NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573056 | 2m4i | 19007 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -30.370 -14.216 -7.910 2 HA2 GLY 1 1HA GLY 1 -31.440 -13.477 -5.890 3 HA3 GLY 1 2HA GLY 1 -31.361 -15.233 -5.960 4 H SER 2 H SER 2 -31.696 -14.948 -3.592 5 HA SER 2 HA SER 2 -29.544 -13.896 -2.020 6 HB2 SER 2 2HB SER 2 -31.759 -15.736 -1.098 7 HB3 SER 2 1HB SER 2 -30.839 -14.583 -0.130 8 HG SER 2 HG SER 2 -31.774 -12.927 -1.521 9 H HIS 3 H HIS 3 -27.740 -14.894 -1.415 10 HA HIS 3 HA HIS 3 -27.643 -17.796 -1.172 11 HB2 HIS 3 2HB HIS 3 -27.017 -17.141 -3.563 12 HB3 HIS 3 1HB HIS 3 -25.595 -16.366 -2.878 13 HD1 HIS 3 HD1 HIS 3 -27.072 -19.712 -3.612 14 HD2 HIS 3 HD2 HIS 3 -23.587 -18.130 -1.984 15 HE1 HIS 3 HE1 HIS 3 -25.443 -21.624 -3.512 16 H MET 4 H MET 4 -26.669 -18.209 0.714 17 HA MET 4 HA MET 4 -25.292 -16.180 2.174 18 HB2 MET 4 2HB MET 4 -26.680 -18.187 3.054 19 HB3 MET 4 1HB MET 4 -25.194 -19.105 2.858 20 HG2 MET 4 2HG MET 4 -25.432 -18.341 5.136 21 HG3 MET 4 1HG MET 4 -24.045 -17.570 4.367 22 HE1 MET 4 3HE MET 4 -28.087 -15.453 5.123 23 HE2 MET 4 1HE MET 4 -27.779 -17.162 5.436 24 HE3 MET 4 2HE MET 4 -27.858 -16.571 3.777 25 H LYS 5 H LYS 5 -23.158 -15.779 2.366 26 HA LYS 5 HA LYS 5 -21.321 -17.493 0.827 27 HB2 LYS 5 2HB LYS 5 -21.064 -14.583 1.597 28 HB3 LYS 5 1HB LYS 5 -19.857 -15.499 0.710 29 HG2 LYS 5 2HG LYS 5 -21.399 -15.783 -1.140 30 HG3 LYS 5 1HG LYS 5 -22.655 -14.928 -0.242 31 HD2 LYS 5 2HD LYS 5 -21.297 -12.913 -0.214 32 HD3 LYS 5 1HD LYS 5 -19.992 -13.762 -1.043 33 HE2 LYS 5 2HE LYS 5 -20.926 -12.850 -2.877 34 HE3 LYS 5 1HE LYS 5 -22.014 -14.226 -2.753 35 HZ1 LYS 5 3HZ LYS 5 -23.406 -12.402 -3.000 36 HZ2 LYS 5 1HZ LYS 5 -22.501 -11.426 -1.961 37 HZ3 LYS 5 2HZ LYS 5 -23.435 -12.680 -1.333 38 H THR 6 H THR 6 -19.366 -18.116 1.707 39 HA THR 6 HA THR 6 -19.247 -18.135 4.612 40 HB THR 6 HB THR 6 -17.061 -19.408 3.088 41 HG1 THR 6 HG1 THR 6 -18.763 -21.191 2.664 42 HG21 THR 6 3HG2 THR 6 -19.004 -20.438 5.160 43 HG22 THR 6 1HG2 THR 6 -17.404 -19.776 5.491 44 HG23 THR 6 2HG2 THR 6 -17.568 -21.280 4.585 45 H LYS 7 H LYS 7 -16.486 -18.265 5.033 46 HA LYS 7 HA LYS 7 -15.814 -15.481 4.877 47 HB2 LYS 7 2HB LYS 7 -14.069 -15.922 6.344 48 HB3 LYS 7 1HB LYS 7 -15.252 -17.142 6.788 49 HG2 LYS 7 2HG LYS 7 -13.947 -18.866 6.064 50 HG3 LYS 7 1HG LYS 7 -13.234 -17.914 4.758 51 HD2 LYS 7 2HD LYS 7 -11.845 -16.719 6.354 52 HD3 LYS 7 1HD LYS 7 -12.596 -17.588 7.692 53 HE2 LYS 7 2HE LYS 7 -11.636 -19.656 6.972 54 HE3 LYS 7 1HE LYS 7 -11.079 -18.932 5.461 55 HZ1 LYS 7 3HZ LYS 7 -9.330 -19.199 7.183 56 HZ2 LYS 7 1HZ LYS 7 -10.148 -18.074 8.143 57 HZ3 LYS 7 2HZ LYS 7 -9.521 -17.610 6.644 58 H LYS 8 H LYS 8 -13.520 -14.871 4.163 59 HA LYS 8 HA LYS 8 -12.967 -16.177 1.607 60 HB2 LYS 8 2HB LYS 8 -12.398 -14.068 0.699 61 HB3 LYS 8 1HB LYS 8 -13.934 -13.872 1.520 62 HG2 LYS 8 2HG LYS 8 -11.573 -13.255 3.167 63 HG3 LYS 8 1HG LYS 8 -11.819 -12.178 1.785 64 HD2 LYS 8 2HD LYS 8 -14.060 -12.855 3.680 65 HD3 LYS 8 1HD LYS 8 -12.920 -11.557 4.027 66 HE2 LYS 8 2HE LYS 8 -13.535 -10.437 1.962 67 HE3 LYS 8 1HE LYS 8 -14.611 -11.766 1.534 68 HZ1 LYS 8 3HZ LYS 8 -15.884 -11.258 3.573 69 HZ2 LYS 8 1HZ LYS 8 -15.896 -9.996 2.447 70 HZ3 LYS 8 2HZ LYS 8 -14.910 -9.898 3.817 71 H GLN 9 H GLN 9 -10.708 -15.934 0.861 72 HA GLN 9 HA GLN 9 -8.868 -16.176 3.145 73 HB2 GLN 9 2HB GLN 9 -8.102 -17.306 0.513 74 HB3 GLN 9 1HB GLN 9 -7.801 -17.923 2.130 75 HG2 GLN 9 2HG GLN 9 -10.431 -18.060 0.673 76 HG3 GLN 9 1HG GLN 9 -9.276 -19.379 0.831 77 HE21 GLN 9 1HE2 GLN 9 -12.078 -19.146 1.723 78 HE22 GLN 9 2HE2 GLN 9 -12.043 -19.473 3.421 79 H GLN 10 H GLN 10 -8.962 -15.225 -0.285 80 HA GLN 10 HA GLN 10 -6.990 -13.130 0.334 81 HB2 GLN 10 2HB GLN 10 -7.024 -14.893 -2.125 82 HB3 GLN 10 1HB GLN 10 -5.936 -13.538 -1.864 83 HG2 GLN 10 2HG GLN 10 -4.606 -14.701 -0.454 84 HG3 GLN 10 1HG GLN 10 -5.947 -15.633 0.215 85 HE21 GLN 10 1HE2 GLN 10 -3.635 -15.380 -2.386 86 HE22 GLN 10 2HE2 GLN 10 -3.835 -16.998 -2.973 87 H TYR 11 H TYR 11 -8.245 -11.337 0.193 88 HA TYR 11 HA TYR 11 -9.741 -10.968 -2.307 89 HB2 TYR 11 2HB TYR 11 -10.653 -10.650 0.463 90 HB3 TYR 11 1HB TYR 11 -11.041 -9.296 -0.599 91 HD1 TYR 11 HD2 TYR 11 -11.344 -12.959 -0.243 92 HD2 TYR 11 HD1 TYR 11 -12.821 -9.459 -2.150 93 HE1 TYR 11 HE2 TYR 11 -13.212 -14.261 -1.168 94 HE2 TYR 11 HE1 TYR 11 -14.693 -10.752 -3.090 95 HH TYR 11 HH TYR 11 -15.408 -13.960 -2.053 96 H VAL 12 H VAL 12 -10.154 -8.680 -2.830 97 HA VAL 12 HA VAL 12 -8.109 -6.845 -1.825 98 HB VAL 12 HB VAL 12 -7.105 -7.753 -3.810 99 HG11 VAL 12 1HG1 VAL 12 -9.087 -8.670 -4.878 100 HG12 VAL 12 2HG1 VAL 12 -8.181 -7.664 -6.009 101 HG13 VAL 12 3HG1 VAL 12 -9.652 -7.043 -5.262 102 HG21 VAL 12 3HG2 VAL 12 -8.265 -5.056 -4.503 103 HG22 VAL 12 1HG2 VAL 12 -6.784 -5.764 -5.142 104 HG23 VAL 12 2HG2 VAL 12 -6.885 -5.323 -3.439 105 H THR 13 H THR 13 -8.767 -4.750 -1.703 106 HA THR 13 HA THR 13 -11.115 -3.845 -3.108 107 HB THR 13 HB THR 13 -12.046 -4.966 -1.081 108 HG1 THR 13 HG1 THR 13 -13.472 -3.485 -1.588 109 HG21 THR 13 3HG2 THR 13 -10.296 -4.555 0.527 110 HG22 THR 13 1HG2 THR 13 -11.785 -3.803 1.099 111 HG23 THR 13 2HG2 THR 13 -10.515 -2.810 0.380 112 H ILE 14 H ILE 14 -11.112 -1.661 -3.409 113 HA ILE 14 HA ILE 14 -9.098 -0.061 -1.988 114 HB ILE 14 HB ILE 14 -9.506 0.056 -4.983 115 HG12 ILE 14 2HG1 ILE 14 -7.119 -1.054 -3.494 116 HG13 ILE 14 1HG1 ILE 14 -8.393 -2.056 -4.181 117 HG21 ILE 14 1HG2 ILE 14 -7.691 1.592 -5.026 118 HG22 ILE 14 2HG2 ILE 14 -7.331 1.311 -3.324 119 HG23 ILE 14 3HG2 ILE 14 -8.811 2.152 -3.784 120 HD11 ILE 14 3HD1 ILE 14 -6.497 -0.261 -5.673 121 HD12 ILE 14 1HD1 ILE 14 -7.850 -1.125 -6.408 122 HD13 ILE 14 2HD1 ILE 14 -6.526 -2.025 -5.672 123 H LYS 15 H LYS 15 -10.137 1.597 -1.070 124 HA LYS 15 HA LYS 15 -12.573 2.623 -2.361 125 HB2 LYS 15 2HB LYS 15 -12.877 1.728 -0.104 126 HB3 LYS 15 1HB LYS 15 -11.645 2.824 0.505 127 HG2 LYS 15 2HG LYS 15 -13.151 4.709 -0.369 128 HG3 LYS 15 1HG LYS 15 -14.408 3.476 -0.474 129 HD2 LYS 15 2HD LYS 15 -13.977 2.941 1.923 130 HD3 LYS 15 1HD LYS 15 -12.886 4.325 1.980 131 HE2 LYS 15 2HE LYS 15 -14.996 5.045 2.845 132 HE3 LYS 15 1HE LYS 15 -14.802 5.757 1.241 133 HZ1 LYS 15 3HZ LYS 15 -17.026 4.893 1.499 134 HZ2 LYS 15 1HZ LYS 15 -16.435 3.365 1.913 135 HZ3 LYS 15 2HZ LYS 15 -16.207 3.962 0.351 136 H GLY 16 H GLY 16 -12.208 4.338 -3.532 137 HA2 GLY 16 2HA GLY 16 -10.946 6.673 -2.350 138 HA3 GLY 16 1HA GLY 16 -10.151 6.027 -3.781 139 H THR 17 H THR 17 -13.364 6.928 -2.620 140 HA THR 17 HA THR 17 -13.995 7.833 -5.336 141 HB THR 17 HB THR 17 -15.555 6.179 -4.981 142 HG1 THR 17 HG1 THR 17 -16.865 7.843 -5.461 143 HG21 THR 17 3HG2 THR 17 -15.760 7.026 -2.087 144 HG22 THR 17 1HG2 THR 17 -15.001 5.555 -2.702 145 HG23 THR 17 2HG2 THR 17 -16.745 5.780 -2.842 146 H LYS 18 H LYS 18 -15.312 8.573 -2.093 147 HA LYS 18 HA LYS 18 -15.029 11.432 -2.760 148 HB2 LYS 18 2HB LYS 18 -17.055 10.187 -0.892 149 HB3 LYS 18 1HB LYS 18 -16.983 11.868 -1.398 150 HG2 LYS 18 2HG LYS 18 -18.171 11.463 -3.225 151 HG3 LYS 18 1HG LYS 18 -17.172 10.076 -3.660 152 HD2 LYS 18 2HD LYS 18 -19.476 9.378 -3.310 153 HD3 LYS 18 1HD LYS 18 -18.434 8.692 -2.061 154 HE2 LYS 18 2HE LYS 18 -19.133 10.518 -0.539 155 HE3 LYS 18 1HE LYS 18 -20.235 11.100 -1.788 156 HZ1 LYS 18 3HZ LYS 18 -21.441 9.756 -0.236 157 HZ2 LYS 18 1HZ LYS 18 -20.352 8.476 -0.407 158 HZ3 LYS 18 2HZ LYS 18 -21.347 8.915 -1.698 159 H ASN 19 H ASN 19 -13.338 9.346 -1.355 160 HA ASN 19 HA ASN 19 -12.881 10.862 1.112 161 HB2 ASN 19 2HB ASN 19 -12.398 7.890 0.968 162 HB3 ASN 19 1HB ASN 19 -12.589 8.905 2.395 163 HD21 ASN 19 1HD2 ASN 19 -14.649 9.594 2.991 164 HD22 ASN 19 2HD2 ASN 19 -16.068 8.754 2.455 165 H GLY 20 H GLY 20 -10.581 9.554 1.949 166 HA2 GLY 20 2HA GLY 20 -8.632 10.635 0.173 167 HA3 GLY 20 1HA GLY 20 -8.314 9.745 1.655 168 H LEU 21 H LEU 21 -7.848 7.586 1.566 169 HA LEU 21 HA LEU 21 -8.278 6.030 -0.796 170 HB2 LEU 21 2HB LEU 21 -6.360 7.222 -1.599 171 HB3 LEU 21 1HB LEU 21 -5.492 6.943 -0.103 172 HG LEU 21 HG LEU 21 -5.540 4.481 -0.652 173 HD11 LEU 21 1HD1 LEU 21 -5.887 3.895 -3.017 174 HD12 LEU 21 2HD1 LEU 21 -6.473 5.532 -3.314 175 HD13 LEU 21 3HD1 LEU 21 -7.363 4.461 -2.231 176 HD21 LEU 21 3HD2 LEU 21 -4.114 6.333 -2.556 177 HD22 LEU 21 1HD2 LEU 21 -3.700 4.645 -2.262 178 HD23 LEU 21 2HD2 LEU 21 -3.544 5.829 -0.965 179 H THR 22 H THR 22 -9.168 4.438 0.394 180 HA THR 22 HA THR 22 -7.501 3.234 2.512 181 HB THR 22 HB THR 22 -10.432 2.681 2.359 182 HG1 THR 22 HG1 THR 22 -9.282 5.164 2.831 183 HG21 THR 22 3HG2 THR 22 -8.943 1.550 3.995 184 HG22 THR 22 1HG2 THR 22 -10.208 2.507 4.765 185 HG23 THR 22 2HG2 THR 22 -8.557 3.125 4.687 186 H LEU 23 H LEU 23 -6.472 1.542 1.586 187 HA LEU 23 HA LEU 23 -8.121 -0.329 0.028 188 HB2 LEU 23 2HB LEU 23 -6.183 -0.825 -1.386 189 HB3 LEU 23 1HB LEU 23 -6.686 0.848 -1.524 190 HG LEU 23 HG LEU 23 -4.453 0.127 0.332 191 HD11 LEU 23 1HD1 LEU 23 -4.414 -0.017 -2.584 192 HD12 LEU 23 2HD1 LEU 23 -3.374 -0.792 -1.399 193 HD13 LEU 23 3HD1 LEU 23 -3.102 0.894 -1.845 194 HD21 LEU 23 3HD2 LEU 23 -4.073 2.332 0.404 195 HD22 LEU 23 1HD2 LEU 23 -5.714 2.473 -0.223 196 HD23 LEU 23 2HD2 LEU 23 -4.340 2.530 -1.326 197 H HIS 24 H HIS 24 -7.685 -2.493 0.247 198 HA HIS 24 HA HIS 24 -5.691 -3.293 2.230 199 HB2 HIS 24 2HB HIS 24 -7.555 -3.152 3.658 200 HB3 HIS 24 1HB HIS 24 -8.662 -3.736 2.425 201 HD1 HIS 24 HD1 HIS 24 -9.595 -5.843 3.348 202 HD2 HIS 24 HD2 HIS 24 -5.482 -5.606 3.905 203 HE1 HIS 24 HE1 HIS 24 -8.914 -8.064 4.303 204 H LEU 25 H LEU 25 -4.474 -4.718 1.192 205 HA LEU 25 HA LEU 25 -5.753 -6.592 -0.676 206 HB2 LEU 25 2HB LEU 25 -3.892 -5.048 -1.485 207 HB3 LEU 25 1HB LEU 25 -2.807 -5.952 -0.452 208 HG LEU 25 HG LEU 25 -2.996 -6.492 -3.009 209 HD11 LEU 25 1HD1 LEU 25 -2.898 -8.595 -0.859 210 HD12 LEU 25 2HD1 LEU 25 -1.543 -7.678 -1.518 211 HD13 LEU 25 3HD1 LEU 25 -2.398 -8.838 -2.533 212 HD21 LEU 25 3HD2 LEU 25 -5.464 -6.837 -2.904 213 HD22 LEU 25 1HD2 LEU 25 -5.171 -8.276 -1.926 214 HD23 LEU 25 2HD2 LEU 25 -4.566 -8.195 -3.580 215 H ASP 26 H ASP 26 -5.809 -8.699 -0.108 216 HA ASP 26 HA ASP 26 -4.137 -9.541 2.171 217 HB2 ASP 26 2HB ASP 26 -6.878 -9.347 2.199 218 HB3 ASP 26 1HB ASP 26 -6.641 -11.033 1.755 219 H ASP 27 H ASP 27 -2.605 -10.212 0.515 220 HA ASP 27 HA ASP 27 -3.066 -12.952 -0.288 221 HB2 ASP 27 2HB ASP 27 -3.839 -11.162 -2.140 222 HB3 ASP 27 1HB ASP 27 -2.123 -11.241 -2.531 223 H ALA 28 H ALA 28 -1.193 -14.092 -0.337 224 HA ALA 28 HA ALA 28 1.276 -12.568 0.170 225 HB1 ALA 28 1HB ALA 28 0.425 -15.324 1.026 226 HB2 ALA 28 2HB ALA 28 2.092 -14.759 1.148 227 HB3 ALA 28 3HB ALA 28 0.814 -13.930 2.037 228 H CYS 29 H CYS 29 3.140 -13.040 -0.915 229 HA CYS 29 HA CYS 29 4.461 -13.555 -2.679 230 HB2 CYS 29 2HB CYS 29 2.944 -16.112 -2.310 231 HB3 CYS 29 1HB CYS 29 4.097 -15.943 -3.629 232 HG CYS 29 HG CYS 29 6.303 -16.052 -2.221 233 H SER 30 H SER 30 1.692 -12.382 -3.184 234 HA SER 30 HA SER 30 1.547 -13.045 -6.047 235 HB2 SER 30 2HB SER 30 -0.694 -11.922 -4.352 236 HB3 SER 30 1HB SER 30 -0.804 -12.522 -6.005 237 HG SER 30 HG SER 30 -1.109 -13.890 -3.749 238 H PHE 31 H PHE 31 1.151 -11.302 -7.505 239 HA PHE 31 HA PHE 31 2.539 -8.912 -6.739 240 HB2 PHE 31 2HB PHE 31 1.996 -8.208 -9.127 241 HB3 PHE 31 1HB PHE 31 2.997 -9.640 -8.932 242 HD1 PHE 31 HD2 PHE 31 -0.481 -8.530 -9.611 243 HD2 PHE 31 HD1 PHE 31 2.388 -11.661 -9.906 244 HE1 PHE 31 HE2 PHE 31 -2.014 -9.795 -11.054 245 HE2 PHE 31 HE1 PHE 31 0.858 -12.926 -11.356 246 HZ PHE 31 HZ PHE 31 -1.345 -11.993 -11.930 247 H ASP 32 H ASP 32 1.766 -6.828 -6.693 248 HA ASP 32 HA ASP 32 -1.147 -6.573 -6.348 249 HB2 ASP 32 2HB ASP 32 -0.445 -4.567 -4.853 250 HB3 ASP 32 1HB ASP 32 -0.290 -6.197 -4.203 251 H GLU 33 H GLU 33 0.403 -6.236 -8.796 252 HA GLU 33 HA GLU 33 0.871 -3.543 -9.402 253 HB2 GLU 33 2HB GLU 33 0.805 -4.209 -11.754 254 HB3 GLU 33 1HB GLU 33 1.721 -5.362 -10.797 255 HG2 GLU 33 2HG GLU 33 -0.326 -6.802 -10.742 256 HG3 GLU 33 1HG GLU 33 -1.059 -5.683 -11.886 257 H LEU 34 H LEU 34 -2.100 -5.363 -9.293 258 HA LEU 34 HA LEU 34 -3.604 -3.296 -10.665 259 HB2 LEU 34 2HB LEU 34 -4.333 -5.921 -9.401 260 HB3 LEU 34 1HB LEU 34 -5.579 -4.759 -9.809 261 HG LEU 34 HG LEU 34 -5.570 -6.164 -11.644 262 HD11 LEU 34 1HD1 LEU 34 -5.246 -3.747 -12.249 263 HD12 LEU 34 2HD1 LEU 34 -4.798 -4.913 -13.495 264 HD13 LEU 34 3HD1 LEU 34 -3.547 -4.125 -12.536 265 HD21 LEU 34 3HD2 LEU 34 -2.689 -6.440 -11.056 266 HD22 LEU 34 1HD2 LEU 34 -3.178 -6.603 -12.744 267 HD23 LEU 34 2HD2 LEU 34 -3.880 -7.655 -11.517 268 H LEU 35 H LEU 35 -2.304 -3.612 -7.679 269 HA LEU 35 HA LEU 35 -4.488 -2.214 -6.311 270 HB2 LEU 35 2HB LEU 35 -3.615 -4.240 -5.232 271 HB3 LEU 35 1HB LEU 35 -2.013 -3.532 -5.212 272 HG LEU 35 HG LEU 35 -3.295 -1.629 -3.851 273 HD11 LEU 35 1HD1 LEU 35 -4.898 -2.694 -2.307 274 HD12 LEU 35 2HD1 LEU 35 -4.859 -4.142 -3.314 275 HD13 LEU 35 3HD1 LEU 35 -5.473 -2.628 -3.972 276 HD21 LEU 35 3HD2 LEU 35 -1.346 -2.749 -3.044 277 HD22 LEU 35 1HD2 LEU 35 -2.246 -4.242 -2.782 278 HD23 LEU 35 2HD2 LEU 35 -2.585 -2.822 -1.790 279 H ASP 36 H ASP 36 -0.958 -2.091 -6.744 280 HA ASP 36 HA ASP 36 -0.630 0.456 -5.575 281 HB2 ASP 36 2HB ASP 36 1.591 0.232 -6.058 282 HB3 ASP 36 1HB ASP 36 1.111 -1.446 -6.276 283 H GLY 37 H GLY 37 -1.501 -0.565 -8.796 284 HA2 GLY 37 2HA GLY 37 -0.987 1.814 -10.196 285 HA3 GLY 37 1HA GLY 37 -2.205 0.623 -10.635 286 H LEU 38 H LEU 38 -4.024 0.690 -8.728 287 HA LEU 38 HA LEU 38 -5.432 3.094 -9.197 288 HB2 LEU 38 2HB LEU 38 -5.883 0.673 -7.512 289 HB3 LEU 38 1HB LEU 38 -6.866 2.096 -7.213 290 HG LEU 38 HG LEU 38 -7.401 2.013 -9.736 291 HD11 LEU 38 1HD1 LEU 38 -6.277 -0.742 -9.303 292 HD12 LEU 38 2HD1 LEU 38 -5.777 0.457 -10.495 293 HD13 LEU 38 3HD1 LEU 38 -7.353 -0.319 -10.633 294 HD21 LEU 38 3HD2 LEU 38 -9.302 0.673 -9.344 295 HD22 LEU 38 1HD2 LEU 38 -8.916 1.430 -7.799 296 HD23 LEU 38 2HD2 LEU 38 -8.485 -0.256 -8.088 297 H GLN 39 H GLN 39 -3.497 1.912 -6.531 298 HA GLN 39 HA GLN 39 -4.115 3.708 -4.527 299 HB2 GLN 39 2HB GLN 39 -2.669 1.975 -3.918 300 HB3 GLN 39 1HB GLN 39 -1.609 2.244 -5.289 301 HG2 GLN 39 2HG GLN 39 -1.614 4.557 -3.591 302 HG3 GLN 39 1HG GLN 39 -1.257 3.108 -2.649 303 HE21 GLN 39 1HE2 GLN 39 0.606 1.912 -3.127 304 HE22 GLN 39 2HE2 GLN 39 1.909 2.558 -4.076 305 H ASN 40 H ASN 40 -1.639 4.048 -7.051 306 HA ASN 40 HA ASN 40 -0.957 6.712 -6.272 307 HB2 ASN 40 2HB ASN 40 0.285 4.808 -7.778 308 HB3 ASN 40 1HB ASN 40 -0.308 5.895 -9.031 309 HD21 ASN 40 1HD2 ASN 40 1.712 5.596 -6.216 310 HD22 ASN 40 2HD2 ASN 40 2.669 7.008 -6.514 311 H MET 41 H MET 41 -2.952 5.310 -8.822 312 HA MET 41 HA MET 41 -3.522 7.600 -10.286 313 HB2 MET 41 2HB MET 41 -4.093 5.307 -10.994 314 HB3 MET 41 1HB MET 41 -5.343 5.247 -9.759 315 HG2 MET 41 2HG MET 41 -6.421 7.209 -10.888 316 HG3 MET 41 1HG MET 41 -5.256 7.004 -12.195 317 HE1 MET 41 3HE MET 41 -7.229 6.771 -13.962 318 HE2 MET 41 1HE MET 41 -8.395 7.011 -12.659 319 HE3 MET 41 2HE MET 41 -8.579 5.655 -13.772 320 H LEU 42 H LEU 42 -5.313 6.249 -7.519 321 HA LEU 42 HA LEU 42 -7.311 8.264 -7.536 322 HB2 LEU 42 2HB LEU 42 -6.455 6.425 -5.306 323 HB3 LEU 42 1HB LEU 42 -7.923 7.383 -5.324 324 HG LEU 42 HG LEU 42 -7.332 5.289 -7.406 325 HD11 LEU 42 1HD1 LEU 42 -7.369 4.275 -5.164 326 HD12 LEU 42 2HD1 LEU 42 -8.725 3.763 -6.172 327 HD13 LEU 42 3HD1 LEU 42 -8.970 4.962 -4.904 328 HD21 LEU 42 3HD2 LEU 42 -9.868 6.670 -6.547 329 HD22 LEU 42 1HD2 LEU 42 -9.758 5.389 -7.754 330 HD23 LEU 42 2HD2 LEU 42 -8.980 6.944 -8.047 331 H SER 43 H SER 43 -4.299 7.885 -5.700 332 HA SER 43 HA SER 43 -4.627 10.060 -3.966 333 HB2 SER 43 2HB SER 43 -2.067 8.904 -5.103 334 HB3 SER 43 1HB SER 43 -2.170 9.975 -3.703 335 HG SER 43 HG SER 43 -2.940 7.293 -3.970 336 H ILE 44 H ILE 44 -3.363 9.900 -7.257 337 HA ILE 44 HA ILE 44 -2.585 12.671 -7.283 338 HB ILE 44 HB ILE 44 -2.829 10.651 -9.522 339 HG12 ILE 44 2HG1 ILE 44 -0.400 11.822 -8.147 340 HG13 ILE 44 1HG1 ILE 44 -1.053 10.214 -7.854 341 HG21 ILE 44 1HG2 ILE 44 -1.659 12.234 -10.938 342 HG22 ILE 44 2HG2 ILE 44 -1.625 13.414 -9.629 343 HG23 ILE 44 3HG2 ILE 44 -3.163 12.944 -10.350 344 HD11 ILE 44 3HD1 ILE 44 0.859 10.088 -9.309 345 HD12 ILE 44 1HD1 ILE 44 0.117 11.227 -10.432 346 HD13 ILE 44 2HD1 ILE 44 -0.597 9.632 -10.195 347 H GLU 45 H GLU 45 -5.330 10.751 -8.316 348 HA GLU 45 HA GLU 45 -6.614 12.729 -9.861 349 HB2 GLU 45 2HB GLU 45 -7.104 10.243 -9.839 350 HB3 GLU 45 1HB GLU 45 -7.992 10.514 -8.345 351 HG2 GLU 45 2HG GLU 45 -9.654 10.571 -9.935 352 HG3 GLU 45 1HG GLU 45 -9.291 12.281 -9.712 353 H GLN 46 H GLN 46 -7.622 11.534 -6.635 354 HA GLN 46 HA GLN 46 -7.990 14.169 -5.620 355 HB2 GLN 46 2HB GLN 46 -9.933 14.357 -6.909 356 HB3 GLN 46 1HB GLN 46 -10.359 12.667 -6.682 357 HG2 GLN 46 2HG GLN 46 -10.359 13.801 -4.115 358 HG3 GLN 46 1HG GLN 46 -11.185 14.959 -5.161 359 HE21 GLN 46 1HE2 GLN 46 -11.097 11.560 -4.223 360 HE22 GLN 46 2HE2 GLN 46 -12.781 11.254 -4.498 361 H TYR 47 H TYR 47 -7.505 13.945 -3.545 362 HA TYR 47 HA TYR 47 -8.446 11.557 -2.101 363 HB2 TYR 47 2HB TYR 47 -6.496 11.828 -0.608 364 HB3 TYR 47 1HB TYR 47 -6.000 11.574 -2.275 365 HD1 TYR 47 HD1 TYR 47 -5.248 13.587 -3.629 366 HD2 TYR 47 HD2 TYR 47 -5.794 13.731 0.585 367 HE1 TYR 47 HE1 TYR 47 -3.839 15.600 -3.517 368 HE2 TYR 47 HE2 TYR 47 -4.393 15.744 0.707 369 HH TYR 47 HH TYR 47 -3.651 17.620 -1.863 370 H THR 48 H THR 48 -9.531 14.285 -2.681 371 HA THR 48 HA THR 48 -9.655 15.657 -0.171 372 HB THR 48 HB THR 48 -11.617 16.268 -2.299 373 HG1 THR 48 HG1 THR 48 -9.531 17.384 -3.275 374 HG21 THR 48 3HG2 THR 48 -11.294 17.718 -0.348 375 HG22 THR 48 1HG2 THR 48 -10.875 18.555 -1.840 376 HG23 THR 48 2HG2 THR 48 -9.600 17.936 -0.790 377 H ASP 49 H ASP 49 -10.658 14.425 1.367 378 HA ASP 49 HA ASP 49 -13.119 13.014 0.830 379 HB2 ASP 49 2HB ASP 49 -11.602 12.017 2.413 380 HB3 ASP 49 1HB ASP 49 -11.545 13.491 3.368 381 H GLY 50 H GLY 50 -12.176 15.759 2.892 382 HA2 GLY 50 2HA GLY 50 -13.548 17.770 2.841 383 HA3 GLY 50 1HA GLY 50 -14.953 16.723 2.689 384 H LYS 51 H LYS 51 -13.965 14.832 4.706 385 HA LYS 51 HA LYS 51 -14.511 16.483 7.077 386 HB2 LYS 51 2HB LYS 51 -15.112 13.543 6.770 387 HB3 LYS 51 1HB LYS 51 -15.592 14.586 8.098 388 HG2 LYS 51 2HG LYS 51 -17.545 14.574 6.980 389 HG3 LYS 51 1HG LYS 51 -16.775 15.903 6.114 390 HD2 LYS 51 2HD LYS 51 -15.877 13.813 4.661 391 HD3 LYS 51 1HD LYS 51 -17.413 13.158 5.219 392 HE2 LYS 51 2HE LYS 51 -18.624 14.960 4.230 393 HE3 LYS 51 1HE LYS 51 -17.140 15.838 3.872 394 HZ1 LYS 51 3HZ LYS 51 -17.824 13.202 2.704 395 HZ2 LYS 51 1HZ LYS 51 -16.530 14.202 2.271 396 HZ3 LYS 51 2HZ LYS 51 -18.120 14.677 1.939 397 H GLY 52 H GLY 52 -12.834 13.700 5.872 398 HA2 GLY 52 2HA GLY 52 -10.414 14.244 7.206 399 HA3 GLY 52 1HA GLY 52 -11.318 13.057 8.140 400 H GLN 53 H GLN 53 -9.752 13.720 5.093 401 HA GLN 53 HA GLN 53 -10.293 11.387 3.714 402 HB2 GLN 53 2HB GLN 53 -7.798 11.845 2.823 403 HB3 GLN 53 1HB GLN 53 -9.198 12.757 2.289 404 HG2 GLN 53 2HG GLN 53 -7.607 13.694 4.633 405 HG3 GLN 53 1HG GLN 53 -7.043 13.989 2.989 406 HE21 GLN 53 1HE2 GLN 53 -8.271 15.313 1.625 407 HE22 GLN 53 2HE2 GLN 53 -9.436 16.432 2.258 408 H LYS 54 H LYS 54 -10.039 9.384 4.302 409 HA LYS 54 HA LYS 54 -7.981 8.640 6.201 410 HB2 LYS 54 2HB LYS 54 -10.430 7.867 6.260 411 HB3 LYS 54 1HB LYS 54 -10.014 6.818 4.910 412 HG2 LYS 54 2HG LYS 54 -8.425 5.627 6.244 413 HG3 LYS 54 1HG LYS 54 -8.613 6.771 7.576 414 HD2 LYS 54 2HD LYS 54 -11.026 6.103 7.689 415 HD3 LYS 54 1HD LYS 54 -10.669 4.836 6.516 416 HE2 LYS 54 2HE LYS 54 -9.147 3.773 8.032 417 HE3 LYS 54 1HE LYS 54 -9.269 5.112 9.169 418 HZ1 LYS 54 3HZ LYS 54 -11.547 4.560 9.584 419 HZ2 LYS 54 1HZ LYS 54 -10.613 3.169 9.803 420 HZ3 LYS 54 2HZ LYS 54 -11.531 3.359 8.400 421 H ILE 55 H ILE 55 -6.058 8.612 5.128 422 HA ILE 55 HA ILE 55 -5.882 7.046 2.644 423 HB ILE 55 HB ILE 55 -3.657 8.746 3.749 424 HG12 ILE 55 2HG1 ILE 55 -5.900 9.672 1.930 425 HG13 ILE 55 1HG1 ILE 55 -5.645 10.195 3.594 426 HG21 ILE 55 1HG2 ILE 55 -3.384 7.039 1.856 427 HG22 ILE 55 2HG2 ILE 55 -2.772 8.671 1.584 428 HG23 ILE 55 3HG2 ILE 55 -4.307 8.177 0.876 429 HD11 ILE 55 3HD1 ILE 55 -4.859 11.896 2.122 430 HD12 ILE 55 1HD1 ILE 55 -3.879 10.738 1.222 431 HD13 ILE 55 2HD1 ILE 55 -3.461 11.143 2.889 432 H SER 56 H SER 56 -6.163 5.168 4.132 433 HA SER 56 HA SER 56 -3.672 4.464 5.519 434 HB2 SER 56 2HB SER 56 -6.426 3.245 5.820 435 HB3 SER 56 1HB SER 56 -4.999 2.841 6.774 436 HG SER 56 HG SER 56 -5.517 5.520 6.752 437 H VAL 57 H VAL 57 -2.395 3.513 4.067 438 HA VAL 57 HA VAL 57 -3.474 1.574 2.183 439 HB VAL 57 HB VAL 57 -0.568 2.317 2.531 440 HG11 VAL 57 1HG1 VAL 57 -1.574 0.313 1.093 441 HG12 VAL 57 2HG1 VAL 57 -0.176 1.247 0.557 442 HG13 VAL 57 3HG1 VAL 57 -1.779 1.610 -0.084 443 HG21 VAL 57 3HG2 VAL 57 -2.585 3.661 0.733 444 HG22 VAL 57 1HG2 VAL 57 -0.857 4.002 0.795 445 HG23 VAL 57 2HG2 VAL 57 -1.877 4.368 2.185 446 H HIS 58 H HIS 58 -4.041 -0.197 3.397 447 HA HIS 58 HA HIS 58 -1.970 -1.349 5.130 448 HB2 HIS 58 2HB HIS 58 -4.953 -1.802 5.006 449 HB3 HIS 58 1HB HIS 58 -3.867 -2.790 5.979 450 HD1 HIS 58 HD1 HIS 58 -5.967 -1.342 7.509 451 HD2 HIS 58 HD2 HIS 58 -2.307 0.397 6.595 452 HE1 HIS 58 HE1 HIS 58 -5.658 0.506 9.185 453 H VAL 59 H VAL 59 -0.682 -2.351 3.672 454 HA VAL 59 HA VAL 59 -1.857 -4.252 1.792 455 HB VAL 59 HB VAL 59 0.866 -4.465 1.452 456 HG11 VAL 59 1HG1 VAL 59 -0.796 -4.253 -0.308 457 HG12 VAL 59 2HG1 VAL 59 0.514 -3.098 -0.551 458 HG13 VAL 59 3HG1 VAL 59 -1.029 -2.553 0.099 459 HG21 VAL 59 3HG2 VAL 59 1.157 -2.566 3.071 460 HG22 VAL 59 1HG2 VAL 59 0.318 -1.534 1.909 461 HG23 VAL 59 2HG2 VAL 59 1.850 -2.292 1.475 462 H LYS 60 H LYS 60 -2.560 -5.773 3.330 463 HA LYS 60 HA LYS 60 -0.612 -7.069 5.034 464 HB2 LYS 60 2HB LYS 60 -3.514 -7.751 4.504 465 HB3 LYS 60 1HB LYS 60 -2.504 -8.472 5.748 466 HG2 LYS 60 2HG LYS 60 -3.114 -5.530 5.634 467 HG3 LYS 60 1HG LYS 60 -4.095 -6.692 6.524 468 HD2 LYS 60 2HD LYS 60 -2.712 -6.098 8.218 469 HD3 LYS 60 1HD LYS 60 -1.680 -7.332 7.494 470 HE2 LYS 60 2HE LYS 60 -0.717 -5.409 6.090 471 HE3 LYS 60 1HE LYS 60 -1.493 -4.348 7.262 472 HZ1 LYS 60 3HZ LYS 60 0.949 -5.109 7.613 473 HZ2 LYS 60 1HZ LYS 60 0.237 -6.519 8.216 474 HZ3 LYS 60 2HZ LYS 60 -0.103 -5.029 8.934 475 H LEU 61 H LEU 61 0.672 -7.520 3.051 476 HA LEU 61 HA LEU 61 -0.241 -9.627 1.308 477 HB2 LEU 61 2HB LEU 61 2.509 -8.422 1.652 478 HB3 LEU 61 1HB LEU 61 2.020 -9.495 0.357 479 HG LEU 61 HG LEU 61 0.372 -7.073 0.612 480 HD11 LEU 61 1HD1 LEU 61 2.047 -5.629 -0.435 481 HD12 LEU 61 2HD1 LEU 61 3.262 -6.893 -0.235 482 HD13 LEU 61 3HD1 LEU 61 2.540 -6.129 1.182 483 HD21 LEU 61 3HD2 LEU 61 0.626 -7.095 -1.816 484 HD22 LEU 61 1HD2 LEU 61 0.131 -8.676 -1.209 485 HD23 LEU 61 2HD2 LEU 61 1.806 -8.401 -1.684 486 H GLY 62 H GLY 62 2.670 -9.421 3.330 487 HA2 GLY 62 2HA GLY 62 2.822 -11.140 5.156 488 HA3 GLY 62 1HA GLY 62 2.363 -12.290 3.905 489 H ASN 63 H ASN 63 4.037 -13.410 3.127 490 HA ASN 63 HA ASN 63 6.727 -12.374 3.476 491 HB2 ASN 63 2HB ASN 63 7.494 -14.569 2.889 492 HB3 ASN 63 1HB ASN 63 6.134 -14.759 3.988 493 HD21 ASN 63 1HD2 ASN 63 7.331 -16.522 1.877 494 HD22 ASN 63 2HD2 ASN 63 5.992 -16.966 0.876 495 H ARG 64 H ARG 64 4.783 -11.253 1.483 496 HA ARG 64 HA ARG 64 5.701 -11.945 -1.120 497 HB2 ARG 64 2HB ARG 64 3.497 -10.773 -0.407 498 HB3 ARG 64 1HB ARG 64 4.452 -9.297 -0.435 499 HG2 ARG 64 2HG ARG 64 4.842 -10.849 -2.839 500 HG3 ARG 64 1HG ARG 64 3.138 -10.486 -2.572 501 HD2 ARG 64 2HD ARG 64 3.428 -8.359 -3.180 502 HD3 ARG 64 1HD ARG 64 4.788 -8.165 -2.073 503 HE ARG 64 HE ARG 64 6.029 -9.428 -3.980 504 HH11 ARG 64 1HH1 ARG 64 3.573 -6.921 -4.367 505 HH12 ARG 64 2HH1 ARG 64 4.189 -6.420 -5.915 506 HH21 ARG 64 1HH2 ARG 64 6.796 -8.768 -5.996 507 HH22 ARG 64 2HH2 ARG 64 6.017 -7.466 -6.846 508 H PHE 65 H PHE 65 6.689 -9.659 1.321 509 HA PHE 65 HA PHE 65 8.410 -8.185 1.487 510 HB2 PHE 65 2HB PHE 65 9.565 -10.433 0.913 511 HB3 PHE 65 1HB PHE 65 9.835 -9.720 -0.671 512 HD1 PHE 65 HD2 PHE 65 10.433 -9.156 2.953 513 HD2 PHE 65 HD1 PHE 65 11.661 -8.324 -1.037 514 HE1 PHE 65 HE2 PHE 65 12.456 -8.045 3.811 515 HE2 PHE 65 HE1 PHE 65 13.685 -7.212 -0.186 516 HZ PHE 65 HZ PHE 65 14.082 -7.070 2.241 517 H LEU 66 H LEU 66 6.918 -6.638 0.491 518 HA LEU 66 HA LEU 66 7.273 -6.020 -2.296 519 HB2 LEU 66 2HB LEU 66 5.105 -5.700 -1.179 520 HB3 LEU 66 1HB LEU 66 5.828 -4.500 -0.127 521 HG LEU 66 HG LEU 66 6.229 -3.024 -2.036 522 HD11 LEU 66 1HD1 LEU 66 4.965 -5.245 -3.632 523 HD12 LEU 66 2HD1 LEU 66 6.598 -4.606 -3.794 524 HD13 LEU 66 3HD1 LEU 66 5.214 -3.609 -4.232 525 HD21 LEU 66 3HD2 LEU 66 4.031 -3.064 -0.783 526 HD22 LEU 66 1HD2 LEU 66 3.385 -3.977 -2.146 527 HD23 LEU 66 2HD2 LEU 66 3.997 -2.343 -2.392 528 H TYR 67 H TYR 67 8.110 -4.090 -3.126 529 HA TYR 67 HA TYR 67 10.444 -3.153 -1.742 530 HB2 TYR 67 2HB TYR 67 9.262 -2.687 -4.454 531 HB3 TYR 67 1HB TYR 67 10.499 -1.591 -3.848 532 HD1 TYR 67 HD2 TYR 67 9.844 -5.230 -4.328 533 HD2 TYR 67 HD1 TYR 67 12.732 -2.105 -4.180 534 HE1 TYR 67 HE2 TYR 67 11.597 -6.818 -5.004 535 HE2 TYR 67 HE1 TYR 67 14.489 -3.687 -4.853 536 HH TYR 67 HH TYR 67 13.814 -6.764 -6.089 537 H LYS 68 H LYS 68 9.400 -2.236 0.085 538 HA LYS 68 HA LYS 68 7.506 -0.212 0.061 539 HB2 LYS 68 2HB LYS 68 8.340 -1.402 2.101 540 HB3 LYS 68 1HB LYS 68 9.805 -0.430 2.014 541 HG2 LYS 68 2HG LYS 68 8.098 1.576 2.020 542 HG3 LYS 68 1HG LYS 68 7.033 0.387 2.769 543 HD2 LYS 68 2HD LYS 68 8.077 1.493 4.549 544 HD3 LYS 68 1HD LYS 68 8.930 -0.047 4.413 545 HE2 LYS 68 2HE LYS 68 10.828 0.966 3.471 546 HE3 LYS 68 1HE LYS 68 9.933 2.414 3.010 547 HZ1 LYS 68 3HZ LYS 68 10.939 3.231 4.832 548 HZ2 LYS 68 1HZ LYS 68 11.136 1.714 5.568 549 HZ3 LYS 68 2HZ LYS 68 9.642 2.505 5.636 550 H GLU 69 H GLU 69 10.958 -0.049 -0.473 551 HA GLU 69 HA GLU 69 11.294 2.717 -0.217 552 HB2 GLU 69 2HB GLU 69 12.833 0.825 -1.998 553 HB3 GLU 69 1HB GLU 69 13.366 2.416 -1.459 554 HG2 GLU 69 2HG GLU 69 12.928 1.348 0.921 555 HG3 GLU 69 1HG GLU 69 13.209 -0.149 0.029 556 H GLN 70 H GLN 70 9.962 0.824 -2.821 557 HA GLN 70 HA GLN 70 10.224 2.844 -4.831 558 HB2 GLN 70 2HB GLN 70 8.740 0.259 -4.590 559 HB3 GLN 70 1HB GLN 70 8.308 1.376 -5.879 560 HG2 GLN 70 2HG GLN 70 11.101 0.331 -5.425 561 HG3 GLN 70 1HG GLN 70 9.945 -0.386 -6.548 562 HE21 GLN 70 1HE2 GLN 70 9.262 0.853 -8.353 563 HE22 GLN 70 2HE2 GLN 70 10.269 2.108 -8.984 564 H GLU 71 H GLU 71 7.753 1.913 -2.517 565 HA GLU 71 HA GLU 71 5.862 3.852 -3.549 566 HB2 GLU 71 2HB GLU 71 5.668 2.217 -1.013 567 HB3 GLU 71 1HB GLU 71 4.356 3.031 -1.853 568 HG2 GLU 71 2HG GLU 71 5.899 0.619 -2.768 569 HG3 GLU 71 1HG GLU 71 4.198 0.702 -2.311 570 H GLU 72 H GLU 72 8.152 3.513 -0.960 571 HA GLU 72 HA GLU 72 7.299 5.605 0.709 572 HB2 GLU 72 2HB GLU 72 8.881 3.856 1.409 573 HB3 GLU 72 1HB GLU 72 10.083 4.499 0.298 574 HG2 GLU 72 2HG GLU 72 10.243 6.530 1.569 575 HG3 GLU 72 1HG GLU 72 8.932 6.008 2.626 576 H GLN 73 H GLN 73 9.536 5.582 -2.052 577 HA GLN 73 HA GLN 73 10.448 8.223 -1.755 578 HB2 GLN 73 2HB GLN 73 11.130 8.103 -4.111 579 HB3 GLN 73 1HB GLN 73 11.591 6.659 -3.224 580 HG2 GLN 73 2HG GLN 73 9.394 5.671 -4.164 581 HG3 GLN 73 1HG GLN 73 9.489 7.004 -5.313 582 HE21 GLN 73 1HE2 GLN 73 9.649 5.310 -6.892 583 HE22 GLN 73 2HE2 GLN 73 11.183 4.591 -7.223 584 H LEU 74 H LEU 74 7.545 6.971 -3.355 585 HA LEU 74 HA LEU 74 6.883 9.583 -4.376 586 HB2 LEU 74 2HB LEU 74 4.830 8.605 -5.176 587 HB3 LEU 74 1HB LEU 74 6.170 7.555 -5.577 588 HG LEU 74 HG LEU 74 5.349 6.432 -3.246 589 HD11 LEU 74 1HD1 LEU 74 3.444 7.979 -3.064 590 HD12 LEU 74 2HD1 LEU 74 2.929 6.301 -3.255 591 HD13 LEU 74 3HD1 LEU 74 2.854 7.409 -4.625 592 HD21 LEU 74 3HD2 LEU 74 4.315 5.875 -6.021 593 HD22 LEU 74 1HD2 LEU 74 4.249 4.758 -4.660 594 HD23 LEU 74 2HD2 LEU 74 5.808 5.256 -5.319 595 H THR 75 H THR 75 6.247 7.676 -1.547 596 HA THR 75 HA THR 75 4.057 9.155 -0.539 597 HB THR 75 HB THR 75 6.123 7.531 0.974 598 HG1 THR 75 HG1 THR 75 4.897 6.325 -0.579 599 HG21 THR 75 3HG2 THR 75 3.368 8.446 1.829 600 HG22 THR 75 1HG2 THR 75 4.900 9.076 2.445 601 HG23 THR 75 2HG2 THR 75 4.445 7.397 2.751 602 H GLU 76 H GLU 76 7.530 9.562 -0.404 603 HA GLU 76 HA GLU 76 7.831 11.371 1.660 604 HB2 GLU 76 2HB GLU 76 9.293 11.113 -0.966 605 HB3 GLU 76 1HB GLU 76 9.803 12.229 0.297 606 HG2 GLU 76 2HG GLU 76 9.438 9.302 0.826 607 HG3 GLU 76 1HG GLU 76 10.937 9.947 0.163 608 H LEU 77 H LEU 77 6.634 11.915 -1.585 609 HA LEU 77 HA LEU 77 6.744 14.740 -1.596 610 HB2 LEU 77 2HB LEU 77 5.238 12.674 -3.137 611 HB3 LEU 77 1HB LEU 77 4.747 14.349 -3.277 612 HG LEU 77 HG LEU 77 7.133 14.873 -3.959 613 HD11 LEU 77 1HD1 LEU 77 8.194 12.855 -3.106 614 HD12 LEU 77 2HD1 LEU 77 8.459 13.022 -4.842 615 HD13 LEU 77 3HD1 LEU 77 7.262 11.876 -4.239 616 HD21 LEU 77 3HD2 LEU 77 5.443 13.059 -5.673 617 HD22 LEU 77 1HD2 LEU 77 6.784 14.040 -6.262 618 HD23 LEU 77 2HD2 LEU 77 5.359 14.819 -5.579 619 H ILE 78 H ILE 78 4.397 12.428 -0.419 620 HA ILE 78 HA ILE 78 2.469 14.504 0.237 621 HB ILE 78 HB ILE 78 2.350 11.540 0.843 622 HG12 ILE 78 2HG1 ILE 78 0.488 12.248 -1.159 623 HG13 ILE 78 1HG1 ILE 78 2.017 12.978 -1.634 624 HG21 ILE 78 1HG2 ILE 78 -0.048 11.914 1.141 625 HG22 ILE 78 2HG2 ILE 78 0.179 13.638 0.844 626 HG23 ILE 78 3HG2 ILE 78 0.893 12.887 2.271 627 HD11 ILE 78 3HD1 ILE 78 1.661 10.074 -0.933 628 HD12 ILE 78 1HD1 ILE 78 3.112 10.844 -1.576 629 HD13 ILE 78 2HD1 ILE 78 1.662 10.726 -2.572 630 H ALA 79 H ALA 79 4.942 12.590 1.731 631 HA ALA 79 HA ALA 79 4.211 12.801 4.427 632 HB1 ALA 79 1HB ALA 79 7.000 12.686 3.288 633 HB2 ALA 79 2HB ALA 79 6.517 12.278 4.936 634 HB3 ALA 79 3HB ALA 79 5.959 11.289 3.583 635 H SER 80 H SER 80 5.638 15.096 2.247 636 HA SER 80 HA SER 80 6.647 16.885 4.217 637 HB2 SER 80 2HB SER 80 5.798 17.682 1.437 638 HB3 SER 80 1HB SER 80 7.107 18.344 2.417 639 HG SER 80 HG SER 80 7.727 15.857 2.211 640 H LYS 81 H LYS 81 3.504 16.124 3.228 641 HA LYS 81 HA LYS 81 2.443 18.399 4.729 642 HB2 LYS 81 2HB LYS 81 0.674 18.755 3.005 643 HB3 LYS 81 1HB LYS 81 2.287 19.191 2.459 644 HG2 LYS 81 2HG LYS 81 2.448 17.209 1.118 645 HG3 LYS 81 1HG LYS 81 0.972 16.551 1.828 646 HD2 LYS 81 2HD LYS 81 -0.289 18.449 0.849 647 HD3 LYS 81 1HD LYS 81 1.188 18.986 0.049 648 HE2 LYS 81 2HE LYS 81 1.305 16.896 -1.182 649 HE3 LYS 81 1HE LYS 81 -0.119 16.296 -0.334 650 HZ1 LYS 81 3HZ LYS 81 -0.536 17.200 -2.601 651 HZ2 LYS 81 1HZ LYS 81 -0.148 18.736 -2.011 652 HZ3 LYS 81 2HZ LYS 81 -1.476 17.896 -1.381 653 H LYS 82 H LYS 82 2.765 15.757 5.499 654 HA LYS 82 HA LYS 82 0.354 14.272 5.093 655 HB2 LYS 82 2HB LYS 82 1.268 12.733 6.831 656 HB3 LYS 82 1HB LYS 82 2.322 12.991 5.457 657 HG2 LYS 82 2HG LYS 82 3.761 14.412 6.750 658 HG3 LYS 82 1HG LYS 82 2.622 14.407 8.099 659 HD2 LYS 82 2HD LYS 82 2.973 12.001 8.376 660 HD3 LYS 82 1HD LYS 82 4.101 12.003 7.017 661 HE2 LYS 82 2HE LYS 82 5.667 13.352 8.220 662 HE3 LYS 82 1HE LYS 82 4.491 13.692 9.489 663 HZ1 LYS 82 3HZ LYS 82 6.155 12.015 10.122 664 HZ2 LYS 82 1HZ LYS 82 5.586 10.997 8.899 665 HZ3 LYS 82 2HZ LYS 82 4.575 11.420 10.189 666 H ASP 83 H ASP 83 -0.826 16.363 5.804 667 HA ASP 83 HA ASP 83 -1.223 16.494 8.694 668 HB2 ASP 83 2HB ASP 83 -1.130 18.550 7.194 669 HB3 ASP 83 1HB ASP 83 -2.690 18.045 6.553 670 H LEU 84 H LEU 84 -2.368 14.825 6.058 671 HA LEU 84 HA LEU 84 -5.099 14.479 6.972 672 HB2 LEU 84 2HB LEU 84 -3.662 13.041 4.732 673 HB3 LEU 84 1HB LEU 84 -5.388 13.091 5.006 674 HG LEU 84 HG LEU 84 -5.153 14.553 3.252 675 HD11 LEU 84 1HD1 LEU 84 -4.814 16.361 5.639 676 HD12 LEU 84 2HD1 LEU 84 -6.335 15.673 5.069 677 HD13 LEU 84 3HD1 LEU 84 -5.453 16.822 4.061 678 HD21 LEU 84 3HD2 LEU 84 -2.712 14.498 3.176 679 HD22 LEU 84 1HD2 LEU 84 -2.644 15.664 4.495 680 HD23 LEU 84 2HD2 LEU 84 -3.337 16.131 2.941 681 H PHE 85 H PHE 85 -5.828 12.021 6.917 682 HA PHE 85 HA PHE 85 -4.227 10.709 8.945 683 HB2 PHE 85 2HB PHE 85 -6.836 9.821 7.700 684 HB3 PHE 85 1HB PHE 85 -6.088 9.152 9.146 685 HD1 PHE 85 HD1 PHE 85 -5.800 10.690 11.154 686 HD2 PHE 85 HD2 PHE 85 -8.298 11.616 7.830 687 HE1 PHE 85 HE1 PHE 85 -7.023 12.325 12.530 688 HE2 PHE 85 HE2 PHE 85 -9.520 13.251 9.201 689 HZ PHE 85 HZ PHE 85 -8.885 13.606 11.551 690 H VAL 86 H VAL 86 -2.438 10.401 7.404 691 HA VAL 86 HA VAL 86 -2.872 8.183 5.539 692 HB VAL 86 HB VAL 86 -1.782 10.106 4.556 693 HG11 VAL 86 1HG1 VAL 86 0.310 9.768 6.702 694 HG12 VAL 86 2HG1 VAL 86 -0.792 11.128 6.498 695 HG13 VAL 86 3HG1 VAL 86 0.464 10.828 5.301 696 HG21 VAL 86 3HG2 VAL 86 -1.114 7.961 3.688 697 HG22 VAL 86 1HG2 VAL 86 0.113 7.793 4.942 698 HG23 VAL 86 2HG2 VAL 86 0.284 9.039 3.706 699 H HIS 87 H HIS 87 -2.107 6.204 5.914 700 HA HIS 87 HA HIS 87 0.123 5.736 7.683 701 HB2 HIS 87 2HB HIS 87 -2.641 5.376 8.588 702 HB3 HIS 87 1HB HIS 87 -1.649 3.933 8.773 703 HD1 HIS 87 HD1 HIS 87 0.597 4.276 10.229 704 HD2 HIS 87 HD2 HIS 87 -2.257 7.287 10.490 705 HE1 HIS 87 HE1 HIS 87 1.188 5.595 12.288 706 H SER 88 H SER 88 1.253 4.530 6.283 707 HA SER 88 HA SER 88 -0.120 2.317 4.923 708 HB2 SER 88 2HB SER 88 2.601 3.396 4.191 709 HB3 SER 88 1HB SER 88 1.479 2.476 3.188 710 HG SER 88 HG SER 88 1.594 4.819 2.804 711 H ILE 89 H ILE 89 0.479 0.257 5.342 712 HA ILE 89 HA ILE 89 3.058 -0.356 6.453 713 HB ILE 89 HB ILE 89 1.829 0.333 8.481 714 HG12 ILE 89 2HG1 ILE 89 2.144 -2.639 8.657 715 HG13 ILE 89 1HG1 ILE 89 3.540 -1.629 8.312 716 HG21 ILE 89 1HG2 ILE 89 -0.368 -0.719 7.411 717 HG22 ILE 89 2HG2 ILE 89 -0.175 -0.491 9.148 718 HG23 ILE 89 3HG2 ILE 89 0.112 -2.074 8.426 719 HD11 ILE 89 3HD1 ILE 89 3.381 -2.141 10.678 720 HD12 ILE 89 1HD1 ILE 89 1.768 -1.433 10.733 721 HD13 ILE 89 2HD1 ILE 89 3.168 -0.412 10.401 722 H ASP 90 H ASP 90 3.685 -2.366 5.968 723 HA ASP 90 HA ASP 90 1.700 -4.133 4.709 724 HB2 ASP 90 2HB ASP 90 3.370 -4.879 3.215 725 HB3 ASP 90 1HB ASP 90 3.631 -3.145 3.332 726 H SER 91 H SER 91 3.642 -6.391 4.716 727 HA SER 91 HA SER 91 3.826 -6.945 7.591 728 HB2 SER 91 2HB SER 91 2.663 -8.839 5.537 729 HB3 SER 91 1HB SER 91 2.874 -9.175 7.255 730 HG SER 91 HG SER 91 0.974 -8.330 7.487 731 H GLU 92 H GLU 92 5.913 -6.215 5.774 732 HA GLU 92 HA GLU 92 7.347 -8.368 4.738 733 HB2 GLU 92 2HB GLU 92 9.344 -6.894 4.852 734 HB3 GLU 92 1HB GLU 92 7.949 -6.117 4.120 735 HG2 GLU 92 2HG GLU 92 8.581 -4.421 5.450 736 HG3 GLU 92 1HG GLU 92 7.622 -5.287 6.642 737 H VAL 93 H VAL 93 9.572 -9.004 5.504 738 HA VAL 93 HA VAL 93 9.410 -9.755 8.337 739 HB VAL 93 HB VAL 93 9.355 -11.742 7.032 740 HG11 VAL 93 1HG1 VAL 93 10.042 -10.975 4.886 741 HG12 VAL 93 2HG1 VAL 93 11.136 -12.274 5.358 742 HG13 VAL 93 3HG1 VAL 93 11.661 -10.595 5.474 743 HG21 VAL 93 3HG2 VAL 93 10.826 -11.883 8.961 744 HG22 VAL 93 1HG2 VAL 93 12.187 -11.327 7.985 745 HG23 VAL 93 2HG2 VAL 93 11.436 -12.886 7.646 746 H ILE 94 H ILE 94 10.734 -8.688 9.607 747 HA ILE 94 HA ILE 94 12.738 -6.949 8.751 748 HB ILE 94 HB ILE 94 11.775 -6.599 10.904 749 HG12 ILE 94 2HG1 ILE 94 14.653 -7.481 11.245 750 HG13 ILE 94 1HG1 ILE 94 14.123 -5.903 10.669 751 HG21 ILE 94 1HG2 ILE 94 12.176 -8.172 12.789 752 HG22 ILE 94 2HG2 ILE 94 12.824 -9.327 11.625 753 HG23 ILE 94 3HG2 ILE 94 11.138 -8.820 11.519 754 HD11 ILE 94 3HD1 ILE 94 13.600 -7.043 13.407 755 HD12 ILE 94 1HD1 ILE 94 13.116 -5.445 12.837 756 HD13 ILE 94 2HD1 ILE 94 14.826 -5.842 13.003 757 H THR 95 H THR 95 14.765 -7.230 8.118 758 HA THR 95 HA THR 95 16.086 -9.780 8.759 759 HB THR 95 HB THR 95 16.588 -8.188 6.245 760 HG1 THR 95 HG1 THR 95 14.368 -9.336 6.713 761 HG21 THR 95 3HG2 THR 95 17.273 -10.996 7.115 762 HG22 THR 95 1HG2 THR 95 18.395 -9.669 6.814 763 HG23 THR 95 2HG2 THR 95 17.501 -10.385 5.476 764 H LYS 96 H LYS 96 17.717 -9.461 10.119 765 HA LYS 96 HA LYS 96 18.978 -6.858 10.344 766 HB2 LYS 96 2HB LYS 96 18.321 -8.340 12.314 767 HB3 LYS 96 1HB LYS 96 19.680 -9.363 11.874 768 HG2 LYS 96 2HG LYS 96 21.246 -7.765 12.473 769 HG3 LYS 96 1HG LYS 96 20.084 -6.442 12.363 770 HD2 LYS 96 2HD LYS 96 18.930 -7.290 14.346 771 HD3 LYS 96 1HD LYS 96 20.076 -8.628 14.445 772 HE2 LYS 96 2HE LYS 96 21.877 -7.156 14.942 773 HE3 LYS 96 1HE LYS 96 20.908 -5.735 14.553 774 HZ1 LYS 96 3HZ LYS 96 19.524 -6.180 16.461 775 HZ2 LYS 96 1HZ LYS 96 21.140 -6.086 16.948 776 HZ3 LYS 96 2HZ LYS 96 20.387 -7.594 16.811 777 H LYS 97 H LYS 97 19.963 -6.844 8.255 778 HA LYS 97 HA LYS 97 22.483 -8.337 8.176 779 HB2 LYS 97 2HB LYS 97 20.849 -9.466 6.713 780 HB3 LYS 97 1HB LYS 97 20.623 -7.958 5.853 781 HG2 LYS 97 2HG LYS 97 23.285 -8.211 5.597 782 HG3 LYS 97 1HG LYS 97 22.828 -9.911 5.678 783 HD2 LYS 97 2HD LYS 97 21.582 -7.905 3.800 784 HD3 LYS 97 1HD LYS 97 22.922 -8.964 3.369 785 HE2 LYS 97 2HE LYS 97 20.257 -9.950 4.369 786 HE3 LYS 97 1HE LYS 97 20.664 -9.779 2.663 787 HZ1 LYS 97 3HZ LYS 97 22.379 -11.389 2.886 788 HZ2 LYS 97 1HZ LYS 97 20.982 -12.046 3.580 789 HZ3 LYS 97 2HZ LYS 97 22.214 -11.442 4.567 790 H GLU 98 H GLU 98 24.205 -7.228 7.263 791 HA GLU 98 HA GLU 98 23.872 -4.366 7.075 792 HB2 GLU 98 2HB GLU 98 26.187 -6.247 7.132 793 HB3 GLU 98 1HB GLU 98 26.434 -4.668 6.401 794 HG2 GLU 98 2HG GLU 98 25.319 -3.845 8.651 795 HG3 GLU 98 1HG GLU 98 25.926 -5.398 9.230 796 H ALA 99 H ALA 99 22.483 -4.338 5.223 797 HA ALA 99 HA ALA 99 23.525 -5.248 2.686 798 HB1 ALA 99 1HB ALA 99 21.072 -3.586 3.284 799 HB2 ALA 99 2HB ALA 99 21.470 -4.333 1.736 800 HB3 ALA 99 3HB ALA 99 21.112 -5.342 3.137 801 H GLN 100 H GLN 100 25.501 -3.990 2.945 802 HA GLN 100 HA GLN 100 25.456 -1.151 2.855 803 HB2 GLN 100 2HB GLN 100 27.370 -2.573 3.674 804 HB3 GLN 100 1HB GLN 100 27.697 -2.980 1.993 805 HG2 GLN 100 2HG GLN 100 28.161 -0.671 1.469 806 HG3 GLN 100 1HG GLN 100 27.705 -0.178 3.100 807 HE21 GLN 100 1HE2 GLN 100 30.243 0.195 1.709 808 HE22 GLN 100 2HE2 GLN 100 31.449 -0.577 2.678 809 H GLN 101 H GLN 101 25.016 0.104 1.190 810 HA GLN 101 HA GLN 101 24.752 -1.054 -1.449 811 HB2 GLN 101 2HB GLN 101 23.088 0.556 -0.427 812 HB3 GLN 101 1HB GLN 101 24.291 1.818 -0.657 813 HG2 GLN 101 2HG GLN 101 22.679 1.833 -2.484 814 HG3 GLN 101 1HG GLN 101 24.280 1.382 -3.080 815 HE21 GLN 101 1HE2 GLN 101 23.447 0.348 -4.872 816 HE22 GLN 101 2HE2 GLN 101 22.615 -1.164 -4.777 817 H ILE 102 H ILE 102 26.967 -1.502 -1.769 818 HA ILE 102 HA ILE 102 28.486 0.861 -2.633 819 HB ILE 102 HB ILE 102 29.614 0.050 -0.687 820 HG12 ILE 102 2HG1 ILE 102 31.775 -0.858 -1.781 821 HG13 ILE 102 1HG1 ILE 102 30.904 -0.664 -3.299 822 HG21 ILE 102 1HG2 ILE 102 29.587 -2.684 -1.947 823 HG22 ILE 102 2HG2 ILE 102 28.655 -2.170 -0.541 824 HG23 ILE 102 3HG2 ILE 102 30.414 -2.247 -0.454 825 HD11 ILE 102 3HD1 ILE 102 32.318 1.246 -2.846 826 HD12 ILE 102 1HD1 ILE 102 31.483 1.520 -1.317 827 HD13 ILE 102 2HD1 ILE 102 30.616 1.706 -2.842 828 H ARG 103 H ARG 103 28.608 0.863 -4.788 829 HA ARG 103 HA ARG 103 28.809 -1.747 -6.106 830 HB2 ARG 103 2HB ARG 103 27.172 0.648 -6.883 831 HB3 ARG 103 1HB ARG 103 27.643 -0.562 -8.070 832 HG2 ARG 103 2HG ARG 103 26.217 -1.319 -5.539 833 HG3 ARG 103 1HG ARG 103 25.336 -0.807 -6.981 834 HD2 ARG 103 2HD ARG 103 26.178 -2.627 -8.246 835 HD3 ARG 103 1HD ARG 103 27.364 -3.035 -7.011 836 HE ARG 103 HE ARG 103 24.573 -3.755 -7.056 837 HH11 ARG 103 1HH1 ARG 103 27.418 -3.364 -5.035 838 HH12 ARG 103 2HH1 ARG 103 26.833 -4.429 -3.797 839 HH21 ARG 103 1HH2 ARG 103 23.823 -5.179 -5.417 840 HH22 ARG 103 2HH2 ARG 103 24.808 -5.465 -4.012 841 H GLU 104 H GLU 104 30.548 -2.025 -7.297 842 HA GLU 104 HA GLU 104 32.076 0.345 -8.129 843 HB2 GLU 104 2HB GLU 104 32.994 -2.521 -7.794 844 HB3 GLU 104 1HB GLU 104 34.013 -1.173 -8.280 845 HG2 GLU 104 2HG GLU 104 33.320 -0.100 -6.058 846 HG3 GLU 104 1HG GLU 104 32.766 -1.712 -5.612 847 H GLU 105 H GLU 105 29.744 -1.249 -9.338 848 HA GLU 105 HA GLU 105 30.863 -2.218 -11.828 849 HB2 GLU 105 2HB GLU 105 27.930 -1.804 -11.278 850 HB3 GLU 105 1HB GLU 105 28.685 -2.943 -12.380 851 HG2 GLU 105 2HG GLU 105 28.634 -3.098 -9.372 852 HG3 GLU 105 1HG GLU 105 27.780 -4.131 -10.511 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -25.983 -29.139 -10.004 2 HA2 GLY 1 1HA GLY 1 -26.565 -27.236 -11.356 3 HA3 GLY 1 2HA GLY 1 -27.544 -26.617 -10.034 4 H SER 2 H SER 2 -25.547 -25.077 -11.118 5 HA SER 2 HA SER 2 -23.076 -25.314 -9.723 6 HB2 SER 2 2HB SER 2 -23.436 -22.647 -10.583 7 HB3 SER 2 1HB SER 2 -22.520 -23.922 -11.386 8 HG SER 2 HG SER 2 -24.590 -22.751 -12.353 9 H HIS 3 H HIS 3 -22.232 -23.557 -8.294 10 HA HIS 3 HA HIS 3 -24.227 -22.963 -6.237 11 HB2 HIS 3 2HB HIS 3 -21.254 -23.257 -6.246 12 HB3 HIS 3 1HB HIS 3 -22.000 -22.261 -5.000 13 HD1 HIS 3 HD1 HIS 3 -21.676 -23.749 -3.011 14 HD2 HIS 3 HD2 HIS 3 -23.468 -25.719 -6.205 15 HE1 HIS 3 HE1 HIS 3 -22.363 -25.998 -2.118 16 H MET 4 H MET 4 -23.777 -20.887 -4.993 17 HA MET 4 HA MET 4 -23.581 -18.686 -6.931 18 HB2 MET 4 2HB MET 4 -24.760 -18.694 -4.139 19 HB3 MET 4 1HB MET 4 -24.819 -17.361 -5.282 20 HG2 MET 4 2HG MET 4 -26.253 -18.606 -6.745 21 HG3 MET 4 1HG MET 4 -26.085 -20.050 -5.748 22 HE1 MET 4 3HE MET 4 -29.839 -18.811 -5.308 23 HE2 MET 4 1HE MET 4 -28.830 -20.178 -5.789 24 HE3 MET 4 2HE MET 4 -28.828 -18.697 -6.749 25 H LYS 5 H LYS 5 -22.944 -16.554 -5.446 26 HA LYS 5 HA LYS 5 -20.191 -16.975 -4.839 27 HB2 LYS 5 2HB LYS 5 -20.129 -14.604 -4.271 28 HB3 LYS 5 1HB LYS 5 -20.995 -14.849 -5.782 29 HG2 LYS 5 2HG LYS 5 -23.117 -14.601 -4.622 30 HG3 LYS 5 1HG LYS 5 -22.269 -14.401 -3.088 31 HD2 LYS 5 2HD LYS 5 -22.776 -12.216 -3.766 32 HD3 LYS 5 1HD LYS 5 -21.083 -12.431 -4.215 33 HE2 LYS 5 2HE LYS 5 -22.291 -11.343 -6.013 34 HE3 LYS 5 1HE LYS 5 -21.777 -12.954 -6.513 35 HZ1 LYS 5 3HZ LYS 5 -23.873 -13.580 -6.824 36 HZ2 LYS 5 1HZ LYS 5 -24.300 -11.952 -6.693 37 HZ3 LYS 5 2HZ LYS 5 -24.387 -12.960 -5.337 38 H THR 6 H THR 6 -19.162 -17.119 -2.872 39 HA THR 6 HA THR 6 -20.916 -17.197 -0.506 40 HB THR 6 HB THR 6 -18.531 -18.959 -0.506 41 HG1 THR 6 HG1 THR 6 -19.627 -19.182 -2.640 42 HG21 THR 6 3HG2 THR 6 -20.082 -20.467 0.662 43 HG22 THR 6 1HG2 THR 6 -21.404 -19.336 0.362 44 HG23 THR 6 2HG2 THR 6 -20.059 -18.868 1.402 45 H LYS 7 H LYS 7 -19.639 -17.063 1.562 46 HA LYS 7 HA LYS 7 -18.156 -14.693 1.684 47 HB2 LYS 7 2HB LYS 7 -17.796 -15.245 4.024 48 HB3 LYS 7 1HB LYS 7 -19.451 -15.619 3.564 49 HG2 LYS 7 2HG LYS 7 -18.800 -18.014 3.326 50 HG3 LYS 7 1HG LYS 7 -17.193 -17.596 3.924 51 HD2 LYS 7 2HD LYS 7 -19.701 -16.991 5.471 52 HD3 LYS 7 1HD LYS 7 -18.848 -18.528 5.611 53 HE2 LYS 7 2HE LYS 7 -16.769 -17.106 6.105 54 HE3 LYS 7 1HE LYS 7 -17.907 -15.782 6.358 55 HZ1 LYS 7 3HZ LYS 7 -17.747 -18.335 7.850 56 HZ2 LYS 7 1HZ LYS 7 -19.057 -17.272 7.982 57 HZ3 LYS 7 2HZ LYS 7 -17.513 -16.772 8.447 58 H LYS 8 H LYS 8 -15.949 -14.336 2.249 59 HA LYS 8 HA LYS 8 -14.128 -16.584 1.844 60 HB2 LYS 8 2HB LYS 8 -12.718 -15.189 0.321 61 HB3 LYS 8 1HB LYS 8 -14.258 -15.683 -0.367 62 HG2 LYS 8 2HG LYS 8 -14.097 -13.017 0.971 63 HG3 LYS 8 1HG LYS 8 -13.369 -13.203 -0.628 64 HD2 LYS 8 2HD LYS 8 -16.183 -14.103 -0.087 65 HD3 LYS 8 1HD LYS 8 -15.825 -12.418 -0.461 66 HE2 LYS 8 2HE LYS 8 -14.893 -13.036 -2.587 67 HE3 LYS 8 1HE LYS 8 -15.029 -14.748 -2.208 68 HZ1 LYS 8 3HZ LYS 8 -17.491 -14.343 -2.043 69 HZ2 LYS 8 1HZ LYS 8 -16.831 -14.226 -3.598 70 HZ3 LYS 8 2HZ LYS 8 -17.218 -12.826 -2.736 71 H GLN 9 H GLN 9 -12.118 -16.346 2.809 72 HA GLN 9 HA GLN 9 -12.063 -14.514 5.030 73 HB2 GLN 9 2HB GLN 9 -10.175 -16.673 4.094 74 HB3 GLN 9 1HB GLN 9 -9.829 -15.651 5.481 75 HG2 GLN 9 2HG GLN 9 -10.733 -17.596 6.392 76 HG3 GLN 9 1HG GLN 9 -12.062 -16.437 6.412 77 HE21 GLN 9 1HE2 GLN 9 -13.611 -18.079 6.464 78 HE22 GLN 9 2HE2 GLN 9 -13.958 -19.054 5.081 79 H GLN 10 H GLN 10 -9.987 -15.098 2.194 80 HA GLN 10 HA GLN 10 -8.790 -12.458 2.652 81 HB2 GLN 10 2HB GLN 10 -6.896 -13.174 1.353 82 HB3 GLN 10 1HB GLN 10 -7.220 -14.377 2.589 83 HG2 GLN 10 2HG GLN 10 -8.175 -15.866 0.994 84 HG3 GLN 10 1HG GLN 10 -8.137 -14.629 -0.263 85 HE21 GLN 10 1HE2 GLN 10 -6.142 -14.034 -1.160 86 HE22 GLN 10 2HE2 GLN 10 -4.747 -15.050 -1.035 87 H TYR 11 H TYR 11 -8.634 -10.969 0.969 88 HA TYR 11 HA TYR 11 -9.601 -11.467 -1.651 89 HB2 TYR 11 2HB TYR 11 -11.609 -9.986 -1.531 90 HB3 TYR 11 1HB TYR 11 -11.789 -11.473 -0.608 91 HD1 TYR 11 HD1 TYR 11 -11.327 -7.828 -0.373 92 HD2 TYR 11 HD2 TYR 11 -12.011 -11.431 1.791 93 HE1 TYR 11 HE1 TYR 11 -11.911 -6.517 1.620 94 HE2 TYR 11 HE2 TYR 11 -12.597 -10.124 3.788 95 HH TYR 11 HH TYR 11 -13.303 -6.874 3.706 96 H VAL 12 H VAL 12 -10.299 -9.020 -2.520 97 HA VAL 12 HA VAL 12 -8.294 -7.130 -1.538 98 HB VAL 12 HB VAL 12 -7.206 -8.269 -3.400 99 HG11 VAL 12 1HG1 VAL 12 -9.127 -9.090 -4.601 100 HG12 VAL 12 2HG1 VAL 12 -8.120 -8.128 -5.684 101 HG13 VAL 12 3HG1 VAL 12 -9.606 -7.446 -5.024 102 HG21 VAL 12 3HG2 VAL 12 -8.104 -5.530 -4.287 103 HG22 VAL 12 1HG2 VAL 12 -6.618 -6.363 -4.743 104 HG23 VAL 12 2HG2 VAL 12 -6.857 -5.834 -3.078 105 H THR 13 H THR 13 -8.974 -5.033 -1.568 106 HA THR 13 HA THR 13 -11.165 -4.209 -3.254 107 HB THR 13 HB THR 13 -12.345 -5.253 -1.337 108 HG1 THR 13 HG1 THR 13 -13.064 -3.218 -2.487 109 HG21 THR 13 3HG2 THR 13 -10.971 -3.105 0.292 110 HG22 THR 13 1HG2 THR 13 -10.720 -4.849 0.431 111 HG23 THR 13 2HG2 THR 13 -12.274 -4.145 0.867 112 H ILE 14 H ILE 14 -11.247 -2.008 -3.529 113 HA ILE 14 HA ILE 14 -9.386 -0.348 -1.978 114 HB ILE 14 HB ILE 14 -9.641 -0.217 -4.992 115 HG12 ILE 14 2HG1 ILE 14 -7.197 -1.119 -3.477 116 HG13 ILE 14 1HG1 ILE 14 -8.433 -2.266 -3.986 117 HG21 ILE 14 1HG2 ILE 14 -7.701 1.301 -4.821 118 HG22 ILE 14 2HG2 ILE 14 -7.815 1.213 -3.063 119 HG23 ILE 14 3HG2 ILE 14 -9.131 1.928 -3.993 120 HD11 ILE 14 3HD1 ILE 14 -6.755 -0.503 -5.754 121 HD12 ILE 14 1HD1 ILE 14 -8.084 -1.514 -6.319 122 HD13 ILE 14 2HD1 ILE 14 -6.663 -2.258 -5.590 123 H LYS 15 H LYS 15 -10.553 1.264 -1.100 124 HA LYS 15 HA LYS 15 -12.918 2.221 -2.568 125 HB2 LYS 15 2HB LYS 15 -13.118 1.185 -0.201 126 HB3 LYS 15 1HB LYS 15 -12.422 2.700 0.362 127 HG2 LYS 15 2HG LYS 15 -14.820 2.761 -1.425 128 HG3 LYS 15 1HG LYS 15 -15.021 2.402 0.290 129 HD2 LYS 15 2HD LYS 15 -13.308 4.712 -0.238 130 HD3 LYS 15 1HD LYS 15 -14.957 4.907 -0.835 131 HE2 LYS 15 2HE LYS 15 -14.887 5.761 1.407 132 HE3 LYS 15 1HE LYS 15 -15.772 4.236 1.443 133 HZ1 LYS 15 3HZ LYS 15 -14.208 4.434 3.273 134 HZ2 LYS 15 1HZ LYS 15 -12.914 4.581 2.191 135 HZ3 LYS 15 2HZ LYS 15 -13.799 3.140 2.269 136 H GLY 16 H GLY 16 -12.346 3.931 -3.722 137 HA2 GLY 16 2HA GLY 16 -11.259 6.251 -2.315 138 HA3 GLY 16 1HA GLY 16 -10.377 5.671 -3.723 139 H THR 17 H THR 17 -13.305 7.183 -2.592 140 HA THR 17 HA THR 17 -13.934 7.922 -5.378 141 HB THR 17 HB THR 17 -16.357 8.097 -4.478 142 HG1 THR 17 HG1 THR 17 -16.304 6.115 -2.807 143 HG21 THR 17 3HG2 THR 17 -15.756 6.455 -6.137 144 HG22 THR 17 1HG2 THR 17 -16.743 5.667 -4.906 145 HG23 THR 17 2HG2 THR 17 -14.997 5.435 -4.914 146 H LYS 18 H LYS 18 -15.466 8.935 -2.375 147 HA LYS 18 HA LYS 18 -14.620 11.701 -2.947 148 HB2 LYS 18 2HB LYS 18 -17.081 10.680 -1.512 149 HB3 LYS 18 1HB LYS 18 -16.640 12.379 -1.645 150 HG2 LYS 18 2HG LYS 18 -16.695 12.052 -4.157 151 HG3 LYS 18 1HG LYS 18 -17.467 10.499 -3.831 152 HD2 LYS 18 2HD LYS 18 -18.494 13.174 -2.890 153 HD3 LYS 18 1HD LYS 18 -19.087 12.306 -4.305 154 HE2 LYS 18 2HE LYS 18 -19.720 10.420 -2.838 155 HE3 LYS 18 1HE LYS 18 -19.191 11.355 -1.443 156 HZ1 LYS 18 3HZ LYS 18 -21.558 11.530 -1.716 157 HZ2 LYS 18 1HZ LYS 18 -21.386 12.075 -3.307 158 HZ3 LYS 18 2HZ LYS 18 -20.851 13.034 -2.025 159 H ASN 19 H ASN 19 -13.225 9.601 -1.497 160 HA ASN 19 HA ASN 19 -12.863 10.967 1.076 161 HB2 ASN 19 2HB ASN 19 -12.636 8.852 2.214 162 HB3 ASN 19 1HB ASN 19 -14.118 8.765 1.273 163 HD21 ASN 19 1HD2 ASN 19 -11.719 6.914 2.220 164 HD22 ASN 19 2HD2 ASN 19 -11.509 5.891 0.839 165 H GLY 20 H GLY 20 -10.638 9.464 1.901 166 HA2 GLY 20 2HA GLY 20 -8.612 10.496 0.152 167 HA3 GLY 20 1HA GLY 20 -8.349 9.598 1.641 168 H LEU 21 H LEU 21 -8.336 7.319 1.593 169 HA LEU 21 HA LEU 21 -8.752 5.826 -0.780 170 HB2 LEU 21 2HB LEU 21 -6.638 6.996 -1.378 171 HB3 LEU 21 1HB LEU 21 -5.870 6.251 0.010 172 HG LEU 21 HG LEU 21 -6.217 4.032 -0.979 173 HD11 LEU 21 1HD1 LEU 21 -6.947 3.856 -3.321 174 HD12 LEU 21 2HD1 LEU 21 -7.359 5.570 -3.304 175 HD13 LEU 21 3HD1 LEU 21 -8.227 4.445 -2.260 176 HD21 LEU 21 3HD2 LEU 21 -4.593 4.245 -2.777 177 HD22 LEU 21 1HD2 LEU 21 -4.146 5.256 -1.402 178 HD23 LEU 21 2HD2 LEU 21 -4.869 5.984 -2.836 179 H THR 22 H THR 22 -9.618 4.089 0.178 180 HA THR 22 HA THR 22 -8.216 2.959 2.513 181 HB THR 22 HB THR 22 -11.013 2.133 1.973 182 HG1 THR 22 HG1 THR 22 -10.297 4.741 2.885 183 HG21 THR 22 3HG2 THR 22 -11.159 2.244 4.410 184 HG22 THR 22 1HG2 THR 22 -9.551 2.963 4.480 185 HG23 THR 22 2HG2 THR 22 -9.751 1.306 3.911 186 H LEU 23 H LEU 23 -6.816 1.631 1.326 187 HA LEU 23 HA LEU 23 -8.093 -0.379 -0.398 188 HB2 LEU 23 2HB LEU 23 -5.951 -0.700 -1.458 189 HB3 LEU 23 1HB LEU 23 -6.376 0.998 -1.494 190 HG LEU 23 HG LEU 23 -4.744 0.293 0.821 191 HD11 LEU 23 1HD1 LEU 23 -3.597 -0.065 -1.946 192 HD12 LEU 23 2HD1 LEU 23 -3.808 -1.327 -0.733 193 HD13 LEU 23 3HD1 LEU 23 -2.669 -0.012 -0.445 194 HD21 LEU 23 3HD2 LEU 23 -3.452 2.238 -0.028 195 HD22 LEU 23 1HD2 LEU 23 -5.166 2.577 0.217 196 HD23 LEU 23 2HD2 LEU 23 -4.544 2.307 -1.412 197 H HIS 24 H HIS 24 -7.692 -2.531 -0.124 198 HA HIS 24 HA HIS 24 -5.943 -3.390 2.033 199 HB2 HIS 24 2HB HIS 24 -7.946 -3.032 3.293 200 HB3 HIS 24 1HB HIS 24 -8.940 -3.801 2.067 201 HD1 HIS 24 HD1 HIS 24 -9.915 -5.603 3.551 202 HD2 HIS 24 HD2 HIS 24 -5.761 -5.565 3.585 203 HE1 HIS 24 HE1 HIS 24 -9.231 -7.722 4.708 204 H LEU 25 H LEU 25 -4.742 -4.863 1.039 205 HA LEU 25 HA LEU 25 -6.077 -6.857 -0.670 206 HB2 LEU 25 2HB LEU 25 -4.559 -5.565 -2.008 207 HB3 LEU 25 1HB LEU 25 -3.295 -5.695 -0.805 208 HG LEU 25 HG LEU 25 -3.015 -8.067 -1.293 209 HD11 LEU 25 1HD1 LEU 25 -4.223 -9.129 -3.127 210 HD12 LEU 25 2HD1 LEU 25 -5.185 -7.667 -3.350 211 HD13 LEU 25 3HD1 LEU 25 -5.331 -8.603 -1.861 212 HD21 LEU 25 3HD2 LEU 25 -2.129 -7.873 -3.555 213 HD22 LEU 25 1HD2 LEU 25 -1.759 -6.428 -2.612 214 HD23 LEU 25 2HD2 LEU 25 -3.057 -6.394 -3.803 215 H ASP 26 H ASP 26 -6.038 -8.890 0.117 216 HA ASP 26 HA ASP 26 -4.052 -9.494 2.214 217 HB2 ASP 26 2HB ASP 26 -6.820 -9.382 2.498 218 HB3 ASP 26 1HB ASP 26 -6.465 -11.103 2.372 219 H ASP 27 H ASP 27 -2.702 -10.355 0.519 220 HA ASP 27 HA ASP 27 -3.230 -13.160 0.062 221 HB2 ASP 27 2HB ASP 27 -4.257 -11.825 -1.910 222 HB3 ASP 27 1HB ASP 27 -2.587 -11.519 -2.382 223 H ALA 28 H ALA 28 -1.335 -14.330 -0.342 224 HA ALA 28 HA ALA 28 1.114 -12.774 0.124 225 HB1 ALA 28 1HB ALA 28 2.049 -14.658 1.216 226 HB2 ALA 28 2HB ALA 28 0.753 -15.711 0.654 227 HB3 ALA 28 3HB ALA 28 0.417 -14.459 1.847 228 H CYS 29 H CYS 29 2.934 -13.095 -1.043 229 HA CYS 29 HA CYS 29 4.320 -13.631 -2.740 230 HB2 CYS 29 2HB CYS 29 2.546 -16.054 -3.039 231 HB3 CYS 29 1HB CYS 29 4.102 -15.831 -3.837 232 HG CYS 29 HG CYS 29 3.552 -17.215 -0.992 233 H SER 30 H SER 30 1.180 -12.766 -3.253 234 HA SER 30 HA SER 30 1.248 -12.962 -6.144 235 HB2 SER 30 2HB SER 30 -0.789 -11.756 -4.256 236 HB3 SER 30 1HB SER 30 -0.979 -11.837 -6.008 237 HG SER 30 HG SER 30 -1.870 -13.611 -4.533 238 H PHE 31 H PHE 31 0.949 -11.047 -7.498 239 HA PHE 31 HA PHE 31 2.742 -8.946 -6.634 240 HB2 PHE 31 2HB PHE 31 1.421 -9.560 -9.274 241 HB3 PHE 31 1HB PHE 31 2.399 -8.120 -9.010 242 HD1 PHE 31 HD1 PHE 31 4.812 -8.394 -8.372 243 HD2 PHE 31 HD2 PHE 31 2.414 -11.635 -9.728 244 HE1 PHE 31 HE1 PHE 31 6.845 -9.674 -8.886 245 HE2 PHE 31 HE2 PHE 31 4.446 -12.926 -10.244 246 HZ PHE 31 HZ PHE 31 6.663 -11.944 -9.823 247 H ASP 32 H ASP 32 2.219 -6.861 -6.289 248 HA ASP 32 HA ASP 32 -0.627 -6.232 -6.004 249 HB2 ASP 32 2HB ASP 32 0.195 -4.334 -4.608 250 HB3 ASP 32 1HB ASP 32 0.689 -5.907 -3.993 251 H GLU 33 H GLU 33 0.944 -6.178 -8.557 252 HA GLU 33 HA GLU 33 1.539 -3.585 -9.365 253 HB2 GLU 33 2HB GLU 33 1.317 -4.398 -11.671 254 HB3 GLU 33 1HB GLU 33 2.231 -5.509 -10.666 255 HG2 GLU 33 2HG GLU 33 0.227 -6.927 -10.452 256 HG3 GLU 33 1HG GLU 33 -0.637 -5.828 -11.526 257 H LEU 34 H LEU 34 -1.583 -5.241 -9.335 258 HA LEU 34 HA LEU 34 -2.912 -3.107 -10.736 259 HB2 LEU 34 2HB LEU 34 -3.718 -5.678 -9.522 260 HB3 LEU 34 1HB LEU 34 -4.933 -4.421 -9.466 261 HG LEU 34 HG LEU 34 -5.290 -5.797 -11.404 262 HD11 LEU 34 1HD1 LEU 34 -5.646 -3.317 -11.532 263 HD12 LEU 34 2HD1 LEU 34 -5.425 -4.130 -13.080 264 HD13 LEU 34 3HD1 LEU 34 -4.100 -3.208 -12.372 265 HD21 LEU 34 3HD2 LEU 34 -2.509 -5.045 -12.286 266 HD22 LEU 34 1HD2 LEU 34 -3.664 -6.048 -13.162 267 HD23 LEU 34 2HD2 LEU 34 -2.982 -6.617 -11.641 268 H LEU 35 H LEU 35 -2.391 -4.058 -7.418 269 HA LEU 35 HA LEU 35 -4.184 -2.240 -6.208 270 HB2 LEU 35 2HB LEU 35 -3.169 -4.250 -5.130 271 HB3 LEU 35 1HB LEU 35 -1.644 -3.391 -5.063 272 HG LEU 35 HG LEU 35 -2.904 -1.620 -3.696 273 HD11 LEU 35 1HD1 LEU 35 -4.819 -3.932 -3.430 274 HD12 LEU 35 2HD1 LEU 35 -5.166 -2.367 -4.166 275 HD13 LEU 35 3HD1 LEU 35 -4.828 -2.476 -2.440 276 HD21 LEU 35 3HD2 LEU 35 -2.447 -4.371 -2.563 277 HD22 LEU 35 1HD2 LEU 35 -2.563 -2.879 -1.632 278 HD23 LEU 35 2HD2 LEU 35 -1.228 -3.112 -2.761 279 H ASP 36 H ASP 36 -0.643 -2.107 -6.600 280 HA ASP 36 HA ASP 36 -0.261 0.487 -5.604 281 HB2 ASP 36 2HB ASP 36 1.630 -0.979 -5.885 282 HB3 ASP 36 1HB ASP 36 1.330 -1.124 -7.613 283 H GLY 37 H GLY 37 -0.950 -0.679 -8.853 284 HA2 GLY 37 2HA GLY 37 -0.623 1.659 -10.304 285 HA3 GLY 37 1HA GLY 37 -1.755 0.384 -10.719 286 H LEU 38 H LEU 38 -3.607 0.489 -8.752 287 HA LEU 38 HA LEU 38 -5.044 2.867 -9.464 288 HB2 LEU 38 2HB LEU 38 -6.062 0.582 -9.123 289 HB3 LEU 38 1HB LEU 38 -5.829 0.814 -7.401 290 HG LEU 38 HG LEU 38 -7.338 2.721 -7.409 291 HD11 LEU 38 1HD1 LEU 38 -8.639 3.222 -9.491 292 HD12 LEU 38 2HD1 LEU 38 -7.480 2.231 -10.377 293 HD13 LEU 38 3HD1 LEU 38 -6.939 3.690 -9.547 294 HD21 LEU 38 3HD2 LEU 38 -8.509 0.333 -8.828 295 HD22 LEU 38 1HD2 LEU 38 -9.423 1.567 -7.962 296 HD23 LEU 38 2HD2 LEU 38 -8.311 0.518 -7.087 297 H GLN 39 H GLN 39 -3.356 1.689 -6.625 298 HA GLN 39 HA GLN 39 -4.252 3.519 -4.727 299 HB2 GLN 39 2HB GLN 39 -2.959 1.650 -4.000 300 HB3 GLN 39 1HB GLN 39 -1.613 2.086 -5.039 301 HG2 GLN 39 2HG GLN 39 -2.170 4.237 -3.233 302 HG3 GLN 39 1HG GLN 39 -1.986 2.729 -2.336 303 HE21 GLN 39 1HE2 GLN 39 -0.020 1.649 -2.387 304 HE22 GLN 39 2HE2 GLN 39 1.436 2.405 -2.924 305 H ASN 40 H ASN 40 -1.332 3.716 -6.754 306 HA ASN 40 HA ASN 40 -0.597 6.309 -5.948 307 HB2 ASN 40 2HB ASN 40 0.764 4.509 -7.225 308 HB3 ASN 40 1HB ASN 40 0.047 5.211 -8.668 309 HD21 ASN 40 1HD2 ASN 40 2.244 5.687 -6.044 310 HD22 ASN 40 2HD2 ASN 40 3.006 7.105 -6.671 311 H MET 41 H MET 41 -2.666 5.152 -8.530 312 HA MET 41 HA MET 41 -2.909 7.574 -9.939 313 HB2 MET 41 2HB MET 41 -3.565 5.293 -10.768 314 HB3 MET 41 1HB MET 41 -4.992 5.401 -9.747 315 HG2 MET 41 2HG MET 41 -5.555 5.984 -12.011 316 HG3 MET 41 1HG MET 41 -5.706 7.396 -10.968 317 HE1 MET 41 3HE MET 41 -2.490 5.710 -12.544 318 HE2 MET 41 1HE MET 41 -2.284 6.704 -13.987 319 HE3 MET 41 2HE MET 41 -3.698 5.660 -13.829 320 H LEU 42 H LEU 42 -5.083 6.110 -7.499 321 HA LEU 42 HA LEU 42 -6.891 8.294 -7.508 322 HB2 LEU 42 2HB LEU 42 -6.439 6.129 -5.462 323 HB3 LEU 42 1HB LEU 42 -7.743 7.301 -5.375 324 HG LEU 42 HG LEU 42 -7.364 5.357 -7.659 325 HD11 LEU 42 1HD1 LEU 42 -7.858 4.174 -5.579 326 HD12 LEU 42 2HD1 LEU 42 -9.225 4.117 -6.692 327 HD13 LEU 42 3HD1 LEU 42 -9.255 5.218 -5.316 328 HD21 LEU 42 3HD2 LEU 42 -9.622 7.214 -6.910 329 HD22 LEU 42 1HD2 LEU 42 -9.696 5.995 -8.181 330 HD23 LEU 42 2HD2 LEU 42 -8.570 7.344 -8.320 331 H SER 43 H SER 43 -4.050 7.569 -5.541 332 HA SER 43 HA SER 43 -4.420 9.458 -3.524 333 HB2 SER 43 2HB SER 43 -1.834 8.458 -4.732 334 HB3 SER 43 1HB SER 43 -1.967 9.329 -3.203 335 HG SER 43 HG SER 43 -2.889 6.742 -3.871 336 H ILE 44 H ILE 44 -3.470 9.908 -6.833 337 HA ILE 44 HA ILE 44 -2.908 12.741 -6.252 338 HB ILE 44 HB ILE 44 -2.115 11.434 -8.839 339 HG12 ILE 44 2HG1 ILE 44 -0.454 11.466 -6.304 340 HG13 ILE 44 1HG1 ILE 44 -1.185 10.032 -7.019 341 HG21 ILE 44 1HG2 ILE 44 -2.029 13.884 -8.624 342 HG22 ILE 44 2HG2 ILE 44 -0.431 13.184 -8.875 343 HG23 ILE 44 3HG2 ILE 44 -0.921 13.716 -7.265 344 HD11 ILE 44 3HD1 ILE 44 1.181 10.175 -7.540 345 HD12 ILE 44 1HD1 ILE 44 0.935 11.751 -8.291 346 HD13 ILE 44 2HD1 ILE 44 0.206 10.311 -9.002 347 H GLU 45 H GLU 45 -5.401 10.950 -7.027 348 HA GLU 45 HA GLU 45 -6.350 12.707 -9.192 349 HB2 GLU 45 2HB GLU 45 -6.382 10.246 -9.657 350 HB3 GLU 45 1HB GLU 45 -7.502 10.050 -8.323 351 HG2 GLU 45 2HG GLU 45 -9.229 11.105 -9.436 352 HG3 GLU 45 1HG GLU 45 -8.142 11.925 -10.553 353 H GLN 46 H GLN 46 -7.534 11.029 -6.286 354 HA GLN 46 HA GLN 46 -9.045 13.417 -5.582 355 HB2 GLN 46 2HB GLN 46 -10.376 11.563 -6.984 356 HB3 GLN 46 1HB GLN 46 -10.513 10.827 -5.390 357 HG2 GLN 46 2HG GLN 46 -11.490 13.564 -6.216 358 HG3 GLN 46 1HG GLN 46 -12.475 12.161 -5.798 359 HE21 GLN 46 1HE2 GLN 46 -12.169 11.319 -3.592 360 HE22 GLN 46 2HE2 GLN 46 -11.941 12.463 -2.312 361 H TYR 47 H TYR 47 -8.142 13.792 -3.660 362 HA TYR 47 HA TYR 47 -8.343 11.712 -1.615 363 HB2 TYR 47 2HB TYR 47 -6.097 12.284 -0.740 364 HB3 TYR 47 1HB TYR 47 -6.023 11.593 -2.355 365 HD1 TYR 47 HD1 TYR 47 -5.822 13.268 -4.330 366 HD2 TYR 47 HD2 TYR 47 -5.009 14.293 -0.278 367 HE1 TYR 47 HE1 TYR 47 -4.477 15.180 -5.088 368 HE2 TYR 47 HE2 TYR 47 -3.665 16.209 -1.030 369 HH TYR 47 HH TYR 47 -3.685 17.313 -4.256 370 H THR 48 H THR 48 -9.923 13.999 -2.260 371 HA THR 48 HA THR 48 -9.365 15.791 -0.002 372 HB THR 48 HB THR 48 -11.471 16.688 -1.794 373 HG1 THR 48 HG1 THR 48 -10.270 15.627 -3.394 374 HG21 THR 48 3HG2 THR 48 -10.415 18.180 -0.233 375 HG22 THR 48 1HG2 THR 48 -10.000 18.706 -1.861 376 HG23 THR 48 2HG2 THR 48 -8.821 17.820 -0.893 377 H ASP 49 H ASP 49 -10.611 15.558 1.747 378 HA ASP 49 HA ASP 49 -13.400 14.727 1.429 379 HB2 ASP 49 2HB ASP 49 -11.954 12.721 2.010 380 HB3 ASP 49 1HB ASP 49 -11.590 13.518 3.535 381 H GLY 50 H GLY 50 -14.696 16.022 2.560 382 HA2 GLY 50 2HA GLY 50 -13.626 18.152 4.130 383 HA3 GLY 50 1HA GLY 50 -15.328 17.812 3.863 384 H LYS 51 H LYS 51 -14.447 14.964 4.904 385 HA LYS 51 HA LYS 51 -14.854 15.658 7.738 386 HB2 LYS 51 2HB LYS 51 -15.397 13.021 6.362 387 HB3 LYS 51 1HB LYS 51 -15.816 13.440 8.013 388 HG2 LYS 51 2HG LYS 51 -17.833 13.877 7.154 389 HG3 LYS 51 1HG LYS 51 -17.101 15.401 6.655 390 HD2 LYS 51 2HD LYS 51 -18.237 14.473 4.767 391 HD3 LYS 51 1HD LYS 51 -16.502 14.318 4.480 392 HE2 LYS 51 2HE LYS 51 -17.305 11.988 5.832 393 HE3 LYS 51 1HE LYS 51 -18.520 12.282 4.594 394 HZ1 LYS 51 3HZ LYS 51 -15.690 12.490 3.846 395 HZ2 LYS 51 1HZ LYS 51 -17.020 11.995 2.921 396 HZ3 LYS 51 2HZ LYS 51 -16.354 10.949 4.066 397 H GLY 52 H GLY 52 -12.361 15.235 5.905 398 HA2 GLY 52 2HA GLY 52 -10.181 14.820 6.759 399 HA3 GLY 52 1HA GLY 52 -10.888 13.721 7.937 400 H GLN 53 H GLN 53 -9.547 14.066 4.813 401 HA GLN 53 HA GLN 53 -10.418 11.699 3.599 402 HB2 GLN 53 2HB GLN 53 -8.226 11.920 2.281 403 HB3 GLN 53 1HB GLN 53 -9.394 13.226 2.162 404 HG2 GLN 53 2HG GLN 53 -7.279 13.435 4.229 405 HG3 GLN 53 1HG GLN 53 -6.825 13.669 2.542 406 HE21 GLN 53 1HE2 GLN 53 -7.622 15.429 1.422 407 HE22 GLN 53 2HE2 GLN 53 -8.355 16.782 2.219 408 H LYS 54 H LYS 54 -10.183 9.711 4.304 409 HA LYS 54 HA LYS 54 -7.984 9.004 6.056 410 HB2 LYS 54 2HB LYS 54 -10.308 8.314 6.587 411 HB3 LYS 54 1HB LYS 54 -10.334 7.352 5.116 412 HG2 LYS 54 2HG LYS 54 -8.381 6.075 6.038 413 HG3 LYS 54 1HG LYS 54 -8.641 6.925 7.560 414 HD2 LYS 54 2HD LYS 54 -11.085 6.091 7.315 415 HD3 LYS 54 1HD LYS 54 -10.387 4.929 6.184 416 HE2 LYS 54 2HE LYS 54 -10.478 3.917 8.352 417 HE3 LYS 54 1HE LYS 54 -8.793 4.242 7.954 418 HZ1 LYS 54 3HZ LYS 54 -9.309 4.855 10.233 419 HZ2 LYS 54 1HZ LYS 54 -10.507 5.923 9.703 420 HZ3 LYS 54 2HZ LYS 54 -8.887 6.221 9.333 421 H ILE 55 H ILE 55 -6.135 8.548 5.022 422 HA ILE 55 HA ILE 55 -6.254 6.895 2.585 423 HB ILE 55 HB ILE 55 -3.864 8.463 3.563 424 HG12 ILE 55 2HG1 ILE 55 -5.823 9.347 1.439 425 HG13 ILE 55 1HG1 ILE 55 -5.877 9.920 3.103 426 HG21 ILE 55 1HG2 ILE 55 -3.530 6.574 1.950 427 HG22 ILE 55 2HG2 ILE 55 -2.989 8.150 1.372 428 HG23 ILE 55 3HG2 ILE 55 -4.510 7.477 0.794 429 HD11 ILE 55 3HD1 ILE 55 -4.765 11.512 1.650 430 HD12 ILE 55 1HD1 ILE 55 -3.582 10.289 1.192 431 HD13 ILE 55 2HD1 ILE 55 -3.651 10.872 2.856 432 H SER 56 H SER 56 -6.372 4.876 3.485 433 HA SER 56 HA SER 56 -4.222 4.125 5.349 434 HB2 SER 56 2HB SER 56 -6.766 2.565 4.950 435 HB3 SER 56 1HB SER 56 -5.665 2.542 6.330 436 HG SER 56 HG SER 56 -6.510 5.031 6.009 437 H VAL 57 H VAL 57 -2.615 3.225 4.258 438 HA VAL 57 HA VAL 57 -3.198 1.519 1.949 439 HB VAL 57 HB VAL 57 -0.468 2.375 2.923 440 HG11 VAL 57 1HG1 VAL 57 -1.391 1.471 0.204 441 HG12 VAL 57 2HG1 VAL 57 -0.575 0.451 1.386 442 HG13 VAL 57 3HG1 VAL 57 0.263 1.838 0.693 443 HG21 VAL 57 3HG2 VAL 57 -1.821 4.366 2.467 444 HG22 VAL 57 1HG2 VAL 57 -2.193 3.744 0.861 445 HG23 VAL 57 2HG2 VAL 57 -0.533 4.170 1.280 446 H HIS 58 H HIS 58 -3.887 -0.379 2.880 447 HA HIS 58 HA HIS 58 -2.076 -1.674 4.799 448 HB2 HIS 58 2HB HIS 58 -4.954 -2.302 4.102 449 HB3 HIS 58 1HB HIS 58 -3.975 -3.224 5.237 450 HD1 HIS 58 HD1 HIS 58 -6.368 -2.241 6.527 451 HD2 HIS 58 HD2 HIS 58 -3.059 0.237 6.098 452 HE1 HIS 58 HE1 HIS 58 -6.652 -0.432 8.246 453 H VAL 59 H VAL 59 -0.529 -2.428 3.400 454 HA VAL 59 HA VAL 59 -1.395 -4.189 1.225 455 HB VAL 59 HB VAL 59 1.240 -4.182 0.849 456 HG11 VAL 59 1HG1 VAL 59 -0.338 -3.459 -0.803 457 HG12 VAL 59 2HG1 VAL 59 0.926 -2.238 -0.663 458 HG13 VAL 59 3HG1 VAL 59 -0.649 -1.966 0.082 459 HG21 VAL 59 3HG2 VAL 59 1.551 -2.767 2.931 460 HG22 VAL 59 1HG2 VAL 59 0.833 -1.439 2.021 461 HG23 VAL 59 2HG2 VAL 59 2.336 -2.180 1.465 462 H LYS 60 H LYS 60 -2.056 -5.880 2.652 463 HA LYS 60 HA LYS 60 -0.018 -7.196 4.252 464 HB2 LYS 60 2HB LYS 60 -2.876 -8.048 3.744 465 HB3 LYS 60 1HB LYS 60 -1.806 -8.645 5.003 466 HG2 LYS 60 2HG LYS 60 -1.740 -6.125 5.719 467 HG3 LYS 60 1HG LYS 60 -3.254 -6.046 4.820 468 HD2 LYS 60 2HD LYS 60 -3.963 -6.528 6.976 469 HD3 LYS 60 1HD LYS 60 -3.910 -8.118 6.219 470 HE2 LYS 60 2HE LYS 60 -1.644 -8.448 7.183 471 HE3 LYS 60 1HE LYS 60 -1.815 -6.908 8.018 472 HZ1 LYS 60 3HZ LYS 60 -2.360 -8.878 9.383 473 HZ2 LYS 60 1HZ LYS 60 -3.674 -9.188 8.369 474 HZ3 LYS 60 2HZ LYS 60 -3.623 -7.763 9.279 475 H LEU 61 H LEU 61 1.180 -7.424 2.149 476 HA LEU 61 HA LEU 61 0.292 -9.564 0.411 477 HB2 LEU 61 2HB LEU 61 2.707 -7.772 0.426 478 HB3 LEU 61 1HB LEU 61 2.498 -9.075 -0.728 479 HG LEU 61 HG LEU 61 0.318 -7.068 -0.486 480 HD11 LEU 61 1HD1 LEU 61 1.401 -5.538 -1.971 481 HD12 LEU 61 2HD1 LEU 61 2.819 -6.577 -2.089 482 HD13 LEU 61 3HD1 LEU 61 2.442 -5.772 -0.566 483 HD21 LEU 61 3HD2 LEU 61 0.100 -9.046 -1.918 484 HD22 LEU 61 1HD2 LEU 61 1.537 -8.549 -2.809 485 HD23 LEU 61 2HD2 LEU 61 0.085 -7.550 -2.851 486 H GLY 62 H GLY 62 2.064 -9.332 3.262 487 HA2 GLY 62 2HA GLY 62 3.103 -10.948 4.514 488 HA3 GLY 62 1HA GLY 62 2.621 -12.116 3.293 489 H ASN 63 H ASN 63 4.457 -13.227 2.939 490 HA ASN 63 HA ASN 63 7.030 -11.955 2.837 491 HB2 ASN 63 2HB ASN 63 7.880 -14.217 2.336 492 HB3 ASN 63 1HB ASN 63 6.827 -14.205 3.742 493 HD21 ASN 63 1HD2 ASN 63 7.381 -15.528 0.649 494 HD22 ASN 63 2HD2 ASN 63 5.950 -16.492 0.556 495 H ARG 64 H ARG 64 5.176 -10.967 0.854 496 HA ARG 64 HA ARG 64 5.956 -12.092 -1.683 497 HB2 ARG 64 2HB ARG 64 4.114 -11.043 -2.374 498 HB3 ARG 64 1HB ARG 64 3.910 -10.385 -0.761 499 HG2 ARG 64 2HG ARG 64 3.966 -8.412 -1.831 500 HG3 ARG 64 1HG ARG 64 5.713 -8.644 -1.786 501 HD2 ARG 64 2HD ARG 64 5.695 -9.572 -4.010 502 HD3 ARG 64 1HD ARG 64 3.933 -9.537 -4.051 503 HE ARG 64 HE ARG 64 4.019 -7.144 -4.182 504 HH11 ARG 64 1HH1 ARG 64 7.160 -8.690 -4.469 505 HH12 ARG 64 2HH1 ARG 64 7.870 -7.352 -5.311 506 HH21 ARG 64 1HH2 ARG 64 4.950 -5.392 -5.263 507 HH22 ARG 64 2HH2 ARG 64 6.621 -5.466 -5.755 508 H PHE 65 H PHE 65 7.348 -9.958 0.502 509 HA PHE 65 HA PHE 65 9.222 -8.695 0.502 510 HB2 PHE 65 2HB PHE 65 10.109 -10.688 -0.821 511 HB3 PHE 65 1HB PHE 65 9.834 -9.726 -2.267 512 HD1 PHE 65 HD1 PHE 65 11.627 -9.702 0.980 513 HD2 PHE 65 HD2 PHE 65 11.452 -8.237 -3.009 514 HE1 PHE 65 HE1 PHE 65 13.835 -8.657 1.271 515 HE2 PHE 65 HE2 PHE 65 13.662 -7.193 -2.728 516 HZ PHE 65 HZ PHE 65 14.859 -7.405 -0.583 517 H LEU 66 H LEU 66 7.866 -6.861 0.464 518 HA LEU 66 HA LEU 66 7.405 -5.563 -2.108 519 HB2 LEU 66 2HB LEU 66 5.571 -5.710 -0.435 520 HB3 LEU 66 1HB LEU 66 6.532 -4.739 0.663 521 HG LEU 66 HG LEU 66 6.494 -2.923 -1.133 522 HD11 LEU 66 1HD1 LEU 66 5.795 -4.334 -2.998 523 HD12 LEU 66 2HD1 LEU 66 4.642 -3.027 -2.719 524 HD13 LEU 66 3HD1 LEU 66 4.270 -4.666 -2.183 525 HD21 LEU 66 3HD2 LEU 66 4.292 -2.136 -0.443 526 HD22 LEU 66 1HD2 LEU 66 5.181 -2.801 0.925 527 HD23 LEU 66 2HD2 LEU 66 3.899 -3.742 0.167 528 H TYR 67 H TYR 67 8.659 -3.954 -2.829 529 HA TYR 67 HA TYR 67 10.931 -3.122 -1.292 530 HB2 TYR 67 2HB TYR 67 9.869 -2.443 -4.022 531 HB3 TYR 67 1HB TYR 67 11.164 -1.490 -3.312 532 HD1 TYR 67 HD2 TYR 67 10.237 -4.801 -4.627 533 HD2 TYR 67 HD1 TYR 67 13.391 -2.369 -3.129 534 HE1 TYR 67 HE2 TYR 67 11.879 -6.433 -5.451 535 HE2 TYR 67 HE1 TYR 67 15.042 -3.995 -3.954 536 HH TYR 67 HH TYR 67 15.300 -6.125 -4.732 537 H LYS 68 H LYS 68 10.133 -2.049 0.516 538 HA LYS 68 HA LYS 68 8.136 -0.100 0.514 539 HB2 LYS 68 2HB LYS 68 8.707 0.359 2.718 540 HB3 LYS 68 1HB LYS 68 9.256 -1.297 2.507 541 HG2 LYS 68 2HG LYS 68 11.189 -0.583 3.403 542 HG3 LYS 68 1HG LYS 68 11.488 0.162 1.828 543 HD2 LYS 68 2HD LYS 68 10.611 2.258 2.579 544 HD3 LYS 68 1HD LYS 68 10.042 1.544 4.089 545 HE2 LYS 68 2HE LYS 68 11.990 2.350 4.923 546 HE3 LYS 68 1HE LYS 68 12.687 0.918 4.172 547 HZ1 LYS 68 3HZ LYS 68 13.890 2.949 3.625 548 HZ2 LYS 68 1HZ LYS 68 12.504 3.588 2.892 549 HZ3 LYS 68 2HZ LYS 68 13.257 2.205 2.245 550 H GLU 69 H GLU 69 11.369 0.062 -0.589 551 HA GLU 69 HA GLU 69 11.938 2.781 -0.301 552 HB2 GLU 69 2HB GLU 69 12.727 1.034 -2.650 553 HB3 GLU 69 1HB GLU 69 13.531 2.503 -2.118 554 HG2 GLU 69 2HG GLU 69 13.511 -0.194 -0.813 555 HG3 GLU 69 1HG GLU 69 14.884 0.752 -1.379 556 H GLN 70 H GLN 70 10.209 0.994 -2.798 557 HA GLN 70 HA GLN 70 9.750 3.121 -4.592 558 HB2 GLN 70 2HB GLN 70 8.177 0.580 -4.120 559 HB3 GLN 70 1HB GLN 70 7.929 1.667 -5.480 560 HG2 GLN 70 2HG GLN 70 10.628 0.469 -4.980 561 HG3 GLN 70 1HG GLN 70 9.374 -0.458 -5.809 562 HE21 GLN 70 1HE2 GLN 70 8.284 0.806 -7.612 563 HE22 GLN 70 2HE2 GLN 70 9.332 1.699 -8.656 564 H GLU 71 H GLU 71 7.798 1.751 -1.981 565 HA GLU 71 HA GLU 71 5.551 3.415 -2.340 566 HB2 GLU 71 2HB GLU 71 5.996 1.250 -0.827 567 HB3 GLU 71 1HB GLU 71 6.259 2.486 0.397 568 HG2 GLU 71 2HG GLU 71 3.976 3.411 -0.440 569 HG3 GLU 71 1HG GLU 71 3.776 1.783 -1.091 570 H GLU 72 H GLU 72 8.392 3.651 -0.257 571 HA GLU 72 HA GLU 72 7.681 5.994 1.098 572 HB2 GLU 72 2HB GLU 72 9.523 4.346 1.660 573 HB3 GLU 72 1HB GLU 72 10.496 5.153 0.439 574 HG2 GLU 72 2HG GLU 72 10.721 7.066 1.684 575 HG3 GLU 72 1HG GLU 72 9.250 6.767 2.612 576 H GLN 73 H GLN 73 9.664 5.589 -1.848 577 HA GLN 73 HA GLN 73 10.378 8.275 -2.143 578 HB2 GLN 73 2HB GLN 73 11.048 7.751 -4.366 579 HB3 GLN 73 1HB GLN 73 11.369 6.330 -3.386 580 HG2 GLN 73 2HG GLN 73 9.092 5.491 -4.218 581 HG3 GLN 73 1HG GLN 73 9.242 6.747 -5.443 582 HE21 GLN 73 1HE2 GLN 73 9.314 5.178 -7.080 583 HE22 GLN 73 2HE2 GLN 73 10.731 4.232 -7.361 584 H LEU 74 H LEU 74 7.400 6.637 -3.065 585 HA LEU 74 HA LEU 74 6.515 8.949 -4.568 586 HB2 LEU 74 2HB LEU 74 4.566 7.733 -5.125 587 HB3 LEU 74 1HB LEU 74 5.901 6.605 -5.220 588 HG LEU 74 HG LEU 74 5.056 6.138 -2.691 589 HD11 LEU 74 1HD1 LEU 74 3.174 7.688 -2.873 590 HD12 LEU 74 2HD1 LEU 74 2.613 6.027 -2.703 591 HD13 LEU 74 3HD1 LEU 74 2.579 6.810 -4.282 592 HD21 LEU 74 3HD2 LEU 74 3.994 4.895 -5.221 593 HD22 LEU 74 1HD2 LEU 74 3.929 4.167 -3.618 594 HD23 LEU 74 2HD2 LEU 74 5.487 4.459 -4.389 595 H THR 75 H THR 75 6.141 7.628 -1.370 596 HA THR 75 HA THR 75 3.903 9.247 -0.647 597 HB THR 75 HB THR 75 5.885 7.906 1.203 598 HG1 THR 75 HG1 THR 75 4.975 6.341 -0.145 599 HG21 THR 75 3HG2 THR 75 3.026 8.788 1.623 600 HG22 THR 75 1HG2 THR 75 4.458 9.537 2.324 601 HG23 THR 75 2HG2 THR 75 4.003 7.898 2.791 602 H GLU 76 H GLU 76 7.356 9.654 -0.654 603 HA GLU 76 HA GLU 76 7.822 11.616 1.199 604 HB2 GLU 76 2HB GLU 76 9.012 11.028 -1.478 605 HB3 GLU 76 1HB GLU 76 9.528 12.458 -0.599 606 HG2 GLU 76 2HG GLU 76 10.243 11.105 1.267 607 HG3 GLU 76 1HG GLU 76 9.631 9.649 0.481 608 H LEU 77 H LEU 77 6.409 12.058 -2.013 609 HA LEU 77 HA LEU 77 6.547 14.874 -2.075 610 HB2 LEU 77 2HB LEU 77 4.819 12.865 -3.478 611 HB3 LEU 77 1HB LEU 77 4.549 14.583 -3.692 612 HG LEU 77 HG LEU 77 7.140 14.561 -4.264 613 HD11 LEU 77 1HD1 LEU 77 7.573 12.251 -3.848 614 HD12 LEU 77 2HD1 LEU 77 7.650 12.513 -5.591 615 HD13 LEU 77 3HD1 LEU 77 6.225 11.758 -4.876 616 HD21 LEU 77 3HD2 LEU 77 5.009 13.662 -6.194 617 HD22 LEU 77 1HD2 LEU 77 6.546 14.419 -6.610 618 HD23 LEU 77 2HD2 LEU 77 5.326 15.332 -5.721 619 H ILE 78 H ILE 78 4.295 12.687 -0.567 620 HA ILE 78 HA ILE 78 2.531 14.919 0.142 621 HB ILE 78 HB ILE 78 2.089 11.981 0.693 622 HG12 ILE 78 2HG1 ILE 78 0.589 13.342 -1.467 623 HG13 ILE 78 1HG1 ILE 78 2.283 12.999 -1.801 624 HG21 ILE 78 1HG2 ILE 78 -0.239 12.617 0.967 625 HG22 ILE 78 2HG2 ILE 78 0.157 14.297 0.609 626 HG23 ILE 78 3HG2 ILE 78 0.780 13.535 2.074 627 HD11 ILE 78 3HD1 ILE 78 0.239 10.963 -0.948 628 HD12 ILE 78 1HD1 ILE 78 1.922 10.650 -1.372 629 HD13 ILE 78 2HD1 ILE 78 0.794 11.231 -2.600 630 H ALA 79 H ALA 79 4.834 12.691 1.492 631 HA ALA 79 HA ALA 79 4.172 12.845 4.212 632 HB1 ALA 79 1HB ALA 79 5.643 11.139 3.364 633 HB2 ALA 79 2HB ALA 79 6.485 12.081 4.595 634 HB3 ALA 79 3HB ALA 79 6.831 12.352 2.889 635 H SER 80 H SER 80 5.629 15.163 2.152 636 HA SER 80 HA SER 80 7.063 16.588 4.180 637 HB2 SER 80 2HB SER 80 6.635 18.351 2.083 638 HB3 SER 80 1HB SER 80 8.013 17.262 2.254 639 HG SER 80 HG SER 80 7.090 15.835 0.887 640 H LYS 81 H LYS 81 3.824 16.314 3.324 641 HA LYS 81 HA LYS 81 3.045 18.425 5.149 642 HB2 LYS 81 2HB LYS 81 1.391 19.327 3.436 643 HB3 LYS 81 1HB LYS 81 3.077 19.762 3.186 644 HG2 LYS 81 2HG LYS 81 3.303 18.321 1.350 645 HG3 LYS 81 1HG LYS 81 1.874 17.387 1.795 646 HD2 LYS 81 2HD LYS 81 0.414 19.107 1.095 647 HD3 LYS 81 1HD LYS 81 1.728 20.280 0.981 648 HE2 LYS 81 2HE LYS 81 2.645 19.195 -0.920 649 HE3 LYS 81 1HE LYS 81 1.595 17.796 -0.711 650 HZ1 LYS 81 3HZ LYS 81 0.921 19.364 -2.500 651 HZ2 LYS 81 1HZ LYS 81 0.589 20.516 -1.311 652 HZ3 LYS 81 2HZ LYS 81 -0.280 19.071 -1.348 653 H LYS 82 H LYS 82 2.879 15.753 5.541 654 HA LYS 82 HA LYS 82 0.366 14.721 4.597 655 HB2 LYS 82 2HB LYS 82 0.866 12.769 6.053 656 HB3 LYS 82 1HB LYS 82 2.111 13.128 4.872 657 HG2 LYS 82 2HG LYS 82 3.630 13.771 6.466 658 HG3 LYS 82 1HG LYS 82 2.379 14.237 7.623 659 HD2 LYS 82 2HD LYS 82 1.803 11.814 7.855 660 HD3 LYS 82 1HD LYS 82 3.200 11.439 6.847 661 HE2 LYS 82 2HE LYS 82 4.688 12.446 8.484 662 HE3 LYS 82 1HE LYS 82 3.312 12.941 9.467 663 HZ1 LYS 82 3HZ LYS 82 4.001 10.121 8.836 664 HZ2 LYS 82 1HZ LYS 82 2.776 10.653 9.874 665 HZ3 LYS 82 2HZ LYS 82 4.399 10.908 10.278 666 H ASP 83 H ASP 83 -0.633 16.771 5.572 667 HA ASP 83 HA ASP 83 -1.215 16.677 8.396 668 HB2 ASP 83 2HB ASP 83 -1.161 18.819 7.152 669 HB3 ASP 83 1HB ASP 83 -2.518 18.276 6.171 670 H LEU 84 H LEU 84 -2.335 15.182 5.609 671 HA LEU 84 HA LEU 84 -5.049 14.723 6.370 672 HB2 LEU 84 2HB LEU 84 -3.388 13.176 4.379 673 HB3 LEU 84 1HB LEU 84 -5.135 13.232 4.470 674 HG LEU 84 HG LEU 84 -4.807 14.644 2.717 675 HD11 LEU 84 1HD1 LEU 84 -5.871 15.899 4.619 676 HD12 LEU 84 2HD1 LEU 84 -5.153 16.889 3.348 677 HD13 LEU 84 3HD1 LEU 84 -4.307 16.668 4.881 678 HD21 LEU 84 3HD2 LEU 84 -2.365 14.416 2.722 679 HD22 LEU 84 1HD2 LEU 84 -2.260 15.668 3.960 680 HD23 LEU 84 2HD2 LEU 84 -2.884 16.062 2.358 681 H PHE 85 H PHE 85 -5.834 12.373 6.505 682 HA PHE 85 HA PHE 85 -4.333 11.103 8.641 683 HB2 PHE 85 2HB PHE 85 -7.062 10.483 7.497 684 HB3 PHE 85 1HB PHE 85 -6.347 9.683 8.892 685 HD1 PHE 85 HD1 PHE 85 -5.591 11.262 10.826 686 HD2 PHE 85 HD2 PHE 85 -8.423 12.319 7.832 687 HE1 PHE 85 HE1 PHE 85 -6.487 13.019 12.299 688 HE2 PHE 85 HE2 PHE 85 -9.329 14.072 9.302 689 HZ PHE 85 HZ PHE 85 -8.356 14.421 11.537 690 H VAL 86 H VAL 86 -2.616 10.572 7.055 691 HA VAL 86 HA VAL 86 -3.252 8.253 5.387 692 HB VAL 86 HB VAL 86 -2.064 9.970 4.199 693 HG11 VAL 86 1HG1 VAL 86 0.018 9.796 6.373 694 HG12 VAL 86 2HG1 VAL 86 -1.037 11.163 6.021 695 HG13 VAL 86 3HG1 VAL 86 0.208 10.691 4.865 696 HG21 VAL 86 3HG2 VAL 86 -1.472 7.737 3.548 697 HG22 VAL 86 1HG2 VAL 86 -0.281 7.625 4.844 698 HG23 VAL 86 2HG2 VAL 86 -0.021 8.739 3.502 699 H HIS 87 H HIS 87 -2.630 6.258 5.910 700 HA HIS 87 HA HIS 87 -0.484 5.858 7.852 701 HB2 HIS 87 2HB HIS 87 -3.335 4.960 8.199 702 HB3 HIS 87 1HB HIS 87 -2.016 4.049 8.920 703 HD1 HIS 87 HD1 HIS 87 -0.868 5.058 10.981 704 HD2 HIS 87 HD2 HIS 87 -3.812 7.490 9.343 705 HE1 HIS 87 HE1 HIS 87 -1.266 6.868 12.677 706 H SER 88 H SER 88 0.869 4.798 6.513 707 HA SER 88 HA SER 88 -0.188 2.629 4.855 708 HB2 SER 88 2HB SER 88 2.659 3.590 4.810 709 HB3 SER 88 1HB SER 88 1.720 2.857 3.512 710 HG SER 88 HG SER 88 2.079 5.209 3.404 711 H ILE 89 H ILE 89 0.322 0.519 5.209 712 HA ILE 89 HA ILE 89 2.492 -0.188 6.987 713 HB ILE 89 HB ILE 89 0.655 0.204 8.573 714 HG12 ILE 89 2HG1 ILE 89 1.203 -2.758 8.295 715 HG13 ILE 89 1HG1 ILE 89 2.373 -1.603 8.927 716 HG21 ILE 89 1HG2 ILE 89 -0.788 -1.936 7.017 717 HG22 ILE 89 2HG2 ILE 89 -1.233 -0.235 7.125 718 HG23 ILE 89 3HG2 ILE 89 -1.319 -1.262 8.553 719 HD11 ILE 89 3HD1 ILE 89 0.782 -1.035 10.724 720 HD12 ILE 89 1HD1 ILE 89 1.281 -2.728 10.749 721 HD13 ILE 89 2HD1 ILE 89 -0.305 -2.283 10.115 722 H ASP 90 H ASP 90 3.291 -2.174 6.594 723 HA ASP 90 HA ASP 90 1.983 -3.744 4.474 724 HB2 ASP 90 2HB ASP 90 4.183 -4.437 3.763 725 HB3 ASP 90 1HB ASP 90 4.223 -2.691 3.968 726 H SER 91 H SER 91 3.346 -6.120 4.706 727 HA SER 91 HA SER 91 3.178 -7.006 7.469 728 HB2 SER 91 2HB SER 91 1.594 -8.384 5.293 729 HB3 SER 91 1HB SER 91 1.600 -8.768 7.013 730 HG SER 91 HG SER 91 0.972 -6.194 6.717 731 H GLU 92 H GLU 92 5.404 -6.690 5.708 732 HA GLU 92 HA GLU 92 6.046 -9.356 4.736 733 HB2 GLU 92 2HB GLU 92 8.134 -8.385 3.910 734 HB3 GLU 92 1HB GLU 92 6.750 -7.441 3.386 735 HG2 GLU 92 2HG GLU 92 8.029 -5.713 4.019 736 HG3 GLU 92 1HG GLU 92 7.416 -6.094 5.623 737 H VAL 93 H VAL 93 8.689 -9.690 5.244 738 HA VAL 93 HA VAL 93 8.890 -9.735 8.171 739 HB VAL 93 HB VAL 93 8.259 -11.962 7.652 740 HG11 VAL 93 1HG1 VAL 93 10.313 -11.871 5.447 741 HG12 VAL 93 2HG1 VAL 93 8.562 -12.005 5.278 742 HG13 VAL 93 3HG1 VAL 93 9.487 -13.337 5.972 743 HG21 VAL 93 3HG2 VAL 93 11.268 -11.961 7.864 744 HG22 VAL 93 1HG2 VAL 93 10.182 -13.274 8.318 745 HG23 VAL 93 2HG2 VAL 93 10.150 -11.754 9.211 746 H ILE 94 H ILE 94 10.713 -8.877 8.894 747 HA ILE 94 HA ILE 94 12.654 -7.768 7.206 748 HB ILE 94 HB ILE 94 12.617 -8.278 10.171 749 HG12 ILE 94 2HG1 ILE 94 11.140 -6.524 9.290 750 HG13 ILE 94 1HG1 ILE 94 12.418 -5.844 10.294 751 HG21 ILE 94 1HG2 ILE 94 14.805 -6.904 8.618 752 HG22 ILE 94 2HG2 ILE 94 14.945 -8.424 9.497 753 HG23 ILE 94 3HG2 ILE 94 14.652 -6.923 10.375 754 HD11 ILE 94 3HD1 ILE 94 12.114 -4.457 8.371 755 HD12 ILE 94 1HD1 ILE 94 12.270 -5.837 7.287 756 HD13 ILE 94 2HD1 ILE 94 13.663 -5.285 8.218 757 H THR 95 H THR 95 14.162 -8.730 6.088 758 HA THR 95 HA THR 95 15.806 -10.788 7.262 759 HB THR 95 HB THR 95 13.869 -12.042 6.278 760 HG1 THR 95 HG1 THR 95 15.581 -13.155 4.674 761 HG21 THR 95 3HG2 THR 95 13.670 -12.221 3.854 762 HG22 THR 95 1HG2 THR 95 14.953 -11.032 3.643 763 HG23 THR 95 2HG2 THR 95 13.419 -10.555 4.369 764 H LYS 96 H LYS 96 17.804 -11.023 6.156 765 HA LYS 96 HA LYS 96 18.456 -8.716 4.522 766 HB2 LYS 96 2HB LYS 96 19.863 -9.688 6.484 767 HB3 LYS 96 1HB LYS 96 20.412 -10.856 5.293 768 HG2 LYS 96 2HG LYS 96 21.149 -8.966 3.860 769 HG3 LYS 96 1HG LYS 96 20.734 -7.868 5.177 770 HD2 LYS 96 2HD LYS 96 22.291 -9.239 6.631 771 HD3 LYS 96 1HD LYS 96 22.842 -10.015 5.146 772 HE2 LYS 96 2HE LYS 96 22.995 -7.087 5.836 773 HE3 LYS 96 1HE LYS 96 24.340 -8.217 5.699 774 HZ1 LYS 96 3HZ LYS 96 23.615 -8.506 3.316 775 HZ2 LYS 96 1HZ LYS 96 24.297 -7.013 3.708 776 HZ3 LYS 96 2HZ LYS 96 22.625 -7.154 3.539 777 H LYS 97 H LYS 97 17.326 -9.291 2.624 778 HA LYS 97 HA LYS 97 18.356 -11.628 1.185 779 HB2 LYS 97 2HB LYS 97 15.930 -11.481 1.335 780 HB3 LYS 97 1HB LYS 97 15.960 -9.865 0.644 781 HG2 LYS 97 2HG LYS 97 15.262 -11.537 -1.011 782 HG3 LYS 97 1HG LYS 97 16.778 -10.765 -1.476 783 HD2 LYS 97 2HD LYS 97 17.033 -13.078 -1.914 784 HD3 LYS 97 1HD LYS 97 17.969 -12.738 -0.463 785 HE2 LYS 97 2HE LYS 97 16.219 -13.645 0.931 786 HE3 LYS 97 1HE LYS 97 15.173 -13.865 -0.470 787 HZ1 LYS 97 3HZ LYS 97 16.540 -15.569 -1.290 788 HZ2 LYS 97 1HZ LYS 97 16.377 -15.891 0.360 789 HZ3 LYS 97 2HZ LYS 97 17.803 -15.202 -0.227 790 H GLU 98 H GLU 98 19.924 -11.313 -0.257 791 HA GLU 98 HA GLU 98 20.664 -8.662 -1.086 792 HB2 GLU 98 2HB GLU 98 21.828 -11.125 -2.318 793 HB3 GLU 98 1HB GLU 98 22.621 -9.615 -1.880 794 HG2 GLU 98 2HG GLU 98 22.110 -10.334 0.552 795 HG3 GLU 98 1HG GLU 98 21.880 -11.936 -0.149 796 H ALA 99 H ALA 99 18.427 -8.435 -2.041 797 HA ALA 99 HA ALA 99 18.167 -9.641 -4.685 798 HB1 ALA 99 1HB ALA 99 16.170 -9.743 -3.396 799 HB2 ALA 99 2HB ALA 99 15.915 -8.529 -4.651 800 HB3 ALA 99 3HB ALA 99 16.267 -8.030 -2.997 801 H GLN 100 H GLN 100 19.762 -8.543 -5.799 802 HA GLN 100 HA GLN 100 19.965 -5.708 -5.869 803 HB2 GLN 100 2HB GLN 100 21.824 -7.263 -6.430 804 HB3 GLN 100 1HB GLN 100 20.948 -7.750 -7.876 805 HG2 GLN 100 2HG GLN 100 22.733 -6.118 -8.360 806 HG3 GLN 100 1HG GLN 100 21.130 -5.519 -8.793 807 HE21 GLN 100 1HE2 GLN 100 21.880 -3.384 -8.713 808 HE22 GLN 100 2HE2 GLN 100 22.160 -2.583 -7.208 809 H GLN 101 H GLN 101 19.043 -4.239 -7.265 810 HA GLN 101 HA GLN 101 16.664 -5.087 -8.614 811 HB2 GLN 101 2HB GLN 101 17.185 -2.823 -7.391 812 HB3 GLN 101 1HB GLN 101 17.812 -2.349 -8.967 813 HG2 GLN 101 2HG GLN 101 15.609 -1.605 -9.039 814 HG3 GLN 101 1HG GLN 101 15.526 -3.160 -9.869 815 HE21 GLN 101 1HE2 GLN 101 14.462 -4.870 -8.889 816 HE22 GLN 101 2HE2 GLN 101 13.453 -4.667 -7.501 817 H ILE 102 H ILE 102 18.182 -6.571 -9.928 818 HA ILE 102 HA ILE 102 18.793 -5.187 -12.455 819 HB ILE 102 HB ILE 102 20.882 -5.956 -11.581 820 HG12 ILE 102 2HG1 ILE 102 21.533 -7.716 -13.261 821 HG13 ILE 102 1HG1 ILE 102 19.836 -7.818 -13.716 822 HG21 ILE 102 1HG2 ILE 102 19.600 -8.655 -11.205 823 HG22 ILE 102 2HG2 ILE 102 20.097 -7.539 -9.932 824 HG23 ILE 102 3HG2 ILE 102 21.311 -8.293 -10.966 825 HD11 ILE 102 3HD1 ILE 102 21.135 -6.410 -15.239 826 HD12 ILE 102 1HD1 ILE 102 21.539 -5.343 -13.897 827 HD13 ILE 102 2HD1 ILE 102 19.862 -5.502 -14.423 828 H ARG 103 H ARG 103 17.253 -5.645 -13.895 829 HA ARG 103 HA ARG 103 16.230 -8.392 -14.024 830 HB2 ARG 103 2HB ARG 103 14.590 -5.849 -14.071 831 HB3 ARG 103 1HB ARG 103 13.963 -7.429 -14.533 832 HG2 ARG 103 2HG ARG 103 15.187 -6.978 -11.825 833 HG3 ARG 103 1HG ARG 103 13.489 -6.601 -12.146 834 HD2 ARG 103 2HD ARG 103 14.327 -9.230 -13.110 835 HD3 ARG 103 1HD ARG 103 14.457 -9.042 -11.361 836 HE ARG 103 HE ARG 103 11.960 -8.063 -12.117 837 HH11 ARG 103 1HH1 ARG 103 13.661 -11.133 -12.124 838 HH12 ARG 103 2HH1 ARG 103 12.207 -12.073 -11.990 839 HH21 ARG 103 1HH2 ARG 103 10.054 -9.314 -11.922 840 HH22 ARG 103 2HH2 ARG 103 10.171 -11.047 -11.879 841 H GLU 104 H GLU 104 15.325 -8.965 -16.075 842 HA GLU 104 HA GLU 104 16.543 -7.463 -18.280 843 HB2 GLU 104 2HB GLU 104 16.846 -10.071 -17.733 844 HB3 GLU 104 1HB GLU 104 15.389 -10.172 -18.711 845 HG2 GLU 104 2HG GLU 104 17.458 -10.497 -20.010 846 HG3 GLU 104 1HG GLU 104 16.498 -9.128 -20.567 847 H GLU 105 H GLU 105 13.941 -7.115 -16.748 848 HA GLU 105 HA GLU 105 12.246 -6.763 -19.100 849 HB2 GLU 105 2HB GLU 105 10.272 -7.432 -17.633 850 HB3 GLU 105 1HB GLU 105 11.310 -8.735 -18.191 851 HG2 GLU 105 2HG GLU 105 12.443 -8.737 -16.009 852 HG3 GLU 105 1HG GLU 105 11.345 -7.473 -15.455 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -31.326 -15.366 -0.666 2 HA2 GLY 1 1HA GLY 1 -32.100 -13.413 0.535 3 HA3 GLY 1 2HA GLY 1 -32.559 -14.457 1.874 4 H SER 2 H SER 2 -30.930 -12.513 2.551 5 HA SER 2 HA SER 2 -28.163 -13.016 2.199 6 HB2 SER 2 2HB SER 2 -29.478 -11.489 4.458 7 HB3 SER 2 1HB SER 2 -27.828 -11.305 3.866 8 HG SER 2 HG SER 2 -30.250 -10.600 2.575 9 H HIS 3 H HIS 3 -26.716 -14.128 3.437 10 HA HIS 3 HA HIS 3 -27.660 -15.442 5.876 11 HB2 HIS 3 2HB HIS 3 -26.783 -16.784 3.365 12 HB3 HIS 3 1HB HIS 3 -26.231 -17.478 4.885 13 HD1 HIS 3 HD1 HIS 3 -27.927 -18.773 6.274 14 HD2 HIS 3 HD2 HIS 3 -29.606 -16.873 2.974 15 HE1 HIS 3 HE1 HIS 3 -30.269 -19.673 6.089 16 H MET 4 H MET 4 -25.778 -16.527 7.004 17 HA MET 4 HA MET 4 -23.622 -14.628 7.181 18 HB2 MET 4 2HB MET 4 -24.510 -15.526 9.237 19 HB3 MET 4 1HB MET 4 -24.238 -17.173 8.690 20 HG2 MET 4 2HG MET 4 -21.824 -16.793 8.737 21 HG3 MET 4 1HG MET 4 -22.099 -15.144 9.295 22 HE1 MET 4 3HE MET 4 -23.363 -15.555 12.897 23 HE2 MET 4 1HE MET 4 -24.304 -15.235 11.442 24 HE3 MET 4 2HE MET 4 -22.737 -14.459 11.665 25 H LYS 5 H LYS 5 -21.735 -14.769 6.171 26 HA LYS 5 HA LYS 5 -21.133 -17.197 4.672 27 HB2 LYS 5 2HB LYS 5 -19.381 -15.828 3.590 28 HB3 LYS 5 1HB LYS 5 -20.979 -15.112 3.445 29 HG2 LYS 5 2HG LYS 5 -20.490 -13.438 5.018 30 HG3 LYS 5 1HG LYS 5 -19.047 -14.278 5.588 31 HD2 LYS 5 2HD LYS 5 -18.332 -12.450 4.223 32 HD3 LYS 5 1HD LYS 5 -18.052 -13.933 3.316 33 HE2 LYS 5 2HE LYS 5 -20.595 -12.399 2.950 34 HE3 LYS 5 1HE LYS 5 -19.120 -11.884 2.134 35 HZ1 LYS 5 3HZ LYS 5 -20.202 -13.284 0.631 36 HZ2 LYS 5 1HZ LYS 5 -20.600 -14.425 1.815 37 HZ3 LYS 5 2HZ LYS 5 -18.997 -14.261 1.304 38 H THR 6 H THR 6 -18.856 -17.948 4.634 39 HA THR 6 HA THR 6 -17.952 -18.331 7.349 40 HB THR 6 HB THR 6 -16.358 -19.411 5.105 41 HG1 THR 6 HG1 THR 6 -18.062 -20.192 4.112 42 HG21 THR 6 3HG2 THR 6 -15.772 -20.212 7.231 43 HG22 THR 6 1HG2 THR 6 -16.766 -21.496 6.554 44 HG23 THR 6 2HG2 THR 6 -17.456 -20.379 7.727 45 H LYS 7 H LYS 7 -15.238 -18.613 7.077 46 HA LYS 7 HA LYS 7 -14.363 -15.901 7.156 47 HB2 LYS 7 2HB LYS 7 -12.199 -16.783 7.792 48 HB3 LYS 7 1HB LYS 7 -13.458 -17.636 8.674 49 HG2 LYS 7 2HG LYS 7 -13.253 -19.548 7.185 50 HG3 LYS 7 1HG LYS 7 -12.061 -18.682 6.215 51 HD2 LYS 7 2HD LYS 7 -10.626 -18.535 8.264 52 HD3 LYS 7 1HD LYS 7 -11.780 -19.597 9.073 53 HE2 LYS 7 2HE LYS 7 -11.354 -21.361 7.498 54 HE3 LYS 7 1HE LYS 7 -10.333 -20.307 6.519 55 HZ1 LYS 7 3HZ LYS 7 -8.841 -20.136 8.481 56 HZ2 LYS 7 1HZ LYS 7 -8.941 -21.690 7.825 57 HZ3 LYS 7 2HZ LYS 7 -9.770 -21.319 9.249 58 H LYS 8 H LYS 8 -12.588 -15.038 5.935 59 HA LYS 8 HA LYS 8 -12.734 -15.896 3.139 60 HB2 LYS 8 2HB LYS 8 -11.807 -13.593 2.685 61 HB3 LYS 8 1HB LYS 8 -13.419 -13.638 3.388 62 HG2 LYS 8 2HG LYS 8 -11.833 -13.499 5.617 63 HG3 LYS 8 1HG LYS 8 -10.944 -12.507 4.459 64 HD2 LYS 8 2HD LYS 8 -12.972 -11.206 4.023 65 HD3 LYS 8 1HD LYS 8 -13.858 -12.200 5.179 66 HE2 LYS 8 2HE LYS 8 -11.384 -10.962 6.195 67 HE3 LYS 8 1HE LYS 8 -12.685 -9.845 5.782 68 HZ1 LYS 8 3HZ LYS 8 -12.912 -12.155 7.637 69 HZ2 LYS 8 1HZ LYS 8 -14.168 -11.098 7.228 70 HZ3 LYS 8 2HZ LYS 8 -12.829 -10.529 8.086 71 H GLN 9 H GLN 9 -10.865 -16.002 1.861 72 HA GLN 9 HA GLN 9 -8.458 -16.703 3.368 73 HB2 GLN 9 2HB GLN 9 -9.303 -17.236 0.511 74 HB3 GLN 9 1HB GLN 9 -7.705 -17.626 1.127 75 HG2 GLN 9 2HG GLN 9 -8.932 -19.620 1.207 76 HG3 GLN 9 1HG GLN 9 -8.872 -19.037 2.867 77 HE21 GLN 9 1HE2 GLN 9 -10.703 -20.248 3.416 78 HE22 GLN 9 2HE2 GLN 9 -12.288 -19.775 2.918 79 H GLN 10 H GLN 10 -9.191 -15.065 0.291 80 HA GLN 10 HA GLN 10 -7.120 -13.078 0.934 81 HB2 GLN 10 2HB GLN 10 -7.810 -14.279 -1.760 82 HB3 GLN 10 1HB GLN 10 -6.744 -12.900 -1.538 83 HG2 GLN 10 2HG GLN 10 -5.012 -14.190 -1.006 84 HG3 GLN 10 1HG GLN 10 -5.971 -15.161 0.107 85 HE21 GLN 10 1HE2 GLN 10 -4.726 -14.884 -3.111 86 HE22 GLN 10 2HE2 GLN 10 -5.199 -16.460 -3.646 87 H TYR 11 H TYR 11 -7.716 -10.959 0.664 88 HA TYR 11 HA TYR 11 -10.371 -10.439 -0.490 89 HB2 TYR 11 2HB TYR 11 -9.625 -10.208 2.247 90 HB3 TYR 11 1HB TYR 11 -9.872 -8.585 1.619 91 HD1 TYR 11 HD2 TYR 11 -11.595 -11.880 1.145 92 HD2 TYR 11 HD1 TYR 11 -11.950 -7.759 2.138 93 HE1 TYR 11 HE2 TYR 11 -14.025 -12.156 1.394 94 HE2 TYR 11 HE1 TYR 11 -14.383 -8.026 2.397 95 HH TYR 11 HH TYR 11 -16.172 -9.655 1.477 96 H VAL 12 H VAL 12 -10.705 -8.154 -1.058 97 HA VAL 12 HA VAL 12 -8.444 -6.414 -1.240 98 HB VAL 12 HB VAL 12 -7.883 -7.823 -3.116 99 HG11 VAL 12 1HG1 VAL 12 -10.021 -8.829 -3.582 100 HG12 VAL 12 2HG1 VAL 12 -9.399 -8.071 -5.049 101 HG13 VAL 12 3HG1 VAL 12 -10.672 -7.282 -4.117 102 HG21 VAL 12 3HG2 VAL 12 -7.976 -6.161 -4.969 103 HG22 VAL 12 1HG2 VAL 12 -7.395 -5.501 -3.439 104 HG23 VAL 12 2HG2 VAL 12 -9.046 -5.179 -3.968 105 H THR 13 H THR 13 -9.119 -4.356 -1.223 106 HA THR 13 HA THR 13 -11.586 -3.560 -2.488 107 HB THR 13 HB THR 13 -12.423 -4.351 -0.321 108 HG1 THR 13 HG1 THR 13 -13.463 -2.530 -1.201 109 HG21 THR 13 3HG2 THR 13 -10.638 -2.270 0.943 110 HG22 THR 13 1HG2 THR 13 -10.327 -4.007 0.955 111 HG23 THR 13 2HG2 THR 13 -11.752 -3.361 1.770 112 H ILE 14 H ILE 14 -11.567 -1.413 -3.028 113 HA ILE 14 HA ILE 14 -9.336 0.226 -2.031 114 HB ILE 14 HB ILE 14 -10.215 0.301 -4.911 115 HG12 ILE 14 2HG1 ILE 14 -7.774 -1.173 -3.919 116 HG13 ILE 14 1HG1 ILE 14 -9.312 -1.982 -4.202 117 HG21 ILE 14 1HG2 ILE 14 -9.058 2.261 -4.260 118 HG22 ILE 14 2HG2 ILE 14 -7.908 1.284 -5.167 119 HG23 ILE 14 3HG2 ILE 14 -7.824 1.338 -3.407 120 HD11 ILE 14 3HD1 ILE 14 -7.622 -0.546 -6.231 121 HD12 ILE 14 1HD1 ILE 14 -9.229 -1.193 -6.550 122 HD13 ILE 14 2HD1 ILE 14 -7.911 -2.281 -6.116 123 H LYS 15 H LYS 15 -10.423 1.724 -0.866 124 HA LYS 15 HA LYS 15 -12.913 2.852 -1.904 125 HB2 LYS 15 2HB LYS 15 -12.683 2.108 0.492 126 HB3 LYS 15 1HB LYS 15 -11.527 3.409 0.718 127 HG2 LYS 15 2HG LYS 15 -13.290 4.652 1.340 128 HG3 LYS 15 1HG LYS 15 -13.645 4.744 -0.382 129 HD2 LYS 15 2HD LYS 15 -15.558 3.663 -0.091 130 HD3 LYS 15 1HD LYS 15 -14.735 2.304 0.671 131 HE2 LYS 15 2HE LYS 15 -14.785 3.524 2.831 132 HE3 LYS 15 1HE LYS 15 -15.675 4.831 2.045 133 HZ1 LYS 15 3HZ LYS 15 -17.294 2.939 1.411 134 HZ2 LYS 15 1HZ LYS 15 -17.338 3.577 2.976 135 HZ3 LYS 15 2HZ LYS 15 -16.566 2.104 2.686 136 H GLY 16 H GLY 16 -12.624 4.453 -3.327 137 HA2 GLY 16 2HA GLY 16 -10.990 6.745 -2.512 138 HA3 GLY 16 1HA GLY 16 -10.642 6.003 -4.068 139 H THR 17 H THR 17 -13.844 6.236 -2.696 140 HA THR 17 HA THR 17 -14.776 7.637 -5.041 141 HB THR 17 HB THR 17 -16.987 7.465 -3.566 142 HG1 THR 17 HG1 THR 17 -16.841 5.672 -2.159 143 HG21 THR 17 3HG2 THR 17 -17.373 5.237 -4.545 144 HG22 THR 17 1HG2 THR 17 -15.651 5.098 -4.900 145 HG23 THR 17 2HG2 THR 17 -16.623 6.330 -5.706 146 H LYS 18 H LYS 18 -15.956 8.246 -1.784 147 HA LYS 18 HA LYS 18 -15.542 11.122 -2.237 148 HB2 LYS 18 2HB LYS 18 -17.456 9.711 -0.369 149 HB3 LYS 18 1HB LYS 18 -17.316 11.452 -0.556 150 HG2 LYS 18 2HG LYS 18 -18.105 9.566 -2.769 151 HG3 LYS 18 1HG LYS 18 -19.242 10.465 -1.764 152 HD2 LYS 18 2HD LYS 18 -18.229 12.570 -2.536 153 HD3 LYS 18 1HD LYS 18 -17.138 11.648 -3.572 154 HE2 LYS 18 2HE LYS 18 -19.021 12.496 -4.861 155 HE3 LYS 18 1HE LYS 18 -19.061 10.736 -4.781 156 HZ1 LYS 18 3HZ LYS 18 -20.717 10.899 -3.016 157 HZ2 LYS 18 1HZ LYS 18 -21.247 11.656 -4.432 158 HZ3 LYS 18 2HZ LYS 18 -20.695 12.586 -3.132 159 H ASN 19 H ASN 19 -13.761 8.937 -1.093 160 HA ASN 19 HA ASN 19 -13.074 10.293 1.429 161 HB2 ASN 19 2HB ASN 19 -12.724 7.372 0.685 162 HB3 ASN 19 1HB ASN 19 -12.092 8.107 2.151 163 HD21 ASN 19 1HD2 ASN 19 -14.371 9.782 2.643 164 HD22 ASN 19 2HD2 ASN 19 -15.648 8.734 3.163 165 H GLY 20 H GLY 20 -10.605 9.653 1.924 166 HA2 GLY 20 2HA GLY 20 -9.062 10.857 -0.132 167 HA3 GLY 20 1HA GLY 20 -8.428 10.105 1.326 168 H LEU 21 H LEU 21 -8.155 7.784 1.337 169 HA LEU 21 HA LEU 21 -8.489 6.201 -0.975 170 HB2 LEU 21 2HB LEU 21 -6.650 7.519 -1.860 171 HB3 LEU 21 1HB LEU 21 -5.685 7.178 -0.436 172 HG LEU 21 HG LEU 21 -5.633 4.800 -1.036 173 HD11 LEU 21 1HD1 LEU 21 -6.382 4.160 -3.334 174 HD12 LEU 21 2HD1 LEU 21 -7.231 5.703 -3.419 175 HD13 LEU 21 3HD1 LEU 21 -7.684 4.513 -2.200 176 HD21 LEU 21 3HD2 LEU 21 -3.851 6.271 -1.792 177 HD22 LEU 21 1HD2 LEU 21 -4.755 6.630 -3.261 178 HD23 LEU 21 2HD2 LEU 21 -4.163 4.995 -2.969 179 H THR 22 H THR 22 -9.237 4.607 0.308 180 HA THR 22 HA THR 22 -7.350 3.516 2.297 181 HB THR 22 HB THR 22 -10.275 2.883 2.424 182 HG1 THR 22 HG1 THR 22 -9.182 5.384 2.723 183 HG21 THR 22 3HG2 THR 22 -9.775 2.782 4.831 184 HG22 THR 22 1HG2 THR 22 -8.107 3.243 4.491 185 HG23 THR 22 2HG2 THR 22 -8.737 1.708 3.893 186 H LEU 23 H LEU 23 -6.342 1.888 1.272 187 HA LEU 23 HA LEU 23 -8.018 -0.011 -0.212 188 HB2 LEU 23 2HB LEU 23 -6.078 -0.536 -1.618 189 HB3 LEU 23 1HB LEU 23 -6.570 1.136 -1.767 190 HG LEU 23 HG LEU 23 -4.356 0.489 0.125 191 HD11 LEU 23 1HD1 LEU 23 -3.853 -0.776 -1.937 192 HD12 LEU 23 2HD1 LEU 23 -2.725 0.547 -1.662 193 HD13 LEU 23 3HD1 LEU 23 -4.006 0.713 -2.862 194 HD21 LEU 23 3HD2 LEU 23 -3.599 2.681 -1.179 195 HD22 LEU 23 1HD2 LEU 23 -4.709 2.742 0.188 196 HD23 LEU 23 2HD2 LEU 23 -5.336 2.801 -1.457 197 H HIS 24 H HIS 24 -7.783 -2.141 0.171 198 HA HIS 24 HA HIS 24 -5.764 -2.996 2.107 199 HB2 HIS 24 2HB HIS 24 -7.743 -2.464 3.432 200 HB3 HIS 24 1HB HIS 24 -8.743 -3.465 2.390 201 HD1 HIS 24 HD1 HIS 24 -9.415 -4.729 4.617 202 HD2 HIS 24 HD2 HIS 24 -5.442 -5.139 3.473 203 HE1 HIS 24 HE1 HIS 24 -8.533 -6.689 5.919 204 H LEU 25 H LEU 25 -4.770 -4.758 1.356 205 HA LEU 25 HA LEU 25 -6.301 -6.662 -0.281 206 HB2 LEU 25 2HB LEU 25 -4.917 -5.449 -1.819 207 HB3 LEU 25 1HB LEU 25 -3.520 -5.601 -0.772 208 HG LEU 25 HG LEU 25 -3.663 -8.115 -1.170 209 HD11 LEU 25 1HD1 LEU 25 -4.803 -8.816 -3.221 210 HD12 LEU 25 2HD1 LEU 25 -5.488 -7.199 -3.385 211 HD13 LEU 25 3HD1 LEU 25 -5.935 -8.208 -2.011 212 HD21 LEU 25 3HD2 LEU 25 -2.004 -6.603 -2.225 213 HD22 LEU 25 1HD2 LEU 25 -3.109 -6.395 -3.585 214 HD23 LEU 25 2HD2 LEU 25 -2.434 -7.986 -3.233 215 H ASP 26 H ASP 26 -6.026 -8.773 0.257 216 HA ASP 26 HA ASP 26 -3.940 -9.400 2.247 217 HB2 ASP 26 2HB ASP 26 -6.731 -10.560 2.142 218 HB3 ASP 26 1HB ASP 26 -5.488 -10.961 3.320 219 H ASP 27 H ASP 27 -2.942 -9.846 -0.008 220 HA ASP 27 HA ASP 27 -3.317 -12.711 -0.539 221 HB2 ASP 27 2HB ASP 27 -4.365 -11.063 -2.303 222 HB3 ASP 27 1HB ASP 27 -2.695 -10.877 -2.828 223 H ALA 28 H ALA 28 -1.493 -13.590 0.107 224 HA ALA 28 HA ALA 28 1.006 -12.124 -0.084 225 HB1 ALA 28 1HB ALA 28 1.932 -13.985 1.231 226 HB2 ALA 28 2HB ALA 28 0.371 -14.801 1.147 227 HB3 ALA 28 3HB ALA 28 0.517 -13.261 1.996 228 H CYS 29 H CYS 29 2.802 -12.784 -1.180 229 HA CYS 29 HA CYS 29 4.065 -13.683 -2.827 230 HB2 CYS 29 2HB CYS 29 2.236 -16.078 -2.612 231 HB3 CYS 29 1HB CYS 29 3.846 -16.050 -3.324 232 HG CYS 29 HG CYS 29 4.415 -17.284 -1.037 233 H SER 30 H SER 30 1.827 -12.036 -3.580 234 HA SER 30 HA SER 30 1.450 -13.038 -6.316 235 HB2 SER 30 2HB SER 30 -0.664 -11.569 -4.731 236 HB3 SER 30 1HB SER 30 -0.839 -12.264 -6.344 237 HG SER 30 HG SER 30 -1.497 -13.458 -4.211 238 H PHE 31 H PHE 31 0.810 -11.259 -7.839 239 HA PHE 31 HA PHE 31 2.480 -8.937 -7.321 240 HB2 PHE 31 2HB PHE 31 1.375 -10.259 -9.731 241 HB3 PHE 31 1HB PHE 31 1.568 -8.513 -9.823 242 HD1 PHE 31 HD1 PHE 31 3.421 -11.630 -9.010 243 HD2 PHE 31 HD2 PHE 31 3.629 -7.592 -10.337 244 HE1 PHE 31 HE1 PHE 31 5.808 -11.925 -9.523 245 HE2 PHE 31 HE2 PHE 31 6.018 -7.879 -10.850 246 HZ PHE 31 HZ PHE 31 7.110 -10.050 -10.442 247 H ASP 32 H ASP 32 1.635 -7.144 -6.523 248 HA ASP 32 HA ASP 32 -1.244 -6.751 -6.495 249 HB2 ASP 32 2HB ASP 32 -0.628 -4.808 -4.989 250 HB3 ASP 32 1HB ASP 32 -0.204 -6.405 -4.390 251 H GLU 33 H GLU 33 0.304 -6.408 -8.974 252 HA GLU 33 HA GLU 33 0.793 -3.785 -9.687 253 HB2 GLU 33 2HB GLU 33 0.390 -4.492 -12.012 254 HB3 GLU 33 1HB GLU 33 1.369 -5.652 -11.129 255 HG2 GLU 33 2HG GLU 33 -0.656 -7.040 -10.796 256 HG3 GLU 33 1HG GLU 33 -1.556 -5.899 -11.788 257 H LEU 34 H LEU 34 -2.300 -5.491 -9.636 258 HA LEU 34 HA LEU 34 -3.792 -3.403 -10.854 259 HB2 LEU 34 2HB LEU 34 -4.557 -5.801 -9.208 260 HB3 LEU 34 1HB LEU 34 -5.754 -4.661 -9.794 261 HG LEU 34 HG LEU 34 -3.857 -6.077 -11.656 262 HD11 LEU 34 1HD1 LEU 34 -5.067 -7.791 -10.443 263 HD12 LEU 34 2HD1 LEU 34 -5.675 -7.665 -12.095 264 HD13 LEU 34 3HD1 LEU 34 -6.595 -6.967 -10.762 265 HD21 LEU 34 3HD2 LEU 34 -5.643 -5.571 -13.289 266 HD22 LEU 34 1HD2 LEU 34 -4.928 -4.123 -12.583 267 HD23 LEU 34 2HD2 LEU 34 -6.507 -4.686 -12.033 268 H LEU 35 H LEU 35 -2.845 -4.127 -7.578 269 HA LEU 35 HA LEU 35 -4.681 -2.260 -6.388 270 HB2 LEU 35 2HB LEU 35 -3.777 -4.321 -5.261 271 HB3 LEU 35 1HB LEU 35 -2.233 -3.499 -5.149 272 HG LEU 35 HG LEU 35 -3.575 -1.653 -3.911 273 HD11 LEU 35 1HD1 LEU 35 -5.494 -2.525 -2.654 274 HD12 LEU 35 2HD1 LEU 35 -5.406 -4.022 -3.581 275 HD13 LEU 35 3HD1 LEU 35 -5.792 -2.506 -4.392 276 HD21 LEU 35 3HD2 LEU 35 -2.977 -4.337 -2.679 277 HD22 LEU 35 1HD2 LEU 35 -3.243 -2.846 -1.778 278 HD23 LEU 35 2HD2 LEU 35 -1.858 -2.987 -2.860 279 H ASP 36 H ASP 36 -1.198 -2.364 -7.056 280 HA ASP 36 HA ASP 36 -0.528 0.136 -5.992 281 HB2 ASP 36 2HB ASP 36 1.269 -1.324 -6.529 282 HB3 ASP 36 1HB ASP 36 0.719 -1.514 -8.193 283 H GLY 37 H GLY 37 -1.649 -0.799 -9.203 284 HA2 GLY 37 2HA GLY 37 -1.345 1.620 -10.537 285 HA3 GLY 37 1HA GLY 37 -2.587 0.430 -10.896 286 H LEU 38 H LEU 38 -4.173 0.456 -8.725 287 HA LEU 38 HA LEU 38 -5.666 2.846 -9.065 288 HB2 LEU 38 2HB LEU 38 -5.927 0.391 -7.415 289 HB3 LEU 38 1HB LEU 38 -6.784 1.812 -6.856 290 HG LEU 38 HG LEU 38 -8.272 0.443 -8.165 291 HD11 LEU 38 1HD1 LEU 38 -9.106 2.057 -9.675 292 HD12 LEU 38 2HD1 LEU 38 -7.517 2.795 -9.875 293 HD13 LEU 38 3HD1 LEU 38 -8.371 2.942 -8.339 294 HD21 LEU 38 3HD2 LEU 38 -6.248 0.708 -10.378 295 HD22 LEU 38 1HD2 LEU 38 -7.857 0.004 -10.538 296 HD23 LEU 38 2HD2 LEU 38 -6.659 -0.764 -9.496 297 H GLN 39 H GLN 39 -3.509 1.653 -6.546 298 HA GLN 39 HA GLN 39 -3.949 3.618 -4.615 299 HB2 GLN 39 2HB GLN 39 -2.651 1.609 -4.150 300 HB3 GLN 39 1HB GLN 39 -1.407 2.118 -5.282 301 HG2 GLN 39 2HG GLN 39 -1.991 4.046 -3.150 302 HG3 GLN 39 1HG GLN 39 -1.323 2.513 -2.599 303 HE21 GLN 39 1HE2 GLN 39 0.274 2.010 -4.913 304 HE22 GLN 39 2HE2 GLN 39 1.578 3.137 -4.889 305 H ASN 40 H ASN 40 -1.411 3.535 -7.128 306 HA ASN 40 HA ASN 40 -0.399 6.117 -6.562 307 HB2 ASN 40 2HB ASN 40 0.798 4.309 -7.832 308 HB3 ASN 40 1HB ASN 40 -0.255 4.644 -9.199 309 HD21 ASN 40 1HD2 ASN 40 2.372 5.800 -7.253 310 HD22 ASN 40 2HD2 ASN 40 2.871 7.071 -8.314 311 H MET 41 H MET 41 -2.791 4.951 -8.879 312 HA MET 41 HA MET 41 -3.175 7.326 -10.304 313 HB2 MET 41 2HB MET 41 -4.020 5.121 -11.015 314 HB3 MET 41 1HB MET 41 -5.194 5.158 -9.709 315 HG2 MET 41 2HG MET 41 -5.979 7.370 -10.818 316 HG3 MET 41 1HG MET 41 -5.121 6.755 -12.228 317 HE1 MET 41 3HE MET 41 -6.940 6.313 -13.950 318 HE2 MET 41 1HE MET 41 -7.899 7.350 -12.891 319 HE3 MET 41 2HE MET 41 -8.583 5.848 -13.509 320 H LEU 42 H LEU 42 -5.160 6.014 -7.652 321 HA LEU 42 HA LEU 42 -6.851 8.257 -7.478 322 HB2 LEU 42 2HB LEU 42 -6.238 6.044 -5.537 323 HB3 LEU 42 1HB LEU 42 -7.461 7.268 -5.239 324 HG LEU 42 HG LEU 42 -7.543 5.602 -7.735 325 HD11 LEU 42 1HD1 LEU 42 -8.495 4.844 -4.991 326 HD12 LEU 42 2HD1 LEU 42 -7.480 3.919 -6.096 327 HD13 LEU 42 3HD1 LEU 42 -9.188 4.161 -6.459 328 HD21 LEU 42 3HD2 LEU 42 -8.976 7.538 -7.678 329 HD22 LEU 42 1HD2 LEU 42 -9.623 7.054 -6.111 330 HD23 LEU 42 2HD2 LEU 42 -9.951 6.075 -7.539 331 H SER 43 H SER 43 -3.887 7.441 -5.712 332 HA SER 43 HA SER 43 -3.957 9.310 -3.687 333 HB2 SER 43 2HB SER 43 -1.674 8.164 -5.272 334 HB3 SER 43 1HB SER 43 -1.381 9.354 -4.008 335 HG SER 43 HG SER 43 -1.839 6.733 -3.764 336 H ILE 44 H ILE 44 -3.005 9.815 -7.048 337 HA ILE 44 HA ILE 44 -2.461 12.636 -6.479 338 HB ILE 44 HB ILE 44 -2.066 11.212 -9.111 339 HG12 ILE 44 2HG1 ILE 44 -0.031 11.644 -6.906 340 HG13 ILE 44 1HG1 ILE 44 -0.808 10.105 -7.260 341 HG21 ILE 44 1HG2 ILE 44 -0.945 13.770 -7.967 342 HG22 ILE 44 2HG2 ILE 44 -2.092 13.618 -9.297 343 HG23 ILE 44 3HG2 ILE 44 -0.437 13.041 -9.491 344 HD11 ILE 44 3HD1 ILE 44 1.373 10.116 -8.232 345 HD12 ILE 44 1HD1 ILE 44 1.055 11.650 -9.043 346 HD13 ILE 44 2HD1 ILE 44 0.182 10.199 -9.530 347 H GLU 45 H GLU 45 -4.846 10.599 -7.914 348 HA GLU 45 HA GLU 45 -6.008 12.505 -9.664 349 HB2 GLU 45 2HB GLU 45 -6.393 10.094 -9.910 350 HB3 GLU 45 1HB GLU 45 -7.251 10.068 -8.378 351 HG2 GLU 45 2HG GLU 45 -8.971 11.521 -9.298 352 HG3 GLU 45 1HG GLU 45 -8.108 11.584 -10.835 353 H GLN 46 H GLN 46 -7.283 11.261 -6.545 354 HA GLN 46 HA GLN 46 -8.134 13.910 -5.807 355 HB2 GLN 46 2HB GLN 46 -10.025 13.622 -7.101 356 HB3 GLN 46 1HB GLN 46 -10.053 11.882 -6.858 357 HG2 GLN 46 2HG GLN 46 -10.489 13.039 -4.324 358 HG3 GLN 46 1HG GLN 46 -11.511 13.919 -5.460 359 HE21 GLN 46 1HE2 GLN 46 -10.793 10.806 -4.063 360 HE22 GLN 46 2HE2 GLN 46 -12.267 10.034 -4.540 361 H TYR 47 H TYR 47 -7.911 14.076 -3.680 362 HA TYR 47 HA TYR 47 -8.537 11.773 -1.983 363 HB2 TYR 47 2HB TYR 47 -6.543 12.328 -0.564 364 HB3 TYR 47 1HB TYR 47 -6.125 11.723 -2.163 365 HD1 TYR 47 HD1 TYR 47 -5.316 13.330 -3.908 366 HD2 TYR 47 HD2 TYR 47 -5.868 14.497 0.146 367 HE1 TYR 47 HE1 TYR 47 -3.905 15.305 -4.289 368 HE2 TYR 47 HE2 TYR 47 -4.461 16.479 -0.228 369 HH TYR 47 HH TYR 47 -2.557 17.107 -1.899 370 H THR 48 H THR 48 -9.838 14.305 -2.761 371 HA THR 48 HA THR 48 -9.788 15.892 -0.331 372 HB THR 48 HB THR 48 -11.659 16.483 -2.574 373 HG1 THR 48 HG1 THR 48 -10.014 17.213 -3.869 374 HG21 THR 48 3HG2 THR 48 -11.522 17.930 -0.578 375 HG22 THR 48 1HG2 THR 48 -11.039 18.779 -2.046 376 HG23 THR 48 2HG2 THR 48 -9.814 18.211 -0.914 377 H ASP 49 H ASP 49 -10.727 14.344 1.064 378 HA ASP 49 HA ASP 49 -13.290 13.198 0.623 379 HB2 ASP 49 2HB ASP 49 -11.761 12.137 2.148 380 HB3 ASP 49 1HB ASP 49 -11.641 13.595 3.125 381 H GLY 50 H GLY 50 -12.159 15.946 2.557 382 HA2 GLY 50 2HA GLY 50 -13.381 17.996 2.634 383 HA3 GLY 50 1HA GLY 50 -14.859 17.089 2.366 384 H LYS 51 H LYS 51 -14.162 15.055 4.381 385 HA LYS 51 HA LYS 51 -14.780 16.678 6.763 386 HB2 LYS 51 2HB LYS 51 -15.376 13.737 6.382 387 HB3 LYS 51 1HB LYS 51 -15.994 14.799 7.637 388 HG2 LYS 51 2HG LYS 51 -17.815 14.896 6.345 389 HG3 LYS 51 1HG LYS 51 -16.882 16.072 5.416 390 HD2 LYS 51 2HD LYS 51 -16.019 14.019 4.103 391 HD3 LYS 51 1HD LYS 51 -17.372 13.162 4.832 392 HE2 LYS 51 2HE LYS 51 -18.953 14.461 3.725 393 HE3 LYS 51 1HE LYS 51 -17.797 15.747 3.383 394 HZ1 LYS 51 3HZ LYS 51 -17.723 13.038 2.172 395 HZ2 LYS 51 1HZ LYS 51 -16.693 14.333 1.807 396 HZ3 LYS 51 2HZ LYS 51 -18.336 14.426 1.420 397 H GLY 52 H GLY 52 -13.022 13.839 5.612 398 HA2 GLY 52 2HA GLY 52 -10.688 14.392 7.097 399 HA3 GLY 52 1HA GLY 52 -11.655 13.217 7.983 400 H GLN 53 H GLN 53 -9.993 13.869 4.981 401 HA GLN 53 HA GLN 53 -10.437 11.474 3.652 402 HB2 GLN 53 2HB GLN 53 -8.003 12.013 2.716 403 HB3 GLN 53 1HB GLN 53 -9.425 12.921 2.225 404 HG2 GLN 53 2HG GLN 53 -7.869 13.869 4.570 405 HG3 GLN 53 1HG GLN 53 -7.212 14.116 2.954 406 HE21 GLN 53 1HE2 GLN 53 -8.318 15.433 1.510 407 HE22 GLN 53 2HE2 GLN 53 -9.486 16.594 2.047 408 H LYS 54 H LYS 54 -10.045 9.492 4.231 409 HA LYS 54 HA LYS 54 -7.866 8.872 6.064 410 HB2 LYS 54 2HB LYS 54 -9.952 7.965 6.746 411 HB3 LYS 54 1HB LYS 54 -10.315 7.386 5.128 412 HG2 LYS 54 2HG LYS 54 -8.681 5.655 5.305 413 HG3 LYS 54 1HG LYS 54 -8.081 6.314 6.827 414 HD2 LYS 54 2HD LYS 54 -9.540 4.341 7.134 415 HD3 LYS 54 1HD LYS 54 -10.156 5.785 7.934 416 HE2 LYS 54 2HE LYS 54 -11.100 5.287 5.171 417 HE3 LYS 54 1HE LYS 54 -11.671 4.174 6.412 418 HZ1 LYS 54 3HZ LYS 54 -12.214 6.356 7.679 419 HZ2 LYS 54 1HZ LYS 54 -13.259 5.814 6.467 420 HZ3 LYS 54 2HZ LYS 54 -12.174 7.062 6.144 421 H ILE 55 H ILE 55 -5.972 8.402 5.145 422 HA ILE 55 HA ILE 55 -5.994 6.908 2.599 423 HB ILE 55 HB ILE 55 -3.703 8.621 3.564 424 HG12 ILE 55 2HG1 ILE 55 -5.820 9.439 1.560 425 HG13 ILE 55 1HG1 ILE 55 -5.801 9.976 3.239 426 HG21 ILE 55 1HG2 ILE 55 -3.780 6.718 1.624 427 HG22 ILE 55 2HG2 ILE 55 -2.664 8.081 1.645 428 HG23 ILE 55 3HG2 ILE 55 -4.147 8.174 0.697 429 HD11 ILE 55 3HD1 ILE 55 -3.671 11.077 2.885 430 HD12 ILE 55 1HD1 ILE 55 -4.862 11.646 1.714 431 HD13 ILE 55 2HD1 ILE 55 -3.626 10.489 1.223 432 H SER 56 H SER 56 -6.241 5.061 4.102 433 HA SER 56 HA SER 56 -3.756 4.359 5.480 434 HB2 SER 56 2HB SER 56 -6.395 2.915 5.669 435 HB3 SER 56 1HB SER 56 -5.025 2.820 6.775 436 HG SER 56 HG SER 56 -5.719 5.362 6.615 437 H VAL 57 H VAL 57 -2.434 3.555 3.955 438 HA VAL 57 HA VAL 57 -3.391 1.632 2.013 439 HB VAL 57 HB VAL 57 -0.537 2.497 2.498 440 HG11 VAL 57 1HG1 VAL 57 -1.871 1.312 0.068 441 HG12 VAL 57 2HG1 VAL 57 -0.795 0.459 1.176 442 HG13 VAL 57 3HG1 VAL 57 -0.178 1.786 0.193 443 HG21 VAL 57 3HG2 VAL 57 -1.894 4.468 2.066 444 HG22 VAL 57 1HG2 VAL 57 -2.566 3.706 0.625 445 HG23 VAL 57 2HG2 VAL 57 -0.853 4.118 0.686 446 H HIS 58 H HIS 58 -3.949 -0.198 3.111 447 HA HIS 58 HA HIS 58 -1.908 -1.407 4.850 448 HB2 HIS 58 2HB HIS 58 -4.895 -1.704 4.695 449 HB3 HIS 58 1HB HIS 58 -3.918 -2.959 5.444 450 HD1 HIS 58 HD1 HIS 58 -5.555 -2.051 7.516 451 HD2 HIS 58 HD2 HIS 58 -2.362 0.337 6.339 452 HE1 HIS 58 HE1 HIS 58 -5.109 -0.510 9.453 453 H VAL 59 H VAL 59 -0.575 -2.443 3.455 454 HA VAL 59 HA VAL 59 -1.793 -4.289 1.523 455 HB VAL 59 HB VAL 59 0.739 -4.399 0.748 456 HG11 VAL 59 1HG1 VAL 59 0.250 -2.555 -0.832 457 HG12 VAL 59 2HG1 VAL 59 -1.165 -2.141 0.138 458 HG13 VAL 59 3HG1 VAL 59 -1.075 -3.705 -0.673 459 HG21 VAL 59 3HG2 VAL 59 1.444 -2.893 2.646 460 HG22 VAL 59 1HG2 VAL 59 0.594 -1.588 1.826 461 HG23 VAL 59 2HG2 VAL 59 1.961 -2.380 1.041 462 H LYS 60 H LYS 60 -2.177 -6.137 2.622 463 HA LYS 60 HA LYS 60 -0.113 -7.220 4.374 464 HB2 LYS 60 2HB LYS 60 -2.797 -7.229 4.630 465 HB3 LYS 60 1HB LYS 60 -2.582 -8.768 3.810 466 HG2 LYS 60 2HG LYS 60 -2.557 -9.289 6.087 467 HG3 LYS 60 1HG LYS 60 -0.859 -9.302 5.604 468 HD2 LYS 60 2HD LYS 60 -0.742 -8.072 7.542 469 HD3 LYS 60 1HD LYS 60 -0.953 -6.787 6.353 470 HE2 LYS 60 2HE LYS 60 -2.434 -6.318 8.150 471 HE3 LYS 60 1HE LYS 60 -3.420 -6.905 6.810 472 HZ1 LYS 60 3HZ LYS 60 -3.433 -9.101 7.865 473 HZ2 LYS 60 1HZ LYS 60 -4.113 -7.923 8.869 474 HZ3 LYS 60 2HZ LYS 60 -2.549 -8.487 9.167 475 H LEU 61 H LEU 61 1.250 -7.345 2.402 476 HA LEU 61 HA LEU 61 0.652 -9.422 0.488 477 HB2 LEU 61 2HB LEU 61 3.188 -7.834 0.855 478 HB3 LEU 61 1HB LEU 61 2.748 -8.788 -0.549 479 HG LEU 61 HG LEU 61 0.981 -6.534 0.300 480 HD11 LEU 61 1HD1 LEU 61 3.146 -5.504 0.273 481 HD12 LEU 61 2HD1 LEU 61 2.278 -5.039 -1.189 482 HD13 LEU 61 3HD1 LEU 61 3.539 -6.269 -1.265 483 HD21 LEU 61 3HD2 LEU 61 0.506 -6.450 -2.091 484 HD22 LEU 61 1HD2 LEU 61 0.230 -8.067 -1.447 485 HD23 LEU 61 2HD2 LEU 61 1.688 -7.726 -2.380 486 H GLY 62 H GLY 62 2.130 -9.260 3.533 487 HA2 GLY 62 2HA GLY 62 3.077 -10.908 4.823 488 HA3 GLY 62 1HA GLY 62 2.677 -12.047 3.547 489 H ASN 63 H ASN 63 4.514 -13.166 3.225 490 HA ASN 63 HA ASN 63 7.095 -11.898 3.363 491 HB2 ASN 63 2HB ASN 63 8.014 -14.114 2.943 492 HB3 ASN 63 1HB ASN 63 6.747 -14.220 4.158 493 HD21 ASN 63 1HD2 ASN 63 4.877 -15.347 3.705 494 HD22 ASN 63 2HD2 ASN 63 4.689 -16.328 2.294 495 H ARG 64 H ARG 64 5.072 -11.208 1.172 496 HA ARG 64 HA ARG 64 6.022 -12.120 -1.307 497 HB2 ARG 64 2HB ARG 64 3.894 -10.864 -0.966 498 HB3 ARG 64 1HB ARG 64 4.832 -9.405 -0.692 499 HG2 ARG 64 2HG ARG 64 5.229 -10.896 -3.238 500 HG3 ARG 64 1HG ARG 64 3.772 -9.926 -3.035 501 HD2 ARG 64 2HD ARG 64 5.332 -8.032 -2.344 502 HD3 ARG 64 1HD ARG 64 6.637 -9.027 -2.981 503 HE ARG 64 HE ARG 64 5.781 -8.736 -5.149 504 HH11 ARG 64 1HH1 ARG 64 3.928 -7.033 -2.729 505 HH12 ARG 64 2HH1 ARG 64 3.140 -5.972 -3.858 506 HH21 ARG 64 1HH2 ARG 64 4.760 -7.322 -6.667 507 HH22 ARG 64 2HH2 ARG 64 3.616 -6.140 -6.096 508 H PHE 65 H PHE 65 7.080 -9.528 0.788 509 HA PHE 65 HA PHE 65 8.912 -8.210 0.860 510 HB2 PHE 65 2HB PHE 65 10.013 -10.497 0.612 511 HB3 PHE 65 1HB PHE 65 10.223 -10.103 -1.090 512 HD1 PHE 65 HD1 PHE 65 11.007 -8.880 2.324 513 HD2 PHE 65 HD2 PHE 65 12.084 -8.904 -1.791 514 HE1 PHE 65 HE1 PHE 65 13.092 -7.699 2.870 515 HE2 PHE 65 HE2 PHE 65 14.174 -7.719 -1.254 516 HZ PHE 65 HZ PHE 65 14.682 -7.116 1.077 517 H LEU 66 H LEU 66 7.875 -6.493 -0.136 518 HA LEU 66 HA LEU 66 8.350 -6.132 -3.011 519 HB2 LEU 66 2HB LEU 66 6.018 -5.914 -2.232 520 HB3 LEU 66 1HB LEU 66 6.507 -4.654 -1.117 521 HG LEU 66 HG LEU 66 7.121 -3.219 -3.025 522 HD11 LEU 66 1HD1 LEU 66 6.149 -5.571 -4.624 523 HD12 LEU 66 2HD1 LEU 66 7.696 -4.731 -4.735 524 HD13 LEU 66 3HD1 LEU 66 6.220 -3.938 -5.281 525 HD21 LEU 66 3HD2 LEU 66 4.899 -3.074 -2.021 526 HD22 LEU 66 1HD2 LEU 66 4.306 -4.288 -3.155 527 HD23 LEU 66 2HD2 LEU 66 4.855 -2.719 -3.747 528 H TYR 67 H TYR 67 9.046 -3.957 -3.700 529 HA TYR 67 HA TYR 67 11.218 -3.014 -2.084 530 HB2 TYR 67 2HB TYR 67 10.104 -1.945 -4.690 531 HB3 TYR 67 1HB TYR 67 11.625 -1.451 -3.951 532 HD1 TYR 67 HD1 TYR 67 13.477 -3.126 -3.741 533 HD2 TYR 67 HD2 TYR 67 9.970 -3.904 -6.017 534 HE1 TYR 67 HE1 TYR 67 14.643 -4.953 -4.901 535 HE2 TYR 67 HE2 TYR 67 11.129 -5.732 -7.186 536 HH TYR 67 HH TYR 67 13.407 -6.426 -7.710 537 H LYS 68 H LYS 68 9.644 -2.570 -0.338 538 HA LYS 68 HA LYS 68 7.685 -0.653 -0.264 539 HB2 LYS 68 2HB LYS 68 9.090 -2.175 1.620 540 HB3 LYS 68 1HB LYS 68 9.340 -0.512 2.120 541 HG2 LYS 68 2HG LYS 68 6.554 -1.259 1.452 542 HG3 LYS 68 1HG LYS 68 7.238 -2.002 2.899 543 HD2 LYS 68 2HD LYS 68 7.273 0.966 2.353 544 HD3 LYS 68 1HD LYS 68 6.013 0.145 3.281 545 HE2 LYS 68 2HE LYS 68 8.918 0.535 3.977 546 HE3 LYS 68 1HE LYS 68 7.488 0.935 4.927 547 HZ1 LYS 68 3HZ LYS 68 8.281 -0.950 5.956 548 HZ2 LYS 68 1HZ LYS 68 8.752 -1.693 4.511 549 HZ3 LYS 68 2HZ LYS 68 7.110 -1.605 4.920 550 H GLU 69 H GLU 69 11.157 -0.150 -0.189 551 HA GLU 69 HA GLU 69 11.097 2.570 0.574 552 HB2 GLU 69 2HB GLU 69 13.111 0.756 -0.669 553 HB3 GLU 69 1HB GLU 69 13.404 2.488 -0.745 554 HG2 GLU 69 2HG GLU 69 14.493 1.427 1.180 555 HG3 GLU 69 1HG GLU 69 13.326 2.657 1.658 556 H GLN 70 H GLN 70 10.654 0.961 -2.486 557 HA GLN 70 HA GLN 70 11.038 3.257 -4.137 558 HB2 GLN 70 2HB GLN 70 9.974 0.503 -4.523 559 HB3 GLN 70 1HB GLN 70 9.439 1.731 -5.663 560 HG2 GLN 70 2HG GLN 70 12.326 1.088 -5.070 561 HG3 GLN 70 1HG GLN 70 11.420 0.476 -6.459 562 HE21 GLN 70 1HE2 GLN 70 10.703 1.988 -8.041 563 HE22 GLN 70 2HE2 GLN 70 11.521 3.497 -8.250 564 H GLU 71 H GLU 71 8.261 1.712 -2.610 565 HA GLU 71 HA GLU 71 6.351 3.517 -3.705 566 HB2 GLU 71 2HB GLU 71 6.332 1.491 -1.496 567 HB3 GLU 71 1HB GLU 71 4.994 2.618 -1.647 568 HG2 GLU 71 2HG GLU 71 4.411 0.586 -2.751 569 HG3 GLU 71 1HG GLU 71 4.658 1.833 -3.973 570 H GLU 72 H GLU 72 8.262 3.374 -0.769 571 HA GLU 72 HA GLU 72 6.990 5.462 0.616 572 HB2 GLU 72 2HB GLU 72 8.594 3.779 1.576 573 HB3 GLU 72 1HB GLU 72 9.898 4.715 0.857 574 HG2 GLU 72 2HG GLU 72 9.297 6.639 2.182 575 HG3 GLU 72 1HG GLU 72 7.908 5.781 2.847 576 H GLN 73 H GLN 73 9.860 5.513 -1.520 577 HA GLN 73 HA GLN 73 10.481 8.201 -1.155 578 HB2 GLN 73 2HB GLN 73 11.664 8.123 -3.324 579 HB3 GLN 73 1HB GLN 73 12.045 6.755 -2.291 580 HG2 GLN 73 2HG GLN 73 11.798 5.691 -4.273 581 HG3 GLN 73 1HG GLN 73 10.142 5.597 -3.682 582 HE21 GLN 73 1HE2 GLN 73 9.235 5.444 -5.714 583 HE22 GLN 73 2HE2 GLN 73 9.210 6.770 -6.829 584 H LEU 74 H LEU 74 7.952 6.814 -3.162 585 HA LEU 74 HA LEU 74 7.453 9.399 -4.386 586 HB2 LEU 74 2HB LEU 74 5.683 8.324 -5.642 587 HB3 LEU 74 1HB LEU 74 7.173 7.416 -5.768 588 HG LEU 74 HG LEU 74 6.000 6.063 -3.752 589 HD11 LEU 74 1HD1 LEU 74 3.979 7.414 -3.771 590 HD12 LEU 74 2HD1 LEU 74 3.630 5.766 -4.288 591 HD13 LEU 74 3HD1 LEU 74 3.741 7.058 -5.482 592 HD21 LEU 74 3HD2 LEU 74 5.508 5.661 -6.699 593 HD22 LEU 74 1HD2 LEU 74 5.323 4.434 -5.445 594 HD23 LEU 74 2HD2 LEU 74 6.916 5.106 -5.793 595 H THR 75 H THR 75 6.405 7.599 -1.671 596 HA THR 75 HA THR 75 3.929 9.041 -1.314 597 HB THR 75 HB THR 75 5.404 7.288 0.674 598 HG1 THR 75 HG1 THR 75 4.848 6.101 -1.203 599 HG21 THR 75 3HG2 THR 75 2.514 8.170 0.550 600 HG22 THR 75 1HG2 THR 75 3.719 8.719 1.716 601 HG23 THR 75 2HG2 THR 75 3.191 7.037 1.719 602 H GLU 76 H GLU 76 7.245 9.457 -0.549 603 HA GLU 76 HA GLU 76 7.188 11.028 1.743 604 HB2 GLU 76 2HB GLU 76 9.038 11.111 -0.641 605 HB3 GLU 76 1HB GLU 76 9.320 12.027 0.834 606 HG2 GLU 76 2HG GLU 76 9.116 9.027 0.645 607 HG3 GLU 76 1HG GLU 76 10.612 9.953 0.775 608 H LEU 77 H LEU 77 6.327 11.789 -1.515 609 HA LEU 77 HA LEU 77 6.500 14.565 -1.533 610 HB2 LEU 77 2HB LEU 77 4.816 12.561 -2.960 611 HB3 LEU 77 1HB LEU 77 4.374 14.252 -3.086 612 HG LEU 77 HG LEU 77 6.686 14.723 -3.938 613 HD11 LEU 77 1HD1 LEU 77 7.878 12.831 -3.060 614 HD12 LEU 77 2HD1 LEU 77 7.957 12.791 -4.822 615 HD13 LEU 77 3HD1 LEU 77 6.854 11.716 -3.963 616 HD21 LEU 77 3HD2 LEU 77 5.026 12.759 -5.512 617 HD22 LEU 77 1HD2 LEU 77 6.261 13.828 -6.174 618 HD23 LEU 77 2HD2 LEU 77 4.801 14.509 -5.456 619 H ILE 78 H ILE 78 3.953 12.439 -0.342 620 HA ILE 78 HA ILE 78 2.326 14.706 0.498 621 HB ILE 78 HB ILE 78 1.802 11.761 0.956 622 HG12 ILE 78 2HG1 ILE 78 0.055 12.454 -0.993 623 HG13 ILE 78 1HG1 ILE 78 1.421 13.473 -1.432 624 HG21 ILE 78 1HG2 ILE 78 -0.535 12.481 1.222 625 HG22 ILE 78 2HG2 ILE 78 -0.024 14.161 1.047 626 HG23 ILE 78 3HG2 ILE 78 0.531 13.210 2.425 627 HD11 ILE 78 3HD1 ILE 78 1.432 11.326 -2.609 628 HD12 ILE 78 1HD1 ILE 78 1.533 10.486 -1.061 629 HD13 ILE 78 2HD1 ILE 78 2.855 11.529 -1.588 630 H ALA 79 H ALA 79 4.419 12.245 1.809 631 HA ALA 79 HA ALA 79 3.762 12.428 4.520 632 HB1 ALA 79 1HB ALA 79 5.180 10.671 3.438 633 HB2 ALA 79 2HB ALA 79 5.798 11.297 4.966 634 HB3 ALA 79 3HB ALA 79 6.505 11.837 3.444 635 H SER 80 H SER 80 5.599 14.574 2.516 636 HA SER 80 HA SER 80 7.187 15.852 4.430 637 HB2 SER 80 2HB SER 80 5.930 17.100 1.975 638 HB3 SER 80 1HB SER 80 7.358 17.682 2.834 639 HG SER 80 HG SER 80 7.306 15.048 1.814 640 H LYS 81 H LYS 81 3.801 16.129 3.731 641 HA LYS 81 HA LYS 81 3.399 17.778 6.077 642 HB2 LYS 81 2HB LYS 81 1.846 19.301 4.658 643 HB3 LYS 81 1HB LYS 81 3.579 19.612 4.646 644 HG2 LYS 81 2HG LYS 81 3.759 18.365 2.520 645 HG3 LYS 81 1HG LYS 81 2.007 18.142 2.527 646 HD2 LYS 81 2HD LYS 81 1.662 20.527 2.380 647 HD3 LYS 81 1HD LYS 81 3.397 20.823 2.539 648 HE2 LYS 81 2HE LYS 81 3.803 19.674 0.438 649 HE3 LYS 81 1HE LYS 81 2.085 19.314 0.283 650 HZ1 LYS 81 3HZ LYS 81 2.823 21.241 -1.041 651 HZ2 LYS 81 1HZ LYS 81 3.210 22.057 0.388 652 HZ3 LYS 81 2HZ LYS 81 1.607 21.627 0.066 653 H LYS 82 H LYS 82 2.768 15.343 6.114 654 HA LYS 82 HA LYS 82 0.233 14.698 4.950 655 HB2 LYS 82 2HB LYS 82 0.435 12.600 6.353 656 HB3 LYS 82 1HB LYS 82 1.698 12.865 5.165 657 HG2 LYS 82 2HG LYS 82 3.269 13.467 6.835 658 HG3 LYS 82 1HG LYS 82 2.010 13.593 8.066 659 HD2 LYS 82 2HD LYS 82 1.607 11.176 7.853 660 HD3 LYS 82 1HD LYS 82 2.908 11.078 6.659 661 HE2 LYS 82 2HE LYS 82 3.819 10.412 8.778 662 HE3 LYS 82 1HE LYS 82 4.460 12.014 8.402 663 HZ1 LYS 82 3HZ LYS 82 2.843 12.991 9.878 664 HZ2 LYS 82 1HZ LYS 82 3.729 11.816 10.710 665 HZ3 LYS 82 2HZ LYS 82 2.155 11.477 10.200 666 H ASP 83 H ASP 83 -0.965 16.478 5.822 667 HA ASP 83 HA ASP 83 -1.588 16.506 8.644 668 HB2 ASP 83 2HB ASP 83 -1.651 18.634 7.579 669 HB3 ASP 83 1HB ASP 83 -2.622 18.023 6.245 670 H LEU 84 H LEU 84 -2.641 14.891 5.870 671 HA LEU 84 HA LEU 84 -5.338 14.365 6.675 672 HB2 LEU 84 2HB LEU 84 -3.706 12.850 4.643 673 HB3 LEU 84 1HB LEU 84 -5.450 12.906 4.769 674 HG LEU 84 HG LEU 84 -5.144 14.311 2.994 675 HD11 LEU 84 1HD1 LEU 84 -6.205 15.560 4.907 676 HD12 LEU 84 2HD1 LEU 84 -5.511 16.553 3.628 677 HD13 LEU 84 3HD1 LEU 84 -4.646 16.345 5.151 678 HD21 LEU 84 3HD2 LEU 84 -2.697 14.117 2.980 679 HD22 LEU 84 1HD2 LEU 84 -2.598 15.357 4.228 680 HD23 LEU 84 2HD2 LEU 84 -3.231 15.763 2.635 681 H PHE 85 H PHE 85 -6.079 12.020 6.867 682 HA PHE 85 HA PHE 85 -4.496 10.783 8.953 683 HB2 PHE 85 2HB PHE 85 -7.183 10.014 7.792 684 HB3 PHE 85 1HB PHE 85 -6.434 9.260 9.193 685 HD1 PHE 85 HD1 PHE 85 -5.798 10.906 11.134 686 HD2 PHE 85 HD2 PHE 85 -8.673 11.736 8.105 687 HE1 PHE 85 HE1 PHE 85 -6.843 12.589 12.590 688 HE2 PHE 85 HE2 PHE 85 -9.718 13.421 9.559 689 HZ PHE 85 HZ PHE 85 -8.805 13.848 11.802 690 H VAL 86 H VAL 86 -2.742 10.328 7.441 691 HA VAL 86 HA VAL 86 -3.207 8.124 5.589 692 HB VAL 86 HB VAL 86 -1.827 10.031 4.835 693 HG11 VAL 86 1HG1 VAL 86 0.511 10.188 5.744 694 HG12 VAL 86 2HG1 VAL 86 -0.026 9.177 7.084 695 HG13 VAL 86 3HG1 VAL 86 -0.768 10.755 6.820 696 HG21 VAL 86 3HG2 VAL 86 -1.445 7.952 3.726 697 HG22 VAL 86 1HG2 VAL 86 -0.428 7.368 5.042 698 HG23 VAL 86 2HG2 VAL 86 0.129 8.692 4.020 699 H HIS 87 H HIS 87 -2.334 6.110 5.815 700 HA HIS 87 HA HIS 87 -0.531 5.489 7.986 701 HB2 HIS 87 2HB HIS 87 -3.417 4.980 8.171 702 HB3 HIS 87 1HB HIS 87 -2.433 3.553 8.456 703 HD1 HIS 87 HD1 HIS 87 -0.674 3.747 10.476 704 HD2 HIS 87 HD2 HIS 87 -3.560 6.733 10.267 705 HE1 HIS 87 HE1 HIS 87 -0.654 4.863 12.725 706 H SER 88 H SER 88 0.798 4.840 6.274 707 HA SER 88 HA SER 88 -0.115 2.600 4.629 708 HB2 SER 88 2HB SER 88 2.535 4.023 4.384 709 HB3 SER 88 1HB SER 88 1.657 3.125 3.148 710 HG SER 88 HG SER 88 1.110 5.128 2.631 711 H ILE 89 H ILE 89 0.312 0.598 5.327 712 HA ILE 89 HA ILE 89 2.906 0.044 6.540 713 HB ILE 89 HB ILE 89 1.189 0.452 8.377 714 HG12 ILE 89 2HG1 ILE 89 2.483 -2.281 8.264 715 HG13 ILE 89 1HG1 ILE 89 3.298 -0.792 8.726 716 HG21 ILE 89 1HG2 ILE 89 0.074 -2.108 7.255 717 HG22 ILE 89 2HG2 ILE 89 -0.755 -0.565 7.454 718 HG23 ILE 89 3HG2 ILE 89 -0.291 -1.506 8.871 719 HD11 ILE 89 3HD1 ILE 89 2.702 -2.100 10.675 720 HD12 ILE 89 1HD1 ILE 89 1.008 -2.086 10.189 721 HD13 ILE 89 2HD1 ILE 89 1.805 -0.581 10.651 722 H ASP 90 H ASP 90 3.618 -2.061 6.216 723 HA ASP 90 HA ASP 90 1.939 -3.687 4.434 724 HB2 ASP 90 2HB ASP 90 3.919 -4.379 3.227 725 HB3 ASP 90 1HB ASP 90 3.915 -2.629 3.325 726 H SER 91 H SER 91 4.193 -5.810 4.701 727 HA SER 91 HA SER 91 3.668 -6.643 7.449 728 HB2 SER 91 2HB SER 91 3.420 -8.956 5.795 729 HB3 SER 91 1HB SER 91 2.207 -8.245 6.860 730 HG SER 91 HG SER 91 2.159 -6.691 4.833 731 H GLU 92 H GLU 92 5.937 -6.103 7.654 732 HA GLU 92 HA GLU 92 7.820 -7.705 6.148 733 HB2 GLU 92 2HB GLU 92 9.561 -6.506 7.386 734 HB3 GLU 92 1HB GLU 92 8.412 -5.393 6.669 735 HG2 GLU 92 2HG GLU 92 8.243 -6.234 9.546 736 HG3 GLU 92 1HG GLU 92 9.251 -4.892 9.013 737 H VAL 93 H VAL 93 7.679 -9.797 6.657 738 HA VAL 93 HA VAL 93 7.245 -10.835 9.240 739 HB VAL 93 HB VAL 93 6.696 -12.247 7.419 740 HG11 VAL 93 1HG1 VAL 93 9.549 -11.968 6.499 741 HG12 VAL 93 2HG1 VAL 93 8.114 -11.332 5.700 742 HG13 VAL 93 3HG1 VAL 93 8.372 -13.075 5.797 743 HG21 VAL 93 3HG2 VAL 93 9.223 -13.401 8.584 744 HG22 VAL 93 1HG2 VAL 93 7.864 -14.294 7.900 745 HG23 VAL 93 2HG2 VAL 93 7.659 -13.385 9.398 746 H ILE 94 H ILE 94 10.168 -10.037 7.469 747 HA ILE 94 HA ILE 94 11.671 -10.332 9.947 748 HB ILE 94 HB ILE 94 12.140 -12.435 8.883 749 HG12 ILE 94 2HG1 ILE 94 14.407 -10.463 8.502 750 HG13 ILE 94 1HG1 ILE 94 14.040 -11.367 9.967 751 HG21 ILE 94 1HG2 ILE 94 13.095 -12.593 6.629 752 HG22 ILE 94 2HG2 ILE 94 12.878 -10.855 6.422 753 HG23 ILE 94 3HG2 ILE 94 11.474 -11.903 6.616 754 HD11 ILE 94 3HD1 ILE 94 15.935 -12.314 8.799 755 HD12 ILE 94 1HD1 ILE 94 14.956 -12.529 7.348 756 HD13 ILE 94 2HD1 ILE 94 14.584 -13.447 8.806 757 H THR 95 H THR 95 12.733 -8.518 10.314 758 HA THR 95 HA THR 95 13.190 -6.678 8.096 759 HB THR 95 HB THR 95 13.929 -5.877 10.862 760 HG1 THR 95 HG1 THR 95 11.922 -6.978 11.181 761 HG21 THR 95 3HG2 THR 95 12.358 -4.510 8.678 762 HG22 THR 95 1HG2 THR 95 14.099 -4.367 8.914 763 HG23 THR 95 2HG2 THR 95 12.988 -3.761 10.142 764 H LYS 96 H LYS 96 14.887 -7.886 7.170 765 HA LYS 96 HA LYS 96 17.352 -8.206 8.681 766 HB2 LYS 96 2HB LYS 96 18.170 -9.210 6.504 767 HB3 LYS 96 1HB LYS 96 16.846 -10.060 7.288 768 HG2 LYS 96 2HG LYS 96 15.264 -9.008 5.752 769 HG3 LYS 96 1HG LYS 96 16.595 -8.163 4.963 770 HD2 LYS 96 2HD LYS 96 17.567 -10.245 4.246 771 HD3 LYS 96 1HD LYS 96 16.371 -11.162 5.167 772 HE2 LYS 96 2HE LYS 96 14.589 -10.256 3.758 773 HE3 LYS 96 1HE LYS 96 15.781 -9.336 2.839 774 HZ1 LYS 96 3HZ LYS 96 15.737 -12.299 3.043 775 HZ2 LYS 96 1HZ LYS 96 16.768 -11.368 2.074 776 HZ3 LYS 96 2HZ LYS 96 15.109 -11.415 1.743 777 H LYS 97 H LYS 97 19.388 -7.429 7.789 778 HA LYS 97 HA LYS 97 19.166 -4.667 7.024 779 HB2 LYS 97 2HB LYS 97 20.836 -5.499 8.677 780 HB3 LYS 97 1HB LYS 97 21.629 -6.390 7.386 781 HG2 LYS 97 2HG LYS 97 22.940 -4.569 7.215 782 HG3 LYS 97 1HG LYS 97 21.576 -3.866 6.344 783 HD2 LYS 97 2HD LYS 97 21.829 -3.650 9.335 784 HD3 LYS 97 1HD LYS 97 22.615 -2.504 8.251 785 HE2 LYS 97 2HE LYS 97 20.373 -2.062 7.226 786 HE3 LYS 97 1HE LYS 97 19.662 -3.065 8.488 787 HZ1 LYS 97 3HZ LYS 97 19.541 -0.741 9.079 788 HZ2 LYS 97 1HZ LYS 97 21.217 -0.575 8.923 789 HZ3 LYS 97 2HZ LYS 97 20.577 -1.551 10.143 790 H GLU 98 H GLU 98 19.699 -3.762 5.074 791 HA GLU 98 HA GLU 98 19.738 -5.549 2.796 792 HB2 GLU 98 2HB GLU 98 20.040 -3.059 1.717 793 HB3 GLU 98 1HB GLU 98 18.489 -3.804 2.071 794 HG2 GLU 98 2HG GLU 98 18.466 -1.565 2.900 795 HG3 GLU 98 1HG GLU 98 18.502 -2.662 4.278 796 H ALA 99 H ALA 99 21.942 -6.059 4.180 797 HA ALA 99 HA ALA 99 24.187 -4.484 3.279 798 HB1 ALA 99 1HB ALA 99 24.095 -5.578 5.519 799 HB2 ALA 99 2HB ALA 99 25.543 -5.953 4.586 800 HB3 ALA 99 3HB ALA 99 24.241 -7.136 4.706 801 H GLN 100 H GLN 100 23.173 -5.056 1.003 802 HA GLN 100 HA GLN 100 24.629 -7.401 -0.023 803 HB2 GLN 100 2HB GLN 100 22.212 -7.620 -0.354 804 HB3 GLN 100 1HB GLN 100 22.167 -6.056 -1.159 805 HG2 GLN 100 2HG GLN 100 23.468 -6.898 -2.998 806 HG3 GLN 100 1HG GLN 100 23.739 -8.426 -2.164 807 HE21 GLN 100 1HE2 GLN 100 22.015 -9.890 -1.959 808 HE22 GLN 100 2HE2 GLN 100 20.631 -9.808 -2.996 809 H GLN 101 H GLN 101 26.286 -6.992 -1.331 810 HA GLN 101 HA GLN 101 26.909 -4.280 -2.015 811 HB2 GLN 101 2HB GLN 101 28.660 -5.914 -1.404 812 HB3 GLN 101 1HB GLN 101 28.301 -6.830 -2.863 813 HG2 GLN 101 2HG GLN 101 30.285 -5.413 -3.149 814 HG3 GLN 101 1HG GLN 101 28.985 -4.945 -4.248 815 HE21 GLN 101 1HE2 GLN 101 29.537 -2.857 -4.541 816 HE22 GLN 101 2HE2 GLN 101 29.545 -1.671 -3.283 817 H ILE 102 H ILE 102 25.075 -3.788 -3.268 818 HA ILE 102 HA ILE 102 25.319 -4.689 -6.053 819 HB ILE 102 HB ILE 102 23.315 -5.724 -5.175 820 HG12 ILE 102 2HG1 ILE 102 21.558 -4.595 -6.600 821 HG13 ILE 102 1HG1 ILE 102 22.735 -3.326 -6.925 822 HG21 ILE 102 1HG2 ILE 102 22.466 -2.969 -4.304 823 HG22 ILE 102 2HG2 ILE 102 22.930 -4.303 -3.248 824 HG23 ILE 102 3HG2 ILE 102 21.468 -4.422 -4.227 825 HD11 ILE 102 3HD1 ILE 102 23.062 -6.240 -7.600 826 HD12 ILE 102 1HD1 ILE 102 24.215 -4.954 -7.957 827 HD13 ILE 102 2HD1 ILE 102 22.631 -4.955 -8.729 828 H ARG 103 H ARG 103 25.302 -3.087 -7.556 829 HA ARG 103 HA ARG 103 24.372 -0.447 -6.922 830 HB2 ARG 103 2HB ARG 103 26.807 -0.787 -6.007 831 HB3 ARG 103 1HB ARG 103 27.263 -0.609 -7.699 832 HG2 ARG 103 2HG ARG 103 27.459 1.533 -6.626 833 HG3 ARG 103 1HG ARG 103 26.079 1.589 -7.727 834 HD2 ARG 103 2HD ARG 103 25.736 2.631 -5.448 835 HD3 ARG 103 1HD ARG 103 24.527 1.463 -5.951 836 HE ARG 103 HE ARG 103 25.364 -0.063 -4.369 837 HH11 ARG 103 1HH1 ARG 103 27.028 3.023 -4.277 838 HH12 ARG 103 2HH1 ARG 103 27.673 2.772 -2.686 839 HH21 ARG 103 1HH2 ARG 103 26.205 -0.382 -2.264 840 HH22 ARG 103 2HH2 ARG 103 27.214 0.833 -1.545 841 H GLU 104 H GLU 104 23.178 -0.180 -8.695 842 HA GLU 104 HA GLU 104 24.137 -1.136 -11.275 843 HB2 GLU 104 2HB GLU 104 21.884 -0.381 -12.080 844 HB3 GLU 104 1HB GLU 104 21.838 -1.606 -10.821 845 HG2 GLU 104 2HG GLU 104 21.635 1.282 -10.098 846 HG3 GLU 104 1HG GLU 104 20.226 0.423 -10.717 847 H GLU 105 H GLU 105 25.319 1.181 -9.829 848 HA GLU 105 HA GLU 105 24.671 3.488 -11.440 849 HB2 GLU 105 2HB GLU 105 26.863 3.073 -9.397 850 HB3 GLU 105 1HB GLU 105 26.432 4.610 -10.133 851 HG2 GLU 105 2HG GLU 105 24.438 2.999 -8.589 852 HG3 GLU 105 1HG GLU 105 25.552 4.104 -7.791 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -33.168 -17.819 -0.631 2 HA2 GLY 1 1HA GLY 1 -35.199 -17.331 -1.932 3 HA3 GLY 1 2HA GLY 1 -34.592 -15.697 -2.133 4 H SER 2 H SER 2 -32.686 -15.364 -3.383 5 HA SER 2 HA SER 2 -32.257 -17.500 -5.341 6 HB2 SER 2 2HB SER 2 -31.622 -14.540 -5.515 7 HB3 SER 2 1HB SER 2 -31.373 -15.717 -6.805 8 HG SER 2 HG SER 2 -33.774 -16.138 -6.357 9 H HIS 3 H HIS 3 -29.957 -17.473 -6.306 10 HA HIS 3 HA HIS 3 -28.142 -18.023 -4.152 11 HB2 HIS 3 2HB HIS 3 -28.035 -18.279 -7.131 12 HB3 HIS 3 1HB HIS 3 -26.526 -18.311 -6.222 13 HD1 HIS 3 HD1 HIS 3 -26.459 -20.234 -4.272 14 HD2 HIS 3 HD2 HIS 3 -29.298 -20.675 -7.274 15 HE1 HIS 3 HE1 HIS 3 -27.152 -22.648 -4.200 16 H MET 4 H MET 4 -26.408 -16.902 -3.464 17 HA MET 4 HA MET 4 -25.686 -14.412 -4.837 18 HB2 MET 4 2HB MET 4 -25.662 -13.153 -2.766 19 HB3 MET 4 1HB MET 4 -27.261 -13.847 -2.996 20 HG2 MET 4 2HG MET 4 -25.224 -15.249 -1.314 21 HG3 MET 4 1HG MET 4 -26.172 -13.918 -0.660 22 HE1 MET 4 3HE MET 4 -27.872 -17.059 0.946 23 HE2 MET 4 1HE MET 4 -26.992 -15.557 1.237 24 HE3 MET 4 2HE MET 4 -26.160 -16.947 0.543 25 H LYS 5 H LYS 5 -23.711 -13.463 -3.380 26 HA LYS 5 HA LYS 5 -21.613 -15.346 -3.777 27 HB2 LYS 5 2HB LYS 5 -21.735 -12.550 -2.694 28 HB3 LYS 5 1HB LYS 5 -20.253 -13.485 -2.586 29 HG2 LYS 5 2HG LYS 5 -20.141 -13.693 -4.972 30 HG3 LYS 5 1HG LYS 5 -21.711 -12.913 -5.157 31 HD2 LYS 5 2HD LYS 5 -20.850 -10.832 -4.352 32 HD3 LYS 5 1HD LYS 5 -19.326 -11.582 -3.881 33 HE2 LYS 5 2HE LYS 5 -20.335 -11.447 -6.715 34 HE3 LYS 5 1HE LYS 5 -19.228 -10.277 -5.999 35 HZ1 LYS 5 3HZ LYS 5 -17.661 -12.090 -5.590 36 HZ2 LYS 5 1HZ LYS 5 -18.017 -11.944 -7.234 37 HZ3 LYS 5 2HZ LYS 5 -18.718 -13.183 -6.327 38 H THR 6 H THR 6 -20.101 -16.084 -2.210 39 HA THR 6 HA THR 6 -21.191 -16.312 0.511 40 HB THR 6 HB THR 6 -19.524 -18.542 -0.524 41 HG1 THR 6 HG1 THR 6 -21.360 -17.803 -2.089 42 HG21 THR 6 3HG2 THR 6 -21.131 -19.871 0.796 43 HG22 THR 6 1HG2 THR 6 -22.033 -18.399 1.155 44 HG23 THR 6 2HG2 THR 6 -20.385 -18.592 1.754 45 H LYS 7 H LYS 7 -19.460 -16.970 2.097 46 HA LYS 7 HA LYS 7 -17.424 -15.097 2.205 47 HB2 LYS 7 2HB LYS 7 -16.516 -16.414 4.060 48 HB3 LYS 7 1HB LYS 7 -18.259 -16.247 4.174 49 HG2 LYS 7 2HG LYS 7 -18.602 -18.501 3.427 50 HG3 LYS 7 1HG LYS 7 -16.887 -18.683 3.052 51 HD2 LYS 7 2HD LYS 7 -17.786 -18.010 5.825 52 HD3 LYS 7 1HD LYS 7 -17.810 -19.677 5.250 53 HE2 LYS 7 2HE LYS 7 -15.432 -19.557 4.755 54 HE3 LYS 7 1HE LYS 7 -15.391 -17.874 5.271 55 HZ1 LYS 7 3HZ LYS 7 -16.048 -20.199 6.985 56 HZ2 LYS 7 1HZ LYS 7 -16.033 -18.586 7.489 57 HZ3 LYS 7 2HZ LYS 7 -14.596 -19.334 7.003 58 H LYS 8 H LYS 8 -15.176 -15.230 2.068 59 HA LYS 8 HA LYS 8 -14.061 -17.478 0.560 60 HB2 LYS 8 2HB LYS 8 -12.797 -15.810 -0.859 61 HB3 LYS 8 1HB LYS 8 -14.522 -15.924 -1.185 62 HG2 LYS 8 2HG LYS 8 -14.185 -13.921 0.781 63 HG3 LYS 8 1HG LYS 8 -12.983 -13.621 -0.476 64 HD2 LYS 8 2HD LYS 8 -14.723 -13.656 -2.172 65 HD3 LYS 8 1HD LYS 8 -15.936 -14.036 -0.951 66 HE2 LYS 8 2HE LYS 8 -14.244 -11.547 -0.863 67 HE3 LYS 8 1HE LYS 8 -15.801 -11.611 -1.683 68 HZ1 LYS 8 3HZ LYS 8 -15.450 -12.321 1.169 69 HZ2 LYS 8 1HZ LYS 8 -16.899 -12.059 0.342 70 HZ3 LYS 8 2HZ LYS 8 -15.851 -10.769 0.646 71 H GLN 9 H GLN 9 -11.594 -17.277 0.494 72 HA GLN 9 HA GLN 9 -10.652 -16.938 3.164 73 HB2 GLN 9 2HB GLN 9 -9.508 -17.854 0.589 74 HB3 GLN 9 1HB GLN 9 -8.365 -17.236 1.773 75 HG2 GLN 9 2HG GLN 9 -8.639 -19.672 1.878 76 HG3 GLN 9 1HG GLN 9 -9.073 -18.867 3.384 77 HE21 GLN 9 1HE2 GLN 9 -11.164 -18.958 4.104 78 HE22 GLN 9 2HE2 GLN 9 -12.369 -19.962 3.379 79 H GLN 10 H GLN 10 -9.216 -15.519 0.231 80 HA GLN 10 HA GLN 10 -8.741 -13.075 1.796 81 HB2 GLN 10 2HB GLN 10 -6.841 -12.619 0.404 82 HB3 GLN 10 1HB GLN 10 -6.713 -14.282 0.953 83 HG2 GLN 10 2HG GLN 10 -8.022 -13.778 -1.660 84 HG3 GLN 10 1HG GLN 10 -6.269 -13.595 -1.556 85 HE21 GLN 10 1HE2 GLN 10 -4.992 -15.390 -1.236 86 HE22 GLN 10 2HE2 GLN 10 -5.615 -17.008 -1.321 87 H TYR 11 H TYR 11 -8.737 -11.057 0.537 88 HA TYR 11 HA TYR 11 -10.144 -10.922 -1.943 89 HB2 TYR 11 2HB TYR 11 -12.008 -9.469 -0.920 90 HB3 TYR 11 1HB TYR 11 -12.145 -11.213 -0.739 91 HD1 TYR 11 HD1 TYR 11 -11.446 -8.052 1.015 92 HD2 TYR 11 HD2 TYR 11 -12.007 -12.255 1.429 93 HE1 TYR 11 HE1 TYR 11 -11.657 -7.783 3.449 94 HE2 TYR 11 HE2 TYR 11 -12.221 -11.993 3.865 95 HH TYR 11 HH TYR 11 -12.886 -9.253 5.366 96 H VAL 12 H VAL 12 -10.454 -8.619 -2.602 97 HA VAL 12 HA VAL 12 -8.521 -6.872 -1.238 98 HB VAL 12 HB VAL 12 -7.538 -7.726 -3.313 99 HG11 VAL 12 1HG1 VAL 12 -9.544 -8.167 -4.596 100 HG12 VAL 12 2HG1 VAL 12 -8.467 -7.103 -5.500 101 HG13 VAL 12 3HG1 VAL 12 -9.887 -6.440 -4.694 102 HG21 VAL 12 3HG2 VAL 12 -6.937 -5.583 -4.325 103 HG22 VAL 12 1HG2 VAL 12 -6.950 -5.484 -2.564 104 HG23 VAL 12 2HG2 VAL 12 -8.289 -4.812 -3.494 105 H THR 13 H THR 13 -9.142 -4.801 -0.899 106 HA THR 13 HA THR 13 -11.633 -3.895 -2.149 107 HB THR 13 HB THR 13 -12.175 -4.684 0.128 108 HG1 THR 13 HG1 THR 13 -13.376 -2.956 -0.691 109 HG21 THR 13 3HG2 THR 13 -10.249 -2.548 1.041 110 HG22 THR 13 1HG2 THR 13 -10.050 -4.290 1.239 111 HG23 THR 13 2HG2 THR 13 -11.347 -3.449 2.087 112 H ILE 14 H ILE 14 -11.599 -1.822 -2.836 113 HA ILE 14 HA ILE 14 -9.389 -0.092 -1.977 114 HB ILE 14 HB ILE 14 -10.265 -0.297 -4.864 115 HG12 ILE 14 2HG1 ILE 14 -7.752 -1.428 -3.603 116 HG13 ILE 14 1HG1 ILE 14 -9.146 -2.386 -4.089 117 HG21 ILE 14 1HG2 ILE 14 -8.269 1.032 -5.299 118 HG22 ILE 14 2HG2 ILE 14 -7.886 1.044 -3.579 119 HG23 ILE 14 3HG2 ILE 14 -9.334 1.864 -4.166 120 HD11 ILE 14 3HD1 ILE 14 -7.341 -0.793 -5.885 121 HD12 ILE 14 1HD1 ILE 14 -8.797 -1.634 -6.416 122 HD13 ILE 14 2HD1 ILE 14 -7.439 -2.549 -5.760 123 H LYS 15 H LYS 15 -10.693 1.168 -0.751 124 HA LYS 15 HA LYS 15 -13.141 2.265 -1.874 125 HB2 LYS 15 2HB LYS 15 -13.496 1.737 0.344 126 HB3 LYS 15 1HB LYS 15 -11.870 2.184 0.826 127 HG2 LYS 15 2HG LYS 15 -13.168 3.838 1.805 128 HG3 LYS 15 1HG LYS 15 -12.630 4.610 0.314 129 HD2 LYS 15 2HD LYS 15 -14.722 4.387 -0.695 130 HD3 LYS 15 1HD LYS 15 -15.235 3.126 0.433 131 HE2 LYS 15 2HE LYS 15 -14.779 6.036 1.127 132 HE3 LYS 15 1HE LYS 15 -16.354 5.260 0.925 133 HZ1 LYS 15 3HZ LYS 15 -15.775 3.783 2.782 134 HZ2 LYS 15 1HZ LYS 15 -15.796 5.410 3.244 135 HZ3 LYS 15 2HZ LYS 15 -14.323 4.622 3.002 136 H GLY 16 H GLY 16 -12.949 3.887 -3.215 137 HA2 GLY 16 2HA GLY 16 -11.286 6.179 -2.433 138 HA3 GLY 16 1HA GLY 16 -11.126 5.515 -4.054 139 H THR 17 H THR 17 -14.152 5.619 -2.347 140 HA THR 17 HA THR 17 -15.168 7.509 -4.347 141 HB THR 17 HB THR 17 -17.385 6.490 -3.122 142 HG1 THR 17 HG1 THR 17 -16.793 4.125 -3.135 143 HG21 THR 17 3HG2 THR 17 -17.196 6.582 -5.495 144 HG22 THR 17 1HG2 THR 17 -17.445 4.887 -5.079 145 HG23 THR 17 2HG2 THR 17 -15.833 5.463 -5.495 146 H LYS 18 H LYS 18 -15.367 9.535 -3.662 147 HA LYS 18 HA LYS 18 -15.693 11.367 -2.351 148 HB2 LYS 18 2HB LYS 18 -17.702 9.428 -1.251 149 HB3 LYS 18 1HB LYS 18 -17.495 11.002 -0.498 150 HG2 LYS 18 2HG LYS 18 -17.900 12.013 -2.772 151 HG3 LYS 18 1HG LYS 18 -18.390 10.402 -3.302 152 HD2 LYS 18 2HD LYS 18 -20.129 10.358 -1.597 153 HD3 LYS 18 1HD LYS 18 -19.621 11.944 -1.016 154 HE2 LYS 18 2HE LYS 18 -21.556 12.208 -2.422 155 HE3 LYS 18 1HE LYS 18 -20.155 12.881 -3.249 156 HZ1 LYS 18 3HZ LYS 18 -21.406 11.614 -4.802 157 HZ2 LYS 18 1HZ LYS 18 -21.454 10.268 -3.780 158 HZ3 LYS 18 2HZ LYS 18 -19.992 10.748 -4.473 159 H ASN 19 H ASN 19 -13.433 9.982 -1.698 160 HA ASN 19 HA ASN 19 -13.035 10.740 1.044 161 HB2 ASN 19 2HB ASN 19 -14.007 8.272 0.884 162 HB3 ASN 19 1HB ASN 19 -12.341 7.881 0.473 163 HD21 ASN 19 1HD2 ASN 19 -14.541 8.642 2.949 164 HD22 ASN 19 2HD2 ASN 19 -13.419 8.631 4.264 165 H GLY 20 H GLY 20 -10.663 9.066 1.319 166 HA2 GLY 20 2HA GLY 20 -8.933 10.525 -0.547 167 HA3 GLY 20 1HA GLY 20 -8.434 9.813 0.980 168 H LEU 21 H LEU 21 -8.217 7.532 1.124 169 HA LEU 21 HA LEU 21 -8.408 5.852 -1.151 170 HB2 LEU 21 2HB LEU 21 -6.498 7.117 -1.913 171 HB3 LEU 21 1HB LEU 21 -5.682 6.881 -0.383 172 HG LEU 21 HG LEU 21 -5.678 4.405 -0.901 173 HD11 LEU 21 1HD1 LEU 21 -5.855 3.833 -3.307 174 HD12 LEU 21 2HD1 LEU 21 -6.498 5.447 -3.606 175 HD13 LEU 21 3HD1 LEU 21 -7.388 4.319 -2.585 176 HD21 LEU 21 3HD2 LEU 21 -3.921 4.938 -2.863 177 HD22 LEU 21 1HD2 LEU 21 -3.591 5.207 -1.150 178 HD23 LEU 21 2HD2 LEU 21 -4.111 6.547 -2.170 179 H THR 22 H THR 22 -9.381 4.413 0.264 180 HA THR 22 HA THR 22 -7.622 3.349 2.380 181 HB THR 22 HB THR 22 -10.580 2.888 2.402 182 HG1 THR 22 HG1 THR 22 -9.254 5.304 2.807 183 HG21 THR 22 3HG2 THR 22 -9.171 1.686 4.000 184 HG22 THR 22 1HG2 THR 22 -10.216 2.843 4.827 185 HG23 THR 22 2HG2 THR 22 -8.511 3.216 4.575 186 H LEU 23 H LEU 23 -6.609 1.688 1.389 187 HA LEU 23 HA LEU 23 -8.302 -0.333 0.093 188 HB2 LEU 23 2HB LEU 23 -6.565 -0.808 -1.489 189 HB3 LEU 23 1HB LEU 23 -6.889 0.914 -1.523 190 HG LEU 23 HG LEU 23 -4.684 0.048 0.257 191 HD11 LEU 23 1HD1 LEU 23 -3.128 -0.002 -1.702 192 HD12 LEU 23 2HD1 LEU 23 -4.545 -0.121 -2.744 193 HD13 LEU 23 3HD1 LEU 23 -4.202 -1.395 -1.574 194 HD21 LEU 23 3HD2 LEU 23 -3.646 2.050 -0.958 195 HD22 LEU 23 1HD2 LEU 23 -5.002 2.364 0.123 196 HD23 LEU 23 2HD2 LEU 23 -5.257 2.317 -1.619 197 H HIS 24 H HIS 24 -7.645 -2.503 0.298 198 HA HIS 24 HA HIS 24 -5.503 -3.143 2.141 199 HB2 HIS 24 2HB HIS 24 -7.238 -2.780 3.756 200 HB3 HIS 24 1HB HIS 24 -8.406 -3.672 2.790 201 HD1 HIS 24 HD1 HIS 24 -8.990 -5.495 4.419 202 HD2 HIS 24 HD2 HIS 24 -4.885 -5.128 3.861 203 HE1 HIS 24 HE1 HIS 24 -7.971 -7.474 5.575 204 H LEU 25 H LEU 25 -4.462 -4.794 1.268 205 HA LEU 25 HA LEU 25 -6.020 -6.834 -0.176 206 HB2 LEU 25 2HB LEU 25 -4.665 -5.612 -1.770 207 HB3 LEU 25 1HB LEU 25 -3.242 -5.791 -0.758 208 HG LEU 25 HG LEU 25 -3.249 -8.213 -1.158 209 HD11 LEU 25 1HD1 LEU 25 -4.721 -9.177 -2.858 210 HD12 LEU 25 2HD1 LEU 25 -5.567 -7.637 -2.993 211 HD13 LEU 25 3HD1 LEU 25 -5.637 -8.550 -1.486 212 HD21 LEU 25 3HD2 LEU 25 -2.603 -8.151 -3.518 213 HD22 LEU 25 1HD2 LEU 25 -1.941 -6.786 -2.621 214 HD23 LEU 25 2HD2 LEU 25 -3.336 -6.554 -3.672 215 H ASP 26 H ASP 26 -5.841 -8.829 0.662 216 HA ASP 26 HA ASP 26 -3.611 -9.333 2.510 217 HB2 ASP 26 2HB ASP 26 -6.304 -9.221 3.180 218 HB3 ASP 26 1HB ASP 26 -5.975 -10.945 3.040 219 H ASP 27 H ASP 27 -2.619 -10.146 0.495 220 HA ASP 27 HA ASP 27 -3.166 -12.998 0.240 221 HB2 ASP 27 2HB ASP 27 -4.361 -11.644 -1.622 222 HB3 ASP 27 1HB ASP 27 -2.744 -11.393 -2.271 223 H ALA 28 H ALA 28 -1.324 -14.187 -0.092 224 HA ALA 28 HA ALA 28 1.173 -12.635 -0.040 225 HB1 ALA 28 1HB ALA 28 0.769 -13.978 1.949 226 HB2 ALA 28 2HB ALA 28 2.184 -14.561 1.069 227 HB3 ALA 28 3HB ALA 28 0.655 -15.433 0.958 228 H CYS 29 H CYS 29 2.909 -13.202 -1.259 229 HA CYS 29 HA CYS 29 4.085 -13.889 -3.056 230 HB2 CYS 29 2HB CYS 29 2.411 -16.359 -2.628 231 HB3 CYS 29 1HB CYS 29 3.712 -16.268 -3.813 232 HG CYS 29 HG CYS 29 3.875 -16.474 -0.454 233 H SER 30 H SER 30 1.498 -12.468 -3.478 234 HA SER 30 HA SER 30 1.006 -13.350 -6.242 235 HB2 SER 30 2HB SER 30 -0.821 -11.860 -4.346 236 HB3 SER 30 1HB SER 30 -1.193 -12.197 -6.037 237 HG SER 30 HG SER 30 -1.939 -13.705 -4.236 238 H PHE 31 H PHE 31 0.312 -11.510 -7.694 239 HA PHE 31 HA PHE 31 2.353 -9.492 -7.615 240 HB2 PHE 31 2HB PHE 31 1.406 -8.766 -9.773 241 HB3 PHE 31 1HB PHE 31 1.690 -10.499 -9.753 242 HD1 PHE 31 HD1 PHE 31 -0.191 -12.067 -9.666 243 HD2 PHE 31 HD2 PHE 31 -0.812 -7.865 -9.941 244 HE1 PHE 31 HE1 PHE 31 -2.523 -12.455 -10.351 245 HE2 PHE 31 HE2 PHE 31 -3.142 -8.244 -10.623 246 HZ PHE 31 HZ PHE 31 -4.001 -10.539 -10.827 247 H ASP 32 H ASP 32 2.085 -7.284 -7.394 248 HA ASP 32 HA ASP 32 -0.549 -6.377 -6.442 249 HB2 ASP 32 2HB ASP 32 0.849 -4.753 -4.997 250 HB3 ASP 32 1HB ASP 32 0.713 -6.427 -4.470 251 H GLU 33 H GLU 33 1.108 -6.229 -9.039 252 HA GLU 33 HA GLU 33 1.894 -3.599 -9.529 253 HB2 GLU 33 2HB GLU 33 1.685 -4.139 -11.910 254 HB3 GLU 33 1HB GLU 33 2.452 -5.451 -11.033 255 HG2 GLU 33 2HG GLU 33 0.112 -6.492 -10.941 256 HG3 GLU 33 1HG GLU 33 -0.300 -5.329 -12.195 257 H LEU 34 H LEU 34 -1.287 -5.093 -9.756 258 HA LEU 34 HA LEU 34 -2.552 -2.809 -10.917 259 HB2 LEU 34 2HB LEU 34 -3.404 -5.439 -9.910 260 HB3 LEU 34 1HB LEU 34 -4.582 -4.164 -9.680 261 HG LEU 34 HG LEU 34 -5.052 -5.325 -11.738 262 HD11 LEU 34 1HD1 LEU 34 -5.322 -2.824 -11.601 263 HD12 LEU 34 2HD1 LEU 34 -5.199 -3.491 -13.227 264 HD13 LEU 34 3HD1 LEU 34 -3.807 -2.695 -12.497 265 HD21 LEU 34 3HD2 LEU 34 -2.276 -4.568 -12.631 266 HD22 LEU 34 1HD2 LEU 34 -3.487 -5.440 -13.572 267 HD23 LEU 34 2HD2 LEU 34 -2.780 -6.186 -12.139 268 H LEU 35 H LEU 35 -2.097 -4.041 -7.665 269 HA LEU 35 HA LEU 35 -3.815 -2.294 -6.305 270 HB2 LEU 35 2HB LEU 35 -2.604 -4.395 -5.460 271 HB3 LEU 35 1HB LEU 35 -1.236 -3.337 -5.172 272 HG LEU 35 HG LEU 35 -2.835 -1.928 -3.757 273 HD11 LEU 35 1HD1 LEU 35 -4.731 -3.153 -2.801 274 HD12 LEU 35 2HD1 LEU 35 -4.429 -4.479 -3.924 275 HD13 LEU 35 3HD1 LEU 35 -4.919 -2.900 -4.536 276 HD21 LEU 35 3HD2 LEU 35 -1.061 -3.259 -2.792 277 HD22 LEU 35 1HD2 LEU 35 -2.068 -4.704 -2.882 278 HD23 LEU 35 2HD2 LEU 35 -2.518 -3.384 -1.806 279 H ASP 36 H ASP 36 -0.323 -2.046 -6.996 280 HA ASP 36 HA ASP 36 0.055 0.457 -5.768 281 HB2 ASP 36 2HB ASP 36 1.980 -0.910 -6.338 282 HB3 ASP 36 1HB ASP 36 1.585 -0.806 -8.051 283 H GLY 37 H GLY 37 -0.637 -0.409 -9.130 284 HA2 GLY 37 2HA GLY 37 -0.615 2.157 -10.232 285 HA3 GLY 37 1HA GLY 37 -1.528 0.797 -10.865 286 H LEU 38 H LEU 38 -3.025 0.606 -8.275 287 HA LEU 38 HA LEU 38 -5.109 2.463 -9.000 288 HB2 LEU 38 2HB LEU 38 -4.912 0.024 -7.412 289 HB3 LEU 38 1HB LEU 38 -5.888 1.249 -6.627 290 HG LEU 38 HG LEU 38 -7.275 -0.253 -7.943 291 HD11 LEU 38 1HD1 LEU 38 -8.538 1.377 -9.145 292 HD12 LEU 38 2HD1 LEU 38 -7.136 2.433 -9.296 293 HD13 LEU 38 3HD1 LEU 38 -7.863 2.158 -7.714 294 HD21 LEU 38 3HD2 LEU 38 -5.652 0.688 -10.306 295 HD22 LEU 38 1HD2 LEU 38 -7.104 -0.307 -10.389 296 HD23 LEU 38 2HD2 LEU 38 -5.647 -0.934 -9.618 297 H GLN 39 H GLN 39 -3.155 1.850 -6.079 298 HA GLN 39 HA GLN 39 -4.204 4.073 -4.667 299 HB2 GLN 39 2HB GLN 39 -2.420 3.676 -3.046 300 HB3 GLN 39 1HB GLN 39 -3.222 2.178 -3.488 301 HG2 GLN 39 2HG GLN 39 -1.225 1.318 -3.859 302 HG3 GLN 39 1HG GLN 39 -1.075 2.397 -5.248 303 HE21 GLN 39 1HE2 GLN 39 1.169 2.566 -4.986 304 HE22 GLN 39 2HE2 GLN 39 1.857 3.493 -3.693 305 H ASN 40 H ASN 40 -1.449 3.668 -6.796 306 HA ASN 40 HA ASN 40 -0.233 6.183 -6.153 307 HB2 ASN 40 2HB ASN 40 0.548 3.917 -7.591 308 HB3 ASN 40 1HB ASN 40 0.443 5.186 -8.801 309 HD21 ASN 40 1HD2 ASN 40 2.479 3.718 -6.674 310 HD22 ASN 40 2HD2 ASN 40 3.622 5.004 -6.459 311 H MET 41 H MET 41 -3.020 5.447 -7.801 312 HA MET 41 HA MET 41 -2.798 7.867 -9.465 313 HB2 MET 41 2HB MET 41 -3.138 5.730 -10.695 314 HB3 MET 41 1HB MET 41 -4.671 5.533 -9.861 315 HG2 MET 41 2HG MET 41 -5.580 7.468 -10.920 316 HG3 MET 41 1HG MET 41 -4.009 7.894 -11.597 317 HE1 MET 41 3HE MET 41 -3.449 5.276 -14.369 318 HE2 MET 41 1HE MET 41 -2.823 5.220 -12.722 319 HE3 MET 41 2HE MET 41 -2.882 6.753 -13.593 320 H LEU 42 H LEU 42 -5.114 5.981 -7.510 321 HA LEU 42 HA LEU 42 -7.188 7.853 -7.525 322 HB2 LEU 42 2HB LEU 42 -6.436 5.693 -5.582 323 HB3 LEU 42 1HB LEU 42 -7.845 6.706 -5.332 324 HG LEU 42 HG LEU 42 -7.362 4.843 -7.660 325 HD11 LEU 42 1HD1 LEU 42 -7.963 3.693 -5.614 326 HD12 LEU 42 2HD1 LEU 42 -9.315 3.662 -6.746 327 HD13 LEU 42 3HD1 LEU 42 -9.335 4.777 -5.380 328 HD21 LEU 42 3HD2 LEU 42 -9.703 5.451 -8.280 329 HD22 LEU 42 1HD2 LEU 42 -8.542 6.765 -8.485 330 HD23 LEU 42 2HD2 LEU 42 -9.629 6.755 -7.096 331 H SER 43 H SER 43 -4.324 7.670 -5.498 332 HA SER 43 HA SER 43 -5.171 9.483 -3.504 333 HB2 SER 43 2HB SER 43 -3.187 7.880 -3.422 334 HB3 SER 43 1HB SER 43 -2.310 9.082 -4.369 335 HG SER 43 HG SER 43 -3.163 10.542 -2.551 336 H ILE 44 H ILE 44 -4.440 10.002 -6.754 337 HA ILE 44 HA ILE 44 -3.912 12.856 -6.248 338 HB ILE 44 HB ILE 44 -3.289 11.394 -8.816 339 HG12 ILE 44 2HG1 ILE 44 -1.350 12.036 -6.578 340 HG13 ILE 44 1HG1 ILE 44 -2.018 10.435 -6.885 341 HG21 ILE 44 1HG2 ILE 44 -2.438 14.063 -7.691 342 HG22 ILE 44 2HG2 ILE 44 -3.481 13.774 -9.084 343 HG23 ILE 44 3HG2 ILE 44 -1.773 13.341 -9.157 344 HD11 ILE 44 3HD1 ILE 44 0.212 10.635 -7.802 345 HD12 ILE 44 1HD1 ILE 44 -0.288 12.027 -8.762 346 HD13 ILE 44 2HD1 ILE 44 -0.973 10.436 -9.091 347 H GLU 45 H GLU 45 -5.839 10.494 -7.927 348 HA GLU 45 HA GLU 45 -7.246 12.232 -9.651 349 HB2 GLU 45 2HB GLU 45 -7.863 9.495 -8.558 350 HB3 GLU 45 1HB GLU 45 -8.950 10.333 -9.658 351 HG2 GLU 45 2HG GLU 45 -6.079 9.645 -10.238 352 HG3 GLU 45 1HG GLU 45 -7.486 8.746 -10.811 353 H GLN 46 H GLN 46 -8.334 10.710 -6.602 354 HA GLN 46 HA GLN 46 -9.867 13.124 -6.044 355 HB2 GLN 46 2HB GLN 46 -11.495 11.788 -7.213 356 HB3 GLN 46 1HB GLN 46 -11.107 10.377 -6.237 357 HG2 GLN 46 2HG GLN 46 -11.803 12.377 -4.402 358 HG3 GLN 46 1HG GLN 46 -12.989 12.494 -5.703 359 HE21 GLN 46 1HE2 GLN 46 -11.433 10.210 -3.513 360 HE22 GLN 46 2HE2 GLN 46 -12.766 9.111 -3.432 361 H TYR 47 H TYR 47 -8.734 13.615 -4.255 362 HA TYR 47 HA TYR 47 -8.985 11.749 -2.008 363 HB2 TYR 47 2HB TYR 47 -6.732 12.331 -1.234 364 HB3 TYR 47 1HB TYR 47 -6.667 11.624 -2.843 365 HD1 TYR 47 HD1 TYR 47 -6.804 13.500 -4.798 366 HD2 TYR 47 HD2 TYR 47 -5.386 14.151 -0.841 367 HE1 TYR 47 HE1 TYR 47 -5.498 15.428 -5.588 368 HE2 TYR 47 HE2 TYR 47 -4.080 16.076 -1.620 369 HH TYR 47 HH TYR 47 -3.048 16.821 -3.861 370 H THR 48 H THR 48 -10.411 14.145 -3.002 371 HA THR 48 HA THR 48 -9.885 16.076 -0.871 372 HB THR 48 HB THR 48 -11.874 17.082 -2.570 373 HG1 THR 48 HG1 THR 48 -10.509 16.822 -4.603 374 HG21 THR 48 3HG2 THR 48 -8.889 17.569 -2.576 375 HG22 THR 48 1HG2 THR 48 -10.063 18.372 -1.537 376 HG23 THR 48 2HG2 THR 48 -10.104 18.635 -3.282 377 H ASP 49 H ASP 49 -10.955 15.429 0.908 378 HA ASP 49 HA ASP 49 -13.855 14.992 0.683 379 HB2 ASP 49 2HB ASP 49 -12.624 12.948 1.405 380 HB3 ASP 49 1HB ASP 49 -11.970 13.846 2.771 381 H GLY 50 H GLY 50 -14.707 15.389 3.187 382 HA2 GLY 50 2HA GLY 50 -14.328 18.207 3.573 383 HA3 GLY 50 1HA GLY 50 -15.376 17.153 4.510 384 H LYS 51 H LYS 51 -11.904 17.362 3.898 385 HA LYS 51 HA LYS 51 -10.078 17.427 5.240 386 HB2 LYS 51 2HB LYS 51 -12.087 18.645 7.123 387 HB3 LYS 51 1HB LYS 51 -10.386 18.472 7.534 388 HG2 LYS 51 2HG LYS 51 -9.777 20.206 6.268 389 HG3 LYS 51 1HG LYS 51 -10.813 19.709 4.931 390 HD2 LYS 51 2HD LYS 51 -12.762 20.643 6.145 391 HD3 LYS 51 1HD LYS 51 -11.663 21.221 7.400 392 HE2 LYS 51 2HE LYS 51 -10.501 22.600 5.749 393 HE3 LYS 51 1HE LYS 51 -11.579 22.009 4.489 394 HZ1 LYS 51 3HZ LYS 51 -13.420 22.935 5.986 395 HZ2 LYS 51 1HZ LYS 51 -12.496 24.030 5.085 396 HZ3 LYS 51 2HZ LYS 51 -12.188 23.819 6.732 397 H GLY 52 H GLY 52 -11.854 15.080 5.178 398 HA2 GLY 52 2HA GLY 52 -10.746 13.765 7.558 399 HA3 GLY 52 1HA GLY 52 -12.442 13.548 7.154 400 H GLN 53 H GLN 53 -10.147 13.849 4.585 401 HA GLN 53 HA GLN 53 -10.889 11.396 3.435 402 HB2 GLN 53 2HB GLN 53 -8.827 11.773 1.978 403 HB3 GLN 53 1HB GLN 53 -10.070 13.010 1.933 404 HG2 GLN 53 2HG GLN 53 -7.888 13.389 3.886 405 HG3 GLN 53 1HG GLN 53 -7.471 13.550 2.179 406 HE21 GLN 53 1HE2 GLN 53 -8.339 15.236 0.988 407 HE22 GLN 53 2HE2 GLN 53 -9.114 16.591 1.742 408 H LYS 54 H LYS 54 -10.253 9.389 3.816 409 HA LYS 54 HA LYS 54 -8.027 8.956 5.658 410 HB2 LYS 54 2HB LYS 54 -10.455 8.054 5.969 411 HB3 LYS 54 1HB LYS 54 -9.965 6.840 4.800 412 HG2 LYS 54 2HG LYS 54 -8.567 5.799 6.249 413 HG3 LYS 54 1HG LYS 54 -8.173 7.284 7.112 414 HD2 LYS 54 2HD LYS 54 -10.913 6.079 7.281 415 HD3 LYS 54 1HD LYS 54 -9.602 5.507 8.313 416 HE2 LYS 54 2HE LYS 54 -9.290 7.746 9.202 417 HE3 LYS 54 1HE LYS 54 -10.536 8.372 8.128 418 HZ1 LYS 54 3HZ LYS 54 -10.975 6.352 10.256 419 HZ2 LYS 54 1HZ LYS 54 -12.165 7.016 9.254 420 HZ3 LYS 54 2HZ LYS 54 -11.361 7.994 10.376 421 H ILE 55 H ILE 55 -6.149 8.551 4.722 422 HA ILE 55 HA ILE 55 -6.090 6.917 2.267 423 HB ILE 55 HB ILE 55 -3.941 8.824 3.229 424 HG12 ILE 55 2HG1 ILE 55 -6.002 9.243 1.048 425 HG13 ILE 55 1HG1 ILE 55 -6.030 10.024 2.625 426 HG21 ILE 55 1HG2 ILE 55 -3.482 6.792 1.655 427 HG22 ILE 55 2HG2 ILE 55 -2.791 8.370 1.281 428 HG23 ILE 55 3HG2 ILE 55 -4.231 7.818 0.433 429 HD11 ILE 55 3HD1 ILE 55 -3.943 10.371 0.485 430 HD12 ILE 55 1HD1 ILE 55 -3.879 11.104 2.087 431 HD13 ILE 55 2HD1 ILE 55 -5.170 11.541 0.968 432 H SER 56 H SER 56 -6.068 4.944 3.363 433 HA SER 56 HA SER 56 -3.658 4.448 4.974 434 HB2 SER 56 2HB SER 56 -6.249 2.942 5.314 435 HB3 SER 56 1HB SER 56 -4.873 3.014 6.417 436 HG SER 56 HG SER 56 -5.688 5.496 6.033 437 H VAL 57 H VAL 57 -2.327 3.451 3.587 438 HA VAL 57 HA VAL 57 -3.333 1.491 1.698 439 HB VAL 57 HB VAL 57 -0.460 2.281 2.225 440 HG11 VAL 57 1HG1 VAL 57 -1.752 0.927 -0.143 441 HG12 VAL 57 2HG1 VAL 57 -0.744 0.136 1.068 442 HG13 VAL 57 3HG1 VAL 57 -0.048 1.356 0.001 443 HG21 VAL 57 3HG2 VAL 57 -2.095 4.132 1.487 444 HG22 VAL 57 1HG2 VAL 57 -2.121 3.284 -0.060 445 HG23 VAL 57 2HG2 VAL 57 -0.602 3.920 0.569 446 H HIS 58 H HIS 58 -4.013 -0.256 2.849 447 HA HIS 58 HA HIS 58 -2.207 -1.460 4.805 448 HB2 HIS 58 2HB HIS 58 -5.064 -2.129 4.066 449 HB3 HIS 58 1HB HIS 58 -4.128 -2.977 5.293 450 HD1 HIS 58 HD1 HIS 58 -6.808 -1.093 5.554 451 HD2 HIS 58 HD2 HIS 58 -2.930 -0.273 6.801 452 HE1 HIS 58 HE1 HIS 58 -7.031 0.626 7.369 453 H VAL 59 H VAL 59 -0.633 -2.137 3.332 454 HA VAL 59 HA VAL 59 -1.393 -4.117 1.329 455 HB VAL 59 HB VAL 59 1.230 -4.027 0.962 456 HG11 VAL 59 1HG1 VAL 59 0.872 -2.212 -0.664 457 HG12 VAL 59 2HG1 VAL 59 -0.678 -1.857 0.097 458 HG13 VAL 59 3HG1 VAL 59 -0.420 -3.408 -0.699 459 HG21 VAL 59 3HG2 VAL 59 1.408 -2.490 3.015 460 HG22 VAL 59 1HG2 VAL 59 0.774 -1.232 1.955 461 HG23 VAL 59 2HG2 VAL 59 2.294 -2.032 1.559 462 H LYS 60 H LYS 60 -2.028 -5.637 3.045 463 HA LYS 60 HA LYS 60 0.136 -6.798 4.584 464 HB2 LYS 60 2HB LYS 60 -2.668 -6.648 4.901 465 HB3 LYS 60 1HB LYS 60 -2.278 -8.354 4.709 466 HG2 LYS 60 2HG LYS 60 -0.804 -8.315 6.569 467 HG3 LYS 60 1HG LYS 60 -0.859 -6.554 6.653 468 HD2 LYS 60 2HD LYS 60 -3.262 -6.691 7.207 469 HD3 LYS 60 1HD LYS 60 -3.134 -8.452 7.221 470 HE2 LYS 60 2HE LYS 60 -1.406 -8.259 8.991 471 HE3 LYS 60 1HE LYS 60 -1.675 -6.519 9.019 472 HZ1 LYS 60 3HZ LYS 60 -3.863 -6.821 9.805 473 HZ2 LYS 60 1HZ LYS 60 -2.882 -7.821 10.751 474 HZ3 LYS 60 2HZ LYS 60 -3.825 -8.486 9.522 475 H LEU 61 H LEU 61 1.083 -7.129 2.333 476 HA LEU 61 HA LEU 61 0.157 -9.377 0.809 477 HB2 LEU 61 2HB LEU 61 2.752 -7.848 0.701 478 HB3 LEU 61 1HB LEU 61 2.235 -9.035 -0.479 479 HG LEU 61 HG LEU 61 0.425 -6.732 0.023 480 HD11 LEU 61 1HD1 LEU 61 1.679 -5.348 -1.573 481 HD12 LEU 61 2HD1 LEU 61 2.986 -6.531 -1.556 482 HD13 LEU 61 3HD1 LEU 61 2.585 -5.638 -0.090 483 HD21 LEU 61 3HD2 LEU 61 0.084 -6.980 -2.400 484 HD22 LEU 61 1HD2 LEU 61 -0.232 -8.474 -1.518 485 HD23 LEU 61 2HD2 LEU 61 1.272 -8.281 -2.418 486 H GLY 62 H GLY 62 2.359 -8.880 3.436 487 HA2 GLY 62 2HA GLY 62 3.292 -10.479 4.816 488 HA3 GLY 62 1HA GLY 62 2.646 -11.719 3.757 489 H ASN 63 H ASN 63 4.258 -12.983 3.109 490 HA ASN 63 HA ASN 63 6.970 -12.057 2.956 491 HB2 ASN 63 2HB ASN 63 7.538 -14.362 2.455 492 HB3 ASN 63 1HB ASN 63 6.394 -14.304 3.792 493 HD21 ASN 63 1HD2 ASN 63 6.979 -16.517 2.023 494 HD22 ASN 63 2HD2 ASN 63 5.486 -16.937 1.262 495 H ARG 64 H ARG 64 5.069 -10.879 1.032 496 HA ARG 64 HA ARG 64 5.697 -11.939 -1.554 497 HB2 ARG 64 2HB ARG 64 3.780 -10.770 -1.818 498 HB3 ARG 64 1HB ARG 64 4.105 -9.744 -0.434 499 HG2 ARG 64 2HG ARG 64 4.034 -8.253 -2.192 500 HG3 ARG 64 1HG ARG 64 5.763 -8.536 -1.997 501 HD2 ARG 64 2HD ARG 64 5.834 -9.955 -3.888 502 HD3 ARG 64 1HD ARG 64 4.074 -10.070 -3.959 503 HE ARG 64 HE ARG 64 4.186 -7.573 -4.456 504 HH11 ARG 64 1HH1 ARG 64 6.737 -9.797 -5.383 505 HH12 ARG 64 2HH1 ARG 64 7.207 -8.870 -6.768 506 HH21 ARG 64 1HH2 ARG 64 4.777 -6.374 -6.290 507 HH22 ARG 64 2HH2 ARG 64 6.098 -6.927 -7.289 508 H PHE 65 H PHE 65 7.150 -9.721 0.648 509 HA PHE 65 HA PHE 65 9.063 -8.517 0.654 510 HB2 PHE 65 2HB PHE 65 9.710 -10.935 -0.451 511 HB3 PHE 65 1HB PHE 65 10.280 -9.820 -1.688 512 HD1 PHE 65 HD2 PHE 65 11.923 -8.038 -1.054 513 HD2 PHE 65 HD1 PHE 65 10.884 -11.234 1.553 514 HE1 PHE 65 HE2 PHE 65 13.958 -7.617 0.264 515 HE2 PHE 65 HE1 PHE 65 12.917 -10.821 2.878 516 HZ PHE 65 HZ PHE 65 14.457 -9.007 2.231 517 H LEU 66 H LEU 66 7.424 -6.903 -0.246 518 HA LEU 66 HA LEU 66 7.836 -6.104 -2.992 519 HB2 LEU 66 2HB LEU 66 5.633 -5.847 -2.000 520 HB3 LEU 66 1HB LEU 66 6.290 -4.860 -0.709 521 HG LEU 66 HG LEU 66 6.933 -3.170 -2.482 522 HD11 LEU 66 1HD1 LEU 66 5.105 -4.869 -4.168 523 HD12 LEU 66 2HD1 LEU 66 6.835 -4.634 -4.417 524 HD13 LEU 66 3HD1 LEU 66 5.727 -3.276 -4.600 525 HD21 LEU 66 3HD2 LEU 66 5.000 -2.913 -0.990 526 HD22 LEU 66 1HD2 LEU 66 3.996 -3.770 -2.162 527 HD23 LEU 66 2HD2 LEU 66 4.712 -2.213 -2.583 528 H TYR 67 H TYR 67 8.866 -4.199 -3.663 529 HA TYR 67 HA TYR 67 11.063 -3.358 -1.993 530 HB2 TYR 67 2HB TYR 67 10.208 -2.394 -4.733 531 HB3 TYR 67 1HB TYR 67 11.723 -1.990 -3.936 532 HD1 TYR 67 HD1 TYR 67 13.453 -3.756 -3.601 533 HD2 TYR 67 HD2 TYR 67 9.924 -4.470 -5.879 534 HE1 TYR 67 HE1 TYR 67 14.517 -5.719 -4.629 535 HE2 TYR 67 HE2 TYR 67 10.985 -6.437 -6.905 536 HH TYR 67 HH TYR 67 13.489 -7.141 -7.362 537 H LYS 68 H LYS 68 9.489 -2.562 -0.352 538 HA LYS 68 HA LYS 68 7.761 -0.434 -0.696 539 HB2 LYS 68 2HB LYS 68 7.853 -0.095 1.683 540 HB3 LYS 68 1HB LYS 68 7.892 -1.820 1.344 541 HG2 LYS 68 2HG LYS 68 10.072 -2.047 2.066 542 HG3 LYS 68 1HG LYS 68 10.470 -0.362 1.716 543 HD2 LYS 68 2HD LYS 68 8.424 -0.332 3.654 544 HD3 LYS 68 1HD LYS 68 9.603 -1.539 4.177 545 HE2 LYS 68 2HE LYS 68 10.132 0.712 5.059 546 HE3 LYS 68 1HE LYS 68 11.401 0.100 3.993 547 HZ1 LYS 68 3HZ LYS 68 9.843 2.464 3.742 548 HZ2 LYS 68 1HZ LYS 68 9.640 1.482 2.375 549 HZ3 LYS 68 2HZ LYS 68 11.196 1.960 2.834 550 H GLU 69 H GLU 69 11.175 -0.304 -0.877 551 HA GLU 69 HA GLU 69 11.554 2.354 0.034 552 HB2 GLU 69 2HB GLU 69 13.177 0.598 -1.811 553 HB3 GLU 69 1HB GLU 69 13.683 2.219 -1.349 554 HG2 GLU 69 2HG GLU 69 13.233 -0.116 0.493 555 HG3 GLU 69 1HG GLU 69 14.785 0.584 0.040 556 H GLN 70 H GLN 70 10.278 0.989 -2.842 557 HA GLN 70 HA GLN 70 10.688 3.251 -4.550 558 HB2 GLN 70 2HB GLN 70 8.842 0.864 -4.693 559 HB3 GLN 70 1HB GLN 70 8.886 2.111 -5.932 560 HG2 GLN 70 2HG GLN 70 11.475 0.858 -5.209 561 HG3 GLN 70 1HG GLN 70 10.320 -0.138 -6.097 562 HE21 GLN 70 1HE2 GLN 70 9.588 0.606 -8.142 563 HE22 GLN 70 2HE2 GLN 70 10.565 1.672 -9.091 564 H GLU 71 H GLU 71 7.881 1.895 -2.856 565 HA GLU 71 HA GLU 71 6.143 4.044 -3.407 566 HB2 GLU 71 2HB GLU 71 6.094 1.982 -1.199 567 HB3 GLU 71 1HB GLU 71 4.785 3.113 -1.506 568 HG2 GLU 71 2HG GLU 71 4.226 1.008 -2.490 569 HG3 GLU 71 1HG GLU 71 4.558 2.157 -3.788 570 H GLU 72 H GLU 72 8.443 3.427 -0.859 571 HA GLU 72 HA GLU 72 7.647 5.354 0.993 572 HB2 GLU 72 2HB GLU 72 9.454 3.511 1.179 573 HB3 GLU 72 1HB GLU 72 10.538 4.705 0.480 574 HG2 GLU 72 2HG GLU 72 10.812 4.803 2.818 575 HG3 GLU 72 1HG GLU 72 9.907 6.245 2.357 576 H GLN 73 H GLN 73 9.914 5.638 -1.738 577 HA GLN 73 HA GLN 73 10.676 8.289 -1.213 578 HB2 GLN 73 2HB GLN 73 11.776 8.274 -3.270 579 HB3 GLN 73 1HB GLN 73 11.773 6.582 -2.793 580 HG2 GLN 73 2HG GLN 73 9.831 6.211 -4.273 581 HG3 GLN 73 1HG GLN 73 9.943 7.891 -4.792 582 HE21 GLN 73 1HE2 GLN 73 10.331 7.319 -6.933 583 HE22 GLN 73 2HE2 GLN 73 11.843 6.658 -7.447 584 H LEU 74 H LEU 74 7.943 7.003 -3.069 585 HA LEU 74 HA LEU 74 7.240 9.636 -4.014 586 HB2 LEU 74 2HB LEU 74 5.248 8.598 -4.984 587 HB3 LEU 74 1HB LEU 74 6.712 7.755 -5.440 588 HG LEU 74 HG LEU 74 5.899 6.303 -3.270 589 HD11 LEU 74 1HD1 LEU 74 3.807 7.573 -3.112 590 HD12 LEU 74 2HD1 LEU 74 3.522 5.879 -3.522 591 HD13 LEU 74 3HD1 LEU 74 3.415 7.119 -4.771 592 HD21 LEU 74 3HD2 LEU 74 5.329 5.977 -6.203 593 HD22 LEU 74 1HD2 LEU 74 5.026 4.712 -5.012 594 HD23 LEU 74 2HD2 LEU 74 6.668 5.305 -5.276 595 H THR 75 H THR 75 6.365 7.569 -1.345 596 HA THR 75 HA THR 75 4.063 9.048 -0.557 597 HB THR 75 HB THR 75 5.827 7.287 1.162 598 HG1 THR 75 HG1 THR 75 5.005 6.086 -0.558 599 HG21 THR 75 3HG2 THR 75 2.942 8.110 1.522 600 HG22 THR 75 1HG2 THR 75 4.302 8.753 2.440 601 HG23 THR 75 2HG2 THR 75 3.867 7.048 2.585 602 H GLU 76 H GLU 76 7.484 9.391 -0.061 603 HA GLU 76 HA GLU 76 7.594 11.017 2.175 604 HB2 GLU 76 2HB GLU 76 9.320 10.823 -0.273 605 HB3 GLU 76 1HB GLU 76 9.664 12.011 0.980 606 HG2 GLU 76 2HG GLU 76 9.575 9.019 1.303 607 HG3 GLU 76 1HG GLU 76 11.003 10.052 1.336 608 H LEU 77 H LEU 77 6.681 11.801 -1.113 609 HA LEU 77 HA LEU 77 6.874 14.593 -1.017 610 HB2 LEU 77 2HB LEU 77 5.185 12.675 -2.572 611 HB3 LEU 77 1HB LEU 77 4.828 14.388 -2.659 612 HG LEU 77 HG LEU 77 7.254 14.717 -3.357 613 HD11 LEU 77 1HD1 LEU 77 8.107 12.553 -2.630 614 HD12 LEU 77 2HD1 LEU 77 8.362 12.790 -4.358 615 HD13 LEU 77 3HD1 LEU 77 7.060 11.743 -3.795 616 HD21 LEU 77 3HD2 LEU 77 5.399 13.155 -5.145 617 HD22 LEU 77 1HD2 LEU 77 6.776 14.118 -5.681 618 HD23 LEU 77 2HD2 LEU 77 5.400 14.904 -4.909 619 H ILE 78 H ILE 78 4.207 12.429 -0.161 620 HA ILE 78 HA ILE 78 2.532 14.595 0.748 621 HB ILE 78 HB ILE 78 2.154 11.614 1.088 622 HG12 ILE 78 2HG1 ILE 78 0.313 12.376 -0.753 623 HG13 ILE 78 1HG1 ILE 78 1.636 13.465 -1.157 624 HG21 ILE 78 1HG2 ILE 78 0.808 12.728 2.690 625 HG22 ILE 78 2HG2 ILE 78 -0.256 12.278 1.359 626 HG23 ILE 78 3HG2 ILE 78 0.302 13.943 1.517 627 HD11 ILE 78 3HD1 ILE 78 1.689 11.420 -2.485 628 HD12 ILE 78 1HD1 ILE 78 1.826 10.464 -1.009 629 HD13 ILE 78 2HD1 ILE 78 3.120 11.571 -1.466 630 H ALA 79 H ALA 79 4.691 12.219 2.107 631 HA ALA 79 HA ALA 79 3.969 12.427 4.814 632 HB1 ALA 79 1HB ALA 79 5.384 10.636 3.814 633 HB2 ALA 79 2HB ALA 79 6.029 11.327 5.304 634 HB3 ALA 79 3HB ALA 79 6.710 11.795 3.748 635 H SER 80 H SER 80 5.704 14.583 2.775 636 HA SER 80 HA SER 80 7.238 15.911 4.740 637 HB2 SER 80 2HB SER 80 6.154 17.004 2.131 638 HB3 SER 80 1HB SER 80 7.461 17.705 3.081 639 HG SER 80 HG SER 80 7.596 15.034 2.164 640 H LYS 81 H LYS 81 3.907 15.995 3.883 641 HA LYS 81 HA LYS 81 3.341 17.814 6.065 642 HB2 LYS 81 2HB LYS 81 1.824 19.223 4.669 643 HB3 LYS 81 1HB LYS 81 3.528 19.427 4.284 644 HG2 LYS 81 2HG LYS 81 1.914 17.488 2.681 645 HG3 LYS 81 1HG LYS 81 1.736 19.217 2.368 646 HD2 LYS 81 2HD LYS 81 4.160 19.386 2.014 647 HD3 LYS 81 1HD LYS 81 4.317 17.654 2.310 648 HE2 LYS 81 2HE LYS 81 4.306 17.971 -0.048 649 HE3 LYS 81 1HE LYS 81 2.747 17.282 0.392 650 HZ1 LYS 81 3HZ LYS 81 3.332 20.109 -0.269 651 HZ2 LYS 81 1HZ LYS 81 1.857 19.594 0.375 652 HZ3 LYS 81 2HZ LYS 81 2.360 19.033 -1.134 653 H LYS 82 H LYS 82 2.845 15.383 6.432 654 HA LYS 82 HA LYS 82 0.446 14.379 5.250 655 HB2 LYS 82 2HB LYS 82 0.643 12.546 6.915 656 HB3 LYS 82 1HB LYS 82 2.091 12.787 5.953 657 HG2 LYS 82 2HG LYS 82 2.381 14.354 8.283 658 HG3 LYS 82 1HG LYS 82 1.796 12.768 8.784 659 HD2 LYS 82 2HD LYS 82 3.607 11.703 7.505 660 HD3 LYS 82 1HD LYS 82 4.191 13.298 7.021 661 HE2 LYS 82 2HE LYS 82 4.574 13.858 9.393 662 HE3 LYS 82 1HE LYS 82 4.043 12.239 9.851 663 HZ1 LYS 82 3HZ LYS 82 6.439 12.947 8.245 664 HZ2 LYS 82 1HZ LYS 82 5.883 11.364 8.458 665 HZ3 LYS 82 2HZ LYS 82 6.404 12.261 9.792 666 H ASP 83 H ASP 83 -0.840 16.294 5.700 667 HA ASP 83 HA ASP 83 -1.752 16.657 8.428 668 HB2 ASP 83 2HB ASP 83 -1.568 18.656 7.095 669 HB3 ASP 83 1HB ASP 83 -2.565 17.960 5.821 670 H LEU 84 H LEU 84 -2.809 15.155 5.476 671 HA LEU 84 HA LEU 84 -5.492 14.651 6.305 672 HB2 LEU 84 2HB LEU 84 -3.897 13.177 4.201 673 HB3 LEU 84 1HB LEU 84 -5.640 13.192 4.369 674 HG LEU 84 HG LEU 84 -5.400 14.650 2.633 675 HD11 LEU 84 1HD1 LEU 84 -6.400 15.812 4.667 676 HD12 LEU 84 2HD1 LEU 84 -5.861 16.830 3.330 677 HD13 LEU 84 3HD1 LEU 84 -4.866 16.673 4.779 678 HD21 LEU 84 3HD2 LEU 84 -2.948 14.490 2.580 679 HD22 LEU 84 1HD2 LEU 84 -2.858 15.726 3.837 680 HD23 LEU 84 2HD2 LEU 84 -3.524 16.125 2.253 681 H PHE 85 H PHE 85 -6.297 12.313 6.474 682 HA PHE 85 HA PHE 85 -4.746 11.014 8.529 683 HB2 PHE 85 2HB PHE 85 -7.401 10.319 7.259 684 HB3 PHE 85 1HB PHE 85 -6.673 9.399 8.568 685 HD1 PHE 85 HD1 PHE 85 -6.169 10.650 10.742 686 HD2 PHE 85 HD2 PHE 85 -8.745 12.155 7.705 687 HE1 PHE 85 HE1 PHE 85 -7.207 12.163 12.378 688 HE2 PHE 85 HE2 PHE 85 -9.786 13.673 9.341 689 HZ PHE 85 HZ PHE 85 -9.019 13.678 11.676 690 H VAL 86 H VAL 86 -2.933 10.635 7.076 691 HA VAL 86 HA VAL 86 -3.334 8.323 5.312 692 HB VAL 86 HB VAL 86 -2.426 10.324 4.177 693 HG11 VAL 86 1HG1 VAL 86 -1.174 11.277 6.059 694 HG12 VAL 86 2HG1 VAL 86 -0.169 11.098 4.626 695 HG13 VAL 86 3HG1 VAL 86 -0.023 9.949 5.956 696 HG21 VAL 86 3HG2 VAL 86 -1.870 8.005 3.438 697 HG22 VAL 86 1HG2 VAL 86 -0.364 8.140 4.343 698 HG23 VAL 86 2HG2 VAL 86 -0.672 9.219 2.982 699 H HIS 87 H HIS 87 -2.295 6.458 5.683 700 HA HIS 87 HA HIS 87 0.079 6.268 7.239 701 HB2 HIS 87 2HB HIS 87 -2.249 6.341 8.755 702 HB3 HIS 87 1HB HIS 87 -1.884 4.621 8.626 703 HD1 HIS 87 HD1 HIS 87 -0.163 3.752 10.213 704 HD2 HIS 87 HD2 HIS 87 0.018 7.877 9.793 705 HE1 HIS 87 HE1 HIS 87 1.577 4.521 11.854 706 H SER 88 H SER 88 1.156 4.716 6.204 707 HA SER 88 HA SER 88 -0.375 2.512 5.007 708 HB2 SER 88 2HB SER 88 2.424 3.398 4.282 709 HB3 SER 88 1HB SER 88 1.378 2.301 3.381 710 HG SER 88 HG SER 88 1.543 4.629 2.707 711 H ILE 89 H ILE 89 0.307 0.386 5.286 712 HA ILE 89 HA ILE 89 2.619 -0.198 6.920 713 HB ILE 89 HB ILE 89 0.977 0.273 8.655 714 HG12 ILE 89 2HG1 ILE 89 1.463 -2.702 8.379 715 HG13 ILE 89 1HG1 ILE 89 2.617 -1.536 9.020 716 HG21 ILE 89 1HG2 ILE 89 -1.021 -1.239 8.868 717 HG22 ILE 89 2HG2 ILE 89 -0.712 -1.748 7.207 718 HG23 ILE 89 3HG2 ILE 89 -1.087 -0.059 7.557 719 HD11 ILE 89 3HD1 ILE 89 1.534 -2.739 10.812 720 HD12 ILE 89 1HD1 ILE 89 -0.050 -2.244 10.219 721 HD13 ILE 89 2HD1 ILE 89 1.068 -1.037 10.855 722 H ASP 90 H ASP 90 3.412 -2.195 6.546 723 HA ASP 90 HA ASP 90 1.839 -4.010 4.837 724 HB2 ASP 90 2HB ASP 90 3.921 -4.622 3.686 725 HB3 ASP 90 1HB ASP 90 3.655 -2.888 3.574 726 H SER 91 H SER 91 3.241 -6.259 4.872 727 HA SER 91 HA SER 91 3.776 -6.849 7.700 728 HB2 SER 91 2HB SER 91 2.854 -9.223 6.933 729 HB3 SER 91 1HB SER 91 1.757 -7.946 7.465 730 HG SER 91 HG SER 91 1.249 -9.051 5.415 731 H GLU 92 H GLU 92 5.838 -6.126 6.027 732 HA GLU 92 HA GLU 92 7.091 -8.329 4.745 733 HB2 GLU 92 2HB GLU 92 9.024 -6.914 4.560 734 HB3 GLU 92 1HB GLU 92 7.597 -5.911 4.311 735 HG2 GLU 92 2HG GLU 92 7.799 -4.916 6.426 736 HG3 GLU 92 1HG GLU 92 8.923 -6.150 6.991 737 H VAL 93 H VAL 93 9.628 -8.525 5.602 738 HA VAL 93 HA VAL 93 9.407 -9.472 8.382 739 HB VAL 93 HB VAL 93 9.485 -11.399 6.896 740 HG11 VAL 93 1HG1 VAL 93 10.546 -10.408 4.959 741 HG12 VAL 93 2HG1 VAL 93 11.426 -11.847 5.470 742 HG13 VAL 93 3HG1 VAL 93 12.063 -10.247 5.846 743 HG21 VAL 93 3HG2 VAL 93 10.580 -11.673 9.011 744 HG22 VAL 93 1HG2 VAL 93 12.060 -10.944 8.390 745 HG23 VAL 93 2HG2 VAL 93 11.523 -12.507 7.776 746 H ILE 94 H ILE 94 11.021 -8.885 9.753 747 HA ILE 94 HA ILE 94 12.769 -6.795 8.907 748 HB ILE 94 HB ILE 94 11.793 -6.797 11.148 749 HG12 ILE 94 2HG1 ILE 94 14.211 -5.890 10.513 750 HG13 ILE 94 1HG1 ILE 94 13.578 -5.761 12.147 751 HG21 ILE 94 1HG2 ILE 94 12.627 -8.310 12.902 752 HG22 ILE 94 2HG2 ILE 94 13.502 -9.222 11.669 753 HG23 ILE 94 3HG2 ILE 94 11.740 -9.154 11.633 754 HD11 ILE 94 3HD1 ILE 94 15.890 -6.491 12.152 755 HD12 ILE 94 1HD1 ILE 94 15.471 -7.878 11.145 756 HD13 ILE 94 2HD1 ILE 94 14.838 -7.757 12.787 757 H THR 95 H THR 95 14.683 -7.007 8.013 758 HA THR 95 HA THR 95 16.185 -9.495 8.466 759 HB THR 95 HB THR 95 16.398 -7.845 5.950 760 HG1 THR 95 HG1 THR 95 14.893 -10.243 6.115 761 HG21 THR 95 3HG2 THR 95 17.070 -10.729 6.541 762 HG22 THR 95 1HG2 THR 95 18.235 -9.404 6.469 763 HG23 THR 95 2HG2 THR 95 17.350 -9.881 5.022 764 H LYS 96 H LYS 96 17.717 -8.922 9.898 765 HA LYS 96 HA LYS 96 19.050 -6.341 9.627 766 HB2 LYS 96 2HB LYS 96 18.217 -7.535 11.857 767 HB3 LYS 96 1HB LYS 96 19.806 -8.286 11.754 768 HG2 LYS 96 2HG LYS 96 20.258 -5.574 11.292 769 HG3 LYS 96 1HG LYS 96 19.078 -5.632 12.602 770 HD2 LYS 96 2HD LYS 96 21.572 -7.307 12.625 771 HD3 LYS 96 1HD LYS 96 21.550 -5.654 13.240 772 HE2 LYS 96 2HE LYS 96 19.753 -6.273 14.793 773 HE3 LYS 96 1HE LYS 96 19.825 -7.929 14.199 774 HZ1 LYS 96 3HZ LYS 96 22.058 -6.489 15.520 775 HZ2 LYS 96 1HZ LYS 96 22.093 -8.091 14.985 776 HZ3 LYS 96 2HZ LYS 96 21.071 -7.647 16.258 777 H LYS 97 H LYS 97 19.985 -7.067 7.586 778 HA LYS 97 HA LYS 97 22.688 -7.868 7.909 779 HB2 LYS 97 2HB LYS 97 21.746 -10.108 8.042 780 HB3 LYS 97 1HB LYS 97 20.807 -9.835 6.580 781 HG2 LYS 97 2HG LYS 97 22.907 -9.625 5.297 782 HG3 LYS 97 1HG LYS 97 23.815 -9.980 6.767 783 HD2 LYS 97 2HD LYS 97 21.717 -11.834 5.669 784 HD3 LYS 97 1HD LYS 97 23.408 -11.917 5.180 785 HE2 LYS 97 2HE LYS 97 23.889 -12.031 7.720 786 HE3 LYS 97 1HE LYS 97 22.188 -12.470 7.857 787 HZ1 LYS 97 3HZ LYS 97 22.612 -14.300 6.305 788 HZ2 LYS 97 1HZ LYS 97 23.535 -14.437 7.714 789 HZ3 LYS 97 2HZ LYS 97 24.251 -13.901 6.278 790 H GLU 98 H GLU 98 23.886 -7.139 6.222 791 HA GLU 98 HA GLU 98 22.506 -5.621 4.173 792 HB2 GLU 98 2HB GLU 98 25.476 -5.966 4.205 793 HB3 GLU 98 1HB GLU 98 24.524 -4.552 3.785 794 HG2 GLU 98 2HG GLU 98 24.355 -3.848 5.937 795 HG3 GLU 98 1HG GLU 98 24.445 -5.481 6.596 796 H ALA 99 H ALA 99 21.794 -8.115 3.665 797 HA ALA 99 HA ALA 99 23.666 -9.386 1.835 798 HB1 ALA 99 1HB ALA 99 20.868 -10.203 2.613 799 HB2 ALA 99 2HB ALA 99 22.348 -10.751 3.399 800 HB3 ALA 99 3HB ALA 99 22.032 -11.180 1.719 801 H GLN 100 H GLN 100 21.537 -6.898 1.573 802 HA GLN 100 HA GLN 100 20.300 -7.596 -0.934 803 HB2 GLN 100 2HB GLN 100 19.160 -6.147 0.688 804 HB3 GLN 100 1HB GLN 100 20.443 -4.955 0.534 805 HG2 GLN 100 2HG GLN 100 19.858 -4.682 -1.853 806 HG3 GLN 100 1HG GLN 100 18.518 -5.807 -1.627 807 HE21 GLN 100 1HE2 GLN 100 18.479 -2.984 -2.424 808 HE22 GLN 100 2HE2 GLN 100 17.487 -2.178 -1.259 809 H GLN 101 H GLN 101 21.223 -7.419 -2.856 810 HA GLN 101 HA GLN 101 23.752 -6.058 -3.161 811 HB2 GLN 101 2HB GLN 101 23.367 -8.224 -4.273 812 HB3 GLN 101 1HB GLN 101 22.035 -7.521 -5.182 813 HG2 GLN 101 2HG GLN 101 24.041 -7.702 -6.561 814 HG3 GLN 101 1HG GLN 101 23.590 -6.014 -6.321 815 HE21 GLN 101 1HE2 GLN 101 24.965 -4.664 -5.274 816 HE22 GLN 101 2HE2 GLN 101 26.544 -5.115 -4.737 817 H ILE 102 H ILE 102 23.475 -3.877 -3.064 818 HA ILE 102 HA ILE 102 21.941 -2.679 -5.248 819 HB ILE 102 HB ILE 102 20.471 -2.634 -3.269 820 HG12 ILE 102 2HG1 ILE 102 20.189 -0.081 -3.173 821 HG13 ILE 102 1HG1 ILE 102 21.554 -0.013 -4.281 822 HG21 ILE 102 1HG2 ILE 102 21.052 -1.245 -1.327 823 HG22 ILE 102 2HG2 ILE 102 22.665 -1.009 -2.002 824 HG23 ILE 102 3HG2 ILE 102 22.140 -2.622 -1.516 825 HD11 ILE 102 3HD1 ILE 102 18.941 -1.414 -4.780 826 HD12 ILE 102 1HD1 ILE 102 20.310 -1.352 -5.894 827 HD13 ILE 102 2HD1 ILE 102 19.452 0.129 -5.470 828 H ARG 103 H ARG 103 22.744 -0.703 -5.967 829 HA ARG 103 HA ARG 103 25.145 0.358 -4.666 830 HB2 ARG 103 2HB ARG 103 24.926 -0.647 -7.493 831 HB3 ARG 103 1HB ARG 103 26.041 0.659 -7.096 832 HG2 ARG 103 2HG ARG 103 26.068 -2.033 -5.735 833 HG3 ARG 103 1HG ARG 103 27.078 -1.614 -7.122 834 HD2 ARG 103 2HD ARG 103 28.567 -0.968 -5.579 835 HD3 ARG 103 1HD ARG 103 27.560 0.472 -5.431 836 HE ARG 103 HE ARG 103 26.691 -1.673 -3.740 837 HH11 ARG 103 1HH1 ARG 103 28.877 1.051 -4.018 838 HH12 ARG 103 2HH1 ARG 103 29.124 1.184 -2.298 839 HH21 ARG 103 1HH2 ARG 103 26.984 -1.467 -1.478 840 HH22 ARG 103 2HH2 ARG 103 28.049 -0.241 -0.863 841 H GLU 104 H GLU 104 25.557 2.557 -5.164 842 HA GLU 104 HA GLU 104 23.297 3.934 -6.482 843 HB2 GLU 104 2HB GLU 104 23.796 4.097 -3.828 844 HB3 GLU 104 1HB GLU 104 24.837 5.393 -4.404 845 HG2 GLU 104 2HG GLU 104 22.717 6.159 -5.694 846 HG3 GLU 104 1HG GLU 104 21.863 5.152 -4.525 847 H GLU 105 H GLU 105 26.110 2.986 -7.205 848 HA GLU 105 HA GLU 105 27.136 5.552 -8.193 849 HB2 GLU 105 2HB GLU 105 28.841 3.094 -7.913 850 HB3 GLU 105 1HB GLU 105 29.338 4.777 -8.015 851 HG2 GLU 105 2HG GLU 105 29.673 4.483 -5.811 852 HG3 GLU 105 1HG GLU 105 27.963 4.899 -5.744 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -33.480 -16.238 -0.847 2 HA2 GLY 1 1HA GLY 1 -31.317 -16.831 -1.746 3 HA3 GLY 1 2HA GLY 1 -32.462 -18.161 -1.830 4 H SER 2 H SER 2 -30.726 -15.740 -3.647 5 HA SER 2 HA SER 2 -31.688 -16.808 -6.174 6 HB2 SER 2 2HB SER 2 -29.638 -14.633 -5.711 7 HB3 SER 2 1HB SER 2 -30.514 -14.973 -7.207 8 HG SER 2 HG SER 2 -32.464 -14.551 -5.847 9 H HIS 3 H HIS 3 -28.711 -16.629 -4.283 10 HA HIS 3 HA HIS 3 -27.709 -19.024 -5.480 11 HB2 HIS 3 2HB HIS 3 -25.524 -17.919 -6.214 12 HB3 HIS 3 1HB HIS 3 -26.917 -17.689 -7.260 13 HD1 HIS 3 HD1 HIS 3 -27.330 -15.352 -7.968 14 HD2 HIS 3 HD2 HIS 3 -25.099 -15.543 -4.461 15 HE1 HIS 3 HE1 HIS 3 -26.707 -12.979 -7.431 16 H MET 4 H MET 4 -25.595 -19.669 -4.482 17 HA MET 4 HA MET 4 -25.442 -18.569 -1.756 18 HB2 MET 4 2HB MET 4 -24.759 -21.329 -2.768 19 HB3 MET 4 1HB MET 4 -24.469 -20.779 -1.126 20 HG2 MET 4 2HG MET 4 -26.924 -20.356 -0.919 21 HG3 MET 4 1HG MET 4 -27.124 -21.130 -2.490 22 HE1 MET 4 3HE MET 4 -26.279 -21.474 1.216 23 HE2 MET 4 1HE MET 4 -24.752 -22.129 0.625 24 HE3 MET 4 2HE MET 4 -25.905 -23.184 1.439 25 H LYS 5 H LYS 5 -23.423 -18.246 -0.802 26 HA LYS 5 HA LYS 5 -21.078 -18.408 -2.549 27 HB2 LYS 5 2HB LYS 5 -21.975 -15.957 -1.026 28 HB3 LYS 5 1HB LYS 5 -20.362 -16.152 -1.697 29 HG2 LYS 5 2HG LYS 5 -21.442 -16.435 -3.944 30 HG3 LYS 5 1HG LYS 5 -22.965 -15.966 -3.186 31 HD2 LYS 5 2HD LYS 5 -22.043 -13.826 -2.565 32 HD3 LYS 5 1HD LYS 5 -20.454 -14.294 -3.172 33 HE2 LYS 5 2HE LYS 5 -21.519 -14.575 -5.428 34 HE3 LYS 5 1HE LYS 5 -22.978 -13.856 -4.750 35 HZ1 LYS 5 3HZ LYS 5 -21.596 -12.229 -5.906 36 HZ2 LYS 5 1HZ LYS 5 -20.314 -12.543 -4.849 37 HZ3 LYS 5 2HZ LYS 5 -21.746 -11.854 -4.266 38 H THR 6 H THR 6 -19.102 -18.604 -1.449 39 HA THR 6 HA THR 6 -19.388 -19.386 1.370 40 HB THR 6 HB THR 6 -16.870 -20.096 0.051 41 HG1 THR 6 HG1 THR 6 -18.291 -21.925 -0.990 42 HG21 THR 6 3HG2 THR 6 -18.990 -21.757 1.414 43 HG22 THR 6 1HG2 THR 6 -17.628 -20.980 2.224 44 HG23 THR 6 2HG2 THR 6 -17.343 -22.264 1.048 45 H LYS 7 H LYS 7 -16.875 -19.228 2.313 46 HA LYS 7 HA LYS 7 -16.444 -16.389 2.512 47 HB2 LYS 7 2HB LYS 7 -14.770 -16.942 4.192 48 HB3 LYS 7 1HB LYS 7 -16.248 -17.843 4.497 49 HG2 LYS 7 2HG LYS 7 -15.291 -19.863 3.747 50 HG3 LYS 7 1HG LYS 7 -13.928 -19.028 2.998 51 HD2 LYS 7 2HD LYS 7 -13.158 -18.333 5.232 52 HD3 LYS 7 1HD LYS 7 -14.502 -19.213 5.959 53 HE2 LYS 7 2HE LYS 7 -13.644 -21.305 5.192 54 HE3 LYS 7 1HE LYS 7 -12.435 -20.502 4.195 55 HZ1 LYS 7 3HZ LYS 7 -11.227 -19.849 6.072 56 HZ2 LYS 7 1HZ LYS 7 -11.649 -21.460 6.368 57 HZ3 LYS 7 2HZ LYS 7 -12.489 -20.212 7.135 58 H LYS 8 H LYS 8 -14.221 -15.476 2.280 59 HA LYS 8 HA LYS 8 -12.928 -16.658 -0.081 60 HB2 LYS 8 2HB LYS 8 -13.461 -13.825 0.707 61 HB3 LYS 8 1HB LYS 8 -12.039 -14.176 -0.268 62 HG2 LYS 8 2HG LYS 8 -13.616 -13.708 -1.893 63 HG3 LYS 8 1HG LYS 8 -13.743 -15.464 -1.780 64 HD2 LYS 8 2HD LYS 8 -15.569 -14.934 0.007 65 HD3 LYS 8 1HD LYS 8 -15.621 -13.362 -0.789 66 HE2 LYS 8 2HE LYS 8 -16.231 -16.066 -1.927 67 HE3 LYS 8 1HE LYS 8 -17.267 -14.642 -1.861 68 HZ1 LYS 8 3HZ LYS 8 -15.503 -13.606 -3.381 69 HZ2 LYS 8 1HZ LYS 8 -16.569 -14.732 -4.055 70 HZ3 LYS 8 2HZ LYS 8 -14.990 -15.193 -3.660 71 H GLN 9 H GLN 9 -10.646 -16.485 -0.257 72 HA GLN 9 HA GLN 9 -9.316 -16.524 2.361 73 HB2 GLN 9 2HB GLN 9 -8.309 -17.609 -0.279 74 HB3 GLN 9 1HB GLN 9 -7.574 -17.845 1.299 75 HG2 GLN 9 2HG GLN 9 -8.651 -19.849 0.957 76 HG3 GLN 9 1HG GLN 9 -9.832 -18.956 1.914 77 HE21 GLN 9 1HE2 GLN 9 -11.557 -20.198 1.124 78 HE22 GLN 9 2HE2 GLN 9 -12.151 -20.011 -0.486 79 H GLN 10 H GLN 10 -8.832 -15.452 -0.975 80 HA GLN 10 HA GLN 10 -7.096 -13.296 0.030 81 HB2 GLN 10 2HB GLN 10 -7.029 -14.679 -2.663 82 HB3 GLN 10 1HB GLN 10 -6.002 -13.334 -2.182 83 HG2 GLN 10 2HG GLN 10 -4.646 -14.631 -0.946 84 HG3 GLN 10 1HG GLN 10 -5.960 -15.671 -0.398 85 HE21 GLN 10 1HE2 GLN 10 -3.605 -15.085 -2.879 86 HE22 GLN 10 2HE2 GLN 10 -3.761 -16.621 -3.667 87 H TYR 11 H TYR 11 -8.449 -11.617 0.181 88 HA TYR 11 HA TYR 11 -10.066 -10.955 -2.185 89 HB2 TYR 11 2HB TYR 11 -11.616 -9.793 -0.534 90 HB3 TYR 11 1HB TYR 11 -11.640 -11.552 -0.517 91 HD1 TYR 11 HD1 TYR 11 -10.617 -8.542 1.318 92 HD2 TYR 11 HD2 TYR 11 -10.845 -12.788 1.411 93 HE1 TYR 11 HE1 TYR 11 -10.163 -8.510 3.732 94 HE2 TYR 11 HE2 TYR 11 -10.391 -12.764 3.826 95 HH TYR 11 HH TYR 11 -10.350 -9.805 5.661 96 H VAL 12 H VAL 12 -10.546 -8.633 -2.388 97 HA VAL 12 HA VAL 12 -8.555 -6.874 -1.181 98 HB VAL 12 HB VAL 12 -7.598 -7.647 -3.320 99 HG11 VAL 12 1HG1 VAL 12 -9.684 -8.078 -4.519 100 HG12 VAL 12 2HG1 VAL 12 -8.613 -7.027 -5.448 101 HG13 VAL 12 3HG1 VAL 12 -9.999 -6.344 -4.598 102 HG21 VAL 12 3HG2 VAL 12 -7.128 -5.427 -4.287 103 HG22 VAL 12 1HG2 VAL 12 -7.015 -5.433 -2.527 104 HG23 VAL 12 2HG2 VAL 12 -8.436 -4.750 -3.317 105 H THR 13 H THR 13 -9.209 -4.760 -0.976 106 HA THR 13 HA THR 13 -11.800 -4.008 -2.099 107 HB THR 13 HB THR 13 -12.262 -4.808 0.188 108 HG1 THR 13 HG1 THR 13 -13.710 -3.282 -0.048 109 HG21 THR 13 3HG2 THR 13 -10.108 -4.356 1.229 110 HG22 THR 13 1HG2 THR 13 -11.404 -3.563 2.130 111 HG23 THR 13 2HG2 THR 13 -10.371 -2.619 1.059 112 H ILE 14 H ILE 14 -11.860 -1.934 -2.810 113 HA ILE 14 HA ILE 14 -9.666 -0.143 -2.023 114 HB ILE 14 HB ILE 14 -10.645 -0.445 -4.871 115 HG12 ILE 14 2HG1 ILE 14 -7.934 -1.231 -3.777 116 HG13 ILE 14 1HG1 ILE 14 -9.255 -2.379 -3.976 117 HG21 ILE 14 1HG2 ILE 14 -8.824 1.058 -5.440 118 HG22 ILE 14 2HG2 ILE 14 -8.347 1.157 -3.744 119 HG23 ILE 14 3HG2 ILE 14 -9.898 1.819 -4.264 120 HD11 ILE 14 3HD1 ILE 14 -7.956 -0.778 -6.169 121 HD12 ILE 14 1HD1 ILE 14 -9.285 -1.917 -6.377 122 HD13 ILE 14 2HD1 ILE 14 -7.707 -2.492 -5.838 123 H LYS 15 H LYS 15 -10.839 1.240 -0.815 124 HA LYS 15 HA LYS 15 -13.358 2.283 -1.856 125 HB2 LYS 15 2HB LYS 15 -13.539 1.691 0.414 126 HB3 LYS 15 1HB LYS 15 -11.979 2.392 0.815 127 HG2 LYS 15 2HG LYS 15 -13.626 3.816 1.756 128 HG3 LYS 15 1HG LYS 15 -12.993 4.652 0.338 129 HD2 LYS 15 2HD LYS 15 -14.924 4.096 -0.947 130 HD3 LYS 15 1HD LYS 15 -15.511 2.995 0.306 131 HE2 LYS 15 2HE LYS 15 -15.087 5.933 0.825 132 HE3 LYS 15 1HE LYS 15 -16.612 5.307 0.193 133 HZ1 LYS 15 3HZ LYS 15 -16.673 5.526 2.589 134 HZ2 LYS 15 1HZ LYS 15 -15.328 4.516 2.750 135 HZ3 LYS 15 2HZ LYS 15 -16.785 3.897 2.153 136 H GLY 16 H GLY 16 -12.897 3.697 -3.434 137 HA2 GLY 16 2HA GLY 16 -11.340 6.073 -2.659 138 HA3 GLY 16 1HA GLY 16 -11.083 5.302 -4.220 139 H THR 17 H THR 17 -13.280 7.160 -2.260 140 HA THR 17 HA THR 17 -14.318 8.607 -4.420 141 HB THR 17 HB THR 17 -15.584 6.705 -5.094 142 HG1 THR 17 HG1 THR 17 -17.196 8.499 -3.573 143 HG21 THR 17 3HG2 THR 17 -15.408 5.367 -3.057 144 HG22 THR 17 1HG2 THR 17 -17.083 5.466 -3.602 145 HG23 THR 17 2HG2 THR 17 -16.540 6.444 -2.239 146 H LYS 18 H LYS 18 -14.445 10.484 -3.424 147 HA LYS 18 HA LYS 18 -14.936 12.118 -1.934 148 HB2 LYS 18 2HB LYS 18 -17.110 10.146 -1.303 149 HB3 LYS 18 1HB LYS 18 -16.963 11.653 -0.410 150 HG2 LYS 18 2HG LYS 18 -17.342 11.401 -3.392 151 HG3 LYS 18 1HG LYS 18 -18.591 11.825 -2.219 152 HD2 LYS 18 2HD LYS 18 -16.074 13.417 -2.706 153 HD3 LYS 18 1HD LYS 18 -17.652 13.793 -3.395 154 HE2 LYS 18 2HE LYS 18 -18.344 14.764 -1.511 155 HE3 LYS 18 1HE LYS 18 -17.774 13.422 -0.523 156 HZ1 LYS 18 3HZ LYS 18 -15.867 14.468 -0.034 157 HZ2 LYS 18 1HZ LYS 18 -16.722 15.869 -0.456 158 HZ3 LYS 18 2HZ LYS 18 -15.698 15.137 -1.583 159 H ASN 19 H ASN 19 -12.880 10.448 -1.326 160 HA ASN 19 HA ASN 19 -12.540 10.950 1.464 161 HB2 ASN 19 2HB ASN 19 -12.219 8.692 2.225 162 HB3 ASN 19 1HB ASN 19 -13.765 8.728 1.396 163 HD21 ASN 19 1HD2 ASN 19 -11.656 6.586 1.922 164 HD22 ASN 19 2HD2 ASN 19 -11.439 5.849 0.374 165 H GLY 20 H GLY 20 -10.246 9.121 1.662 166 HA2 GLY 20 2HA GLY 20 -8.494 10.561 -0.191 167 HA3 GLY 20 1HA GLY 20 -7.992 9.772 1.300 168 H LEU 21 H LEU 21 -7.787 7.529 1.360 169 HA LEU 21 HA LEU 21 -8.198 5.908 -0.955 170 HB2 LEU 21 2HB LEU 21 -6.191 6.878 -1.765 171 HB3 LEU 21 1HB LEU 21 -5.419 6.775 -0.198 172 HG LEU 21 HG LEU 21 -5.544 4.240 -0.465 173 HD11 LEU 21 1HD1 LEU 21 -7.182 4.167 -2.251 174 HD12 LEU 21 2HD1 LEU 21 -5.670 3.418 -2.765 175 HD13 LEU 21 3HD1 LEU 21 -6.083 5.041 -3.318 176 HD21 LEU 21 3HD2 LEU 21 -3.822 5.848 -2.345 177 HD22 LEU 21 1HD2 LEU 21 -3.529 4.178 -1.859 178 HD23 LEU 21 2HD2 LEU 21 -3.465 5.470 -0.659 179 H THR 22 H THR 22 -9.289 4.516 0.356 180 HA THR 22 HA THR 22 -7.734 3.284 2.535 181 HB THR 22 HB THR 22 -10.680 2.913 2.486 182 HG1 THR 22 HG1 THR 22 -9.399 5.412 2.879 183 HG21 THR 22 3HG2 THR 22 -9.252 1.968 4.252 184 HG22 THR 22 1HG2 THR 22 -10.403 3.138 4.900 185 HG23 THR 22 2HG2 THR 22 -8.715 3.595 4.675 186 H LEU 23 H LEU 23 -6.780 1.604 1.472 187 HA LEU 23 HA LEU 23 -8.605 -0.347 0.242 188 HB2 LEU 23 2HB LEU 23 -7.186 -0.733 -1.577 189 HB3 LEU 23 1HB LEU 23 -7.231 1.010 -1.423 190 HG LEU 23 HG LEU 23 -4.983 -0.718 -0.384 191 HD11 LEU 23 1HD1 LEU 23 -5.097 0.934 -2.900 192 HD12 LEU 23 2HD1 LEU 23 -5.181 -0.826 -2.832 193 HD13 LEU 23 3HD1 LEU 23 -3.718 0.009 -2.307 194 HD21 LEU 23 3HD2 LEU 23 -5.128 1.382 0.793 195 HD22 LEU 23 1HD2 LEU 23 -5.247 2.266 -0.729 196 HD23 LEU 23 2HD2 LEU 23 -3.754 1.427 -0.313 197 H HIS 24 H HIS 24 -7.968 -2.531 0.374 198 HA HIS 24 HA HIS 24 -5.690 -3.193 2.059 199 HB2 HIS 24 2HB HIS 24 -7.221 -3.012 3.826 200 HB3 HIS 24 1HB HIS 24 -8.559 -3.612 2.856 201 HD1 HIS 24 HD1 HIS 24 -9.303 -5.829 3.655 202 HD2 HIS 24 HD2 HIS 24 -5.193 -5.352 4.106 203 HE1 HIS 24 HE1 HIS 24 -8.477 -7.975 4.668 204 H LEU 25 H LEU 25 -4.685 -4.857 1.183 205 HA LEU 25 HA LEU 25 -6.251 -6.783 -0.405 206 HB2 LEU 25 2HB LEU 25 -4.733 -5.600 -1.854 207 HB3 LEU 25 1HB LEU 25 -3.403 -5.831 -0.738 208 HG LEU 25 HG LEU 25 -3.492 -8.271 -1.188 209 HD11 LEU 25 1HD1 LEU 25 -4.756 -9.069 -3.132 210 HD12 LEU 25 2HD1 LEU 25 -5.505 -7.482 -3.291 211 HD13 LEU 25 3HD1 LEU 25 -5.819 -8.465 -1.861 212 HD21 LEU 25 3HD2 LEU 25 -2.463 -8.160 -3.377 213 HD22 LEU 25 1HD2 LEU 25 -1.951 -6.789 -2.393 214 HD23 LEU 25 2HD2 LEU 25 -3.166 -6.566 -3.651 215 H ASP 26 H ASP 26 -6.051 -8.918 0.143 216 HA ASP 26 HA ASP 26 -4.132 -9.531 2.289 217 HB2 ASP 26 2HB ASP 26 -6.846 -9.475 2.612 218 HB3 ASP 26 1HB ASP 26 -6.567 -11.173 2.232 219 H ASP 27 H ASP 27 -2.849 -10.081 0.344 220 HA ASP 27 HA ASP 27 -3.358 -12.869 -0.441 221 HB2 ASP 27 2HB ASP 27 -3.629 -10.859 -2.217 222 HB3 ASP 27 1HB ASP 27 -1.895 -11.136 -2.357 223 H ALA 28 H ALA 28 -1.168 -13.715 -1.506 224 HA ALA 28 HA ALA 28 1.189 -12.627 -0.205 225 HB1 ALA 28 1HB ALA 28 0.468 -13.955 1.605 226 HB2 ALA 28 2HB ALA 28 1.745 -14.876 0.808 227 HB3 ALA 28 3HB ALA 28 0.053 -15.308 0.553 228 H CYS 29 H CYS 29 3.045 -13.170 -1.241 229 HA CYS 29 HA CYS 29 4.440 -13.869 -2.881 230 HB2 CYS 29 2HB CYS 29 3.501 -16.136 -1.918 231 HB3 CYS 29 1HB CYS 29 2.730 -16.242 -3.495 232 HG CYS 29 HG CYS 29 4.890 -16.678 -4.939 233 H SER 30 H SER 30 1.715 -12.477 -3.477 234 HA SER 30 HA SER 30 1.601 -13.047 -6.351 235 HB2 SER 30 2HB SER 30 -0.413 -12.635 -4.465 236 HB3 SER 30 1HB SER 30 -0.345 -11.115 -5.357 237 HG SER 30 HG SER 30 -0.974 -13.694 -6.251 238 H PHE 31 H PHE 31 0.776 -10.723 -7.435 239 HA PHE 31 HA PHE 31 2.872 -8.799 -6.686 240 HB2 PHE 31 2HB PHE 31 3.030 -10.140 -8.964 241 HB3 PHE 31 1HB PHE 31 1.875 -8.926 -9.504 242 HD1 PHE 31 HD1 PHE 31 2.505 -6.534 -9.488 243 HD2 PHE 31 HD2 PHE 31 5.310 -9.610 -8.620 244 HE1 PHE 31 HE1 PHE 31 4.351 -4.953 -9.881 245 HE2 PHE 31 HE2 PHE 31 7.162 -8.041 -9.009 246 HZ PHE 31 HZ PHE 31 6.682 -5.708 -9.639 247 H ASP 32 H ASP 32 2.058 -6.971 -5.966 248 HA ASP 32 HA ASP 32 -0.695 -6.298 -6.155 249 HB2 ASP 32 2HB ASP 32 1.554 -4.501 -5.246 250 HB3 ASP 32 1HB ASP 32 -0.139 -4.422 -4.780 251 H GLU 33 H GLU 33 0.452 -6.407 -8.794 252 HA GLU 33 HA GLU 33 1.106 -3.851 -9.773 253 HB2 GLU 33 2HB GLU 33 0.527 -4.750 -12.020 254 HB3 GLU 33 1HB GLU 33 1.642 -5.761 -11.119 255 HG2 GLU 33 2HG GLU 33 -0.081 -7.351 -10.645 256 HG3 GLU 33 1HG GLU 33 -1.317 -6.282 -11.305 257 H LEU 34 H LEU 34 -2.006 -5.532 -9.565 258 HA LEU 34 HA LEU 34 -3.488 -3.431 -10.794 259 HB2 LEU 34 2HB LEU 34 -4.117 -5.973 -9.433 260 HB3 LEU 34 1HB LEU 34 -5.341 -4.734 -9.269 261 HG LEU 34 HG LEU 34 -5.793 -6.264 -11.142 262 HD11 LEU 34 1HD1 LEU 34 -5.145 -3.522 -12.190 263 HD12 LEU 34 2HD1 LEU 34 -6.524 -3.863 -11.146 264 HD13 LEU 34 3HD1 LEU 34 -6.409 -4.626 -12.732 265 HD21 LEU 34 3HD2 LEU 34 -4.405 -6.138 -13.164 266 HD22 LEU 34 1HD2 LEU 34 -3.532 -6.815 -11.788 267 HD23 LEU 34 2HD2 LEU 34 -3.241 -5.147 -12.284 268 H LEU 35 H LEU 35 -2.524 -4.163 -7.523 269 HA LEU 35 HA LEU 35 -4.294 -2.336 -6.238 270 HB2 LEU 35 2HB LEU 35 -2.945 -4.353 -5.269 271 HB3 LEU 35 1HB LEU 35 -1.662 -3.171 -5.086 272 HG LEU 35 HG LEU 35 -3.385 -1.773 -3.795 273 HD11 LEU 35 1HD1 LEU 35 -5.100 -3.183 -2.655 274 HD12 LEU 35 2HD1 LEU 35 -4.740 -4.465 -3.811 275 HD13 LEU 35 3HD1 LEU 35 -5.395 -2.925 -4.373 276 HD21 LEU 35 3HD2 LEU 35 -1.481 -2.837 -2.737 277 HD22 LEU 35 1HD2 LEU 35 -2.349 -4.369 -2.665 278 HD23 LEU 35 2HD2 LEU 35 -2.909 -2.994 -1.716 279 H ASP 36 H ASP 36 -0.847 -2.236 -7.088 280 HA ASP 36 HA ASP 36 -0.274 0.338 -6.171 281 HB2 ASP 36 2HB ASP 36 1.554 -1.074 -6.757 282 HB3 ASP 36 1HB ASP 36 0.933 -1.318 -8.387 283 H GLY 37 H GLY 37 -1.554 -0.761 -9.270 284 HA2 GLY 37 2HA GLY 37 -1.431 1.629 -10.692 285 HA3 GLY 37 1HA GLY 37 -2.631 0.373 -10.950 286 H LEU 38 H LEU 38 -4.077 0.421 -8.647 287 HA LEU 38 HA LEU 38 -5.668 2.769 -9.011 288 HB2 LEU 38 2HB LEU 38 -5.876 0.263 -7.490 289 HB3 LEU 38 1HB LEU 38 -6.606 1.639 -6.691 290 HG LEU 38 HG LEU 38 -8.259 0.413 -7.993 291 HD11 LEU 38 1HD1 LEU 38 -9.224 2.241 -9.182 292 HD12 LEU 38 2HD1 LEU 38 -7.657 3.034 -9.340 293 HD13 LEU 38 3HD1 LEU 38 -8.415 2.884 -7.754 294 HD21 LEU 38 3HD2 LEU 38 -6.874 -0.573 -9.689 295 HD22 LEU 38 1HD2 LEU 38 -6.459 1.015 -10.331 296 HD23 LEU 38 2HD2 LEU 38 -8.110 0.412 -10.472 297 H GLN 39 H GLN 39 -3.412 1.644 -6.562 298 HA GLN 39 HA GLN 39 -3.862 3.564 -4.591 299 HB2 GLN 39 2HB GLN 39 -2.520 1.586 -4.182 300 HB3 GLN 39 1HB GLN 39 -1.317 2.116 -5.346 301 HG2 GLN 39 2HG GLN 39 -1.893 3.955 -3.106 302 HG3 GLN 39 1HG GLN 39 -1.071 2.450 -2.704 303 HE21 GLN 39 1HE2 GLN 39 0.378 2.236 -5.180 304 HE22 GLN 39 2HE2 GLN 39 1.604 3.448 -5.148 305 H ASN 40 H ASN 40 -1.394 3.594 -7.161 306 HA ASN 40 HA ASN 40 -0.478 6.211 -6.537 307 HB2 ASN 40 2HB ASN 40 0.535 4.191 -8.025 308 HB3 ASN 40 1HB ASN 40 -0.096 5.220 -9.304 309 HD21 ASN 40 1HD2 ASN 40 0.346 7.727 -8.164 310 HD22 ASN 40 2HD2 ASN 40 2.055 7.984 -8.046 311 H MET 41 H MET 41 -3.098 5.021 -8.455 312 HA MET 41 HA MET 41 -3.425 7.375 -10.052 313 HB2 MET 41 2HB MET 41 -4.283 5.276 -10.878 314 HB3 MET 41 1HB MET 41 -5.290 5.074 -9.453 315 HG2 MET 41 2HG MET 41 -6.497 7.170 -10.142 316 HG3 MET 41 1HG MET 41 -5.615 7.079 -11.665 317 HE1 MET 41 3HE MET 41 -9.258 5.946 -12.619 318 HE2 MET 41 1HE MET 41 -7.952 7.073 -12.982 319 HE3 MET 41 2HE MET 41 -8.797 7.168 -11.434 320 H LEU 42 H LEU 42 -5.321 6.016 -7.353 321 HA LEU 42 HA LEU 42 -7.089 8.169 -7.107 322 HB2 LEU 42 2HB LEU 42 -6.205 6.052 -5.174 323 HB3 LEU 42 1HB LEU 42 -7.399 7.261 -4.740 324 HG LEU 42 HG LEU 42 -7.690 5.381 -7.086 325 HD11 LEU 42 1HD1 LEU 42 -7.650 4.074 -5.057 326 HD12 LEU 42 2HD1 LEU 42 -9.305 4.176 -5.659 327 HD13 LEU 42 3HD1 LEU 42 -8.800 5.167 -4.289 328 HD21 LEU 42 3HD2 LEU 42 -9.009 7.360 -7.369 329 HD22 LEU 42 1HD2 LEU 42 -9.588 7.278 -5.706 330 HD23 LEU 42 2HD2 LEU 42 -10.086 6.056 -6.875 331 H SER 43 H SER 43 -3.965 7.621 -5.545 332 HA SER 43 HA SER 43 -4.119 9.667 -3.647 333 HB2 SER 43 2HB SER 43 -1.647 8.624 -5.044 334 HB3 SER 43 1HB SER 43 -1.687 9.503 -3.515 335 HG SER 43 HG SER 43 -2.409 6.865 -4.082 336 H ILE 44 H ILE 44 -3.527 9.867 -7.074 337 HA ILE 44 HA ILE 44 -2.759 12.694 -6.777 338 HB ILE 44 HB ILE 44 -2.544 11.001 -9.274 339 HG12 ILE 44 2HG1 ILE 44 -0.387 11.717 -7.275 340 HG13 ILE 44 1HG1 ILE 44 -1.112 10.121 -7.452 341 HG21 ILE 44 1HG2 ILE 44 -1.369 13.680 -8.544 342 HG22 ILE 44 2HG2 ILE 44 -2.650 13.385 -9.717 343 HG23 ILE 44 3HG2 ILE 44 -1.017 12.787 -10.025 344 HD11 ILE 44 3HD1 ILE 44 -0.224 9.964 -9.715 345 HD12 ILE 44 1HD1 ILE 44 1.061 10.240 -8.540 346 HD13 ILE 44 2HD1 ILE 44 0.492 11.568 -9.551 347 H GLU 45 H GLU 45 -5.264 10.595 -7.790 348 HA GLU 45 HA GLU 45 -6.566 12.509 -9.512 349 HB2 GLU 45 2HB GLU 45 -6.632 10.005 -9.829 350 HB3 GLU 45 1HB GLU 45 -7.693 9.928 -8.431 351 HG2 GLU 45 2HG GLU 45 -8.901 9.863 -10.565 352 HG3 GLU 45 1HG GLU 45 -9.357 11.234 -9.557 353 H GLN 46 H GLN 46 -7.167 11.112 -6.293 354 HA GLN 46 HA GLN 46 -8.607 13.504 -5.528 355 HB2 GLN 46 2HB GLN 46 -10.450 12.345 -6.477 356 HB3 GLN 46 1HB GLN 46 -9.952 10.815 -5.769 357 HG2 GLN 46 2HG GLN 46 -10.309 12.327 -3.538 358 HG3 GLN 46 1HG GLN 46 -11.538 13.002 -4.609 359 HE21 GLN 46 1HE2 GLN 46 -10.355 10.091 -3.085 360 HE22 GLN 46 2HE2 GLN 46 -11.835 9.203 -3.181 361 H TYR 47 H TYR 47 -7.135 13.841 -3.908 362 HA TYR 47 HA TYR 47 -7.110 11.812 -1.767 363 HB2 TYR 47 2HB TYR 47 -4.862 12.479 -1.179 364 HB3 TYR 47 1HB TYR 47 -4.900 12.082 -2.893 365 HD1 TYR 47 HD1 TYR 47 -4.944 13.983 -4.568 366 HD2 TYR 47 HD2 TYR 47 -4.155 14.594 -0.434 367 HE1 TYR 47 HE1 TYR 47 -3.931 16.162 -5.095 368 HE2 TYR 47 HE2 TYR 47 -3.144 16.778 -0.944 369 HH TYR 47 HH TYR 47 -3.511 18.330 -3.912 370 H THR 48 H THR 48 -8.586 14.501 -2.506 371 HA THR 48 HA THR 48 -8.411 15.613 0.211 372 HB THR 48 HB THR 48 -9.127 17.335 -2.144 373 HG1 THR 48 HG1 THR 48 -6.538 16.551 -1.270 374 HG21 THR 48 3HG2 THR 48 -8.249 19.109 -0.674 375 HG22 THR 48 1HG2 THR 48 -7.877 17.897 0.552 376 HG23 THR 48 2HG2 THR 48 -9.552 18.205 0.097 377 H ASP 49 H ASP 49 -10.270 15.326 1.248 378 HA ASP 49 HA ASP 49 -12.725 15.069 -0.332 379 HB2 ASP 49 2HB ASP 49 -12.527 13.129 0.951 380 HB3 ASP 49 1HB ASP 49 -11.888 13.998 2.344 381 H GLY 50 H GLY 50 -11.741 16.341 2.877 382 HA2 GLY 50 2HA GLY 50 -12.142 18.805 3.140 383 HA3 GLY 50 1HA GLY 50 -13.730 18.493 2.455 384 H LYS 51 H LYS 51 -13.966 15.937 3.960 385 HA LYS 51 HA LYS 51 -14.678 17.140 6.547 386 HB2 LYS 51 2HB LYS 51 -15.646 14.470 5.549 387 HB3 LYS 51 1HB LYS 51 -16.365 15.505 6.774 388 HG2 LYS 51 2HG LYS 51 -16.202 16.254 3.870 389 HG3 LYS 51 1HG LYS 51 -17.578 15.415 4.584 390 HD2 LYS 51 2HD LYS 51 -18.293 17.259 5.707 391 HD3 LYS 51 1HD LYS 51 -16.660 17.886 5.936 392 HE2 LYS 51 2HE LYS 51 -17.948 19.312 4.445 393 HE3 LYS 51 1HE LYS 51 -16.593 18.578 3.596 394 HZ1 LYS 51 3HZ LYS 51 -18.033 17.051 2.539 395 HZ2 LYS 51 1HZ LYS 51 -18.735 18.579 2.353 396 HZ3 LYS 51 2HZ LYS 51 -19.347 17.494 3.500 397 H GLY 52 H GLY 52 -12.826 14.651 5.000 398 HA2 GLY 52 2HA GLY 52 -10.865 14.342 6.831 399 HA3 GLY 52 1HA GLY 52 -12.137 13.309 7.465 400 H GLN 53 H GLN 53 -10.065 13.889 4.675 401 HA GLN 53 HA GLN 53 -10.768 11.543 3.276 402 HB2 GLN 53 2HB GLN 53 -8.457 11.921 2.158 403 HB3 GLN 53 1HB GLN 53 -9.726 13.111 1.921 404 HG2 GLN 53 2HG GLN 53 -7.918 13.577 4.199 405 HG3 GLN 53 1HG GLN 53 -7.208 13.727 2.594 406 HE21 GLN 53 1HE2 GLN 53 -6.941 15.913 2.619 407 HE22 GLN 53 2HE2 GLN 53 -8.251 17.042 2.666 408 H LYS 54 H LYS 54 -10.548 9.569 4.057 409 HA LYS 54 HA LYS 54 -8.475 8.894 5.942 410 HB2 LYS 54 2HB LYS 54 -10.877 8.090 6.041 411 HB3 LYS 54 1HB LYS 54 -10.500 7.049 4.677 412 HG2 LYS 54 2HG LYS 54 -8.725 5.982 6.043 413 HG3 LYS 54 1HG LYS 54 -9.248 6.961 7.414 414 HD2 LYS 54 2HD LYS 54 -11.162 5.192 5.923 415 HD3 LYS 54 1HD LYS 54 -10.154 4.567 7.229 416 HE2 LYS 54 2HE LYS 54 -12.037 6.906 7.499 417 HE3 LYS 54 1HE LYS 54 -12.436 5.251 7.940 418 HZ1 LYS 54 3HZ LYS 54 -10.313 6.936 9.148 419 HZ2 LYS 54 1HZ LYS 54 -10.563 5.304 9.516 420 HZ3 LYS 54 2HZ LYS 54 -11.754 6.445 9.880 421 H ILE 55 H ILE 55 -6.488 8.415 5.223 422 HA ILE 55 HA ILE 55 -6.225 6.906 2.699 423 HB ILE 55 HB ILE 55 -4.089 8.649 3.941 424 HG12 ILE 55 2HG1 ILE 55 -5.760 9.372 1.542 425 HG13 ILE 55 1HG1 ILE 55 -6.207 9.870 3.171 426 HG21 ILE 55 1HG2 ILE 55 -3.427 6.781 2.388 427 HG22 ILE 55 2HG2 ILE 55 -2.924 8.394 1.882 428 HG23 ILE 55 3HG2 ILE 55 -4.312 7.625 1.116 429 HD11 ILE 55 3HD1 ILE 55 -5.062 11.673 2.128 430 HD12 ILE 55 1HD1 ILE 55 -3.727 10.623 1.645 431 HD13 ILE 55 2HD1 ILE 55 -3.989 10.992 3.348 432 H SER 56 H SER 56 -6.317 4.867 3.596 433 HA SER 56 HA SER 56 -4.121 4.201 5.436 434 HB2 SER 56 2HB SER 56 -6.777 2.762 5.328 435 HB3 SER 56 1HB SER 56 -5.511 2.606 6.548 436 HG SER 56 HG SER 56 -6.095 5.127 6.535 437 H VAL 57 H VAL 57 -2.645 3.048 4.430 438 HA VAL 57 HA VAL 57 -3.456 1.268 2.233 439 HB VAL 57 HB VAL 57 -0.673 2.263 2.872 440 HG11 VAL 57 1HG1 VAL 57 -1.785 0.911 0.418 441 HG12 VAL 57 2HG1 VAL 57 -0.742 0.163 1.625 442 HG13 VAL 57 3HG1 VAL 57 -0.128 1.480 0.626 443 HG21 VAL 57 3HG2 VAL 57 -2.664 3.295 0.851 444 HG22 VAL 57 1HG2 VAL 57 -0.965 3.766 0.931 445 HG23 VAL 57 2HG2 VAL 57 -2.052 4.155 2.264 446 H HIS 58 H HIS 58 -3.916 -0.656 3.152 447 HA HIS 58 HA HIS 58 -1.965 -1.752 5.066 448 HB2 HIS 58 2HB HIS 58 -4.916 -2.178 4.717 449 HB3 HIS 58 1HB HIS 58 -3.930 -3.393 5.523 450 HD1 HIS 58 HD1 HIS 58 -4.230 -3.157 7.961 451 HD2 HIS 58 HD2 HIS 58 -4.112 0.542 6.071 452 HE1 HIS 58 HE1 HIS 58 -4.400 -1.456 9.799 453 H VAL 59 H VAL 59 -0.512 -2.681 3.702 454 HA VAL 59 HA VAL 59 -1.486 -4.560 1.683 455 HB VAL 59 HB VAL 59 1.228 -4.662 1.439 456 HG11 VAL 59 1HG1 VAL 59 0.929 -3.172 -0.493 457 HG12 VAL 59 2HG1 VAL 59 -0.653 -2.701 0.128 458 HG13 VAL 59 3HG1 VAL 59 -0.362 -4.369 -0.372 459 HG21 VAL 59 3HG2 VAL 59 1.445 -2.870 3.172 460 HG22 VAL 59 1HG2 VAL 59 0.613 -1.775 2.069 461 HG23 VAL 59 2HG2 VAL 59 2.170 -2.471 1.617 462 H LYS 60 H LYS 60 -2.170 -6.211 3.000 463 HA LYS 60 HA LYS 60 -0.352 -7.424 4.907 464 HB2 LYS 60 2HB LYS 60 -3.182 -8.077 4.059 465 HB3 LYS 60 1HB LYS 60 -2.283 -9.030 5.229 466 HG2 LYS 60 2HG LYS 60 -2.592 -6.095 5.660 467 HG3 LYS 60 1HG LYS 60 -3.933 -7.182 6.031 468 HD2 LYS 60 2HD LYS 60 -2.280 -8.532 7.392 469 HD3 LYS 60 1HD LYS 60 -1.162 -7.178 7.203 470 HE2 LYS 60 2HE LYS 60 -2.590 -5.713 8.393 471 HE3 LYS 60 1HE LYS 60 -3.943 -6.842 8.301 472 HZ1 LYS 60 3HZ LYS 60 -1.448 -7.219 9.863 473 HZ2 LYS 60 1HZ LYS 60 -2.688 -8.362 9.722 474 HZ3 LYS 60 2HZ LYS 60 -2.983 -6.884 10.487 475 H LEU 61 H LEU 61 1.090 -7.723 2.886 476 HA LEU 61 HA LEU 61 0.406 -10.028 1.264 477 HB2 LEU 61 2HB LEU 61 2.895 -8.328 1.375 478 HB3 LEU 61 1HB LEU 61 2.601 -9.603 0.207 479 HG LEU 61 HG LEU 61 0.663 -7.338 0.453 480 HD11 LEU 61 1HD1 LEU 61 2.864 -6.298 0.258 481 HD12 LEU 61 2HD1 LEU 61 1.919 -6.097 -1.216 482 HD13 LEU 61 3HD1 LEU 61 3.210 -7.292 -1.156 483 HD21 LEU 61 3HD2 LEU 61 0.333 -7.848 -1.928 484 HD22 LEU 61 1HD2 LEU 61 0.037 -9.250 -0.897 485 HD23 LEU 61 2HD2 LEU 61 1.541 -9.127 -1.811 486 H GLY 62 H GLY 62 3.035 -9.164 3.492 487 HA2 GLY 62 2HA GLY 62 3.796 -10.596 5.231 488 HA3 GLY 62 1HA GLY 62 3.161 -11.965 4.334 489 H ASN 63 H ASN 63 4.608 -13.193 3.311 490 HA ASN 63 HA ASN 63 7.384 -12.454 3.310 491 HB2 ASN 63 2HB ASN 63 7.698 -14.736 2.332 492 HB3 ASN 63 1HB ASN 63 6.826 -14.721 3.862 493 HD21 ASN 63 1HD2 ASN 63 4.692 -15.367 3.917 494 HD22 ASN 63 2HD2 ASN 63 3.891 -16.079 2.559 495 H ARG 64 H ARG 64 5.635 -10.899 1.530 496 HA ARG 64 HA ARG 64 6.321 -11.739 -1.147 497 HB2 ARG 64 2HB ARG 64 4.248 -10.654 -1.047 498 HB3 ARG 64 1HB ARG 64 4.851 -9.391 0.013 499 HG2 ARG 64 2HG ARG 64 4.545 -8.330 -2.039 500 HG3 ARG 64 1HG ARG 64 6.277 -8.646 -1.973 501 HD2 ARG 64 2HD ARG 64 4.347 -10.508 -3.332 502 HD3 ARG 64 1HD ARG 64 5.084 -9.142 -4.165 503 HE ARG 64 HE ARG 64 7.202 -10.473 -3.085 504 HH11 ARG 64 1HH1 ARG 64 4.559 -11.339 -5.203 505 HH12 ARG 64 2HH1 ARG 64 5.441 -12.606 -6.001 506 HH21 ARG 64 1HH2 ARG 64 8.377 -12.127 -4.138 507 HH22 ARG 64 2HH2 ARG 64 7.624 -13.047 -5.402 508 H PHE 65 H PHE 65 7.447 -9.432 1.229 509 HA PHE 65 HA PHE 65 9.237 -8.042 1.341 510 HB2 PHE 65 2HB PHE 65 10.348 -10.044 -0.640 511 HB3 PHE 65 1HB PHE 65 11.308 -8.790 0.135 512 HD1 PHE 65 HD1 PHE 65 11.433 -8.790 2.673 513 HD2 PHE 65 HD2 PHE 65 10.007 -12.093 0.400 514 HE1 PHE 65 HE1 PHE 65 11.833 -10.272 4.590 515 HE2 PHE 65 HE2 PHE 65 10.407 -13.587 2.315 516 HZ PHE 65 HZ PHE 65 11.321 -12.677 4.415 517 H LEU 66 H LEU 66 7.270 -7.036 -0.121 518 HA LEU 66 HA LEU 66 7.902 -6.279 -2.762 519 HB2 LEU 66 2HB LEU 66 5.627 -6.219 -1.746 520 HB3 LEU 66 1HB LEU 66 6.135 -4.856 -0.768 521 HG LEU 66 HG LEU 66 6.557 -3.583 -2.889 522 HD11 LEU 66 1HD1 LEU 66 5.427 -4.432 -4.921 523 HD12 LEU 66 2HD1 LEU 66 5.195 -5.979 -4.106 524 HD13 LEU 66 3HD1 LEU 66 6.826 -5.394 -4.443 525 HD21 LEU 66 3HD2 LEU 66 4.216 -3.084 -3.282 526 HD22 LEU 66 1HD2 LEU 66 4.514 -3.297 -1.558 527 HD23 LEU 66 2HD2 LEU 66 3.743 -4.584 -2.486 528 H TYR 67 H TYR 67 8.813 -4.414 -3.568 529 HA TYR 67 HA TYR 67 10.762 -3.148 -1.885 530 HB2 TYR 67 2HB TYR 67 10.026 -2.455 -4.735 531 HB3 TYR 67 1HB TYR 67 11.509 -2.026 -3.893 532 HD1 TYR 67 HD1 TYR 67 13.219 -3.738 -3.440 533 HD2 TYR 67 HD2 TYR 67 9.722 -4.646 -5.682 534 HE1 TYR 67 HE1 TYR 67 14.286 -5.795 -4.265 535 HE2 TYR 67 HE2 TYR 67 10.778 -6.704 -6.509 536 HH TYR 67 HH TYR 67 12.979 -7.634 -6.838 537 H LYS 68 H LYS 68 9.053 -2.367 -0.417 538 HA LYS 68 HA LYS 68 7.127 -0.479 -0.998 539 HB2 LYS 68 2HB LYS 68 7.139 0.101 1.341 540 HB3 LYS 68 1HB LYS 68 7.374 -1.633 1.172 541 HG2 LYS 68 2HG LYS 68 9.317 -1.540 2.285 542 HG3 LYS 68 1HG LYS 68 9.911 -0.257 1.231 543 HD2 LYS 68 2HD LYS 68 8.643 1.392 2.554 544 HD3 LYS 68 1HD LYS 68 8.144 0.098 3.646 545 HE2 LYS 68 2HE LYS 68 10.468 -0.327 4.241 546 HE3 LYS 68 1HE LYS 68 11.004 0.898 3.091 547 HZ1 LYS 68 3HZ LYS 68 9.713 2.540 4.414 548 HZ2 LYS 68 1HZ LYS 68 11.013 1.848 5.250 549 HZ3 LYS 68 2HZ LYS 68 9.441 1.331 5.571 550 H GLU 69 H GLU 69 10.510 -0.045 -1.084 551 HA GLU 69 HA GLU 69 10.707 2.691 -0.456 552 HB2 GLU 69 2HB GLU 69 12.610 1.058 -0.698 553 HB3 GLU 69 1HB GLU 69 12.396 1.164 -2.440 554 HG2 GLU 69 2HG GLU 69 12.867 3.563 -2.344 555 HG3 GLU 69 1HG GLU 69 13.095 3.441 -0.601 556 H GLN 70 H GLN 70 9.598 0.967 -3.257 557 HA GLN 70 HA GLN 70 9.800 3.082 -5.148 558 HB2 GLN 70 2HB GLN 70 8.093 0.589 -5.061 559 HB3 GLN 70 1HB GLN 70 8.101 1.709 -6.421 560 HG2 GLN 70 2HG GLN 70 10.469 0.144 -5.394 561 HG3 GLN 70 1HG GLN 70 9.559 -0.188 -6.870 562 HE21 GLN 70 1HE2 GLN 70 9.725 1.279 -8.614 563 HE22 GLN 70 2HE2 GLN 70 11.086 2.334 -8.766 564 H GLU 71 H GLU 71 7.345 2.024 -2.886 565 HA GLU 71 HA GLU 71 5.439 3.997 -3.784 566 HB2 GLU 71 2HB GLU 71 5.425 2.144 -1.389 567 HB3 GLU 71 1HB GLU 71 4.094 3.200 -1.837 568 HG2 GLU 71 2HG GLU 71 3.552 1.039 -2.613 569 HG3 GLU 71 1HG GLU 71 3.992 1.990 -4.028 570 H GLU 72 H GLU 72 7.723 3.525 -1.183 571 HA GLU 72 HA GLU 72 6.967 5.656 0.476 572 HB2 GLU 72 2HB GLU 72 8.675 3.684 0.829 573 HB3 GLU 72 1HB GLU 72 9.845 4.856 0.235 574 HG2 GLU 72 2HG GLU 72 9.569 6.247 2.065 575 HG3 GLU 72 1HG GLU 72 7.991 5.565 2.472 576 H GLN 73 H GLN 73 9.260 5.551 -2.238 577 HA GLN 73 HA GLN 73 10.290 8.126 -1.935 578 HB2 GLN 73 2HB GLN 73 10.902 8.041 -4.326 579 HB3 GLN 73 1HB GLN 73 11.358 6.591 -3.454 580 HG2 GLN 73 2HG GLN 73 10.533 5.666 -5.349 581 HG3 GLN 73 1HG GLN 73 9.066 5.700 -4.376 582 HE21 GLN 73 1HE2 GLN 73 7.748 5.690 -6.201 583 HE22 GLN 73 2HE2 GLN 73 7.575 7.084 -7.218 584 H LEU 74 H LEU 74 7.278 7.118 -3.494 585 HA LEU 74 HA LEU 74 6.787 9.814 -4.422 586 HB2 LEU 74 2HB LEU 74 4.767 8.997 -5.395 587 HB3 LEU 74 1HB LEU 74 6.033 7.834 -5.726 588 HG LEU 74 HG LEU 74 4.893 6.835 -3.427 589 HD11 LEU 74 1HD1 LEU 74 3.081 8.471 -3.554 590 HD12 LEU 74 2HD1 LEU 74 2.489 6.828 -3.804 591 HD13 LEU 74 3HD1 LEU 74 2.692 7.913 -5.180 592 HD21 LEU 74 3HD2 LEU 74 3.960 5.133 -4.895 593 HD22 LEU 74 1HD2 LEU 74 5.588 5.579 -5.408 594 HD23 LEU 74 2HD2 LEU 74 4.185 6.195 -6.285 595 H THR 75 H THR 75 5.847 7.747 -1.767 596 HA THR 75 HA THR 75 3.734 9.340 -0.778 597 HB THR 75 HB THR 75 5.561 7.493 0.773 598 HG1 THR 75 HG1 THR 75 4.542 6.387 -0.931 599 HG21 THR 75 3HG2 THR 75 2.769 8.477 1.385 600 HG22 THR 75 1HG2 THR 75 4.245 8.957 2.225 601 HG23 THR 75 2HG2 THR 75 3.672 7.292 2.328 602 H GLU 76 H GLU 76 7.213 9.466 -0.423 603 HA GLU 76 HA GLU 76 7.475 11.116 1.796 604 HB2 GLU 76 2HB GLU 76 9.142 10.557 -0.603 605 HB3 GLU 76 1HB GLU 76 9.573 11.947 0.384 606 HG2 GLU 76 2HG GLU 76 9.272 9.133 1.412 607 HG3 GLU 76 1HG GLU 76 10.802 9.900 0.984 608 H LEU 77 H LEU 77 6.467 11.916 -1.450 609 HA LEU 77 HA LEU 77 6.961 14.700 -1.353 610 HB2 LEU 77 2HB LEU 77 5.233 12.913 -2.999 611 HB3 LEU 77 1HB LEU 77 4.916 14.634 -3.042 612 HG LEU 77 HG LEU 77 7.399 14.906 -3.635 613 HD11 LEU 77 1HD1 LEU 77 8.091 12.638 -3.031 614 HD12 LEU 77 2HD1 LEU 77 8.447 13.007 -4.720 615 HD13 LEU 77 3HD1 LEU 77 7.066 11.991 -4.310 616 HD21 LEU 77 3HD2 LEU 77 5.643 15.327 -5.224 617 HD22 LEU 77 1HD2 LEU 77 5.466 13.600 -5.537 618 HD23 LEU 77 2HD2 LEU 77 6.944 14.436 -6.017 619 H ILE 78 H ILE 78 4.264 12.695 -0.355 620 HA ILE 78 HA ILE 78 2.742 15.033 0.494 621 HB ILE 78 HB ILE 78 1.934 12.124 0.702 622 HG12 ILE 78 2HG1 ILE 78 0.445 13.144 -1.347 623 HG13 ILE 78 1HG1 ILE 78 1.978 13.962 -1.606 624 HG21 ILE 78 1HG2 ILE 78 -0.332 12.997 0.861 625 HG22 ILE 78 2HG2 ILE 78 0.278 14.646 0.724 626 HG23 ILE 78 3HG2 ILE 78 0.682 13.673 2.137 627 HD11 ILE 78 3HD1 ILE 78 1.698 11.848 -2.868 628 HD12 ILE 78 1HD1 ILE 78 1.696 10.988 -1.331 629 HD13 ILE 78 2HD1 ILE 78 3.124 11.888 -1.832 630 H ALA 79 H ALA 79 4.913 12.729 1.729 631 HA ALA 79 HA ALA 79 4.055 12.424 4.370 632 HB1 ALA 79 1HB ALA 79 5.807 11.052 3.359 633 HB2 ALA 79 2HB ALA 79 6.339 11.771 4.878 634 HB3 ALA 79 3HB ALA 79 6.886 12.447 3.346 635 H SER 80 H SER 80 5.838 15.015 2.830 636 HA SER 80 HA SER 80 6.676 16.321 5.199 637 HB2 SER 80 2HB SER 80 6.168 17.733 2.598 638 HB3 SER 80 1HB SER 80 7.445 18.024 3.782 639 HG SER 80 HG SER 80 8.402 16.065 3.163 640 H LYS 81 H LYS 81 3.631 15.965 3.813 641 HA LYS 81 HA LYS 81 2.544 18.049 5.551 642 HB2 LYS 81 2HB LYS 81 0.937 18.703 3.729 643 HB3 LYS 81 1HB LYS 81 2.605 19.170 3.430 644 HG2 LYS 81 2HG LYS 81 2.848 17.173 1.972 645 HG3 LYS 81 1HG LYS 81 1.130 16.845 2.201 646 HD2 LYS 81 2HD LYS 81 2.129 19.483 1.157 647 HD3 LYS 81 1HD LYS 81 1.818 18.115 0.090 648 HE2 LYS 81 2HE LYS 81 -0.244 19.027 -0.030 649 HE3 LYS 81 1HE LYS 81 -0.488 18.159 1.484 650 HZ1 LYS 81 3HZ LYS 81 -0.175 20.108 2.722 651 HZ2 LYS 81 1HZ LYS 81 -1.150 20.585 1.428 652 HZ3 LYS 81 2HZ LYS 81 0.499 20.949 1.420 653 H LYS 82 H LYS 82 2.691 15.272 5.921 654 HA LYS 82 HA LYS 82 0.237 14.014 5.149 655 HB2 LYS 82 2HB LYS 82 0.954 12.148 6.574 656 HB3 LYS 82 1HB LYS 82 2.207 12.651 5.455 657 HG2 LYS 82 2HG LYS 82 3.391 13.786 7.246 658 HG3 LYS 82 1HG LYS 82 2.089 13.401 8.374 659 HD2 LYS 82 2HD LYS 82 3.006 11.428 8.801 660 HD3 LYS 82 1HD LYS 82 2.981 11.005 7.084 661 HE2 LYS 82 2HE LYS 82 5.260 10.893 7.904 662 HE3 LYS 82 1HE LYS 82 5.109 12.253 6.791 663 HZ1 LYS 82 3HZ LYS 82 6.362 12.886 8.731 664 HZ2 LYS 82 1HZ LYS 82 5.102 12.415 9.754 665 HZ3 LYS 82 2HZ LYS 82 4.900 13.730 8.710 666 H ASP 83 H ASP 83 -0.631 16.221 6.232 667 HA ASP 83 HA ASP 83 -1.228 16.001 9.031 668 HB2 ASP 83 2HB ASP 83 -1.087 18.207 8.122 669 HB3 ASP 83 1HB ASP 83 -2.210 17.817 6.826 670 H LEU 84 H LEU 84 -2.597 14.907 6.088 671 HA LEU 84 HA LEU 84 -5.277 14.520 6.962 672 HB2 LEU 84 2HB LEU 84 -3.824 13.031 4.771 673 HB3 LEU 84 1HB LEU 84 -5.556 13.177 4.966 674 HG LEU 84 HG LEU 84 -5.231 14.685 3.294 675 HD11 LEU 84 1HD1 LEU 84 -6.135 15.844 5.340 676 HD12 LEU 84 2HD1 LEU 84 -5.452 16.882 4.089 677 HD13 LEU 84 3HD1 LEU 84 -4.527 16.532 5.550 678 HD21 LEU 84 3HD2 LEU 84 -2.803 14.338 3.186 679 HD22 LEU 84 1HD2 LEU 84 -2.593 15.513 4.486 680 HD23 LEU 84 2HD2 LEU 84 -3.257 16.023 2.934 681 H PHE 85 H PHE 85 -6.185 12.157 6.877 682 HA PHE 85 HA PHE 85 -4.778 10.706 8.935 683 HB2 PHE 85 2HB PHE 85 -7.330 9.919 7.516 684 HB3 PHE 85 1HB PHE 85 -6.740 9.306 9.057 685 HD1 PHE 85 HD1 PHE 85 -6.341 11.173 10.882 686 HD2 PHE 85 HD2 PHE 85 -8.936 11.550 7.538 687 HE1 PHE 85 HE1 PHE 85 -7.592 12.933 12.057 688 HE2 PHE 85 HE2 PHE 85 -10.194 13.312 8.708 689 HZ PHE 85 HZ PHE 85 -9.523 14.008 10.970 690 H VAL 86 H VAL 86 -2.929 10.408 7.422 691 HA VAL 86 HA VAL 86 -3.350 8.119 5.633 692 HB VAL 86 HB VAL 86 -2.467 9.966 4.407 693 HG11 VAL 86 1HG1 VAL 86 -0.267 10.125 6.459 694 HG12 VAL 86 2HG1 VAL 86 -1.578 11.283 6.240 695 HG13 VAL 86 3HG1 VAL 86 -0.364 11.077 4.976 696 HG21 VAL 86 3HG2 VAL 86 -1.555 7.799 3.806 697 HG22 VAL 86 1HG2 VAL 86 -0.260 7.996 4.985 698 HG23 VAL 86 2HG2 VAL 86 -0.343 9.061 3.582 699 H HIS 87 H HIS 87 -2.525 6.208 6.149 700 HA HIS 87 HA HIS 87 -0.121 5.998 7.760 701 HB2 HIS 87 2HB HIS 87 -2.770 5.587 8.889 702 HB3 HIS 87 1HB HIS 87 -1.782 4.135 9.010 703 HD1 HIS 87 HD1 HIS 87 0.006 4.106 10.786 704 HD2 HIS 87 HD2 HIS 87 -1.633 7.879 10.207 705 HE1 HIS 87 HE1 HIS 87 0.943 5.541 12.623 706 H SER 88 H SER 88 0.985 4.833 6.299 707 HA SER 88 HA SER 88 -0.299 2.537 5.025 708 HB2 SER 88 2HB SER 88 2.486 3.572 4.488 709 HB3 SER 88 1HB SER 88 1.461 2.602 3.432 710 HG SER 88 HG SER 88 1.417 4.750 2.761 711 H ILE 89 H ILE 89 0.135 0.481 5.615 712 HA ILE 89 HA ILE 89 2.562 -0.059 7.168 713 HB ILE 89 HB ILE 89 0.786 0.269 8.815 714 HG12 ILE 89 2HG1 ILE 89 1.542 -2.648 8.538 715 HG13 ILE 89 1HG1 ILE 89 2.570 -1.395 9.228 716 HG21 ILE 89 1HG2 ILE 89 -0.640 -1.935 7.339 717 HG22 ILE 89 2HG2 ILE 89 -1.160 -0.259 7.510 718 HG23 ILE 89 3HG2 ILE 89 -1.114 -1.316 8.922 719 HD11 ILE 89 3HD1 ILE 89 1.526 -2.706 10.962 720 HD12 ILE 89 1HD1 ILE 89 -0.074 -2.327 10.326 721 HD13 ILE 89 2HD1 ILE 89 0.932 -1.046 11.008 722 H ASP 90 H ASP 90 3.497 -1.972 6.759 723 HA ASP 90 HA ASP 90 2.180 -3.738 4.808 724 HB2 ASP 90 2HB ASP 90 4.395 -4.234 3.917 725 HB3 ASP 90 1HB ASP 90 4.156 -2.493 3.948 726 H SER 91 H SER 91 3.888 -5.930 4.955 727 HA SER 91 HA SER 91 3.791 -6.733 7.774 728 HB2 SER 91 2HB SER 91 3.033 -8.619 5.556 729 HB3 SER 91 1HB SER 91 2.702 -8.759 7.283 730 HG SER 91 HG SER 91 1.638 -6.489 6.309 731 H GLU 92 H GLU 92 6.136 -5.868 6.443 732 HA GLU 92 HA GLU 92 7.659 -8.041 5.412 733 HB2 GLU 92 2HB GLU 92 9.602 -6.578 5.694 734 HB3 GLU 92 1HB GLU 92 8.260 -5.684 4.988 735 HG2 GLU 92 2HG GLU 92 8.105 -4.294 6.731 736 HG3 GLU 92 1HG GLU 92 8.357 -5.582 7.904 737 H VAL 93 H VAL 93 9.837 -8.613 6.521 738 HA VAL 93 HA VAL 93 9.465 -9.024 9.400 739 HB VAL 93 HB VAL 93 8.809 -11.077 8.098 740 HG11 VAL 93 1HG1 VAL 93 10.427 -10.961 6.303 741 HG12 VAL 93 2HG1 VAL 93 10.598 -12.482 7.182 742 HG13 VAL 93 3HG1 VAL 93 11.747 -11.174 7.455 743 HG21 VAL 93 3HG2 VAL 93 11.156 -11.365 9.961 744 HG22 VAL 93 1HG2 VAL 93 9.997 -12.632 9.553 745 HG23 VAL 93 2HG2 VAL 93 9.467 -11.201 10.438 746 H ILE 94 H ILE 94 11.426 -8.054 6.850 747 HA ILE 94 HA ILE 94 13.592 -7.424 8.580 748 HB ILE 94 HB ILE 94 14.307 -9.682 8.191 749 HG12 ILE 94 2HG1 ILE 94 16.468 -9.323 7.030 750 HG13 ILE 94 1HG1 ILE 94 15.867 -7.787 6.418 751 HG21 ILE 94 1HG2 ILE 94 14.737 -10.540 5.899 752 HG22 ILE 94 2HG2 ILE 94 13.901 -9.123 5.263 753 HG23 ILE 94 3HG2 ILE 94 13.033 -10.284 6.267 754 HD11 ILE 94 3HD1 ILE 94 16.242 -8.464 9.328 755 HD12 ILE 94 1HD1 ILE 94 15.736 -6.910 8.669 756 HD13 ILE 94 2HD1 ILE 94 17.359 -7.518 8.344 757 H THR 95 H THR 95 14.218 -5.470 7.962 758 HA THR 95 HA THR 95 13.505 -4.495 5.339 759 HB THR 95 HB THR 95 13.206 -3.152 7.444 760 HG1 THR 95 HG1 THR 95 13.120 -1.660 5.966 761 HG21 THR 95 3HG2 THR 95 15.342 -3.685 8.512 762 HG22 THR 95 1HG2 THR 95 15.133 -1.942 8.336 763 HG23 THR 95 2HG2 THR 95 16.199 -2.820 7.236 764 H LYS 96 H LYS 96 15.324 -2.829 4.468 765 HA LYS 96 HA LYS 96 17.702 -4.509 4.048 766 HB2 LYS 96 2HB LYS 96 17.939 -3.448 1.867 767 HB3 LYS 96 1HB LYS 96 16.341 -4.165 2.033 768 HG2 LYS 96 2HG LYS 96 15.361 -1.995 2.429 769 HG3 LYS 96 1HG LYS 96 16.957 -1.239 2.396 770 HD2 LYS 96 2HD LYS 96 17.237 -1.951 0.067 771 HD3 LYS 96 1HD LYS 96 15.637 -2.696 0.104 772 HE2 LYS 96 2HE LYS 96 15.448 -0.565 -0.967 773 HE3 LYS 96 1HE LYS 96 14.677 -0.457 0.612 774 HZ1 LYS 96 3HZ LYS 96 17.458 0.442 0.077 775 HZ2 LYS 96 1HZ LYS 96 16.533 0.722 1.470 776 HZ3 LYS 96 2HZ LYS 96 16.108 1.469 0.010 777 H LYS 97 H LYS 97 19.721 -3.393 3.653 778 HA LYS 97 HA LYS 97 19.936 -0.672 4.640 779 HB2 LYS 97 2HB LYS 97 20.086 -2.161 6.644 780 HB3 LYS 97 1HB LYS 97 21.488 -2.933 5.914 781 HG2 LYS 97 2HG LYS 97 22.348 -1.365 7.465 782 HG3 LYS 97 1HG LYS 97 22.575 -0.643 5.871 783 HD2 LYS 97 2HD LYS 97 21.763 1.080 7.268 784 HD3 LYS 97 1HD LYS 97 20.404 0.590 6.255 785 HE2 LYS 97 2HE LYS 97 19.826 0.953 8.656 786 HE3 LYS 97 1HE LYS 97 19.426 -0.645 8.050 787 HZ1 LYS 97 3HZ LYS 97 21.810 0.041 9.679 788 HZ2 LYS 97 1HZ LYS 97 21.444 -1.501 9.087 789 HZ3 LYS 97 2HZ LYS 97 20.437 -0.771 10.232 790 H GLU 98 H GLU 98 20.826 0.088 2.790 791 HA GLU 98 HA GLU 98 22.871 -1.391 1.392 792 HB2 GLU 98 2HB GLU 98 21.649 1.328 0.923 793 HB3 GLU 98 1HB GLU 98 22.890 0.632 -0.108 794 HG2 GLU 98 2HG GLU 98 21.177 -0.150 -1.293 795 HG3 GLU 98 1HG GLU 98 21.066 -1.376 -0.031 796 H ALA 99 H ALA 99 23.929 -1.099 3.767 797 HA ALA 99 HA ALA 99 25.712 1.231 3.683 798 HB1 ALA 99 1HB ALA 99 25.301 -0.776 5.899 799 HB2 ALA 99 2HB ALA 99 24.522 0.804 5.803 800 HB3 ALA 99 3HB ALA 99 26.273 0.691 5.984 801 H GLN 100 H GLN 100 27.082 0.552 2.039 802 HA GLN 100 HA GLN 100 28.693 -1.838 2.652 803 HB2 GLN 100 2HB GLN 100 27.217 -1.928 0.577 804 HB3 GLN 100 1HB GLN 100 28.274 -0.694 -0.110 805 HG2 GLN 100 2HG GLN 100 28.926 -2.931 -0.857 806 HG3 GLN 100 1HG GLN 100 30.197 -2.195 0.126 807 HE21 GLN 100 1HE2 GLN 100 27.194 -3.735 1.172 808 HE22 GLN 100 2HE2 GLN 100 27.950 -4.998 2.079 809 H GLN 101 H GLN 101 30.915 -1.740 2.248 810 HA GLN 101 HA GLN 101 32.031 0.904 2.581 811 HB2 GLN 101 2HB GLN 101 32.744 -1.163 3.886 812 HB3 GLN 101 1HB GLN 101 33.534 -1.709 2.409 813 HG2 GLN 101 2HG GLN 101 35.131 -0.628 3.914 814 HG3 GLN 101 1HG GLN 101 34.946 0.292 2.420 815 HE21 GLN 101 1HE2 GLN 101 35.758 2.121 3.478 816 HE22 GLN 101 2HE2 GLN 101 34.784 3.038 4.578 817 H ILE 102 H ILE 102 31.608 1.785 0.517 818 HA ILE 102 HA ILE 102 33.634 1.050 -1.432 819 HB ILE 102 HB ILE 102 31.791 -0.232 -2.245 820 HG12 ILE 102 2HG1 ILE 102 31.258 1.032 -4.418 821 HG13 ILE 102 1HG1 ILE 102 32.285 2.311 -3.769 822 HG21 ILE 102 1HG2 ILE 102 30.116 2.268 -2.059 823 HG22 ILE 102 2HG2 ILE 102 29.965 0.817 -1.066 824 HG23 ILE 102 3HG2 ILE 102 29.604 0.746 -2.790 825 HD11 ILE 102 3HD1 ILE 102 34.176 0.864 -3.726 826 HD12 ILE 102 1HD1 ILE 102 33.431 0.739 -5.316 827 HD13 ILE 102 2HD1 ILE 102 33.182 -0.536 -4.128 828 H ARG 103 H ARG 103 34.646 2.816 -2.095 829 HA ARG 103 HA ARG 103 33.154 5.309 -2.371 830 HB2 ARG 103 2HB ARG 103 35.476 4.852 -0.538 831 HB3 ARG 103 1HB ARG 103 35.332 6.405 -1.351 832 HG2 ARG 103 2HG ARG 103 33.225 5.172 0.430 833 HG3 ARG 103 1HG ARG 103 34.348 6.449 0.904 834 HD2 ARG 103 2HD ARG 103 33.142 7.355 -1.453 835 HD3 ARG 103 1HD ARG 103 31.840 6.636 -0.505 836 HE ARG 103 HE ARG 103 33.503 8.935 0.242 837 HH11 ARG 103 1HH1 ARG 103 30.841 6.764 0.993 838 HH12 ARG 103 2HH1 ARG 103 30.196 7.786 2.234 839 HH21 ARG 103 1HH2 ARG 103 32.630 10.278 1.873 840 HH22 ARG 103 2HH2 ARG 103 31.201 9.783 2.727 841 H GLU 104 H GLU 104 34.055 6.760 -3.827 842 HA GLU 104 HA GLU 104 36.131 5.608 -5.560 843 HB2 GLU 104 2HB GLU 104 35.128 6.943 -7.400 844 HB3 GLU 104 1HB GLU 104 34.033 5.734 -6.746 845 HG2 GLU 104 2HG GLU 104 32.920 7.510 -5.434 846 HG3 GLU 104 1HG GLU 104 33.975 8.694 -6.201 847 H GLU 105 H GLU 105 36.645 7.121 -3.231 848 HA GLU 105 HA GLU 105 37.904 9.497 -4.403 849 HB2 GLU 105 2HB GLU 105 37.678 10.541 -2.107 850 HB3 GLU 105 1HB GLU 105 36.179 10.366 -3.008 851 HG2 GLU 105 2HG GLU 105 35.529 8.489 -1.692 852 HG3 GLU 105 1HG GLU 105 37.110 8.421 -0.912 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -29.614 -16.416 -12.422 2 HA2 GLY 1 1HA GLY 1 -30.165 -17.869 -10.646 3 HA3 GLY 1 2HA GLY 1 -30.074 -19.257 -11.722 4 H SER 2 H SER 2 -27.794 -16.567 -11.708 5 HA SER 2 HA SER 2 -25.615 -18.422 -11.363 6 HB2 SER 2 2HB SER 2 -25.567 -15.400 -11.560 7 HB3 SER 2 1HB SER 2 -24.187 -16.482 -11.736 8 HG SER 2 HG SER 2 -25.516 -17.466 -13.491 9 H HIS 3 H HIS 3 -24.277 -18.620 -9.605 10 HA HIS 3 HA HIS 3 -25.196 -17.284 -7.144 11 HB2 HIS 3 2HB HIS 3 -23.840 -19.956 -7.567 12 HB3 HIS 3 1HB HIS 3 -24.091 -19.236 -5.981 13 HD1 HIS 3 HD1 HIS 3 -26.163 -20.376 -8.966 14 HD2 HIS 3 HD2 HIS 3 -26.458 -19.906 -4.848 15 HE1 HIS 3 HE1 HIS 3 -28.420 -21.283 -8.343 16 H MET 4 H MET 4 -23.332 -17.223 -5.460 17 HA MET 4 HA MET 4 -20.830 -16.405 -6.770 18 HB2 MET 4 2HB MET 4 -22.636 -14.809 -5.062 19 HB3 MET 4 1HB MET 4 -20.932 -14.705 -4.649 20 HG2 MET 4 2HG MET 4 -20.540 -14.178 -7.111 21 HG3 MET 4 1HG MET 4 -22.284 -13.937 -7.209 22 HE1 MET 4 3HE MET 4 -20.649 -10.313 -7.219 23 HE2 MET 4 1HE MET 4 -21.692 -11.413 -8.115 24 HE3 MET 4 2HE MET 4 -19.982 -11.791 -7.910 25 H LYS 5 H LYS 5 -19.121 -16.006 -4.963 26 HA LYS 5 HA LYS 5 -18.798 -18.479 -3.586 27 HB2 LYS 5 2HB LYS 5 -17.228 -15.903 -3.351 28 HB3 LYS 5 1HB LYS 5 -16.734 -17.458 -2.701 29 HG2 LYS 5 2HG LYS 5 -17.259 -17.077 -5.630 30 HG3 LYS 5 1HG LYS 5 -15.696 -16.701 -4.905 31 HD2 LYS 5 2HD LYS 5 -17.080 -19.383 -4.758 32 HD3 LYS 5 1HD LYS 5 -15.777 -18.972 -5.872 33 HE2 LYS 5 2HE LYS 5 -14.446 -18.354 -3.763 34 HE3 LYS 5 1HE LYS 5 -15.676 -19.259 -2.889 35 HZ1 LYS 5 3HZ LYS 5 -15.144 -21.115 -4.536 36 HZ2 LYS 5 1HZ LYS 5 -14.024 -20.808 -3.306 37 HZ3 LYS 5 2HZ LYS 5 -13.735 -20.243 -4.871 38 H THR 6 H THR 6 -19.271 -18.987 -1.506 39 HA THR 6 HA THR 6 -20.966 -17.310 0.014 40 HB THR 6 HB THR 6 -19.464 -19.547 1.309 41 HG1 THR 6 HG1 THR 6 -21.676 -20.076 -0.387 42 HG21 THR 6 3HG2 THR 6 -21.686 -20.004 2.270 43 HG22 THR 6 1HG2 THR 6 -22.357 -18.676 1.325 44 HG23 THR 6 2HG2 THR 6 -21.167 -18.349 2.585 45 H LYS 7 H LYS 7 -17.588 -18.322 0.489 46 HA LYS 7 HA LYS 7 -17.018 -15.795 1.781 47 HB2 LYS 7 2HB LYS 7 -16.174 -16.687 3.814 48 HB3 LYS 7 1HB LYS 7 -17.770 -17.388 3.597 49 HG2 LYS 7 2HG LYS 7 -16.808 -19.475 2.868 50 HG3 LYS 7 1HG LYS 7 -15.183 -18.785 2.907 51 HD2 LYS 7 2HD LYS 7 -15.527 -18.357 5.355 52 HD3 LYS 7 1HD LYS 7 -17.027 -19.276 5.241 53 HE2 LYS 7 2HE LYS 7 -14.284 -20.319 4.556 54 HE3 LYS 7 1HE LYS 7 -15.145 -20.637 6.061 55 HZ1 LYS 7 3HZ LYS 7 -15.473 -22.483 4.644 56 HZ2 LYS 7 1HZ LYS 7 -15.902 -21.511 3.329 57 HZ3 LYS 7 2HZ LYS 7 -16.937 -21.639 4.663 58 H LYS 8 H LYS 8 -14.687 -15.469 2.069 59 HA LYS 8 HA LYS 8 -13.001 -17.288 0.530 60 HB2 LYS 8 2HB LYS 8 -12.021 -14.967 -0.424 61 HB3 LYS 8 1HB LYS 8 -13.206 -15.946 -1.278 62 HG2 LYS 8 2HG LYS 8 -13.983 -13.706 -1.386 63 HG3 LYS 8 1HG LYS 8 -14.994 -14.513 -0.184 64 HD2 LYS 8 2HD LYS 8 -13.832 -13.486 1.609 65 HD3 LYS 8 1HD LYS 8 -12.559 -12.903 0.544 66 HE2 LYS 8 2HE LYS 8 -14.168 -11.138 1.231 67 HE3 LYS 8 1HE LYS 8 -14.065 -11.360 -0.514 68 HZ1 LYS 8 3HZ LYS 8 -16.365 -11.127 0.401 69 HZ2 LYS 8 1HZ LYS 8 -16.164 -12.625 1.159 70 HZ3 LYS 8 2HZ LYS 8 -16.118 -12.517 -0.524 71 H GLN 9 H GLN 9 -10.757 -17.017 0.884 72 HA GLN 9 HA GLN 9 -10.170 -15.910 3.520 73 HB2 GLN 9 2HB GLN 9 -8.687 -17.795 1.687 74 HB3 GLN 9 1HB GLN 9 -7.940 -17.102 3.118 75 HG2 GLN 9 2HG GLN 9 -8.677 -19.174 3.827 76 HG3 GLN 9 1HG GLN 9 -9.930 -18.072 4.392 77 HE21 GLN 9 1HE2 GLN 9 -11.471 -19.704 4.481 78 HE22 GLN 9 2HE2 GLN 9 -12.169 -20.395 3.057 79 H GLN 10 H GLN 10 -9.106 -15.726 0.175 80 HA GLN 10 HA GLN 10 -7.403 -13.423 0.825 81 HB2 GLN 10 2HB GLN 10 -7.552 -14.769 -1.858 82 HB3 GLN 10 1HB GLN 10 -6.226 -13.849 -1.166 83 HG2 GLN 10 2HG GLN 10 -7.119 -16.548 -0.188 84 HG3 GLN 10 1HG GLN 10 -5.797 -16.280 -1.316 85 HE21 GLN 10 1HE2 GLN 10 -3.940 -15.198 -0.585 86 HE22 GLN 10 2HE2 GLN 10 -3.526 -15.182 1.097 87 H TYR 11 H TYR 11 -7.867 -11.401 0.015 88 HA TYR 11 HA TYR 11 -9.766 -11.051 -2.106 89 HB2 TYR 11 2HB TYR 11 -11.296 -9.598 -0.690 90 HB3 TYR 11 1HB TYR 11 -11.432 -11.332 -0.451 91 HD1 TYR 11 HD1 TYR 11 -10.324 -8.168 1.034 92 HD2 TYR 11 HD2 TYR 11 -10.776 -12.350 1.650 93 HE1 TYR 11 HE1 TYR 11 -9.976 -7.841 3.447 94 HE2 TYR 11 HE2 TYR 11 -10.416 -12.039 4.059 95 HH TYR 11 HH TYR 11 -10.435 -8.943 5.541 96 H VAL 12 H VAL 12 -10.373 -8.598 -2.195 97 HA VAL 12 HA VAL 12 -8.245 -6.844 -1.318 98 HB VAL 12 HB VAL 12 -7.317 -7.759 -3.395 99 HG11 VAL 12 1HG1 VAL 12 -9.362 -8.415 -4.516 100 HG12 VAL 12 2HG1 VAL 12 -8.402 -7.362 -5.556 101 HG13 VAL 12 3HG1 VAL 12 -9.817 -6.724 -4.721 102 HG21 VAL 12 3HG2 VAL 12 -6.904 -5.664 -4.581 103 HG22 VAL 12 1HG2 VAL 12 -6.835 -5.432 -2.835 104 HG23 VAL 12 2HG2 VAL 12 -8.257 -4.913 -3.737 105 H THR 13 H THR 13 -8.900 -4.705 -1.243 106 HA THR 13 HA THR 13 -11.434 -3.950 -2.468 107 HB THR 13 HB THR 13 -12.285 -4.681 -0.378 108 HG1 THR 13 HG1 THR 13 -11.883 -1.933 0.160 109 HG21 THR 13 3HG2 THR 13 -10.097 -4.820 0.794 110 HG22 THR 13 1HG2 THR 13 -11.376 -4.106 1.777 111 HG23 THR 13 2HG2 THR 13 -10.157 -3.072 1.032 112 H ILE 14 H ILE 14 -11.447 -1.862 -3.117 113 HA ILE 14 HA ILE 14 -9.390 -0.052 -2.066 114 HB ILE 14 HB ILE 14 -10.028 -0.246 -5.014 115 HG12 ILE 14 2HG1 ILE 14 -7.551 -1.285 -3.616 116 HG13 ILE 14 1HG1 ILE 14 -8.880 -2.307 -4.150 117 HG21 ILE 14 1HG2 ILE 14 -9.247 1.929 -4.306 118 HG22 ILE 14 2HG2 ILE 14 -7.992 1.122 -5.245 119 HG23 ILE 14 3HG2 ILE 14 -7.866 1.199 -3.488 120 HD11 ILE 14 3HD1 ILE 14 -7.070 -0.646 -5.881 121 HD12 ILE 14 1HD1 ILE 14 -8.475 -1.536 -6.463 122 HD13 ILE 14 2HD1 ILE 14 -7.112 -2.403 -5.757 123 H LYS 15 H LYS 15 -10.416 1.673 -1.271 124 HA LYS 15 HA LYS 15 -12.793 2.678 -2.694 125 HB2 LYS 15 2HB LYS 15 -13.454 1.510 -0.639 126 HB3 LYS 15 1HB LYS 15 -12.376 2.533 0.299 127 HG2 LYS 15 2HG LYS 15 -14.295 4.032 -1.326 128 HG3 LYS 15 1HG LYS 15 -15.044 3.005 -0.105 129 HD2 LYS 15 2HD LYS 15 -12.782 4.886 0.537 130 HD3 LYS 15 1HD LYS 15 -14.472 5.392 0.571 131 HE2 LYS 15 2HE LYS 15 -13.266 3.149 2.208 132 HE3 LYS 15 1HE LYS 15 -13.692 4.749 2.814 133 HZ1 LYS 15 3HZ LYS 15 -16.004 4.285 2.241 134 HZ2 LYS 15 1HZ LYS 15 -15.400 3.142 3.331 135 HZ3 LYS 15 2HZ LYS 15 -15.579 2.742 1.698 136 H GLY 16 H GLY 16 -12.400 4.634 -3.480 137 HA2 GLY 16 2HA GLY 16 -11.390 6.746 -1.823 138 HA3 GLY 16 1HA GLY 16 -10.223 6.247 -3.039 139 H THR 17 H THR 17 -13.750 6.497 -3.176 140 HA THR 17 HA THR 17 -13.484 8.049 -5.626 141 HB THR 17 HB THR 17 -14.958 6.163 -5.801 142 HG1 THR 17 HG1 THR 17 -15.642 8.023 -6.920 143 HG21 THR 17 3HG2 THR 17 -17.050 6.031 -4.459 144 HG22 THR 17 1HG2 THR 17 -16.439 7.344 -3.451 145 HG23 THR 17 2HG2 THR 17 -15.584 5.805 -3.506 146 H LYS 18 H LYS 18 -14.718 8.360 -2.353 147 HA LYS 18 HA LYS 18 -15.139 11.224 -2.868 148 HB2 LYS 18 2HB LYS 18 -16.945 9.401 -1.270 149 HB3 LYS 18 1HB LYS 18 -17.076 11.154 -1.302 150 HG2 LYS 18 2HG LYS 18 -17.510 11.063 -3.719 151 HG3 LYS 18 1HG LYS 18 -17.421 9.299 -3.655 152 HD2 LYS 18 2HD LYS 18 -19.720 9.838 -3.580 153 HD3 LYS 18 1HD LYS 18 -19.276 9.418 -1.925 154 HE2 LYS 18 2HE LYS 18 -18.862 11.968 -1.669 155 HE3 LYS 18 1HE LYS 18 -19.866 12.101 -3.110 156 HZ1 LYS 18 3HZ LYS 18 -21.226 12.322 -1.179 157 HZ2 LYS 18 1HZ LYS 18 -20.630 10.882 -0.520 158 HZ3 LYS 18 2HZ LYS 18 -21.590 10.844 -1.911 159 H ASN 19 H ASN 19 -13.202 9.225 -1.435 160 HA ASN 19 HA ASN 19 -12.799 10.927 0.914 161 HB2 ASN 19 2HB ASN 19 -12.671 7.892 0.975 162 HB3 ASN 19 1HB ASN 19 -12.313 8.965 2.323 163 HD21 ASN 19 1HD2 ASN 19 -14.086 10.356 3.070 164 HD22 ASN 19 2HD2 ASN 19 -15.702 9.714 3.011 165 H GLY 20 H GLY 20 -10.520 10.020 1.919 166 HA2 GLY 20 2HA GLY 20 -8.542 10.768 0.110 167 HA3 GLY 20 1HA GLY 20 -8.253 9.912 1.616 168 H LEU 21 H LEU 21 -8.194 7.587 1.590 169 HA LEU 21 HA LEU 21 -8.459 6.100 -0.807 170 HB2 LEU 21 2HB LEU 21 -6.412 7.310 -1.385 171 HB3 LEU 21 1HB LEU 21 -5.651 6.742 0.085 172 HG LEU 21 HG LEU 21 -5.734 4.438 -0.745 173 HD11 LEU 21 1HD1 LEU 21 -6.322 4.075 -3.143 174 HD12 LEU 21 2HD1 LEU 21 -7.001 5.704 -3.166 175 HD13 LEU 21 3HD1 LEU 21 -7.692 4.474 -2.110 176 HD21 LEU 21 3HD2 LEU 21 -4.144 4.759 -2.653 177 HD22 LEU 21 1HD2 LEU 21 -3.740 5.662 -1.194 178 HD23 LEU 21 2HD2 LEU 21 -4.486 6.486 -2.563 179 H THR 22 H THR 22 -9.327 4.359 0.136 180 HA THR 22 HA THR 22 -7.901 3.168 2.427 181 HB THR 22 HB THR 22 -10.776 2.534 1.913 182 HG1 THR 22 HG1 THR 22 -9.772 5.031 2.578 183 HG21 THR 22 3HG2 THR 22 -9.561 1.369 3.689 184 HG22 THR 22 1HG2 THR 22 -10.824 2.395 4.370 185 HG23 THR 22 2HG2 THR 22 -9.140 2.914 4.427 186 H LEU 23 H LEU 23 -6.658 1.619 1.481 187 HA LEU 23 HA LEU 23 -8.048 -0.316 -0.253 188 HB2 LEU 23 2HB LEU 23 -6.009 -0.644 -1.515 189 HB3 LEU 23 1HB LEU 23 -6.476 1.043 -1.557 190 HG LEU 23 HG LEU 23 -4.531 0.273 0.542 191 HD11 LEU 23 1HD1 LEU 23 -3.691 0.530 -2.337 192 HD12 LEU 23 2HD1 LEU 23 -3.809 -1.000 -1.467 193 HD13 LEU 23 3HD1 LEU 23 -2.658 0.226 -0.940 194 HD21 LEU 23 3HD2 LEU 23 -5.236 2.564 0.344 195 HD22 LEU 23 1HD2 LEU 23 -4.808 2.585 -1.367 196 HD23 LEU 23 2HD2 LEU 23 -3.546 2.431 -0.146 197 H HIS 24 H HIS 24 -7.449 -2.488 -0.062 198 HA HIS 24 HA HIS 24 -5.545 -3.296 1.955 199 HB2 HIS 24 2HB HIS 24 -7.614 -2.784 3.248 200 HB3 HIS 24 1HB HIS 24 -8.479 -3.965 2.278 201 HD1 HIS 24 HD1 HIS 24 -8.946 -4.946 4.751 202 HD2 HIS 24 HD2 HIS 24 -5.084 -5.374 3.293 203 HE1 HIS 24 HE1 HIS 24 -7.888 -6.722 6.167 204 H LEU 25 H LEU 25 -4.561 -5.071 1.214 205 HA LEU 25 HA LEU 25 -6.070 -6.990 -0.425 206 HB2 LEU 25 2HB LEU 25 -4.311 -5.349 -1.582 207 HB3 LEU 25 1HB LEU 25 -3.171 -6.528 -0.972 208 HG LEU 25 HG LEU 25 -5.497 -7.261 -2.744 209 HD11 LEU 25 1HD1 LEU 25 -4.097 -5.723 -3.960 210 HD12 LEU 25 2HD1 LEU 25 -3.856 -7.358 -4.574 211 HD13 LEU 25 3HD1 LEU 25 -2.654 -6.627 -3.508 212 HD21 LEU 25 3HD2 LEU 25 -4.520 -9.076 -1.398 213 HD22 LEU 25 1HD2 LEU 25 -2.944 -8.729 -2.104 214 HD23 LEU 25 2HD2 LEU 25 -4.263 -9.299 -3.128 215 H ASP 26 H ASP 26 -5.854 -9.046 0.294 216 HA ASP 26 HA ASP 26 -3.654 -9.595 2.180 217 HB2 ASP 26 2HB ASP 26 -6.440 -10.784 2.283 218 HB3 ASP 26 1HB ASP 26 -5.123 -11.113 3.399 219 H ASP 27 H ASP 27 -2.427 -10.375 0.374 220 HA ASP 27 HA ASP 27 -2.837 -13.183 -0.071 221 HB2 ASP 27 2HB ASP 27 -4.202 -11.938 -1.875 222 HB3 ASP 27 1HB ASP 27 -2.638 -11.520 -2.571 223 H ALA 28 H ALA 28 -0.933 -14.143 -0.049 224 HA ALA 28 HA ALA 28 1.460 -12.488 -0.351 225 HB1 ALA 28 1HB ALA 28 2.633 -14.178 0.866 226 HB2 ALA 28 2HB ALA 28 1.273 -15.291 0.735 227 HB3 ALA 28 3HB ALA 28 1.127 -13.837 1.721 228 H CYS 29 H CYS 29 3.314 -13.362 -1.464 229 HA CYS 29 HA CYS 29 4.426 -14.280 -3.203 230 HB2 CYS 29 2HB CYS 29 2.193 -16.307 -3.381 231 HB3 CYS 29 1HB CYS 29 3.823 -16.460 -4.031 232 HG CYS 29 HG CYS 29 3.443 -18.115 -1.748 233 H SER 30 H SER 30 1.852 -12.502 -3.506 234 HA SER 30 HA SER 30 1.671 -12.812 -6.426 235 HB2 SER 30 2HB SER 30 -0.365 -11.750 -4.457 236 HB3 SER 30 1HB SER 30 -0.525 -11.599 -6.206 237 HG SER 30 HG SER 30 -1.126 -13.682 -4.640 238 H PHE 31 H PHE 31 1.170 -10.735 -7.562 239 HA PHE 31 HA PHE 31 2.993 -8.677 -6.583 240 HB2 PHE 31 2HB PHE 31 2.381 -7.782 -9.025 241 HB3 PHE 31 1HB PHE 31 3.604 -9.019 -8.766 242 HD1 PHE 31 HD1 PHE 31 0.044 -8.510 -9.664 243 HD2 PHE 31 HD2 PHE 31 3.391 -11.138 -9.723 244 HE1 PHE 31 HE1 PHE 31 -1.189 -10.039 -11.143 245 HE2 PHE 31 HE2 PHE 31 2.166 -12.672 -11.204 246 HZ PHE 31 HZ PHE 31 -0.129 -12.121 -11.914 247 H ASP 32 H ASP 32 2.389 -6.610 -6.171 248 HA ASP 32 HA ASP 32 -0.474 -6.156 -5.825 249 HB2 ASP 32 2HB ASP 32 0.553 -4.033 -4.634 250 HB3 ASP 32 1HB ASP 32 0.548 -5.607 -3.839 251 H GLU 33 H GLU 33 1.111 -5.874 -8.441 252 HA GLU 33 HA GLU 33 1.235 -3.155 -9.118 253 HB2 GLU 33 2HB GLU 33 1.233 -3.884 -11.455 254 HB3 GLU 33 1HB GLU 33 2.312 -4.867 -10.484 255 HG2 GLU 33 2HG GLU 33 0.708 -6.670 -10.451 256 HG3 GLU 33 1HG GLU 33 -0.467 -5.675 -11.312 257 H LEU 34 H LEU 34 -1.427 -5.442 -9.217 258 HA LEU 34 HA LEU 34 -3.227 -3.718 -10.610 259 HB2 LEU 34 2HB LEU 34 -3.836 -6.092 -8.847 260 HB3 LEU 34 1HB LEU 34 -4.936 -5.346 -9.996 261 HG LEU 34 HG LEU 34 -2.351 -6.724 -10.748 262 HD11 LEU 34 1HD1 LEU 34 -3.897 -8.343 -9.844 263 HD12 LEU 34 2HD1 LEU 34 -3.812 -8.516 -11.598 264 HD13 LEU 34 3HD1 LEU 34 -5.195 -7.711 -10.854 265 HD21 LEU 34 3HD2 LEU 34 -3.288 -6.630 -13.022 266 HD22 LEU 34 1HD2 LEU 34 -3.023 -5.025 -12.350 267 HD23 LEU 34 2HD2 LEU 34 -4.653 -5.696 -12.410 268 H LEU 35 H LEU 35 -2.069 -3.814 -7.450 269 HA LEU 35 HA LEU 35 -4.421 -2.563 -6.266 270 HB2 LEU 35 2HB LEU 35 -3.143 -4.307 -5.035 271 HB3 LEU 35 1HB LEU 35 -1.748 -3.251 -5.042 272 HG LEU 35 HG LEU 35 -3.098 -1.588 -3.730 273 HD11 LEU 35 1HD1 LEU 35 -5.068 -2.509 -2.525 274 HD12 LEU 35 2HD1 LEU 35 -5.024 -3.900 -3.607 275 HD13 LEU 35 3HD1 LEU 35 -5.323 -2.289 -4.255 276 HD21 LEU 35 3HD2 LEU 35 -1.485 -2.910 -2.589 277 HD22 LEU 35 1HD2 LEU 35 -2.543 -4.320 -2.594 278 HD23 LEU 35 2HD2 LEU 35 -2.949 -2.916 -1.609 279 H ASP 36 H ASP 36 -0.973 -1.887 -6.804 280 HA ASP 36 HA ASP 36 -1.037 0.772 -5.881 281 HB2 ASP 36 2HB ASP 36 1.060 -0.464 -6.128 282 HB3 ASP 36 1HB ASP 36 0.850 -0.492 -7.875 283 H GLY 37 H GLY 37 -2.016 -0.660 -8.866 284 HA2 GLY 37 2HA GLY 37 -1.866 1.472 -10.629 285 HA3 GLY 37 1HA GLY 37 -3.121 0.243 -10.670 286 H LEU 38 H LEU 38 -4.523 0.678 -8.406 287 HA LEU 38 HA LEU 38 -5.881 3.153 -9.017 288 HB2 LEU 38 2HB LEU 38 -6.443 0.823 -7.229 289 HB3 LEU 38 1HB LEU 38 -7.324 2.320 -7.005 290 HG LEU 38 HG LEU 38 -7.875 2.097 -9.534 291 HD11 LEU 38 1HD1 LEU 38 -7.995 -0.207 -10.323 292 HD12 LEU 38 2HD1 LEU 38 -7.174 -0.754 -8.861 293 HD13 LEU 38 3HD1 LEU 38 -6.333 0.282 -10.012 294 HD21 LEU 38 3HD2 LEU 38 -9.795 0.574 -8.957 295 HD22 LEU 38 1HD2 LEU 38 -9.600 1.982 -7.912 296 HD23 LEU 38 2HD2 LEU 38 -9.071 0.396 -7.359 297 H GLN 39 H GLN 39 -3.790 1.854 -6.557 298 HA GLN 39 HA GLN 39 -4.192 3.669 -4.481 299 HB2 GLN 39 2HB GLN 39 -2.763 1.536 -4.531 300 HB3 GLN 39 1HB GLN 39 -1.502 2.529 -5.240 301 HG2 GLN 39 2HG GLN 39 -2.764 3.353 -2.667 302 HG3 GLN 39 1HG GLN 39 -1.546 2.085 -2.684 303 HE21 GLN 39 1HE2 GLN 39 0.074 3.144 -4.768 304 HE22 GLN 39 2HE2 GLN 39 0.833 4.573 -4.160 305 H ASN 40 H ASN 40 -1.964 3.793 -7.219 306 HA ASN 40 HA ASN 40 -1.000 6.429 -6.523 307 HB2 ASN 40 2HB ASN 40 -0.132 4.299 -8.236 308 HB3 ASN 40 1HB ASN 40 -0.278 5.764 -9.193 309 HD21 ASN 40 1HD2 ASN 40 1.442 4.143 -6.666 310 HD22 ASN 40 2HD2 ASN 40 2.693 5.328 -6.495 311 H MET 41 H MET 41 -3.735 5.287 -8.066 312 HA MET 41 HA MET 41 -3.913 7.478 -9.974 313 HB2 MET 41 2HB MET 41 -4.677 5.270 -10.685 314 HB3 MET 41 1HB MET 41 -5.843 5.232 -9.368 315 HG2 MET 41 2HG MET 41 -6.726 7.425 -10.463 316 HG3 MET 41 1HG MET 41 -5.873 6.832 -11.886 317 HE1 MET 41 3HE MET 41 -9.591 6.016 -12.765 318 HE2 MET 41 1HE MET 41 -8.117 6.852 -13.256 319 HE3 MET 41 2HE MET 41 -9.028 7.419 -11.857 320 H LEU 42 H LEU 42 -5.976 6.192 -7.372 321 HA LEU 42 HA LEU 42 -7.781 8.319 -7.320 322 HB2 LEU 42 2HB LEU 42 -7.013 6.452 -5.086 323 HB3 LEU 42 1HB LEU 42 -8.440 7.468 -5.109 324 HG LEU 42 HG LEU 42 -7.870 5.252 -7.077 325 HD11 LEU 42 1HD1 LEU 42 -8.305 4.440 -4.787 326 HD12 LEU 42 2HD1 LEU 42 -9.562 3.982 -5.937 327 HD13 LEU 42 3HD1 LEU 42 -9.841 5.304 -4.803 328 HD21 LEU 42 3HD2 LEU 42 -10.286 7.007 -6.672 329 HD22 LEU 42 1HD2 LEU 42 -10.249 5.570 -7.694 330 HD23 LEU 42 2HD2 LEU 42 -9.233 6.955 -8.086 331 H SER 43 H SER 43 -4.770 7.886 -5.518 332 HA SER 43 HA SER 43 -5.031 9.970 -3.683 333 HB2 SER 43 2HB SER 43 -2.424 9.977 -3.920 334 HB3 SER 43 1HB SER 43 -3.233 8.539 -3.291 335 HG SER 43 HG SER 43 -2.499 7.473 -4.933 336 H ILE 44 H ILE 44 -3.794 9.986 -6.995 337 HA ILE 44 HA ILE 44 -3.202 12.815 -6.927 338 HB ILE 44 HB ILE 44 -3.149 10.825 -9.206 339 HG12 ILE 44 2HG1 ILE 44 -0.884 12.072 -7.633 340 HG13 ILE 44 1HG1 ILE 44 -1.503 10.443 -7.384 341 HG21 ILE 44 1HG2 ILE 44 -2.148 13.668 -9.124 342 HG22 ILE 44 2HG2 ILE 44 -3.518 13.071 -10.060 343 HG23 ILE 44 3HG2 ILE 44 -1.884 12.525 -10.441 344 HD11 ILE 44 3HD1 ILE 44 0.540 10.440 -8.702 345 HD12 ILE 44 1HD1 ILE 44 -0.232 11.469 -9.910 346 HD13 ILE 44 2HD1 ILE 44 -0.826 9.833 -9.636 347 H GLU 45 H GLU 45 -5.692 10.692 -8.142 348 HA GLU 45 HA GLU 45 -7.055 12.459 -9.823 349 HB2 GLU 45 2HB GLU 45 -7.486 10.073 -9.831 350 HB3 GLU 45 1HB GLU 45 -8.088 10.146 -8.182 351 HG2 GLU 45 2HG GLU 45 -9.889 9.965 -9.818 352 HG3 GLU 45 1HG GLU 45 -9.983 11.460 -8.888 353 H GLN 46 H GLN 46 -7.890 11.607 -6.434 354 HA GLN 46 HA GLN 46 -8.543 14.309 -5.830 355 HB2 GLN 46 2HB GLN 46 -10.509 13.977 -7.116 356 HB3 GLN 46 1HB GLN 46 -10.784 12.388 -6.415 357 HG2 GLN 46 2HG GLN 46 -10.861 13.947 -4.193 358 HG3 GLN 46 1HG GLN 46 -11.540 15.040 -5.398 359 HE21 GLN 46 1HE2 GLN 46 -11.838 11.908 -3.895 360 HE22 GLN 46 2HE2 GLN 46 -13.513 11.674 -4.261 361 H TYR 47 H TYR 47 -7.563 14.244 -3.894 362 HA TYR 47 HA TYR 47 -8.425 12.166 -2.000 363 HB2 TYR 47 2HB TYR 47 -6.370 12.577 -0.753 364 HB3 TYR 47 1HB TYR 47 -5.987 12.200 -2.427 365 HD1 TYR 47 HD1 TYR 47 -5.425 14.153 -3.982 366 HD2 TYR 47 HD2 TYR 47 -5.563 14.533 0.254 367 HE1 TYR 47 HE1 TYR 47 -4.042 16.181 -4.121 368 HE2 TYR 47 HE2 TYR 47 -4.185 16.563 0.123 369 HH TYR 47 HH TYR 47 -3.591 18.204 -2.775 370 H THR 48 H THR 48 -9.673 14.762 -2.828 371 HA THR 48 HA THR 48 -9.553 16.421 -0.473 372 HB THR 48 HB THR 48 -11.735 16.840 -2.427 373 HG1 THR 48 HG1 THR 48 -9.118 17.537 -3.247 374 HG21 THR 48 3HG2 THR 48 -11.253 18.465 -0.676 375 HG22 THR 48 1HG2 THR 48 -10.932 19.164 -2.263 376 HG23 THR 48 2HG2 THR 48 -9.594 18.621 -1.254 377 H ASP 49 H ASP 49 -10.467 15.518 1.298 378 HA ASP 49 HA ASP 49 -13.253 14.613 1.064 379 HB2 ASP 49 2HB ASP 49 -11.644 12.727 1.422 380 HB3 ASP 49 1HB ASP 49 -11.166 13.483 2.935 381 H GLY 50 H GLY 50 -14.597 15.759 2.272 382 HA2 GLY 50 2HA GLY 50 -13.596 17.761 4.088 383 HA3 GLY 50 1HA GLY 50 -15.278 17.479 3.665 384 H LYS 51 H LYS 51 -14.488 14.514 4.386 385 HA LYS 51 HA LYS 51 -15.288 14.804 7.190 386 HB2 LYS 51 2HB LYS 51 -15.116 12.305 5.498 387 HB3 LYS 51 1HB LYS 51 -15.857 12.444 7.085 388 HG2 LYS 51 2HG LYS 51 -16.819 13.962 4.679 389 HG3 LYS 51 1HG LYS 51 -17.438 12.376 5.147 390 HD2 LYS 51 2HD LYS 51 -18.151 13.272 7.298 391 HD3 LYS 51 1HD LYS 51 -17.489 14.851 6.877 392 HE2 LYS 51 2HE LYS 51 -19.064 15.047 5.037 393 HE3 LYS 51 1HE LYS 51 -19.702 13.443 5.393 394 HZ1 LYS 51 3HZ LYS 51 -21.072 15.256 6.287 395 HZ2 LYS 51 1HZ LYS 51 -19.790 15.732 7.277 396 HZ3 LYS 51 2HZ LYS 51 -20.507 14.216 7.495 397 H GLY 52 H GLY 52 -12.522 14.680 5.509 398 HA2 GLY 52 2HA GLY 52 -10.419 14.623 6.656 399 HA3 GLY 52 1HA GLY 52 -11.081 13.389 7.724 400 H GLN 53 H GLN 53 -9.560 14.055 4.718 401 HA GLN 53 HA GLN 53 -9.990 11.644 3.366 402 HB2 GLN 53 2HB GLN 53 -7.779 12.221 2.204 403 HB3 GLN 53 1HB GLN 53 -9.107 13.359 2.046 404 HG2 GLN 53 2HG GLN 53 -7.101 13.753 4.211 405 HG3 GLN 53 1HG GLN 53 -6.685 14.183 2.552 406 HE21 GLN 53 1HE2 GLN 53 -7.876 15.828 1.511 407 HE22 GLN 53 2HE2 GLN 53 -8.755 17.008 2.429 408 H LYS 54 H LYS 54 -9.740 9.795 4.459 409 HA LYS 54 HA LYS 54 -7.327 9.296 5.990 410 HB2 LYS 54 2HB LYS 54 -9.513 8.577 6.870 411 HB3 LYS 54 1HB LYS 54 -9.733 7.545 5.466 412 HG2 LYS 54 2HG LYS 54 -7.825 6.198 6.134 413 HG3 LYS 54 1HG LYS 54 -7.553 7.255 7.520 414 HD2 LYS 54 2HD LYS 54 -9.702 6.635 8.454 415 HD3 LYS 54 1HD LYS 54 -10.062 5.655 7.033 416 HE2 LYS 54 2HE LYS 54 -8.256 4.148 7.562 417 HE3 LYS 54 1HE LYS 54 -7.751 5.166 8.908 418 HZ1 LYS 54 3HZ LYS 54 -9.876 4.698 9.985 419 HZ2 LYS 54 1HZ LYS 54 -9.009 3.277 9.686 420 HZ3 LYS 54 2HZ LYS 54 -10.316 3.688 8.701 421 H ILE 55 H ILE 55 -5.579 8.679 4.914 422 HA ILE 55 HA ILE 55 -5.887 6.987 2.524 423 HB ILE 55 HB ILE 55 -3.505 8.662 3.363 424 HG12 ILE 55 2HG1 ILE 55 -5.529 9.094 1.149 425 HG13 ILE 55 1HG1 ILE 55 -5.436 10.020 2.642 426 HG21 ILE 55 1HG2 ILE 55 -3.094 6.524 2.027 427 HG22 ILE 55 2HG2 ILE 55 -2.433 8.023 1.373 428 HG23 ILE 55 3HG2 ILE 55 -3.910 7.343 0.696 429 HD11 ILE 55 3HD1 ILE 55 -3.195 9.889 0.647 430 HD12 ILE 55 1HD1 ILE 55 -3.378 11.005 1.999 431 HD13 ILE 55 2HD1 ILE 55 -4.462 11.113 0.612 432 H SER 56 H SER 56 -5.978 4.972 3.384 433 HA SER 56 HA SER 56 -3.770 4.173 5.155 434 HB2 SER 56 2HB SER 56 -6.525 2.937 4.948 435 HB3 SER 56 1HB SER 56 -5.252 2.464 6.077 436 HG SER 56 HG SER 56 -5.673 5.103 6.248 437 H VAL 57 H VAL 57 -2.280 3.271 3.910 438 HA VAL 57 HA VAL 57 -3.051 1.508 1.722 439 HB VAL 57 HB VAL 57 -0.248 2.225 2.599 440 HG11 VAL 57 1HG1 VAL 57 -1.235 1.337 -0.103 441 HG12 VAL 57 2HG1 VAL 57 -0.558 0.246 1.106 442 HG13 VAL 57 3HG1 VAL 57 0.435 1.532 0.425 443 HG21 VAL 57 3HG2 VAL 57 -1.527 4.265 2.099 444 HG22 VAL 57 1HG2 VAL 57 -1.920 3.615 0.508 445 HG23 VAL 57 2HG2 VAL 57 -0.245 3.975 0.924 446 H HIS 58 H HIS 58 -3.907 -0.229 2.870 447 HA HIS 58 HA HIS 58 -2.191 -1.573 4.812 448 HB2 HIS 58 2HB HIS 58 -5.077 -1.983 4.033 449 HB3 HIS 58 1HB HIS 58 -4.218 -3.048 5.141 450 HD1 HIS 58 HD1 HIS 58 -6.273 -2.118 6.715 451 HD2 HIS 58 HD2 HIS 58 -3.183 0.524 5.857 452 HE1 HIS 58 HE1 HIS 58 -6.438 -0.302 8.445 453 H VAL 59 H VAL 59 -0.607 -2.351 3.427 454 HA VAL 59 HA VAL 59 -1.409 -4.271 1.376 455 HB VAL 59 HB VAL 59 1.282 -4.300 1.208 456 HG11 VAL 59 1HG1 VAL 59 1.034 -2.631 -0.594 457 HG12 VAL 59 2HG1 VAL 59 -0.580 -2.258 0.012 458 HG13 VAL 59 3HG1 VAL 59 -0.226 -3.864 -0.624 459 HG21 VAL 59 3HG2 VAL 59 1.351 -2.602 3.107 460 HG22 VAL 59 1HG2 VAL 59 0.707 -1.441 1.948 461 HG23 VAL 59 2HG2 VAL 59 2.268 -2.206 1.653 462 H LYS 60 H LYS 60 -2.190 -5.624 3.256 463 HA LYS 60 HA LYS 60 -0.125 -6.951 4.790 464 HB2 LYS 60 2HB LYS 60 -2.705 -6.401 5.368 465 HB3 LYS 60 1HB LYS 60 -2.887 -8.037 4.754 466 HG2 LYS 60 2HG LYS 60 -2.630 -8.241 7.080 467 HG3 LYS 60 1HG LYS 60 -1.079 -8.718 6.378 468 HD2 LYS 60 2HD LYS 60 -0.184 -6.492 6.852 469 HD3 LYS 60 1HD LYS 60 -1.736 -6.009 7.538 470 HE2 LYS 60 2HE LYS 60 -0.262 -6.566 9.340 471 HE3 LYS 60 1HE LYS 60 -1.487 -7.827 9.216 472 HZ1 LYS 60 3HZ LYS 60 1.022 -8.230 7.765 473 HZ2 LYS 60 1HZ LYS 60 0.026 -9.359 8.541 474 HZ3 LYS 60 2HZ LYS 60 1.061 -8.377 9.451 475 H LEU 61 H LEU 61 0.718 -7.418 2.469 476 HA LEU 61 HA LEU 61 -0.479 -9.596 1.058 477 HB2 LEU 61 2HB LEU 61 2.304 -8.461 0.827 478 HB3 LEU 61 1HB LEU 61 1.499 -9.479 -0.351 479 HG LEU 61 HG LEU 61 0.342 -6.818 0.422 480 HD11 LEU 61 1HD1 LEU 61 2.680 -6.458 -0.274 481 HD12 LEU 61 2HD1 LEU 61 1.511 -5.773 -1.403 482 HD13 LEU 61 3HD1 LEU 61 2.327 -7.287 -1.790 483 HD21 LEU 61 3HD2 LEU 61 -1.101 -8.319 -0.803 484 HD22 LEU 61 1HD2 LEU 61 0.144 -8.551 -2.031 485 HD23 LEU 61 2HD2 LEU 61 -0.617 -6.972 -1.835 486 H GLY 62 H GLY 62 2.780 -9.402 2.539 487 HA2 GLY 62 2HA GLY 62 3.105 -11.108 4.380 488 HA3 GLY 62 1HA GLY 62 2.469 -12.253 3.207 489 H ASN 63 H ASN 63 4.223 -13.540 2.954 490 HA ASN 63 HA ASN 63 6.890 -12.584 2.730 491 HB2 ASN 63 2HB ASN 63 7.453 -14.915 2.203 492 HB3 ASN 63 1HB ASN 63 6.385 -14.811 3.597 493 HD21 ASN 63 1HD2 ASN 63 6.730 -15.867 0.322 494 HD22 ASN 63 2HD2 ASN 63 5.239 -16.741 0.225 495 H ARG 64 H ARG 64 5.076 -11.418 0.723 496 HA ARG 64 HA ARG 64 5.880 -12.566 -1.811 497 HB2 ARG 64 2HB ARG 64 4.472 -11.008 -2.845 498 HB3 ARG 64 1HB ARG 64 3.667 -11.302 -1.309 499 HG2 ARG 64 2HG ARG 64 3.709 -9.134 -0.868 500 HG3 ARG 64 1HG ARG 64 5.473 -9.147 -0.937 501 HD2 ARG 64 2HD ARG 64 3.735 -8.916 -3.390 502 HD3 ARG 64 1HD ARG 64 4.304 -7.517 -2.484 503 HE ARG 64 HE ARG 64 6.417 -9.304 -3.263 504 HH11 ARG 64 1HH1 ARG 64 4.449 -6.567 -4.282 505 HH12 ARG 64 2HH1 ARG 64 5.606 -6.047 -5.478 506 HH21 ARG 64 1HH2 ARG 64 7.909 -8.605 -4.842 507 HH22 ARG 64 2HH2 ARG 64 7.559 -7.197 -5.794 508 H PHE 65 H PHE 65 7.256 -10.618 0.480 509 HA PHE 65 HA PHE 65 9.137 -9.382 0.622 510 HB2 PHE 65 2HB PHE 65 10.001 -11.254 -0.932 511 HB3 PHE 65 1HB PHE 65 9.826 -10.075 -2.228 512 HD1 PHE 65 HD1 PHE 65 11.556 -10.785 0.951 513 HD2 PHE 65 HD2 PHE 65 11.403 -8.341 -2.528 514 HE1 PHE 65 HE1 PHE 65 13.752 -9.842 1.525 515 HE2 PHE 65 HE2 PHE 65 13.603 -7.396 -1.961 516 HZ PHE 65 HZ PHE 65 14.780 -8.147 0.067 517 H LEU 66 H LEU 66 7.740 -7.570 0.734 518 HA LEU 66 HA LEU 66 7.247 -6.051 -1.676 519 HB2 LEU 66 2HB LEU 66 5.592 -6.270 0.217 520 HB3 LEU 66 1HB LEU 66 6.662 -5.267 1.177 521 HG LEU 66 HG LEU 66 6.354 -3.412 -0.390 522 HD11 LEU 66 1HD1 LEU 66 4.557 -3.608 -2.114 523 HD12 LEU 66 2HD1 LEU 66 4.565 -5.349 -1.840 524 HD13 LEU 66 3HD1 LEU 66 6.009 -4.546 -2.457 525 HD21 LEU 66 3HD2 LEU 66 4.864 -3.531 1.489 526 HD22 LEU 66 1HD2 LEU 66 3.803 -4.646 0.629 527 HD23 LEU 66 2HD2 LEU 66 3.965 -2.978 0.076 528 H TYR 67 H TYR 67 7.913 -3.820 -1.881 529 HA TYR 67 HA TYR 67 10.540 -3.358 -0.649 530 HB2 TYR 67 2HB TYR 67 9.440 -2.310 -3.271 531 HB3 TYR 67 1HB TYR 67 11.040 -1.965 -2.626 532 HD1 TYR 67 HD2 TYR 67 8.884 -4.610 -4.050 533 HD2 TYR 67 HD1 TYR 67 12.826 -3.526 -2.861 534 HE1 TYR 67 HE2 TYR 67 9.770 -6.604 -5.186 535 HE2 TYR 67 HE1 TYR 67 13.719 -5.514 -3.995 536 HH TYR 67 HH TYR 67 11.688 -7.565 -5.990 537 H LYS 68 H LYS 68 9.909 -2.221 1.168 538 HA LYS 68 HA LYS 68 7.923 -0.252 1.248 539 HB2 LYS 68 2HB LYS 68 8.731 0.332 3.403 540 HB3 LYS 68 1HB LYS 68 8.988 -1.398 3.228 541 HG2 LYS 68 2HG LYS 68 11.084 -1.016 3.915 542 HG3 LYS 68 1HG LYS 68 11.363 -0.296 2.326 543 HD2 LYS 68 2HD LYS 68 10.678 1.901 3.232 544 HD3 LYS 68 1HD LYS 68 10.475 1.161 4.823 545 HE2 LYS 68 2HE LYS 68 12.827 0.584 4.895 546 HE3 LYS 68 1HE LYS 68 13.057 1.191 3.257 547 HZ1 LYS 68 3HZ LYS 68 13.654 3.062 4.273 548 HZ2 LYS 68 1HZ LYS 68 12.955 2.625 5.749 549 HZ3 LYS 68 2HZ LYS 68 12.001 3.330 4.536 550 H GLU 69 H GLU 69 11.052 -0.180 -0.069 551 HA GLU 69 HA GLU 69 11.684 2.559 0.138 552 HB2 GLU 69 2HB GLU 69 12.423 0.716 -2.149 553 HB3 GLU 69 1HB GLU 69 13.253 2.189 -1.672 554 HG2 GLU 69 2HG GLU 69 13.159 -0.422 -0.183 555 HG3 GLU 69 1HG GLU 69 14.545 0.313 -0.977 556 H GLN 70 H GLN 70 9.699 0.692 -2.054 557 HA GLN 70 HA GLN 70 9.296 2.705 -4.014 558 HB2 GLN 70 2HB GLN 70 7.875 0.155 -3.303 559 HB3 GLN 70 1HB GLN 70 7.210 1.249 -4.509 560 HG2 GLN 70 2HG GLN 70 9.970 0.042 -4.647 561 HG3 GLN 70 1HG GLN 70 8.553 -0.593 -5.487 562 HE21 GLN 70 1HE2 GLN 70 7.596 0.679 -7.124 563 HE22 GLN 70 2HE2 GLN 70 8.515 1.881 -7.965 564 H GLU 71 H GLU 71 7.413 1.637 -1.203 565 HA GLU 71 HA GLU 71 5.286 3.475 -1.577 566 HB2 GLU 71 2HB GLU 71 6.228 2.200 0.999 567 HB3 GLU 71 1HB GLU 71 4.653 2.924 0.710 568 HG2 GLU 71 2HG GLU 71 3.866 1.114 -0.354 569 HG3 GLU 71 1HG GLU 71 5.407 0.773 -1.145 570 H GLU 72 H GLU 72 8.228 3.499 0.345 571 HA GLU 72 HA GLU 72 7.869 5.875 1.740 572 HB2 GLU 72 2HB GLU 72 9.700 4.040 1.922 573 HB3 GLU 72 1HB GLU 72 10.560 5.009 0.732 574 HG2 GLU 72 2HG GLU 72 10.770 6.816 2.204 575 HG3 GLU 72 1HG GLU 72 9.547 6.174 3.304 576 H GLN 73 H GLN 73 9.567 5.385 -1.368 577 HA GLN 73 HA GLN 73 10.271 8.062 -1.732 578 HB2 GLN 73 2HB GLN 73 10.767 7.518 -4.016 579 HB3 GLN 73 1HB GLN 73 11.244 6.168 -2.996 580 HG2 GLN 73 2HG GLN 73 9.326 4.903 -3.670 581 HG3 GLN 73 1HG GLN 73 8.669 6.282 -4.551 582 HE21 GLN 73 1HE2 GLN 73 8.607 5.115 -6.499 583 HE22 GLN 73 2HE2 GLN 73 10.044 4.750 -7.384 584 H LEU 74 H LEU 74 7.285 6.390 -2.724 585 HA LEU 74 HA LEU 74 6.341 8.679 -4.161 586 HB2 LEU 74 2HB LEU 74 4.354 7.484 -4.575 587 HB3 LEU 74 1HB LEU 74 5.651 6.311 -4.642 588 HG LEU 74 HG LEU 74 4.903 5.990 -2.076 589 HD11 LEU 74 1HD1 LEU 74 2.654 6.302 -1.688 590 HD12 LEU 74 2HD1 LEU 74 2.256 6.390 -3.403 591 HD13 LEU 74 3HD1 LEU 74 3.063 7.747 -2.614 592 HD21 LEU 74 3HD2 LEU 74 3.636 4.721 -4.504 593 HD22 LEU 74 1HD2 LEU 74 3.579 4.065 -2.865 594 HD23 LEU 74 2HD2 LEU 74 5.123 4.215 -3.704 595 H THR 75 H THR 75 6.065 7.491 -0.898 596 HA THR 75 HA THR 75 3.944 9.220 -0.121 597 HB THR 75 HB THR 75 6.023 7.874 1.622 598 HG1 THR 75 HG1 THR 75 4.824 6.349 0.457 599 HG21 THR 75 3HG2 THR 75 3.321 9.050 2.307 600 HG22 THR 75 1HG2 THR 75 4.891 9.685 2.802 601 HG23 THR 75 2HG2 THR 75 4.336 8.124 3.414 602 H GLU 76 H GLU 76 7.434 9.502 -0.250 603 HA GLU 76 HA GLU 76 7.918 11.634 1.425 604 HB2 GLU 76 2HB GLU 76 9.200 10.796 -1.158 605 HB3 GLU 76 1HB GLU 76 9.789 12.182 -0.248 606 HG2 GLU 76 2HG GLU 76 9.509 9.432 0.931 607 HG3 GLU 76 1HG GLU 76 10.986 10.026 0.175 608 H LEU 77 H LEU 77 6.409 11.710 -1.734 609 HA LEU 77 HA LEU 77 6.721 14.480 -2.223 610 HB2 LEU 77 2HB LEU 77 4.858 12.374 -3.248 611 HB3 LEU 77 1HB LEU 77 4.550 14.057 -3.624 612 HG LEU 77 HG LEU 77 7.001 14.074 -4.491 613 HD11 LEU 77 1HD1 LEU 77 7.627 11.886 -3.595 614 HD12 LEU 77 2HD1 LEU 77 7.767 11.925 -5.353 615 HD13 LEU 77 3HD1 LEU 77 6.392 11.122 -4.597 616 HD21 LEU 77 3HD2 LEU 77 5.046 14.356 -5.908 617 HD22 LEU 77 1HD2 LEU 77 4.807 12.610 -5.949 618 HD23 LEU 77 2HD2 LEU 77 6.236 13.323 -6.698 619 H ILE 78 H ILE 78 4.312 12.609 -0.494 620 HA ILE 78 HA ILE 78 2.785 15.037 0.105 621 HB ILE 78 HB ILE 78 2.003 12.280 1.000 622 HG12 ILE 78 2HG1 ILE 78 0.645 12.960 -1.421 623 HG13 ILE 78 1HG1 ILE 78 2.379 13.056 -1.717 624 HG21 ILE 78 1HG2 ILE 78 0.648 13.970 1.926 625 HG22 ILE 78 2HG2 ILE 78 -0.286 13.283 0.596 626 HG23 ILE 78 3HG2 ILE 78 0.538 14.830 0.389 627 HD11 ILE 78 3HD1 ILE 78 0.922 10.678 -0.583 628 HD12 ILE 78 1HD1 ILE 78 2.651 10.775 -0.923 629 HD13 ILE 78 2HD1 ILE 78 1.487 10.850 -2.243 630 H ALA 79 H ALA 79 5.070 12.896 1.499 631 HA ALA 79 HA ALA 79 4.430 13.014 4.210 632 HB1 ALA 79 1HB ALA 79 6.478 12.053 4.609 633 HB2 ALA 79 2HB ALA 79 7.274 12.958 3.321 634 HB3 ALA 79 3HB ALA 79 6.202 11.614 2.923 635 H SER 80 H SER 80 6.112 15.308 2.176 636 HA SER 80 HA SER 80 7.268 16.908 4.179 637 HB2 SER 80 2HB SER 80 6.749 18.625 2.093 638 HB3 SER 80 1HB SER 80 8.152 17.554 2.197 639 HG SER 80 HG SER 80 6.972 17.306 0.223 640 H LYS 81 H LYS 81 4.054 16.609 3.013 641 HA LYS 81 HA LYS 81 3.145 18.703 4.847 642 HB2 LYS 81 2HB LYS 81 1.366 19.237 3.045 643 HB3 LYS 81 1HB LYS 81 2.981 19.905 2.841 644 HG2 LYS 81 2HG LYS 81 3.485 17.936 1.337 645 HG3 LYS 81 1HG LYS 81 1.762 17.560 1.396 646 HD2 LYS 81 2HD LYS 81 1.273 19.814 0.510 647 HD3 LYS 81 1HD LYS 81 3.008 20.122 0.393 648 HE2 LYS 81 2HE LYS 81 1.532 17.905 -1.022 649 HE3 LYS 81 1HE LYS 81 2.007 19.436 -1.755 650 HZ1 LYS 81 3HZ LYS 81 3.565 17.639 -2.253 651 HZ2 LYS 81 1HZ LYS 81 3.892 17.446 -0.607 652 HZ3 LYS 81 2HZ LYS 81 4.316 18.883 -1.389 653 H LYS 82 H LYS 82 3.177 16.251 5.634 654 HA LYS 82 HA LYS 82 0.936 14.677 4.854 655 HB2 LYS 82 2HB LYS 82 1.558 13.187 6.716 656 HB3 LYS 82 1HB LYS 82 2.894 13.543 5.643 657 HG2 LYS 82 2HG LYS 82 3.661 15.245 7.349 658 HG3 LYS 82 1HG LYS 82 2.435 14.580 8.427 659 HD2 LYS 82 2HD LYS 82 3.469 12.403 8.331 660 HD3 LYS 82 1HD LYS 82 4.616 12.964 7.114 661 HE2 LYS 82 2HE LYS 82 5.622 14.491 8.719 662 HE3 LYS 82 1HE LYS 82 4.429 14.032 9.937 663 HZ1 LYS 82 3HZ LYS 82 6.568 12.906 10.231 664 HZ2 LYS 82 1HZ LYS 82 6.404 12.178 8.712 665 HZ3 LYS 82 2HZ LYS 82 5.312 11.807 9.953 666 H ASP 83 H ASP 83 -0.310 16.880 5.299 667 HA ASP 83 HA ASP 83 -1.302 17.125 7.992 668 HB2 ASP 83 2HB ASP 83 -1.262 19.092 6.513 669 HB3 ASP 83 1HB ASP 83 -2.349 18.279 5.391 670 H LEU 84 H LEU 84 -2.090 15.465 5.090 671 HA LEU 84 HA LEU 84 -4.746 14.705 5.734 672 HB2 LEU 84 2HB LEU 84 -2.822 13.269 3.902 673 HB3 LEU 84 1HB LEU 84 -4.566 13.144 3.893 674 HG LEU 84 HG LEU 84 -4.290 14.525 2.101 675 HD11 LEU 84 1HD1 LEU 84 -5.591 15.737 3.853 676 HD12 LEU 84 2HD1 LEU 84 -4.844 16.769 2.636 677 HD13 LEU 84 3HD1 LEU 84 -4.123 16.633 4.238 678 HD21 LEU 84 3HD2 LEU 84 -1.833 14.538 2.282 679 HD22 LEU 84 1HD2 LEU 84 -1.945 15.869 3.433 680 HD23 LEU 84 2HD2 LEU 84 -2.496 16.092 1.773 681 H PHE 85 H PHE 85 -5.473 12.619 6.390 682 HA PHE 85 HA PHE 85 -3.769 11.465 8.418 683 HB2 PHE 85 2HB PHE 85 -6.530 10.526 7.643 684 HB3 PHE 85 1HB PHE 85 -5.715 10.347 9.194 685 HD1 PHE 85 HD1 PHE 85 -5.287 12.404 10.582 686 HD2 PHE 85 HD2 PHE 85 -7.837 12.420 7.173 687 HE1 PHE 85 HE1 PHE 85 -6.314 14.500 11.359 688 HE2 PHE 85 HE2 PHE 85 -8.861 14.520 7.946 689 HZ PHE 85 HZ PHE 85 -8.098 15.558 10.043 690 H VAL 86 H VAL 86 -2.152 10.504 7.192 691 HA VAL 86 HA VAL 86 -2.951 8.242 5.506 692 HB VAL 86 HB VAL 86 -1.461 9.935 4.465 693 HG11 VAL 86 1HG1 VAL 86 -0.160 10.631 6.362 694 HG12 VAL 86 2HG1 VAL 86 0.918 9.997 5.120 695 HG13 VAL 86 3HG1 VAL 86 0.524 9.020 6.535 696 HG21 VAL 86 3HG2 VAL 86 -0.298 7.176 4.808 697 HG22 VAL 86 1HG2 VAL 86 0.196 8.328 3.567 698 HG23 VAL 86 2HG2 VAL 86 -1.452 7.700 3.583 699 H HIS 87 H HIS 87 -2.336 6.188 5.959 700 HA HIS 87 HA HIS 87 -0.381 5.601 8.007 701 HB2 HIS 87 2HB HIS 87 -3.278 5.461 8.548 702 HB3 HIS 87 1HB HIS 87 -2.369 4.017 8.984 703 HD1 HIS 87 HD1 HIS 87 0.018 4.819 10.368 704 HD2 HIS 87 HD2 HIS 87 -3.426 7.135 10.649 705 HE1 HIS 87 HE1 HIS 87 0.293 6.196 12.455 706 H SER 88 H SER 88 0.776 4.234 6.783 707 HA SER 88 HA SER 88 -0.623 2.148 5.267 708 HB2 SER 88 2HB SER 88 2.297 2.923 5.078 709 HB3 SER 88 1HB SER 88 1.363 1.960 3.933 710 HG SER 88 HG SER 88 1.479 4.008 3.113 711 H ILE 89 H ILE 89 0.176 -0.026 5.358 712 HA ILE 89 HA ILE 89 2.049 -0.754 7.415 713 HB ILE 89 HB ILE 89 0.090 -0.567 8.816 714 HG12 ILE 89 2HG1 ILE 89 0.490 -3.506 8.266 715 HG13 ILE 89 1HG1 ILE 89 1.709 -2.511 9.054 716 HG21 ILE 89 1HG2 ILE 89 -1.909 -1.981 8.419 717 HG22 ILE 89 2HG2 ILE 89 -1.255 -2.393 6.834 718 HG23 ILE 89 3HG2 ILE 89 -1.681 -0.722 7.205 719 HD11 ILE 89 3HD1 ILE 89 0.376 -3.751 10.666 720 HD12 ILE 89 1HD1 ILE 89 -1.087 -2.981 10.052 721 HD13 ILE 89 2HD1 ILE 89 0.151 -2.010 10.851 722 H ASP 90 H ASP 90 3.239 -2.229 6.522 723 HA ASP 90 HA ASP 90 2.061 -4.031 4.512 724 HB2 ASP 90 2HB ASP 90 4.191 -4.069 3.406 725 HB3 ASP 90 1HB ASP 90 3.839 -2.382 3.759 726 H SER 91 H SER 91 3.864 -5.969 4.326 727 HA SER 91 HA SER 91 4.444 -6.974 7.011 728 HB2 SER 91 2HB SER 91 3.092 -8.669 4.900 729 HB3 SER 91 1HB SER 91 3.408 -9.100 6.582 730 HG SER 91 HG SER 91 1.961 -6.795 6.292 731 H GLU 92 H GLU 92 6.570 -6.249 6.213 732 HA GLU 92 HA GLU 92 7.763 -7.780 4.062 733 HB2 GLU 92 2HB GLU 92 9.552 -6.286 4.165 734 HB3 GLU 92 1HB GLU 92 8.196 -5.283 4.664 735 HG2 GLU 92 2HG GLU 92 8.908 -6.016 7.067 736 HG3 GLU 92 1HG GLU 92 10.448 -6.370 6.288 737 H VAL 93 H VAL 93 9.981 -8.682 4.455 738 HA VAL 93 HA VAL 93 10.089 -10.128 7.010 739 HB VAL 93 HB VAL 93 9.442 -11.706 5.294 740 HG11 VAL 93 1HG1 VAL 93 10.149 -10.530 3.307 741 HG12 VAL 93 2HG1 VAL 93 10.864 -12.142 3.321 742 HG13 VAL 93 3HG1 VAL 93 11.843 -10.739 3.748 743 HG21 VAL 93 3HG2 VAL 93 11.044 -12.481 6.979 744 HG22 VAL 93 1HG2 VAL 93 12.375 -12.038 5.909 745 HG23 VAL 93 2HG2 VAL 93 11.255 -13.319 5.442 746 H ILE 94 H ILE 94 11.881 -9.780 8.127 747 HA ILE 94 HA ILE 94 13.991 -9.227 8.725 748 HB ILE 94 HB ILE 94 14.668 -9.520 5.790 749 HG12 ILE 94 2HG1 ILE 94 15.390 -11.475 7.946 750 HG13 ILE 94 1HG1 ILE 94 13.781 -11.525 7.235 751 HG21 ILE 94 1HG2 ILE 94 16.980 -9.621 6.472 752 HG22 ILE 94 2HG2 ILE 94 16.527 -9.470 8.168 753 HG23 ILE 94 3HG2 ILE 94 16.273 -8.118 7.063 754 HD11 ILE 94 3HD1 ILE 94 14.784 -11.829 5.023 755 HD12 ILE 94 1HD1 ILE 94 15.251 -13.103 6.149 756 HD13 ILE 94 2HD1 ILE 94 16.386 -11.813 5.759 757 H THR 95 H THR 95 13.192 -7.210 9.343 758 HA THR 95 HA THR 95 13.120 -4.979 7.564 759 HB THR 95 HB THR 95 13.341 -4.476 10.470 760 HG1 THR 95 HG1 THR 95 11.930 -5.953 10.992 761 HG21 THR 95 3HG2 THR 95 11.303 -3.693 8.385 762 HG22 THR 95 1HG2 THR 95 12.688 -2.723 8.884 763 HG23 THR 95 2HG2 THR 95 11.392 -3.068 10.031 764 H LYS 96 H LYS 96 14.545 -3.222 7.458 765 HA LYS 96 HA LYS 96 17.253 -3.792 8.444 766 HB2 LYS 96 2HB LYS 96 16.342 -1.953 6.221 767 HB3 LYS 96 1HB LYS 96 18.010 -2.181 6.718 768 HG2 LYS 96 2HG LYS 96 16.220 -4.338 5.612 769 HG3 LYS 96 1HG LYS 96 17.432 -3.451 4.693 770 HD2 LYS 96 2HD LYS 96 18.058 -5.091 7.143 771 HD3 LYS 96 1HD LYS 96 18.150 -5.719 5.500 772 HE2 LYS 96 2HE LYS 96 19.657 -3.260 6.345 773 HE3 LYS 96 1HE LYS 96 20.311 -4.879 6.572 774 HZ1 LYS 96 3HZ LYS 96 19.544 -3.638 3.991 775 HZ2 LYS 96 1HZ LYS 96 20.044 -5.241 4.168 776 HZ3 LYS 96 2HZ LYS 96 21.113 -3.977 4.518 777 H LYS 97 H LYS 97 18.538 -1.655 8.804 778 HA LYS 97 HA LYS 97 16.960 -0.055 10.680 779 HB2 LYS 97 2HB LYS 97 19.023 -1.239 11.456 780 HB3 LYS 97 1HB LYS 97 19.961 -0.214 10.380 781 HG2 LYS 97 2HG LYS 97 19.214 1.770 11.605 782 HG3 LYS 97 1HG LYS 97 18.275 0.743 12.691 783 HD2 LYS 97 2HD LYS 97 21.221 0.323 12.316 784 HD3 LYS 97 1HD LYS 97 20.612 1.532 13.446 785 HE2 LYS 97 2HE LYS 97 19.372 -0.189 14.641 786 HE3 LYS 97 1HE LYS 97 19.919 -1.407 13.489 787 HZ1 LYS 97 3HZ LYS 97 21.695 0.174 15.268 788 HZ2 LYS 97 1HZ LYS 97 22.180 -1.048 14.204 789 HZ3 LYS 97 2HZ LYS 97 21.214 -1.423 15.539 790 H GLU 98 H GLU 98 16.913 2.190 10.588 791 HA GLU 98 HA GLU 98 17.404 3.302 7.962 792 HB2 GLU 98 2HB GLU 98 16.281 4.625 10.441 793 HB3 GLU 98 1HB GLU 98 16.268 5.296 8.817 794 HG2 GLU 98 2HG GLU 98 14.771 3.583 8.064 795 HG3 GLU 98 1HG GLU 98 14.870 2.756 9.617 796 H ALA 99 H ALA 99 19.751 2.852 8.361 797 HA ALA 99 HA ALA 99 21.149 4.713 10.069 798 HB1 ALA 99 1HB ALA 99 23.143 3.608 9.329 799 HB2 ALA 99 2HB ALA 99 22.281 2.812 8.020 800 HB3 ALA 99 3HB ALA 99 21.931 2.385 9.694 801 H GLN 100 H GLN 100 20.110 6.565 8.961 802 HA GLN 100 HA GLN 100 21.845 7.509 6.802 803 HB2 GLN 100 2HB GLN 100 19.894 6.730 5.625 804 HB3 GLN 100 1HB GLN 100 18.822 7.531 6.764 805 HG2 GLN 100 2HG GLN 100 19.697 9.719 5.984 806 HG3 GLN 100 1HG GLN 100 20.667 8.864 4.785 807 HE21 GLN 100 1HE2 GLN 100 19.565 10.012 3.140 808 HE22 GLN 100 2HE2 GLN 100 17.959 9.570 2.664 809 H GLN 101 H GLN 101 22.268 9.703 6.870 810 HA GLN 101 HA GLN 101 21.479 11.033 9.341 811 HB2 GLN 101 2HB GLN 101 23.885 10.900 8.351 812 HB3 GLN 101 1HB GLN 101 23.340 12.197 7.293 813 HG2 GLN 101 2HG GLN 101 24.364 13.314 9.071 814 HG3 GLN 101 1HG GLN 101 22.643 13.404 9.452 815 HE21 GLN 101 1HE2 GLN 101 21.834 12.245 11.186 816 HE22 GLN 101 2HE2 GLN 101 22.862 11.523 12.373 817 H ILE 102 H ILE 102 19.266 11.258 8.575 818 HA ILE 102 HA ILE 102 18.921 13.432 6.624 819 HB ILE 102 HB ILE 102 17.735 11.455 5.935 820 HG12 ILE 102 2HG1 ILE 102 15.761 13.409 7.141 821 HG13 ILE 102 1HG1 ILE 102 16.597 13.627 5.608 822 HG21 ILE 102 1HG2 ILE 102 15.966 10.449 7.362 823 HG22 ILE 102 2HG2 ILE 102 16.519 11.464 8.693 824 HG23 ILE 102 3HG2 ILE 102 17.596 10.251 7.998 825 HD11 ILE 102 3HD1 ILE 102 14.685 11.394 6.244 826 HD12 ILE 102 1HD1 ILE 102 15.476 11.689 4.695 827 HD13 ILE 102 2HD1 ILE 102 14.300 12.845 5.318 828 H ARG 103 H ARG 103 17.984 15.318 7.236 829 HA ARG 103 HA ARG 103 16.614 15.453 9.799 830 HB2 ARG 103 2HB ARG 103 19.177 16.006 9.947 831 HB3 ARG 103 1HB ARG 103 18.692 17.535 9.222 832 HG2 ARG 103 2HG ARG 103 18.724 17.917 11.556 833 HG3 ARG 103 1HG ARG 103 17.018 17.743 11.127 834 HD2 ARG 103 2HD ARG 103 16.964 15.501 11.956 835 HD3 ARG 103 1HD ARG 103 18.712 15.476 12.164 836 HE ARG 103 HE ARG 103 17.284 17.492 13.701 837 HH11 ARG 103 1HH1 ARG 103 18.640 14.248 13.666 838 HH12 ARG 103 2HH1 ARG 103 18.746 14.150 15.393 839 HH21 ARG 103 1HH2 ARG 103 17.446 17.349 15.961 840 HH22 ARG 103 2HH2 ARG 103 18.077 15.907 16.696 841 H GLU 104 H GLU 104 14.765 16.507 9.477 842 HA GLU 104 HA GLU 104 14.467 18.185 7.109 843 HB2 GLU 104 2HB GLU 104 12.844 16.358 7.709 844 HB3 GLU 104 1HB GLU 104 12.363 17.318 9.097 845 HG2 GLU 104 2HG GLU 104 10.843 17.473 7.136 846 HG3 GLU 104 1HG GLU 104 11.454 19.018 7.716 847 H GLU 105 H GLU 105 15.913 18.967 9.631 848 HA GLU 105 HA GLU 105 14.287 21.178 10.599 849 HB2 GLU 105 2HB GLU 105 16.978 20.096 11.436 850 HB3 GLU 105 1HB GLU 105 16.308 21.588 12.082 851 HG2 GLU 105 2HG GLU 105 14.295 20.258 12.781 852 HG3 GLU 105 1HG GLU 105 15.210 18.811 12.363 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -21.716 -30.976 -10.317 2 HA2 GLY 1 1HA GLY 1 -22.611 -29.467 -11.847 3 HA3 GLY 1 2HA GLY 1 -23.552 -29.296 -10.372 4 H SER 2 H SER 2 -23.176 -27.353 -12.496 5 HA SER 2 HA SER 2 -21.325 -25.356 -11.722 6 HB2 SER 2 2HB SER 2 -23.860 -24.793 -13.228 7 HB3 SER 2 1HB SER 2 -22.266 -24.064 -13.437 8 HG SER 2 HG SER 2 -21.590 -25.806 -14.530 9 H HIS 3 H HIS 3 -21.413 -24.380 -9.801 10 HA HIS 3 HA HIS 3 -23.974 -23.229 -8.944 11 HB2 HIS 3 2HB HIS 3 -21.988 -24.671 -7.177 12 HB3 HIS 3 1HB HIS 3 -23.322 -23.700 -6.567 13 HD1 HIS 3 HD1 HIS 3 -25.773 -24.602 -7.626 14 HD2 HIS 3 HD2 HIS 3 -22.601 -27.274 -7.337 15 HE1 HIS 3 HE1 HIS 3 -26.805 -26.894 -7.733 16 H MET 4 H MET 4 -23.835 -21.219 -7.969 17 HA MET 4 HA MET 4 -21.568 -19.669 -8.718 18 HB2 MET 4 2HB MET 4 -22.748 -17.778 -7.874 19 HB3 MET 4 1HB MET 4 -23.932 -18.815 -8.653 20 HG2 MET 4 2HG MET 4 -23.439 -18.855 -5.694 21 HG3 MET 4 1HG MET 4 -24.596 -17.766 -6.457 22 HE1 MET 4 3HE MET 4 -26.216 -19.223 -8.581 23 HE2 MET 4 1HE MET 4 -26.888 -18.350 -7.202 24 HE3 MET 4 2HE MET 4 -27.466 -19.971 -7.587 25 H LYS 5 H LYS 5 -20.046 -18.640 -7.426 26 HA LYS 5 HA LYS 5 -19.417 -20.035 -4.962 27 HB2 LYS 5 2HB LYS 5 -17.949 -17.883 -6.503 28 HB3 LYS 5 1HB LYS 5 -17.346 -18.621 -5.029 29 HG2 LYS 5 2HG LYS 5 -17.920 -20.095 -7.594 30 HG3 LYS 5 1HG LYS 5 -16.328 -19.557 -7.058 31 HD2 LYS 5 2HD LYS 5 -16.776 -20.923 -4.942 32 HD3 LYS 5 1HD LYS 5 -18.106 -21.655 -5.840 33 HE2 LYS 5 2HE LYS 5 -16.238 -23.088 -6.102 34 HE3 LYS 5 1HE LYS 5 -16.440 -22.232 -7.627 35 HZ1 LYS 5 3HZ LYS 5 -14.119 -22.343 -6.925 36 HZ2 LYS 5 1HZ LYS 5 -14.491 -21.488 -5.515 37 HZ3 LYS 5 2HZ LYS 5 -14.658 -20.744 -7.024 38 H THR 6 H THR 6 -20.142 -19.343 -3.062 39 HA THR 6 HA THR 6 -21.587 -16.978 -2.686 40 HB THR 6 HB THR 6 -20.414 -17.866 -0.211 41 HG1 THR 6 HG1 THR 6 -21.672 -19.933 -1.721 42 HG21 THR 6 3HG2 THR 6 -22.847 -18.568 0.153 43 HG22 THR 6 1HG2 THR 6 -23.150 -17.904 -1.451 44 HG23 THR 6 2HG2 THR 6 -22.538 -16.862 -0.171 45 H LYS 7 H LYS 7 -18.396 -17.796 -1.335 46 HA LYS 7 HA LYS 7 -17.352 -15.188 -1.895 47 HB2 LYS 7 2HB LYS 7 -17.004 -14.484 0.406 48 HB3 LYS 7 1HB LYS 7 -18.718 -14.728 0.108 49 HG2 LYS 7 2HG LYS 7 -18.478 -17.004 1.162 50 HG3 LYS 7 1HG LYS 7 -16.853 -16.515 1.657 51 HD2 LYS 7 2HD LYS 7 -17.803 -14.599 2.862 52 HD3 LYS 7 1HD LYS 7 -19.420 -15.096 2.368 53 HE2 LYS 7 2HE LYS 7 -18.911 -17.314 3.523 54 HE3 LYS 7 1HE LYS 7 -17.531 -16.484 4.244 55 HZ1 LYS 7 3HZ LYS 7 -19.480 -16.455 5.683 56 HZ2 LYS 7 1HZ LYS 7 -20.367 -15.639 4.499 57 HZ3 LYS 7 2HZ LYS 7 -19.040 -14.891 5.229 58 H LYS 8 H LYS 8 -15.132 -15.013 -0.613 59 HA LYS 8 HA LYS 8 -13.880 -17.642 -0.391 60 HB2 LYS 8 2HB LYS 8 -11.939 -16.703 -1.780 61 HB3 LYS 8 1HB LYS 8 -13.378 -17.232 -2.640 62 HG2 LYS 8 2HG LYS 8 -13.652 -14.462 -1.966 63 HG3 LYS 8 1HG LYS 8 -12.109 -14.718 -2.786 64 HD2 LYS 8 2HD LYS 8 -13.242 -15.821 -4.631 65 HD3 LYS 8 1HD LYS 8 -14.791 -15.672 -3.800 66 HE2 LYS 8 2HE LYS 8 -13.203 -13.202 -4.299 67 HE3 LYS 8 1HE LYS 8 -14.047 -13.943 -5.658 68 HZ1 LYS 8 3HZ LYS 8 -15.378 -13.249 -3.100 69 HZ2 LYS 8 1HZ LYS 8 -16.113 -13.694 -4.558 70 HZ3 LYS 8 2HZ LYS 8 -15.319 -12.205 -4.423 71 H GLN 9 H GLN 9 -11.479 -17.301 0.305 72 HA GLN 9 HA GLN 9 -11.576 -15.547 2.620 73 HB2 GLN 9 2HB GLN 9 -9.320 -17.371 1.772 74 HB3 GLN 9 1HB GLN 9 -9.593 -16.680 3.364 75 HG2 GLN 9 2HG GLN 9 -11.197 -18.815 1.993 76 HG3 GLN 9 1HG GLN 9 -10.201 -18.972 3.437 77 HE21 GLN 9 1HE2 GLN 9 -13.324 -18.606 2.341 78 HE22 GLN 9 2HE2 GLN 9 -14.051 -18.047 3.805 79 H GLN 10 H GLN 10 -9.670 -15.955 -0.320 80 HA GLN 10 HA GLN 10 -8.115 -13.564 0.254 81 HB2 GLN 10 2HB GLN 10 -8.002 -15.682 -1.883 82 HB3 GLN 10 1HB GLN 10 -7.090 -14.186 -2.032 83 HG2 GLN 10 2HG GLN 10 -5.724 -14.690 -0.223 84 HG3 GLN 10 1HG GLN 10 -6.848 -15.888 0.415 85 HE21 GLN 10 1HE2 GLN 10 -4.445 -15.230 -2.044 86 HE22 GLN 10 2HE2 GLN 10 -4.137 -16.886 -2.444 87 H TYR 11 H TYR 11 -8.654 -11.625 -0.481 88 HA TYR 11 HA TYR 11 -9.974 -11.264 -3.002 89 HB2 TYR 11 2HB TYR 11 -11.923 -10.030 -2.049 90 HB3 TYR 11 1HB TYR 11 -11.943 -11.750 -1.687 91 HD1 TYR 11 HD1 TYR 11 -11.169 -8.415 -0.224 92 HD2 TYR 11 HD2 TYR 11 -12.054 -12.508 0.550 93 HE1 TYR 11 HE1 TYR 11 -11.435 -7.904 2.167 94 HE2 TYR 11 HE2 TYR 11 -12.322 -12.003 2.939 95 HH TYR 11 HH TYR 11 -11.893 -10.430 4.555 96 H VAL 12 H VAL 12 -10.685 -8.776 -3.053 97 HA VAL 12 HA VAL 12 -8.752 -7.113 -1.651 98 HB VAL 12 HB VAL 12 -7.563 -7.780 -3.682 99 HG11 VAL 12 1HG1 VAL 12 -9.428 -8.284 -5.138 100 HG12 VAL 12 2HG1 VAL 12 -8.378 -7.092 -5.901 101 HG13 VAL 12 3HG1 VAL 12 -9.900 -6.584 -5.170 102 HG21 VAL 12 3HG2 VAL 12 -7.161 -5.498 -4.631 103 HG22 VAL 12 1HG2 VAL 12 -7.049 -5.602 -2.873 104 HG23 VAL 12 2HG2 VAL 12 -8.490 -4.915 -3.625 105 H THR 13 H THR 13 -9.487 -5.079 -1.276 106 HA THR 13 HA THR 13 -11.932 -4.222 -2.644 107 HB THR 13 HB THR 13 -12.673 -5.143 -0.516 108 HG1 THR 13 HG1 THR 13 -13.555 -3.090 -1.382 109 HG21 THR 13 3HG2 THR 13 -10.626 -4.929 0.781 110 HG22 THR 13 1HG2 THR 13 -11.962 -4.145 1.623 111 HG23 THR 13 2HG2 THR 13 -10.770 -3.171 0.762 112 H ILE 14 H ILE 14 -11.943 -2.111 -3.223 113 HA ILE 14 HA ILE 14 -9.938 -0.302 -2.072 114 HB ILE 14 HB ILE 14 -10.418 -0.468 -5.048 115 HG12 ILE 14 2HG1 ILE 14 -7.992 -1.523 -3.582 116 HG13 ILE 14 1HG1 ILE 14 -9.310 -2.550 -4.127 117 HG21 ILE 14 1HG2 ILE 14 -8.586 1.024 -5.260 118 HG22 ILE 14 2HG2 ILE 14 -8.153 0.840 -3.561 119 HG23 ILE 14 3HG2 ILE 14 -9.638 1.682 -4.005 120 HD11 ILE 14 3HD1 ILE 14 -7.502 -2.652 -5.699 121 HD12 ILE 14 1HD1 ILE 14 -7.487 -0.895 -5.853 122 HD13 ILE 14 2HD1 ILE 14 -8.869 -1.820 -6.439 123 H LYS 15 H LYS 15 -10.891 1.577 -1.488 124 HA LYS 15 HA LYS 15 -13.092 2.578 -3.135 125 HB2 LYS 15 2HB LYS 15 -14.567 2.965 -1.351 126 HB3 LYS 15 1HB LYS 15 -13.975 1.334 -1.083 127 HG2 LYS 15 2HG LYS 15 -12.859 1.899 0.823 128 HG3 LYS 15 1HG LYS 15 -12.498 3.531 0.255 129 HD2 LYS 15 2HD LYS 15 -14.913 4.103 0.590 130 HD3 LYS 15 1HD LYS 15 -15.138 2.512 1.320 131 HE2 LYS 15 2HE LYS 15 -13.537 3.055 3.072 132 HE3 LYS 15 1HE LYS 15 -13.201 4.611 2.316 133 HZ1 LYS 15 3HZ LYS 15 -14.719 4.831 4.181 134 HZ2 LYS 15 1HZ LYS 15 -15.819 3.777 3.449 135 HZ3 LYS 15 2HZ LYS 15 -15.488 5.278 2.740 136 H GLY 16 H GLY 16 -13.052 4.720 -3.463 137 HA2 GLY 16 2HA GLY 16 -11.600 6.480 -1.665 138 HA3 GLY 16 1HA GLY 16 -10.890 6.286 -3.260 139 H THR 17 H THR 17 -14.338 6.247 -2.667 140 HA THR 17 HA THR 17 -14.581 8.591 -4.385 141 HB THR 17 HB THR 17 -15.886 6.670 -5.066 142 HG1 THR 17 HG1 THR 17 -17.250 8.142 -5.668 143 HG21 THR 17 3HG2 THR 17 -17.762 5.839 -3.675 144 HG22 THR 17 1HG2 THR 17 -17.180 6.841 -2.346 145 HG23 THR 17 2HG2 THR 17 -16.182 5.524 -2.959 146 H LYS 18 H LYS 18 -14.723 10.509 -3.460 147 HA LYS 18 HA LYS 18 -15.222 12.204 -2.029 148 HB2 LYS 18 2HB LYS 18 -17.490 10.345 -1.649 149 HB3 LYS 18 1HB LYS 18 -17.256 11.547 -0.392 150 HG2 LYS 18 2HG LYS 18 -17.300 13.304 -2.144 151 HG3 LYS 18 1HG LYS 18 -17.702 12.050 -3.319 152 HD2 LYS 18 2HD LYS 18 -19.684 11.475 -1.933 153 HD3 LYS 18 1HD LYS 18 -19.316 12.858 -0.903 154 HE2 LYS 18 2HE LYS 18 -21.005 13.492 -2.488 155 HE3 LYS 18 1HE LYS 18 -19.505 14.328 -2.890 156 HZ1 LYS 18 3HZ LYS 18 -20.379 11.815 -4.206 157 HZ2 LYS 18 1HZ LYS 18 -19.106 12.831 -4.666 158 HZ3 LYS 18 2HZ LYS 18 -20.704 13.356 -4.822 159 H ASN 19 H ASN 19 -13.597 9.742 -1.244 160 HA ASN 19 HA ASN 19 -13.306 10.425 1.599 161 HB2 ASN 19 2HB ASN 19 -13.454 7.711 0.307 162 HB3 ASN 19 1HB ASN 19 -12.533 7.925 1.784 163 HD21 ASN 19 1HD2 ASN 19 -14.515 10.022 2.673 164 HD22 ASN 19 2HD2 ASN 19 -15.868 9.098 3.239 165 H GLY 20 H GLY 20 -11.071 9.393 2.336 166 HA2 GLY 20 2HA GLY 20 -9.071 10.636 0.730 167 HA3 GLY 20 1HA GLY 20 -8.790 9.673 2.175 168 H LEU 21 H LEU 21 -8.643 7.380 1.975 169 HA LEU 21 HA LEU 21 -8.748 6.060 -0.530 170 HB2 LEU 21 2HB LEU 21 -6.711 7.330 -0.945 171 HB3 LEU 21 1HB LEU 21 -6.009 6.723 0.541 172 HG LEU 21 HG LEU 21 -6.166 4.408 -0.444 173 HD11 LEU 21 1HD1 LEU 21 -6.403 4.225 -2.855 174 HD12 LEU 21 2HD1 LEU 21 -6.704 5.960 -2.972 175 HD13 LEU 21 3HD1 LEU 21 -7.860 4.919 -2.142 176 HD21 LEU 21 3HD2 LEU 21 -4.418 5.583 -2.360 177 HD22 LEU 21 1HD2 LEU 21 -4.018 4.743 -0.861 178 HD23 LEU 21 2HD2 LEU 21 -4.303 6.484 -0.850 179 H THR 22 H THR 22 -9.597 4.223 0.230 180 HA THR 22 HA THR 22 -8.186 2.879 2.433 181 HB THR 22 HB THR 22 -11.153 2.589 2.049 182 HG1 THR 22 HG1 THR 22 -9.754 4.759 3.036 183 HG21 THR 22 3HG2 THR 22 -9.952 0.960 3.466 184 HG22 THR 22 1HG2 THR 22 -11.079 1.940 4.403 185 HG23 THR 22 2HG2 THR 22 -9.350 2.286 4.459 186 H LEU 23 H LEU 23 -7.251 1.106 1.621 187 HA LEU 23 HA LEU 23 -8.827 -0.634 -0.112 188 HB2 LEU 23 2HB LEU 23 -6.994 -0.964 -1.666 189 HB3 LEU 23 1HB LEU 23 -7.473 0.721 -1.633 190 HG LEU 23 HG LEU 23 -5.185 -0.120 0.086 191 HD11 LEU 23 1HD1 LEU 23 -5.043 0.245 -2.904 192 HD12 LEU 23 2HD1 LEU 23 -4.659 -1.215 -1.994 193 HD13 LEU 23 3HD1 LEU 23 -3.651 0.220 -1.823 194 HD21 LEU 23 3HD2 LEU 23 -4.394 2.113 -0.468 195 HD22 LEU 23 1HD2 LEU 23 -6.040 2.175 0.156 196 HD23 LEU 23 2HD2 LEU 23 -5.746 2.335 -1.574 197 H HIS 24 H HIS 24 -8.115 -2.811 -0.140 198 HA HIS 24 HA HIS 24 -6.028 -3.580 1.725 199 HB2 HIS 24 2HB HIS 24 -7.960 -3.350 3.195 200 HB3 HIS 24 1HB HIS 24 -8.920 -4.379 2.138 201 HD1 HIS 24 HD1 HIS 24 -6.592 -4.471 4.968 202 HD2 HIS 24 HD2 HIS 24 -8.100 -7.157 2.180 203 HE1 HIS 24 HE1 HIS 24 -6.080 -6.758 5.881 204 H LEU 25 H LEU 25 -4.966 -5.292 0.952 205 HA LEU 25 HA LEU 25 -6.344 -7.084 -0.939 206 HB2 LEU 25 2HB LEU 25 -4.771 -5.780 -2.198 207 HB3 LEU 25 1HB LEU 25 -3.513 -6.036 -1.004 208 HG LEU 25 HG LEU 25 -3.508 -8.458 -1.609 209 HD11 LEU 25 1HD1 LEU 25 -4.557 -9.101 -3.743 210 HD12 LEU 25 2HD1 LEU 25 -5.350 -7.528 -3.804 211 HD13 LEU 25 3HD1 LEU 25 -5.739 -8.660 -2.509 212 HD21 LEU 25 3HD2 LEU 25 -2.275 -8.167 -3.672 213 HD22 LEU 25 1HD2 LEU 25 -1.894 -6.860 -2.552 214 HD23 LEU 25 2HD2 LEU 25 -2.990 -6.570 -3.903 215 H ASP 26 H ASP 26 -6.308 -9.198 -0.378 216 HA ASP 26 HA ASP 26 -4.525 -9.958 1.845 217 HB2 ASP 26 2HB ASP 26 -7.313 -10.055 1.716 218 HB3 ASP 26 1HB ASP 26 -6.796 -11.721 1.476 219 H ASP 27 H ASP 27 -2.839 -10.968 0.907 220 HA ASP 27 HA ASP 27 -3.220 -13.534 -0.290 221 HB2 ASP 27 2HB ASP 27 -3.555 -11.698 -2.176 222 HB3 ASP 27 1HB ASP 27 -1.795 -11.646 -2.136 223 H ALA 28 H ALA 28 -0.714 -13.806 -1.519 224 HA ALA 28 HA ALA 28 1.363 -12.698 0.122 225 HB1 ALA 28 1HB ALA 28 0.879 -14.208 1.795 226 HB2 ALA 28 2HB ALA 28 2.067 -15.106 0.849 227 HB3 ALA 28 3HB ALA 28 0.347 -15.455 0.663 228 H CYS 29 H CYS 29 3.378 -13.005 -0.785 229 HA CYS 29 HA CYS 29 4.879 -13.302 -2.458 230 HB2 CYS 29 2HB CYS 29 3.417 -15.913 -2.439 231 HB3 CYS 29 1HB CYS 29 4.557 -15.591 -3.740 232 HG CYS 29 HG CYS 29 6.005 -14.810 -0.916 233 H SER 30 H SER 30 2.463 -11.861 -3.014 234 HA SER 30 HA SER 30 2.298 -12.253 -5.920 235 HB2 SER 30 2HB SER 30 0.124 -11.342 -4.020 236 HB3 SER 30 1HB SER 30 -0.009 -11.303 -5.780 237 HG SER 30 HG SER 30 -0.252 -13.420 -4.046 238 H PHE 31 H PHE 31 1.977 -10.313 -7.157 239 HA PHE 31 HA PHE 31 3.533 -8.129 -6.094 240 HB2 PHE 31 2HB PHE 31 2.785 -7.311 -8.591 241 HB3 PHE 31 1HB PHE 31 4.226 -8.251 -8.235 242 HD1 PHE 31 HD1 PHE 31 0.690 -8.526 -9.301 243 HD2 PHE 31 HD2 PHE 31 4.492 -10.425 -9.069 244 HE1 PHE 31 HE1 PHE 31 -0.126 -10.338 -10.748 245 HE2 PHE 31 HE2 PHE 31 3.677 -12.235 -10.515 246 HZ PHE 31 HZ PHE 31 1.366 -12.194 -11.357 247 H ASP 32 H ASP 32 2.880 -5.908 -6.253 248 HA ASP 32 HA ASP 32 0.019 -5.551 -5.666 249 HB2 ASP 32 2HB ASP 32 0.670 -3.600 -4.407 250 HB3 ASP 32 1HB ASP 32 1.731 -4.926 -3.925 251 H GLU 33 H GLU 33 1.540 -5.539 -8.338 252 HA GLU 33 HA GLU 33 1.733 -2.997 -9.393 253 HB2 GLU 33 2HB GLU 33 1.490 -4.031 -11.606 254 HB3 GLU 33 1HB GLU 33 2.588 -4.930 -10.571 255 HG2 GLU 33 2HG GLU 33 0.892 -6.604 -10.169 256 HG3 GLU 33 1HG GLU 33 -0.288 -5.665 -11.086 257 H LEU 34 H LEU 34 -1.166 -5.044 -9.213 258 HA LEU 34 HA LEU 34 -2.731 -2.995 -10.551 259 HB2 LEU 34 2HB LEU 34 -3.071 -5.819 -9.947 260 HB3 LEU 34 1HB LEU 34 -4.507 -4.890 -9.566 261 HG LEU 34 HG LEU 34 -4.681 -5.766 -11.813 262 HD11 LEU 34 1HD1 LEU 34 -5.361 -3.339 -11.169 263 HD12 LEU 34 2HD1 LEU 34 -5.411 -3.848 -12.855 264 HD13 LEU 34 3HD1 LEU 34 -4.057 -2.884 -12.265 265 HD21 LEU 34 3HD2 LEU 34 -2.300 -6.032 -12.284 266 HD22 LEU 34 1HD2 LEU 34 -2.119 -4.280 -12.383 267 HD23 LEU 34 2HD2 LEU 34 -3.107 -5.131 -13.569 268 H LEU 35 H LEU 35 -1.569 -3.262 -7.554 269 HA LEU 35 HA LEU 35 -3.983 -2.227 -6.242 270 HB2 LEU 35 2HB LEU 35 -2.589 -4.167 -5.278 271 HB3 LEU 35 1HB LEU 35 -1.403 -2.941 -4.872 272 HG LEU 35 HG LEU 35 -3.302 -1.761 -3.618 273 HD11 LEU 35 1HD1 LEU 35 -5.069 -3.309 -2.808 274 HD12 LEU 35 2HD1 LEU 35 -4.532 -4.478 -4.015 275 HD13 LEU 35 3HD1 LEU 35 -5.184 -2.920 -4.524 276 HD21 LEU 35 3HD2 LEU 35 -1.481 -2.832 -2.463 277 HD22 LEU 35 1HD2 LEU 35 -2.232 -4.412 -2.669 278 HD23 LEU 35 2HD2 LEU 35 -2.996 -3.201 -1.641 279 H ASP 36 H ASP 36 -0.501 -1.600 -6.538 280 HA ASP 36 HA ASP 36 -0.438 0.906 -5.333 281 HB2 ASP 36 2HB ASP 36 1.645 -0.118 -5.754 282 HB3 ASP 36 1HB ASP 36 1.291 -0.333 -7.465 283 H GLY 37 H GLY 37 -0.871 0.068 -8.750 284 HA2 GLY 37 2HA GLY 37 -0.978 2.602 -9.853 285 HA3 GLY 37 1HA GLY 37 -1.842 1.213 -10.486 286 H LEU 38 H LEU 38 -3.421 0.967 -7.979 287 HA LEU 38 HA LEU 38 -5.521 2.783 -8.762 288 HB2 LEU 38 2HB LEU 38 -5.362 0.290 -7.351 289 HB3 LEU 38 1HB LEU 38 -6.218 1.453 -6.358 290 HG LEU 38 HG LEU 38 -7.737 0.106 -7.744 291 HD11 LEU 38 1HD1 LEU 38 -9.044 1.941 -8.659 292 HD12 LEU 38 2HD1 LEU 38 -7.647 3.011 -8.539 293 HD13 LEU 38 3HD1 LEU 38 -8.389 2.362 -7.077 294 HD21 LEU 38 3HD2 LEU 38 -6.216 -0.242 -9.643 295 HD22 LEU 38 1HD2 LEU 38 -6.400 1.455 -10.085 296 HD23 LEU 38 2HD2 LEU 38 -7.790 0.370 -10.150 297 H GLN 39 H GLN 39 -3.825 2.117 -5.694 298 HA GLN 39 HA GLN 39 -4.923 4.302 -4.308 299 HB2 GLN 39 2HB GLN 39 -3.198 3.900 -2.632 300 HB3 GLN 39 1HB GLN 39 -3.901 2.384 -3.174 301 HG2 GLN 39 2HG GLN 39 -1.825 1.669 -3.432 302 HG3 GLN 39 1HG GLN 39 -1.747 2.717 -4.848 303 HE21 GLN 39 1HE2 GLN 39 0.459 3.115 -4.625 304 HE22 GLN 39 2HE2 GLN 39 1.086 4.101 -3.350 305 H ASN 40 H ASN 40 -2.062 4.002 -6.290 306 HA ASN 40 HA ASN 40 -0.814 6.427 -5.589 307 HB2 ASN 40 2HB ASN 40 -0.039 4.342 -7.054 308 HB3 ASN 40 1HB ASN 40 -0.564 5.381 -8.369 309 HD21 ASN 40 1HD2 ASN 40 2.107 4.399 -6.997 310 HD22 ASN 40 2HD2 ASN 40 3.071 5.837 -7.063 311 H MET 41 H MET 41 -2.885 5.641 -8.381 312 HA MET 41 HA MET 41 -2.956 8.281 -9.385 313 HB2 MET 41 2HB MET 41 -3.442 6.306 -10.766 314 HB3 MET 41 1HB MET 41 -4.905 6.019 -9.837 315 HG2 MET 41 2HG MET 41 -5.816 8.143 -10.599 316 HG3 MET 41 1HG MET 41 -4.353 8.443 -11.533 317 HE1 MET 41 3HE MET 41 -7.289 7.654 -14.117 318 HE2 MET 41 1HE MET 41 -6.099 8.866 -13.641 319 HE3 MET 41 2HE MET 41 -7.424 8.452 -12.551 320 H LEU 42 H LEU 42 -5.165 6.508 -7.243 321 HA LEU 42 HA LEU 42 -7.239 8.387 -7.224 322 HB2 LEU 42 2HB LEU 42 -6.358 6.265 -5.318 323 HB3 LEU 42 1HB LEU 42 -7.626 7.378 -4.842 324 HG LEU 42 HG LEU 42 -7.722 5.623 -7.299 325 HD11 LEU 42 1HD1 LEU 42 -7.793 4.270 -5.284 326 HD12 LEU 42 2HD1 LEU 42 -9.379 4.317 -6.052 327 HD13 LEU 42 3HD1 LEU 42 -9.067 5.294 -4.619 328 HD21 LEU 42 3HD2 LEU 42 -9.058 7.592 -7.607 329 HD22 LEU 42 1HD2 LEU 42 -9.763 7.423 -5.998 330 HD23 LEU 42 2HD2 LEU 42 -10.134 6.243 -7.255 331 H SER 43 H SER 43 -4.378 8.154 -5.137 332 HA SER 43 HA SER 43 -5.087 10.262 -3.399 333 HB2 SER 43 2HB SER 43 -2.299 9.324 -4.108 334 HB3 SER 43 1HB SER 43 -2.783 10.189 -2.649 335 HG SER 43 HG SER 43 -3.250 7.522 -3.391 336 H ILE 44 H ILE 44 -4.080 10.326 -6.643 337 HA ILE 44 HA ILE 44 -3.040 13.052 -6.416 338 HB ILE 44 HB ILE 44 -3.114 11.262 -8.846 339 HG12 ILE 44 2HG1 ILE 44 -0.725 11.931 -7.125 340 HG13 ILE 44 1HG1 ILE 44 -1.678 10.467 -6.909 341 HG21 ILE 44 1HG2 ILE 44 -1.599 13.821 -8.351 342 HG22 ILE 44 2HG2 ILE 44 -3.034 13.660 -9.361 343 HG23 ILE 44 3HG2 ILE 44 -1.540 12.838 -9.813 344 HD11 ILE 44 3HD1 ILE 44 -1.108 9.735 -9.148 345 HD12 ILE 44 1HD1 ILE 44 0.353 10.073 -8.219 346 HD13 ILE 44 2HD1 ILE 44 -0.212 11.227 -9.426 347 H GLU 45 H GLU 45 -5.579 11.195 -8.076 348 HA GLU 45 HA GLU 45 -6.634 13.489 -9.405 349 HB2 GLU 45 2HB GLU 45 -8.436 12.064 -10.142 350 HB3 GLU 45 1HB GLU 45 -6.909 11.212 -10.309 351 HG2 GLU 45 2HG GLU 45 -7.403 9.721 -8.630 352 HG3 GLU 45 1HG GLU 45 -8.551 10.811 -7.853 353 H GLN 46 H GLN 46 -7.413 11.858 -6.357 354 HA GLN 46 HA GLN 46 -8.848 14.200 -5.509 355 HB2 GLN 46 2HB GLN 46 -10.594 13.116 -6.826 356 HB3 GLN 46 1HB GLN 46 -10.367 11.620 -5.935 357 HG2 GLN 46 2HG GLN 46 -10.878 13.633 -4.021 358 HG3 GLN 46 1HG GLN 46 -12.061 13.845 -5.310 359 HE21 GLN 46 1HE2 GLN 46 -10.526 10.982 -3.850 360 HE22 GLN 46 2HE2 GLN 46 -12.009 10.171 -3.482 361 H TYR 47 H TYR 47 -7.525 14.292 -3.737 362 HA TYR 47 HA TYR 47 -7.793 12.061 -1.838 363 HB2 TYR 47 2HB TYR 47 -5.671 12.636 -0.889 364 HB3 TYR 47 1HB TYR 47 -5.455 12.558 -2.630 365 HD1 TYR 47 HD1 TYR 47 -5.265 14.703 -3.933 366 HD2 TYR 47 HD2 TYR 47 -5.219 14.616 0.319 367 HE1 TYR 47 HE1 TYR 47 -4.263 16.949 -3.901 368 HE2 TYR 47 HE2 TYR 47 -4.221 16.864 0.364 369 HH TYR 47 HH TYR 47 -3.823 18.764 -2.562 370 H THR 48 H THR 48 -9.232 14.753 -2.518 371 HA THR 48 HA THR 48 -9.206 15.987 0.114 372 HB THR 48 HB THR 48 -10.949 17.002 -2.076 373 HG1 THR 48 HG1 THR 48 -9.030 18.120 -2.898 374 HG21 THR 48 3HG2 THR 48 -10.860 18.100 0.126 375 HG22 THR 48 1HG2 THR 48 -10.267 19.152 -1.158 376 HG23 THR 48 2HG2 THR 48 -9.126 18.351 -0.080 377 H ASP 49 H ASP 49 -10.305 14.453 1.320 378 HA ASP 49 HA ASP 49 -12.832 13.380 0.593 379 HB2 ASP 49 2HB ASP 49 -11.571 12.141 2.166 380 HB3 ASP 49 1HB ASP 49 -11.301 13.549 3.186 381 H GLY 50 H GLY 50 -11.917 15.894 2.966 382 HA2 GLY 50 2HA GLY 50 -13.170 18.015 2.860 383 HA3 GLY 50 1HA GLY 50 -14.606 17.047 2.560 384 H LYS 51 H LYS 51 -13.752 15.062 4.590 385 HA LYS 51 HA LYS 51 -14.442 16.622 7.001 386 HB2 LYS 51 2HB LYS 51 -15.206 13.763 6.371 387 HB3 LYS 51 1HB LYS 51 -15.717 14.698 7.769 388 HG2 LYS 51 2HG LYS 51 -17.481 15.430 6.657 389 HG3 LYS 51 1HG LYS 51 -16.437 16.145 5.431 390 HD2 LYS 51 2HD LYS 51 -17.089 13.214 5.362 391 HD3 LYS 51 1HD LYS 51 -18.219 14.405 4.721 392 HE2 LYS 51 2HE LYS 51 -16.849 14.994 2.995 393 HE3 LYS 51 1HE LYS 51 -15.379 14.568 3.865 394 HZ1 LYS 51 3HZ LYS 51 -16.448 13.100 1.911 395 HZ2 LYS 51 1HZ LYS 51 -17.136 12.348 3.260 396 HZ3 LYS 51 2HZ LYS 51 -15.452 12.465 3.122 397 H GLY 52 H GLY 52 -12.973 13.584 5.879 398 HA2 GLY 52 2HA GLY 52 -10.640 13.950 7.492 399 HA3 GLY 52 1HA GLY 52 -11.723 12.746 8.187 400 H GLN 53 H GLN 53 -9.871 13.606 5.329 401 HA GLN 53 HA GLN 53 -10.305 11.264 3.856 402 HB2 GLN 53 2HB GLN 53 -7.963 11.886 2.854 403 HB3 GLN 53 1HB GLN 53 -9.363 12.900 2.545 404 HG2 GLN 53 2HG GLN 53 -7.727 13.577 4.907 405 HG3 GLN 53 1HG GLN 53 -7.002 13.845 3.324 406 HE21 GLN 53 1HE2 GLN 53 -7.842 15.386 1.965 407 HE22 GLN 53 2HE2 GLN 53 -8.959 16.593 2.509 408 H LYS 54 H LYS 54 -10.094 9.382 4.886 409 HA LYS 54 HA LYS 54 -7.718 8.773 6.414 410 HB2 LYS 54 2HB LYS 54 -10.119 8.003 6.973 411 HB3 LYS 54 1HB LYS 54 -9.894 6.819 5.696 412 HG2 LYS 54 2HG LYS 54 -7.843 6.039 6.910 413 HG3 LYS 54 1HG LYS 54 -8.330 7.081 8.247 414 HD2 LYS 54 2HD LYS 54 -9.994 4.855 7.074 415 HD3 LYS 54 1HD LYS 54 -9.044 4.740 8.555 416 HE2 LYS 54 2HE LYS 54 -10.438 6.842 9.261 417 HE3 LYS 54 1HE LYS 54 -11.556 6.271 8.020 418 HZ1 LYS 54 3HZ LYS 54 -11.522 4.079 9.183 419 HZ2 LYS 54 1HZ LYS 54 -12.214 5.333 10.083 420 HZ3 LYS 54 2HZ LYS 54 -10.652 4.807 10.435 421 H ILE 55 H ILE 55 -5.980 8.526 5.142 422 HA ILE 55 HA ILE 55 -6.211 6.851 2.738 423 HB ILE 55 HB ILE 55 -3.876 8.605 3.540 424 HG12 ILE 55 2HG1 ILE 55 -6.157 9.233 1.648 425 HG13 ILE 55 1HG1 ILE 55 -5.900 9.968 3.226 426 HG21 ILE 55 1HG2 ILE 55 -3.823 6.602 1.773 427 HG22 ILE 55 2HG2 ILE 55 -2.893 8.083 1.559 428 HG23 ILE 55 3HG2 ILE 55 -4.431 7.883 0.721 429 HD11 ILE 55 3HD1 ILE 55 -4.141 10.233 0.800 430 HD12 ILE 55 1HD1 ILE 55 -3.763 10.888 2.391 431 HD13 ILE 55 2HD1 ILE 55 -5.172 11.476 1.512 432 H SER 56 H SER 56 -6.352 4.973 4.167 433 HA SER 56 HA SER 56 -3.770 4.269 5.385 434 HB2 SER 56 2HB SER 56 -6.518 3.188 6.044 435 HB3 SER 56 1HB SER 56 -5.011 2.771 6.864 436 HG SER 56 HG SER 56 -4.904 5.200 7.175 437 H VAL 57 H VAL 57 -2.725 3.278 3.725 438 HA VAL 57 HA VAL 57 -4.025 1.242 2.132 439 HB VAL 57 HB VAL 57 -1.074 1.894 2.240 440 HG11 VAL 57 1HG1 VAL 57 -2.778 0.560 0.145 441 HG12 VAL 57 2HG1 VAL 57 -1.545 -0.202 1.150 442 HG13 VAL 57 3HG1 VAL 57 -1.081 0.994 -0.061 443 HG21 VAL 57 3HG2 VAL 57 -2.931 3.746 1.613 444 HG22 VAL 57 1HG2 VAL 57 -2.695 2.990 0.037 445 HG23 VAL 57 2HG2 VAL 57 -1.322 3.687 0.895 446 H HIS 58 H HIS 58 -4.626 -0.318 3.634 447 HA HIS 58 HA HIS 58 -2.490 -1.555 5.215 448 HB2 HIS 58 2HB HIS 58 -5.497 -1.666 5.406 449 HB3 HIS 58 1HB HIS 58 -4.463 -2.789 6.282 450 HD1 HIS 58 HD1 HIS 58 -5.813 -1.501 8.327 451 HD2 HIS 58 HD2 HIS 58 -2.822 0.614 6.355 452 HE1 HIS 58 HE1 HIS 58 -5.186 0.382 9.867 453 H VAL 59 H VAL 59 -1.430 -2.942 3.915 454 HA VAL 59 HA VAL 59 -2.994 -4.782 2.244 455 HB VAL 59 HB VAL 59 -0.019 -4.831 2.158 456 HG11 VAL 59 1HG1 VAL 59 -2.096 -4.858 -0.023 457 HG12 VAL 59 2HG1 VAL 59 -1.461 -6.295 0.776 458 HG13 VAL 59 3HG1 VAL 59 -0.388 -5.270 -0.176 459 HG21 VAL 59 3HG2 VAL 59 -0.086 -2.940 0.466 460 HG22 VAL 59 1HG2 VAL 59 -0.244 -2.473 2.159 461 HG23 VAL 59 2HG2 VAL 59 -1.670 -2.536 1.127 462 H LYS 60 H LYS 60 -2.546 -7.056 2.320 463 HA LYS 60 HA LYS 60 -1.170 -7.936 4.751 464 HB2 LYS 60 2HB LYS 60 -3.893 -7.924 4.593 465 HB3 LYS 60 1HB LYS 60 -3.525 -9.537 4.001 466 HG2 LYS 60 2HG LYS 60 -3.908 -9.619 6.372 467 HG3 LYS 60 1HG LYS 60 -2.215 -9.969 6.034 468 HD2 LYS 60 2HD LYS 60 -2.118 -8.516 7.843 469 HD3 LYS 60 1HD LYS 60 -1.829 -7.459 6.466 470 HE2 LYS 60 2HE LYS 60 -3.354 -6.338 7.886 471 HE3 LYS 60 1HE LYS 60 -4.276 -6.913 6.501 472 HZ1 LYS 60 3HZ LYS 60 -4.153 -8.215 9.166 473 HZ2 LYS 60 1HZ LYS 60 -5.041 -8.781 7.842 474 HZ3 LYS 60 2HZ LYS 60 -5.449 -7.309 8.569 475 H LEU 61 H LEU 61 0.473 -8.197 3.067 476 HA LEU 61 HA LEU 61 0.113 -10.661 1.496 477 HB2 LEU 61 2HB LEU 61 2.155 -8.444 1.248 478 HB3 LEU 61 1HB LEU 61 2.132 -9.895 0.262 479 HG LEU 61 HG LEU 61 -0.255 -8.082 0.317 480 HD11 LEU 61 1HD1 LEU 61 1.550 -6.584 -0.166 481 HD12 LEU 61 2HD1 LEU 61 0.705 -6.947 -1.674 482 HD13 LEU 61 3HD1 LEU 61 2.249 -7.724 -1.316 483 HD21 LEU 61 3HD2 LEU 61 -0.428 -10.296 -0.735 484 HD22 LEU 61 1HD2 LEU 61 0.912 -9.882 -1.804 485 HD23 LEU 61 2HD2 LEU 61 -0.605 -8.990 -1.906 486 H GLY 62 H GLY 62 2.498 -8.926 3.468 487 HA2 GLY 62 2HA GLY 62 3.799 -9.771 5.195 488 HA3 GLY 62 1HA GLY 62 3.228 -11.386 4.814 489 H ASN 63 H ASN 63 4.205 -12.536 3.115 490 HA ASN 63 HA ASN 63 7.037 -11.963 2.880 491 HB2 ASN 63 2HB ASN 63 7.171 -14.200 1.859 492 HB3 ASN 63 1HB ASN 63 6.310 -14.242 3.392 493 HD21 ASN 63 1HD2 ASN 63 6.054 -16.302 1.667 494 HD22 ASN 63 2HD2 ASN 63 4.465 -16.318 0.982 495 H ARG 64 H ARG 64 5.660 -10.026 1.589 496 HA ARG 64 HA ARG 64 5.426 -10.655 -1.218 497 HB2 ARG 64 2HB ARG 64 4.358 -8.660 -1.451 498 HB3 ARG 64 1HB ARG 64 4.138 -8.857 0.277 499 HG2 ARG 64 2HG ARG 64 6.528 -7.387 -0.717 500 HG3 ARG 64 1HG ARG 64 4.954 -6.593 -0.734 501 HD2 ARG 64 2HD ARG 64 4.715 -6.865 1.625 502 HD3 ARG 64 1HD ARG 64 6.147 -7.895 1.705 503 HE ARG 64 HE ARG 64 6.996 -5.492 0.644 504 HH11 ARG 64 1HH1 ARG 64 5.358 -6.452 3.583 505 HH12 ARG 64 2HH1 ARG 64 6.154 -5.246 4.555 506 HH21 ARG 64 1HH2 ARG 64 8.035 -3.903 1.916 507 HH22 ARG 64 2HH2 ARG 64 7.664 -3.793 3.606 508 H PHE 65 H PHE 65 7.863 -9.511 0.902 509 HA PHE 65 HA PHE 65 9.978 -8.709 0.634 510 HB2 PHE 65 2HB PHE 65 9.819 -11.092 -0.564 511 HB3 PHE 65 1HB PHE 65 10.249 -10.123 -1.968 512 HD1 PHE 65 HD2 PHE 65 11.311 -10.409 1.603 513 HD2 PHE 65 HD1 PHE 65 12.480 -10.059 -2.476 514 HE1 PHE 65 HE2 PHE 65 13.676 -10.503 2.278 515 HE2 PHE 65 HE1 PHE 65 14.847 -10.154 -1.807 516 HZ PHE 65 HZ PHE 65 15.445 -10.376 0.567 517 H LEU 66 H LEU 66 8.280 -6.780 -0.148 518 HA LEU 66 HA LEU 66 9.210 -5.817 -2.749 519 HB2 LEU 66 2HB LEU 66 6.751 -5.857 -2.196 520 HB3 LEU 66 1HB LEU 66 7.067 -4.619 -0.997 521 HG LEU 66 HG LEU 66 8.061 -3.274 -2.979 522 HD11 LEU 66 1HD1 LEU 66 8.047 -5.153 -4.569 523 HD12 LEU 66 2HD1 LEU 66 7.101 -3.781 -5.142 524 HD13 LEU 66 3HD1 LEU 66 6.287 -5.200 -4.480 525 HD21 LEU 66 3HD2 LEU 66 5.846 -2.368 -3.501 526 HD22 LEU 66 1HD2 LEU 66 6.041 -2.656 -1.772 527 HD23 LEU 66 2HD2 LEU 66 5.098 -3.778 -2.751 528 H TYR 67 H TYR 67 10.430 -4.030 -2.968 529 HA TYR 67 HA TYR 67 11.978 -3.128 -0.779 530 HB2 TYR 67 2HB TYR 67 11.675 -1.854 -3.501 531 HB3 TYR 67 1HB TYR 67 13.008 -1.616 -2.376 532 HD1 TYR 67 HD1 TYR 67 14.676 -3.376 -2.045 533 HD2 TYR 67 HD2 TYR 67 11.530 -3.828 -4.871 534 HE1 TYR 67 HE1 TYR 67 15.892 -5.241 -3.090 535 HE2 TYR 67 HE2 TYR 67 12.731 -5.694 -5.924 536 HH TYR 67 HH TYR 67 14.960 -6.567 -6.121 537 H LYS 68 H LYS 68 11.339 -1.747 0.739 538 HA LYS 68 HA LYS 68 8.971 -0.181 0.530 539 HB2 LYS 68 2HB LYS 68 10.345 -1.170 2.607 540 HB3 LYS 68 1HB LYS 68 11.018 0.454 2.597 541 HG2 LYS 68 2HG LYS 68 8.052 0.157 2.499 542 HG3 LYS 68 1HG LYS 68 8.876 -0.148 4.029 543 HD2 LYS 68 2HD LYS 68 9.317 2.360 2.424 544 HD3 LYS 68 1HD LYS 68 8.027 2.213 3.619 545 HE2 LYS 68 2HE LYS 68 9.905 1.458 5.227 546 HE3 LYS 68 1HE LYS 68 11.001 2.176 4.044 547 HZ1 LYS 68 3HZ LYS 68 10.222 3.642 5.934 548 HZ2 LYS 68 1HZ LYS 68 8.716 3.683 5.164 549 HZ3 LYS 68 2HZ LYS 68 10.088 4.286 4.373 550 H GLU 69 H GLU 69 12.264 0.326 -0.255 551 HA GLU 69 HA GLU 69 12.406 3.134 -0.104 552 HB2 GLU 69 2HB GLU 69 13.875 1.203 -1.918 553 HB3 GLU 69 1HB GLU 69 14.292 2.898 -1.722 554 HG2 GLU 69 2HG GLU 69 15.770 1.504 -0.405 555 HG3 GLU 69 1HG GLU 69 14.774 2.507 0.649 556 H GLN 70 H GLN 70 11.051 0.955 -2.448 557 HA GLN 70 HA GLN 70 10.814 2.904 -4.532 558 HB2 GLN 70 2HB GLN 70 9.536 0.195 -4.134 559 HB3 GLN 70 1HB GLN 70 9.252 1.204 -5.550 560 HG2 GLN 70 2HG GLN 70 11.906 0.075 -4.662 561 HG3 GLN 70 1HG GLN 70 10.956 -0.448 -6.054 562 HE21 GLN 70 1HE2 GLN 70 10.810 0.926 -7.851 563 HE22 GLN 70 2HE2 GLN 70 11.970 2.177 -8.128 564 H GLU 71 H GLU 71 8.864 1.836 -1.833 565 HA GLU 71 HA GLU 71 6.470 3.184 -2.648 566 HB2 GLU 71 2HB GLU 71 7.226 2.571 0.207 567 HB3 GLU 71 1HB GLU 71 5.619 2.679 -0.490 568 HG2 GLU 71 2HG GLU 71 5.901 0.596 -1.627 569 HG3 GLU 71 1HG GLU 71 7.603 0.522 -1.169 570 H GLU 72 H GLU 72 9.254 3.882 -0.667 571 HA GLU 72 HA GLU 72 8.461 6.304 0.482 572 HB2 GLU 72 2HB GLU 72 10.571 4.753 0.857 573 HB3 GLU 72 1HB GLU 72 11.316 5.866 -0.279 574 HG2 GLU 72 2HG GLU 72 11.855 6.780 1.757 575 HG3 GLU 72 1HG GLU 72 10.422 7.701 1.299 576 H GLN 73 H GLN 73 10.186 5.675 -2.568 577 HA GLN 73 HA GLN 73 10.728 8.364 -3.169 578 HB2 GLN 73 2HB GLN 73 11.286 7.652 -5.386 579 HB3 GLN 73 1HB GLN 73 11.849 6.435 -4.253 580 HG2 GLN 73 2HG GLN 73 10.071 4.971 -4.831 581 HG3 GLN 73 1HG GLN 73 9.275 6.226 -5.781 582 HE21 GLN 73 1HE2 GLN 73 9.304 4.853 -7.600 583 HE22 GLN 73 2HE2 GLN 73 10.754 4.591 -8.503 584 H LEU 74 H LEU 74 7.753 6.585 -3.529 585 HA LEU 74 HA LEU 74 6.706 8.671 -5.292 586 HB2 LEU 74 2HB LEU 74 4.797 7.288 -5.655 587 HB3 LEU 74 1HB LEU 74 6.226 6.293 -5.822 588 HG LEU 74 HG LEU 74 5.583 5.865 -3.202 589 HD11 LEU 74 1HD1 LEU 74 3.513 7.134 -3.383 590 HD12 LEU 74 2HD1 LEU 74 3.176 5.422 -3.135 591 HD13 LEU 74 3HD1 LEU 74 3.000 6.130 -4.740 592 HD21 LEU 74 3HD2 LEU 74 4.600 4.344 -5.609 593 HD22 LEU 74 1HD2 LEU 74 4.737 3.707 -3.971 594 HD23 LEU 74 2HD2 LEU 74 6.187 4.180 -4.858 595 H THR 75 H THR 75 6.362 7.391 -2.049 596 HA THR 75 HA THR 75 4.123 9.003 -1.348 597 HB THR 75 HB THR 75 6.105 7.738 0.553 598 HG1 THR 75 HG1 THR 75 5.398 6.062 -0.699 599 HG21 THR 75 3HG2 THR 75 3.172 8.411 0.852 600 HG22 THR 75 1HG2 THR 75 4.516 9.304 1.571 601 HG23 THR 75 2HG2 THR 75 4.190 7.645 2.073 602 H GLU 76 H GLU 76 7.502 9.558 -1.564 603 HA GLU 76 HA GLU 76 7.988 11.500 0.331 604 HB2 GLU 76 2HB GLU 76 9.187 10.700 -2.207 605 HB3 GLU 76 1HB GLU 76 9.394 12.412 -1.868 606 HG2 GLU 76 2HG GLU 76 10.102 10.232 0.078 607 HG3 GLU 76 1HG GLU 76 11.243 10.944 -1.064 608 H LEU 77 H LEU 77 6.354 11.839 -2.764 609 HA LEU 77 HA LEU 77 6.294 14.667 -2.823 610 HB2 LEU 77 2HB LEU 77 4.686 12.526 -4.178 611 HB3 LEU 77 1HB LEU 77 4.254 14.214 -4.360 612 HG LEU 77 HG LEU 77 6.687 14.553 -5.147 613 HD11 LEU 77 1HD1 LEU 77 7.605 12.428 -4.469 614 HD12 LEU 77 2HD1 LEU 77 7.668 12.560 -6.227 615 HD13 LEU 77 3HD1 LEU 77 6.429 11.565 -5.460 616 HD21 LEU 77 3HD2 LEU 77 4.751 14.739 -6.605 617 HD22 LEU 77 1HD2 LEU 77 4.724 12.987 -6.819 618 HD23 LEU 77 2HD2 LEU 77 6.080 13.932 -7.438 619 H ILE 78 H ILE 78 4.399 12.294 -1.174 620 HA ILE 78 HA ILE 78 2.367 14.271 -0.451 621 HB ILE 78 HB ILE 78 2.483 11.309 0.160 622 HG12 ILE 78 2HG1 ILE 78 0.315 11.718 -1.464 623 HG13 ILE 78 1HG1 ILE 78 1.474 12.867 -2.124 624 HG21 ILE 78 1HG2 ILE 78 0.131 11.561 0.822 625 HG22 ILE 78 2HG2 ILE 78 0.258 13.304 0.592 626 HG23 ILE 78 3HG2 ILE 78 1.211 12.507 1.844 627 HD11 ILE 78 3HD1 ILE 78 1.909 9.909 -1.771 628 HD12 ILE 78 1HD1 ILE 78 3.093 11.054 -2.405 629 HD13 ILE 78 2HD1 ILE 78 1.596 10.754 -3.287 630 H ALA 79 H ALA 79 5.023 12.422 0.888 631 HA ALA 79 HA ALA 79 4.554 12.645 3.611 632 HB1 ALA 79 1HB ALA 79 6.314 11.264 2.588 633 HB2 ALA 79 2HB ALA 79 6.912 12.259 3.918 634 HB3 ALA 79 3HB ALA 79 7.237 12.728 2.248 635 H SER 80 H SER 80 5.813 15.049 1.392 636 HA SER 80 HA SER 80 6.810 16.828 3.368 637 HB2 SER 80 2HB SER 80 6.030 18.270 1.038 638 HB3 SER 80 1HB SER 80 7.653 17.775 1.521 639 HG SER 80 HG SER 80 7.386 15.855 0.413 640 H LYS 81 H LYS 81 3.664 16.019 2.416 641 HA LYS 81 HA LYS 81 2.569 18.200 4.013 642 HB2 LYS 81 2HB LYS 81 0.739 18.446 2.222 643 HB3 LYS 81 1HB LYS 81 2.296 19.194 1.900 644 HG2 LYS 81 2HG LYS 81 2.921 17.367 0.433 645 HG3 LYS 81 1HG LYS 81 1.429 16.511 0.815 646 HD2 LYS 81 2HD LYS 81 0.111 18.218 -0.248 647 HD3 LYS 81 1HD LYS 81 1.536 19.232 -0.479 648 HE2 LYS 81 2HE LYS 81 1.240 16.488 -1.686 649 HE3 LYS 81 1HE LYS 81 0.756 17.969 -2.511 650 HZ1 LYS 81 3HZ LYS 81 3.425 16.937 -1.959 651 HZ2 LYS 81 1HZ LYS 81 3.226 18.615 -1.836 652 HZ3 LYS 81 2HZ LYS 81 2.856 17.825 -3.282 653 H LYS 82 H LYS 82 2.927 15.481 4.615 654 HA LYS 82 HA LYS 82 0.441 14.088 4.172 655 HB2 LYS 82 2HB LYS 82 1.422 12.300 5.563 656 HB3 LYS 82 1HB LYS 82 2.462 12.766 4.231 657 HG2 LYS 82 2HG LYS 82 3.941 13.933 5.693 658 HG3 LYS 82 1HG LYS 82 2.821 13.761 7.047 659 HD2 LYS 82 2HD LYS 82 3.166 11.402 7.131 660 HD3 LYS 82 1HD LYS 82 4.056 11.420 5.604 661 HE2 LYS 82 2HE LYS 82 5.675 11.234 7.358 662 HE3 LYS 82 1HE LYS 82 5.771 12.885 6.739 663 HZ1 LYS 82 3HZ LYS 82 4.369 12.022 9.211 664 HZ2 LYS 82 1HZ LYS 82 4.375 13.599 8.600 665 HZ3 LYS 82 2HZ LYS 82 5.816 12.893 9.128 666 H ASP 83 H ASP 83 -0.318 16.314 5.261 667 HA ASP 83 HA ASP 83 -0.493 16.134 8.149 668 HB2 ASP 83 2HB ASP 83 -0.697 18.210 6.281 669 HB3 ASP 83 1HB ASP 83 -2.320 18.031 6.940 670 H LEU 84 H LEU 84 -1.861 14.428 5.840 671 HA LEU 84 HA LEU 84 -4.590 14.448 6.884 672 HB2 LEU 84 2HB LEU 84 -3.406 12.945 4.542 673 HB3 LEU 84 1HB LEU 84 -5.098 12.952 4.990 674 HG LEU 84 HG LEU 84 -5.081 14.446 3.241 675 HD11 LEU 84 1HD1 LEU 84 -4.501 16.218 5.603 676 HD12 LEU 84 2HD1 LEU 84 -6.071 15.535 5.178 677 HD13 LEU 84 3HD1 LEU 84 -5.298 16.707 4.109 678 HD21 LEU 84 3HD2 LEU 84 -2.692 14.437 2.838 679 HD22 LEU 84 1HD2 LEU 84 -2.435 15.506 4.218 680 HD23 LEU 84 2HD2 LEU 84 -3.314 16.087 2.805 681 H PHE 85 H PHE 85 -5.568 12.133 6.995 682 HA PHE 85 HA PHE 85 -3.976 10.692 8.925 683 HB2 PHE 85 2HB PHE 85 -6.739 10.035 7.881 684 HB3 PHE 85 1HB PHE 85 -5.982 9.389 9.332 685 HD1 PHE 85 HD1 PHE 85 -5.244 11.198 11.089 686 HD2 PHE 85 HD2 PHE 85 -8.191 11.803 8.081 687 HE1 PHE 85 HE1 PHE 85 -6.211 13.038 12.407 688 HE2 PHE 85 HE2 PHE 85 -9.163 13.642 9.393 689 HZ PHE 85 HZ PHE 85 -8.170 14.263 11.559 690 H VAL 86 H VAL 86 -2.445 10.372 6.973 691 HA VAL 86 HA VAL 86 -3.173 8.027 5.384 692 HB VAL 86 HB VAL 86 -2.212 9.851 4.110 693 HG11 VAL 86 1HG1 VAL 86 0.296 10.341 4.557 694 HG12 VAL 86 2HG1 VAL 86 -0.056 9.744 6.179 695 HG13 VAL 86 3HG1 VAL 86 -0.931 11.136 5.543 696 HG21 VAL 86 3HG2 VAL 86 -0.158 7.658 4.374 697 HG22 VAL 86 1HG2 VAL 86 -0.425 8.696 2.974 698 HG23 VAL 86 2HG2 VAL 86 -1.656 7.531 3.453 699 H HIS 87 H HIS 87 -2.176 6.075 5.579 700 HA HIS 87 HA HIS 87 0.244 5.680 7.034 701 HB2 HIS 87 2HB HIS 87 -2.094 5.808 8.605 702 HB3 HIS 87 1HB HIS 87 -1.671 4.102 8.495 703 HD1 HIS 87 HD1 HIS 87 -0.411 3.491 10.525 704 HD2 HIS 87 HD2 HIS 87 0.658 7.254 9.124 705 HE1 HIS 87 HE1 HIS 87 1.421 4.283 12.052 706 H SER 88 H SER 88 1.079 4.254 5.619 707 HA SER 88 HA SER 88 -0.601 2.049 4.655 708 HB2 SER 88 2HB SER 88 2.135 2.831 3.634 709 HB3 SER 88 1HB SER 88 0.920 1.841 2.827 710 HG SER 88 HG SER 88 0.791 3.866 1.948 711 H ILE 89 H ILE 89 0.129 -0.130 4.804 712 HA ILE 89 HA ILE 89 2.602 -0.844 6.006 713 HB ILE 89 HB ILE 89 1.352 0.097 7.984 714 HG12 ILE 89 2HG1 ILE 89 2.014 -2.844 8.229 715 HG13 ILE 89 1HG1 ILE 89 3.226 -1.567 8.151 716 HG21 ILE 89 1HG2 ILE 89 -0.369 -2.334 7.554 717 HG22 ILE 89 2HG2 ILE 89 -0.878 -0.649 7.450 718 HG23 ILE 89 3HG2 ILE 89 -0.383 -1.329 9.002 719 HD11 ILE 89 3HD1 ILE 89 1.123 -1.895 10.278 720 HD12 ILE 89 1HD1 ILE 89 2.313 -0.598 10.210 721 HD13 ILE 89 2HD1 ILE 89 2.839 -2.266 10.440 722 H ASP 90 H ASP 90 2.869 -3.106 6.229 723 HA ASP 90 HA ASP 90 0.757 -4.834 5.148 724 HB2 ASP 90 2HB ASP 90 2.217 -4.495 3.268 725 HB3 ASP 90 1HB ASP 90 3.652 -4.700 4.261 726 H SER 91 H SER 91 1.119 -7.131 5.749 727 HA SER 91 HA SER 91 1.988 -7.276 8.494 728 HB2 SER 91 2HB SER 91 0.485 -9.025 6.640 729 HB3 SER 91 1HB SER 91 1.411 -9.844 7.900 730 HG SER 91 HG SER 91 -0.550 -9.402 8.787 731 H GLU 92 H GLU 92 4.193 -6.601 7.428 732 HA GLU 92 HA GLU 92 5.840 -8.520 6.221 733 HB2 GLU 92 2HB GLU 92 7.711 -7.085 7.064 734 HB3 GLU 92 1HB GLU 92 6.471 -6.204 6.184 735 HG2 GLU 92 2HG GLU 92 6.122 -4.870 7.915 736 HG3 GLU 92 1HG GLU 92 5.835 -6.249 8.977 737 H VAL 93 H VAL 93 7.263 -10.016 7.009 738 HA VAL 93 HA VAL 93 6.829 -10.761 9.804 739 HB VAL 93 HB VAL 93 6.196 -12.511 8.302 740 HG11 VAL 93 1HG1 VAL 93 7.434 -13.365 6.542 741 HG12 VAL 93 2HG1 VAL 93 8.953 -12.723 7.162 742 HG13 VAL 93 3HG1 VAL 93 7.764 -11.635 6.451 743 HG21 VAL 93 3HG2 VAL 93 8.857 -13.218 9.533 744 HG22 VAL 93 1HG2 VAL 93 7.586 -14.349 9.070 745 HG23 VAL 93 2HG2 VAL 93 7.308 -13.197 10.374 746 H ILE 94 H ILE 94 8.271 -9.096 10.471 747 HA ILE 94 HA ILE 94 10.221 -8.297 11.289 748 HB ILE 94 HB ILE 94 11.324 -11.088 11.019 749 HG12 ILE 94 2HG1 ILE 94 9.792 -10.114 13.421 750 HG13 ILE 94 1HG1 ILE 94 8.947 -10.851 12.064 751 HG21 ILE 94 1HG2 ILE 94 11.809 -8.896 13.039 752 HG22 ILE 94 2HG2 ILE 94 12.904 -9.368 11.740 753 HG23 ILE 94 3HG2 ILE 94 12.554 -10.495 13.051 754 HD11 ILE 94 3HD1 ILE 94 10.198 -12.890 12.347 755 HD12 ILE 94 1HD1 ILE 94 9.435 -12.437 13.870 756 HD13 ILE 94 2HD1 ILE 94 11.159 -12.154 13.629 757 H THR 95 H THR 95 10.207 -7.331 8.990 758 HA THR 95 HA THR 95 12.363 -8.292 7.297 759 HB THR 95 HB THR 95 11.039 -5.689 6.752 760 HG1 THR 95 HG1 THR 95 9.307 -6.986 7.455 761 HG21 THR 95 3HG2 THR 95 11.088 -6.539 4.453 762 HG22 THR 95 1HG2 THR 95 11.691 -8.092 5.036 763 HG23 THR 95 2HG2 THR 95 12.684 -6.642 5.194 764 H LYS 96 H LYS 96 13.725 -7.855 9.362 765 HA LYS 96 HA LYS 96 14.621 -5.075 9.453 766 HB2 LYS 96 2HB LYS 96 15.131 -7.427 11.276 767 HB3 LYS 96 1HB LYS 96 15.960 -5.884 11.445 768 HG2 LYS 96 2HG LYS 96 12.965 -6.075 11.445 769 HG3 LYS 96 1HG LYS 96 13.919 -6.293 12.913 770 HD2 LYS 96 2HD LYS 96 14.717 -4.093 12.854 771 HD3 LYS 96 1HD LYS 96 14.267 -3.882 11.162 772 HE2 LYS 96 2HE LYS 96 12.212 -4.367 13.293 773 HE3 LYS 96 1HE LYS 96 12.811 -2.746 12.950 774 HZ1 LYS 96 3HZ LYS 96 11.426 -4.560 11.051 775 HZ2 LYS 96 1HZ LYS 96 12.095 -3.068 10.626 776 HZ3 LYS 96 2HZ LYS 96 10.812 -3.139 11.720 777 H LYS 97 H LYS 97 16.073 -4.649 7.917 778 HA LYS 97 HA LYS 97 18.520 -6.195 7.838 779 HB2 LYS 97 2HB LYS 97 17.148 -7.357 6.188 780 HB3 LYS 97 1HB LYS 97 16.779 -5.836 5.386 781 HG2 LYS 97 2HG LYS 97 19.073 -5.569 4.700 782 HG3 LYS 97 1HG LYS 97 19.558 -6.989 5.630 783 HD2 LYS 97 2HD LYS 97 17.502 -7.165 3.451 784 HD3 LYS 97 1HD LYS 97 19.227 -7.250 3.099 785 HE2 LYS 97 2HE LYS 97 17.673 -9.089 4.919 786 HE3 LYS 97 1HE LYS 97 18.300 -9.484 3.321 787 HZ1 LYS 97 3HZ LYS 97 19.775 -10.362 4.952 788 HZ2 LYS 97 1HZ LYS 97 19.882 -8.880 5.759 789 HZ3 LYS 97 2HZ LYS 97 20.554 -9.054 4.219 790 H GLU 98 H GLU 98 20.223 -4.880 7.527 791 HA GLU 98 HA GLU 98 19.676 -2.075 7.023 792 HB2 GLU 98 2HB GLU 98 22.309 -3.366 7.740 793 HB3 GLU 98 1HB GLU 98 21.900 -1.659 7.835 794 HG2 GLU 98 2HG GLU 98 20.105 -2.353 9.506 795 HG3 GLU 98 1HG GLU 98 20.943 -3.902 9.577 796 H ALA 99 H ALA 99 19.165 -2.300 4.809 797 HA ALA 99 HA ALA 99 21.212 -3.226 2.985 798 HB1 ALA 99 1HB ALA 99 18.524 -1.962 2.435 799 HB2 ALA 99 2HB ALA 99 18.871 -3.691 2.489 800 HB3 ALA 99 3HB ALA 99 19.590 -2.688 1.229 801 H GLN 100 H GLN 100 22.881 -1.741 3.487 802 HA GLN 100 HA GLN 100 22.508 1.078 3.165 803 HB2 GLN 100 2HB GLN 100 24.301 -0.191 4.546 804 HB3 GLN 100 1HB GLN 100 25.170 -0.312 3.020 805 HG2 GLN 100 2HG GLN 100 25.961 1.594 4.324 806 HG3 GLN 100 1HG GLN 100 25.184 2.139 2.837 807 HE21 GLN 100 1HE2 GLN 100 23.333 3.363 2.956 808 HE22 GLN 100 2HE2 GLN 100 22.665 3.928 4.445 809 H GLN 101 H GLN 101 21.937 1.796 1.212 810 HA GLN 101 HA GLN 101 22.738 0.548 -1.217 811 HB2 GLN 101 2HB GLN 101 20.601 1.769 -0.956 812 HB3 GLN 101 1HB GLN 101 21.501 3.275 -0.810 813 HG2 GLN 101 2HG GLN 101 20.649 3.055 -3.065 814 HG3 GLN 101 1HG GLN 101 22.410 2.923 -3.086 815 HE21 GLN 101 1HE2 GLN 101 22.568 1.765 -4.945 816 HE22 GLN 101 2HE2 GLN 101 21.983 0.149 -5.122 817 H ILE 102 H ILE 102 24.929 0.520 -1.379 818 HA ILE 102 HA ILE 102 26.149 3.037 -2.164 819 HB ILE 102 HB ILE 102 26.831 2.939 0.133 820 HG12 ILE 102 2HG1 ILE 102 29.095 1.878 -1.572 821 HG13 ILE 102 1HG1 ILE 102 28.570 3.558 -1.528 822 HG21 ILE 102 1HG2 ILE 102 26.358 0.588 0.582 823 HG22 ILE 102 2HG2 ILE 102 27.979 1.017 1.118 824 HG23 ILE 102 3HG2 ILE 102 27.758 0.112 -0.379 825 HD11 ILE 102 3HD1 ILE 102 29.711 2.002 0.785 826 HD12 ILE 102 1HD1 ILE 102 29.198 3.689 0.825 827 HD13 ILE 102 2HD1 ILE 102 30.563 3.207 -0.183 828 H ARG 103 H ARG 103 27.401 2.780 -3.933 829 HA ARG 103 HA ARG 103 28.265 0.052 -4.612 830 HB2 ARG 103 2HB ARG 103 26.760 2.010 -6.316 831 HB3 ARG 103 1HB ARG 103 27.848 0.847 -7.062 832 HG2 ARG 103 2HG ARG 103 25.533 0.112 -5.266 833 HG3 ARG 103 1HG ARG 103 25.485 0.094 -7.032 834 HD2 ARG 103 2HD ARG 103 26.091 -2.056 -6.794 835 HD3 ARG 103 1HD ARG 103 27.705 -1.391 -6.558 836 HE ARG 103 HE ARG 103 25.956 -1.844 -4.242 837 HH11 ARG 103 1HH1 ARG 103 28.918 -2.535 -5.999 838 HH12 ARG 103 2HH1 ARG 103 29.599 -3.484 -4.712 839 HH21 ARG 103 1HH2 ARG 103 26.860 -3.094 -2.548 840 HH22 ARG 103 2HH2 ARG 103 28.419 -3.823 -2.765 841 H GLU 104 H GLU 104 30.195 -0.120 -5.715 842 HA GLU 104 HA GLU 104 31.905 2.248 -5.560 843 HB2 GLU 104 2HB GLU 104 32.566 0.017 -4.564 844 HB3 GLU 104 1HB GLU 104 32.697 -0.600 -6.204 845 HG2 GLU 104 2HG GLU 104 34.873 -0.039 -5.486 846 HG3 GLU 104 1HG GLU 104 34.388 1.192 -6.648 847 H GLU 105 H GLU 105 30.299 0.233 -7.817 848 HA GLU 105 HA GLU 105 31.858 1.249 -10.070 849 HB2 GLU 105 2HB GLU 105 30.410 -0.437 -11.349 850 HB3 GLU 105 1HB GLU 105 31.630 -1.078 -10.260 851 HG2 GLU 105 2HG GLU 105 28.791 -0.711 -9.367 852 HG3 GLU 105 1HG GLU 105 29.296 -2.144 -10.259 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -20.640 -30.577 -10.377 2 HA2 GLY 1 1HA GLY 1 -22.249 -29.371 -11.668 3 HA3 GLY 1 2HA GLY 1 -22.664 -29.315 -9.961 4 H SER 2 H SER 2 -23.613 -27.470 -11.855 5 HA SER 2 HA SER 2 -22.050 -25.077 -11.792 6 HB2 SER 2 2HB SER 2 -24.995 -25.369 -12.433 7 HB3 SER 2 1HB SER 2 -23.929 -24.047 -12.910 8 HG SER 2 HG SER 2 -24.057 -26.681 -13.878 9 H HIS 3 H HIS 3 -21.668 -24.170 -9.855 10 HA HIS 3 HA HIS 3 -24.001 -23.487 -8.195 11 HB2 HIS 3 2HB HIS 3 -21.312 -24.509 -7.267 12 HB3 HIS 3 1HB HIS 3 -22.438 -23.680 -6.198 13 HD1 HIS 3 HD1 HIS 3 -24.414 -25.016 -5.305 14 HD2 HIS 3 HD2 HIS 3 -22.147 -27.100 -8.099 15 HE1 HIS 3 HE1 HIS 3 -25.230 -27.393 -5.207 16 H MET 4 H MET 4 -23.797 -21.506 -7.022 17 HA MET 4 HA MET 4 -22.101 -19.592 -8.403 18 HB2 MET 4 2HB MET 4 -23.416 -17.882 -7.277 19 HB3 MET 4 1HB MET 4 -24.476 -19.052 -8.046 20 HG2 MET 4 2HG MET 4 -23.761 -19.188 -5.132 21 HG3 MET 4 1HG MET 4 -25.132 -18.263 -5.738 22 HE1 MET 4 3HE MET 4 -26.349 -20.071 -8.065 23 HE2 MET 4 1HE MET 4 -27.244 -19.244 -6.789 24 HE3 MET 4 2HE MET 4 -27.534 -20.955 -7.105 25 H LYS 5 H LYS 5 -20.685 -18.167 -7.327 26 HA LYS 5 HA LYS 5 -19.289 -19.405 -5.122 27 HB2 LYS 5 2HB LYS 5 -18.733 -16.760 -6.480 28 HB3 LYS 5 1HB LYS 5 -17.637 -17.648 -5.434 29 HG2 LYS 5 2HG LYS 5 -18.665 -18.794 -8.008 30 HG3 LYS 5 1HG LYS 5 -17.225 -17.778 -7.930 31 HD2 LYS 5 2HD LYS 5 -16.383 -19.405 -6.150 32 HD3 LYS 5 1HD LYS 5 -17.682 -20.475 -6.682 33 HE2 LYS 5 2HE LYS 5 -15.572 -21.007 -7.805 34 HE3 LYS 5 1HE LYS 5 -16.788 -20.452 -8.952 35 HZ1 LYS 5 3HZ LYS 5 -14.604 -19.461 -9.351 36 HZ2 LYS 5 1HZ LYS 5 -14.632 -18.758 -7.813 37 HZ3 LYS 5 2HZ LYS 5 -15.762 -18.287 -8.980 38 H THR 6 H THR 6 -20.103 -19.142 -3.129 39 HA THR 6 HA THR 6 -21.741 -16.963 -2.372 40 HB THR 6 HB THR 6 -20.268 -18.557 -0.319 41 HG1 THR 6 HG1 THR 6 -22.204 -19.534 -2.164 42 HG21 THR 6 3HG2 THR 6 -22.527 -18.551 0.721 43 HG22 THR 6 1HG2 THR 6 -23.115 -17.592 -0.634 44 HG23 THR 6 2HG2 THR 6 -21.887 -16.932 0.445 45 H LYS 7 H LYS 7 -18.450 -17.840 -1.298 46 HA LYS 7 HA LYS 7 -17.500 -15.160 -1.486 47 HB2 LYS 7 2HB LYS 7 -17.067 -14.783 0.894 48 HB3 LYS 7 1HB LYS 7 -18.790 -14.923 0.583 49 HG2 LYS 7 2HG LYS 7 -18.802 -17.192 1.432 50 HG3 LYS 7 1HG LYS 7 -17.051 -17.141 1.659 51 HD2 LYS 7 2HD LYS 7 -17.286 -15.377 3.306 52 HD3 LYS 7 1HD LYS 7 -19.027 -15.320 3.036 53 HE2 LYS 7 2HE LYS 7 -19.234 -17.609 3.858 54 HE3 LYS 7 1HE LYS 7 -17.492 -17.687 4.100 55 HZ1 LYS 7 3HZ LYS 7 -19.463 -16.034 5.557 56 HZ2 LYS 7 1HZ LYS 7 -17.804 -15.711 5.614 57 HZ3 LYS 7 2HZ LYS 7 -18.398 -17.186 6.183 58 H LYS 8 H LYS 8 -15.253 -15.047 -0.356 59 HA LYS 8 HA LYS 8 -13.900 -17.608 -0.223 60 HB2 LYS 8 2HB LYS 8 -12.223 -17.035 -1.894 61 HB3 LYS 8 1HB LYS 8 -13.824 -17.054 -2.623 62 HG2 LYS 8 2HG LYS 8 -12.723 -14.455 -1.640 63 HG3 LYS 8 1HG LYS 8 -12.127 -15.122 -3.163 64 HD2 LYS 8 2HD LYS 8 -14.423 -15.221 -4.019 65 HD3 LYS 8 1HD LYS 8 -15.022 -14.572 -2.492 66 HE2 LYS 8 2HE LYS 8 -13.756 -12.514 -2.865 67 HE3 LYS 8 1HE LYS 8 -13.140 -13.165 -4.385 68 HZ1 LYS 8 3HZ LYS 8 -14.984 -11.688 -4.778 69 HZ2 LYS 8 1HZ LYS 8 -15.985 -12.591 -3.761 70 HZ3 LYS 8 2HZ LYS 8 -15.418 -13.260 -5.205 71 H GLN 9 H GLN 9 -11.492 -17.198 0.289 72 HA GLN 9 HA GLN 9 -11.441 -15.227 2.427 73 HB2 GLN 9 2HB GLN 9 -9.538 -17.448 1.686 74 HB3 GLN 9 1HB GLN 9 -9.272 -16.343 3.024 75 HG2 GLN 9 2HG GLN 9 -11.460 -18.378 2.724 76 HG3 GLN 9 1HG GLN 9 -10.170 -18.333 3.922 77 HE21 GLN 9 1HE2 GLN 9 -13.266 -17.107 3.007 78 HE22 GLN 9 2HE2 GLN 9 -13.598 -16.262 4.475 79 H GLN 10 H GLN 10 -9.512 -16.057 -0.445 80 HA GLN 10 HA GLN 10 -7.853 -13.706 -0.145 81 HB2 GLN 10 2HB GLN 10 -7.969 -16.007 -2.047 82 HB3 GLN 10 1HB GLN 10 -7.135 -14.544 -2.548 83 HG2 GLN 10 2HG GLN 10 -5.589 -14.716 -0.753 84 HG3 GLN 10 1HG GLN 10 -6.515 -16.017 -0.001 85 HE21 GLN 10 1HE2 GLN 10 -4.347 -15.156 -2.605 86 HE22 GLN 10 2HE2 GLN 10 -3.934 -16.780 -3.046 87 H TYR 11 H TYR 11 -8.606 -11.764 -0.702 88 HA TYR 11 HA TYR 11 -9.750 -11.344 -3.303 89 HB2 TYR 11 2HB TYR 11 -11.847 -10.383 -2.618 90 HB3 TYR 11 1HB TYR 11 -11.736 -11.991 -1.918 91 HD1 TYR 11 HD2 TYR 11 -11.298 -12.252 0.513 92 HD2 TYR 11 HD1 TYR 11 -11.993 -8.441 -1.248 93 HE1 TYR 11 HE2 TYR 11 -11.768 -11.312 2.734 94 HE2 TYR 11 HE1 TYR 11 -12.464 -7.492 0.968 95 HH TYR 11 HH TYR 11 -13.343 -8.582 3.286 96 H VAL 12 H VAL 12 -10.444 -8.895 -3.427 97 HA VAL 12 HA VAL 12 -8.601 -7.251 -1.848 98 HB VAL 12 HB VAL 12 -7.442 -7.804 -3.947 99 HG11 VAL 12 1HG1 VAL 12 -9.350 -8.199 -5.382 100 HG12 VAL 12 2HG1 VAL 12 -8.294 -6.982 -6.099 101 HG13 VAL 12 3HG1 VAL 12 -9.791 -6.494 -5.306 102 HG21 VAL 12 3HG2 VAL 12 -6.915 -5.529 -4.678 103 HG22 VAL 12 1HG2 VAL 12 -7.020 -5.634 -2.920 104 HG23 VAL 12 2HG2 VAL 12 -8.346 -4.928 -3.841 105 H THR 13 H THR 13 -9.245 -5.084 -1.607 106 HA THR 13 HA THR 13 -11.737 -4.253 -2.870 107 HB THR 13 HB THR 13 -12.595 -5.245 -0.864 108 HG1 THR 13 HG1 THR 13 -13.821 -3.548 -0.680 109 HG21 THR 13 3HG2 THR 13 -10.538 -5.338 0.450 110 HG22 THR 13 1HG2 THR 13 -11.839 -4.590 1.379 111 HG23 THR 13 2HG2 THR 13 -10.580 -3.587 0.660 112 H ILE 14 H ILE 14 -11.719 -2.142 -3.389 113 HA ILE 14 HA ILE 14 -9.845 -0.338 -2.028 114 HB ILE 14 HB ILE 14 -10.087 -0.528 -5.041 115 HG12 ILE 14 2HG1 ILE 14 -7.430 -0.897 -3.882 116 HG13 ILE 14 1HG1 ILE 14 -8.561 -2.151 -3.387 117 HG21 ILE 14 1HG2 ILE 14 -8.375 1.180 -5.124 118 HG22 ILE 14 2HG2 ILE 14 -8.265 1.196 -3.365 119 HG23 ILE 14 3HG2 ILE 14 -9.736 1.756 -4.160 120 HD11 ILE 14 3HD1 ILE 14 -7.164 -2.552 -5.474 121 HD12 ILE 14 1HD1 ILE 14 -8.232 -1.390 -6.260 122 HD13 ILE 14 2HD1 ILE 14 -8.894 -2.872 -5.577 123 H LYS 15 H LYS 15 -11.000 1.416 -1.368 124 HA LYS 15 HA LYS 15 -13.141 2.377 -3.143 125 HB2 LYS 15 2HB LYS 15 -14.668 2.711 -1.366 126 HB3 LYS 15 1HB LYS 15 -14.046 1.080 -1.161 127 HG2 LYS 15 2HG LYS 15 -12.680 1.718 0.659 128 HG3 LYS 15 1HG LYS 15 -12.915 3.435 0.329 129 HD2 LYS 15 2HD LYS 15 -15.367 3.086 0.821 130 HD3 LYS 15 1HD LYS 15 -14.944 1.465 1.375 131 HE2 LYS 15 2HE LYS 15 -13.337 2.536 2.983 132 HE3 LYS 15 1HE LYS 15 -14.016 4.101 2.521 133 HZ1 LYS 15 3HZ LYS 15 -15.597 1.847 3.640 134 HZ2 LYS 15 1HZ LYS 15 -16.147 3.419 3.331 135 HZ3 LYS 15 2HZ LYS 15 -15.007 3.147 4.550 136 H GLY 16 H GLY 16 -13.256 4.536 -3.410 137 HA2 GLY 16 2HA GLY 16 -12.035 6.377 -1.570 138 HA3 GLY 16 1HA GLY 16 -11.123 6.176 -3.060 139 H THR 17 H THR 17 -14.631 6.313 -2.440 140 HA THR 17 HA THR 17 -14.794 8.359 -4.528 141 HB THR 17 HB THR 17 -16.241 6.582 -5.064 142 HG1 THR 17 HG1 THR 17 -18.035 7.720 -5.301 143 HG21 THR 17 3HG2 THR 17 -17.961 5.705 -3.477 144 HG22 THR 17 1HG2 THR 17 -17.189 6.646 -2.197 145 HG23 THR 17 2HG2 THR 17 -16.298 5.354 -3.001 146 H LYS 18 H LYS 18 -14.633 10.344 -3.760 147 HA LYS 18 HA LYS 18 -15.025 12.249 -2.592 148 HB2 LYS 18 2HB LYS 18 -17.524 10.789 -2.409 149 HB3 LYS 18 1HB LYS 18 -17.249 11.762 -0.970 150 HG2 LYS 18 2HG LYS 18 -17.101 13.757 -2.233 151 HG3 LYS 18 1HG LYS 18 -17.030 12.864 -3.753 152 HD2 LYS 18 2HD LYS 18 -19.236 13.326 -3.836 153 HD3 LYS 18 1HD LYS 18 -19.363 11.944 -2.748 154 HE2 LYS 18 2HE LYS 18 -19.246 13.498 -0.827 155 HE3 LYS 18 1HE LYS 18 -19.232 14.852 -1.956 156 HZ1 LYS 18 3HZ LYS 18 -21.418 12.895 -1.518 157 HZ2 LYS 18 1HZ LYS 18 -21.395 13.983 -2.813 158 HZ3 LYS 18 2HZ LYS 18 -21.450 14.556 -1.223 159 H ASN 19 H ASN 19 -13.759 9.721 -1.409 160 HA ASN 19 HA ASN 19 -13.542 10.723 1.344 161 HB2 ASN 19 2HB ASN 19 -13.779 7.855 0.397 162 HB3 ASN 19 1HB ASN 19 -13.159 8.265 1.989 163 HD21 ASN 19 1HD2 ASN 19 -14.892 10.447 2.537 164 HD22 ASN 19 2HD2 ASN 19 -16.485 9.792 2.763 165 H GLY 20 H GLY 20 -11.440 9.477 2.312 166 HA2 GLY 20 2HA GLY 20 -9.253 10.490 0.844 167 HA3 GLY 20 1HA GLY 20 -9.146 9.466 2.269 168 H LEU 21 H LEU 21 -8.810 7.268 2.033 169 HA LEU 21 HA LEU 21 -9.041 5.923 -0.460 170 HB2 LEU 21 2HB LEU 21 -7.061 7.169 -1.038 171 HB3 LEU 21 1HB LEU 21 -6.290 6.737 0.472 172 HG LEU 21 HG LEU 21 -6.384 4.328 -0.318 173 HD11 LEU 21 1HD1 LEU 21 -6.549 3.974 -2.723 174 HD12 LEU 21 2HD1 LEU 21 -6.957 5.672 -2.953 175 HD13 LEU 21 3HD1 LEU 21 -8.054 4.614 -2.067 176 HD21 LEU 21 3HD2 LEU 21 -4.364 4.545 -1.592 177 HD22 LEU 21 1HD2 LEU 21 -4.360 5.749 -0.303 178 HD23 LEU 21 2HD2 LEU 21 -4.725 6.233 -1.960 179 H THR 22 H THR 22 -9.989 4.226 0.533 180 HA THR 22 HA THR 22 -8.436 2.881 2.647 181 HB THR 22 HB THR 22 -11.382 2.447 2.281 182 HG1 THR 22 HG1 THR 22 -10.093 4.721 3.259 183 HG21 THR 22 3HG2 THR 22 -10.139 0.951 3.775 184 HG22 THR 22 1HG2 THR 22 -11.275 1.949 4.681 185 HG23 THR 22 2HG2 THR 22 -9.555 2.343 4.687 186 H LEU 23 H LEU 23 -7.514 1.059 1.932 187 HA LEU 23 HA LEU 23 -9.012 -0.679 0.148 188 HB2 LEU 23 2HB LEU 23 -7.189 -0.947 -1.419 189 HB3 LEU 23 1HB LEU 23 -7.648 0.741 -1.332 190 HG LEU 23 HG LEU 23 -5.370 -0.198 0.353 191 HD11 LEU 23 1HD1 LEU 23 -5.209 0.391 -2.599 192 HD12 LEU 23 2HD1 LEU 23 -4.911 -1.166 -1.827 193 HD13 LEU 23 3HD1 LEU 23 -3.833 0.192 -1.516 194 HD21 LEU 23 3HD2 LEU 23 -4.554 2.054 -0.101 195 HD22 LEU 23 1HD2 LEU 23 -6.184 2.096 0.564 196 HD23 LEU 23 2HD2 LEU 23 -5.933 2.346 -1.162 197 H HIS 24 H HIS 24 -8.242 -2.839 0.094 198 HA HIS 24 HA HIS 24 -6.162 -3.625 1.957 199 HB2 HIS 24 2HB HIS 24 -8.117 -3.423 3.424 200 HB3 HIS 24 1HB HIS 24 -9.049 -4.459 2.352 201 HD1 HIS 24 HD1 HIS 24 -6.568 -4.545 5.104 202 HD2 HIS 24 HD2 HIS 24 -8.364 -7.220 2.479 203 HE1 HIS 24 HE1 HIS 24 -6.058 -6.830 6.013 204 H LEU 25 H LEU 25 -5.194 -5.478 1.325 205 HA LEU 25 HA LEU 25 -6.542 -7.160 -0.677 206 HB2 LEU 25 2HB LEU 25 -5.038 -5.877 -1.978 207 HB3 LEU 25 1HB LEU 25 -3.774 -5.978 -0.771 208 HG LEU 25 HG LEU 25 -3.627 -8.451 -1.292 209 HD11 LEU 25 1HD1 LEU 25 -4.517 -9.202 -3.425 210 HD12 LEU 25 2HD1 LEU 25 -5.283 -7.633 -3.672 211 HD13 LEU 25 3HD1 LEU 25 -5.820 -8.680 -2.357 212 HD21 LEU 25 3HD2 LEU 25 -2.330 -8.080 -3.348 213 HD22 LEU 25 1HD2 LEU 25 -1.985 -6.872 -2.111 214 HD23 LEU 25 2HD2 LEU 25 -3.024 -6.464 -3.475 215 H ASP 26 H ASP 26 -6.584 -9.242 -0.071 216 HA ASP 26 HA ASP 26 -4.727 -10.117 2.048 217 HB2 ASP 26 2HB ASP 26 -7.481 -11.043 1.252 218 HB3 ASP 26 1HB ASP 26 -6.418 -12.081 2.193 219 H ASP 27 H ASP 27 -2.985 -11.088 1.182 220 HA ASP 27 HA ASP 27 -3.239 -13.503 -0.285 221 HB2 ASP 27 2HB ASP 27 -3.548 -11.476 -1.992 222 HB3 ASP 27 1HB ASP 27 -1.789 -11.477 -1.929 223 H ALA 28 H ALA 28 -0.729 -13.657 -1.459 224 HA ALA 28 HA ALA 28 1.328 -12.628 0.225 225 HB1 ALA 28 1HB ALA 28 0.812 -14.112 1.909 226 HB2 ALA 28 2HB ALA 28 2.003 -15.030 0.984 227 HB3 ALA 28 3HB ALA 28 0.283 -15.368 0.787 228 H CYS 29 H CYS 29 3.311 -12.881 -0.675 229 HA CYS 29 HA CYS 29 4.892 -13.282 -2.244 230 HB2 CYS 29 2HB CYS 29 3.350 -15.844 -2.686 231 HB3 CYS 29 1HB CYS 29 4.978 -15.517 -3.271 232 HG CYS 29 HG CYS 29 5.646 -14.986 -0.364 233 H SER 30 H SER 30 2.291 -11.984 -2.953 234 HA SER 30 HA SER 30 2.365 -12.461 -5.853 235 HB2 SER 30 2HB SER 30 0.184 -12.766 -4.355 236 HB3 SER 30 1HB SER 30 0.076 -11.022 -4.588 237 HG SER 30 HG SER 30 -0.623 -12.939 -6.272 238 H PHE 31 H PHE 31 1.748 -10.474 -7.125 239 HA PHE 31 HA PHE 31 3.440 -8.285 -6.239 240 HB2 PHE 31 2HB PHE 31 2.491 -7.547 -8.714 241 HB3 PHE 31 1HB PHE 31 3.985 -8.435 -8.429 242 HD1 PHE 31 HD1 PHE 31 0.370 -8.883 -9.151 243 HD2 PHE 31 HD2 PHE 31 4.276 -10.572 -9.300 244 HE1 PHE 31 HE1 PHE 31 -0.493 -10.754 -10.490 245 HE2 PHE 31 HE2 PHE 31 3.416 -12.448 -10.639 246 HZ PHE 31 HZ PHE 31 1.031 -12.542 -11.238 247 H ASP 32 H ASP 32 2.773 -6.198 -5.981 248 HA ASP 32 HA ASP 32 -0.123 -5.848 -5.581 249 HB2 ASP 32 2HB ASP 32 0.438 -4.179 -3.928 250 HB3 ASP 32 1HB ASP 32 1.373 -5.633 -3.585 251 H GLU 33 H GLU 33 1.714 -5.380 -8.041 252 HA GLU 33 HA GLU 33 1.937 -2.638 -8.512 253 HB2 GLU 33 2HB GLU 33 2.165 -3.182 -10.864 254 HB3 GLU 33 1HB GLU 33 3.057 -4.336 -9.888 255 HG2 GLU 33 2HG GLU 33 1.419 -6.021 -10.240 256 HG3 GLU 33 1HG GLU 33 0.307 -4.867 -10.981 257 H LEU 34 H LEU 34 -0.792 -4.805 -9.023 258 HA LEU 34 HA LEU 34 -2.380 -2.882 -10.410 259 HB2 LEU 34 2HB LEU 34 -2.761 -5.616 -9.390 260 HB3 LEU 34 1HB LEU 34 -4.205 -4.625 -9.338 261 HG LEU 34 HG LEU 34 -4.105 -5.937 -11.394 262 HD11 LEU 34 1HD1 LEU 34 -5.151 -3.679 -11.353 263 HD12 LEU 34 2HD1 LEU 34 -4.584 -4.179 -12.944 264 HD13 LEU 34 3HD1 LEU 34 -3.651 -3.022 -12.000 265 HD21 LEU 34 3HD2 LEU 34 -1.657 -6.081 -11.573 266 HD22 LEU 34 1HD2 LEU 34 -1.602 -4.373 -12.014 267 HD23 LEU 34 2HD2 LEU 34 -2.404 -5.534 -13.074 268 H LEU 35 H LEU 35 -1.615 -3.436 -7.139 269 HA LEU 35 HA LEU 35 -3.942 -2.067 -6.087 270 HB2 LEU 35 2HB LEU 35 -2.574 -4.007 -4.994 271 HB3 LEU 35 1HB LEU 35 -1.484 -2.723 -4.503 272 HG LEU 35 HG LEU 35 -3.539 -1.610 -3.458 273 HD11 LEU 35 1HD1 LEU 35 -5.323 -3.176 -2.805 274 HD12 LEU 35 2HD1 LEU 35 -4.604 -4.403 -3.848 275 HD13 LEU 35 3HD1 LEU 35 -5.253 -2.920 -4.548 276 HD21 LEU 35 3HD2 LEU 35 -1.761 -2.616 -2.151 277 HD22 LEU 35 1HD2 LEU 35 -2.484 -4.212 -2.358 278 HD23 LEU 35 2HD2 LEU 35 -3.330 -2.975 -1.427 279 H ASP 36 H ASP 36 -0.471 -1.542 -6.485 280 HA ASP 36 HA ASP 36 -0.270 0.973 -5.291 281 HB2 ASP 36 2HB ASP 36 1.748 -0.188 -5.799 282 HB3 ASP 36 1HB ASP 36 1.330 -0.301 -7.507 283 H GLY 37 H GLY 37 -0.879 0.101 -8.673 284 HA2 GLY 37 2HA GLY 37 -0.950 2.656 -9.770 285 HA3 GLY 37 1HA GLY 37 -1.843 1.277 -10.392 286 H LEU 38 H LEU 38 -3.391 0.971 -7.920 287 HA LEU 38 HA LEU 38 -5.498 2.795 -8.593 288 HB2 LEU 38 2HB LEU 38 -5.259 0.333 -7.109 289 HB3 LEU 38 1HB LEU 38 -6.159 1.513 -6.179 290 HG LEU 38 HG LEU 38 -7.659 0.113 -7.472 291 HD11 LEU 38 1HD1 LEU 38 -8.969 1.826 -8.524 292 HD12 LEU 38 2HD1 LEU 38 -7.565 2.880 -8.658 293 HD13 LEU 38 3HD1 LEU 38 -8.227 2.492 -7.072 294 HD21 LEU 38 3HD2 LEU 38 -6.194 -0.518 -9.285 295 HD22 LEU 38 1HD2 LEU 38 -6.164 1.143 -9.876 296 HD23 LEU 38 2HD2 LEU 38 -7.663 0.215 -9.930 297 H GLN 39 H GLN 39 -3.584 2.226 -5.638 298 HA GLN 39 HA GLN 39 -4.715 4.376 -4.204 299 HB2 GLN 39 2HB GLN 39 -2.819 4.121 -2.652 300 HB3 GLN 39 1HB GLN 39 -3.607 2.593 -3.018 301 HG2 GLN 39 2HG GLN 39 -1.664 1.735 -3.606 302 HG3 GLN 39 1HG GLN 39 -1.492 2.955 -4.869 303 HE21 GLN 39 1HE2 GLN 39 0.757 3.065 -4.566 304 HE22 GLN 39 2HE2 GLN 39 1.439 3.836 -3.174 305 H ASN 40 H ASN 40 -1.888 4.176 -6.299 306 HA ASN 40 HA ASN 40 -0.800 6.702 -5.679 307 HB2 ASN 40 2HB ASN 40 0.335 4.835 -6.945 308 HB3 ASN 40 1HB ASN 40 -0.626 5.291 -8.345 309 HD21 ASN 40 1HD2 ASN 40 2.073 6.069 -6.363 310 HD22 ASN 40 2HD2 ASN 40 2.656 7.397 -7.300 311 H MET 41 H MET 41 -2.984 5.683 -8.283 312 HA MET 41 HA MET 41 -3.231 8.184 -9.524 313 HB2 MET 41 2HB MET 41 -3.866 6.065 -10.582 314 HB3 MET 41 1HB MET 41 -5.204 5.903 -9.454 315 HG2 MET 41 2HG MET 41 -6.185 7.971 -10.369 316 HG3 MET 41 1HG MET 41 -4.877 8.036 -11.552 317 HE1 MET 41 3HE MET 41 -6.522 8.162 -13.513 318 HE2 MET 41 1HE MET 41 -7.939 8.089 -12.473 319 HE3 MET 41 2HE MET 41 -7.800 7.000 -13.856 320 H LEU 42 H LEU 42 -5.343 6.618 -7.127 321 HA LEU 42 HA LEU 42 -7.284 8.624 -7.037 322 HB2 LEU 42 2HB LEU 42 -6.439 6.467 -5.150 323 HB3 LEU 42 1HB LEU 42 -7.630 7.650 -4.641 324 HG LEU 42 HG LEU 42 -7.987 6.071 -7.176 325 HD11 LEU 42 1HD1 LEU 42 -7.674 4.463 -5.375 326 HD12 LEU 42 2HD1 LEU 42 -9.355 4.495 -5.913 327 HD13 LEU 42 3HD1 LEU 42 -8.893 5.295 -4.411 328 HD21 LEU 42 3HD2 LEU 42 -9.372 8.068 -6.859 329 HD22 LEU 42 1HD2 LEU 42 -9.931 7.431 -5.313 330 HD23 LEU 42 2HD2 LEU 42 -10.336 6.592 -6.809 331 H SER 43 H SER 43 -4.410 8.182 -4.975 332 HA SER 43 HA SER 43 -4.926 10.383 -3.289 333 HB2 SER 43 2HB SER 43 -2.228 9.189 -3.939 334 HB3 SER 43 1HB SER 43 -2.679 10.080 -2.483 335 HG SER 43 HG SER 43 -3.324 7.465 -3.267 336 H ILE 44 H ILE 44 -3.924 10.356 -6.539 337 HA ILE 44 HA ILE 44 -2.457 12.862 -6.303 338 HB ILE 44 HB ILE 44 -2.933 11.009 -8.625 339 HG12 ILE 44 2HG1 ILE 44 -0.406 12.002 -7.284 340 HG13 ILE 44 1HG1 ILE 44 -1.162 10.438 -6.995 341 HG21 ILE 44 1HG2 ILE 44 -1.612 13.719 -8.717 342 HG22 ILE 44 2HG2 ILE 44 -3.124 13.271 -9.507 343 HG23 ILE 44 3HG2 ILE 44 -1.606 12.532 -10.022 344 HD11 ILE 44 3HD1 ILE 44 0.747 10.259 -8.493 345 HD12 ILE 44 1HD1 ILE 44 -0.021 11.381 -9.614 346 HD13 ILE 44 2HD1 ILE 44 -0.747 9.802 -9.309 347 H GLU 45 H GLU 45 -5.400 11.670 -7.943 348 HA GLU 45 HA GLU 45 -6.020 14.420 -8.671 349 HB2 GLU 45 2HB GLU 45 -7.881 13.399 -9.985 350 HB3 GLU 45 1HB GLU 45 -6.266 12.904 -10.468 351 HG2 GLU 45 2HG GLU 45 -6.559 10.792 -9.257 352 HG3 GLU 45 1HG GLU 45 -8.185 11.296 -8.790 353 H GLN 46 H GLN 46 -7.178 12.002 -6.381 354 HA GLN 46 HA GLN 46 -9.038 14.035 -5.417 355 HB2 GLN 46 2HB GLN 46 -10.303 12.580 -6.993 356 HB3 GLN 46 1HB GLN 46 -9.932 11.202 -5.964 357 HG2 GLN 46 2HG GLN 46 -11.038 13.068 -4.226 358 HG3 GLN 46 1HG GLN 46 -12.015 13.201 -5.687 359 HE21 GLN 46 1HE2 GLN 46 -10.443 10.556 -3.912 360 HE22 GLN 46 2HE2 GLN 46 -11.842 9.534 -3.870 361 H TYR 47 H TYR 47 -7.549 14.204 -3.675 362 HA TYR 47 HA TYR 47 -7.776 11.975 -1.761 363 HB2 TYR 47 2HB TYR 47 -5.599 12.426 -0.922 364 HB3 TYR 47 1HB TYR 47 -5.448 12.413 -2.673 365 HD1 TYR 47 HD1 TYR 47 -5.494 14.734 -3.851 366 HD2 TYR 47 HD2 TYR 47 -4.767 14.204 0.308 367 HE1 TYR 47 HE1 TYR 47 -4.412 16.940 -3.765 368 HE2 TYR 47 HE2 TYR 47 -3.684 16.408 0.405 369 HH TYR 47 HH TYR 47 -3.818 18.640 -2.233 370 H THR 48 H THR 48 -9.223 14.652 -2.380 371 HA THR 48 HA THR 48 -9.029 15.865 0.271 372 HB THR 48 HB THR 48 -10.567 16.959 -2.076 373 HG1 THR 48 HG1 THR 48 -7.945 17.767 -1.353 374 HG21 THR 48 3HG2 THR 48 -11.145 17.985 0.027 375 HG22 THR 48 1HG2 THR 48 -10.139 19.112 -0.882 376 HG23 THR 48 2HG2 THR 48 -9.445 18.187 0.449 377 H ASP 49 H ASP 49 -10.274 14.663 1.598 378 HA ASP 49 HA ASP 49 -12.883 13.718 0.794 379 HB2 ASP 49 2HB ASP 49 -11.626 12.273 2.233 380 HB3 ASP 49 1HB ASP 49 -11.349 13.569 3.394 381 H GLY 50 H GLY 50 -11.557 16.104 3.055 382 HA2 GLY 50 2HA GLY 50 -12.633 18.244 3.300 383 HA3 GLY 50 1HA GLY 50 -14.174 17.453 3.003 384 H LYS 51 H LYS 51 -13.954 15.285 4.746 385 HA LYS 51 HA LYS 51 -14.195 16.705 7.307 386 HB2 LYS 51 2HB LYS 51 -15.202 13.972 6.485 387 HB3 LYS 51 1HB LYS 51 -15.474 14.724 8.046 388 HG2 LYS 51 2HG LYS 51 -17.430 15.301 7.099 389 HG3 LYS 51 1HG LYS 51 -16.468 16.638 6.462 390 HD2 LYS 51 2HD LYS 51 -16.137 15.465 4.378 391 HD3 LYS 51 1HD LYS 51 -16.945 14.033 5.014 392 HE2 LYS 51 2HE LYS 51 -19.030 15.315 5.220 393 HE3 LYS 51 1HE LYS 51 -18.214 16.733 4.559 394 HZ1 LYS 51 3HZ LYS 51 -19.522 15.467 2.907 395 HZ2 LYS 51 1HZ LYS 51 -18.485 14.150 3.124 396 HZ3 LYS 51 2HZ LYS 51 -17.890 15.603 2.499 397 H GLY 52 H GLY 52 -12.821 13.810 5.833 398 HA2 GLY 52 2HA GLY 52 -10.438 13.926 7.354 399 HA3 GLY 52 1HA GLY 52 -11.532 12.751 8.071 400 H GLN 53 H GLN 53 -9.537 13.515 5.333 401 HA GLN 53 HA GLN 53 -10.293 11.289 3.747 402 HB2 GLN 53 2HB GLN 53 -7.983 11.726 2.649 403 HB3 GLN 53 1HB GLN 53 -9.250 12.930 2.480 404 HG2 GLN 53 2HG GLN 53 -7.430 13.246 4.780 405 HG3 GLN 53 1HG GLN 53 -6.743 13.513 3.179 406 HE21 GLN 53 1HE2 GLN 53 -7.510 15.198 1.913 407 HE22 GLN 53 2HE2 GLN 53 -8.387 16.522 2.608 408 H LYS 54 H LYS 54 -10.261 9.430 4.876 409 HA LYS 54 HA LYS 54 -7.984 8.596 6.398 410 HB2 LYS 54 2HB LYS 54 -10.452 7.970 6.783 411 HB3 LYS 54 1HB LYS 54 -10.225 6.808 5.485 412 HG2 LYS 54 2HG LYS 54 -8.373 5.790 6.769 413 HG3 LYS 54 1HG LYS 54 -8.719 6.905 8.092 414 HD2 LYS 54 2HD LYS 54 -10.730 4.964 6.955 415 HD3 LYS 54 1HD LYS 54 -9.716 4.624 8.356 416 HE2 LYS 54 2HE LYS 54 -10.678 6.757 9.366 417 HE3 LYS 54 1HE LYS 54 -11.878 6.692 8.075 418 HZ1 LYS 54 3HZ LYS 54 -12.359 4.373 8.877 419 HZ2 LYS 54 1HZ LYS 54 -12.831 5.618 9.913 420 HZ3 LYS 54 2HZ LYS 54 -11.434 4.730 10.245 421 H ILE 55 H ILE 55 -6.265 8.575 5.005 422 HA ILE 55 HA ILE 55 -6.388 6.826 2.656 423 HB ILE 55 HB ILE 55 -4.103 8.594 3.561 424 HG12 ILE 55 2HG1 ILE 55 -6.222 9.192 1.485 425 HG13 ILE 55 1HG1 ILE 55 -6.183 9.885 3.103 426 HG21 ILE 55 1HG2 ILE 55 -3.798 6.607 1.907 427 HG22 ILE 55 2HG2 ILE 55 -3.080 8.172 1.533 428 HG23 ILE 55 3HG2 ILE 55 -4.582 7.686 0.753 429 HD11 ILE 55 3HD1 ILE 55 -4.146 10.281 0.927 430 HD12 ILE 55 1HD1 ILE 55 -4.007 10.912 2.567 431 HD13 ILE 55 2HD1 ILE 55 -5.316 11.461 1.518 432 H SER 56 H SER 56 -6.449 4.844 3.771 433 HA SER 56 HA SER 56 -3.981 4.191 5.236 434 HB2 SER 56 2HB SER 56 -6.646 2.847 5.648 435 HB3 SER 56 1HB SER 56 -5.214 2.755 6.673 436 HG SER 56 HG SER 56 -5.899 5.317 6.386 437 H VAL 57 H VAL 57 -2.770 3.248 3.704 438 HA VAL 57 HA VAL 57 -3.897 1.293 1.887 439 HB VAL 57 HB VAL 57 -0.978 1.969 2.290 440 HG11 VAL 57 1HG1 VAL 57 -2.452 0.741 -0.038 441 HG12 VAL 57 2HG1 VAL 57 -1.360 -0.094 1.067 442 HG13 VAL 57 3HG1 VAL 57 -0.737 1.151 -0.015 443 HG21 VAL 57 3HG2 VAL 57 -2.331 3.987 1.777 444 HG22 VAL 57 1HG2 VAL 57 -2.859 3.208 0.286 445 HG23 VAL 57 2HG2 VAL 57 -1.155 3.590 0.526 446 H HIS 58 H HIS 58 -4.583 -0.394 3.131 447 HA HIS 58 HA HIS 58 -2.654 -1.615 4.968 448 HB2 HIS 58 2HB HIS 58 -5.637 -1.976 4.668 449 HB3 HIS 58 1HB HIS 58 -4.641 -2.948 5.745 450 HD1 HIS 58 HD1 HIS 58 -6.881 -1.267 6.927 451 HD2 HIS 58 HD2 HIS 58 -2.986 0.110 6.487 452 HE1 HIS 58 HE1 HIS 58 -6.626 0.588 8.599 453 H VAL 59 H VAL 59 -1.328 -2.833 3.723 454 HA VAL 59 HA VAL 59 -2.510 -4.723 1.834 455 HB VAL 59 HB VAL 59 0.356 -5.000 2.059 456 HG11 VAL 59 1HG1 VAL 59 -1.363 -3.975 -0.195 457 HG12 VAL 59 2HG1 VAL 59 -1.044 -5.673 0.155 458 HG13 VAL 59 3HG1 VAL 59 0.277 -4.609 -0.328 459 HG21 VAL 59 3HG2 VAL 59 0.834 -2.700 1.011 460 HG22 VAL 59 1HG2 VAL 59 0.627 -2.783 2.761 461 HG23 VAL 59 2HG2 VAL 59 -0.691 -2.201 1.745 462 H LYS 60 H LYS 60 -2.548 -6.885 2.201 463 HA LYS 60 HA LYS 60 -1.333 -7.821 4.711 464 HB2 LYS 60 2HB LYS 60 -4.071 -7.847 3.901 465 HB3 LYS 60 1HB LYS 60 -3.508 -9.508 3.968 466 HG2 LYS 60 2HG LYS 60 -4.491 -8.862 6.073 467 HG3 LYS 60 1HG LYS 60 -2.763 -9.153 6.275 468 HD2 LYS 60 2HD LYS 60 -2.308 -6.801 6.316 469 HD3 LYS 60 1HD LYS 60 -3.973 -6.423 5.871 470 HE2 LYS 60 2HE LYS 60 -3.559 -6.064 8.263 471 HE3 LYS 60 1HE LYS 60 -4.768 -7.316 7.988 472 HZ1 LYS 60 3HZ LYS 60 -3.128 -7.901 9.712 473 HZ2 LYS 60 1HZ LYS 60 -1.901 -7.852 8.549 474 HZ3 LYS 60 2HZ LYS 60 -3.137 -8.997 8.428 475 H LEU 61 H LEU 61 0.362 -8.002 2.880 476 HA LEU 61 HA LEU 61 0.047 -10.529 1.415 477 HB2 LEU 61 2HB LEU 61 2.093 -8.323 1.155 478 HB3 LEU 61 1HB LEU 61 2.093 -9.797 0.205 479 HG LEU 61 HG LEU 61 -0.245 -7.907 0.172 480 HD11 LEU 61 1HD1 LEU 61 1.783 -6.654 -0.436 481 HD12 LEU 61 2HD1 LEU 61 0.699 -6.877 -1.810 482 HD13 LEU 61 3HD1 LEU 61 2.148 -7.869 -1.662 483 HD21 LEU 61 3HD2 LEU 61 -0.490 -10.237 -0.676 484 HD22 LEU 61 1HD2 LEU 61 0.761 -9.885 -1.867 485 HD23 LEU 61 2HD2 LEU 61 -0.762 -8.995 -1.897 486 H GLY 62 H GLY 62 2.348 -8.780 3.464 487 HA2 GLY 62 2HA GLY 62 3.590 -9.671 5.231 488 HA3 GLY 62 1HA GLY 62 3.115 -11.288 4.723 489 H ASN 63 H ASN 63 4.365 -12.403 3.279 490 HA ASN 63 HA ASN 63 7.047 -11.355 2.937 491 HB2 ASN 63 2HB ASN 63 7.591 -13.641 2.115 492 HB3 ASN 63 1HB ASN 63 6.922 -13.618 3.740 493 HD21 ASN 63 1HD2 ASN 63 7.045 -15.836 1.959 494 HD22 ASN 63 2HD2 ASN 63 5.418 -16.340 1.660 495 H ARG 64 H ARG 64 5.774 -9.743 1.513 496 HA ARG 64 HA ARG 64 5.337 -10.651 -1.202 497 HB2 ARG 64 2HB ARG 64 4.376 -8.589 -1.609 498 HB3 ARG 64 1HB ARG 64 4.104 -8.733 0.121 499 HG2 ARG 64 2HG ARG 64 6.316 -7.430 0.356 500 HG3 ARG 64 1HG ARG 64 6.075 -7.020 -1.342 501 HD2 ARG 64 2HD ARG 64 3.831 -6.135 -0.748 502 HD3 ARG 64 1HD ARG 64 4.205 -6.427 0.950 503 HE ARG 64 HE ARG 64 5.400 -4.387 -0.786 504 HH11 ARG 64 1HH1 ARG 64 5.090 -5.831 2.398 505 HH12 ARG 64 2HH1 ARG 64 5.931 -4.532 3.191 506 HH21 ARG 64 1HH2 ARG 64 6.491 -2.669 0.262 507 HH22 ARG 64 2HH2 ARG 64 6.712 -2.740 1.985 508 H PHE 65 H PHE 65 7.863 -9.476 0.708 509 HA PHE 65 HA PHE 65 9.983 -8.783 0.371 510 HB2 PHE 65 2HB PHE 65 9.868 -11.164 -0.652 511 HB3 PHE 65 1HB PHE 65 10.014 -10.331 -2.198 512 HD1 PHE 65 HD2 PHE 65 11.648 -10.453 1.155 513 HD2 PHE 65 HD1 PHE 65 12.123 -9.938 -3.045 514 HE1 PHE 65 HE2 PHE 65 14.087 -10.333 1.447 515 HE2 PHE 65 HE1 PHE 65 14.564 -9.807 -2.755 516 HZ PHE 65 HZ PHE 65 15.548 -10.007 -0.506 517 H LEU 66 H LEU 66 8.606 -6.712 -0.215 518 HA LEU 66 HA LEU 66 9.581 -5.768 -2.822 519 HB2 LEU 66 2HB LEU 66 7.088 -5.803 -2.569 520 HB3 LEU 66 1HB LEU 66 7.248 -4.667 -1.245 521 HG LEU 66 HG LEU 66 8.223 -3.012 -2.805 522 HD11 LEU 66 1HD1 LEU 66 7.633 -5.128 -4.870 523 HD12 LEU 66 2HD1 LEU 66 9.212 -4.470 -4.443 524 HD13 LEU 66 3HD1 LEU 66 8.016 -3.448 -5.240 525 HD21 LEU 66 3HD2 LEU 66 6.153 -2.508 -4.004 526 HD22 LEU 66 1HD2 LEU 66 5.834 -2.996 -2.339 527 HD23 LEU 66 2HD2 LEU 66 5.558 -4.132 -3.658 528 H TYR 67 H TYR 67 10.682 -3.848 -2.887 529 HA TYR 67 HA TYR 67 12.047 -3.123 -0.481 530 HB2 TYR 67 2HB TYR 67 12.173 -1.703 -3.141 531 HB3 TYR 67 1HB TYR 67 13.387 -1.708 -1.866 532 HD1 TYR 67 HD1 TYR 67 14.787 -3.702 -1.494 533 HD2 TYR 67 HD2 TYR 67 11.999 -3.516 -4.698 534 HE1 TYR 67 HE1 TYR 67 15.892 -5.622 -2.560 535 HE2 TYR 67 HE2 TYR 67 13.099 -5.435 -5.773 536 HH TYR 67 HH TYR 67 15.209 -6.577 -5.785 537 H LYS 68 H LYS 68 11.394 -1.663 0.959 538 HA LYS 68 HA LYS 68 9.056 -0.123 0.664 539 HB2 LYS 68 2HB LYS 68 10.280 -0.927 2.810 540 HB3 LYS 68 1HB LYS 68 11.225 0.545 2.635 541 HG2 LYS 68 2HG LYS 68 8.302 0.903 2.493 542 HG3 LYS 68 1HG LYS 68 8.925 0.377 4.058 543 HD2 LYS 68 2HD LYS 68 9.984 2.760 2.532 544 HD3 LYS 68 1HD LYS 68 8.736 2.861 3.776 545 HE2 LYS 68 2HE LYS 68 10.538 1.523 5.187 546 HE3 LYS 68 1HE LYS 68 11.653 2.282 4.050 547 HZ1 LYS 68 3HZ LYS 68 11.468 3.718 5.888 548 HZ2 LYS 68 1HZ LYS 68 9.778 3.613 5.916 549 HZ3 LYS 68 2HZ LYS 68 10.553 4.442 4.658 550 H GLU 69 H GLU 69 12.365 0.458 -0.125 551 HA GLU 69 HA GLU 69 12.393 3.256 -0.229 552 HB2 GLU 69 2HB GLU 69 13.850 1.495 -2.193 553 HB3 GLU 69 1HB GLU 69 14.336 3.068 -1.577 554 HG2 GLU 69 2HG GLU 69 15.729 1.696 -0.398 555 HG3 GLU 69 1HG GLU 69 14.375 1.831 0.725 556 H GLN 70 H GLN 70 11.203 0.843 -2.490 557 HA GLN 70 HA GLN 70 10.793 2.621 -4.675 558 HB2 GLN 70 2HB GLN 70 9.639 -0.091 -4.015 559 HB3 GLN 70 1HB GLN 70 9.269 0.776 -5.502 560 HG2 GLN 70 2HG GLN 70 12.054 0.008 -4.637 561 HG3 GLN 70 1HG GLN 70 11.061 -0.939 -5.747 562 HE21 GLN 70 1HE2 GLN 70 10.557 -0.062 -7.774 563 HE22 GLN 70 2HE2 GLN 70 11.537 1.172 -8.488 564 H GLU 71 H GLU 71 9.022 1.823 -1.828 565 HA GLU 71 HA GLU 71 6.550 3.002 -2.771 566 HB2 GLU 71 2HB GLU 71 7.403 1.934 -0.073 567 HB3 GLU 71 1HB GLU 71 5.806 2.587 -0.407 568 HG2 GLU 71 2HG GLU 71 5.131 0.742 -1.472 569 HG3 GLU 71 1HG GLU 71 6.688 0.496 -2.261 570 H GLU 72 H GLU 72 9.146 3.735 -0.506 571 HA GLU 72 HA GLU 72 8.132 6.147 0.503 572 HB2 GLU 72 2HB GLU 72 10.101 4.727 1.337 573 HB3 GLU 72 1HB GLU 72 11.065 5.586 0.142 574 HG2 GLU 72 2HG GLU 72 10.935 7.581 1.267 575 HG3 GLU 72 1HG GLU 72 9.426 7.150 2.072 576 H GLN 73 H GLN 73 9.969 5.442 -2.411 577 HA GLN 73 HA GLN 73 10.722 8.057 -3.086 578 HB2 GLN 73 2HB GLN 73 11.239 7.241 -5.231 579 HB3 GLN 73 1HB GLN 73 11.470 5.860 -4.170 580 HG2 GLN 73 2HG GLN 73 9.232 5.046 -4.811 581 HG3 GLN 73 1HG GLN 73 9.100 6.387 -5.945 582 HE21 GLN 73 1HE2 GLN 73 9.033 3.553 -6.503 583 HE22 GLN 73 2HE2 GLN 73 10.335 3.240 -7.594 584 H LEU 74 H LEU 74 7.664 6.343 -3.610 585 HA LEU 74 HA LEU 74 6.626 8.588 -5.142 586 HB2 LEU 74 2HB LEU 74 4.646 7.285 -5.494 587 HB3 LEU 74 1HB LEU 74 6.044 6.273 -5.792 588 HG LEU 74 HG LEU 74 5.485 5.749 -3.147 589 HD11 LEU 74 1HD1 LEU 74 3.379 7.008 -3.317 590 HD12 LEU 74 2HD1 LEU 74 3.101 5.290 -3.023 591 HD13 LEU 74 3HD1 LEU 74 2.874 5.959 -4.640 592 HD21 LEU 74 3HD2 LEU 74 4.550 4.319 -5.626 593 HD22 LEU 74 1HD2 LEU 74 4.605 3.617 -4.013 594 HD23 LEU 74 2HD2 LEU 74 6.100 4.108 -4.812 595 H THR 75 H THR 75 6.624 7.352 -1.931 596 HA THR 75 HA THR 75 4.336 8.732 -0.966 597 HB THR 75 HB THR 75 6.749 7.785 0.606 598 HG1 THR 75 HG1 THR 75 5.738 6.070 -0.542 599 HG21 THR 75 3HG2 THR 75 3.915 8.369 1.494 600 HG22 THR 75 1HG2 THR 75 5.337 9.351 1.857 601 HG23 THR 75 2HG2 THR 75 5.202 7.720 2.513 602 H GLU 76 H GLU 76 7.559 9.632 -1.711 603 HA GLU 76 HA GLU 76 8.012 11.832 -0.076 604 HB2 GLU 76 2HB GLU 76 8.987 10.909 -2.709 605 HB3 GLU 76 1HB GLU 76 9.153 12.632 -2.412 606 HG2 GLU 76 2HG GLU 76 10.136 10.548 -0.492 607 HG3 GLU 76 1HG GLU 76 11.123 11.202 -1.800 608 H LEU 77 H LEU 77 5.963 11.527 -2.893 609 HA LEU 77 HA LEU 77 5.580 14.306 -3.375 610 HB2 LEU 77 2HB LEU 77 4.043 11.829 -4.127 611 HB3 LEU 77 1HB LEU 77 3.435 13.423 -4.520 612 HG LEU 77 HG LEU 77 5.721 13.771 -5.692 613 HD11 LEU 77 1HD1 LEU 77 6.883 11.845 -4.854 614 HD12 LEU 77 2HD1 LEU 77 6.660 11.662 -6.594 615 HD13 LEU 77 3HD1 LEU 77 5.630 10.770 -5.473 616 HD21 LEU 77 3HD2 LEU 77 3.587 13.613 -6.855 617 HD22 LEU 77 1HD2 LEU 77 3.683 11.854 -6.807 618 HD23 LEU 77 2HD2 LEU 77 4.856 12.772 -7.746 619 H ILE 78 H ILE 78 4.150 11.986 -1.227 620 HA ILE 78 HA ILE 78 2.040 13.838 -0.425 621 HB ILE 78 HB ILE 78 2.576 11.051 0.608 622 HG12 ILE 78 2HG1 ILE 78 0.352 11.585 -1.288 623 HG13 ILE 78 1HG1 ILE 78 1.979 11.560 -1.964 624 HG21 ILE 78 1HG2 ILE 78 0.272 11.123 1.379 625 HG22 ILE 78 2HG2 ILE 78 0.087 12.748 0.714 626 HG23 ILE 78 3HG2 ILE 78 1.192 12.468 2.059 627 HD11 ILE 78 3HD1 ILE 78 0.750 9.341 -0.347 628 HD12 ILE 78 1HD1 ILE 78 2.326 9.327 -1.138 629 HD13 ILE 78 2HD1 ILE 78 0.856 9.387 -2.108 630 H ALA 79 H ALA 79 5.096 12.574 0.647 631 HA ALA 79 HA ALA 79 4.971 13.016 3.391 632 HB1 ALA 79 1HB ALA 79 6.774 11.800 2.216 633 HB2 ALA 79 2HB ALA 79 7.374 12.994 3.367 634 HB3 ALA 79 3HB ALA 79 7.399 13.347 1.639 635 H SER 80 H SER 80 5.337 15.318 0.806 636 HA SER 80 HA SER 80 6.360 17.452 2.403 637 HB2 SER 80 2HB SER 80 5.426 18.786 0.333 638 HB3 SER 80 1HB SER 80 6.825 17.727 0.144 639 HG SER 80 HG SER 80 5.522 17.086 -1.462 640 H LYS 81 H LYS 81 3.303 16.030 2.028 641 HA LYS 81 HA LYS 81 2.052 18.128 3.624 642 HB2 LYS 81 2HB LYS 81 0.002 17.908 2.060 643 HB3 LYS 81 1HB LYS 81 1.345 18.914 1.539 644 HG2 LYS 81 2HG LYS 81 2.175 17.079 0.133 645 HG3 LYS 81 1HG LYS 81 0.820 16.075 0.649 646 HD2 LYS 81 2HD LYS 81 -0.748 17.482 -0.449 647 HD3 LYS 81 1HD LYS 81 0.458 18.742 -0.706 648 HE2 LYS 81 2HE LYS 81 0.455 16.003 -1.970 649 HE3 LYS 81 1HE LYS 81 0.016 17.514 -2.767 650 HZ1 LYS 81 3HZ LYS 81 2.199 17.193 -3.396 651 HZ2 LYS 81 1HZ LYS 81 2.678 16.594 -1.887 652 HZ3 LYS 81 2HZ LYS 81 2.365 18.247 -2.084 653 H LYS 82 H LYS 82 2.903 15.630 4.443 654 HA LYS 82 HA LYS 82 0.655 13.810 4.349 655 HB2 LYS 82 2HB LYS 82 2.056 12.321 5.730 656 HB3 LYS 82 1HB LYS 82 2.866 12.833 4.258 657 HG2 LYS 82 2HG LYS 82 4.316 14.263 5.427 658 HG3 LYS 82 1HG LYS 82 3.328 14.197 6.890 659 HD2 LYS 82 2HD LYS 82 3.879 11.810 7.126 660 HD3 LYS 82 1HD LYS 82 4.906 11.918 5.692 661 HE2 LYS 82 2HE LYS 82 6.297 12.072 7.672 662 HE3 LYS 82 1HE LYS 82 6.275 13.640 6.865 663 HZ1 LYS 82 3HZ LYS 82 4.649 14.413 8.460 664 HZ2 LYS 82 1HZ LYS 82 6.017 13.838 9.265 665 HZ3 LYS 82 2HZ LYS 82 4.613 12.901 9.216 666 H ASP 83 H ASP 83 -0.200 16.107 5.414 667 HA ASP 83 HA ASP 83 -0.190 15.842 8.323 668 HB2 ASP 83 2HB ASP 83 -0.030 18.066 6.921 669 HB3 ASP 83 1HB ASP 83 -1.783 17.909 6.849 670 H LEU 84 H LEU 84 -1.781 14.493 5.846 671 HA LEU 84 HA LEU 84 -4.448 14.537 7.017 672 HB2 LEU 84 2HB LEU 84 -3.392 13.233 4.503 673 HB3 LEU 84 1HB LEU 84 -5.061 13.166 5.023 674 HG LEU 84 HG LEU 84 -5.162 14.839 3.463 675 HD11 LEU 84 1HD1 LEU 84 -4.405 16.427 5.905 676 HD12 LEU 84 2HD1 LEU 84 -5.981 15.688 5.630 677 HD13 LEU 84 3HD1 LEU 84 -5.406 16.963 4.556 678 HD21 LEU 84 3HD2 LEU 84 -2.845 14.925 2.859 679 HD22 LEU 84 1HD2 LEU 84 -2.437 15.750 4.365 680 HD23 LEU 84 2HD2 LEU 84 -3.417 16.571 3.148 681 H PHE 85 H PHE 85 -5.544 12.223 6.912 682 HA PHE 85 HA PHE 85 -4.055 10.584 8.750 683 HB2 PHE 85 2HB PHE 85 -6.748 10.056 7.480 684 HB3 PHE 85 1HB PHE 85 -6.075 9.226 8.876 685 HD1 PHE 85 HD1 PHE 85 -5.634 10.604 10.969 686 HD2 PHE 85 HD2 PHE 85 -8.034 11.966 7.734 687 HE1 PHE 85 HE1 PHE 85 -6.701 12.251 12.456 688 HE2 PHE 85 HE2 PHE 85 -9.103 13.616 9.210 689 HZ PHE 85 HZ PHE 85 -8.438 13.757 11.577 690 H VAL 86 H VAL 86 -2.317 10.168 7.154 691 HA VAL 86 HA VAL 86 -3.050 8.026 5.271 692 HB VAL 86 HB VAL 86 -2.066 9.847 4.073 693 HG11 VAL 86 1HG1 VAL 86 0.478 10.296 4.763 694 HG12 VAL 86 2HG1 VAL 86 -0.191 9.919 6.350 695 HG13 VAL 86 3HG1 VAL 86 -0.872 11.235 5.398 696 HG21 VAL 86 3HG2 VAL 86 -1.366 7.571 3.416 697 HG22 VAL 86 1HG2 VAL 86 0.068 7.747 4.427 698 HG23 VAL 86 2HG2 VAL 86 -0.160 8.798 3.030 699 H HIS 87 H HIS 87 -2.394 6.021 5.712 700 HA HIS 87 HA HIS 87 0.093 5.568 7.133 701 HB2 HIS 87 2HB HIS 87 -2.563 5.185 8.374 702 HB3 HIS 87 1HB HIS 87 -1.431 3.853 8.577 703 HD1 HIS 87 HD1 HIS 87 0.845 4.448 9.826 704 HD2 HIS 87 HD2 HIS 87 -2.106 7.373 9.971 705 HE1 HIS 87 HE1 HIS 87 1.546 6.025 11.655 706 H SER 88 H SER 88 1.061 4.115 5.854 707 HA SER 88 HA SER 88 -0.560 1.995 4.622 708 HB2 SER 88 2HB SER 88 2.283 2.724 3.889 709 HB3 SER 88 1HB SER 88 1.103 1.836 2.922 710 HG SER 88 HG SER 88 1.093 3.883 2.117 711 H ILE 89 H ILE 89 -0.025 -0.177 4.954 712 HA ILE 89 HA ILE 89 2.351 -0.906 6.397 713 HB ILE 89 HB ILE 89 0.902 -0.076 8.229 714 HG12 ILE 89 2HG1 ILE 89 0.963 -2.216 9.617 715 HG13 ILE 89 1HG1 ILE 89 1.554 -3.017 8.166 716 HG21 ILE 89 1HG2 ILE 89 -0.989 -2.082 7.103 717 HG22 ILE 89 2HG2 ILE 89 -1.288 -0.437 7.665 718 HG23 ILE 89 3HG2 ILE 89 -1.014 -1.730 8.829 719 HD11 ILE 89 3HD1 ILE 89 3.363 -2.390 9.680 720 HD12 ILE 89 1HD1 ILE 89 2.889 -0.699 9.540 721 HD13 ILE 89 2HD1 ILE 89 3.491 -1.564 8.128 722 H ASP 90 H ASP 90 2.775 -3.101 6.351 723 HA ASP 90 HA ASP 90 0.836 -4.831 4.962 724 HB2 ASP 90 2HB ASP 90 2.620 -4.162 3.385 725 HB3 ASP 90 1HB ASP 90 3.836 -4.748 4.508 726 H SER 91 H SER 91 1.397 -7.197 5.341 727 HA SER 91 HA SER 91 1.780 -7.583 8.178 728 HB2 SER 91 2HB SER 91 1.400 -9.719 6.078 729 HB3 SER 91 1HB SER 91 1.009 -9.807 7.795 730 HG SER 91 HG SER 91 -0.830 -9.436 6.456 731 H GLU 92 H GLU 92 4.148 -6.634 7.104 732 HA GLU 92 HA GLU 92 5.979 -8.564 6.235 733 HB2 GLU 92 2HB GLU 92 7.717 -6.976 6.830 734 HB3 GLU 92 1HB GLU 92 6.375 -6.136 6.072 735 HG2 GLU 92 2HG GLU 92 5.940 -4.915 7.894 736 HG3 GLU 92 1HG GLU 92 6.229 -6.267 8.991 737 H VAL 93 H VAL 93 7.419 -9.894 7.278 738 HA VAL 93 HA VAL 93 6.802 -10.388 10.092 739 HB VAL 93 HB VAL 93 6.399 -12.313 8.738 740 HG11 VAL 93 1HG1 VAL 93 7.733 -11.803 6.799 741 HG12 VAL 93 2HG1 VAL 93 8.157 -13.404 7.405 742 HG13 VAL 93 3HG1 VAL 93 9.221 -12.032 7.719 743 HG21 VAL 93 3HG2 VAL 93 8.903 -12.558 10.385 744 HG22 VAL 93 1HG2 VAL 93 8.071 -13.949 9.689 745 HG23 VAL 93 2HG2 VAL 93 7.242 -12.922 10.857 746 H ILE 94 H ILE 94 8.102 -8.620 10.774 747 HA ILE 94 HA ILE 94 9.978 -7.600 11.568 748 HB ILE 94 HB ILE 94 11.223 -10.329 11.811 749 HG12 ILE 94 2HG1 ILE 94 9.120 -9.170 13.657 750 HG13 ILE 94 1HG1 ILE 94 8.821 -10.450 12.488 751 HG21 ILE 94 1HG2 ILE 94 11.246 -7.916 13.626 752 HG22 ILE 94 2HG2 ILE 94 12.540 -8.377 12.518 753 HG23 ILE 94 3HG2 ILE 94 12.129 -9.423 13.880 754 HD11 ILE 94 3HD1 ILE 94 10.383 -11.901 13.664 755 HD12 ILE 94 1HD1 ILE 94 9.112 -11.325 14.743 756 HD13 ILE 94 2HD1 ILE 94 10.724 -10.611 14.819 757 H THR 95 H THR 95 10.059 -7.190 9.023 758 HA THR 95 HA THR 95 12.422 -8.300 7.767 759 HB THR 95 HB THR 95 11.185 -5.933 6.526 760 HG1 THR 95 HG1 THR 95 9.338 -6.885 7.486 761 HG21 THR 95 3HG2 THR 95 11.239 -7.368 4.554 762 HG22 THR 95 1HG2 THR 95 11.679 -8.751 5.553 763 HG23 THR 95 2HG2 THR 95 12.799 -7.399 5.376 764 H LYS 96 H LYS 96 13.818 -7.536 9.532 765 HA LYS 96 HA LYS 96 14.487 -4.685 9.344 766 HB2 LYS 96 2HB LYS 96 15.435 -6.685 11.401 767 HB3 LYS 96 1HB LYS 96 15.607 -4.936 11.467 768 HG2 LYS 96 2HG LYS 96 12.959 -6.365 11.478 769 HG3 LYS 96 1HG LYS 96 13.822 -5.869 12.934 770 HD2 LYS 96 2HD LYS 96 13.137 -3.911 10.758 771 HD3 LYS 96 1HD LYS 96 11.997 -4.313 12.045 772 HE2 LYS 96 2HE LYS 96 14.803 -3.360 12.569 773 HE3 LYS 96 1HE LYS 96 13.427 -2.266 12.429 774 HZ1 LYS 96 3HZ LYS 96 13.670 -4.477 14.398 775 HZ2 LYS 96 1HZ LYS 96 12.380 -3.391 14.279 776 HZ3 LYS 96 2HZ LYS 96 13.907 -2.836 14.732 777 H LYS 97 H LYS 97 15.425 -5.242 7.220 778 HA LYS 97 HA LYS 97 18.002 -6.622 7.385 779 HB2 LYS 97 2HB LYS 97 16.426 -7.298 5.600 780 HB3 LYS 97 1HB LYS 97 16.457 -5.657 4.969 781 HG2 LYS 97 2HG LYS 97 18.908 -5.914 4.582 782 HG3 LYS 97 1HG LYS 97 18.761 -7.602 5.069 783 HD2 LYS 97 2HD LYS 97 17.211 -6.361 2.799 784 HD3 LYS 97 1HD LYS 97 18.743 -7.216 2.596 785 HE2 LYS 97 2HE LYS 97 16.132 -8.333 3.607 786 HE3 LYS 97 1HE LYS 97 16.966 -8.741 2.110 787 HZ1 LYS 97 3HZ LYS 97 17.841 -9.375 4.874 788 HZ2 LYS 97 1HZ LYS 97 18.811 -9.602 3.505 789 HZ3 LYS 97 2HZ LYS 97 17.367 -10.461 3.670 790 H GLU 98 H GLU 98 19.903 -5.568 7.163 791 HA GLU 98 HA GLU 98 19.850 -2.682 7.224 792 HB2 GLU 98 2HB GLU 98 22.250 -4.520 7.169 793 HB3 GLU 98 1HB GLU 98 22.215 -2.833 7.670 794 HG2 GLU 98 2HG GLU 98 21.052 -3.324 9.639 795 HG3 GLU 98 1HG GLU 98 20.592 -4.928 9.073 796 H ALA 99 H ALA 99 18.857 -2.627 5.055 797 HA ALA 99 HA ALA 99 20.415 -3.326 2.765 798 HB1 ALA 99 1HB ALA 99 17.986 -1.551 2.934 799 HB2 ALA 99 2HB ALA 99 17.963 -3.300 2.716 800 HB3 ALA 99 3HB ALA 99 18.662 -2.266 1.472 801 H GLN 100 H GLN 100 22.385 -2.277 3.146 802 HA GLN 100 HA GLN 100 22.435 0.625 3.188 803 HB2 GLN 100 2HB GLN 100 24.013 -0.622 4.588 804 HB3 GLN 100 1HB GLN 100 24.666 -1.420 3.161 805 HG2 GLN 100 2HG GLN 100 26.131 0.386 3.959 806 HG3 GLN 100 1HG GLN 100 25.530 0.700 2.331 807 HE21 GLN 100 1HE2 GLN 100 24.282 2.482 1.963 808 HE22 GLN 100 2HE2 GLN 100 23.905 3.659 3.173 809 H GLN 101 H GLN 101 22.030 1.572 1.298 810 HA GLN 101 HA GLN 101 22.615 0.343 -1.214 811 HB2 GLN 101 2HB GLN 101 20.704 1.866 -0.911 812 HB3 GLN 101 1HB GLN 101 21.813 3.194 -0.582 813 HG2 GLN 101 2HG GLN 101 20.969 3.302 -2.873 814 HG3 GLN 101 1HG GLN 101 22.709 3.013 -2.852 815 HE21 GLN 101 1HE2 GLN 101 22.628 2.186 -4.949 816 HE22 GLN 101 2HE2 GLN 101 22.008 0.604 -5.277 817 H ILE 102 H ILE 102 24.749 0.016 -1.566 818 HA ILE 102 HA ILE 102 26.375 2.371 -2.033 819 HB ILE 102 HB ILE 102 26.955 1.841 0.269 820 HG12 ILE 102 2HG1 ILE 102 29.212 0.834 -1.445 821 HG13 ILE 102 1HG1 ILE 102 28.702 2.520 -1.464 822 HG21 ILE 102 1HG2 ILE 102 26.306 -0.509 0.307 823 HG22 ILE 102 2HG2 ILE 102 27.953 -0.295 0.901 824 HG23 ILE 102 3HG2 ILE 102 27.677 -0.914 -0.727 825 HD11 ILE 102 3HD1 ILE 102 29.065 2.474 1.054 826 HD12 ILE 102 1HD1 ILE 102 30.494 2.439 0.028 827 HD13 ILE 102 2HD1 ILE 102 29.917 0.956 0.786 828 H ARG 103 H ARG 103 27.714 2.126 -3.739 829 HA ARG 103 HA ARG 103 28.183 -0.576 -4.783 830 HB2 ARG 103 2HB ARG 103 27.177 1.798 -6.362 831 HB3 ARG 103 1HB ARG 103 27.817 0.336 -7.094 832 HG2 ARG 103 2HG ARG 103 25.497 0.221 -5.190 833 HG3 ARG 103 1HG ARG 103 25.262 0.581 -6.904 834 HD2 ARG 103 2HD ARG 103 24.976 -1.733 -6.759 835 HD3 ARG 103 1HD ARG 103 26.628 -1.538 -7.340 836 HE ARG 103 HE ARG 103 26.304 -1.804 -4.464 837 HH11 ARG 103 1HH1 ARG 103 27.068 -3.355 -7.530 838 HH12 ARG 103 2HH1 ARG 103 27.818 -4.734 -6.777 839 HH21 ARG 103 1HH2 ARG 103 27.318 -3.607 -3.488 840 HH22 ARG 103 2HH2 ARG 103 27.967 -4.872 -4.483 841 H GLU 104 H GLU 104 30.111 -0.849 -5.860 842 HA GLU 104 HA GLU 104 31.921 1.476 -5.891 843 HB2 GLU 104 2HB GLU 104 32.396 -0.389 -4.180 844 HB3 GLU 104 1HB GLU 104 32.842 -1.378 -5.563 845 HG2 GLU 104 2HG GLU 104 34.693 -0.144 -4.294 846 HG3 GLU 104 1HG GLU 104 34.699 -0.074 -6.057 847 H GLU 105 H GLU 105 30.140 0.658 -7.915 848 HA GLU 105 HA GLU 105 32.028 -0.077 -10.036 849 HB2 GLU 105 2HB GLU 105 30.090 -1.221 -11.168 850 HB3 GLU 105 1HB GLU 105 30.690 -2.026 -9.727 851 HG2 GLU 105 2HG GLU 105 28.844 -1.127 -8.430 852 HG3 GLU 105 1HG GLU 105 28.259 -0.253 -9.844 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -25.471 -29.080 -11.146 2 HA2 GLY 1 1HA GLY 1 -27.255 -27.821 -10.318 3 HA3 GLY 1 2HA GLY 1 -26.780 -28.166 -8.663 4 H SER 2 H SER 2 -27.201 -25.565 -9.690 5 HA SER 2 HA SER 2 -24.650 -24.383 -10.288 6 HB2 SER 2 2HB SER 2 -27.113 -22.898 -9.385 7 HB3 SER 2 1HB SER 2 -25.827 -22.341 -10.455 8 HG SER 2 HG SER 2 -26.587 -23.701 -12.052 9 H HIS 3 H HIS 3 -23.549 -22.851 -8.903 10 HA HIS 3 HA HIS 3 -24.194 -23.137 -6.049 11 HB2 HIS 3 2HB HIS 3 -21.555 -23.631 -7.395 12 HB3 HIS 3 1HB HIS 3 -21.615 -23.094 -5.720 13 HD1 HIS 3 HD1 HIS 3 -22.542 -24.764 -3.965 14 HD2 HIS 3 HD2 HIS 3 -22.375 -26.272 -7.837 15 HE1 HIS 3 HE1 HIS 3 -22.862 -27.250 -3.737 16 H MET 4 H MET 4 -24.430 -21.266 -5.101 17 HA MET 4 HA MET 4 -23.825 -18.815 -6.443 18 HB2 MET 4 2HB MET 4 -24.860 -19.391 -3.659 19 HB3 MET 4 1HB MET 4 -24.691 -17.774 -4.332 20 HG2 MET 4 2HG MET 4 -26.384 -18.109 -5.890 21 HG3 MET 4 1HG MET 4 -26.304 -19.862 -5.740 22 HE1 MET 4 3HE MET 4 -29.890 -19.191 -4.433 23 HE2 MET 4 1HE MET 4 -28.884 -20.286 -5.385 24 HE3 MET 4 2HE MET 4 -29.023 -18.589 -5.846 25 H LYS 5 H LYS 5 -22.742 -17.009 -5.071 26 HA LYS 5 HA LYS 5 -20.090 -18.002 -4.392 27 HB2 LYS 5 2HB LYS 5 -19.494 -15.553 -4.405 28 HB3 LYS 5 1HB LYS 5 -20.078 -16.188 -5.935 29 HG2 LYS 5 2HG LYS 5 -22.215 -15.166 -5.633 30 HG3 LYS 5 1HG LYS 5 -21.816 -14.700 -3.979 31 HD2 LYS 5 2HD LYS 5 -21.606 -12.763 -5.370 32 HD3 LYS 5 1HD LYS 5 -19.983 -13.275 -4.904 33 HE2 LYS 5 2HE LYS 5 -19.640 -14.306 -7.051 34 HE3 LYS 5 1HE LYS 5 -21.312 -13.995 -7.515 35 HZ1 LYS 5 3HZ LYS 5 -19.830 -12.387 -8.513 36 HZ2 LYS 5 1HZ LYS 5 -19.233 -11.939 -6.995 37 HZ3 LYS 5 2HZ LYS 5 -20.842 -11.618 -7.402 38 H THR 6 H THR 6 -19.344 -18.145 -2.386 39 HA THR 6 HA THR 6 -20.955 -17.014 -0.208 40 HB THR 6 HB THR 6 -19.045 -18.673 0.932 41 HG1 THR 6 HG1 THR 6 -18.982 -20.502 -0.322 42 HG21 THR 6 3HG2 THR 6 -21.880 -19.304 0.105 43 HG22 THR 6 1HG2 THR 6 -21.376 -18.517 1.603 44 HG23 THR 6 2HG2 THR 6 -20.943 -20.201 1.300 45 H LYS 7 H LYS 7 -19.507 -16.539 1.812 46 HA LYS 7 HA LYS 7 -17.742 -14.423 1.056 47 HB2 LYS 7 2HB LYS 7 -17.495 -14.018 3.435 48 HB3 LYS 7 1HB LYS 7 -19.187 -14.275 3.041 49 HG2 LYS 7 2HG LYS 7 -19.261 -16.335 4.102 50 HG3 LYS 7 1HG LYS 7 -17.512 -16.558 4.007 51 HD2 LYS 7 2HD LYS 7 -18.663 -14.310 5.619 52 HD3 LYS 7 1HD LYS 7 -18.600 -15.942 6.284 53 HE2 LYS 7 2HE LYS 7 -16.173 -15.995 5.850 54 HE3 LYS 7 1HE LYS 7 -16.259 -14.341 5.252 55 HZ1 LYS 7 3HZ LYS 7 -15.523 -14.512 7.579 56 HZ2 LYS 7 1HZ LYS 7 -17.025 -15.171 7.996 57 HZ3 LYS 7 2HZ LYS 7 -16.925 -13.588 7.405 58 H LYS 8 H LYS 8 -15.527 -14.215 1.969 59 HA LYS 8 HA LYS 8 -14.138 -16.779 2.229 60 HB2 LYS 8 2HB LYS 8 -12.318 -15.859 0.724 61 HB3 LYS 8 1HB LYS 8 -13.814 -16.324 -0.069 62 HG2 LYS 8 2HG LYS 8 -13.576 -13.486 0.756 63 HG3 LYS 8 1HG LYS 8 -12.561 -14.016 -0.587 64 HD2 LYS 8 2HD LYS 8 -15.497 -14.631 -0.525 65 HD3 LYS 8 1HD LYS 8 -14.904 -13.073 -1.102 66 HE2 LYS 8 2HE LYS 8 -13.607 -14.139 -2.820 67 HE3 LYS 8 1HE LYS 8 -13.987 -15.734 -2.179 68 HZ1 LYS 8 3HZ LYS 8 -16.277 -15.430 -2.759 69 HZ2 LYS 8 1HZ LYS 8 -15.326 -15.130 -4.125 70 HZ3 LYS 8 2HZ LYS 8 -15.991 -13.840 -3.263 71 H GLN 9 H GLN 9 -11.734 -16.305 2.778 72 HA GLN 9 HA GLN 9 -11.766 -14.543 5.082 73 HB2 GLN 9 2HB GLN 9 -9.912 -16.695 4.108 74 HB3 GLN 9 1HB GLN 9 -9.394 -15.577 5.358 75 HG2 GLN 9 2HG GLN 9 -10.182 -17.566 6.401 76 HG3 GLN 9 1HG GLN 9 -11.342 -16.280 6.725 77 HE21 GLN 9 1HE2 GLN 9 -13.419 -16.484 5.972 78 HE22 GLN 9 2HE2 GLN 9 -14.005 -17.891 5.152 79 H GLN 10 H GLN 10 -9.466 -15.174 2.441 80 HA GLN 10 HA GLN 10 -8.439 -12.463 2.735 81 HB2 GLN 10 2HB GLN 10 -6.564 -13.161 1.427 82 HB3 GLN 10 1HB GLN 10 -6.878 -14.418 2.612 83 HG2 GLN 10 2HG GLN 10 -7.992 -15.756 0.894 84 HG3 GLN 10 1HG GLN 10 -7.656 -14.492 -0.293 85 HE21 GLN 10 1HE2 GLN 10 -5.483 -14.083 -0.882 86 HE22 GLN 10 2HE2 GLN 10 -4.267 -15.295 -0.683 87 H TYR 11 H TYR 11 -8.482 -10.946 1.098 88 HA TYR 11 HA TYR 11 -9.460 -11.476 -1.515 89 HB2 TYR 11 2HB TYR 11 -11.552 -10.100 -1.309 90 HB3 TYR 11 1HB TYR 11 -11.621 -11.649 -0.479 91 HD1 TYR 11 HD1 TYR 11 -11.432 -8.002 -0.038 92 HD2 TYR 11 HD2 TYR 11 -11.775 -11.768 1.931 93 HE1 TYR 11 HE1 TYR 11 -12.079 -6.854 2.035 94 HE2 TYR 11 HE2 TYR 11 -12.430 -10.620 4.006 95 HH TYR 11 HH TYR 11 -13.373 -7.410 4.125 96 H VAL 12 H VAL 12 -10.368 -9.026 -2.281 97 HA VAL 12 HA VAL 12 -8.322 -7.115 -1.388 98 HB VAL 12 HB VAL 12 -7.513 -8.103 -3.460 99 HG11 VAL 12 1HG1 VAL 12 -9.614 -8.866 -4.412 100 HG12 VAL 12 2HG1 VAL 12 -8.737 -7.870 -5.570 101 HG13 VAL 12 3HG1 VAL 12 -10.113 -7.197 -4.697 102 HG21 VAL 12 3HG2 VAL 12 -8.544 -5.299 -3.885 103 HG22 VAL 12 1HG2 VAL 12 -7.256 -6.071 -4.808 104 HG23 VAL 12 2HG2 VAL 12 -7.036 -5.749 -3.090 105 H THR 13 H THR 13 -8.956 -4.964 -1.376 106 HA THR 13 HA THR 13 -11.502 -4.206 -2.525 107 HB THR 13 HB THR 13 -12.137 -5.130 -0.316 108 HG1 THR 13 HG1 THR 13 -13.566 -3.619 -0.832 109 HG21 THR 13 3HG2 THR 13 -10.420 -2.902 0.783 110 HG22 THR 13 1HG2 THR 13 -10.117 -4.632 0.945 111 HG23 THR 13 2HG2 THR 13 -11.519 -3.907 1.729 112 H ILE 14 H ILE 14 -11.617 -2.049 -2.984 113 HA ILE 14 HA ILE 14 -9.509 -0.271 -1.982 114 HB ILE 14 HB ILE 14 -10.280 -0.372 -4.908 115 HG12 ILE 14 2HG1 ILE 14 -7.715 -1.404 -3.676 116 HG13 ILE 14 1HG1 ILE 14 -9.048 -2.439 -4.164 117 HG21 ILE 14 1HG2 ILE 14 -8.458 1.142 -5.251 118 HG22 ILE 14 2HG2 ILE 14 -7.946 0.989 -3.571 119 HG23 ILE 14 3HG2 ILE 14 -9.471 1.786 -3.960 120 HD11 ILE 14 3HD1 ILE 14 -7.444 -0.653 -5.975 121 HD12 ILE 14 1HD1 ILE 14 -8.778 -1.698 -6.470 122 HD13 ILE 14 2HD1 ILE 14 -7.294 -2.404 -5.832 123 H LYS 15 H LYS 15 -10.366 1.619 -1.306 124 HA LYS 15 HA LYS 15 -12.868 2.549 -2.544 125 HB2 LYS 15 2HB LYS 15 -12.927 1.470 -0.102 126 HB3 LYS 15 1HB LYS 15 -12.401 3.087 0.356 127 HG2 LYS 15 2HG LYS 15 -14.804 2.712 -1.403 128 HG3 LYS 15 1HG LYS 15 -14.937 2.553 0.351 129 HD2 LYS 15 2HD LYS 15 -13.549 4.957 -0.716 130 HD3 LYS 15 1HD LYS 15 -15.303 4.869 -0.920 131 HE2 LYS 15 2HE LYS 15 -14.077 4.306 1.760 132 HE3 LYS 15 1HE LYS 15 -14.313 5.974 1.235 133 HZ1 LYS 15 3HZ LYS 15 -16.641 5.600 1.021 134 HZ2 LYS 15 1HZ LYS 15 -16.176 5.051 2.550 135 HZ3 LYS 15 2HZ LYS 15 -16.473 3.943 1.310 136 H GLY 16 H GLY 16 -12.231 4.280 -3.661 137 HA2 GLY 16 2HA GLY 16 -11.050 6.516 -2.218 138 HA3 GLY 16 1HA GLY 16 -10.089 5.872 -3.544 139 H THR 17 H THR 17 -13.207 7.287 -2.722 140 HA THR 17 HA THR 17 -13.339 8.351 -5.460 141 HB THR 17 HB THR 17 -15.923 8.149 -5.058 142 HG1 THR 17 HG1 THR 17 -15.322 5.788 -3.722 143 HG21 THR 17 3HG2 THR 17 -15.215 6.953 -6.881 144 HG22 THR 17 1HG2 THR 17 -15.653 5.623 -5.809 145 HG23 THR 17 2HG2 THR 17 -13.964 6.102 -5.973 146 H LYS 18 H LYS 18 -15.289 8.659 -2.506 147 HA LYS 18 HA LYS 18 -14.977 11.581 -2.698 148 HB2 LYS 18 2HB LYS 18 -17.165 10.002 -1.325 149 HB3 LYS 18 1HB LYS 18 -17.100 11.750 -1.502 150 HG2 LYS 18 2HG LYS 18 -17.184 11.434 -3.970 151 HG3 LYS 18 1HG LYS 18 -17.432 9.712 -3.690 152 HD2 LYS 18 2HD LYS 18 -19.223 11.889 -2.621 153 HD3 LYS 18 1HD LYS 18 -19.530 10.990 -4.105 154 HE2 LYS 18 2HE LYS 18 -19.478 8.889 -2.743 155 HE3 LYS 18 1HE LYS 18 -19.391 9.897 -1.302 156 HZ1 LYS 18 3HZ LYS 18 -21.632 9.476 -1.505 157 HZ2 LYS 18 1HZ LYS 18 -21.624 9.576 -3.193 158 HZ3 LYS 18 2HZ LYS 18 -21.498 10.980 -2.263 159 H ASN 19 H ASN 19 -12.991 10.045 -1.620 160 HA ASN 19 HA ASN 19 -12.762 11.105 1.043 161 HB2 ASN 19 2HB ASN 19 -12.480 8.996 2.198 162 HB3 ASN 19 1HB ASN 19 -14.004 8.911 1.336 163 HD21 ASN 19 1HD2 ASN 19 -11.841 6.939 2.264 164 HD22 ASN 19 2HD2 ASN 19 -11.606 5.929 0.879 165 H GLY 20 H GLY 20 -10.510 9.536 1.809 166 HA2 GLY 20 2HA GLY 20 -8.541 10.621 0.016 167 HA3 GLY 20 1HA GLY 20 -8.229 9.728 1.502 168 H LEU 21 H LEU 21 -7.943 7.529 1.437 169 HA LEU 21 HA LEU 21 -8.423 5.972 -0.905 170 HB2 LEU 21 2HB LEU 21 -6.464 6.975 -1.775 171 HB3 LEU 21 1HB LEU 21 -5.623 6.833 -0.248 172 HG LEU 21 HG LEU 21 -5.632 4.355 -0.532 173 HD11 LEU 21 1HD1 LEU 21 -6.065 3.476 -2.796 174 HD12 LEU 21 2HD1 LEU 21 -6.685 5.058 -3.262 175 HD13 LEU 21 3HD1 LEU 21 -7.513 4.119 -2.019 176 HD21 LEU 21 3HD2 LEU 21 -3.841 4.319 -2.174 177 HD22 LEU 21 1HD2 LEU 21 -3.684 5.711 -1.103 178 HD23 LEU 21 2HD2 LEU 21 -4.312 5.922 -2.737 179 H THR 22 H THR 22 -9.375 4.415 0.268 180 HA THR 22 HA THR 22 -7.789 3.188 2.431 181 HB THR 22 HB THR 22 -10.747 2.778 2.225 182 HG1 THR 22 HG1 THR 22 -9.442 5.177 2.854 183 HG21 THR 22 3HG2 THR 22 -9.508 1.528 3.897 184 HG22 THR 22 1HG2 THR 22 -10.538 2.720 4.688 185 HG23 THR 22 2HG2 THR 22 -8.809 3.019 4.528 186 H LEU 23 H LEU 23 -6.769 1.542 1.411 187 HA LEU 23 HA LEU 23 -8.459 -0.444 0.087 188 HB2 LEU 23 2HB LEU 23 -7.002 -0.717 -1.730 189 HB3 LEU 23 1HB LEU 23 -7.210 1.011 -1.566 190 HG LEU 23 HG LEU 23 -4.801 -0.508 -0.559 191 HD11 LEU 23 1HD1 LEU 23 -3.632 0.360 -2.493 192 HD12 LEU 23 2HD1 LEU 23 -5.107 1.142 -3.062 193 HD13 LEU 23 3HD1 LEU 23 -5.008 -0.619 -3.003 194 HD21 LEU 23 3HD2 LEU 23 -5.119 1.551 0.644 195 HD22 LEU 23 1HD2 LEU 23 -5.371 2.437 -0.861 196 HD23 LEU 23 2HD2 LEU 23 -3.789 1.755 -0.493 197 H HIS 24 H HIS 24 -7.632 -2.583 0.111 198 HA HIS 24 HA HIS 24 -5.318 -3.165 1.756 199 HB2 HIS 24 2HB HIS 24 -6.777 -3.016 3.580 200 HB3 HIS 24 1HB HIS 24 -8.142 -3.648 2.673 201 HD1 HIS 24 HD1 HIS 24 -8.825 -5.776 3.692 202 HD2 HIS 24 HD2 HIS 24 -4.684 -5.403 3.610 203 HE1 HIS 24 HE1 HIS 24 -7.931 -7.940 4.608 204 H LEU 25 H LEU 25 -4.333 -4.906 0.980 205 HA LEU 25 HA LEU 25 -5.874 -6.803 -0.659 206 HB2 LEU 25 2HB LEU 25 -4.248 -5.540 -1.988 207 HB3 LEU 25 1HB LEU 25 -2.970 -5.998 -0.880 208 HG LEU 25 HG LEU 25 -3.208 -8.345 -1.550 209 HD11 LEU 25 1HD1 LEU 25 -4.707 -9.077 -3.201 210 HD12 LEU 25 2HD1 LEU 25 -5.136 -7.434 -3.664 211 HD13 LEU 25 3HD1 LEU 25 -5.672 -8.082 -2.115 212 HD21 LEU 25 3HD2 LEU 25 -1.617 -6.998 -2.755 213 HD22 LEU 25 1HD2 LEU 25 -2.881 -6.397 -3.828 214 HD23 LEU 25 2HD2 LEU 25 -2.415 -8.097 -3.881 215 H ASP 26 H ASP 26 -5.809 -8.893 -0.037 216 HA ASP 26 HA ASP 26 -3.888 -9.637 2.065 217 HB2 ASP 26 2HB ASP 26 -6.671 -9.504 2.311 218 HB3 ASP 26 1HB ASP 26 -6.326 -11.216 2.091 219 H ASP 27 H ASP 27 -2.595 -10.298 0.219 220 HA ASP 27 HA ASP 27 -3.132 -13.060 -0.495 221 HB2 ASP 27 2HB ASP 27 -3.970 -11.162 -2.271 222 HB3 ASP 27 1HB ASP 27 -2.324 -11.442 -2.832 223 H ALA 28 H ALA 28 -1.275 -14.175 -0.392 224 HA ALA 28 HA ALA 28 1.235 -12.646 -0.267 225 HB1 ALA 28 1HB ALA 28 0.547 -15.414 0.725 226 HB2 ALA 28 2HB ALA 28 2.151 -14.685 0.816 227 HB3 ALA 28 3HB ALA 28 0.806 -13.970 1.704 228 H CYS 29 H CYS 29 3.104 -13.457 -1.355 229 HA CYS 29 HA CYS 29 4.273 -14.246 -3.130 230 HB2 CYS 29 2HB CYS 29 2.227 -16.451 -3.381 231 HB3 CYS 29 1HB CYS 29 3.926 -16.488 -3.837 232 HG CYS 29 HG CYS 29 3.203 -18.072 -1.482 233 H SER 30 H SER 30 1.998 -12.393 -3.530 234 HA SER 30 HA SER 30 1.578 -12.898 -6.394 235 HB2 SER 30 2HB SER 30 -0.401 -11.594 -4.514 236 HB3 SER 30 1HB SER 30 -0.648 -11.940 -6.225 237 HG SER 30 HG SER 30 -1.402 -13.488 -4.390 238 H PHE 31 H PHE 31 1.272 -10.943 -7.675 239 HA PHE 31 HA PHE 31 2.960 -8.794 -6.671 240 HB2 PHE 31 2HB PHE 31 2.247 -9.846 -9.325 241 HB3 PHE 31 1HB PHE 31 2.328 -8.088 -9.240 242 HD1 PHE 31 HD2 PHE 31 4.325 -10.818 -7.665 243 HD2 PHE 31 HD1 PHE 31 4.315 -7.345 -10.129 244 HE1 PHE 31 HE2 PHE 31 6.779 -10.923 -7.824 245 HE2 PHE 31 HE1 PHE 31 6.766 -7.447 -10.290 246 HZ PHE 31 HZ PHE 31 8.004 -9.236 -9.137 247 H ASP 32 H ASP 32 2.194 -6.893 -6.031 248 HA ASP 32 HA ASP 32 -0.665 -6.439 -6.007 249 HB2 ASP 32 2HB ASP 32 0.300 -4.236 -4.835 250 HB3 ASP 32 1HB ASP 32 0.171 -5.771 -3.974 251 H GLU 33 H GLU 33 0.590 -6.344 -8.601 252 HA GLU 33 HA GLU 33 1.112 -3.743 -9.501 253 HB2 GLU 33 2HB GLU 33 0.739 -4.621 -11.738 254 HB3 GLU 33 1HB GLU 33 1.617 -5.806 -10.780 255 HG2 GLU 33 2HG GLU 33 -0.899 -6.620 -10.322 256 HG3 GLU 33 1HG GLU 33 -1.095 -5.924 -11.928 257 H LEU 34 H LEU 34 -1.894 -5.486 -9.044 258 HA LEU 34 HA LEU 34 -3.490 -3.422 -10.291 259 HB2 LEU 34 2HB LEU 34 -3.941 -6.125 -9.268 260 HB3 LEU 34 1HB LEU 34 -5.242 -5.019 -8.882 261 HG LEU 34 HG LEU 34 -5.735 -6.207 -10.931 262 HD11 LEU 34 1HD1 LEU 34 -5.436 -3.930 -12.455 263 HD12 LEU 34 2HD1 LEU 34 -5.458 -3.317 -10.800 264 HD13 LEU 34 3HD1 LEU 34 -6.791 -4.307 -11.393 265 HD21 LEU 34 3HD2 LEU 34 -4.365 -5.961 -12.926 266 HD22 LEU 34 1HD2 LEU 34 -3.452 -6.718 -11.623 267 HD23 LEU 34 2HD2 LEU 34 -3.183 -5.020 -12.018 268 H LEU 35 H LEU 35 -1.950 -3.641 -7.399 269 HA LEU 35 HA LEU 35 -4.055 -2.202 -5.953 270 HB2 LEU 35 2HB LEU 35 -2.819 -4.276 -4.997 271 HB3 LEU 35 1HB LEU 35 -1.511 -3.147 -4.697 272 HG LEU 35 HG LEU 35 -3.252 -1.739 -3.450 273 HD11 LEU 35 1HD1 LEU 35 -5.087 -3.108 -2.466 274 HD12 LEU 35 2HD1 LEU 35 -4.711 -4.363 -3.644 275 HD13 LEU 35 3HD1 LEU 35 -5.267 -2.782 -4.189 276 HD21 LEU 35 3HD2 LEU 35 -2.339 -4.406 -2.396 277 HD22 LEU 35 1HD2 LEU 35 -2.976 -3.096 -1.401 278 HD23 LEU 35 2HD2 LEU 35 -1.476 -2.872 -2.301 279 H ASP 36 H ASP 36 -0.537 -2.089 -6.530 280 HA ASP 36 HA ASP 36 -0.188 0.521 -5.513 281 HB2 ASP 36 2HB ASP 36 1.987 0.050 -5.811 282 HB3 ASP 36 1HB ASP 36 1.507 -1.486 -6.514 283 H GLY 37 H GLY 37 -1.034 -0.684 -8.693 284 HA2 GLY 37 2HA GLY 37 -0.687 1.665 -10.177 285 HA3 GLY 37 1HA GLY 37 -1.818 0.378 -10.568 286 H LEU 38 H LEU 38 -3.502 0.526 -8.331 287 HA LEU 38 HA LEU 38 -5.030 2.869 -9.038 288 HB2 LEU 38 2HB LEU 38 -5.537 0.406 -7.457 289 HB3 LEU 38 1HB LEU 38 -6.493 1.823 -7.064 290 HG LEU 38 HG LEU 38 -6.800 1.808 -9.740 291 HD11 LEU 38 1HD1 LEU 38 -5.453 -0.255 -9.958 292 HD12 LEU 38 2HD1 LEU 38 -7.103 -0.432 -10.551 293 HD13 LEU 38 3HD1 LEU 38 -6.652 -1.104 -8.983 294 HD21 LEU 38 3HD2 LEU 38 -8.427 0.186 -7.791 295 HD22 LEU 38 1HD2 LEU 38 -8.972 0.793 -9.355 296 HD23 LEU 38 2HD2 LEU 38 -8.573 1.923 -8.062 297 H GLN 39 H GLN 39 -3.056 1.777 -6.383 298 HA GLN 39 HA GLN 39 -3.831 3.561 -4.386 299 HB2 GLN 39 2HB GLN 39 -2.351 1.769 -3.818 300 HB3 GLN 39 1HB GLN 39 -1.169 2.277 -5.013 301 HG2 GLN 39 2HG GLN 39 -1.693 4.351 -3.057 302 HG3 GLN 39 1HG GLN 39 -1.140 2.849 -2.314 303 HE21 GLN 39 1HE2 GLN 39 0.934 2.092 -2.771 304 HE22 GLN 39 2HE2 GLN 39 2.138 3.079 -3.517 305 H ASN 40 H ASN 40 -1.202 3.880 -6.761 306 HA ASN 40 HA ASN 40 -0.578 6.552 -6.029 307 HB2 ASN 40 2HB ASN 40 0.771 4.714 -7.403 308 HB3 ASN 40 1HB ASN 40 0.053 5.567 -8.768 309 HD21 ASN 40 1HD2 ASN 40 2.184 5.813 -6.033 310 HD22 ASN 40 2HD2 ASN 40 2.985 7.258 -6.542 311 H MET 41 H MET 41 -2.716 5.124 -8.399 312 HA MET 41 HA MET 41 -3.234 7.401 -9.948 313 HB2 MET 41 2HB MET 41 -3.878 5.191 -10.702 314 HB3 MET 41 1HB MET 41 -4.983 5.011 -9.346 315 HG2 MET 41 2HG MET 41 -6.265 5.501 -11.285 316 HG3 MET 41 1HG MET 41 -6.295 6.920 -10.242 317 HE1 MET 41 3HE MET 41 -3.508 5.612 -12.800 318 HE2 MET 41 1HE MET 41 -4.022 6.519 -14.225 319 HE3 MET 41 2HE MET 41 -5.090 5.307 -13.518 320 H LEU 42 H LEU 42 -5.172 6.037 -7.270 321 HA LEU 42 HA LEU 42 -7.035 8.152 -7.263 322 HB2 LEU 42 2HB LEU 42 -6.369 6.227 -5.047 323 HB3 LEU 42 1HB LEU 42 -7.802 7.239 -5.134 324 HG LEU 42 HG LEU 42 -7.145 5.160 -7.221 325 HD11 LEU 42 1HD1 LEU 42 -7.393 3.925 -5.215 326 HD12 LEU 42 2HD1 LEU 42 -8.922 3.804 -6.086 327 HD13 LEU 42 3HD1 LEU 42 -8.774 4.897 -4.711 328 HD21 LEU 42 3HD2 LEU 42 -9.665 6.663 -6.535 329 HD22 LEU 42 1HD2 LEU 42 -9.552 5.366 -7.722 330 HD23 LEU 42 2HD2 LEU 42 -8.672 6.872 -7.977 331 H SER 43 H SER 43 -4.041 7.680 -5.456 332 HA SER 43 HA SER 43 -4.383 9.740 -3.587 333 HB2 SER 43 2HB SER 43 -1.806 8.712 -4.800 334 HB3 SER 43 1HB SER 43 -1.934 9.674 -3.329 335 HG SER 43 HG SER 43 -2.701 7.008 -3.798 336 H ILE 44 H ILE 44 -3.698 9.872 -6.959 337 HA ILE 44 HA ILE 44 -2.918 12.700 -6.765 338 HB ILE 44 HB ILE 44 -2.781 10.846 -9.146 339 HG12 ILE 44 2HG1 ILE 44 -0.548 11.880 -7.397 340 HG13 ILE 44 1HG1 ILE 44 -1.208 10.250 -7.321 341 HG21 ILE 44 1HG2 ILE 44 -1.679 13.597 -8.798 342 HG22 ILE 44 2HG2 ILE 44 -3.069 13.173 -9.786 343 HG23 ILE 44 3HG2 ILE 44 -1.464 12.574 -10.208 344 HD11 ILE 44 3HD1 ILE 44 0.853 10.252 -8.560 345 HD12 ILE 44 1HD1 ILE 44 0.236 11.497 -9.648 346 HD13 ILE 44 2HD1 ILE 44 -0.486 9.887 -9.647 347 H GLU 45 H GLU 45 -5.288 10.493 -8.062 348 HA GLU 45 HA GLU 45 -6.678 12.293 -9.721 349 HB2 GLU 45 2HB GLU 45 -6.889 9.913 -10.018 350 HB3 GLU 45 1HB GLU 45 -7.526 9.725 -8.394 351 HG2 GLU 45 2HG GLU 45 -9.593 10.564 -8.959 352 HG3 GLU 45 1HG GLU 45 -8.964 11.448 -10.349 353 H GLN 46 H GLN 46 -7.580 11.043 -6.483 354 HA GLN 46 HA GLN 46 -8.768 13.592 -5.831 355 HB2 GLN 46 2HB GLN 46 -10.456 12.222 -7.199 356 HB3 GLN 46 1HB GLN 46 -10.562 11.170 -5.801 357 HG2 GLN 46 2HG GLN 46 -11.188 14.129 -5.820 358 HG3 GLN 46 1HG GLN 46 -12.387 12.841 -5.885 359 HE21 GLN 46 1HE2 GLN 46 -11.392 11.109 -3.951 360 HE22 GLN 46 2HE2 GLN 46 -11.442 11.888 -2.413 361 H TYR 47 H TYR 47 -8.088 13.937 -3.823 362 HA TYR 47 HA TYR 47 -8.492 11.879 -1.803 363 HB2 TYR 47 2HB TYR 47 -6.255 12.041 -0.911 364 HB3 TYR 47 1HB TYR 47 -6.134 11.641 -2.618 365 HD1 TYR 47 HD1 TYR 47 -5.891 13.801 -4.201 366 HD2 TYR 47 HD2 TYR 47 -4.840 13.645 -0.081 367 HE1 TYR 47 HE1 TYR 47 -4.359 15.699 -4.526 368 HE2 TYR 47 HE2 TYR 47 -3.304 15.542 -0.391 369 HH TYR 47 HH TYR 47 -2.016 16.585 -2.261 370 H THR 48 H THR 48 -9.727 14.432 -2.558 371 HA THR 48 HA THR 48 -9.023 16.138 -0.282 372 HB THR 48 HB THR 48 -10.784 16.946 -2.583 373 HG1 THR 48 HG1 THR 48 -9.057 17.025 -3.804 374 HG21 THR 48 3HG2 THR 48 -10.785 18.369 -0.575 375 HG22 THR 48 1HG2 THR 48 -10.050 19.194 -1.951 376 HG23 THR 48 2HG2 THR 48 -9.032 18.516 -0.684 377 H ASP 49 H ASP 49 -10.166 14.848 1.219 378 HA ASP 49 HA ASP 49 -13.068 14.740 0.963 379 HB2 ASP 49 2HB ASP 49 -11.585 12.786 1.749 380 HB3 ASP 49 1HB ASP 49 -11.425 13.676 3.255 381 H GLY 50 H GLY 50 -14.447 15.737 2.415 382 HA2 GLY 50 2HA GLY 50 -13.279 17.995 3.878 383 HA3 GLY 50 1HA GLY 50 -14.978 17.800 3.456 384 H LYS 51 H LYS 51 -14.249 14.856 4.423 385 HA LYS 51 HA LYS 51 -15.018 15.375 7.225 386 HB2 LYS 51 2HB LYS 51 -15.326 12.845 5.596 387 HB3 LYS 51 1HB LYS 51 -15.905 13.090 7.236 388 HG2 LYS 51 2HG LYS 51 -17.858 13.544 6.232 389 HG3 LYS 51 1HG LYS 51 -17.143 15.130 5.952 390 HD2 LYS 51 2HD LYS 51 -18.063 14.366 3.883 391 HD3 LYS 51 1HD LYS 51 -16.305 14.282 3.755 392 HE2 LYS 51 2HE LYS 51 -17.049 11.793 4.749 393 HE3 LYS 51 1HE LYS 51 -18.290 12.181 3.563 394 HZ1 LYS 51 3HZ LYS 51 -15.398 12.414 2.956 395 HZ2 LYS 51 1HZ LYS 51 -16.699 12.378 1.870 396 HZ3 LYS 51 2HZ LYS 51 -16.264 10.979 2.710 397 H GLY 52 H GLY 52 -12.298 15.229 5.825 398 HA2 GLY 52 2HA GLY 52 -10.228 14.714 6.795 399 HA3 GLY 52 1HA GLY 52 -11.047 13.605 7.891 400 H GLN 53 H GLN 53 -9.610 14.012 4.764 401 HA GLN 53 HA GLN 53 -10.349 11.653 3.505 402 HB2 GLN 53 2HB GLN 53 -8.025 11.899 2.365 403 HB3 GLN 53 1HB GLN 53 -9.256 13.120 2.097 404 HG2 GLN 53 2HG GLN 53 -7.327 13.520 4.314 405 HG3 GLN 53 1HG GLN 53 -6.770 13.752 2.659 406 HE21 GLN 53 1HE2 GLN 53 -7.661 15.417 1.416 407 HE22 GLN 53 2HE2 GLN 53 -8.491 16.746 2.159 408 H LYS 54 H LYS 54 -10.090 9.632 4.069 409 HA LYS 54 HA LYS 54 -8.011 8.886 5.949 410 HB2 LYS 54 2HB LYS 54 -10.409 8.193 6.243 411 HB3 LYS 54 1HB LYS 54 -10.233 7.197 4.804 412 HG2 LYS 54 2HG LYS 54 -8.587 5.831 5.878 413 HG3 LYS 54 1HG LYS 54 -8.560 6.899 7.287 414 HD2 LYS 54 2HD LYS 54 -10.925 6.361 7.711 415 HD3 LYS 54 1HD LYS 54 -10.914 5.263 6.330 416 HE2 LYS 54 2HE LYS 54 -9.678 3.684 7.421 417 HE3 LYS 54 1HE LYS 54 -8.847 4.873 8.424 418 HZ1 LYS 54 3HZ LYS 54 -10.451 3.440 9.634 419 HZ2 LYS 54 1HZ LYS 54 -11.706 4.165 8.764 420 HZ3 LYS 54 2HZ LYS 54 -10.747 5.094 9.801 421 H ILE 55 H ILE 55 -6.094 8.451 5.032 422 HA ILE 55 HA ILE 55 -6.068 6.884 2.534 423 HB ILE 55 HB ILE 55 -3.746 8.516 3.551 424 HG12 ILE 55 2HG1 ILE 55 -5.886 9.456 1.629 425 HG13 ILE 55 1HG1 ILE 55 -5.718 10.010 3.291 426 HG21 ILE 55 1HG2 ILE 55 -3.626 6.688 1.710 427 HG22 ILE 55 2HG2 ILE 55 -2.816 8.235 1.458 428 HG23 ILE 55 3HG2 ILE 55 -4.373 7.921 0.697 429 HD11 ILE 55 3HD1 ILE 55 -4.801 11.608 1.703 430 HD12 ILE 55 1HD1 ILE 55 -3.686 10.382 1.100 431 HD13 ILE 55 2HD1 ILE 55 -3.545 10.963 2.760 432 H SER 56 H SER 56 -6.460 5.118 4.210 433 HA SER 56 HA SER 56 -4.042 4.337 5.641 434 HB2 SER 56 2HB SER 56 -6.660 2.852 5.699 435 HB3 SER 56 1HB SER 56 -5.396 2.909 6.926 436 HG SER 56 HG SER 56 -6.248 4.669 7.712 437 H VAL 57 H VAL 57 -2.725 3.640 3.974 438 HA VAL 57 HA VAL 57 -3.620 1.648 2.085 439 HB VAL 57 HB VAL 57 -0.800 2.613 2.601 440 HG11 VAL 57 1HG1 VAL 57 -2.022 1.198 0.235 441 HG12 VAL 57 2HG1 VAL 57 -0.889 0.505 1.394 442 HG13 VAL 57 3HG1 VAL 57 -0.369 1.802 0.319 443 HG21 VAL 57 3HG2 VAL 57 -2.842 3.624 0.625 444 HG22 VAL 57 1HG2 VAL 57 -1.146 4.106 0.676 445 HG23 VAL 57 2HG2 VAL 57 -2.216 4.496 2.023 446 H HIS 58 H HIS 58 -4.052 -0.300 3.004 447 HA HIS 58 HA HIS 58 -2.046 -1.387 4.862 448 HB2 HIS 58 2HB HIS 58 -4.968 -2.014 4.492 449 HB3 HIS 58 1HB HIS 58 -3.895 -3.068 5.406 450 HD1 HIS 58 HD1 HIS 58 -5.826 -2.275 7.259 451 HD2 HIS 58 HD2 HIS 58 -2.887 0.465 6.192 452 HE1 HIS 58 HE1 HIS 58 -5.789 -0.566 9.104 453 H VAL 59 H VAL 59 -0.560 -2.227 3.485 454 HA VAL 59 HA VAL 59 -1.447 -4.110 1.431 455 HB VAL 59 HB VAL 59 1.211 -4.127 1.091 456 HG11 VAL 59 1HG1 VAL 59 0.911 -2.368 -0.602 457 HG12 VAL 59 2HG1 VAL 59 -0.650 -1.968 0.115 458 HG13 VAL 59 3HG1 VAL 59 -0.397 -3.552 -0.617 459 HG21 VAL 59 3HG2 VAL 59 1.448 -2.539 3.072 460 HG22 VAL 59 1HG2 VAL 59 0.773 -1.299 2.018 461 HG23 VAL 59 2HG2 VAL 59 2.289 -2.092 1.588 462 H LYS 60 H LYS 60 -2.100 -5.735 2.901 463 HA LYS 60 HA LYS 60 -0.009 -6.947 4.534 464 HB2 LYS 60 2HB LYS 60 -2.935 -7.679 4.354 465 HB3 LYS 60 1HB LYS 60 -1.779 -8.257 5.548 466 HG2 LYS 60 2HG LYS 60 -1.500 -5.820 6.222 467 HG3 LYS 60 1HG LYS 60 -2.942 -5.505 5.256 468 HD2 LYS 60 2HD LYS 60 -3.937 -5.866 7.272 469 HD3 LYS 60 1HD LYS 60 -3.872 -7.534 6.697 470 HE2 LYS 60 2HE LYS 60 -1.770 -6.248 8.432 471 HE3 LYS 60 1HE LYS 60 -3.106 -7.214 9.052 472 HZ1 LYS 60 3HZ LYS 60 -1.402 -8.736 8.904 473 HZ2 LYS 60 1HZ LYS 60 -0.768 -8.080 7.478 474 HZ3 LYS 60 2HZ LYS 60 -2.195 -8.993 7.435 475 H LEU 61 H LEU 61 1.140 -7.604 2.557 476 HA LEU 61 HA LEU 61 -0.069 -9.688 0.963 477 HB2 LEU 61 2HB LEU 61 2.798 -8.747 1.023 478 HB3 LEU 61 1HB LEU 61 2.064 -9.763 -0.203 479 HG LEU 61 HG LEU 61 0.670 -7.219 0.160 480 HD11 LEU 61 1HD1 LEU 61 2.636 -6.105 0.520 481 HD12 LEU 61 2HD1 LEU 61 2.580 -6.109 -1.244 482 HD13 LEU 61 3HD1 LEU 61 3.595 -7.269 -0.388 483 HD21 LEU 61 3HD2 LEU 61 0.213 -8.748 -1.674 484 HD22 LEU 61 1HD2 LEU 61 1.884 -8.617 -2.220 485 HD23 LEU 61 2HD2 LEU 61 0.822 -7.210 -2.284 486 H GLY 62 H GLY 62 2.961 -9.599 2.852 487 HA2 GLY 62 2HA GLY 62 2.914 -11.268 4.772 488 HA3 GLY 62 1HA GLY 62 2.450 -12.430 3.542 489 H ASN 63 H ASN 63 3.987 -12.835 1.814 490 HA ASN 63 HA ASN 63 6.759 -12.255 2.581 491 HB2 ASN 63 2HB ASN 63 7.351 -14.596 1.950 492 HB3 ASN 63 1HB ASN 63 6.309 -14.491 3.364 493 HD21 ASN 63 1HD2 ASN 63 6.592 -15.573 0.104 494 HD22 ASN 63 2HD2 ASN 63 5.074 -16.403 0.027 495 H ARG 64 H ARG 64 5.190 -10.928 0.622 496 HA ARG 64 HA ARG 64 6.043 -12.002 -1.954 497 HB2 ARG 64 2HB ARG 64 4.268 -10.884 -2.742 498 HB3 ARG 64 1HB ARG 64 3.893 -10.400 -1.099 499 HG2 ARG 64 2HG ARG 64 3.954 -8.348 -2.035 500 HG3 ARG 64 1HG ARG 64 5.677 -8.502 -1.691 501 HD2 ARG 64 2HD ARG 64 6.197 -8.976 -3.914 502 HD3 ARG 64 1HD ARG 64 4.541 -9.437 -4.303 503 HE ARG 64 HE ARG 64 4.021 -6.968 -3.942 504 HH11 ARG 64 1HH1 ARG 64 7.173 -8.070 -5.051 505 HH12 ARG 64 2HH1 ARG 64 7.483 -6.642 -5.983 506 HH21 ARG 64 1HH2 ARG 64 4.425 -5.095 -5.177 507 HH22 ARG 64 2HH2 ARG 64 5.928 -4.957 -6.055 508 H PHE 65 H PHE 65 6.974 -9.734 0.428 509 HA PHE 65 HA PHE 65 8.832 -8.491 0.747 510 HB2 PHE 65 2HB PHE 65 9.855 -10.522 -0.642 511 HB3 PHE 65 1HB PHE 65 10.079 -9.262 -1.853 512 HD1 PHE 65 HD1 PHE 65 10.858 -10.190 1.647 513 HD2 PHE 65 HD2 PHE 65 11.857 -7.741 -1.695 514 HE1 PHE 65 HE1 PHE 65 12.911 -9.471 2.791 515 HE2 PHE 65 HE2 PHE 65 13.914 -7.021 -0.549 516 HZ PHE 65 HZ PHE 65 14.443 -7.888 1.698 517 H LEU 66 H LEU 66 7.127 -6.885 0.311 518 HA LEU 66 HA LEU 66 6.992 -5.542 -2.187 519 HB2 LEU 66 2HB LEU 66 5.194 -5.487 -0.476 520 HB3 LEU 66 1HB LEU 66 6.243 -4.547 0.567 521 HG LEU 66 HG LEU 66 6.305 -2.896 -1.472 522 HD11 LEU 66 1HD1 LEU 66 5.002 -4.520 -2.897 523 HD12 LEU 66 2HD1 LEU 66 4.383 -2.869 -2.836 524 HD13 LEU 66 3HD1 LEU 66 3.603 -4.138 -1.892 525 HD21 LEU 66 3HD2 LEU 66 4.345 -1.732 -0.533 526 HD22 LEU 66 1HD2 LEU 66 5.453 -2.319 0.707 527 HD23 LEU 66 2HD2 LEU 66 3.953 -3.186 0.386 528 H TYR 67 H TYR 67 8.008 -3.699 -2.878 529 HA TYR 67 HA TYR 67 10.511 -3.083 -1.576 530 HB2 TYR 67 2HB TYR 67 9.288 -2.189 -4.183 531 HB3 TYR 67 1HB TYR 67 10.820 -1.567 -3.584 532 HD1 TYR 67 HD2 TYR 67 9.123 -4.788 -4.389 533 HD2 TYR 67 HD1 TYR 67 12.791 -2.661 -4.153 534 HE1 TYR 67 HE2 TYR 67 10.283 -6.705 -5.399 535 HE2 TYR 67 HE1 TYR 67 13.969 -4.571 -5.163 536 HH TYR 67 HH TYR 67 12.579 -6.908 -6.841 537 H LYS 68 H LYS 68 10.011 -1.961 0.278 538 HA LYS 68 HA LYS 68 8.077 0.062 0.471 539 HB2 LYS 68 2HB LYS 68 9.051 0.681 2.566 540 HB3 LYS 68 1HB LYS 68 9.089 -1.074 2.443 541 HG2 LYS 68 2HG LYS 68 11.226 -0.866 3.114 542 HG3 LYS 68 1HG LYS 68 11.545 -0.343 1.455 543 HD2 LYS 68 2HD LYS 68 11.170 1.987 2.117 544 HD3 LYS 68 1HD LYS 68 10.863 1.469 3.776 545 HE2 LYS 68 2HE LYS 68 13.102 0.770 4.075 546 HE3 LYS 68 1HE LYS 68 13.437 0.852 2.346 547 HZ1 LYS 68 3HZ LYS 68 12.576 3.374 3.367 548 HZ2 LYS 68 1HZ LYS 68 13.988 2.973 2.515 549 HZ3 LYS 68 2HZ LYS 68 13.936 2.803 4.201 550 H GLU 69 H GLU 69 11.346 0.115 -0.696 551 HA GLU 69 HA GLU 69 11.863 2.849 -0.457 552 HB2 GLU 69 2HB GLU 69 12.861 0.703 -2.303 553 HB3 GLU 69 1HB GLU 69 13.328 2.374 -2.575 554 HG2 GLU 69 2HG GLU 69 13.764 0.902 0.011 555 HG3 GLU 69 1HG GLU 69 14.970 1.042 -1.271 556 H GLN 70 H GLN 70 10.094 0.982 -2.813 557 HA GLN 70 HA GLN 70 9.792 3.044 -4.751 558 HB2 GLN 70 2HB GLN 70 8.476 0.380 -4.283 559 HB3 GLN 70 1HB GLN 70 7.883 1.473 -5.534 560 HG2 GLN 70 2HG GLN 70 10.625 0.223 -5.343 561 HG3 GLN 70 1HG GLN 70 9.392 -0.071 -6.570 562 HE21 GLN 70 1HE2 GLN 70 9.017 1.505 -8.150 563 HE22 GLN 70 2HE2 GLN 70 10.170 2.750 -8.481 564 H GLU 71 H GLU 71 7.887 1.933 -2.008 565 HA GLU 71 HA GLU 71 5.651 3.634 -2.626 566 HB2 GLU 71 2HB GLU 71 6.384 2.138 -0.103 567 HB3 GLU 71 1HB GLU 71 4.854 2.963 -0.371 568 HG2 GLU 71 2HG GLU 71 5.841 0.789 -2.188 569 HG3 GLU 71 1HG GLU 71 4.901 0.452 -0.734 570 H GLU 72 H GLU 72 8.437 3.729 -0.507 571 HA GLU 72 HA GLU 72 7.766 5.980 1.011 572 HB2 GLU 72 2HB GLU 72 9.632 4.269 1.367 573 HB3 GLU 72 1HB GLU 72 10.570 5.226 0.229 574 HG2 GLU 72 2HG GLU 72 10.959 6.852 1.722 575 HG3 GLU 72 1HG GLU 72 9.342 6.745 2.416 576 H GLN 73 H GLN 73 9.701 5.734 -1.975 577 HA GLN 73 HA GLN 73 10.398 8.423 -2.167 578 HB2 GLN 73 2HB GLN 73 10.728 7.992 -4.597 579 HB3 GLN 73 1HB GLN 73 11.505 6.816 -3.548 580 HG2 GLN 73 2HG GLN 73 10.524 5.218 -4.704 581 HG3 GLN 73 1HG GLN 73 8.968 5.782 -4.100 582 HE21 GLN 73 1HE2 GLN 73 7.860 5.272 -5.969 583 HE22 GLN 73 2HE2 GLN 73 8.078 6.141 -7.447 584 H LEU 74 H LEU 74 7.355 6.893 -3.083 585 HA LEU 74 HA LEU 74 6.467 9.318 -4.407 586 HB2 LEU 74 2HB LEU 74 4.452 8.167 -4.942 587 HB3 LEU 74 1HB LEU 74 5.785 7.068 -5.234 588 HG LEU 74 HG LEU 74 5.096 6.358 -2.702 589 HD11 LEU 74 1HD1 LEU 74 3.195 7.865 -2.620 590 HD12 LEU 74 2HD1 LEU 74 2.642 6.190 -2.640 591 HD13 LEU 74 3HD1 LEU 74 2.549 7.167 -4.106 592 HD21 LEU 74 3HD2 LEU 74 3.975 5.344 -5.308 593 HD22 LEU 74 1HD2 LEU 74 3.897 4.474 -3.776 594 HD23 LEU 74 2HD2 LEU 74 5.461 4.821 -4.515 595 H THR 75 H THR 75 6.116 7.695 -1.335 596 HA THR 75 HA THR 75 3.980 9.291 -0.355 597 HB THR 75 HB THR 75 6.067 7.740 1.200 598 HG1 THR 75 HG1 THR 75 4.877 6.358 -0.141 599 HG21 THR 75 3HG2 THR 75 3.332 8.693 2.052 600 HG22 THR 75 1HG2 THR 75 4.861 9.403 2.565 601 HG23 THR 75 2HG2 THR 75 4.461 7.747 3.024 602 H GLU 76 H GLU 76 7.416 9.694 -0.571 603 HA GLU 76 HA GLU 76 7.994 11.551 1.379 604 HB2 GLU 76 2HB GLU 76 9.048 11.250 -1.432 605 HB3 GLU 76 1HB GLU 76 9.714 12.416 -0.297 606 HG2 GLU 76 2HG GLU 76 9.574 9.452 0.202 607 HG3 GLU 76 1HG GLU 76 10.983 10.290 -0.446 608 H LEU 77 H LEU 77 6.437 12.056 -1.731 609 HA LEU 77 HA LEU 77 6.505 14.862 -1.789 610 HB2 LEU 77 2HB LEU 77 4.787 12.771 -3.059 611 HB3 LEU 77 1HB LEU 77 4.296 14.450 -3.168 612 HG LEU 77 HG LEU 77 6.552 14.940 -4.184 613 HD11 LEU 77 1HD1 LEU 77 7.722 12.943 -3.399 614 HD12 LEU 77 2HD1 LEU 77 7.783 13.079 -5.157 615 HD13 LEU 77 3HD1 LEU 77 6.673 11.935 -4.398 616 HD21 LEU 77 3HD2 LEU 77 4.721 13.035 -5.631 617 HD22 LEU 77 1HD2 LEU 77 5.910 14.091 -6.394 618 HD23 LEU 77 2HD2 LEU 77 4.539 14.786 -5.528 619 H ILE 78 H ILE 78 3.995 12.637 -0.613 620 HA ILE 78 HA ILE 78 2.312 14.761 0.327 621 HB ILE 78 HB ILE 78 2.160 11.815 0.993 622 HG12 ILE 78 2HG1 ILE 78 0.195 12.652 -0.902 623 HG13 ILE 78 1HG1 ILE 78 1.779 13.141 -1.492 624 HG21 ILE 78 1HG2 ILE 78 -0.228 12.294 1.405 625 HG22 ILE 78 2HG2 ILE 78 0.100 14.011 1.166 626 HG23 ILE 78 3HG2 ILE 78 0.844 13.151 2.514 627 HD11 ILE 78 3HD1 ILE 78 0.989 10.356 -0.677 628 HD12 ILE 78 1HD1 ILE 78 2.570 10.847 -1.282 629 HD13 ILE 78 2HD1 ILE 78 1.155 10.947 -2.330 630 H ALA 79 H ALA 79 4.820 12.756 1.682 631 HA ALA 79 HA ALA 79 4.310 12.961 4.404 632 HB1 ALA 79 1HB ALA 79 7.007 12.924 3.061 633 HB2 ALA 79 2HB ALA 79 6.675 12.522 4.744 634 HB3 ALA 79 3HB ALA 79 6.028 11.509 3.452 635 H SER 80 H SER 80 5.593 15.370 2.229 636 HA SER 80 HA SER 80 6.777 17.099 4.092 637 HB2 SER 80 2HB SER 80 5.395 18.352 1.795 638 HB3 SER 80 1HB SER 80 7.082 18.473 2.299 639 HG SER 80 HG SER 80 5.833 16.566 0.651 640 H LYS 81 H LYS 81 3.451 16.584 3.175 641 HA LYS 81 HA LYS 81 2.584 18.361 5.318 642 HB2 LYS 81 2HB LYS 81 0.745 19.221 3.759 643 HB3 LYS 81 1HB LYS 81 2.360 19.877 3.521 644 HG2 LYS 81 2HG LYS 81 2.717 18.367 1.636 645 HG3 LYS 81 1HG LYS 81 1.124 17.652 1.890 646 HD2 LYS 81 2HD LYS 81 0.055 19.768 1.367 647 HD3 LYS 81 1HD LYS 81 1.629 20.558 1.226 648 HE2 LYS 81 2HE LYS 81 2.196 19.090 -0.647 649 HE3 LYS 81 1HE LYS 81 0.620 18.308 -0.513 650 HZ1 LYS 81 3HZ LYS 81 0.752 20.029 -2.263 651 HZ2 LYS 81 1HZ LYS 81 1.004 21.200 -1.067 652 HZ3 LYS 81 2HZ LYS 81 -0.451 20.336 -1.116 653 H LYS 82 H LYS 82 2.648 15.726 5.594 654 HA LYS 82 HA LYS 82 0.222 14.493 4.681 655 HB2 LYS 82 2HB LYS 82 0.930 12.543 6.030 656 HB3 LYS 82 1HB LYS 82 2.155 13.079 4.892 657 HG2 LYS 82 2HG LYS 82 3.510 13.959 6.603 658 HG3 LYS 82 1HG LYS 82 2.193 13.901 7.779 659 HD2 LYS 82 2HD LYS 82 2.218 11.463 7.696 660 HD3 LYS 82 1HD LYS 82 3.517 11.511 6.499 661 HE2 LYS 82 2HE LYS 82 4.560 11.084 8.594 662 HE3 LYS 82 1HE LYS 82 4.882 12.773 8.211 663 HZ1 LYS 82 3HZ LYS 82 2.725 11.840 10.018 664 HZ2 LYS 82 1HZ LYS 82 3.158 13.447 9.717 665 HZ3 LYS 82 2HZ LYS 82 4.227 12.417 10.531 666 H ASP 83 H ASP 83 -0.825 16.506 5.756 667 HA ASP 83 HA ASP 83 -1.378 16.281 8.571 668 HB2 ASP 83 2HB ASP 83 -1.418 18.470 7.493 669 HB3 ASP 83 1HB ASP 83 -2.672 17.930 6.383 670 H LEU 84 H LEU 84 -2.476 14.837 5.748 671 HA LEU 84 HA LEU 84 -5.170 14.282 6.538 672 HB2 LEU 84 2HB LEU 84 -3.597 12.727 4.500 673 HB3 LEU 84 1HB LEU 84 -5.329 12.942 4.591 674 HG LEU 84 HG LEU 84 -4.836 14.288 2.813 675 HD11 LEU 84 1HD1 LEU 84 -4.449 16.166 5.134 676 HD12 LEU 84 2HD1 LEU 84 -5.984 15.674 4.419 677 HD13 LEU 84 3HD1 LEU 84 -4.845 16.640 3.482 678 HD21 LEU 84 3HD2 LEU 84 -2.825 15.579 2.509 679 HD22 LEU 84 1HD2 LEU 84 -2.410 13.921 2.932 680 HD23 LEU 84 2HD2 LEU 84 -2.288 15.198 4.143 681 H PHE 85 H PHE 85 -5.898 11.926 6.683 682 HA PHE 85 HA PHE 85 -4.276 10.655 8.722 683 HB2 PHE 85 2HB PHE 85 -6.954 9.803 7.598 684 HB3 PHE 85 1HB PHE 85 -6.182 9.162 9.041 685 HD1 PHE 85 HD1 PHE 85 -5.916 10.617 11.035 686 HD2 PHE 85 HD2 PHE 85 -8.218 11.794 7.658 687 HE1 PHE 85 HE1 PHE 85 -7.032 12.327 12.401 688 HE2 PHE 85 HE2 PHE 85 -9.341 13.511 9.019 689 HZ PHE 85 HZ PHE 85 -8.746 13.780 11.392 690 H VAL 86 H VAL 86 -2.590 10.338 7.009 691 HA VAL 86 HA VAL 86 -3.105 8.039 5.286 692 HB VAL 86 HB VAL 86 -2.063 9.835 4.114 693 HG11 VAL 86 1HG1 VAL 86 0.042 9.833 6.264 694 HG12 VAL 86 2HG1 VAL 86 -1.155 11.091 5.958 695 HG13 VAL 86 3HG1 VAL 86 0.117 10.775 4.777 696 HG21 VAL 86 3HG2 VAL 86 -1.265 7.624 3.497 697 HG22 VAL 86 1HG2 VAL 86 0.010 7.731 4.710 698 HG23 VAL 86 2HG2 VAL 86 0.021 8.818 3.323 699 H HIS 87 H HIS 87 -2.584 6.062 5.942 700 HA HIS 87 HA HIS 87 -0.240 5.693 7.647 701 HB2 HIS 87 2HB HIS 87 -3.035 4.794 8.334 702 HB3 HIS 87 1HB HIS 87 -1.609 4.015 9.015 703 HD1 HIS 87 HD1 HIS 87 -0.009 5.622 10.460 704 HD2 HIS 87 HD2 HIS 87 -3.808 7.087 9.607 705 HE1 HIS 87 HE1 HIS 87 -0.358 7.559 12.027 706 H SER 88 H SER 88 0.871 4.696 6.029 707 HA SER 88 HA SER 88 -0.290 2.358 4.717 708 HB2 SER 88 2HB SER 88 2.478 3.375 4.181 709 HB3 SER 88 1HB SER 88 1.327 2.637 3.068 710 HG SER 88 HG SER 88 1.427 4.837 2.647 711 H ILE 89 H ILE 89 0.238 0.326 5.273 712 HA ILE 89 HA ILE 89 2.721 -0.213 6.680 713 HB ILE 89 HB ILE 89 1.163 0.306 8.512 714 HG12 ILE 89 2HG1 ILE 89 1.699 -2.669 8.387 715 HG13 ILE 89 1HG1 ILE 89 2.935 -1.466 8.738 716 HG21 ILE 89 1HG2 ILE 89 -0.612 -1.732 8.739 717 HG22 ILE 89 2HG2 ILE 89 -0.594 -1.491 6.990 718 HG23 ILE 89 3HG2 ILE 89 -0.990 -0.147 8.062 719 HD11 ILE 89 3HD1 ILE 89 0.455 -1.949 10.375 720 HD12 ILE 89 1HD1 ILE 89 1.745 -0.800 10.739 721 HD13 ILE 89 2HD1 ILE 89 2.075 -2.532 10.757 722 H ASP 90 H ASP 90 3.533 -2.157 6.210 723 HA ASP 90 HA ASP 90 1.938 -3.941 4.501 724 HB2 ASP 90 2HB ASP 90 4.014 -4.750 3.595 725 HB3 ASP 90 1HB ASP 90 4.116 -2.992 3.624 726 H SER 91 H SER 91 3.082 -6.325 4.729 727 HA SER 91 HA SER 91 3.337 -6.962 7.576 728 HB2 SER 91 2HB SER 91 1.510 -8.508 5.724 729 HB3 SER 91 1HB SER 91 1.723 -8.748 7.460 730 HG SER 91 HG SER 91 1.049 -6.185 6.839 731 H GLU 92 H GLU 92 5.275 -6.806 5.427 732 HA GLU 92 HA GLU 92 5.872 -9.564 4.722 733 HB2 GLU 92 2HB GLU 92 7.656 -7.220 4.219 734 HB3 GLU 92 1HB GLU 92 7.589 -8.739 3.345 735 HG2 GLU 92 2HG GLU 92 5.562 -6.534 3.305 736 HG3 GLU 92 1HG GLU 92 6.654 -6.999 2.008 737 H VAL 93 H VAL 93 8.445 -9.923 4.836 738 HA VAL 93 HA VAL 93 9.128 -9.496 7.652 739 HB VAL 93 HB VAL 93 8.703 -11.863 7.170 740 HG11 VAL 93 1HG1 VAL 93 9.246 -11.904 4.804 741 HG12 VAL 93 2HG1 VAL 93 10.164 -13.134 5.671 742 HG13 VAL 93 3HG1 VAL 93 10.948 -11.635 5.170 743 HG21 VAL 93 3HG2 VAL 93 10.842 -12.795 7.981 744 HG22 VAL 93 1HG2 VAL 93 10.332 -11.365 8.880 745 HG23 VAL 93 2HG2 VAL 93 11.609 -11.239 7.670 746 H ILE 94 H ILE 94 11.030 -8.525 8.121 747 HA ILE 94 HA ILE 94 12.635 -7.630 5.850 748 HB ILE 94 HB ILE 94 12.807 -6.751 8.735 749 HG12 ILE 94 2HG1 ILE 94 10.621 -6.191 7.781 750 HG13 ILE 94 1HG1 ILE 94 11.592 -4.739 8.001 751 HG21 ILE 94 1HG2 ILE 94 13.946 -5.518 6.228 752 HG22 ILE 94 2HG2 ILE 94 14.864 -6.384 7.461 753 HG23 ILE 94 3HG2 ILE 94 14.073 -4.858 7.858 754 HD11 ILE 94 3HD1 ILE 94 10.457 -4.599 5.904 755 HD12 ILE 94 1HD1 ILE 94 11.045 -6.189 5.424 756 HD13 ILE 94 2HD1 ILE 94 12.174 -4.843 5.583 757 H THR 95 H THR 95 14.202 -8.944 5.280 758 HA THR 95 HA THR 95 16.070 -9.900 7.320 759 HB THR 95 HB THR 95 14.525 -11.781 6.779 760 HG1 THR 95 HG1 THR 95 16.476 -12.553 7.353 761 HG21 THR 95 3HG2 THR 95 14.707 -12.842 4.547 762 HG22 THR 95 1HG2 THR 95 15.648 -11.457 3.994 763 HG23 THR 95 2HG2 THR 95 13.967 -11.242 4.488 764 H LYS 96 H LYS 96 18.054 -10.896 6.059 765 HA LYS 96 HA LYS 96 18.954 -8.792 4.281 766 HB2 LYS 96 2HB LYS 96 20.343 -9.750 6.171 767 HB3 LYS 96 1HB LYS 96 20.506 -11.211 5.207 768 HG2 LYS 96 2HG LYS 96 21.653 -10.012 3.477 769 HG3 LYS 96 1HG LYS 96 21.368 -8.477 4.300 770 HD2 LYS 96 2HD LYS 96 22.702 -9.308 6.214 771 HD3 LYS 96 1HD LYS 96 23.054 -10.773 5.297 772 HE2 LYS 96 2HE LYS 96 23.751 -7.968 4.431 773 HE3 LYS 96 1HE LYS 96 24.873 -9.101 5.187 774 HZ1 LYS 96 3HZ LYS 96 23.508 -9.457 2.571 775 HZ2 LYS 96 1HZ LYS 96 24.504 -10.611 3.301 776 HZ3 LYS 96 2HZ LYS 96 25.145 -9.127 2.810 777 H LYS 97 H LYS 97 18.723 -8.929 2.143 778 HA LYS 97 HA LYS 97 19.138 -11.476 0.799 779 HB2 LYS 97 2HB LYS 97 16.714 -11.343 1.207 780 HB3 LYS 97 1HB LYS 97 16.689 -9.804 0.371 781 HG2 LYS 97 2HG LYS 97 15.981 -11.223 -1.302 782 HG3 LYS 97 1HG LYS 97 17.720 -11.178 -1.602 783 HD2 LYS 97 2HD LYS 97 17.287 -13.442 -1.685 784 HD3 LYS 97 1HD LYS 97 17.770 -13.235 -0.001 785 HE2 LYS 97 2HE LYS 97 15.362 -13.051 0.602 786 HE3 LYS 97 1HE LYS 97 14.958 -13.416 -1.076 787 HZ1 LYS 97 3HZ LYS 97 16.028 -15.552 -0.858 788 HZ2 LYS 97 1HZ LYS 97 14.867 -15.382 0.356 789 HZ3 LYS 97 2HZ LYS 97 16.504 -15.202 0.726 790 H GLU 98 H GLU 98 20.112 -11.246 -1.142 791 HA GLU 98 HA GLU 98 20.991 -8.583 -1.864 792 HB2 GLU 98 2HB GLU 98 21.773 -11.359 -2.619 793 HB3 GLU 98 1HB GLU 98 22.127 -10.066 -3.760 794 HG2 GLU 98 2HG GLU 98 23.408 -8.890 -2.080 795 HG3 GLU 98 1HG GLU 98 22.995 -10.111 -0.879 796 H ALA 99 H ALA 99 18.553 -8.239 -2.253 797 HA ALA 99 HA ALA 99 17.678 -9.094 -4.891 798 HB1 ALA 99 1HB ALA 99 16.259 -7.374 -2.863 799 HB2 ALA 99 2HB ALA 99 15.556 -8.078 -4.318 800 HB3 ALA 99 3HB ALA 99 16.095 -9.124 -3.003 801 H GLN 100 H GLN 100 19.459 -7.919 -5.911 802 HA GLN 100 HA GLN 100 19.425 -5.039 -5.841 803 HB2 GLN 100 2HB GLN 100 21.435 -6.636 -6.282 804 HB3 GLN 100 1HB GLN 100 20.831 -6.677 -7.935 805 HG2 GLN 100 2HG GLN 100 22.524 -5.000 -7.839 806 HG3 GLN 100 1HG GLN 100 20.969 -4.177 -7.967 807 HE21 GLN 100 1HE2 GLN 100 21.769 -2.269 -7.058 808 HE22 GLN 100 2HE2 GLN 100 22.144 -2.137 -5.373 809 H GLN 101 H GLN 101 18.482 -3.673 -7.310 810 HA GLN 101 HA GLN 101 16.424 -4.762 -8.982 811 HB2 GLN 101 2HB GLN 101 16.412 -2.528 -7.672 812 HB3 GLN 101 1HB GLN 101 17.328 -1.892 -9.033 813 HG2 GLN 101 2HG GLN 101 15.055 -1.348 -9.437 814 HG3 GLN 101 1HG GLN 101 15.449 -2.678 -10.528 815 HE21 GLN 101 1HE2 GLN 101 14.485 -4.665 -10.229 816 HE22 GLN 101 2HE2 GLN 101 13.161 -4.913 -9.142 817 H ILE 102 H ILE 102 17.826 -6.066 -10.325 818 HA ILE 102 HA ILE 102 18.743 -4.548 -12.649 819 HB ILE 102 HB ILE 102 20.796 -4.942 -11.510 820 HG12 ILE 102 2HG1 ILE 102 21.846 -6.744 -13.073 821 HG13 ILE 102 1HG1 ILE 102 20.255 -6.752 -13.831 822 HG21 ILE 102 1HG2 ILE 102 20.007 -7.840 -11.267 823 HG22 ILE 102 2HG2 ILE 102 20.075 -6.666 -9.953 824 HG23 ILE 102 3HG2 ILE 102 21.555 -7.147 -10.786 825 HD11 ILE 102 3HD1 ILE 102 21.727 -5.278 -15.024 826 HD12 ILE 102 1HD1 ILE 102 22.097 -4.393 -13.544 827 HD13 ILE 102 2HD1 ILE 102 20.470 -4.333 -14.224 828 H ARG 103 H ARG 103 17.023 -5.182 -13.863 829 HA ARG 103 HA ARG 103 17.039 -7.979 -14.713 830 HB2 ARG 103 2HB ARG 103 14.723 -6.519 -13.513 831 HB3 ARG 103 1HB ARG 103 14.409 -7.641 -14.828 832 HG2 ARG 103 2HG ARG 103 15.951 -8.442 -12.371 833 HG3 ARG 103 1HG ARG 103 14.191 -8.558 -12.464 834 HD2 ARG 103 2HD ARG 103 15.419 -9.715 -14.800 835 HD3 ARG 103 1HD ARG 103 16.077 -10.436 -13.332 836 HE ARG 103 HE ARG 103 13.223 -10.421 -14.104 837 HH11 ARG 103 1HH1 ARG 103 15.862 -11.743 -12.198 838 HH12 ARG 103 2HH1 ARG 103 14.941 -13.107 -11.647 839 HH21 ARG 103 1HH2 ARG 103 12.033 -12.227 -13.400 840 HH22 ARG 103 2HH2 ARG 103 12.770 -13.385 -12.334 841 H GLU 104 H GLU 104 16.691 -8.223 -16.867 842 HA GLU 104 HA GLU 104 16.561 -5.781 -18.448 843 HB2 GLU 104 2HB GLU 104 16.934 -8.622 -19.404 844 HB3 GLU 104 1HB GLU 104 17.262 -7.147 -20.306 845 HG2 GLU 104 2HG GLU 104 19.192 -6.705 -19.157 846 HG3 GLU 104 1HG GLU 104 18.683 -7.618 -17.738 847 H GLU 105 H GLU 105 14.265 -7.311 -17.023 848 HA GLU 105 HA GLU 105 12.482 -7.522 -19.350 849 HB2 GLU 105 2HB GLU 105 11.079 -8.994 -17.975 850 HB3 GLU 105 1HB GLU 105 12.709 -9.629 -18.126 851 HG2 GLU 105 2HG GLU 105 13.169 -9.361 -15.929 852 HG3 GLU 105 1HG GLU 105 12.167 -7.918 -15.784 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -26.991 -22.670 -10.127 2 HA2 GLY 1 1HA GLY 1 -28.367 -21.409 -8.636 3 HA3 GLY 1 2HA GLY 1 -28.130 -22.630 -7.394 4 H SER 2 H SER 2 -27.539 -20.093 -6.749 5 HA SER 2 HA SER 2 -24.804 -19.433 -7.261 6 HB2 SER 2 2HB SER 2 -26.492 -18.316 -5.035 7 HB3 SER 2 1HB SER 2 -25.190 -17.527 -5.927 8 HG SER 2 HG SER 2 -27.111 -16.749 -6.725 9 H HIS 3 H HIS 3 -23.185 -19.196 -5.557 10 HA HIS 3 HA HIS 3 -23.433 -21.310 -3.519 11 HB2 HIS 3 2HB HIS 3 -20.984 -20.304 -4.987 12 HB3 HIS 3 1HB HIS 3 -20.911 -21.378 -3.596 13 HD1 HIS 3 HD1 HIS 3 -23.571 -22.958 -4.797 14 HD2 HIS 3 HD2 HIS 3 -19.850 -22.371 -6.546 15 HE1 HIS 3 HE1 HIS 3 -23.335 -24.780 -6.510 16 H MET 4 H MET 4 -22.558 -20.898 -1.450 17 HA MET 4 HA MET 4 -22.603 -18.060 -0.765 18 HB2 MET 4 2HB MET 4 -22.916 -20.593 0.813 19 HB3 MET 4 1HB MET 4 -22.551 -19.077 1.625 20 HG2 MET 4 2HG MET 4 -24.934 -19.610 -0.133 21 HG3 MET 4 1HG MET 4 -24.935 -19.553 1.628 22 HE1 MET 4 3HE MET 4 -26.881 -16.308 0.846 23 HE2 MET 4 1HE MET 4 -26.744 -17.664 1.966 24 HE3 MET 4 2HE MET 4 -27.031 -17.960 0.252 25 H LYS 5 H LYS 5 -20.985 -17.058 0.410 26 HA LYS 5 HA LYS 5 -18.341 -18.198 -0.005 27 HB2 LYS 5 2HB LYS 5 -19.090 -15.457 1.029 28 HB3 LYS 5 1HB LYS 5 -17.499 -15.977 0.490 29 HG2 LYS 5 2HG LYS 5 -18.244 -16.152 -1.768 30 HG3 LYS 5 1HG LYS 5 -19.922 -15.888 -1.292 31 HD2 LYS 5 2HD LYS 5 -19.221 -13.629 -0.444 32 HD3 LYS 5 1HD LYS 5 -17.647 -13.913 -1.190 33 HE2 LYS 5 2HE LYS 5 -20.261 -14.002 -2.690 34 HE3 LYS 5 1HE LYS 5 -19.235 -12.572 -2.579 35 HZ1 LYS 5 3HZ LYS 5 -18.863 -13.851 -4.622 36 HZ2 LYS 5 1HZ LYS 5 -18.384 -15.187 -3.702 37 HZ3 LYS 5 2HZ LYS 5 -17.471 -13.765 -3.668 38 H THR 6 H THR 6 -18.137 -19.739 1.560 39 HA THR 6 HA THR 6 -18.782 -19.276 4.305 40 HB THR 6 HB THR 6 -16.861 -21.394 3.404 41 HG1 THR 6 HG1 THR 6 -19.692 -21.378 2.978 42 HG21 THR 6 3HG2 THR 6 -19.169 -21.431 5.351 43 HG22 THR 6 1HG2 THR 6 -17.484 -21.160 5.790 44 HG23 THR 6 2HG2 THR 6 -17.978 -22.710 5.106 45 H LYS 7 H LYS 7 -15.769 -19.506 2.464 46 HA LYS 7 HA LYS 7 -14.464 -17.803 4.460 47 HB2 LYS 7 2HB LYS 7 -12.500 -19.167 4.542 48 HB3 LYS 7 1HB LYS 7 -13.872 -20.227 4.858 49 HG2 LYS 7 2HG LYS 7 -13.783 -21.102 2.624 50 HG3 LYS 7 1HG LYS 7 -12.560 -19.919 2.159 51 HD2 LYS 7 2HD LYS 7 -11.025 -20.919 3.828 52 HD3 LYS 7 1HD LYS 7 -12.241 -22.153 4.165 53 HE2 LYS 7 2HE LYS 7 -10.979 -21.645 1.472 54 HE3 LYS 7 1HE LYS 7 -10.501 -22.925 2.589 55 HZ1 LYS 7 3HZ LYS 7 -12.694 -23.880 2.404 56 HZ2 LYS 7 1HZ LYS 7 -12.014 -23.716 0.866 57 HZ3 LYS 7 2HZ LYS 7 -13.195 -22.629 1.384 58 H LYS 8 H LYS 8 -12.291 -17.009 3.548 59 HA LYS 8 HA LYS 8 -12.516 -16.627 0.645 60 HB2 LYS 8 2HB LYS 8 -11.711 -14.339 0.930 61 HB3 LYS 8 1HB LYS 8 -13.211 -14.587 1.812 62 HG2 LYS 8 2HG LYS 8 -10.768 -15.062 3.387 63 HG3 LYS 8 1HG LYS 8 -11.004 -13.392 2.867 64 HD2 LYS 8 2HD LYS 8 -13.014 -13.186 4.027 65 HD3 LYS 8 1HD LYS 8 -13.245 -14.931 4.129 66 HE2 LYS 8 2HE LYS 8 -12.636 -14.051 6.299 67 HE3 LYS 8 1HE LYS 8 -11.345 -15.076 5.678 68 HZ1 LYS 8 3HZ LYS 8 -11.379 -12.108 5.598 69 HZ2 LYS 8 1HZ LYS 8 -10.137 -13.098 5.012 70 HZ3 LYS 8 2HZ LYS 8 -10.477 -13.057 6.666 71 H GLN 9 H GLN 9 -10.591 -16.444 -0.495 72 HA GLN 9 HA GLN 9 -8.307 -17.704 0.794 73 HB2 GLN 9 2HB GLN 9 -9.161 -17.167 -2.016 74 HB3 GLN 9 1HB GLN 9 -7.440 -17.321 -1.703 75 HG2 GLN 9 2HG GLN 9 -8.672 -19.402 -2.434 76 HG3 GLN 9 1HG GLN 9 -7.645 -19.539 -1.010 77 HE21 GLN 9 1HE2 GLN 9 -10.954 -19.292 -2.132 78 HE22 GLN 9 2HE2 GLN 9 -11.681 -19.982 -0.724 79 H GLN 10 H GLN 10 -8.968 -14.839 -1.165 80 HA GLN 10 HA GLN 10 -7.173 -13.245 0.441 81 HB2 GLN 10 2HB GLN 10 -6.044 -12.396 -1.703 82 HB3 GLN 10 1HB GLN 10 -5.510 -13.933 -1.043 83 HG2 GLN 10 2HG GLN 10 -7.145 -15.001 -2.685 84 HG3 GLN 10 1HG GLN 10 -7.193 -13.420 -3.465 85 HE21 GLN 10 1HE2 GLN 10 -5.198 -12.529 -4.189 86 HE22 GLN 10 2HE2 GLN 10 -3.907 -13.569 -4.684 87 H TYR 11 H TYR 11 -8.418 -11.582 0.931 88 HA TYR 11 HA TYR 11 -10.466 -10.683 -0.921 89 HB2 TYR 11 2HB TYR 11 -10.138 -10.715 1.913 90 HB3 TYR 11 1HB TYR 11 -10.367 -9.047 1.398 91 HD1 TYR 11 HD2 TYR 11 -11.834 -12.446 1.078 92 HD2 TYR 11 HD1 TYR 11 -12.520 -8.247 0.957 93 HE1 TYR 11 HE2 TYR 11 -14.252 -12.853 0.927 94 HE2 TYR 11 HE1 TYR 11 -14.944 -8.645 0.801 95 HH TYR 11 HH TYR 11 -16.370 -11.612 1.469 96 H VAL 12 H VAL 12 -10.687 -8.484 -1.547 97 HA VAL 12 HA VAL 12 -8.490 -6.666 -1.127 98 HB VAL 12 HB VAL 12 -7.610 -7.974 -2.990 99 HG11 VAL 12 1HG1 VAL 12 -9.650 -8.844 -3.928 100 HG12 VAL 12 2HG1 VAL 12 -8.751 -7.983 -5.176 101 HG13 VAL 12 3HG1 VAL 12 -10.154 -7.228 -4.419 102 HG21 VAL 12 3HG2 VAL 12 -8.305 -5.628 -4.558 103 HG22 VAL 12 1HG2 VAL 12 -6.740 -6.144 -3.929 104 HG23 VAL 12 2HG2 VAL 12 -7.842 -5.225 -2.903 105 H THR 13 H THR 13 -9.156 -4.592 -1.246 106 HA THR 13 HA THR 13 -11.498 -3.848 -2.760 107 HB THR 13 HB THR 13 -12.432 -4.658 -0.587 108 HG1 THR 13 HG1 THR 13 -13.715 -2.772 -0.271 109 HG21 THR 13 3HG2 THR 13 -10.619 -4.028 0.908 110 HG22 THR 13 1HG2 THR 13 -12.121 -3.257 1.422 111 HG23 THR 13 2HG2 THR 13 -10.895 -2.322 0.563 112 H ILE 14 H ILE 14 -11.550 -1.675 -3.238 113 HA ILE 14 HA ILE 14 -9.445 0.021 -2.091 114 HB ILE 14 HB ILE 14 -10.035 -0.018 -5.052 115 HG12 ILE 14 2HG1 ILE 14 -7.590 -1.220 -3.743 116 HG13 ILE 14 1HG1 ILE 14 -9.000 -2.184 -4.170 117 HG21 ILE 14 1HG2 ILE 14 -8.376 1.545 -5.277 118 HG22 ILE 14 2HG2 ILE 14 -7.520 1.007 -3.832 119 HG23 ILE 14 3HG2 ILE 14 -8.988 1.973 -3.680 120 HD11 ILE 14 3HD1 ILE 14 -7.262 -0.618 -6.059 121 HD12 ILE 14 1HD1 ILE 14 -8.719 -1.503 -6.515 122 HD13 ILE 14 2HD1 ILE 14 -7.321 -2.370 -5.878 123 H LYS 15 H LYS 15 -10.562 1.632 -1.153 124 HA LYS 15 HA LYS 15 -12.903 2.703 -2.580 125 HB2 LYS 15 2HB LYS 15 -13.688 2.010 -0.492 126 HB3 LYS 15 1HB LYS 15 -12.218 2.506 0.336 127 HG2 LYS 15 2HG LYS 15 -12.824 4.818 0.192 128 HG3 LYS 15 1HG LYS 15 -14.171 4.453 -0.884 129 HD2 LYS 15 2HD LYS 15 -15.504 4.273 0.879 130 HD3 LYS 15 1HD LYS 15 -14.549 2.903 1.452 131 HE2 LYS 15 2HE LYS 15 -13.061 4.433 2.648 132 HE3 LYS 15 1HE LYS 15 -13.980 5.814 2.047 133 HZ1 LYS 15 3HZ LYS 15 -15.941 4.874 3.199 134 HZ2 LYS 15 1HZ LYS 15 -14.696 5.328 4.247 135 HZ3 LYS 15 2HZ LYS 15 -14.942 3.698 3.889 136 H GLY 16 H GLY 16 -12.681 4.633 -3.498 137 HA2 GLY 16 2HA GLY 16 -11.303 6.792 -2.241 138 HA3 GLY 16 1HA GLY 16 -10.362 6.120 -3.567 139 H THR 17 H THR 17 -13.515 7.515 -2.754 140 HA THR 17 HA THR 17 -13.512 8.819 -5.352 141 HB THR 17 HB THR 17 -14.767 6.872 -5.899 142 HG1 THR 17 HG1 THR 17 -15.651 8.931 -6.569 143 HG21 THR 17 3HG2 THR 17 -16.561 7.414 -3.535 144 HG22 THR 17 1HG2 THR 17 -15.307 6.172 -3.577 145 HG23 THR 17 2HG2 THR 17 -16.684 6.077 -4.676 146 H LYS 18 H LYS 18 -15.341 8.432 -2.305 147 HA LYS 18 HA LYS 18 -15.984 11.297 -2.476 148 HB2 LYS 18 2HB LYS 18 -17.313 9.049 -0.965 149 HB3 LYS 18 1HB LYS 18 -17.705 10.741 -0.705 150 HG2 LYS 18 2HG LYS 18 -18.057 9.175 -3.256 151 HG3 LYS 18 1HG LYS 18 -19.329 9.746 -2.174 152 HD2 LYS 18 2HD LYS 18 -17.479 11.425 -3.873 153 HD3 LYS 18 1HD LYS 18 -19.221 11.224 -4.064 154 HE2 LYS 18 2HE LYS 18 -19.485 12.239 -1.782 155 HE3 LYS 18 1HE LYS 18 -17.764 12.615 -1.821 156 HZ1 LYS 18 3HZ LYS 18 -18.912 14.536 -2.524 157 HZ2 LYS 18 1HZ LYS 18 -19.893 13.671 -3.597 158 HZ3 LYS 18 2HZ LYS 18 -18.247 13.865 -3.927 159 H ASN 19 H ASN 19 -13.948 9.144 -0.999 160 HA ASN 19 HA ASN 19 -13.410 11.015 1.203 161 HB2 ASN 19 2HB ASN 19 -12.986 8.021 1.399 162 HB3 ASN 19 1HB ASN 19 -12.936 9.202 2.705 163 HD21 ASN 19 1HD2 ASN 19 -15.052 10.460 2.944 164 HD22 ASN 19 2HD2 ASN 19 -16.484 9.479 2.930 165 H GLY 20 H GLY 20 -11.028 9.586 2.034 166 HA2 GLY 20 2HA GLY 20 -9.199 10.622 0.108 167 HA3 GLY 20 1HA GLY 20 -8.791 9.782 1.598 168 H LEU 21 H LEU 21 -8.049 7.749 1.471 169 HA LEU 21 HA LEU 21 -8.671 6.120 -0.846 170 HB2 LEU 21 2HB LEU 21 -6.743 7.296 -1.646 171 HB3 LEU 21 1HB LEU 21 -5.874 7.006 -0.153 172 HG LEU 21 HG LEU 21 -5.892 4.565 -0.701 173 HD11 LEU 21 1HD1 LEU 21 -6.304 3.976 -3.084 174 HD12 LEU 21 2HD1 LEU 21 -7.002 5.581 -3.310 175 HD13 LEU 21 3HD1 LEU 21 -7.758 4.441 -2.197 176 HD21 LEU 21 3HD2 LEU 21 -4.139 4.751 -2.424 177 HD22 LEU 21 1HD2 LEU 21 -3.927 5.902 -1.106 178 HD23 LEU 21 2HD2 LEU 21 -4.577 6.444 -2.654 179 H THR 22 H THR 22 -9.492 4.435 0.222 180 HA THR 22 HA THR 22 -7.900 3.278 2.415 181 HB THR 22 HB THR 22 -10.850 2.801 2.147 182 HG1 THR 22 HG1 THR 22 -9.571 5.166 2.894 183 HG21 THR 22 3HG2 THR 22 -9.603 1.450 3.751 184 HG22 THR 22 1HG2 THR 22 -10.692 2.555 4.591 185 HG23 THR 22 2HG2 THR 22 -8.968 2.911 4.508 186 H LEU 23 H LEU 23 -6.861 1.545 1.571 187 HA LEU 23 HA LEU 23 -8.473 -0.362 0.027 188 HB2 LEU 23 2HB LEU 23 -6.648 -0.773 -1.515 189 HB3 LEU 23 1HB LEU 23 -7.122 0.915 -1.569 190 HG LEU 23 HG LEU 23 -4.861 0.208 0.215 191 HD11 LEU 23 1HD1 LEU 23 -4.789 0.004 -2.731 192 HD12 LEU 23 2HD1 LEU 23 -4.094 -1.071 -1.529 193 HD13 LEU 23 3HD1 LEU 23 -3.366 0.507 -1.837 194 HD21 LEU 23 3HD2 LEU 23 -4.032 2.349 -0.485 195 HD22 LEU 23 1HD2 LEU 23 -5.725 2.519 -0.026 196 HD23 LEU 23 2HD2 LEU 23 -5.273 2.463 -1.731 197 H HIS 24 H HIS 24 -7.809 -2.521 0.153 198 HA HIS 24 HA HIS 24 -5.668 -3.233 1.972 199 HB2 HIS 24 2HB HIS 24 -7.308 -2.987 3.647 200 HB3 HIS 24 1HB HIS 24 -8.586 -3.628 2.624 201 HD1 HIS 24 HD1 HIS 24 -9.376 -5.739 3.627 202 HD2 HIS 24 HD2 HIS 24 -5.245 -5.369 3.911 203 HE1 HIS 24 HE1 HIS 24 -8.580 -7.870 4.685 204 H LEU 25 H LEU 25 -4.695 -5.003 1.245 205 HA LEU 25 HA LEU 25 -6.225 -6.930 -0.367 206 HB2 LEU 25 2HB LEU 25 -4.820 -5.720 -1.896 207 HB3 LEU 25 1HB LEU 25 -3.440 -5.862 -0.824 208 HG LEU 25 HG LEU 25 -3.403 -8.306 -1.227 209 HD11 LEU 25 1HD1 LEU 25 -5.787 -8.581 -1.783 210 HD12 LEU 25 2HD1 LEU 25 -4.728 -9.269 -3.014 211 HD13 LEU 25 3HD1 LEU 25 -5.516 -7.718 -3.298 212 HD21 LEU 25 3HD2 LEU 25 -2.199 -8.130 -3.165 213 HD22 LEU 25 1HD2 LEU 25 -2.264 -6.439 -2.670 214 HD23 LEU 25 2HD2 LEU 25 -3.360 -7.034 -3.915 215 H ASP 26 H ASP 26 -5.990 -9.014 0.267 216 HA ASP 26 HA ASP 26 -3.968 -9.560 2.344 217 HB2 ASP 26 2HB ASP 26 -6.757 -9.765 2.528 218 HB3 ASP 26 1HB ASP 26 -6.190 -11.422 2.359 219 H ASP 27 H ASP 27 -2.839 -9.904 0.114 220 HA ASP 27 HA ASP 27 -3.068 -12.750 -0.588 221 HB2 ASP 27 2HB ASP 27 -3.811 -11.736 -2.566 222 HB3 ASP 27 1HB ASP 27 -2.734 -10.362 -2.383 223 H ALA 28 H ALA 28 -1.161 -13.864 -0.782 224 HA ALA 28 HA ALA 28 1.303 -12.367 -0.175 225 HB1 ALA 28 1HB ALA 28 0.422 -15.020 0.950 226 HB2 ALA 28 2HB ALA 28 2.056 -14.374 1.107 227 HB3 ALA 28 3HB ALA 28 0.695 -13.515 1.830 228 H CYS 29 H CYS 29 3.184 -13.126 -1.130 229 HA CYS 29 HA CYS 29 4.564 -14.124 -2.615 230 HB2 CYS 29 2HB CYS 29 2.376 -16.191 -2.837 231 HB3 CYS 29 1HB CYS 29 3.956 -16.327 -3.603 232 HG CYS 29 HG CYS 29 3.307 -17.705 -0.960 233 H SER 30 H SER 30 1.261 -13.498 -3.589 234 HA SER 30 HA SER 30 1.918 -13.449 -6.402 235 HB2 SER 30 2HB SER 30 -0.586 -12.301 -5.124 236 HB3 SER 30 1HB SER 30 -0.376 -12.924 -6.776 237 HG SER 30 HG SER 30 -1.043 -14.221 -4.491 238 H PHE 31 H PHE 31 1.127 -11.263 -7.574 239 HA PHE 31 HA PHE 31 2.546 -9.102 -6.174 240 HB2 PHE 31 2HB PHE 31 3.406 -10.012 -8.437 241 HB3 PHE 31 1HB PHE 31 2.041 -9.147 -9.137 242 HD1 PHE 31 HD1 PHE 31 4.475 -8.296 -6.438 243 HD2 PHE 31 HD2 PHE 31 2.789 -7.257 -10.202 244 HE1 PHE 31 HE1 PHE 31 5.805 -6.227 -6.461 245 HE2 PHE 31 HE2 PHE 31 4.114 -5.187 -10.230 246 HZ PHE 31 HZ PHE 31 5.627 -4.669 -8.354 247 H ASP 32 H ASP 32 1.674 -7.049 -6.100 248 HA ASP 32 HA ASP 32 -1.231 -6.953 -6.490 249 HB2 ASP 32 2HB ASP 32 -1.142 -5.051 -4.916 250 HB3 ASP 32 1HB ASP 32 -0.430 -6.501 -4.226 251 H GLU 33 H GLU 33 0.014 -6.756 -8.827 252 HA GLU 33 HA GLU 33 0.894 -4.224 -9.650 253 HB2 GLU 33 2HB GLU 33 0.690 -5.024 -11.889 254 HB3 GLU 33 1HB GLU 33 1.203 -6.381 -10.901 255 HG2 GLU 33 2HG GLU 33 -1.642 -5.889 -11.731 256 HG3 GLU 33 1HG GLU 33 -0.523 -6.914 -12.623 257 H LEU 34 H LEU 34 -2.331 -5.572 -9.370 258 HA LEU 34 HA LEU 34 -3.554 -3.313 -10.724 259 HB2 LEU 34 2HB LEU 34 -4.420 -5.943 -9.805 260 HB3 LEU 34 1HB LEU 34 -5.582 -4.693 -9.413 261 HG LEU 34 HG LEU 34 -6.131 -5.735 -11.535 262 HD11 LEU 34 1HD1 LEU 34 -5.115 -3.098 -12.366 263 HD12 LEU 34 2HD1 LEU 34 -6.289 -3.169 -11.059 264 HD13 LEU 34 3HD1 LEU 34 -6.687 -3.836 -12.643 265 HD21 LEU 34 3HD2 LEU 34 -4.689 -5.556 -13.472 266 HD22 LEU 34 1HD2 LEU 34 -3.878 -6.441 -12.180 267 HD23 LEU 34 2HD2 LEU 34 -3.455 -4.759 -12.497 268 H LEU 35 H LEU 35 -2.513 -4.003 -7.576 269 HA LEU 35 HA LEU 35 -4.476 -2.309 -6.277 270 HB2 LEU 35 2HB LEU 35 -3.366 -4.394 -5.270 271 HB3 LEU 35 1HB LEU 35 -1.964 -3.370 -5.035 272 HG LEU 35 HG LEU 35 -3.534 -1.805 -3.751 273 HD11 LEU 35 1HD1 LEU 35 -5.462 -2.921 -2.715 274 HD12 LEU 35 2HD1 LEU 35 -5.195 -4.318 -3.760 275 HD13 LEU 35 3HD1 LEU 35 -5.639 -2.764 -4.464 276 HD21 LEU 35 3HD2 LEU 35 -2.913 -4.528 -2.629 277 HD22 LEU 35 1HD2 LEU 35 -3.224 -3.065 -1.700 278 HD23 LEU 35 2HD2 LEU 35 -1.790 -3.173 -2.719 279 H ASP 36 H ASP 36 -0.953 -2.290 -6.764 280 HA ASP 36 HA ASP 36 -0.472 0.255 -5.708 281 HB2 ASP 36 2HB ASP 36 1.650 -0.339 -6.119 282 HB3 ASP 36 1HB ASP 36 1.070 -1.748 -6.992 283 H GLY 37 H GLY 37 -1.589 -0.725 -8.867 284 HA2 GLY 37 2HA GLY 37 -1.190 1.686 -10.252 285 HA3 GLY 37 1HA GLY 37 -2.401 0.474 -10.644 286 H LEU 38 H LEU 38 -4.083 0.500 -8.542 287 HA LEU 38 HA LEU 38 -5.548 2.917 -8.955 288 HB2 LEU 38 2HB LEU 38 -5.965 0.397 -7.441 289 HB3 LEU 38 1HB LEU 38 -6.844 1.801 -6.876 290 HG LEU 38 HG LEU 38 -8.215 0.460 -8.380 291 HD11 LEU 38 1HD1 LEU 38 -8.933 2.209 -9.879 292 HD12 LEU 38 2HD1 LEU 38 -7.399 3.053 -9.679 293 HD13 LEU 38 3HD1 LEU 38 -8.507 2.902 -8.316 294 HD21 LEU 38 3HD2 LEU 38 -6.476 -0.556 -9.728 295 HD22 LEU 38 1HD2 LEU 38 -6.070 1.010 -10.427 296 HD23 LEU 38 2HD2 LEU 38 -7.638 0.274 -10.764 297 H GLN 39 H GLN 39 -3.523 1.647 -6.401 298 HA GLN 39 HA GLN 39 -4.093 3.455 -4.353 299 HB2 GLN 39 2HB GLN 39 -2.769 1.524 -3.868 300 HB3 GLN 39 1HB GLN 39 -1.576 1.949 -5.082 301 HG2 GLN 39 2HG GLN 39 -1.834 4.023 -3.087 302 HG3 GLN 39 1HG GLN 39 -1.457 2.462 -2.359 303 HE21 GLN 39 1HE2 GLN 39 0.483 1.411 -2.956 304 HE22 GLN 39 2HE2 GLN 39 1.812 2.289 -3.639 305 H ASN 40 H ASN 40 -1.496 3.597 -6.780 306 HA ASN 40 HA ASN 40 -0.595 6.172 -6.013 307 HB2 ASN 40 2HB ASN 40 0.519 4.236 -7.459 308 HB3 ASN 40 1HB ASN 40 -0.140 5.181 -8.789 309 HD21 ASN 40 1HD2 ASN 40 2.124 5.114 -6.158 310 HD22 ASN 40 2HD2 ASN 40 3.040 6.495 -6.656 311 H MET 41 H MET 41 -2.841 5.047 -8.481 312 HA MET 41 HA MET 41 -3.118 7.478 -9.860 313 HB2 MET 41 2HB MET 41 -4.599 4.934 -9.729 314 HB3 MET 41 1HB MET 41 -5.528 6.328 -10.265 315 HG2 MET 41 2HG MET 41 -2.998 5.263 -11.489 316 HG3 MET 41 1HG MET 41 -4.621 5.200 -12.171 317 HE1 MET 41 3HE MET 41 -4.627 6.499 -14.352 318 HE2 MET 41 1HE MET 41 -2.909 6.124 -14.233 319 HE3 MET 41 2HE MET 41 -3.427 7.745 -14.696 320 H LEU 42 H LEU 42 -5.312 6.068 -7.411 321 HA LEU 42 HA LEU 42 -7.055 8.273 -7.368 322 HB2 LEU 42 2HB LEU 42 -6.539 6.239 -5.206 323 HB3 LEU 42 1HB LEU 42 -7.906 7.339 -5.260 324 HG LEU 42 HG LEU 42 -7.346 5.250 -7.369 325 HD11 LEU 42 1HD1 LEU 42 -7.810 4.280 -5.129 326 HD12 LEU 42 2HD1 LEU 42 -9.030 3.898 -6.345 327 HD13 LEU 42 3HD1 LEU 42 -9.354 5.135 -5.130 328 HD21 LEU 42 3HD2 LEU 42 -9.744 6.989 -6.798 329 HD22 LEU 42 1HD2 LEU 42 -9.697 5.683 -7.983 330 HD23 LEU 42 2HD2 LEU 42 -8.670 7.101 -8.190 331 H SER 43 H SER 43 -4.142 7.610 -5.501 332 HA SER 43 HA SER 43 -4.511 9.633 -3.569 333 HB2 SER 43 2HB SER 43 -2.868 7.680 -3.503 334 HB3 SER 43 1HB SER 43 -1.824 8.659 -4.531 335 HG SER 43 HG SER 43 -2.215 10.327 -2.785 336 H ILE 44 H ILE 44 -3.446 9.769 -6.866 337 HA ILE 44 HA ILE 44 -2.528 12.533 -6.490 338 HB ILE 44 HB ILE 44 -2.232 10.762 -8.923 339 HG12 ILE 44 2HG1 ILE 44 -0.140 11.539 -6.882 340 HG13 ILE 44 1HG1 ILE 44 -0.970 9.990 -6.903 341 HG21 ILE 44 1HG2 ILE 44 -1.891 13.553 -8.563 342 HG22 ILE 44 2HG2 ILE 44 -1.631 12.591 -10.014 343 HG23 ILE 44 3HG2 ILE 44 -0.315 12.827 -8.861 344 HD11 ILE 44 3HD1 ILE 44 1.222 9.805 -7.914 345 HD12 ILE 44 1HD1 ILE 44 0.812 11.075 -9.068 346 HD13 ILE 44 2HD1 ILE 44 -0.038 9.532 -9.119 347 H GLU 45 H GLU 45 -5.057 10.620 -7.852 348 HA GLU 45 HA GLU 45 -6.061 12.582 -9.655 349 HB2 GLU 45 2HB GLU 45 -6.471 10.037 -9.664 350 HB3 GLU 45 1HB GLU 45 -7.715 10.372 -8.467 351 HG2 GLU 45 2HG GLU 45 -8.819 10.300 -10.534 352 HG3 GLU 45 1HG GLU 45 -8.688 12.012 -10.130 353 H GLN 46 H GLN 46 -7.563 11.303 -6.666 354 HA GLN 46 HA GLN 46 -8.203 13.964 -5.782 355 HB2 GLN 46 2HB GLN 46 -9.992 13.761 -7.345 356 HB3 GLN 46 1HB GLN 46 -10.351 12.122 -6.817 357 HG2 GLN 46 2HG GLN 46 -10.566 13.746 -4.530 358 HG3 GLN 46 1HG GLN 46 -11.401 14.599 -5.832 359 HE21 GLN 46 1HE2 GLN 46 -11.185 11.515 -4.139 360 HE22 GLN 46 2HE2 GLN 46 -12.828 11.050 -4.426 361 H TYR 47 H TYR 47 -7.855 13.881 -3.673 362 HA TYR 47 HA TYR 47 -8.900 11.611 -2.133 363 HB2 TYR 47 2HB TYR 47 -6.873 11.609 -0.739 364 HB3 TYR 47 1HB TYR 47 -6.486 11.254 -2.417 365 HD1 TYR 47 HD1 TYR 47 -5.715 13.324 -3.856 366 HD2 TYR 47 HD2 TYR 47 -5.625 13.199 0.399 367 HE1 TYR 47 HE1 TYR 47 -4.028 15.113 -3.842 368 HE2 TYR 47 HE2 TYR 47 -3.944 14.991 0.419 369 HH TYR 47 HH TYR 47 -2.127 15.821 -1.308 370 H THR 48 H THR 48 -9.753 14.368 -2.733 371 HA THR 48 HA THR 48 -9.473 15.778 -0.227 372 HB THR 48 HB THR 48 -11.317 16.864 -2.235 373 HG1 THR 48 HG1 THR 48 -9.753 17.241 -3.771 374 HG21 THR 48 3HG2 THR 48 -10.531 18.161 -0.315 375 HG22 THR 48 1HG2 THR 48 -9.996 18.891 -1.828 376 HG23 THR 48 2HG2 THR 48 -8.863 17.957 -0.851 377 H ASP 49 H ASP 49 -10.644 14.506 1.218 378 HA ASP 49 HA ASP 49 -13.378 13.784 0.737 379 HB2 ASP 49 2HB ASP 49 -12.018 12.395 2.190 380 HB3 ASP 49 1HB ASP 49 -11.691 13.760 3.249 381 H GLY 50 H GLY 50 -11.983 15.805 3.331 382 HA2 GLY 50 2HA GLY 50 -12.707 18.201 3.335 383 HA3 GLY 50 1HA GLY 50 -14.325 17.578 3.045 384 H LYS 51 H LYS 51 -14.257 15.396 4.799 385 HA LYS 51 HA LYS 51 -14.527 16.822 7.309 386 HB2 LYS 51 2HB LYS 51 -15.383 14.009 6.765 387 HB3 LYS 51 1HB LYS 51 -15.970 15.093 8.020 388 HG2 LYS 51 2HG LYS 51 -16.323 15.565 5.090 389 HG3 LYS 51 1HG LYS 51 -17.523 14.763 6.102 390 HD2 LYS 51 2HD LYS 51 -16.457 17.531 6.599 391 HD3 LYS 51 1HD LYS 51 -17.915 17.204 5.669 392 HE2 LYS 51 2HE LYS 51 -17.425 16.617 8.585 393 HE3 LYS 51 1HE LYS 51 -18.577 17.753 7.894 394 HZ1 LYS 51 3HZ LYS 51 -19.658 15.770 6.828 395 HZ2 LYS 51 1HZ LYS 51 -19.798 15.857 8.511 396 HZ3 LYS 51 2HZ LYS 51 -18.688 14.795 7.813 397 H GLY 52 H GLY 52 -12.907 14.126 5.875 398 HA2 GLY 52 2HA GLY 52 -10.605 14.233 7.416 399 HA3 GLY 52 1HA GLY 52 -11.691 13.126 8.247 400 H GLN 53 H GLN 53 -10.076 13.753 5.175 401 HA GLN 53 HA GLN 53 -10.745 11.356 3.898 402 HB2 GLN 53 2HB GLN 53 -8.444 11.797 2.684 403 HB3 GLN 53 1HB GLN 53 -9.835 12.829 2.393 404 HG2 GLN 53 2HG GLN 53 -8.010 13.615 4.576 405 HG3 GLN 53 1HG GLN 53 -7.407 13.758 2.929 406 HE21 GLN 53 1HE2 GLN 53 -8.246 15.286 1.587 407 HE22 GLN 53 2HE2 GLN 53 -9.323 16.529 2.127 408 H LYS 54 H LYS 54 -10.258 9.340 4.368 409 HA LYS 54 HA LYS 54 -8.051 8.777 6.178 410 HB2 LYS 54 2HB LYS 54 -10.449 7.848 6.409 411 HB3 LYS 54 1HB LYS 54 -10.010 6.766 5.093 412 HG2 LYS 54 2HG LYS 54 -8.039 6.055 6.515 413 HG3 LYS 54 1HG LYS 54 -8.806 6.931 7.839 414 HD2 LYS 54 2HD LYS 54 -10.141 4.730 6.273 415 HD3 LYS 54 1HD LYS 54 -9.297 4.487 7.803 416 HE2 LYS 54 2HE LYS 54 -11.702 6.243 7.342 417 HE3 LYS 54 1HE LYS 54 -11.688 4.688 8.169 418 HZ1 LYS 54 3HZ LYS 54 -11.707 6.541 9.725 419 HZ2 LYS 54 1HZ LYS 54 -10.264 7.136 9.075 420 HZ3 LYS 54 2HZ LYS 54 -10.281 5.650 9.875 421 H ILE 55 H ILE 55 -6.172 8.689 5.058 422 HA ILE 55 HA ILE 55 -6.124 7.161 2.546 423 HB ILE 55 HB ILE 55 -3.835 8.818 3.596 424 HG12 ILE 55 2HG1 ILE 55 -6.021 9.810 1.752 425 HG13 ILE 55 1HG1 ILE 55 -5.922 10.209 3.464 426 HG21 ILE 55 1HG2 ILE 55 -3.574 7.146 1.708 427 HG22 ILE 55 2HG2 ILE 55 -3.054 8.797 1.372 428 HG23 ILE 55 3HG2 ILE 55 -4.596 8.217 0.750 429 HD11 ILE 55 3HD1 ILE 55 -5.046 12.009 2.120 430 HD12 ILE 55 1HD1 ILE 55 -3.900 10.911 1.352 431 HD13 ILE 55 2HD1 ILE 55 -3.753 11.277 3.071 432 H SER 56 H SER 56 -6.363 5.233 3.946 433 HA SER 56 HA SER 56 -3.845 4.487 5.269 434 HB2 SER 56 2HB SER 56 -6.563 3.214 5.637 435 HB3 SER 56 1HB SER 56 -5.116 2.944 6.608 436 HG SER 56 HG SER 56 -5.551 5.538 6.610 437 H VAL 57 H VAL 57 -2.595 3.434 3.896 438 HA VAL 57 HA VAL 57 -3.750 1.578 1.959 439 HB VAL 57 HB VAL 57 -0.830 2.269 2.358 440 HG11 VAL 57 1HG1 VAL 57 -2.317 0.989 0.071 441 HG12 VAL 57 2HG1 VAL 57 -1.120 0.233 1.121 442 HG13 VAL 57 3HG1 VAL 57 -0.632 1.507 0.004 443 HG21 VAL 57 3HG2 VAL 57 -2.849 3.563 0.529 444 HG22 VAL 57 1HG2 VAL 57 -1.106 3.823 0.454 445 HG23 VAL 57 2HG2 VAL 57 -2.013 4.317 1.885 446 H HIS 58 H HIS 58 -4.334 -0.284 2.979 447 HA HIS 58 HA HIS 58 -2.447 -1.465 4.886 448 HB2 HIS 58 2HB HIS 58 -5.359 -2.044 4.325 449 HB3 HIS 58 1HB HIS 58 -4.371 -3.034 5.389 450 HD1 HIS 58 HD1 HIS 58 -6.640 -1.966 6.814 451 HD2 HIS 58 HD2 HIS 58 -3.247 0.368 6.245 452 HE1 HIS 58 HE1 HIS 58 -6.736 -0.193 8.590 453 H VAL 59 H VAL 59 -0.932 -2.300 3.471 454 HA VAL 59 HA VAL 59 -1.859 -4.237 1.482 455 HB VAL 59 HB VAL 59 0.829 -4.250 1.147 456 HG11 VAL 59 1HG1 VAL 59 0.460 -2.683 -0.709 457 HG12 VAL 59 2HG1 VAL 59 -1.112 -2.267 -0.027 458 HG13 VAL 59 3HG1 VAL 59 -0.808 -3.904 -0.606 459 HG21 VAL 59 3HG2 VAL 59 1.045 -2.503 2.955 460 HG22 VAL 59 1HG2 VAL 59 0.221 -1.387 1.866 461 HG23 VAL 59 2HG2 VAL 59 1.773 -2.083 1.406 462 H LYS 60 H LYS 60 -2.500 -5.690 3.228 463 HA LYS 60 HA LYS 60 -0.442 -6.878 4.852 464 HB2 LYS 60 2HB LYS 60 -2.891 -6.576 5.508 465 HB3 LYS 60 1HB LYS 60 -3.241 -7.925 4.433 466 HG2 LYS 60 2HG LYS 60 -2.522 -9.436 5.909 467 HG3 LYS 60 1HG LYS 60 -1.096 -8.485 6.333 468 HD2 LYS 60 2HD LYS 60 -3.858 -7.772 7.294 469 HD3 LYS 60 1HD LYS 60 -2.813 -8.887 8.174 470 HE2 LYS 60 2HE LYS 60 -1.060 -7.017 8.068 471 HE3 LYS 60 1HE LYS 60 -2.400 -5.963 7.623 472 HZ1 LYS 60 3HZ LYS 60 -3.514 -6.587 9.680 473 HZ2 LYS 60 1HZ LYS 60 -2.001 -5.898 9.995 474 HZ3 LYS 60 2HZ LYS 60 -2.208 -7.572 10.110 475 H LEU 61 H LEU 61 0.723 -7.242 2.706 476 HA LEU 61 HA LEU 61 -0.080 -9.457 1.093 477 HB2 LEU 61 2HB LEU 61 2.565 -8.024 1.352 478 HB3 LEU 61 1HB LEU 61 2.218 -9.250 0.146 479 HG LEU 61 HG LEU 61 0.416 -6.880 0.285 480 HD11 LEU 61 1HD1 LEU 61 2.578 -5.832 0.417 481 HD12 LEU 61 2HD1 LEU 61 1.937 -5.639 -1.213 482 HD13 LEU 61 3HD1 LEU 61 3.188 -6.840 -0.895 483 HD21 LEU 61 3HD2 LEU 61 0.269 -7.240 -2.092 484 HD22 LEU 61 1HD2 LEU 61 0.010 -8.771 -1.257 485 HD23 LEU 61 2HD2 LEU 61 1.560 -8.441 -2.029 486 H GLY 62 H GLY 62 2.984 -9.166 2.848 487 HA2 GLY 62 2HA GLY 62 3.196 -10.812 4.782 488 HA3 GLY 62 1HA GLY 62 2.716 -11.997 3.578 489 H ASN 63 H ASN 63 4.379 -13.136 2.820 490 HA ASN 63 HA ASN 63 7.076 -12.134 3.103 491 HB2 ASN 63 2HB ASN 63 7.757 -14.351 2.320 492 HB3 ASN 63 1HB ASN 63 6.534 -14.496 3.577 493 HD21 ASN 63 1HD2 ASN 63 7.339 -15.157 0.305 494 HD22 ASN 63 2HD2 ASN 63 5.879 -15.988 -0.108 495 H ARG 64 H ARG 64 5.125 -10.935 1.161 496 HA ARG 64 HA ARG 64 5.960 -11.515 -1.474 497 HB2 ARG 64 2HB ARG 64 3.884 -10.396 -1.219 498 HB3 ARG 64 1HB ARG 64 4.589 -9.148 -0.207 499 HG2 ARG 64 2HG ARG 64 4.143 -8.150 -2.298 500 HG3 ARG 64 1HG ARG 64 5.889 -8.393 -2.230 501 HD2 ARG 64 2HD ARG 64 4.266 -10.566 -3.428 502 HD3 ARG 64 1HD ARG 64 4.402 -9.070 -4.348 503 HE ARG 64 HE ARG 64 6.956 -9.890 -3.468 504 HH11 ARG 64 1HH1 ARG 64 4.460 -10.773 -5.756 505 HH12 ARG 64 2HH1 ARG 64 5.573 -11.449 -6.906 506 HH21 ARG 64 1HH2 ARG 64 8.429 -10.789 -4.988 507 HH22 ARG 64 2HH2 ARG 64 7.818 -11.481 -6.462 508 H PHE 65 H PHE 65 7.082 -9.301 1.002 509 HA PHE 65 HA PHE 65 8.875 -7.923 1.173 510 HB2 PHE 65 2HB PHE 65 9.865 -10.314 0.635 511 HB3 PHE 65 1HB PHE 65 10.362 -9.531 -0.861 512 HD1 PHE 65 HD1 PHE 65 10.480 -9.036 2.823 513 HD2 PHE 65 HD2 PHE 65 12.389 -8.434 -0.928 514 HE1 PHE 65 HE1 PHE 65 12.441 -8.103 3.978 515 HE2 PHE 65 HE2 PHE 65 14.357 -7.503 0.220 516 HZ PHE 65 HZ PHE 65 14.388 -7.335 2.673 517 H LEU 66 H LEU 66 7.342 -6.486 -0.069 518 HA LEU 66 HA LEU 66 7.933 -5.931 -2.816 519 HB2 LEU 66 2HB LEU 66 5.713 -5.553 -1.735 520 HB3 LEU 66 1HB LEU 66 6.430 -4.254 -0.802 521 HG LEU 66 HG LEU 66 6.887 -3.019 -2.890 522 HD11 LEU 66 1HD1 LEU 66 5.522 -5.382 -4.160 523 HD12 LEU 66 2HD1 LEU 66 7.143 -4.769 -4.479 524 HD13 LEU 66 3HD1 LEU 66 5.735 -3.830 -4.967 525 HD21 LEU 66 3HD2 LEU 66 4.002 -3.878 -2.675 526 HD22 LEU 66 1HD2 LEU 66 4.614 -2.359 -3.333 527 HD23 LEU 66 2HD2 LEU 66 4.782 -2.707 -1.613 528 H TYR 67 H TYR 67 8.790 -3.862 -3.575 529 HA TYR 67 HA TYR 67 11.144 -3.155 -2.118 530 HB2 TYR 67 2HB TYR 67 9.960 -2.299 -4.731 531 HB3 TYR 67 1HB TYR 67 11.295 -1.390 -4.028 532 HD1 TYR 67 HD2 TYR 67 10.283 -4.768 -5.157 533 HD2 TYR 67 HD1 TYR 67 13.506 -2.160 -4.228 534 HE1 TYR 67 HE2 TYR 67 11.869 -6.422 -6.062 535 HE2 TYR 67 HE1 TYR 67 15.107 -3.800 -5.119 536 HH TYR 67 HH TYR 67 14.598 -6.851 -5.497 537 H LYS 68 H LYS 68 10.304 -2.392 -0.203 538 HA LYS 68 HA LYS 68 8.442 -0.425 0.251 539 HB2 LYS 68 2HB LYS 68 9.667 -1.895 1.925 540 HB3 LYS 68 1HB LYS 68 10.992 -0.747 1.833 541 HG2 LYS 68 2HG LYS 68 8.219 0.156 2.572 542 HG3 LYS 68 1HG LYS 68 9.304 -0.540 3.778 543 HD2 LYS 68 2HD LYS 68 10.103 1.774 2.031 544 HD3 LYS 68 1HD LYS 68 9.275 2.000 3.572 545 HE2 LYS 68 2HE LYS 68 11.114 0.759 4.692 546 HE3 LYS 68 1HE LYS 68 11.951 0.660 3.145 547 HZ1 LYS 68 3HZ LYS 68 11.122 3.312 4.022 548 HZ2 LYS 68 1HZ LYS 68 12.520 2.824 3.186 549 HZ3 LYS 68 2HZ LYS 68 12.400 2.587 4.862 550 H GLU 69 H GLU 69 11.895 -0.007 -0.458 551 HA GLU 69 HA GLU 69 12.021 2.750 -0.011 552 HB2 GLU 69 2HB GLU 69 13.659 0.914 -1.738 553 HB3 GLU 69 1HB GLU 69 14.011 2.633 -1.600 554 HG2 GLU 69 2HG GLU 69 13.899 0.700 0.701 555 HG3 GLU 69 1HG GLU 69 15.373 1.252 -0.091 556 H GLN 70 H GLN 70 10.802 0.963 -2.752 557 HA GLN 70 HA GLN 70 10.881 3.153 -4.598 558 HB2 GLN 70 2HB GLN 70 9.486 0.481 -4.599 559 HB3 GLN 70 1HB GLN 70 9.179 1.678 -5.854 560 HG2 GLN 70 2HG GLN 70 11.895 0.539 -5.192 561 HG3 GLN 70 1HG GLN 70 10.866 -0.004 -6.520 562 HE21 GLN 70 1HE2 GLN 70 10.470 1.425 -8.254 563 HE22 GLN 70 2HE2 GLN 70 11.578 2.703 -8.608 564 H GLU 71 H GLU 71 8.480 1.810 -2.392 565 HA GLU 71 HA GLU 71 6.441 3.654 -3.246 566 HB2 GLU 71 2HB GLU 71 6.574 1.782 -0.876 567 HB3 GLU 71 1HB GLU 71 5.173 2.759 -1.284 568 HG2 GLU 71 2HG GLU 71 6.367 0.519 -2.899 569 HG3 GLU 71 1HG GLU 71 4.804 0.544 -2.085 570 H GLU 72 H GLU 72 8.894 3.486 -0.792 571 HA GLU 72 HA GLU 72 7.981 5.503 0.934 572 HB2 GLU 72 2HB GLU 72 9.806 3.931 1.479 573 HB3 GLU 72 1HB GLU 72 10.834 4.721 0.294 574 HG2 GLU 72 2HG GLU 72 11.568 5.734 2.196 575 HG3 GLU 72 1HG GLU 72 10.286 6.854 1.733 576 H GLN 73 H GLN 73 10.067 5.634 -1.934 577 HA GLN 73 HA GLN 73 10.747 8.339 -1.760 578 HB2 GLN 73 2HB GLN 73 11.550 8.166 -3.978 579 HB3 GLN 73 1HB GLN 73 11.789 6.582 -3.260 580 HG2 GLN 73 2HG GLN 73 9.606 5.917 -4.341 581 HG3 GLN 73 1HG GLN 73 9.719 7.422 -5.256 582 HE21 GLN 73 1HE2 GLN 73 9.684 4.845 -6.374 583 HE22 GLN 73 2HE2 GLN 73 11.204 4.577 -7.158 584 H LEU 74 H LEU 74 7.860 6.798 -3.115 585 HA LEU 74 HA LEU 74 6.938 9.301 -4.216 586 HB2 LEU 74 2HB LEU 74 4.960 8.147 -4.905 587 HB3 LEU 74 1HB LEU 74 6.353 7.165 -5.295 588 HG LEU 74 HG LEU 74 5.675 6.090 -2.908 589 HD11 LEU 74 1HD1 LEU 74 3.715 7.526 -2.654 590 HD12 LEU 74 2HD1 LEU 74 3.255 5.832 -2.824 591 HD13 LEU 74 3HD1 LEU 74 3.082 6.936 -4.190 592 HD21 LEU 74 3HD2 LEU 74 4.580 5.403 -5.631 593 HD22 LEU 74 1HD2 LEU 74 4.558 4.326 -4.234 594 HD23 LEU 74 2HD2 LEU 74 6.096 4.841 -4.927 595 H THR 75 H THR 75 6.517 7.456 -1.296 596 HA THR 75 HA THR 75 4.267 8.842 -0.284 597 HB THR 75 HB THR 75 6.458 7.452 1.274 598 HG1 THR 75 HG1 THR 75 5.375 6.086 -0.270 599 HG21 THR 75 3HG2 THR 75 3.612 8.088 2.052 600 HG22 THR 75 1HG2 THR 75 5.045 8.932 2.648 601 HG23 THR 75 2HG2 THR 75 4.795 7.228 3.037 602 H GLU 76 H GLU 76 7.705 9.438 -0.289 603 HA GLU 76 HA GLU 76 7.990 11.347 1.679 604 HB2 GLU 76 2HB GLU 76 9.338 11.086 -1.005 605 HB3 GLU 76 1HB GLU 76 9.831 12.268 0.198 606 HG2 GLU 76 2HG GLU 76 9.686 9.345 0.828 607 HG3 GLU 76 1HG GLU 76 11.109 10.067 0.079 608 H LEU 77 H LEU 77 6.684 11.679 -1.565 609 HA LEU 77 HA LEU 77 6.632 14.474 -1.753 610 HB2 LEU 77 2HB LEU 77 5.050 12.262 -2.993 611 HB3 LEU 77 1HB LEU 77 4.511 13.914 -3.214 612 HG LEU 77 HG LEU 77 6.805 14.423 -4.152 613 HD11 LEU 77 1HD1 LEU 77 7.945 12.461 -3.196 614 HD12 LEU 77 2HD1 LEU 77 8.146 12.580 -4.945 615 HD13 LEU 77 3HD1 LEU 77 7.006 11.419 -4.266 616 HD21 LEU 77 3HD2 LEU 77 6.239 13.631 -6.331 617 HD22 LEU 77 1HD2 LEU 77 4.739 14.024 -5.492 618 HD23 LEU 77 2HD2 LEU 77 5.238 12.342 -5.661 619 H ILE 78 H ILE 78 4.190 12.205 -0.548 620 HA ILE 78 HA ILE 78 2.382 14.297 0.235 621 HB ILE 78 HB ILE 78 2.320 11.388 1.061 622 HG12 ILE 78 2HG1 ILE 78 0.402 11.908 -0.942 623 HG13 ILE 78 1HG1 ILE 78 1.914 12.601 -1.519 624 HG21 ILE 78 1HG2 ILE 78 -0.080 11.775 1.373 625 HG22 ILE 78 2HG2 ILE 78 0.139 13.472 0.947 626 HG23 ILE 78 3HG2 ILE 78 0.883 12.827 2.410 627 HD11 ILE 78 3HD1 ILE 78 1.543 9.761 -0.594 628 HD12 ILE 78 1HD1 ILE 78 3.022 10.465 -1.246 629 HD13 ILE 78 2HD1 ILE 78 1.598 10.299 -2.274 630 H ALA 79 H ALA 79 4.937 12.468 1.719 631 HA ALA 79 HA ALA 79 4.309 12.870 4.426 632 HB1 ALA 79 1HB ALA 79 7.053 12.592 3.210 633 HB2 ALA 79 2HB ALA 79 6.605 12.287 4.887 634 HB3 ALA 79 3HB ALA 79 5.978 11.249 3.605 635 H SER 80 H SER 80 5.472 15.067 2.055 636 HA SER 80 HA SER 80 6.788 16.895 3.784 637 HB2 SER 80 2HB SER 80 5.489 17.475 1.112 638 HB3 SER 80 1HB SER 80 6.761 18.411 1.899 639 HG SER 80 HG SER 80 7.226 16.637 0.177 640 H LYS 81 H LYS 81 3.495 16.230 3.095 641 HA LYS 81 HA LYS 81 2.648 18.277 4.973 642 HB2 LYS 81 2HB LYS 81 0.830 19.050 3.417 643 HB3 LYS 81 1HB LYS 81 2.454 19.539 2.952 644 HG2 LYS 81 2HG LYS 81 2.533 17.836 1.237 645 HG3 LYS 81 1HG LYS 81 0.984 17.176 1.770 646 HD2 LYS 81 2HD LYS 81 -0.075 19.353 1.196 647 HD3 LYS 81 1HD LYS 81 1.476 19.894 0.550 648 HE2 LYS 81 2HE LYS 81 1.443 18.125 -1.097 649 HE3 LYS 81 1HE LYS 81 -0.039 17.469 -0.405 650 HZ1 LYS 81 3HZ LYS 81 -0.466 18.796 -2.383 651 HZ2 LYS 81 1HZ LYS 81 0.227 20.151 -1.645 652 HZ3 LYS 81 2HZ LYS 81 -1.193 19.485 -1.020 653 H LYS 82 H LYS 82 2.715 15.788 5.622 654 HA LYS 82 HA LYS 82 0.334 14.331 4.897 655 HB2 LYS 82 2HB LYS 82 1.144 12.640 6.575 656 HB3 LYS 82 1HB LYS 82 2.250 12.965 5.253 657 HG2 LYS 82 2HG LYS 82 3.631 14.331 6.708 658 HG3 LYS 82 1HG LYS 82 2.484 14.115 8.030 659 HD2 LYS 82 2HD LYS 82 2.977 11.788 8.171 660 HD3 LYS 82 1HD LYS 82 3.897 11.828 6.666 661 HE2 LYS 82 2HE LYS 82 5.546 13.328 7.753 662 HE3 LYS 82 1HE LYS 82 4.639 13.192 9.260 663 HZ1 LYS 82 3HZ LYS 82 6.000 10.984 7.815 664 HZ2 LYS 82 1HZ LYS 82 5.057 10.789 9.206 665 HZ3 LYS 82 2HZ LYS 82 6.487 11.687 9.271 666 H ASP 83 H ASP 83 -0.805 16.397 5.683 667 HA ASP 83 HA ASP 83 -1.300 16.553 8.524 668 HB2 ASP 83 2HB ASP 83 -1.380 18.594 7.233 669 HB3 ASP 83 1HB ASP 83 -2.579 17.912 6.141 670 H LEU 84 H LEU 84 -2.696 15.009 5.763 671 HA LEU 84 HA LEU 84 -5.262 14.499 6.937 672 HB2 LEU 84 2HB LEU 84 -3.981 13.102 4.590 673 HB3 LEU 84 1HB LEU 84 -5.682 13.103 5.006 674 HG LEU 84 HG LEU 84 -5.657 14.597 3.274 675 HD11 LEU 84 1HD1 LEU 84 -5.081 16.365 5.644 676 HD12 LEU 84 2HD1 LEU 84 -6.651 15.695 5.204 677 HD13 LEU 84 3HD1 LEU 84 -5.867 16.866 4.145 678 HD21 LEU 84 3HD2 LEU 84 -3.216 14.557 2.962 679 HD22 LEU 84 1HD2 LEU 84 -3.049 15.754 4.245 680 HD23 LEU 84 2HD2 LEU 84 -3.902 16.169 2.758 681 H PHE 85 H PHE 85 -5.995 12.060 6.930 682 HA PHE 85 HA PHE 85 -4.286 10.749 8.861 683 HB2 PHE 85 2HB PHE 85 -6.959 9.861 7.761 684 HB3 PHE 85 1HB PHE 85 -6.141 9.207 9.177 685 HD1 PHE 85 HD1 PHE 85 -5.756 10.761 11.151 686 HD2 PHE 85 HD2 PHE 85 -8.407 11.671 7.947 687 HE1 PHE 85 HE1 PHE 85 -6.887 12.420 12.568 688 HE2 PHE 85 HE2 PHE 85 -9.547 13.335 9.363 689 HZ PHE 85 HZ PHE 85 -8.788 13.713 11.672 690 H VAL 86 H VAL 86 -2.635 10.515 7.117 691 HA VAL 86 HA VAL 86 -3.142 8.264 5.329 692 HB VAL 86 HB VAL 86 -2.108 10.120 4.222 693 HG11 VAL 86 1HG1 VAL 86 0.019 10.018 6.355 694 HG12 VAL 86 2HG1 VAL 86 -1.177 11.292 6.114 695 HG13 VAL 86 3HG1 VAL 86 0.079 11.023 4.906 696 HG21 VAL 86 3HG2 VAL 86 -1.311 7.984 3.454 697 HG22 VAL 86 1HG2 VAL 86 -0.096 7.930 4.731 698 HG23 VAL 86 2HG2 VAL 86 0.031 9.127 3.440 699 H HIS 87 H HIS 87 -2.457 6.267 5.781 700 HA HIS 87 HA HIS 87 -0.109 5.827 7.411 701 HB2 HIS 87 2HB HIS 87 -2.795 5.632 8.528 702 HB3 HIS 87 1HB HIS 87 -1.895 4.127 8.683 703 HD1 HIS 87 HD1 HIS 87 0.332 4.231 10.079 704 HD2 HIS 87 HD2 HIS 87 -1.994 7.671 10.206 705 HE1 HIS 87 HE1 HIS 87 1.257 5.599 11.972 706 H SER 88 H SER 88 0.932 4.436 6.130 707 HA SER 88 HA SER 88 -0.595 2.276 4.843 708 HB2 SER 88 2HB SER 88 2.220 3.143 4.164 709 HB3 SER 88 1HB SER 88 1.108 2.191 3.182 710 HG SER 88 HG SER 88 1.347 4.508 2.642 711 H ILE 89 H ILE 89 -0.141 0.185 5.320 712 HA ILE 89 HA ILE 89 2.275 -0.429 6.831 713 HB ILE 89 HB ILE 89 0.602 0.000 8.563 714 HG12 ILE 89 2HG1 ILE 89 1.195 -2.953 8.290 715 HG13 ILE 89 1HG1 ILE 89 2.323 -1.744 8.895 716 HG21 ILE 89 1HG2 ILE 89 -1.351 -1.522 8.791 717 HG22 ILE 89 2HG2 ILE 89 -1.004 -2.130 7.172 718 HG23 ILE 89 3HG2 ILE 89 -1.441 -0.438 7.402 719 HD11 ILE 89 3HD1 ILE 89 1.227 -3.036 10.677 720 HD12 ILE 89 1HD1 ILE 89 -0.327 -2.394 10.154 721 HD13 ILE 89 2HD1 ILE 89 0.908 -1.303 10.786 722 H ASP 90 H ASP 90 3.162 -2.284 6.228 723 HA ASP 90 HA ASP 90 1.579 -4.077 4.516 724 HB2 ASP 90 2HB ASP 90 3.509 -4.505 3.217 725 HB3 ASP 90 1HB ASP 90 3.535 -2.770 3.499 726 H SER 91 H SER 91 3.548 -6.201 4.540 727 HA SER 91 HA SER 91 3.521 -6.974 7.369 728 HB2 SER 91 2HB SER 91 1.548 -7.920 6.127 729 HB3 SER 91 1HB SER 91 2.687 -8.832 5.141 730 HG SER 91 HG SER 91 3.449 -9.793 7.096 731 H GLU 92 H GLU 92 5.738 -6.047 5.802 732 HA GLU 92 HA GLU 92 7.395 -8.061 4.807 733 HB2 GLU 92 2HB GLU 92 9.283 -6.496 5.464 734 HB3 GLU 92 1HB GLU 92 8.031 -5.786 4.451 735 HG2 GLU 92 2HG GLU 92 7.472 -4.286 6.004 736 HG3 GLU 92 1HG GLU 92 7.494 -5.486 7.295 737 H VAL 93 H VAL 93 9.203 -9.147 5.750 738 HA VAL 93 HA VAL 93 8.712 -9.869 8.536 739 HB VAL 93 HB VAL 93 8.787 -11.754 7.047 740 HG11 VAL 93 1HG1 VAL 93 10.022 -10.945 5.192 741 HG12 VAL 93 2HG1 VAL 93 10.901 -12.334 5.834 742 HG13 VAL 93 3HG1 VAL 93 11.463 -10.698 6.177 743 HG21 VAL 93 3HG2 VAL 93 9.723 -12.103 9.263 744 HG22 VAL 93 1HG2 VAL 93 11.318 -11.626 8.683 745 HG23 VAL 93 2HG2 VAL 93 10.561 -13.095 8.071 746 H ILE 94 H ILE 94 11.325 -8.690 6.444 747 HA ILE 94 HA ILE 94 12.711 -7.766 8.852 748 HB ILE 94 HB ILE 94 14.909 -8.305 7.809 749 HG12 ILE 94 2HG1 ILE 94 13.352 -10.132 5.976 750 HG13 ILE 94 1HG1 ILE 94 13.948 -8.553 5.473 751 HG21 ILE 94 1HG2 ILE 94 13.946 -9.703 9.566 752 HG22 ILE 94 2HG2 ILE 94 14.920 -10.647 8.440 753 HG23 ILE 94 3HG2 ILE 94 13.161 -10.700 8.342 754 HD11 ILE 94 3HD1 ILE 94 15.445 -10.307 4.750 755 HD12 ILE 94 1HD1 ILE 94 15.622 -10.875 6.412 756 HD13 ILE 94 2HD1 ILE 94 16.234 -9.286 5.951 757 H THR 95 H THR 95 13.688 -5.810 8.658 758 HA THR 95 HA THR 95 13.179 -4.344 6.174 759 HB THR 95 HB THR 95 13.980 -3.090 8.790 760 HG1 THR 95 HG1 THR 95 11.468 -4.160 8.015 761 HG21 THR 95 3HG2 THR 95 12.346 -2.118 6.446 762 HG22 THR 95 1HG2 THR 95 14.009 -1.666 6.814 763 HG23 THR 95 2HG2 THR 95 12.704 -1.188 7.901 764 H LYS 96 H LYS 96 14.836 -3.629 4.946 765 HA LYS 96 HA LYS 96 17.526 -3.463 6.103 766 HB2 LYS 96 2HB LYS 96 18.475 -4.583 4.110 767 HB3 LYS 96 1HB LYS 96 17.441 -5.652 5.046 768 HG2 LYS 96 2HG LYS 96 15.817 -5.732 3.423 769 HG3 LYS 96 1HG LYS 96 16.261 -4.164 2.750 770 HD2 LYS 96 2HD LYS 96 18.054 -6.570 2.564 771 HD3 LYS 96 1HD LYS 96 16.816 -6.225 1.355 772 HE2 LYS 96 2HE LYS 96 17.860 -3.984 1.032 773 HE3 LYS 96 1HE LYS 96 19.153 -4.482 2.120 774 HZ1 LYS 96 3HZ LYS 96 19.963 -4.880 -0.015 775 HZ2 LYS 96 1HZ LYS 96 18.505 -5.547 -0.557 776 HZ3 LYS 96 2HZ LYS 96 19.473 -6.405 0.526 777 H LYS 97 H LYS 97 19.043 -2.439 4.399 778 HA LYS 97 HA LYS 97 17.568 -0.294 3.018 779 HB2 LYS 97 2HB LYS 97 19.613 1.103 3.367 780 HB3 LYS 97 1HB LYS 97 18.773 0.677 4.852 781 HG2 LYS 97 2HG LYS 97 20.436 -0.842 5.495 782 HG3 LYS 97 1HG LYS 97 21.107 -0.929 3.866 783 HD2 LYS 97 2HD LYS 97 22.567 0.369 5.309 784 HD3 LYS 97 1HD LYS 97 21.864 1.399 4.062 785 HE2 LYS 97 2HE LYS 97 20.332 2.360 5.600 786 HE3 LYS 97 1HE LYS 97 20.710 1.155 6.829 787 HZ1 LYS 97 3HZ LYS 97 23.041 2.096 6.762 788 HZ2 LYS 97 1HZ LYS 97 21.854 3.082 7.455 789 HZ3 LYS 97 2HZ LYS 97 22.399 3.391 5.887 790 H GLU 98 H GLU 98 18.574 0.523 1.059 791 HA GLU 98 HA GLU 98 19.698 -1.643 -0.497 792 HB2 GLU 98 2HB GLU 98 18.490 1.005 -1.087 793 HB3 GLU 98 1HB GLU 98 19.629 0.362 -2.265 794 HG2 GLU 98 2HG GLU 98 17.426 -1.366 -1.258 795 HG3 GLU 98 1HG GLU 98 17.077 -0.130 -2.465 796 H ALA 99 H ALA 99 21.789 -1.927 0.205 797 HA ALA 99 HA ALA 99 23.613 0.358 0.070 798 HB1 ALA 99 1HB ALA 99 24.110 -2.471 1.004 799 HB2 ALA 99 2HB ALA 99 25.247 -1.128 1.121 800 HB3 ALA 99 3HB ALA 99 23.743 -1.095 2.044 801 H GLN 100 H GLN 100 23.020 0.252 -2.308 802 HA GLN 100 HA GLN 100 24.106 -1.835 -3.922 803 HB2 GLN 100 2HB GLN 100 22.195 -0.462 -4.638 804 HB3 GLN 100 1HB GLN 100 23.221 0.967 -4.641 805 HG2 GLN 100 2HG GLN 100 24.513 0.113 -6.478 806 HG3 GLN 100 1HG GLN 100 23.666 -1.435 -6.408 807 HE21 GLN 100 1HE2 GLN 100 23.176 -1.031 -8.654 808 HE22 GLN 100 2HE2 GLN 100 21.840 -0.015 -9.068 809 H GLN 101 H GLN 101 26.150 -2.119 -4.491 810 HA GLN 101 HA GLN 101 28.117 -0.084 -3.911 811 HB2 GLN 101 2HB GLN 101 28.625 -2.425 -3.428 812 HB3 GLN 101 1HB GLN 101 28.401 -2.844 -5.122 813 HG2 GLN 101 2HG GLN 101 30.772 -2.709 -4.585 814 HG3 GLN 101 1HG GLN 101 30.322 -1.440 -5.725 815 HE21 GLN 101 1HE2 GLN 101 32.018 -0.133 -5.200 816 HE22 GLN 101 2HE2 GLN 101 32.140 0.704 -3.687 817 H ILE 102 H ILE 102 27.488 1.534 -5.345 818 HA ILE 102 HA ILE 102 28.197 0.992 -8.142 819 HB ILE 102 HB ILE 102 25.873 1.370 -8.207 820 HG12 ILE 102 2HG1 ILE 102 27.069 4.095 -8.754 821 HG13 ILE 102 1HG1 ILE 102 27.249 2.716 -9.830 822 HG21 ILE 102 1HG2 ILE 102 26.350 3.616 -6.267 823 HG22 ILE 102 2HG2 ILE 102 25.395 2.154 -6.036 824 HG23 ILE 102 3HG2 ILE 102 24.837 3.405 -7.145 825 HD11 ILE 102 3HD1 ILE 102 24.625 3.957 -9.035 826 HD12 ILE 102 1HD1 ILE 102 24.857 2.636 -10.178 827 HD13 ILE 102 2HD1 ILE 102 25.477 4.243 -10.552 828 H ARG 103 H ARG 103 29.855 2.148 -8.881 829 HA ARG 103 HA ARG 103 30.503 4.684 -7.543 830 HB2 ARG 103 2HB ARG 103 32.332 2.394 -8.216 831 HB3 ARG 103 1HB ARG 103 32.949 4.035 -8.084 832 HG2 ARG 103 2HG ARG 103 31.425 2.641 -5.886 833 HG3 ARG 103 1HG ARG 103 33.188 2.671 -5.997 834 HD2 ARG 103 2HD ARG 103 32.804 4.457 -4.597 835 HD3 ARG 103 1HD ARG 103 32.830 5.258 -6.166 836 HE ARG 103 HE ARG 103 30.191 4.458 -5.455 837 HH11 ARG 103 1HH1 ARG 103 32.633 6.915 -4.911 838 HH12 ARG 103 2HH1 ARG 103 31.485 8.101 -4.365 839 HH21 ARG 103 1HH2 ARG 103 28.681 6.030 -4.777 840 HH22 ARG 103 2HH2 ARG 103 29.239 7.600 -4.293 841 H GLU 104 H GLU 104 30.334 6.286 -8.967 842 HA GLU 104 HA GLU 104 30.568 5.713 -11.807 843 HB2 GLU 104 2HB GLU 104 28.808 7.233 -10.588 844 HB3 GLU 104 1HB GLU 104 30.079 8.444 -10.686 845 HG2 GLU 104 2HG GLU 104 30.079 8.390 -13.043 846 HG3 GLU 104 1HG GLU 104 29.090 6.933 -13.082 847 H GLU 105 H GLU 105 32.505 6.674 -9.281 848 HA GLU 105 HA GLU 105 34.265 8.480 -10.605 849 HB2 GLU 105 2HB GLU 105 35.698 8.223 -8.673 850 HB3 GLU 105 1HB GLU 105 34.031 8.354 -8.130 851 HG2 GLU 105 2HG GLU 105 34.001 5.840 -7.979 852 HG3 GLU 105 1HG GLU 105 35.740 5.881 -8.262 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -34.568 -23.018 -9.183 2 HA2 GLY 1 1HA GLY 1 -32.933 -22.367 -7.500 3 HA3 GLY 1 2HA GLY 1 -32.211 -22.950 -8.992 4 H SER 2 H SER 2 -30.525 -21.840 -9.579 5 HA SER 2 HA SER 2 -29.137 -20.140 -10.119 6 HB2 SER 2 2HB SER 2 -31.442 -18.253 -9.588 7 HB3 SER 2 1HB SER 2 -29.997 -17.925 -10.550 8 HG SER 2 HG SER 2 -32.300 -19.270 -11.221 9 H HIS 3 H HIS 3 -27.815 -20.519 -8.369 10 HA HIS 3 HA HIS 3 -28.245 -18.824 -6.001 11 HB2 HIS 3 2HB HIS 3 -26.637 -21.358 -6.381 12 HB3 HIS 3 1HB HIS 3 -26.494 -20.346 -4.950 13 HD1 HIS 3 HD1 HIS 3 -28.229 -20.646 -3.151 14 HD2 HIS 3 HD2 HIS 3 -29.195 -22.632 -6.669 15 HE1 HIS 3 HE1 HIS 3 -30.214 -22.084 -2.592 16 H MET 4 H MET 4 -26.348 -17.756 -5.099 17 HA MET 4 HA MET 4 -24.527 -16.896 -7.233 18 HB2 MET 4 2HB MET 4 -25.748 -15.585 -4.903 19 HB3 MET 4 1HB MET 4 -24.042 -15.213 -5.126 20 HG2 MET 4 2HG MET 4 -24.559 -14.564 -7.466 21 HG3 MET 4 1HG MET 4 -26.270 -14.802 -7.112 22 HE1 MET 4 3HE MET 4 -26.379 -12.303 -8.143 23 HE2 MET 4 1HE MET 4 -24.641 -11.999 -8.126 24 HE3 MET 4 2HE MET 4 -25.740 -10.879 -7.323 25 H LYS 5 H LYS 5 -22.342 -16.059 -6.106 26 HA LYS 5 HA LYS 5 -21.114 -18.472 -5.103 27 HB2 LYS 5 2HB LYS 5 -20.141 -15.863 -6.155 28 HB3 LYS 5 1HB LYS 5 -19.072 -16.762 -5.087 29 HG2 LYS 5 2HG LYS 5 -20.338 -17.963 -7.532 30 HG3 LYS 5 1HG LYS 5 -18.760 -17.175 -7.543 31 HD2 LYS 5 2HD LYS 5 -17.869 -18.772 -6.013 32 HD3 LYS 5 1HD LYS 5 -19.463 -19.463 -5.717 33 HE2 LYS 5 2HE LYS 5 -18.178 -19.457 -8.431 34 HE3 LYS 5 1HE LYS 5 -17.924 -20.757 -7.269 35 HZ1 LYS 5 3HZ LYS 5 -20.337 -21.104 -7.233 36 HZ2 LYS 5 1HZ LYS 5 -19.689 -21.326 -8.780 37 HZ3 LYS 5 2HZ LYS 5 -20.529 -19.909 -8.415 38 H THR 6 H THR 6 -19.780 -18.548 -3.230 39 HA THR 6 HA THR 6 -21.002 -17.199 -0.984 40 HB THR 6 HB THR 6 -18.941 -18.851 -0.059 41 HG1 THR 6 HG1 THR 6 -19.274 -20.771 -1.256 42 HG21 THR 6 3HG2 THR 6 -21.877 -19.451 -0.448 43 HG22 THR 6 1HG2 THR 6 -21.165 -18.619 0.934 44 HG23 THR 6 2HG2 THR 6 -20.789 -20.318 0.635 45 H LYS 7 H LYS 7 -19.243 -16.888 0.879 46 HA LYS 7 HA LYS 7 -17.736 -14.593 0.180 47 HB2 LYS 7 2HB LYS 7 -17.040 -14.581 2.500 48 HB3 LYS 7 1HB LYS 7 -18.749 -14.991 2.412 49 HG2 LYS 7 2HG LYS 7 -18.237 -17.343 2.749 50 HG3 LYS 7 1HG LYS 7 -16.509 -16.986 2.745 51 HD2 LYS 7 2HD LYS 7 -16.791 -15.617 4.757 52 HD3 LYS 7 1HD LYS 7 -18.521 -15.969 4.754 53 HE2 LYS 7 2HE LYS 7 -18.102 -18.308 5.121 54 HE3 LYS 7 1HE LYS 7 -16.366 -18.070 4.933 55 HZ1 LYS 7 3HZ LYS 7 -16.918 -18.243 7.242 56 HZ2 LYS 7 1HZ LYS 7 -18.061 -17.003 7.120 57 HZ3 LYS 7 2HZ LYS 7 -16.418 -16.661 6.920 58 H LYS 8 H LYS 8 -15.352 -14.417 0.892 59 HA LYS 8 HA LYS 8 -13.846 -16.849 0.330 60 HB2 LYS 8 2HB LYS 8 -12.303 -15.545 -1.172 61 HB3 LYS 8 1HB LYS 8 -13.897 -15.869 -1.837 62 HG2 LYS 8 2HG LYS 8 -13.491 -13.280 -0.425 63 HG3 LYS 8 1HG LYS 8 -12.759 -13.476 -2.021 64 HD2 LYS 8 2HD LYS 8 -15.654 -14.122 -1.530 65 HD3 LYS 8 1HD LYS 8 -15.128 -12.475 -1.877 66 HE2 LYS 8 2HE LYS 8 -14.226 -13.160 -4.001 67 HE3 LYS 8 1HE LYS 8 -14.550 -14.853 -3.644 68 HZ1 LYS 8 3HZ LYS 8 -16.966 -14.103 -3.447 69 HZ2 LYS 8 1HZ LYS 8 -16.298 -14.214 -4.999 70 HZ3 LYS 8 2HZ LYS 8 -16.471 -12.704 -4.262 71 H GLN 9 H GLN 9 -11.525 -16.601 0.855 72 HA GLN 9 HA GLN 9 -11.294 -15.034 3.311 73 HB2 GLN 9 2HB GLN 9 -9.274 -17.036 2.349 74 HB3 GLN 9 1HB GLN 9 -9.619 -16.526 3.997 75 HG2 GLN 9 2HG GLN 9 -11.369 -18.232 2.242 76 HG3 GLN 9 1HG GLN 9 -10.420 -18.771 3.625 77 HE21 GLN 9 1HE2 GLN 9 -13.363 -18.785 3.028 78 HE22 GLN 9 2HE2 GLN 9 -14.086 -18.023 4.397 79 H GLN 10 H GLN 10 -9.586 -15.606 0.265 80 HA GLN 10 HA GLN 10 -7.857 -13.304 0.840 81 HB2 GLN 10 2HB GLN 10 -7.603 -15.600 -1.103 82 HB3 GLN 10 1HB GLN 10 -6.568 -14.179 -1.175 83 HG2 GLN 10 2HG GLN 10 -5.397 -14.765 0.662 84 HG3 GLN 10 1HG GLN 10 -6.787 -15.517 1.443 85 HE21 GLN 10 1HE2 GLN 10 -4.181 -15.942 -0.817 86 HE22 GLN 10 2HE2 GLN 10 -4.266 -17.675 -0.878 87 H TYR 11 H TYR 11 -8.205 -11.440 -0.162 88 HA TYR 11 HA TYR 11 -9.157 -11.268 -2.836 89 HB2 TYR 11 2HB TYR 11 -11.267 -10.063 -2.359 90 HB3 TYR 11 1HB TYR 11 -11.317 -11.730 -1.800 91 HD1 TYR 11 HD2 TYR 11 -11.222 -12.225 0.632 92 HD2 TYR 11 HD1 TYR 11 -11.442 -8.232 -0.829 93 HE1 TYR 11 HE2 TYR 11 -11.923 -11.454 2.857 94 HE2 TYR 11 HE1 TYR 11 -12.143 -7.450 1.396 95 HH TYR 11 HH TYR 11 -13.315 -8.507 3.431 96 H VAL 12 H VAL 12 -9.866 -8.803 -3.184 97 HA VAL 12 HA VAL 12 -8.095 -7.061 -1.628 98 HB VAL 12 HB VAL 12 -6.859 -7.805 -3.648 99 HG11 VAL 12 1HG1 VAL 12 -8.708 -8.160 -5.168 100 HG12 VAL 12 2HG1 VAL 12 -7.560 -7.016 -5.862 101 HG13 VAL 12 3HG1 VAL 12 -9.073 -6.434 -5.166 102 HG21 VAL 12 3HG2 VAL 12 -7.625 -4.888 -3.628 103 HG22 VAL 12 1HG2 VAL 12 -6.221 -5.568 -4.447 104 HG23 VAL 12 2HG2 VAL 12 -6.337 -5.645 -2.690 105 H THR 13 H THR 13 -8.729 -4.886 -1.565 106 HA THR 13 HA THR 13 -11.140 -4.097 -2.999 107 HB THR 13 HB THR 13 -12.014 -5.057 -0.919 108 HG1 THR 13 HG1 THR 13 -13.366 -3.466 -1.291 109 HG21 THR 13 3HG2 THR 13 -10.039 -4.751 0.497 110 HG22 THR 13 1HG2 THR 13 -11.483 -4.079 1.256 111 HG23 THR 13 2HG2 THR 13 -10.309 -3.008 0.498 112 H ILE 14 H ILE 14 -11.167 -1.938 -3.493 113 HA ILE 14 HA ILE 14 -9.202 -0.186 -2.197 114 HB ILE 14 HB ILE 14 -9.520 -0.242 -5.196 115 HG12 ILE 14 2HG1 ILE 14 -7.129 -1.347 -3.742 116 HG13 ILE 14 1HG1 ILE 14 -8.501 -2.376 -4.134 117 HG21 ILE 14 1HG2 ILE 14 -7.802 1.301 -5.272 118 HG22 ILE 14 2HG2 ILE 14 -7.190 0.853 -3.682 119 HG23 ILE 14 3HG2 ILE 14 -8.674 1.794 -3.822 120 HD11 ILE 14 3HD1 ILE 14 -6.816 -0.844 -6.100 121 HD12 ILE 14 1HD1 ILE 14 -8.193 -1.870 -6.502 122 HD13 ILE 14 2HD1 ILE 14 -6.743 -2.579 -5.791 123 H LYS 15 H LYS 15 -10.249 1.578 -1.508 124 HA LYS 15 HA LYS 15 -12.502 2.600 -3.113 125 HB2 LYS 15 2HB LYS 15 -13.132 1.637 -0.871 126 HB3 LYS 15 1HB LYS 15 -12.152 2.889 -0.119 127 HG2 LYS 15 2HG LYS 15 -13.627 4.536 -1.458 128 HG3 LYS 15 1HG LYS 15 -14.725 3.169 -1.634 129 HD2 LYS 15 2HD LYS 15 -15.534 4.165 0.279 130 HD3 LYS 15 1HD LYS 15 -14.435 2.958 0.951 131 HE2 LYS 15 2HE LYS 15 -13.424 4.625 2.060 132 HE3 LYS 15 1HE LYS 15 -12.866 5.239 0.504 133 HZ1 LYS 15 3HZ LYS 15 -14.685 6.697 0.357 134 HZ2 LYS 15 1HZ LYS 15 -14.144 6.830 1.956 135 HZ3 LYS 15 2HZ LYS 15 -15.523 5.922 1.609 136 H GLY 16 H GLY 16 -12.044 4.474 -4.048 137 HA2 GLY 16 2HA GLY 16 -10.326 6.385 -2.591 138 HA3 GLY 16 1HA GLY 16 -10.107 6.078 -4.306 139 H THR 17 H THR 17 -13.268 6.176 -2.864 140 HA THR 17 HA THR 17 -13.712 8.788 -4.127 141 HB THR 17 HB THR 17 -14.749 6.930 -5.428 142 HG1 THR 17 HG1 THR 17 -15.699 8.999 -5.502 143 HG21 THR 17 3HG2 THR 17 -16.522 6.609 -3.008 144 HG22 THR 17 1HG2 THR 17 -15.299 5.448 -3.535 145 HG23 THR 17 2HG2 THR 17 -16.699 5.779 -4.552 146 H LYS 18 H LYS 18 -15.197 10.172 -3.138 147 HA LYS 18 HA LYS 18 -16.150 11.265 -1.397 148 HB2 LYS 18 2HB LYS 18 -16.993 8.451 -0.697 149 HB3 LYS 18 1HB LYS 18 -17.571 9.874 0.152 150 HG2 LYS 18 2HG LYS 18 -18.558 10.721 -1.906 151 HG3 LYS 18 1HG LYS 18 -17.953 9.313 -2.780 152 HD2 LYS 18 2HD LYS 18 -19.815 9.128 -0.422 153 HD3 LYS 18 1HD LYS 18 -20.372 9.200 -2.094 154 HE2 LYS 18 2HE LYS 18 -19.146 7.166 -2.609 155 HE3 LYS 18 1HE LYS 18 -18.513 7.110 -0.966 156 HZ1 LYS 18 3HZ LYS 18 -21.372 6.894 -1.725 157 HZ2 LYS 18 1HZ LYS 18 -20.769 6.838 -0.148 158 HZ3 LYS 18 2HZ LYS 18 -20.384 5.612 -1.246 159 H ASN 19 H ASN 19 -13.363 10.194 -1.115 160 HA ASN 19 HA ASN 19 -12.863 11.045 1.517 161 HB2 ASN 19 2HB ASN 19 -13.889 8.706 1.871 162 HB3 ASN 19 1HB ASN 19 -12.395 8.079 1.185 163 HD21 ASN 19 1HD2 ASN 19 -13.328 10.546 3.586 164 HD22 ASN 19 2HD2 ASN 19 -12.192 10.023 4.790 165 H GLY 20 H GLY 20 -10.509 9.225 1.812 166 HA2 GLY 20 2HA GLY 20 -8.795 10.602 -0.119 167 HA3 GLY 20 1HA GLY 20 -8.269 9.836 1.376 168 H LEU 21 H LEU 21 -7.920 7.612 1.438 169 HA LEU 21 HA LEU 21 -8.340 6.020 -0.932 170 HB2 LEU 21 2HB LEU 21 -6.293 7.008 -1.612 171 HB3 LEU 21 1HB LEU 21 -5.592 6.824 -0.015 172 HG LEU 21 HG LEU 21 -5.786 4.307 -0.399 173 HD11 LEU 21 1HD1 LEU 21 -5.874 3.538 -2.670 174 HD12 LEU 21 2HD1 LEU 21 -5.998 5.193 -3.267 175 HD13 LEU 21 3HD1 LEU 21 -7.318 4.491 -2.330 176 HD21 LEU 21 3HD2 LEU 21 -3.678 4.238 -1.613 177 HD22 LEU 21 1HD2 LEU 21 -3.671 5.527 -0.410 178 HD23 LEU 21 2HD2 LEU 21 -3.901 5.914 -2.116 179 H THR 22 H THR 22 -9.268 4.313 -0.007 180 HA THR 22 HA THR 22 -7.946 3.123 2.346 181 HB THR 22 HB THR 22 -10.822 2.575 1.865 182 HG1 THR 22 HG1 THR 22 -9.774 5.102 2.497 183 HG21 THR 22 3HG2 THR 22 -10.896 2.647 4.309 184 HG22 THR 22 1HG2 THR 22 -9.210 3.137 4.321 185 HG23 THR 22 2HG2 THR 22 -9.649 1.544 3.728 186 H LEU 23 H LEU 23 -6.792 1.500 1.449 187 HA LEU 23 HA LEU 23 -8.278 -0.424 -0.192 188 HB2 LEU 23 2HB LEU 23 -6.470 -0.712 -1.703 189 HB3 LEU 23 1HB LEU 23 -6.795 1.005 -1.602 190 HG LEU 23 HG LEU 23 -4.531 -0.374 -0.142 191 HD11 LEU 23 1HD1 LEU 23 -4.387 -0.453 -2.656 192 HD12 LEU 23 2HD1 LEU 23 -3.063 0.379 -1.846 193 HD13 LEU 23 3HD1 LEU 23 -4.341 1.307 -2.633 194 HD21 LEU 23 3HD2 LEU 23 -5.180 1.693 0.919 195 HD22 LEU 23 1HD2 LEU 23 -5.179 2.527 -0.634 196 HD23 LEU 23 2HD2 LEU 23 -3.667 1.941 0.050 197 H HIS 24 H HIS 24 -7.623 -2.579 -0.053 198 HA HIS 24 HA HIS 24 -5.657 -3.282 1.986 199 HB2 HIS 24 2HB HIS 24 -7.840 -3.048 3.159 200 HB3 HIS 24 1HB HIS 24 -8.512 -4.274 2.095 201 HD1 HIS 24 HD1 HIS 24 -7.161 -3.944 5.359 202 HD2 HIS 24 HD2 HIS 24 -6.871 -6.823 2.380 203 HE1 HIS 24 HE1 HIS 24 -6.426 -6.051 6.524 204 H LEU 25 H LEU 25 -4.514 -5.005 1.392 205 HA LEU 25 HA LEU 25 -5.636 -6.831 -0.628 206 HB2 LEU 25 2HB LEU 25 -3.837 -5.547 -1.618 207 HB3 LEU 25 1HB LEU 25 -2.787 -5.895 -0.260 208 HG LEU 25 HG LEU 25 -2.734 -8.266 -0.898 209 HD11 LEU 25 1HD1 LEU 25 -4.915 -8.459 -1.945 210 HD12 LEU 25 2HD1 LEU 25 -3.650 -8.963 -3.067 211 HD13 LEU 25 3HD1 LEU 25 -4.406 -7.380 -3.244 212 HD21 LEU 25 3HD2 LEU 25 -1.063 -6.673 -1.772 213 HD22 LEU 25 1HD2 LEU 25 -2.065 -6.450 -3.205 214 HD23 LEU 25 2HD2 LEU 25 -1.355 -8.028 -2.863 215 H ASP 26 H ASP 26 -5.533 -8.997 -0.136 216 HA ASP 26 HA ASP 26 -4.067 -9.722 2.310 217 HB2 ASP 26 2HB ASP 26 -6.842 -9.558 2.118 218 HB3 ASP 26 1HB ASP 26 -6.502 -11.275 1.937 219 H ASP 27 H ASP 27 -2.473 -10.455 0.731 220 HA ASP 27 HA ASP 27 -2.745 -13.252 0.244 221 HB2 ASP 27 2HB ASP 27 -3.892 -12.049 -1.767 222 HB3 ASP 27 1HB ASP 27 -2.240 -11.689 -2.274 223 H ALA 28 H ALA 28 -0.752 -14.252 -0.204 224 HA ALA 28 HA ALA 28 1.558 -12.461 0.140 225 HB1 ALA 28 1HB ALA 28 1.245 -15.339 0.966 226 HB2 ALA 28 2HB ALA 28 2.715 -14.383 1.151 227 HB3 ALA 28 3HB ALA 28 1.253 -13.932 2.031 228 H CYS 29 H CYS 29 3.549 -13.082 -0.863 229 HA CYS 29 HA CYS 29 4.774 -13.423 -2.756 230 HB2 CYS 29 2HB CYS 29 3.227 -16.024 -2.727 231 HB3 CYS 29 1HB CYS 29 4.689 -15.726 -3.658 232 HG CYS 29 HG CYS 29 6.431 -15.993 -1.726 233 H SER 30 H SER 30 2.328 -11.955 -3.200 234 HA SER 30 HA SER 30 1.813 -12.702 -6.000 235 HB2 SER 30 2HB SER 30 -0.429 -11.313 -5.281 236 HB3 SER 30 1HB SER 30 -0.292 -13.073 -5.227 237 HG SER 30 HG SER 30 -0.777 -12.758 -3.204 238 H PHE 31 H PHE 31 1.954 -11.141 -7.507 239 HA PHE 31 HA PHE 31 2.790 -8.473 -6.640 240 HB2 PHE 31 2HB PHE 31 3.096 -10.061 -9.145 241 HB3 PHE 31 1HB PHE 31 3.020 -8.307 -9.296 242 HD1 PHE 31 HD1 PHE 31 4.773 -10.913 -7.278 243 HD2 PHE 31 HD2 PHE 31 4.981 -7.133 -9.217 244 HE1 PHE 31 HE1 PHE 31 7.166 -10.759 -6.717 245 HE2 PHE 31 HE2 PHE 31 7.368 -6.970 -8.663 246 HZ PHE 31 HZ PHE 31 8.467 -8.786 -7.409 247 H ASP 32 H ASP 32 0.914 -7.432 -6.071 248 HA ASP 32 HA ASP 32 -1.310 -7.535 -7.921 249 HB2 ASP 32 2HB ASP 32 -1.487 -7.544 -5.304 250 HB3 ASP 32 1HB ASP 32 -1.386 -5.800 -5.524 251 H GLU 33 H GLU 33 -0.288 -6.544 -9.597 252 HA GLU 33 HA GLU 33 0.735 -3.898 -9.519 253 HB2 GLU 33 2HB GLU 33 0.709 -4.033 -11.962 254 HB3 GLU 33 1HB GLU 33 1.338 -5.527 -11.271 255 HG2 GLU 33 2HG GLU 33 -0.552 -6.737 -11.828 256 HG3 GLU 33 1HG GLU 33 -1.556 -5.295 -11.968 257 H LEU 34 H LEU 34 -2.428 -5.164 -9.534 258 HA LEU 34 HA LEU 34 -3.675 -2.857 -10.739 259 HB2 LEU 34 2HB LEU 34 -4.840 -5.196 -9.222 260 HB3 LEU 34 1HB LEU 34 -5.793 -3.934 -9.978 261 HG LEU 34 HG LEU 34 -3.921 -5.738 -11.502 262 HD11 LEU 34 1HD1 LEU 34 -5.683 -7.068 -10.460 263 HD12 LEU 34 2HD1 LEU 34 -5.909 -6.967 -12.205 264 HD13 LEU 34 3HD1 LEU 34 -6.903 -5.984 -11.128 265 HD21 LEU 34 3HD2 LEU 34 -5.245 -4.967 -13.433 266 HD22 LEU 34 1HD2 LEU 34 -4.389 -3.650 -12.630 267 HD23 LEU 34 2HD2 LEU 34 -6.119 -3.868 -12.369 268 H LEU 35 H LEU 35 -2.813 -3.987 -7.572 269 HA LEU 35 HA LEU 35 -4.477 -2.172 -6.116 270 HB2 LEU 35 2HB LEU 35 -3.646 -4.280 -5.149 271 HB3 LEU 35 1HB LEU 35 -2.007 -3.663 -5.231 272 HG LEU 35 HG LEU 35 -3.081 -1.702 -3.782 273 HD11 LEU 35 1HD1 LEU 35 -4.678 -2.627 -2.168 274 HD12 LEU 35 2HD1 LEU 35 -4.745 -4.119 -3.106 275 HD13 LEU 35 3HD1 LEU 35 -5.326 -2.608 -3.806 276 HD21 LEU 35 3HD2 LEU 35 -1.155 -3.033 -3.148 277 HD22 LEU 35 1HD2 LEU 35 -2.206 -4.379 -2.715 278 HD23 LEU 35 2HD2 LEU 35 -2.272 -2.880 -1.791 279 H ASP 36 H ASP 36 -1.014 -2.287 -6.885 280 HA ASP 36 HA ASP 36 -0.421 0.209 -5.673 281 HB2 ASP 36 2HB ASP 36 1.739 -0.208 -6.249 282 HB3 ASP 36 1HB ASP 36 1.117 -1.823 -6.578 283 H GLY 37 H GLY 37 -1.415 -0.755 -8.884 284 HA2 GLY 37 2HA GLY 37 -0.925 1.634 -10.260 285 HA3 GLY 37 1HA GLY 37 -2.153 0.450 -10.687 286 H LEU 38 H LEU 38 -3.899 0.517 -8.658 287 HA LEU 38 HA LEU 38 -5.280 2.956 -9.124 288 HB2 LEU 38 2HB LEU 38 -5.813 0.463 -7.630 289 HB3 LEU 38 1HB LEU 38 -6.638 1.894 -7.047 290 HG LEU 38 HG LEU 38 -7.499 2.243 -9.395 291 HD11 LEU 38 1HD1 LEU 38 -6.469 -0.565 -9.764 292 HD12 LEU 38 2HD1 LEU 38 -5.863 0.879 -10.576 293 HD13 LEU 38 3HD1 LEU 38 -7.506 0.313 -10.888 294 HD21 LEU 38 3HD2 LEU 38 -9.263 0.576 -9.170 295 HD22 LEU 38 1HD2 LEU 38 -8.882 1.314 -7.613 296 HD23 LEU 38 2HD2 LEU 38 -8.289 -0.303 -7.991 297 H GLN 39 H GLN 39 -3.311 1.719 -6.478 298 HA GLN 39 HA GLN 39 -3.907 3.545 -4.483 299 HB2 GLN 39 2HB GLN 39 -2.423 1.616 -4.148 300 HB3 GLN 39 1HB GLN 39 -1.210 2.351 -5.182 301 HG2 GLN 39 2HG GLN 39 -2.065 3.979 -2.886 302 HG3 GLN 39 1HG GLN 39 -1.215 2.489 -2.490 303 HE21 GLN 39 1HE2 GLN 39 0.948 2.267 -3.027 304 HE22 GLN 39 2HE2 GLN 39 1.906 3.612 -3.542 305 H ASN 40 H ASN 40 -1.269 3.796 -6.867 306 HA ASN 40 HA ASN 40 -0.582 6.453 -6.221 307 HB2 ASN 40 2HB ASN 40 0.885 4.810 -7.406 308 HB3 ASN 40 1HB ASN 40 -0.124 5.006 -8.836 309 HD21 ASN 40 1HD2 ASN 40 2.002 6.670 -6.614 310 HD22 ASN 40 2HD2 ASN 40 2.502 7.906 -7.718 311 H MET 41 H MET 41 -2.875 5.070 -8.468 312 HA MET 41 HA MET 41 -3.348 7.364 -10.036 313 HB2 MET 41 2HB MET 41 -4.013 5.028 -10.623 314 HB3 MET 41 1HB MET 41 -5.288 5.135 -9.421 315 HG2 MET 41 2HG MET 41 -6.232 7.059 -10.673 316 HG3 MET 41 1HG MET 41 -5.016 6.785 -11.920 317 HE1 MET 41 3HE MET 41 -4.943 3.471 -11.803 318 HE2 MET 41 1HE MET 41 -4.787 4.489 -13.236 319 HE3 MET 41 2HE MET 41 -5.987 3.196 -13.197 320 H LEU 42 H LEU 42 -5.278 6.015 -7.355 321 HA LEU 42 HA LEU 42 -7.148 8.116 -7.296 322 HB2 LEU 42 2HB LEU 42 -6.384 6.227 -5.078 323 HB3 LEU 42 1HB LEU 42 -7.854 7.179 -5.159 324 HG LEU 42 HG LEU 42 -7.158 5.123 -7.244 325 HD11 LEU 42 1HD1 LEU 42 -7.242 4.005 -5.084 326 HD12 LEU 42 2HD1 LEU 42 -8.648 3.586 -6.064 327 HD13 LEU 42 3HD1 LEU 42 -8.804 4.749 -4.751 328 HD21 LEU 42 3HD2 LEU 42 -8.822 6.758 -7.909 329 HD22 LEU 42 1HD2 LEU 42 -9.741 6.450 -6.437 330 HD23 LEU 42 2HD2 LEU 42 -9.583 5.188 -7.657 331 H SER 43 H SER 43 -4.208 7.586 -5.374 332 HA SER 43 HA SER 43 -4.562 9.721 -3.597 333 HB2 SER 43 2HB SER 43 -1.922 8.638 -4.600 334 HB3 SER 43 1HB SER 43 -2.216 9.474 -3.076 335 HG SER 43 HG SER 43 -2.794 6.848 -3.818 336 H ILE 44 H ILE 44 -3.396 9.639 -6.878 337 HA ILE 44 HA ILE 44 -2.424 12.374 -6.740 338 HB ILE 44 HB ILE 44 -2.356 10.278 -8.871 339 HG12 ILE 44 2HG1 ILE 44 -0.724 10.194 -7.057 340 HG13 ILE 44 1HG1 ILE 44 0.049 10.592 -8.578 341 HG21 ILE 44 1HG2 ILE 44 -1.194 11.879 -10.326 342 HG22 ILE 44 2HG2 ILE 44 -1.525 13.167 -9.167 343 HG23 ILE 44 3HG2 ILE 44 -2.857 12.381 -10.014 344 HD11 ILE 44 3HD1 ILE 44 1.078 12.075 -7.197 345 HD12 ILE 44 1HD1 ILE 44 -0.334 12.253 -6.160 346 HD13 ILE 44 2HD1 ILE 44 -0.289 13.053 -7.732 347 H GLU 45 H GLU 45 -5.080 10.519 -8.028 348 HA GLU 45 HA GLU 45 -6.168 12.488 -9.722 349 HB2 GLU 45 2HB GLU 45 -6.640 9.917 -9.504 350 HB3 GLU 45 1HB GLU 45 -7.890 10.446 -8.386 351 HG2 GLU 45 2HG GLU 45 -9.035 11.629 -10.053 352 HG3 GLU 45 1HG GLU 45 -7.663 11.564 -11.158 353 H GLN 46 H GLN 46 -7.306 11.434 -6.480 354 HA GLN 46 HA GLN 46 -7.836 14.108 -5.680 355 HB2 GLN 46 2HB GLN 46 -9.731 14.156 -7.046 356 HB3 GLN 46 1HB GLN 46 -10.118 12.469 -6.738 357 HG2 GLN 46 2HG GLN 46 -10.229 13.775 -4.243 358 HG3 GLN 46 1HG GLN 46 -11.083 14.804 -5.390 359 HE21 GLN 46 1HE2 GLN 46 -10.869 11.523 -4.142 360 HE22 GLN 46 2HE2 GLN 46 -12.521 11.108 -4.452 361 H TYR 47 H TYR 47 -7.541 14.099 -3.563 362 HA TYR 47 HA TYR 47 -8.597 11.858 -1.987 363 HB2 TYR 47 2HB TYR 47 -6.615 12.033 -0.497 364 HB3 TYR 47 1HB TYR 47 -6.195 11.522 -2.126 365 HD1 TYR 47 HD1 TYR 47 -5.305 13.344 -3.729 366 HD2 TYR 47 HD2 TYR 47 -5.518 13.824 0.492 367 HE1 TYR 47 HE1 TYR 47 -3.626 15.133 -3.854 368 HE2 TYR 47 HE2 TYR 47 -3.839 15.615 0.375 369 HH TYR 47 HH TYR 47 -2.207 16.515 -0.982 370 H THR 48 H THR 48 -9.486 14.566 -2.712 371 HA THR 48 HA THR 48 -9.377 16.081 -0.246 372 HB THR 48 HB THR 48 -11.070 16.887 -2.567 373 HG1 THR 48 HG1 THR 48 -8.218 17.051 -2.497 374 HG21 THR 48 3HG2 THR 48 -9.208 18.390 -0.721 375 HG22 THR 48 1HG2 THR 48 -10.962 18.303 -0.568 376 HG23 THR 48 2HG2 THR 48 -10.238 19.113 -1.956 377 H ASP 49 H ASP 49 -10.574 14.876 1.201 378 HA ASP 49 HA ASP 49 -13.233 13.975 0.619 379 HB2 ASP 49 2HB ASP 49 -11.822 12.778 2.221 380 HB3 ASP 49 1HB ASP 49 -11.747 14.203 3.244 381 H GLY 50 H GLY 50 -11.904 16.439 2.820 382 HA2 GLY 50 2HA GLY 50 -12.826 18.653 2.914 383 HA3 GLY 50 1HA GLY 50 -14.380 17.981 2.441 384 H LYS 51 H LYS 51 -14.026 15.718 4.370 385 HA LYS 51 HA LYS 51 -14.613 17.231 6.827 386 HB2 LYS 51 2HB LYS 51 -15.758 14.543 6.087 387 HB3 LYS 51 1HB LYS 51 -16.213 15.542 7.458 388 HG2 LYS 51 2HG LYS 51 -17.944 15.984 6.043 389 HG3 LYS 51 1HG LYS 51 -16.834 17.269 5.572 390 HD2 LYS 51 2HD LYS 51 -16.109 16.037 3.656 391 HD3 LYS 51 1HD LYS 51 -16.975 14.596 4.185 392 HE2 LYS 51 2HE LYS 51 -19.090 15.641 3.788 393 HE3 LYS 51 1HE LYS 51 -18.320 17.198 3.490 394 HZ1 LYS 51 3HZ LYS 51 -19.056 15.663 1.528 395 HZ2 LYS 51 1HZ LYS 51 -17.566 14.920 1.810 396 HZ3 LYS 51 2HZ LYS 51 -17.630 16.566 1.425 397 H GLY 52 H GLY 52 -12.841 14.702 5.380 398 HA2 GLY 52 2HA GLY 52 -10.802 14.492 7.135 399 HA3 GLY 52 1HA GLY 52 -12.034 13.491 7.886 400 H GLN 53 H GLN 53 -9.970 13.888 5.088 401 HA GLN 53 HA GLN 53 -10.747 11.450 3.829 402 HB2 GLN 53 2HB GLN 53 -8.517 11.818 2.571 403 HB3 GLN 53 1HB GLN 53 -9.817 12.975 2.333 404 HG2 GLN 53 2HG GLN 53 -7.863 13.541 4.477 405 HG3 GLN 53 1HG GLN 53 -7.317 13.692 2.810 406 HE21 GLN 53 1HE2 GLN 53 -8.090 15.312 1.541 407 HE22 GLN 53 2HE2 GLN 53 -9.028 16.633 2.160 408 H LYS 54 H LYS 54 -9.949 9.449 4.016 409 HA LYS 54 HA LYS 54 -7.829 9.012 5.995 410 HB2 LYS 54 2HB LYS 54 -10.163 8.111 6.446 411 HB3 LYS 54 1HB LYS 54 -9.901 7.015 5.097 412 HG2 LYS 54 2HG LYS 54 -7.861 6.184 6.306 413 HG3 LYS 54 1HG LYS 54 -8.396 7.137 7.690 414 HD2 LYS 54 2HD LYS 54 -10.047 5.003 6.353 415 HD3 LYS 54 1HD LYS 54 -9.070 4.749 7.799 416 HE2 LYS 54 2HE LYS 54 -11.437 6.583 7.485 417 HE3 LYS 54 1HE LYS 54 -11.332 5.131 8.477 418 HZ1 LYS 54 3HZ LYS 54 -11.065 6.951 9.920 419 HZ2 LYS 54 1HZ LYS 54 -9.953 7.715 8.902 420 HZ3 LYS 54 2HZ LYS 54 -9.520 6.300 9.722 421 H ILE 55 H ILE 55 -5.949 8.602 5.026 422 HA ILE 55 HA ILE 55 -5.967 7.041 2.526 423 HB ILE 55 HB ILE 55 -3.686 8.772 3.497 424 HG12 ILE 55 2HG1 ILE 55 -5.815 9.564 1.493 425 HG13 ILE 55 1HG1 ILE 55 -5.788 10.114 3.165 426 HG21 ILE 55 1HG2 ILE 55 -3.481 6.893 1.709 427 HG22 ILE 55 2HG2 ILE 55 -2.727 8.459 1.420 428 HG23 ILE 55 3HG2 ILE 55 -4.264 8.066 0.650 429 HD11 ILE 55 3HD1 ILE 55 -4.883 11.796 1.678 430 HD12 ILE 55 1HD1 ILE 55 -3.675 10.652 1.090 431 HD13 ILE 55 2HD1 ILE 55 -3.635 11.193 2.768 432 H SER 56 H SER 56 -6.185 5.158 3.949 433 HA SER 56 HA SER 56 -3.702 4.496 5.369 434 HB2 SER 56 2HB SER 56 -6.438 3.255 5.719 435 HB3 SER 56 1HB SER 56 -5.006 2.930 6.700 436 HG SER 56 HG SER 56 -5.492 5.578 6.579 437 H VAL 57 H VAL 57 -2.408 3.462 4.039 438 HA VAL 57 HA VAL 57 -3.428 1.545 2.100 439 HB VAL 57 HB VAL 57 -0.545 2.261 2.671 440 HG11 VAL 57 1HG1 VAL 57 -1.887 0.997 0.284 441 HG12 VAL 57 2HG1 VAL 57 -0.776 0.221 1.412 442 HG13 VAL 57 3HG1 VAL 57 -0.199 1.499 0.342 443 HG21 VAL 57 3HG2 VAL 57 -2.371 3.496 0.610 444 HG22 VAL 57 1HG2 VAL 57 -0.669 3.868 0.864 445 HG23 VAL 57 2HG2 VAL 57 -1.854 4.272 2.107 446 H HIS 58 H HIS 58 -4.142 -0.205 3.280 447 HA HIS 58 HA HIS 58 -2.255 -1.415 5.172 448 HB2 HIS 58 2HB HIS 58 -5.212 -1.874 4.722 449 HB3 HIS 58 1HB HIS 58 -4.235 -2.872 5.793 450 HD1 HIS 58 HD1 HIS 58 -6.530 -1.422 7.067 451 HD2 HIS 58 HD2 HIS 58 -2.762 0.284 6.671 452 HE1 HIS 58 HE1 HIS 58 -6.413 0.374 8.817 453 H VAL 59 H VAL 59 -0.821 -2.337 3.731 454 HA VAL 59 HA VAL 59 -1.848 -4.292 1.822 455 HB VAL 59 HB VAL 59 0.796 -4.420 1.392 456 HG11 VAL 59 1HG1 VAL 59 0.453 -2.800 -0.414 457 HG12 VAL 59 2HG1 VAL 59 -1.046 -2.274 0.350 458 HG13 VAL 59 3HG1 VAL 59 -0.901 -3.918 -0.271 459 HG21 VAL 59 3HG2 VAL 59 1.158 -2.713 3.245 460 HG22 VAL 59 1HG2 VAL 59 0.436 -1.529 2.153 461 HG23 VAL 59 2HG2 VAL 59 1.919 -2.364 1.692 462 H LYS 60 H LYS 60 -2.467 -5.928 3.245 463 HA LYS 60 HA LYS 60 -0.476 -7.079 5.019 464 HB2 LYS 60 2HB LYS 60 -3.295 -8.019 4.445 465 HB3 LYS 60 1HB LYS 60 -2.263 -8.553 5.764 466 HG2 LYS 60 2HG LYS 60 -3.292 -5.746 5.402 467 HG3 LYS 60 1HG LYS 60 -4.000 -6.959 6.468 468 HD2 LYS 60 2HD LYS 60 -1.135 -6.063 6.685 469 HD3 LYS 60 1HD LYS 60 -2.450 -5.277 7.553 470 HE2 LYS 60 2HE LYS 60 -1.949 -6.769 9.163 471 HE3 LYS 60 1HE LYS 60 -2.925 -7.860 8.185 472 HZ1 LYS 60 3HZ LYS 60 -0.729 -8.749 8.879 473 HZ2 LYS 60 1HZ LYS 60 0.012 -7.594 7.894 474 HZ3 LYS 60 2HZ LYS 60 -0.987 -8.778 7.213 475 H LEU 61 H LEU 61 0.872 -7.464 3.054 476 HA LEU 61 HA LEU 61 0.085 -9.620 1.314 477 HB2 LEU 61 2HB LEU 61 2.785 -8.309 1.676 478 HB3 LEU 61 1HB LEU 61 2.344 -9.405 0.379 479 HG LEU 61 HG LEU 61 0.512 -7.172 0.510 480 HD11 LEU 61 1HD1 LEU 61 2.083 -5.440 -0.184 481 HD12 LEU 61 2HD1 LEU 61 3.430 -6.537 0.115 482 HD13 LEU 61 3HD1 LEU 61 2.422 -5.992 1.456 483 HD21 LEU 61 3HD2 LEU 61 1.223 -6.969 -1.852 484 HD22 LEU 61 1HD2 LEU 61 0.701 -8.594 -1.412 485 HD23 LEU 61 2HD2 LEU 61 2.419 -8.230 -1.564 486 H GLY 62 H GLY 62 3.102 -9.372 3.159 487 HA2 GLY 62 2HA GLY 62 3.209 -11.029 5.088 488 HA3 GLY 62 1HA GLY 62 2.780 -12.203 3.854 489 H ASN 63 H ASN 63 4.482 -13.360 3.238 490 HA ASN 63 HA ASN 63 7.161 -12.303 3.629 491 HB2 ASN 63 2HB ASN 63 7.913 -14.566 3.213 492 HB3 ASN 63 1HB ASN 63 6.563 -14.601 4.341 493 HD21 ASN 63 1HD2 ASN 63 7.798 -15.887 1.499 494 HD22 ASN 63 2HD2 ASN 63 6.358 -16.658 0.934 495 H ARG 64 H ARG 64 5.289 -11.413 1.429 496 HA ARG 64 HA ARG 64 6.523 -12.304 -1.006 497 HB2 ARG 64 2HB ARG 64 4.159 -11.539 -0.909 498 HB3 ARG 64 1HB ARG 64 4.726 -9.917 -0.541 499 HG2 ARG 64 2HG ARG 64 6.121 -10.528 -2.822 500 HG3 ARG 64 1HG ARG 64 4.562 -11.312 -3.095 501 HD2 ARG 64 2HD ARG 64 3.484 -9.357 -3.310 502 HD3 ARG 64 1HD ARG 64 4.384 -8.601 -1.993 503 HE ARG 64 HE ARG 64 6.235 -8.718 -3.925 504 HH11 ARG 64 1HH1 ARG 64 2.893 -7.673 -4.032 505 HH12 ARG 64 2HH1 ARG 64 3.184 -6.428 -5.205 506 HH21 ARG 64 1HH2 ARG 64 6.626 -7.113 -5.480 507 HH22 ARG 64 2HH2 ARG 64 5.319 -6.117 -6.043 508 H PHE 65 H PHE 65 6.975 -9.769 1.290 509 HA PHE 65 HA PHE 65 8.448 -8.068 1.511 510 HB2 PHE 65 2HB PHE 65 10.001 -10.083 1.087 511 HB3 PHE 65 1HB PHE 65 10.200 -9.425 -0.532 512 HD1 PHE 65 HD1 PHE 65 10.544 -8.540 3.058 513 HD2 PHE 65 HD2 PHE 65 11.787 -7.769 -0.939 514 HE1 PHE 65 HE1 PHE 65 12.297 -7.030 3.896 515 HE2 PHE 65 HE2 PHE 65 13.540 -6.258 -0.106 516 HZ PHE 65 HZ PHE 65 13.796 -5.887 2.318 517 H LEU 66 H LEU 66 6.880 -6.718 0.484 518 HA LEU 66 HA LEU 66 7.097 -6.130 -2.320 519 HB2 LEU 66 2HB LEU 66 4.931 -5.951 -1.307 520 HB3 LEU 66 1HB LEU 66 5.537 -4.874 -0.066 521 HG LEU 66 HG LEU 66 5.990 -3.185 -1.889 522 HD11 LEU 66 1HD1 LEU 66 4.371 -5.146 -3.518 523 HD12 LEU 66 2HD1 LEU 66 6.028 -4.613 -3.820 524 HD13 LEU 66 3HD1 LEU 66 4.695 -3.470 -3.977 525 HD21 LEU 66 3HD2 LEU 66 3.642 -2.500 -2.052 526 HD22 LEU 66 1HD2 LEU 66 4.079 -3.000 -0.420 527 HD23 LEU 66 2HD2 LEU 66 3.147 -4.083 -1.454 528 H TYR 67 H TYR 67 7.791 -4.163 -3.210 529 HA TYR 67 HA TYR 67 10.042 -3.038 -1.827 530 HB2 TYR 67 2HB TYR 67 8.920 -2.650 -4.589 531 HB3 TYR 67 1HB TYR 67 10.269 -1.696 -3.979 532 HD1 TYR 67 HD2 TYR 67 9.181 -5.207 -4.545 533 HD2 TYR 67 HD1 TYR 67 12.449 -2.519 -4.154 534 HE1 TYR 67 HE2 TYR 67 10.729 -7.005 -5.200 535 HE2 TYR 67 HE1 TYR 67 14.010 -4.307 -4.795 536 HH TYR 67 HH TYR 67 13.039 -7.170 -6.222 537 H LYS 68 H LYS 68 8.726 -2.150 -0.094 538 HA LYS 68 HA LYS 68 6.789 -0.176 -0.415 539 HB2 LYS 68 2HB LYS 68 7.306 0.502 1.882 540 HB3 LYS 68 1HB LYS 68 7.192 -1.249 1.736 541 HG2 LYS 68 2HG LYS 68 9.187 -1.395 2.730 542 HG3 LYS 68 1HG LYS 68 9.901 -0.581 1.331 543 HD2 LYS 68 2HD LYS 68 9.258 1.602 2.412 544 HD3 LYS 68 1HD LYS 68 8.832 0.677 3.854 545 HE2 LYS 68 2HE LYS 68 11.108 -0.134 4.043 546 HE3 LYS 68 1HE LYS 68 11.554 0.673 2.543 547 HZ1 LYS 68 3HZ LYS 68 10.929 2.808 3.655 548 HZ2 LYS 68 1HZ LYS 68 12.279 2.028 4.328 549 HZ3 LYS 68 2HZ LYS 68 10.783 1.947 5.109 550 H GLU 69 H GLU 69 10.209 -0.004 -0.786 551 HA GLU 69 HA GLU 69 10.574 2.748 -0.351 552 HB2 GLU 69 2HB GLU 69 12.117 0.883 -2.162 553 HB3 GLU 69 1HB GLU 69 12.665 2.470 -1.644 554 HG2 GLU 69 2HG GLU 69 12.610 1.668 0.698 555 HG3 GLU 69 1HG GLU 69 12.196 0.064 0.103 556 H GLN 70 H GLN 70 9.357 0.901 -3.013 557 HA GLN 70 HA GLN 70 9.596 2.864 -5.043 558 HB2 GLN 70 2HB GLN 70 8.000 0.351 -4.677 559 HB3 GLN 70 1HB GLN 70 7.626 1.429 -6.022 560 HG2 GLN 70 2HG GLN 70 10.360 0.265 -5.496 561 HG3 GLN 70 1HG GLN 70 9.179 -0.441 -6.603 562 HE21 GLN 70 1HE2 GLN 70 8.650 0.681 -8.508 563 HE22 GLN 70 2HE2 GLN 70 9.688 1.904 -9.151 564 H GLU 71 H GLU 71 7.113 2.076 -2.685 565 HA GLU 71 HA GLU 71 5.297 4.073 -3.711 566 HB2 GLU 71 2HB GLU 71 5.171 2.397 -1.196 567 HB3 GLU 71 1HB GLU 71 3.888 3.447 -1.783 568 HG2 GLU 71 2HG GLU 71 3.616 2.098 -3.756 569 HG3 GLU 71 1HG GLU 71 4.985 1.089 -3.294 570 H GLU 72 H GLU 72 7.521 3.669 -1.030 571 HA GLU 72 HA GLU 72 6.834 5.920 0.467 572 HB2 GLU 72 2HB GLU 72 8.325 4.088 1.229 573 HB3 GLU 72 1HB GLU 72 9.583 4.696 0.164 574 HG2 GLU 72 2HG GLU 72 9.865 6.646 1.429 575 HG3 GLU 72 1HG GLU 72 8.342 6.407 2.286 576 H GLN 73 H GLN 73 9.088 5.592 -2.255 577 HA GLN 73 HA GLN 73 10.186 8.169 -2.094 578 HB2 GLN 73 2HB GLN 73 11.110 7.779 -4.235 579 HB3 GLN 73 1HB GLN 73 11.045 6.210 -3.451 580 HG2 GLN 73 2HG GLN 73 8.869 5.837 -4.683 581 HG3 GLN 73 1HG GLN 73 9.279 7.270 -5.633 582 HE21 GLN 73 1HE2 GLN 73 8.918 4.707 -6.695 583 HE22 GLN 73 2HE2 GLN 73 10.429 4.156 -7.336 584 H LEU 74 H LEU 74 7.131 7.081 -3.400 585 HA LEU 74 HA LEU 74 6.714 9.677 -4.664 586 HB2 LEU 74 2HB LEU 74 4.669 8.785 -5.580 587 HB3 LEU 74 1HB LEU 74 5.987 7.677 -5.892 588 HG LEU 74 HG LEU 74 4.990 6.595 -3.625 589 HD11 LEU 74 1HD1 LEU 74 3.157 8.210 -3.486 590 HD12 LEU 74 2HD1 LEU 74 2.563 6.572 -3.760 591 HD13 LEU 74 3HD1 LEU 74 2.614 7.723 -5.093 592 HD21 LEU 74 3HD2 LEU 74 3.864 4.975 -5.096 593 HD22 LEU 74 1HD2 LEU 74 5.482 5.394 -5.668 594 HD23 LEU 74 2HD2 LEU 74 4.064 6.094 -6.446 595 H THR 75 H THR 75 5.884 7.914 -1.807 596 HA THR 75 HA THR 75 3.706 9.605 -1.032 597 HB THR 75 HB THR 75 5.354 7.790 0.741 598 HG1 THR 75 HG1 THR 75 4.460 6.635 -1.046 599 HG21 THR 75 3HG2 THR 75 2.507 8.778 0.999 600 HG22 THR 75 1HG2 THR 75 3.882 9.364 1.937 601 HG23 THR 75 2HG2 THR 75 3.337 7.697 2.118 602 H GLU 76 H GLU 76 7.130 9.732 -0.835 603 HA GLU 76 HA GLU 76 7.662 11.268 1.385 604 HB2 GLU 76 2HB GLU 76 8.937 11.005 -1.301 605 HB3 GLU 76 1HB GLU 76 9.512 12.260 -0.208 606 HG2 GLU 76 2HG GLU 76 9.259 9.724 1.140 607 HG3 GLU 76 1HG GLU 76 10.300 9.602 -0.279 608 H LEU 77 H LEU 77 6.244 12.268 -1.637 609 HA LEU 77 HA LEU 77 6.621 15.052 -1.400 610 HB2 LEU 77 2HB LEU 77 4.651 13.342 -2.885 611 HB3 LEU 77 1HB LEU 77 4.499 15.088 -2.890 612 HG LEU 77 HG LEU 77 6.908 15.125 -3.768 613 HD11 LEU 77 1HD1 LEU 77 7.560 12.861 -3.278 614 HD12 LEU 77 2HD1 LEU 77 7.552 13.090 -5.026 615 HD13 LEU 77 3HD1 LEU 77 6.228 12.229 -4.245 616 HD21 LEU 77 3HD2 LEU 77 4.958 15.666 -5.128 617 HD22 LEU 77 1HD2 LEU 77 4.715 13.954 -5.471 618 HD23 LEU 77 2HD2 LEU 77 6.157 14.775 -6.064 619 H ILE 78 H ILE 78 4.162 12.866 -0.187 620 HA ILE 78 HA ILE 78 2.672 15.095 0.973 621 HB ILE 78 HB ILE 78 1.925 12.175 1.133 622 HG12 ILE 78 2HG1 ILE 78 0.293 13.373 -0.787 623 HG13 ILE 78 1HG1 ILE 78 1.913 13.941 -1.178 624 HG21 ILE 78 1HG2 ILE 78 -0.339 13.067 1.440 625 HG22 ILE 78 2HG2 ILE 78 0.303 14.707 1.357 626 HG23 ILE 78 3HG2 ILE 78 0.769 13.645 2.686 627 HD11 ILE 78 3HD1 ILE 78 1.085 11.063 -0.873 628 HD12 ILE 78 1HD1 ILE 78 2.699 11.638 -1.292 629 HD13 ILE 78 2HD1 ILE 78 1.352 11.912 -2.396 630 H ALA 79 H ALA 79 4.694 12.385 1.882 631 HA ALA 79 HA ALA 79 4.111 12.197 4.600 632 HB1 ALA 79 1HB ALA 79 6.747 11.745 3.219 633 HB2 ALA 79 2HB ALA 79 6.332 11.195 4.842 634 HB3 ALA 79 3HB ALA 79 5.464 10.556 3.445 635 H SER 80 H SER 80 6.190 14.471 2.910 636 HA SER 80 HA SER 80 7.451 15.506 5.232 637 HB2 SER 80 2HB SER 80 7.065 16.893 2.576 638 HB3 SER 80 1HB SER 80 8.320 17.208 3.774 639 HG SER 80 HG SER 80 8.021 14.996 2.049 640 H LYS 81 H LYS 81 4.310 15.805 4.081 641 HA LYS 81 HA LYS 81 3.697 17.883 6.016 642 HB2 LYS 81 2HB LYS 81 2.264 19.025 4.169 643 HB3 LYS 81 1HB LYS 81 3.984 19.385 4.252 644 HG2 LYS 81 2HG LYS 81 4.433 17.841 2.436 645 HG3 LYS 81 1HG LYS 81 2.735 17.360 2.393 646 HD2 LYS 81 2HD LYS 81 3.410 20.242 2.099 647 HD3 LYS 81 1HD LYS 81 3.690 19.165 0.731 648 HE2 LYS 81 2HE LYS 81 1.418 18.580 0.587 649 HE3 LYS 81 1HE LYS 81 1.067 19.228 2.190 650 HZ1 LYS 81 3HZ LYS 81 0.341 20.602 0.229 651 HZ2 LYS 81 1HZ LYS 81 1.976 20.948 -0.034 652 HZ3 LYS 81 2HZ LYS 81 1.233 21.412 1.414 653 H LYS 82 H LYS 82 3.124 15.270 6.215 654 HA LYS 82 HA LYS 82 0.651 14.540 5.058 655 HB2 LYS 82 2HB LYS 82 0.656 12.657 6.682 656 HB3 LYS 82 1HB LYS 82 2.109 12.784 5.708 657 HG2 LYS 82 2HG LYS 82 2.758 14.198 7.990 658 HG3 LYS 82 1HG LYS 82 1.773 12.861 8.587 659 HD2 LYS 82 2HD LYS 82 3.185 11.279 7.344 660 HD3 LYS 82 1HD LYS 82 4.189 12.627 6.798 661 HE2 LYS 82 2HE LYS 82 3.750 11.874 9.692 662 HE3 LYS 82 1HE LYS 82 5.156 11.404 8.733 663 HZ1 LYS 82 3HZ LYS 82 5.614 13.795 8.407 664 HZ2 LYS 82 1HZ LYS 82 5.699 13.321 10.028 665 HZ3 LYS 82 2HZ LYS 82 4.350 14.168 9.465 666 H ASP 83 H ASP 83 -0.740 16.216 5.419 667 HA ASP 83 HA ASP 83 -1.545 16.927 8.102 668 HB2 ASP 83 2HB ASP 83 -1.457 18.508 6.103 669 HB3 ASP 83 1HB ASP 83 -2.899 17.688 5.517 670 H LEU 84 H LEU 84 -2.627 14.931 5.491 671 HA LEU 84 HA LEU 84 -5.235 14.441 6.632 672 HB2 LEU 84 2HB LEU 84 -3.941 12.942 4.357 673 HB3 LEU 84 1HB LEU 84 -5.649 13.058 4.727 674 HG LEU 84 HG LEU 84 -5.464 14.450 2.899 675 HD11 LEU 84 1HD1 LEU 84 -4.959 16.296 5.228 676 HD12 LEU 84 2HD1 LEU 84 -6.528 15.692 4.692 677 HD13 LEU 84 3HD1 LEU 84 -5.601 16.778 3.656 678 HD21 LEU 84 3HD2 LEU 84 -3.030 14.310 2.693 679 HD22 LEU 84 1HD2 LEU 84 -2.858 15.517 3.968 680 HD23 LEU 84 2HD2 LEU 84 -3.615 15.955 2.439 681 H PHE 85 H PHE 85 -5.913 12.041 6.810 682 HA PHE 85 HA PHE 85 -4.119 10.813 8.711 683 HB2 PHE 85 2HB PHE 85 -6.808 9.886 7.681 684 HB3 PHE 85 1HB PHE 85 -5.918 9.138 8.999 685 HD1 PHE 85 HD1 PHE 85 -5.485 10.511 11.078 686 HD2 PHE 85 HD2 PHE 85 -8.233 11.682 8.052 687 HE1 PHE 85 HE1 PHE 85 -6.596 12.016 12.676 688 HE2 PHE 85 HE2 PHE 85 -9.347 13.195 9.645 689 HZ PHE 85 HZ PHE 85 -8.527 13.362 11.961 690 H VAL 86 H VAL 86 -2.457 10.553 6.965 691 HA VAL 86 HA VAL 86 -2.953 8.236 5.258 692 HB VAL 86 HB VAL 86 -1.992 10.071 4.058 693 HG11 VAL 86 1HG1 VAL 86 0.207 10.094 6.116 694 HG12 VAL 86 2HG1 VAL 86 -1.040 11.322 5.895 695 HG13 VAL 86 3HG1 VAL 86 0.175 11.061 4.641 696 HG21 VAL 86 3HG2 VAL 86 -1.177 7.891 3.382 697 HG22 VAL 86 1HG2 VAL 86 0.115 7.974 4.582 698 HG23 VAL 86 2HG2 VAL 86 0.106 9.090 3.217 699 H HIS 87 H HIS 87 -2.318 6.286 5.882 700 HA HIS 87 HA HIS 87 0.102 5.960 7.465 701 HB2 HIS 87 2HB HIS 87 -2.631 5.115 8.425 702 HB3 HIS 87 1HB HIS 87 -1.150 4.382 9.028 703 HD1 HIS 87 HD1 HIS 87 0.641 6.565 9.775 704 HD2 HIS 87 HD2 HIS 87 -3.482 6.955 10.168 705 HE1 HIS 87 HE1 HIS 87 0.291 8.382 11.476 706 H SER 88 H SER 88 1.218 4.347 6.555 707 HA SER 88 HA SER 88 -0.281 2.252 5.129 708 HB2 SER 88 2HB SER 88 2.572 3.104 4.598 709 HB3 SER 88 1HB SER 88 1.563 2.052 3.603 710 HG SER 88 HG SER 88 1.271 3.913 2.603 711 H ILE 89 H ILE 89 0.220 0.124 5.522 712 HA ILE 89 HA ILE 89 2.476 -0.503 7.241 713 HB ILE 89 HB ILE 89 0.608 -0.059 8.819 714 HG12 ILE 89 2HG1 ILE 89 1.270 -3.000 8.810 715 HG13 ILE 89 1HG1 ILE 89 2.481 -1.773 9.171 716 HG21 ILE 89 1HG2 ILE 89 -1.024 -2.213 8.774 717 HG22 ILE 89 2HG2 ILE 89 -0.774 -1.954 7.046 718 HG23 ILE 89 3HG2 ILE 89 -1.418 -0.654 8.049 719 HD11 ILE 89 3HD1 ILE 89 1.503 -2.750 11.188 720 HD12 ILE 89 1HD1 ILE 89 -0.087 -2.176 10.687 721 HD13 ILE 89 2HD1 ILE 89 1.188 -1.020 11.073 722 H ASP 90 H ASP 90 3.314 -2.457 6.869 723 HA ASP 90 HA ASP 90 1.835 -4.324 5.154 724 HB2 ASP 90 2HB ASP 90 3.678 -4.619 3.701 725 HB3 ASP 90 1HB ASP 90 3.569 -2.876 3.922 726 H SER 91 H SER 91 3.650 -6.361 5.012 727 HA SER 91 HA SER 91 4.329 -6.951 7.811 728 HB2 SER 91 2HB SER 91 3.170 -9.048 5.987 729 HB3 SER 91 1HB SER 91 3.291 -9.063 7.747 730 HG SER 91 HG SER 91 1.887 -6.998 7.357 731 H GLU 92 H GLU 92 6.239 -6.056 6.027 732 HA GLU 92 HA GLU 92 7.573 -8.052 4.562 733 HB2 GLU 92 2HB GLU 92 9.514 -6.552 4.608 734 HB3 GLU 92 1HB GLU 92 8.039 -5.664 4.256 735 HG2 GLU 92 2HG GLU 92 8.047 -4.574 6.274 736 HG3 GLU 92 1HG GLU 92 8.975 -5.839 7.073 737 H VAL 93 H VAL 93 9.918 -8.642 5.093 738 HA VAL 93 HA VAL 93 10.027 -9.676 7.844 739 HB VAL 93 HB VAL 93 9.779 -11.533 6.375 740 HG11 VAL 93 1HG1 VAL 93 10.259 -10.604 4.251 741 HG12 VAL 93 2HG1 VAL 93 11.396 -11.929 4.497 742 HG13 VAL 93 3HG1 VAL 93 11.928 -10.261 4.705 743 HG21 VAL 93 3HG2 VAL 93 11.808 -12.789 6.741 744 HG22 VAL 93 1HG2 VAL 93 11.476 -11.775 8.146 745 HG23 VAL 93 2HG2 VAL 93 12.721 -11.301 6.988 746 H ILE 94 H ILE 94 11.821 -9.316 9.020 747 HA ILE 94 HA ILE 94 13.493 -7.178 8.425 748 HB ILE 94 HB ILE 94 14.919 -8.072 10.324 749 HG12 ILE 94 2HG1 ILE 94 12.661 -10.080 10.515 750 HG13 ILE 94 1HG1 ILE 94 14.296 -10.464 9.995 751 HG21 ILE 94 1HG2 ILE 94 11.967 -7.607 10.707 752 HG22 ILE 94 2HG2 ILE 94 13.254 -6.400 10.722 753 HG23 ILE 94 3HG2 ILE 94 13.153 -7.592 12.015 754 HD11 ILE 94 3HD1 ILE 94 13.908 -11.090 12.315 755 HD12 ILE 94 1HD1 ILE 94 13.528 -9.413 12.709 756 HD13 ILE 94 2HD1 ILE 94 15.152 -9.848 12.176 757 H THR 95 H THR 95 15.626 -7.007 7.823 758 HA THR 95 HA THR 95 16.819 -9.394 6.579 759 HB THR 95 HB THR 95 17.311 -6.609 5.556 760 HG1 THR 95 HG1 THR 95 15.157 -6.721 5.211 761 HG21 THR 95 3HG2 THR 95 17.428 -9.327 4.242 762 HG22 THR 95 1HG2 THR 95 18.815 -8.414 4.836 763 HG23 THR 95 2HG2 THR 95 17.860 -7.789 3.492 764 H LYS 96 H LYS 96 18.963 -9.754 6.951 765 HA LYS 96 HA LYS 96 20.206 -8.250 9.076 766 HB2 LYS 96 2HB LYS 96 22.060 -9.981 8.750 767 HB3 LYS 96 1HB LYS 96 20.497 -10.574 9.293 768 HG2 LYS 96 2HG LYS 96 20.002 -11.132 6.888 769 HG3 LYS 96 1HG LYS 96 21.695 -10.786 6.546 770 HD2 LYS 96 2HD LYS 96 22.400 -12.523 8.059 771 HD3 LYS 96 1HD LYS 96 20.734 -12.805 8.568 772 HE2 LYS 96 2HE LYS 96 21.629 -13.108 5.714 773 HE3 LYS 96 1HE LYS 96 21.706 -14.432 6.875 774 HZ1 LYS 96 3HZ LYS 96 19.340 -14.298 7.179 775 HZ2 LYS 96 1HZ LYS 96 19.671 -14.452 5.528 776 HZ3 LYS 96 2HZ LYS 96 19.232 -12.951 6.166 777 H LYS 97 H LYS 97 20.600 -6.261 8.147 778 HA LYS 97 HA LYS 97 23.068 -6.064 6.684 779 HB2 LYS 97 2HB LYS 97 21.658 -6.295 4.783 780 HB3 LYS 97 1HB LYS 97 20.467 -5.212 5.474 781 HG2 LYS 97 2HG LYS 97 22.279 -3.403 5.334 782 HG3 LYS 97 1HG LYS 97 23.127 -4.524 4.268 783 HD2 LYS 97 2HD LYS 97 20.272 -3.688 3.797 784 HD3 LYS 97 1HD LYS 97 21.640 -2.774 3.166 785 HE2 LYS 97 2HE LYS 97 22.392 -4.683 1.904 786 HE3 LYS 97 1HE LYS 97 21.144 -5.696 2.626 787 HZ1 LYS 97 3HZ LYS 97 20.663 -3.357 0.865 788 HZ2 LYS 97 1HZ LYS 97 19.469 -4.339 1.548 789 HZ3 LYS 97 2HZ LYS 97 20.538 -4.977 0.408 790 H GLU 98 H GLU 98 24.059 -4.084 6.974 791 HA GLU 98 HA GLU 98 22.988 -2.459 9.100 792 HB2 GLU 98 2HB GLU 98 25.572 -2.441 7.557 793 HB3 GLU 98 1HB GLU 98 25.150 -1.130 8.649 794 HG2 GLU 98 2HG GLU 98 24.723 -3.407 10.153 795 HG3 GLU 98 1HG GLU 98 26.182 -3.768 9.228 796 H ALA 99 H ALA 99 21.187 -1.456 8.222 797 HA ALA 99 HA ALA 99 21.402 0.075 5.787 798 HB1 ALA 99 1HB ALA 99 19.148 -0.103 7.782 799 HB2 ALA 99 2HB ALA 99 19.063 0.665 6.197 800 HB3 ALA 99 3HB ALA 99 19.319 -1.077 6.321 801 H GLN 100 H GLN 100 23.296 1.211 6.942 802 HA GLN 100 HA GLN 100 22.594 3.267 8.817 803 HB2 GLN 100 2HB GLN 100 24.846 2.150 8.679 804 HB3 GLN 100 1HB GLN 100 25.123 3.034 7.184 805 HG2 GLN 100 2HG GLN 100 25.146 5.116 8.301 806 HG3 GLN 100 1HG GLN 100 24.474 4.415 9.773 807 HE21 GLN 100 1HE2 GLN 100 26.213 5.231 10.987 808 HE22 GLN 100 2HE2 GLN 100 27.786 4.518 10.916 809 H GLN 101 H GLN 101 21.884 5.246 8.395 810 HA GLN 101 HA GLN 101 21.488 6.053 5.651 811 HB2 GLN 101 2HB GLN 101 19.758 6.375 7.442 812 HB3 GLN 101 1HB GLN 101 20.810 7.583 8.172 813 HG2 GLN 101 2HG GLN 101 19.137 8.712 6.861 814 HG3 GLN 101 1HG GLN 101 20.696 8.878 6.048 815 HE21 GLN 101 1HE2 GLN 101 19.785 9.238 4.049 816 HE22 GLN 101 2HE2 GLN 101 18.987 7.994 3.148 817 H ILE 102 H ILE 102 23.681 6.296 5.042 818 HA ILE 102 HA ILE 102 24.802 8.861 5.903 819 HB ILE 102 HB ILE 102 26.143 7.154 6.976 820 HG12 ILE 102 2HG1 ILE 102 28.374 7.649 5.826 821 HG13 ILE 102 1HG1 ILE 102 27.427 8.558 4.647 822 HG21 ILE 102 1HG2 ILE 102 26.467 5.986 4.226 823 HG22 ILE 102 2HG2 ILE 102 25.718 5.233 5.632 824 HG23 ILE 102 3HG2 ILE 102 27.457 5.532 5.614 825 HD11 ILE 102 3HD1 ILE 102 28.431 9.920 6.475 826 HD12 ILE 102 1HD1 ILE 102 27.359 9.090 7.602 827 HD13 ILE 102 2HD1 ILE 102 26.684 10.080 6.310 828 H ARG 103 H ARG 103 25.257 10.205 4.266 829 HA ARG 103 HA ARG 103 25.678 9.093 1.600 830 HB2 ARG 103 2HB ARG 103 23.218 9.862 2.126 831 HB3 ARG 103 1HB ARG 103 23.892 11.472 1.908 832 HG2 ARG 103 2HG ARG 103 22.920 10.830 -0.167 833 HG3 ARG 103 1HG ARG 103 24.661 10.751 -0.363 834 HD2 ARG 103 2HD ARG 103 23.636 8.848 -1.410 835 HD3 ARG 103 1HD ARG 103 24.575 8.321 -0.021 836 HE ARG 103 HE ARG 103 21.771 8.779 0.509 837 HH11 ARG 103 1HH1 ARG 103 24.202 6.444 -0.460 838 HH12 ARG 103 2HH1 ARG 103 23.246 5.067 0.004 839 HH21 ARG 103 1HH2 ARG 103 20.511 6.975 1.115 840 HH22 ARG 103 2HH2 ARG 103 21.152 5.375 0.905 841 H GLU 104 H GLU 104 27.511 9.914 0.858 842 HA GLU 104 HA GLU 104 28.650 12.325 1.969 843 HB2 GLU 104 2HB GLU 104 29.980 10.283 1.350 844 HB3 GLU 104 1HB GLU 104 29.629 10.625 -0.336 845 HG2 GLU 104 2HG GLU 104 30.721 12.877 0.041 846 HG3 GLU 104 1HG GLU 104 31.292 12.221 1.576 847 H GLU 105 H GLU 105 26.526 11.520 -0.440 848 HA GLU 105 HA GLU 105 27.177 13.569 -2.353 849 HB2 GLU 105 2HB GLU 105 24.630 11.954 -2.126 850 HB3 GLU 105 1HB GLU 105 25.192 12.844 -3.533 851 HG2 GLU 105 2HG GLU 105 27.110 11.316 -3.707 852 HG3 GLU 105 1HG GLU 105 26.484 10.405 -2.335 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -28.373 -23.341 -11.488 2 HA2 GLY 1 1HA GLY 1 -28.776 -23.913 -13.827 3 HA3 GLY 1 2HA GLY 1 -29.100 -22.213 -14.132 4 H SER 2 H SER 2 -27.310 -20.696 -13.466 5 HA SER 2 HA SER 2 -24.823 -21.740 -14.524 6 HB2 SER 2 2HB SER 2 -25.428 -18.921 -13.595 7 HB3 SER 2 1HB SER 2 -24.113 -19.439 -14.651 8 HG SER 2 HG SER 2 -26.265 -20.318 -15.812 9 H HIS 3 H HIS 3 -22.774 -21.473 -13.422 10 HA HIS 3 HA HIS 3 -22.916 -22.316 -10.721 11 HB2 HIS 3 2HB HIS 3 -20.588 -22.574 -10.789 12 HB3 HIS 3 1HB HIS 3 -21.095 -22.864 -12.445 13 HD1 HIS 3 HD1 HIS 3 -18.548 -21.211 -10.649 14 HD2 HIS 3 HD2 HIS 3 -20.818 -20.230 -13.993 15 HE1 HIS 3 HE1 HIS 3 -17.252 -19.429 -11.852 16 H MET 4 H MET 4 -22.697 -21.271 -8.846 17 HA MET 4 HA MET 4 -22.375 -18.343 -8.970 18 HB2 MET 4 2HB MET 4 -24.596 -18.924 -8.248 19 HB3 MET 4 1HB MET 4 -23.970 -20.080 -7.082 20 HG2 MET 4 2HG MET 4 -22.903 -18.170 -5.878 21 HG3 MET 4 1HG MET 4 -23.753 -17.084 -6.975 22 HE1 MET 4 3HE MET 4 -24.405 -16.148 -4.381 23 HE2 MET 4 1HE MET 4 -23.805 -17.610 -3.600 24 HE3 MET 4 2HE MET 4 -25.457 -17.068 -3.307 25 H LYS 5 H LYS 5 -20.959 -17.351 -7.592 26 HA LYS 5 HA LYS 5 -18.954 -19.039 -6.349 27 HB2 LYS 5 2HB LYS 5 -18.337 -17.016 -7.663 28 HB3 LYS 5 1HB LYS 5 -19.154 -16.020 -6.464 29 HG2 LYS 5 2HG LYS 5 -17.537 -17.165 -4.784 30 HG3 LYS 5 1HG LYS 5 -16.600 -17.554 -6.229 31 HD2 LYS 5 2HD LYS 5 -17.511 -14.766 -5.540 32 HD3 LYS 5 1HD LYS 5 -15.948 -15.422 -5.055 33 HE2 LYS 5 2HE LYS 5 -15.395 -15.803 -7.416 34 HE3 LYS 5 1HE LYS 5 -16.948 -15.116 -7.885 35 HZ1 LYS 5 3HZ LYS 5 -14.681 -13.718 -7.708 36 HZ2 LYS 5 1HZ LYS 5 -15.322 -13.442 -6.171 37 HZ3 LYS 5 2HZ LYS 5 -16.217 -13.034 -7.542 38 H THR 6 H THR 6 -18.938 -19.575 -4.238 39 HA THR 6 HA THR 6 -20.917 -18.296 -2.510 40 HB THR 6 HB THR 6 -19.914 -20.309 -0.991 41 HG1 THR 6 HG1 THR 6 -18.958 -21.752 -2.201 42 HG21 THR 6 3HG2 THR 6 -22.286 -19.855 -1.516 43 HG22 THR 6 1HG2 THR 6 -21.893 -21.572 -1.625 44 HG23 THR 6 2HG2 THR 6 -22.065 -20.610 -3.094 45 H LYS 7 H LYS 7 -17.436 -18.872 -2.710 46 HA LYS 7 HA LYS 7 -16.963 -16.723 -0.856 47 HB2 LYS 7 2HB LYS 7 -15.666 -18.052 0.764 48 HB3 LYS 7 1HB LYS 7 -17.354 -18.535 0.724 49 HG2 LYS 7 2HG LYS 7 -16.840 -20.502 -0.537 50 HG3 LYS 7 1HG LYS 7 -15.168 -19.976 -0.761 51 HD2 LYS 7 2HD LYS 7 -14.748 -20.171 1.614 52 HD3 LYS 7 1HD LYS 7 -16.439 -20.580 1.908 53 HE2 LYS 7 2HE LYS 7 -16.196 -22.638 0.660 54 HE3 LYS 7 1HE LYS 7 -14.543 -22.213 0.220 55 HZ1 LYS 7 3HZ LYS 7 -13.988 -22.254 2.600 56 HZ2 LYS 7 1HZ LYS 7 -14.508 -23.754 2.023 57 HZ3 LYS 7 2HZ LYS 7 -15.552 -22.802 2.947 58 H LYS 8 H LYS 8 -14.504 -16.606 -0.373 59 HA LYS 8 HA LYS 8 -12.875 -17.631 -2.563 60 HB2 LYS 8 2HB LYS 8 -11.955 -15.393 -3.045 61 HB3 LYS 8 1HB LYS 8 -13.673 -15.493 -3.407 62 HG2 LYS 8 2HG LYS 8 -13.630 -14.607 -0.789 63 HG3 LYS 8 1HG LYS 8 -12.275 -13.757 -1.537 64 HD2 LYS 8 2HD LYS 8 -13.753 -12.965 -3.316 65 HD3 LYS 8 1HD LYS 8 -15.103 -13.835 -2.590 66 HE2 LYS 8 2HE LYS 8 -13.544 -11.669 -1.196 67 HE3 LYS 8 1HE LYS 8 -15.046 -11.398 -2.078 68 HZ1 LYS 8 3HZ LYS 8 -15.348 -11.671 0.343 69 HZ2 LYS 8 1HZ LYS 8 -14.777 -13.259 0.220 70 HZ3 LYS 8 2HZ LYS 8 -16.207 -12.810 -0.563 71 H GLN 9 H GLN 9 -10.498 -16.886 -2.174 72 HA GLN 9 HA GLN 9 -9.954 -17.300 0.680 73 HB2 GLN 9 2HB GLN 9 -7.938 -17.477 -1.556 74 HB3 GLN 9 1HB GLN 9 -7.814 -18.138 0.067 75 HG2 GLN 9 2HG GLN 9 -9.645 -19.081 -2.124 76 HG3 GLN 9 1HG GLN 9 -8.203 -19.900 -1.524 77 HE21 GLN 9 1HE2 GLN 9 -10.960 -20.835 -1.649 78 HE22 GLN 9 2HE2 GLN 9 -11.402 -21.244 -0.026 79 H GLN 10 H GLN 10 -8.632 -15.451 -2.064 80 HA GLN 10 HA GLN 10 -7.721 -13.419 -0.153 81 HB2 GLN 10 2HB GLN 10 -6.146 -12.683 -1.817 82 HB3 GLN 10 1HB GLN 10 -6.002 -14.427 -1.663 83 HG2 GLN 10 2HG GLN 10 -6.106 -14.474 -3.882 84 HG3 GLN 10 1HG GLN 10 -7.825 -14.146 -3.691 85 HE21 GLN 10 1HE2 GLN 10 -4.696 -12.745 -4.373 86 HE22 GLN 10 2HE2 GLN 10 -5.293 -11.282 -5.081 87 H TYR 11 H TYR 11 -8.019 -11.170 -0.736 88 HA TYR 11 HA TYR 11 -9.970 -10.556 -2.769 89 HB2 TYR 11 2HB TYR 11 -11.378 -9.302 -0.978 90 HB3 TYR 11 1HB TYR 11 -11.613 -11.030 -1.195 91 HD1 TYR 11 HD1 TYR 11 -10.013 -8.487 0.983 92 HD2 TYR 11 HD2 TYR 11 -11.223 -12.548 0.575 93 HE1 TYR 11 HE1 TYR 11 -9.573 -8.855 3.375 94 HE2 TYR 11 HE2 TYR 11 -10.789 -12.922 2.964 95 HH TYR 11 HH TYR 11 -10.500 -10.561 5.171 96 H VAL 12 H VAL 12 -10.274 -8.264 -3.055 97 HA VAL 12 HA VAL 12 -8.305 -6.556 -1.740 98 HB VAL 12 HB VAL 12 -7.142 -7.280 -3.720 99 HG11 VAL 12 1HG1 VAL 12 -8.955 -8.078 -5.075 100 HG12 VAL 12 2HG1 VAL 12 -8.055 -6.868 -5.989 101 HG13 VAL 12 3HG1 VAL 12 -9.599 -6.442 -5.252 102 HG21 VAL 12 3HG2 VAL 12 -6.884 -5.113 -4.937 103 HG22 VAL 12 1HG2 VAL 12 -6.754 -4.988 -3.185 104 HG23 VAL 12 2HG2 VAL 12 -8.238 -4.486 -3.996 105 H THR 13 H THR 13 -9.111 -4.580 -1.286 106 HA THR 13 HA THR 13 -11.449 -3.643 -2.781 107 HB THR 13 HB THR 13 -12.386 -4.649 -0.779 108 HG1 THR 13 HG1 THR 13 -12.560 -2.005 0.021 109 HG21 THR 13 3HG2 THR 13 -10.519 -2.842 0.764 110 HG22 THR 13 1HG2 THR 13 -10.448 -4.602 0.685 111 HG23 THR 13 2HG2 THR 13 -11.813 -3.809 1.470 112 H ILE 14 H ILE 14 -11.303 -1.551 -3.344 113 HA ILE 14 HA ILE 14 -9.367 0.156 -1.931 114 HB ILE 14 HB ILE 14 -9.742 0.165 -4.934 115 HG12 ILE 14 2HG1 ILE 14 -7.395 -0.932 -3.362 116 HG13 ILE 14 1HG1 ILE 14 -8.643 -1.925 -4.104 117 HG21 ILE 14 1HG2 ILE 14 -9.005 2.283 -4.409 118 HG22 ILE 14 2HG2 ILE 14 -7.478 1.441 -4.666 119 HG23 ILE 14 3HG2 ILE 14 -8.060 1.731 -3.026 120 HD11 ILE 14 3HD1 ILE 14 -6.725 -0.107 -5.542 121 HD12 ILE 14 1HD1 ILE 14 -7.998 -1.060 -6.305 122 HD13 ILE 14 2HD1 ILE 14 -6.665 -1.869 -5.484 123 H LYS 15 H LYS 15 -10.849 1.380 -0.862 124 HA LYS 15 HA LYS 15 -13.022 2.602 -2.407 125 HB2 LYS 15 2HB LYS 15 -13.166 1.398 -0.007 126 HB3 LYS 15 1HB LYS 15 -12.788 3.033 0.524 127 HG2 LYS 15 2HG LYS 15 -15.029 2.550 -1.411 128 HG3 LYS 15 1HG LYS 15 -15.274 2.318 0.322 129 HD2 LYS 15 2HD LYS 15 -14.075 4.857 -0.725 130 HD3 LYS 15 1HD LYS 15 -15.823 4.614 -0.752 131 HE2 LYS 15 2HE LYS 15 -14.115 4.354 1.730 132 HE3 LYS 15 1HE LYS 15 -14.996 5.816 1.288 133 HZ1 LYS 15 3HZ LYS 15 -17.052 4.478 1.339 134 HZ2 LYS 15 1HZ LYS 15 -16.281 4.562 2.840 135 HZ3 LYS 15 2HZ LYS 15 -16.164 3.160 1.907 136 H GLY 16 H GLY 16 -11.565 4.025 -3.512 137 HA2 GLY 16 2HA GLY 16 -10.536 6.203 -1.804 138 HA3 GLY 16 1HA GLY 16 -9.841 5.753 -3.355 139 H THR 17 H THR 17 -13.280 5.846 -2.952 140 HA THR 17 HA THR 17 -13.358 8.215 -4.679 141 HB THR 17 HB THR 17 -15.863 7.300 -4.866 142 HG1 THR 17 HG1 THR 17 -16.056 5.246 -4.325 143 HG21 THR 17 3HG2 THR 17 -14.388 7.622 -6.766 144 HG22 THR 17 1HG2 THR 17 -15.141 6.030 -6.870 145 HG23 THR 17 2HG2 THR 17 -13.470 6.179 -6.333 146 H LYS 18 H LYS 18 -14.140 10.063 -3.911 147 HA LYS 18 HA LYS 18 -15.113 11.614 -2.572 148 HB2 LYS 18 2HB LYS 18 -16.983 9.325 -1.949 149 HB3 LYS 18 1HB LYS 18 -17.254 10.984 -1.437 150 HG2 LYS 18 2HG LYS 18 -17.407 11.706 -3.741 151 HG3 LYS 18 1HG LYS 18 -17.018 10.078 -4.300 152 HD2 LYS 18 2HD LYS 18 -19.059 9.241 -3.203 153 HD3 LYS 18 1HD LYS 18 -19.461 10.888 -2.722 154 HE2 LYS 18 2HE LYS 18 -18.962 10.239 -5.597 155 HE3 LYS 18 1HE LYS 18 -20.521 9.866 -4.870 156 HZ1 LYS 18 3HZ LYS 18 -19.246 12.537 -5.030 157 HZ2 LYS 18 1HZ LYS 18 -20.694 12.216 -4.218 158 HZ3 LYS 18 2HZ LYS 18 -20.601 12.015 -5.895 159 H ASN 19 H ASN 19 -12.878 10.361 -1.533 160 HA ASN 19 HA ASN 19 -12.948 11.129 1.152 161 HB2 ASN 19 2HB ASN 19 -12.964 9.130 2.383 162 HB3 ASN 19 1HB ASN 19 -14.230 8.864 1.196 163 HD21 ASN 19 1HD2 ASN 19 -13.718 7.541 -0.657 164 HD22 ASN 19 2HD2 ASN 19 -12.517 6.298 -0.496 165 H GLY 20 H GLY 20 -10.816 9.552 2.134 166 HA2 GLY 20 2HA GLY 20 -8.651 10.681 0.632 167 HA3 GLY 20 1HA GLY 20 -8.512 9.675 2.069 168 H LEU 21 H LEU 21 -8.471 7.404 1.845 169 HA LEU 21 HA LEU 21 -8.693 6.041 -0.606 170 HB2 LEU 21 2HB LEU 21 -6.627 7.321 -1.097 171 HB3 LEU 21 1HB LEU 21 -5.864 6.577 0.291 172 HG LEU 21 HG LEU 21 -6.109 4.364 -0.786 173 HD11 LEU 21 1HD1 LEU 21 -6.645 4.288 -3.190 174 HD12 LEU 21 2HD1 LEU 21 -7.129 5.982 -3.111 175 HD13 LEU 21 3HD1 LEU 21 -8.020 4.767 -2.194 176 HD21 LEU 21 3HD2 LEU 21 -4.353 4.686 -2.428 177 HD22 LEU 21 1HD2 LEU 21 -4.041 5.657 -0.992 178 HD23 LEU 21 2HD2 LEU 21 -4.669 6.418 -2.455 179 H THR 22 H THR 22 -9.848 4.629 0.753 180 HA THR 22 HA THR 22 -8.288 3.264 2.835 181 HB THR 22 HB THR 22 -11.200 2.737 2.346 182 HG1 THR 22 HG1 THR 22 -10.174 5.142 2.919 183 HG21 THR 22 3HG2 THR 22 -9.906 1.373 3.964 184 HG22 THR 22 1HG2 THR 22 -11.212 2.281 4.724 185 HG23 THR 22 2HG2 THR 22 -9.548 2.843 4.873 186 H LEU 23 H LEU 23 -7.109 1.646 1.931 187 HA LEU 23 HA LEU 23 -8.581 -0.251 0.228 188 HB2 LEU 23 2HB LEU 23 -6.575 -0.649 -1.080 189 HB3 LEU 23 1HB LEU 23 -7.026 1.043 -1.151 190 HG LEU 23 HG LEU 23 -5.079 0.406 0.948 191 HD11 LEU 23 1HD1 LEU 23 -4.420 0.005 -1.962 192 HD12 LEU 23 2HD1 LEU 23 -4.202 -1.137 -0.637 193 HD13 LEU 23 3HD1 LEU 23 -3.207 0.312 -0.720 194 HD21 LEU 23 3HD2 LEU 23 -3.994 2.408 -0.045 195 HD22 LEU 23 1HD2 LEU 23 -5.663 2.680 0.458 196 HD23 LEU 23 2HD2 LEU 23 -5.280 2.455 -1.250 197 H HIS 24 H HIS 24 -7.936 -2.423 0.352 198 HA HIS 24 HA HIS 24 -6.081 -3.211 2.439 199 HB2 HIS 24 2HB HIS 24 -8.146 -3.015 3.716 200 HB3 HIS 24 1HB HIS 24 -9.014 -3.970 2.520 201 HD1 HIS 24 HD1 HIS 24 -6.823 -4.281 5.501 202 HD2 HIS 24 HD2 HIS 24 -8.423 -6.772 2.585 203 HE1 HIS 24 HE1 HIS 24 -6.473 -6.620 6.342 204 H LEU 25 H LEU 25 -5.033 -5.029 1.903 205 HA LEU 25 HA LEU 25 -6.178 -6.749 -0.190 206 HB2 LEU 25 2HB LEU 25 -4.380 -5.325 -1.105 207 HB3 LEU 25 1HB LEU 25 -3.283 -5.938 0.115 208 HG LEU 25 HG LEU 25 -3.504 -8.206 -0.857 209 HD11 LEU 25 1HD1 LEU 25 -4.517 -8.449 -3.075 210 HD12 LEU 25 2HD1 LEU 25 -5.105 -6.789 -2.982 211 HD13 LEU 25 3HD1 LEU 25 -5.708 -8.001 -1.852 212 HD21 LEU 25 3HD2 LEU 25 -2.152 -7.772 -2.821 213 HD22 LEU 25 1HD2 LEU 25 -1.679 -6.702 -1.501 214 HD23 LEU 25 2HD2 LEU 25 -2.668 -6.085 -2.826 215 H ASP 26 H ASP 26 -5.657 -8.967 -0.001 216 HA ASP 26 HA ASP 26 -4.284 -9.798 2.450 217 HB2 ASP 26 2HB ASP 26 -7.093 -9.747 2.205 218 HB3 ASP 26 1HB ASP 26 -6.629 -11.435 2.029 219 H ASP 27 H ASP 27 -2.691 -10.370 0.732 220 HA ASP 27 HA ASP 27 -3.064 -13.116 -0.090 221 HB2 ASP 27 2HB ASP 27 -4.061 -11.641 -1.946 222 HB3 ASP 27 1HB ASP 27 -2.406 -11.151 -2.281 223 H ALA 28 H ALA 28 -1.068 -14.053 -0.993 224 HA ALA 28 HA ALA 28 1.355 -12.499 -0.507 225 HB1 ALA 28 1HB ALA 28 0.934 -13.531 1.641 226 HB2 ALA 28 2HB ALA 28 2.338 -14.279 0.881 227 HB3 ALA 28 3HB ALA 28 0.786 -15.116 0.878 228 H CYS 29 H CYS 29 3.218 -13.362 -1.477 229 HA CYS 29 HA CYS 29 4.448 -14.371 -3.086 230 HB2 CYS 29 2HB CYS 29 2.428 -16.575 -2.674 231 HB3 CYS 29 1HB CYS 29 3.835 -16.732 -3.719 232 HG CYS 29 HG CYS 29 3.864 -17.844 -0.912 233 H SER 30 H SER 30 1.956 -12.751 -3.716 234 HA SER 30 HA SER 30 1.703 -13.615 -6.521 235 HB2 SER 30 2HB SER 30 -0.359 -12.167 -4.836 236 HB3 SER 30 1HB SER 30 -0.551 -12.640 -6.524 237 HG SER 30 HG SER 30 -1.213 -14.053 -4.467 238 H PHE 31 H PHE 31 0.832 -11.610 -7.844 239 HA PHE 31 HA PHE 31 2.689 -9.412 -7.292 240 HB2 PHE 31 2HB PHE 31 2.310 -8.799 -9.695 241 HB3 PHE 31 1HB PHE 31 3.046 -10.381 -9.471 242 HD1 PHE 31 HD2 PHE 31 1.501 -12.422 -9.586 243 HD2 PHE 31 HD1 PHE 31 0.395 -8.556 -10.974 244 HE1 PHE 31 HE2 PHE 31 -0.266 -13.427 -10.967 245 HE2 PHE 31 HE1 PHE 31 -1.372 -9.556 -12.355 246 HZ PHE 31 HZ PHE 31 -1.708 -11.989 -12.356 247 H ASP 32 H ASP 32 1.807 -7.683 -6.338 248 HA ASP 32 HA ASP 32 -1.078 -7.247 -6.697 249 HB2 ASP 32 2HB ASP 32 0.493 -6.000 -4.482 250 HB3 ASP 32 1HB ASP 32 -1.204 -6.474 -4.517 251 H GLU 33 H GLU 33 1.140 -6.230 -8.443 252 HA GLU 33 HA GLU 33 1.535 -3.491 -8.008 253 HB2 GLU 33 2HB GLU 33 2.205 -3.357 -10.345 254 HB3 GLU 33 1HB GLU 33 2.879 -4.793 -9.589 255 HG2 GLU 33 2HG GLU 33 1.554 -6.223 -10.802 256 HG3 GLU 33 1HG GLU 33 0.309 -5.008 -11.072 257 H LEU 34 H LEU 34 -1.240 -5.185 -9.163 258 HA LEU 34 HA LEU 34 -2.461 -3.064 -10.592 259 HB2 LEU 34 2HB LEU 34 -3.470 -5.579 -9.314 260 HB3 LEU 34 1HB LEU 34 -4.614 -4.381 -9.884 261 HG LEU 34 HG LEU 34 -4.412 -6.007 -11.597 262 HD11 LEU 34 1HD1 LEU 34 -2.584 -3.862 -12.603 263 HD12 LEU 34 2HD1 LEU 34 -4.268 -3.521 -12.212 264 HD13 LEU 34 3HD1 LEU 34 -3.876 -4.718 -13.445 265 HD21 LEU 34 3HD2 LEU 34 -1.440 -5.692 -11.296 266 HD22 LEU 34 1HD2 LEU 34 -2.213 -6.547 -12.628 267 HD23 LEU 34 2HD2 LEU 34 -2.410 -7.127 -10.975 268 H LEU 35 H LEU 35 -2.358 -4.001 -7.226 269 HA LEU 35 HA LEU 35 -4.345 -2.112 -6.374 270 HB2 LEU 35 2HB LEU 35 -4.103 -4.065 -5.042 271 HB3 LEU 35 1HB LEU 35 -2.364 -3.867 -4.937 272 HG LEU 35 HG LEU 35 -3.583 -1.556 -3.799 273 HD11 LEU 35 1HD1 LEU 35 -5.591 -2.785 -3.427 274 HD12 LEU 35 2HD1 LEU 35 -4.731 -2.687 -1.892 275 HD13 LEU 35 3HD1 LEU 35 -4.693 -4.179 -2.828 276 HD21 LEU 35 3HD2 LEU 35 -2.133 -3.857 -2.501 277 HD22 LEU 35 1HD2 LEU 35 -2.330 -2.231 -1.847 278 HD23 LEU 35 2HD2 LEU 35 -1.356 -2.487 -3.296 279 H ASP 36 H ASP 36 -0.814 -2.363 -6.230 280 HA ASP 36 HA ASP 36 -0.259 0.024 -4.904 281 HB2 ASP 36 2HB ASP 36 1.424 -1.214 -7.097 282 HB3 ASP 36 1HB ASP 36 1.983 -0.147 -5.815 283 H GLY 37 H GLY 37 -0.783 -0.637 -8.324 284 HA2 GLY 37 2HA GLY 37 -0.102 1.869 -9.367 285 HA3 GLY 37 1HA GLY 37 -1.233 0.741 -10.100 286 H LEU 38 H LEU 38 -3.274 0.672 -8.266 287 HA LEU 38 HA LEU 38 -4.609 3.127 -8.835 288 HB2 LEU 38 2HB LEU 38 -5.319 0.593 -7.456 289 HB3 LEU 38 1HB LEU 38 -6.271 2.007 -7.057 290 HG LEU 38 HG LEU 38 -7.394 0.769 -8.788 291 HD11 LEU 38 1HD1 LEU 38 -7.738 2.482 -10.387 292 HD12 LEU 38 2HD1 LEU 38 -6.132 3.155 -10.114 293 HD13 LEU 38 3HD1 LEU 38 -7.367 3.279 -8.859 294 HD21 LEU 38 3HD2 LEU 38 -4.814 1.012 -10.326 295 HD22 LEU 38 1HD2 LEU 38 -6.340 0.455 -11.011 296 HD23 LEU 38 2HD2 LEU 38 -5.561 -0.469 -9.727 297 H GLN 39 H GLN 39 -2.887 1.834 -6.108 298 HA GLN 39 HA GLN 39 -3.786 3.528 -4.077 299 HB2 GLN 39 2HB GLN 39 -2.467 1.638 -3.491 300 HB3 GLN 39 1HB GLN 39 -1.165 2.118 -4.565 301 HG2 GLN 39 2HG GLN 39 -1.758 4.052 -2.447 302 HG3 GLN 39 1HG GLN 39 -1.199 2.481 -1.871 303 HE21 GLN 39 1HE2 GLN 39 0.845 1.694 -2.720 304 HE22 GLN 39 2HE2 GLN 39 2.072 2.818 -3.205 305 H ASN 40 H ASN 40 -1.045 3.884 -6.291 306 HA ASN 40 HA ASN 40 -0.353 6.499 -5.374 307 HB2 ASN 40 2HB ASN 40 1.384 5.143 -6.310 308 HB3 ASN 40 1HB ASN 40 0.461 4.871 -7.784 309 HD21 ASN 40 1HD2 ASN 40 2.300 7.204 -5.950 310 HD22 ASN 40 2HD2 ASN 40 2.630 8.267 -7.272 311 H MET 41 H MET 41 -2.278 5.225 -8.014 312 HA MET 41 HA MET 41 -2.529 7.608 -9.495 313 HB2 MET 41 2HB MET 41 -3.031 5.295 -10.298 314 HB3 MET 41 1HB MET 41 -4.511 5.342 -9.350 315 HG2 MET 41 2HG MET 41 -5.298 7.237 -10.660 316 HG3 MET 41 1HG MET 41 -3.809 7.197 -11.607 317 HE1 MET 41 3HE MET 41 -3.044 5.116 -13.016 318 HE2 MET 41 1HE MET 41 -4.080 3.752 -13.441 319 HE3 MET 41 2HE MET 41 -3.437 3.893 -11.805 320 H LEU 42 H LEU 42 -4.773 6.137 -7.133 321 HA LEU 42 HA LEU 42 -6.671 8.232 -7.365 322 HB2 LEU 42 2HB LEU 42 -6.289 6.054 -5.337 323 HB3 LEU 42 1HB LEU 42 -7.582 7.233 -5.213 324 HG LEU 42 HG LEU 42 -7.174 5.314 -7.510 325 HD11 LEU 42 1HD1 LEU 42 -7.919 4.248 -5.408 326 HD12 LEU 42 2HD1 LEU 42 -9.131 4.174 -6.688 327 HD13 LEU 42 3HD1 LEU 42 -9.302 5.341 -5.378 328 HD21 LEU 42 3HD2 LEU 42 -9.270 7.411 -6.975 329 HD22 LEU 42 1HD2 LEU 42 -9.474 6.107 -8.144 330 HD23 LEU 42 2HD2 LEU 42 -8.188 7.291 -8.363 331 H SER 43 H SER 43 -3.986 7.720 -5.118 332 HA SER 43 HA SER 43 -4.726 9.669 -3.234 333 HB2 SER 43 2HB SER 43 -2.169 9.712 -2.793 334 HB3 SER 43 1HB SER 43 -3.046 8.206 -2.516 335 HG SER 43 HG SER 43 -1.995 7.298 -4.099 336 H ILE 44 H ILE 44 -2.835 9.906 -6.206 337 HA ILE 44 HA ILE 44 -2.262 12.696 -5.806 338 HB ILE 44 HB ILE 44 -1.957 11.014 -8.299 339 HG12 ILE 44 2HG1 ILE 44 0.102 11.797 -6.225 340 HG13 ILE 44 1HG1 ILE 44 -0.635 10.204 -6.361 341 HG21 ILE 44 1HG2 ILE 44 -0.823 13.722 -7.609 342 HG22 ILE 44 2HG2 ILE 44 -2.027 13.373 -8.848 343 HG23 ILE 44 3HG2 ILE 44 -0.380 12.765 -9.023 344 HD11 ILE 44 3HD1 ILE 44 1.559 10.194 -7.356 345 HD12 ILE 44 1HD1 ILE 44 1.125 11.544 -8.402 346 HD13 ILE 44 2HD1 ILE 44 0.339 9.981 -8.611 347 H GLU 45 H GLU 45 -4.717 10.801 -7.397 348 HA GLU 45 HA GLU 45 -5.736 12.873 -9.045 349 HB2 GLU 45 2HB GLU 45 -6.134 10.421 -9.392 350 HB3 GLU 45 1HB GLU 45 -7.243 10.465 -8.027 351 HG2 GLU 45 2HG GLU 45 -8.454 12.314 -9.311 352 HG3 GLU 45 1HG GLU 45 -7.509 11.783 -10.702 353 H GLN 46 H GLN 46 -7.072 11.443 -6.039 354 HA GLN 46 HA GLN 46 -8.068 14.082 -5.318 355 HB2 GLN 46 2HB GLN 46 -10.018 13.497 -6.368 356 HB3 GLN 46 1HB GLN 46 -9.765 11.778 -6.112 357 HG2 GLN 46 2HG GLN 46 -10.157 12.963 -3.562 358 HG3 GLN 46 1HG GLN 46 -11.421 13.569 -4.637 359 HE21 GLN 46 1HE2 GLN 46 -9.920 10.693 -3.332 360 HE22 GLN 46 2HE2 GLN 46 -11.252 9.624 -3.617 361 H TYR 47 H TYR 47 -7.403 14.398 -3.311 362 HA TYR 47 HA TYR 47 -7.753 12.261 -1.335 363 HB2 TYR 47 2HB TYR 47 -5.575 12.802 -0.318 364 HB3 TYR 47 1HB TYR 47 -5.380 12.246 -1.975 365 HD1 TYR 47 HD1 TYR 47 -5.203 14.127 -3.792 366 HD2 TYR 47 HD2 TYR 47 -4.509 14.760 0.359 367 HE1 TYR 47 HE1 TYR 47 -3.901 16.140 -4.324 368 HE2 TYR 47 HE2 TYR 47 -3.205 16.781 -0.166 369 HH TYR 47 HH TYR 47 -1.816 17.545 -2.401 370 H THR 48 H THR 48 -9.151 14.761 -2.124 371 HA THR 48 HA THR 48 -8.865 16.309 0.348 372 HB THR 48 HB THR 48 -10.434 17.472 -1.856 373 HG1 THR 48 HG1 THR 48 -8.323 18.070 -2.868 374 HG21 THR 48 3HG2 THR 48 -9.872 18.718 0.186 375 HG22 THR 48 1HG2 THR 48 -9.153 19.467 -1.241 376 HG23 THR 48 2HG2 THR 48 -8.155 18.500 -0.156 377 H ASP 49 H ASP 49 -10.353 15.768 1.810 378 HA ASP 49 HA ASP 49 -13.134 15.418 0.915 379 HB2 ASP 49 2HB ASP 49 -12.343 13.217 1.503 380 HB3 ASP 49 1HB ASP 49 -11.634 13.813 2.998 381 H GLY 50 H GLY 50 -14.705 16.255 2.291 382 HA2 GLY 50 2HA GLY 50 -13.784 18.459 3.933 383 HA3 GLY 50 1HA GLY 50 -15.450 18.093 3.502 384 H LYS 51 H LYS 51 -15.130 15.275 4.357 385 HA LYS 51 HA LYS 51 -15.872 15.702 7.114 386 HB2 LYS 51 2HB LYS 51 -15.694 13.252 5.363 387 HB3 LYS 51 1HB LYS 51 -16.063 13.142 7.078 388 HG2 LYS 51 2HG LYS 51 -18.162 13.145 6.172 389 HG3 LYS 51 1HG LYS 51 -17.935 14.864 6.490 390 HD2 LYS 51 2HD LYS 51 -17.312 15.238 4.165 391 HD3 LYS 51 1HD LYS 51 -17.445 13.509 3.835 392 HE2 LYS 51 2HE LYS 51 -19.427 14.650 3.051 393 HE3 LYS 51 1HE LYS 51 -19.834 13.615 4.416 394 HZ1 LYS 51 3HZ LYS 51 -20.903 15.763 4.611 395 HZ2 LYS 51 1HZ LYS 51 -19.407 16.547 4.543 396 HZ3 LYS 51 2HZ LYS 51 -19.785 15.556 5.861 397 H GLY 52 H GLY 52 -13.440 13.709 5.478 398 HA2 GLY 52 2HA GLY 52 -11.218 14.443 6.918 399 HA3 GLY 52 1HA GLY 52 -11.984 13.184 7.883 400 H GLN 53 H GLN 53 -10.274 13.927 4.975 401 HA GLN 53 HA GLN 53 -10.561 11.594 3.513 402 HB2 GLN 53 2HB GLN 53 -8.206 12.143 2.658 403 HB3 GLN 53 1HB GLN 53 -9.469 13.339 2.412 404 HG2 GLN 53 2HG GLN 53 -7.863 13.589 4.877 405 HG3 GLN 53 1HG GLN 53 -7.053 13.935 3.353 406 HE21 GLN 53 1HE2 GLN 53 -7.627 15.719 2.181 407 HE22 GLN 53 2HE2 GLN 53 -8.637 16.971 2.825 408 H LYS 54 H LYS 54 -10.444 9.661 4.404 409 HA LYS 54 HA LYS 54 -8.326 8.971 6.261 410 HB2 LYS 54 2HB LYS 54 -10.737 8.336 6.603 411 HB3 LYS 54 1HB LYS 54 -10.586 7.250 5.232 412 HG2 LYS 54 2HG LYS 54 -8.818 6.024 6.427 413 HG3 LYS 54 1HG LYS 54 -9.048 7.084 7.817 414 HD2 LYS 54 2HD LYS 54 -11.189 5.331 6.613 415 HD3 LYS 54 1HD LYS 54 -10.227 4.908 8.028 416 HE2 LYS 54 2HE LYS 54 -11.076 7.080 9.052 417 HE3 LYS 54 1HE LYS 54 -12.246 7.121 7.734 418 HZ1 LYS 54 3HZ LYS 54 -13.031 6.084 9.855 419 HZ2 LYS 54 1HZ LYS 54 -11.962 4.807 9.556 420 HZ3 LYS 54 2HZ LYS 54 -13.219 5.125 8.473 421 H ILE 55 H ILE 55 -6.436 8.573 5.261 422 HA ILE 55 HA ILE 55 -6.462 6.941 2.816 423 HB ILE 55 HB ILE 55 -4.100 8.467 3.925 424 HG12 ILE 55 2HG1 ILE 55 -5.988 9.373 1.743 425 HG13 ILE 55 1HG1 ILE 55 -6.050 9.965 3.399 426 HG21 ILE 55 1HG2 ILE 55 -3.927 6.524 2.196 427 HG22 ILE 55 2HG2 ILE 55 -3.018 8.014 1.938 428 HG23 ILE 55 3HG2 ILE 55 -4.521 7.737 1.060 429 HD11 ILE 55 3HD1 ILE 55 -4.894 11.537 1.984 430 HD12 ILE 55 1HD1 ILE 55 -3.761 10.288 1.471 431 HD13 ILE 55 2HD1 ILE 55 -3.771 10.839 3.147 432 H SER 56 H SER 56 -6.768 4.954 3.837 433 HA SER 56 HA SER 56 -4.635 4.083 5.661 434 HB2 SER 56 2HB SER 56 -7.295 2.726 5.177 435 HB3 SER 56 1HB SER 56 -6.149 2.410 6.481 436 HG SER 56 HG SER 56 -6.784 5.010 6.463 437 H VAL 57 H VAL 57 -3.038 3.229 4.508 438 HA VAL 57 HA VAL 57 -3.681 1.447 2.264 439 HB VAL 57 HB VAL 57 -0.942 2.521 2.976 440 HG11 VAL 57 1HG1 VAL 57 -1.173 0.493 1.503 441 HG12 VAL 57 2HG1 VAL 57 -0.292 1.851 0.803 442 HG13 VAL 57 3HG1 VAL 57 -1.960 1.539 0.322 443 HG21 VAL 57 3HG2 VAL 57 -1.239 4.259 1.328 444 HG22 VAL 57 1HG2 VAL 57 -2.513 4.384 2.539 445 HG23 VAL 57 2HG2 VAL 57 -2.865 3.684 0.961 446 H HIS 58 H HIS 58 -4.257 -0.355 3.535 447 HA HIS 58 HA HIS 58 -2.070 -1.510 5.124 448 HB2 HIS 58 2HB HIS 58 -5.052 -1.904 5.299 449 HB3 HIS 58 1HB HIS 58 -3.909 -2.958 6.114 450 HD1 HIS 58 HD1 HIS 58 -3.959 -2.376 8.518 451 HD2 HIS 58 HD2 HIS 58 -4.070 1.015 6.114 452 HE1 HIS 58 HE1 HIS 58 -3.904 -0.422 10.095 453 H VAL 59 H VAL 59 -0.919 -2.713 3.736 454 HA VAL 59 HA VAL 59 -2.361 -4.546 1.947 455 HB VAL 59 HB VAL 59 0.589 -4.018 1.758 456 HG11 VAL 59 1HG1 VAL 59 -1.480 -4.642 -0.342 457 HG12 VAL 59 2HG1 VAL 59 -0.450 -5.832 0.450 458 HG13 VAL 59 3HG1 VAL 59 0.269 -4.579 -0.562 459 HG21 VAL 59 3HG2 VAL 59 0.128 -2.196 0.161 460 HG22 VAL 59 1HG2 VAL 59 -0.393 -1.808 1.800 461 HG23 VAL 59 2HG2 VAL 59 -1.582 -2.279 0.586 462 H LYS 60 H LYS 60 -2.770 -6.279 3.324 463 HA LYS 60 HA LYS 60 -0.642 -7.349 4.958 464 HB2 LYS 60 2HB LYS 60 -3.445 -8.342 4.434 465 HB3 LYS 60 1HB LYS 60 -2.320 -9.083 5.563 466 HG2 LYS 60 2HG LYS 60 -2.281 -6.514 6.418 467 HG3 LYS 60 1HG LYS 60 -3.939 -6.650 5.832 468 HD2 LYS 60 2HD LYS 60 -4.292 -7.430 7.934 469 HD3 LYS 60 1HD LYS 60 -3.774 -8.947 7.198 470 HE2 LYS 60 2HE LYS 60 -1.904 -7.035 8.590 471 HE3 LYS 60 1HE LYS 60 -2.682 -8.397 9.395 472 HZ1 LYS 60 3HZ LYS 60 -0.549 -9.112 8.753 473 HZ2 LYS 60 1HZ LYS 60 -0.695 -8.475 7.192 474 HZ3 LYS 60 2HZ LYS 60 -1.611 -9.823 7.646 475 H LEU 61 H LEU 61 0.924 -7.965 3.529 476 HA LEU 61 HA LEU 61 0.296 -9.950 1.496 477 HB2 LEU 61 2HB LEU 61 2.971 -8.740 2.189 478 HB3 LEU 61 1HB LEU 61 2.571 -9.649 0.744 479 HG LEU 61 HG LEU 61 1.292 -7.002 1.423 480 HD11 LEU 61 1HD1 LEU 61 2.850 -5.953 -0.086 481 HD12 LEU 61 2HD1 LEU 61 3.630 -7.500 -0.414 482 HD13 LEU 61 3HD1 LEU 61 3.747 -6.778 1.189 483 HD21 LEU 61 3HD2 LEU 61 0.737 -7.007 -0.962 484 HD22 LEU 61 1HD2 LEU 61 0.047 -8.399 -0.130 485 HD23 LEU 61 2HD2 LEU 61 1.485 -8.596 -1.130 486 H GLY 62 H GLY 62 3.219 -9.842 3.476 487 HA2 GLY 62 2HA GLY 62 3.196 -11.527 5.403 488 HA3 GLY 62 1HA GLY 62 2.748 -12.670 4.148 489 H ASN 63 H ASN 63 4.285 -12.988 2.375 490 HA ASN 63 HA ASN 63 7.059 -12.475 3.234 491 HB2 ASN 63 2HB ASN 63 7.612 -14.666 2.113 492 HB3 ASN 63 1HB ASN 63 6.649 -14.800 3.581 493 HD21 ASN 63 1HD2 ASN 63 5.975 -16.877 2.857 494 HD22 ASN 63 2HD2 ASN 63 4.743 -17.038 1.653 495 H ARG 64 H ARG 64 4.992 -11.386 1.073 496 HA ARG 64 HA ARG 64 6.270 -11.870 -1.419 497 HB2 ARG 64 2HB ARG 64 3.882 -11.047 -1.070 498 HB3 ARG 64 1HB ARG 64 4.575 -9.457 -0.782 499 HG2 ARG 64 2HG ARG 64 5.773 -10.183 -3.132 500 HG3 ARG 64 1HG ARG 64 4.169 -10.902 -3.288 501 HD2 ARG 64 2HD ARG 64 3.135 -8.891 -3.393 502 HD3 ARG 64 1HD ARG 64 4.267 -8.129 -2.277 503 HE ARG 64 HE ARG 64 5.738 -8.573 -4.538 504 HH11 ARG 64 1HH1 ARG 64 2.700 -6.947 -3.895 505 HH12 ARG 64 2HH1 ARG 64 2.977 -5.697 -5.073 506 HH21 ARG 64 1HH2 ARG 64 6.058 -6.993 -6.153 507 HH22 ARG 64 2HH2 ARG 64 4.876 -5.742 -6.380 508 H PHE 65 H PHE 65 6.769 -9.586 1.141 509 HA PHE 65 HA PHE 65 8.336 -8.006 1.548 510 HB2 PHE 65 2HB PHE 65 9.833 -9.945 0.921 511 HB3 PHE 65 1HB PHE 65 9.923 -9.264 -0.699 512 HD1 PHE 65 HD1 PHE 65 10.634 -8.512 2.861 513 HD2 PHE 65 HD2 PHE 65 11.483 -7.617 -1.207 514 HE1 PHE 65 HE1 PHE 65 12.519 -7.099 3.571 515 HE2 PHE 65 HE2 PHE 65 13.366 -6.199 -0.510 516 HZ PHE 65 HZ PHE 65 13.887 -5.939 1.882 517 H LEU 66 H LEU 66 7.057 -6.263 0.881 518 HA LEU 66 HA LEU 66 6.956 -5.425 -1.850 519 HB2 LEU 66 2HB LEU 66 5.208 -4.950 -0.077 520 HB3 LEU 66 1HB LEU 66 6.317 -3.769 0.592 521 HG LEU 66 HG LEU 66 6.275 -2.654 -1.708 522 HD11 LEU 66 1HD1 LEU 66 5.314 -4.513 -2.961 523 HD12 LEU 66 2HD1 LEU 66 4.292 -3.082 -3.067 524 HD13 LEU 66 3HD1 LEU 66 3.840 -4.409 -1.998 525 HD21 LEU 66 3HD2 LEU 66 3.738 -2.731 -0.077 526 HD22 LEU 66 1HD2 LEU 66 4.211 -1.458 -1.201 527 HD23 LEU 66 2HD2 LEU 66 5.155 -1.736 0.263 528 H TYR 67 H TYR 67 8.023 -3.698 -2.815 529 HA TYR 67 HA TYR 67 10.643 -3.158 -1.731 530 HB2 TYR 67 2HB TYR 67 9.410 -2.075 -4.273 531 HB3 TYR 67 1HB TYR 67 11.120 -2.124 -3.861 532 HD1 TYR 67 HD1 TYR 67 12.295 -4.328 -3.773 533 HD2 TYR 67 HD2 TYR 67 8.327 -3.948 -5.257 534 HE1 TYR 67 HE1 TYR 67 12.505 -6.516 -4.877 535 HE2 TYR 67 HE2 TYR 67 8.520 -6.134 -6.360 536 HH TYR 67 HH TYR 67 10.320 -7.600 -7.220 537 H LYS 68 H LYS 68 10.092 -1.943 0.113 538 HA LYS 68 HA LYS 68 8.480 0.306 0.231 539 HB2 LYS 68 2HB LYS 68 9.368 -0.732 2.236 540 HB3 LYS 68 1HB LYS 68 11.009 -0.297 1.776 541 HG2 LYS 68 2HG LYS 68 10.397 2.094 1.964 542 HG3 LYS 68 1HG LYS 68 8.790 1.615 2.507 543 HD2 LYS 68 2HD LYS 68 9.949 2.073 4.482 544 HD3 LYS 68 1HD LYS 68 10.000 0.310 4.349 545 HE2 LYS 68 2HE LYS 68 12.188 1.204 5.012 546 HE3 LYS 68 1HE LYS 68 12.273 0.454 3.422 547 HZ1 LYS 68 3HZ LYS 68 12.924 2.346 2.516 548 HZ2 LYS 68 1HZ LYS 68 13.114 2.961 4.080 549 HZ3 LYS 68 2HZ LYS 68 11.672 3.242 3.238 550 H GLU 69 H GLU 69 11.823 0.015 -0.804 551 HA GLU 69 HA GLU 69 12.511 2.708 -0.891 552 HB2 GLU 69 2HB GLU 69 13.435 0.307 -2.436 553 HB3 GLU 69 1HB GLU 69 14.087 1.903 -2.783 554 HG2 GLU 69 2HG GLU 69 15.447 0.492 -1.216 555 HG3 GLU 69 1HG GLU 69 15.026 2.097 -0.620 556 H GLN 70 H GLN 70 10.511 0.848 -3.035 557 HA GLN 70 HA GLN 70 10.593 2.752 -5.201 558 HB2 GLN 70 2HB GLN 70 8.879 0.342 -4.625 559 HB3 GLN 70 1HB GLN 70 8.590 1.385 -6.017 560 HG2 GLN 70 2HG GLN 70 11.036 0.946 -6.626 561 HG3 GLN 70 1HG GLN 70 10.970 -0.364 -5.451 562 HE21 GLN 70 1HE2 GLN 70 8.246 -1.167 -6.017 563 HE22 GLN 70 2HE2 GLN 70 8.262 -1.898 -7.581 564 H GLU 71 H GLU 71 8.234 1.787 -2.725 565 HA GLU 71 HA GLU 71 6.301 3.732 -3.387 566 HB2 GLU 71 2HB GLU 71 6.792 2.344 -0.747 567 HB3 GLU 71 1HB GLU 71 5.339 3.242 -1.171 568 HG2 GLU 71 2HG GLU 71 6.305 0.619 -2.226 569 HG3 GLU 71 1HG GLU 71 4.750 1.021 -1.499 570 H GLU 72 H GLU 72 9.137 3.768 -1.395 571 HA GLU 72 HA GLU 72 8.708 6.008 0.179 572 HB2 GLU 72 2HB GLU 72 10.662 4.337 0.181 573 HB3 GLU 72 1HB GLU 72 11.373 5.356 -1.064 574 HG2 GLU 72 2HG GLU 72 12.356 6.148 0.853 575 HG3 GLU 72 1HG GLU 72 11.010 7.266 0.634 576 H GLN 73 H GLN 73 10.068 5.818 -3.095 577 HA GLN 73 HA GLN 73 10.683 8.546 -3.325 578 HB2 GLN 73 2HB GLN 73 11.175 8.139 -5.566 579 HB3 GLN 73 1HB GLN 73 11.455 6.584 -4.799 580 HG2 GLN 73 2HG GLN 73 9.309 5.777 -5.590 581 HG3 GLN 73 1HG GLN 73 8.958 7.354 -6.296 582 HE21 GLN 73 1HE2 GLN 73 9.063 4.809 -7.636 583 HE22 GLN 73 2HE2 GLN 73 10.290 4.940 -8.847 584 H LEU 74 H LEU 74 7.665 6.825 -3.851 585 HA LEU 74 HA LEU 74 6.495 9.192 -5.071 586 HB2 LEU 74 2HB LEU 74 4.494 7.866 -5.416 587 HB3 LEU 74 1HB LEU 74 5.908 7.061 -6.057 588 HG LEU 74 HG LEU 74 5.743 5.912 -3.594 589 HD11 LEU 74 1HD1 LEU 74 3.456 5.376 -3.113 590 HD12 LEU 74 2HD1 LEU 74 2.902 6.289 -4.516 591 HD13 LEU 74 3HD1 LEU 74 3.630 7.130 -3.148 592 HD21 LEU 74 3HD2 LEU 74 4.396 5.069 -6.157 593 HD22 LEU 74 1HD2 LEU 74 4.718 4.008 -4.785 594 HD23 LEU 74 2HD2 LEU 74 6.059 4.729 -5.673 595 H THR 75 H THR 75 6.390 7.436 -2.036 596 HA THR 75 HA THR 75 4.153 8.771 -0.949 597 HB THR 75 HB THR 75 6.491 7.565 0.547 598 HG1 THR 75 HG1 THR 75 5.509 6.014 -0.776 599 HG21 THR 75 3HG2 THR 75 3.662 8.146 1.443 600 HG22 THR 75 1HG2 THR 75 5.108 9.014 1.959 601 HG23 THR 75 2HG2 THR 75 4.894 7.320 2.397 602 H GLU 76 H GLU 76 7.536 9.585 -1.197 603 HA GLU 76 HA GLU 76 7.714 11.620 0.699 604 HB2 GLU 76 2HB GLU 76 9.191 11.042 -1.843 605 HB3 GLU 76 1HB GLU 76 9.517 12.521 -0.951 606 HG2 GLU 76 2HG GLU 76 9.811 9.702 0.062 607 HG3 GLU 76 1HG GLU 76 11.109 10.821 -0.345 608 H LEU 77 H LEU 77 6.072 11.615 -2.337 609 HA LEU 77 HA LEU 77 6.117 14.449 -2.746 610 HB2 LEU 77 2HB LEU 77 4.642 12.149 -3.949 611 HB3 LEU 77 1HB LEU 77 4.027 13.768 -4.213 612 HG LEU 77 HG LEU 77 6.385 14.335 -5.063 613 HD11 LEU 77 1HD1 LEU 77 7.441 12.275 -4.181 614 HD12 LEU 77 2HD1 LEU 77 7.704 12.515 -5.909 615 HD13 LEU 77 3HD1 LEU 77 6.512 11.339 -5.351 616 HD21 LEU 77 3HD2 LEU 77 5.837 13.544 -7.288 617 HD22 LEU 77 1HD2 LEU 77 4.392 14.142 -6.475 618 HD23 LEU 77 2HD2 LEU 77 4.669 12.405 -6.619 619 H ILE 78 H ILE 78 3.944 12.168 -1.203 620 HA ILE 78 HA ILE 78 2.007 14.258 -0.612 621 HB ILE 78 HB ILE 78 1.871 11.427 0.409 622 HG12 ILE 78 2HG1 ILE 78 0.219 11.587 -1.837 623 HG13 ILE 78 1HG1 ILE 78 1.724 12.341 -2.348 624 HG21 ILE 78 1HG2 ILE 78 0.319 13.134 1.320 625 HG22 ILE 78 2HG2 ILE 78 -0.505 11.824 0.476 626 HG23 ILE 78 3HG2 ILE 78 -0.304 13.389 -0.310 627 HD11 ILE 78 3HD1 ILE 78 2.934 10.325 -1.573 628 HD12 ILE 78 1HD1 ILE 78 1.798 10.011 -2.885 629 HD13 ILE 78 2HD1 ILE 78 1.377 9.572 -1.229 630 H ALA 79 H ALA 79 4.609 12.526 0.854 631 HA ALA 79 HA ALA 79 4.081 12.805 3.566 632 HB1 ALA 79 1HB ALA 79 5.936 11.486 2.572 633 HB2 ALA 79 2HB ALA 79 6.433 12.498 3.928 634 HB3 ALA 79 3HB ALA 79 6.796 12.997 2.277 635 H SER 80 H SER 80 5.191 15.166 1.253 636 HA SER 80 HA SER 80 6.202 17.105 3.009 637 HB2 SER 80 2HB SER 80 4.885 18.230 0.675 638 HB3 SER 80 1HB SER 80 6.603 18.179 1.077 639 HG SER 80 HG SER 80 5.241 16.676 -0.691 640 H LYS 81 H LYS 81 2.989 16.063 2.501 641 HA LYS 81 HA LYS 81 1.993 18.182 4.233 642 HB2 LYS 81 2HB LYS 81 0.044 18.598 2.717 643 HB3 LYS 81 1HB LYS 81 1.583 19.144 2.064 644 HG2 LYS 81 2HG LYS 81 1.605 16.796 0.908 645 HG3 LYS 81 1HG LYS 81 -0.133 16.855 1.199 646 HD2 LYS 81 2HD LYS 81 0.219 17.735 -0.975 647 HD3 LYS 81 1HD LYS 81 -0.127 19.114 0.072 648 HE2 LYS 81 2HE LYS 81 2.243 19.616 0.233 649 HE3 LYS 81 1HE LYS 81 2.630 18.193 -0.731 650 HZ1 LYS 81 3HZ LYS 81 2.687 20.214 -2.046 651 HZ2 LYS 81 1HZ LYS 81 1.068 20.537 -1.673 652 HZ3 LYS 81 2HZ LYS 81 1.471 19.178 -2.600 653 H LYS 82 H LYS 82 2.456 15.545 4.869 654 HA LYS 82 HA LYS 82 0.062 13.994 4.520 655 HB2 LYS 82 2HB LYS 82 1.126 12.307 5.932 656 HB3 LYS 82 1HB LYS 82 2.199 12.843 4.654 657 HG2 LYS 82 2HG LYS 82 3.448 14.198 6.232 658 HG3 LYS 82 1HG LYS 82 2.326 13.756 7.518 659 HD2 LYS 82 2HD LYS 82 2.956 11.390 7.215 660 HD3 LYS 82 1HD LYS 82 4.128 11.883 5.990 661 HE2 LYS 82 2HE LYS 82 5.391 11.641 7.970 662 HE3 LYS 82 1HE LYS 82 5.141 13.379 7.799 663 HZ1 LYS 82 3HZ LYS 82 3.667 11.536 9.602 664 HZ2 LYS 82 1HZ LYS 82 3.253 13.157 9.356 665 HZ3 LYS 82 2HZ LYS 82 4.740 12.762 10.045 666 H ASP 83 H ASP 83 -0.734 16.315 5.580 667 HA ASP 83 HA ASP 83 -1.034 16.189 8.444 668 HB2 ASP 83 2HB ASP 83 -1.020 18.323 7.090 669 HB3 ASP 83 1HB ASP 83 -2.595 17.864 6.457 670 H LEU 84 H LEU 84 -2.552 14.873 5.722 671 HA LEU 84 HA LEU 84 -5.193 14.554 6.710 672 HB2 LEU 84 2HB LEU 84 -3.850 12.756 4.700 673 HB3 LEU 84 1HB LEU 84 -5.559 13.079 4.869 674 HG LEU 84 HG LEU 84 -5.070 14.278 2.983 675 HD11 LEU 84 1HD1 LEU 84 -6.085 15.815 4.540 676 HD12 LEU 84 2HD1 LEU 84 -4.940 16.661 3.500 677 HD13 LEU 84 3HD1 LEU 84 -4.498 16.271 5.162 678 HD21 LEU 84 3HD2 LEU 84 -2.605 13.773 3.213 679 HD22 LEU 84 1HD2 LEU 84 -2.474 15.301 4.079 680 HD23 LEU 84 2HD2 LEU 84 -3.036 15.281 2.406 681 H PHE 85 H PHE 85 -6.084 12.182 6.857 682 HA PHE 85 HA PHE 85 -4.591 10.929 9.001 683 HB2 PHE 85 2HB PHE 85 -7.250 10.044 7.865 684 HB3 PHE 85 1HB PHE 85 -6.574 9.658 9.444 685 HD1 PHE 85 HD1 PHE 85 -5.957 11.854 10.857 686 HD2 PHE 85 HD2 PHE 85 -8.909 11.608 7.807 687 HE1 PHE 85 HE1 PHE 85 -7.106 13.808 11.815 688 HE2 PHE 85 HE2 PHE 85 -10.066 13.558 8.761 689 HZ PHE 85 HZ PHE 85 -9.165 14.664 10.768 690 H VAL 86 H VAL 86 -2.864 10.413 7.418 691 HA VAL 86 HA VAL 86 -3.487 8.113 5.729 692 HB VAL 86 HB VAL 86 -2.277 9.915 4.619 693 HG11 VAL 86 1HG1 VAL 86 -1.068 10.971 6.347 694 HG12 VAL 86 2HG1 VAL 86 0.139 10.295 5.254 695 HG13 VAL 86 3HG1 VAL 86 -0.230 9.480 6.772 696 HG21 VAL 86 3HG2 VAL 86 -0.565 7.466 5.021 697 HG22 VAL 86 1HG2 VAL 86 -0.424 8.612 3.688 698 HG23 VAL 86 2HG2 VAL 86 -1.883 7.637 3.862 699 H HIS 87 H HIS 87 -2.795 6.126 6.149 700 HA HIS 87 HA HIS 87 -0.648 5.673 8.061 701 HB2 HIS 87 2HB HIS 87 -3.474 5.274 8.672 702 HB3 HIS 87 1HB HIS 87 -2.542 3.790 8.842 703 HD1 HIS 87 HD1 HIS 87 -0.629 3.788 10.637 704 HD2 HIS 87 HD2 HIS 87 -3.013 7.197 10.618 705 HE1 HIS 87 HE1 HIS 87 -0.145 4.969 12.804 706 H SER 88 H SER 88 0.606 4.682 6.574 707 HA SER 88 HA SER 88 -0.541 2.482 5.029 708 HB2 SER 88 2HB SER 88 2.217 3.633 4.663 709 HB3 SER 88 1HB SER 88 1.226 2.768 3.488 710 HG SER 88 HG SER 88 1.228 5.017 3.082 711 H ILE 89 H ILE 89 0.072 0.410 5.337 712 HA ILE 89 HA ILE 89 2.508 -0.290 6.673 713 HB ILE 89 HB ILE 89 1.253 0.211 8.672 714 HG12 ILE 89 2HG1 ILE 89 1.318 -2.778 8.228 715 HG13 ILE 89 1HG1 ILE 89 2.688 -1.785 8.704 716 HG21 ILE 89 1HG2 ILE 89 -0.882 -1.627 7.605 717 HG22 ILE 89 2HG2 ILE 89 -1.001 0.122 7.791 718 HG23 ILE 89 3HG2 ILE 89 -0.864 -0.909 9.215 719 HD11 ILE 89 3HD1 ILE 89 1.748 -2.978 10.598 720 HD12 ILE 89 1HD1 ILE 89 0.186 -2.209 10.315 721 HD13 ILE 89 2HD1 ILE 89 1.575 -1.232 10.794 722 H ASP 90 H ASP 90 3.195 -2.089 5.753 723 HA ASP 90 HA ASP 90 1.210 -3.901 4.554 724 HB2 ASP 90 2HB ASP 90 2.726 -4.389 2.807 725 HB3 ASP 90 1HB ASP 90 2.836 -2.644 3.017 726 H SER 91 H SER 91 2.347 -6.168 4.225 727 HA SER 91 HA SER 91 3.503 -6.880 6.836 728 HB2 SER 91 2HB SER 91 1.971 -8.739 5.009 729 HB3 SER 91 1HB SER 91 2.420 -9.009 6.692 730 HG SER 91 HG SER 91 1.077 -6.838 6.821 731 H GLU 92 H GLU 92 5.655 -6.844 6.441 732 HA GLU 92 HA GLU 92 6.651 -8.713 4.403 733 HB2 GLU 92 2HB GLU 92 8.685 -7.098 4.312 734 HB3 GLU 92 1HB GLU 92 7.232 -6.683 3.416 735 HG2 GLU 92 2HG GLU 92 8.126 -4.735 4.511 736 HG3 GLU 92 1HG GLU 92 6.567 -5.157 5.208 737 H VAL 93 H VAL 93 9.281 -8.680 4.951 738 HA VAL 93 HA VAL 93 9.517 -9.303 7.805 739 HB VAL 93 HB VAL 93 9.306 -11.456 6.815 740 HG11 VAL 93 1HG1 VAL 93 11.332 -10.603 4.753 741 HG12 VAL 93 2HG1 VAL 93 9.608 -10.852 4.485 742 HG13 VAL 93 3HG1 VAL 93 10.643 -12.217 4.906 743 HG21 VAL 93 3HG2 VAL 93 12.229 -10.834 7.206 744 HG22 VAL 93 1HG2 VAL 93 11.543 -12.457 7.154 745 HG23 VAL 93 2HG2 VAL 93 11.079 -11.345 8.442 746 H ILE 94 H ILE 94 11.123 -8.179 8.693 747 HA ILE 94 HA ILE 94 12.826 -6.546 7.129 748 HB ILE 94 HB ILE 94 14.053 -6.249 9.401 749 HG12 ILE 94 2HG1 ILE 94 11.464 -7.519 10.326 750 HG13 ILE 94 1HG1 ILE 94 13.063 -8.242 10.479 751 HG21 ILE 94 1HG2 ILE 94 12.655 -4.571 8.359 752 HG22 ILE 94 2HG2 ILE 94 12.352 -4.623 10.098 753 HG23 ILE 94 3HG2 ILE 94 11.208 -5.364 8.981 754 HD11 ILE 94 3HD1 ILE 94 13.715 -6.267 11.870 755 HD12 ILE 94 1HD1 ILE 94 12.489 -7.317 12.579 756 HD13 ILE 94 2HD1 ILE 94 12.021 -5.784 11.848 757 H THR 95 H THR 95 14.233 -7.484 5.844 758 HA THR 95 HA THR 95 16.522 -8.766 6.997 759 HB THR 95 HB THR 95 15.101 -10.727 6.749 760 HG1 THR 95 HG1 THR 95 16.862 -11.699 6.155 761 HG21 THR 95 3HG2 THR 95 14.276 -11.468 4.571 762 HG22 THR 95 1HG2 THR 95 14.886 -9.989 3.828 763 HG23 THR 95 2HG2 THR 95 13.583 -9.908 5.014 764 H LYS 96 H LYS 96 18.277 -8.188 5.897 765 HA LYS 96 HA LYS 96 18.381 -7.860 3.090 766 HB2 LYS 96 2HB LYS 96 18.994 -5.371 3.202 767 HB3 LYS 96 1HB LYS 96 17.289 -5.785 3.292 768 HG2 LYS 96 2HG LYS 96 17.510 -5.607 5.805 769 HG3 LYS 96 1HG LYS 96 19.099 -4.894 5.520 770 HD2 LYS 96 2HD LYS 96 18.121 -3.093 4.259 771 HD3 LYS 96 1HD LYS 96 16.528 -3.845 4.343 772 HE2 LYS 96 2HE LYS 96 16.636 -3.617 6.825 773 HE3 LYS 96 1HE LYS 96 18.127 -2.698 6.628 774 HZ1 LYS 96 3HZ LYS 96 16.269 -1.207 6.848 775 HZ2 LYS 96 1HZ LYS 96 15.450 -1.954 5.567 776 HZ3 LYS 96 2HZ LYS 96 16.880 -1.094 5.276 777 H LYS 97 H LYS 97 20.571 -6.653 2.552 778 HA LYS 97 HA LYS 97 22.549 -7.247 4.618 779 HB2 LYS 97 2HB LYS 97 23.994 -8.352 2.884 780 HB3 LYS 97 1HB LYS 97 22.564 -9.262 3.350 781 HG2 LYS 97 2HG LYS 97 21.437 -8.641 1.316 782 HG3 LYS 97 1HG LYS 97 22.748 -7.544 0.875 783 HD2 LYS 97 2HD LYS 97 23.157 -9.450 -0.405 784 HD3 LYS 97 1HD LYS 97 24.249 -9.629 0.969 785 HE2 LYS 97 2HE LYS 97 22.422 -11.029 2.047 786 HE3 LYS 97 1HE LYS 97 21.631 -11.032 0.473 787 HZ1 LYS 97 3HZ LYS 97 24.237 -11.736 -0.022 788 HZ2 LYS 97 1HZ LYS 97 22.894 -12.764 -0.013 789 HZ3 LYS 97 2HZ LYS 97 23.832 -12.583 1.384 790 H GLU 98 H GLU 98 24.782 -6.516 3.802 791 HA GLU 98 HA GLU 98 24.522 -3.740 3.062 792 HB2 GLU 98 2HB GLU 98 27.178 -5.055 3.379 793 HB3 GLU 98 1HB GLU 98 26.647 -3.470 3.915 794 HG2 GLU 98 2HG GLU 98 26.768 -4.485 5.928 795 HG3 GLU 98 1HG GLU 98 25.121 -4.954 5.507 796 H ALA 99 H ALA 99 23.862 -5.600 0.966 797 HA ALA 99 HA ALA 99 26.098 -5.554 -0.887 798 HB1 ALA 99 1HB ALA 99 23.285 -6.587 -1.241 799 HB2 ALA 99 2HB ALA 99 24.698 -7.548 -0.802 800 HB3 ALA 99 3HB ALA 99 24.608 -6.788 -2.390 801 H GLN 100 H GLN 100 25.569 -3.029 -0.272 802 HA GLN 100 HA GLN 100 23.659 -1.861 -2.096 803 HB2 GLN 100 2HB GLN 100 23.986 -0.800 0.065 804 HB3 GLN 100 1HB GLN 100 25.705 -0.602 -0.257 805 HG2 GLN 100 2HG GLN 100 24.919 1.514 -0.731 806 HG3 GLN 100 1HG GLN 100 24.868 0.767 -2.328 807 HE21 GLN 100 1HE2 GLN 100 22.831 0.067 -3.142 808 HE22 GLN 100 2HE2 GLN 100 21.368 0.787 -2.575 809 H GLN 101 H GLN 101 24.069 -1.458 -4.142 810 HA GLN 101 HA GLN 101 26.642 -1.774 -5.298 811 HB2 GLN 101 2HB GLN 101 24.212 -2.020 -6.317 812 HB3 GLN 101 1HB GLN 101 24.447 -0.321 -6.721 813 HG2 GLN 101 2HG GLN 101 25.191 -1.408 -8.634 814 HG3 GLN 101 1HG GLN 101 26.691 -1.128 -7.747 815 HE21 GLN 101 1HE2 GLN 101 27.803 -2.814 -8.640 816 HE22 GLN 101 2HE2 GLN 101 27.416 -4.472 -8.334 817 H ILE 102 H ILE 102 28.006 -0.305 -4.270 818 HA ILE 102 HA ILE 102 27.921 2.365 -5.380 819 HB ILE 102 HB ILE 102 26.679 2.657 -3.294 820 HG12 ILE 102 2HG1 ILE 102 28.208 4.336 -2.175 821 HG13 ILE 102 1HG1 ILE 102 29.473 3.802 -3.275 822 HG21 ILE 102 1HG2 ILE 102 27.533 0.774 -2.032 823 HG22 ILE 102 2HG2 ILE 102 27.741 2.268 -1.116 824 HG23 ILE 102 3HG2 ILE 102 29.121 1.535 -1.933 825 HD11 ILE 102 3HD1 ILE 102 26.846 5.011 -4.101 826 HD12 ILE 102 1HD1 ILE 102 28.161 4.532 -5.173 827 HD13 ILE 102 2HD1 ILE 102 28.393 5.854 -4.031 828 H ARG 103 H ARG 103 29.921 3.207 -5.691 829 HA ARG 103 HA ARG 103 32.223 2.174 -4.312 830 HB2 ARG 103 2HB ARG 103 31.658 0.537 -6.214 831 HB3 ARG 103 1HB ARG 103 32.173 1.819 -7.303 832 HG2 ARG 103 2HG ARG 103 33.966 0.181 -6.864 833 HG3 ARG 103 1HG ARG 103 34.396 1.807 -6.329 834 HD2 ARG 103 2HD ARG 103 34.935 -0.164 -4.780 835 HD3 ARG 103 1HD ARG 103 34.178 1.258 -4.075 836 HE ARG 103 HE ARG 103 32.024 -0.098 -4.398 837 HH11 ARG 103 1HH1 ARG 103 35.158 -1.483 -3.659 838 HH12 ARG 103 2HH1 ARG 103 34.495 -2.849 -2.825 839 HH21 ARG 103 1HH2 ARG 103 31.153 -1.886 -3.282 840 HH22 ARG 103 2HH2 ARG 103 32.209 -3.088 -2.615 841 H GLU 104 H GLU 104 32.635 4.264 -3.718 842 HA GLU 104 HA GLU 104 32.799 6.336 -5.742 843 HB2 GLU 104 2HB GLU 104 33.226 6.433 -2.752 844 HB3 GLU 104 1HB GLU 104 33.265 7.831 -3.819 845 HG2 GLU 104 2HG GLU 104 30.938 7.380 -4.461 846 HG3 GLU 104 1HG GLU 104 30.908 6.025 -3.336 847 H GLU 105 H GLU 105 34.528 4.974 -6.741 848 HA GLU 105 HA GLU 105 37.161 5.709 -5.644 849 HB2 GLU 105 2HB GLU 105 36.385 3.299 -7.297 850 HB3 GLU 105 1HB GLU 105 38.042 3.740 -6.911 851 HG2 GLU 105 2HG GLU 105 37.495 3.514 -4.512 852 HG3 GLU 105 1HG GLU 105 35.885 2.959 -4.968 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -23.886 -23.058 -13.052 2 HA2 GLY 1 1HA GLY 1 -22.909 -22.184 -10.393 3 HA3 GLY 1 2HA GLY 1 -22.030 -21.986 -11.901 4 H SER 2 H SER 2 -21.988 -19.767 -11.786 5 HA SER 2 HA SER 2 -22.689 -17.620 -12.030 6 HB2 SER 2 2HB SER 2 -25.043 -18.758 -13.531 7 HB3 SER 2 1HB SER 2 -24.231 -17.216 -13.789 8 HG SER 2 HG SER 2 -23.753 -19.380 -15.079 9 H HIS 3 H HIS 3 -23.316 -18.352 -9.566 10 HA HIS 3 HA HIS 3 -25.960 -17.142 -9.146 11 HB2 HIS 3 2HB HIS 3 -24.997 -19.781 -8.160 12 HB3 HIS 3 1HB HIS 3 -25.933 -18.797 -7.039 13 HD1 HIS 3 HD1 HIS 3 -26.236 -20.609 -10.334 14 HD2 HIS 3 HD2 HIS 3 -28.649 -18.621 -7.588 15 HE1 HIS 3 HE1 HIS 3 -28.603 -21.084 -11.038 16 H MET 4 H MET 4 -26.127 -16.801 -6.567 17 HA MET 4 HA MET 4 -24.371 -14.720 -5.990 18 HB2 MET 4 2HB MET 4 -25.377 -14.634 -3.811 19 HB3 MET 4 1HB MET 4 -26.628 -14.999 -4.988 20 HG2 MET 4 2HG MET 4 -26.545 -17.351 -4.358 21 HG3 MET 4 1HG MET 4 -25.273 -16.998 -3.191 22 HE1 MET 4 3HE MET 4 -25.604 -15.824 -0.928 23 HE2 MET 4 1HE MET 4 -27.066 -14.962 -0.452 24 HE3 MET 4 2HE MET 4 -26.083 -14.359 -1.786 25 H LYS 5 H LYS 5 -22.635 -14.490 -4.637 26 HA LYS 5 HA LYS 5 -21.151 -16.959 -4.118 27 HB2 LYS 5 2HB LYS 5 -19.175 -15.540 -3.990 28 HB3 LYS 5 1HB LYS 5 -20.047 -15.237 -5.485 29 HG2 LYS 5 2HG LYS 5 -21.126 -13.385 -3.772 30 HG3 LYS 5 1HG LYS 5 -19.436 -13.443 -3.274 31 HD2 LYS 5 2HD LYS 5 -20.421 -13.003 -6.092 32 HD3 LYS 5 1HD LYS 5 -19.835 -11.745 -5.003 33 HE2 LYS 5 2HE LYS 5 -17.677 -13.077 -4.868 34 HE3 LYS 5 1HE LYS 5 -18.288 -14.011 -6.233 35 HZ1 LYS 5 3HZ LYS 5 -18.507 -11.879 -7.443 36 HZ2 LYS 5 1HZ LYS 5 -16.912 -12.283 -7.066 37 HZ3 LYS 5 2HZ LYS 5 -17.719 -11.106 -6.166 38 H THR 6 H THR 6 -19.769 -16.944 -2.119 39 HA THR 6 HA THR 6 -21.389 -16.016 0.139 40 HB THR 6 HB THR 6 -19.262 -17.709 0.991 41 HG1 THR 6 HG1 THR 6 -20.815 -19.017 -0.976 42 HG21 THR 6 3HG2 THR 6 -21.112 -19.183 1.650 43 HG22 THR 6 1HG2 THR 6 -22.225 -18.223 0.670 44 HG23 THR 6 2HG2 THR 6 -21.441 -17.505 2.078 45 H LYS 7 H LYS 7 -19.878 -15.747 2.188 46 HA LYS 7 HA LYS 7 -18.263 -13.438 1.690 47 HB2 LYS 7 2HB LYS 7 -18.068 -13.263 4.076 48 HB3 LYS 7 1HB LYS 7 -19.722 -13.725 3.707 49 HG2 LYS 7 2HG LYS 7 -19.193 -16.056 4.265 50 HG3 LYS 7 1HG LYS 7 -17.536 -15.578 4.650 51 HD2 LYS 7 2HD LYS 7 -18.588 -13.939 6.309 52 HD3 LYS 7 1HD LYS 7 -20.081 -14.856 6.079 53 HE2 LYS 7 2HE LYS 7 -18.879 -16.910 6.757 54 HE3 LYS 7 1HE LYS 7 -17.437 -15.939 7.056 55 HZ1 LYS 7 3HZ LYS 7 -18.387 -16.108 9.128 56 HZ2 LYS 7 1HZ LYS 7 -19.973 -15.988 8.549 57 HZ3 LYS 7 2HZ LYS 7 -18.984 -14.620 8.600 58 H LYS 8 H LYS 8 -16.074 -13.262 2.798 59 HA LYS 8 HA LYS 8 -14.507 -15.676 2.934 60 HB2 LYS 8 2HB LYS 8 -12.926 -15.079 1.181 61 HB3 LYS 8 1HB LYS 8 -14.535 -15.268 0.507 62 HG2 LYS 8 2HG LYS 8 -13.522 -12.551 1.271 63 HG3 LYS 8 1HG LYS 8 -13.069 -13.277 -0.275 64 HD2 LYS 8 2HD LYS 8 -15.947 -13.129 0.565 65 HD3 LYS 8 1HD LYS 8 -15.148 -11.734 -0.163 66 HE2 LYS 8 2HE LYS 8 -14.705 -12.930 -2.167 67 HE3 LYS 8 1HE LYS 8 -15.160 -14.465 -1.434 68 HZ1 LYS 8 3HZ LYS 8 -16.875 -13.566 -2.907 69 HZ2 LYS 8 1HZ LYS 8 -17.020 -12.203 -1.917 70 HZ3 LYS 8 2HZ LYS 8 -17.434 -13.731 -1.316 71 H GLN 9 H GLN 9 -12.281 -15.232 3.626 72 HA GLN 9 HA GLN 9 -12.235 -12.877 5.345 73 HB2 GLN 9 2HB GLN 9 -10.992 -15.545 5.385 74 HB3 GLN 9 1HB GLN 9 -9.948 -14.241 5.935 75 HG2 GLN 9 2HG GLN 9 -11.064 -15.197 7.824 76 HG3 GLN 9 1HG GLN 9 -11.693 -13.573 7.549 77 HE21 GLN 9 1HE2 GLN 9 -13.803 -13.312 6.833 78 HE22 GLN 9 2HE2 GLN 9 -14.958 -14.594 6.884 79 H GLN 10 H GLN 10 -10.220 -14.460 2.890 80 HA GLN 10 HA GLN 10 -8.598 -12.033 2.760 81 HB2 GLN 10 2HB GLN 10 -8.111 -14.709 1.439 82 HB3 GLN 10 1HB GLN 10 -6.994 -13.353 1.485 83 HG2 GLN 10 2HG GLN 10 -7.155 -13.592 4.042 84 HG3 GLN 10 1HG GLN 10 -7.816 -15.188 3.694 85 HE21 GLN 10 1HE2 GLN 10 -5.024 -13.145 3.565 86 HE22 GLN 10 2HE2 GLN 10 -3.876 -14.400 3.221 87 H TYR 11 H TYR 11 -9.114 -10.567 1.280 88 HA TYR 11 HA TYR 11 -9.895 -11.370 -1.389 89 HB2 TYR 11 2HB TYR 11 -11.944 -9.998 -1.400 90 HB3 TYR 11 1HB TYR 11 -12.058 -11.325 -0.253 91 HD1 TYR 11 HD2 TYR 11 -11.511 -10.752 2.229 92 HD2 TYR 11 HD1 TYR 11 -12.445 -7.832 -0.721 93 HE1 TYR 11 HE2 TYR 11 -12.106 -9.157 4.002 94 HE2 TYR 11 HE1 TYR 11 -13.045 -6.234 1.044 95 HH TYR 11 HH TYR 11 -13.857 -6.436 3.522 96 H VAL 12 H VAL 12 -10.653 -9.015 -2.459 97 HA VAL 12 HA VAL 12 -8.514 -7.118 -1.784 98 HB VAL 12 HB VAL 12 -7.554 -8.009 -3.690 99 HG11 VAL 12 1HG1 VAL 12 -10.303 -8.373 -4.876 100 HG12 VAL 12 2HG1 VAL 12 -9.294 -9.635 -4.166 101 HG13 VAL 12 3HG1 VAL 12 -8.782 -8.826 -5.647 102 HG21 VAL 12 3HG2 VAL 12 -7.763 -6.479 -5.489 103 HG22 VAL 12 1HG2 VAL 12 -8.081 -5.562 -4.019 104 HG23 VAL 12 2HG2 VAL 12 -9.419 -6.074 -5.045 105 H THR 13 H THR 13 -9.200 -5.060 -1.567 106 HA THR 13 HA THR 13 -11.488 -4.092 -3.053 107 HB THR 13 HB THR 13 -12.553 -5.042 -1.063 108 HG1 THR 13 HG1 THR 13 -13.349 -2.829 -0.261 109 HG21 THR 13 3HG2 THR 13 -10.772 -3.156 0.479 110 HG22 THR 13 1HG2 THR 13 -10.740 -4.916 0.539 111 HG23 THR 13 2HG2 THR 13 -12.134 -4.038 1.162 112 H ILE 14 H ILE 14 -11.429 -1.913 -3.391 113 HA ILE 14 HA ILE 14 -9.424 -0.308 -1.978 114 HB ILE 14 HB ILE 14 -9.664 -0.405 -5.000 115 HG12 ILE 14 2HG1 ILE 14 -7.303 -1.191 -3.285 116 HG13 ILE 14 1HG1 ILE 14 -8.478 -2.348 -3.904 117 HG21 ILE 14 1HG2 ILE 14 -9.139 1.819 -4.430 118 HG22 ILE 14 2HG2 ILE 14 -7.595 1.070 -4.838 119 HG23 ILE 14 3HG2 ILE 14 -8.037 1.314 -3.150 120 HD11 ILE 14 3HD1 ILE 14 -6.748 -0.551 -5.587 121 HD12 ILE 14 1HD1 ILE 14 -7.863 -1.782 -6.172 122 HD13 ILE 14 2HD1 ILE 14 -6.438 -2.253 -5.251 123 H LYS 15 H LYS 15 -10.396 1.497 -1.253 124 HA LYS 15 HA LYS 15 -12.613 2.614 -2.830 125 HB2 LYS 15 2HB LYS 15 -13.335 1.441 -0.719 126 HB3 LYS 15 1HB LYS 15 -12.426 2.648 0.182 127 HG2 LYS 15 2HG LYS 15 -14.428 3.655 -1.766 128 HG3 LYS 15 1HG LYS 15 -15.046 2.888 -0.301 129 HD2 LYS 15 2HD LYS 15 -12.928 5.013 -0.164 130 HD3 LYS 15 1HD LYS 15 -14.636 5.438 -0.298 131 HE2 LYS 15 2HE LYS 15 -13.575 3.595 1.844 132 HE3 LYS 15 1HE LYS 15 -13.701 5.341 2.060 133 HZ1 LYS 15 3HZ LYS 15 -16.090 5.143 1.573 134 HZ2 LYS 15 1HZ LYS 15 -15.632 4.286 2.953 135 HZ3 LYS 15 2HZ LYS 15 -15.928 3.460 1.512 136 H GLY 16 H GLY 16 -11.908 4.429 -3.696 137 HA2 GLY 16 2HA GLY 16 -10.809 6.502 -1.959 138 HA3 GLY 16 1HA GLY 16 -9.813 6.001 -3.323 139 H THR 17 H THR 17 -13.299 6.438 -2.962 140 HA THR 17 HA THR 17 -13.272 8.090 -5.377 141 HB THR 17 HB THR 17 -15.798 7.605 -5.270 142 HG1 THR 17 HG1 THR 17 -16.338 5.767 -4.043 143 HG21 THR 17 3HG2 THR 17 -15.522 5.521 -6.437 144 HG22 THR 17 1HG2 THR 17 -13.951 5.254 -5.682 145 HG23 THR 17 2HG2 THR 17 -14.160 6.563 -6.845 146 H LYS 18 H LYS 18 -15.442 7.921 -2.558 147 HA LYS 18 HA LYS 18 -15.621 10.842 -2.599 148 HB2 LYS 18 2HB LYS 18 -17.485 8.730 -2.133 149 HB3 LYS 18 1HB LYS 18 -17.391 9.716 -0.681 150 HG2 LYS 18 2HG LYS 18 -17.974 10.732 -3.457 151 HG3 LYS 18 1HG LYS 18 -19.160 10.487 -2.173 152 HD2 LYS 18 2HD LYS 18 -16.790 12.333 -1.927 153 HD3 LYS 18 1HD LYS 18 -18.382 12.857 -2.472 154 HE2 LYS 18 2HE LYS 18 -19.368 12.242 -0.374 155 HE3 LYS 18 1HE LYS 18 -17.862 11.505 0.166 156 HZ1 LYS 18 3HZ LYS 18 -16.847 13.567 0.412 157 HZ2 LYS 18 1HZ LYS 18 -18.414 13.830 0.996 158 HZ3 LYS 18 2HZ LYS 18 -17.992 14.363 -0.549 159 H ASN 19 H ASN 19 -13.324 9.407 -1.486 160 HA ASN 19 HA ASN 19 -13.204 10.791 1.046 161 HB2 ASN 19 2HB ASN 19 -14.127 8.315 1.317 162 HB3 ASN 19 1HB ASN 19 -12.423 7.899 1.175 163 HD21 ASN 19 1HD2 ASN 19 -14.855 9.411 3.117 164 HD22 ASN 19 2HD2 ASN 19 -13.895 9.601 4.545 165 H GLY 20 H GLY 20 -10.824 9.218 1.836 166 HA2 GLY 20 2HA GLY 20 -8.965 10.533 0.037 167 HA3 GLY 20 1HA GLY 20 -8.565 9.748 1.558 168 H LEU 21 H LEU 21 -8.000 7.617 1.586 169 HA LEU 21 HA LEU 21 -8.237 5.998 -0.799 170 HB2 LEU 21 2HB LEU 21 -6.162 7.356 -1.119 171 HB3 LEU 21 1HB LEU 21 -5.522 6.648 0.348 172 HG LEU 21 HG LEU 21 -5.782 4.392 -0.787 173 HD11 LEU 21 1HD1 LEU 21 -5.803 4.418 -3.233 174 HD12 LEU 21 2HD1 LEU 21 -6.076 6.158 -3.209 175 HD13 LEU 21 3HD1 LEU 21 -7.300 5.065 -2.563 176 HD21 LEU 21 3HD2 LEU 21 -3.633 5.457 -0.453 177 HD22 LEU 21 1HD2 LEU 21 -3.860 6.418 -1.914 178 HD23 LEU 21 2HD2 LEU 21 -3.685 4.668 -2.030 179 H THR 22 H THR 22 -9.334 4.452 0.302 180 HA THR 22 HA THR 22 -7.923 3.210 2.577 181 HB THR 22 HB THR 22 -10.880 2.896 2.166 182 HG1 THR 22 HG1 THR 22 -9.597 5.223 2.712 183 HG21 THR 22 3HG2 THR 22 -9.707 1.488 3.814 184 HG22 THR 22 1HG2 THR 22 -10.860 2.578 4.586 185 HG23 THR 22 2HG2 THR 22 -9.136 2.941 4.632 186 H LEU 23 H LEU 23 -7.019 1.338 1.939 187 HA LEU 23 HA LEU 23 -8.616 -0.443 0.262 188 HB2 LEU 23 2HB LEU 23 -6.597 -1.021 -1.076 189 HB3 LEU 23 1HB LEU 23 -7.206 0.598 -1.353 190 HG LEU 23 HG LEU 23 -4.962 0.205 0.588 191 HD11 LEU 23 1HD1 LEU 23 -4.734 0.209 -2.413 192 HD12 LEU 23 2HD1 LEU 23 -4.208 -1.056 -1.305 193 HD13 LEU 23 3HD1 LEU 23 -3.388 0.505 -1.317 194 HD21 LEU 23 3HD2 LEU 23 -4.314 2.416 -0.396 195 HD22 LEU 23 1HD2 LEU 23 -5.860 2.415 0.451 196 HD23 LEU 23 2HD2 LEU 23 -5.820 2.381 -1.311 197 H HIS 24 H HIS 24 -8.120 -2.625 0.426 198 HA HIS 24 HA HIS 24 -6.209 -3.429 2.484 199 HB2 HIS 24 2HB HIS 24 -8.152 -3.288 3.830 200 HB3 HIS 24 1HB HIS 24 -9.178 -3.958 2.570 201 HD1 HIS 24 HD1 HIS 24 -10.072 -6.024 3.658 202 HD2 HIS 24 HD2 HIS 24 -5.945 -5.705 4.084 203 HE1 HIS 24 HE1 HIS 24 -9.324 -8.199 4.673 204 H LEU 25 H LEU 25 -4.927 -4.725 1.345 205 HA LEU 25 HA LEU 25 -6.163 -6.659 -0.495 206 HB2 LEU 25 2HB LEU 25 -3.897 -4.969 -0.765 207 HB3 LEU 25 1HB LEU 25 -3.299 -6.614 -0.665 208 HG LEU 25 HG LEU 25 -3.621 -5.929 -2.989 209 HD11 LEU 25 1HD1 LEU 25 -4.987 -7.800 -3.743 210 HD12 LEU 25 2HD1 LEU 25 -5.640 -7.996 -2.116 211 HD13 LEU 25 3HD1 LEU 25 -3.927 -8.286 -2.423 212 HD21 LEU 25 3HD2 LEU 25 -5.534 -4.356 -2.386 213 HD22 LEU 25 1HD2 LEU 25 -6.572 -5.779 -2.454 214 HD23 LEU 25 2HD2 LEU 25 -5.683 -5.267 -3.889 215 H ASP 26 H ASP 26 -6.105 -8.763 0.058 216 HA ASP 26 HA ASP 26 -4.276 -9.525 2.234 217 HB2 ASP 26 2HB ASP 26 -6.981 -9.314 2.532 218 HB3 ASP 26 1HB ASP 26 -6.804 -11.010 2.094 219 H ASP 27 H ASP 27 -2.806 -10.785 1.269 220 HA ASP 27 HA ASP 27 -3.596 -13.282 0.121 221 HB2 ASP 27 2HB ASP 27 -3.734 -11.422 -1.742 222 HB3 ASP 27 1HB ASP 27 -1.983 -11.590 -1.757 223 H ALA 28 H ALA 28 -1.136 -13.791 -1.256 224 HA ALA 28 HA ALA 28 0.998 -13.146 0.592 225 HB1 ALA 28 1HB ALA 28 -0.125 -15.041 1.695 226 HB2 ALA 28 2HB ALA 28 1.520 -15.429 1.196 227 HB3 ALA 28 3HB ALA 28 0.151 -16.019 0.253 228 H CYS 29 H CYS 29 2.880 -13.039 -0.455 229 HA CYS 29 HA CYS 29 4.484 -13.213 -2.046 230 HB2 CYS 29 2HB CYS 29 3.045 -15.628 -3.137 231 HB3 CYS 29 1HB CYS 29 4.759 -15.242 -3.247 232 HG CYS 29 HG CYS 29 4.450 -15.324 -0.138 233 H SER 30 H SER 30 1.675 -12.030 -2.580 234 HA SER 30 HA SER 30 1.722 -12.056 -5.502 235 HB2 SER 30 2HB SER 30 -0.333 -11.133 -3.492 236 HB3 SER 30 1HB SER 30 -0.451 -10.732 -5.204 237 HG SER 30 HG SER 30 -1.074 -13.049 -3.939 238 H PHE 31 H PHE 31 2.005 -10.212 -6.711 239 HA PHE 31 HA PHE 31 3.493 -8.099 -5.405 240 HB2 PHE 31 2HB PHE 31 2.840 -8.479 -8.340 241 HB3 PHE 31 1HB PHE 31 3.985 -7.320 -7.680 242 HD1 PHE 31 HD2 PHE 31 6.099 -8.104 -6.678 243 HD2 PHE 31 HD1 PHE 31 3.415 -10.763 -8.639 244 HE1 PHE 31 HE2 PHE 31 7.889 -9.784 -6.844 245 HE2 PHE 31 HE1 PHE 31 5.197 -12.449 -8.807 246 HZ PHE 31 HZ PHE 31 7.441 -11.956 -7.906 247 H ASP 32 H ASP 32 2.971 -5.905 -5.509 248 HA ASP 32 HA ASP 32 0.167 -5.323 -5.307 249 HB2 ASP 32 2HB ASP 32 2.573 -3.488 -5.205 250 HB3 ASP 32 1HB ASP 32 0.930 -3.035 -4.767 251 H GLU 33 H GLU 33 1.314 -6.067 -7.977 252 HA GLU 33 HA GLU 33 1.447 -3.847 -9.675 253 HB2 GLU 33 2HB GLU 33 1.018 -5.437 -11.518 254 HB3 GLU 33 1HB GLU 33 2.253 -6.006 -10.406 255 HG2 GLU 33 2HG GLU 33 0.592 -7.483 -9.350 256 HG3 GLU 33 1HG GLU 33 -0.613 -6.921 -10.503 257 H LEU 34 H LEU 34 -1.348 -5.700 -8.571 258 HA LEU 34 HA LEU 34 -3.105 -4.047 -10.226 259 HB2 LEU 34 2HB LEU 34 -3.589 -6.512 -8.567 260 HB3 LEU 34 1HB LEU 34 -4.893 -5.592 -9.290 261 HG LEU 34 HG LEU 34 -2.662 -6.926 -10.830 262 HD11 LEU 34 1HD1 LEU 34 -4.102 -8.578 -9.810 263 HD12 LEU 34 2HD1 LEU 34 -4.401 -8.503 -11.545 264 HD13 LEU 34 3HD1 LEU 34 -5.531 -7.747 -10.421 265 HD21 LEU 34 3HD2 LEU 34 -3.465 -5.031 -12.046 266 HD22 LEU 34 1HD2 LEU 34 -5.144 -5.453 -11.703 267 HD23 LEU 34 2HD2 LEU 34 -4.177 -6.473 -12.769 268 H LEU 35 H LEU 35 -1.618 -3.481 -7.512 269 HA LEU 35 HA LEU 35 -3.961 -2.351 -6.133 270 HB2 LEU 35 2HB LEU 35 -2.854 -3.956 -4.732 271 HB3 LEU 35 1HB LEU 35 -1.286 -3.250 -5.064 272 HG LEU 35 HG LEU 35 -3.203 -1.396 -3.828 273 HD11 LEU 35 1HD1 LEU 35 -3.975 -3.129 -2.509 274 HD12 LEU 35 2HD1 LEU 35 -2.633 -2.497 -1.554 275 HD13 LEU 35 3HD1 LEU 35 -2.419 -3.962 -2.512 276 HD21 LEU 35 3HD2 LEU 35 -0.386 -2.210 -3.121 277 HD22 LEU 35 1HD2 LEU 35 -1.269 -0.823 -2.478 278 HD23 LEU 35 2HD2 LEU 35 -0.829 -0.877 -4.186 279 H ASP 36 H ASP 36 -0.497 -1.774 -6.685 280 HA ASP 36 HA ASP 36 -0.463 0.910 -5.933 281 HB2 ASP 36 2HB ASP 36 1.549 -0.491 -6.213 282 HB3 ASP 36 1HB ASP 36 1.313 -0.455 -7.957 283 H GLY 37 H GLY 37 -1.218 -0.584 -9.020 284 HA2 GLY 37 2HA GLY 37 -1.113 1.616 -10.697 285 HA3 GLY 37 1HA GLY 37 -2.223 0.271 -10.899 286 H LEU 38 H LEU 38 -3.680 0.658 -8.492 287 HA LEU 38 HA LEU 38 -5.316 2.922 -9.312 288 HB2 LEU 38 2HB LEU 38 -5.821 0.687 -7.344 289 HB3 LEU 38 1HB LEU 38 -6.968 1.968 -7.698 290 HG LEU 38 HG LEU 38 -5.927 0.007 -9.750 291 HD11 LEU 38 1HD1 LEU 38 -8.535 0.035 -8.237 292 HD12 LEU 38 2HD1 LEU 38 -7.250 -1.164 -8.095 293 HD13 LEU 38 3HD1 LEU 38 -8.153 -1.016 -9.601 294 HD21 LEU 38 3HD2 LEU 38 -7.783 0.864 -11.098 295 HD22 LEU 38 1HD2 LEU 38 -6.626 2.132 -10.696 296 HD23 LEU 38 2HD2 LEU 38 -8.162 2.031 -9.834 297 H GLN 39 H GLN 39 -3.427 1.757 -6.604 298 HA GLN 39 HA GLN 39 -4.145 3.568 -4.620 299 HB2 GLN 39 2HB GLN 39 -2.662 1.584 -4.318 300 HB3 GLN 39 1HB GLN 39 -1.385 2.451 -5.157 301 HG2 GLN 39 2HG GLN 39 -1.673 4.238 -3.346 302 HG3 GLN 39 1HG GLN 39 -2.567 2.999 -2.468 303 HE21 GLN 39 1HE2 GLN 39 0.256 2.499 -4.545 304 HE22 GLN 39 2HE2 GLN 39 1.283 1.920 -3.281 305 H ASN 40 H ASN 40 -1.414 3.786 -6.877 306 HA ASN 40 HA ASN 40 -0.603 6.376 -6.169 307 HB2 ASN 40 2HB ASN 40 0.848 4.843 -7.374 308 HB3 ASN 40 1HB ASN 40 -0.256 4.827 -8.742 309 HD21 ASN 40 1HD2 ASN 40 2.252 6.544 -7.111 310 HD22 ASN 40 2HD2 ASN 40 2.475 7.770 -8.312 311 H MET 41 H MET 41 -2.720 5.229 -8.760 312 HA MET 41 HA MET 41 -3.153 7.634 -10.087 313 HB2 MET 41 2HB MET 41 -3.813 5.498 -11.032 314 HB3 MET 41 1HB MET 41 -5.007 5.274 -9.762 315 HG2 MET 41 2HG MET 41 -6.075 7.424 -10.626 316 HG3 MET 41 1HG MET 41 -5.042 7.221 -12.042 317 HE1 MET 41 3HE MET 41 -6.260 3.774 -13.445 318 HE2 MET 41 1HE MET 41 -4.897 4.129 -12.383 319 HE3 MET 41 2HE MET 41 -5.246 5.180 -13.754 320 H LEU 42 H LEU 42 -5.207 6.142 -7.552 321 HA LEU 42 HA LEU 42 -7.072 8.256 -7.492 322 HB2 LEU 42 2HB LEU 42 -6.396 6.210 -5.386 323 HB3 LEU 42 1HB LEU 42 -7.768 7.301 -5.299 324 HG LEU 42 HG LEU 42 -7.367 5.306 -7.531 325 HD11 LEU 42 1HD1 LEU 42 -7.605 4.129 -5.409 326 HD12 LEU 42 2HD1 LEU 42 -9.044 3.934 -6.409 327 HD13 LEU 42 3HD1 LEU 42 -9.061 5.057 -5.050 328 HD21 LEU 42 3HD2 LEU 42 -9.749 6.946 -6.667 329 HD22 LEU 42 1HD2 LEU 42 -9.762 5.713 -7.927 330 HD23 LEU 42 2HD2 LEU 42 -8.794 7.171 -8.132 331 H SER 43 H SER 43 -4.105 7.722 -5.670 332 HA SER 43 HA SER 43 -4.449 9.711 -3.731 333 HB2 SER 43 2HB SER 43 -1.893 8.684 -4.980 334 HB3 SER 43 1HB SER 43 -1.988 9.632 -3.495 335 HG SER 43 HG SER 43 -2.922 7.004 -3.983 336 H ILE 44 H ILE 44 -3.542 9.937 -7.081 337 HA ILE 44 HA ILE 44 -2.990 12.810 -6.730 338 HB ILE 44 HB ILE 44 -2.347 11.352 -9.272 339 HG12 ILE 44 2HG1 ILE 44 -0.502 11.475 -6.871 340 HG13 ILE 44 1HG1 ILE 44 -1.370 10.030 -7.374 341 HG21 ILE 44 1HG2 ILE 44 -1.032 13.671 -7.843 342 HG22 ILE 44 2HG2 ILE 44 -2.190 13.804 -9.166 343 HG23 ILE 44 3HG2 ILE 44 -0.619 13.060 -9.445 344 HD11 ILE 44 3HD1 ILE 44 0.892 9.916 -8.149 345 HD12 ILE 44 1HD1 ILE 44 0.742 11.489 -8.932 346 HD13 ILE 44 2HD1 ILE 44 -0.187 10.115 -9.531 347 H GLU 45 H GLU 45 -5.582 11.321 -6.937 348 HA GLU 45 HA GLU 45 -6.700 12.808 -9.223 349 HB2 GLU 45 2HB GLU 45 -6.742 10.398 -9.663 350 HB3 GLU 45 1HB GLU 45 -7.591 10.122 -8.150 351 HG2 GLU 45 2HG GLU 45 -9.098 10.011 -10.057 352 HG3 GLU 45 1HG GLU 45 -9.518 11.338 -8.977 353 H GLN 46 H GLN 46 -7.746 11.154 -6.236 354 HA GLN 46 HA GLN 46 -9.107 13.602 -5.416 355 HB2 GLN 46 2HB GLN 46 -10.594 11.876 -6.776 356 HB3 GLN 46 1HB GLN 46 -10.647 11.050 -5.221 357 HG2 GLN 46 2HG GLN 46 -11.507 13.909 -5.699 358 HG3 GLN 46 1HG GLN 46 -12.591 12.524 -5.561 359 HE21 GLN 46 1HE2 GLN 46 -12.653 11.394 -3.547 360 HE22 GLN 46 2HE2 GLN 46 -12.254 12.211 -2.076 361 H TYR 47 H TYR 47 -8.130 13.928 -3.507 362 HA TYR 47 HA TYR 47 -8.353 11.848 -1.477 363 HB2 TYR 47 2HB TYR 47 -6.057 12.035 -0.773 364 HB3 TYR 47 1HB TYR 47 -6.080 11.641 -2.483 365 HD1 TYR 47 HD1 TYR 47 -6.015 13.833 -4.058 366 HD2 TYR 47 HD2 TYR 47 -4.547 13.616 -0.072 367 HE1 TYR 47 HE1 TYR 47 -4.530 15.736 -4.513 368 HE2 TYR 47 HE2 TYR 47 -3.054 15.523 -0.512 369 HH TYR 47 HH TYR 47 -3.381 17.529 -3.201 370 H THR 48 H THR 48 -9.654 14.420 -2.100 371 HA THR 48 HA THR 48 -9.160 15.728 0.476 372 HB THR 48 HB THR 48 -9.813 17.438 -1.893 373 HG1 THR 48 HG1 THR 48 -7.109 17.065 -1.175 374 HG21 THR 48 3HG2 THR 48 -9.896 18.378 0.377 375 HG22 THR 48 1HG2 THR 48 -8.632 19.137 -0.593 376 HG23 THR 48 2HG2 THR 48 -8.210 17.929 0.623 377 H ASP 49 H ASP 49 -11.043 14.756 1.256 378 HA ASP 49 HA ASP 49 -13.561 15.136 -0.113 379 HB2 ASP 49 2HB ASP 49 -13.649 13.107 0.969 380 HB3 ASP 49 1HB ASP 49 -12.654 13.655 2.312 381 H GLY 50 H GLY 50 -12.040 16.240 2.911 382 HA2 GLY 50 2HA GLY 50 -12.278 18.622 3.439 383 HA3 GLY 50 1HA GLY 50 -13.931 18.508 2.863 384 H LYS 51 H LYS 51 -14.373 15.917 4.225 385 HA LYS 51 HA LYS 51 -14.935 17.058 6.856 386 HB2 LYS 51 2HB LYS 51 -15.992 14.674 5.359 387 HB3 LYS 51 1HB LYS 51 -16.264 14.851 7.085 388 HG2 LYS 51 2HG LYS 51 -18.108 15.961 6.529 389 HG3 LYS 51 1HG LYS 51 -17.039 17.298 6.111 390 HD2 LYS 51 2HD LYS 51 -17.637 15.181 4.073 391 HD3 LYS 51 1HD LYS 51 -18.819 16.447 4.396 392 HE2 LYS 51 2HE LYS 51 -17.382 18.141 3.670 393 HE3 LYS 51 1HE LYS 51 -15.955 17.122 3.820 394 HZ1 LYS 51 3HZ LYS 51 -18.106 16.794 1.800 395 HZ2 LYS 51 1HZ LYS 51 -16.723 15.821 1.938 396 HZ3 LYS 51 2HZ LYS 51 -16.576 17.454 1.513 397 H GLY 52 H GLY 52 -13.242 14.366 5.337 398 HA2 GLY 52 2HA GLY 52 -11.214 14.206 7.204 399 HA3 GLY 52 1HA GLY 52 -12.474 13.137 7.797 400 H GLN 53 H GLN 53 -10.510 13.830 4.927 401 HA GLN 53 HA GLN 53 -11.008 11.314 3.714 402 HB2 GLN 53 2HB GLN 53 -8.930 11.910 2.342 403 HB3 GLN 53 1HB GLN 53 -10.312 12.984 2.218 404 HG2 GLN 53 2HG GLN 53 -8.270 13.657 4.247 405 HG3 GLN 53 1HG GLN 53 -7.816 13.839 2.551 406 HE21 GLN 53 1HE2 GLN 53 -7.704 16.057 2.659 407 HE22 GLN 53 2HE2 GLN 53 -9.104 17.063 2.818 408 H LYS 54 H LYS 54 -10.202 9.389 4.212 409 HA LYS 54 HA LYS 54 -7.878 9.271 5.999 410 HB2 LYS 54 2HB LYS 54 -10.038 8.281 6.773 411 HB3 LYS 54 1HB LYS 54 -9.936 7.137 5.442 412 HG2 LYS 54 2HG LYS 54 -7.709 6.425 6.409 413 HG3 LYS 54 1HG LYS 54 -8.144 7.366 7.835 414 HD2 LYS 54 2HD LYS 54 -9.861 5.170 6.688 415 HD3 LYS 54 1HD LYS 54 -8.683 4.919 7.974 416 HE2 LYS 54 2HE LYS 54 -10.517 5.275 9.261 417 HE3 LYS 54 1HE LYS 54 -10.021 6.951 9.051 418 HZ1 LYS 54 3HZ LYS 54 -12.026 5.575 7.351 419 HZ2 LYS 54 1HZ LYS 54 -11.624 7.218 7.315 420 HZ3 LYS 54 2HZ LYS 54 -12.406 6.569 8.661 421 H ILE 55 H ILE 55 -6.025 8.454 5.270 422 HA ILE 55 HA ILE 55 -6.056 6.927 2.746 423 HB ILE 55 HB ILE 55 -3.836 8.697 3.801 424 HG12 ILE 55 2HG1 ILE 55 -5.644 9.199 1.429 425 HG13 ILE 55 1HG1 ILE 55 -5.913 9.901 3.021 426 HG21 ILE 55 1HG2 ILE 55 -3.388 6.619 2.271 427 HG22 ILE 55 2HG2 ILE 55 -2.584 8.155 1.948 428 HG23 ILE 55 3HG2 ILE 55 -3.991 7.685 0.998 429 HD11 ILE 55 3HD1 ILE 55 -3.785 11.065 2.880 430 HD12 ILE 55 1HD1 ILE 55 -4.808 11.465 1.500 431 HD13 ILE 55 2HD1 ILE 55 -3.473 10.327 1.310 432 H SER 56 H SER 56 -6.143 4.906 3.706 433 HA SER 56 HA SER 56 -3.793 4.189 5.322 434 HB2 SER 56 2HB SER 56 -6.599 3.113 5.693 435 HB3 SER 56 1HB SER 56 -5.176 2.656 6.632 436 HG SER 56 HG SER 56 -5.500 5.343 6.574 437 H VAL 57 H VAL 57 -2.561 2.835 4.273 438 HA VAL 57 HA VAL 57 -3.724 1.084 2.232 439 HB VAL 57 HB VAL 57 -0.801 1.674 2.726 440 HG11 VAL 57 1HG1 VAL 57 -1.291 -0.423 1.524 441 HG12 VAL 57 2HG1 VAL 57 -0.464 0.756 0.509 442 HG13 VAL 57 3HG1 VAL 57 -2.197 0.498 0.327 443 HG21 VAL 57 3HG2 VAL 57 -0.951 3.190 0.795 444 HG22 VAL 57 1HG2 VAL 57 -1.958 3.735 2.135 445 HG23 VAL 57 2HG2 VAL 57 -2.694 2.941 0.744 446 H HIS 58 H HIS 58 -4.416 -0.736 3.214 447 HA HIS 58 HA HIS 58 -2.639 -2.027 5.155 448 HB2 HIS 58 2HB HIS 58 -5.574 -2.250 4.574 449 HB3 HIS 58 1HB HIS 58 -4.734 -3.574 5.375 450 HD1 HIS 58 HD1 HIS 58 -6.132 -3.139 7.540 451 HD2 HIS 58 HD2 HIS 58 -3.697 0.029 6.380 452 HE1 HIS 58 HE1 HIS 58 -6.039 -1.592 9.519 453 H VAL 59 H VAL 59 -1.139 -2.782 3.691 454 HA VAL 59 HA VAL 59 -2.038 -4.659 1.646 455 HB VAL 59 HB VAL 59 0.634 -4.654 1.310 456 HG11 VAL 59 1HG1 VAL 59 0.268 -2.975 -0.439 457 HG12 VAL 59 2HG1 VAL 59 -1.285 -2.568 0.291 458 HG13 VAL 59 3HG1 VAL 59 -1.023 -4.173 -0.392 459 HG21 VAL 59 3HG2 VAL 59 0.825 -3.013 3.249 460 HG22 VAL 59 1HG2 VAL 59 0.093 -1.823 2.174 461 HG23 VAL 59 2HG2 VAL 59 1.634 -2.563 1.748 462 H LYS 60 H LYS 60 -2.593 -6.457 2.773 463 HA LYS 60 HA LYS 60 -0.608 -7.698 4.530 464 HB2 LYS 60 2HB LYS 60 -3.514 -8.351 3.997 465 HB3 LYS 60 1HB LYS 60 -2.478 -9.281 5.067 466 HG2 LYS 60 2HG LYS 60 -3.035 -6.354 5.454 467 HG3 LYS 60 1HG LYS 60 -4.010 -7.636 6.178 468 HD2 LYS 60 2HD LYS 60 -1.828 -8.528 7.142 469 HD3 LYS 60 1HD LYS 60 -1.119 -6.981 6.671 470 HE2 LYS 60 2HE LYS 60 -2.788 -5.808 8.028 471 HE3 LYS 60 1HE LYS 60 -3.486 -7.359 8.496 472 HZ1 LYS 60 3HZ LYS 60 -0.727 -6.456 9.098 473 HZ2 LYS 60 1HZ LYS 60 -1.395 -7.943 9.547 474 HZ3 LYS 60 2HZ LYS 60 -2.010 -6.509 10.196 475 H LEU 61 H LEU 61 0.521 -7.849 2.267 476 HA LEU 61 HA LEU 61 -0.372 -10.240 0.830 477 HB2 LEU 61 2HB LEU 61 1.707 -8.175 0.121 478 HB3 LEU 61 1HB LEU 61 1.284 -9.551 -0.879 479 HG LEU 61 HG LEU 61 -0.568 -7.291 -0.126 480 HD11 LEU 61 1HD1 LEU 61 1.099 -6.533 -1.676 481 HD12 LEU 61 2HD1 LEU 61 -0.425 -6.749 -2.538 482 HD13 LEU 61 3HD1 LEU 61 0.855 -7.951 -2.696 483 HD21 LEU 61 3HD2 LEU 61 -1.966 -8.364 -1.965 484 HD22 LEU 61 1HD2 LEU 61 -1.926 -9.181 -0.402 485 HD23 LEU 61 2HD2 LEU 61 -0.954 -9.789 -1.741 486 H GLY 62 H GLY 62 1.595 -9.517 3.347 487 HA2 GLY 62 2HA GLY 62 3.232 -10.681 4.452 488 HA3 GLY 62 1HA GLY 62 2.825 -12.045 3.423 489 H ASN 63 H ASN 63 4.566 -12.798 2.395 490 HA ASN 63 HA ASN 63 6.857 -11.114 1.952 491 HB2 ASN 63 2HB ASN 63 7.893 -13.169 1.010 492 HB3 ASN 63 1HB ASN 63 7.264 -13.393 2.637 493 HD21 ASN 63 1HD2 ASN 63 7.826 -15.326 0.460 494 HD22 ASN 63 2HD2 ASN 63 6.346 -16.188 0.224 495 H ARG 64 H ARG 64 5.162 -9.791 0.626 496 HA ARG 64 HA ARG 64 4.548 -10.556 -2.013 497 HB2 ARG 64 2HB ARG 64 4.076 -8.189 -2.418 498 HB3 ARG 64 1HB ARG 64 3.402 -8.720 -0.885 499 HG2 ARG 64 2HG ARG 64 5.387 -7.698 0.250 500 HG3 ARG 64 1HG ARG 64 5.861 -7.035 -1.316 501 HD2 ARG 64 2HD ARG 64 3.813 -5.778 -1.456 502 HD3 ARG 64 1HD ARG 64 3.195 -6.542 0.007 503 HE ARG 64 HE ARG 64 5.123 -5.389 1.158 504 HH11 ARG 64 1HH1 ARG 64 3.628 -4.091 -1.751 505 HH12 ARG 64 2HH1 ARG 64 4.108 -2.446 -1.391 506 HH21 ARG 64 1HH2 ARG 64 5.715 -3.249 1.618 507 HH22 ARG 64 2HH2 ARG 64 5.309 -1.973 0.490 508 H PHE 65 H PHE 65 7.473 -9.508 -0.600 509 HA PHE 65 HA PHE 65 9.562 -9.127 -1.376 510 HB2 PHE 65 2HB PHE 65 8.720 -11.361 -2.609 511 HB3 PHE 65 1HB PHE 65 9.017 -10.350 -4.021 512 HD1 PHE 65 HD2 PHE 65 10.612 -11.608 -0.909 513 HD2 PHE 65 HD1 PHE 65 11.181 -10.089 -4.849 514 HE1 PHE 65 HE2 PHE 65 13.014 -12.115 -0.758 515 HE2 PHE 65 HE1 PHE 65 13.586 -10.595 -4.699 516 HZ PHE 65 HZ PHE 65 14.504 -11.611 -2.654 517 H LEU 66 H LEU 66 7.820 -7.000 -1.737 518 HA LEU 66 HA LEU 66 8.529 -5.904 -4.361 519 HB2 LEU 66 2HB LEU 66 6.121 -5.901 -3.209 520 HB3 LEU 66 1HB LEU 66 6.754 -4.441 -2.470 521 HG LEU 66 HG LEU 66 7.340 -3.809 -4.960 522 HD11 LEU 66 1HD1 LEU 66 5.561 -4.634 -6.486 523 HD12 LEU 66 2HD1 LEU 66 5.112 -5.814 -5.256 524 HD13 LEU 66 3HD1 LEU 66 6.712 -5.874 -5.994 525 HD21 LEU 66 3HD2 LEU 66 5.878 -2.520 -3.530 526 HD22 LEU 66 1HD2 LEU 66 4.569 -3.678 -3.781 527 HD23 LEU 66 2HD2 LEU 66 5.150 -2.698 -5.127 528 H TYR 67 H TYR 67 9.470 -3.807 -4.487 529 HA TYR 67 HA TYR 67 11.435 -3.334 -2.472 530 HB2 TYR 67 2HB TYR 67 10.666 -1.702 -4.900 531 HB3 TYR 67 1HB TYR 67 12.072 -1.394 -3.887 532 HD1 TYR 67 HD2 TYR 67 10.601 -3.619 -6.396 533 HD2 TYR 67 HD1 TYR 67 14.025 -2.832 -3.996 534 HE1 TYR 67 HE2 TYR 67 11.912 -5.178 -7.771 535 HE2 TYR 67 HE1 TYR 67 15.350 -4.391 -5.365 536 HH TYR 67 HH TYR 67 14.157 -5.683 -8.342 537 H LYS 68 H LYS 68 10.575 -2.714 -0.571 538 HA LYS 68 HA LYS 68 8.382 -1.030 -0.162 539 HB2 LYS 68 2HB LYS 68 10.426 -2.284 1.475 540 HB3 LYS 68 1HB LYS 68 10.039 -0.674 2.060 541 HG2 LYS 68 2HG LYS 68 7.930 -2.737 1.476 542 HG3 LYS 68 1HG LYS 68 8.691 -2.565 3.060 543 HD2 LYS 68 2HD LYS 68 7.460 -0.198 1.692 544 HD3 LYS 68 1HD LYS 68 6.453 -1.348 2.580 545 HE2 LYS 68 2HE LYS 68 8.875 -0.012 3.787 546 HE3 LYS 68 1HE LYS 68 7.254 0.679 3.890 547 HZ1 LYS 68 3HZ LYS 68 6.628 -1.631 4.831 548 HZ2 LYS 68 1HZ LYS 68 7.429 -0.527 5.833 549 HZ3 LYS 68 2HZ LYS 68 8.291 -1.797 5.125 550 H GLU 69 H GLU 69 11.804 -0.303 -0.533 551 HA GLU 69 HA GLU 69 11.690 2.373 0.337 552 HB2 GLU 69 2HB GLU 69 13.594 1.237 -1.716 553 HB3 GLU 69 1HB GLU 69 13.854 2.634 -0.679 554 HG2 GLU 69 2HG GLU 69 14.996 1.174 0.575 555 HG3 GLU 69 1HG GLU 69 13.398 0.735 1.177 556 H GLN 70 H GLN 70 10.858 0.852 -2.690 557 HA GLN 70 HA GLN 70 10.944 3.138 -4.356 558 HB2 GLN 70 2HB GLN 70 9.626 0.464 -4.491 559 HB3 GLN 70 1HB GLN 70 9.084 1.721 -5.595 560 HG2 GLN 70 2HG GLN 70 11.940 0.780 -5.333 561 HG3 GLN 70 1HG GLN 70 10.809 0.253 -6.582 562 HE21 GLN 70 1HE2 GLN 70 10.079 1.780 -8.113 563 HE22 GLN 70 2HE2 GLN 70 11.017 3.186 -8.477 564 H GLU 71 H GLU 71 8.439 1.679 -2.357 565 HA GLU 71 HA GLU 71 6.375 3.490 -3.093 566 HB2 GLU 71 2HB GLU 71 6.526 2.014 -0.468 567 HB3 GLU 71 1HB GLU 71 5.092 2.493 -1.368 568 HG2 GLU 71 2HG GLU 71 5.584 0.858 -3.082 569 HG3 GLU 71 1HG GLU 71 7.080 0.419 -2.262 570 H GLU 72 H GLU 72 8.800 3.371 -0.588 571 HA GLU 72 HA GLU 72 7.914 5.482 1.019 572 HB2 GLU 72 2HB GLU 72 9.689 3.743 1.524 573 HB3 GLU 72 1HB GLU 72 10.791 4.712 0.557 574 HG2 GLU 72 2HG GLU 72 11.273 5.870 2.374 575 HG3 GLU 72 1HG GLU 72 9.624 6.495 2.362 576 H GLN 73 H GLN 73 10.249 5.477 -1.681 577 HA GLN 73 HA GLN 73 10.960 8.177 -1.492 578 HB2 GLN 73 2HB GLN 73 11.979 7.962 -3.622 579 HB3 GLN 73 1HB GLN 73 12.159 6.409 -2.820 580 HG2 GLN 73 2HG GLN 73 10.761 5.341 -4.267 581 HG3 GLN 73 1HG GLN 73 9.819 6.795 -4.607 582 HE21 GLN 73 1HE2 GLN 73 9.976 6.355 -6.851 583 HE22 GLN 73 2HE2 GLN 73 11.437 6.687 -7.719 584 H LEU 74 H LEU 74 8.146 6.716 -3.016 585 HA LEU 74 HA LEU 74 7.501 9.216 -4.347 586 HB2 LEU 74 2HB LEU 74 5.647 8.099 -5.342 587 HB3 LEU 74 1HB LEU 74 7.028 7.027 -5.433 588 HG LEU 74 HG LEU 74 5.858 6.154 -3.137 589 HD11 LEU 74 1HD1 LEU 74 3.940 7.658 -3.406 590 HD12 LEU 74 2HD1 LEU 74 3.458 5.967 -3.545 591 HD13 LEU 74 3HD1 LEU 74 3.618 6.958 -4.992 592 HD21 LEU 74 3HD2 LEU 74 5.298 5.280 -5.966 593 HD22 LEU 74 1HD2 LEU 74 4.981 4.312 -4.524 594 HD23 LEU 74 2HD2 LEU 74 6.638 4.750 -4.947 595 H THR 75 H THR 75 6.542 7.426 -1.505 596 HA THR 75 HA THR 75 4.209 8.930 -0.919 597 HB THR 75 HB THR 75 5.959 7.371 0.994 598 HG1 THR 75 HG1 THR 75 5.236 5.938 -0.527 599 HG21 THR 75 3HG2 THR 75 3.043 8.150 1.221 600 HG22 THR 75 1HG2 THR 75 4.366 8.943 2.076 601 HG23 THR 75 2HG2 THR 75 3.989 7.254 2.410 602 H GLU 76 H GLU 76 7.614 9.363 -0.195 603 HA GLU 76 HA GLU 76 7.441 11.255 1.838 604 HB2 GLU 76 2HB GLU 76 9.523 10.840 -0.296 605 HB3 GLU 76 1HB GLU 76 9.706 12.019 0.996 606 HG2 GLU 76 2HG GLU 76 9.468 9.035 1.271 607 HG3 GLU 76 1HG GLU 76 10.872 10.042 1.616 608 H LEU 77 H LEU 77 6.760 11.607 -1.537 609 HA LEU 77 HA LEU 77 7.125 14.414 -1.732 610 HB2 LEU 77 2HB LEU 77 5.689 12.353 -3.331 611 HB3 LEU 77 1HB LEU 77 5.248 14.030 -3.579 612 HG LEU 77 HG LEU 77 7.706 14.489 -4.012 613 HD11 LEU 77 1HD1 LEU 77 8.610 12.466 -3.006 614 HD12 LEU 77 2HD1 LEU 77 9.073 12.595 -4.703 615 HD13 LEU 77 3HD1 LEU 77 7.789 11.488 -4.222 616 HD21 LEU 77 3HD2 LEU 77 7.581 13.678 -6.325 617 HD22 LEU 77 1HD2 LEU 77 6.069 14.418 -5.797 618 HD23 LEU 77 2HD2 LEU 77 6.208 12.662 -5.882 619 H ILE 78 H ILE 78 4.513 12.364 -0.660 620 HA ILE 78 HA ILE 78 2.744 14.657 -0.249 621 HB ILE 78 HB ILE 78 2.128 11.756 0.330 622 HG12 ILE 78 2HG1 ILE 78 0.790 12.377 -1.998 623 HG13 ILE 78 1HG1 ILE 78 2.345 13.163 -2.234 624 HG21 ILE 78 1HG2 ILE 78 -0.196 12.462 0.126 625 HG22 ILE 78 2HG2 ILE 78 0.327 14.112 -0.205 626 HG23 ILE 78 3HG2 ILE 78 0.640 13.388 1.372 627 HD11 ILE 78 3HD1 ILE 78 2.335 10.926 -3.165 628 HD12 ILE 78 1HD1 ILE 78 1.919 10.258 -1.588 629 HD13 ILE 78 2HD1 ILE 78 3.480 11.042 -1.828 630 H ALA 79 H ALA 79 4.979 12.708 1.420 631 HA ALA 79 HA ALA 79 3.904 12.685 4.017 632 HB1 ALA 79 1HB ALA 79 5.774 11.259 3.264 633 HB2 ALA 79 2HB ALA 79 6.117 12.109 4.772 634 HB3 ALA 79 3HB ALA 79 6.821 12.679 3.257 635 H SER 80 H SER 80 5.274 15.233 2.192 636 HA SER 80 HA SER 80 6.179 16.839 4.376 637 HB2 SER 80 2HB SER 80 6.010 18.672 2.533 638 HB3 SER 80 1HB SER 80 7.178 17.368 2.313 639 HG SER 80 HG SER 80 6.177 16.980 0.514 640 H LYS 81 H LYS 81 3.159 16.265 2.785 641 HA LYS 81 HA LYS 81 1.877 18.329 4.455 642 HB2 LYS 81 2HB LYS 81 0.093 18.415 2.688 643 HB3 LYS 81 1HB LYS 81 1.654 19.047 2.182 644 HG2 LYS 81 2HG LYS 81 2.116 17.067 0.903 645 HG3 LYS 81 1HG LYS 81 0.687 16.257 1.547 646 HD2 LYS 81 2HD LYS 81 -0.776 17.708 0.362 647 HD3 LYS 81 1HD LYS 81 0.537 18.813 -0.041 648 HE2 LYS 81 2HE LYS 81 1.563 17.060 -1.423 649 HE3 LYS 81 1HE LYS 81 0.208 15.996 -1.055 650 HZ1 LYS 81 3HZ LYS 81 0.191 17.354 -3.227 651 HZ2 LYS 81 1HZ LYS 81 -0.279 18.643 -2.246 652 HZ3 LYS 81 2HZ LYS 81 -1.237 17.250 -2.324 653 H LYS 82 H LYS 82 2.397 15.778 5.376 654 HA LYS 82 HA LYS 82 0.110 14.087 5.013 655 HB2 LYS 82 2HB LYS 82 1.135 12.670 6.767 656 HB3 LYS 82 1HB LYS 82 2.224 13.025 5.438 657 HG2 LYS 82 2HG LYS 82 3.504 14.508 6.745 658 HG3 LYS 82 1HG LYS 82 2.267 14.584 8.002 659 HD2 LYS 82 2HD LYS 82 2.726 12.385 8.726 660 HD3 LYS 82 1HD LYS 82 3.670 12.025 7.276 661 HE2 LYS 82 2HE LYS 82 4.472 14.127 9.289 662 HE3 LYS 82 1HE LYS 82 5.026 12.455 9.368 663 HZ1 LYS 82 3HZ LYS 82 6.577 13.985 8.249 664 HZ2 LYS 82 1HZ LYS 82 5.436 14.228 7.023 665 HZ3 LYS 82 2HZ LYS 82 6.105 12.691 7.275 666 H ASP 83 H ASP 83 -1.030 16.338 5.693 667 HA ASP 83 HA ASP 83 -1.458 16.526 8.549 668 HB2 ASP 83 2HB ASP 83 -1.519 18.558 7.164 669 HB3 ASP 83 1HB ASP 83 -2.862 17.891 6.241 670 H LEU 84 H LEU 84 -2.790 14.897 5.861 671 HA LEU 84 HA LEU 84 -5.370 14.376 7.022 672 HB2 LEU 84 2HB LEU 84 -4.009 13.091 4.647 673 HB3 LEU 84 1HB LEU 84 -5.691 12.887 5.087 674 HG LEU 84 HG LEU 84 -5.907 14.436 3.426 675 HD11 LEU 84 1HD1 LEU 84 -6.774 15.388 5.569 676 HD12 LEU 84 2HD1 LEU 84 -6.393 16.580 4.326 677 HD13 LEU 84 3HD1 LEU 84 -5.288 16.329 5.679 678 HD21 LEU 84 3HD2 LEU 84 -3.525 14.606 2.940 679 HD22 LEU 84 1HD2 LEU 84 -3.323 15.721 4.291 680 HD23 LEU 84 2HD2 LEU 84 -4.301 16.188 2.901 681 H PHE 85 H PHE 85 -6.073 11.993 7.156 682 HA PHE 85 HA PHE 85 -4.323 10.719 9.053 683 HB2 PHE 85 2HB PHE 85 -6.966 9.765 7.933 684 HB3 PHE 85 1HB PHE 85 -6.138 9.107 9.339 685 HD1 PHE 85 HD1 PHE 85 -5.747 10.674 11.317 686 HD2 PHE 85 HD2 PHE 85 -8.478 11.511 8.163 687 HE1 PHE 85 HE1 PHE 85 -6.917 12.274 12.765 688 HE2 PHE 85 HE2 PHE 85 -9.655 13.120 9.608 689 HZ PHE 85 HZ PHE 85 -8.878 13.502 11.910 690 H VAL 86 H VAL 86 -2.542 10.290 7.625 691 HA VAL 86 HA VAL 86 -2.997 8.131 5.697 692 HB VAL 86 HB VAL 86 -1.770 10.018 4.798 693 HG11 VAL 86 1HG1 VAL 86 0.560 10.468 5.684 694 HG12 VAL 86 2HG1 VAL 86 0.068 9.579 7.126 695 HG13 VAL 86 3HG1 VAL 86 -0.788 11.049 6.662 696 HG21 VAL 86 3HG2 VAL 86 0.232 8.871 3.977 697 HG22 VAL 86 1HG2 VAL 86 -1.182 7.818 3.960 698 HG23 VAL 86 2HG2 VAL 86 0.032 7.643 5.228 699 H HIS 87 H HIS 87 -2.489 6.098 6.178 700 HA HIS 87 HA HIS 87 -0.342 5.509 8.060 701 HB2 HIS 87 2HB HIS 87 -3.212 4.681 8.505 702 HB3 HIS 87 1HB HIS 87 -1.861 3.844 9.255 703 HD1 HIS 87 HD1 HIS 87 -0.262 5.562 10.742 704 HD2 HIS 87 HD2 HIS 87 -4.197 6.677 10.010 705 HE1 HIS 87 HE1 HIS 87 -0.800 7.310 12.466 706 H SER 88 H SER 88 0.875 4.311 6.708 707 HA SER 88 HA SER 88 -0.453 2.115 5.264 708 HB2 SER 88 2HB SER 88 2.134 3.474 4.484 709 HB3 SER 88 1HB SER 88 1.213 2.308 3.536 710 HG SER 88 HG SER 88 0.614 4.248 2.734 711 H ILE 89 H ILE 89 0.160 0.096 5.802 712 HA ILE 89 HA ILE 89 2.814 -0.381 6.876 713 HB ILE 89 HB ILE 89 1.647 0.092 8.916 714 HG12 ILE 89 2HG1 ILE 89 1.817 -2.917 8.637 715 HG13 ILE 89 1HG1 ILE 89 3.204 -1.858 8.875 716 HG21 ILE 89 1HG2 ILE 89 -0.417 -1.941 8.091 717 HG22 ILE 89 2HG2 ILE 89 -0.641 -0.192 8.097 718 HG23 ILE 89 3HG2 ILE 89 -0.380 -1.053 9.613 719 HD11 ILE 89 3HD1 ILE 89 2.501 -2.931 10.946 720 HD12 ILE 89 1HD1 ILE 89 0.907 -2.196 10.787 721 HD13 ILE 89 2HD1 ILE 89 2.325 -1.178 11.039 722 H ASP 90 H ASP 90 3.613 -2.153 6.007 723 HA ASP 90 HA ASP 90 1.745 -4.119 4.870 724 HB2 ASP 90 2HB ASP 90 3.484 -4.690 3.265 725 HB3 ASP 90 1HB ASP 90 3.163 -2.963 3.208 726 H SER 91 H SER 91 2.481 -6.347 4.840 727 HA SER 91 HA SER 91 3.607 -7.082 7.412 728 HB2 SER 91 2HB SER 91 2.573 -8.950 5.278 729 HB3 SER 91 1HB SER 91 2.696 -9.241 7.013 730 HG SER 91 HG SER 91 1.187 -7.327 7.115 731 H GLU 92 H GLU 92 5.659 -6.037 6.275 732 HA GLU 92 HA GLU 92 7.136 -7.697 4.505 733 HB2 GLU 92 2HB GLU 92 9.005 -6.192 4.938 734 HB3 GLU 92 1HB GLU 92 7.531 -5.273 4.679 735 HG2 GLU 92 2HG GLU 92 7.314 -4.829 7.021 736 HG3 GLU 92 1HG GLU 92 8.639 -5.928 7.397 737 H VAL 93 H VAL 93 9.021 -8.917 4.938 738 HA VAL 93 HA VAL 93 9.191 -9.923 7.699 739 HB VAL 93 HB VAL 93 8.355 -11.712 6.387 740 HG11 VAL 93 1HG1 VAL 93 9.416 -12.495 4.314 741 HG12 VAL 93 2HG1 VAL 93 10.530 -11.126 4.384 742 HG13 VAL 93 3HG1 VAL 93 8.800 -10.849 4.173 743 HG21 VAL 93 3HG2 VAL 93 10.232 -12.265 7.919 744 HG22 VAL 93 1HG2 VAL 93 11.327 -12.183 6.538 745 HG23 VAL 93 2HG2 VAL 93 10.048 -13.396 6.579 746 H ILE 94 H ILE 94 10.943 -9.151 8.646 747 HA ILE 94 HA ILE 94 13.318 -8.571 7.021 748 HB ILE 94 HB ILE 94 12.247 -6.801 8.479 749 HG12 ILE 94 2HG1 ILE 94 15.127 -7.385 9.172 750 HG13 ILE 94 1HG1 ILE 94 14.622 -6.757 7.606 751 HG21 ILE 94 1HG2 ILE 94 12.718 -6.820 10.855 752 HG22 ILE 94 2HG2 ILE 94 13.505 -8.390 10.705 753 HG23 ILE 94 3HG2 ILE 94 11.775 -8.241 10.405 754 HD11 ILE 94 3HD1 ILE 94 14.172 -5.412 10.259 755 HD12 ILE 94 1HD1 ILE 94 13.729 -4.772 8.677 756 HD13 ILE 94 2HD1 ILE 94 15.426 -4.999 9.091 757 H THR 95 H THR 95 12.157 -11.009 8.919 758 HA THR 95 HA THR 95 14.604 -11.679 10.299 759 HB THR 95 HB THR 95 12.533 -13.747 10.088 760 HG1 THR 95 HG1 THR 95 11.160 -12.423 11.545 761 HG21 THR 95 3HG2 THR 95 12.798 -13.721 12.542 762 HG22 THR 95 1HG2 THR 95 13.857 -12.319 12.402 763 HG23 THR 95 2HG2 THR 95 14.347 -13.867 11.711 764 H LYS 96 H LYS 96 13.867 -11.854 7.149 765 HA LYS 96 HA LYS 96 15.414 -14.327 6.791 766 HB2 LYS 96 2HB LYS 96 12.944 -14.563 6.246 767 HB3 LYS 96 1HB LYS 96 13.223 -13.446 4.914 768 HG2 LYS 96 2HG LYS 96 14.790 -14.989 3.907 769 HG3 LYS 96 1HG LYS 96 14.626 -16.091 5.276 770 HD2 LYS 96 2HD LYS 96 12.214 -16.317 4.738 771 HD3 LYS 96 1HD LYS 96 12.472 -15.308 3.314 772 HE2 LYS 96 2HE LYS 96 13.858 -17.929 3.854 773 HE3 LYS 96 1HE LYS 96 12.460 -17.723 2.800 774 HZ1 LYS 96 3HZ LYS 96 15.176 -16.591 2.424 775 HZ2 LYS 96 1HZ LYS 96 13.840 -16.140 1.491 776 HZ3 LYS 96 2HZ LYS 96 14.396 -17.735 1.457 777 H LYS 97 H LYS 97 17.303 -13.137 6.554 778 HA LYS 97 HA LYS 97 17.452 -11.275 4.300 779 HB2 LYS 97 2HB LYS 97 18.404 -10.527 6.448 780 HB3 LYS 97 1HB LYS 97 19.480 -11.917 6.456 781 HG2 LYS 97 2HG LYS 97 20.522 -11.076 4.365 782 HG3 LYS 97 1HG LYS 97 19.507 -9.639 4.477 783 HD2 LYS 97 2HD LYS 97 21.279 -10.456 6.755 784 HD3 LYS 97 1HD LYS 97 21.913 -9.528 5.396 785 HE2 LYS 97 2HE LYS 97 19.553 -8.703 7.073 786 HE3 LYS 97 1HE LYS 97 21.198 -8.128 7.326 787 HZ1 LYS 97 3HZ LYS 97 21.183 -7.061 5.225 788 HZ2 LYS 97 1HZ LYS 97 19.745 -6.620 6.001 789 HZ3 LYS 97 2HZ LYS 97 19.725 -7.782 4.772 790 H GLU 98 H GLU 98 18.616 -11.707 2.487 791 HA GLU 98 HA GLU 98 19.470 -14.462 2.133 792 HB2 GLU 98 2HB GLU 98 18.783 -12.201 0.343 793 HB3 GLU 98 1HB GLU 98 19.982 -13.340 -0.256 794 HG2 GLU 98 2HG GLU 98 17.209 -14.026 0.690 795 HG3 GLU 98 1HG GLU 98 17.748 -13.954 -0.987 796 H ALA 99 H ALA 99 21.375 -14.695 3.213 797 HA ALA 99 HA ALA 99 23.525 -12.800 2.851 798 HB1 ALA 99 1HB ALA 99 23.249 -13.859 5.012 799 HB2 ALA 99 2HB ALA 99 24.800 -14.315 4.311 800 HB3 ALA 99 3HB ALA 99 23.452 -15.452 4.284 801 H GLN 100 H GLN 100 22.273 -15.094 0.936 802 HA GLN 100 HA GLN 100 24.592 -16.481 0.026 803 HB2 GLN 100 2HB GLN 100 21.756 -16.277 -0.798 804 HB3 GLN 100 1HB GLN 100 22.892 -16.633 -2.093 805 HG2 GLN 100 2HG GLN 100 21.966 -18.683 -1.141 806 HG3 GLN 100 1HG GLN 100 23.704 -18.585 -0.859 807 HE21 GLN 100 1HE2 GLN 100 20.547 -18.350 0.603 808 HE22 GLN 100 2HE2 GLN 100 21.077 -18.535 2.238 809 H GLN 101 H GLN 101 25.850 -16.108 -1.762 810 HA GLN 101 HA GLN 101 25.941 -13.333 -2.629 811 HB2 GLN 101 2HB GLN 101 27.968 -14.722 -1.867 812 HB3 GLN 101 1HB GLN 101 27.853 -15.516 -3.433 813 HG2 GLN 101 2HG GLN 101 29.508 -13.722 -3.494 814 HG3 GLN 101 1HG GLN 101 28.148 -13.356 -4.556 815 HE21 GLN 101 1HE2 GLN 101 26.813 -11.651 -4.091 816 HE22 GLN 101 2HE2 GLN 101 27.163 -10.487 -2.865 817 H ILE 102 H ILE 102 23.911 -13.609 -3.812 818 HA ILE 102 HA ILE 102 24.082 -15.190 -6.251 819 HB ILE 102 HB ILE 102 22.002 -15.390 -5.069 820 HG12 ILE 102 2HG1 ILE 102 20.393 -14.410 -6.821 821 HG13 ILE 102 1HG1 ILE 102 21.840 -13.799 -7.623 822 HG21 ILE 102 1HG2 ILE 102 21.776 -12.392 -5.272 823 HG22 ILE 102 2HG2 ILE 102 22.020 -13.334 -3.802 824 HG23 ILE 102 3HG2 ILE 102 20.505 -13.468 -4.694 825 HD11 ILE 102 3HD1 ILE 102 22.685 -16.107 -7.784 826 HD12 ILE 102 1HD1 ILE 102 21.146 -15.891 -8.614 827 HD13 ILE 102 2HD1 ILE 102 21.195 -16.685 -7.040 828 H ARG 103 H ARG 103 24.426 -14.365 -8.215 829 HA ARG 103 HA ARG 103 24.208 -11.472 -8.604 830 HB2 ARG 103 2HB ARG 103 26.610 -13.167 -8.917 831 HB3 ARG 103 1HB ARG 103 26.289 -12.063 -10.249 832 HG2 ARG 103 2HG ARG 103 26.392 -11.142 -7.386 833 HG3 ARG 103 1HG ARG 103 27.821 -11.206 -8.418 834 HD2 ARG 103 2HD ARG 103 25.307 -9.682 -9.092 835 HD3 ARG 103 1HD ARG 103 26.716 -8.971 -8.314 836 HE ARG 103 HE ARG 103 27.619 -10.195 -10.626 837 HH11 ARG 103 1HH1 ARG 103 25.368 -7.646 -9.802 838 HH12 ARG 103 2HH1 ARG 103 25.675 -6.738 -11.250 839 HH21 ARG 103 1HH2 ARG 103 28.017 -9.011 -12.538 840 HH22 ARG 103 2HH2 ARG 103 27.181 -7.517 -12.808 841 H GLU 104 H GLU 104 22.168 -12.210 -9.474 842 HA GLU 104 HA GLU 104 22.375 -13.553 -12.073 843 HB2 GLU 104 2HB GLU 104 19.905 -13.772 -11.910 844 HB3 GLU 104 1HB GLU 104 20.760 -14.567 -10.598 845 HG2 GLU 104 2HG GLU 104 20.099 -12.965 -9.037 846 HG3 GLU 104 1HG GLU 104 19.672 -11.793 -10.286 847 H GLU 105 H GLU 105 23.303 -10.927 -11.801 848 HA GLU 105 HA GLU 105 21.267 -9.334 -13.199 849 HB2 GLU 105 2HB GLU 105 23.805 -8.283 -11.957 850 HB3 GLU 105 1HB GLU 105 22.359 -7.388 -12.402 851 HG2 GLU 105 2HG GLU 105 21.118 -8.362 -10.606 852 HG3 GLU 105 1HG GLU 105 22.438 -9.467 -10.231 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -29.969 -11.569 -2.157 2 HA2 GLY 1 1HA GLY 1 -29.773 -9.283 -1.456 3 HA3 GLY 1 2HA GLY 1 -31.093 -9.530 -0.321 4 H SER 2 H SER 2 -30.615 -10.165 1.688 5 HA SER 2 HA SER 2 -27.949 -10.245 2.579 6 HB2 SER 2 2HB SER 2 -30.354 -11.337 4.049 7 HB3 SER 2 1HB SER 2 -28.861 -10.710 4.746 8 HG SER 2 HG SER 2 -29.428 -8.665 4.133 9 H HIS 3 H HIS 3 -26.525 -11.832 2.691 10 HA HIS 3 HA HIS 3 -27.400 -14.600 2.808 11 HB2 HIS 3 2HB HIS 3 -26.003 -15.315 0.936 12 HB3 HIS 3 1HB HIS 3 -27.211 -14.160 0.390 13 HD1 HIS 3 HD1 HIS 3 -23.827 -14.948 -0.132 14 HD2 HIS 3 HD2 HIS 3 -25.887 -11.380 0.382 15 HE1 HIS 3 HE1 HIS 3 -22.326 -13.163 -1.066 16 H MET 4 H MET 4 -26.217 -15.669 4.239 17 HA MET 4 HA MET 4 -23.947 -14.374 5.451 18 HB2 MET 4 2HB MET 4 -25.698 -15.689 6.706 19 HB3 MET 4 1HB MET 4 -25.004 -17.145 6.008 20 HG2 MET 4 2HG MET 4 -22.889 -16.693 7.102 21 HG3 MET 4 1HG MET 4 -23.530 -15.189 7.757 22 HE1 MET 4 3HE MET 4 -26.595 -16.287 8.453 23 HE2 MET 4 1HE MET 4 -25.652 -15.127 9.386 24 HE3 MET 4 2HE MET 4 -26.333 -16.548 10.177 25 H LYS 5 H LYS 5 -21.833 -14.849 5.201 26 HA LYS 5 HA LYS 5 -21.157 -17.102 3.438 27 HB2 LYS 5 2HB LYS 5 -20.831 -14.404 2.849 28 HB3 LYS 5 1HB LYS 5 -19.231 -14.924 3.362 29 HG2 LYS 5 2HG LYS 5 -19.331 -15.194 1.015 30 HG3 LYS 5 1HG LYS 5 -19.421 -16.809 1.723 31 HD2 LYS 5 2HD LYS 5 -21.867 -16.764 1.461 32 HD3 LYS 5 1HD LYS 5 -21.748 -15.169 0.714 33 HE2 LYS 5 2HE LYS 5 -21.845 -16.534 -1.137 34 HE3 LYS 5 1HE LYS 5 -20.103 -16.377 -0.914 35 HZ1 LYS 5 3HZ LYS 5 -20.810 -18.675 -1.324 36 HZ2 LYS 5 1HZ LYS 5 -21.737 -18.645 0.087 37 HZ3 LYS 5 2HZ LYS 5 -20.056 -18.507 0.179 38 H THR 6 H THR 6 -18.872 -17.795 3.666 39 HA THR 6 HA THR 6 -18.213 -18.096 6.461 40 HB THR 6 HB THR 6 -16.347 -19.208 4.491 41 HG1 THR 6 HG1 THR 6 -19.022 -20.194 4.477 42 HG21 THR 6 3HG2 THR 6 -16.531 -19.882 6.889 43 HG22 THR 6 1HG2 THR 6 -16.685 -21.228 5.760 44 HG23 THR 6 2HG2 THR 6 -18.120 -20.556 6.531 45 H LYS 7 H LYS 7 -15.389 -18.368 6.226 46 HA LYS 7 HA LYS 7 -14.610 -15.630 6.467 47 HB2 LYS 7 2HB LYS 7 -12.430 -16.472 7.060 48 HB3 LYS 7 1HB LYS 7 -13.650 -17.450 7.863 49 HG2 LYS 7 2HG LYS 7 -13.320 -19.262 6.376 50 HG3 LYS 7 1HG LYS 7 -12.369 -18.267 5.269 51 HD2 LYS 7 2HD LYS 7 -10.658 -18.008 7.055 52 HD3 LYS 7 1HD LYS 7 -11.587 -19.128 8.053 53 HE2 LYS 7 2HE LYS 7 -11.341 -20.845 6.299 54 HE3 LYS 7 1HE LYS 7 -10.347 -19.722 5.369 55 HZ1 LYS 7 3HZ LYS 7 -9.062 -21.340 6.691 56 HZ2 LYS 7 1HZ LYS 7 -9.692 -20.660 8.107 57 HZ3 LYS 7 2HZ LYS 7 -8.709 -19.738 7.084 58 H LYS 8 H LYS 8 -12.823 -14.659 5.299 59 HA LYS 8 HA LYS 8 -12.951 -15.332 2.455 60 HB2 LYS 8 2HB LYS 8 -11.888 -13.043 2.190 61 HB3 LYS 8 1HB LYS 8 -13.525 -13.070 2.832 62 HG2 LYS 8 2HG LYS 8 -12.067 -13.145 5.131 63 HG3 LYS 8 1HG LYS 8 -11.022 -12.175 4.087 64 HD2 LYS 8 2HD LYS 8 -12.809 -10.614 3.663 65 HD3 LYS 8 1HD LYS 8 -13.960 -11.632 4.528 66 HE2 LYS 8 2HE LYS 8 -12.723 -11.276 6.603 67 HE3 LYS 8 1HE LYS 8 -11.564 -10.264 5.744 68 HZ1 LYS 8 3HZ LYS 8 -14.462 -9.686 6.019 69 HZ2 LYS 8 1HZ LYS 8 -13.322 -8.701 5.251 70 HZ3 LYS 8 2HZ LYS 8 -13.236 -8.951 6.919 71 H GLN 9 H GLN 9 -11.161 -15.825 1.263 72 HA GLN 9 HA GLN 9 -8.810 -16.636 2.747 73 HB2 GLN 9 2HB GLN 9 -9.323 -16.930 -0.222 74 HB3 GLN 9 1HB GLN 9 -8.127 -17.788 0.733 75 HG2 GLN 9 2HG GLN 9 -9.817 -19.348 0.404 76 HG3 GLN 9 1HG GLN 9 -10.113 -18.742 2.034 77 HE21 GLN 9 1HE2 GLN 9 -12.297 -19.366 1.925 78 HE22 GLN 9 2HE2 GLN 9 -13.448 -18.475 0.995 79 H GLN 10 H GLN 10 -9.358 -14.773 -0.246 80 HA GLN 10 HA GLN 10 -7.141 -13.004 0.531 81 HB2 GLN 10 2HB GLN 10 -7.730 -13.827 -2.314 82 HB3 GLN 10 1HB GLN 10 -6.362 -12.893 -1.737 83 HG2 GLN 10 2HG GLN 10 -5.223 -14.725 -1.049 84 HG3 GLN 10 1HG GLN 10 -6.689 -15.612 -0.632 85 HE21 GLN 10 1HE2 GLN 10 -4.491 -14.734 -3.179 86 HE22 GLN 10 2HE2 GLN 10 -5.064 -15.898 -4.330 87 H TYR 11 H TYR 11 -8.216 -11.181 1.059 88 HA TYR 11 HA TYR 11 -10.408 -10.342 -0.705 89 HB2 TYR 11 2HB TYR 11 -10.468 -10.666 1.998 90 HB3 TYR 11 1HB TYR 11 -10.091 -8.951 1.870 91 HD1 TYR 11 HD2 TYR 11 -12.546 -11.549 0.952 92 HD2 TYR 11 HD1 TYR 11 -11.746 -7.380 1.192 93 HE1 TYR 11 HE2 TYR 11 -14.923 -11.079 0.545 94 HE2 TYR 11 HE1 TYR 11 -14.118 -6.897 0.778 95 HH TYR 11 HH TYR 11 -16.058 -7.969 -0.246 96 H VAL 12 H VAL 12 -10.383 -8.400 -1.678 97 HA VAL 12 HA VAL 12 -8.223 -6.532 -1.043 98 HB VAL 12 HB VAL 12 -7.364 -7.782 -2.933 99 HG11 VAL 12 1HG1 VAL 12 -9.915 -7.051 -4.362 100 HG12 VAL 12 2HG1 VAL 12 -9.455 -8.662 -3.811 101 HG13 VAL 12 3HG1 VAL 12 -8.526 -7.867 -5.082 102 HG21 VAL 12 3HG2 VAL 12 -8.364 -5.061 -3.770 103 HG22 VAL 12 1HG2 VAL 12 -7.076 -5.964 -4.567 104 HG23 VAL 12 2HG2 VAL 12 -6.867 -5.409 -2.906 105 H THR 13 H THR 13 -8.841 -4.448 -1.071 106 HA THR 13 HA THR 13 -11.206 -3.626 -2.522 107 HB THR 13 HB THR 13 -12.089 -4.437 -0.341 108 HG1 THR 13 HG1 THR 13 -12.836 -1.998 0.147 109 HG21 THR 13 3HG2 THR 13 -10.452 -2.178 0.814 110 HG22 THR 13 1HG2 THR 13 -10.178 -3.900 1.082 111 HG23 THR 13 2HG2 THR 13 -11.645 -3.135 1.689 112 H ILE 14 H ILE 14 -11.265 -1.434 -2.936 113 HA ILE 14 HA ILE 14 -9.088 0.210 -1.860 114 HB ILE 14 HB ILE 14 -9.785 0.184 -4.802 115 HG12 ILE 14 2HG1 ILE 14 -7.259 -0.934 -3.596 116 HG13 ILE 14 1HG1 ILE 14 -8.663 -1.945 -3.920 117 HG21 ILE 14 1HG2 ILE 14 -8.839 2.226 -4.517 118 HG22 ILE 14 2HG2 ILE 14 -7.361 1.281 -4.678 119 HG23 ILE 14 3HG2 ILE 14 -7.945 1.730 -3.078 120 HD11 ILE 14 3HD1 ILE 14 -7.125 -0.353 -5.960 121 HD12 ILE 14 1HD1 ILE 14 -8.535 -1.363 -6.286 122 HD13 ILE 14 2HD1 ILE 14 -7.038 -2.096 -5.711 123 H LYS 15 H LYS 15 -10.370 1.553 -0.691 124 HA LYS 15 HA LYS 15 -12.819 2.616 -1.816 125 HB2 LYS 15 2HB LYS 15 -12.593 1.993 0.610 126 HB3 LYS 15 1HB LYS 15 -11.485 3.346 0.796 127 HG2 LYS 15 2HG LYS 15 -13.221 4.930 0.280 128 HG3 LYS 15 1HG LYS 15 -14.335 3.634 -0.164 129 HD2 LYS 15 2HD LYS 15 -14.978 4.305 2.006 130 HD3 LYS 15 1HD LYS 15 -14.084 2.801 2.224 131 HE2 LYS 15 2HE LYS 15 -12.098 4.038 2.881 132 HE3 LYS 15 1HE LYS 15 -12.917 5.565 2.565 133 HZ1 LYS 15 3HZ LYS 15 -13.536 3.597 4.693 134 HZ2 LYS 15 1HZ LYS 15 -14.549 4.894 4.311 135 HZ3 LYS 15 2HZ LYS 15 -12.991 5.188 4.883 136 H GLY 16 H GLY 16 -11.944 3.729 -3.605 137 HA2 GLY 16 2HA GLY 16 -10.707 6.313 -2.876 138 HA3 GLY 16 1HA GLY 16 -10.206 5.406 -4.296 139 H THR 17 H THR 17 -12.741 7.324 -2.873 140 HA THR 17 HA THR 17 -13.607 8.223 -5.436 141 HB THR 17 HB THR 17 -14.988 6.399 -5.699 142 HG1 THR 17 HG1 THR 17 -17.153 7.087 -4.875 143 HG21 THR 17 3HG2 THR 17 -16.098 5.159 -3.970 144 HG22 THR 17 1HG2 THR 17 -15.708 6.386 -2.767 145 HG23 THR 17 2HG2 THR 17 -14.425 5.404 -3.471 146 H LYS 18 H LYS 18 -15.027 7.872 -2.169 147 HA LYS 18 HA LYS 18 -15.187 10.810 -2.054 148 HB2 LYS 18 2HB LYS 18 -17.127 8.821 -0.850 149 HB3 LYS 18 1HB LYS 18 -17.246 10.571 -0.736 150 HG2 LYS 18 2HG LYS 18 -17.355 9.016 -3.316 151 HG3 LYS 18 1HG LYS 18 -18.767 9.587 -2.423 152 HD2 LYS 18 2HD LYS 18 -18.301 11.820 -2.882 153 HD3 LYS 18 1HD LYS 18 -16.608 11.494 -3.245 154 HE2 LYS 18 2HE LYS 18 -18.862 10.457 -4.941 155 HE3 LYS 18 1HE LYS 18 -18.107 12.025 -5.217 156 HZ1 LYS 18 3HZ LYS 18 -17.141 10.308 -6.609 157 HZ2 LYS 18 1HZ LYS 18 -16.701 9.407 -5.244 158 HZ3 LYS 18 2HZ LYS 18 -15.991 10.919 -5.533 159 H ASN 19 H ASN 19 -12.937 9.830 -1.265 160 HA ASN 19 HA ASN 19 -12.720 10.479 1.462 161 HB2 ASN 19 2HB ASN 19 -13.626 8.006 1.417 162 HB3 ASN 19 1HB ASN 19 -11.965 7.611 0.989 163 HD21 ASN 19 1HD2 ASN 19 -12.991 10.223 3.143 164 HD22 ASN 19 2HD2 ASN 19 -12.262 9.554 4.569 165 H GLY 20 H GLY 20 -10.296 9.247 2.059 166 HA2 GLY 20 2HA GLY 20 -8.571 10.638 0.207 167 HA3 GLY 20 1HA GLY 20 -8.082 9.839 1.697 168 H LEU 21 H LEU 21 -7.609 7.622 1.672 169 HA LEU 21 HA LEU 21 -7.774 6.108 -0.762 170 HB2 LEU 21 2HB LEU 21 -5.817 7.510 -1.215 171 HB3 LEU 21 1HB LEU 21 -5.078 6.973 0.281 172 HG LEU 21 HG LEU 21 -5.270 4.605 -0.751 173 HD11 LEU 21 1HD1 LEU 21 -5.237 4.510 -3.148 174 HD12 LEU 21 2HD1 LEU 21 -5.323 6.267 -3.266 175 HD13 LEU 21 3HD1 LEU 21 -6.700 5.356 -2.645 176 HD21 LEU 21 3HD2 LEU 21 -3.101 4.898 -1.839 177 HD22 LEU 21 1HD2 LEU 21 -3.174 5.752 -0.300 178 HD23 LEU 21 2HD2 LEU 21 -3.325 6.647 -1.813 179 H THR 22 H THR 22 -8.888 4.655 0.572 180 HA THR 22 HA THR 22 -7.241 3.333 2.620 181 HB THR 22 HB THR 22 -10.171 2.859 2.530 182 HG1 THR 22 HG1 THR 22 -8.938 5.322 3.187 183 HG21 THR 22 3HG2 THR 22 -9.890 2.796 4.949 184 HG22 THR 22 1HG2 THR 22 -8.217 3.328 4.783 185 HG23 THR 22 2HG2 THR 22 -8.703 1.750 4.166 186 H LEU 23 H LEU 23 -6.223 1.788 1.428 187 HA LEU 23 HA LEU 23 -7.970 -0.133 0.045 188 HB2 LEU 23 2HB LEU 23 -6.150 -0.658 -1.467 189 HB3 LEU 23 1HB LEU 23 -6.526 1.051 -1.542 190 HG LEU 23 HG LEU 23 -4.307 0.193 0.255 191 HD11 LEU 23 1HD1 LEU 23 -4.097 0.377 -2.749 192 HD12 LEU 23 2HD1 LEU 23 -3.844 -1.065 -1.767 193 HD13 LEU 23 3HD1 LEU 23 -2.730 0.295 -1.637 194 HD21 LEU 23 3HD2 LEU 23 -4.954 2.516 0.222 195 HD22 LEU 23 1HD2 LEU 23 -4.809 2.562 -1.535 196 HD23 LEU 23 2HD2 LEU 23 -3.372 2.339 -0.538 197 H HIS 24 H HIS 24 -7.541 -2.309 0.295 198 HA HIS 24 HA HIS 24 -5.472 -3.094 2.199 199 HB2 HIS 24 2HB HIS 24 -7.193 -2.892 3.765 200 HB3 HIS 24 1HB HIS 24 -8.432 -3.372 2.614 201 HD1 HIS 24 HD1 HIS 24 -9.413 -5.534 3.238 202 HD2 HIS 24 HD2 HIS 24 -5.369 -5.369 4.198 203 HE1 HIS 24 HE1 HIS 24 -8.854 -7.786 4.204 204 H LEU 25 H LEU 25 -4.444 -4.857 1.479 205 HA LEU 25 HA LEU 25 -5.892 -6.687 -0.316 206 HB2 LEU 25 2HB LEU 25 -4.366 -5.419 -1.678 207 HB3 LEU 25 1HB LEU 25 -3.052 -5.681 -0.546 208 HG LEU 25 HG LEU 25 -3.091 -8.098 -1.098 209 HD11 LEU 25 1HD1 LEU 25 -5.395 -8.331 -1.781 210 HD12 LEU 25 2HD1 LEU 25 -4.332 -8.823 -3.098 211 HD13 LEU 25 3HD1 LEU 25 -5.129 -7.251 -3.150 212 HD21 LEU 25 3HD2 LEU 25 -2.801 -6.344 -3.533 213 HD22 LEU 25 1HD2 LEU 25 -2.028 -7.903 -3.247 214 HD23 LEU 25 2HD2 LEU 25 -1.588 -6.509 -2.263 215 H ASP 26 H ASP 26 -5.994 -8.685 0.495 216 HA ASP 26 HA ASP 26 -3.977 -9.482 2.488 217 HB2 ASP 26 2HB ASP 26 -6.780 -9.516 2.628 218 HB3 ASP 26 1HB ASP 26 -6.311 -11.198 2.401 219 H ASP 27 H ASP 27 -2.701 -9.910 0.477 220 HA ASP 27 HA ASP 27 -3.124 -12.687 -0.364 221 HB2 ASP 27 2HB ASP 27 -4.043 -11.145 -2.122 222 HB3 ASP 27 1HB ASP 27 -2.435 -10.453 -2.295 223 H ALA 28 H ALA 28 -1.255 -13.852 -0.401 224 HA ALA 28 HA ALA 28 1.281 -12.360 -0.150 225 HB1 ALA 28 1HB ALA 28 2.065 -14.031 1.436 226 HB2 ALA 28 2HB ALA 28 0.528 -14.888 1.314 227 HB3 ALA 28 3HB ALA 28 0.581 -13.271 2.015 228 H CYS 29 H CYS 29 3.174 -13.554 -0.809 229 HA CYS 29 HA CYS 29 4.407 -14.687 -2.336 230 HB2 CYS 29 2HB CYS 29 2.306 -16.845 -2.152 231 HB3 CYS 29 1HB CYS 29 4.013 -17.032 -2.542 232 HG CYS 29 HG CYS 29 2.558 -16.536 0.482 233 H SER 30 H SER 30 2.939 -12.811 -3.581 234 HA SER 30 HA SER 30 2.645 -13.896 -6.210 235 HB2 SER 30 2HB SER 30 0.407 -14.340 -5.008 236 HB3 SER 30 1HB SER 30 0.160 -12.599 -5.097 237 HG SER 30 HG SER 30 -0.315 -14.390 -6.967 238 H PHE 31 H PHE 31 1.346 -11.917 -7.503 239 HA PHE 31 HA PHE 31 2.693 -9.419 -6.719 240 HB2 PHE 31 2HB PHE 31 3.084 -9.054 -9.215 241 HB3 PHE 31 1HB PHE 31 4.102 -10.255 -8.429 242 HD1 PHE 31 HD1 PHE 31 1.300 -9.746 -10.747 243 HD2 PHE 31 HD2 PHE 31 3.956 -12.570 -8.994 244 HE1 PHE 31 HE1 PHE 31 0.621 -11.411 -12.420 245 HE2 PHE 31 HE2 PHE 31 3.282 -14.245 -10.671 246 HZ PHE 31 HZ PHE 31 1.613 -13.668 -12.384 247 H ASP 32 H ASP 32 1.811 -7.528 -7.968 248 HA ASP 32 HA ASP 32 -0.700 -7.627 -9.234 249 HB2 ASP 32 2HB ASP 32 -1.348 -8.170 -6.799 250 HB3 ASP 32 1HB ASP 32 -0.926 -6.498 -6.441 251 H GLU 33 H GLU 33 0.174 -6.173 -10.627 252 HA GLU 33 HA GLU 33 1.312 -3.693 -9.640 253 HB2 GLU 33 2HB GLU 33 1.910 -3.234 -11.931 254 HB3 GLU 33 1HB GLU 33 2.339 -4.893 -11.548 255 HG2 GLU 33 2HG GLU 33 -0.087 -5.323 -12.572 256 HG3 GLU 33 1HG GLU 33 0.318 -3.836 -13.425 257 H LEU 34 H LEU 34 -1.741 -4.622 -9.857 258 HA LEU 34 HA LEU 34 -2.764 -2.256 -11.218 259 HB2 LEU 34 2HB LEU 34 -4.032 -4.752 -10.134 260 HB3 LEU 34 1HB LEU 34 -5.016 -3.340 -10.461 261 HG LEU 34 HG LEU 34 -5.244 -4.640 -12.379 262 HD11 LEU 34 1HD1 LEU 34 -4.556 -2.259 -12.785 263 HD12 LEU 34 2HD1 LEU 34 -4.305 -3.365 -14.133 264 HD13 LEU 34 3HD1 LEU 34 -2.940 -2.866 -13.136 265 HD21 LEU 34 3HD2 LEU 34 -3.560 -6.299 -11.933 266 HD22 LEU 34 1HD2 LEU 34 -2.276 -5.137 -12.256 267 HD23 LEU 34 2HD2 LEU 34 -3.331 -5.671 -13.563 268 H LEU 35 H LEU 35 -2.570 -3.716 -8.037 269 HA LEU 35 HA LEU 35 -4.186 -1.990 -6.589 270 HB2 LEU 35 2HB LEU 35 -3.100 -4.124 -5.805 271 HB3 LEU 35 1HB LEU 35 -1.616 -3.215 -5.590 272 HG LEU 35 HG LEU 35 -3.123 -1.676 -4.085 273 HD11 LEU 35 1HD1 LEU 35 -4.859 -2.928 -2.911 274 HD12 LEU 35 2HD1 LEU 35 -4.604 -4.302 -3.988 275 HD13 LEU 35 3HD1 LEU 35 -5.231 -2.782 -4.629 276 HD21 LEU 35 3HD2 LEU 35 -1.204 -2.885 -3.269 277 HD22 LEU 35 1HD2 LEU 35 -2.111 -4.396 -3.268 278 HD23 LEU 35 2HD2 LEU 35 -2.547 -3.108 -2.147 279 H ASP 36 H ASP 36 -0.653 -1.742 -7.082 280 HA ASP 36 HA ASP 36 -0.436 0.748 -5.741 281 HB2 ASP 36 2HB ASP 36 1.837 0.797 -6.445 282 HB3 ASP 36 1HB ASP 36 1.455 -0.891 -6.130 283 H GLY 37 H GLY 37 -1.048 -0.151 -9.062 284 HA2 GLY 37 2HA GLY 37 -0.558 2.339 -10.280 285 HA3 GLY 37 1HA GLY 37 -1.638 1.096 -10.899 286 H LEU 38 H LEU 38 -3.567 0.930 -9.026 287 HA LEU 38 HA LEU 38 -5.159 3.222 -9.565 288 HB2 LEU 38 2HB LEU 38 -5.496 0.706 -8.013 289 HB3 LEU 38 1HB LEU 38 -6.561 2.038 -7.608 290 HG LEU 38 HG LEU 38 -7.332 2.119 -9.955 291 HD11 LEU 38 1HD1 LEU 38 -5.695 -0.386 -10.328 292 HD12 LEU 38 2HD1 LEU 38 -5.301 1.195 -11.002 293 HD13 LEU 38 3HD1 LEU 38 -6.768 0.361 -11.512 294 HD21 LEU 38 3HD2 LEU 38 -8.570 -0.032 -9.905 295 HD22 LEU 38 1HD2 LEU 38 -8.628 0.860 -8.384 296 HD23 LEU 38 2HD2 LEU 38 -7.563 -0.536 -8.548 297 H GLN 39 H GLN 39 -3.437 2.055 -6.726 298 HA GLN 39 HA GLN 39 -4.301 3.868 -4.813 299 HB2 GLN 39 2HB GLN 39 -3.030 2.021 -4.090 300 HB3 GLN 39 1HB GLN 39 -1.723 2.372 -5.210 301 HG2 GLN 39 2HG GLN 39 -1.922 4.614 -3.552 302 HG3 GLN 39 1HG GLN 39 -2.069 3.208 -2.494 303 HE21 GLN 39 1HE2 GLN 39 -0.342 1.779 -2.317 304 HE22 GLN 39 2HE2 GLN 39 1.247 2.181 -2.857 305 H ASN 40 H ASN 40 -1.505 4.124 -6.988 306 HA ASN 40 HA ASN 40 -0.712 6.690 -6.080 307 HB2 ASN 40 2HB ASN 40 0.724 5.006 -7.317 308 HB3 ASN 40 1HB ASN 40 -0.104 5.498 -8.789 309 HD21 ASN 40 1HD2 ASN 40 2.036 6.513 -6.235 310 HD22 ASN 40 2HD2 ASN 40 2.700 7.871 -7.070 311 H MET 41 H MET 41 -2.768 5.609 -8.744 312 HA MET 41 HA MET 41 -3.026 8.142 -9.979 313 HB2 MET 41 2HB MET 41 -4.550 5.576 -10.121 314 HB3 MET 41 1HB MET 41 -5.227 7.019 -10.859 315 HG2 MET 41 2HG MET 41 -2.577 5.747 -11.507 316 HG3 MET 41 1HG MET 41 -4.027 5.735 -12.505 317 HE1 MET 41 3HE MET 41 -5.122 8.693 -12.230 318 HE2 MET 41 1HE MET 41 -4.984 7.844 -13.771 319 HE3 MET 41 2HE MET 41 -4.329 9.472 -13.598 320 H LEU 42 H LEU 42 -5.149 6.430 -7.676 321 HA LEU 42 HA LEU 42 -7.198 8.325 -7.584 322 HB2 LEU 42 2HB LEU 42 -6.202 6.401 -5.494 323 HB3 LEU 42 1HB LEU 42 -7.641 7.380 -5.282 324 HG LEU 42 HG LEU 42 -7.327 5.496 -7.609 325 HD11 LEU 42 1HD1 LEU 42 -7.101 4.084 -5.720 326 HD12 LEU 42 2HD1 LEU 42 -8.782 3.958 -6.243 327 HD13 LEU 42 3HD1 LEU 42 -8.365 4.942 -4.840 328 HD21 LEU 42 3HD2 LEU 42 -9.766 5.629 -7.651 329 HD22 LEU 42 1HD2 LEU 42 -9.040 7.231 -7.798 330 HD23 LEU 42 2HD2 LEU 42 -9.737 6.715 -6.262 331 H SER 43 H SER 43 -4.240 8.128 -5.655 332 HA SER 43 HA SER 43 -4.802 10.219 -3.877 333 HB2 SER 43 2HB SER 43 -2.089 9.350 -4.896 334 HB3 SER 43 1HB SER 43 -2.417 10.226 -3.401 335 HG SER 43 HG SER 43 -2.948 7.540 -4.050 336 H ILE 44 H ILE 44 -3.427 10.230 -7.119 337 HA ILE 44 HA ILE 44 -2.787 13.040 -7.017 338 HB ILE 44 HB ILE 44 -2.758 11.057 -9.295 339 HG12 ILE 44 2HG1 ILE 44 -0.480 12.382 -7.811 340 HG13 ILE 44 1HG1 ILE 44 -1.093 10.778 -7.432 341 HG21 ILE 44 1HG2 ILE 44 -1.580 12.725 -10.608 342 HG22 ILE 44 2HG2 ILE 44 -1.718 13.888 -9.289 343 HG23 ILE 44 3HG2 ILE 44 -3.166 13.334 -10.131 344 HD11 ILE 44 3HD1 ILE 44 0.944 10.746 -8.800 345 HD12 ILE 44 1HD1 ILE 44 0.074 11.590 -10.081 346 HD13 ILE 44 2HD1 ILE 44 -0.425 9.969 -9.595 347 H GLU 45 H GLU 45 -5.438 11.042 -8.033 348 HA GLU 45 HA GLU 45 -6.775 12.896 -9.689 349 HB2 GLU 45 2HB GLU 45 -7.622 10.457 -8.172 350 HB3 GLU 45 1HB GLU 45 -8.839 11.481 -8.918 351 HG2 GLU 45 2HG GLU 45 -7.520 11.210 -11.072 352 HG3 GLU 45 1HG GLU 45 -6.652 9.918 -10.242 353 H GLN 46 H GLN 46 -7.847 11.856 -6.451 354 HA GLN 46 HA GLN 46 -8.058 14.524 -5.469 355 HB2 GLN 46 2HB GLN 46 -9.995 14.689 -6.875 356 HB3 GLN 46 1HB GLN 46 -10.590 13.121 -6.340 357 HG2 GLN 46 2HG GLN 46 -10.322 14.595 -3.995 358 HG3 GLN 46 1HG GLN 46 -10.992 15.738 -5.162 359 HE21 GLN 46 1HE2 GLN 46 -11.418 12.490 -3.836 360 HE22 GLN 46 2HE2 GLN 46 -13.143 12.460 -4.004 361 H TYR 47 H TYR 47 -7.130 13.915 -3.584 362 HA TYR 47 HA TYR 47 -8.299 11.674 -2.107 363 HB2 TYR 47 2HB TYR 47 -6.363 11.797 -0.662 364 HB3 TYR 47 1HB TYR 47 -5.809 11.836 -2.329 365 HD1 TYR 47 HD1 TYR 47 -4.817 13.863 -3.264 366 HD2 TYR 47 HD2 TYR 47 -6.138 13.746 0.778 367 HE1 TYR 47 HE1 TYR 47 -3.570 15.929 -2.801 368 HE2 TYR 47 HE2 TYR 47 -4.891 15.814 1.249 369 HH TYR 47 HH TYR 47 -3.745 17.831 -1.127 370 H THR 48 H THR 48 -8.759 14.911 -2.451 371 HA THR 48 HA THR 48 -9.272 15.550 0.321 372 HB THR 48 HB THR 48 -10.154 17.385 -1.836 373 HG1 THR 48 HG1 THR 48 -8.028 17.966 -2.327 374 HG21 THR 48 3HG2 THR 48 -10.263 18.009 0.542 375 HG22 THR 48 1HG2 THR 48 -9.155 19.050 -0.353 376 HG23 THR 48 2HG2 THR 48 -8.522 17.768 0.676 377 H ASP 49 H ASP 49 -11.047 14.580 1.129 378 HA ASP 49 HA ASP 49 -13.544 14.699 -0.415 379 HB2 ASP 49 2HB ASP 49 -14.336 12.857 0.904 380 HB3 ASP 49 1HB ASP 49 -12.715 12.451 0.356 381 H GLY 50 H GLY 50 -15.427 14.527 1.503 382 HA2 GLY 50 2HA GLY 50 -14.947 16.945 3.135 383 HA3 GLY 50 1HA GLY 50 -16.498 16.550 2.407 384 H LYS 51 H LYS 51 -14.514 14.084 3.863 385 HA LYS 51 HA LYS 51 -16.291 14.060 6.212 386 HB2 LYS 51 2HB LYS 51 -15.489 11.720 4.478 387 HB3 LYS 51 1HB LYS 51 -16.150 11.529 6.094 388 HG2 LYS 51 2HG LYS 51 -18.109 11.385 5.023 389 HG3 LYS 51 1HG LYS 51 -18.010 13.144 4.980 390 HD2 LYS 51 2HD LYS 51 -16.950 13.008 2.759 391 HD3 LYS 51 1HD LYS 51 -17.126 11.252 2.802 392 HE2 LYS 51 2HE LYS 51 -19.336 13.302 2.814 393 HE3 LYS 51 1HE LYS 51 -18.916 12.206 1.500 394 HZ1 LYS 51 3HZ LYS 51 -20.814 11.361 2.662 395 HZ2 LYS 51 1HZ LYS 51 -20.020 11.451 4.150 396 HZ3 LYS 51 2HZ LYS 51 -19.502 10.345 2.981 397 H GLY 52 H GLY 52 -13.341 12.570 4.865 398 HA2 GLY 52 2HA GLY 52 -11.512 13.492 6.694 399 HA3 GLY 52 1HA GLY 52 -12.221 12.077 7.461 400 H GLN 53 H GLN 53 -10.273 13.253 4.872 401 HA GLN 53 HA GLN 53 -9.956 11.016 3.304 402 HB2 GLN 53 2HB GLN 53 -7.752 12.000 2.643 403 HB3 GLN 53 1HB GLN 53 -9.115 13.097 2.521 404 HG2 GLN 53 2HG GLN 53 -7.307 13.086 4.916 405 HG3 GLN 53 1HG GLN 53 -6.916 13.994 3.462 406 HE21 GLN 53 1HE2 GLN 53 -9.836 14.522 3.017 407 HE22 GLN 53 2HE2 GLN 53 -10.222 15.787 4.130 408 H LYS 54 H LYS 54 -9.766 9.111 4.331 409 HA LYS 54 HA LYS 54 -7.607 8.678 6.215 410 HB2 LYS 54 2HB LYS 54 -9.865 7.716 6.619 411 HB3 LYS 54 1HB LYS 54 -9.669 6.727 5.179 412 HG2 LYS 54 2HG LYS 54 -7.667 5.695 6.231 413 HG3 LYS 54 1HG LYS 54 -8.035 6.596 7.703 414 HD2 LYS 54 2HD LYS 54 -10.054 4.783 6.413 415 HD3 LYS 54 1HD LYS 54 -8.851 4.173 7.554 416 HE2 LYS 54 2HE LYS 54 -10.855 6.360 8.108 417 HE3 LYS 54 1HE LYS 54 -10.981 4.692 8.654 418 HZ1 LYS 54 3HZ LYS 54 -9.633 6.821 9.871 419 HZ2 LYS 54 1HZ LYS 54 -8.487 5.659 9.434 420 HZ3 LYS 54 2HZ LYS 54 -9.790 5.230 10.418 421 H ILE 55 H ILE 55 -5.781 8.832 4.981 422 HA ILE 55 HA ILE 55 -5.469 7.086 2.660 423 HB ILE 55 HB ILE 55 -3.422 8.987 3.823 424 HG12 ILE 55 2HG1 ILE 55 -5.384 9.526 1.581 425 HG13 ILE 55 1HG1 ILE 55 -5.540 10.159 3.216 426 HG21 ILE 55 1HG2 ILE 55 -2.757 7.126 2.191 427 HG22 ILE 55 2HG2 ILE 55 -2.252 8.771 1.802 428 HG23 ILE 55 3HG2 ILE 55 -3.635 8.057 0.977 429 HD11 ILE 55 3HD1 ILE 55 -4.635 11.828 1.717 430 HD12 ILE 55 1HD1 ILE 55 -3.309 10.750 1.288 431 HD13 ILE 55 2HD1 ILE 55 -3.437 11.378 2.931 432 H SER 56 H SER 56 -5.818 5.330 4.359 433 HA SER 56 HA SER 56 -3.289 4.695 5.705 434 HB2 SER 56 2HB SER 56 -6.045 3.602 6.304 435 HB3 SER 56 1HB SER 56 -4.574 3.321 7.238 436 HG SER 56 HG SER 56 -5.044 5.974 6.869 437 H VAL 57 H VAL 57 -2.171 3.635 4.157 438 HA VAL 57 HA VAL 57 -3.369 1.569 2.550 439 HB VAL 57 HB VAL 57 -0.416 2.108 2.902 440 HG11 VAL 57 1HG1 VAL 57 -0.278 1.153 0.636 441 HG12 VAL 57 2HG1 VAL 57 -2.009 0.821 0.693 442 HG13 VAL 57 3HG1 VAL 57 -0.919 0.012 1.820 443 HG21 VAL 57 3HG2 VAL 57 -1.456 4.198 2.286 444 HG22 VAL 57 1HG2 VAL 57 -2.345 3.409 0.986 445 HG23 VAL 57 2HG2 VAL 57 -0.590 3.541 0.898 446 H HIS 58 H HIS 58 -4.081 -0.070 3.831 447 HA HIS 58 HA HIS 58 -2.137 -1.293 5.673 448 HB2 HIS 58 2HB HIS 58 -5.145 -1.171 5.739 449 HB3 HIS 58 1HB HIS 58 -4.263 -2.394 6.647 450 HD1 HIS 58 HD1 HIS 58 -5.473 -1.092 8.702 451 HD2 HIS 58 HD2 HIS 58 -2.399 0.915 6.755 452 HE1 HIS 58 HE1 HIS 58 -4.770 0.746 10.264 453 H VAL 59 H VAL 59 -1.096 -2.712 4.380 454 HA VAL 59 HA VAL 59 -2.771 -4.644 2.932 455 HB VAL 59 HB VAL 59 -0.651 -5.169 1.642 456 HG11 VAL 59 1HG1 VAL 59 -0.947 -3.274 0.109 457 HG12 VAL 59 2HG1 VAL 59 -1.858 -2.422 1.353 458 HG13 VAL 59 3HG1 VAL 59 -2.492 -3.915 0.669 459 HG21 VAL 59 3HG2 VAL 59 0.889 -4.038 3.253 460 HG22 VAL 59 1HG2 VAL 59 0.262 -2.491 2.684 461 HG23 VAL 59 2HG2 VAL 59 1.120 -3.556 1.573 462 H LYS 60 H LYS 60 -2.276 -6.821 3.019 463 HA LYS 60 HA LYS 60 -0.570 -7.636 5.279 464 HB2 LYS 60 2HB LYS 60 -3.213 -7.876 5.356 465 HB3 LYS 60 1HB LYS 60 -2.891 -9.291 4.368 466 HG2 LYS 60 2HG LYS 60 -2.094 -10.468 6.091 467 HG3 LYS 60 1HG LYS 60 -1.218 -9.093 6.760 468 HD2 LYS 60 2HD LYS 60 -4.208 -9.309 6.946 469 HD3 LYS 60 1HD LYS 60 -3.145 -10.063 8.136 470 HE2 LYS 60 2HE LYS 60 -2.206 -7.937 8.732 471 HE3 LYS 60 1HE LYS 60 -3.064 -7.133 7.420 472 HZ1 LYS 60 3HZ LYS 60 -4.151 -8.215 9.939 473 HZ2 LYS 60 1HZ LYS 60 -5.155 -7.975 8.601 474 HZ3 LYS 60 2HZ LYS 60 -4.331 -6.670 9.288 475 H LEU 61 H LEU 61 0.991 -7.557 3.431 476 HA LEU 61 HA LEU 61 0.708 -9.624 1.416 477 HB2 LEU 61 2HB LEU 61 3.114 -7.885 1.900 478 HB3 LEU 61 1HB LEU 61 2.639 -8.687 0.416 479 HG LEU 61 HG LEU 61 1.231 -6.332 1.676 480 HD11 LEU 61 1HD1 LEU 61 2.038 -5.098 -0.246 481 HD12 LEU 61 2HD1 LEU 61 2.868 -6.536 -0.840 482 HD13 LEU 61 3HD1 LEU 61 3.387 -5.777 0.665 483 HD21 LEU 61 3HD2 LEU 61 -0.182 -6.308 -0.270 484 HD22 LEU 61 1HD2 LEU 61 -0.292 -7.891 0.495 485 HD23 LEU 61 2HD2 LEU 61 0.680 -7.681 -0.960 486 H GLY 62 H GLY 62 2.411 -9.087 4.396 487 HA2 GLY 62 2HA GLY 62 3.534 -10.558 5.762 488 HA3 GLY 62 1HA GLY 62 2.967 -11.854 4.721 489 H ASN 63 H ASN 63 4.351 -12.762 3.277 490 HA ASN 63 HA ASN 63 7.083 -11.668 3.242 491 HB2 ASN 63 2HB ASN 63 7.913 -13.886 2.905 492 HB3 ASN 63 1HB ASN 63 6.771 -13.957 4.239 493 HD21 ASN 63 1HD2 ASN 63 7.728 -16.041 2.395 494 HD22 ASN 63 2HD2 ASN 63 6.305 -16.720 1.687 495 H ARG 64 H ARG 64 4.618 -11.163 1.525 496 HA ARG 64 HA ARG 64 5.009 -12.148 -1.071 497 HB2 ARG 64 2HB ARG 64 3.129 -10.629 0.093 498 HB3 ARG 64 1HB ARG 64 4.032 -9.368 -0.735 499 HG2 ARG 64 2HG ARG 64 3.724 -10.657 -2.858 500 HG3 ARG 64 1HG ARG 64 2.637 -11.731 -1.971 501 HD2 ARG 64 2HD ARG 64 1.468 -9.511 -1.272 502 HD3 ARG 64 1HD ARG 64 2.298 -8.843 -2.674 503 HE ARG 64 HE ARG 64 0.471 -11.159 -2.872 504 HH11 ARG 64 1HH1 ARG 64 1.537 -8.012 -3.980 505 HH12 ARG 64 2HH1 ARG 64 0.435 -7.967 -5.312 506 HH21 ARG 64 1HH2 ARG 64 -0.984 -11.113 -4.601 507 HH22 ARG 64 2HH2 ARG 64 -0.989 -9.751 -5.692 508 H PHE 65 H PHE 65 6.441 -9.489 0.660 509 HA PHE 65 HA PHE 65 8.183 -8.111 0.290 510 HB2 PHE 65 2HB PHE 65 9.299 -10.334 -0.225 511 HB3 PHE 65 1HB PHE 65 9.057 -9.960 -1.929 512 HD1 PHE 65 HD1 PHE 65 10.589 -8.607 1.174 513 HD2 PHE 65 HD2 PHE 65 10.630 -8.693 -3.080 514 HE1 PHE 65 HE1 PHE 65 12.671 -7.298 1.166 515 HE2 PHE 65 HE2 PHE 65 12.709 -7.383 -3.092 516 HZ PHE 65 HZ PHE 65 13.733 -6.684 -0.965 517 H LEU 66 H LEU 66 6.844 -6.446 -0.417 518 HA LEU 66 HA LEU 66 6.529 -6.087 -3.294 519 HB2 LEU 66 2HB LEU 66 4.681 -5.671 -1.551 520 HB3 LEU 66 1HB LEU 66 5.569 -4.218 -1.136 521 HG LEU 66 HG LEU 66 5.275 -3.368 -3.415 522 HD11 LEU 66 1HD1 LEU 66 3.801 -5.957 -3.842 523 HD12 LEU 66 2HD1 LEU 66 5.219 -5.365 -4.711 524 HD13 LEU 66 3HD1 LEU 66 3.660 -4.563 -4.914 525 HD21 LEU 66 3HD2 LEU 66 3.616 -2.813 -1.722 526 HD22 LEU 66 1HD2 LEU 66 2.701 -4.264 -2.133 527 HD23 LEU 66 2HD2 LEU 66 2.868 -2.964 -3.313 528 H TYR 67 H TYR 67 7.148 -4.012 -4.258 529 HA TYR 67 HA TYR 67 9.793 -3.278 -3.448 530 HB2 TYR 67 2HB TYR 67 8.021 -2.693 -5.751 531 HB3 TYR 67 1HB TYR 67 9.218 -1.465 -5.356 532 HD1 TYR 67 HD2 TYR 67 8.835 -5.068 -6.177 533 HD2 TYR 67 HD1 TYR 67 11.467 -1.733 -5.965 534 HE1 TYR 67 HE2 TYR 67 10.564 -6.362 -7.356 535 HE2 TYR 67 HE1 TYR 67 13.199 -3.018 -7.144 536 HH TYR 67 HH TYR 67 12.550 -5.963 -8.715 537 H LYS 68 H LYS 68 9.143 -2.564 -1.311 538 HA LYS 68 HA LYS 68 7.569 -0.382 -0.679 539 HB2 LYS 68 2HB LYS 68 8.508 -1.866 1.002 540 HB3 LYS 68 1HB LYS 68 10.135 -1.350 0.596 541 HG2 LYS 68 2HG LYS 68 8.689 0.985 1.273 542 HG3 LYS 68 1HG LYS 68 8.333 -0.225 2.508 543 HD2 LYS 68 2HD LYS 68 10.252 0.945 3.259 544 HD3 LYS 68 1HD LYS 68 10.833 -0.614 2.665 545 HE2 LYS 68 2HE LYS 68 11.364 0.488 0.489 546 HE3 LYS 68 1HE LYS 68 10.926 2.031 1.214 547 HZ1 LYS 68 3HZ LYS 68 13.390 1.089 1.170 548 HZ2 LYS 68 1HZ LYS 68 12.892 0.440 2.657 549 HZ3 LYS 68 2HZ LYS 68 12.820 2.119 2.396 550 H GLU 69 H GLU 69 10.768 -0.473 -2.042 551 HA GLU 69 HA GLU 69 11.712 2.075 -1.523 552 HB2 GLU 69 2HB GLU 69 12.072 0.630 -4.148 553 HB3 GLU 69 1HB GLU 69 13.141 1.828 -3.440 554 HG2 GLU 69 2HG GLU 69 12.745 -1.031 -2.663 555 HG3 GLU 69 1HG GLU 69 14.226 -0.184 -3.083 556 H GLN 70 H GLN 70 9.500 0.982 -4.048 557 HA GLN 70 HA GLN 70 9.368 3.466 -5.420 558 HB2 GLN 70 2HB GLN 70 7.345 1.220 -5.366 559 HB3 GLN 70 1HB GLN 70 7.414 2.524 -6.548 560 HG2 GLN 70 2HG GLN 70 9.673 0.577 -6.142 561 HG3 GLN 70 1HG GLN 70 8.360 0.299 -7.290 562 HE21 GLN 70 1HE2 GLN 70 8.215 1.591 -9.117 563 HE22 GLN 70 2HE2 GLN 70 9.538 2.558 -9.661 564 H GLU 71 H GLU 71 7.350 1.936 -2.952 565 HA GLU 71 HA GLU 71 5.372 3.944 -2.871 566 HB2 GLU 71 2HB GLU 71 6.226 1.942 -0.776 567 HB3 GLU 71 1HB GLU 71 4.757 2.907 -0.701 568 HG2 GLU 71 2HG GLU 71 3.804 1.788 -2.537 569 HG3 GLU 71 1HG GLU 71 5.346 1.073 -3.002 570 H GLU 72 H GLU 72 8.353 3.453 -1.045 571 HA GLU 72 HA GLU 72 7.953 5.538 0.812 572 HB2 GLU 72 2HB GLU 72 9.861 3.583 0.459 573 HB3 GLU 72 1HB GLU 72 10.751 5.057 0.105 574 HG2 GLU 72 2HG GLU 72 10.302 5.947 2.255 575 HG3 GLU 72 1HG GLU 72 9.112 4.692 2.597 576 H GLN 73 H GLN 73 9.682 5.495 -2.299 577 HA GLN 73 HA GLN 73 10.608 8.151 -2.135 578 HB2 GLN 73 2HB GLN 73 11.187 7.965 -4.457 579 HB3 GLN 73 1HB GLN 73 11.530 6.432 -3.671 580 HG2 GLN 73 2HG GLN 73 9.369 5.575 -4.552 581 HG3 GLN 73 1HG GLN 73 9.202 7.076 -5.457 582 HE21 GLN 73 1HE2 GLN 73 9.218 5.957 -7.425 583 HE22 GLN 73 2HE2 GLN 73 10.674 5.285 -8.071 584 H LEU 74 H LEU 74 7.533 6.842 -3.279 585 HA LEU 74 HA LEU 74 6.783 9.407 -4.386 586 HB2 LEU 74 2HB LEU 74 4.718 8.412 -5.047 587 HB3 LEU 74 1HB LEU 74 6.009 7.294 -5.427 588 HG LEU 74 HG LEU 74 5.287 6.280 -3.050 589 HD11 LEU 74 1HD1 LEU 74 3.532 7.953 -2.667 590 HD12 LEU 74 2HD1 LEU 74 2.861 6.329 -2.815 591 HD13 LEU 74 3HD1 LEU 74 2.739 7.459 -4.163 592 HD21 LEU 74 3HD2 LEU 74 3.942 5.787 -5.706 593 HD22 LEU 74 1HD2 LEU 74 3.875 4.697 -4.321 594 HD23 LEU 74 2HD2 LEU 74 5.418 5.025 -5.110 595 H THR 75 H THR 75 6.301 7.636 -1.419 596 HA THR 75 HA THR 75 4.173 9.209 -0.407 597 HB THR 75 HB THR 75 6.230 7.575 1.092 598 HG1 THR 75 HG1 THR 75 4.958 6.274 -0.230 599 HG21 THR 75 3HG2 THR 75 3.587 8.708 2.026 600 HG22 THR 75 1HG2 THR 75 5.187 9.221 2.573 601 HG23 THR 75 2HG2 THR 75 4.606 7.594 2.943 602 H GLU 76 H GLU 76 7.646 9.590 -0.437 603 HA GLU 76 HA GLU 76 8.037 11.460 1.561 604 HB2 GLU 76 2HB GLU 76 9.449 10.692 -0.894 605 HB3 GLU 76 1HB GLU 76 9.757 12.342 -0.378 606 HG2 GLU 76 2HG GLU 76 10.159 9.853 1.262 607 HG3 GLU 76 1HG GLU 76 11.414 10.863 0.545 608 H LEU 77 H LEU 77 6.602 11.923 -1.579 609 HA LEU 77 HA LEU 77 6.796 14.750 -1.668 610 HB2 LEU 77 2HB LEU 77 5.165 12.689 -3.077 611 HB3 LEU 77 1HB LEU 77 4.670 14.366 -3.195 612 HG LEU 77 HG LEU 77 6.927 14.923 -4.096 613 HD11 LEU 77 1HD1 LEU 77 8.190 13.076 -3.149 614 HD12 LEU 77 2HD1 LEU 77 8.349 13.100 -4.904 615 HD13 LEU 77 3HD1 LEU 77 7.280 11.929 -4.131 616 HD21 LEU 77 3HD2 LEU 77 5.397 12.821 -5.623 617 HD22 LEU 77 1HD2 LEU 77 6.530 13.981 -6.312 618 HD23 LEU 77 2HD2 LEU 77 5.027 14.544 -5.581 619 H ILE 78 H ILE 78 4.432 12.528 -0.320 620 HA ILE 78 HA ILE 78 2.714 14.748 0.480 621 HB ILE 78 HB ILE 78 2.210 11.821 1.015 622 HG12 ILE 78 2HG1 ILE 78 0.575 12.510 -1.097 623 HG13 ILE 78 1HG1 ILE 78 2.088 13.311 -1.507 624 HG21 ILE 78 1HG2 ILE 78 0.857 13.424 2.294 625 HG22 ILE 78 2HG2 ILE 78 -0.128 12.516 1.145 626 HG23 ILE 78 3HG2 ILE 78 0.339 14.179 0.789 627 HD11 ILE 78 3HD1 ILE 78 1.923 11.095 -2.494 628 HD12 ILE 78 1HD1 ILE 78 1.772 10.386 -0.886 629 HD13 ILE 78 2HD1 ILE 78 3.266 11.198 -1.356 630 H ALA 79 H ALA 79 5.177 12.733 1.723 631 HA ALA 79 HA ALA 79 4.498 12.615 4.442 632 HB1 ALA 79 1HB ALA 79 6.612 11.777 4.796 633 HB2 ALA 79 2HB ALA 79 7.349 12.833 3.591 634 HB3 ALA 79 3HB ALA 79 6.392 11.443 3.080 635 H SER 80 H SER 80 6.088 15.115 2.547 636 HA SER 80 HA SER 80 6.956 16.702 4.726 637 HB2 SER 80 2HB SER 80 6.276 17.768 1.995 638 HB3 SER 80 1HB SER 80 7.533 18.312 3.106 639 HG SER 80 HG SER 80 8.124 16.902 1.218 640 H LYS 81 H LYS 81 3.895 16.160 3.368 641 HA LYS 81 HA LYS 81 2.762 18.335 4.974 642 HB2 LYS 81 2HB LYS 81 0.999 18.545 3.126 643 HB3 LYS 81 1HB LYS 81 2.580 19.245 2.803 644 HG2 LYS 81 2HG LYS 81 3.175 17.486 1.336 645 HG3 LYS 81 1HG LYS 81 1.827 16.480 1.876 646 HD2 LYS 81 2HD LYS 81 1.360 19.145 0.583 647 HD3 LYS 81 1HD LYS 81 1.622 17.692 -0.382 648 HE2 LYS 81 2HE LYS 81 -0.292 16.625 0.594 649 HE3 LYS 81 1HE LYS 81 -0.487 17.931 1.761 650 HZ1 LYS 81 3HZ LYS 81 -2.018 17.962 -0.215 651 HZ2 LYS 81 1HZ LYS 81 -0.676 18.363 -1.162 652 HZ3 LYS 81 2HZ LYS 81 -1.175 19.400 0.077 653 H LYS 82 H LYS 82 3.081 15.706 5.763 654 HA LYS 82 HA LYS 82 0.714 14.186 5.224 655 HB2 LYS 82 2HB LYS 82 1.554 12.639 6.975 656 HB3 LYS 82 1HB LYS 82 2.718 12.962 5.706 657 HG2 LYS 82 2HG LYS 82 4.035 14.313 7.124 658 HG3 LYS 82 1HG LYS 82 2.753 14.410 8.332 659 HD2 LYS 82 2HD LYS 82 3.551 12.608 9.346 660 HD3 LYS 82 1HD LYS 82 3.327 11.666 7.869 661 HE2 LYS 82 2HE LYS 82 5.653 11.526 8.554 662 HE3 LYS 82 1HE LYS 82 5.538 12.475 7.069 663 HZ1 LYS 82 3HZ LYS 82 5.672 14.489 8.400 664 HZ2 LYS 82 1HZ LYS 82 7.027 13.514 8.639 665 HZ3 LYS 82 2HZ LYS 82 5.814 13.577 9.815 666 H ASP 83 H ASP 83 -0.353 16.414 5.899 667 HA ASP 83 HA ASP 83 -0.970 16.553 8.729 668 HB2 ASP 83 2HB ASP 83 -0.744 18.592 7.265 669 HB3 ASP 83 1HB ASP 83 -2.218 18.094 6.443 670 H LEU 84 H LEU 84 -2.072 14.989 5.960 671 HA LEU 84 HA LEU 84 -4.820 14.663 6.734 672 HB2 LEU 84 2HB LEU 84 -3.224 13.135 4.670 673 HB3 LEU 84 1HB LEU 84 -4.966 13.141 4.830 674 HG LEU 84 HG LEU 84 -4.703 14.567 3.063 675 HD11 LEU 84 1HD1 LEU 84 -5.887 15.731 4.889 676 HD12 LEU 84 2HD1 LEU 84 -5.084 16.824 3.762 677 HD13 LEU 84 3HD1 LEU 84 -4.365 16.502 5.341 678 HD21 LEU 84 3HD2 LEU 84 -2.258 14.501 3.053 679 HD22 LEU 84 1HD2 LEU 84 -2.223 15.712 4.330 680 HD23 LEU 84 2HD2 LEU 84 -2.869 16.127 2.744 681 H PHE 85 H PHE 85 -5.636 12.269 6.808 682 HA PHE 85 HA PHE 85 -4.189 11.013 8.977 683 HB2 PHE 85 2HB PHE 85 -6.734 10.065 7.657 684 HB3 PHE 85 1HB PHE 85 -6.123 9.603 9.241 685 HD1 PHE 85 HD1 PHE 85 -5.640 11.786 10.781 686 HD2 PHE 85 HD2 PHE 85 -8.504 11.496 7.647 687 HE1 PHE 85 HE1 PHE 85 -6.935 13.612 11.800 688 HE2 PHE 85 HE2 PHE 85 -9.802 13.325 8.658 689 HZ PHE 85 HZ PHE 85 -9.017 14.387 10.738 690 H VAL 86 H VAL 86 -2.333 10.527 7.594 691 HA VAL 86 HA VAL 86 -2.711 8.286 5.753 692 HB VAL 86 HB VAL 86 -1.396 10.126 4.873 693 HG11 VAL 86 1HG1 VAL 86 0.778 10.734 5.856 694 HG12 VAL 86 2HG1 VAL 86 0.433 9.683 7.228 695 HG13 VAL 86 3HG1 VAL 86 -0.575 11.096 6.924 696 HG21 VAL 86 3HG2 VAL 86 0.645 8.919 4.232 697 HG22 VAL 86 1HG2 VAL 86 -0.785 7.890 4.143 698 HG23 VAL 86 2HG2 VAL 86 0.332 7.732 5.498 699 H HIS 87 H HIS 87 -1.894 6.289 6.114 700 HA HIS 87 HA HIS 87 -0.015 5.733 8.216 701 HB2 HIS 87 2HB HIS 87 -2.918 5.299 8.634 702 HB3 HIS 87 1HB HIS 87 -1.875 3.955 9.083 703 HD1 HIS 87 HD1 HIS 87 0.280 4.884 10.670 704 HD2 HIS 87 HD2 HIS 87 -3.301 6.995 10.682 705 HE1 HIS 87 HE1 HIS 87 0.293 6.223 12.798 706 H SER 88 H SER 88 1.149 4.818 6.492 707 HA SER 88 HA SER 88 -0.021 2.554 5.077 708 HB2 SER 88 2HB SER 88 2.809 3.453 4.685 709 HB3 SER 88 1HB SER 88 1.657 2.845 3.499 710 HG SER 88 HG SER 88 1.952 5.072 3.222 711 H ILE 89 H ILE 89 0.437 0.458 5.558 712 HA ILE 89 HA ILE 89 2.875 -0.267 6.921 713 HB ILE 89 HB ILE 89 1.381 0.458 8.794 714 HG12 ILE 89 2HG1 ILE 89 2.117 -2.477 8.683 715 HG13 ILE 89 1HG1 ILE 89 3.155 -1.158 9.209 716 HG21 ILE 89 1HG2 ILE 89 -0.300 -1.898 7.930 717 HG22 ILE 89 2HG2 ILE 89 -0.764 -0.199 7.843 718 HG23 ILE 89 3HG2 ILE 89 -0.521 -0.966 9.411 719 HD11 ILE 89 3HD1 ILE 89 0.641 -2.090 10.577 720 HD12 ILE 89 1HD1 ILE 89 1.673 -0.763 11.110 721 HD13 ILE 89 2HD1 ILE 89 2.298 -2.412 11.097 722 H ASP 90 H ASP 90 3.315 -2.465 6.858 723 HA ASP 90 HA ASP 90 1.410 -4.184 5.430 724 HB2 ASP 90 2HB ASP 90 3.034 -3.611 3.762 725 HB3 ASP 90 1HB ASP 90 4.364 -3.810 4.897 726 H SER 91 H SER 91 1.651 -6.442 5.932 727 HA SER 91 HA SER 91 2.514 -6.851 8.675 728 HB2 SER 91 2HB SER 91 1.333 -8.945 6.857 729 HB3 SER 91 1HB SER 91 1.232 -8.831 8.617 730 HG SER 91 HG SER 91 0.221 -6.631 7.350 731 H GLU 92 H GLU 92 4.677 -6.290 7.386 732 HA GLU 92 HA GLU 92 6.132 -8.019 5.898 733 HB2 GLU 92 2HB GLU 92 8.155 -7.089 7.181 734 HB3 GLU 92 1HB GLU 92 7.119 -5.947 6.340 735 HG2 GLU 92 2HG GLU 92 6.306 -5.040 8.271 736 HG3 GLU 92 1HG GLU 92 6.546 -6.523 9.195 737 H VAL 93 H VAL 93 7.164 -9.886 6.108 738 HA VAL 93 HA VAL 93 6.692 -11.582 8.328 739 HB VAL 93 HB VAL 93 7.001 -12.343 5.955 740 HG11 VAL 93 1HG1 VAL 93 9.906 -11.776 6.508 741 HG12 VAL 93 2HG1 VAL 93 8.877 -10.946 5.339 742 HG13 VAL 93 3HG1 VAL 93 9.281 -12.648 5.109 743 HG21 VAL 93 3HG2 VAL 93 8.759 -13.594 8.059 744 HG22 VAL 93 1HG2 VAL 93 8.370 -14.350 6.515 745 HG23 VAL 93 2HG2 VAL 93 7.087 -14.003 7.672 746 H ILE 94 H ILE 94 8.354 -12.590 9.673 747 HA ILE 94 HA ILE 94 10.083 -10.675 10.850 748 HB ILE 94 HB ILE 94 10.934 -12.577 12.216 749 HG12 ILE 94 2HG1 ILE 94 8.864 -14.429 11.290 750 HG13 ILE 94 1HG1 ILE 94 10.123 -14.134 10.094 751 HG21 ILE 94 1HG2 ILE 94 9.017 -11.309 12.953 752 HG22 ILE 94 2HG2 ILE 94 8.801 -13.009 13.363 753 HG23 ILE 94 3HG2 ILE 94 7.942 -12.318 11.988 754 HD11 ILE 94 3HD1 ILE 94 10.672 -16.058 11.434 755 HD12 ILE 94 1HD1 ILE 94 10.527 -15.104 12.910 756 HD13 ILE 94 2HD1 ILE 94 11.816 -14.754 11.757 757 H THR 95 H THR 95 12.407 -10.924 11.134 758 HA THR 95 HA THR 95 14.515 -10.995 10.318 759 HB THR 95 HB THR 95 13.839 -13.420 8.679 760 HG1 THR 95 HG1 THR 95 14.098 -14.635 10.655 761 HG21 THR 95 3HG2 THR 95 16.069 -14.108 9.306 762 HG22 THR 95 1HG2 THR 95 16.213 -12.749 10.421 763 HG23 THR 95 2HG2 THR 95 16.142 -12.459 8.682 764 H LYS 96 H LYS 96 13.175 -9.153 9.111 765 HA LYS 96 HA LYS 96 13.986 -9.324 6.291 766 HB2 LYS 96 2HB LYS 96 11.489 -9.499 6.570 767 HB3 LYS 96 1HB LYS 96 11.510 -7.898 7.295 768 HG2 LYS 96 2HG LYS 96 12.760 -7.309 5.027 769 HG3 LYS 96 1HG LYS 96 11.854 -8.716 4.464 770 HD2 LYS 96 2HD LYS 96 10.368 -6.998 4.035 771 HD3 LYS 96 1HD LYS 96 9.839 -7.535 5.630 772 HE2 LYS 96 2HE LYS 96 11.286 -5.745 6.616 773 HE3 LYS 96 1HE LYS 96 11.565 -5.151 4.978 774 HZ1 LYS 96 3HZ LYS 96 9.786 -3.890 5.460 775 HZ2 LYS 96 1HZ LYS 96 9.208 -4.926 6.666 776 HZ3 LYS 96 2HZ LYS 96 8.901 -5.259 5.029 777 H LYS 97 H LYS 97 15.794 -8.081 6.390 778 HA LYS 97 HA LYS 97 15.466 -5.390 7.539 779 HB2 LYS 97 2HB LYS 97 16.916 -6.844 8.932 780 HB3 LYS 97 1HB LYS 97 17.989 -7.052 7.554 781 HG2 LYS 97 2HG LYS 97 18.768 -4.860 7.667 782 HG3 LYS 97 1HG LYS 97 17.354 -4.307 8.567 783 HD2 LYS 97 2HD LYS 97 19.178 -4.359 10.094 784 HD3 LYS 97 1HD LYS 97 18.132 -5.721 10.486 785 HE2 LYS 97 2HE LYS 97 19.660 -7.155 9.095 786 HE3 LYS 97 1HE LYS 97 20.756 -5.778 9.011 787 HZ1 LYS 97 3HZ LYS 97 21.248 -7.423 10.800 788 HZ2 LYS 97 1HZ LYS 97 19.814 -6.956 11.559 789 HZ3 LYS 97 2HZ LYS 97 21.061 -5.836 11.346 790 H GLU 98 H GLU 98 16.035 -3.714 6.299 791 HA GLU 98 HA GLU 98 16.866 -4.252 3.563 792 HB2 GLU 98 2HB GLU 98 16.006 -1.702 4.952 793 HB3 GLU 98 1HB GLU 98 16.416 -1.814 3.245 794 HG2 GLU 98 2HG GLU 98 14.466 -2.805 2.700 795 HG3 GLU 98 1HG GLU 98 14.369 -3.697 4.218 796 H ALA 99 H ALA 99 18.973 -4.981 4.777 797 HA ALA 99 HA ALA 99 20.752 -2.673 5.162 798 HB1 ALA 99 1HB ALA 99 20.748 -4.202 7.026 799 HB2 ALA 99 2HB ALA 99 22.302 -4.304 6.198 800 HB3 ALA 99 3HB ALA 99 21.091 -5.560 5.956 801 H GLN 100 H GLN 100 20.992 -2.220 2.930 802 HA GLN 100 HA GLN 100 22.878 -4.022 1.601 803 HB2 GLN 100 2HB GLN 100 20.521 -4.356 0.731 804 HB3 GLN 100 1HB GLN 100 20.580 -2.698 0.156 805 HG2 GLN 100 2HG GLN 100 22.669 -3.395 -1.139 806 HG3 GLN 100 1HG GLN 100 22.183 -5.053 -0.789 807 HE21 GLN 100 1HE2 GLN 100 21.471 -2.174 -2.566 808 HE22 GLN 100 2HE2 GLN 100 20.261 -2.862 -3.594 809 H GLN 101 H GLN 101 24.247 -2.968 0.064 810 HA GLN 101 HA GLN 101 24.793 -0.230 0.763 811 HB2 GLN 101 2HB GLN 101 26.530 -2.048 0.253 812 HB3 GLN 101 1HB GLN 101 26.132 -1.790 -1.444 813 HG2 GLN 101 2HG GLN 101 28.120 -0.513 -0.764 814 HG3 GLN 101 1HG GLN 101 26.802 0.547 -1.274 815 HE21 GLN 101 1HE2 GLN 101 27.538 2.299 -0.125 816 HE22 GLN 101 2HE2 GLN 101 27.472 2.381 1.601 817 H ILE 102 H ILE 102 23.183 1.069 0.017 818 HA ILE 102 HA ILE 102 23.166 1.599 -2.822 819 HB ILE 102 HB ILE 102 21.463 -0.141 -2.692 820 HG12 ILE 102 2HG1 ILE 102 20.117 2.551 -2.980 821 HG13 ILE 102 1HG1 ILE 102 21.158 1.837 -4.205 822 HG21 ILE 102 1HG2 ILE 102 19.429 0.150 -1.363 823 HG22 ILE 102 2HG2 ILE 102 20.102 1.619 -0.656 824 HG23 ILE 102 3HG2 ILE 102 20.868 0.061 -0.348 825 HD11 ILE 102 3HD1 ILE 102 18.605 0.616 -3.185 826 HD12 ILE 102 1HD1 ILE 102 19.631 -0.015 -4.472 827 HD13 ILE 102 2HD1 ILE 102 18.785 1.518 -4.690 828 H ARG 103 H ARG 103 22.519 3.686 -3.290 829 HA ARG 103 HA ARG 103 21.330 5.334 -1.219 830 HB2 ARG 103 2HB ARG 103 23.932 5.298 -1.013 831 HB3 ARG 103 1HB ARG 103 23.895 6.293 -2.466 832 HG2 ARG 103 2HG ARG 103 23.989 7.860 -0.746 833 HG3 ARG 103 1HG ARG 103 22.266 7.786 -1.128 834 HD2 ARG 103 2HD ARG 103 22.148 7.614 1.135 835 HD3 ARG 103 1HD ARG 103 22.302 5.908 0.726 836 HE ARG 103 HE ARG 103 24.442 5.895 1.604 837 HH11 ARG 103 1HH1 ARG 103 23.234 9.193 1.459 838 HH12 ARG 103 2HH1 ARG 103 24.453 9.803 2.534 839 HH21 ARG 103 1HH2 ARG 103 26.038 6.720 3.008 840 HH22 ARG 103 2HH2 ARG 103 26.042 8.406 3.407 841 H GLU 104 H GLU 104 20.213 7.082 -2.085 842 HA GLU 104 HA GLU 104 19.884 7.016 -4.970 843 HB2 GLU 104 2HB GLU 104 17.976 8.498 -4.609 844 HB3 GLU 104 1HB GLU 104 17.885 7.101 -3.552 845 HG2 GLU 104 2HG GLU 104 18.424 8.357 -1.652 846 HG3 GLU 104 1HG GLU 104 19.023 9.709 -2.610 847 H GLU 105 H GLU 105 22.157 8.304 -3.260 848 HA GLU 105 HA GLU 105 22.576 10.517 -5.054 849 HB2 GLU 105 2HB GLU 105 23.303 11.778 -2.756 850 HB3 GLU 105 1HB GLU 105 21.772 12.034 -3.577 851 HG2 GLU 105 2HG GLU 105 20.828 11.544 -1.628 852 HG3 GLU 105 1HG GLU 105 21.244 9.868 -1.981 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -29.468 -13.076 -7.125 2 HA2 GLY 1 1HA GLY 1 -29.685 -11.179 -5.624 3 HA3 GLY 1 2HA GLY 1 -30.249 -12.284 -4.380 4 H SER 2 H SER 2 -28.421 -11.461 -3.140 5 HA SER 2 HA SER 2 -25.796 -12.376 -4.032 6 HB2 SER 2 2HB SER 2 -26.222 -10.038 -3.058 7 HB3 SER 2 1HB SER 2 -26.391 -10.843 -1.498 8 HG SER 2 HG SER 2 -24.114 -10.924 -3.208 9 H HIS 3 H HIS 3 -24.440 -13.060 -1.935 10 HA HIS 3 HA HIS 3 -25.891 -14.830 -0.174 11 HB2 HIS 3 2HB HIS 3 -25.623 -16.223 -2.202 12 HB3 HIS 3 1HB HIS 3 -23.886 -15.955 -2.153 13 HD1 HIS 3 HD1 HIS 3 -26.635 -17.856 -0.430 14 HD2 HIS 3 HD2 HIS 3 -22.485 -17.523 -0.331 15 HE1 HIS 3 HE1 HIS 3 -25.831 -19.764 0.997 16 H MET 4 H MET 4 -24.872 -14.885 1.741 17 HA MET 4 HA MET 4 -22.564 -13.326 2.192 18 HB2 MET 4 2HB MET 4 -23.835 -15.406 3.980 19 HB3 MET 4 1HB MET 4 -22.649 -14.214 4.489 20 HG2 MET 4 2HG MET 4 -24.577 -13.200 5.148 21 HG3 MET 4 1HG MET 4 -24.383 -12.511 3.538 22 HE1 MET 4 3HE MET 4 -26.406 -14.591 5.935 23 HE2 MET 4 1HE MET 4 -25.869 -15.978 4.985 24 HE3 MET 4 2HE MET 4 -27.562 -15.484 4.949 25 H LYS 5 H LYS 5 -20.583 -13.828 1.596 26 HA LYS 5 HA LYS 5 -19.732 -16.450 0.940 27 HB2 LYS 5 2HB LYS 5 -18.858 -14.066 0.209 28 HB3 LYS 5 1HB LYS 5 -17.780 -14.280 1.580 29 HG2 LYS 5 2HG LYS 5 -16.587 -15.025 -0.305 30 HG3 LYS 5 1HG LYS 5 -17.102 -16.480 0.549 31 HD2 LYS 5 2HD LYS 5 -17.473 -16.831 -1.788 32 HD3 LYS 5 1HD LYS 5 -19.047 -16.618 -1.019 33 HE2 LYS 5 2HE LYS 5 -18.981 -15.388 -3.100 34 HE3 LYS 5 1HE LYS 5 -19.051 -14.261 -1.749 35 HZ1 LYS 5 3HZ LYS 5 -17.444 -13.588 -3.445 36 HZ2 LYS 5 1HZ LYS 5 -16.575 -15.016 -3.202 37 HZ3 LYS 5 2HZ LYS 5 -16.692 -13.878 -1.960 38 H THR 6 H THR 6 -18.312 -17.816 2.009 39 HA THR 6 HA THR 6 -18.425 -17.684 4.889 40 HB THR 6 HB THR 6 -16.826 -19.780 3.480 41 HG1 THR 6 HG1 THR 6 -19.627 -19.372 3.215 42 HG21 THR 6 3HG2 THR 6 -17.994 -21.240 5.093 43 HG22 THR 6 1HG2 THR 6 -18.900 -19.847 5.682 44 HG23 THR 6 2HG2 THR 6 -17.152 -19.918 5.900 45 H LYS 7 H LYS 7 -15.851 -19.076 5.265 46 HA LYS 7 HA LYS 7 -14.214 -16.901 5.876 47 HB2 LYS 7 2HB LYS 7 -12.433 -18.598 6.240 48 HB3 LYS 7 1HB LYS 7 -13.944 -18.998 7.044 49 HG2 LYS 7 2HG LYS 7 -14.370 -20.779 5.644 50 HG3 LYS 7 1HG LYS 7 -13.421 -20.100 4.319 51 HD2 LYS 7 2HD LYS 7 -12.096 -20.973 6.866 52 HD3 LYS 7 1HD LYS 7 -12.496 -22.145 5.609 53 HE2 LYS 7 2HE LYS 7 -11.191 -20.829 3.988 54 HE3 LYS 7 1HE LYS 7 -10.770 -19.693 5.267 55 HZ1 LYS 7 3HZ LYS 7 -9.786 -21.653 6.462 56 HZ2 LYS 7 1HZ LYS 7 -8.972 -21.162 5.065 57 HZ3 LYS 7 2HZ LYS 7 -9.964 -22.525 5.025 58 H LYS 8 H LYS 8 -12.379 -16.045 4.941 59 HA LYS 8 HA LYS 8 -11.597 -16.963 2.284 60 HB2 LYS 8 2HB LYS 8 -11.564 -14.626 1.440 61 HB3 LYS 8 1HB LYS 8 -13.184 -15.202 1.802 62 HG2 LYS 8 2HG LYS 8 -11.713 -13.669 3.899 63 HG3 LYS 8 1HG LYS 8 -12.411 -12.792 2.535 64 HD2 LYS 8 2HD LYS 8 -14.045 -14.758 4.108 65 HD3 LYS 8 1HD LYS 8 -13.824 -13.107 4.684 66 HE2 LYS 8 2HE LYS 8 -14.787 -12.240 2.618 67 HE3 LYS 8 1HE LYS 8 -14.951 -13.876 1.985 68 HZ1 LYS 8 3HZ LYS 8 -16.305 -12.899 4.439 69 HZ2 LYS 8 1HZ LYS 8 -16.551 -14.384 3.667 70 HZ3 LYS 8 2HZ LYS 8 -17.029 -12.945 2.912 71 H GLN 9 H GLN 9 -9.431 -16.513 1.776 72 HA GLN 9 HA GLN 9 -7.867 -15.666 4.114 73 HB2 GLN 9 2HB GLN 9 -6.007 -16.971 3.180 74 HB3 GLN 9 1HB GLN 9 -7.425 -17.958 3.483 75 HG2 GLN 9 2HG GLN 9 -6.794 -16.855 0.767 76 HG3 GLN 9 1HG GLN 9 -6.128 -18.378 1.345 77 HE21 GLN 9 1HE2 GLN 9 -7.524 -20.124 1.695 78 HE22 GLN 9 2HE2 GLN 9 -9.098 -20.185 0.985 79 H GLN 10 H GLN 10 -8.150 -15.164 0.606 80 HA GLN 10 HA GLN 10 -6.417 -12.811 0.953 81 HB2 GLN 10 2HB GLN 10 -6.479 -14.608 -1.478 82 HB3 GLN 10 1HB GLN 10 -5.498 -13.158 -1.286 83 HG2 GLN 10 2HG GLN 10 -4.602 -14.441 0.825 84 HG3 GLN 10 1HG GLN 10 -5.174 -15.850 -0.063 85 HE21 GLN 10 1HE2 GLN 10 -4.564 -14.868 -2.687 86 HE22 GLN 10 2HE2 GLN 10 -2.844 -14.834 -2.833 87 H TYR 11 H TYR 11 -7.765 -11.141 0.853 88 HA TYR 11 HA TYR 11 -9.595 -10.979 -1.447 89 HB2 TYR 11 2HB TYR 11 -10.253 -10.845 1.400 90 HB3 TYR 11 1HB TYR 11 -10.819 -9.441 0.503 91 HD1 TYR 11 HD2 TYR 11 -10.648 -13.121 -0.158 92 HD2 TYR 11 HD1 TYR 11 -13.042 -9.606 -0.081 93 HE1 TYR 11 HE2 TYR 11 -12.578 -14.425 -0.940 94 HE2 TYR 11 HE1 TYR 11 -14.980 -10.904 -0.861 95 HH TYR 11 HH TYR 11 -14.699 -14.399 -1.499 96 H VAL 12 H VAL 12 -10.130 -8.767 -2.069 97 HA VAL 12 HA VAL 12 -8.297 -6.719 -1.084 98 HB VAL 12 HB VAL 12 -7.100 -7.729 -2.939 99 HG11 VAL 12 1HG1 VAL 12 -7.947 -7.934 -5.136 100 HG12 VAL 12 2HG1 VAL 12 -9.395 -7.010 -4.743 101 HG13 VAL 12 3HG1 VAL 12 -9.166 -8.619 -4.062 102 HG21 VAL 12 3HG2 VAL 12 -6.752 -5.772 -4.330 103 HG22 VAL 12 1HG2 VAL 12 -6.922 -5.303 -2.639 104 HG23 VAL 12 2HG2 VAL 12 -8.268 -5.072 -3.760 105 H THR 13 H THR 13 -9.083 -4.664 -1.238 106 HA THR 13 HA THR 13 -11.377 -4.039 -2.855 107 HB THR 13 HB THR 13 -12.403 -5.051 -0.807 108 HG1 THR 13 HG1 THR 13 -13.417 -3.333 -2.083 109 HG21 THR 13 3HG2 THR 13 -10.768 -4.356 0.857 110 HG22 THR 13 1HG2 THR 13 -12.370 -3.752 1.284 111 HG23 THR 13 2HG2 THR 13 -11.178 -2.664 0.577 112 H ILE 14 H ILE 14 -11.555 -1.850 -3.238 113 HA ILE 14 HA ILE 14 -9.669 -0.080 -1.843 114 HB ILE 14 HB ILE 14 -10.078 -0.121 -4.842 115 HG12 ILE 14 2HG1 ILE 14 -7.534 -0.780 -3.358 116 HG13 ILE 14 1HG1 ILE 14 -8.706 -2.020 -3.786 117 HG21 ILE 14 1HG2 ILE 14 -8.251 1.527 -4.875 118 HG22 ILE 14 2HG2 ILE 14 -8.252 1.541 -3.111 119 HG23 ILE 14 3HG2 ILE 14 -9.664 2.114 -3.997 120 HD11 ILE 14 3HD1 ILE 14 -7.314 -0.205 -5.737 121 HD12 ILE 14 1HD1 ILE 14 -8.426 -1.517 -6.131 122 HD13 ILE 14 2HD1 ILE 14 -6.870 -1.877 -5.388 123 H LYS 15 H LYS 15 -10.491 1.883 -1.334 124 HA LYS 15 HA LYS 15 -13.052 2.673 -2.552 125 HB2 LYS 15 2HB LYS 15 -13.182 1.688 -0.168 126 HB3 LYS 15 1HB LYS 15 -12.393 3.174 0.338 127 HG2 LYS 15 2HG LYS 15 -14.458 4.106 -1.211 128 HG3 LYS 15 1HG LYS 15 -15.179 2.708 -0.406 129 HD2 LYS 15 2HD LYS 15 -13.706 4.948 0.985 130 HD3 LYS 15 1HD LYS 15 -15.461 4.830 0.854 131 HE2 LYS 15 2HE LYS 15 -15.322 2.630 2.042 132 HE3 LYS 15 1HE LYS 15 -13.604 2.928 2.297 133 HZ1 LYS 15 3HZ LYS 15 -15.917 4.332 3.465 134 HZ2 LYS 15 1HZ LYS 15 -14.426 5.125 3.336 135 HZ3 LYS 15 2HZ LYS 15 -14.547 3.702 4.237 136 H GLY 16 H GLY 16 -12.091 4.193 -3.891 137 HA2 GLY 16 2HA GLY 16 -11.068 6.573 -2.487 138 HA3 GLY 16 1HA GLY 16 -10.169 5.914 -3.847 139 H THR 17 H THR 17 -13.369 7.112 -2.943 140 HA THR 17 HA THR 17 -13.515 8.536 -5.479 141 HB THR 17 HB THR 17 -14.773 6.770 -6.257 142 HG1 THR 17 HG1 THR 17 -17.049 7.313 -5.913 143 HG21 THR 17 3HG2 THR 17 -16.174 5.302 -4.966 144 HG22 THR 17 1HG2 THR 17 -16.041 6.348 -3.551 145 HG23 THR 17 2HG2 THR 17 -14.629 5.471 -4.132 146 H LYS 18 H LYS 18 -15.791 7.843 -2.814 147 HA LYS 18 HA LYS 18 -16.156 10.731 -2.458 148 HB2 LYS 18 2HB LYS 18 -18.062 8.941 -2.820 149 HB3 LYS 18 1HB LYS 18 -17.837 8.656 -1.102 150 HG2 LYS 18 2HG LYS 18 -18.351 10.976 -0.623 151 HG3 LYS 18 1HG LYS 18 -18.503 11.313 -2.351 152 HD2 LYS 18 2HD LYS 18 -20.708 11.014 -1.703 153 HD3 LYS 18 1HD LYS 18 -20.273 9.416 -2.307 154 HE2 LYS 18 2HE LYS 18 -21.322 8.910 -0.311 155 HE3 LYS 18 1HE LYS 18 -19.624 8.941 0.162 156 HZ1 LYS 18 3HZ LYS 18 -19.882 11.040 1.147 157 HZ2 LYS 18 1HZ LYS 18 -21.222 10.145 1.653 158 HZ3 LYS 18 2HZ LYS 18 -21.395 11.297 0.432 159 H ASN 19 H ASN 19 -13.872 9.208 -1.557 160 HA ASN 19 HA ASN 19 -13.811 10.003 1.230 161 HB2 ASN 19 2HB ASN 19 -14.178 7.258 0.409 162 HB3 ASN 19 1HB ASN 19 -12.616 7.434 1.193 163 HD21 ASN 19 1HD2 ASN 19 -15.467 9.349 1.956 164 HD22 ASN 19 2HD2 ASN 19 -15.694 8.692 3.543 165 H GLY 20 H GLY 20 -11.388 9.052 1.964 166 HA2 GLY 20 2HA GLY 20 -9.603 10.475 0.218 167 HA3 GLY 20 1HA GLY 20 -9.168 9.652 1.712 168 H LEU 21 H LEU 21 -8.177 7.703 1.592 169 HA LEU 21 HA LEU 21 -8.362 6.168 -0.875 170 HB2 LEU 21 2HB LEU 21 -6.430 7.660 -1.186 171 HB3 LEU 21 1HB LEU 21 -5.732 7.057 0.301 172 HG LEU 21 HG LEU 21 -5.645 4.777 -0.752 173 HD11 LEU 21 1HD1 LEU 21 -7.353 5.179 -2.469 174 HD12 LEU 21 2HD1 LEU 21 -5.835 4.606 -3.159 175 HD13 LEU 21 3HD1 LEU 21 -6.264 6.313 -3.267 176 HD21 LEU 21 3HD2 LEU 21 -3.695 5.331 -2.186 177 HD22 LEU 21 1HD2 LEU 21 -3.651 6.109 -0.604 178 HD23 LEU 21 2HD2 LEU 21 -4.115 7.037 -2.030 179 H THR 22 H THR 22 -9.503 4.688 0.381 180 HA THR 22 HA THR 22 -7.951 3.334 2.482 181 HB THR 22 HB THR 22 -10.894 2.969 1.914 182 HG1 THR 22 HG1 THR 22 -9.649 5.138 2.918 183 HG21 THR 22 3HG2 THR 22 -9.726 1.250 3.286 184 HG22 THR 22 1HG2 THR 22 -10.992 2.108 4.167 185 HG23 THR 22 2HG2 THR 22 -9.297 2.516 4.435 186 H LEU 23 H LEU 23 -6.840 1.618 1.714 187 HA LEU 23 HA LEU 23 -8.236 -0.154 -0.172 188 HB2 LEU 23 2HB LEU 23 -6.124 -0.554 -1.354 189 HB3 LEU 23 1HB LEU 23 -6.622 1.126 -1.452 190 HG LEU 23 HG LEU 23 -4.716 0.413 0.713 191 HD11 LEU 23 1HD1 LEU 23 -3.981 0.486 -2.204 192 HD12 LEU 23 2HD1 LEU 23 -3.747 -0.840 -1.067 193 HD13 LEU 23 3HD1 LEU 23 -2.824 0.649 -0.883 194 HD21 LEU 23 3HD2 LEU 23 -5.517 2.694 0.461 195 HD22 LEU 23 1HD2 LEU 23 -4.949 2.726 -1.211 196 HD23 LEU 23 2HD2 LEU 23 -3.790 2.599 0.113 197 H HIS 24 H HIS 24 -7.934 -2.316 0.106 198 HA HIS 24 HA HIS 24 -6.203 -3.167 2.328 199 HB2 HIS 24 2HB HIS 24 -8.587 -3.037 3.076 200 HB3 HIS 24 1HB HIS 24 -9.003 -4.203 1.827 201 HD1 HIS 24 HD1 HIS 24 -8.013 -3.987 5.295 202 HD2 HIS 24 HD2 HIS 24 -7.612 -6.789 2.251 203 HE1 HIS 24 HE1 HIS 24 -7.471 -6.158 6.437 204 H LEU 25 H LEU 25 -4.794 -4.644 1.637 205 HA LEU 25 HA LEU 25 -5.633 -6.494 -0.496 206 HB2 LEU 25 2HB LEU 25 -4.101 -4.646 -1.281 207 HB3 LEU 25 1HB LEU 25 -2.879 -5.279 -0.201 208 HG LEU 25 HG LEU 25 -2.893 -5.873 -2.771 209 HD11 LEU 25 1HD1 LEU 25 -1.191 -6.612 -1.263 210 HD12 LEU 25 2HD1 LEU 25 -1.731 -7.989 -2.227 211 HD13 LEU 25 3HD1 LEU 25 -2.275 -7.812 -0.558 212 HD21 LEU 25 3HD2 LEU 25 -5.162 -6.819 -2.768 213 HD22 LEU 25 1HD2 LEU 25 -4.629 -8.058 -1.632 214 HD23 LEU 25 2HD2 LEU 25 -3.944 -7.997 -3.255 215 H ASP 26 H ASP 26 -5.533 -8.543 0.216 216 HA ASP 26 HA ASP 26 -3.579 -9.181 2.336 217 HB2 ASP 26 2HB ASP 26 -6.437 -9.544 2.281 218 HB3 ASP 26 1HB ASP 26 -5.646 -11.112 2.383 219 H ASP 27 H ASP 27 -2.988 -9.324 -0.401 220 HA ASP 27 HA ASP 27 -3.062 -12.187 -1.030 221 HB2 ASP 27 2HB ASP 27 -3.058 -9.730 -2.628 222 HB3 ASP 27 1HB ASP 27 -1.923 -10.947 -3.201 223 H ALA 28 H ALA 28 -1.291 -13.361 -0.693 224 HA ALA 28 HA ALA 28 1.234 -11.951 -0.208 225 HB1 ALA 28 1HB ALA 28 0.435 -13.421 1.576 226 HB2 ALA 28 2HB ALA 28 1.968 -13.985 0.910 227 HB3 ALA 28 3HB ALA 28 0.461 -14.785 0.460 228 H CYS 29 H CYS 29 2.952 -12.191 -1.492 229 HA CYS 29 HA CYS 29 4.225 -12.702 -3.293 230 HB2 CYS 29 2HB CYS 29 3.028 -15.466 -3.033 231 HB3 CYS 29 1HB CYS 29 4.566 -15.039 -3.781 232 HG CYS 29 HG CYS 29 4.104 -16.051 -0.792 233 H SER 30 H SER 30 1.830 -11.481 -3.959 234 HA SER 30 HA SER 30 1.217 -12.766 -6.537 235 HB2 SER 30 2HB SER 30 -0.768 -11.035 -5.092 236 HB3 SER 30 1HB SER 30 -1.054 -12.251 -6.335 237 HG SER 30 HG SER 30 0.119 -13.428 -4.252 238 H PHE 31 H PHE 31 -0.003 -10.965 -7.943 239 HA PHE 31 HA PHE 31 1.959 -8.893 -8.341 240 HB2 PHE 31 2HB PHE 31 -0.643 -9.296 -9.834 241 HB3 PHE 31 1HB PHE 31 0.777 -8.413 -10.384 242 HD1 PHE 31 HD1 PHE 31 2.850 -9.662 -10.953 243 HD2 PHE 31 HD2 PHE 31 -0.832 -11.625 -10.129 244 HE1 PHE 31 HE1 PHE 31 3.703 -11.699 -12.031 245 HE2 PHE 31 HE2 PHE 31 0.016 -13.673 -11.203 246 HZ PHE 31 HZ PHE 31 2.288 -13.709 -12.154 247 H ASP 32 H ASP 32 1.886 -7.179 -7.029 248 HA ASP 32 HA ASP 32 -0.626 -6.198 -5.966 249 HB2 ASP 32 2HB ASP 32 1.160 -4.428 -5.032 250 HB3 ASP 32 1HB ASP 32 0.869 -5.984 -4.269 251 H GLU 33 H GLU 33 0.994 -5.726 -8.778 252 HA GLU 33 HA GLU 33 1.075 -2.992 -9.205 253 HB2 GLU 33 2HB GLU 33 0.836 -3.519 -11.615 254 HB3 GLU 33 1HB GLU 33 2.003 -4.559 -10.808 255 HG2 GLU 33 2HG GLU 33 0.368 -6.354 -10.721 256 HG3 GLU 33 1HG GLU 33 -0.837 -5.306 -11.467 257 H LEU 34 H LEU 34 -1.675 -5.195 -9.468 258 HA LEU 34 HA LEU 34 -3.486 -3.336 -10.587 259 HB2 LEU 34 2HB LEU 34 -4.070 -5.775 -8.907 260 HB3 LEU 34 1HB LEU 34 -5.224 -4.920 -9.916 261 HG LEU 34 HG LEU 34 -2.792 -6.417 -10.909 262 HD11 LEU 34 1HD1 LEU 34 -5.733 -7.066 -11.099 263 HD12 LEU 34 2HD1 LEU 34 -4.554 -7.893 -10.081 264 HD13 LEU 34 3HD1 LEU 34 -4.418 -7.982 -11.836 265 HD21 LEU 34 3HD2 LEU 34 -3.889 -6.041 -13.140 266 HD22 LEU 34 1HD2 LEU 34 -3.201 -4.602 -12.391 267 HD23 LEU 34 2HD2 LEU 34 -4.942 -4.872 -12.345 268 H LEU 35 H LEU 35 -2.231 -3.685 -7.444 269 HA LEU 35 HA LEU 35 -4.451 -2.275 -6.187 270 HB2 LEU 35 2HB LEU 35 -3.428 -4.152 -4.991 271 HB3 LEU 35 1HB LEU 35 -1.873 -3.340 -5.032 272 HG LEU 35 HG LEU 35 -3.196 -1.434 -3.779 273 HD11 LEU 35 1HD1 LEU 35 -4.853 -2.424 -2.220 274 HD12 LEU 35 2HD1 LEU 35 -4.809 -3.907 -3.174 275 HD13 LEU 35 3HD1 LEU 35 -5.384 -2.407 -3.901 276 HD21 LEU 35 3HD2 LEU 35 -2.151 -3.987 -2.578 277 HD22 LEU 35 1HD2 LEU 35 -2.579 -2.568 -1.623 278 HD23 LEU 35 2HD2 LEU 35 -1.290 -2.467 -2.821 279 H ASP 36 H ASP 36 -0.948 -1.916 -6.615 280 HA ASP 36 HA ASP 36 -0.672 0.646 -5.545 281 HB2 ASP 36 2HB ASP 36 1.369 -0.379 -5.869 282 HB3 ASP 36 1HB ASP 36 0.924 -1.007 -7.454 283 H GLY 37 H GLY 37 -1.465 -0.364 -8.836 284 HA2 GLY 37 2HA GLY 37 -1.246 2.049 -10.179 285 HA3 GLY 37 1HA GLY 37 -2.410 0.794 -10.575 286 H LEU 38 H LEU 38 -4.197 0.768 -8.648 287 HA LEU 38 HA LEU 38 -5.678 3.150 -9.069 288 HB2 LEU 38 2HB LEU 38 -6.096 0.688 -7.418 289 HB3 LEU 38 1HB LEU 38 -7.146 2.073 -7.194 290 HG LEU 38 HG LEU 38 -7.547 1.935 -9.734 291 HD11 LEU 38 1HD1 LEU 38 -6.478 -0.837 -9.215 292 HD12 LEU 38 2HD1 LEU 38 -5.741 0.387 -10.250 293 HD13 LEU 38 3HD1 LEU 38 -7.303 -0.308 -10.680 294 HD21 LEU 38 3HD2 LEU 38 -9.333 0.309 -9.414 295 HD22 LEU 38 1HD2 LEU 38 -9.220 1.407 -8.038 296 HD23 LEU 38 2HD2 LEU 38 -8.582 -0.232 -7.914 297 H GLN 39 H GLN 39 -3.781 1.891 -6.404 298 HA GLN 39 HA GLN 39 -4.462 3.664 -4.382 299 HB2 GLN 39 2HB GLN 39 -3.132 1.902 -3.699 300 HB3 GLN 39 1HB GLN 39 -2.024 2.071 -5.048 301 HG2 GLN 39 2HG GLN 39 -1.227 4.204 -3.962 302 HG3 GLN 39 1HG GLN 39 -2.168 3.725 -2.550 303 HE21 GLN 39 1HE2 GLN 39 0.551 2.911 -4.590 304 HE22 GLN 39 2HE2 GLN 39 1.316 1.848 -3.465 305 H ASN 40 H ASN 40 -1.761 3.941 -6.689 306 HA ASN 40 HA ASN 40 -0.997 6.541 -5.864 307 HB2 ASN 40 2HB ASN 40 0.623 5.216 -6.990 308 HB3 ASN 40 1HB ASN 40 -0.452 4.926 -8.351 309 HD21 ASN 40 1HD2 ASN 40 1.722 7.170 -6.841 310 HD22 ASN 40 2HD2 ASN 40 1.840 8.263 -8.172 311 H MET 41 H MET 41 -3.056 5.357 -8.465 312 HA MET 41 HA MET 41 -3.498 7.756 -9.809 313 HB2 MET 41 2HB MET 41 -4.118 5.567 -10.709 314 HB3 MET 41 1HB MET 41 -5.358 5.402 -9.476 315 HG2 MET 41 2HG MET 41 -6.340 6.035 -11.585 316 HG3 MET 41 1HG MET 41 -6.541 7.325 -10.401 317 HE1 MET 41 3HE MET 41 -4.535 6.066 -13.501 318 HE2 MET 41 1HE MET 41 -3.224 6.448 -12.385 319 HE3 MET 41 2HE MET 41 -3.458 7.422 -13.836 320 H LEU 42 H LEU 42 -5.608 6.216 -7.364 321 HA LEU 42 HA LEU 42 -7.438 8.371 -7.287 322 HB2 LEU 42 2HB LEU 42 -6.945 6.289 -5.166 323 HB3 LEU 42 1HB LEU 42 -8.380 7.282 -5.337 324 HG LEU 42 HG LEU 42 -7.458 5.213 -7.337 325 HD11 LEU 42 1HD1 LEU 42 -8.327 4.413 -5.067 326 HD12 LEU 42 2HD1 LEU 42 -9.089 3.763 -6.517 327 HD13 LEU 42 3HD1 LEU 42 -9.889 5.035 -5.597 328 HD21 LEU 42 3HD2 LEU 42 -9.928 6.936 -7.205 329 HD22 LEU 42 1HD2 LEU 42 -9.720 5.568 -8.301 330 HD23 LEU 42 2HD2 LEU 42 -8.668 6.976 -8.436 331 H SER 43 H SER 43 -4.441 7.796 -5.601 332 HA SER 43 HA SER 43 -4.831 9.590 -3.456 333 HB2 SER 43 2HB SER 43 -3.005 7.816 -3.708 334 HB3 SER 43 1HB SER 43 -2.159 8.984 -4.719 335 HG SER 43 HG SER 43 -2.667 10.411 -2.727 336 H ILE 44 H ILE 44 -4.405 10.150 -6.770 337 HA ILE 44 HA ILE 44 -3.730 12.974 -6.247 338 HB ILE 44 HB ILE 44 -3.208 11.405 -8.783 339 HG12 ILE 44 2HG1 ILE 44 -1.210 12.454 -6.771 340 HG13 ILE 44 1HG1 ILE 44 -1.754 10.783 -6.837 341 HG21 ILE 44 1HG2 ILE 44 -2.436 14.223 -8.027 342 HG22 ILE 44 2HG2 ILE 44 -3.649 13.759 -9.220 343 HG23 ILE 44 3HG2 ILE 44 -1.950 13.380 -9.497 344 HD11 ILE 44 3HD1 ILE 44 -0.308 12.240 -9.034 345 HD12 ILE 44 1HD1 ILE 44 -0.822 10.553 -9.070 346 HD13 ILE 44 2HD1 ILE 44 0.407 11.077 -7.920 347 H GLU 45 H GLU 45 -5.740 10.711 -8.003 348 HA GLU 45 HA GLU 45 -7.188 12.529 -9.579 349 HB2 GLU 45 2HB GLU 45 -7.056 9.955 -9.692 350 HB3 GLU 45 1HB GLU 45 -8.342 9.977 -8.494 351 HG2 GLU 45 2HG GLU 45 -9.509 11.565 -10.213 352 HG3 GLU 45 1HG GLU 45 -8.399 10.805 -11.351 353 H GLN 46 H GLN 46 -8.031 11.047 -6.440 354 HA GLN 46 HA GLN 46 -9.548 13.406 -5.732 355 HB2 GLN 46 2HB GLN 46 -10.979 11.561 -7.054 356 HB3 GLN 46 1HB GLN 46 -11.082 10.875 -5.438 357 HG2 GLN 46 2HG GLN 46 -11.971 13.638 -6.277 358 HG3 GLN 46 1HG GLN 46 -13.011 12.283 -5.846 359 HE21 GLN 46 1HE2 GLN 46 -13.092 11.606 -3.679 360 HE22 GLN 46 2HE2 GLN 46 -12.633 12.667 -2.392 361 H TYR 47 H TYR 47 -8.573 13.780 -3.834 362 HA TYR 47 HA TYR 47 -8.702 11.685 -1.801 363 HB2 TYR 47 2HB TYR 47 -6.429 12.206 -1.016 364 HB3 TYR 47 1HB TYR 47 -6.415 11.597 -2.663 365 HD1 TYR 47 HD1 TYR 47 -6.309 13.374 -4.553 366 HD2 TYR 47 HD2 TYR 47 -5.301 14.173 -0.498 367 HE1 TYR 47 HE1 TYR 47 -4.991 15.321 -5.269 368 HE2 TYR 47 HE2 TYR 47 -3.985 16.128 -1.202 369 HH TYR 47 HH TYR 47 -4.130 17.415 -4.356 370 H THR 48 H THR 48 -10.192 14.175 -2.442 371 HA THR 48 HA THR 48 -9.866 15.451 0.183 372 HB THR 48 HB THR 48 -10.636 17.071 -2.231 373 HG1 THR 48 HG1 THR 48 -8.544 16.262 -2.643 374 HG21 THR 48 3HG2 THR 48 -9.915 18.936 -0.834 375 HG22 THR 48 1HG2 THR 48 -9.435 17.814 0.441 376 HG23 THR 48 2HG2 THR 48 -11.134 17.972 -0.003 377 H ASP 49 H ASP 49 -11.628 14.400 1.046 378 HA ASP 49 HA ASP 49 -14.182 14.527 -0.333 379 HB2 ASP 49 2HB ASP 49 -15.021 13.087 1.420 380 HB3 ASP 49 1HB ASP 49 -13.471 12.458 0.872 381 H GLY 50 H GLY 50 -12.646 15.808 2.572 382 HA2 GLY 50 2HA GLY 50 -13.671 18.294 2.645 383 HA3 GLY 50 1HA GLY 50 -14.999 17.340 3.294 384 H LYS 51 H LYS 51 -11.470 17.538 3.684 385 HA LYS 51 HA LYS 51 -10.118 17.629 5.491 386 HB2 LYS 51 2HB LYS 51 -12.502 19.111 6.313 387 HB3 LYS 51 1HB LYS 51 -11.612 18.434 7.669 388 HG2 LYS 51 2HG LYS 51 -10.749 20.592 7.349 389 HG3 LYS 51 1HG LYS 51 -9.545 19.494 6.675 390 HD2 LYS 51 2HD LYS 51 -9.687 21.127 5.040 391 HD3 LYS 51 1HD LYS 51 -10.802 19.899 4.440 392 HE2 LYS 51 2HE LYS 51 -12.670 21.152 5.485 393 HE3 LYS 51 1HE LYS 51 -11.523 22.407 5.948 394 HZ1 LYS 51 3HZ LYS 51 -12.651 23.018 3.929 395 HZ2 LYS 51 1HZ LYS 51 -12.183 21.576 3.176 396 HZ3 LYS 51 2HZ LYS 51 -11.020 22.732 3.590 397 H GLY 52 H GLY 52 -11.719 15.183 4.943 398 HA2 GLY 52 2HA GLY 52 -11.179 13.880 7.513 399 HA3 GLY 52 1HA GLY 52 -12.807 13.739 6.860 400 H GLN 53 H GLN 53 -9.964 13.892 4.867 401 HA GLN 53 HA GLN 53 -10.682 11.471 3.548 402 HB2 GLN 53 2HB GLN 53 -8.511 11.875 2.287 403 HB3 GLN 53 1HB GLN 53 -9.740 13.125 2.155 404 HG2 GLN 53 2HG GLN 53 -7.781 13.492 4.321 405 HG3 GLN 53 1HG GLN 53 -7.143 13.598 2.682 406 HE21 GLN 53 1HE2 GLN 53 -7.779 15.258 1.356 407 HE22 GLN 53 2HE2 GLN 53 -8.598 16.658 1.957 408 H LYS 54 H LYS 54 -10.213 9.498 4.205 409 HA LYS 54 HA LYS 54 -7.986 9.075 6.046 410 HB2 LYS 54 2HB LYS 54 -10.074 8.186 6.827 411 HB3 LYS 54 1HB LYS 54 -10.350 7.352 5.306 412 HG2 LYS 54 2HG LYS 54 -8.600 5.805 5.747 413 HG3 LYS 54 1HG LYS 54 -8.060 6.729 7.149 414 HD2 LYS 54 2HD LYS 54 -10.852 5.668 7.040 415 HD3 LYS 54 1HD LYS 54 -9.522 4.600 7.493 416 HE2 LYS 54 2HE LYS 54 -8.910 6.100 9.305 417 HE3 LYS 54 1HE LYS 54 -10.179 7.222 8.828 418 HZ1 LYS 54 3HZ LYS 54 -11.825 5.546 9.354 419 HZ2 LYS 54 1HZ LYS 54 -10.840 5.843 10.701 420 HZ3 LYS 54 2HZ LYS 54 -10.611 4.449 9.773 421 H ILE 55 H ILE 55 -6.117 8.537 5.152 422 HA ILE 55 HA ILE 55 -6.130 6.949 2.674 423 HB ILE 55 HB ILE 55 -3.852 8.609 3.786 424 HG12 ILE 55 2HG1 ILE 55 -5.722 9.307 1.513 425 HG13 ILE 55 1HG1 ILE 55 -5.862 9.968 3.137 426 HG21 ILE 55 1HG2 ILE 55 -2.666 8.123 1.880 427 HG22 ILE 55 2HG2 ILE 55 -4.109 7.778 0.935 428 HG23 ILE 55 3HG2 ILE 55 -3.534 6.607 2.121 429 HD11 ILE 55 3HD1 ILE 55 -3.641 10.973 2.906 430 HD12 ILE 55 1HD1 ILE 55 -4.753 11.539 1.658 431 HD13 ILE 55 2HD1 ILE 55 -3.528 10.333 1.267 432 H SER 56 H SER 56 -6.547 5.091 4.067 433 HA SER 56 HA SER 56 -4.284 4.245 5.706 434 HB2 SER 56 2HB SER 56 -5.911 2.376 6.346 435 HB3 SER 56 1HB SER 56 -6.329 4.011 6.868 436 HG SER 56 HG SER 56 -7.294 2.844 4.473 437 H VAL 57 H VAL 57 -2.747 3.336 4.516 438 HA VAL 57 HA VAL 57 -3.432 1.627 2.258 439 HB VAL 57 HB VAL 57 -0.674 2.360 3.261 440 HG11 VAL 57 1HG1 VAL 57 -0.894 0.379 1.774 441 HG12 VAL 57 2HG1 VAL 57 0.093 1.677 1.103 442 HG13 VAL 57 3HG1 VAL 57 -1.561 1.441 0.536 443 HG21 VAL 57 3HG2 VAL 57 -1.815 4.409 2.732 444 HG22 VAL 57 1HG2 VAL 57 -2.403 3.743 1.211 445 HG23 VAL 57 2HG2 VAL 57 -0.678 4.044 1.432 446 H HIS 58 H HIS 58 -4.239 -0.233 3.166 447 HA HIS 58 HA HIS 58 -2.615 -1.610 5.172 448 HB2 HIS 58 2HB HIS 58 -5.400 -2.173 4.145 449 HB3 HIS 58 1HB HIS 58 -4.581 -3.132 5.370 450 HD1 HIS 58 HD1 HIS 58 -7.272 -1.324 5.646 451 HD2 HIS 58 HD2 HIS 58 -3.477 -0.499 7.117 452 HE1 HIS 58 HE1 HIS 58 -7.620 0.276 7.552 453 H VAL 59 H VAL 59 -0.944 -2.066 3.646 454 HA VAL 59 HA VAL 59 -1.569 -3.984 1.542 455 HB VAL 59 HB VAL 59 1.046 -3.740 1.239 456 HG11 VAL 59 1HG1 VAL 59 0.631 -1.846 -0.283 457 HG12 VAL 59 2HG1 VAL 59 -0.948 -1.611 0.465 458 HG13 VAL 59 3HG1 VAL 59 -0.605 -3.096 -0.421 459 HG21 VAL 59 3HG2 VAL 59 0.303 -1.200 2.691 460 HG22 VAL 59 1HG2 VAL 59 1.806 -1.471 1.815 461 HG23 VAL 59 2HG2 VAL 59 1.439 -2.427 3.249 462 H LYS 60 H LYS 60 -2.023 -5.839 2.670 463 HA LYS 60 HA LYS 60 0.000 -6.907 4.489 464 HB2 LYS 60 2HB LYS 60 -2.739 -7.993 3.792 465 HB3 LYS 60 1HB LYS 60 -1.692 -8.563 5.082 466 HG2 LYS 60 2HG LYS 60 -2.658 -5.728 5.015 467 HG3 LYS 60 1HG LYS 60 -3.652 -7.021 5.680 468 HD2 LYS 60 2HD LYS 60 -2.590 -6.512 7.597 469 HD3 LYS 60 1HD LYS 60 -1.303 -7.510 6.924 470 HE2 LYS 60 2HE LYS 60 -0.572 -5.233 5.816 471 HE3 LYS 60 1HE LYS 60 -1.490 -4.546 7.158 472 HZ1 LYS 60 3HZ LYS 60 0.774 -6.452 7.383 473 HZ2 LYS 60 1HZ LYS 60 -0.128 -5.854 8.686 474 HZ3 LYS 60 2HZ LYS 60 0.821 -4.805 7.758 475 H LEU 61 H LEU 61 1.264 -6.927 2.334 476 HA LEU 61 HA LEU 61 0.702 -9.028 0.474 477 HB2 LEU 61 2HB LEU 61 3.050 -7.216 0.940 478 HB3 LEU 61 1HB LEU 61 3.112 -8.505 -0.249 479 HG LEU 61 HG LEU 61 0.888 -6.502 -0.351 480 HD11 LEU 61 1HD1 LEU 61 2.911 -5.163 -0.206 481 HD12 LEU 61 2HD1 LEU 61 2.260 -5.120 -1.844 482 HD13 LEU 61 3HD1 LEU 61 3.657 -6.130 -1.479 483 HD21 LEU 61 3HD2 LEU 61 0.779 -7.112 -2.628 484 HD22 LEU 61 1HD2 LEU 61 0.974 -8.621 -1.737 485 HD23 LEU 61 2HD2 LEU 61 2.354 -7.902 -2.570 486 H GLY 62 H GLY 62 1.984 -9.056 3.561 487 HA2 GLY 62 2HA GLY 62 2.972 -10.694 4.819 488 HA3 GLY 62 1HA GLY 62 2.560 -11.806 3.521 489 H ASN 63 H ASN 63 4.377 -12.956 3.223 490 HA ASN 63 HA ASN 63 6.984 -11.685 3.284 491 HB2 ASN 63 2HB ASN 63 7.829 -14.006 2.976 492 HB3 ASN 63 1HB ASN 63 6.759 -13.842 4.362 493 HD21 ASN 63 1HD2 ASN 63 7.338 -15.498 1.450 494 HD22 ASN 63 2HD2 ASN 63 5.871 -16.411 1.417 495 H ARG 64 H ARG 64 5.215 -10.880 1.172 496 HA ARG 64 HA ARG 64 5.813 -12.134 -1.291 497 HB2 ARG 64 2HB ARG 64 3.892 -10.615 -0.951 498 HB3 ARG 64 1HB ARG 64 4.998 -9.269 -0.734 499 HG2 ARG 64 2HG ARG 64 5.219 -10.796 -3.258 500 HG3 ARG 64 1HG ARG 64 3.788 -9.788 -3.040 501 HD2 ARG 64 2HD ARG 64 5.545 -7.988 -2.309 502 HD3 ARG 64 1HD ARG 64 6.659 -8.997 -3.226 503 HE ARG 64 HE ARG 64 4.421 -7.427 -4.275 504 HH11 ARG 64 1HH1 ARG 64 7.045 -9.689 -4.893 505 HH12 ARG 64 2HH1 ARG 64 7.073 -9.377 -6.597 506 HH21 ARG 64 1HH2 ARG 64 4.461 -7.018 -6.504 507 HH22 ARG 64 2HH2 ARG 64 5.590 -7.868 -7.523 508 H PHE 65 H PHE 65 7.425 -9.719 0.625 509 HA PHE 65 HA PHE 65 9.435 -8.689 0.500 510 HB2 PHE 65 2HB PHE 65 10.100 -11.148 0.036 511 HB3 PHE 65 1HB PHE 65 10.295 -10.626 -1.633 512 HD1 PHE 65 HD2 PHE 65 11.468 -10.059 1.826 513 HD2 PHE 65 HD1 PHE 65 12.217 -9.442 -2.323 514 HE1 PHE 65 HE2 PHE 65 13.734 -9.250 2.353 515 HE2 PHE 65 HE1 PHE 65 14.477 -8.630 -1.799 516 HZ PHE 65 HZ PHE 65 15.240 -8.534 0.543 517 H LEU 66 H LEU 66 8.517 -6.836 -0.355 518 HA LEU 66 HA LEU 66 8.948 -6.403 -3.237 519 HB2 LEU 66 2HB LEU 66 6.578 -6.272 -2.464 520 HB3 LEU 66 1HB LEU 66 7.030 -4.971 -1.382 521 HG LEU 66 HG LEU 66 7.674 -3.610 -3.372 522 HD11 LEU 66 1HD1 LEU 66 6.466 -5.926 -4.879 523 HD12 LEU 66 2HD1 LEU 66 8.129 -5.348 -4.974 524 HD13 LEU 66 3HD1 LEU 66 6.812 -4.342 -5.576 525 HD21 LEU 66 3HD2 LEU 66 5.510 -3.311 -2.316 526 HD22 LEU 66 1HD2 LEU 66 4.830 -4.618 -3.286 527 HD23 LEU 66 2HD2 LEU 66 5.364 -3.127 -4.064 528 H TYR 67 H TYR 67 9.689 -4.203 -3.808 529 HA TYR 67 HA TYR 67 11.762 -3.326 -2.045 530 HB2 TYR 67 2HB TYR 67 10.750 -2.284 -4.692 531 HB3 TYR 67 1HB TYR 67 12.065 -1.517 -3.807 532 HD1 TYR 67 HD1 TYR 67 14.171 -2.798 -3.379 533 HD2 TYR 67 HD2 TYR 67 11.119 -4.264 -5.954 534 HE1 TYR 67 HE1 TYR 67 15.771 -4.378 -4.368 535 HE2 TYR 67 HE2 TYR 67 12.715 -5.848 -6.948 536 HH TYR 67 HH TYR 67 14.920 -6.346 -7.143 537 H LYS 68 H LYS 68 10.553 -2.809 -0.214 538 HA LYS 68 HA LYS 68 8.458 -1.031 0.028 539 HB2 LYS 68 2HB LYS 68 9.204 -2.486 1.821 540 HB3 LYS 68 1HB LYS 68 10.723 -1.611 1.939 541 HG2 LYS 68 2HG LYS 68 9.027 0.423 2.347 542 HG3 LYS 68 1HG LYS 68 8.040 -0.907 2.965 543 HD2 LYS 68 2HD LYS 68 9.951 -1.599 4.381 544 HD3 LYS 68 1HD LYS 68 10.839 -0.172 3.832 545 HE2 LYS 68 2HE LYS 68 9.927 0.618 5.802 546 HE3 LYS 68 1HE LYS 68 8.677 1.084 4.648 547 HZ1 LYS 68 3HZ LYS 68 7.776 0.007 6.647 548 HZ2 LYS 68 1HZ LYS 68 8.635 -1.406 6.277 549 HZ3 LYS 68 2HZ LYS 68 7.406 -0.863 5.242 550 H GLU 69 H GLU 69 11.929 -0.365 0.013 551 HA GLU 69 HA GLU 69 11.838 2.322 0.738 552 HB2 GLU 69 2HB GLU 69 13.766 0.908 -1.117 553 HB3 GLU 69 1HB GLU 69 14.021 2.513 -0.449 554 HG2 GLU 69 2HG GLU 69 14.464 1.729 1.650 555 HG3 GLU 69 1HG GLU 69 13.515 0.259 1.420 556 H GLN 70 H GLN 70 11.571 0.826 -2.467 557 HA GLN 70 HA GLN 70 11.532 3.270 -3.914 558 HB2 GLN 70 2HB GLN 70 11.080 0.421 -4.549 559 HB3 GLN 70 1HB GLN 70 10.300 1.581 -5.616 560 HG2 GLN 70 2HG GLN 70 12.428 2.629 -6.102 561 HG3 GLN 70 1HG GLN 70 13.240 1.573 -4.947 562 HE21 GLN 70 1HE2 GLN 70 13.598 -0.563 -5.475 563 HE22 GLN 70 2HE2 GLN 70 13.456 -1.156 -7.093 564 H GLU 71 H GLU 71 9.026 1.308 -2.448 565 HA GLU 71 HA GLU 71 6.916 2.817 -3.687 566 HB2 GLU 71 2HB GLU 71 6.738 0.970 -1.305 567 HB3 GLU 71 1HB GLU 71 5.406 1.517 -2.313 568 HG2 GLU 71 2HG GLU 71 7.566 -0.449 -2.948 569 HG3 GLU 71 1HG GLU 71 5.819 -0.643 -3.055 570 H GLU 72 H GLU 72 8.764 2.914 -0.758 571 HA GLU 72 HA GLU 72 7.067 4.746 0.620 572 HB2 GLU 72 2HB GLU 72 8.797 3.143 1.622 573 HB3 GLU 72 1HB GLU 72 10.001 4.334 1.150 574 HG2 GLU 72 2HG GLU 72 8.690 6.015 2.493 575 HG3 GLU 72 1HG GLU 72 7.757 4.656 3.117 576 H GLN 73 H GLN 73 9.995 5.064 -1.360 577 HA GLN 73 HA GLN 73 10.543 7.744 -0.867 578 HB2 GLN 73 2HB GLN 73 11.826 7.756 -2.918 579 HB3 GLN 73 1HB GLN 73 12.067 6.232 -2.079 580 HG2 GLN 73 2HG GLN 73 10.398 5.203 -3.604 581 HG3 GLN 73 1HG GLN 73 10.339 6.726 -4.484 582 HE21 GLN 73 1HE2 GLN 73 11.038 5.638 -6.351 583 HE22 GLN 73 2HE2 GLN 73 12.694 5.191 -6.564 584 H LEU 74 H LEU 74 8.247 6.356 -3.195 585 HA LEU 74 HA LEU 74 7.639 8.902 -4.361 586 HB2 LEU 74 2HB LEU 74 5.907 7.801 -5.582 587 HB3 LEU 74 1HB LEU 74 7.299 6.737 -5.556 588 HG LEU 74 HG LEU 74 5.881 5.839 -3.394 589 HD11 LEU 74 1HD1 LEU 74 3.568 5.632 -4.044 590 HD12 LEU 74 2HD1 LEU 74 3.871 6.535 -5.528 591 HD13 LEU 74 3HD1 LEU 74 4.007 7.338 -3.966 592 HD21 LEU 74 3HD2 LEU 74 5.681 4.937 -6.264 593 HD22 LEU 74 1HD2 LEU 74 5.249 3.973 -4.852 594 HD23 LEU 74 2HD2 LEU 74 6.924 4.467 -5.106 595 H THR 75 H THR 75 6.465 7.004 -1.709 596 HA THR 75 HA THR 75 4.062 8.455 -1.251 597 HB THR 75 HB THR 75 5.692 6.751 0.646 598 HG1 THR 75 HG1 THR 75 5.017 5.405 -0.938 599 HG21 THR 75 3HG2 THR 75 3.377 6.464 1.730 600 HG22 THR 75 1HG2 THR 75 2.930 7.923 0.848 601 HG23 THR 75 2HG2 THR 75 4.239 7.974 2.027 602 H GLU 76 H GLU 76 7.398 8.854 -0.357 603 HA GLU 76 HA GLU 76 7.204 10.542 1.834 604 HB2 GLU 76 2HB GLU 76 9.258 10.488 -0.366 605 HB3 GLU 76 1HB GLU 76 9.432 11.424 1.112 606 HG2 GLU 76 2HG GLU 76 9.176 9.276 2.379 607 HG3 GLU 76 1HG GLU 76 9.284 8.435 0.836 608 H LEU 77 H LEU 77 6.599 11.205 -1.512 609 HA LEU 77 HA LEU 77 6.861 13.993 -1.539 610 HB2 LEU 77 2HB LEU 77 5.306 12.004 -3.127 611 HB3 LEU 77 1HB LEU 77 4.872 13.692 -3.285 612 HG LEU 77 HG LEU 77 7.200 14.201 -3.969 613 HD11 LEU 77 1HD1 LEU 77 8.381 12.384 -2.902 614 HD12 LEU 77 2HD1 LEU 77 8.651 12.322 -4.644 615 HD13 LEU 77 3HD1 LEU 77 7.517 11.203 -3.888 616 HD21 LEU 77 3HD2 LEU 77 7.027 13.184 -6.199 617 HD22 LEU 77 1HD2 LEU 77 5.487 13.845 -5.646 618 HD23 LEU 77 2HD2 LEU 77 5.769 12.107 -5.597 619 H ILE 78 H ILE 78 4.160 11.901 -0.650 620 HA ILE 78 HA ILE 78 2.541 14.193 0.114 621 HB ILE 78 HB ILE 78 1.810 11.288 0.460 622 HG12 ILE 78 2HG1 ILE 78 0.422 12.103 -1.756 623 HG13 ILE 78 1HG1 ILE 78 1.971 12.905 -1.997 624 HG21 ILE 78 1HG2 ILE 78 -0.489 12.149 0.362 625 HG22 ILE 78 2HG2 ILE 78 0.144 13.788 0.217 626 HG23 ILE 78 3HG2 ILE 78 0.432 12.861 1.688 627 HD11 ILE 78 3HD1 ILE 78 1.940 10.759 -3.105 628 HD12 ILE 78 1HD1 ILE 78 1.538 9.957 -1.589 629 HD13 ILE 78 2HD1 ILE 78 3.104 10.742 -1.779 630 H ALA 79 H ALA 79 4.456 11.643 1.519 631 HA ALA 79 HA ALA 79 3.501 11.750 4.154 632 HB1 ALA 79 1HB ALA 79 5.016 10.008 3.081 633 HB2 ALA 79 2HB ALA 79 5.356 10.462 4.753 634 HB3 ALA 79 3HB ALA 79 6.341 11.115 3.446 635 H SER 80 H SER 80 5.842 13.753 2.450 636 HA SER 80 HA SER 80 6.963 15.011 4.726 637 HB2 SER 80 2HB SER 80 6.721 15.950 1.859 638 HB3 SER 80 1HB SER 80 7.676 16.773 3.089 639 HG SER 80 HG SER 80 8.042 14.051 2.348 640 H LYS 81 H LYS 81 3.903 15.227 3.322 641 HA LYS 81 HA LYS 81 3.256 17.556 4.975 642 HB2 LYS 81 2HB LYS 81 1.672 18.282 3.112 643 HB3 LYS 81 1HB LYS 81 3.381 18.567 2.836 644 HG2 LYS 81 2HG LYS 81 3.482 16.562 1.420 645 HG3 LYS 81 1HG LYS 81 1.760 16.295 1.692 646 HD2 LYS 81 2HD LYS 81 2.949 18.756 0.412 647 HD3 LYS 81 1HD LYS 81 2.232 17.404 -0.466 648 HE2 LYS 81 2HE LYS 81 0.351 18.632 -0.358 649 HE3 LYS 81 1HE LYS 81 0.246 17.998 1.285 650 HZ1 LYS 81 3HZ LYS 81 1.491 20.012 2.008 651 HZ2 LYS 81 1HZ LYS 81 -0.038 20.345 1.369 652 HZ3 LYS 81 2HZ LYS 81 1.346 20.622 0.439 653 H LYS 82 H LYS 82 2.945 14.999 5.741 654 HA LYS 82 HA LYS 82 0.420 13.868 5.071 655 HB2 LYS 82 2HB LYS 82 0.874 12.252 6.824 656 HB3 LYS 82 1HB LYS 82 2.287 12.481 5.818 657 HG2 LYS 82 2HG LYS 82 3.133 14.065 7.622 658 HG3 LYS 82 1HG LYS 82 1.836 13.429 8.628 659 HD2 LYS 82 2HD LYS 82 3.926 11.713 7.290 660 HD3 LYS 82 1HD LYS 82 4.059 12.315 8.943 661 HE2 LYS 82 2HE LYS 82 1.958 11.155 9.516 662 HE3 LYS 82 1HE LYS 82 1.873 10.517 7.873 663 HZ1 LYS 82 3HZ LYS 82 2.813 8.874 9.295 664 HZ2 LYS 82 1HZ LYS 82 3.968 9.949 9.892 665 HZ3 LYS 82 2HZ LYS 82 4.041 9.439 8.284 666 H ASP 83 H ASP 83 -0.455 16.226 5.549 667 HA ASP 83 HA ASP 83 -1.198 16.642 8.307 668 HB2 ASP 83 2HB ASP 83 -0.796 18.416 6.409 669 HB3 ASP 83 1HB ASP 83 -2.488 18.101 6.033 670 H LEU 84 H LEU 84 -2.301 14.762 5.796 671 HA LEU 84 HA LEU 84 -5.087 14.766 6.639 672 HB2 LEU 84 2HB LEU 84 -3.715 13.172 4.461 673 HB3 LEU 84 1HB LEU 84 -5.441 13.231 4.752 674 HG LEU 84 HG LEU 84 -5.288 14.677 2.989 675 HD11 LEU 84 1HD1 LEU 84 -6.144 15.849 5.074 676 HD12 LEU 84 2HD1 LEU 84 -5.660 16.870 3.721 677 HD13 LEU 84 3HD1 LEU 84 -4.592 16.680 5.114 678 HD21 LEU 84 3HD2 LEU 84 -2.881 14.511 2.703 679 HD22 LEU 84 1HD2 LEU 84 -2.625 15.637 4.039 680 HD23 LEU 84 2HD2 LEU 84 -3.406 16.189 2.557 681 H PHE 85 H PHE 85 -6.068 12.458 6.791 682 HA PHE 85 HA PHE 85 -4.609 11.108 8.884 683 HB2 PHE 85 2HB PHE 85 -7.267 10.366 7.644 684 HB3 PHE 85 1HB PHE 85 -6.616 9.761 9.161 685 HD1 PHE 85 HD1 PHE 85 -6.427 11.275 11.104 686 HD2 PHE 85 HD2 PHE 85 -8.381 12.447 7.515 687 HE1 PHE 85 HE1 PHE 85 -7.521 13.128 12.301 688 HE2 PHE 85 HE2 PHE 85 -9.478 14.296 8.700 689 HZ PHE 85 HZ PHE 85 -9.045 14.642 11.099 690 H VAL 86 H VAL 86 -2.826 10.499 7.462 691 HA VAL 86 HA VAL 86 -3.426 8.222 5.706 692 HB VAL 86 HB VAL 86 -2.199 9.939 4.557 693 HG11 VAL 86 1HG1 VAL 86 0.128 10.541 5.342 694 HG12 VAL 86 2HG1 VAL 86 -0.302 9.803 6.885 695 HG13 VAL 86 3HG1 VAL 86 -1.208 11.194 6.290 696 HG21 VAL 86 3HG2 VAL 86 -0.375 7.640 5.260 697 HG22 VAL 86 1HG2 VAL 86 -0.168 8.721 3.881 698 HG23 VAL 86 2HG2 VAL 86 -1.580 7.670 3.974 699 H HIS 87 H HIS 87 -2.789 6.219 6.205 700 HA HIS 87 HA HIS 87 -0.695 5.810 8.197 701 HB2 HIS 87 2HB HIS 87 -3.545 4.891 8.492 702 HB3 HIS 87 1HB HIS 87 -2.227 4.016 9.258 703 HD1 HIS 87 HD1 HIS 87 -4.604 6.530 9.996 704 HD2 HIS 87 HD2 HIS 87 -0.585 5.995 10.895 705 HE1 HIS 87 HE1 HIS 87 -4.156 8.003 11.981 706 H SER 88 H SER 88 0.665 4.772 6.861 707 HA SER 88 HA SER 88 -0.338 2.596 5.198 708 HB2 SER 88 2HB SER 88 2.509 3.565 5.230 709 HB3 SER 88 1HB SER 88 1.601 2.838 3.903 710 HG SER 88 HG SER 88 1.360 4.854 3.327 711 H ILE 89 H ILE 89 0.013 0.501 5.687 712 HA ILE 89 HA ILE 89 2.151 -0.175 7.561 713 HB ILE 89 HB ILE 89 0.332 -0.009 9.070 714 HG12 ILE 89 2HG1 ILE 89 0.653 -2.917 8.292 715 HG13 ILE 89 1HG1 ILE 89 1.718 -2.011 9.361 716 HG21 ILE 89 1HG2 ILE 89 -1.821 -1.127 8.746 717 HG22 ILE 89 2HG2 ILE 89 -1.295 -1.655 7.147 718 HG23 ILE 89 3HG2 ILE 89 -1.493 0.062 7.486 719 HD11 ILE 89 3HD1 ILE 89 0.264 -3.401 10.659 720 HD12 ILE 89 1HD1 ILE 89 -1.157 -2.726 9.864 721 HD13 ILE 89 2HD1 ILE 89 -0.170 -1.713 10.917 722 H ASP 90 H ASP 90 3.332 -1.685 6.684 723 HA ASP 90 HA ASP 90 2.147 -3.492 4.702 724 HB2 ASP 90 2HB ASP 90 4.727 -4.005 4.362 725 HB3 ASP 90 1HB ASP 90 3.990 -2.586 3.631 726 H SER 91 H SER 91 3.411 -5.717 4.706 727 HA SER 91 HA SER 91 3.287 -6.697 7.472 728 HB2 SER 91 2HB SER 91 2.796 -8.133 4.859 729 HB3 SER 91 1HB SER 91 2.841 -8.931 6.431 730 HG SER 91 HG SER 91 0.797 -8.450 6.465 731 H GLU 92 H GLU 92 5.653 -5.514 6.667 732 HA GLU 92 HA GLU 92 7.543 -7.320 5.630 733 HB2 GLU 92 2HB GLU 92 9.249 -5.813 6.595 734 HB3 GLU 92 1HB GLU 92 8.021 -4.941 5.693 735 HG2 GLU 92 2HG GLU 92 6.975 -4.205 7.737 736 HG3 GLU 92 1HG GLU 92 8.072 -5.200 8.693 737 H VAL 93 H VAL 93 8.690 -8.929 6.540 738 HA VAL 93 HA VAL 93 8.154 -9.495 9.369 739 HB VAL 93 HB VAL 93 7.260 -11.092 7.628 740 HG11 VAL 93 1HG1 VAL 93 8.656 -12.540 6.446 741 HG12 VAL 93 2HG1 VAL 93 10.071 -12.110 7.406 742 HG13 VAL 93 3HG1 VAL 93 9.403 -10.955 6.252 743 HG21 VAL 93 3HG2 VAL 93 9.138 -12.130 9.737 744 HG22 VAL 93 1HG2 VAL 93 7.942 -13.112 8.891 745 HG23 VAL 93 2HG2 VAL 93 7.421 -11.774 9.916 746 H ILE 94 H ILE 94 9.840 -10.261 10.693 747 HA ILE 94 HA ILE 94 12.466 -9.330 9.857 748 HB ILE 94 HB ILE 94 13.135 -9.713 12.199 749 HG12 ILE 94 2HG1 ILE 94 10.260 -10.245 12.880 750 HG13 ILE 94 1HG1 ILE 94 11.320 -11.580 12.451 751 HG21 ILE 94 1HG2 ILE 94 12.272 -7.554 11.524 752 HG22 ILE 94 2HG2 ILE 94 11.749 -7.924 13.167 753 HG23 ILE 94 3HG2 ILE 94 10.620 -8.095 11.822 754 HD11 ILE 94 3HD1 ILE 94 11.822 -9.622 14.671 755 HD12 ILE 94 1HD1 ILE 94 12.792 -11.041 14.280 756 HD13 ILE 94 2HD1 ILE 94 11.140 -11.237 14.869 757 H THR 95 H THR 95 10.943 -12.116 9.351 758 HA THR 95 HA THR 95 12.929 -13.983 10.252 759 HB THR 95 HB THR 95 10.838 -14.540 8.155 760 HG1 THR 95 HG1 THR 95 10.587 -14.306 10.974 761 HG21 THR 95 3HG2 THR 95 12.194 -16.254 10.246 762 HG22 THR 95 1HG2 THR 95 12.495 -16.289 8.508 763 HG23 THR 95 2HG2 THR 95 10.933 -16.803 9.144 764 H LYS 96 H LYS 96 14.829 -13.144 9.356 765 HA LYS 96 HA LYS 96 15.103 -13.603 6.463 766 HB2 LYS 96 2HB LYS 96 15.184 -11.144 7.405 767 HB3 LYS 96 1HB LYS 96 16.808 -11.601 7.898 768 HG2 LYS 96 2HG LYS 96 17.336 -12.167 5.561 769 HG3 LYS 96 1HG LYS 96 15.727 -11.618 5.090 770 HD2 LYS 96 2HD LYS 96 16.298 -9.385 6.105 771 HD3 LYS 96 1HD LYS 96 17.951 -9.976 6.289 772 HE2 LYS 96 2HE LYS 96 17.958 -10.440 3.825 773 HE3 LYS 96 1HE LYS 96 16.417 -9.591 3.729 774 HZ1 LYS 96 3HZ LYS 96 17.517 -7.622 4.649 775 HZ2 LYS 96 1HZ LYS 96 18.216 -8.115 3.189 776 HZ3 LYS 96 2HZ LYS 96 18.994 -8.448 4.650 777 H LYS 97 H LYS 97 17.005 -14.582 5.790 778 HA LYS 97 HA LYS 97 18.564 -15.803 7.949 779 HB2 LYS 97 2HB LYS 97 19.112 -17.586 6.463 780 HB3 LYS 97 1HB LYS 97 17.379 -17.322 6.330 781 HG2 LYS 97 2HG LYS 97 17.766 -16.044 4.247 782 HG3 LYS 97 1HG LYS 97 19.489 -16.398 4.379 783 HD2 LYS 97 2HD LYS 97 17.360 -18.529 4.253 784 HD3 LYS 97 1HD LYS 97 18.186 -17.899 2.828 785 HE2 LYS 97 2HE LYS 97 19.432 -19.344 5.165 786 HE3 LYS 97 1HE LYS 97 19.259 -19.941 3.518 787 HZ1 LYS 97 3HZ LYS 97 20.723 -18.098 2.804 788 HZ2 LYS 97 1HZ LYS 97 21.487 -19.198 3.835 789 HZ3 LYS 97 2HZ LYS 97 20.985 -17.701 4.428 790 H GLU 98 H GLU 98 20.880 -16.026 7.608 791 HA GLU 98 HA GLU 98 22.042 -13.572 6.833 792 HB2 GLU 98 2HB GLU 98 23.145 -16.230 7.673 793 HB3 GLU 98 1HB GLU 98 24.219 -14.970 7.081 794 HG2 GLU 98 2HG GLU 98 22.425 -14.874 9.486 795 HG3 GLU 98 1HG GLU 98 24.188 -14.835 9.446 796 H ALA 99 H ALA 99 22.909 -12.916 4.979 797 HA ALA 99 HA ALA 99 23.717 -14.781 2.924 798 HB1 ALA 99 1HB ALA 99 21.402 -12.891 2.499 799 HB2 ALA 99 2HB ALA 99 21.366 -14.653 2.426 800 HB3 ALA 99 3HB ALA 99 22.251 -13.738 1.206 801 H GLN 100 H GLN 100 25.587 -13.505 3.914 802 HA GLN 100 HA GLN 100 25.927 -10.777 3.135 803 HB2 GLN 100 2HB GLN 100 27.067 -11.873 5.088 804 HB3 GLN 100 1HB GLN 100 28.051 -12.775 3.944 805 HG2 GLN 100 2HG GLN 100 29.005 -10.717 3.089 806 HG3 GLN 100 1HG GLN 100 27.978 -9.765 4.162 807 HE21 GLN 100 1HE2 GLN 100 30.861 -9.787 4.022 808 HE22 GLN 100 2HE2 GLN 100 31.430 -10.284 5.577 809 H GLN 101 H GLN 101 26.691 -9.981 1.255 810 HA GLN 101 HA GLN 101 27.222 -11.843 -0.888 811 HB2 GLN 101 2HB GLN 101 25.850 -9.689 -1.063 812 HB3 GLN 101 1HB GLN 101 27.394 -8.843 -1.052 813 HG2 GLN 101 2HG GLN 101 26.634 -9.141 -3.335 814 HG3 GLN 101 1HG GLN 101 28.079 -10.113 -3.058 815 HE21 GLN 101 1HE2 GLN 101 27.667 -11.571 -4.671 816 HE22 GLN 101 2HE2 GLN 101 26.372 -12.710 -4.604 817 H ILE 102 H ILE 102 29.166 -12.784 -0.336 818 HA ILE 102 HA ILE 102 31.504 -11.108 -0.841 819 HB ILE 102 HB ILE 102 31.539 -11.128 1.525 820 HG12 ILE 102 2HG1 ILE 102 33.343 -13.397 0.663 821 HG13 ILE 102 1HG1 ILE 102 33.698 -11.691 0.424 822 HG21 ILE 102 1HG2 ILE 102 29.876 -12.841 1.917 823 HG22 ILE 102 2HG2 ILE 102 31.317 -13.147 2.886 824 HG23 ILE 102 3HG2 ILE 102 31.021 -14.091 1.427 825 HD11 ILE 102 3HD1 ILE 102 34.876 -12.575 2.353 826 HD12 ILE 102 1HD1 ILE 102 33.343 -13.064 3.074 827 HD13 ILE 102 2HD1 ILE 102 33.700 -11.353 2.842 828 H ARG 103 H ARG 103 32.465 -12.003 -2.540 829 HA ARG 103 HA ARG 103 32.665 -14.936 -2.656 830 HB2 ARG 103 2HB ARG 103 32.075 -13.024 -4.918 831 HB3 ARG 103 1HB ARG 103 32.564 -14.698 -5.163 832 HG2 ARG 103 2HG ARG 103 30.147 -13.957 -3.527 833 HG3 ARG 103 1HG ARG 103 30.070 -14.213 -5.273 834 HD2 ARG 103 2HD ARG 103 31.046 -16.475 -4.919 835 HD3 ARG 103 1HD ARG 103 30.942 -16.205 -3.180 836 HE ARG 103 HE ARG 103 28.486 -15.974 -3.542 837 HH11 ARG 103 1HH1 ARG 103 30.460 -17.816 -5.799 838 HH12 ARG 103 2HH1 ARG 103 29.130 -18.813 -6.316 839 HH21 ARG 103 1HH2 ARG 103 26.759 -17.288 -4.228 840 HH22 ARG 103 2HH2 ARG 103 27.030 -18.515 -5.427 841 H GLU 104 H GLU 104 34.735 -15.452 -2.380 842 HA GLU 104 HA GLU 104 36.855 -13.628 -3.114 843 HB2 GLU 104 2HB GLU 104 36.695 -15.236 -1.044 844 HB3 GLU 104 1HB GLU 104 37.319 -16.435 -2.166 845 HG2 GLU 104 2HG GLU 104 39.236 -14.925 -2.618 846 HG3 GLU 104 1HG GLU 104 38.635 -13.861 -1.350 847 H GLU 105 H GLU 105 35.319 -14.500 -5.282 848 HA GLU 105 HA GLU 105 37.052 -16.399 -6.687 849 HB2 GLU 105 2HB GLU 105 34.298 -15.417 -7.465 850 HB3 GLU 105 1HB GLU 105 35.213 -16.700 -8.246 851 HG2 GLU 105 2HG GLU 105 35.069 -18.041 -6.202 852 HG3 GLU 105 1HG GLU 105 34.134 -16.756 -5.434 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -26.604 -32.841 3.591 2 HA2 GLY 1 1HA GLY 1 -27.530 -31.792 1.645 3 HA3 GLY 1 2HA GLY 1 -27.649 -30.734 3.043 4 H SER 2 H SER 2 -26.347 -28.892 3.159 5 HA SER 2 HA SER 2 -25.037 -28.175 0.626 6 HB2 SER 2 2HB SER 2 -27.184 -26.931 1.318 7 HB3 SER 2 1HB SER 2 -26.200 -26.185 2.573 8 HG SER 2 HG SER 2 -26.308 -25.652 -0.087 9 H HIS 3 H HIS 3 -23.581 -26.110 1.155 10 HA HIS 3 HA HIS 3 -22.166 -26.238 3.643 11 HB2 HIS 3 2HB HIS 3 -21.269 -28.182 2.194 12 HB3 HIS 3 1HB HIS 3 -20.535 -26.923 1.207 13 HD1 HIS 3 HD1 HIS 3 -18.226 -26.338 1.860 14 HD2 HIS 3 HD2 HIS 3 -20.401 -27.885 5.051 15 HE1 HIS 3 HE1 HIS 3 -16.611 -26.466 3.780 16 H MET 4 H MET 4 -21.736 -24.178 4.059 17 HA MET 4 HA MET 4 -21.483 -22.319 1.813 18 HB2 MET 4 2HB MET 4 -22.110 -21.940 4.735 19 HB3 MET 4 1HB MET 4 -21.686 -20.587 3.696 20 HG2 MET 4 2HG MET 4 -23.571 -21.193 2.212 21 HG3 MET 4 1HG MET 4 -24.019 -22.454 3.357 22 HE1 MET 4 3HE MET 4 -26.822 -19.799 3.903 23 HE2 MET 4 1HE MET 4 -26.447 -21.464 3.464 24 HE3 MET 4 2HE MET 4 -26.030 -20.147 2.367 25 H LYS 5 H LYS 5 -20.000 -20.378 2.371 26 HA LYS 5 HA LYS 5 -17.357 -21.505 2.855 27 HB2 LYS 5 2HB LYS 5 -17.555 -20.274 0.819 28 HB3 LYS 5 1HB LYS 5 -18.313 -18.917 1.637 29 HG2 LYS 5 2HG LYS 5 -16.255 -18.324 2.699 30 HG3 LYS 5 1HG LYS 5 -15.479 -19.799 2.122 31 HD2 LYS 5 2HD LYS 5 -14.860 -17.778 0.821 32 HD3 LYS 5 1HD LYS 5 -15.608 -19.041 -0.159 33 HE2 LYS 5 2HE LYS 5 -17.534 -17.147 0.951 34 HE3 LYS 5 1HE LYS 5 -16.343 -16.382 -0.099 35 HZ1 LYS 5 3HZ LYS 5 -18.036 -18.708 -0.828 36 HZ2 LYS 5 1HZ LYS 5 -16.913 -17.953 -1.840 37 HZ3 LYS 5 2HZ LYS 5 -18.291 -17.116 -1.330 38 H THR 6 H THR 6 -16.574 -21.420 4.834 39 HA THR 6 HA THR 6 -17.567 -19.535 6.766 40 HB THR 6 HB THR 6 -15.390 -20.808 7.916 41 HG1 THR 6 HG1 THR 6 -15.642 -22.996 7.256 42 HG21 THR 6 3HG2 THR 6 -17.603 -20.504 8.925 43 HG22 THR 6 1HG2 THR 6 -17.075 -22.184 9.043 44 HG23 THR 6 2HG2 THR 6 -18.267 -21.719 7.831 45 H LYS 7 H LYS 7 -14.376 -20.234 5.320 46 HA LYS 7 HA LYS 7 -13.626 -17.469 5.990 47 HB2 LYS 7 2HB LYS 7 -11.362 -18.142 6.435 48 HB3 LYS 7 1HB LYS 7 -12.438 -19.118 7.422 49 HG2 LYS 7 2HG LYS 7 -11.593 -20.224 4.794 50 HG3 LYS 7 1HG LYS 7 -10.404 -20.186 6.098 51 HD2 LYS 7 2HD LYS 7 -12.040 -21.379 7.546 52 HD3 LYS 7 1HD LYS 7 -13.118 -21.510 6.155 53 HE2 LYS 7 2HE LYS 7 -12.033 -23.542 6.108 54 HE3 LYS 7 1HE LYS 7 -11.060 -22.586 4.991 55 HZ1 LYS 7 3HZ LYS 7 -9.608 -23.764 6.443 56 HZ2 LYS 7 1HZ LYS 7 -10.426 -23.225 7.822 57 HZ3 LYS 7 2HZ LYS 7 -9.538 -22.134 6.879 58 H LYS 8 H LYS 8 -12.091 -16.468 4.559 59 HA LYS 8 HA LYS 8 -12.157 -17.620 1.849 60 HB2 LYS 8 2HB LYS 8 -11.908 -15.141 1.136 61 HB3 LYS 8 1HB LYS 8 -13.487 -15.722 1.640 62 HG2 LYS 8 2HG LYS 8 -11.724 -14.477 3.699 63 HG3 LYS 8 1HG LYS 8 -12.508 -13.421 2.521 64 HD2 LYS 8 2HD LYS 8 -14.066 -15.467 4.090 65 HD3 LYS 8 1HD LYS 8 -13.718 -13.865 4.740 66 HE2 LYS 8 2HE LYS 8 -14.812 -12.853 2.779 67 HE3 LYS 8 1HE LYS 8 -15.192 -14.463 2.176 68 HZ1 LYS 8 3HZ LYS 8 -16.159 -13.310 4.737 69 HZ2 LYS 8 1HZ LYS 8 -16.539 -14.849 4.141 70 HZ3 LYS 8 2HZ LYS 8 -17.068 -13.468 3.322 71 H GLN 9 H GLN 9 -10.326 -17.205 0.510 72 HA GLN 9 HA GLN 9 -7.871 -17.152 2.084 73 HB2 GLN 9 2HB GLN 9 -8.225 -17.842 -0.840 74 HB3 GLN 9 1HB GLN 9 -6.800 -18.135 0.146 75 HG2 GLN 9 2HG GLN 9 -9.499 -19.418 0.507 76 HG3 GLN 9 1HG GLN 9 -8.069 -20.175 -0.194 77 HE21 GLN 9 1HE2 GLN 9 -9.650 -20.951 2.159 78 HE22 GLN 9 2HE2 GLN 9 -8.527 -20.989 3.471 79 H GLN 10 H GLN 10 -8.979 -15.763 -1.009 80 HA GLN 10 HA GLN 10 -7.064 -13.569 -0.607 81 HB2 GLN 10 2HB GLN 10 -8.398 -14.367 -3.193 82 HB3 GLN 10 1HB GLN 10 -7.032 -13.276 -2.985 83 HG2 GLN 10 2HG GLN 10 -5.596 -15.080 -2.362 84 HG3 GLN 10 1HG GLN 10 -6.953 -16.203 -2.303 85 HE21 GLN 10 1HE2 GLN 10 -4.780 -14.428 -4.342 86 HE22 GLN 10 2HE2 GLN 10 -5.148 -15.288 -5.810 87 H TYR 11 H TYR 11 -7.778 -11.535 -0.425 88 HA TYR 11 HA TYR 11 -10.542 -10.917 -1.161 89 HB2 TYR 11 2HB TYR 11 -9.902 -11.434 1.448 90 HB3 TYR 11 1HB TYR 11 -9.684 -9.689 1.369 91 HD1 TYR 11 HD2 TYR 11 -12.116 -12.375 0.584 92 HD2 TYR 11 HD1 TYR 11 -11.540 -8.272 1.537 93 HE1 TYR 11 HE2 TYR 11 -14.550 -12.091 0.797 94 HE2 TYR 11 HE1 TYR 11 -13.973 -7.974 1.749 95 HH TYR 11 HH TYR 11 -16.067 -9.191 0.767 96 H VAL 12 H VAL 12 -10.788 -8.912 -2.032 97 HA VAL 12 HA VAL 12 -8.656 -6.956 -1.616 98 HB VAL 12 HB VAL 12 -8.042 -8.135 -3.683 99 HG11 VAL 12 1HG1 VAL 12 -10.215 -8.882 -4.423 100 HG12 VAL 12 2HG1 VAL 12 -9.451 -7.926 -5.693 101 HG13 VAL 12 3HG1 VAL 12 -10.726 -7.216 -4.700 102 HG21 VAL 12 3HG2 VAL 12 -7.822 -6.184 -5.139 103 HG22 VAL 12 1HG2 VAL 12 -7.482 -5.770 -3.459 104 HG23 VAL 12 2HG2 VAL 12 -9.029 -5.327 -4.181 105 H THR 13 H THR 13 -9.322 -4.870 -1.593 106 HA THR 13 HA THR 13 -11.848 -4.046 -2.690 107 HB THR 13 HB THR 13 -12.797 -4.853 -0.677 108 HG1 THR 13 HG1 THR 13 -13.763 -2.977 -0.650 109 HG21 THR 13 3HG2 THR 13 -10.642 -3.438 0.891 110 HG22 THR 13 1HG2 THR 13 -10.659 -5.169 0.551 111 HG23 THR 13 2HG2 THR 13 -11.930 -4.452 1.542 112 H ILE 14 H ILE 14 -11.620 -2.008 -3.399 113 HA ILE 14 HA ILE 14 -9.563 -0.326 -2.136 114 HB ILE 14 HB ILE 14 -10.146 -0.246 -5.093 115 HG12 ILE 14 2HG1 ILE 14 -7.841 -1.717 -3.799 116 HG13 ILE 14 1HG1 ILE 14 -9.298 -2.516 -4.380 117 HG21 ILE 14 1HG2 ILE 14 -9.088 1.729 -4.140 118 HG22 ILE 14 2HG2 ILE 14 -7.969 0.872 -5.200 119 HG23 ILE 14 3HG2 ILE 14 -7.810 0.730 -3.448 120 HD11 ILE 14 3HD1 ILE 14 -7.352 -0.943 -6.052 121 HD12 ILE 14 1HD1 ILE 14 -8.819 -1.725 -6.643 122 HD13 ILE 14 2HD1 ILE 14 -7.503 -2.699 -5.991 123 H LYS 15 H LYS 15 -10.042 1.812 -1.901 124 HA LYS 15 HA LYS 15 -12.452 2.921 -3.095 125 HB2 LYS 15 2HB LYS 15 -13.033 1.799 -0.856 126 HB3 LYS 15 1HB LYS 15 -12.062 3.059 -0.107 127 HG2 LYS 15 2HG LYS 15 -13.544 4.770 -0.909 128 HG3 LYS 15 1HG LYS 15 -14.448 3.599 -1.872 129 HD2 LYS 15 2HD LYS 15 -15.692 4.091 0.129 130 HD3 LYS 15 1HD LYS 15 -15.085 2.436 0.226 131 HE2 LYS 15 2HE LYS 15 -13.389 3.055 1.780 132 HE3 LYS 15 1HE LYS 15 -13.643 4.774 1.482 133 HZ1 LYS 15 3HZ LYS 15 -15.599 4.773 2.697 134 HZ2 LYS 15 1HZ LYS 15 -14.617 3.723 3.587 135 HZ3 LYS 15 2HZ LYS 15 -15.812 3.100 2.571 136 H GLY 16 H GLY 16 -12.580 5.278 -2.690 137 HA2 GLY 16 2HA GLY 16 -10.638 6.849 -1.508 138 HA3 GLY 16 1HA GLY 16 -10.027 6.482 -3.117 139 H THR 17 H THR 17 -12.518 6.440 -4.448 140 HA THR 17 HA THR 17 -12.829 9.032 -5.288 141 HB THR 17 HB THR 17 -13.629 7.179 -6.606 142 HG1 THR 17 HG1 THR 17 -15.138 9.359 -6.089 143 HG21 THR 17 3HG2 THR 17 -15.591 5.879 -6.021 144 HG22 THR 17 1HG2 THR 17 -15.792 6.806 -4.535 145 HG23 THR 17 2HG2 THR 17 -14.389 5.758 -4.735 146 H LYS 18 H LYS 18 -14.081 7.678 -2.376 147 HA LYS 18 HA LYS 18 -15.710 10.100 -2.002 148 HB2 LYS 18 2HB LYS 18 -16.456 7.280 -1.675 149 HB3 LYS 18 1HB LYS 18 -16.877 8.302 -0.308 150 HG2 LYS 18 2HG LYS 18 -17.615 8.951 -3.146 151 HG3 LYS 18 1HG LYS 18 -18.658 8.043 -2.051 152 HD2 LYS 18 2HD LYS 18 -19.428 9.959 -1.233 153 HD3 LYS 18 1HD LYS 18 -17.804 10.358 -0.670 154 HE2 LYS 18 2HE LYS 18 -18.460 12.165 -2.021 155 HE3 LYS 18 1HE LYS 18 -17.356 11.214 -3.011 156 HZ1 LYS 18 3HZ LYS 18 -20.324 11.118 -3.171 157 HZ2 LYS 18 1HZ LYS 18 -19.249 10.234 -4.137 158 HZ3 LYS 18 2HZ LYS 18 -19.304 11.920 -4.259 159 H ASN 19 H ASN 19 -12.963 9.650 -1.316 160 HA ASN 19 HA ASN 19 -12.879 10.736 1.252 161 HB2 ASN 19 2HB ASN 19 -13.526 8.322 1.816 162 HB3 ASN 19 1HB ASN 19 -11.918 7.866 1.267 163 HD21 ASN 19 1HD2 ASN 19 -13.554 10.083 3.499 164 HD22 ASN 19 2HD2 ASN 19 -12.352 9.987 4.739 165 H GLY 20 H GLY 20 -10.239 9.177 1.767 166 HA2 GLY 20 2HA GLY 20 -8.662 10.769 -0.131 167 HA3 GLY 20 1HA GLY 20 -8.085 10.132 1.405 168 H LEU 21 H LEU 21 -7.938 7.738 1.567 169 HA LEU 21 HA LEU 21 -7.785 6.249 -0.897 170 HB2 LEU 21 2HB LEU 21 -5.617 7.542 -0.741 171 HB3 LEU 21 1HB LEU 21 -5.257 6.613 0.701 172 HG LEU 21 HG LEU 21 -5.487 4.534 -0.720 173 HD11 LEU 21 1HD1 LEU 21 -5.136 4.857 -3.137 174 HD12 LEU 21 2HD1 LEU 21 -5.396 6.587 -2.919 175 HD13 LEU 21 3HD1 LEU 21 -6.701 5.450 -2.582 176 HD21 LEU 21 3HD2 LEU 21 -3.279 6.372 -1.605 177 HD22 LEU 21 1HD2 LEU 21 -3.239 4.621 -1.424 178 HD23 LEU 21 2HD2 LEU 21 -3.336 5.650 0.004 179 H THR 22 H THR 22 -8.846 4.479 -0.264 180 HA THR 22 HA THR 22 -8.058 3.231 2.290 181 HB THR 22 HB THR 22 -10.734 2.496 1.531 182 HG1 THR 22 HG1 THR 22 -10.103 5.254 1.535 183 HG21 THR 22 3HG2 THR 22 -9.837 2.305 3.781 184 HG22 THR 22 1HG2 THR 22 -11.262 3.342 3.778 185 HG23 THR 22 2HG2 THR 22 -9.653 4.054 3.878 186 H LEU 23 H LEU 23 -6.774 1.576 1.529 187 HA LEU 23 HA LEU 23 -8.085 -0.264 -0.342 188 HB2 LEU 23 2HB LEU 23 -5.987 -0.711 -1.474 189 HB3 LEU 23 1HB LEU 23 -6.401 0.984 -1.586 190 HG LEU 23 HG LEU 23 -4.456 0.002 0.486 191 HD11 LEU 23 1HD1 LEU 23 -3.731 -0.766 -1.753 192 HD12 LEU 23 2HD1 LEU 23 -2.642 0.415 -1.029 193 HD13 LEU 23 3HD1 LEU 23 -3.761 0.909 -2.301 194 HD21 LEU 23 3HD2 LEU 23 -4.853 2.654 -0.896 195 HD22 LEU 23 1HD2 LEU 23 -3.608 2.299 0.299 196 HD23 LEU 23 2HD2 LEU 23 -5.307 2.266 0.763 197 H HIS 24 H HIS 24 -7.944 -2.375 0.080 198 HA HIS 24 HA HIS 24 -6.191 -3.307 2.239 199 HB2 HIS 24 2HB HIS 24 -8.359 -2.800 3.272 200 HB3 HIS 24 1HB HIS 24 -9.178 -3.774 2.064 201 HD1 HIS 24 HD1 HIS 24 -7.873 -3.945 5.411 202 HD2 HIS 24 HD2 HIS 24 -8.409 -6.643 2.294 203 HE1 HIS 24 HE1 HIS 24 -7.831 -6.226 6.470 204 H LEU 25 H LEU 25 -5.147 -5.111 1.600 205 HA LEU 25 HA LEU 25 -6.444 -6.847 -0.389 206 HB2 LEU 25 2HB LEU 25 -4.828 -5.442 -1.558 207 HB3 LEU 25 1HB LEU 25 -3.570 -5.916 -0.435 208 HG LEU 25 HG LEU 25 -3.659 -8.213 -1.280 209 HD11 LEU 25 1HD1 LEU 25 -5.771 -7.139 -3.142 210 HD12 LEU 25 2HD1 LEU 25 -5.984 -8.370 -1.896 211 HD13 LEU 25 3HD1 LEU 25 -4.980 -8.705 -3.307 212 HD21 LEU 25 3HD2 LEU 25 -2.711 -7.791 -3.474 213 HD22 LEU 25 1HD2 LEU 25 -2.161 -6.569 -2.326 214 HD23 LEU 25 2HD2 LEU 25 -3.425 -6.179 -3.494 215 H ASP 26 H ASP 26 -6.454 -8.929 0.154 216 HA ASP 26 HA ASP 26 -4.630 -9.860 2.283 217 HB2 ASP 26 2HB ASP 26 -7.532 -10.341 1.775 218 HB3 ASP 26 1HB ASP 26 -6.590 -11.679 2.420 219 H ASP 27 H ASP 27 -3.041 -10.942 1.250 220 HA ASP 27 HA ASP 27 -3.612 -13.383 -0.108 221 HB2 ASP 27 2HB ASP 27 -3.840 -11.400 -1.860 222 HB3 ASP 27 1HB ASP 27 -2.082 -11.476 -1.845 223 H ALA 28 H ALA 28 -1.164 -13.845 -1.328 224 HA ALA 28 HA ALA 28 1.001 -12.934 0.332 225 HB1 ALA 28 1HB ALA 28 0.022 -14.553 1.856 226 HB2 ALA 28 2HB ALA 28 1.585 -15.122 1.270 227 HB3 ALA 28 3HB ALA 28 0.094 -15.798 0.611 228 H CYS 29 H CYS 29 2.921 -13.186 -0.653 229 HA CYS 29 HA CYS 29 4.485 -13.653 -2.215 230 HB2 CYS 29 2HB CYS 29 2.857 -16.095 -2.912 231 HB3 CYS 29 1HB CYS 29 4.574 -15.836 -3.208 232 HG CYS 29 HG CYS 29 4.292 -15.439 -0.047 233 H SER 30 H SER 30 1.651 -12.488 -2.921 234 HA SER 30 HA SER 30 1.866 -12.736 -5.834 235 HB2 SER 30 2HB SER 30 -0.396 -11.626 -4.145 236 HB3 SER 30 1HB SER 30 -0.421 -11.834 -5.896 237 HG SER 30 HG SER 30 -1.061 -13.611 -4.031 238 H PHE 31 H PHE 31 1.645 -10.816 -7.136 239 HA PHE 31 HA PHE 31 3.203 -8.629 -6.079 240 HB2 PHE 31 2HB PHE 31 2.659 -7.762 -8.536 241 HB3 PHE 31 1HB PHE 31 3.880 -8.996 -8.248 242 HD1 PHE 31 HD2 PHE 31 0.388 -8.443 -9.335 243 HD2 PHE 31 HD1 PHE 31 3.649 -11.173 -9.127 244 HE1 PHE 31 HE2 PHE 31 -0.799 -9.972 -10.853 245 HE2 PHE 31 HE1 PHE 31 2.467 -12.704 -10.648 246 HZ PHE 31 HZ PHE 31 0.241 -12.103 -11.507 247 H ASP 32 H ASP 32 2.525 -6.581 -5.673 248 HA ASP 32 HA ASP 32 -0.372 -6.198 -5.539 249 HB2 ASP 32 2HB ASP 32 0.404 -4.126 -4.143 250 HB3 ASP 32 1HB ASP 32 0.433 -5.729 -3.426 251 H GLU 33 H GLU 33 1.460 -5.822 -7.950 252 HA GLU 33 HA GLU 33 1.669 -3.113 -8.588 253 HB2 GLU 33 2HB GLU 33 1.746 -3.852 -10.955 254 HB3 GLU 33 1HB GLU 33 2.819 -4.774 -9.914 255 HG2 GLU 33 2HG GLU 33 1.463 -6.676 -10.004 256 HG3 GLU 33 1HG GLU 33 0.074 -5.766 -10.598 257 H LEU 34 H LEU 34 -1.004 -5.362 -8.979 258 HA LEU 34 HA LEU 34 -2.669 -3.632 -10.486 259 HB2 LEU 34 2HB LEU 34 -2.840 -6.179 -10.156 260 HB3 LEU 34 1HB LEU 34 -3.659 -5.796 -8.655 261 HG LEU 34 HG LEU 34 -5.344 -4.495 -10.014 262 HD11 LEU 34 1HD1 LEU 34 -5.472 -5.146 -12.422 263 HD12 LEU 34 2HD1 LEU 34 -3.850 -5.820 -12.266 264 HD13 LEU 34 3HD1 LEU 34 -4.116 -4.095 -12.017 265 HD21 LEU 34 3HD2 LEU 34 -5.885 -6.683 -9.161 266 HD22 LEU 34 1HD2 LEU 34 -5.030 -7.454 -10.497 267 HD23 LEU 34 2HD2 LEU 34 -6.506 -6.539 -10.806 268 H LEU 35 H LEU 35 -1.875 -3.866 -7.163 269 HA LEU 35 HA LEU 35 -4.185 -2.389 -6.225 270 HB2 LEU 35 2HB LEU 35 -2.988 -4.202 -4.921 271 HB3 LEU 35 1HB LEU 35 -1.656 -3.081 -4.732 272 HG LEU 35 HG LEU 35 -3.299 -1.508 -3.614 273 HD11 LEU 35 1HD1 LEU 35 -5.298 -2.544 -2.644 274 HD12 LEU 35 2HD1 LEU 35 -4.978 -4.011 -3.568 275 HD13 LEU 35 3HD1 LEU 35 -5.361 -2.509 -4.405 276 HD21 LEU 35 3HD2 LEU 35 -2.620 -4.170 -2.375 277 HD22 LEU 35 1HD2 LEU 35 -3.221 -2.779 -1.471 278 HD23 LEU 35 2HD2 LEU 35 -1.673 -2.683 -2.313 279 H ASP 36 H ASP 36 -0.731 -1.903 -6.757 280 HA ASP 36 HA ASP 36 -0.509 0.716 -5.808 281 HB2 ASP 36 2HB ASP 36 1.550 -0.279 -6.203 282 HB3 ASP 36 1HB ASP 36 1.052 -0.931 -7.762 283 H GLY 37 H GLY 37 -1.481 -0.535 -8.963 284 HA2 GLY 37 2HA GLY 37 -1.477 1.759 -10.498 285 HA3 GLY 37 1HA GLY 37 -2.656 0.468 -10.672 286 H LEU 38 H LEU 38 -4.070 0.631 -8.343 287 HA LEU 38 HA LEU 38 -5.691 2.949 -8.824 288 HB2 LEU 38 2HB LEU 38 -5.853 0.586 -7.002 289 HB3 LEU 38 1HB LEU 38 -6.855 1.984 -6.670 290 HG LEU 38 HG LEU 38 -8.189 0.448 -7.897 291 HD11 LEU 38 1HD1 LEU 38 -8.872 1.731 -9.759 292 HD12 LEU 38 2HD1 LEU 38 -7.268 2.437 -9.952 293 HD13 LEU 38 3HD1 LEU 38 -8.263 2.876 -8.563 294 HD21 LEU 38 3HD2 LEU 38 -5.959 0.346 -9.925 295 HD22 LEU 38 1HD2 LEU 38 -7.528 -0.446 -10.079 296 HD23 LEU 38 2HD2 LEU 38 -6.410 -0.942 -8.807 297 H GLN 39 H GLN 39 -3.517 1.837 -6.284 298 HA GLN 39 HA GLN 39 -3.961 3.787 -4.353 299 HB2 GLN 39 2HB GLN 39 -2.613 1.849 -3.876 300 HB3 GLN 39 1HB GLN 39 -1.449 2.296 -5.112 301 HG2 GLN 39 2HG GLN 39 -0.912 4.325 -3.774 302 HG3 GLN 39 1HG GLN 39 -1.954 3.693 -2.502 303 HE21 GLN 39 1HE2 GLN 39 1.024 3.255 -4.244 304 HE22 GLN 39 2HE2 GLN 39 1.766 2.164 -3.124 305 H ASN 40 H ASN 40 -1.658 3.771 -7.031 306 HA ASN 40 HA ASN 40 -0.572 6.337 -6.503 307 HB2 ASN 40 2HB ASN 40 -0.107 4.255 -8.409 308 HB3 ASN 40 1HB ASN 40 -0.340 5.759 -9.289 309 HD21 ASN 40 1HD2 ASN 40 1.736 3.948 -7.225 310 HD22 ASN 40 2HD2 ASN 40 3.031 5.099 -7.188 311 H MET 41 H MET 41 -3.006 5.213 -8.812 312 HA MET 41 HA MET 41 -3.472 7.652 -10.087 313 HB2 MET 41 2HB MET 41 -4.235 5.511 -10.974 314 HB3 MET 41 1HB MET 41 -5.371 5.350 -9.643 315 HG2 MET 41 2HG MET 41 -6.524 7.388 -10.430 316 HG3 MET 41 1HG MET 41 -5.437 7.431 -11.816 317 HE1 MET 41 3HE MET 41 -7.550 7.462 -13.454 318 HE2 MET 41 1HE MET 41 -8.609 7.436 -12.045 319 HE3 MET 41 2HE MET 41 -8.863 6.289 -13.360 320 H LEU 42 H LEU 42 -5.380 6.155 -7.457 321 HA LEU 42 HA LEU 42 -7.237 8.225 -7.222 322 HB2 LEU 42 2HB LEU 42 -6.284 6.215 -5.197 323 HB3 LEU 42 1HB LEU 42 -7.634 7.295 -4.922 324 HG LEU 42 HG LEU 42 -7.564 5.387 -7.249 325 HD11 LEU 42 1HD1 LEU 42 -8.684 4.932 -4.490 326 HD12 LEU 42 2HD1 LEU 42 -7.350 4.060 -5.243 327 HD13 LEU 42 3HD1 LEU 42 -8.982 3.904 -5.892 328 HD21 LEU 42 3HD2 LEU 42 -9.815 6.815 -5.837 329 HD22 LEU 42 1HD2 LEU 42 -9.981 5.710 -7.203 330 HD23 LEU 42 2HD2 LEU 42 -9.138 7.247 -7.409 331 H SER 43 H SER 43 -4.189 7.767 -5.442 332 HA SER 43 HA SER 43 -4.497 9.872 -3.628 333 HB2 SER 43 2HB SER 43 -1.926 8.811 -4.824 334 HB3 SER 43 1HB SER 43 -2.064 9.763 -3.345 335 HG SER 43 HG SER 43 -2.739 7.096 -3.835 336 H ILE 44 H ILE 44 -3.539 9.935 -6.995 337 HA ILE 44 HA ILE 44 -2.767 12.751 -6.767 338 HB ILE 44 HB ILE 44 -2.652 10.996 -9.225 339 HG12 ILE 44 2HG1 ILE 44 -0.434 11.637 -7.266 340 HG13 ILE 44 1HG1 ILE 44 -1.266 10.090 -7.370 341 HG21 ILE 44 1HG2 ILE 44 -1.102 12.663 -10.071 342 HG22 ILE 44 2HG2 ILE 44 -1.244 13.583 -8.575 343 HG23 ILE 44 3HG2 ILE 44 -2.636 13.420 -9.646 344 HD11 ILE 44 3HD1 ILE 44 0.862 9.969 -8.486 345 HD12 ILE 44 1HD1 ILE 44 0.443 11.348 -9.503 346 HD13 ILE 44 2HD1 ILE 44 -0.440 9.829 -9.668 347 H GLU 45 H GLU 45 -5.316 10.711 -7.924 348 HA GLU 45 HA GLU 45 -6.525 12.681 -9.625 349 HB2 GLU 45 2HB GLU 45 -6.816 10.323 -10.106 350 HB3 GLU 45 1HB GLU 45 -7.583 10.071 -8.544 351 HG2 GLU 45 2HG GLU 45 -9.391 11.614 -9.245 352 HG3 GLU 45 1HG GLU 45 -8.643 11.688 -10.841 353 H GLN 46 H GLN 46 -7.603 11.183 -6.551 354 HA GLN 46 HA GLN 46 -8.693 13.744 -5.743 355 HB2 GLN 46 2HB GLN 46 -10.489 12.603 -7.104 356 HB3 GLN 46 1HB GLN 46 -10.524 11.352 -5.866 357 HG2 GLN 46 2HG GLN 46 -10.840 13.459 -4.274 358 HG3 GLN 46 1HG GLN 46 -11.499 14.157 -5.753 359 HE21 GLN 46 1HE2 GLN 46 -11.918 11.776 -3.267 360 HE22 GLN 46 2HE2 GLN 46 -13.542 11.338 -3.684 361 H TYR 47 H TYR 47 -7.251 13.667 -4.048 362 HA TYR 47 HA TYR 47 -7.574 11.490 -2.107 363 HB2 TYR 47 2HB TYR 47 -5.496 12.244 -1.131 364 HB3 TYR 47 1HB TYR 47 -5.270 12.140 -2.874 365 HD1 TYR 47 HD1 TYR 47 -5.447 14.304 -4.227 366 HD2 TYR 47 HD2 TYR 47 -5.060 14.256 0.009 367 HE1 TYR 47 HE1 TYR 47 -4.711 16.647 -4.271 368 HE2 TYR 47 HE2 TYR 47 -4.320 16.602 -0.030 369 HH TYR 47 HH TYR 47 -3.268 18.183 -1.666 370 H THR 48 H THR 48 -8.742 14.514 -2.761 371 HA THR 48 HA THR 48 -8.906 15.515 -0.067 372 HB THR 48 HB THR 48 -10.594 16.660 -2.230 373 HG1 THR 48 HG1 THR 48 -8.965 17.248 -3.468 374 HG21 THR 48 3HG2 THR 48 -10.466 17.689 0.000 375 HG22 THR 48 1HG2 THR 48 -9.851 18.766 -1.253 376 HG23 THR 48 2HG2 THR 48 -8.727 17.902 -0.203 377 H ASP 49 H ASP 49 -10.494 15.066 1.335 378 HA ASP 49 HA ASP 49 -12.908 13.720 0.338 379 HB2 ASP 49 2HB ASP 49 -11.712 12.418 1.983 380 HB3 ASP 49 1HB ASP 49 -11.637 13.787 3.078 381 H GLY 50 H GLY 50 -11.902 16.085 2.808 382 HA2 GLY 50 2HA GLY 50 -12.928 18.278 2.846 383 HA3 GLY 50 1HA GLY 50 -14.416 17.537 2.277 384 H LYS 51 H LYS 51 -14.082 15.259 4.142 385 HA LYS 51 HA LYS 51 -14.999 16.659 6.566 386 HB2 LYS 51 2HB LYS 51 -15.532 13.795 5.747 387 HB3 LYS 51 1HB LYS 51 -16.249 14.648 7.106 388 HG2 LYS 51 2HG LYS 51 -17.967 14.962 5.699 389 HG3 LYS 51 1HG LYS 51 -16.972 16.270 5.059 390 HD2 LYS 51 2HD LYS 51 -16.027 14.628 3.415 391 HD3 LYS 51 1HD LYS 51 -17.215 13.460 3.986 392 HE2 LYS 51 2HE LYS 51 -17.939 16.168 2.887 393 HE3 LYS 51 1HE LYS 51 -17.838 14.714 1.898 394 HZ1 LYS 51 3HZ LYS 51 -19.502 13.703 3.406 395 HZ2 LYS 51 1HZ LYS 51 -20.088 15.023 2.529 396 HZ3 LYS 51 2HZ LYS 51 -19.687 15.205 4.156 397 H GLY 52 H GLY 52 -13.165 13.860 5.433 398 HA2 GLY 52 2HA GLY 52 -11.012 14.274 7.219 399 HA3 GLY 52 1HA GLY 52 -12.091 13.056 7.886 400 H GLN 53 H GLN 53 -10.145 13.895 5.065 401 HA GLN 53 HA GLN 53 -10.415 11.397 3.781 402 HB2 GLN 53 2HB GLN 53 -8.282 12.128 2.557 403 HB3 GLN 53 1HB GLN 53 -9.713 13.126 2.367 404 HG2 GLN 53 2HG GLN 53 -7.972 13.939 4.570 405 HG3 GLN 53 1HG GLN 53 -7.226 14.035 2.976 406 HE21 GLN 53 1HE2 GLN 53 -7.193 16.191 2.738 407 HE22 GLN 53 2HE2 GLN 53 -8.596 17.197 2.699 408 H LYS 54 H LYS 54 -9.628 9.499 4.327 409 HA LYS 54 HA LYS 54 -7.269 9.413 6.071 410 HB2 LYS 54 2HB LYS 54 -9.167 8.480 7.201 411 HB3 LYS 54 1HB LYS 54 -9.600 7.509 5.799 412 HG2 LYS 54 2HG LYS 54 -7.652 6.131 6.097 413 HG3 LYS 54 1HG LYS 54 -7.087 7.159 7.412 414 HD2 LYS 54 2HD LYS 54 -9.777 5.842 7.553 415 HD3 LYS 54 1HD LYS 54 -8.321 4.943 7.976 416 HE2 LYS 54 2HE LYS 54 -8.850 5.757 10.033 417 HE3 LYS 54 1HE LYS 54 -7.872 7.103 9.459 418 HZ1 LYS 54 3HZ LYS 54 -9.904 7.898 10.441 419 HZ2 LYS 54 1HZ LYS 54 -10.834 6.938 9.411 420 HZ3 LYS 54 2HZ LYS 54 -9.934 8.218 8.783 421 H ILE 55 H ILE 55 -5.506 8.353 5.405 422 HA ILE 55 HA ILE 55 -5.644 6.957 2.819 423 HB ILE 55 HB ILE 55 -3.213 8.284 4.033 424 HG12 ILE 55 2HG1 ILE 55 -4.934 9.336 1.781 425 HG13 ILE 55 1HG1 ILE 55 -5.053 9.894 3.449 426 HG21 ILE 55 1HG2 ILE 55 -3.007 6.367 2.336 427 HG22 ILE 55 2HG2 ILE 55 -2.095 7.849 2.042 428 HG23 ILE 55 3HG2 ILE 55 -3.591 7.544 1.160 429 HD11 ILE 55 3HD1 ILE 55 -2.776 10.707 3.366 430 HD12 ILE 55 1HD1 ILE 55 -3.717 11.392 2.040 431 HD13 ILE 55 2HD1 ILE 55 -2.587 10.075 1.731 432 H SER 56 H SER 56 -6.297 5.104 4.091 433 HA SER 56 HA SER 56 -4.237 3.953 5.814 434 HB2 SER 56 2HB SER 56 -6.085 2.243 6.279 435 HB3 SER 56 1HB SER 56 -6.363 3.887 6.850 436 HG SER 56 HG SER 56 -7.265 3.124 4.297 437 H VAL 57 H VAL 57 -2.748 2.832 4.778 438 HA VAL 57 HA VAL 57 -3.523 1.178 2.478 439 HB VAL 57 HB VAL 57 -0.708 1.750 3.409 440 HG11 VAL 57 1HG1 VAL 57 -1.013 -0.155 1.908 441 HG12 VAL 57 2HG1 VAL 57 -0.092 1.142 1.150 442 HG13 VAL 57 3HG1 VAL 57 -1.786 0.904 0.730 443 HG21 VAL 57 3HG2 VAL 57 -2.288 3.298 1.360 444 HG22 VAL 57 1HG2 VAL 57 -0.586 3.529 1.754 445 HG23 VAL 57 2HG2 VAL 57 -1.828 3.879 2.957 446 H HIS 58 H HIS 58 -4.333 -0.660 3.379 447 HA HIS 58 HA HIS 58 -2.684 -2.030 5.394 448 HB2 HIS 58 2HB HIS 58 -5.609 -1.798 4.999 449 HB3 HIS 58 1HB HIS 58 -5.020 -3.371 5.526 450 HD1 HIS 58 HD1 HIS 58 -5.025 -3.610 7.976 451 HD2 HIS 58 HD2 HIS 58 -4.368 0.329 6.815 452 HE1 HIS 58 HE1 HIS 58 -4.811 -2.302 10.114 453 H VAL 59 H VAL 59 -1.327 -3.300 4.270 454 HA VAL 59 HA VAL 59 -2.511 -5.117 2.275 455 HB VAL 59 HB VAL 59 0.336 -5.166 2.105 456 HG11 VAL 59 1HG1 VAL 59 -0.104 -4.458 -0.203 457 HG12 VAL 59 2HG1 VAL 59 -1.759 -4.045 0.245 458 HG13 VAL 59 3HG1 VAL 59 -1.223 -5.723 0.313 459 HG21 VAL 59 3HG2 VAL 59 0.289 -2.928 3.141 460 HG22 VAL 59 1HG2 VAL 59 -0.807 -2.377 1.878 461 HG23 VAL 59 2HG2 VAL 59 0.837 -2.866 1.465 462 H LYS 60 H LYS 60 -2.722 -7.151 2.970 463 HA LYS 60 HA LYS 60 -0.996 -8.055 5.178 464 HB2 LYS 60 2HB LYS 60 -3.747 -8.160 4.861 465 HB3 LYS 60 1HB LYS 60 -3.226 -9.789 4.454 466 HG2 LYS 60 2HG LYS 60 -3.741 -9.741 6.777 467 HG3 LYS 60 1HG LYS 60 -1.987 -9.856 6.619 468 HD2 LYS 60 2HD LYS 60 -1.757 -7.489 7.057 469 HD3 LYS 60 1HD LYS 60 -3.510 -7.296 7.099 470 HE2 LYS 60 2HE LYS 60 -2.462 -7.393 9.347 471 HE3 LYS 60 1HE LYS 60 -3.671 -8.650 9.075 472 HZ1 LYS 60 3HZ LYS 60 -1.913 -10.224 8.651 473 HZ2 LYS 60 1HZ LYS 60 -1.662 -9.497 10.155 474 HZ3 LYS 60 2HZ LYS 60 -0.734 -9.022 8.822 475 H LEU 61 H LEU 61 -0.071 -7.962 2.473 476 HA LEU 61 HA LEU 61 -0.235 -10.527 1.260 477 HB2 LEU 61 2HB LEU 61 1.696 -8.254 0.864 478 HB3 LEU 61 1HB LEU 61 1.668 -9.699 -0.129 479 HG LEU 61 HG LEU 61 -0.672 -7.819 0.156 480 HD11 LEU 61 1HD1 LEU 61 1.158 -6.645 -0.903 481 HD12 LEU 61 2HD1 LEU 61 -0.081 -7.043 -2.092 482 HD13 LEU 61 3HD1 LEU 61 1.403 -7.992 -2.020 483 HD21 LEU 61 3HD2 LEU 61 -1.467 -8.985 -1.863 484 HD22 LEU 61 1HD2 LEU 61 -1.325 -10.055 -0.468 485 HD23 LEU 61 2HD2 LEU 61 -0.100 -10.089 -1.737 486 H GLY 62 H GLY 62 1.840 -9.115 3.658 487 HA2 GLY 62 2HA GLY 62 3.289 -10.179 5.107 488 HA3 GLY 62 1HA GLY 62 2.910 -11.692 4.303 489 H ASN 63 H ASN 63 4.020 -12.207 2.344 490 HA ASN 63 HA ASN 63 6.706 -11.016 2.303 491 HB2 ASN 63 2HB ASN 63 7.286 -13.222 1.082 492 HB3 ASN 63 1HB ASN 63 7.010 -13.274 2.820 493 HD21 ASN 63 1HD2 ASN 63 6.444 -15.431 2.836 494 HD22 ASN 63 2HD2 ASN 63 4.955 -16.011 2.172 495 H ARG 64 H ARG 64 4.992 -9.505 0.984 496 HA ARG 64 HA ARG 64 4.623 -10.200 -1.742 497 HB2 ARG 64 2HB ARG 64 4.021 -7.868 -2.102 498 HB3 ARG 64 1HB ARG 64 3.256 -8.483 -0.647 499 HG2 ARG 64 2HG ARG 64 5.139 -7.382 0.643 500 HG3 ARG 64 1HG ARG 64 5.565 -6.573 -0.864 501 HD2 ARG 64 2HD ARG 64 3.380 -5.564 -0.988 502 HD3 ARG 64 1HD ARG 64 2.846 -6.464 0.427 503 HE ARG 64 HE ARG 64 4.531 -5.152 1.708 504 HH11 ARG 64 1HH1 ARG 64 3.264 -3.914 -1.336 505 HH12 ARG 64 2HH1 ARG 64 3.530 -2.252 -0.898 506 HH21 ARG 64 1HH2 ARG 64 4.895 -2.980 2.269 507 HH22 ARG 64 2HH2 ARG 64 4.469 -1.718 1.152 508 H PHE 65 H PHE 65 7.250 -8.855 0.040 509 HA PHE 65 HA PHE 65 9.368 -8.243 -0.476 510 HB2 PHE 65 2HB PHE 65 9.091 -10.632 -1.523 511 HB3 PHE 65 1HB PHE 65 9.200 -9.765 -3.050 512 HD1 PHE 65 HD2 PHE 65 10.976 -10.146 0.201 513 HD2 PHE 65 HD1 PHE 65 11.281 -9.345 -3.968 514 HE1 PHE 65 HE2 PHE 65 13.428 -10.156 0.382 515 HE2 PHE 65 HE1 PHE 65 13.733 -9.358 -3.791 516 HZ PHE 65 HZ PHE 65 14.812 -9.765 -1.618 517 H LEU 66 H LEU 66 7.399 -6.387 -1.273 518 HA LEU 66 HA LEU 66 8.177 -5.453 -3.908 519 HB2 LEU 66 2HB LEU 66 5.824 -5.264 -3.177 520 HB3 LEU 66 1HB LEU 66 6.324 -4.200 -1.876 521 HG LEU 66 HG LEU 66 7.239 -2.648 -3.675 522 HD11 LEU 66 1HD1 LEU 66 5.553 -4.435 -5.419 523 HD12 LEU 66 2HD1 LEU 66 7.296 -4.204 -5.524 524 HD13 LEU 66 3HD1 LEU 66 6.209 -2.870 -5.896 525 HD21 LEU 66 3HD2 LEU 66 5.182 -2.201 -2.429 526 HD22 LEU 66 1HD2 LEU 66 4.266 -3.144 -3.607 527 HD23 LEU 66 2HD2 LEU 66 5.064 -1.652 -4.100 528 H TYR 67 H TYR 67 9.369 -3.619 -4.310 529 HA TYR 67 HA TYR 67 11.327 -2.927 -2.381 530 HB2 TYR 67 2HB TYR 67 10.619 -1.900 -5.115 531 HB3 TYR 67 1HB TYR 67 11.809 -1.057 -4.129 532 HD1 TYR 67 HD2 TYR 67 11.024 -4.435 -5.497 533 HD2 TYR 67 HD1 TYR 67 14.027 -1.732 -4.169 534 HE1 TYR 67 HE2 TYR 67 12.757 -6.005 -6.247 535 HE2 TYR 67 HE1 TYR 67 15.770 -3.293 -4.920 536 HH TYR 67 HH TYR 67 15.117 -5.950 -6.935 537 H LYS 68 H LYS 68 10.730 -1.853 -0.588 538 HA LYS 68 HA LYS 68 8.566 -0.077 -0.403 539 HB2 LYS 68 2HB LYS 68 9.405 0.522 1.780 540 HB3 LYS 68 1HB LYS 68 9.603 -1.208 1.546 541 HG2 LYS 68 2HG LYS 68 11.654 -0.759 2.422 542 HG3 LYS 68 1HG LYS 68 12.028 -0.391 0.735 543 HD2 LYS 68 2HD LYS 68 11.661 1.961 1.121 544 HD3 LYS 68 1HD LYS 68 11.122 1.647 2.774 545 HE2 LYS 68 2HE LYS 68 13.281 1.069 3.489 546 HE3 LYS 68 1HE LYS 68 13.855 0.806 1.844 547 HZ1 LYS 68 3HZ LYS 68 12.975 3.498 2.687 548 HZ2 LYS 68 1HZ LYS 68 14.059 3.053 1.455 549 HZ3 LYS 68 2HZ LYS 68 14.530 2.940 3.078 550 H GLU 69 H GLU 69 11.725 0.339 -1.612 551 HA GLU 69 HA GLU 69 12.108 3.098 -1.241 552 HB2 GLU 69 2HB GLU 69 13.576 1.080 -2.391 553 HB3 GLU 69 1HB GLU 69 13.106 2.031 -3.793 554 HG2 GLU 69 2HG GLU 69 15.106 2.993 -3.207 555 HG3 GLU 69 1HG GLU 69 13.949 4.043 -2.390 556 H GLN 70 H GLN 70 10.306 1.271 -3.624 557 HA GLN 70 HA GLN 70 9.854 3.398 -5.447 558 HB2 GLN 70 2HB GLN 70 8.826 0.658 -5.065 559 HB3 GLN 70 1HB GLN 70 7.698 1.778 -5.820 560 HG2 GLN 70 2HG GLN 70 10.472 1.095 -6.781 561 HG3 GLN 70 1HG GLN 70 8.940 0.644 -7.540 562 HE21 GLN 70 1HE2 GLN 70 7.707 2.262 -8.561 563 HE22 GLN 70 2HE2 GLN 70 8.429 3.750 -9.069 564 H GLU 71 H GLU 71 8.075 2.131 -2.701 565 HA GLU 71 HA GLU 71 5.867 3.905 -3.037 566 HB2 GLU 71 2HB GLU 71 6.686 2.379 -0.560 567 HB3 GLU 71 1HB GLU 71 5.097 3.052 -0.904 568 HG2 GLU 71 2HG GLU 71 6.455 0.770 -2.311 569 HG3 GLU 71 1HG GLU 71 5.021 0.698 -1.288 570 H GLU 72 H GLU 72 8.801 3.856 -1.116 571 HA GLU 72 HA GLU 72 8.313 6.045 0.544 572 HB2 GLU 72 2HB GLU 72 10.265 4.320 0.503 573 HB3 GLU 72 1HB GLU 72 11.042 5.479 -0.564 574 HG2 GLU 72 2HG GLU 72 11.753 6.594 1.200 575 HG3 GLU 72 1HG GLU 72 10.080 6.919 1.655 576 H GLN 73 H GLN 73 10.024 5.950 -2.578 577 HA GLN 73 HA GLN 73 10.631 8.651 -2.745 578 HB2 GLN 73 2HB GLN 73 10.933 8.292 -5.150 579 HB3 GLN 73 1HB GLN 73 11.661 7.008 -4.202 580 HG2 GLN 73 2HG GLN 73 10.672 5.729 -5.768 581 HG3 GLN 73 1HG GLN 73 9.297 5.877 -4.676 582 HE21 GLN 73 1HE2 GLN 73 7.747 5.629 -6.249 583 HE22 GLN 73 2HE2 GLN 73 7.440 6.823 -7.467 584 H LEU 74 H LEU 74 7.582 7.051 -3.533 585 HA LEU 74 HA LEU 74 6.587 9.489 -4.761 586 HB2 LEU 74 2HB LEU 74 4.592 8.274 -5.291 587 HB3 LEU 74 1HB LEU 74 5.977 7.286 -5.700 588 HG LEU 74 HG LEU 74 5.493 6.281 -3.272 589 HD11 LEU 74 1HD1 LEU 74 2.867 7.408 -4.212 590 HD12 LEU 74 2HD1 LEU 74 3.631 7.581 -2.632 591 HD13 LEU 74 3HD1 LEU 74 2.971 6.022 -3.129 592 HD21 LEU 74 3HD2 LEU 74 4.081 5.574 -5.836 593 HD22 LEU 74 1HD2 LEU 74 4.161 4.531 -4.418 594 HD23 LEU 74 2HD2 LEU 74 5.638 4.967 -5.278 595 H THR 75 H THR 75 6.356 7.770 -1.737 596 HA THR 75 HA THR 75 4.117 9.180 -0.723 597 HB THR 75 HB THR 75 6.314 7.742 0.784 598 HG1 THR 75 HG1 THR 75 5.213 6.309 -0.524 599 HG21 THR 75 3HG2 THR 75 4.640 7.589 2.610 600 HG22 THR 75 1HG2 THR 75 3.579 8.659 1.689 601 HG23 THR 75 2HG2 THR 75 5.134 9.247 2.274 602 H GLU 76 H GLU 76 7.540 9.847 -0.865 603 HA GLU 76 HA GLU 76 7.906 11.708 1.129 604 HB2 GLU 76 2HB GLU 76 9.045 11.598 -1.655 605 HB3 GLU 76 1HB GLU 76 9.568 12.788 -0.467 606 HG2 GLU 76 2HG GLU 76 10.285 10.994 1.018 607 HG3 GLU 76 1HG GLU 76 9.732 9.796 -0.152 608 H LEU 77 H LEU 77 6.311 12.140 -1.959 609 HA LEU 77 HA LEU 77 6.159 14.935 -2.004 610 HB2 LEU 77 2HB LEU 77 4.515 12.745 -3.227 611 HB3 LEU 77 1HB LEU 77 3.989 14.408 -3.366 612 HG LEU 77 HG LEU 77 6.230 14.920 -4.417 613 HD11 LEU 77 1HD1 LEU 77 7.477 13.003 -3.657 614 HD12 LEU 77 2HD1 LEU 77 7.423 13.021 -5.421 615 HD13 LEU 77 3HD1 LEU 77 6.388 11.915 -4.517 616 HD21 LEU 77 3HD2 LEU 77 4.448 12.953 -5.848 617 HD22 LEU 77 1HD2 LEU 77 5.561 14.095 -6.602 618 HD23 LEU 77 2HD2 LEU 77 4.162 14.690 -5.709 619 H ILE 78 H ILE 78 4.011 12.511 -0.603 620 HA ILE 78 HA ILE 78 2.218 14.556 0.412 621 HB ILE 78 HB ILE 78 2.094 11.572 0.873 622 HG12 ILE 78 2HG1 ILE 78 0.082 12.221 -0.898 623 HG13 ILE 78 1HG1 ILE 78 1.426 13.206 -1.463 624 HG21 ILE 78 1HG2 ILE 78 0.814 12.894 2.479 625 HG22 ILE 78 2HG2 ILE 78 -0.255 11.991 1.404 626 HG23 ILE 78 3HG2 ILE 78 -0.006 13.717 1.154 627 HD11 ILE 78 3HD1 ILE 78 1.363 11.078 -2.614 628 HD12 ILE 78 1HD1 ILE 78 1.452 10.224 -1.075 629 HD13 ILE 78 2HD1 ILE 78 2.815 11.202 -1.620 630 H ALA 79 H ALA 79 4.752 12.442 1.556 631 HA ALA 79 HA ALA 79 4.297 12.523 4.306 632 HB1 ALA 79 1HB ALA 79 5.924 11.043 3.184 633 HB2 ALA 79 2HB ALA 79 6.603 11.891 4.575 634 HB3 ALA 79 3HB ALA 79 6.979 12.436 2.939 635 H SER 80 H SER 80 5.822 14.857 2.192 636 HA SER 80 HA SER 80 6.945 16.469 4.239 637 HB2 SER 80 2HB SER 80 6.219 17.196 1.392 638 HB3 SER 80 1HB SER 80 7.290 18.115 2.451 639 HG SER 80 HG SER 80 7.700 15.551 1.309 640 H LYS 81 H LYS 81 3.786 15.903 3.461 641 HA LYS 81 HA LYS 81 2.844 18.160 5.001 642 HB2 LYS 81 2HB LYS 81 1.083 18.638 3.175 643 HB3 LYS 81 1HB LYS 81 2.702 19.283 2.935 644 HG2 LYS 81 2HG LYS 81 3.233 17.533 1.367 645 HG3 LYS 81 1HG LYS 81 1.713 16.705 1.707 646 HD2 LYS 81 2HD LYS 81 0.450 18.525 0.743 647 HD3 LYS 81 1HD LYS 81 1.916 19.482 0.533 648 HE2 LYS 81 2HE LYS 81 1.540 16.798 -0.764 649 HE3 LYS 81 1HE LYS 81 1.009 18.296 -1.524 650 HZ1 LYS 81 3HZ LYS 81 3.157 17.803 -2.353 651 HZ2 LYS 81 1HZ LYS 81 3.781 17.524 -0.805 652 HZ3 LYS 81 2HZ LYS 81 3.350 19.089 -1.273 653 H LYS 82 H LYS 82 2.913 15.582 5.738 654 HA LYS 82 HA LYS 82 0.507 14.193 4.993 655 HB2 LYS 82 2HB LYS 82 1.224 12.453 6.599 656 HB3 LYS 82 1HB LYS 82 2.444 12.838 5.404 657 HG2 LYS 82 2HG LYS 82 3.657 14.171 7.077 658 HG3 LYS 82 1HG LYS 82 2.420 13.773 8.270 659 HD2 LYS 82 2HD LYS 82 2.960 11.372 7.960 660 HD3 LYS 82 1HD LYS 82 4.248 11.836 6.846 661 HE2 LYS 82 2HE LYS 82 5.206 13.227 8.743 662 HE3 LYS 82 1HE LYS 82 4.059 12.406 9.804 663 HZ1 LYS 82 3HZ LYS 82 5.996 10.952 8.096 664 HZ2 LYS 82 1HZ LYS 82 5.080 10.340 9.380 665 HZ3 LYS 82 2HZ LYS 82 6.346 11.418 9.684 666 H ASP 83 H ASP 83 -0.614 16.288 5.739 667 HA ASP 83 HA ASP 83 -1.213 16.392 8.568 668 HB2 ASP 83 2HB ASP 83 -1.207 18.489 7.386 669 HB3 ASP 83 1HB ASP 83 -2.319 17.873 6.167 670 H LEU 84 H LEU 84 -2.338 14.791 5.792 671 HA LEU 84 HA LEU 84 -5.034 14.333 6.648 672 HB2 LEU 84 2HB LEU 84 -3.447 12.757 4.614 673 HB3 LEU 84 1HB LEU 84 -5.187 12.797 4.787 674 HG LEU 84 HG LEU 84 -4.916 14.153 2.957 675 HD11 LEU 84 1HD1 LEU 84 -5.153 16.497 3.606 676 HD12 LEU 84 2HD1 LEU 84 -4.596 16.105 5.233 677 HD13 LEU 84 3HD1 LEU 84 -6.115 15.439 4.638 678 HD21 LEU 84 3HD2 LEU 84 -3.058 15.616 2.521 679 HD22 LEU 84 1HD2 LEU 84 -2.443 14.033 3.000 680 HD23 LEU 84 2HD2 LEU 84 -2.429 15.370 4.150 681 H PHE 85 H PHE 85 -5.872 12.132 7.116 682 HA PHE 85 HA PHE 85 -4.240 10.906 9.150 683 HB2 PHE 85 2HB PHE 85 -6.945 10.031 8.119 684 HB3 PHE 85 1HB PHE 85 -6.186 9.533 9.623 685 HD1 PHE 85 HD1 PHE 85 -5.738 11.326 11.373 686 HD2 PHE 85 HD2 PHE 85 -8.306 11.923 8.032 687 HE1 PHE 85 HE1 PHE 85 -6.805 13.214 12.535 688 HE2 PHE 85 HE2 PHE 85 -9.376 13.811 9.188 689 HZ PHE 85 HZ PHE 85 -8.627 14.461 11.440 690 H VAL 86 H VAL 86 -2.515 10.223 7.754 691 HA VAL 86 HA VAL 86 -3.103 7.981 5.972 692 HB VAL 86 HB VAL 86 -1.626 9.744 5.106 693 HG11 VAL 86 1HG1 VAL 86 -0.521 10.640 6.954 694 HG12 VAL 86 2HG1 VAL 86 0.749 9.789 6.076 695 HG13 VAL 86 3HG1 VAL 86 0.028 9.061 7.511 696 HG21 VAL 86 3HG2 VAL 86 -0.057 7.208 5.560 697 HG22 VAL 86 1HG2 VAL 86 0.113 8.343 4.222 698 HG23 VAL 86 2HG2 VAL 86 -1.352 7.375 4.378 699 H HIS 87 H HIS 87 -2.304 5.940 6.242 700 HA HIS 87 HA HIS 87 -0.492 5.262 8.371 701 HB2 HIS 87 2HB HIS 87 -3.382 5.023 8.762 702 HB3 HIS 87 1HB HIS 87 -2.532 3.494 8.976 703 HD1 HIS 87 HD1 HIS 87 -0.096 4.137 10.505 704 HD2 HIS 87 HD2 HIS 87 -3.671 6.149 11.179 705 HE1 HIS 87 HE1 HIS 87 0.093 5.094 12.820 706 H SER 88 H SER 88 0.784 4.242 6.909 707 HA SER 88 HA SER 88 -0.408 2.109 5.280 708 HB2 SER 88 2HB SER 88 2.398 3.156 4.957 709 HB3 SER 88 1HB SER 88 1.352 2.400 3.753 710 HG SER 88 HG SER 88 1.350 4.583 3.346 711 H ILE 89 H ILE 89 -0.047 0.032 5.850 712 HA ILE 89 HA ILE 89 2.432 -0.697 7.146 713 HB ILE 89 HB ILE 89 1.161 -0.005 9.090 714 HG12 ILE 89 2HG1 ILE 89 1.256 -3.024 8.905 715 HG13 ILE 89 1HG1 ILE 89 2.627 -1.988 9.278 716 HG21 ILE 89 1HG2 ILE 89 -0.931 -2.015 8.279 717 HG22 ILE 89 2HG2 ILE 89 -1.085 -0.263 8.115 718 HG23 ILE 89 3HG2 ILE 89 -0.950 -0.991 9.716 719 HD11 ILE 89 3HD1 ILE 89 1.743 -2.979 11.288 720 HD12 ILE 89 1HD1 ILE 89 0.144 -2.324 10.938 721 HD13 ILE 89 2HD1 ILE 89 1.481 -1.235 11.309 722 H ASP 90 H ASP 90 3.053 -2.665 6.592 723 HA ASP 90 HA ASP 90 1.037 -4.602 5.710 724 HB2 ASP 90 2HB ASP 90 2.437 -5.340 3.877 725 HB3 ASP 90 1HB ASP 90 2.130 -3.620 3.712 726 H SER 91 H SER 91 1.484 -6.739 6.235 727 HA SER 91 HA SER 91 3.041 -7.066 8.592 728 HB2 SER 91 2HB SER 91 1.853 -9.279 6.924 729 HB3 SER 91 1HB SER 91 2.176 -9.280 8.661 730 HG SER 91 HG SER 91 0.634 -7.288 8.461 731 H GLU 92 H GLU 92 5.166 -6.521 7.881 732 HA GLU 92 HA GLU 92 6.466 -8.272 5.986 733 HB2 GLU 92 2HB GLU 92 8.475 -6.909 6.428 734 HB3 GLU 92 1HB GLU 92 7.092 -5.928 5.973 735 HG2 GLU 92 2HG GLU 92 7.314 -4.724 7.815 736 HG3 GLU 92 1HG GLU 92 7.139 -6.166 8.809 737 H VAL 93 H VAL 93 7.939 -9.829 6.433 738 HA VAL 93 HA VAL 93 8.071 -10.725 9.218 739 HB VAL 93 HB VAL 93 7.307 -12.307 7.410 740 HG11 VAL 93 1HG1 VAL 93 8.747 -13.155 5.788 741 HG12 VAL 93 2HG1 VAL 93 10.182 -12.529 6.595 742 HG13 VAL 93 3HG1 VAL 93 9.077 -11.424 5.779 743 HG21 VAL 93 3HG2 VAL 93 8.067 -13.210 9.505 744 HG22 VAL 93 1HG2 VAL 93 9.752 -13.075 9.001 745 HG23 VAL 93 2HG2 VAL 93 8.680 -14.219 8.196 746 H ILE 94 H ILE 94 9.835 -9.118 6.869 747 HA ILE 94 HA ILE 94 12.136 -8.826 8.506 748 HB ILE 94 HB ILE 94 12.654 -11.036 7.523 749 HG12 ILE 94 2HG1 ILE 94 14.886 -10.384 6.520 750 HG13 ILE 94 1HG1 ILE 94 14.361 -8.710 6.642 751 HG21 ILE 94 1HG2 ILE 94 13.211 -11.152 5.093 752 HG22 ILE 94 2HG2 ILE 94 12.445 -9.575 4.899 753 HG23 ILE 94 3HG2 ILE 94 11.495 -10.958 5.446 754 HD11 ILE 94 3HD1 ILE 94 14.579 -10.601 8.970 755 HD12 ILE 94 1HD1 ILE 94 14.222 -8.877 9.031 756 HD13 ILE 94 2HD1 ILE 94 15.811 -9.428 8.500 757 H THR 95 H THR 95 13.185 -6.952 7.968 758 HA THR 95 HA THR 95 11.922 -5.317 5.958 759 HB THR 95 HB THR 95 14.270 -4.555 7.692 760 HG1 THR 95 HG1 THR 95 11.468 -4.602 8.256 761 HG21 THR 95 3HG2 THR 95 13.373 -2.293 7.434 762 HG22 THR 95 1HG2 THR 95 12.069 -2.913 6.424 763 HG23 THR 95 2HG2 THR 95 13.739 -3.005 5.864 764 H LYS 96 H LYS 96 15.079 -6.837 6.433 765 HA LYS 96 HA LYS 96 15.667 -6.289 3.624 766 HB2 LYS 96 2HB LYS 96 17.191 -5.304 5.960 767 HB3 LYS 96 1HB LYS 96 18.153 -6.018 4.673 768 HG2 LYS 96 2HG LYS 96 17.501 -4.418 3.119 769 HG3 LYS 96 1HG LYS 96 16.092 -3.935 4.065 770 HD2 LYS 96 2HD LYS 96 17.717 -2.205 4.274 771 HD3 LYS 96 1HD LYS 96 17.670 -3.069 5.810 772 HE2 LYS 96 2HE LYS 96 19.954 -2.743 5.349 773 HE3 LYS 96 1HE LYS 96 19.627 -4.426 4.939 774 HZ1 LYS 96 3HZ LYS 96 19.607 -3.891 2.638 775 HZ2 LYS 96 1HZ LYS 96 21.001 -3.192 3.293 776 HZ3 LYS 96 2HZ LYS 96 19.657 -2.231 2.946 777 H LYS 97 H LYS 97 16.194 -8.119 2.642 778 HA LYS 97 HA LYS 97 17.877 -10.078 3.954 779 HB2 LYS 97 2HB LYS 97 15.510 -10.727 4.499 780 HB3 LYS 97 1HB LYS 97 15.211 -10.900 2.777 781 HG2 LYS 97 2HG LYS 97 16.780 -12.701 2.606 782 HG3 LYS 97 1HG LYS 97 17.336 -12.444 4.257 783 HD2 LYS 97 2HD LYS 97 14.488 -13.152 3.612 784 HD3 LYS 97 1HD LYS 97 15.731 -14.375 3.864 785 HE2 LYS 97 2HE LYS 97 14.782 -12.304 5.841 786 HE3 LYS 97 1HE LYS 97 14.538 -14.043 5.921 787 HZ1 LYS 97 3HZ LYS 97 16.959 -14.297 6.126 788 HZ2 LYS 97 1HZ LYS 97 16.291 -13.407 7.397 789 HZ3 LYS 97 2HZ LYS 97 17.130 -12.619 6.162 790 H GLU 98 H GLU 98 19.420 -10.499 2.519 791 HA GLU 98 HA GLU 98 18.977 -9.869 -0.274 792 HB2 GLU 98 2HB GLU 98 21.516 -10.944 0.940 793 HB3 GLU 98 1HB GLU 98 21.330 -10.014 -0.542 794 HG2 GLU 98 2HG GLU 98 20.391 -8.192 1.061 795 HG3 GLU 98 1HG GLU 98 21.264 -9.106 2.290 796 H ALA 99 H ALA 99 17.530 -11.515 -0.824 797 HA ALA 99 HA ALA 99 18.647 -14.225 -0.895 798 HB1 ALA 99 1HB ALA 99 16.474 -14.071 0.171 799 HB2 ALA 99 2HB ALA 99 16.342 -14.961 -1.347 800 HB3 ALA 99 3HB ALA 99 15.807 -13.284 -1.259 801 H GLN 100 H GLN 100 19.953 -14.152 -2.668 802 HA GLN 100 HA GLN 100 19.112 -12.964 -5.140 803 HB2 GLN 100 2HB GLN 100 21.503 -13.100 -4.460 804 HB3 GLN 100 1HB GLN 100 21.420 -14.851 -4.612 805 HG2 GLN 100 2HG GLN 100 20.531 -14.150 -7.048 806 HG3 GLN 100 1HG GLN 100 21.589 -12.780 -6.714 807 HE21 GLN 100 1HE2 GLN 100 21.910 -14.859 -8.704 808 HE22 GLN 100 2HE2 GLN 100 23.412 -15.645 -8.357 809 H GLN 101 H GLN 101 17.720 -13.877 -6.501 810 HA GLN 101 HA GLN 101 16.815 -16.542 -6.245 811 HB2 GLN 101 2HB GLN 101 15.317 -14.903 -7.153 812 HB3 GLN 101 1HB GLN 101 16.454 -14.491 -8.434 813 HG2 GLN 101 2HG GLN 101 14.844 -15.810 -9.503 814 HG3 GLN 101 1HG GLN 101 16.180 -16.920 -9.212 815 HE21 GLN 101 1HE2 GLN 101 13.514 -17.661 -9.695 816 HE22 GLN 101 2HE2 GLN 101 12.921 -18.470 -8.287 817 H ILE 102 H ILE 102 18.107 -18.223 -6.647 818 HA ILE 102 HA ILE 102 19.325 -18.407 -9.288 819 HB ILE 102 HB ILE 102 21.139 -17.534 -7.913 820 HG12 ILE 102 2HG1 ILE 102 22.743 -19.523 -8.128 821 HG13 ILE 102 1HG1 ILE 102 21.357 -20.434 -8.715 822 HG21 ILE 102 1HG2 ILE 102 22.036 -18.822 -6.013 823 HG22 ILE 102 2HG2 ILE 102 20.654 -19.915 -6.122 824 HG23 ILE 102 3HG2 ILE 102 20.408 -18.215 -5.719 825 HD11 ILE 102 3HD1 ILE 102 22.715 -19.562 -10.542 826 HD12 ILE 102 1HD1 ILE 102 22.452 -17.920 -9.959 827 HD13 ILE 102 2HD1 ILE 102 21.092 -18.870 -10.559 828 H ARG 103 H ARG 103 19.209 -20.427 -10.108 829 HA ARG 103 HA ARG 103 18.343 -22.588 -8.299 830 HB2 ARG 103 2HB ARG 103 17.425 -22.002 -11.124 831 HB3 ARG 103 1HB ARG 103 17.073 -23.498 -10.269 832 HG2 ARG 103 2HG ARG 103 16.228 -20.769 -9.290 833 HG3 ARG 103 1HG ARG 103 15.203 -21.835 -10.257 834 HD2 ARG 103 2HD ARG 103 14.497 -22.481 -8.200 835 HD3 ARG 103 1HD ARG 103 15.892 -23.551 -8.330 836 HE ARG 103 HE ARG 103 16.980 -21.396 -7.173 837 HH11 ARG 103 1HH1 ARG 103 14.079 -23.218 -6.428 838 HH12 ARG 103 2HH1 ARG 103 14.095 -22.794 -4.745 839 HH21 ARG 103 1HH2 ARG 103 17.016 -20.855 -4.965 840 HH22 ARG 103 2HH2 ARG 103 15.791 -21.475 -3.905 841 H GLU 104 H GLU 104 19.277 -24.556 -8.586 842 HA GLU 104 HA GLU 104 21.484 -24.688 -10.532 843 HB2 GLU 104 2HB GLU 104 22.598 -26.214 -9.036 844 HB3 GLU 104 1HB GLU 104 22.109 -24.802 -8.114 845 HG2 GLU 104 2HG GLU 104 20.010 -26.260 -7.556 846 HG3 GLU 104 1HG GLU 104 21.071 -27.591 -8.010 847 H GLU 105 H GLU 105 18.511 -25.384 -10.578 848 HA GLU 105 HA GLU 105 18.641 -28.228 -11.237 849 HB2 GLU 105 2HB GLU 105 16.240 -26.398 -11.052 850 HB3 GLU 105 1HB GLU 105 16.210 -28.152 -11.183 851 HG2 GLU 105 2HG GLU 105 16.938 -28.453 -8.999 852 HG3 GLU 105 1HG GLU 105 17.601 -26.823 -8.894 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -24.831 -19.602 -11.338 2 HA2 GLY 1 1HA GLY 1 -26.081 -17.568 -11.351 3 HA3 GLY 1 2HA GLY 1 -26.801 -18.716 -10.233 4 H SER 2 H SER 2 -27.593 -16.284 -9.746 5 HA SER 2 HA SER 2 -25.869 -14.690 -8.156 6 HB2 SER 2 2HB SER 2 -28.801 -14.486 -7.745 7 HB3 SER 2 1HB SER 2 -27.619 -13.222 -8.088 8 HG SER 2 HG SER 2 -28.123 -13.371 -10.118 9 H HIS 3 H HIS 3 -25.214 -15.054 -6.149 10 HA HIS 3 HA HIS 3 -26.980 -16.106 -4.143 11 HB2 HIS 3 2HB HIS 3 -25.606 -18.019 -3.516 12 HB3 HIS 3 1HB HIS 3 -26.140 -18.190 -5.183 13 HD1 HIS 3 HD1 HIS 3 -24.262 -17.646 -7.045 14 HD2 HIS 3 HD2 HIS 3 -22.897 -18.180 -3.151 15 HE1 HIS 3 HE1 HIS 3 -21.793 -18.066 -7.242 16 H MET 4 H MET 4 -25.832 -16.151 -1.979 17 HA MET 4 HA MET 4 -24.336 -13.719 -1.711 18 HB2 MET 4 2HB MET 4 -24.495 -14.067 0.658 19 HB3 MET 4 1HB MET 4 -26.047 -14.483 -0.056 20 HG2 MET 4 2HG MET 4 -23.963 -16.557 0.552 21 HG3 MET 4 1HG MET 4 -25.126 -16.015 1.761 22 HE1 MET 4 3HE MET 4 -27.807 -15.612 0.419 23 HE2 MET 4 1HE MET 4 -27.622 -16.661 1.825 24 HE3 MET 4 2HE MET 4 -28.520 -17.222 0.415 25 H LYS 5 H LYS 5 -22.264 -13.477 -0.864 26 HA LYS 5 HA LYS 5 -20.459 -15.664 -1.555 27 HB2 LYS 5 2HB LYS 5 -19.905 -12.773 -0.867 28 HB3 LYS 5 1HB LYS 5 -18.686 -13.948 -1.335 29 HG2 LYS 5 2HG LYS 5 -20.975 -13.029 -3.056 30 HG3 LYS 5 1HG LYS 5 -19.304 -12.476 -3.181 31 HD2 LYS 5 2HD LYS 5 -18.760 -15.003 -3.443 32 HD3 LYS 5 1HD LYS 5 -20.470 -15.153 -3.851 33 HE2 LYS 5 2HE LYS 5 -19.336 -14.879 -5.900 34 HE3 LYS 5 1HE LYS 5 -20.092 -13.325 -5.550 35 HZ1 LYS 5 3HZ LYS 5 -17.949 -12.554 -4.682 36 HZ2 LYS 5 1HZ LYS 5 -17.851 -13.000 -6.312 37 HZ3 LYS 5 2HZ LYS 5 -17.241 -14.028 -5.111 38 H THR 6 H THR 6 -19.595 -16.919 -0.042 39 HA THR 6 HA THR 6 -19.980 -16.301 2.754 40 HB THR 6 HB THR 6 -18.378 -18.607 2.512 41 HG1 THR 6 HG1 THR 6 -20.444 -19.328 0.917 42 HG21 THR 6 3HG2 THR 6 -21.374 -18.330 2.812 43 HG22 THR 6 1HG2 THR 6 -20.193 -18.261 4.119 44 HG23 THR 6 2HG2 THR 6 -20.427 -19.760 3.222 45 H LYS 7 H LYS 7 -17.786 -17.339 4.000 46 HA LYS 7 HA LYS 7 -15.961 -15.195 3.910 47 HB2 LYS 7 2HB LYS 7 -14.688 -16.419 5.565 48 HB3 LYS 7 1HB LYS 7 -16.400 -16.545 5.934 49 HG2 LYS 7 2HG LYS 7 -16.502 -18.780 5.308 50 HG3 LYS 7 1HG LYS 7 -15.010 -18.683 4.372 51 HD2 LYS 7 2HD LYS 7 -13.808 -18.253 6.539 52 HD3 LYS 7 1HD LYS 7 -15.314 -18.648 7.367 53 HE2 LYS 7 2HE LYS 7 -15.295 -20.869 6.462 54 HE3 LYS 7 1HE LYS 7 -13.915 -20.485 5.433 55 HZ1 LYS 7 3HZ LYS 7 -13.836 -20.416 8.394 56 HZ2 LYS 7 1HZ LYS 7 -12.528 -20.271 7.338 57 HZ3 LYS 7 2HZ LYS 7 -13.347 -21.745 7.473 58 H LYS 8 H LYS 8 -13.697 -15.245 3.451 59 HA LYS 8 HA LYS 8 -12.693 -17.353 1.743 60 HB2 LYS 8 2HB LYS 8 -12.178 -15.932 -0.139 61 HB3 LYS 8 1HB LYS 8 -13.900 -15.848 0.179 62 HG2 LYS 8 2HG LYS 8 -12.040 -13.777 1.279 63 HG3 LYS 8 1HG LYS 8 -12.608 -13.694 -0.389 64 HD2 LYS 8 2HD LYS 8 -14.960 -14.044 0.765 65 HD3 LYS 8 1HD LYS 8 -14.116 -13.367 2.157 66 HE2 LYS 8 2HE LYS 8 -13.415 -11.462 0.693 67 HE3 LYS 8 1HE LYS 8 -14.469 -12.113 -0.559 68 HZ1 LYS 8 3HZ LYS 8 -15.285 -11.122 2.115 69 HZ2 LYS 8 1HZ LYS 8 -16.331 -11.902 1.036 70 HZ3 LYS 8 2HZ LYS 8 -15.634 -10.423 0.618 71 H GLN 9 H GLN 9 -10.348 -16.969 1.207 72 HA GLN 9 HA GLN 9 -9.072 -15.680 3.519 73 HB2 GLN 9 2HB GLN 9 -7.322 -17.250 1.773 74 HB3 GLN 9 1HB GLN 9 -7.520 -17.318 3.514 75 HG2 GLN 9 2HG GLN 9 -9.419 -18.587 1.560 76 HG3 GLN 9 1HG GLN 9 -8.064 -19.427 2.307 77 HE21 GLN 9 1HE2 GLN 9 -10.849 -20.086 2.501 78 HE22 GLN 9 2HE2 GLN 9 -11.265 -20.000 4.178 79 H GLN 10 H GLN 10 -8.444 -16.139 0.046 80 HA GLN 10 HA GLN 10 -6.777 -13.760 0.009 81 HB2 GLN 10 2HB GLN 10 -7.464 -15.828 -2.081 82 HB3 GLN 10 1HB GLN 10 -6.517 -14.392 -2.443 83 HG2 GLN 10 2HG GLN 10 -4.749 -15.092 -1.045 84 HG3 GLN 10 1HG GLN 10 -5.732 -16.357 -0.313 85 HE21 GLN 10 1HE2 GLN 10 -3.915 -15.394 -3.118 86 HE22 GLN 10 2HE2 GLN 10 -3.848 -16.963 -3.853 87 H TYR 11 H TYR 11 -7.649 -11.836 -0.297 88 HA TYR 11 HA TYR 11 -9.559 -11.384 -2.385 89 HB2 TYR 11 2HB TYR 11 -11.321 -10.411 -0.986 90 HB3 TYR 11 1HB TYR 11 -11.082 -12.107 -0.597 91 HD1 TYR 11 HD2 TYR 11 -10.079 -12.765 1.538 92 HD2 TYR 11 HD1 TYR 11 -10.828 -8.680 0.623 93 HE1 TYR 11 HE2 TYR 11 -9.818 -12.194 3.915 94 HE2 TYR 11 HE1 TYR 11 -10.566 -8.096 2.994 95 HH TYR 11 HH TYR 11 -9.406 -10.401 5.341 96 H VAL 12 H VAL 12 -10.229 -9.003 -2.359 97 HA VAL 12 HA VAL 12 -8.285 -7.244 -1.113 98 HB VAL 12 HB VAL 12 -7.216 -7.973 -3.232 99 HG11 VAL 12 1HG1 VAL 12 -9.170 -8.385 -4.583 100 HG12 VAL 12 2HG1 VAL 12 -8.132 -7.201 -5.377 101 HG13 VAL 12 3HG1 VAL 12 -9.594 -6.675 -4.543 102 HG21 VAL 12 3HG2 VAL 12 -8.045 -5.076 -3.178 103 HG22 VAL 12 1HG2 VAL 12 -6.686 -5.741 -4.087 104 HG23 VAL 12 2HG2 VAL 12 -6.677 -5.790 -2.325 105 H THR 13 H THR 13 -8.933 -5.053 -1.123 106 HA THR 13 HA THR 13 -11.435 -4.329 -2.380 107 HB THR 13 HB THR 13 -12.131 -5.295 -0.196 108 HG1 THR 13 HG1 THR 13 -13.234 -3.214 0.473 109 HG21 THR 13 3HG2 THR 13 -10.170 -4.711 1.144 110 HG22 THR 13 1HG2 THR 13 -11.639 -4.070 1.877 111 HG23 THR 13 2HG2 THR 13 -10.557 -2.996 0.986 112 H ILE 14 H ILE 14 -11.572 -2.167 -2.809 113 HA ILE 14 HA ILE 14 -9.449 -0.430 -1.754 114 HB ILE 14 HB ILE 14 -10.330 -0.439 -4.648 115 HG12 ILE 14 2HG1 ILE 14 -7.657 -1.353 -3.580 116 HG13 ILE 14 1HG1 ILE 14 -8.977 -2.468 -3.915 117 HG21 ILE 14 1HG2 ILE 14 -8.460 1.094 -4.983 118 HG22 ILE 14 2HG2 ILE 14 -8.085 1.022 -3.262 119 HG23 ILE 14 3HG2 ILE 14 -9.601 1.739 -3.804 120 HD11 ILE 14 3HD1 ILE 14 -7.582 -0.690 -5.898 121 HD12 ILE 14 1HD1 ILE 14 -8.970 -1.717 -6.260 122 HD13 ILE 14 2HD1 ILE 14 -7.443 -2.440 -5.760 123 H LYS 15 H LYS 15 -10.513 1.073 -0.615 124 HA LYS 15 HA LYS 15 -13.053 2.093 -1.693 125 HB2 LYS 15 2HB LYS 15 -12.830 1.065 0.692 126 HB3 LYS 15 1HB LYS 15 -12.072 2.596 1.106 127 HG2 LYS 15 2HG LYS 15 -14.765 2.515 -0.207 128 HG3 LYS 15 1HG LYS 15 -14.589 2.308 1.534 129 HD2 LYS 15 2HD LYS 15 -13.451 4.654 0.028 130 HD3 LYS 15 1HD LYS 15 -15.062 4.660 0.741 131 HE2 LYS 15 2HE LYS 15 -12.517 4.147 2.278 132 HE3 LYS 15 1HE LYS 15 -13.310 5.715 2.163 133 HZ1 LYS 15 3HZ LYS 15 -14.374 3.254 3.431 134 HZ2 LYS 15 1HZ LYS 15 -15.317 4.625 3.127 135 HZ3 LYS 15 2HZ LYS 15 -13.996 4.721 4.177 136 H GLY 16 H GLY 16 -12.310 3.624 -3.108 137 HA2 GLY 16 2HA GLY 16 -11.014 5.956 -1.866 138 HA3 GLY 16 1HA GLY 16 -10.401 5.312 -3.381 139 H THR 17 H THR 17 -13.412 6.456 -1.904 140 HA THR 17 HA THR 17 -13.959 7.999 -4.314 141 HB THR 17 HB THR 17 -15.178 6.051 -4.865 142 HG1 THR 17 HG1 THR 17 -16.571 7.641 -5.296 143 HG21 THR 17 3HG2 THR 17 -15.109 4.928 -2.700 144 HG22 THR 17 1HG2 THR 17 -16.746 4.938 -3.349 145 HG23 THR 17 2HG2 THR 17 -16.303 6.057 -2.063 146 H LYS 18 H LYS 18 -14.478 9.982 -3.752 147 HA LYS 18 HA LYS 18 -15.097 11.812 -2.566 148 HB2 LYS 18 2HB LYS 18 -17.298 10.409 -2.822 149 HB3 LYS 18 1HB LYS 18 -17.134 10.183 -1.087 150 HG2 LYS 18 2HG LYS 18 -18.581 12.026 -1.424 151 HG3 LYS 18 1HG LYS 18 -17.041 12.676 -0.863 152 HD2 LYS 18 2HD LYS 18 -17.965 14.013 -2.694 153 HD3 LYS 18 1HD LYS 18 -16.442 13.257 -3.157 154 HE2 LYS 18 2HE LYS 18 -17.472 11.742 -4.575 155 HE3 LYS 18 1HE LYS 18 -19.035 11.904 -3.774 156 HZ1 LYS 18 3HZ LYS 18 -17.746 13.996 -5.445 157 HZ2 LYS 18 1HZ LYS 18 -19.266 14.096 -4.714 158 HZ3 LYS 18 2HZ LYS 18 -18.999 12.975 -5.950 159 H ASN 19 H ASN 19 -13.054 10.063 -1.430 160 HA ASN 19 HA ASN 19 -12.872 11.280 1.153 161 HB2 ASN 19 2HB ASN 19 -14.270 9.092 1.408 162 HB3 ASN 19 1HB ASN 19 -12.728 8.274 1.174 163 HD21 ASN 19 1HD2 ASN 19 -14.500 10.500 3.225 164 HD22 ASN 19 2HD2 ASN 19 -13.521 10.275 4.632 165 H GLY 20 H GLY 20 -10.896 9.136 1.942 166 HA2 GLY 20 2HA GLY 20 -8.705 10.192 0.340 167 HA3 GLY 20 1HA GLY 20 -8.559 9.286 1.839 168 H LEU 21 H LEU 21 -7.837 7.302 1.668 169 HA LEU 21 HA LEU 21 -8.570 5.627 -0.565 170 HB2 LEU 21 2HB LEU 21 -6.684 6.755 -1.543 171 HB3 LEU 21 1HB LEU 21 -5.723 6.505 -0.101 172 HG LEU 21 HG LEU 21 -5.816 4.051 -0.543 173 HD11 LEU 21 1HD1 LEU 21 -7.789 3.957 -1.934 174 HD12 LEU 21 2HD1 LEU 21 -6.402 3.320 -2.817 175 HD13 LEU 21 3HD1 LEU 21 -7.001 4.943 -3.164 176 HD21 LEU 21 3HD2 LEU 21 -3.884 5.447 -1.145 177 HD22 LEU 21 1HD2 LEU 21 -4.594 5.712 -2.738 178 HD23 LEU 21 2HD2 LEU 21 -4.105 4.089 -2.248 179 H THR 22 H THR 22 -9.445 4.182 0.832 180 HA THR 22 HA THR 22 -7.629 2.965 2.818 181 HB THR 22 HB THR 22 -10.606 2.568 2.883 182 HG1 THR 22 HG1 THR 22 -9.289 4.948 3.254 183 HG21 THR 22 3HG2 THR 22 -9.177 1.247 4.371 184 HG22 THR 22 1HG2 THR 22 -10.196 2.360 5.285 185 HG23 THR 22 2HG2 THR 22 -8.493 2.735 5.031 186 H LEU 23 H LEU 23 -6.699 1.365 1.695 187 HA LEU 23 HA LEU 23 -8.491 -0.636 0.532 188 HB2 LEU 23 2HB LEU 23 -7.157 -0.941 -1.383 189 HB3 LEU 23 1HB LEU 23 -7.398 0.786 -1.236 190 HG LEU 23 HG LEU 23 -4.873 -0.718 -0.525 191 HD11 LEU 23 1HD1 LEU 23 -3.923 0.399 -2.450 192 HD12 LEU 23 2HD1 LEU 23 -5.454 1.218 -2.760 193 HD13 LEU 23 3HD1 LEU 23 -5.340 -0.532 -2.938 194 HD21 LEU 23 3HD2 LEU 23 -5.055 1.172 0.935 195 HD22 LEU 23 1HD2 LEU 23 -5.543 2.215 -0.399 196 HD23 LEU 23 2HD2 LEU 23 -3.902 1.576 -0.337 197 H HIS 24 H HIS 24 -7.660 -2.771 0.490 198 HA HIS 24 HA HIS 24 -5.254 -3.356 1.977 199 HB2 HIS 24 2HB HIS 24 -6.349 -3.338 3.959 200 HB3 HIS 24 1HB HIS 24 -7.928 -3.426 3.203 201 HD1 HIS 24 HD1 HIS 24 -9.149 -5.377 4.007 202 HD2 HIS 24 HD2 HIS 24 -5.080 -6.166 3.717 203 HE1 HIS 24 HE1 HIS 24 -8.872 -7.769 4.725 204 H LEU 25 H LEU 25 -4.351 -5.104 1.201 205 HA LEU 25 HA LEU 25 -5.985 -6.965 -0.389 206 HB2 LEU 25 2HB LEU 25 -4.476 -5.881 -1.869 207 HB3 LEU 25 1HB LEU 25 -3.149 -6.012 -0.730 208 HG LEU 25 HG LEU 25 -3.280 -8.531 -1.072 209 HD11 LEU 25 1HD1 LEU 25 -4.991 -7.655 -3.398 210 HD12 LEU 25 2HD1 LEU 25 -5.494 -8.666 -2.041 211 HD13 LEU 25 3HD1 LEU 25 -4.300 -9.264 -3.190 212 HD21 LEU 25 3HD2 LEU 25 -1.524 -7.146 -2.040 213 HD22 LEU 25 1HD2 LEU 25 -2.559 -6.781 -3.422 214 HD23 LEU 25 2HD2 LEU 25 -1.997 -8.432 -3.150 215 H ASP 26 H ASP 26 -5.795 -9.123 -0.002 216 HA ASP 26 HA ASP 26 -3.940 -9.938 2.141 217 HB2 ASP 26 2HB ASP 26 -6.786 -10.026 2.160 218 HB3 ASP 26 1HB ASP 26 -6.210 -11.687 2.038 219 H ASP 27 H ASP 27 -2.459 -10.516 0.538 220 HA ASP 27 HA ASP 27 -2.746 -13.211 -0.383 221 HB2 ASP 27 2HB ASP 27 -3.857 -11.590 -2.145 222 HB3 ASP 27 1HB ASP 27 -2.188 -11.282 -2.606 223 H ALA 28 H ALA 28 -0.821 -14.115 -0.227 224 HA ALA 28 HA ALA 28 1.553 -12.389 -0.135 225 HB1 ALA 28 1HB ALA 28 1.166 -15.202 0.896 226 HB2 ALA 28 2HB ALA 28 2.635 -14.241 1.055 227 HB3 ALA 28 3HB ALA 28 1.155 -13.730 1.869 228 H CYS 29 H CYS 29 3.433 -12.986 -1.264 229 HA CYS 29 HA CYS 29 4.738 -13.828 -2.911 230 HB2 CYS 29 2HB CYS 29 2.671 -16.015 -3.163 231 HB3 CYS 29 1HB CYS 29 4.272 -16.026 -3.891 232 HG CYS 29 HG CYS 29 3.761 -17.640 -1.427 233 H SER 30 H SER 30 1.718 -12.590 -3.403 234 HA SER 30 HA SER 30 2.001 -12.697 -6.327 235 HB2 SER 30 2HB SER 30 -0.468 -11.847 -4.815 236 HB3 SER 30 1HB SER 30 -0.339 -12.316 -6.510 237 HG SER 30 HG SER 30 -0.789 -13.862 -4.359 238 H PHE 31 H PHE 31 1.786 -10.755 -7.535 239 HA PHE 31 HA PHE 31 2.732 -8.420 -6.084 240 HB2 PHE 31 2HB PHE 31 3.578 -9.355 -8.400 241 HB3 PHE 31 1HB PHE 31 2.231 -8.419 -9.038 242 HD1 PHE 31 HD2 PHE 31 5.488 -8.283 -7.396 243 HD2 PHE 31 HD1 PHE 31 2.256 -5.994 -8.961 244 HE1 PHE 31 HE2 PHE 31 6.890 -6.259 -7.328 245 HE2 PHE 31 HE1 PHE 31 3.650 -3.972 -8.896 246 HZ PHE 31 HZ PHE 31 5.970 -4.101 -8.080 247 H ASP 32 H ASP 32 1.626 -6.580 -5.765 248 HA ASP 32 HA ASP 32 -1.239 -6.631 -6.250 249 HB2 ASP 32 2HB ASP 32 -1.229 -4.625 -4.762 250 HB3 ASP 32 1HB ASP 32 -0.515 -6.051 -4.022 251 H GLU 33 H GLU 33 -0.123 -6.409 -8.636 252 HA GLU 33 HA GLU 33 0.570 -3.849 -9.556 253 HB2 GLU 33 2HB GLU 33 0.056 -4.734 -11.808 254 HB3 GLU 33 1HB GLU 33 1.065 -5.821 -10.863 255 HG2 GLU 33 2HG GLU 33 -0.697 -7.325 -10.507 256 HG3 GLU 33 1HG GLU 33 -1.910 -6.148 -11.006 257 H LEU 34 H LEU 34 -2.508 -5.242 -8.832 258 HA LEU 34 HA LEU 34 -3.942 -3.168 -10.297 259 HB2 LEU 34 2HB LEU 34 -4.904 -5.530 -8.686 260 HB3 LEU 34 1HB LEU 34 -5.973 -4.364 -9.439 261 HG LEU 34 HG LEU 34 -4.102 -6.268 -10.843 262 HD11 LEU 34 1HD1 LEU 34 -6.200 -7.138 -11.795 263 HD12 LEU 34 2HD1 LEU 34 -7.104 -6.040 -10.753 264 HD13 LEU 34 3HD1 LEU 34 -6.120 -7.320 -10.043 265 HD21 LEU 34 3HD2 LEU 34 -5.775 -4.009 -11.918 266 HD22 LEU 34 1HD2 LEU 34 -5.202 -5.341 -12.917 267 HD23 LEU 34 2HD2 LEU 34 -4.046 -4.274 -12.126 268 H LEU 35 H LEU 35 -2.413 -3.388 -7.433 269 HA LEU 35 HA LEU 35 -4.407 -1.825 -5.950 270 HB2 LEU 35 2HB LEU 35 -3.063 -3.933 -5.069 271 HB3 LEU 35 1HB LEU 35 -1.832 -2.727 -4.748 272 HG LEU 35 HG LEU 35 -3.595 -1.471 -3.421 273 HD11 LEU 35 1HD1 LEU 35 -5.461 -2.836 -2.576 274 HD12 LEU 35 2HD1 LEU 35 -5.018 -4.108 -3.715 275 HD13 LEU 35 3HD1 LEU 35 -5.566 -2.543 -4.312 276 HD21 LEU 35 3HD2 LEU 35 -1.815 -2.687 -2.333 277 HD22 LEU 35 1HD2 LEU 35 -2.703 -4.201 -2.507 278 HD23 LEU 35 2HD2 LEU 35 -3.322 -2.932 -1.450 279 H ASP 36 H ASP 36 -0.950 -1.843 -6.796 280 HA ASP 36 HA ASP 36 -0.320 0.700 -5.828 281 HB2 ASP 36 2HB ASP 36 1.740 0.393 -6.787 282 HB3 ASP 36 1HB ASP 36 1.162 -1.265 -6.850 283 H GLY 37 H GLY 37 -1.676 -0.311 -8.913 284 HA2 GLY 37 2HA GLY 37 -1.459 2.117 -10.298 285 HA3 GLY 37 1HA GLY 37 -2.666 0.878 -10.609 286 H LEU 38 H LEU 38 -4.133 0.868 -8.326 287 HA LEU 38 HA LEU 38 -5.774 3.158 -8.665 288 HB2 LEU 38 2HB LEU 38 -5.794 0.749 -6.925 289 HB3 LEU 38 1HB LEU 38 -6.707 2.134 -6.361 290 HG LEU 38 HG LEU 38 -8.149 0.584 -7.559 291 HD11 LEU 38 1HD1 LEU 38 -9.184 2.122 -9.090 292 HD12 LEU 38 2HD1 LEU 38 -7.706 3.074 -9.195 293 HD13 LEU 38 3HD1 LEU 38 -8.602 3.008 -7.679 294 HD21 LEU 38 3HD2 LEU 38 -7.848 0.197 -9.965 295 HD22 LEU 38 1HD2 LEU 38 -6.510 -0.448 -9.014 296 HD23 LEU 38 2HD2 LEU 38 -6.314 1.064 -9.903 297 H GLN 39 H GLN 39 -3.468 2.136 -6.227 298 HA GLN 39 HA GLN 39 -3.885 4.086 -4.296 299 HB2 GLN 39 2HB GLN 39 -2.520 2.247 -3.732 300 HB3 GLN 39 1HB GLN 39 -1.466 2.496 -5.113 301 HG2 GLN 39 2HG GLN 39 -1.407 4.805 -3.417 302 HG3 GLN 39 1HG GLN 39 -1.086 3.352 -2.475 303 HE21 GLN 39 1HE2 GLN 39 0.728 2.089 -2.972 304 HE22 GLN 39 2HE2 GLN 39 2.046 2.702 -3.916 305 H ASN 40 H ASN 40 -1.583 4.127 -7.001 306 HA ASN 40 HA ASN 40 -0.650 6.759 -6.413 307 HB2 ASN 40 2HB ASN 40 0.386 4.735 -7.833 308 HB3 ASN 40 1HB ASN 40 -0.333 5.652 -9.151 309 HD21 ASN 40 1HD2 ASN 40 1.991 5.699 -6.562 310 HD22 ASN 40 2HD2 ASN 40 2.920 7.031 -7.159 311 H MET 41 H MET 41 -2.984 5.418 -8.690 312 HA MET 41 HA MET 41 -3.434 7.700 -10.233 313 HB2 MET 41 2HB MET 41 -4.359 5.135 -10.243 314 HB3 MET 41 1HB MET 41 -5.794 6.012 -9.731 315 HG2 MET 41 2HG MET 41 -4.192 6.679 -12.189 316 HG3 MET 41 1HG MET 41 -5.618 5.641 -12.182 317 HE1 MET 41 3HE MET 41 -8.042 6.456 -11.640 318 HE2 MET 41 1HE MET 41 -8.456 8.101 -11.160 319 HE3 MET 41 2HE MET 41 -7.515 7.078 -10.078 320 H LEU 42 H LEU 42 -5.254 6.549 -7.386 321 HA LEU 42 HA LEU 42 -7.067 8.725 -7.386 322 HB2 LEU 42 2HB LEU 42 -6.302 6.754 -5.245 323 HB3 LEU 42 1HB LEU 42 -7.559 7.960 -5.036 324 HG LEU 42 HG LEU 42 -7.591 5.856 -7.200 325 HD11 LEU 42 1HD1 LEU 42 -7.758 4.673 -5.166 326 HD12 LEU 42 2HD1 LEU 42 -9.407 4.854 -5.767 327 HD13 LEU 42 3HD1 LEU 42 -8.823 5.887 -4.460 328 HD21 LEU 42 3HD2 LEU 42 -9.675 7.795 -6.198 329 HD22 LEU 42 1HD2 LEU 42 -9.982 6.489 -7.343 330 HD23 LEU 42 2HD2 LEU 42 -8.890 7.805 -7.776 331 H SER 43 H SER 43 -3.985 8.208 -5.738 332 HA SER 43 HA SER 43 -4.184 10.457 -4.025 333 HB2 SER 43 2HB SER 43 -1.718 9.025 -5.023 334 HB3 SER 43 1HB SER 43 -1.790 10.121 -3.645 335 HG SER 43 HG SER 43 -2.731 7.508 -3.913 336 H ILE 44 H ILE 44 -3.647 10.246 -7.370 337 HA ILE 44 HA ILE 44 -2.360 12.883 -7.412 338 HB ILE 44 HB ILE 44 -2.550 10.758 -9.549 339 HG12 ILE 44 2HG1 ILE 44 -0.216 11.950 -8.034 340 HG13 ILE 44 1HG1 ILE 44 -0.873 10.332 -7.823 341 HG21 ILE 44 1HG2 ILE 44 -1.204 12.250 -10.961 342 HG22 ILE 44 2HG2 ILE 44 -1.348 13.520 -9.748 343 HG23 ILE 44 3HG2 ILE 44 -2.782 12.943 -10.595 344 HD11 ILE 44 3HD1 ILE 44 1.169 10.268 -9.109 345 HD12 ILE 44 1HD1 ILE 44 0.485 11.389 -10.291 346 HD13 ILE 44 2HD1 ILE 44 -0.200 9.774 -10.107 347 H GLU 45 H GLU 45 -5.187 11.096 -8.507 348 HA GLU 45 HA GLU 45 -6.215 13.215 -10.126 349 HB2 GLU 45 2HB GLU 45 -6.782 10.813 -10.465 350 HB3 GLU 45 1HB GLU 45 -7.702 10.854 -8.969 351 HG2 GLU 45 2HG GLU 45 -9.036 12.743 -10.021 352 HG3 GLU 45 1HG GLU 45 -8.275 12.279 -11.542 353 H GLN 46 H GLN 46 -7.653 11.785 -7.175 354 HA GLN 46 HA GLN 46 -8.173 14.435 -6.120 355 HB2 GLN 46 2HB GLN 46 -10.136 14.326 -7.400 356 HB3 GLN 46 1HB GLN 46 -10.332 12.601 -7.121 357 HG2 GLN 46 2HG GLN 46 -10.452 13.876 -4.602 358 HG3 GLN 46 1HG GLN 46 -11.484 14.785 -5.707 359 HE21 GLN 46 1HE2 GLN 46 -10.801 11.545 -4.490 360 HE22 GLN 46 2HE2 GLN 46 -12.400 10.928 -4.723 361 H TYR 47 H TYR 47 -7.558 14.294 -4.087 362 HA TYR 47 HA TYR 47 -8.394 11.965 -2.513 363 HB2 TYR 47 2HB TYR 47 -6.250 11.906 -1.360 364 HB3 TYR 47 1HB TYR 47 -5.986 11.743 -3.090 365 HD1 TYR 47 HD1 TYR 47 -5.407 13.975 -4.358 366 HD2 TYR 47 HD2 TYR 47 -4.985 13.425 -0.161 367 HE1 TYR 47 HE1 TYR 47 -3.794 15.828 -4.281 368 HE2 TYR 47 HE2 TYR 47 -3.370 15.275 -0.077 369 HH TYR 47 HH TYR 47 -2.946 17.465 -2.581 370 H THR 48 H THR 48 -8.950 15.021 -2.986 371 HA THR 48 HA THR 48 -8.846 15.881 -0.194 372 HB THR 48 HB THR 48 -9.737 17.577 -2.518 373 HG1 THR 48 HG1 THR 48 -7.055 17.433 -1.572 374 HG21 THR 48 3HG2 THR 48 -10.152 18.466 -0.284 375 HG22 THR 48 1HG2 THR 48 -8.894 19.403 -1.094 376 HG23 THR 48 2HG2 THR 48 -8.458 18.224 0.145 377 H ASP 49 H ASP 49 -10.558 14.643 0.628 378 HA ASP 49 HA ASP 49 -13.152 14.663 -0.565 379 HB2 ASP 49 2HB ASP 49 -13.753 13.164 1.065 380 HB3 ASP 49 1HB ASP 49 -12.005 12.982 1.146 381 H GLY 50 H GLY 50 -11.673 16.374 2.177 382 HA2 GLY 50 2HA GLY 50 -12.193 18.734 2.417 383 HA3 GLY 50 1HA GLY 50 -13.828 18.363 1.910 384 H LYS 51 H LYS 51 -13.228 15.871 3.916 385 HA LYS 51 HA LYS 51 -13.801 17.418 6.344 386 HB2 LYS 51 2HB LYS 51 -15.452 15.094 5.346 387 HB3 LYS 51 1HB LYS 51 -15.597 15.791 6.954 388 HG2 LYS 51 2HG LYS 51 -17.151 17.124 6.100 389 HG3 LYS 51 1HG LYS 51 -15.844 17.965 5.266 390 HD2 LYS 51 2HD LYS 51 -17.406 17.435 3.591 391 HD3 LYS 51 1HD LYS 51 -16.119 16.242 3.418 392 HE2 LYS 51 2HE LYS 51 -17.483 14.658 4.760 393 HE3 LYS 51 1HE LYS 51 -18.784 15.847 4.772 394 HZ1 LYS 51 3HZ LYS 51 -18.788 15.735 2.321 395 HZ2 LYS 51 1HZ LYS 51 -19.182 14.260 3.051 396 HZ3 LYS 51 2HZ LYS 51 -17.646 14.489 2.389 397 H GLY 52 H GLY 52 -11.491 15.862 5.354 398 HA2 GLY 52 2HA GLY 52 -9.866 14.861 6.789 399 HA3 GLY 52 1HA GLY 52 -11.173 14.217 7.772 400 H GLN 53 H GLN 53 -9.419 13.881 4.772 401 HA GLN 53 HA GLN 53 -10.714 11.446 3.999 402 HB2 GLN 53 2HB GLN 53 -8.888 11.377 2.270 403 HB3 GLN 53 1HB GLN 53 -9.885 12.825 2.243 404 HG2 GLN 53 2HG GLN 53 -7.347 12.858 3.797 405 HG3 GLN 53 1HG GLN 53 -7.273 12.965 2.041 406 HE21 GLN 53 1HE2 GLN 53 -7.987 14.809 1.023 407 HE22 GLN 53 2HE2 GLN 53 -8.375 16.264 1.885 408 H LYS 54 H LYS 54 -10.027 9.389 4.209 409 HA LYS 54 HA LYS 54 -7.805 8.932 6.067 410 HB2 LYS 54 2HB LYS 54 -10.098 8.145 6.706 411 HB3 LYS 54 1HB LYS 54 -10.050 7.051 5.333 412 HG2 LYS 54 2HG LYS 54 -8.134 5.900 6.302 413 HG3 LYS 54 1HG LYS 54 -8.154 7.014 7.671 414 HD2 LYS 54 2HD LYS 54 -10.397 6.248 8.267 415 HD3 LYS 54 1HD LYS 54 -10.383 5.134 6.900 416 HE2 LYS 54 2HE LYS 54 -8.497 3.943 7.873 417 HE3 LYS 54 1HE LYS 54 -8.457 5.085 9.219 418 HZ1 LYS 54 3HZ LYS 54 -10.674 4.359 9.844 419 HZ2 LYS 54 1HZ LYS 54 -9.604 3.050 9.825 420 HZ3 LYS 54 2HZ LYS 54 -10.706 3.261 8.560 421 H ILE 55 H ILE 55 -5.999 8.532 5.025 422 HA ILE 55 HA ILE 55 -6.077 6.830 2.625 423 HB ILE 55 HB ILE 55 -3.719 8.512 3.458 424 HG12 ILE 55 2HG1 ILE 55 -5.977 9.344 1.621 425 HG13 ILE 55 1HG1 ILE 55 -5.720 9.964 3.248 426 HG21 ILE 55 1HG2 ILE 55 -3.697 6.604 1.674 427 HG22 ILE 55 2HG2 ILE 55 -2.883 8.131 1.338 428 HG23 ILE 55 3HG2 ILE 55 -4.475 7.815 0.652 429 HD11 ILE 55 3HD1 ILE 55 -4.914 11.529 1.594 430 HD12 ILE 55 1HD1 ILE 55 -3.855 10.292 0.914 431 HD13 ILE 55 2HD1 ILE 55 -3.573 10.891 2.547 432 H SER 56 H SER 56 -6.363 5.149 4.441 433 HA SER 56 HA SER 56 -3.822 4.393 5.660 434 HB2 SER 56 2HB SER 56 -6.539 3.113 6.021 435 HB3 SER 56 1HB SER 56 -5.106 2.865 7.019 436 HG SER 56 HG SER 56 -5.514 5.452 6.987 437 H VAL 57 H VAL 57 -2.569 3.435 4.184 438 HA VAL 57 HA VAL 57 -3.669 1.504 2.311 439 HB VAL 57 HB VAL 57 -0.806 2.423 2.661 440 HG11 VAL 57 1HG1 VAL 57 -2.149 0.849 0.463 441 HG12 VAL 57 2HG1 VAL 57 -0.871 0.297 1.546 442 HG13 VAL 57 3HG1 VAL 57 -0.531 1.545 0.348 443 HG21 VAL 57 3HG2 VAL 57 -2.927 3.367 0.740 444 HG22 VAL 57 1HG2 VAL 57 -1.226 3.820 0.681 445 HG23 VAL 57 2HG2 VAL 57 -2.215 4.292 2.061 446 H HIS 58 H HIS 58 -4.194 -0.327 3.431 447 HA HIS 58 HA HIS 58 -2.124 -1.490 5.163 448 HB2 HIS 58 2HB HIS 58 -5.053 -2.178 4.835 449 HB3 HIS 58 1HB HIS 58 -3.947 -3.074 5.866 450 HD1 HIS 58 HD1 HIS 58 -6.299 -1.922 7.257 451 HD2 HIS 58 HD2 HIS 58 -2.812 0.276 6.654 452 HE1 HIS 58 HE1 HIS 58 -6.325 -0.106 9.001 453 H VAL 59 H VAL 59 -0.698 -2.380 3.692 454 HA VAL 59 HA VAL 59 -1.746 -4.278 1.727 455 HB VAL 59 HB VAL 59 0.789 -4.372 1.090 456 HG11 VAL 59 1HG1 VAL 59 -0.995 -3.423 -0.301 457 HG12 VAL 59 2HG1 VAL 59 0.491 -2.476 -0.413 458 HG13 VAL 59 3HG1 VAL 59 -0.856 -1.897 0.572 459 HG21 VAL 59 3HG2 VAL 59 1.584 -3.134 3.071 460 HG22 VAL 59 1HG2 VAL 59 0.681 -1.719 2.530 461 HG23 VAL 59 2HG2 VAL 59 2.023 -2.331 1.564 462 H LYS 60 H LYS 60 -2.353 -5.836 3.323 463 HA LYS 60 HA LYS 60 -0.267 -7.053 4.915 464 HB2 LYS 60 2HB LYS 60 -3.053 -8.141 4.639 465 HB3 LYS 60 1HB LYS 60 -1.958 -8.249 6.010 466 HG2 LYS 60 2HG LYS 60 -2.272 -5.574 5.856 467 HG3 LYS 60 1HG LYS 60 -3.836 -6.118 5.253 468 HD2 LYS 60 2HD LYS 60 -4.146 -5.911 7.560 469 HD3 LYS 60 1HD LYS 60 -3.886 -7.639 7.312 470 HE2 LYS 60 2HE LYS 60 -1.609 -7.462 8.035 471 HE3 LYS 60 1HE LYS 60 -1.709 -5.704 8.083 472 HZ1 LYS 60 3HZ LYS 60 -3.292 -5.865 9.886 473 HZ2 LYS 60 1HZ LYS 60 -1.876 -6.693 10.287 474 HZ3 LYS 60 2HZ LYS 60 -3.253 -7.553 9.821 475 H LEU 61 H LEU 61 0.914 -7.566 2.849 476 HA LEU 61 HA LEU 61 -0.095 -9.776 1.291 477 HB2 LEU 61 2HB LEU 61 2.704 -8.641 1.308 478 HB3 LEU 61 1HB LEU 61 1.973 -9.632 0.062 479 HG LEU 61 HG LEU 61 0.391 -7.266 0.429 480 HD11 LEU 61 1HD1 LEU 61 2.052 -5.614 -0.307 481 HD12 LEU 61 2HD1 LEU 61 3.326 -6.816 -0.098 482 HD13 LEU 61 3HD1 LEU 61 2.415 -6.248 1.299 483 HD21 LEU 61 3HD2 LEU 61 0.420 -8.665 -1.569 484 HD22 LEU 61 1HD2 LEU 61 2.113 -8.254 -1.845 485 HD23 LEU 61 2HD2 LEU 61 0.873 -7.005 -1.958 486 H GLY 62 H GLY 62 3.122 -9.551 2.755 487 HA2 GLY 62 2HA GLY 62 3.256 -11.185 4.794 488 HA3 GLY 62 1HA GLY 62 2.892 -12.361 3.539 489 H ASN 63 H ASN 63 4.517 -13.159 2.355 490 HA ASN 63 HA ASN 63 7.196 -12.102 2.882 491 HB2 ASN 63 2HB ASN 63 8.023 -14.270 2.134 492 HB3 ASN 63 1HB ASN 63 6.802 -14.485 3.384 493 HD21 ASN 63 1HD2 ASN 63 7.740 -16.319 1.303 494 HD22 ASN 63 2HD2 ASN 63 6.333 -16.775 0.403 495 H ARG 64 H ARG 64 5.271 -10.944 0.922 496 HA ARG 64 HA ARG 64 6.204 -11.621 -1.693 497 HB2 ARG 64 2HB ARG 64 3.995 -10.686 -1.472 498 HB3 ARG 64 1HB ARG 64 4.622 -9.264 -0.656 499 HG2 ARG 64 2HG ARG 64 4.066 -8.641 -2.884 500 HG3 ARG 64 1HG ARG 64 5.826 -8.669 -2.764 501 HD2 ARG 64 2HD ARG 64 4.345 -11.087 -3.732 502 HD3 ARG 64 1HD ARG 64 4.634 -9.737 -4.826 503 HE ARG 64 HE ARG 64 7.036 -10.526 -3.525 504 HH11 ARG 64 1HH1 ARG 64 4.843 -11.430 -6.113 505 HH12 ARG 64 2HH1 ARG 64 6.051 -12.296 -7.004 506 HH21 ARG 64 1HH2 ARG 64 8.622 -11.690 -4.701 507 HH22 ARG 64 2HH2 ARG 64 8.191 -12.452 -6.202 508 H PHE 65 H PHE 65 7.069 -9.292 0.756 509 HA PHE 65 HA PHE 65 8.761 -7.802 0.977 510 HB2 PHE 65 2HB PHE 65 9.941 -10.085 0.233 511 HB3 PHE 65 1HB PHE 65 10.381 -9.102 -1.160 512 HD1 PHE 65 HD1 PHE 65 10.404 -8.992 2.562 513 HD2 PHE 65 HD2 PHE 65 12.307 -7.846 -1.062 514 HE1 PHE 65 HE1 PHE 65 12.260 -8.014 3.852 515 HE2 PHE 65 HE2 PHE 65 14.167 -6.865 0.216 516 HZ PHE 65 HZ PHE 65 14.144 -6.948 2.678 517 H LEU 66 H LEU 66 6.993 -6.543 -0.242 518 HA LEU 66 HA LEU 66 7.439 -5.795 -2.941 519 HB2 LEU 66 2HB LEU 66 5.279 -5.560 -1.683 520 HB3 LEU 66 1HB LEU 66 5.997 -4.227 -0.799 521 HG LEU 66 HG LEU 66 6.267 -2.994 -2.940 522 HD11 LEU 66 1HD1 LEU 66 5.026 -3.797 -4.913 523 HD12 LEU 66 2HD1 LEU 66 4.727 -5.321 -4.080 524 HD13 LEU 66 3HD1 LEU 66 6.376 -4.848 -4.486 525 HD21 LEU 66 3HD2 LEU 66 3.460 -3.902 -2.319 526 HD22 LEU 66 1HD2 LEU 66 3.899 -2.449 -3.215 527 HD23 LEU 66 2HD2 LEU 66 4.330 -2.599 -1.513 528 H TYR 67 H TYR 67 8.146 -3.700 -3.699 529 HA TYR 67 HA TYR 67 10.584 -2.900 -2.452 530 HB2 TYR 67 2HB TYR 67 9.082 -1.974 -4.891 531 HB3 TYR 67 1HB TYR 67 10.516 -1.123 -4.318 532 HD1 TYR 67 HD2 TYR 67 9.524 -4.699 -4.876 533 HD2 TYR 67 HD1 TYR 67 12.458 -1.668 -5.439 534 HE1 TYR 67 HE2 TYR 67 10.951 -6.309 -6.066 535 HE2 TYR 67 HE1 TYR 67 13.888 -3.275 -6.631 536 HH TYR 67 HH TYR 67 14.221 -5.459 -7.094 537 H LYS 68 H LYS 68 9.952 -2.180 -0.436 538 HA LYS 68 HA LYS 68 8.041 -0.292 0.228 539 HB2 LYS 68 2HB LYS 68 9.538 -1.751 1.720 540 HB3 LYS 68 1HB LYS 68 10.735 -0.481 1.568 541 HG2 LYS 68 2HG LYS 68 7.983 0.185 2.506 542 HG3 LYS 68 1HG LYS 68 9.129 -0.552 3.614 543 HD2 LYS 68 2HD LYS 68 9.188 2.142 2.329 544 HD3 LYS 68 1HD LYS 68 9.447 1.700 4.012 545 HE2 LYS 68 2HE LYS 68 11.354 1.311 1.710 546 HE3 LYS 68 1HE LYS 68 11.534 2.423 3.059 547 HZ1 LYS 68 3HZ LYS 68 12.098 0.746 4.485 548 HZ2 LYS 68 1HZ LYS 68 12.783 0.170 3.052 549 HZ3 LYS 68 2HZ LYS 68 11.309 -0.457 3.602 550 H GLU 69 H GLU 69 11.435 0.202 -0.648 551 HA GLU 69 HA GLU 69 11.650 2.932 -0.320 552 HB2 GLU 69 2HB GLU 69 12.975 0.927 -2.092 553 HB3 GLU 69 1HB GLU 69 13.284 2.630 -2.389 554 HG2 GLU 69 2HG GLU 69 15.011 1.671 -0.987 555 HG3 GLU 69 1HG GLU 69 14.104 2.893 -0.103 556 H GLN 70 H GLN 70 10.265 1.150 -3.017 557 HA GLN 70 HA GLN 70 10.046 3.320 -4.815 558 HB2 GLN 70 2HB GLN 70 8.868 0.597 -4.621 559 HB3 GLN 70 1HB GLN 70 8.094 1.755 -5.693 560 HG2 GLN 70 2HG GLN 70 10.293 2.104 -6.796 561 HG3 GLN 70 1HG GLN 70 10.936 0.790 -5.808 562 HE21 GLN 70 1HE2 GLN 70 7.671 0.789 -7.032 563 HE22 GLN 70 2HE2 GLN 70 7.888 -0.485 -8.179 564 H GLU 71 H GLU 71 7.732 1.893 -2.537 565 HA GLU 71 HA GLU 71 5.663 3.737 -3.221 566 HB2 GLU 71 2HB GLU 71 5.921 2.048 -0.727 567 HB3 GLU 71 1HB GLU 71 4.454 2.827 -1.310 568 HG2 GLU 71 2HG GLU 71 5.876 0.431 -2.374 569 HG3 GLU 71 1HG GLU 71 4.170 0.645 -1.988 570 H GLU 72 H GLU 72 8.228 3.621 -0.866 571 HA GLU 72 HA GLU 72 7.321 5.716 0.784 572 HB2 GLU 72 2HB GLU 72 9.002 4.241 1.617 573 HB3 GLU 72 1HB GLU 72 10.079 4.608 0.278 574 HG2 GLU 72 2HG GLU 72 10.683 6.650 1.151 575 HG3 GLU 72 1HG GLU 72 9.210 6.794 2.107 576 H GLN 73 H GLN 73 9.598 5.720 -1.968 577 HA GLN 73 HA GLN 73 10.248 8.430 -1.854 578 HB2 GLN 73 2HB GLN 73 10.904 8.205 -4.247 579 HB3 GLN 73 1HB GLN 73 11.582 6.971 -3.196 580 HG2 GLN 73 2HG GLN 73 10.890 5.523 -4.722 581 HG3 GLN 73 1HG GLN 73 9.277 5.795 -4.068 582 HE21 GLN 73 1HE2 GLN 73 8.199 5.439 -5.957 583 HE22 GLN 73 2HE2 GLN 73 8.303 6.495 -7.329 584 H LEU 74 H LEU 74 7.412 6.883 -3.286 585 HA LEU 74 HA LEU 74 6.628 9.356 -4.560 586 HB2 LEU 74 2HB LEU 74 4.669 8.206 -5.337 587 HB3 LEU 74 1HB LEU 74 6.077 7.204 -5.610 588 HG LEU 74 HG LEU 74 5.263 6.178 -3.259 589 HD11 LEU 74 1HD1 LEU 74 3.317 7.672 -3.123 590 HD12 LEU 74 2HD1 LEU 74 2.847 5.976 -3.241 591 HD13 LEU 74 3HD1 LEU 74 2.724 7.025 -4.653 592 HD21 LEU 74 3HD2 LEU 74 5.727 4.889 -5.242 593 HD22 LEU 74 1HD2 LEU 74 4.252 5.474 -6.010 594 HD23 LEU 74 2HD2 LEU 74 4.154 4.423 -4.599 595 H THR 75 H THR 75 5.917 7.623 -1.612 596 HA THR 75 HA THR 75 3.688 9.238 -0.860 597 HB THR 75 HB THR 75 5.469 7.532 0.895 598 HG1 THR 75 HG1 THR 75 4.514 6.238 -0.671 599 HG21 THR 75 3HG2 THR 75 2.688 8.623 1.332 600 HG22 THR 75 1HG2 THR 75 4.143 9.081 2.211 601 HG23 THR 75 2HG2 THR 75 3.489 7.454 2.378 602 H GLU 76 H GLU 76 7.131 9.457 -0.554 603 HA GLU 76 HA GLU 76 7.558 11.154 1.551 604 HB2 GLU 76 2HB GLU 76 8.901 10.838 -1.101 605 HB3 GLU 76 1HB GLU 76 9.425 12.118 -0.013 606 HG2 GLU 76 2HG GLU 76 9.209 9.294 0.944 607 HG3 GLU 76 1HG GLU 76 10.624 9.839 0.041 608 H LEU 77 H LEU 77 6.381 11.992 -1.658 609 HA LEU 77 HA LEU 77 6.600 14.775 -1.490 610 HB2 LEU 77 2HB LEU 77 4.814 12.925 -3.020 611 HB3 LEU 77 1HB LEU 77 4.529 14.652 -3.083 612 HG LEU 77 HG LEU 77 6.919 14.914 -3.882 613 HD11 LEU 77 1HD1 LEU 77 7.759 12.747 -3.121 614 HD12 LEU 77 2HD1 LEU 77 7.992 12.960 -4.858 615 HD13 LEU 77 3HD1 LEU 77 6.688 11.931 -4.265 616 HD21 LEU 77 3HD2 LEU 77 5.041 13.295 -5.601 617 HD22 LEU 77 1HD2 LEU 77 6.377 14.295 -6.173 618 HD23 LEU 77 2HD2 LEU 77 4.991 15.044 -5.383 619 H ILE 78 H ILE 78 3.831 12.677 -0.748 620 HA ILE 78 HA ILE 78 2.250 14.829 0.293 621 HB ILE 78 HB ILE 78 1.795 11.865 0.663 622 HG12 ILE 78 2HG1 ILE 78 0.106 12.899 -1.351 623 HG13 ILE 78 1HG1 ILE 78 1.729 13.461 -1.737 624 HG21 ILE 78 1HG2 ILE 78 -0.563 12.514 0.886 625 HG22 ILE 78 2HG2 ILE 78 -0.101 14.208 0.745 626 HG23 ILE 78 3HG2 ILE 78 0.447 13.261 2.126 627 HD11 ILE 78 3HD1 ILE 78 0.899 10.602 -1.294 628 HD12 ILE 78 1HD1 ILE 78 2.534 11.155 -1.658 629 HD13 ILE 78 2HD1 ILE 78 1.249 11.365 -2.846 630 H ALA 79 H ALA 79 4.426 12.441 1.611 631 HA ALA 79 HA ALA 79 3.683 12.523 4.309 632 HB1 ALA 79 1HB ALA 79 6.439 12.072 3.176 633 HB2 ALA 79 2HB ALA 79 5.881 11.618 4.785 634 HB3 ALA 79 3HB ALA 79 5.191 10.841 3.363 635 H SER 80 H SER 80 5.424 14.822 2.398 636 HA SER 80 HA SER 80 6.803 16.157 4.467 637 HB2 SER 80 2HB SER 80 5.811 17.248 1.822 638 HB3 SER 80 1HB SER 80 7.033 17.989 2.852 639 HG SER 80 HG SER 80 7.189 15.634 1.312 640 H LYS 81 H LYS 81 3.529 16.302 3.311 641 HA LYS 81 HA LYS 81 2.865 18.131 5.493 642 HB2 LYS 81 2HB LYS 81 1.172 19.209 3.903 643 HB3 LYS 81 1HB LYS 81 2.858 19.663 3.712 644 HG2 LYS 81 2HG LYS 81 3.072 18.174 1.811 645 HG3 LYS 81 1HG LYS 81 1.407 17.627 2.028 646 HD2 LYS 81 2HD LYS 81 0.582 19.855 1.558 647 HD3 LYS 81 1HD LYS 81 2.230 20.474 1.452 648 HE2 LYS 81 2HE LYS 81 2.656 19.062 -0.479 649 HE3 LYS 81 1HE LYS 81 1.036 18.379 -0.357 650 HZ1 LYS 81 3HZ LYS 81 1.169 20.105 -2.048 651 HZ2 LYS 81 1HZ LYS 81 1.668 21.231 -0.888 652 HZ3 LYS 81 2HZ LYS 81 0.116 20.558 -0.804 653 H LYS 82 H LYS 82 2.624 15.498 5.709 654 HA LYS 82 HA LYS 82 0.120 14.486 4.808 655 HB2 LYS 82 2HB LYS 82 0.610 12.666 6.554 656 HB3 LYS 82 1HB LYS 82 1.710 12.824 5.194 657 HG2 LYS 82 2HG LYS 82 3.272 14.067 6.592 658 HG3 LYS 82 1HG LYS 82 2.167 13.913 7.961 659 HD2 LYS 82 2HD LYS 82 2.374 11.478 7.844 660 HD3 LYS 82 1HD LYS 82 3.484 11.637 6.482 661 HE2 LYS 82 2HE LYS 82 4.694 11.279 8.567 662 HE3 LYS 82 1HE LYS 82 5.048 12.865 7.886 663 HZ1 LYS 82 3HZ LYS 82 3.505 13.845 9.457 664 HZ2 LYS 82 1HZ LYS 82 4.693 12.969 10.278 665 HZ3 LYS 82 2HZ LYS 82 3.139 12.327 10.095 666 H ASP 83 H ASP 83 -1.222 16.233 5.476 667 HA ASP 83 HA ASP 83 -1.794 16.486 8.321 668 HB2 ASP 83 2HB ASP 83 -1.735 18.500 6.879 669 HB3 ASP 83 1HB ASP 83 -3.043 17.835 5.909 670 H LEU 84 H LEU 84 -2.558 14.436 5.911 671 HA LEU 84 HA LEU 84 -5.358 14.019 6.631 672 HB2 LEU 84 2HB LEU 84 -3.801 12.417 4.613 673 HB3 LEU 84 1HB LEU 84 -5.532 12.640 4.716 674 HG LEU 84 HG LEU 84 -5.021 13.916 2.877 675 HD11 LEU 84 1HD1 LEU 84 -4.715 15.862 5.153 676 HD12 LEU 84 2HD1 LEU 84 -6.223 15.341 4.402 677 HD13 LEU 84 3HD1 LEU 84 -5.062 16.297 3.480 678 HD21 LEU 84 3HD2 LEU 84 -2.606 13.611 2.984 679 HD22 LEU 84 1HD2 LEU 84 -2.496 14.860 4.223 680 HD23 LEU 84 2HD2 LEU 84 -3.028 15.277 2.596 681 H PHE 85 H PHE 85 -5.974 11.590 6.783 682 HA PHE 85 HA PHE 85 -4.303 10.422 8.850 683 HB2 PHE 85 2HB PHE 85 -6.914 9.422 7.688 684 HB3 PHE 85 1HB PHE 85 -6.120 8.800 9.127 685 HD1 PHE 85 HD1 PHE 85 -6.147 10.051 11.199 686 HD2 PHE 85 HD2 PHE 85 -8.116 11.505 7.720 687 HE1 PHE 85 HE1 PHE 85 -7.394 11.658 12.583 688 HE2 PHE 85 HE2 PHE 85 -9.367 13.114 9.095 689 HZ PHE 85 HZ PHE 85 -9.006 13.189 11.526 690 H VAL 86 H VAL 86 -2.582 10.182 7.122 691 HA VAL 86 HA VAL 86 -3.015 7.834 5.435 692 HB VAL 86 HB VAL 86 -2.168 9.738 4.230 693 HG11 VAL 86 1HG1 VAL 86 0.151 9.735 6.154 694 HG12 VAL 86 2HG1 VAL 86 -1.132 10.943 6.067 695 HG13 VAL 86 3HG1 VAL 86 -0.003 10.757 4.724 696 HG21 VAL 86 3HG2 VAL 86 -1.377 7.594 3.462 697 HG22 VAL 86 1HG2 VAL 86 -0.046 7.627 4.619 698 HG23 VAL 86 2HG2 VAL 86 -0.087 8.784 3.289 699 H HIS 87 H HIS 87 -2.232 5.929 5.971 700 HA HIS 87 HA HIS 87 0.266 5.655 7.387 701 HB2 HIS 87 2HB HIS 87 -2.287 5.407 8.789 702 HB3 HIS 87 1HB HIS 87 -1.295 3.960 8.921 703 HD1 HIS 87 HD1 HIS 87 1.370 4.655 9.600 704 HD2 HIS 87 HD2 HIS 87 -1.736 7.175 10.744 705 HE1 HIS 87 HE1 HIS 87 2.282 6.034 11.489 706 H SER 88 H SER 88 1.297 3.969 6.585 707 HA SER 88 HA SER 88 -0.286 1.852 5.274 708 HB2 SER 88 2HB SER 88 2.521 2.712 4.523 709 HB3 SER 88 1HB SER 88 1.460 1.621 3.634 710 HG SER 88 HG SER 88 1.667 4.065 3.101 711 H ILE 89 H ILE 89 0.236 -0.249 5.667 712 HA ILE 89 HA ILE 89 2.589 -0.879 7.254 713 HB ILE 89 HB ILE 89 0.979 -0.435 9.002 714 HG12 ILE 89 2HG1 ILE 89 1.310 -3.417 8.609 715 HG13 ILE 89 1HG1 ILE 89 2.499 -2.342 9.338 716 HG21 ILE 89 1HG2 ILE 89 -1.143 -1.614 9.186 717 HG22 ILE 89 2HG2 ILE 89 -0.832 -2.432 7.655 718 HG23 ILE 89 3HG2 ILE 89 -1.067 -0.684 7.691 719 HD11 ILE 89 3HD1 ILE 89 1.300 -3.573 11.037 720 HD12 ILE 89 1HD1 ILE 89 -0.239 -2.971 10.423 721 HD13 ILE 89 2HD1 ILE 89 0.919 -1.855 11.145 722 H ASP 90 H ASP 90 3.401 -2.874 6.783 723 HA ASP 90 HA ASP 90 1.772 -4.544 4.985 724 HB2 ASP 90 2HB ASP 90 3.629 -5.062 3.720 725 HB3 ASP 90 1HB ASP 90 4.044 -3.432 4.226 726 H SER 91 H SER 91 3.152 -6.922 5.096 727 HA SER 91 HA SER 91 3.081 -7.608 7.956 728 HB2 SER 91 2HB SER 91 1.879 -9.253 5.719 729 HB3 SER 91 1HB SER 91 1.902 -9.688 7.429 730 HG SER 91 HG SER 91 0.843 -7.371 7.473 731 H GLU 92 H GLU 92 5.478 -7.137 7.051 732 HA GLU 92 HA GLU 92 6.759 -9.322 5.749 733 HB2 GLU 92 2HB GLU 92 8.865 -8.178 6.577 734 HB3 GLU 92 1HB GLU 92 7.816 -7.214 5.549 735 HG2 GLU 92 2HG GLU 92 7.744 -5.642 7.098 736 HG3 GLU 92 1HG GLU 92 7.013 -6.783 8.225 737 H VAL 93 H VAL 93 8.703 -10.397 6.840 738 HA VAL 93 HA VAL 93 7.930 -11.265 9.546 739 HB VAL 93 HB VAL 93 7.472 -12.984 7.811 740 HG11 VAL 93 1HG1 VAL 93 9.308 -12.431 6.285 741 HG12 VAL 93 2HG1 VAL 93 9.301 -14.142 6.718 742 HG13 VAL 93 3HG1 VAL 93 10.462 -13.048 7.468 743 HG21 VAL 93 3HG2 VAL 93 7.888 -13.683 10.094 744 HG22 VAL 93 1HG2 VAL 93 9.626 -13.685 9.801 745 HG23 VAL 93 2HG2 VAL 93 8.593 -14.848 8.976 746 H ILE 94 H ILE 94 10.397 -10.086 7.489 747 HA ILE 94 HA ILE 94 12.222 -9.954 9.719 748 HB ILE 94 HB ILE 94 12.955 -12.044 8.799 749 HG12 ILE 94 2HG1 ILE 94 14.802 -9.861 7.807 750 HG13 ILE 94 1HG1 ILE 94 14.704 -10.419 9.473 751 HG21 ILE 94 1HG2 ILE 94 13.589 -12.354 6.478 752 HG22 ILE 94 2HG2 ILE 94 13.166 -10.682 6.121 753 HG23 ILE 94 3HG2 ILE 94 11.909 -11.827 6.583 754 HD11 ILE 94 3HD1 ILE 94 15.522 -12.098 7.113 755 HD12 ILE 94 1HD1 ILE 94 15.489 -12.613 8.798 756 HD13 ILE 94 2HD1 ILE 94 16.618 -11.363 8.282 757 H THR 95 H THR 95 12.972 -7.969 9.795 758 HA THR 95 HA THR 95 12.744 -6.236 7.469 759 HB THR 95 HB THR 95 13.863 -5.332 10.098 760 HG1 THR 95 HG1 THR 95 11.117 -5.909 9.529 761 HG21 THR 95 3HG2 THR 95 11.989 -4.055 8.101 762 HG22 THR 95 1HG2 THR 95 13.723 -3.758 8.218 763 HG23 THR 95 2HG2 THR 95 12.656 -3.280 9.538 764 H LYS 96 H LYS 96 14.401 -6.458 6.061 765 HA LYS 96 HA LYS 96 17.042 -5.754 6.968 766 HB2 LYS 96 2HB LYS 96 18.197 -7.705 6.340 767 HB3 LYS 96 1HB LYS 96 16.808 -8.290 7.248 768 HG2 LYS 96 2HG LYS 96 15.679 -8.908 5.216 769 HG3 LYS 96 1HG LYS 96 16.950 -8.170 4.242 770 HD2 LYS 96 2HD LYS 96 18.462 -9.840 5.644 771 HD3 LYS 96 1HD LYS 96 16.945 -10.732 5.743 772 HE2 LYS 96 2HE LYS 96 18.332 -9.831 3.219 773 HE3 LYS 96 1HE LYS 96 18.252 -11.479 3.836 774 HZ1 LYS 96 3HZ LYS 96 15.922 -9.855 2.968 775 HZ2 LYS 96 1HZ LYS 96 15.862 -11.446 3.527 776 HZ3 LYS 96 2HZ LYS 96 16.641 -11.089 2.072 777 H LYS 97 H LYS 97 18.384 -5.037 5.315 778 HA LYS 97 HA LYS 97 17.488 -5.221 2.568 779 HB2 LYS 97 2HB LYS 97 17.628 -2.766 2.206 780 HB3 LYS 97 1HB LYS 97 16.291 -3.236 3.240 781 HG2 LYS 97 2HG LYS 97 17.620 -2.580 5.213 782 HG3 LYS 97 1HG LYS 97 18.909 -2.042 4.135 783 HD2 LYS 97 2HD LYS 97 16.085 -0.976 4.144 784 HD3 LYS 97 1HD LYS 97 17.474 -0.183 4.891 785 HE2 LYS 97 2HE LYS 97 18.561 -0.073 2.680 786 HE3 LYS 97 1HE LYS 97 17.129 -0.800 1.953 787 HZ1 LYS 97 3HZ LYS 97 17.354 1.720 1.873 788 HZ2 LYS 97 1HZ LYS 97 16.961 1.704 3.516 789 HZ3 LYS 97 2HZ LYS 97 15.862 1.096 2.376 790 H GLU 98 H GLU 98 19.168 -5.498 1.292 791 HA GLU 98 HA GLU 98 21.796 -5.584 2.374 792 HB2 GLU 98 2HB GLU 98 20.876 -5.817 -0.498 793 HB3 GLU 98 1HB GLU 98 22.465 -6.263 0.106 794 HG2 GLU 98 2HG GLU 98 21.473 -8.312 0.076 795 HG3 GLU 98 1HG GLU 98 21.061 -7.805 1.712 796 H ALA 99 H ALA 99 22.416 -3.565 3.026 797 HA ALA 99 HA ALA 99 22.336 -1.324 1.199 798 HB1 ALA 99 1HB ALA 99 23.574 -1.519 3.947 799 HB2 ALA 99 2HB ALA 99 23.295 -0.039 3.029 800 HB3 ALA 99 3HB ALA 99 21.926 -0.990 3.607 801 H GLN 100 H GLN 100 23.672 -2.716 -0.326 802 HA GLN 100 HA GLN 100 26.517 -2.811 0.265 803 HB2 GLN 100 2HB GLN 100 25.226 -4.615 -1.004 804 HB3 GLN 100 1HB GLN 100 25.175 -3.489 -2.353 805 HG2 GLN 100 2HG GLN 100 26.988 -4.874 -2.805 806 HG3 GLN 100 1HG GLN 100 27.708 -3.399 -2.165 807 HE21 GLN 100 1HE2 GLN 100 28.815 -6.054 -2.268 808 HE22 GLN 100 2HE2 GLN 100 29.161 -6.516 -0.639 809 H GLN 101 H GLN 101 28.088 -1.622 -0.825 810 HA GLN 101 HA GLN 101 27.229 0.979 -1.690 811 HB2 GLN 101 2HB GLN 101 29.364 0.353 -0.348 812 HB3 GLN 101 1HB GLN 101 30.048 -0.022 -1.924 813 HG2 GLN 101 2HG GLN 101 30.676 2.206 -1.351 814 HG3 GLN 101 1HG GLN 101 29.491 2.284 -2.655 815 HE21 GLN 101 1HE2 GLN 101 28.889 4.370 -2.160 816 HE22 GLN 101 2HE2 GLN 101 27.950 4.759 -0.764 817 H ILE 102 H ILE 102 26.016 0.397 -3.555 818 HA ILE 102 HA ILE 102 27.713 0.136 -5.933 819 HB ILE 102 HB ILE 102 26.839 -2.061 -5.762 820 HG12 ILE 102 2HG1 ILE 102 24.927 -0.664 -7.636 821 HG13 ILE 102 1HG1 ILE 102 26.631 -0.904 -8.000 822 HG21 ILE 102 1HG2 ILE 102 24.126 -0.855 -5.253 823 HG22 ILE 102 2HG2 ILE 102 25.136 -1.706 -4.086 824 HG23 ILE 102 3HG2 ILE 102 24.455 -2.575 -5.461 825 HD11 ILE 102 3HD1 ILE 102 24.650 -3.099 -7.461 826 HD12 ILE 102 1HD1 ILE 102 26.342 -3.299 -7.911 827 HD13 ILE 102 2HD1 ILE 102 25.202 -2.583 -9.053 828 H ARG 103 H ARG 103 27.526 2.076 -6.818 829 HA ARG 103 HA ARG 103 24.869 3.347 -6.896 830 HB2 ARG 103 2HB ARG 103 27.540 4.336 -6.293 831 HB3 ARG 103 1HB ARG 103 26.736 5.293 -7.526 832 HG2 ARG 103 2HG ARG 103 25.409 4.612 -4.927 833 HG3 ARG 103 1HG ARG 103 26.462 6.017 -5.109 834 HD2 ARG 103 2HD ARG 103 24.971 6.598 -7.128 835 HD3 ARG 103 1HD ARG 103 23.827 5.453 -6.428 836 HE ARG 103 HE ARG 103 23.648 6.864 -4.517 837 HH11 ARG 103 1HH1 ARG 103 25.446 8.263 -7.194 838 HH12 ARG 103 2HH1 ARG 103 25.319 9.884 -6.583 839 HH21 ARG 103 1HH2 ARG 103 23.483 9.008 -3.739 840 HH22 ARG 103 2HH2 ARG 103 24.203 10.304 -4.641 841 H GLU 104 H GLU 104 23.918 3.475 -8.804 842 HA GLU 104 HA GLU 104 25.384 2.862 -11.210 843 HB2 GLU 104 2HB GLU 104 23.216 3.027 -12.336 844 HB3 GLU 104 1HB GLU 104 23.096 2.016 -10.905 845 HG2 GLU 104 2HG GLU 104 22.431 4.890 -10.618 846 HG3 GLU 104 1HG GLU 104 21.300 3.864 -11.498 847 H GLU 105 H GLU 105 24.434 5.641 -9.472 848 HA GLU 105 HA GLU 105 25.026 7.388 -11.754 849 HB2 GLU 105 2HB GLU 105 24.160 8.854 -9.443 850 HB3 GLU 105 1HB GLU 105 23.410 8.758 -11.026 851 HG2 GLU 105 2HG GLU 105 22.196 6.759 -10.331 852 HG3 GLU 105 1HG GLU 105 22.962 6.840 -8.745 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -27.205 -4.256 -1.380 2 HA2 GLY 1 1HA GLY 1 -25.890 -4.408 0.547 3 HA3 GLY 1 2HA GLY 1 -27.051 -3.118 0.815 4 H SER 2 H SER 2 -26.172 -3.817 3.057 5 HA SER 2 HA SER 2 -26.563 -4.681 5.110 6 HB2 SER 2 2HB SER 2 -29.329 -5.264 4.037 7 HB3 SER 2 1HB SER 2 -28.869 -5.123 5.733 8 HG SER 2 HG SER 2 -29.752 -3.208 4.284 9 H HIS 3 H HIS 3 -25.027 -6.365 4.175 10 HA HIS 3 HA HIS 3 -26.253 -9.004 4.565 11 HB2 HIS 3 2HB HIS 3 -24.354 -8.231 2.342 12 HB3 HIS 3 1HB HIS 3 -24.639 -9.899 2.819 13 HD1 HIS 3 HD1 HIS 3 -27.823 -9.379 3.217 14 HD2 HIS 3 HD2 HIS 3 -25.521 -8.571 -0.153 15 HE1 HIS 3 HE1 HIS 3 -29.431 -9.362 1.283 16 H MET 4 H MET 4 -24.837 -10.587 5.428 17 HA MET 4 HA MET 4 -22.801 -9.447 7.126 18 HB2 MET 4 2HB MET 4 -22.698 -11.632 8.175 19 HB3 MET 4 1HB MET 4 -24.370 -11.125 8.009 20 HG2 MET 4 2HG MET 4 -24.633 -13.235 7.282 21 HG3 MET 4 1HG MET 4 -24.121 -12.537 5.748 22 HE1 MET 4 3HE MET 4 -24.000 -15.679 6.697 23 HE2 MET 4 1HE MET 4 -22.477 -16.147 5.939 24 HE3 MET 4 2HE MET 4 -23.620 -15.127 5.067 25 H LYS 5 H LYS 5 -20.625 -10.071 7.186 26 HA LYS 5 HA LYS 5 -19.639 -11.164 4.639 27 HB2 LYS 5 2HB LYS 5 -18.879 -8.871 6.179 28 HB3 LYS 5 1HB LYS 5 -17.525 -9.987 6.121 29 HG2 LYS 5 2HG LYS 5 -17.226 -8.569 4.284 30 HG3 LYS 5 1HG LYS 5 -17.891 -10.059 3.609 31 HD2 LYS 5 2HD LYS 5 -20.132 -9.029 3.596 32 HD3 LYS 5 1HD LYS 5 -19.429 -7.532 4.217 33 HE2 LYS 5 2HE LYS 5 -17.839 -7.842 2.124 34 HE3 LYS 5 1HE LYS 5 -19.217 -8.761 1.521 35 HZ1 LYS 5 3HZ LYS 5 -19.235 -6.381 0.905 36 HZ2 LYS 5 1HZ LYS 5 -19.398 -5.977 2.538 37 HZ3 LYS 5 2HZ LYS 5 -20.616 -6.856 1.758 38 H THR 6 H THR 6 -18.996 -13.200 4.755 39 HA THR 6 HA THR 6 -18.386 -14.404 7.322 40 HB THR 6 HB THR 6 -18.058 -16.044 4.897 41 HG1 THR 6 HG1 THR 6 -20.538 -14.767 5.532 42 HG21 THR 6 3HG2 THR 6 -19.736 -16.283 7.398 43 HG22 THR 6 1HG2 THR 6 -18.163 -17.027 7.118 44 HG23 THR 6 2HG2 THR 6 -19.560 -17.537 6.170 45 H LYS 7 H LYS 7 -16.516 -16.000 7.366 46 HA LYS 7 HA LYS 7 -14.085 -14.624 7.042 47 HB2 LYS 7 2HB LYS 7 -13.016 -16.679 7.786 48 HB3 LYS 7 1HB LYS 7 -14.451 -16.362 8.752 49 HG2 LYS 7 2HG LYS 7 -15.692 -17.979 7.322 50 HG3 LYS 7 1HG LYS 7 -14.169 -18.366 6.520 51 HD2 LYS 7 2HD LYS 7 -13.245 -18.980 8.769 52 HD3 LYS 7 1HD LYS 7 -14.872 -18.780 9.424 53 HE2 LYS 7 2HE LYS 7 -15.608 -20.431 7.620 54 HE3 LYS 7 1HE LYS 7 -13.896 -20.792 7.417 55 HZ1 LYS 7 3HZ LYS 7 -13.796 -21.399 9.760 56 HZ2 LYS 7 1HZ LYS 7 -14.925 -22.345 8.928 57 HZ3 LYS 7 2HZ LYS 7 -15.448 -21.085 9.930 58 H LYS 8 H LYS 8 -12.298 -15.073 5.691 59 HA LYS 8 HA LYS 8 -12.747 -16.749 3.348 60 HB2 LYS 8 2HB LYS 8 -12.699 -15.091 1.762 61 HB3 LYS 8 1HB LYS 8 -13.491 -14.211 3.061 62 HG2 LYS 8 2HG LYS 8 -10.534 -14.107 2.497 63 HG3 LYS 8 1HG LYS 8 -11.705 -12.937 1.898 64 HD2 LYS 8 2HD LYS 8 -12.118 -12.081 4.027 65 HD3 LYS 8 1HD LYS 8 -11.477 -13.516 4.830 66 HE2 LYS 8 2HE LYS 8 -9.215 -12.927 4.069 67 HE3 LYS 8 1HE LYS 8 -9.863 -11.501 3.265 68 HZ1 LYS 8 3HZ LYS 8 -10.607 -10.711 5.461 69 HZ2 LYS 8 1HZ LYS 8 -8.923 -10.871 5.345 70 HZ3 LYS 8 2HZ LYS 8 -9.834 -12.033 6.181 71 H GLN 9 H GLN 9 -10.706 -16.891 1.997 72 HA GLN 9 HA GLN 9 -8.411 -16.911 3.808 73 HB2 GLN 9 2HB GLN 9 -7.356 -18.459 2.287 74 HB3 GLN 9 1HB GLN 9 -8.981 -19.021 2.635 75 HG2 GLN 9 2HG GLN 9 -8.338 -17.439 0.172 76 HG3 GLN 9 1HG GLN 9 -8.156 -19.190 0.234 77 HE21 GLN 9 1HE2 GLN 9 -9.883 -17.683 -1.464 78 HE22 GLN 9 2HE2 GLN 9 -11.510 -18.156 -1.095 79 H GLN 10 H GLN 10 -9.611 -15.335 0.976 80 HA GLN 10 HA GLN 10 -7.375 -13.495 1.043 81 HB2 GLN 10 2HB GLN 10 -6.954 -13.659 -1.384 82 HB3 GLN 10 1HB GLN 10 -6.574 -15.159 -0.550 83 HG2 GLN 10 2HG GLN 10 -9.181 -15.541 -1.289 84 HG3 GLN 10 1HG GLN 10 -8.530 -14.617 -2.642 85 HE21 GLN 10 1HE2 GLN 10 -5.845 -15.638 -2.352 86 HE22 GLN 10 2HE2 GLN 10 -5.876 -17.274 -2.908 87 H TYR 11 H TYR 11 -7.942 -11.448 0.327 88 HA TYR 11 HA TYR 11 -10.456 -11.044 -1.056 89 HB2 TYR 11 2HB TYR 11 -10.755 -11.193 1.578 90 HB3 TYR 11 1HB TYR 11 -10.197 -9.528 1.498 91 HD1 TYR 11 HD2 TYR 11 -12.612 -11.703 -0.348 92 HD2 TYR 11 HD1 TYR 11 -11.865 -7.942 1.479 93 HE1 TYR 11 HE2 TYR 11 -14.896 -10.990 -0.902 94 HE2 TYR 11 HE1 TYR 11 -14.151 -7.215 0.934 95 HH TYR 11 HH TYR 11 -16.552 -9.404 -0.149 96 H VAL 12 H VAL 12 -10.712 -8.914 -1.843 97 HA VAL 12 HA VAL 12 -8.480 -7.078 -1.460 98 HB VAL 12 HB VAL 12 -7.889 -8.407 -3.445 99 HG11 VAL 12 1HG1 VAL 12 -10.499 -7.411 -4.569 100 HG12 VAL 12 2HG1 VAL 12 -10.077 -9.082 -4.198 101 HG13 VAL 12 3HG1 VAL 12 -9.245 -8.229 -5.497 102 HG21 VAL 12 3HG2 VAL 12 -8.683 -5.561 -4.043 103 HG22 VAL 12 1HG2 VAL 12 -7.604 -6.534 -5.042 104 HG23 VAL 12 2HG2 VAL 12 -7.142 -6.119 -3.390 105 H THR 13 H THR 13 -9.087 -4.967 -1.481 106 HA THR 13 HA THR 13 -11.570 -4.135 -2.688 107 HB THR 13 HB THR 13 -12.362 -4.990 -0.525 108 HG1 THR 13 HG1 THR 13 -13.672 -3.368 -0.966 109 HG21 THR 13 3HG2 THR 13 -10.375 -4.711 0.828 110 HG22 THR 13 1HG2 THR 13 -11.714 -3.827 1.564 111 HG23 THR 13 2HG2 THR 13 -10.471 -2.958 0.665 112 H ILE 14 H ILE 14 -11.623 -1.967 -3.122 113 HA ILE 14 HA ILE 14 -9.457 -0.274 -2.089 114 HB ILE 14 HB ILE 14 -10.238 -0.231 -5.006 115 HG12 ILE 14 2HG1 ILE 14 -7.746 -1.507 -3.865 116 HG13 ILE 14 1HG1 ILE 14 -9.164 -2.422 -4.357 117 HG21 ILE 14 1HG2 ILE 14 -7.881 0.936 -3.527 118 HG22 ILE 14 2HG2 ILE 14 -9.287 1.825 -4.111 119 HG23 ILE 14 3HG2 ILE 14 -8.182 1.070 -5.260 120 HD11 ILE 14 3HD1 ILE 14 -7.467 -0.697 -6.143 121 HD12 ILE 14 1HD1 ILE 14 -8.902 -1.592 -6.640 122 HD13 ILE 14 2HD1 ILE 14 -7.471 -2.460 -6.085 123 H LYS 15 H LYS 15 -10.325 1.515 -1.255 124 HA LYS 15 HA LYS 15 -12.758 2.598 -2.505 125 HB2 LYS 15 2HB LYS 15 -12.458 1.601 0.148 126 HB3 LYS 15 1HB LYS 15 -12.688 3.340 0.244 127 HG2 LYS 15 2HG LYS 15 -14.495 1.509 -1.315 128 HG3 LYS 15 1HG LYS 15 -14.780 1.975 0.362 129 HD2 LYS 15 2HD LYS 15 -14.289 4.135 -1.618 130 HD3 LYS 15 1HD LYS 15 -15.849 3.310 -1.669 131 HE2 LYS 15 2HE LYS 15 -14.726 4.386 0.898 132 HE3 LYS 15 1HE LYS 15 -15.624 5.421 -0.213 133 HZ1 LYS 15 3HZ LYS 15 -16.653 2.899 0.971 134 HZ2 LYS 15 1HZ LYS 15 -17.517 3.961 -0.020 135 HZ3 LYS 15 2HZ LYS 15 -17.031 4.453 1.524 136 H GLY 16 H GLY 16 -11.909 4.261 -3.609 137 HA2 GLY 16 2HA GLY 16 -10.448 6.286 -2.029 138 HA3 GLY 16 1HA GLY 16 -9.964 5.875 -3.667 139 H THR 17 H THR 17 -13.294 6.066 -2.680 140 HA THR 17 HA THR 17 -13.568 8.546 -4.231 141 HB THR 17 HB THR 17 -14.491 6.715 -5.531 142 HG1 THR 17 HG1 THR 17 -15.650 8.720 -5.525 143 HG21 THR 17 3HG2 THR 17 -14.933 5.141 -3.702 144 HG22 THR 17 1HG2 THR 17 -16.351 5.353 -4.733 145 HG23 THR 17 2HG2 THR 17 -16.273 6.150 -3.162 146 H LYS 18 H LYS 18 -14.838 10.129 -3.398 147 HA LYS 18 HA LYS 18 -15.843 11.408 -1.817 148 HB2 LYS 18 2HB LYS 18 -17.247 8.791 -1.255 149 HB3 LYS 18 1HB LYS 18 -17.737 10.340 -0.579 150 HG2 LYS 18 2HG LYS 18 -18.775 10.944 -2.449 151 HG3 LYS 18 1HG LYS 18 -17.428 10.430 -3.463 152 HD2 LYS 18 2HD LYS 18 -18.226 8.057 -3.102 153 HD3 LYS 18 1HD LYS 18 -19.684 8.756 -2.392 154 HE2 LYS 18 2HE LYS 18 -20.188 9.908 -4.450 155 HE3 LYS 18 1HE LYS 18 -18.672 9.368 -5.169 156 HZ1 LYS 18 3HZ LYS 18 -20.519 8.034 -5.932 157 HZ2 LYS 18 1HZ LYS 18 -20.927 7.620 -4.346 158 HZ3 LYS 18 2HZ LYS 18 -19.470 7.084 -5.012 159 H ASN 19 H ASN 19 -13.340 10.262 -1.123 160 HA ASN 19 HA ASN 19 -13.175 10.908 1.604 161 HB2 ASN 19 2HB ASN 19 -14.238 8.483 1.527 162 HB3 ASN 19 1HB ASN 19 -12.573 7.991 1.236 163 HD21 ASN 19 1HD2 ASN 19 -14.842 9.191 3.525 164 HD22 ASN 19 2HD2 ASN 19 -13.808 9.125 4.905 165 H GLY 20 H GLY 20 -10.959 8.761 1.831 166 HA2 GLY 20 2HA GLY 20 -8.990 10.303 0.285 167 HA3 GLY 20 1HA GLY 20 -8.646 9.368 1.736 168 H LEU 21 H LEU 21 -8.081 7.273 1.568 169 HA LEU 21 HA LEU 21 -8.556 5.756 -0.817 170 HB2 LEU 21 2HB LEU 21 -6.663 7.125 -1.540 171 HB3 LEU 21 1HB LEU 21 -5.745 6.612 -0.139 172 HG LEU 21 HG LEU 21 -5.766 4.301 -0.983 173 HD11 LEU 21 1HD1 LEU 21 -7.810 4.339 -2.273 174 HD12 LEU 21 2HD1 LEU 21 -6.453 3.888 -3.309 175 HD13 LEU 21 3HD1 LEU 21 -7.116 5.520 -3.384 176 HD21 LEU 21 3HD2 LEU 21 -3.925 5.869 -1.485 177 HD22 LEU 21 1HD2 LEU 21 -4.729 6.279 -3.000 178 HD23 LEU 21 2HD2 LEU 21 -4.150 4.636 -2.724 179 H THR 22 H THR 22 -9.408 4.163 0.423 180 HA THR 22 HA THR 22 -7.649 2.928 2.439 181 HB THR 22 HB THR 22 -10.621 2.466 2.208 182 HG1 THR 22 HG1 THR 22 -9.422 4.752 2.885 183 HG21 THR 22 3HG2 THR 22 -9.358 0.856 3.545 184 HG22 THR 22 1HG2 THR 22 -10.395 1.843 4.576 185 HG23 THR 22 2HG2 THR 22 -8.665 2.172 4.493 186 H LEU 23 H LEU 23 -6.659 1.169 1.685 187 HA LEU 23 HA LEU 23 -8.182 -0.669 -0.020 188 HB2 LEU 23 2HB LEU 23 -6.165 -1.091 -1.377 189 HB3 LEU 23 1HB LEU 23 -6.775 0.543 -1.549 190 HG LEU 23 HG LEU 23 -4.569 0.038 0.403 191 HD11 LEU 23 1HD1 LEU 23 -3.703 -1.101 -1.487 192 HD12 LEU 23 2HD1 LEU 23 -2.971 0.502 -1.488 193 HD13 LEU 23 3HD1 LEU 23 -4.296 0.143 -2.590 194 HD21 LEU 23 3HD2 LEU 23 -3.926 2.298 -0.272 195 HD22 LEU 23 1HD2 LEU 23 -5.600 2.250 0.284 196 HD23 LEU 23 2HD2 LEU 23 -5.242 2.328 -1.442 197 H HIS 24 H HIS 24 -7.596 -2.847 0.143 198 HA HIS 24 HA HIS 24 -5.534 -3.682 1.969 199 HB2 HIS 24 2HB HIS 24 -7.209 -3.107 3.614 200 HB3 HIS 24 1HB HIS 24 -8.456 -3.959 2.717 201 HD1 HIS 24 HD1 HIS 24 -9.036 -5.465 4.710 202 HD2 HIS 24 HD2 HIS 24 -5.079 -5.776 3.487 203 HE1 HIS 24 HE1 HIS 24 -8.139 -7.514 5.843 204 H LEU 25 H LEU 25 -4.745 -5.516 1.246 205 HA LEU 25 HA LEU 25 -6.486 -7.376 -0.231 206 HB2 LEU 25 2HB LEU 25 -5.123 -6.349 -1.891 207 HB3 LEU 25 1HB LEU 25 -3.693 -6.440 -0.881 208 HG LEU 25 HG LEU 25 -3.808 -8.949 -1.111 209 HD11 LEU 25 1HD1 LEU 25 -5.771 -8.294 -3.300 210 HD12 LEU 25 2HD1 LEU 25 -6.178 -9.069 -1.770 211 HD13 LEU 25 3HD1 LEU 25 -5.114 -9.884 -2.915 212 HD21 LEU 25 3HD2 LEU 25 -3.464 -7.332 -3.633 213 HD22 LEU 25 1HD2 LEU 25 -2.828 -8.953 -3.350 214 HD23 LEU 25 2HD2 LEU 25 -2.239 -7.595 -2.392 215 H ASP 26 H ASP 26 -6.387 -9.448 0.477 216 HA ASP 26 HA ASP 26 -4.335 -10.077 2.498 217 HB2 ASP 26 2HB ASP 26 -7.224 -10.815 2.281 218 HB3 ASP 26 1HB ASP 26 -6.130 -11.943 3.065 219 H ASP 27 H ASP 27 -2.891 -10.729 0.806 220 HA ASP 27 HA ASP 27 -3.210 -13.534 0.144 221 HB2 ASP 27 2HB ASP 27 -4.195 -12.312 -1.815 222 HB3 ASP 27 1HB ASP 27 -2.629 -11.542 -2.058 223 H ALA 28 H ALA 28 -1.341 -14.506 0.570 224 HA ALA 28 HA ALA 28 0.996 -12.869 1.103 225 HB1 ALA 28 1HB ALA 28 0.296 -14.585 2.711 226 HB2 ALA 28 2HB ALA 28 0.603 -15.832 1.502 227 HB3 ALA 28 3HB ALA 28 1.935 -14.855 2.119 228 H CYS 29 H CYS 29 2.933 -12.979 0.160 229 HA CYS 29 HA CYS 29 4.457 -13.152 -1.494 230 HB2 CYS 29 2HB CYS 29 3.328 -15.946 -1.714 231 HB3 CYS 29 1HB CYS 29 4.866 -15.409 -2.382 232 HG CYS 29 HG CYS 29 6.112 -14.995 0.020 233 H SER 30 H SER 30 2.869 -11.600 -2.592 234 HA SER 30 HA SER 30 2.492 -12.579 -5.312 235 HB2 SER 30 2HB SER 30 0.239 -11.018 -4.965 236 HB3 SER 30 1HB SER 30 0.266 -12.780 -4.994 237 HG SER 30 HG SER 30 -0.635 -12.427 -3.087 238 H PHE 31 H PHE 31 1.787 -10.668 -6.757 239 HA PHE 31 HA PHE 31 3.281 -8.286 -5.897 240 HB2 PHE 31 2HB PHE 31 3.291 -7.897 -8.519 241 HB3 PHE 31 1HB PHE 31 4.503 -8.902 -7.739 242 HD1 PHE 31 HD2 PHE 31 1.563 -8.869 -9.911 243 HD2 PHE 31 HD1 PHE 31 4.520 -11.295 -8.055 244 HE1 PHE 31 HE2 PHE 31 0.973 -10.724 -11.409 245 HE2 PHE 31 HE1 PHE 31 3.942 -13.155 -9.557 246 HZ PHE 31 HZ PHE 31 2.163 -12.870 -11.235 247 H ASP 32 H ASP 32 1.784 -6.991 -5.081 248 HA ASP 32 HA ASP 32 -0.836 -6.740 -6.249 249 HB2 ASP 32 2HB ASP 32 -1.184 -5.062 -4.449 250 HB3 ASP 32 1HB ASP 32 -0.645 -6.627 -3.854 251 H GLU 33 H GLU 33 0.989 -6.098 -8.152 252 HA GLU 33 HA GLU 33 1.736 -3.420 -8.377 253 HB2 GLU 33 2HB GLU 33 1.816 -3.852 -10.825 254 HB3 GLU 33 1HB GLU 33 2.666 -5.053 -9.867 255 HG2 GLU 33 2HG GLU 33 0.886 -6.626 -10.141 256 HG3 GLU 33 1HG GLU 33 -0.121 -5.417 -10.936 257 H LEU 34 H LEU 34 -1.306 -5.006 -9.163 258 HA LEU 34 HA LEU 34 -2.461 -2.781 -10.498 259 HB2 LEU 34 2HB LEU 34 -3.604 -5.253 -9.227 260 HB3 LEU 34 1HB LEU 34 -4.635 -4.021 -9.930 261 HG LEU 34 HG LEU 34 -2.525 -5.591 -11.418 262 HD11 LEU 34 1HD1 LEU 34 -4.441 -6.638 -12.543 263 HD12 LEU 34 2HD1 LEU 34 -5.533 -5.792 -11.448 264 HD13 LEU 34 3HD1 LEU 34 -4.407 -6.992 -10.818 265 HD21 LEU 34 3HD2 LEU 34 -2.672 -3.532 -12.511 266 HD22 LEU 34 1HD2 LEU 34 -4.406 -3.396 -12.220 267 HD23 LEU 34 2HD2 LEU 34 -3.798 -4.562 -13.393 268 H LEU 35 H LEU 35 -2.262 -3.816 -7.175 269 HA LEU 35 HA LEU 35 -4.223 -2.024 -6.150 270 HB2 LEU 35 2HB LEU 35 -3.123 -4.183 -5.116 271 HB3 LEU 35 1HB LEU 35 -1.940 -3.042 -4.512 272 HG LEU 35 HG LEU 35 -3.799 -1.790 -3.409 273 HD11 LEU 35 1HD1 LEU 35 -5.923 -3.024 -3.082 274 HD12 LEU 35 2HD1 LEU 35 -5.399 -4.176 -4.311 275 HD13 LEU 35 3HD1 LEU 35 -5.666 -2.486 -4.740 276 HD21 LEU 35 3HD2 LEU 35 -2.402 -3.367 -2.176 277 HD22 LEU 35 1HD2 LEU 35 -3.493 -4.681 -2.620 278 HD23 LEU 35 2HD2 LEU 35 -4.062 -3.377 -1.582 279 H ASP 36 H ASP 36 -0.686 -2.033 -6.289 280 HA ASP 36 HA ASP 36 -0.260 0.495 -5.138 281 HB2 ASP 36 2HB ASP 36 1.621 -0.927 -5.269 282 HB3 ASP 36 1HB ASP 36 1.375 -1.239 -6.982 283 H GLY 37 H GLY 37 -0.771 -0.507 -8.492 284 HA2 GLY 37 2HA GLY 37 -0.259 1.944 -9.752 285 HA3 GLY 37 1HA GLY 37 -1.330 0.694 -10.370 286 H LEU 38 H LEU 38 -3.323 0.620 -8.524 287 HA LEU 38 HA LEU 38 -4.890 2.862 -9.232 288 HB2 LEU 38 2HB LEU 38 -5.233 0.397 -7.701 289 HB3 LEU 38 1HB LEU 38 -6.141 1.736 -7.028 290 HG LEU 38 HG LEU 38 -7.500 0.409 -8.570 291 HD11 LEU 38 1HD1 LEU 38 -8.211 2.278 -10.068 292 HD12 LEU 38 2HD1 LEU 38 -6.831 3.199 -9.475 293 HD13 LEU 38 3HD1 LEU 38 -8.102 2.701 -8.360 294 HD21 LEU 38 3HD2 LEU 38 -7.013 0.390 -10.960 295 HD22 LEU 38 1HD2 LEU 38 -5.723 -0.386 -10.041 296 HD23 LEU 38 2HD2 LEU 38 -5.502 1.250 -10.664 297 H GLN 39 H GLN 39 -3.052 1.996 -6.374 298 HA GLN 39 HA GLN 39 -3.920 3.970 -4.608 299 HB2 GLN 39 2HB GLN 39 -2.503 2.085 -3.937 300 HB3 GLN 39 1HB GLN 39 -1.172 2.731 -4.884 301 HG2 GLN 39 2HG GLN 39 -2.259 4.576 -2.888 302 HG3 GLN 39 1HG GLN 39 -1.530 3.117 -2.226 303 HE21 GLN 39 1HE2 GLN 39 0.438 2.801 -4.290 304 HE22 GLN 39 2HE2 GLN 39 1.596 4.064 -4.088 305 H ASN 40 H ASN 40 -1.267 4.035 -6.954 306 HA ASN 40 HA ASN 40 -0.455 6.696 -6.392 307 HB2 ASN 40 2HB ASN 40 0.046 4.778 -8.653 308 HB3 ASN 40 1HB ASN 40 0.565 6.453 -8.787 309 HD21 ASN 40 1HD2 ASN 40 1.045 3.421 -7.171 310 HD22 ASN 40 2HD2 ASN 40 2.552 3.826 -6.434 311 H MET 41 H MET 41 -2.516 5.255 -8.881 312 HA MET 41 HA MET 41 -3.054 7.536 -10.386 313 HB2 MET 41 2HB MET 41 -3.632 5.261 -11.098 314 HB3 MET 41 1HB MET 41 -4.869 5.177 -9.855 315 HG2 MET 41 2HG MET 41 -5.820 7.295 -11.036 316 HG3 MET 41 1HG MET 41 -4.853 6.736 -12.400 317 HE1 MET 41 3HE MET 41 -6.905 6.467 -13.981 318 HE2 MET 41 1HE MET 41 -7.952 7.110 -12.715 319 HE3 MET 41 2HE MET 41 -8.386 5.616 -13.546 320 H LEU 42 H LEU 42 -5.046 6.148 -7.772 321 HA LEU 42 HA LEU 42 -6.991 8.174 -7.802 322 HB2 LEU 42 2HB LEU 42 -6.163 6.168 -5.727 323 HB3 LEU 42 1HB LEU 42 -7.448 7.327 -5.425 324 HG LEU 42 HG LEU 42 -7.509 5.499 -7.813 325 HD11 LEU 42 1HD1 LEU 42 -8.946 4.003 -6.495 326 HD12 LEU 42 2HD1 LEU 42 -8.575 4.943 -5.051 327 HD13 LEU 42 3HD1 LEU 42 -7.294 4.061 -5.882 328 HD21 LEU 42 3HD2 LEU 42 -9.671 6.920 -6.261 329 HD22 LEU 42 1HD2 LEU 42 -9.909 5.912 -7.688 330 HD23 LEU 42 2HD2 LEU 42 -9.017 7.427 -7.819 331 H SER 43 H SER 43 -3.976 7.902 -5.989 332 HA SER 43 HA SER 43 -4.398 10.011 -4.194 333 HB2 SER 43 2HB SER 43 -2.523 8.230 -4.241 334 HB3 SER 43 1HB SER 43 -1.685 9.344 -5.321 335 HG SER 43 HG SER 43 -1.627 9.398 -2.747 336 H ILE 44 H ILE 44 -3.239 9.989 -7.518 337 HA ILE 44 HA ILE 44 -2.570 12.801 -7.480 338 HB ILE 44 HB ILE 44 -2.769 10.907 -9.832 339 HG12 ILE 44 2HG1 ILE 44 -0.312 11.851 -8.346 340 HG13 ILE 44 1HG1 ILE 44 -1.078 10.290 -8.081 341 HG21 ILE 44 1HG2 ILE 44 -2.949 13.223 -10.537 342 HG22 ILE 44 2HG2 ILE 44 -1.379 12.569 -11.006 343 HG23 ILE 44 3HG2 ILE 44 -1.508 13.641 -9.611 344 HD11 ILE 44 3HD1 ILE 44 0.850 10.070 -9.527 345 HD12 ILE 44 1HD1 ILE 44 0.163 11.241 -10.654 346 HD13 ILE 44 2HD1 ILE 44 -0.629 9.684 -10.408 347 H GLU 45 H GLU 45 -5.216 10.766 -8.570 348 HA GLU 45 HA GLU 45 -6.589 12.648 -10.130 349 HB2 GLU 45 2HB GLU 45 -7.513 10.211 -8.626 350 HB3 GLU 45 1HB GLU 45 -8.612 11.184 -9.590 351 HG2 GLU 45 2HG GLU 45 -6.096 10.064 -10.761 352 HG3 GLU 45 1HG GLU 45 -7.569 9.104 -10.650 353 H GLN 46 H GLN 46 -7.583 11.566 -6.857 354 HA GLN 46 HA GLN 46 -8.085 14.280 -6.053 355 HB2 GLN 46 2HB GLN 46 -10.116 14.221 -7.155 356 HB3 GLN 46 1HB GLN 46 -10.309 12.489 -6.926 357 HG2 GLN 46 2HG GLN 46 -10.346 13.779 -4.382 358 HG3 GLN 46 1HG GLN 46 -11.477 14.589 -5.469 359 HE21 GLN 46 1HE2 GLN 46 -10.561 11.442 -4.150 360 HE22 GLN 46 2HE2 GLN 46 -12.127 10.727 -4.306 361 H TYR 47 H TYR 47 -7.808 14.462 -3.953 362 HA TYR 47 HA TYR 47 -8.342 12.154 -2.222 363 HB2 TYR 47 2HB TYR 47 -6.293 12.513 -0.990 364 HB3 TYR 47 1HB TYR 47 -5.889 12.331 -2.693 365 HD1 TYR 47 HD1 TYR 47 -5.441 14.471 -4.042 366 HD2 TYR 47 HD2 TYR 47 -5.597 14.395 0.212 367 HE1 TYR 47 HE1 TYR 47 -4.199 16.591 -3.961 368 HE2 TYR 47 HE2 TYR 47 -4.361 16.518 0.300 369 HH TYR 47 HH TYR 47 -2.642 17.713 -1.389 370 H THR 48 H THR 48 -9.439 14.940 -2.990 371 HA THR 48 HA THR 48 -9.424 16.324 -0.449 372 HB THR 48 HB THR 48 -11.220 17.640 -2.075 373 HG1 THR 48 HG1 THR 48 -9.333 17.429 -3.968 374 HG21 THR 48 3HG2 THR 48 -9.362 19.203 -2.493 375 HG22 THR 48 1HG2 THR 48 -8.220 17.983 -1.932 376 HG23 THR 48 2HG2 THR 48 -9.397 18.671 -0.812 377 H ASP 49 H ASP 49 -10.554 14.835 0.879 378 HA ASP 49 HA ASP 49 -13.148 13.874 0.252 379 HB2 ASP 49 2HB ASP 49 -12.018 12.630 1.900 380 HB3 ASP 49 1HB ASP 49 -11.573 14.073 2.809 381 H GLY 50 H GLY 50 -12.121 16.371 2.604 382 HA2 GLY 50 2HA GLY 50 -13.401 18.536 2.253 383 HA3 GLY 50 1HA GLY 50 -14.825 17.518 2.362 384 H LYS 51 H LYS 51 -13.829 15.812 4.459 385 HA LYS 51 HA LYS 51 -13.538 17.700 6.693 386 HB2 LYS 51 2HB LYS 51 -15.261 16.506 7.978 387 HB3 LYS 51 1HB LYS 51 -15.925 17.231 6.522 388 HG2 LYS 51 2HG LYS 51 -15.051 14.393 6.396 389 HG3 LYS 51 1HG LYS 51 -16.537 14.772 7.270 390 HD2 LYS 51 2HD LYS 51 -16.046 15.783 4.481 391 HD3 LYS 51 1HD LYS 51 -16.723 14.182 4.780 392 HE2 LYS 51 2HE LYS 51 -18.537 15.217 6.080 393 HE3 LYS 51 1HE LYS 51 -17.869 16.808 5.713 394 HZ1 LYS 51 3HZ LYS 51 -18.167 16.247 3.322 395 HZ2 LYS 51 1HZ LYS 51 -19.612 16.379 4.187 396 HZ3 LYS 51 2HZ LYS 51 -19.004 14.856 3.793 397 H GLY 52 H GLY 52 -11.721 15.846 5.359 398 HA2 GLY 52 2HA GLY 52 -9.848 14.886 6.575 399 HA3 GLY 52 1HA GLY 52 -11.009 14.226 7.721 400 H GLN 53 H GLN 53 -9.055 13.509 5.169 401 HA GLN 53 HA GLN 53 -10.744 11.299 4.227 402 HB2 GLN 53 2HB GLN 53 -9.228 11.174 2.307 403 HB3 GLN 53 1HB GLN 53 -9.906 12.784 2.477 404 HG2 GLN 53 2HG GLN 53 -7.217 12.105 3.598 405 HG3 GLN 53 1HG GLN 53 -7.422 12.551 1.906 406 HE21 GLN 53 1HE2 GLN 53 -7.909 14.654 1.375 407 HE22 GLN 53 2HE2 GLN 53 -7.825 15.954 2.523 408 H LYS 54 H LYS 54 -9.986 9.198 4.168 409 HA LYS 54 HA LYS 54 -7.803 8.629 6.047 410 HB2 LYS 54 2HB LYS 54 -10.251 7.116 5.194 411 HB3 LYS 54 1HB LYS 54 -8.885 6.267 5.902 412 HG2 LYS 54 2HG LYS 54 -9.851 8.627 7.378 413 HG3 LYS 54 1HG LYS 54 -10.931 7.232 7.328 414 HD2 LYS 54 2HD LYS 54 -8.779 5.899 7.963 415 HD3 LYS 54 1HD LYS 54 -8.193 7.472 8.508 416 HE2 LYS 54 2HE LYS 54 -9.208 6.292 10.356 417 HE3 LYS 54 1HE LYS 54 -10.189 7.694 9.930 418 HZ1 LYS 54 3HZ LYS 54 -10.737 4.859 9.239 419 HZ2 LYS 54 1HZ LYS 54 -11.624 6.165 8.637 420 HZ3 LYS 54 2HZ LYS 54 -11.620 5.841 10.294 421 H ILE 55 H ILE 55 -5.937 8.456 4.953 422 HA ILE 55 HA ILE 55 -5.911 6.905 2.448 423 HB ILE 55 HB ILE 55 -3.613 8.523 3.555 424 HG12 ILE 55 2HG1 ILE 55 -5.720 9.446 1.581 425 HG13 ILE 55 1HG1 ILE 55 -5.606 9.983 3.254 426 HG21 ILE 55 1HG2 ILE 55 -3.145 6.816 1.818 427 HG22 ILE 55 2HG2 ILE 55 -2.782 8.461 1.294 428 HG23 ILE 55 3HG2 ILE 55 -4.253 7.662 0.738 429 HD11 ILE 55 3HD1 ILE 55 -4.680 11.629 1.747 430 HD12 ILE 55 1HD1 ILE 55 -3.556 10.434 1.101 431 HD13 ILE 55 2HD1 ILE 55 -3.416 10.957 2.779 432 H SER 56 H SER 56 -6.302 5.077 4.010 433 HA SER 56 HA SER 56 -3.889 4.222 5.418 434 HB2 SER 56 2HB SER 56 -6.656 3.007 5.484 435 HB3 SER 56 1HB SER 56 -5.313 2.641 6.569 436 HG SER 56 HG SER 56 -5.745 5.280 6.569 437 H VAL 57 H VAL 57 -2.540 3.344 3.946 438 HA VAL 57 HA VAL 57 -3.513 1.469 1.956 439 HB VAL 57 HB VAL 57 -0.638 2.176 2.567 440 HG11 VAL 57 1HG1 VAL 57 -0.227 1.479 0.270 441 HG12 VAL 57 2HG1 VAL 57 -1.940 1.126 0.059 442 HG13 VAL 57 3HG1 VAL 57 -0.979 0.177 1.192 443 HG21 VAL 57 3HG2 VAL 57 -0.806 3.819 0.726 444 HG22 VAL 57 1HG2 VAL 57 -1.799 4.247 2.118 445 HG23 VAL 57 2HG2 VAL 57 -2.549 3.554 0.680 446 H HIS 58 H HIS 58 -4.245 -0.288 3.154 447 HA HIS 58 HA HIS 58 -2.339 -1.549 4.977 448 HB2 HIS 58 2HB HIS 58 -5.301 -1.883 4.558 449 HB3 HIS 58 1HB HIS 58 -4.367 -3.069 5.461 450 HD1 HIS 58 HD1 HIS 58 -4.676 -2.695 7.876 451 HD2 HIS 58 HD2 HIS 58 -4.528 0.885 5.774 452 HE1 HIS 58 HE1 HIS 58 -4.897 -0.884 9.607 453 H VAL 59 H VAL 59 -0.938 -2.312 3.314 454 HA VAL 59 HA VAL 59 -1.980 -4.292 1.465 455 HB VAL 59 HB VAL 59 0.631 -4.509 1.025 456 HG11 VAL 59 1HG1 VAL 59 -1.012 -3.771 -0.605 457 HG12 VAL 59 2HG1 VAL 59 0.425 -2.751 -0.672 458 HG13 VAL 59 3HG1 VAL 59 -1.038 -2.165 0.124 459 HG21 VAL 59 3HG2 VAL 59 0.406 -1.716 2.143 460 HG22 VAL 59 1HG2 VAL 59 1.824 -2.433 1.376 461 HG23 VAL 59 2HG2 VAL 59 1.248 -3.054 2.924 462 H LYS 60 H LYS 60 -2.731 -5.612 3.261 463 HA LYS 60 HA LYS 60 -0.803 -6.955 4.918 464 HB2 LYS 60 2HB LYS 60 -3.745 -6.903 4.645 465 HB3 LYS 60 1HB LYS 60 -3.060 -8.411 5.227 466 HG2 LYS 60 2HG LYS 60 -1.744 -6.611 6.768 467 HG3 LYS 60 1HG LYS 60 -3.306 -5.816 6.551 468 HD2 LYS 60 2HD LYS 60 -3.490 -7.161 8.496 469 HD3 LYS 60 1HD LYS 60 -4.377 -7.995 7.220 470 HE2 LYS 60 2HE LYS 60 -2.235 -9.311 6.811 471 HE3 LYS 60 1HE LYS 60 -1.664 -8.650 8.340 472 HZ1 LYS 60 3HZ LYS 60 -3.731 -9.597 9.347 473 HZ2 LYS 60 1HZ LYS 60 -2.604 -10.734 8.803 474 HZ3 LYS 60 2HZ LYS 60 -3.991 -10.419 7.891 475 H LEU 61 H LEU 61 0.247 -7.513 2.646 476 HA LEU 61 HA LEU 61 -0.890 -9.856 1.411 477 HB2 LEU 61 2HB LEU 61 1.579 -8.227 0.974 478 HB3 LEU 61 1HB LEU 61 1.474 -9.832 0.276 479 HG LEU 61 HG LEU 61 -0.828 -8.936 -0.648 480 HD11 LEU 61 1HD1 LEU 61 -0.744 -6.799 0.521 481 HD12 LEU 61 2HD1 LEU 61 -0.728 -6.575 -1.228 482 HD13 LEU 61 3HD1 LEU 61 0.762 -6.398 -0.305 483 HD21 LEU 61 3HD2 LEU 61 1.865 -8.223 -1.791 484 HD22 LEU 61 1HD2 LEU 61 0.346 -8.206 -2.688 485 HD23 LEU 61 2HD2 LEU 61 0.971 -9.723 -2.042 486 H GLY 62 H GLY 62 2.450 -9.484 2.570 487 HA2 GLY 62 2HA GLY 62 3.118 -10.791 4.564 488 HA3 GLY 62 1HA GLY 62 2.108 -12.081 3.925 489 H ASN 63 H ASN 63 5.131 -10.452 3.747 490 HA ASN 63 HA ASN 63 7.135 -10.980 2.842 491 HB2 ASN 63 2HB ASN 63 5.861 -13.710 2.586 492 HB3 ASN 63 1HB ASN 63 7.555 -13.387 2.233 493 HD21 ASN 63 1HD2 ASN 63 6.337 -15.114 4.247 494 HD22 ASN 63 2HD2 ASN 63 6.963 -14.584 5.765 495 H ARG 64 H ARG 64 5.511 -9.603 1.253 496 HA ARG 64 HA ARG 64 5.294 -10.845 -1.359 497 HB2 ARG 64 2HB ARG 64 4.346 -8.689 -2.069 498 HB3 ARG 64 1HB ARG 64 3.538 -9.307 -0.637 499 HG2 ARG 64 2HG ARG 64 4.761 -7.758 0.765 500 HG3 ARG 64 1HG ARG 64 5.676 -7.185 -0.630 501 HD2 ARG 64 2HD ARG 64 3.589 -6.385 -1.650 502 HD3 ARG 64 1HD ARG 64 2.698 -6.928 -0.227 503 HE ARG 64 HE ARG 64 4.385 -5.303 0.945 504 HH11 ARG 64 1HH1 ARG 64 2.633 -4.805 -2.063 505 HH12 ARG 64 2HH1 ARG 64 2.710 -3.075 -1.946 506 HH21 ARG 64 1HH2 ARG 64 4.452 -3.053 1.104 507 HH22 ARG 64 2HH2 ARG 64 3.799 -2.060 -0.179 508 H PHE 65 H PHE 65 7.362 -8.616 0.351 509 HA PHE 65 HA PHE 65 9.308 -7.563 -0.178 510 HB2 PHE 65 2HB PHE 65 9.759 -10.126 -0.559 511 HB3 PHE 65 1HB PHE 65 9.853 -9.659 -2.252 512 HD1 PHE 65 HD1 PHE 65 11.210 -8.609 1.063 513 HD2 PHE 65 HD2 PHE 65 11.904 -9.087 -3.110 514 HE1 PHE 65 HE1 PHE 65 13.556 -7.938 1.379 515 HE2 PHE 65 HE2 PHE 65 14.252 -8.414 -2.799 516 HZ PHE 65 HZ PHE 65 15.082 -7.839 -0.550 517 H LEU 66 H LEU 66 7.591 -6.070 -1.249 518 HA LEU 66 HA LEU 66 7.834 -5.940 -4.140 519 HB2 LEU 66 2HB LEU 66 5.803 -5.296 -2.385 520 HB3 LEU 66 1HB LEU 66 6.440 -3.728 -2.842 521 HG LEU 66 HG LEU 66 6.216 -4.604 -5.273 522 HD11 LEU 66 1HD1 LEU 66 5.742 -6.935 -4.602 523 HD12 LEU 66 2HD1 LEU 66 4.491 -6.239 -5.633 524 HD13 LEU 66 3HD1 LEU 66 4.219 -6.390 -3.897 525 HD21 LEU 66 3HD2 LEU 66 3.818 -3.907 -3.592 526 HD22 LEU 66 1HD2 LEU 66 3.880 -3.833 -5.352 527 HD23 LEU 66 2HD2 LEU 66 4.911 -2.776 -4.387 528 H TYR 67 H TYR 67 7.716 -3.269 -4.646 529 HA TYR 67 HA TYR 67 10.456 -2.493 -4.124 530 HB2 TYR 67 2HB TYR 67 9.644 -0.515 -5.690 531 HB3 TYR 67 1HB TYR 67 10.054 -2.094 -6.342 532 HD1 TYR 67 HD1 TYR 67 7.045 -0.339 -4.944 533 HD2 TYR 67 HD2 TYR 67 8.599 -2.982 -7.898 534 HE1 TYR 67 HE1 TYR 67 4.825 -0.476 -5.978 535 HE2 TYR 67 HE2 TYR 67 6.374 -3.126 -8.940 536 HH TYR 67 HH TYR 67 3.758 -1.031 -7.970 537 H LYS 68 H LYS 68 10.209 -2.036 -1.871 538 HA LYS 68 HA LYS 68 8.423 -0.163 -0.805 539 HB2 LYS 68 2HB LYS 68 10.698 -1.654 0.120 540 HB3 LYS 68 1HB LYS 68 10.798 0.001 0.705 541 HG2 LYS 68 2HG LYS 68 8.400 -1.785 1.029 542 HG3 LYS 68 1HG LYS 68 9.639 -1.527 2.261 543 HD2 LYS 68 2HD LYS 68 8.807 0.478 2.837 544 HD3 LYS 68 1HD LYS 68 8.528 0.950 1.161 545 HE2 LYS 68 2HE LYS 68 6.464 0.757 2.583 546 HE3 LYS 68 1HE LYS 68 6.447 -0.189 1.095 547 HZ1 LYS 68 3HZ LYS 68 5.620 -1.373 3.117 548 HZ2 LYS 68 1HZ LYS 68 7.198 -1.318 3.732 549 HZ3 LYS 68 2HZ LYS 68 6.877 -2.160 2.303 550 H GLU 69 H GLU 69 11.492 0.236 -2.414 551 HA GLU 69 HA GLU 69 12.078 2.866 -1.695 552 HB2 GLU 69 2HB GLU 69 13.536 1.239 -2.973 553 HB3 GLU 69 1HB GLU 69 12.590 1.627 -4.401 554 HG2 GLU 69 2HG GLU 69 14.595 2.901 -4.455 555 HG3 GLU 69 1HG GLU 69 13.254 3.999 -4.127 556 H GLN 70 H GLN 70 10.070 1.582 -4.316 557 HA GLN 70 HA GLN 70 9.469 4.084 -5.505 558 HB2 GLN 70 2HB GLN 70 8.202 1.361 -5.638 559 HB3 GLN 70 1HB GLN 70 7.445 2.747 -6.410 560 HG2 GLN 70 2HG GLN 70 9.532 3.116 -7.686 561 HG3 GLN 70 1HG GLN 70 10.174 1.627 -6.991 562 HE21 GLN 70 1HE2 GLN 70 6.814 2.031 -7.868 563 HE22 GLN 70 2HE2 GLN 70 6.838 0.947 -9.217 564 H GLU 71 H GLU 71 7.863 2.105 -3.061 565 HA GLU 71 HA GLU 71 5.518 3.643 -2.820 566 HB2 GLU 71 2HB GLU 71 6.898 1.981 -0.700 567 HB3 GLU 71 1HB GLU 71 5.224 2.519 -0.660 568 HG2 GLU 71 2HG GLU 71 4.662 1.124 -2.519 569 HG3 GLU 71 1HG GLU 71 6.356 0.716 -2.786 570 H GLU 72 H GLU 72 8.543 3.692 -0.962 571 HA GLU 72 HA GLU 72 7.800 5.746 0.807 572 HB2 GLU 72 2HB GLU 72 10.500 4.750 -0.080 573 HB3 GLU 72 1HB GLU 72 10.281 5.946 1.189 574 HG2 GLU 72 2HG GLU 72 9.144 3.157 1.219 575 HG3 GLU 72 1HG GLU 72 10.595 3.678 2.072 576 H GLN 73 H GLN 73 9.612 5.930 -2.278 577 HA GLN 73 HA GLN 73 10.228 8.649 -2.074 578 HB2 GLN 73 2HB GLN 73 10.655 8.632 -4.462 579 HB3 GLN 73 1HB GLN 73 11.310 7.190 -3.705 580 HG2 GLN 73 2HG GLN 73 10.378 6.207 -5.498 581 HG3 GLN 73 1HG GLN 73 8.947 6.215 -4.468 582 HE21 GLN 73 1HE2 GLN 73 7.483 6.272 -6.128 583 HE22 GLN 73 2HE2 GLN 73 7.273 7.646 -7.158 584 H LEU 74 H LEU 74 7.296 7.099 -3.336 585 HA LEU 74 HA LEU 74 6.226 9.599 -4.270 586 HB2 LEU 74 2HB LEU 74 4.379 8.418 -5.024 587 HB3 LEU 74 1HB LEU 74 5.663 7.232 -5.135 588 HG LEU 74 HG LEU 74 4.672 6.705 -2.648 589 HD11 LEU 74 1HD1 LEU 74 2.847 8.303 -2.907 590 HD12 LEU 74 2HD1 LEU 74 2.235 6.651 -2.841 591 HD13 LEU 74 3HD1 LEU 74 2.336 7.494 -4.388 592 HD21 LEU 74 3HD2 LEU 74 5.191 5.086 -4.402 593 HD22 LEU 74 1HD2 LEU 74 3.729 5.554 -5.271 594 HD23 LEU 74 2HD2 LEU 74 3.607 4.777 -3.692 595 H THR 75 H THR 75 6.012 7.673 -1.356 596 HA THR 75 HA THR 75 3.850 9.075 -0.181 597 HB THR 75 HB THR 75 6.056 7.549 1.223 598 HG1 THR 75 HG1 THR 75 4.999 6.192 -0.250 599 HG21 THR 75 3HG2 THR 75 4.645 9.031 2.665 600 HG22 THR 75 1HG2 THR 75 4.512 7.315 3.051 601 HG23 THR 75 2HG2 THR 75 3.233 8.114 2.137 602 H GLU 76 H GLU 76 7.315 9.612 -0.290 603 HA GLU 76 HA GLU 76 7.596 11.412 1.821 604 HB2 GLU 76 2HB GLU 76 9.411 10.335 0.381 605 HB3 GLU 76 1HB GLU 76 9.116 11.633 -0.768 606 HG2 GLU 76 2HG GLU 76 9.683 13.280 0.939 607 HG3 GLU 76 1HG GLU 76 9.971 11.984 2.097 608 H LEU 77 H LEU 77 6.426 11.924 -1.455 609 HA LEU 77 HA LEU 77 6.509 14.735 -1.498 610 HB2 LEU 77 2HB LEU 77 5.039 12.633 -2.992 611 HB3 LEU 77 1HB LEU 77 4.394 14.259 -3.073 612 HG LEU 77 HG LEU 77 6.776 14.949 -3.778 613 HD11 LEU 77 1HD1 LEU 77 7.872 12.838 -3.199 614 HD12 LEU 77 2HD1 LEU 77 8.053 13.213 -4.914 615 HD13 LEU 77 3HD1 LEU 77 6.883 12.000 -4.396 616 HD21 LEU 77 3HD2 LEU 77 5.053 13.275 -5.603 617 HD22 LEU 77 1HD2 LEU 77 6.265 14.450 -6.112 618 HD23 LEU 77 2HD2 LEU 77 4.827 14.988 -5.246 619 H ILE 78 H ILE 78 4.289 12.497 -0.047 620 HA ILE 78 HA ILE 78 2.436 14.665 0.617 621 HB ILE 78 HB ILE 78 2.023 11.745 1.233 622 HG12 ILE 78 2HG1 ILE 78 1.043 13.155 -1.255 623 HG13 ILE 78 1HG1 ILE 78 2.507 12.179 -1.228 624 HG21 ILE 78 1HG2 ILE 78 -0.349 12.375 1.186 625 HG22 ILE 78 2HG2 ILE 78 0.107 14.040 0.826 626 HG23 ILE 78 3HG2 ILE 78 0.550 13.321 2.374 627 HD11 ILE 78 3HD1 ILE 78 0.560 10.970 -2.103 628 HD12 ILE 78 1HD1 ILE 78 -0.246 11.172 -0.548 629 HD13 ILE 78 2HD1 ILE 78 1.231 10.215 -0.655 630 H ALA 79 H ALA 79 4.822 12.557 1.995 631 HA ALA 79 HA ALA 79 4.070 12.653 4.706 632 HB1 ALA 79 1HB ALA 79 5.736 11.093 3.723 633 HB2 ALA 79 2HB ALA 79 6.873 12.438 3.624 634 HB3 ALA 79 3HB ALA 79 6.290 11.889 5.196 635 H SER 80 H SER 80 5.571 14.983 2.665 636 HA SER 80 HA SER 80 6.809 16.564 4.691 637 HB2 SER 80 2HB SER 80 6.446 18.298 2.635 638 HB3 SER 80 1HB SER 80 7.755 17.117 2.689 639 HG SER 80 HG SER 80 6.809 15.974 1.168 640 H LYS 81 H LYS 81 3.641 16.027 3.785 641 HA LYS 81 HA LYS 81 2.663 18.179 5.471 642 HB2 LYS 81 2HB LYS 81 0.877 18.610 3.609 643 HB3 LYS 81 1HB LYS 81 2.451 19.391 3.487 644 HG2 LYS 81 2HG LYS 81 3.174 17.540 1.980 645 HG3 LYS 81 1HG LYS 81 1.514 16.938 2.006 646 HD2 LYS 81 2HD LYS 81 0.700 18.845 0.897 647 HD3 LYS 81 1HD LYS 81 2.176 19.760 1.212 648 HE2 LYS 81 2HE LYS 81 1.979 17.335 -0.573 649 HE3 LYS 81 1HE LYS 81 1.996 19.007 -1.134 650 HZ1 LYS 81 3HZ LYS 81 4.203 19.194 0.041 651 HZ2 LYS 81 1HZ LYS 81 4.182 18.220 -1.342 652 HZ3 LYS 81 2HZ LYS 81 4.186 17.507 0.189 653 H LYS 82 H LYS 82 2.817 15.546 6.059 654 HA LYS 82 HA LYS 82 0.505 14.058 5.312 655 HB2 LYS 82 2HB LYS 82 1.234 12.525 7.191 656 HB3 LYS 82 1HB LYS 82 2.401 12.784 5.904 657 HG2 LYS 82 2HG LYS 82 3.782 14.085 7.244 658 HG3 LYS 82 1HG LYS 82 2.491 14.438 8.395 659 HD2 LYS 82 2HD LYS 82 4.003 12.891 9.419 660 HD3 LYS 82 1HD LYS 82 2.510 12.032 9.048 661 HE2 LYS 82 2HE LYS 82 3.491 10.954 7.175 662 HE3 LYS 82 1HE LYS 82 4.908 12.002 7.225 663 HZ1 LYS 82 3HZ LYS 82 5.531 11.000 9.332 664 HZ2 LYS 82 1HZ LYS 82 5.378 9.819 8.133 665 HZ3 LYS 82 2HZ LYS 82 4.164 10.006 9.291 666 H ASP 83 H ASP 83 -0.760 16.176 5.970 667 HA ASP 83 HA ASP 83 -1.533 16.181 8.772 668 HB2 ASP 83 2HB ASP 83 -1.361 18.290 7.414 669 HB3 ASP 83 1HB ASP 83 -2.738 17.736 6.465 670 H LEU 84 H LEU 84 -2.320 14.529 5.988 671 HA LEU 84 HA LEU 84 -5.111 14.074 6.589 672 HB2 LEU 84 2HB LEU 84 -3.407 12.566 4.608 673 HB3 LEU 84 1HB LEU 84 -5.150 12.671 4.641 674 HG LEU 84 HG LEU 84 -4.739 14.099 2.916 675 HD11 LEU 84 1HD1 LEU 84 -4.249 16.023 5.179 676 HD12 LEU 84 2HD1 LEU 84 -5.834 15.413 4.706 677 HD13 LEU 84 3HD1 LEU 84 -4.896 16.394 3.581 678 HD21 LEU 84 3HD2 LEU 84 -2.325 13.782 2.939 679 HD22 LEU 84 1HD2 LEU 84 -2.174 14.953 4.245 680 HD23 LEU 84 2HD2 LEU 84 -2.742 15.472 2.659 681 H PHE 85 H PHE 85 -5.807 11.645 6.649 682 HA PHE 85 HA PHE 85 -4.237 10.444 8.787 683 HB2 PHE 85 2HB PHE 85 -6.982 9.802 7.693 684 HB3 PHE 85 1HB PHE 85 -6.202 8.888 8.982 685 HD1 PHE 85 HD1 PHE 85 -5.310 10.362 10.977 686 HD2 PHE 85 HD2 PHE 85 -8.399 11.519 8.278 687 HE1 PHE 85 HE1 PHE 85 -6.156 11.968 12.637 688 HE2 PHE 85 HE2 PHE 85 -9.248 13.125 9.936 689 HZ PHE 85 HZ PHE 85 -8.123 13.352 12.118 690 H VAL 86 H VAL 86 -2.519 10.002 7.245 691 HA VAL 86 HA VAL 86 -3.008 7.713 5.487 692 HB VAL 86 HB VAL 86 -1.849 9.561 4.434 693 HG11 VAL 86 1HG1 VAL 86 0.205 9.270 6.619 694 HG12 VAL 86 2HG1 VAL 86 -0.881 10.635 6.365 695 HG13 VAL 86 3HG1 VAL 86 0.385 10.283 5.189 696 HG21 VAL 86 3HG2 VAL 86 -1.219 7.302 3.740 697 HG22 VAL 86 1HG2 VAL 86 0.062 7.286 4.953 698 HG23 VAL 86 2HG2 VAL 86 0.139 8.420 3.604 699 H HIS 87 H HIS 87 -2.156 5.742 5.844 700 HA HIS 87 HA HIS 87 0.024 5.279 7.638 701 HB2 HIS 87 2HB HIS 87 -2.441 5.490 8.888 702 HB3 HIS 87 1HB HIS 87 -2.250 3.755 8.671 703 HD1 HIS 87 HD1 HIS 87 -0.946 2.609 10.446 704 HD2 HIS 87 HD2 HIS 87 -0.081 6.667 10.249 705 HE1 HIS 87 HE1 HIS 87 0.629 3.056 12.357 706 H SER 88 H SER 88 1.068 3.864 6.416 707 HA SER 88 HA SER 88 -0.423 1.748 5.029 708 HB2 SER 88 2HB SER 88 2.516 2.200 4.657 709 HB3 SER 88 1HB SER 88 1.307 1.689 3.480 710 HG SER 88 HG SER 88 2.195 3.966 3.419 711 H ILE 89 H ILE 89 0.221 -0.457 5.239 712 HA ILE 89 HA ILE 89 2.194 -1.127 7.262 713 HB ILE 89 HB ILE 89 0.265 -0.841 8.670 714 HG12 ILE 89 2HG1 ILE 89 0.690 -3.790 8.141 715 HG13 ILE 89 1HG1 ILE 89 1.722 -2.777 9.147 716 HG21 ILE 89 1HG2 ILE 89 -1.827 -2.082 8.326 717 HG22 ILE 89 2HG2 ILE 89 -1.191 -2.712 6.805 718 HG23 ILE 89 3HG2 ILE 89 -1.487 -0.984 6.987 719 HD11 ILE 89 3HD1 ILE 89 -1.182 -3.374 9.676 720 HD12 ILE 89 1HD1 ILE 89 -0.102 -2.434 10.707 721 HD13 ILE 89 2HD1 ILE 89 0.189 -4.156 10.461 722 H ASP 90 H ASP 90 3.249 -2.902 6.728 723 HA ASP 90 HA ASP 90 2.211 -4.579 4.556 724 HB2 ASP 90 2HB ASP 90 5.019 -4.326 5.671 725 HB3 ASP 90 1HB ASP 90 4.553 -5.371 4.334 726 H SER 91 H SER 91 2.993 -6.969 4.781 727 HA SER 91 HA SER 91 2.660 -7.799 7.581 728 HB2 SER 91 2HB SER 91 1.464 -9.123 5.141 729 HB3 SER 91 1HB SER 91 1.324 -9.718 6.797 730 HG SER 91 HG SER 91 0.589 -7.159 6.746 731 H GLU 92 H GLU 92 5.086 -7.414 6.145 732 HA GLU 92 HA GLU 92 6.101 -10.024 5.450 733 HB2 GLU 92 2HB GLU 92 7.915 -7.709 5.970 734 HB3 GLU 92 1HB GLU 92 8.018 -8.954 4.735 735 HG2 GLU 92 2HG GLU 92 5.980 -6.743 4.719 736 HG3 GLU 92 1HG GLU 92 7.528 -6.670 3.882 737 H VAL 93 H VAL 93 7.698 -11.171 6.647 738 HA VAL 93 HA VAL 93 7.471 -10.741 9.518 739 HB VAL 93 HB VAL 93 7.230 -13.015 8.443 740 HG11 VAL 93 1HG1 VAL 93 9.069 -12.882 6.864 741 HG12 VAL 93 2HG1 VAL 93 9.281 -14.260 7.942 742 HG13 VAL 93 3HG1 VAL 93 10.226 -12.791 8.192 743 HG21 VAL 93 3HG2 VAL 93 7.556 -12.775 10.839 744 HG22 VAL 93 1HG2 VAL 93 9.304 -12.722 10.612 745 HG23 VAL 93 2HG2 VAL 93 8.413 -14.198 10.243 746 H ILE 94 H ILE 94 9.535 -9.831 7.069 747 HA ILE 94 HA ILE 94 12.054 -10.001 8.396 748 HB ILE 94 HB ILE 94 11.271 -8.182 6.116 749 HG12 ILE 94 2HG1 ILE 94 12.558 -10.904 5.901 750 HG13 ILE 94 1HG1 ILE 94 10.817 -10.664 5.779 751 HG21 ILE 94 1HG2 ILE 94 13.643 -8.185 5.580 752 HG22 ILE 94 2HG2 ILE 94 13.965 -9.242 6.955 753 HG23 ILE 94 3HG2 ILE 94 13.380 -7.601 7.224 754 HD11 ILE 94 3HD1 ILE 94 11.870 -10.818 3.593 755 HD12 ILE 94 1HD1 ILE 94 12.890 -9.433 3.981 756 HD13 ILE 94 2HD1 ILE 94 11.143 -9.231 3.844 757 H THR 95 H THR 95 12.499 -8.881 10.174 758 HA THR 95 HA THR 95 11.304 -6.226 10.536 759 HB THR 95 HB THR 95 10.841 -7.703 12.369 760 HG1 THR 95 HG1 THR 95 12.589 -5.566 12.763 761 HG21 THR 95 3HG2 THR 95 13.820 -8.123 12.607 762 HG22 THR 95 1HG2 THR 95 12.649 -9.310 12.035 763 HG23 THR 95 2HG2 THR 95 12.595 -8.756 13.706 764 H LYS 96 H LYS 96 14.151 -7.594 9.479 765 HA LYS 96 HA LYS 96 15.974 -5.699 10.670 766 HB2 LYS 96 2HB LYS 96 17.686 -6.747 9.320 767 HB3 LYS 96 1HB LYS 96 16.695 -7.997 10.060 768 HG2 LYS 96 2HG LYS 96 15.846 -8.699 8.075 769 HG3 LYS 96 1HG LYS 96 15.912 -7.091 7.352 770 HD2 LYS 96 2HD LYS 96 17.516 -8.470 6.233 771 HD3 LYS 96 1HD LYS 96 18.401 -7.331 7.246 772 HE2 LYS 96 2HE LYS 96 18.725 -9.042 8.930 773 HE3 LYS 96 1HE LYS 96 17.761 -10.178 7.992 774 HZ1 LYS 96 3HZ LYS 96 20.118 -10.566 7.685 775 HZ2 LYS 96 1HZ LYS 96 20.339 -8.982 7.135 776 HZ3 LYS 96 2HZ LYS 96 19.411 -10.067 6.231 777 H LYS 97 H LYS 97 17.504 -4.521 9.106 778 HA LYS 97 HA LYS 97 16.094 -3.425 6.790 779 HB2 LYS 97 2HB LYS 97 16.821 -1.118 7.462 780 HB3 LYS 97 1HB LYS 97 15.582 -1.816 8.497 781 HG2 LYS 97 2HG LYS 97 17.058 -2.121 10.272 782 HG3 LYS 97 1HG LYS 97 18.477 -2.009 9.230 783 HD2 LYS 97 2HD LYS 97 18.180 -0.003 10.634 784 HD3 LYS 97 1HD LYS 97 18.099 0.365 8.910 785 HE2 LYS 97 2HE LYS 97 16.364 1.580 10.057 786 HE3 LYS 97 1HE LYS 97 15.628 0.325 9.065 787 HZ1 LYS 97 3HZ LYS 97 15.525 -1.054 11.126 788 HZ2 LYS 97 1HZ LYS 97 14.548 0.324 11.158 789 HZ3 LYS 97 2HZ LYS 97 16.009 0.303 12.009 790 H GLU 98 H GLU 98 17.454 -2.845 5.118 791 HA GLU 98 HA GLU 98 20.199 -3.768 5.391 792 HB2 GLU 98 2HB GLU 98 18.402 -3.172 3.069 793 HB3 GLU 98 1HB GLU 98 20.145 -3.219 2.834 794 HG2 GLU 98 2HG GLU 98 18.340 -5.432 3.752 795 HG3 GLU 98 1HG GLU 98 19.342 -5.365 2.302 796 H ALA 99 H ALA 99 21.525 -2.307 6.215 797 HA ALA 99 HA ALA 99 21.219 0.510 5.643 798 HB1 ALA 99 1HB ALA 99 23.318 -0.933 7.265 799 HB2 ALA 99 2HB ALA 99 23.089 0.815 7.192 800 HB3 ALA 99 3HB ALA 99 21.837 -0.210 7.894 801 H GLN 100 H GLN 100 21.558 -0.351 3.263 802 HA GLN 100 HA GLN 100 24.425 -0.235 2.606 803 HB2 GLN 100 2HB GLN 100 22.112 -1.119 0.862 804 HB3 GLN 100 1HB GLN 100 23.817 -1.195 0.443 805 HG2 GLN 100 2HG GLN 100 24.156 -2.786 2.314 806 HG3 GLN 100 1HG GLN 100 22.414 -2.773 2.590 807 HE21 GLN 100 1HE2 GLN 100 22.160 -4.948 2.129 808 HE22 GLN 100 2HE2 GLN 100 22.329 -5.578 0.524 809 H GLN 101 H GLN 101 25.213 1.407 1.370 810 HA GLN 101 HA GLN 101 23.413 3.639 0.914 811 HB2 GLN 101 2HB GLN 101 25.631 3.998 1.987 812 HB3 GLN 101 1HB GLN 101 26.407 3.486 0.497 813 HG2 GLN 101 2HG GLN 101 26.285 5.958 0.851 814 HG3 GLN 101 1HG GLN 101 25.623 5.382 -0.675 815 HE21 GLN 101 1HE2 GLN 101 24.367 7.206 -0.933 816 HE22 GLN 101 2HE2 GLN 101 22.955 7.508 0.019 817 H ILE 102 H ILE 102 22.232 2.560 -0.753 818 HA ILE 102 HA ILE 102 23.623 2.576 -3.344 819 HB ILE 102 HB ILE 102 22.902 0.364 -3.056 820 HG12 ILE 102 2HG1 ILE 102 20.727 1.805 -4.586 821 HG13 ILE 102 1HG1 ILE 102 22.251 1.214 -5.240 822 HG21 ILE 102 1HG2 ILE 102 20.278 1.428 -2.014 823 HG22 ILE 102 2HG2 ILE 102 21.543 0.635 -1.073 824 HG23 ILE 102 3HG2 ILE 102 20.643 -0.276 -2.286 825 HD11 ILE 102 3HD1 ILE 102 20.060 -0.504 -4.105 826 HD12 ILE 102 1HD1 ILE 102 21.562 -1.070 -4.832 827 HD13 ILE 102 2HD1 ILE 102 20.368 -0.227 -5.820 828 H ARG 103 H ARG 103 23.223 4.439 -4.304 829 HA ARG 103 HA ARG 103 20.447 5.339 -4.509 830 HB2 ARG 103 2HB ARG 103 21.842 6.533 -2.660 831 HB3 ARG 103 1HB ARG 103 22.626 7.338 -4.011 832 HG2 ARG 103 2HG ARG 103 21.004 8.847 -3.868 833 HG3 ARG 103 1HG ARG 103 19.948 7.622 -4.574 834 HD2 ARG 103 2HD ARG 103 20.374 8.201 -1.649 835 HD3 ARG 103 1HD ARG 103 18.911 8.487 -2.589 836 HE ARG 103 HE ARG 103 19.946 5.871 -1.740 837 HH11 ARG 103 1HH1 ARG 103 17.368 7.801 -3.173 838 HH12 ARG 103 2HH1 ARG 103 16.176 6.541 -2.965 839 HH21 ARG 103 1HH2 ARG 103 18.359 4.246 -1.507 840 HH22 ARG 103 2HH2 ARG 103 16.726 4.554 -2.035 841 H GLU 104 H GLU 104 19.960 5.597 -6.563 842 HA GLU 104 HA GLU 104 22.094 5.976 -8.524 843 HB2 GLU 104 2HB GLU 104 20.326 5.478 -10.192 844 HB3 GLU 104 1HB GLU 104 20.533 4.192 -9.013 845 HG2 GLU 104 2HG GLU 104 18.545 4.772 -7.887 846 HG3 GLU 104 1HG GLU 104 18.415 6.300 -8.758 847 H GLU 105 H GLU 105 20.690 7.985 -6.643 848 HA GLU 105 HA GLU 105 19.733 9.916 -8.609 849 HB2 GLU 105 2HB GLU 105 19.752 10.089 -5.588 850 HB3 GLU 105 1HB GLU 105 18.935 11.190 -6.694 851 HG2 GLU 105 2HG GLU 105 17.408 9.470 -7.370 852 HG3 GLU 105 1HG GLU 105 18.300 8.254 -6.457 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -31.931 -10.085 3.416 2 HA2 GLY 1 1HA GLY 1 -31.139 -11.752 5.001 3 HA3 GLY 1 2HA GLY 1 -30.252 -12.514 3.689 4 H SER 2 H SER 2 -30.020 -10.381 6.223 5 HA SER 2 HA SER 2 -28.003 -8.670 5.036 6 HB2 SER 2 2HB SER 2 -28.526 -8.782 7.982 7 HB3 SER 2 1HB SER 2 -28.138 -7.394 6.969 8 HG SER 2 HG SER 2 -30.189 -7.074 6.690 9 H HIS 3 H HIS 3 -25.928 -9.219 4.915 10 HA HIS 3 HA HIS 3 -24.917 -11.298 6.749 11 HB2 HIS 3 2HB HIS 3 -24.956 -12.125 4.489 12 HB3 HIS 3 1HB HIS 3 -24.185 -10.667 3.883 13 HD1 HIS 3 HD1 HIS 3 -23.292 -13.439 6.356 14 HD2 HIS 3 HD2 HIS 3 -21.567 -11.044 3.430 15 HE1 HIS 3 HE1 HIS 3 -20.901 -14.196 6.184 16 H MET 4 H MET 4 -23.257 -10.774 8.036 17 HA MET 4 HA MET 4 -22.155 -8.092 7.876 18 HB2 MET 4 2HB MET 4 -21.193 -8.523 10.036 19 HB3 MET 4 1HB MET 4 -22.854 -9.093 10.053 20 HG2 MET 4 2HG MET 4 -22.242 -11.304 10.155 21 HG3 MET 4 1HG MET 4 -20.673 -11.015 9.407 22 HE1 MET 4 3HE MET 4 -19.372 -8.713 10.964 23 HE2 MET 4 1HE MET 4 -18.526 -10.237 10.681 24 HE3 MET 4 2HE MET 4 -18.561 -9.534 12.296 25 H LYS 5 H LYS 5 -19.737 -7.828 8.183 26 HA LYS 5 HA LYS 5 -18.412 -9.523 6.223 27 HB2 LYS 5 2HB LYS 5 -17.307 -7.092 7.640 28 HB3 LYS 5 1HB LYS 5 -16.665 -7.857 6.192 29 HG2 LYS 5 2HG LYS 5 -19.330 -6.469 6.391 30 HG3 LYS 5 1HG LYS 5 -17.860 -5.774 5.709 31 HD2 LYS 5 2HD LYS 5 -19.235 -8.255 4.681 32 HD3 LYS 5 1HD LYS 5 -19.414 -6.641 3.991 33 HE2 LYS 5 2HE LYS 5 -16.849 -6.676 3.772 34 HE3 LYS 5 1HE LYS 5 -16.990 -8.416 4.036 35 HZ1 LYS 5 3HZ LYS 5 -17.011 -8.067 1.716 36 HZ2 LYS 5 1HZ LYS 5 -18.143 -6.815 1.823 37 HZ3 LYS 5 2HZ LYS 5 -18.612 -8.408 2.139 38 H THR 6 H THR 6 -18.118 -11.433 7.378 39 HA THR 6 HA THR 6 -16.753 -11.457 9.909 40 HB THR 6 HB THR 6 -16.862 -13.992 8.461 41 HG1 THR 6 HG1 THR 6 -19.293 -13.926 8.749 42 HG21 THR 6 3HG2 THR 6 -18.158 -13.019 11.013 43 HG22 THR 6 1HG2 THR 6 -16.572 -13.783 10.895 44 HG23 THR 6 2HG2 THR 6 -18.026 -14.700 10.495 45 H LYS 7 H LYS 7 -14.974 -13.533 9.754 46 HA LYS 7 HA LYS 7 -12.733 -12.267 8.494 47 HB2 LYS 7 2HB LYS 7 -11.436 -14.196 9.399 48 HB3 LYS 7 1HB LYS 7 -12.357 -13.320 10.611 49 HG2 LYS 7 2HG LYS 7 -14.006 -15.049 10.712 50 HG3 LYS 7 1HG LYS 7 -13.284 -15.878 9.334 51 HD2 LYS 7 2HD LYS 7 -11.422 -16.562 10.557 52 HD3 LYS 7 1HD LYS 7 -11.675 -15.336 11.796 53 HE2 LYS 7 2HE LYS 7 -13.600 -17.604 11.346 54 HE3 LYS 7 1HE LYS 7 -12.216 -17.736 12.431 55 HZ1 LYS 7 3HZ LYS 7 -14.077 -17.124 13.722 56 HZ2 LYS 7 1HZ LYS 7 -14.520 -15.883 12.663 57 HZ3 LYS 7 2HZ LYS 7 -13.118 -15.738 13.599 58 H LYS 8 H LYS 8 -11.211 -13.491 7.097 59 HA LYS 8 HA LYS 8 -12.418 -15.536 5.419 60 HB2 LYS 8 2HB LYS 8 -12.479 -14.347 3.436 61 HB3 LYS 8 1HB LYS 8 -12.957 -13.101 4.576 62 HG2 LYS 8 2HG LYS 8 -10.162 -13.485 3.516 63 HG3 LYS 8 1HG LYS 8 -11.332 -12.327 2.891 64 HD2 LYS 8 2HD LYS 8 -11.271 -11.037 4.855 65 HD3 LYS 8 1HD LYS 8 -10.520 -12.337 5.783 66 HE2 LYS 8 2HE LYS 8 -8.646 -12.018 3.912 67 HE3 LYS 8 1HE LYS 8 -9.308 -10.387 3.916 68 HZ1 LYS 8 3HZ LYS 8 -7.545 -10.427 5.469 69 HZ2 LYS 8 1HZ LYS 8 -8.109 -11.849 6.195 70 HZ3 LYS 8 2HZ LYS 8 -8.973 -10.410 6.381 71 H GLN 9 H GLN 9 -10.773 -16.076 3.587 72 HA GLN 9 HA GLN 9 -8.195 -16.457 4.891 73 HB2 GLN 9 2HB GLN 9 -9.016 -17.585 2.215 74 HB3 GLN 9 1HB GLN 9 -7.807 -18.202 3.333 75 HG2 GLN 9 2HG GLN 9 -9.460 -19.684 3.763 76 HG3 GLN 9 1HG GLN 9 -9.929 -18.431 4.905 77 HE21 GLN 9 1HE2 GLN 9 -11.615 -20.412 3.754 78 HE22 GLN 9 2HE2 GLN 9 -12.837 -19.585 2.851 79 H GLN 10 H GLN 10 -9.187 -15.755 1.535 80 HA GLN 10 HA GLN 10 -7.066 -13.713 1.403 81 HB2 GLN 10 2HB GLN 10 -7.887 -15.696 -0.730 82 HB3 GLN 10 1HB GLN 10 -6.854 -14.310 -1.035 83 HG2 GLN 10 2HG GLN 10 -5.275 -15.913 -0.740 84 HG3 GLN 10 1HG GLN 10 -5.438 -15.343 0.918 85 HE21 GLN 10 1HE2 GLN 10 -7.780 -17.367 -0.749 86 HE22 GLN 10 2HE2 GLN 10 -7.526 -18.772 0.224 87 H TYR 11 H TYR 11 -7.588 -11.792 0.371 88 HA TYR 11 HA TYR 11 -9.920 -11.468 -1.222 89 HB2 TYR 11 2HB TYR 11 -10.348 -11.329 1.579 90 HB3 TYR 11 1HB TYR 11 -10.449 -9.688 0.962 91 HD1 TYR 11 HD1 TYR 11 -11.515 -10.776 -1.848 92 HD2 TYR 11 HD2 TYR 11 -12.719 -11.268 2.207 93 HE1 TYR 11 HE1 TYR 11 -13.815 -11.213 -2.589 94 HE2 TYR 11 HE2 TYR 11 -15.022 -11.708 1.476 95 HH TYR 11 HH TYR 11 -15.870 -12.554 -1.540 96 H VAL 12 H VAL 12 -10.358 -9.131 -1.690 97 HA VAL 12 HA VAL 12 -8.233 -7.267 -1.083 98 HB VAL 12 HB VAL 12 -7.266 -8.400 -2.998 99 HG11 VAL 12 1HG1 VAL 12 -8.363 -8.407 -5.194 100 HG12 VAL 12 2HG1 VAL 12 -9.811 -7.718 -4.462 101 HG13 VAL 12 3HG1 VAL 12 -9.269 -9.330 -3.996 102 HG21 VAL 12 3HG2 VAL 12 -8.349 -5.689 -3.760 103 HG22 VAL 12 1HG2 VAL 12 -6.977 -6.497 -4.521 104 HG23 VAL 12 2HG2 VAL 12 -6.886 -6.005 -2.829 105 H THR 13 H THR 13 -8.961 -5.206 -1.076 106 HA THR 13 HA THR 13 -11.422 -4.498 -2.459 107 HB THR 13 HB THR 13 -11.174 -4.674 0.522 108 HG1 THR 13 HG1 THR 13 -13.551 -5.144 0.001 109 HG21 THR 13 3HG2 THR 13 -11.643 -2.337 0.302 110 HG22 THR 13 1HG2 THR 13 -13.159 -3.142 0.708 111 HG23 THR 13 2HG2 THR 13 -12.847 -2.638 -0.953 112 H ILE 14 H ILE 14 -11.425 -2.410 -3.107 113 HA ILE 14 HA ILE 14 -9.381 -0.603 -2.000 114 HB ILE 14 HB ILE 14 -10.206 -0.700 -4.907 115 HG12 ILE 14 2HG1 ILE 14 -7.627 -1.689 -3.667 116 HG13 ILE 14 1HG1 ILE 14 -8.938 -2.731 -4.208 117 HG21 ILE 14 1HG2 ILE 14 -8.252 0.771 -5.233 118 HG22 ILE 14 2HG2 ILE 14 -8.016 0.809 -3.484 119 HG23 ILE 14 3HG2 ILE 14 -9.480 1.495 -4.191 120 HD11 ILE 14 3HD1 ILE 14 -7.233 -2.694 -5.876 121 HD12 ILE 14 1HD1 ILE 14 -7.237 -0.931 -5.910 122 HD13 ILE 14 2HD1 ILE 14 -8.640 -1.826 -6.495 123 H LYS 15 H LYS 15 -10.089 1.378 -1.440 124 HA LYS 15 HA LYS 15 -12.660 2.326 -2.492 125 HB2 LYS 15 2HB LYS 15 -13.168 1.372 -0.314 126 HB3 LYS 15 1HB LYS 15 -11.850 2.268 0.422 127 HG2 LYS 15 2HG LYS 15 -13.123 4.362 -0.415 128 HG3 LYS 15 1HG LYS 15 -14.492 3.258 -0.542 129 HD2 LYS 15 2HD LYS 15 -14.334 2.709 1.798 130 HD3 LYS 15 1HD LYS 15 -12.857 3.660 1.963 131 HE2 LYS 15 2HE LYS 15 -14.112 5.688 1.395 132 HE3 LYS 15 1HE LYS 15 -15.584 4.730 1.254 133 HZ1 LYS 15 3HZ LYS 15 -15.420 4.163 3.582 134 HZ2 LYS 15 1HZ LYS 15 -15.435 5.843 3.395 135 HZ3 LYS 15 2HZ LYS 15 -13.984 5.044 3.737 136 H GLY 16 H GLY 16 -12.030 4.066 -3.631 137 HA2 GLY 16 2HA GLY 16 -10.598 6.174 -2.183 138 HA3 GLY 16 1HA GLY 16 -9.903 5.603 -3.691 139 H THR 17 H THR 17 -13.000 6.773 -2.398 140 HA THR 17 HA THR 17 -13.173 8.645 -4.600 141 HB THR 17 HB THR 17 -14.288 6.724 -5.566 142 HG1 THR 17 HG1 THR 17 -16.605 7.780 -5.383 143 HG21 THR 17 3HG2 THR 17 -14.858 5.533 -3.499 144 HG22 THR 17 1HG2 THR 17 -16.261 5.698 -4.556 145 HG23 THR 17 2HG2 THR 17 -16.095 6.740 -3.143 146 H LYS 18 H LYS 18 -13.812 10.530 -3.855 147 HA LYS 18 HA LYS 18 -14.596 12.167 -2.500 148 HB2 LYS 18 2HB LYS 18 -16.680 10.050 -1.999 149 HB3 LYS 18 1HB LYS 18 -16.770 11.639 -1.253 150 HG2 LYS 18 2HG LYS 18 -16.526 12.496 -3.701 151 HG3 LYS 18 1HG LYS 18 -17.068 10.872 -4.119 152 HD2 LYS 18 2HD LYS 18 -18.537 12.713 -2.238 153 HD3 LYS 18 1HD LYS 18 -18.903 12.555 -3.955 154 HE2 LYS 18 2HE LYS 18 -19.371 10.174 -3.630 155 HE3 LYS 18 1HE LYS 18 -19.013 10.338 -1.911 156 HZ1 LYS 18 3HZ LYS 18 -21.151 11.857 -3.300 157 HZ2 LYS 18 1HZ LYS 18 -20.875 11.764 -1.634 158 HZ3 LYS 18 2HZ LYS 18 -21.411 10.404 -2.476 159 H ASN 19 H ASN 19 -12.552 10.460 -1.570 160 HA ASN 19 HA ASN 19 -12.496 11.177 1.187 161 HB2 ASN 19 2HB ASN 19 -13.833 8.907 0.978 162 HB3 ASN 19 1HB ASN 19 -12.228 8.215 0.766 163 HD21 ASN 19 1HD2 ASN 19 -14.423 9.748 2.951 164 HD22 ASN 19 2HD2 ASN 19 -13.501 9.484 4.390 165 H GLY 20 H GLY 20 -10.452 9.272 1.906 166 HA2 GLY 20 2HA GLY 20 -8.271 10.429 0.366 167 HA3 GLY 20 1HA GLY 20 -8.126 9.498 1.852 168 H LEU 21 H LEU 21 -7.839 7.318 1.763 169 HA LEU 21 HA LEU 21 -8.213 5.802 -0.628 170 HB2 LEU 21 2HB LEU 21 -6.158 6.972 -1.252 171 HB3 LEU 21 1HB LEU 21 -5.397 6.462 0.240 172 HG LEU 21 HG LEU 21 -5.657 4.082 -0.551 173 HD11 LEU 21 1HD1 LEU 21 -7.390 4.403 -2.200 174 HD12 LEU 21 2HD1 LEU 21 -5.939 3.774 -2.982 175 HD13 LEU 21 3HD1 LEU 21 -6.352 5.484 -3.127 176 HD21 LEU 21 3HD2 LEU 21 -3.979 5.922 -2.250 177 HD22 LEU 21 1HD2 LEU 21 -3.719 4.197 -2.003 178 HD23 LEU 21 2HD2 LEU 21 -3.540 5.316 -0.653 179 H THR 22 H THR 22 -9.165 4.163 0.434 180 HA THR 22 HA THR 22 -7.641 2.906 2.635 181 HB THR 22 HB THR 22 -10.640 2.719 2.398 182 HG1 THR 22 HG1 THR 22 -9.175 4.913 3.056 183 HG21 THR 22 3HG2 THR 22 -9.404 1.120 3.846 184 HG22 THR 22 1HG2 THR 22 -10.512 2.154 4.750 185 HG23 THR 22 2HG2 THR 22 -8.780 2.487 4.769 186 H LEU 23 H LEU 23 -6.849 1.015 1.970 187 HA LEU 23 HA LEU 23 -8.584 -0.826 0.550 188 HB2 LEU 23 2HB LEU 23 -6.745 -1.293 -1.133 189 HB3 LEU 23 1HB LEU 23 -7.659 0.182 -1.355 190 HG LEU 23 HG LEU 23 -5.686 1.292 -0.050 191 HD11 LEU 23 1HD1 LEU 23 -4.504 -0.684 0.610 192 HD12 LEU 23 2HD1 LEU 23 -3.526 0.185 -0.572 193 HD13 LEU 23 3HD1 LEU 23 -4.425 -1.251 -1.058 194 HD21 LEU 23 3HD2 LEU 23 -6.316 1.722 -2.381 195 HD22 LEU 23 1HD2 LEU 23 -5.354 0.332 -2.887 196 HD23 LEU 23 2HD2 LEU 23 -4.569 1.729 -2.152 197 H HIS 24 H HIS 24 -7.527 -2.971 0.278 198 HA HIS 24 HA HIS 24 -5.228 -3.578 1.842 199 HB2 HIS 24 2HB HIS 24 -6.180 -4.857 3.612 200 HB3 HIS 24 1HB HIS 24 -7.010 -3.307 3.619 201 HD1 HIS 24 HD1 HIS 24 -7.562 -6.957 3.170 202 HD2 HIS 24 HD2 HIS 24 -9.731 -3.418 2.794 203 HE1 HIS 24 HE1 HIS 24 -9.976 -7.645 3.028 204 H LEU 25 H LEU 25 -4.345 -5.440 1.262 205 HA LEU 25 HA LEU 25 -5.912 -7.259 -0.434 206 HB2 LEU 25 2HB LEU 25 -4.082 -5.739 -1.537 207 HB3 LEU 25 1HB LEU 25 -2.957 -6.855 -0.793 208 HG LEU 25 HG LEU 25 -5.142 -7.958 -2.503 209 HD11 LEU 25 1HD1 LEU 25 -2.623 -6.665 -3.528 210 HD12 LEU 25 2HD1 LEU 25 -4.284 -6.187 -3.876 211 HD13 LEU 25 3HD1 LEU 25 -3.669 -7.728 -4.470 212 HD21 LEU 25 3HD2 LEU 25 -3.630 -9.426 -1.213 213 HD22 LEU 25 1HD2 LEU 25 -2.265 -8.760 -2.109 214 HD23 LEU 25 2HD2 LEU 25 -3.517 -9.672 -2.955 215 H ASP 26 H ASP 26 -6.024 -9.222 0.435 216 HA ASP 26 HA ASP 26 -3.992 -9.972 2.429 217 HB2 ASP 26 2HB ASP 26 -6.920 -10.690 2.244 218 HB3 ASP 26 1HB ASP 26 -5.799 -11.490 3.338 219 H ASP 27 H ASP 27 -2.661 -10.821 0.795 220 HA ASP 27 HA ASP 27 -3.105 -13.605 0.298 221 HB2 ASP 27 2HB ASP 27 -4.362 -12.715 -1.606 222 HB3 ASP 27 1HB ASP 27 -2.989 -11.713 -2.064 223 H ALA 28 H ALA 28 -1.177 -14.541 0.515 224 HA ALA 28 HA ALA 28 1.197 -12.860 0.489 225 HB1 ALA 28 1HB ALA 28 0.879 -15.746 1.298 226 HB2 ALA 28 2HB ALA 28 2.318 -14.755 1.529 227 HB3 ALA 28 3HB ALA 28 0.829 -14.358 2.385 228 H CYS 29 H CYS 29 3.149 -13.513 -0.538 229 HA CYS 29 HA CYS 29 4.414 -14.058 -2.330 230 HB2 CYS 29 2HB CYS 29 2.617 -16.439 -2.725 231 HB3 CYS 29 1HB CYS 29 4.326 -16.290 -3.111 232 HG CYS 29 HG CYS 29 4.736 -15.859 -0.147 233 H SER 30 H SER 30 2.846 -12.111 -3.059 234 HA SER 30 HA SER 30 2.251 -12.715 -5.829 235 HB2 SER 30 2HB SER 30 0.065 -11.231 -5.365 236 HB3 SER 30 1HB SER 30 0.050 -12.990 -5.261 237 HG SER 30 HG SER 30 -0.668 -12.606 -3.320 238 H PHE 31 H PHE 31 1.726 -10.643 -7.027 239 HA PHE 31 HA PHE 31 3.321 -8.452 -5.887 240 HB2 PHE 31 2HB PHE 31 3.338 -9.729 -8.489 241 HB3 PHE 31 1HB PHE 31 3.063 -7.997 -8.632 242 HD1 PHE 31 HD2 PHE 31 5.163 -10.015 -6.299 243 HD2 PHE 31 HD1 PHE 31 5.027 -6.989 -9.290 244 HE1 PHE 31 HE2 PHE 31 7.570 -9.610 -5.999 245 HE2 PHE 31 HE1 PHE 31 7.431 -6.583 -8.992 246 HZ PHE 31 HZ PHE 31 8.708 -7.895 -7.346 247 H ASP 32 H ASP 32 2.087 -6.919 -5.117 248 HA ASP 32 HA ASP 32 -0.615 -6.477 -6.020 249 HB2 ASP 32 2HB ASP 32 -0.479 -4.610 -4.268 250 HB3 ASP 32 1HB ASP 32 -0.299 -6.262 -3.691 251 H GLU 33 H GLU 33 1.010 -6.040 -8.146 252 HA GLU 33 HA GLU 33 1.931 -3.402 -8.503 253 HB2 GLU 33 2HB GLU 33 1.059 -5.458 -10.532 254 HB3 GLU 33 1HB GLU 33 1.878 -3.955 -10.932 255 HG2 GLU 33 2HG GLU 33 3.866 -4.628 -9.924 256 HG3 GLU 33 1HG GLU 33 3.074 -5.913 -9.012 257 H LEU 34 H LEU 34 -1.167 -4.926 -9.332 258 HA LEU 34 HA LEU 34 -2.256 -2.646 -10.622 259 HB2 LEU 34 2HB LEU 34 -3.611 -5.002 -9.308 260 HB3 LEU 34 1HB LEU 34 -4.450 -3.791 -10.258 261 HG LEU 34 HG LEU 34 -2.246 -5.549 -11.340 262 HD11 LEU 34 1HD1 LEU 34 -4.002 -6.828 -12.423 263 HD12 LEU 34 2HD1 LEU 34 -5.233 -5.840 -11.638 264 HD13 LEU 34 3HD1 LEU 34 -4.190 -6.883 -10.670 265 HD21 LEU 34 3HD2 LEU 34 -4.244 -3.728 -12.680 266 HD22 LEU 34 1HD2 LEU 34 -3.123 -4.803 -13.514 267 HD23 LEU 34 2HD2 LEU 34 -2.505 -3.462 -12.550 268 H LEU 35 H LEU 35 -2.197 -3.758 -7.306 269 HA LEU 35 HA LEU 35 -4.107 -1.986 -6.237 270 HB2 LEU 35 2HB LEU 35 -3.098 -4.021 -5.127 271 HB3 LEU 35 1HB LEU 35 -1.664 -3.059 -4.835 272 HG LEU 35 HG LEU 35 -3.140 -1.458 -3.544 273 HD11 LEU 35 1HD1 LEU 35 -5.243 -2.426 -2.673 274 HD12 LEU 35 2HD1 LEU 35 -5.068 -3.757 -3.817 275 HD13 LEU 35 3HD1 LEU 35 -5.295 -2.110 -4.406 276 HD21 LEU 35 3HD2 LEU 35 -1.649 -2.972 -2.402 277 HD22 LEU 35 1HD2 LEU 35 -2.802 -4.295 -2.578 278 HD23 LEU 35 2HD2 LEU 35 -3.192 -2.920 -1.546 279 H ASP 36 H ASP 36 -0.583 -1.795 -6.506 280 HA ASP 36 HA ASP 36 -0.199 0.718 -5.354 281 HB2 ASP 36 2HB ASP 36 1.780 -0.449 -5.660 282 HB3 ASP 36 1HB ASP 36 1.347 -0.963 -7.287 283 H GLY 37 H GLY 37 -0.972 -0.201 -8.673 284 HA2 GLY 37 2HA GLY 37 -0.673 2.305 -9.893 285 HA3 GLY 37 1HA GLY 37 -1.740 1.026 -10.458 286 H LEU 38 H LEU 38 -3.446 0.861 -8.242 287 HA LEU 38 HA LEU 38 -5.265 2.946 -8.811 288 HB2 LEU 38 2HB LEU 38 -5.161 0.612 -7.031 289 HB3 LEU 38 1HB LEU 38 -6.144 1.932 -6.430 290 HG LEU 38 HG LEU 38 -7.470 0.275 -7.664 291 HD11 LEU 38 1HD1 LEU 38 -7.275 2.943 -9.049 292 HD12 LEU 38 2HD1 LEU 38 -8.219 2.589 -7.603 293 HD13 LEU 38 3HD1 LEU 38 -8.639 1.832 -9.138 294 HD21 LEU 38 3HD2 LEU 38 -5.883 1.122 -10.078 295 HD22 LEU 38 1HD2 LEU 38 -7.215 -0.032 -10.035 296 HD23 LEU 38 2HD2 LEU 38 -5.692 -0.414 -9.233 297 H GLN 39 H GLN 39 -3.077 2.331 -6.100 298 HA GLN 39 HA GLN 39 -3.804 4.394 -4.389 299 HB2 GLN 39 2HB GLN 39 -1.000 3.403 -4.942 300 HB3 GLN 39 1HB GLN 39 -1.517 4.283 -3.511 301 HG2 GLN 39 2HG GLN 39 -2.896 2.448 -2.819 302 HG3 GLN 39 1HG GLN 39 -2.572 1.585 -4.318 303 HE21 GLN 39 1HE2 GLN 39 0.260 2.351 -4.321 304 HE22 GLN 39 2HE2 GLN 39 1.006 1.367 -3.116 305 H ASN 40 H ASN 40 -1.405 4.427 -6.989 306 HA ASN 40 HA ASN 40 -0.645 7.124 -6.685 307 HB2 ASN 40 2HB ASN 40 -0.349 5.094 -8.870 308 HB3 ASN 40 1HB ASN 40 0.099 6.772 -9.167 309 HD21 ASN 40 1HD2 ASN 40 0.794 3.900 -7.302 310 HD22 ASN 40 2HD2 ASN 40 2.371 4.389 -6.788 311 H MET 41 H MET 41 -2.795 5.599 -9.080 312 HA MET 41 HA MET 41 -3.523 7.894 -10.460 313 HB2 MET 41 2HB MET 41 -4.101 5.822 -11.417 314 HB3 MET 41 1HB MET 41 -4.972 5.302 -9.980 315 HG2 MET 41 2HG MET 41 -6.722 6.917 -10.414 316 HG3 MET 41 1HG MET 41 -5.825 7.556 -11.789 317 HE1 MET 41 3HE MET 41 -5.938 6.694 -14.119 318 HE2 MET 41 1HE MET 41 -6.270 5.019 -14.557 319 HE3 MET 41 2HE MET 41 -4.848 5.414 -13.591 320 H LEU 42 H LEU 42 -5.201 6.404 -7.690 321 HA LEU 42 HA LEU 42 -7.320 8.245 -7.615 322 HB2 LEU 42 2HB LEU 42 -6.136 6.530 -5.442 323 HB3 LEU 42 1HB LEU 42 -7.622 7.449 -5.263 324 HG LEU 42 HG LEU 42 -7.203 5.306 -7.346 325 HD11 LEU 42 1HD1 LEU 42 -7.224 4.048 -5.427 326 HD12 LEU 42 2HD1 LEU 42 -8.948 4.152 -5.779 327 HD13 LEU 42 3HD1 LEU 42 -8.233 5.197 -4.553 328 HD21 LEU 42 3HD2 LEU 42 -9.663 5.423 -7.539 329 HD22 LEU 42 1HD2 LEU 42 -8.871 6.930 -8.001 330 HD23 LEU 42 2HD2 LEU 42 -9.663 6.796 -6.431 331 H SER 43 H SER 43 -4.179 8.291 -5.967 332 HA SER 43 HA SER 43 -4.709 10.502 -4.310 333 HB2 SER 43 2HB SER 43 -2.052 9.577 -5.425 334 HB3 SER 43 1HB SER 43 -2.271 10.664 -4.054 335 HG SER 43 HG SER 43 -2.850 7.910 -4.255 336 H ILE 44 H ILE 44 -3.498 10.307 -7.625 337 HA ILE 44 HA ILE 44 -3.013 13.154 -7.781 338 HB ILE 44 HB ILE 44 -3.138 11.208 -10.093 339 HG12 ILE 44 2HG1 ILE 44 -0.625 11.989 -8.624 340 HG13 ILE 44 1HG1 ILE 44 -1.559 10.573 -8.155 341 HG21 ILE 44 1HG2 ILE 44 -3.146 13.567 -10.709 342 HG22 ILE 44 2HG2 ILE 44 -1.621 12.807 -11.163 343 HG23 ILE 44 3HG2 ILE 44 -1.699 13.837 -9.736 344 HD11 ILE 44 3HD1 ILE 44 0.289 9.967 -9.598 345 HD12 ILE 44 1HD1 ILE 44 -0.309 11.054 -10.848 346 HD13 ILE 44 2HD1 ILE 44 -1.252 9.635 -10.388 347 H GLU 45 H GLU 45 -5.622 11.006 -8.287 348 HA GLU 45 HA GLU 45 -7.131 12.648 -10.087 349 HB2 GLU 45 2HB GLU 45 -7.402 10.206 -9.998 350 HB3 GLU 45 1HB GLU 45 -7.982 10.328 -8.345 351 HG2 GLU 45 2HG GLU 45 -10.046 10.834 -8.991 352 HG3 GLU 45 1HG GLU 45 -9.480 11.998 -10.190 353 H GLN 46 H GLN 46 -7.403 11.842 -6.625 354 HA GLN 46 HA GLN 46 -8.487 14.463 -6.085 355 HB2 GLN 46 2HB GLN 46 -10.495 13.491 -4.899 356 HB3 GLN 46 1HB GLN 46 -10.549 13.424 -6.653 357 HG2 GLN 46 2HG GLN 46 -11.139 11.296 -6.356 358 HG3 GLN 46 1HG GLN 46 -9.426 11.020 -6.050 359 HE21 GLN 46 1HE2 GLN 46 -8.720 10.711 -3.934 360 HE22 GLN 46 2HE2 GLN 46 -9.819 10.365 -2.638 361 H TYR 47 H TYR 47 -8.606 14.931 -3.826 362 HA TYR 47 HA TYR 47 -7.559 13.004 -1.956 363 HB2 TYR 47 2HB TYR 47 -5.704 14.585 -1.221 364 HB3 TYR 47 1HB TYR 47 -5.434 13.708 -2.720 365 HD1 TYR 47 HD1 TYR 47 -5.549 14.907 -4.885 366 HD2 TYR 47 HD2 TYR 47 -5.878 16.972 -1.183 367 HE1 TYR 47 HE1 TYR 47 -5.075 17.029 -6.033 368 HE2 TYR 47 HE2 TYR 47 -5.410 19.100 -2.322 369 HH TYR 47 HH TYR 47 -4.155 19.776 -4.490 370 H THR 48 H THR 48 -8.781 16.217 -2.636 371 HA THR 48 HA THR 48 -9.243 16.797 0.150 372 HB THR 48 HB THR 48 -10.758 18.426 -1.722 373 HG1 THR 48 HG1 THR 48 -8.886 19.302 -2.768 374 HG21 THR 48 3HG2 THR 48 -10.162 19.098 0.559 375 HG22 THR 48 1HG2 THR 48 -9.514 20.228 -0.632 376 HG23 THR 48 2HG2 THR 48 -8.453 19.044 0.127 377 H ASP 49 H ASP 49 -10.599 15.123 0.870 378 HA ASP 49 HA ASP 49 -12.981 14.362 -0.457 379 HB2 ASP 49 2HB ASP 49 -13.448 13.012 1.424 380 HB3 ASP 49 1HB ASP 49 -11.692 13.046 1.317 381 H GLY 50 H GLY 50 -12.466 16.422 2.411 382 HA2 GLY 50 2HA GLY 50 -13.732 18.588 2.267 383 HA3 GLY 50 1HA GLY 50 -15.124 17.595 1.871 384 H LYS 51 H LYS 51 -13.752 15.653 4.049 385 HA LYS 51 HA LYS 51 -14.435 17.178 6.423 386 HB2 LYS 51 2HB LYS 51 -16.552 16.090 5.334 387 HB3 LYS 51 1HB LYS 51 -15.924 14.610 6.044 388 HG2 LYS 51 2HG LYS 51 -17.514 15.516 7.557 389 HG3 LYS 51 1HG LYS 51 -15.916 15.756 8.261 390 HD2 LYS 51 2HD LYS 51 -17.117 17.775 8.598 391 HD3 LYS 51 1HD LYS 51 -15.966 18.085 7.297 392 HE2 LYS 51 2HE LYS 51 -17.768 17.693 5.653 393 HE3 LYS 51 1HE LYS 51 -18.902 17.469 6.983 394 HZ1 LYS 51 3HZ LYS 51 -17.338 19.950 6.535 395 HZ2 LYS 51 1HZ LYS 51 -18.579 19.720 7.663 396 HZ3 LYS 51 2HZ LYS 51 -18.927 19.725 6.010 397 H GLY 52 H GLY 52 -12.087 15.760 5.366 398 HA2 GLY 52 2HA GLY 52 -10.341 14.933 6.787 399 HA3 GLY 52 1HA GLY 52 -11.567 14.150 7.775 400 H GLN 53 H GLN 53 -9.604 13.952 4.946 401 HA GLN 53 HA GLN 53 -10.756 11.494 3.992 402 HB2 GLN 53 2HB GLN 53 -8.948 11.549 2.323 403 HB3 GLN 53 1HB GLN 53 -9.852 13.054 2.385 404 HG2 GLN 53 2HG GLN 53 -7.280 12.725 3.882 405 HG3 GLN 53 1HG GLN 53 -7.303 13.155 2.173 406 HE21 GLN 53 1HE2 GLN 53 -8.116 15.156 1.547 407 HE22 GLN 53 2HE2 GLN 53 -8.334 16.448 2.682 408 H LYS 54 H LYS 54 -10.038 9.472 4.224 409 HA LYS 54 HA LYS 54 -7.850 9.045 6.128 410 HB2 LYS 54 2HB LYS 54 -10.207 8.272 6.700 411 HB3 LYS 54 1HB LYS 54 -10.020 7.072 5.430 412 HG2 LYS 54 2HG LYS 54 -8.168 6.068 6.594 413 HG3 LYS 54 1HG LYS 54 -8.211 7.337 7.820 414 HD2 LYS 54 2HD LYS 54 -10.475 6.627 8.450 415 HD3 LYS 54 1HD LYS 54 -10.394 5.334 7.250 416 HE2 LYS 54 2HE LYS 54 -8.449 4.393 8.433 417 HE3 LYS 54 1HE LYS 54 -8.593 5.668 9.643 418 HZ1 LYS 54 3HZ LYS 54 -10.820 4.841 10.163 419 HZ2 LYS 54 1HZ LYS 54 -9.632 3.668 10.423 420 HZ3 LYS 54 2HZ LYS 54 -10.612 3.583 9.053 421 H ILE 55 H ILE 55 -6.036 8.491 5.197 422 HA ILE 55 HA ILE 55 -6.103 6.866 2.746 423 HB ILE 55 HB ILE 55 -3.749 8.477 3.744 424 HG12 ILE 55 2HG1 ILE 55 -5.873 9.281 1.738 425 HG13 ILE 55 1HG1 ILE 55 -5.647 9.987 3.336 426 HG21 ILE 55 1HG2 ILE 55 -3.711 6.514 1.943 427 HG22 ILE 55 2HG2 ILE 55 -2.696 7.949 1.796 428 HG23 ILE 55 3HG2 ILE 55 -4.199 7.839 0.885 429 HD11 ILE 55 3HD1 ILE 55 -3.684 10.108 1.057 430 HD12 ILE 55 1HD1 ILE 55 -3.463 10.829 2.651 431 HD13 ILE 55 2HD1 ILE 55 -4.745 11.414 1.588 432 H SER 56 H SER 56 -6.558 5.183 4.545 433 HA SER 56 HA SER 56 -4.167 4.283 5.921 434 HB2 SER 56 2HB SER 56 -6.869 2.937 5.866 435 HB3 SER 56 1HB SER 56 -5.589 2.745 7.067 436 HG SER 56 HG SER 56 -5.976 5.206 7.244 437 H VAL 57 H VAL 57 -2.806 3.582 4.313 438 HA VAL 57 HA VAL 57 -3.694 1.601 2.390 439 HB VAL 57 HB VAL 57 -0.906 2.672 2.871 440 HG11 VAL 57 1HG1 VAL 57 -2.073 1.180 0.527 441 HG12 VAL 57 2HG1 VAL 57 -0.921 0.544 1.702 442 HG13 VAL 57 3HG1 VAL 57 -0.444 1.848 0.616 443 HG21 VAL 57 3HG2 VAL 57 -2.990 3.560 0.877 444 HG22 VAL 57 1HG2 VAL 57 -1.320 4.123 0.932 445 HG23 VAL 57 2HG2 VAL 57 -2.416 4.485 2.265 446 H HIS 58 H HIS 58 -4.184 -0.221 3.549 447 HA HIS 58 HA HIS 58 -2.029 -1.337 5.213 448 HB2 HIS 58 2HB HIS 58 -5.011 -1.791 5.245 449 HB3 HIS 58 1HB HIS 58 -3.889 -2.840 6.101 450 HD1 HIS 58 HD1 HIS 58 -5.569 -1.816 8.080 451 HD2 HIS 58 HD2 HIS 58 -2.601 0.653 6.545 452 HE1 HIS 58 HE1 HIS 58 -5.266 0.008 9.779 453 H VAL 59 H VAL 59 -0.815 -2.789 4.183 454 HA VAL 59 HA VAL 59 -2.145 -4.552 2.237 455 HB VAL 59 HB VAL 59 0.509 -5.011 1.807 456 HG11 VAL 59 1HG1 VAL 59 -1.160 -4.651 0.090 457 HG12 VAL 59 2HG1 VAL 59 0.236 -3.615 -0.204 458 HG13 VAL 59 3HG1 VAL 59 -1.234 -2.935 0.490 459 HG21 VAL 59 3HG2 VAL 59 1.641 -2.853 1.641 460 HG22 VAL 59 1HG2 VAL 59 1.211 -3.218 3.313 461 HG23 VAL 59 2HG2 VAL 59 0.252 -2.063 2.386 462 H LYS 60 H LYS 60 -2.537 -6.528 2.933 463 HA LYS 60 HA LYS 60 -0.855 -7.625 5.081 464 HB2 LYS 60 2HB LYS 60 -3.762 -8.093 4.413 465 HB3 LYS 60 1HB LYS 60 -2.863 -9.092 5.549 466 HG2 LYS 60 2HG LYS 60 -2.370 -6.991 6.842 467 HG3 LYS 60 1HG LYS 60 -3.522 -6.167 5.788 468 HD2 LYS 60 2HD LYS 60 -4.619 -6.841 7.836 469 HD3 LYS 60 1HD LYS 60 -5.260 -7.777 6.485 470 HE2 LYS 60 2HE LYS 60 -3.032 -9.177 7.536 471 HE3 LYS 60 1HE LYS 60 -4.054 -8.706 8.893 472 HZ1 LYS 60 3HZ LYS 60 -4.496 -10.913 7.645 473 HZ2 LYS 60 1HZ LYS 60 -5.282 -9.929 6.509 474 HZ3 LYS 60 2HZ LYS 60 -5.797 -9.951 8.125 475 H LEU 61 H LEU 61 0.168 -7.850 2.621 476 HA LEU 61 HA LEU 61 -0.683 -10.244 1.292 477 HB2 LEU 61 2HB LEU 61 1.535 -8.283 0.940 478 HB3 LEU 61 1HB LEU 61 1.690 -9.859 0.188 479 HG LEU 61 HG LEU 61 -0.750 -9.236 -0.701 480 HD11 LEU 61 1HD1 LEU 61 -0.801 -6.854 -1.330 481 HD12 LEU 61 2HD1 LEU 61 0.609 -6.577 -0.305 482 HD13 LEU 61 3HD1 LEU 61 -0.912 -7.107 0.412 483 HD21 LEU 61 3HD2 LEU 61 1.201 -9.847 -2.056 484 HD22 LEU 61 1HD2 LEU 61 1.802 -8.194 -1.919 485 HD23 LEU 61 2HD2 LEU 61 0.290 -8.515 -2.769 486 H GLY 62 H GLY 62 2.583 -9.501 2.445 487 HA2 GLY 62 2HA GLY 62 3.675 -10.766 4.180 488 HA3 GLY 62 1HA GLY 62 2.632 -12.127 3.777 489 H ASN 63 H ASN 63 5.668 -11.082 3.599 490 HA ASN 63 HA ASN 63 7.501 -11.404 2.310 491 HB2 ASN 63 2HB ASN 63 7.873 -13.756 1.618 492 HB3 ASN 63 1HB ASN 63 7.312 -13.606 3.274 493 HD21 ASN 63 1HD2 ASN 63 5.493 -14.649 3.878 494 HD22 ASN 63 2HD2 ASN 63 4.510 -15.587 2.812 495 H ARG 64 H ARG 64 5.580 -9.992 0.872 496 HA ARG 64 HA ARG 64 5.231 -11.084 -1.739 497 HB2 ARG 64 2HB ARG 64 4.472 -8.841 -2.382 498 HB3 ARG 64 1HB ARG 64 3.718 -9.362 -0.885 499 HG2 ARG 64 2HG ARG 64 5.757 -8.025 0.161 500 HG3 ARG 64 1HG ARG 64 5.656 -7.175 -1.380 501 HD2 ARG 64 2HD ARG 64 3.070 -7.593 -0.059 502 HD3 ARG 64 1HD ARG 64 4.185 -6.582 0.852 503 HE ARG 64 HE ARG 64 3.148 -6.011 -1.857 504 HH11 ARG 64 1HH1 ARG 64 4.665 -4.955 1.149 505 HH12 ARG 64 2HH1 ARG 64 4.596 -3.274 0.717 506 HH21 ARG 64 1HH2 ARG 64 2.981 -3.795 -2.361 507 HH22 ARG 64 2HH2 ARG 64 3.645 -2.612 -1.268 508 H PHE 65 H PHE 65 7.748 -9.392 -0.137 509 HA PHE 65 HA PHE 65 9.827 -8.703 -0.706 510 HB2 PHE 65 2HB PHE 65 9.429 -11.171 -1.941 511 HB3 PHE 65 1HB PHE 65 10.132 -10.156 -3.197 512 HD1 PHE 65 HD1 PHE 65 10.663 -11.616 0.134 513 HD2 PHE 65 HD2 PHE 65 12.397 -9.409 -3.067 514 HE1 PHE 65 HE1 PHE 65 12.892 -11.949 1.118 515 HE2 PHE 65 HE2 PHE 65 14.633 -9.740 -2.088 516 HZ PHE 65 HZ PHE 65 14.878 -11.015 0.008 517 H LEU 66 H LEU 66 7.578 -7.202 -1.731 518 HA LEU 66 HA LEU 66 8.306 -6.327 -4.377 519 HB2 LEU 66 2HB LEU 66 5.948 -6.357 -3.399 520 HB3 LEU 66 1HB LEU 66 6.420 -4.945 -2.474 521 HG LEU 66 HG LEU 66 7.103 -4.315 -5.105 522 HD11 LEU 66 1HD1 LEU 66 5.816 -6.191 -5.924 523 HD12 LEU 66 2HD1 LEU 66 5.011 -4.675 -6.333 524 HD13 LEU 66 3HD1 LEU 66 4.410 -5.663 -5.000 525 HD21 LEU 66 3HD2 LEU 66 4.663 -3.569 -3.498 526 HD22 LEU 66 1HD2 LEU 66 5.271 -2.699 -4.909 527 HD23 LEU 66 2HD2 LEU 66 6.238 -2.779 -3.435 528 H TYR 67 H TYR 67 8.973 -4.172 -4.876 529 HA TYR 67 HA TYR 67 11.044 -3.214 -3.163 530 HB2 TYR 67 2HB TYR 67 10.753 -1.251 -5.051 531 HB3 TYR 67 1HB TYR 67 11.732 -2.698 -5.261 532 HD1 TYR 67 HD2 TYR 67 8.339 -1.310 -5.889 533 HD2 TYR 67 HD1 TYR 67 11.239 -4.228 -6.971 534 HE1 TYR 67 HE2 TYR 67 6.962 -1.952 -7.820 535 HE2 TYR 67 HE1 TYR 67 9.868 -4.880 -8.906 536 HH TYR 67 HH TYR 67 7.676 -4.759 -9.736 537 H LYS 68 H LYS 68 9.784 -2.782 -1.293 538 HA LYS 68 HA LYS 68 7.635 -1.122 -0.950 539 HB2 LYS 68 2HB LYS 68 8.699 -2.553 0.774 540 HB3 LYS 68 1HB LYS 68 10.010 -1.390 0.901 541 HG2 LYS 68 2HG LYS 68 8.579 -0.959 2.711 542 HG3 LYS 68 1HG LYS 68 8.262 0.318 1.537 543 HD2 LYS 68 2HD LYS 68 6.449 -1.503 0.745 544 HD3 LYS 68 1HD LYS 68 6.524 -1.879 2.467 545 HE2 LYS 68 2HE LYS 68 4.790 -0.245 2.074 546 HE3 LYS 68 1HE LYS 68 6.116 0.502 2.968 547 HZ1 LYS 68 3HZ LYS 68 6.947 1.370 0.824 548 HZ2 LYS 68 1HZ LYS 68 5.428 1.983 1.247 549 HZ3 LYS 68 2HZ LYS 68 5.554 0.767 0.065 550 H GLU 69 H GLU 69 10.890 -0.177 -1.646 551 HA GLU 69 HA GLU 69 10.779 2.488 -0.719 552 HB2 GLU 69 2HB GLU 69 12.826 1.108 -1.348 553 HB3 GLU 69 1HB GLU 69 12.444 1.480 -3.021 554 HG2 GLU 69 2HG GLU 69 14.066 3.037 -2.420 555 HG3 GLU 69 1HG GLU 69 12.547 3.925 -2.333 556 H GLN 70 H GLN 70 9.394 0.951 -3.486 557 HA GLN 70 HA GLN 70 9.364 3.156 -5.267 558 HB2 GLN 70 2HB GLN 70 8.951 0.734 -5.866 559 HB3 GLN 70 1HB GLN 70 7.339 0.925 -5.190 560 HG2 GLN 70 2HG GLN 70 7.185 2.947 -6.804 561 HG3 GLN 70 1HG GLN 70 8.523 2.157 -7.632 562 HE21 GLN 70 1HE2 GLN 70 5.864 0.542 -5.976 563 HE22 GLN 70 2HE2 GLN 70 5.169 -0.152 -7.397 564 H GLU 71 H GLU 71 6.886 1.901 -3.025 565 HA GLU 71 HA GLU 71 5.060 4.009 -3.629 566 HB2 GLU 71 2HB GLU 71 5.017 2.507 -1.025 567 HB3 GLU 71 1HB GLU 71 3.668 3.162 -1.940 568 HG2 GLU 71 2HG GLU 71 3.394 0.965 -2.411 569 HG3 GLU 71 1HG GLU 71 4.489 1.400 -3.724 570 H GLU 72 H GLU 72 7.656 3.568 -1.378 571 HA GLU 72 HA GLU 72 7.010 5.659 0.395 572 HB2 GLU 72 2HB GLU 72 9.174 3.795 0.016 573 HB3 GLU 72 1HB GLU 72 9.798 5.394 0.403 574 HG2 GLU 72 2HG GLU 72 9.508 4.155 2.428 575 HG3 GLU 72 1HG GLU 72 8.315 5.450 2.375 576 H GLN 73 H GLN 73 9.155 5.578 -2.447 577 HA GLN 73 HA GLN 73 10.120 8.182 -2.166 578 HB2 GLN 73 2HB GLN 73 10.703 8.079 -4.568 579 HB3 GLN 73 1HB GLN 73 11.237 6.678 -3.654 580 HG2 GLN 73 2HG GLN 73 10.404 5.589 -5.435 581 HG3 GLN 73 1HG GLN 73 8.900 5.741 -4.528 582 HE21 GLN 73 1HE2 GLN 73 7.565 5.731 -6.270 583 HE22 GLN 73 2HE2 GLN 73 7.504 7.013 -7.436 584 H LEU 74 H LEU 74 7.027 7.116 -3.375 585 HA LEU 74 HA LEU 74 6.494 9.756 -4.481 586 HB2 LEU 74 2HB LEU 74 4.473 8.880 -5.378 587 HB3 LEU 74 1HB LEU 74 5.733 7.704 -5.679 588 HG LEU 74 HG LEU 74 4.680 6.770 -3.335 589 HD11 LEU 74 1HD1 LEU 74 2.886 8.436 -3.372 590 HD12 LEU 74 2HD1 LEU 74 2.258 6.799 -3.558 591 HD13 LEU 74 3HD1 LEU 74 2.386 7.857 -4.961 592 HD21 LEU 74 3HD2 LEU 74 5.204 5.432 -5.282 593 HD22 LEU 74 1HD2 LEU 74 3.839 6.127 -6.156 594 HD23 LEU 74 2HD2 LEU 74 3.555 5.101 -4.753 595 H THR 75 H THR 75 5.631 7.768 -1.716 596 HA THR 75 HA THR 75 3.542 9.457 -0.772 597 HB THR 75 HB THR 75 5.194 7.500 0.841 598 HG1 THR 75 HG1 THR 75 4.278 6.295 -0.756 599 HG21 THR 75 3HG2 THR 75 2.378 8.502 1.280 600 HG22 THR 75 1HG2 THR 75 3.799 9.101 2.136 601 HG23 THR 75 2HG2 THR 75 3.297 7.421 2.329 602 H GLU 76 H GLU 76 7.019 9.424 -0.378 603 HA GLU 76 HA GLU 76 7.232 11.057 1.890 604 HB2 GLU 76 2HB GLU 76 9.074 10.575 -0.442 605 HB3 GLU 76 1HB GLU 76 9.511 11.662 0.871 606 HG2 GLU 76 2HG GLU 76 8.586 8.935 1.576 607 HG3 GLU 76 1HG GLU 76 10.192 9.109 0.870 608 H LEU 77 H LEU 77 6.404 11.826 -1.382 609 HA LEU 77 HA LEU 77 7.024 14.610 -1.259 610 HB2 LEU 77 2HB LEU 77 5.560 12.815 -3.117 611 HB3 LEU 77 1HB LEU 77 5.123 14.510 -3.165 612 HG LEU 77 HG LEU 77 6.751 14.107 -4.868 613 HD11 LEU 77 1HD1 LEU 77 8.259 15.418 -2.625 614 HD12 LEU 77 2HD1 LEU 77 6.921 16.197 -3.469 615 HD13 LEU 77 3HD1 LEU 77 8.373 15.735 -4.355 616 HD21 LEU 77 3HD2 LEU 77 8.980 13.229 -4.374 617 HD22 LEU 77 1HD2 LEU 77 7.720 12.056 -3.993 618 HD23 LEU 77 2HD2 LEU 77 8.503 12.962 -2.698 619 H ILE 78 H ILE 78 4.480 12.639 -0.124 620 HA ILE 78 HA ILE 78 2.713 14.935 0.338 621 HB ILE 78 HB ILE 78 2.092 12.037 0.923 622 HG12 ILE 78 2HG1 ILE 78 1.290 13.485 -1.598 623 HG13 ILE 78 1HG1 ILE 78 2.755 12.512 -1.510 624 HG21 ILE 78 1HG2 ILE 78 -0.235 12.784 0.727 625 HG22 ILE 78 2HG2 ILE 78 0.321 14.427 0.411 626 HG23 ILE 78 3HG2 ILE 78 0.628 13.679 1.978 627 HD11 ILE 78 3HD1 ILE 78 -0.037 11.507 -1.002 628 HD12 ILE 78 1HD1 ILE 78 1.439 10.540 -0.999 629 HD13 ILE 78 2HD1 ILE 78 0.879 11.293 -2.492 630 H ALA 79 H ALA 79 4.925 12.813 1.842 631 HA ALA 79 HA ALA 79 4.012 12.846 4.502 632 HB1 ALA 79 1HB ALA 79 6.825 12.549 3.462 633 HB2 ALA 79 2HB ALA 79 6.275 12.133 5.085 634 HB3 ALA 79 3HB ALA 79 5.660 11.245 3.691 635 H SER 80 H SER 80 5.601 15.239 2.605 636 HA SER 80 HA SER 80 6.767 16.730 4.731 637 HB2 SER 80 2HB SER 80 5.912 18.043 2.185 638 HB3 SER 80 1HB SER 80 7.418 18.225 3.089 639 HG SER 80 HG SER 80 7.863 15.987 2.412 640 H LYS 81 H LYS 81 3.604 16.290 3.628 641 HA LYS 81 HA LYS 81 2.620 18.345 5.448 642 HB2 LYS 81 2HB LYS 81 0.871 18.997 3.749 643 HB3 LYS 81 1HB LYS 81 2.502 19.529 3.373 644 HG2 LYS 81 2HG LYS 81 1.792 16.929 2.232 645 HG3 LYS 81 1HG LYS 81 0.826 18.275 1.636 646 HD2 LYS 81 2HD LYS 81 3.840 18.240 1.689 647 HD3 LYS 81 1HD LYS 81 2.869 17.798 0.286 648 HE2 LYS 81 2HE LYS 81 2.902 20.490 1.658 649 HE3 LYS 81 1HE LYS 81 3.651 20.100 0.110 650 HZ1 LYS 81 3HZ LYS 81 1.413 19.567 -0.740 651 HZ2 LYS 81 1HZ LYS 81 1.564 21.183 -0.262 652 HZ3 LYS 81 2HZ LYS 81 0.746 20.084 0.726 653 H LYS 82 H LYS 82 2.804 15.730 6.000 654 HA LYS 82 HA LYS 82 0.535 14.190 5.266 655 HB2 LYS 82 2HB LYS 82 1.284 12.689 7.136 656 HB3 LYS 82 1HB LYS 82 2.497 13.019 5.911 657 HG2 LYS 82 2HG LYS 82 3.614 14.582 7.363 658 HG3 LYS 82 1HG LYS 82 2.338 14.427 8.571 659 HD2 LYS 82 2HD LYS 82 4.030 13.041 9.385 660 HD3 LYS 82 1HD LYS 82 2.935 11.923 8.572 661 HE2 LYS 82 2HE LYS 82 4.374 11.935 6.604 662 HE3 LYS 82 1HE LYS 82 5.461 13.076 7.394 663 HZ1 LYS 82 3HZ LYS 82 5.930 11.406 9.078 664 HZ2 LYS 82 1HZ LYS 82 6.286 10.811 7.534 665 HZ3 LYS 82 2HZ LYS 82 4.877 10.316 8.327 666 H ASP 83 H ASP 83 -0.963 16.073 5.782 667 HA ASP 83 HA ASP 83 -1.749 16.174 8.599 668 HB2 ASP 83 2HB ASP 83 -1.638 18.191 6.915 669 HB3 ASP 83 1HB ASP 83 -3.214 17.601 6.406 670 H LEU 84 H LEU 84 -2.375 14.417 5.852 671 HA LEU 84 HA LEU 84 -5.185 13.939 6.276 672 HB2 LEU 84 2HB LEU 84 -3.320 12.259 4.604 673 HB3 LEU 84 1HB LEU 84 -5.055 12.408 4.448 674 HG LEU 84 HG LEU 84 -4.349 13.621 2.639 675 HD11 LEU 84 1HD1 LEU 84 -4.374 15.700 4.818 676 HD12 LEU 84 2HD1 LEU 84 -5.774 15.073 3.949 677 HD13 LEU 84 3HD1 LEU 84 -4.554 16.016 3.092 678 HD21 LEU 84 3HD2 LEU 84 -1.956 13.396 3.100 679 HD22 LEU 84 1HD2 LEU 84 -2.053 14.734 4.244 680 HD23 LEU 84 2HD2 LEU 84 -2.364 15.015 2.532 681 H PHE 85 H PHE 85 -6.003 11.705 6.723 682 HA PHE 85 HA PHE 85 -4.512 10.578 8.939 683 HB2 PHE 85 2HB PHE 85 -7.153 9.680 7.759 684 HB3 PHE 85 1HB PHE 85 -6.469 9.152 9.291 685 HD1 PHE 85 HD1 PHE 85 -5.703 11.389 10.748 686 HD2 PHE 85 HD2 PHE 85 -8.937 11.080 7.998 687 HE1 PHE 85 HE1 PHE 85 -6.848 13.242 11.890 688 HE2 PHE 85 HE2 PHE 85 -10.086 12.937 9.136 689 HZ PHE 85 HZ PHE 85 -9.043 14.017 11.083 690 H VAL 86 H VAL 86 -2.811 10.172 7.197 691 HA VAL 86 HA VAL 86 -3.249 7.750 5.647 692 HB VAL 86 HB VAL 86 -2.074 9.587 4.561 693 HG11 VAL 86 1HG1 VAL 86 -0.021 9.284 6.745 694 HG12 VAL 86 2HG1 VAL 86 -1.074 10.671 6.466 695 HG13 VAL 86 3HG1 VAL 86 0.181 10.266 5.295 696 HG21 VAL 86 3HG2 VAL 86 -1.483 7.374 3.818 697 HG22 VAL 86 1HG2 VAL 86 -0.288 7.221 5.107 698 HG23 VAL 86 2HG2 VAL 86 -0.041 8.392 3.812 699 H HIS 87 H HIS 87 -2.274 5.818 6.007 700 HA HIS 87 HA HIS 87 -0.197 5.460 7.948 701 HB2 HIS 87 2HB HIS 87 -2.873 5.368 8.898 702 HB3 HIS 87 1HB HIS 87 -2.269 3.712 8.876 703 HD1 HIS 87 HD1 HIS 87 -2.546 6.382 11.113 704 HD2 HIS 87 HD2 HIS 87 0.566 3.808 10.130 705 HE1 HIS 87 HE1 HIS 87 -0.964 6.459 13.067 706 H SER 88 H SER 88 1.012 4.195 6.686 707 HA SER 88 HA SER 88 -0.242 2.003 5.214 708 HB2 SER 88 2HB SER 88 2.370 1.949 4.462 709 HB3 SER 88 1HB SER 88 1.147 2.943 3.667 710 HG SER 88 HG SER 88 3.294 3.854 4.649 711 H ILE 89 H ILE 89 0.522 -0.144 5.395 712 HA ILE 89 HA ILE 89 2.556 -0.870 7.269 713 HB ILE 89 HB ILE 89 0.516 -0.305 8.707 714 HG12 ILE 89 2HG1 ILE 89 1.517 -3.132 9.016 715 HG13 ILE 89 1HG1 ILE 89 2.511 -1.718 9.367 716 HG21 ILE 89 1HG2 ILE 89 -1.147 -2.121 8.942 717 HG22 ILE 89 2HG2 ILE 89 -0.478 -2.871 7.491 718 HG23 ILE 89 3HG2 ILE 89 -1.227 -1.277 7.395 719 HD11 ILE 89 3HD1 ILE 89 1.521 -2.608 11.387 720 HD12 ILE 89 1HD1 ILE 89 -0.091 -2.427 10.696 721 HD13 ILE 89 2HD1 ILE 89 0.887 -1.000 11.042 722 H ASP 90 H ASP 90 3.238 -2.994 6.957 723 HA ASP 90 HA ASP 90 1.682 -4.627 5.065 724 HB2 ASP 90 2HB ASP 90 3.570 -3.445 3.889 725 HB3 ASP 90 1HB ASP 90 4.693 -4.290 4.944 726 H SER 91 H SER 91 2.545 -6.938 5.026 727 HA SER 91 HA SER 91 3.024 -7.731 7.819 728 HB2 SER 91 2HB SER 91 2.145 -9.583 5.613 729 HB3 SER 91 1HB SER 91 1.890 -9.734 7.353 730 HG SER 91 HG SER 91 0.813 -7.557 5.930 731 H GLU 92 H GLU 92 5.204 -7.752 8.084 732 HA GLU 92 HA GLU 92 6.754 -9.403 6.201 733 HB2 GLU 92 2HB GLU 92 8.576 -7.891 7.683 734 HB3 GLU 92 1HB GLU 92 8.121 -7.644 6.004 735 HG2 GLU 92 2HG GLU 92 7.795 -5.558 6.928 736 HG3 GLU 92 1HG GLU 92 6.176 -6.250 6.973 737 H VAL 93 H VAL 93 8.304 -10.820 7.057 738 HA VAL 93 HA VAL 93 7.853 -11.526 9.881 739 HB VAL 93 HB VAL 93 7.051 -13.180 8.176 740 HG11 VAL 93 1HG1 VAL 93 9.974 -13.304 7.507 741 HG12 VAL 93 2HG1 VAL 93 8.614 -12.989 6.428 742 HG13 VAL 93 3HG1 VAL 93 8.845 -14.598 7.113 743 HG21 VAL 93 3HG2 VAL 93 7.490 -13.993 10.375 744 HG22 VAL 93 1HG2 VAL 93 9.225 -14.056 10.065 745 HG23 VAL 93 2HG2 VAL 93 8.137 -15.164 9.229 746 H ILE 94 H ILE 94 10.017 -10.106 7.881 747 HA ILE 94 HA ILE 94 12.196 -10.461 9.715 748 HB ILE 94 HB ILE 94 12.476 -12.442 8.269 749 HG12 ILE 94 2HG1 ILE 94 14.828 -11.913 7.452 750 HG13 ILE 94 1HG1 ILE 94 14.547 -10.260 7.990 751 HG21 ILE 94 1HG2 ILE 94 12.738 -10.462 6.009 752 HG22 ILE 94 2HG2 ILE 94 11.422 -11.614 6.247 753 HG23 ILE 94 3HG2 ILE 94 13.050 -12.195 5.902 754 HD11 ILE 94 3HD1 ILE 94 15.778 -11.521 9.650 755 HD12 ILE 94 1HD1 ILE 94 14.489 -12.723 9.717 756 HD13 ILE 94 2HD1 ILE 94 14.187 -11.075 10.267 757 H THR 95 H THR 95 13.874 -8.900 9.362 758 HA THR 95 HA THR 95 12.936 -6.462 8.208 759 HB THR 95 HB THR 95 14.317 -6.557 10.278 760 HG1 THR 95 HG1 THR 95 16.006 -4.972 8.995 761 HG21 THR 95 3HG2 THR 95 16.766 -6.796 10.044 762 HG22 THR 95 1HG2 THR 95 16.538 -7.270 8.363 763 HG23 THR 95 2HG2 THR 95 15.901 -8.284 9.656 764 H LYS 96 H LYS 96 14.408 -5.157 6.756 765 HA LYS 96 HA LYS 96 15.289 -6.875 4.544 766 HB2 LYS 96 2HB LYS 96 14.871 -4.996 3.069 767 HB3 LYS 96 1HB LYS 96 13.438 -5.292 4.045 768 HG2 LYS 96 2HG LYS 96 13.481 -3.224 4.847 769 HG3 LYS 96 1HG LYS 96 15.165 -3.400 5.344 770 HD2 LYS 96 2HD LYS 96 15.698 -3.040 2.839 771 HD3 LYS 96 1HD LYS 96 14.056 -2.395 2.750 772 HE2 LYS 96 2HE LYS 96 15.730 -0.635 3.110 773 HE3 LYS 96 1HE LYS 96 14.583 -0.745 4.440 774 HZ1 LYS 96 3HZ LYS 96 17.266 -2.008 4.482 775 HZ2 LYS 96 1HZ LYS 96 16.191 -1.849 5.782 776 HZ3 LYS 96 2HZ LYS 96 16.939 -0.481 5.129 777 H LYS 97 H LYS 97 17.185 -6.237 3.353 778 HA LYS 97 HA LYS 97 19.289 -5.301 5.104 779 HB2 LYS 97 2HB LYS 97 20.808 -6.062 3.436 780 HB3 LYS 97 1HB LYS 97 19.514 -7.251 3.503 781 HG2 LYS 97 2HG LYS 97 18.506 -6.289 1.504 782 HG3 LYS 97 1HG LYS 97 19.770 -5.059 1.446 783 HD2 LYS 97 2HD LYS 97 20.318 -8.026 1.331 784 HD3 LYS 97 1HD LYS 97 20.095 -7.018 -0.102 785 HE2 LYS 97 2HE LYS 97 22.184 -6.523 2.017 786 HE3 LYS 97 1HE LYS 97 22.476 -7.399 0.514 787 HZ1 LYS 97 3HZ LYS 97 22.016 -5.462 -0.747 788 HZ2 LYS 97 1HZ LYS 97 23.106 -5.013 0.462 789 HZ3 LYS 97 2HZ LYS 97 21.471 -4.607 0.608 790 H GLU 98 H GLU 98 21.041 -3.938 3.625 791 HA GLU 98 HA GLU 98 19.763 -1.383 3.276 792 HB2 GLU 98 2HB GLU 98 22.620 -2.313 3.020 793 HB3 GLU 98 1HB GLU 98 22.127 -0.664 2.649 794 HG2 GLU 98 2HG GLU 98 21.765 -2.046 5.293 795 HG3 GLU 98 1HG GLU 98 23.016 -0.868 4.913 796 H ALA 99 H ALA 99 19.118 -0.488 1.438 797 HA ALA 99 HA ALA 99 20.227 -1.331 -1.105 798 HB1 ALA 99 1HB ALA 99 18.400 -2.933 -0.758 799 HB2 ALA 99 2HB ALA 99 17.268 -1.600 -0.533 800 HB3 ALA 99 3HB ALA 99 18.048 -1.841 -2.096 801 H GLN 100 H GLN 100 20.954 0.920 -0.602 802 HA GLN 100 HA GLN 100 18.965 3.000 -0.851 803 HB2 GLN 100 2HB GLN 100 21.985 3.196 -0.820 804 HB3 GLN 100 1HB GLN 100 20.864 4.545 -0.697 805 HG2 GLN 100 2HG GLN 100 19.997 3.005 1.341 806 HG3 GLN 100 1HG GLN 100 21.710 2.595 1.332 807 HE21 GLN 100 1HE2 GLN 100 23.231 4.225 1.724 808 HE22 GLN 100 2HE2 GLN 100 22.788 5.696 2.516 809 H GLN 101 H GLN 101 18.858 4.504 -2.576 810 HA GLN 101 HA GLN 101 19.417 3.298 -5.141 811 HB2 GLN 101 2HB GLN 101 17.255 4.452 -4.590 812 HB3 GLN 101 1HB GLN 101 18.135 5.975 -4.576 813 HG2 GLN 101 2HG GLN 101 16.961 5.624 -6.685 814 HG3 GLN 101 1HG GLN 101 18.706 5.698 -6.917 815 HE21 GLN 101 1HE2 GLN 101 19.777 3.931 -7.693 816 HE22 GLN 101 2HE2 GLN 101 18.988 2.488 -8.230 817 H ILE 102 H ILE 102 21.806 3.524 -4.508 818 HA ILE 102 HA ILE 102 22.808 6.141 -5.383 819 HB ILE 102 HB ILE 102 23.725 5.660 -3.241 820 HG12 ILE 102 2HG1 ILE 102 25.872 4.806 -5.192 821 HG13 ILE 102 1HG1 ILE 102 25.299 6.466 -5.058 822 HG21 ILE 102 1HG2 ILE 102 23.230 3.295 -3.095 823 HG22 ILE 102 2HG2 ILE 102 24.926 3.575 -2.708 824 HG23 ILE 102 3HG2 ILE 102 24.476 2.932 -4.289 825 HD11 ILE 102 3HD1 ILE 102 27.377 6.064 -3.828 826 HD12 ILE 102 1HD1 ILE 102 26.543 4.877 -2.828 827 HD13 ILE 102 2HD1 ILE 102 26.060 6.572 -2.771 828 H ARG 103 H ARG 103 23.076 6.112 -7.496 829 HA ARG 103 HA ARG 103 24.651 3.943 -8.675 830 HB2 ARG 103 2HB ARG 103 22.019 3.839 -8.986 831 HB3 ARG 103 1HB ARG 103 22.350 5.035 -10.230 832 HG2 ARG 103 2HG ARG 103 22.398 3.050 -11.401 833 HG3 ARG 103 1HG ARG 103 24.108 3.342 -11.066 834 HD2 ARG 103 2HD ARG 103 23.692 1.915 -8.954 835 HD3 ARG 103 1HD ARG 103 22.239 1.376 -9.796 836 HE ARG 103 HE ARG 103 24.928 1.120 -10.988 837 HH11 ARG 103 1HH1 ARG 103 21.852 -0.280 -10.032 838 HH12 ARG 103 2HH1 ARG 103 22.170 -1.806 -10.787 839 HH21 ARG 103 1HH2 ARG 103 25.351 -0.891 -11.953 840 HH22 ARG 103 2HH2 ARG 103 24.177 -2.164 -11.864 841 H GLU 104 H GLU 104 26.258 4.706 -9.896 842 HA GLU 104 HA GLU 104 26.167 7.535 -10.684 843 HB2 GLU 104 2HB GLU 104 28.609 5.769 -10.630 844 HB3 GLU 104 1HB GLU 104 28.551 7.524 -10.713 845 HG2 GLU 104 2HG GLU 104 27.292 7.183 -8.394 846 HG3 GLU 104 1HG GLU 104 28.274 5.719 -8.391 847 H GLU 105 H GLU 105 25.464 4.655 -11.927 848 HA GLU 105 HA GLU 105 26.614 5.208 -14.571 849 HB2 GLU 105 2HB GLU 105 25.296 2.635 -13.746 850 HB3 GLU 105 1HB GLU 105 26.397 2.915 -15.085 851 HG2 GLU 105 2HG GLU 105 28.147 2.417 -13.832 852 HG3 GLU 105 1HG GLU 105 27.666 3.585 -12.602 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -28.888 -24.509 -5.395 2 HA2 GLY 1 1HA GLY 1 -29.332 -22.141 -5.788 3 HA3 GLY 1 2HA GLY 1 -30.890 -22.362 -5.007 4 H SER 2 H SER 2 -30.556 -21.051 -3.273 5 HA SER 2 HA SER 2 -29.842 -20.370 -1.241 6 HB2 SER 2 2HB SER 2 -28.845 -23.216 -0.995 7 HB3 SER 2 1HB SER 2 -29.115 -22.093 0.336 8 HG SER 2 HG SER 2 -30.966 -23.441 -1.275 9 H HIS 3 H HIS 3 -28.268 -19.237 -2.853 10 HA HIS 3 HA HIS 3 -25.491 -20.010 -2.435 11 HB2 HIS 3 2HB HIS 3 -25.006 -17.954 -3.835 12 HB3 HIS 3 1HB HIS 3 -25.921 -19.214 -4.646 13 HD1 HIS 3 HD1 HIS 3 -28.053 -18.503 -5.739 14 HD2 HIS 3 HD2 HIS 3 -26.678 -15.700 -2.993 15 HE1 HIS 3 HE1 HIS 3 -29.550 -16.504 -6.005 16 H MET 4 H MET 4 -23.917 -18.382 -1.557 17 HA MET 4 HA MET 4 -25.084 -16.333 0.146 18 HB2 MET 4 2HB MET 4 -25.103 -18.630 1.349 19 HB3 MET 4 1HB MET 4 -23.363 -18.413 1.466 20 HG2 MET 4 2HG MET 4 -23.802 -16.233 2.601 21 HG3 MET 4 1HG MET 4 -25.509 -16.666 2.634 22 HE1 MET 4 3HE MET 4 -24.887 -19.980 3.023 23 HE2 MET 4 1HE MET 4 -26.277 -19.107 3.667 24 HE3 MET 4 2HE MET 4 -25.254 -20.054 4.745 25 H LYS 5 H LYS 5 -23.670 -14.710 0.639 26 HA LYS 5 HA LYS 5 -21.116 -14.757 -0.724 27 HB2 LYS 5 2HB LYS 5 -22.668 -12.770 -0.745 28 HB3 LYS 5 1HB LYS 5 -22.315 -12.548 0.962 29 HG2 LYS 5 2HG LYS 5 -19.934 -12.235 0.416 30 HG3 LYS 5 1HG LYS 5 -20.327 -12.406 -1.295 31 HD2 LYS 5 2HD LYS 5 -21.556 -10.321 0.493 32 HD3 LYS 5 1HD LYS 5 -20.116 -10.042 -0.488 33 HE2 LYS 5 2HE LYS 5 -21.296 -9.862 -2.384 34 HE3 LYS 5 1HE LYS 5 -22.353 -11.209 -1.964 35 HZ1 LYS 5 3HZ LYS 5 -22.595 -8.406 -1.025 36 HZ2 LYS 5 1HZ LYS 5 -23.542 -9.684 -0.452 37 HZ3 LYS 5 2HZ LYS 5 -23.642 -9.222 -2.071 38 H THR 6 H THR 6 -20.221 -16.429 0.591 39 HA THR 6 HA THR 6 -19.772 -16.032 3.391 40 HB THR 6 HB THR 6 -18.163 -18.051 2.905 41 HG1 THR 6 HG1 THR 6 -18.515 -17.563 0.522 42 HG21 THR 6 3HG2 THR 6 -20.227 -18.253 4.153 43 HG22 THR 6 1HG2 THR 6 -20.118 -19.573 2.990 44 HG23 THR 6 2HG2 THR 6 -21.171 -18.197 2.664 45 H LYS 7 H LYS 7 -17.447 -16.445 4.195 46 HA LYS 7 HA LYS 7 -15.787 -14.303 3.233 47 HB2 LYS 7 2HB LYS 7 -14.293 -14.926 5.082 48 HB3 LYS 7 1HB LYS 7 -15.955 -14.773 5.637 49 HG2 LYS 7 2HG LYS 7 -16.174 -17.003 6.059 50 HG3 LYS 7 1HG LYS 7 -15.005 -17.468 4.823 51 HD2 LYS 7 2HD LYS 7 -13.194 -16.580 6.267 52 HD3 LYS 7 1HD LYS 7 -14.398 -16.245 7.513 53 HE2 LYS 7 2HE LYS 7 -14.929 -18.580 7.708 54 HE3 LYS 7 1HE LYS 7 -13.899 -18.971 6.332 55 HZ1 LYS 7 3HZ LYS 7 -13.005 -17.924 8.961 56 HZ2 LYS 7 1HZ LYS 7 -11.990 -18.192 7.633 57 HZ3 LYS 7 2HZ LYS 7 -12.774 -19.493 8.369 58 H LYS 8 H LYS 8 -13.405 -14.736 2.917 59 HA LYS 8 HA LYS 8 -12.821 -17.317 1.713 60 HB2 LYS 8 2HB LYS 8 -11.913 -16.221 -0.346 61 HB3 LYS 8 1HB LYS 8 -13.660 -16.143 -0.199 62 HG2 LYS 8 2HG LYS 8 -11.972 -13.866 0.745 63 HG3 LYS 8 1HG LYS 8 -12.331 -14.054 -0.971 64 HD2 LYS 8 2HD LYS 8 -14.410 -13.900 1.212 65 HD3 LYS 8 1HD LYS 8 -13.894 -12.534 0.224 66 HE2 LYS 8 2HE LYS 8 -14.685 -13.633 -1.776 67 HE3 LYS 8 1HE LYS 8 -15.104 -15.075 -0.859 68 HZ1 LYS 8 3HZ LYS 8 -17.022 -13.648 -1.339 69 HZ2 LYS 8 1HZ LYS 8 -16.315 -12.401 -0.440 70 HZ3 LYS 8 2HZ LYS 8 -16.771 -13.845 0.324 71 H GLN 9 H GLN 9 -10.488 -17.442 1.073 72 HA GLN 9 HA GLN 9 -8.912 -16.423 3.264 73 HB2 GLN 9 2HB GLN 9 -7.901 -18.019 0.911 74 HB3 GLN 9 1HB GLN 9 -7.189 -17.889 2.511 75 HG2 GLN 9 2HG GLN 9 -8.147 -19.981 2.570 76 HG3 GLN 9 1HG GLN 9 -9.392 -18.983 3.321 77 HE21 GLN 9 1HE2 GLN 9 -11.068 -20.347 2.789 78 HE22 GLN 9 2HE2 GLN 9 -11.627 -20.561 1.165 79 H GLN 10 H GLN 10 -8.922 -16.109 -0.266 80 HA GLN 10 HA GLN 10 -7.102 -13.821 0.015 81 HB2 GLN 10 2HB GLN 10 -7.636 -15.675 -2.304 82 HB3 GLN 10 1HB GLN 10 -6.790 -14.147 -2.501 83 HG2 GLN 10 2HG GLN 10 -4.910 -15.202 -2.007 84 HG3 GLN 10 1HG GLN 10 -5.521 -15.413 -0.367 85 HE21 GLN 10 1HE2 GLN 10 -6.788 -16.918 -3.280 86 HE22 GLN 10 2HE2 GLN 10 -6.395 -18.539 -2.832 87 H TYR 11 H TYR 11 -7.976 -11.898 -0.148 88 HA TYR 11 HA TYR 11 -10.061 -11.369 -2.089 89 HB2 TYR 11 2HB TYR 11 -11.488 -10.216 -0.376 90 HB3 TYR 11 1HB TYR 11 -11.443 -11.966 -0.223 91 HD1 TYR 11 HD2 TYR 11 -10.123 -13.003 1.628 92 HD2 TYR 11 HD1 TYR 11 -10.723 -8.801 1.371 93 HE1 TYR 11 HE2 TYR 11 -9.487 -12.776 3.994 94 HE2 TYR 11 HE1 TYR 11 -10.087 -8.562 3.732 95 HH TYR 11 HH TYR 11 -8.409 -10.496 5.383 96 H VAL 12 H VAL 12 -10.518 -8.995 -2.222 97 HA VAL 12 HA VAL 12 -8.600 -7.202 -1.063 98 HB VAL 12 HB VAL 12 -7.195 -8.128 -2.816 99 HG11 VAL 12 1HG1 VAL 12 -9.354 -7.292 -4.743 100 HG12 VAL 12 2HG1 VAL 12 -8.943 -8.950 -4.305 101 HG13 VAL 12 3HG1 VAL 12 -7.778 -7.952 -5.175 102 HG21 VAL 12 3HG2 VAL 12 -6.730 -6.052 -4.120 103 HG22 VAL 12 1HG2 VAL 12 -6.843 -5.801 -2.377 104 HG23 VAL 12 2HG2 VAL 12 -8.189 -5.349 -3.423 105 H THR 13 H THR 13 -9.224 -5.069 -1.235 106 HA THR 13 HA THR 13 -11.307 -4.255 -3.047 107 HB THR 13 HB THR 13 -11.865 -4.680 -0.134 108 HG1 THR 13 HG1 THR 13 -12.597 -5.920 -2.212 109 HG21 THR 13 3HG2 THR 13 -12.355 -2.361 -0.288 110 HG22 THR 13 1HG2 THR 13 -13.898 -3.200 -0.446 111 HG23 THR 13 2HG2 THR 13 -13.096 -2.552 -1.876 112 H ILE 14 H ILE 14 -11.023 -2.204 -3.577 113 HA ILE 14 HA ILE 14 -9.380 -0.500 -1.821 114 HB ILE 14 HB ILE 14 -9.618 -0.381 -4.840 115 HG12 ILE 14 2HG1 ILE 14 -7.251 -1.232 -3.157 116 HG13 ILE 14 1HG1 ILE 14 -8.350 -2.354 -3.951 117 HG21 ILE 14 1HG2 ILE 14 -7.807 1.259 -4.713 118 HG22 ILE 14 2HG2 ILE 14 -7.855 1.179 -2.951 119 HG23 ILE 14 3HG2 ILE 14 -9.238 1.810 -3.846 120 HD11 ILE 14 3HD1 ILE 14 -6.349 -2.102 -5.257 121 HD12 ILE 14 1HD1 ILE 14 -6.547 -0.350 -5.290 122 HD13 ILE 14 2HD1 ILE 14 -7.705 -1.385 -6.126 123 H LYS 15 H LYS 15 -10.381 1.254 -1.046 124 HA LYS 15 HA LYS 15 -12.765 2.232 -2.468 125 HB2 LYS 15 2HB LYS 15 -13.197 1.076 -0.256 126 HB3 LYS 15 1HB LYS 15 -12.318 2.388 0.511 127 HG2 LYS 15 2HG LYS 15 -14.402 3.357 -1.260 128 HG3 LYS 15 1HG LYS 15 -15.028 2.303 0.005 129 HD2 LYS 15 2HD LYS 15 -13.189 4.631 0.536 130 HD3 LYS 15 1HD LYS 15 -14.948 4.748 0.596 131 HE2 LYS 15 2HE LYS 15 -14.969 2.992 2.331 132 HE3 LYS 15 1HE LYS 15 -13.207 2.959 2.296 133 HZ1 LYS 15 3HZ LYS 15 -14.754 5.412 2.900 134 HZ2 LYS 15 1HZ LYS 15 -13.104 5.138 3.143 135 HZ3 LYS 15 2HZ LYS 15 -14.241 4.333 4.098 136 H GLY 16 H GLY 16 -12.024 3.966 -3.528 137 HA2 GLY 16 2HA GLY 16 -10.695 6.055 -1.915 138 HA3 GLY 16 1HA GLY 16 -10.175 5.677 -3.551 139 H THR 17 H THR 17 -13.405 6.088 -2.123 140 HA THR 17 HA THR 17 -13.833 8.309 -3.994 141 HB THR 17 HB THR 17 -14.966 6.339 -4.915 142 HG1 THR 17 HG1 THR 17 -16.095 8.177 -5.328 143 HG21 THR 17 3HG2 THR 17 -15.301 5.035 -2.897 144 HG22 THR 17 1HG2 THR 17 -16.852 5.308 -3.690 145 HG23 THR 17 2HG2 THR 17 -16.414 6.250 -2.265 146 H LYS 18 H LYS 18 -14.723 10.087 -3.136 147 HA LYS 18 HA LYS 18 -15.394 11.580 -1.565 148 HB2 LYS 18 2HB LYS 18 -17.361 9.625 -1.766 149 HB3 LYS 18 1HB LYS 18 -17.113 9.790 -0.035 150 HG2 LYS 18 2HG LYS 18 -17.606 12.142 -1.835 151 HG3 LYS 18 1HG LYS 18 -18.904 11.237 -1.062 152 HD2 LYS 18 2HD LYS 18 -18.654 12.576 0.701 153 HD3 LYS 18 1HD LYS 18 -17.108 11.779 0.993 154 HE2 LYS 18 2HE LYS 18 -16.031 13.440 -0.500 155 HE3 LYS 18 1HE LYS 18 -17.579 14.274 -0.635 156 HZ1 LYS 18 3HZ LYS 18 -17.549 14.576 1.783 157 HZ2 LYS 18 1HZ LYS 18 -16.217 15.313 1.033 158 HZ3 LYS 18 2HZ LYS 18 -16.020 13.843 1.855 159 H ASN 19 H ASN 19 -13.018 10.416 -1.000 160 HA ASN 19 HA ASN 19 -12.643 10.948 1.721 161 HB2 ASN 19 2HB ASN 19 -13.822 8.634 1.752 162 HB3 ASN 19 1HB ASN 19 -12.300 8.003 1.134 163 HD21 ASN 19 1HD2 ASN 19 -13.875 9.540 3.849 164 HD22 ASN 19 2HD2 ASN 19 -12.662 9.141 5.020 165 H GLY 20 H GLY 20 -10.422 8.885 1.869 166 HA2 GLY 20 2HA GLY 20 -8.591 10.308 0.057 167 HA3 GLY 20 1HA GLY 20 -8.127 9.526 1.561 168 H LEU 21 H LEU 21 -7.868 7.276 1.622 169 HA LEU 21 HA LEU 21 -8.312 5.662 -0.706 170 HB2 LEU 21 2HB LEU 21 -6.316 6.789 -1.468 171 HB3 LEU 21 1HB LEU 21 -5.497 6.459 0.042 172 HG LEU 21 HG LEU 21 -5.576 4.024 -0.514 173 HD11 LEU 21 1HD1 LEU 21 -7.438 3.951 -2.012 174 HD12 LEU 21 2HD1 LEU 21 -5.997 3.472 -2.909 175 HD13 LEU 21 3HD1 LEU 21 -6.662 5.091 -3.109 176 HD21 LEU 21 3HD2 LEU 21 -4.218 5.839 -2.499 177 HD22 LEU 21 1HD2 LEU 21 -3.806 4.149 -2.212 178 HD23 LEU 21 2HD2 LEU 21 -3.580 5.341 -0.931 179 H THR 22 H THR 22 -9.302 4.144 0.516 180 HA THR 22 HA THR 22 -7.710 2.904 2.676 181 HB THR 22 HB THR 22 -10.569 2.280 2.704 182 HG1 THR 22 HG1 THR 22 -9.718 4.957 2.636 183 HG21 THR 22 3HG2 THR 22 -8.970 1.798 4.530 184 HG22 THR 22 1HG2 THR 22 -10.332 2.785 5.065 185 HG23 THR 22 2HG2 THR 22 -8.760 3.532 4.773 186 H LEU 23 H LEU 23 -6.893 1.003 2.013 187 HA LEU 23 HA LEU 23 -8.636 -0.813 0.536 188 HB2 LEU 23 2HB LEU 23 -6.889 -1.345 -1.086 189 HB3 LEU 23 1HB LEU 23 -7.381 0.332 -1.193 190 HG LEU 23 HG LEU 23 -5.259 0.596 0.448 191 HD11 LEU 23 1HD1 LEU 23 -4.611 -1.699 0.480 192 HD12 LEU 23 2HD1 LEU 23 -3.442 -0.829 -0.513 193 HD13 LEU 23 3HD1 LEU 23 -4.694 -1.806 -1.277 194 HD21 LEU 23 3HD2 LEU 23 -4.008 1.308 -1.504 195 HD22 LEU 23 1HD2 LEU 23 -5.691 1.823 -1.626 196 HD23 LEU 23 2HD2 LEU 23 -5.124 0.434 -2.556 197 H HIS 24 H HIS 24 -7.688 -3.007 0.383 198 HA HIS 24 HA HIS 24 -5.571 -3.739 2.154 199 HB2 HIS 24 2HB HIS 24 -6.801 -4.995 3.778 200 HB3 HIS 24 1HB HIS 24 -7.501 -3.382 3.740 201 HD1 HIS 24 HD1 HIS 24 -9.842 -3.188 2.428 202 HD2 HIS 24 HD2 HIS 24 -8.572 -7.033 3.354 203 HE1 HIS 24 HE1 HIS 24 -11.872 -4.645 2.181 204 H LEU 25 H LEU 25 -4.816 -5.790 1.749 205 HA LEU 25 HA LEU 25 -6.303 -7.446 -0.173 206 HB2 LEU 25 2HB LEU 25 -4.490 -5.999 -1.255 207 HB3 LEU 25 1HB LEU 25 -3.330 -6.968 -0.373 208 HG LEU 25 HG LEU 25 -5.278 -8.434 -2.074 209 HD11 LEU 25 1HD1 LEU 25 -2.968 -6.849 -3.194 210 HD12 LEU 25 2HD1 LEU 25 -4.679 -6.588 -3.533 211 HD13 LEU 25 3HD1 LEU 25 -3.888 -8.071 -4.073 212 HD21 LEU 25 3HD2 LEU 25 -3.381 -9.877 -2.446 213 HD22 LEU 25 1HD2 LEU 25 -3.540 -9.564 -0.717 214 HD23 LEU 25 2HD2 LEU 25 -2.305 -8.726 -1.658 215 H ASP 26 H ASP 26 -6.011 -9.662 0.084 216 HA ASP 26 HA ASP 26 -4.283 -10.492 2.320 217 HB2 ASP 26 2HB ASP 26 -7.177 -10.818 2.002 218 HB3 ASP 26 1HB ASP 26 -6.342 -12.330 2.330 219 H ASP 27 H ASP 27 -2.693 -11.235 0.972 220 HA ASP 27 HA ASP 27 -2.905 -13.901 0.052 221 HB2 ASP 27 2HB ASP 27 -4.039 -12.776 -1.866 222 HB3 ASP 27 1HB ASP 27 -2.577 -11.832 -2.139 223 H ALA 28 H ALA 28 -0.980 -14.673 0.583 224 HA ALA 28 HA ALA 28 1.269 -12.861 0.903 225 HB1 ALA 28 1HB ALA 28 0.703 -14.522 2.637 226 HB2 ALA 28 2HB ALA 28 1.093 -15.811 1.500 227 HB3 ALA 28 3HB ALA 28 2.352 -14.694 2.032 228 H CYS 29 H CYS 29 3.305 -13.177 -0.002 229 HA CYS 29 HA CYS 29 4.806 -13.532 -1.661 230 HB2 CYS 29 2HB CYS 29 3.387 -16.155 -2.099 231 HB3 CYS 29 1HB CYS 29 5.065 -15.774 -2.473 232 HG CYS 29 HG CYS 29 5.566 -15.309 0.384 233 H SER 30 H SER 30 2.821 -11.905 -2.481 234 HA SER 30 HA SER 30 2.594 -12.604 -5.310 235 HB2 SER 30 2HB SER 30 0.332 -11.500 -3.626 236 HB3 SER 30 1HB SER 30 0.283 -11.733 -5.375 237 HG SER 30 HG SER 30 -0.660 -13.459 -4.045 238 H PHE 31 H PHE 31 2.640 -10.848 -6.713 239 HA PHE 31 HA PHE 31 3.739 -8.414 -5.548 240 HB2 PHE 31 2HB PHE 31 3.708 -9.617 -8.290 241 HB3 PHE 31 1HB PHE 31 3.971 -7.885 -8.122 242 HD1 PHE 31 HD2 PHE 31 5.940 -7.058 -6.898 243 HD2 PHE 31 HD1 PHE 31 5.405 -11.190 -7.737 244 HE1 PHE 31 HE2 PHE 31 8.324 -7.455 -6.443 245 HE2 PHE 31 HE1 PHE 31 7.788 -11.597 -7.286 246 HZ PHE 31 HZ PHE 31 9.251 -9.722 -6.638 247 H ASP 32 H ASP 32 2.114 -7.203 -4.769 248 HA ASP 32 HA ASP 32 -0.368 -6.868 -6.185 249 HB2 ASP 32 2HB ASP 32 -0.894 -5.298 -4.323 250 HB3 ASP 32 1HB ASP 32 -0.426 -6.907 -3.783 251 H GLU 33 H GLU 33 1.808 -6.061 -7.750 252 HA GLU 33 HA GLU 33 2.369 -3.317 -7.690 253 HB2 GLU 33 2HB GLU 33 3.104 -3.611 -10.018 254 HB3 GLU 33 1HB GLU 33 3.706 -4.897 -8.976 255 HG2 GLU 33 2HG GLU 33 2.035 -6.411 -9.813 256 HG3 GLU 33 1HG GLU 33 1.292 -5.126 -10.765 257 H LEU 34 H LEU 34 -0.422 -5.037 -8.751 258 HA LEU 34 HA LEU 34 -1.460 -3.074 -10.527 259 HB2 LEU 34 2HB LEU 34 -2.913 -5.220 -8.976 260 HB3 LEU 34 1HB LEU 34 -3.573 -4.309 -10.319 261 HG LEU 34 HG LEU 34 -1.254 -6.237 -10.482 262 HD11 LEU 34 1HD1 LEU 34 -2.784 -7.659 -11.716 263 HD12 LEU 34 2HD1 LEU 34 -4.078 -6.479 -11.519 264 HD13 LEU 34 3HD1 LEU 34 -3.433 -7.323 -10.111 265 HD21 LEU 34 3HD2 LEU 34 -0.994 -4.453 -12.093 266 HD22 LEU 34 1HD2 LEU 34 -2.667 -4.646 -12.621 267 HD23 LEU 34 2HD2 LEU 34 -1.496 -5.931 -12.917 268 H LEU 35 H LEU 35 -1.419 -3.436 -7.089 269 HA LEU 35 HA LEU 35 -3.670 -1.784 -6.519 270 HB2 LEU 35 2HB LEU 35 -1.540 -3.108 -5.004 271 HB3 LEU 35 1HB LEU 35 -2.058 -1.582 -4.309 272 HG LEU 35 HG LEU 35 -4.363 -2.389 -4.202 273 HD11 LEU 35 1HD1 LEU 35 -4.931 -4.682 -4.724 274 HD12 LEU 35 2HD1 LEU 35 -3.278 -4.998 -5.248 275 HD13 LEU 35 3HD1 LEU 35 -4.293 -3.878 -6.157 276 HD21 LEU 35 3HD2 LEU 35 -2.900 -2.758 -2.297 277 HD22 LEU 35 1HD2 LEU 35 -2.376 -4.296 -2.982 278 HD23 LEU 35 2HD2 LEU 35 -4.052 -4.083 -2.472 279 H ASP 36 H ASP 36 -0.306 -1.237 -7.169 280 HA ASP 36 HA ASP 36 -0.068 1.391 -6.222 281 HB2 ASP 36 2HB ASP 36 2.006 0.561 -6.750 282 HB3 ASP 36 1HB ASP 36 1.420 -0.299 -8.168 283 H GLY 37 H GLY 37 -1.293 0.062 -9.232 284 HA2 GLY 37 2HA GLY 37 -1.449 2.352 -10.790 285 HA3 GLY 37 1HA GLY 37 -2.566 1.000 -10.891 286 H LEU 38 H LEU 38 -3.977 1.059 -8.647 287 HA LEU 38 HA LEU 38 -5.682 3.312 -9.006 288 HB2 LEU 38 2HB LEU 38 -5.638 0.997 -7.097 289 HB3 LEU 38 1HB LEU 38 -6.740 2.332 -6.831 290 HG LEU 38 HG LEU 38 -7.984 0.665 -7.956 291 HD11 LEU 38 1HD1 LEU 38 -8.757 1.771 -9.880 292 HD12 LEU 38 2HD1 LEU 38 -7.185 2.509 -10.189 293 HD13 LEU 38 3HD1 LEU 38 -8.155 3.044 -8.816 294 HD21 LEU 38 3HD2 LEU 38 -7.247 -0.289 -10.131 295 HD22 LEU 38 1HD2 LEU 38 -6.235 -0.751 -8.764 296 HD23 LEU 38 2HD2 LEU 38 -5.683 0.489 -9.891 297 H GLN 39 H GLN 39 -3.382 2.340 -6.505 298 HA GLN 39 HA GLN 39 -3.878 4.355 -4.641 299 HB2 GLN 39 2HB GLN 39 -2.513 2.585 -3.928 300 HB3 GLN 39 1HB GLN 39 -1.459 2.705 -5.324 301 HG2 GLN 39 2HG GLN 39 -0.383 4.621 -4.466 302 HG3 GLN 39 1HG GLN 39 -1.601 4.829 -3.206 303 HE21 GLN 39 1HE2 GLN 39 1.149 2.950 -4.258 304 HE22 GLN 39 2HE2 GLN 39 1.482 2.201 -2.732 305 H ASN 40 H ASN 40 -1.563 4.295 -7.327 306 HA ASN 40 HA ASN 40 -0.533 6.893 -6.898 307 HB2 ASN 40 2HB ASN 40 0.007 4.750 -8.612 308 HB3 ASN 40 1HB ASN 40 -0.456 6.069 -9.682 309 HD21 ASN 40 1HD2 ASN 40 2.053 4.644 -8.051 310 HD22 ASN 40 2HD2 ASN 40 3.179 5.965 -8.090 311 H MET 41 H MET 41 -2.943 5.675 -9.215 312 HA MET 41 HA MET 41 -3.479 8.104 -10.483 313 HB2 MET 41 2HB MET 41 -4.188 5.853 -11.287 314 HB3 MET 41 1HB MET 41 -5.438 5.846 -10.052 315 HG2 MET 41 2HG MET 41 -6.456 7.817 -11.053 316 HG3 MET 41 1HG MET 41 -5.195 7.849 -12.284 317 HE1 MET 41 3HE MET 41 -8.195 7.935 -13.129 318 HE2 MET 41 1HE MET 41 -8.237 6.736 -14.422 319 HE3 MET 41 2HE MET 41 -6.868 7.839 -14.285 320 H LEU 42 H LEU 42 -5.073 6.655 -7.641 321 HA LEU 42 HA LEU 42 -7.072 8.628 -7.422 322 HB2 LEU 42 2HB LEU 42 -5.913 6.671 -5.467 323 HB3 LEU 42 1HB LEU 42 -7.142 7.825 -4.982 324 HG LEU 42 HG LEU 42 -7.524 5.877 -7.252 325 HD11 LEU 42 1HD1 LEU 42 -7.186 4.596 -5.241 326 HD12 LEU 42 2HD1 LEU 42 -8.899 4.584 -5.664 327 HD13 LEU 42 3HD1 LEU 42 -8.319 5.621 -4.360 328 HD21 LEU 42 3HD2 LEU 42 -8.947 7.874 -7.289 329 HD22 LEU 42 1HD2 LEU 42 -9.482 7.513 -5.647 330 HD23 LEU 42 2HD2 LEU 42 -9.874 6.409 -6.962 331 H SER 43 H SER 43 -3.792 8.475 -6.166 332 HA SER 43 HA SER 43 -3.969 10.621 -4.356 333 HB2 SER 43 2HB SER 43 -2.027 8.838 -4.991 334 HB3 SER 43 1HB SER 43 -1.404 10.276 -5.796 335 HG SER 43 HG SER 43 -2.297 10.872 -3.317 336 H ILE 44 H ILE 44 -3.444 10.484 -7.820 337 HA ILE 44 HA ILE 44 -2.901 13.324 -8.018 338 HB ILE 44 HB ILE 44 -3.543 11.510 -10.333 339 HG12 ILE 44 2HG1 ILE 44 -0.760 11.888 -9.247 340 HG13 ILE 44 1HG1 ILE 44 -1.773 10.543 -8.737 341 HG21 ILE 44 1HG2 ILE 44 -3.369 13.886 -10.810 342 HG22 ILE 44 2HG2 ILE 44 -2.026 13.007 -11.539 343 HG23 ILE 44 3HG2 ILE 44 -1.773 13.936 -10.060 344 HD11 ILE 44 3HD1 ILE 44 -0.255 9.859 -10.486 345 HD12 ILE 44 1HD1 ILE 44 -0.867 11.128 -11.547 346 HD13 ILE 44 2HD1 ILE 44 -1.919 9.796 -11.068 347 H GLU 45 H GLU 45 -5.546 11.091 -8.490 348 HA GLU 45 HA GLU 45 -7.342 12.717 -9.885 349 HB2 GLU 45 2HB GLU 45 -7.408 10.208 -8.415 350 HB3 GLU 45 1HB GLU 45 -8.915 11.101 -8.274 351 HG2 GLU 45 2HG GLU 45 -7.741 10.828 -10.978 352 HG3 GLU 45 1HG GLU 45 -8.431 9.384 -10.241 353 H GLN 46 H GLN 46 -7.577 11.919 -6.400 354 HA GLN 46 HA GLN 46 -8.241 14.673 -5.812 355 HB2 GLN 46 2HB GLN 46 -10.412 14.048 -4.716 356 HB3 GLN 46 1HB GLN 46 -10.420 13.950 -6.470 357 HG2 GLN 46 2HG GLN 46 -11.256 11.909 -6.254 358 HG3 GLN 46 1HG GLN 46 -9.681 11.403 -5.644 359 HE21 GLN 46 1HE2 GLN 46 -9.374 11.219 -3.417 360 HE22 GLN 46 2HE2 GLN 46 -10.702 11.096 -2.310 361 H TYR 47 H TYR 47 -7.715 15.236 -3.800 362 HA TYR 47 HA TYR 47 -7.174 13.103 -1.848 363 HB2 TYR 47 2HB TYR 47 -5.155 14.129 -1.162 364 HB3 TYR 47 1HB TYR 47 -5.095 14.132 -2.919 365 HD1 TYR 47 HD1 TYR 47 -5.786 16.299 -4.116 366 HD2 TYR 47 HD2 TYR 47 -4.870 16.116 0.034 367 HE1 TYR 47 HE1 TYR 47 -5.407 18.729 -4.101 368 HE2 TYR 47 HE2 TYR 47 -4.488 18.543 0.064 369 HH TYR 47 HH TYR 47 -5.549 20.594 -2.173 370 H THR 48 H THR 48 -8.749 15.982 -2.590 371 HA THR 48 HA THR 48 -9.028 16.810 0.189 372 HB THR 48 HB THR 48 -10.320 18.230 -2.113 373 HG1 THR 48 HG1 THR 48 -8.327 18.260 -2.920 374 HG21 THR 48 3HG2 THR 48 -9.852 20.201 -0.720 375 HG22 THR 48 1HG2 THR 48 -9.075 19.168 0.477 376 HG23 THR 48 2HG2 THR 48 -10.803 18.998 0.156 377 H ASP 49 H ASP 49 -10.351 15.074 0.894 378 HA ASP 49 HA ASP 49 -12.763 14.264 -0.256 379 HB2 ASP 49 2HB ASP 49 -12.204 12.835 1.447 380 HB3 ASP 49 1HB ASP 49 -11.552 14.123 2.453 381 H GLY 50 H GLY 50 -12.145 16.682 2.248 382 HA2 GLY 50 2HA GLY 50 -13.641 18.747 1.637 383 HA3 GLY 50 1HA GLY 50 -14.903 17.609 2.092 384 H LYS 51 H LYS 51 -14.051 16.337 4.249 385 HA LYS 51 HA LYS 51 -13.049 18.340 6.129 386 HB2 LYS 51 2HB LYS 51 -15.650 16.846 6.512 387 HB3 LYS 51 1HB LYS 51 -14.865 17.824 7.744 388 HG2 LYS 51 2HG LYS 51 -15.982 19.582 7.007 389 HG3 LYS 51 1HG LYS 51 -15.121 19.460 5.472 390 HD2 LYS 51 2HD LYS 51 -16.829 17.929 4.629 391 HD3 LYS 51 1HD LYS 51 -17.687 18.028 6.165 392 HE2 LYS 51 2HE LYS 51 -17.925 20.480 5.795 393 HE3 LYS 51 1HE LYS 51 -17.205 20.261 4.203 394 HZ1 LYS 51 3HZ LYS 51 -19.624 20.307 4.107 395 HZ2 LYS 51 1HZ LYS 51 -19.704 18.965 5.135 396 HZ3 LYS 51 2HZ LYS 51 -19.022 18.811 3.597 397 H GLY 52 H GLY 52 -12.067 15.774 4.986 398 HA2 GLY 52 2HA GLY 52 -10.465 14.775 6.829 399 HA3 GLY 52 1HA GLY 52 -11.981 14.081 7.373 400 H GLN 53 H GLN 53 -9.293 13.674 5.435 401 HA GLN 53 HA GLN 53 -10.596 11.522 3.905 402 HB2 GLN 53 2HB GLN 53 -8.706 11.705 2.317 403 HB3 GLN 53 1HB GLN 53 -9.640 13.187 2.425 404 HG2 GLN 53 2HG GLN 53 -7.136 12.817 4.026 405 HG3 GLN 53 1HG GLN 53 -7.082 13.338 2.343 406 HE21 GLN 53 1HE2 GLN 53 -7.797 15.377 1.794 407 HE22 GLN 53 2HE2 GLN 53 -8.117 16.603 2.977 408 H LYS 54 H LYS 54 -9.856 9.463 4.112 409 HA LYS 54 HA LYS 54 -7.653 9.035 6.005 410 HB2 LYS 54 2HB LYS 54 -9.878 8.331 6.830 411 HB3 LYS 54 1HB LYS 54 -10.020 7.243 5.457 412 HG2 LYS 54 2HG LYS 54 -8.212 5.901 6.239 413 HG3 LYS 54 1HG LYS 54 -7.826 7.066 7.508 414 HD2 LYS 54 2HD LYS 54 -10.457 5.602 7.328 415 HD3 LYS 54 1HD LYS 54 -9.081 5.019 8.264 416 HE2 LYS 54 2HE LYS 54 -9.108 7.218 9.480 417 HE3 LYS 54 1HE LYS 54 -10.629 7.573 8.663 418 HZ1 LYS 54 3HZ LYS 54 -11.550 5.545 9.653 419 HZ2 LYS 54 1HZ LYS 54 -11.057 6.659 10.823 420 HZ3 LYS 54 2HZ LYS 54 -10.105 5.306 10.497 421 H ILE 55 H ILE 55 -5.897 8.306 5.127 422 HA ILE 55 HA ILE 55 -6.072 6.602 2.731 423 HB ILE 55 HB ILE 55 -3.743 8.321 3.617 424 HG12 ILE 55 2HG1 ILE 55 -4.789 9.055 1.069 425 HG13 ILE 55 1HG1 ILE 55 -6.127 8.999 2.211 426 HG21 ILE 55 1HG2 ILE 55 -2.726 6.648 2.411 427 HG22 ILE 55 2HG2 ILE 55 -3.106 7.797 1.130 428 HG23 ILE 55 3HG2 ILE 55 -4.131 6.386 1.384 429 HD11 ILE 55 3HD1 ILE 55 -5.162 11.218 2.066 430 HD12 ILE 55 1HD1 ILE 55 -3.591 10.582 2.552 431 HD13 ILE 55 2HD1 ILE 55 -4.948 10.540 3.678 432 H SER 56 H SER 56 -6.561 5.035 4.568 433 HA SER 56 HA SER 56 -4.161 4.090 5.926 434 HB2 SER 56 2HB SER 56 -7.038 3.166 6.140 435 HB3 SER 56 1HB SER 56 -5.699 2.564 7.116 436 HG SER 56 HG SER 56 -5.884 5.292 7.135 437 H VAL 57 H VAL 57 -3.033 3.343 4.115 438 HA VAL 57 HA VAL 57 -4.131 1.277 2.432 439 HB VAL 57 HB VAL 57 -1.272 2.249 2.658 440 HG11 VAL 57 1HG1 VAL 57 -2.650 0.718 0.458 441 HG12 VAL 57 2HG1 VAL 57 -1.486 0.051 1.603 442 HG13 VAL 57 3HG1 VAL 57 -0.978 1.278 0.440 443 HG21 VAL 57 3HG2 VAL 57 -3.449 3.114 0.756 444 HG22 VAL 57 1HG2 VAL 57 -1.766 3.630 0.697 445 HG23 VAL 57 2HG2 VAL 57 -2.776 4.078 2.073 446 H HIS 58 H HIS 58 -4.568 -0.549 3.602 447 HA HIS 58 HA HIS 58 -2.389 -1.623 5.268 448 HB2 HIS 58 2HB HIS 58 -5.332 -2.322 5.258 449 HB3 HIS 58 1HB HIS 58 -4.120 -3.049 6.304 450 HD1 HIS 58 HD1 HIS 58 -6.731 -1.075 6.915 451 HD2 HIS 58 HD2 HIS 58 -2.674 -0.307 7.380 452 HE1 HIS 58 HE1 HIS 58 -6.582 0.757 8.624 453 H VAL 59 H VAL 59 -1.130 -2.863 4.030 454 HA VAL 59 HA VAL 59 -2.413 -4.747 2.181 455 HB VAL 59 HB VAL 59 0.105 -5.053 1.466 456 HG11 VAL 59 1HG1 VAL 59 -0.196 -3.253 -0.203 457 HG12 VAL 59 2HG1 VAL 59 -1.584 -2.672 0.719 458 HG13 VAL 59 3HG1 VAL 59 -1.623 -4.274 -0.019 459 HG21 VAL 59 3HG2 VAL 59 0.135 -2.247 2.578 460 HG22 VAL 59 1HG2 VAL 59 1.416 -3.015 1.640 461 HG23 VAL 59 2HG2 VAL 59 1.016 -3.621 3.248 462 H LYS 60 H LYS 60 -2.906 -6.526 3.349 463 HA LYS 60 HA LYS 60 -0.929 -7.576 5.224 464 HB2 LYS 60 2HB LYS 60 -3.834 -8.250 4.760 465 HB3 LYS 60 1HB LYS 60 -2.803 -9.143 5.869 466 HG2 LYS 60 2HG LYS 60 -2.746 -6.255 6.303 467 HG3 LYS 60 1HG LYS 60 -4.344 -6.978 6.514 468 HD2 LYS 60 2HD LYS 60 -3.283 -7.054 8.633 469 HD3 LYS 60 1HD LYS 60 -3.251 -8.695 7.995 470 HE2 LYS 60 2HE LYS 60 -0.933 -8.408 7.309 471 HE3 LYS 60 1HE LYS 60 -0.958 -6.738 7.868 472 HZ1 LYS 60 3HZ LYS 60 -1.305 -7.522 10.120 473 HZ2 LYS 60 1HZ LYS 60 0.093 -8.223 9.473 474 HZ3 LYS 60 2HZ LYS 60 -1.328 -9.127 9.593 475 H LEU 61 H LEU 61 0.226 -7.921 3.012 476 HA LEU 61 HA LEU 61 -0.594 -10.402 1.728 477 HB2 LEU 61 2HB LEU 61 1.536 -8.365 1.152 478 HB3 LEU 61 1HB LEU 61 1.521 -9.921 0.346 479 HG LEU 61 HG LEU 61 -1.006 -9.144 -0.150 480 HD11 LEU 61 1HD1 LEU 61 -1.036 -6.788 -0.734 481 HD12 LEU 61 2HD1 LEU 61 0.594 -6.594 -0.089 482 HD13 LEU 61 3HD1 LEU 61 -0.740 -7.008 0.990 483 HD21 LEU 61 3HD2 LEU 61 1.422 -8.342 -1.747 484 HD22 LEU 61 1HD2 LEU 61 -0.227 -8.462 -2.358 485 HD23 LEU 61 2HD2 LEU 61 0.612 -9.909 -1.801 486 H GLY 62 H GLY 62 2.537 -9.181 2.855 487 HA2 GLY 62 2HA GLY 62 3.912 -10.272 4.463 488 HA3 GLY 62 1HA GLY 62 3.021 -11.763 4.166 489 H ASN 63 H ASN 63 5.847 -10.202 3.647 490 HA ASN 63 HA ASN 63 7.562 -10.292 2.184 491 HB2 ASN 63 2HB ASN 63 8.419 -12.505 1.736 492 HB3 ASN 63 1HB ASN 63 7.751 -12.457 3.358 493 HD21 ASN 63 1HD2 ASN 63 5.912 -13.672 3.829 494 HD22 ASN 63 2HD2 ASN 63 5.351 -14.924 2.779 495 H ARG 64 H ARG 64 5.473 -9.240 0.933 496 HA ARG 64 HA ARG 64 4.661 -10.497 -1.463 497 HB2 ARG 64 2HB ARG 64 3.886 -8.255 -2.143 498 HB3 ARG 64 1HB ARG 64 3.383 -8.663 -0.510 499 HG2 ARG 64 2HG ARG 64 5.648 -7.361 0.056 500 HG3 ARG 64 1HG ARG 64 5.232 -6.564 -1.464 501 HD2 ARG 64 2HD ARG 64 3.059 -6.902 0.526 502 HD3 ARG 64 1HD ARG 64 4.324 -5.744 0.919 503 HE ARG 64 HE ARG 64 2.661 -5.614 -1.535 504 HH11 ARG 64 1HH1 ARG 64 4.418 -4.042 1.077 505 HH12 ARG 64 2HH1 ARG 64 3.940 -2.446 0.600 506 HH21 ARG 64 1HH2 ARG 64 2.005 -3.498 -2.121 507 HH22 ARG 64 2HH2 ARG 64 2.599 -2.124 -1.209 508 H PHE 65 H PHE 65 7.564 -9.018 -0.552 509 HA PHE 65 HA PHE 65 9.546 -8.690 -1.575 510 HB2 PHE 65 2HB PHE 65 8.293 -10.744 -3.132 511 HB3 PHE 65 1HB PHE 65 9.215 -9.689 -4.201 512 HD1 PHE 65 HD2 PHE 65 11.627 -9.482 -3.965 513 HD2 PHE 65 HD1 PHE 65 9.378 -12.113 -1.485 514 HE1 PHE 65 HE2 PHE 65 13.706 -10.607 -3.287 515 HE2 PHE 65 HE1 PHE 65 11.452 -13.243 -0.802 516 HZ PHE 65 HZ PHE 65 13.616 -12.493 -1.700 517 H LEU 66 H LEU 66 7.025 -6.959 -2.127 518 HA LEU 66 HA LEU 66 7.693 -5.662 -4.600 519 HB2 LEU 66 2HB LEU 66 5.367 -5.786 -3.521 520 HB3 LEU 66 1HB LEU 66 5.929 -4.519 -2.444 521 HG LEU 66 HG LEU 66 6.482 -3.212 -4.603 522 HD11 LEU 66 1HD1 LEU 66 4.586 -5.292 -5.679 523 HD12 LEU 66 2HD1 LEU 66 6.255 -5.020 -6.181 524 HD13 LEU 66 3HD1 LEU 66 5.025 -3.799 -6.510 525 HD21 LEU 66 3HD2 LEU 66 3.620 -3.755 -3.826 526 HD22 LEU 66 1HD2 LEU 66 4.194 -2.358 -4.739 527 HD23 LEU 66 2HD2 LEU 66 4.702 -2.588 -3.066 528 H TYR 67 H TYR 67 8.561 -3.577 -4.807 529 HA TYR 67 HA TYR 67 10.713 -3.030 -3.059 530 HB2 TYR 67 2HB TYR 67 9.608 -1.059 -5.047 531 HB3 TYR 67 1HB TYR 67 11.281 -1.289 -4.542 532 HD1 TYR 67 HD1 TYR 67 12.110 -3.847 -4.987 533 HD2 TYR 67 HD2 TYR 67 9.099 -1.779 -7.177 534 HE1 TYR 67 HE1 TYR 67 12.465 -5.358 -6.892 535 HE2 TYR 67 HE2 TYR 67 9.447 -3.285 -9.089 536 HH TYR 67 HH TYR 67 11.122 -6.175 -8.878 537 H LYS 68 H LYS 68 10.371 -2.357 -1.058 538 HA LYS 68 HA LYS 68 8.135 -0.956 -0.126 539 HB2 LYS 68 2HB LYS 68 9.890 -2.287 1.202 540 HB3 LYS 68 1HB LYS 68 10.867 -0.826 1.154 541 HG2 LYS 68 2HG LYS 68 8.067 -0.624 2.153 542 HG3 LYS 68 1HG LYS 68 9.286 -1.363 3.193 543 HD2 LYS 68 2HD LYS 68 9.846 1.264 1.883 544 HD3 LYS 68 1HD LYS 68 8.830 1.206 3.322 545 HE2 LYS 68 2HE LYS 68 10.570 0.320 4.638 546 HE3 LYS 68 1HE LYS 68 11.537 -0.091 3.224 547 HZ1 LYS 68 3HZ LYS 68 12.149 2.093 2.884 548 HZ2 LYS 68 1HZ LYS 68 12.150 1.983 4.577 549 HZ3 LYS 68 2HZ LYS 68 10.849 2.724 3.784 550 H GLU 69 H GLU 69 11.309 0.149 -1.171 551 HA GLU 69 HA GLU 69 11.043 2.851 -0.516 552 HB2 GLU 69 2HB GLU 69 12.737 1.317 -2.445 553 HB3 GLU 69 1HB GLU 69 12.732 3.074 -2.522 554 HG2 GLU 69 2HG GLU 69 14.539 1.943 -1.114 555 HG3 GLU 69 1HG GLU 69 13.663 3.295 -0.403 556 H GLN 70 H GLN 70 9.652 1.015 -3.100 557 HA GLN 70 HA GLN 70 9.166 3.115 -4.928 558 HB2 GLN 70 2HB GLN 70 8.910 0.918 -5.765 559 HB3 GLN 70 1HB GLN 70 7.838 0.455 -4.454 560 HG2 GLN 70 2HG GLN 70 6.470 2.514 -5.649 561 HG3 GLN 70 1HG GLN 70 7.236 1.702 -7.014 562 HE21 GLN 70 1HE2 GLN 70 4.981 1.382 -4.380 563 HE22 GLN 70 2HE2 GLN 70 4.225 -0.065 -4.941 564 H GLU 71 H GLU 71 7.406 1.850 -2.167 565 HA GLU 71 HA GLU 71 5.095 3.489 -2.497 566 HB2 GLU 71 2HB GLU 71 6.056 2.315 0.110 567 HB3 GLU 71 1HB GLU 71 4.400 2.658 -0.381 568 HG2 GLU 71 2HG GLU 71 5.780 0.749 -2.115 569 HG3 GLU 71 1HG GLU 71 5.603 0.208 -0.445 570 H GLU 72 H GLU 72 8.098 3.690 -0.704 571 HA GLU 72 HA GLU 72 7.533 5.988 0.810 572 HB2 GLU 72 2HB GLU 72 10.230 5.040 -0.169 573 HB3 GLU 72 1HB GLU 72 9.932 6.124 1.182 574 HG2 GLU 72 2HG GLU 72 8.678 3.432 1.221 575 HG3 GLU 72 1HG GLU 72 10.405 3.567 1.548 576 H GLN 73 H GLN 73 9.217 5.627 -2.309 577 HA GLN 73 HA GLN 73 9.826 8.349 -2.616 578 HB2 GLN 73 2HB GLN 73 10.204 7.844 -4.990 579 HB3 GLN 73 1HB GLN 73 10.971 6.674 -3.929 580 HG2 GLN 73 2HG GLN 73 10.052 5.123 -5.216 581 HG3 GLN 73 1HG GLN 73 8.527 5.532 -4.433 582 HE21 GLN 73 1HE2 GLN 73 7.250 5.099 -6.152 583 HE22 GLN 73 2HE2 GLN 73 7.260 6.016 -7.621 584 H LEU 74 H LEU 74 6.840 6.620 -3.320 585 HA LEU 74 HA LEU 74 5.824 8.865 -4.841 586 HB2 LEU 74 2HB LEU 74 3.825 7.607 -5.186 587 HB3 LEU 74 1HB LEU 74 5.193 6.541 -5.430 588 HG LEU 74 HG LEU 74 4.640 5.968 -2.853 589 HD11 LEU 74 1HD1 LEU 74 2.735 7.459 -2.694 590 HD12 LEU 74 2HD1 LEU 74 2.192 5.783 -2.617 591 HD13 LEU 74 3HD1 LEU 74 1.996 6.704 -4.107 592 HD21 LEU 74 3HD2 LEU 74 4.878 4.340 -4.625 593 HD22 LEU 74 1HD2 LEU 74 3.314 4.799 -5.297 594 HD23 LEU 74 2HD2 LEU 74 3.400 4.016 -3.718 595 H THR 75 H THR 75 5.561 7.600 -1.579 596 HA THR 75 HA THR 75 3.454 9.425 -0.861 597 HB THR 75 HB THR 75 3.857 7.157 0.238 598 HG1 THR 75 HG1 THR 75 2.440 8.688 1.153 599 HG21 THR 75 3HG2 THR 75 5.830 8.652 1.945 600 HG22 THR 75 1HG2 THR 75 6.338 7.654 0.583 601 HG23 THR 75 2HG2 THR 75 5.475 6.925 1.934 602 H GLU 76 H GLU 76 6.812 9.642 -1.227 603 HA GLU 76 HA GLU 76 7.562 11.422 0.782 604 HB2 GLU 76 2HB GLU 76 8.611 10.588 -1.837 605 HB3 GLU 76 1HB GLU 76 9.162 12.164 -1.280 606 HG2 GLU 76 2HG GLU 76 9.274 9.863 0.599 607 HG3 GLU 76 1HG GLU 76 10.476 9.978 -0.685 608 H LEU 77 H LEU 77 6.015 12.024 -2.323 609 HA LEU 77 HA LEU 77 6.355 14.819 -2.375 610 HB2 LEU 77 2HB LEU 77 4.546 12.879 -3.707 611 HB3 LEU 77 1HB LEU 77 4.042 14.557 -3.704 612 HG LEU 77 HG LEU 77 5.207 14.035 -5.760 613 HD11 LEU 77 1HD1 LEU 77 6.977 15.742 -4.024 614 HD12 LEU 77 2HD1 LEU 77 5.457 16.282 -4.735 615 HD13 LEU 77 3HD1 LEU 77 6.805 15.820 -5.774 616 HD21 LEU 77 3HD2 LEU 77 6.575 12.183 -4.977 617 HD22 LEU 77 1HD2 LEU 77 7.541 13.287 -4.001 618 HD23 LEU 77 2HD2 LEU 77 7.577 13.405 -5.761 619 H ILE 78 H ILE 78 4.098 12.765 -0.721 620 HA ILE 78 HA ILE 78 2.559 15.081 0.203 621 HB ILE 78 HB ILE 78 1.897 12.226 0.871 622 HG12 ILE 78 2HG1 ILE 78 2.217 12.387 -1.598 623 HG13 ILE 78 1HG1 ILE 78 0.562 12.012 -1.132 624 HG21 ILE 78 1HG2 ILE 78 -0.394 13.085 0.957 625 HG22 ILE 78 2HG2 ILE 78 0.191 14.688 0.511 626 HG23 ILE 78 3HG2 ILE 78 0.674 13.967 2.048 627 HD11 ILE 78 3HD1 ILE 78 0.653 13.614 -2.963 628 HD12 ILE 78 1HD1 ILE 78 1.576 14.725 -1.952 629 HD13 ILE 78 2HD1 ILE 78 -0.087 14.319 -1.525 630 H ALA 79 H ALA 79 5.175 13.227 1.122 631 HA ALA 79 HA ALA 79 4.716 12.826 3.879 632 HB1 ALA 79 1HB ALA 79 6.446 11.623 2.678 633 HB2 ALA 79 2HB ALA 79 7.328 13.126 2.414 634 HB3 ALA 79 3HB ALA 79 7.131 12.493 4.049 635 H SER 80 H SER 80 5.787 15.581 2.073 636 HA SER 80 HA SER 80 6.834 17.019 4.315 637 HB2 SER 80 2HB SER 80 5.940 18.492 1.899 638 HB3 SER 80 1HB SER 80 7.478 18.564 2.761 639 HG SER 80 HG SER 80 7.876 16.408 1.840 640 H LYS 81 H LYS 81 3.745 16.187 3.452 641 HA LYS 81 HA LYS 81 2.591 18.141 5.240 642 HB2 LYS 81 2HB LYS 81 0.792 18.680 3.477 643 HB3 LYS 81 1HB LYS 81 2.346 19.487 3.339 644 HG2 LYS 81 2HG LYS 81 2.996 17.684 1.692 645 HG3 LYS 81 1HG LYS 81 1.298 17.200 1.692 646 HD2 LYS 81 2HD LYS 81 0.600 19.255 0.782 647 HD3 LYS 81 1HD LYS 81 2.135 20.032 1.161 648 HE2 LYS 81 2HE LYS 81 3.187 18.359 -0.456 649 HE3 LYS 81 1HE LYS 81 1.542 18.026 -0.994 650 HZ1 LYS 81 3HZ LYS 81 1.282 20.331 -1.593 651 HZ2 LYS 81 1HZ LYS 81 2.653 19.703 -2.360 652 HZ3 LYS 81 2HZ LYS 81 2.826 20.702 -1.008 653 H LYS 82 H LYS 82 2.927 15.368 5.431 654 HA LYS 82 HA LYS 82 0.465 14.067 4.687 655 HB2 LYS 82 2HB LYS 82 3.058 13.234 5.603 656 HB3 LYS 82 1HB LYS 82 1.820 12.499 6.613 657 HG2 LYS 82 2HG LYS 82 0.686 11.746 4.501 658 HG3 LYS 82 1HG LYS 82 2.116 12.291 3.626 659 HD2 LYS 82 2HD LYS 82 2.425 10.414 5.928 660 HD3 LYS 82 1HD LYS 82 1.878 9.791 4.373 661 HE2 LYS 82 2HE LYS 82 3.904 11.009 3.390 662 HE3 LYS 82 1HE LYS 82 4.478 11.129 5.050 663 HZ1 LYS 82 3HZ LYS 82 5.446 9.198 4.221 664 HZ2 LYS 82 1HZ LYS 82 4.036 8.699 3.426 665 HZ3 LYS 82 2HZ LYS 82 4.130 8.624 5.112 666 H ASP 83 H ASP 83 -0.678 15.886 5.835 667 HA ASP 83 HA ASP 83 -0.955 15.440 8.719 668 HB2 ASP 83 2HB ASP 83 -0.935 17.743 7.165 669 HB3 ASP 83 1HB ASP 83 -2.636 17.518 7.557 670 H LEU 84 H LEU 84 -1.981 13.749 6.432 671 HA LEU 84 HA LEU 84 -4.864 13.893 6.933 672 HB2 LEU 84 2HB LEU 84 -3.392 12.182 4.923 673 HB3 LEU 84 1HB LEU 84 -5.124 12.411 5.028 674 HG LEU 84 HG LEU 84 -4.629 13.774 3.259 675 HD11 LEU 84 1HD1 LEU 84 -4.181 15.618 5.597 676 HD12 LEU 84 2HD1 LEU 84 -5.740 15.145 4.922 677 HD13 LEU 84 3HD1 LEU 84 -4.620 16.112 3.961 678 HD21 LEU 84 3HD2 LEU 84 -2.225 13.384 3.300 679 HD22 LEU 84 1HD2 LEU 84 -2.049 14.567 4.599 680 HD23 LEU 84 2HD2 LEU 84 -2.593 15.085 3.002 681 H PHE 85 H PHE 85 -5.825 11.472 6.813 682 HA PHE 85 HA PHE 85 -4.608 10.133 9.092 683 HB2 PHE 85 2HB PHE 85 -7.246 9.812 7.669 684 HB3 PHE 85 1HB PHE 85 -6.711 8.687 8.911 685 HD1 PHE 85 HD2 PHE 85 -7.706 12.162 8.233 686 HD2 PHE 85 HD1 PHE 85 -6.762 9.275 11.214 687 HE1 PHE 85 HE2 PHE 85 -8.598 13.666 9.967 688 HE2 PHE 85 HE1 PHE 85 -7.649 10.770 12.953 689 HZ PHE 85 HZ PHE 85 -8.569 12.968 12.327 690 H VAL 86 H VAL 86 -2.765 9.663 7.634 691 HA VAL 86 HA VAL 86 -3.209 7.427 5.804 692 HB VAL 86 HB VAL 86 -1.901 9.214 4.867 693 HG11 VAL 86 1HG1 VAL 86 -1.112 10.332 6.812 694 HG12 VAL 86 2HG1 VAL 86 0.301 9.840 5.879 695 HG13 VAL 86 3HG1 VAL 86 -0.171 8.926 7.311 696 HG21 VAL 86 3HG2 VAL 86 -0.079 6.919 5.587 697 HG22 VAL 86 1HG2 VAL 86 0.165 8.057 4.263 698 HG23 VAL 86 2HG2 VAL 86 -1.212 6.956 4.239 699 H HIS 87 H HIS 87 -2.383 5.417 6.119 700 HA HIS 87 HA HIS 87 -0.429 4.841 8.143 701 HB2 HIS 87 2HB HIS 87 -2.884 5.042 9.204 702 HB3 HIS 87 1HB HIS 87 -2.973 3.378 8.638 703 HD1 HIS 87 HD1 HIS 87 -2.774 4.567 11.669 704 HD2 HIS 87 HD2 HIS 87 0.151 2.551 9.511 705 HE1 HIS 87 HE1 HIS 87 -1.215 3.595 13.388 706 H SER 88 H SER 88 0.798 3.498 6.976 707 HA SER 88 HA SER 88 -0.537 1.384 5.419 708 HB2 SER 88 2HB SER 88 0.750 3.065 4.072 709 HB3 SER 88 1HB SER 88 2.209 2.566 4.927 710 HG SER 88 HG SER 88 1.401 1.525 2.757 711 H ILE 89 H ILE 89 0.291 -0.727 5.546 712 HA ILE 89 HA ILE 89 2.634 -1.388 7.021 713 HB ILE 89 HB ILE 89 1.215 -0.794 8.929 714 HG12 ILE 89 2HG1 ILE 89 1.617 -3.784 8.762 715 HG13 ILE 89 1HG1 ILE 89 2.893 -2.621 9.105 716 HG21 ILE 89 1HG2 ILE 89 -0.977 -1.202 8.038 717 HG22 ILE 89 2HG2 ILE 89 -0.757 -2.180 9.488 718 HG23 ILE 89 3HG2 ILE 89 -0.641 -2.928 7.895 719 HD11 ILE 89 3HD1 ILE 89 1.774 -1.968 11.150 720 HD12 ILE 89 1HD1 ILE 89 2.050 -3.709 11.123 721 HD13 ILE 89 2HD1 ILE 89 0.440 -3.066 10.792 722 H ASP 90 H ASP 90 3.244 -3.482 6.689 723 HA ASP 90 HA ASP 90 1.390 -5.238 5.219 724 HB2 ASP 90 2HB ASP 90 3.031 -4.344 3.641 725 HB3 ASP 90 1HB ASP 90 4.351 -4.788 4.710 726 H SER 91 H SER 91 2.215 -7.581 5.322 727 HA SER 91 HA SER 91 2.674 -8.208 8.107 728 HB2 SER 91 2HB SER 91 2.620 -10.284 5.940 729 HB3 SER 91 1HB SER 91 1.999 -10.376 7.587 730 HG SER 91 HG SER 91 0.761 -9.556 5.308 731 H GLU 92 H GLU 92 4.794 -7.108 8.034 732 HA GLU 92 HA GLU 92 6.972 -8.337 6.629 733 HB2 GLU 92 2HB GLU 92 8.146 -6.780 8.564 734 HB3 GLU 92 1HB GLU 92 7.659 -6.214 6.972 735 HG2 GLU 92 2HG GLU 92 5.785 -5.145 7.771 736 HG3 GLU 92 1HG GLU 92 5.686 -6.164 9.207 737 H VAL 93 H VAL 93 7.544 -10.346 7.211 738 HA VAL 93 HA VAL 93 7.697 -11.011 10.064 739 HB VAL 93 HB VAL 93 6.455 -12.515 8.438 740 HG11 VAL 93 1HG1 VAL 93 9.254 -13.134 7.514 741 HG12 VAL 93 2HG1 VAL 93 7.937 -12.464 6.552 742 HG13 VAL 93 3HG1 VAL 93 7.836 -14.120 7.153 743 HG21 VAL 93 3HG2 VAL 93 7.085 -13.303 10.630 744 HG22 VAL 93 1HG2 VAL 93 8.703 -13.708 10.052 745 HG23 VAL 93 2HG2 VAL 93 7.304 -14.593 9.449 746 H ILE 94 H ILE 94 9.574 -9.661 7.833 747 HA ILE 94 HA ILE 94 12.045 -11.084 8.508 748 HB ILE 94 HB ILE 94 11.664 -8.833 6.523 749 HG12 ILE 94 2HG1 ILE 94 10.344 -10.812 5.872 750 HG13 ILE 94 1HG1 ILE 94 11.689 -10.536 4.772 751 HG21 ILE 94 1HG2 ILE 94 13.936 -10.794 6.820 752 HG22 ILE 94 2HG2 ILE 94 13.954 -9.120 7.375 753 HG23 ILE 94 3HG2 ILE 94 13.821 -9.477 5.654 754 HD11 ILE 94 3HD1 ILE 94 12.960 -12.294 5.967 755 HD12 ILE 94 1HD1 ILE 94 11.484 -12.880 5.198 756 HD13 ILE 94 2HD1 ILE 94 11.524 -12.613 6.939 757 H THR 95 H THR 95 13.407 -10.270 9.978 758 HA THR 95 HA THR 95 12.772 -7.794 11.296 759 HB THR 95 HB THR 95 15.282 -9.341 11.831 760 HG1 THR 95 HG1 THR 95 14.175 -10.973 12.718 761 HG21 THR 95 3HG2 THR 95 13.284 -7.936 13.617 762 HG22 THR 95 1HG2 THR 95 14.841 -7.290 13.103 763 HG23 THR 95 2HG2 THR 95 14.778 -8.705 14.149 764 H LYS 96 H LYS 96 13.102 -6.459 9.371 765 HA LYS 96 HA LYS 96 15.831 -6.072 8.464 766 HB2 LYS 96 2HB LYS 96 13.840 -5.986 6.924 767 HB3 LYS 96 1HB LYS 96 13.355 -4.499 7.728 768 HG2 LYS 96 2HG LYS 96 14.488 -3.936 5.695 769 HG3 LYS 96 1HG LYS 96 15.526 -3.493 7.053 770 HD2 LYS 96 2HD LYS 96 16.961 -5.318 6.690 771 HD3 LYS 96 1HD LYS 96 15.795 -6.133 5.647 772 HE2 LYS 96 2HE LYS 96 16.068 -4.293 4.001 773 HE3 LYS 96 1HE LYS 96 17.337 -3.616 5.024 774 HZ1 LYS 96 3HZ LYS 96 17.439 -6.373 3.937 775 HZ2 LYS 96 1HZ LYS 96 18.699 -5.489 4.643 776 HZ3 LYS 96 2HZ LYS 96 18.094 -5.047 3.126 777 H LYS 97 H LYS 97 17.171 -4.522 9.136 778 HA LYS 97 HA LYS 97 16.512 -2.930 11.406 779 HB2 LYS 97 2HB LYS 97 18.789 -2.047 11.188 780 HB3 LYS 97 1HB LYS 97 18.782 -3.799 11.060 781 HG2 LYS 97 2HG LYS 97 19.261 -3.775 8.795 782 HG3 LYS 97 1HG LYS 97 18.690 -2.116 8.592 783 HD2 LYS 97 2HD LYS 97 20.640 -1.437 10.088 784 HD3 LYS 97 1HD LYS 97 21.251 -3.075 9.847 785 HE2 LYS 97 2HE LYS 97 21.584 -2.743 7.563 786 HE3 LYS 97 1HE LYS 97 20.496 -1.360 7.508 787 HZ1 LYS 97 3HZ LYS 97 23.198 -1.446 8.733 788 HZ2 LYS 97 1HZ LYS 97 22.138 -0.128 8.852 789 HZ3 LYS 97 2HZ LYS 97 22.738 -0.601 7.344 790 H GLU 98 H GLU 98 16.492 -0.630 11.525 791 HA GLU 98 HA GLU 98 15.179 0.594 9.273 792 HB2 GLU 98 2HB GLU 98 15.490 1.144 12.106 793 HB3 GLU 98 1HB GLU 98 15.703 2.590 11.135 794 HG2 GLU 98 2HG GLU 98 13.519 1.918 9.989 795 HG3 GLU 98 1HG GLU 98 13.303 0.819 11.351 796 H ALA 99 H ALA 99 16.066 1.838 7.770 797 HA ALA 99 HA ALA 99 18.782 2.879 8.235 798 HB1 ALA 99 1HB ALA 99 18.780 1.004 6.631 799 HB2 ALA 99 2HB ALA 99 17.657 1.899 5.608 800 HB3 ALA 99 3HB ALA 99 19.284 2.521 5.885 801 H GLN 100 H GLN 100 18.059 4.894 8.882 802 HA GLN 100 HA GLN 100 16.239 6.381 7.195 803 HB2 GLN 100 2HB GLN 100 17.709 7.090 9.740 804 HB3 GLN 100 1HB GLN 100 16.671 8.216 8.876 805 HG2 GLN 100 2HG GLN 100 15.828 5.594 10.093 806 HG3 GLN 100 1HG GLN 100 15.478 7.205 10.720 807 HE21 GLN 100 1HE2 GLN 100 13.655 5.065 9.910 808 HE22 GLN 100 2HE2 GLN 100 12.651 5.742 8.669 809 H GLN 101 H GLN 101 16.754 8.031 5.846 810 HA GLN 101 HA GLN 101 19.521 8.171 5.030 811 HB2 GLN 101 2HB GLN 101 17.624 8.004 3.393 812 HB3 GLN 101 1HB GLN 101 17.151 9.631 3.857 813 HG2 GLN 101 2HG GLN 101 18.513 9.402 1.741 814 HG3 GLN 101 1HG GLN 101 19.073 10.585 2.921 815 HE21 GLN 101 1HE2 GLN 101 21.153 10.524 2.036 816 HE22 GLN 101 2HE2 GLN 101 22.229 9.196 2.320 817 H ILE 102 H ILE 102 20.193 9.130 7.051 818 HA ILE 102 HA ILE 102 19.835 12.053 7.036 819 HB ILE 102 HB ILE 102 18.870 11.350 9.069 820 HG12 ILE 102 2HG1 ILE 102 21.740 11.958 9.811 821 HG13 ILE 102 1HG1 ILE 102 20.598 13.172 9.253 822 HG21 ILE 102 1HG2 ILE 102 19.909 9.761 10.619 823 HG22 ILE 102 2HG2 ILE 102 21.238 9.527 9.487 824 HG23 ILE 102 3HG2 ILE 102 19.603 9.029 9.044 825 HD11 ILE 102 3HD1 ILE 102 19.178 12.743 11.173 826 HD12 ILE 102 1HD1 ILE 102 20.812 13.168 11.676 827 HD13 ILE 102 2HD1 ILE 102 20.287 11.487 11.721 828 H ARG 103 H ARG 103 21.573 12.913 6.150 829 HA ARG 103 HA ARG 103 24.192 11.810 6.903 830 HB2 ARG 103 2HB ARG 103 25.044 12.030 4.746 831 HB3 ARG 103 1HB ARG 103 23.420 11.432 4.463 832 HG2 ARG 103 2HG ARG 103 23.919 14.370 4.430 833 HG3 ARG 103 1HG ARG 103 24.385 13.390 3.042 834 HD2 ARG 103 2HD ARG 103 22.260 13.955 2.424 835 HD3 ARG 103 1HD ARG 103 21.932 12.463 3.302 836 HE ARG 103 HE ARG 103 21.806 14.719 5.033 837 HH11 ARG 103 1HH1 ARG 103 20.027 13.078 2.492 838 HH12 ARG 103 2HH1 ARG 103 18.474 13.563 3.095 839 HH21 ARG 103 1HH2 ARG 103 19.749 15.377 5.810 840 HH22 ARG 103 2HH2 ARG 103 18.315 14.861 4.975 841 H GLU 104 H GLU 104 25.807 13.238 7.374 842 HA GLU 104 HA GLU 104 24.936 15.931 8.013 843 HB2 GLU 104 2HB GLU 104 27.556 14.523 8.570 844 HB3 GLU 104 1HB GLU 104 27.117 16.115 9.174 845 HG2 GLU 104 2HG GLU 104 26.706 14.722 10.975 846 HG3 GLU 104 1HG GLU 104 25.113 14.924 10.252 847 H GLU 105 H GLU 105 25.871 14.584 5.317 848 HA GLU 105 HA GLU 105 27.940 16.394 4.432 849 HB2 GLU 105 2HB GLU 105 26.302 14.530 2.724 850 HB3 GLU 105 1HB GLU 105 27.895 15.184 2.384 851 HG2 GLU 105 2HG GLU 105 28.914 13.786 3.999 852 HG3 GLU 105 1HG GLU 105 27.352 13.309 4.665
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