NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
282780 | 2kt9 | 16691 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 0.834 -35.603 -15.266 2 H2 MET 1 2H MET 1 0.042 -34.751 -14.038 3 H3 MET 1 3H MET 1 0.765 -36.242 -13.700 4 HA MET 1 HA MET 1 2.946 -35.324 -14.165 5 HB2 MET 1 2HB MET 1 1.455 -32.697 -14.435 6 HB3 MET 1 3HB MET 1 3.201 -32.903 -14.491 7 HG2 MET 1 2HG MET 1 2.974 -34.235 -16.532 8 HG3 MET 1 3HG MET 1 1.225 -34.022 -16.472 9 HE1 MET 1 3HE MET 1 2.860 -33.346 -19.061 10 HE2 MET 1 1HE MET 1 2.206 -31.770 -19.512 11 HE3 MET 1 2HE MET 1 1.127 -33.039 -18.934 12 H ALA 2 H ALA 2 4.083 -35.021 -12.292 13 HA ALA 2 HA ALA 2 2.696 -34.684 -9.826 14 HB1 ALA 2 3HB ALA 2 4.897 -34.785 -8.785 15 HB2 ALA 2 1HB ALA 2 5.670 -34.571 -10.356 16 HB3 ALA 2 2HB ALA 2 4.738 -36.030 -10.022 17 H ALA 3 H ALA 3 1.617 -32.672 -9.977 18 HA ALA 3 HA ALA 3 3.207 -30.236 -10.260 19 HB1 ALA 3 3HB ALA 3 1.082 -29.072 -10.364 20 HB2 ALA 3 1HB ALA 3 0.222 -30.552 -9.930 21 HB3 ALA 3 2HB ALA 3 1.076 -30.445 -11.469 22 H SER 4 H SER 4 3.701 -28.847 -8.642 23 HA SER 4 HA SER 4 2.857 -29.551 -5.906 24 HB2 SER 4 2HB SER 4 4.814 -28.261 -5.148 25 HB3 SER 4 3HB SER 4 5.291 -29.514 -6.295 26 HG SER 4 HG SER 4 6.033 -28.017 -7.555 27 H THR 5 H THR 5 2.353 -27.814 -4.401 28 HA THR 5 HA THR 5 0.756 -25.728 -5.652 29 HB THR 5 HB THR 5 1.142 -26.419 -2.723 30 HG1 THR 5 HG1 THR 5 -1.266 -26.944 -3.271 31 HG21 THR 5 3HG2 THR 5 -0.826 -24.978 -2.325 32 HG22 THR 5 1HG2 THR 5 -0.795 -24.483 -4.020 33 HG23 THR 5 2HG2 THR 5 0.543 -24.059 -2.951 34 H VAL 6 H VAL 6 1.493 -23.758 -6.085 35 HA VAL 6 HA VAL 6 3.871 -22.739 -4.682 36 HB VAL 6 HB VAL 6 4.006 -22.764 -7.137 37 HG11 VAL 6 1HG1 VAL 6 1.636 -22.529 -7.666 38 HG12 VAL 6 2HG1 VAL 6 2.587 -21.303 -8.503 39 HG13 VAL 6 3HG1 VAL 6 1.652 -20.868 -7.072 40 HG21 VAL 6 3HG2 VAL 6 5.246 -21.037 -5.951 41 HG22 VAL 6 1HG2 VAL 6 3.843 -19.967 -5.996 42 HG23 VAL 6 2HG2 VAL 6 4.661 -20.416 -7.494 43 H HIS 7 H HIS 7 3.840 -20.766 -3.565 44 HA HIS 7 HA HIS 7 1.164 -19.690 -2.982 45 HB2 HIS 7 2HB HIS 7 2.470 -20.321 -1.026 46 HB3 HIS 7 3HB HIS 7 3.803 -19.292 -1.544 47 HD1 HIS 7 HD1 HIS 7 3.640 -16.794 -1.013 48 HD2 HIS 7 HD2 HIS 7 0.194 -18.906 -0.030 49 HE1 HIS 7 HE1 HIS 7 2.233 -15.201 0.317 50 HE2 HIS 7 HE2 HIS 7 0.087 -16.440 0.752 51 H THR 8 H THR 8 0.708 -18.291 -4.644 52 HA THR 8 HA THR 8 2.490 -16.361 -5.703 53 HB THR 8 HB THR 8 -0.543 -16.264 -5.633 54 HG1 THR 8 HG1 THR 8 1.236 -17.263 -7.630 55 HG21 THR 8 3HG2 THR 8 0.477 -14.084 -6.177 56 HG22 THR 8 1HG2 THR 8 -0.352 -14.780 -7.571 57 HG23 THR 8 2HG2 THR 8 1.406 -14.850 -7.466 58 H SER 9 H SER 9 3.511 -15.336 -3.949 59 HA SER 9 HA SER 9 2.083 -14.013 -1.862 60 HB2 SER 9 2HB SER 9 4.945 -13.653 -2.799 61 HB3 SER 9 3HB SER 9 4.278 -12.988 -1.308 62 HG SER 9 HG SER 9 5.386 -14.990 -0.993 63 H PHE 10 H PHE 10 2.344 -11.603 -1.447 64 HA PHE 10 HA PHE 10 1.851 -10.132 -3.966 65 HB2 PHE 10 2HB PHE 10 0.378 -9.809 -1.337 66 HB3 PHE 10 3HB PHE 10 0.086 -8.877 -2.802 67 HD1 PHE 10 HD1 PHE 10 -0.714 -10.112 -4.870 68 HD2 PHE 10 HD2 PHE 10 -0.695 -11.873 -0.992 69 HE1 PHE 10 HE1 PHE 10 -2.320 -11.811 -5.637 70 HE2 PHE 10 HE2 PHE 10 -2.296 -13.577 -1.754 71 HZ PHE 10 HZ PHE 10 -3.111 -13.550 -4.080 72 H ILE 11 H ILE 11 2.750 -8.150 -4.197 73 HA ILE 11 HA ILE 11 4.434 -7.154 -1.972 74 HB ILE 11 HB ILE 11 4.912 -6.761 -4.938 75 HG12 ILE 11 2HG1 ILE 11 6.220 -8.673 -2.975 76 HG13 ILE 11 3HG1 ILE 11 5.227 -9.105 -4.361 77 HG21 ILE 11 1HG2 ILE 11 5.810 -4.955 -3.554 78 HG22 ILE 11 2HG2 ILE 11 7.112 -5.925 -4.245 79 HG23 ILE 11 3HG2 ILE 11 6.660 -6.134 -2.553 80 HD11 ILE 11 3HD1 ILE 11 7.927 -7.780 -4.465 81 HD12 ILE 11 1HD1 ILE 11 6.929 -8.184 -5.863 82 HD13 ILE 11 2HD1 ILE 11 7.570 -9.466 -4.836 83 H LEU 12 H LEU 12 4.094 -5.104 -1.263 84 HA LEU 12 HA LEU 12 1.967 -3.539 -2.486 85 HB2 LEU 12 2HB LEU 12 2.004 -3.838 -0.055 86 HB3 LEU 12 3HB LEU 12 3.585 -3.083 0.028 87 HG LEU 12 HG LEU 12 2.546 -0.964 -0.832 88 HD11 LEU 12 1HD1 LEU 12 0.120 -0.719 -0.709 89 HD12 LEU 12 2HD1 LEU 12 -0.041 -2.440 -0.349 90 HD13 LEU 12 3HD1 LEU 12 0.587 -1.918 -1.915 91 HD21 LEU 12 3HD2 LEU 12 2.997 -1.317 1.552 92 HD22 LEU 12 1HD2 LEU 12 1.396 -2.033 1.749 93 HD23 LEU 12 2HD2 LEU 12 1.557 -0.334 1.300 94 H LYS 13 H LYS 13 2.257 -1.782 -3.748 95 HA LYS 13 HA LYS 13 4.897 -0.454 -3.767 96 HB2 LYS 13 2HB LYS 13 2.762 -0.431 -5.914 97 HB3 LYS 13 3HB LYS 13 4.283 0.446 -5.986 98 HG2 LYS 13 2HG LYS 13 5.445 -1.789 -5.826 99 HG3 LYS 13 3HG LYS 13 3.863 -2.533 -6.062 100 HD2 LYS 13 2HD LYS 13 5.265 -0.641 -7.962 101 HD3 LYS 13 3HD LYS 13 5.038 -2.377 -8.185 102 HE2 LYS 13 2HE LYS 13 2.839 -0.307 -8.043 103 HE3 LYS 13 3HE LYS 13 3.429 -1.091 -9.507 104 HZ1 LYS 13 3HZ LYS 13 1.433 -2.162 -8.766 105 HZ2 LYS 13 1HZ LYS 13 2.078 -2.421 -7.224 106 HZ3 LYS 13 2HZ LYS 13 2.728 -3.221 -8.560 107 H VAL 14 H VAL 14 4.987 1.818 -3.669 108 HA VAL 14 HA VAL 14 2.480 3.221 -2.998 109 HB VAL 14 HB VAL 14 5.080 3.402 -1.453 110 HG11 VAL 14 1HG1 VAL 14 2.557 5.035 -1.128 111 HG12 VAL 14 2HG1 VAL 14 4.115 5.627 -1.704 112 HG13 VAL 14 3HG1 VAL 14 3.946 5.065 -0.041 113 HG21 VAL 14 3HG2 VAL 14 3.740 2.641 0.450 114 HG22 VAL 14 1HG2 VAL 14 3.698 1.465 -0.863 115 HG23 VAL 14 2HG2 VAL 14 2.318 2.526 -0.587 116 H LEU 15 H LEU 15 2.217 4.735 -4.518 117 HA LEU 15 HA LEU 15 4.490 6.097 -5.735 118 HB2 LEU 15 2HB LEU 15 2.310 5.312 -6.918 119 HB3 LEU 15 3HB LEU 15 1.581 6.743 -6.218 120 HG LEU 15 HG LEU 15 3.952 6.759 -8.104 121 HD11 LEU 15 1HD1 LEU 15 1.938 5.982 -9.231 122 HD12 LEU 15 2HD1 LEU 15 2.375 7.599 -9.778 123 HD13 LEU 15 3HD1 LEU 15 1.046 7.385 -8.638 124 HD21 LEU 15 3HD2 LEU 15 3.498 9.170 -8.280 125 HD22 LEU 15 1HD2 LEU 15 3.951 8.700 -6.642 126 HD23 LEU 15 2HD2 LEU 15 2.260 9.023 -7.031 127 H TRP 16 H TRP 16 5.379 7.744 -4.614 128 HA TRP 16 HA TRP 16 3.807 9.104 -2.561 129 HB2 TRP 16 2HB TRP 16 6.178 8.180 -2.222 130 HB3 TRP 16 3HB TRP 16 6.733 9.562 -3.159 131 HD1 TRP 16 HD1 TRP 16 6.518 11.995 -1.999 132 HE1 TRP 16 HE1 TRP 16 6.272 12.688 0.466 133 HE3 TRP 16 HE3 TRP 16 5.144 7.491 -0.018 134 HZ2 TRP 16 HZ2 TRP 16 5.590 11.492 2.924 135 HZ3 TRP 16 HZ3 TRP 16 4.712 7.344 2.401 136 HH2 TRP 16 HH2 TRP 16 4.931 9.308 3.843 137 H LEU 17 H LEU 17 2.813 10.986 -2.928 138 HA LEU 17 HA LEU 17 3.788 12.740 -5.094 139 HB2 LEU 17 2HB LEU 17 1.082 12.581 -3.756 140 HB3 LEU 17 3HB LEU 17 1.519 13.785 -4.955 141 HG LEU 17 HG LEU 17 1.423 10.799 -5.432 142 HD11 LEU 17 1HD1 LEU 17 -0.456 12.971 -6.362 143 HD12 LEU 17 2HD1 LEU 17 -0.803 11.772 -5.117 144 HD13 LEU 17 3HD1 LEU 17 -0.547 11.261 -6.785 145 HD21 LEU 17 3HD2 LEU 17 3.105 11.879 -6.820 146 HD22 LEU 17 1HD2 LEU 17 1.930 13.089 -7.337 147 HD23 LEU 17 2HD2 LEU 17 1.720 11.401 -7.800 148 H ASP 18 H ASP 18 2.928 15.155 -4.537 149 HA ASP 18 HA ASP 18 4.705 16.066 -2.517 150 HB2 ASP 18 2HB ASP 18 2.514 17.636 -3.903 151 HB3 ASP 18 3HB ASP 18 3.962 18.284 -3.131 152 H GLN 19 H GLN 19 1.128 16.331 -2.697 153 HA GLN 19 HA GLN 19 1.085 16.342 0.260 154 HB2 GLN 19 2HB GLN 19 -0.983 17.647 0.170 155 HB3 GLN 19 3HB GLN 19 0.327 18.488 -0.649 156 HG2 GLN 19 2HG GLN 19 -0.560 17.961 -2.793 157 HG3 GLN 19 3HG GLN 19 -1.732 16.840 -2.103 158 HE21 GLN 19 1HE2 GLN 19 -2.151 19.198 -3.798 159 HE22 GLN 19 2HE2 GLN 19 -3.222 20.219 -2.911 160 H ASN 20 H ASN 20 0.776 14.169 -1.964 161 HA ASN 20 HA ASN 20 -1.518 12.820 -0.709 162 HB2 ASN 20 2HB ASN 20 -1.085 12.976 -3.707 163 HB3 ASN 20 3HB ASN 20 -2.314 12.007 -2.903 164 HD21 ASN 20 1HD2 ASN 20 -1.333 15.201 -3.815 165 HD22 ASN 20 2HD2 ASN 20 -2.842 15.971 -3.481 166 H VAL 21 H VAL 21 -1.601 10.438 -1.533 167 HA VAL 21 HA VAL 21 0.941 9.277 -2.307 168 HB VAL 21 HB VAL 21 1.358 9.498 0.064 169 HG11 VAL 21 1HG1 VAL 21 -1.247 8.040 0.508 170 HG12 VAL 21 2HG1 VAL 21 -0.952 9.753 0.815 171 HG13 VAL 21 3HG1 VAL 21 -0.105 8.528 1.759 172 HG21 VAL 21 3HG2 VAL 21 1.625 7.140 0.736 173 HG22 VAL 21 1HG2 VAL 21 2.156 7.425 -0.922 174 HG23 VAL 21 2HG2 VAL 21 0.601 6.651 -0.614 175 H ALA 22 H ALA 22 0.670 7.315 -3.324 176 HA ALA 22 HA ALA 22 -2.055 6.155 -3.305 177 HB1 ALA 22 3HB ALA 22 -1.786 5.618 -5.664 178 HB2 ALA 22 1HB ALA 22 -0.171 6.327 -5.657 179 HB3 ALA 22 2HB ALA 22 -1.584 7.349 -5.394 180 H ILE 23 H ILE 23 -2.265 3.903 -3.449 181 HA ILE 23 HA ILE 23 0.228 2.345 -3.099 182 HB ILE 23 HB ILE 23 -1.044 0.819 -1.580 183 HG12 ILE 23 2HG1 ILE 23 -3.113 3.040 -1.635 184 HG13 ILE 23 3HG1 ILE 23 -3.330 1.416 -2.281 185 HG21 ILE 23 1HG2 ILE 23 0.489 2.512 -0.695 186 HG22 ILE 23 2HG2 ILE 23 -0.869 2.247 0.395 187 HG23 ILE 23 3HG2 ILE 23 -0.830 3.682 -0.631 188 HD11 ILE 23 3HD1 ILE 23 -3.082 0.511 -0.008 189 HD12 ILE 23 1HD1 ILE 23 -4.437 1.631 -0.151 190 HD13 ILE 23 2HD1 ILE 23 -2.936 2.157 0.611 191 H ALA 24 H ALA 24 0.325 0.280 -4.021 192 HA ALA 24 HA ALA 24 -1.941 -0.855 -5.444 193 HB1 ALA 24 3HB ALA 24 -1.164 0.820 -7.045 194 HB2 ALA 24 1HB ALA 24 -0.889 -0.812 -7.651 195 HB3 ALA 24 2HB ALA 24 0.456 0.124 -7.001 196 H VAL 25 H VAL 25 -1.780 -3.052 -5.452 197 HA VAL 25 HA VAL 25 0.766 -4.216 -4.529 198 HB VAL 25 HB VAL 25 -2.048 -5.335 -4.410 199 HG11 VAL 25 1HG1 VAL 25 -0.451 -7.151 -4.644 200 HG12 VAL 25 2HG1 VAL 25 -1.081 -7.111 -2.996 201 HG13 VAL 25 3HG1 VAL 25 0.533 -6.487 -3.340 202 HG21 VAL 25 3HG2 VAL 25 -1.820 -5.008 -1.980 203 HG22 VAL 25 1HG2 VAL 25 -1.693 -3.484 -2.859 204 HG23 VAL 25 2HG2 VAL 25 -0.240 -4.265 -2.234 205 H ASP 26 H ASP 26 1.760 -5.935 -5.552 206 HA ASP 26 HA ASP 26 0.645 -6.826 -8.142 207 HB2 ASP 26 2HB ASP 26 3.536 -6.953 -7.249 208 HB3 ASP 26 3HB ASP 26 2.906 -7.344 -8.845 209 H GLN 27 H GLN 27 0.765 -9.045 -8.673 210 HA GLN 27 HA GLN 27 1.065 -10.877 -6.391 211 HB2 GLN 27 2HB GLN 27 -0.116 -12.525 -7.807 212 HB3 GLN 27 3HB GLN 27 -1.054 -11.055 -7.577 213 HG2 GLN 27 2HG GLN 27 -0.486 -10.292 -9.793 214 HG3 GLN 27 3HG GLN 27 0.589 -11.668 -10.030 215 HE21 GLN 27 1HE2 GLN 27 -0.319 -13.720 -10.356 216 HE22 GLN 27 2HE2 GLN 27 -1.965 -13.920 -10.827 217 H ILE 28 H ILE 28 2.747 -12.285 -6.270 218 HA ILE 28 HA ILE 28 4.834 -12.168 -8.261 219 HB ILE 28 HB ILE 28 4.642 -13.816 -5.725 220 HG12 ILE 28 2HG1 ILE 28 6.126 -11.257 -6.404 221 HG13 ILE 28 3HG1 ILE 28 4.774 -11.419 -5.291 222 HG21 ILE 28 1HG2 ILE 28 7.042 -14.259 -6.023 223 HG22 ILE 28 2HG2 ILE 28 7.003 -13.419 -7.574 224 HG23 ILE 28 3HG2 ILE 28 6.096 -14.916 -7.361 225 HD11 ILE 28 3HD1 ILE 28 6.174 -12.798 -3.819 226 HD12 ILE 28 1HD1 ILE 28 6.845 -11.188 -4.080 227 HD13 ILE 28 2HD1 ILE 28 7.527 -12.576 -4.928 228 H VAL 29 H VAL 29 4.626 -13.241 -10.081 229 HA VAL 29 HA VAL 29 3.116 -15.755 -10.190 230 HB VAL 29 HB VAL 29 4.159 -14.132 -12.523 231 HG11 VAL 29 1HG1 VAL 29 1.897 -16.124 -12.315 232 HG12 VAL 29 2HG1 VAL 29 3.471 -16.409 -13.059 233 HG13 VAL 29 3HG1 VAL 29 2.362 -15.237 -13.769 234 HG21 VAL 29 3HG2 VAL 29 1.470 -13.863 -11.164 235 HG22 VAL 29 1HG2 VAL 29 1.968 -13.043 -12.645 236 HG23 VAL 29 2HG2 VAL 29 2.774 -12.677 -11.119 237 H GLY 30 H GLY 30 4.004 -17.499 -11.664 238 HA2 GLY 30 2HA GLY 30 6.399 -18.498 -10.722 239 HA3 GLY 30 3HA GLY 30 5.628 -19.029 -12.201 240 H LYS 31 H LYS 31 6.075 -16.153 -13.271 241 HA LYS 31 HA LYS 31 8.954 -16.464 -13.896 242 HB2 LYS 31 2HB LYS 31 6.671 -15.572 -15.659 243 HB3 LYS 31 3HB LYS 31 8.354 -15.259 -16.069 244 HG2 LYS 31 2HG LYS 31 8.790 -17.692 -16.009 245 HG3 LYS 31 3HG LYS 31 7.072 -17.966 -15.703 246 HD2 LYS 31 2HD LYS 31 8.163 -16.516 -18.124 247 HD3 LYS 31 3HD LYS 31 7.745 -18.230 -18.102 248 HE2 LYS 31 2HE LYS 31 5.840 -15.958 -17.528 249 HE3 LYS 31 3HE LYS 31 5.952 -16.834 -19.056 250 HZ1 LYS 31 3HZ LYS 31 5.342 -18.863 -17.895 251 HZ2 LYS 31 1HZ LYS 31 4.158 -17.674 -17.685 252 HZ3 LYS 31 2HZ LYS 31 5.234 -18.021 -16.433 253 H GLY 32 H GLY 32 7.397 -14.714 -11.856 254 HA2 GLY 32 2HA GLY 32 9.010 -12.751 -11.260 255 HA3 GLY 32 3HA GLY 32 8.352 -12.064 -12.735 256 H THR 33 H THR 33 6.811 -10.603 -12.371 257 HA THR 33 HA THR 33 4.799 -11.121 -10.279 258 HB THR 33 HB THR 33 4.758 -8.722 -9.654 259 HG1 THR 33 HG1 THR 33 6.276 -7.311 -10.419 260 HG21 THR 33 3HG2 THR 33 7.466 -10.018 -9.280 261 HG22 THR 33 1HG2 THR 33 6.047 -10.260 -8.260 262 HG23 THR 33 2HG2 THR 33 6.826 -8.680 -8.325 263 H SER 34 H SER 34 2.855 -9.710 -10.539 264 HA SER 34 HA SER 34 2.471 -8.528 -13.180 265 HB2 SER 34 2HB SER 34 0.724 -10.761 -12.105 266 HB3 SER 34 3HB SER 34 0.303 -9.754 -13.488 267 HG SER 34 HG SER 34 2.800 -10.794 -13.744 268 HA PRO 35 HA PRO 35 0.543 -5.405 -10.646 269 HB2 PRO 35 2HB PRO 35 -1.033 -4.878 -13.131 270 HB3 PRO 35 3HB PRO 35 -0.100 -3.758 -12.128 271 HG2 PRO 35 2HG PRO 35 0.859 -4.582 -14.472 272 HG3 PRO 35 3HG PRO 35 1.934 -4.406 -13.071 273 HD2 PRO 35 2HD PRO 35 0.785 -6.896 -14.276 274 HD3 PRO 35 3HD PRO 35 2.400 -6.615 -13.593 275 H LEU 36 H LEU 36 -0.830 -6.206 -9.140 276 HA LEU 36 HA LEU 36 -3.197 -7.710 -9.896 277 HB2 LEU 36 2HB LEU 36 -1.743 -8.317 -7.947 278 HB3 LEU 36 3HB LEU 36 -2.286 -6.856 -7.143 279 HG LEU 36 HG LEU 36 -4.636 -7.744 -7.274 280 HD11 LEU 36 1HD1 LEU 36 -3.234 -10.265 -8.170 281 HD12 LEU 36 2HD1 LEU 36 -4.357 -9.292 -9.122 282 HD13 LEU 36 3HD1 LEU 36 -4.927 -10.147 -7.690 283 HD21 LEU 36 3HD2 LEU 36 -3.332 -7.910 -5.220 284 HD22 LEU 36 1HD2 LEU 36 -2.625 -9.430 -5.773 285 HD23 LEU 36 2HD2 LEU 36 -4.352 -9.333 -5.425 286 H THR 37 H THR 37 -2.523 -4.712 -8.076 287 HA THR 37 HA THR 37 -5.192 -3.705 -8.871 288 HB THR 37 HB THR 37 -5.484 -2.587 -6.752 289 HG1 THR 37 HG1 THR 37 -3.854 -2.216 -5.463 290 HG21 THR 37 3HG2 THR 37 -5.633 -4.496 -5.196 291 HG22 THR 37 1HG2 THR 37 -4.650 -5.460 -6.297 292 HG23 THR 37 2HG2 THR 37 -6.249 -4.904 -6.798 293 H SER 38 H SER 38 -5.338 -1.391 -9.144 294 HA SER 38 HA SER 38 -2.813 -0.216 -10.014 295 HB2 SER 38 2HB SER 38 -4.811 -0.012 -11.463 296 HB3 SER 38 3HB SER 38 -5.616 0.926 -10.205 297 HG SER 38 HG SER 38 -3.803 1.718 -12.067 298 H TYR 39 H TYR 39 -2.472 2.176 -9.531 299 HA TYR 39 HA TYR 39 -2.185 2.493 -6.722 300 HB2 TYR 39 2HB TYR 39 -1.689 4.341 -9.051 301 HB3 TYR 39 3HB TYR 39 -1.466 4.874 -7.389 302 HD1 TYR 39 HD2 TYR 39 0.197 3.601 -5.934 303 HD2 TYR 39 HD1 TYR 39 0.005 3.146 -10.163 304 HE1 TYR 39 HE2 TYR 39 2.481 2.698 -5.938 305 HE2 TYR 39 HE1 TYR 39 2.290 2.244 -10.174 306 HH TYR 39 HH TYR 39 4.309 2.353 -8.771 307 H PHE 40 H PHE 40 -3.904 2.813 -5.448 308 HA PHE 40 HA PHE 40 -6.045 4.645 -6.209 309 HB2 PHE 40 2HB PHE 40 -5.650 3.174 -3.587 310 HB3 PHE 40 3HB PHE 40 -7.127 3.950 -4.147 311 HD1 PHE 40 HD1 PHE 40 -8.067 3.050 -6.430 312 HD2 PHE 40 HD2 PHE 40 -5.397 0.901 -3.899 313 HE1 PHE 40 HE1 PHE 40 -8.789 0.937 -7.463 314 HE2 PHE 40 HE2 PHE 40 -6.116 -1.213 -4.927 315 HZ PHE 40 HZ PHE 40 -7.814 -1.199 -6.712 316 H PHE 41 H PHE 41 -5.915 6.788 -5.808 317 HA PHE 41 HA PHE 41 -3.627 7.782 -4.333 318 HB2 PHE 41 2HB PHE 41 -5.770 9.248 -5.888 319 HB3 PHE 41 3HB PHE 41 -4.345 10.003 -5.183 320 HD1 PHE 41 HD1 PHE 41 -5.561 7.743 -7.820 321 HD2 PHE 41 HD2 PHE 41 -2.177 9.763 -6.199 322 HE1 PHE 41 HE1 PHE 41 -4.290 7.256 -9.869 323 HE2 PHE 41 HE2 PHE 41 -0.903 9.277 -8.247 324 HZ PHE 41 HZ PHE 41 -1.960 8.022 -10.085 325 H TRP 42 H TRP 42 -3.837 7.729 -2.185 326 HA TRP 42 HA TRP 42 -6.198 8.776 -0.826 327 HB2 TRP 42 2HB TRP 42 -5.387 6.877 0.261 328 HB3 TRP 42 3HB TRP 42 -3.708 7.295 -0.029 329 HD1 TRP 42 HD1 TRP 42 -2.582 9.036 1.672 330 HE1 TRP 42 HE1 TRP 42 -3.089 9.579 4.109 331 HE3 TRP 42 HE3 TRP 42 -7.315 7.127 1.940 332 HZ2 TRP 42 HZ2 TRP 42 -5.214 9.262 5.931 333 HZ3 TRP 42 HZ3 TRP 42 -8.519 7.290 4.086 334 HH2 TRP 42 HH2 TRP 42 -7.481 8.336 6.041 335 HA PRO 43 HA PRO 43 -6.745 9.697 0.990 336 HB2 PRO 43 2HB PRO 43 -7.634 11.849 2.267 337 HB3 PRO 43 3HB PRO 43 -6.152 11.044 2.794 338 HG2 PRO 43 2HG PRO 43 -6.482 13.576 1.249 339 HG3 PRO 43 3HG PRO 43 -5.277 13.163 2.481 340 HD2 PRO 43 2HD PRO 43 -4.934 13.039 -0.326 341 HD3 PRO 43 3HD PRO 43 -3.840 12.375 0.904 342 H ARG 44 H ARG 44 -6.517 11.557 -1.703 343 HA ARG 44 HA ARG 44 -9.008 12.813 -2.006 344 HB2 ARG 44 2HB ARG 44 -7.400 11.488 -4.206 345 HB3 ARG 44 3HB ARG 44 -8.603 12.755 -4.406 346 HG2 ARG 44 2HG ARG 44 -7.133 14.260 -3.054 347 HG3 ARG 44 3HG ARG 44 -5.902 12.996 -3.092 348 HD2 ARG 44 2HD ARG 44 -7.066 14.508 -5.431 349 HD3 ARG 44 3HD ARG 44 -5.405 14.553 -4.840 350 HE ARG 44 HE ARG 44 -6.147 11.921 -5.608 351 HH11 ARG 44 1HH1 ARG 44 -5.228 14.972 -6.933 352 HH12 ARG 44 2HH1 ARG 44 -4.636 14.276 -8.393 353 HH21 ARG 44 1HH2 ARG 44 -5.399 11.058 -7.490 354 HH22 ARG 44 2HH2 ARG 44 -4.734 12.090 -8.709 355 H ALA 45 H ALA 45 -8.042 9.487 -2.465 356 HA ALA 45 HA ALA 45 -10.873 8.708 -2.704 357 HB1 ALA 45 3HB ALA 45 -10.241 6.897 -4.212 358 HB2 ALA 45 1HB ALA 45 -8.551 7.403 -4.141 359 HB3 ALA 45 2HB ALA 45 -9.757 8.451 -4.884 360 H ASP 46 H ASP 46 -11.383 6.634 -1.757 361 HA ASP 46 HA ASP 46 -9.947 6.105 0.654 362 HB2 ASP 46 2HB ASP 46 -12.156 4.498 -0.663 363 HB3 ASP 46 3HB ASP 46 -11.600 4.309 0.999 364 H ALA 47 H ALA 47 -7.844 5.669 -0.237 365 HA ALA 47 HA ALA 47 -7.200 3.707 -2.088 366 HB1 ALA 47 3HB ALA 47 -4.927 3.842 -1.243 367 HB2 ALA 47 1HB ALA 47 -5.500 4.643 0.220 368 HB3 ALA 47 2HB ALA 47 -5.648 5.447 -1.343 369 H TRP 48 H TRP 48 -6.858 3.363 1.465 370 HA TRP 48 HA TRP 48 -6.092 0.670 1.418 371 HB2 TRP 48 2HB TRP 48 -5.855 2.280 3.341 372 HB3 TRP 48 3HB TRP 48 -7.568 2.056 3.665 373 HD1 TRP 48 HD1 TRP 48 -4.267 0.045 3.663 374 HE1 TRP 48 HE1 TRP 48 -4.517 -1.901 5.322 375 HE3 TRP 48 HE3 TRP 48 -9.200 0.637 4.886 376 HZ2 TRP 48 HZ2 TRP 48 -6.526 -3.040 6.938 377 HZ3 TRP 48 HZ3 TRP 48 -10.210 -0.922 6.501 378 HH2 TRP 48 HH2 TRP 48 -8.898 -2.726 7.506 379 H GLN 49 H GLN 49 -9.318 2.118 1.797 380 HA GLN 49 HA GLN 49 -10.736 -0.272 2.253 381 HB2 GLN 49 2HB GLN 49 -11.649 1.999 2.662 382 HB3 GLN 49 3HB GLN 49 -11.749 2.253 0.924 383 HG2 GLN 49 2HG GLN 49 -13.920 1.670 1.813 384 HG3 GLN 49 3HG GLN 49 -13.341 0.392 0.750 385 HE21 GLN 49 1HE2 GLN 49 -12.196 0.875 4.023 386 HE22 GLN 49 2HE2 GLN 49 -12.884 -0.567 4.672 387 H GLN 50 H GLN 50 -10.219 1.520 -0.808 388 HA GLN 50 HA GLN 50 -11.545 -0.370 -2.442 389 HB2 GLN 50 2HB GLN 50 -9.421 1.673 -3.135 390 HB3 GLN 50 3HB GLN 50 -10.307 0.731 -4.329 391 HG2 GLN 50 2HG GLN 50 -12.407 1.721 -3.576 392 HG3 GLN 50 3HG GLN 50 -11.544 2.642 -2.347 393 HE21 GLN 50 1HE2 GLN 50 -9.295 3.202 -4.141 394 HE22 GLN 50 2HE2 GLN 50 -9.859 4.398 -5.250 395 H LEU 51 H LEU 51 -8.216 -0.157 -1.303 396 HA LEU 51 HA LEU 51 -7.093 -2.136 -2.966 397 HB2 LEU 51 2HB LEU 51 -5.708 -0.633 -1.641 398 HB3 LEU 51 3HB LEU 51 -6.342 -1.320 -0.156 399 HG LEU 51 HG LEU 51 -5.288 -3.481 -0.691 400 HD11 LEU 51 1HD1 LEU 51 -3.670 -3.627 -2.541 401 HD12 LEU 51 2HD1 LEU 51 -4.188 -2.037 -3.104 402 HD13 LEU 51 3HD1 LEU 51 -5.323 -3.389 -3.104 403 HD21 LEU 51 3HD2 LEU 51 -2.968 -2.821 -0.326 404 HD22 LEU 51 1HD2 LEU 51 -4.062 -1.861 0.670 405 HD23 LEU 51 2HD2 LEU 51 -3.354 -1.163 -0.787 406 H LYS 52 H LYS 52 -8.368 -2.436 0.383 407 HA LYS 52 HA LYS 52 -8.126 -5.253 0.465 408 HB2 LYS 52 2HB LYS 52 -9.414 -5.196 2.473 409 HB3 LYS 52 3HB LYS 52 -8.389 -3.770 2.469 410 HG2 LYS 52 2HG LYS 52 -10.334 -2.432 1.696 411 HG3 LYS 52 3HG LYS 52 -11.341 -3.874 1.854 412 HD2 LYS 52 2HD LYS 52 -9.823 -2.480 4.071 413 HD3 LYS 52 3HD LYS 52 -11.571 -2.472 3.829 414 HE2 LYS 52 2HE LYS 52 -9.927 -4.951 4.378 415 HE3 LYS 52 3HE LYS 52 -10.808 -4.046 5.606 416 HZ1 LYS 52 3HZ LYS 52 -12.041 -5.352 3.241 417 HZ2 LYS 52 1HZ LYS 52 -12.862 -4.543 4.479 418 HZ3 LYS 52 2HZ LYS 52 -12.035 -5.980 4.812 419 H ASP 53 H ASP 53 -10.726 -3.117 -0.591 420 HA ASP 53 HA ASP 53 -12.760 -4.988 -0.979 421 HB2 ASP 53 2HB ASP 53 -13.082 -2.552 -1.143 422 HB3 ASP 53 3HB ASP 53 -12.130 -2.521 -2.624 423 H GLU 54 H GLU 54 -10.206 -3.945 -3.255 424 HA GLU 54 HA GLU 54 -10.801 -5.693 -5.361 425 HB2 GLU 54 2HB GLU 54 -8.157 -4.571 -4.409 426 HB3 GLU 54 3HB GLU 54 -8.311 -5.531 -5.873 427 HG2 GLU 54 2HG GLU 54 -9.804 -2.961 -5.381 428 HG3 GLU 54 3HG GLU 54 -8.261 -3.066 -6.228 429 H LEU 55 H LEU 55 -8.709 -6.190 -2.523 430 HA LEU 55 HA LEU 55 -7.860 -8.804 -3.184 431 HB2 LEU 55 2HB LEU 55 -8.094 -7.470 -0.482 432 HB3 LEU 55 3HB LEU 55 -7.228 -8.966 -0.787 433 HG LEU 55 HG LEU 55 -6.524 -6.273 -1.989 434 HD11 LEU 55 1HD1 LEU 55 -6.091 -6.341 0.411 435 HD12 LEU 55 2HD1 LEU 55 -4.589 -6.330 -0.510 436 HD13 LEU 55 3HD1 LEU 55 -5.167 -7.832 0.213 437 HD21 LEU 55 3HD2 LEU 55 -4.470 -7.402 -2.731 438 HD22 LEU 55 1HD2 LEU 55 -5.911 -8.107 -3.463 439 HD23 LEU 55 2HD2 LEU 55 -5.101 -8.938 -2.134 440 H GLU 56 H GLU 56 -10.695 -7.640 -1.444 441 HA GLU 56 HA GLU 56 -11.585 -10.242 -0.610 442 HB2 GLU 56 2HB GLU 56 -13.013 -7.573 -0.753 443 HB3 GLU 56 3HB GLU 56 -13.720 -9.031 -0.068 444 HG2 GLU 56 2HG GLU 56 -12.087 -9.089 1.679 445 HG3 GLU 56 3HG GLU 56 -11.163 -7.790 0.928 446 H ALA 57 H ALA 57 -12.190 -8.129 -3.356 447 HA ALA 57 HA ALA 57 -14.265 -9.653 -4.559 448 HB1 ALA 57 3HB ALA 57 -12.256 -7.797 -5.849 449 HB2 ALA 57 1HB ALA 57 -13.813 -7.323 -5.168 450 HB3 ALA 57 2HB ALA 57 -13.752 -8.374 -6.583 451 H LYS 58 H LYS 58 -10.736 -9.668 -4.892 452 HA LYS 58 HA LYS 58 -10.723 -11.875 -6.757 453 HB2 LYS 58 2HB LYS 58 -8.441 -10.697 -5.146 454 HB3 LYS 58 3HB LYS 58 -8.292 -11.762 -6.540 455 HG2 LYS 58 2HG LYS 58 -9.178 -10.069 -8.007 456 HG3 LYS 58 3HG LYS 58 -9.554 -9.021 -6.636 457 HD2 LYS 58 2HD LYS 58 -7.106 -8.961 -6.110 458 HD3 LYS 58 3HD LYS 58 -6.811 -9.839 -7.611 459 HE2 LYS 58 2HE LYS 58 -8.133 -7.129 -7.379 460 HE3 LYS 58 3HE LYS 58 -6.468 -7.420 -7.877 461 HZ1 LYS 58 3HZ LYS 58 -7.833 -7.077 -9.794 462 HZ2 LYS 58 1HZ LYS 58 -8.921 -8.280 -9.314 463 HZ3 LYS 58 2HZ LYS 58 -7.347 -8.693 -9.772 464 H HIS 59 H HIS 59 -11.814 -13.544 -5.737 465 HA HIS 59 HA HIS 59 -11.521 -14.111 -2.963 466 HB2 HIS 59 2HB HIS 59 -12.938 -15.589 -5.180 467 HB3 HIS 59 3HB HIS 59 -13.014 -16.064 -3.486 468 HD1 HIS 59 HD1 HIS 59 -14.270 -13.488 -5.882 469 HD2 HIS 59 HD2 HIS 59 -14.554 -14.379 -1.834 470 HE1 HIS 59 HE1 HIS 59 -16.131 -12.052 -5.007 471 HE2 HIS 59 HE2 HIS 59 -16.348 -12.676 -2.582 472 H TRP 60 H TRP 60 -9.443 -14.922 -5.440 473 HA TRP 60 HA TRP 60 -8.666 -17.495 -4.337 474 HB2 TRP 60 2HB TRP 60 -6.869 -17.471 -6.020 475 HB3 TRP 60 3HB TRP 60 -8.448 -17.180 -6.736 476 HD1 TRP 60 HD1 TRP 60 -8.955 -14.530 -7.435 477 HE1 TRP 60 HE1 TRP 60 -7.321 -12.768 -8.347 478 HE3 TRP 60 HE3 TRP 60 -4.545 -16.663 -5.953 479 HZ2 TRP 60 HZ2 TRP 60 -4.533 -12.333 -8.432 480 HZ3 TRP 60 HZ3 TRP 60 -2.437 -15.507 -6.492 481 HH2 TRP 60 HH2 TRP 60 -2.436 -13.387 -7.707 482 H ILE 61 H ILE 61 -8.194 -14.365 -3.382 483 HA ILE 61 HA ILE 61 -5.523 -14.637 -2.285 484 HB ILE 61 HB ILE 61 -7.667 -12.522 -2.065 485 HG12 ILE 61 2HG1 ILE 61 -5.942 -11.063 -3.030 486 HG13 ILE 61 3HG1 ILE 61 -4.775 -12.380 -2.980 487 HG21 ILE 61 1HG2 ILE 61 -5.122 -12.623 -0.441 488 HG22 ILE 61 2HG2 ILE 61 -6.775 -12.668 0.176 489 HG23 ILE 61 3HG2 ILE 61 -6.162 -11.209 -0.601 490 HD11 ILE 61 3HD1 ILE 61 -5.642 -11.996 -5.221 491 HD12 ILE 61 1HD1 ILE 61 -7.278 -12.315 -4.650 492 HD13 ILE 61 2HD1 ILE 61 -6.071 -13.601 -4.631 493 H ALA 62 H ALA 62 -4.977 -15.311 -0.259 494 HA ALA 62 HA ALA 62 -7.050 -16.428 1.447 495 HB1 ALA 62 3HB ALA 62 -4.964 -17.666 1.062 496 HB2 ALA 62 1HB ALA 62 -5.215 -17.320 2.773 497 HB3 ALA 62 2HB ALA 62 -4.055 -16.371 1.842 498 H GLU 63 H GLU 63 -7.162 -15.935 3.770 499 HA GLU 63 HA GLU 63 -7.495 -13.193 4.274 500 HB2 GLU 63 2HB GLU 63 -8.741 -14.843 5.536 501 HB3 GLU 63 3HB GLU 63 -7.260 -15.512 6.206 502 HG2 GLU 63 2HG GLU 63 -6.857 -13.451 7.435 503 HG3 GLU 63 3HG GLU 63 -8.301 -12.731 6.726 504 H ALA 64 H ALA 64 -4.944 -15.402 5.431 505 HA ALA 64 HA ALA 64 -3.401 -13.650 6.904 506 HB1 ALA 64 3HB ALA 64 -2.387 -15.873 5.127 507 HB2 ALA 64 1HB ALA 64 -2.983 -16.064 6.775 508 HB3 ALA 64 2HB ALA 64 -1.512 -15.137 6.469 509 H ASP 65 H ASP 65 -3.235 -14.228 3.391 510 HA ASP 65 HA ASP 65 -1.044 -12.527 2.896 511 HB2 ASP 65 2HB ASP 65 -3.240 -13.527 1.076 512 HB3 ASP 65 3HB ASP 65 -1.855 -12.598 0.507 513 H ARG 66 H ARG 66 -4.563 -11.901 2.516 514 HA ARG 66 HA ARG 66 -4.206 -9.249 1.593 515 HB2 ARG 66 2HB ARG 66 -6.557 -8.923 1.880 516 HB3 ARG 66 3HB ARG 66 -6.307 -10.558 1.293 517 HG2 ARG 66 2HG ARG 66 -6.656 -11.428 3.557 518 HG3 ARG 66 3HG ARG 66 -6.909 -9.784 4.147 519 HD2 ARG 66 2HD ARG 66 -8.820 -9.565 2.566 520 HD3 ARG 66 3HD ARG 66 -8.599 -11.257 2.122 521 HE ARG 66 HE ARG 66 -8.976 -10.806 4.948 522 HH11 ARG 66 1HH1 ARG 66 -10.508 -11.419 1.927 523 HH12 ARG 66 2HH1 ARG 66 -11.955 -12.019 2.653 524 HH21 ARG 66 1HH2 ARG 66 -10.846 -11.553 5.874 525 HH22 ARG 66 2HH2 ARG 66 -12.140 -12.108 4.871 526 H ILE 67 H ILE 67 -4.763 -10.529 4.870 527 HA ILE 67 HA ILE 67 -4.986 -8.039 6.168 528 HB ILE 67 HB ILE 67 -3.989 -10.683 7.251 529 HG12 ILE 67 2HG1 ILE 67 -6.304 -10.764 6.446 530 HG13 ILE 67 3HG1 ILE 67 -6.263 -10.868 8.201 531 HG21 ILE 67 1HG2 ILE 67 -4.783 -8.183 8.753 532 HG22 ILE 67 2HG2 ILE 67 -3.172 -8.897 8.674 533 HG23 ILE 67 3HG2 ILE 67 -4.476 -9.757 9.491 534 HD11 ILE 67 3HD1 ILE 67 -6.863 -8.497 8.346 535 HD12 ILE 67 1HD1 ILE 67 -8.069 -9.441 7.470 536 HD13 ILE 67 2HD1 ILE 67 -6.937 -8.419 6.585 537 H ASN 68 H ASN 68 -2.135 -10.093 5.548 538 HA ASN 68 HA ASN 68 -0.191 -8.651 6.891 539 HB2 ASN 68 2HB ASN 68 0.275 -10.807 5.832 540 HB3 ASN 68 3HB ASN 68 0.080 -10.087 4.236 541 HD21 ASN 68 1HD2 ASN 68 2.110 -10.363 3.468 542 HD22 ASN 68 2HD2 ASN 68 3.511 -9.620 4.148 543 H VAL 69 H VAL 69 -0.995 -8.286 3.410 544 HA VAL 69 HA VAL 69 0.678 -6.036 3.039 545 HB VAL 69 HB VAL 69 -0.444 -5.731 0.875 546 HG11 VAL 69 1HG1 VAL 69 1.328 -7.420 1.124 547 HG12 VAL 69 2HG1 VAL 69 0.143 -7.896 -0.092 548 HG13 VAL 69 3HG1 VAL 69 0.110 -8.638 1.509 549 HG21 VAL 69 3HG2 VAL 69 -2.266 -7.234 0.188 550 HG22 VAL 69 1HG2 VAL 69 -2.747 -6.218 1.548 551 HG23 VAL 69 2HG2 VAL 69 -2.321 -7.908 1.818 552 H LEU 70 H LEU 70 -2.661 -6.306 4.090 553 HA LEU 70 HA LEU 70 -3.281 -3.531 3.834 554 HB2 LEU 70 2HB LEU 70 -4.505 -5.716 5.517 555 HB3 LEU 70 3HB LEU 70 -5.118 -4.072 5.495 556 HG LEU 70 HG LEU 70 -4.990 -5.933 3.112 557 HD11 LEU 70 1HD1 LEU 70 -6.679 -6.593 4.757 558 HD12 LEU 70 2HD1 LEU 70 -7.412 -5.997 3.270 559 HD13 LEU 70 3HD1 LEU 70 -7.367 -4.968 4.702 560 HD21 LEU 70 3HD2 LEU 70 -4.702 -3.630 2.413 561 HD22 LEU 70 1HD2 LEU 70 -6.104 -3.136 3.364 562 HD23 LEU 70 2HD2 LEU 70 -6.312 -4.194 1.968 563 H ASN 71 H ASN 71 -1.788 -5.470 6.378 564 HA ASN 71 HA ASN 71 -1.861 -3.556 8.455 565 HB2 ASN 71 2HB ASN 71 0.175 -5.735 7.901 566 HB3 ASN 71 3HB ASN 71 0.083 -4.816 9.401 567 HD21 ASN 71 1HD2 ASN 71 -0.219 -7.680 8.885 568 HD22 ASN 71 2HD2 ASN 71 -1.763 -8.103 9.524 569 H GLN 72 H GLN 72 0.751 -4.330 6.155 570 HA GLN 72 HA GLN 72 2.453 -2.224 6.966 571 HB2 GLN 72 2HB GLN 72 3.752 -2.748 4.957 572 HB3 GLN 72 3HB GLN 72 3.283 -4.208 5.811 573 HG2 GLN 72 2HG GLN 72 1.334 -4.337 4.153 574 HG3 GLN 72 3HG GLN 72 2.216 -3.132 3.221 575 HE21 GLN 72 1HE2 GLN 72 3.624 -5.769 5.085 576 HE22 GLN 72 2HE2 GLN 72 4.272 -6.614 3.730 577 H ALA 73 H ALA 73 0.032 -2.446 4.359 578 HA ALA 73 HA ALA 73 0.411 0.077 3.207 579 HB1 ALA 73 3HB ALA 73 -1.898 -0.090 2.429 580 HB2 ALA 73 1HB ALA 73 -2.206 -1.392 3.580 581 HB3 ALA 73 2HB ALA 73 -1.070 -1.638 2.255 582 H THR 74 H THR 74 -1.635 -0.866 5.971 583 HA THR 74 HA THR 74 -2.677 1.650 6.618 584 HB THR 74 HB THR 74 -1.993 -0.663 8.456 585 HG1 THR 74 HG1 THR 74 -3.683 -1.426 7.418 586 HG21 THR 74 3HG2 THR 74 -3.570 0.378 10.053 587 HG22 THR 74 1HG2 THR 74 -3.667 1.794 9.008 588 HG23 THR 74 2HG2 THR 74 -2.138 1.373 9.783 589 H GLU 75 H GLU 75 0.378 0.125 7.623 590 HA GLU 75 HA GLU 75 1.223 2.199 9.342 591 HB2 GLU 75 2HB GLU 75 2.891 0.224 7.771 592 HB3 GLU 75 3HB GLU 75 3.497 1.252 9.062 593 HG2 GLU 75 2HG GLU 75 1.792 0.152 10.571 594 HG3 GLU 75 3HG GLU 75 1.525 -1.007 9.269 595 H VAL 76 H VAL 76 1.736 1.708 5.850 596 HA VAL 76 HA VAL 76 3.411 3.936 5.416 597 HB VAL 76 HB VAL 76 1.404 2.695 3.513 598 HG11 VAL 76 1HG1 VAL 76 3.738 4.531 2.932 599 HG12 VAL 76 2HG1 VAL 76 2.027 4.933 2.779 600 HG13 VAL 76 3HG1 VAL 76 2.743 3.718 1.723 601 HG21 VAL 76 3HG2 VAL 76 3.351 1.494 2.592 602 HG22 VAL 76 1HG2 VAL 76 3.055 1.076 4.280 603 HG23 VAL 76 2HG2 VAL 76 4.367 2.179 3.863 604 H ILE 77 H ILE 77 -0.129 3.643 5.328 605 HA ILE 77 HA ILE 77 -0.684 6.308 4.575 606 HB ILE 77 HB ILE 77 -2.382 4.337 6.118 607 HG12 ILE 77 2HG1 ILE 77 -2.309 5.062 3.166 608 HG13 ILE 77 3HG1 ILE 77 -1.738 3.556 3.875 609 HG21 ILE 77 1HG2 ILE 77 -3.206 6.898 4.743 610 HG22 ILE 77 2HG2 ILE 77 -3.175 6.619 6.484 611 HG23 ILE 77 3HG2 ILE 77 -4.301 5.719 5.466 612 HD11 ILE 77 3HD1 ILE 77 -4.013 3.005 4.550 613 HD12 ILE 77 1HD1 ILE 77 -3.900 3.280 2.812 614 HD13 ILE 77 2HD1 ILE 77 -4.588 4.523 3.857 615 H ASN 78 H ASN 78 -0.520 4.776 7.800 616 HA ASN 78 HA ASN 78 -1.064 7.123 9.288 617 HB2 ASN 78 2HB ASN 78 0.421 4.595 10.037 618 HB3 ASN 78 3HB ASN 78 0.046 5.877 11.187 619 HD21 ASN 78 1HD2 ASN 78 -0.858 3.098 11.157 620 HD22 ASN 78 2HD2 ASN 78 -2.582 3.169 11.126 621 H PHE 79 H PHE 79 1.964 5.706 8.131 622 HA PHE 79 HA PHE 79 3.780 7.474 9.328 623 HB2 PHE 79 2HB PHE 79 4.411 5.386 8.146 624 HB3 PHE 79 3HB PHE 79 3.966 6.128 6.615 625 HD1 PHE 79 HD2 PHE 79 6.317 6.407 9.474 626 HD2 PHE 79 HD1 PHE 79 5.522 7.416 5.412 627 HE1 PHE 79 HE2 PHE 79 8.609 7.260 9.240 628 HE2 PHE 79 HE1 PHE 79 7.819 8.268 5.173 629 HZ PHE 79 HZ PHE 79 9.367 8.194 7.091 630 H TRP 80 H TRP 80 2.204 7.638 6.141 631 HA TRP 80 HA TRP 80 3.217 10.111 5.305 632 HB2 TRP 80 2HB TRP 80 2.107 8.580 3.772 633 HB3 TRP 80 3HB TRP 80 0.587 8.758 4.646 634 HD1 TRP 80 HD1 TRP 80 2.863 10.624 2.187 635 HE1 TRP 80 HE1 TRP 80 1.521 12.540 1.126 636 HE3 TRP 80 HE3 TRP 80 -1.371 10.331 5.044 637 HZ2 TRP 80 HZ2 TRP 80 -0.995 13.765 1.458 638 HZ3 TRP 80 HZ3 TRP 80 -3.200 11.919 4.608 639 HH2 TRP 80 HH2 TRP 80 -3.012 13.603 2.849 640 H GLN 81 H GLN 81 0.075 9.409 6.887 641 HA GLN 81 HA GLN 81 -0.868 12.021 7.101 642 HB2 GLN 81 2HB GLN 81 -2.263 10.073 7.574 643 HB3 GLN 81 3HB GLN 81 -1.297 9.682 8.985 644 HG2 GLN 81 2HG GLN 81 -3.305 10.690 9.751 645 HG3 GLN 81 3HG GLN 81 -2.015 11.870 9.981 646 HE21 GLN 81 1HE2 GLN 81 -4.869 11.057 8.174 647 HE22 GLN 81 2HE2 GLN 81 -5.097 12.614 7.460 648 H ASP 82 H ASP 82 1.223 10.203 9.293 649 HA ASP 82 HA ASP 82 1.522 12.042 11.364 650 HB2 ASP 82 2HB ASP 82 2.337 9.696 11.374 651 HB3 ASP 82 3HB ASP 82 3.586 10.136 10.218 652 H LEU 83 H LEU 83 3.244 11.803 8.276 653 HA LEU 83 HA LEU 83 5.102 13.908 8.779 654 HB2 LEU 83 2HB LEU 83 4.166 12.864 6.102 655 HB3 LEU 83 3HB LEU 83 5.636 13.768 6.419 656 HG LEU 83 HG LEU 83 5.022 10.966 7.363 657 HD11 LEU 83 1HD1 LEU 83 6.975 12.006 5.320 658 HD12 LEU 83 2HD1 LEU 83 5.523 11.054 5.009 659 HD13 LEU 83 3HD1 LEU 83 6.875 10.337 5.882 660 HD21 LEU 83 3HD2 LEU 83 7.340 10.944 8.196 661 HD22 LEU 83 1HD2 LEU 83 6.330 12.111 9.050 662 HD23 LEU 83 2HD2 LEU 83 7.477 12.663 7.826 663 H LYS 84 H LYS 84 2.007 13.789 7.012 664 HA LYS 84 HA LYS 84 2.014 16.361 5.930 665 HB2 LYS 84 2HB LYS 84 0.392 14.679 5.253 666 HB3 LYS 84 3HB LYS 84 -0.326 14.675 6.856 667 HG2 LYS 84 2HG LYS 84 -1.757 15.906 5.393 668 HG3 LYS 84 3HG LYS 84 -1.000 17.044 6.505 669 HD2 LYS 84 2HD LYS 84 -0.924 18.077 4.379 670 HD3 LYS 84 3HD LYS 84 0.712 17.491 4.678 671 HE2 LYS 84 2HE LYS 84 0.121 16.989 2.397 672 HE3 LYS 84 3HE LYS 84 0.176 15.476 3.303 673 HZ1 LYS 84 3HZ LYS 84 -2.289 16.990 2.607 674 HZ2 LYS 84 1HZ LYS 84 -2.242 15.541 3.475 675 HZ3 LYS 84 2HZ LYS 84 -1.761 15.572 1.854 676 H ASN 85 H ASN 85 1.047 15.312 9.171 677 HA ASN 85 HA ASN 85 0.010 17.905 9.902 678 HB2 ASN 85 2HB ASN 85 0.529 15.388 11.487 679 HB3 ASN 85 3HB ASN 85 -0.050 16.872 12.236 680 HD21 ASN 85 1HD2 ASN 85 -0.843 14.249 10.116 681 HD22 ASN 85 2HD2 ASN 85 -2.537 14.563 10.034 682 H GLN 86 H GLN 86 3.070 16.175 10.462 683 HA GLN 86 HA GLN 86 4.021 18.332 12.199 684 HB2 GLN 86 2HB GLN 86 5.334 15.745 11.349 685 HB3 GLN 86 3HB GLN 86 6.035 16.901 12.477 686 HG2 GLN 86 2HG GLN 86 4.200 16.544 14.026 687 HG3 GLN 86 3HG GLN 86 3.428 15.440 12.886 688 HE21 GLN 86 1HE2 GLN 86 4.378 13.431 12.500 689 HE22 GLN 86 2HE2 GLN 86 5.489 12.727 13.611 690 H ASN 87 H ASN 87 4.139 17.645 8.876 691 HA ASN 87 HA ASN 87 5.351 18.413 7.107 692 HB2 ASN 87 2HB ASN 87 5.937 20.653 9.064 693 HB3 ASN 87 3HB ASN 87 6.320 20.718 7.346 694 HD21 ASN 87 1HD2 ASN 87 4.648 20.882 5.858 695 HD22 ASN 87 2HD2 ASN 87 3.054 21.356 6.320 696 H LYS 88 H LYS 88 6.665 16.455 8.590 697 HA LYS 88 HA LYS 88 9.227 17.051 9.514 698 HB2 LYS 88 2HB LYS 88 7.953 14.543 8.483 699 HB3 LYS 88 3HB LYS 88 9.664 14.552 8.890 700 HG2 LYS 88 2HG LYS 88 9.167 15.186 11.171 701 HG3 LYS 88 3HG LYS 88 7.449 15.324 10.789 702 HD2 LYS 88 2HD LYS 88 7.226 12.987 10.470 703 HD3 LYS 88 3HD LYS 88 8.974 12.749 10.413 704 HE2 LYS 88 2HE LYS 88 7.478 13.697 12.856 705 HE3 LYS 88 3HE LYS 88 7.881 12.009 12.543 706 HZ1 LYS 88 3HZ LYS 88 9.516 13.003 13.981 707 HZ2 LYS 88 1HZ LYS 88 9.817 14.239 12.866 708 HZ3 LYS 88 2HZ LYS 88 10.229 12.645 12.490 709 H GLN 89 H GLN 89 8.163 16.672 6.203 710 HA GLN 89 HA GLN 89 9.223 16.945 4.198 711 HB2 GLN 89 2HB GLN 89 11.293 18.346 5.909 712 HB3 GLN 89 3HB GLN 89 11.204 18.443 4.157 713 HG2 GLN 89 2HG GLN 89 9.060 19.556 4.290 714 HG3 GLN 89 3HG GLN 89 9.048 19.376 6.044 715 HE21 GLN 89 1HE2 GLN 89 8.928 21.785 4.433 716 HE22 GLN 89 2HE2 GLN 89 10.259 22.764 4.934 717 H ILE 90 H ILE 90 9.896 14.515 5.825 718 HA ILE 90 HA ILE 90 12.648 13.927 5.576 719 HB ILE 90 HB ILE 90 12.017 11.554 5.978 720 HG12 ILE 90 2HG1 ILE 90 9.515 11.285 6.709 721 HG13 ILE 90 3HG1 ILE 90 9.228 12.667 5.659 722 HG21 ILE 90 1HG2 ILE 90 10.753 13.592 7.814 723 HG22 ILE 90 2HG2 ILE 90 12.432 13.055 7.833 724 HG23 ILE 90 3HG2 ILE 90 11.142 11.926 8.248 725 HD11 ILE 90 3HD1 ILE 90 10.074 11.415 3.760 726 HD12 ILE 90 1HD1 ILE 90 8.770 10.538 4.558 727 HD13 ILE 90 2HD1 ILE 90 10.445 10.045 4.809 728 H SER 91 H SER 91 13.502 12.015 4.324 729 HA SER 91 HA SER 91 12.897 12.474 1.500 730 HB2 SER 91 2HB SER 91 15.234 12.633 2.103 731 HB3 SER 91 3HB SER 91 15.197 11.037 2.849 732 HG SER 91 HG SER 91 14.936 11.679 0.092 733 H MET 92 H MET 92 12.652 10.792 -0.021 734 HA MET 92 HA MET 92 10.884 8.733 0.539 735 HB2 MET 92 2HB MET 92 11.198 9.543 -1.706 736 HB3 MET 92 3HB MET 92 12.890 9.077 -1.701 737 HG2 MET 92 2HG MET 92 10.669 7.064 -1.499 738 HG3 MET 92 3HG MET 92 11.299 7.641 -3.041 739 HE1 MET 92 3HE MET 92 11.350 4.625 -2.706 740 HE2 MET 92 1HE MET 92 13.016 4.220 -3.109 741 HE3 MET 92 2HE MET 92 12.164 5.461 -4.029 742 H ALA 93 H ALA 93 14.424 8.674 0.530 743 HA ALA 93 HA ALA 93 14.823 5.904 0.797 744 HB1 ALA 93 3HB ALA 93 16.541 8.140 1.876 745 HB2 ALA 93 1HB ALA 93 16.615 7.482 0.241 746 HB3 ALA 93 2HB ALA 93 17.045 6.469 1.619 747 H GLU 94 H GLU 94 14.210 8.393 3.234 748 HA GLU 94 HA GLU 94 14.692 6.799 5.520 749 HB2 GLU 94 2HB GLU 94 12.861 9.196 5.226 750 HB3 GLU 94 3HB GLU 94 13.431 8.523 6.750 751 HG2 GLU 94 2HG GLU 94 15.761 9.029 6.048 752 HG3 GLU 94 3HG GLU 94 15.115 9.811 4.607 753 H ALA 95 H ALA 95 11.808 7.298 3.544 754 HA ALA 95 HA ALA 95 10.039 5.743 5.147 755 HB1 ALA 95 3HB ALA 95 9.222 7.311 3.458 756 HB2 ALA 95 1HB ALA 95 8.604 5.684 3.160 757 HB3 ALA 95 2HB ALA 95 9.926 6.319 2.182 758 H GLN 96 H GLN 96 12.212 4.961 2.456 759 HA GLN 96 HA GLN 96 11.542 2.233 2.184 760 HB2 GLN 96 2HB GLN 96 14.048 3.791 1.565 761 HB3 GLN 96 3HB GLN 96 13.918 2.068 1.233 762 HG2 GLN 96 2HG GLN 96 11.988 4.111 0.150 763 HG3 GLN 96 3HG GLN 96 13.442 3.595 -0.703 764 HE21 GLN 96 1HE2 GLN 96 10.334 2.564 0.508 765 HE22 GLN 96 2HE2 GLN 96 10.209 1.144 -0.467 766 H GLY 97 H GLY 97 13.736 3.891 4.392 767 HA2 GLY 97 2HA GLY 97 14.939 1.586 5.528 768 HA3 GLY 97 3HA GLY 97 14.802 3.159 6.299 769 H LYS 98 H LYS 98 11.780 2.943 5.896 770 HA LYS 98 HA LYS 98 11.248 1.490 8.376 771 HB2 LYS 98 2HB LYS 98 10.397 3.893 7.636 772 HB3 LYS 98 3HB LYS 98 9.129 2.968 6.850 773 HG2 LYS 98 2HG LYS 98 9.792 2.911 9.795 774 HG3 LYS 98 3HG LYS 98 8.446 3.773 9.053 775 HD2 LYS 98 2HD LYS 98 7.542 1.610 8.261 776 HD3 LYS 98 3HD LYS 98 8.858 0.781 9.094 777 HE2 LYS 98 2HE LYS 98 8.068 1.780 11.227 778 HE3 LYS 98 3HE LYS 98 6.694 2.465 10.357 779 HZ1 LYS 98 3HZ LYS 98 6.172 0.112 9.678 780 HZ2 LYS 98 1HZ LYS 98 5.950 0.464 11.320 781 HZ3 LYS 98 2HZ LYS 98 7.315 -0.393 10.810 782 H PHE 99 H PHE 99 10.307 1.429 4.953 783 HA PHE 99 HA PHE 99 8.843 -1.100 5.431 784 HB2 PHE 99 2HB PHE 99 8.338 0.892 3.206 785 HB3 PHE 99 3HB PHE 99 7.378 -0.534 3.588 786 HD1 PHE 99 HD2 PHE 99 6.193 -0.605 5.846 787 HD2 PHE 99 HD1 PHE 99 7.859 2.955 4.203 788 HE1 PHE 99 HE2 PHE 99 4.799 0.742 7.356 789 HE2 PHE 99 HE1 PHE 99 6.467 4.306 5.715 790 HZ PHE 99 HZ PHE 99 4.935 3.201 7.295 791 HA PRO 100 HA PRO 100 12.568 -2.074 2.864 792 HB2 PRO 100 2HB PRO 100 12.907 -4.618 3.779 793 HB3 PRO 100 3HB PRO 100 13.495 -3.190 4.639 794 HG2 PRO 100 2HG PRO 100 10.989 -4.777 5.101 795 HG3 PRO 100 3HG PRO 100 12.158 -4.163 6.288 796 HD2 PRO 100 2HD PRO 100 9.817 -2.906 5.797 797 HD3 PRO 100 3HD PRO 100 11.296 -2.010 6.209 798 H GLU 101 H GLU 101 9.583 -3.950 3.170 799 HA GLU 101 HA GLU 101 10.166 -5.439 0.720 800 HB2 GLU 101 2HB GLU 101 7.770 -5.558 2.563 801 HB3 GLU 101 3HB GLU 101 8.051 -6.623 1.193 802 HG2 GLU 101 2HG GLU 101 10.035 -7.526 2.263 803 HG3 GLU 101 3HG GLU 101 9.836 -6.410 3.613 804 H VAL 102 H VAL 102 8.792 -2.461 1.436 805 HA VAL 102 HA VAL 102 6.680 -2.648 -0.593 806 HB VAL 102 HB VAL 102 7.337 -0.368 1.292 807 HG11 VAL 102 1HG1 VAL 102 4.965 -0.782 -0.541 808 HG12 VAL 102 2HG1 VAL 102 6.227 0.435 -0.724 809 HG13 VAL 102 3HG1 VAL 102 5.125 0.510 0.650 810 HG21 VAL 102 3HG2 VAL 102 5.158 -2.460 1.422 811 HG22 VAL 102 1HG2 VAL 102 5.337 -1.091 2.520 812 HG23 VAL 102 2HG2 VAL 102 6.564 -2.357 2.482 813 H VAL 103 H VAL 103 6.823 -1.795 -2.577 814 HA VAL 103 HA VAL 103 9.323 -0.504 -3.371 815 HB VAL 103 HB VAL 103 7.038 -1.487 -5.098 816 HG11 VAL 103 1HG1 VAL 103 9.839 -0.626 -5.843 817 HG12 VAL 103 2HG1 VAL 103 8.344 0.234 -6.215 818 HG13 VAL 103 3HG1 VAL 103 8.659 -1.339 -6.945 819 HG21 VAL 103 3HG2 VAL 103 8.482 -3.413 -5.590 820 HG22 VAL 103 1HG2 VAL 103 8.083 -3.326 -3.873 821 HG23 VAL 103 2HG2 VAL 103 9.674 -2.815 -4.436 822 H PHE 104 H PHE 104 9.347 1.665 -3.095 823 HA PHE 104 HA PHE 104 6.947 3.260 -3.519 824 HB2 PHE 104 2HB PHE 104 9.720 3.883 -2.519 825 HB3 PHE 104 3HB PHE 104 8.615 5.176 -2.967 826 HD1 PHE 104 HD1 PHE 104 8.371 1.990 -0.997 827 HD2 PHE 104 HD2 PHE 104 7.596 6.177 -1.175 828 HE1 PHE 104 HE1 PHE 104 7.364 1.897 1.243 829 HE2 PHE 104 HE2 PHE 104 6.588 6.086 1.068 830 HZ PHE 104 HZ PHE 104 6.469 3.945 2.282 831 H SER 105 H SER 105 6.787 4.975 -5.027 832 HA SER 105 HA SER 105 8.736 5.098 -7.204 833 HB2 SER 105 2HB SER 105 7.049 4.741 -8.940 834 HB3 SER 105 3HB SER 105 7.127 3.335 -7.879 835 HG SER 105 HG SER 105 5.205 3.876 -6.991 836 H GLY 106 H GLY 106 7.963 6.793 -8.892 837 HA2 GLY 106 2HA GLY 106 6.702 9.058 -7.452 838 HA3 GLY 106 3HA GLY 106 8.124 9.258 -8.461 839 H SER 107 H SER 107 5.648 10.660 -8.754 840 HA SER 107 HA SER 107 4.142 9.469 -10.918 841 HB2 SER 107 2HB SER 107 2.847 11.578 -10.864 842 HB3 SER 107 3HB SER 107 3.002 10.858 -9.262 843 HG SER 107 HG SER 107 4.396 12.422 -8.672 844 H ASN 108 H ASN 108 6.908 9.842 -11.574 845 HA ASN 108 HA ASN 108 7.420 12.179 -13.045 846 HB2 ASN 108 2HB ASN 108 9.172 10.606 -12.297 847 HB3 ASN 108 3HB ASN 108 8.587 9.414 -13.453 848 HD21 ASN 108 1HD2 ASN 108 8.782 12.858 -14.103 849 HD22 ASN 108 2HD2 ASN 108 10.033 12.740 -15.285 850 H LEU 109 H LEU 109 6.156 9.020 -14.117 851 HA LEU 109 HA LEU 109 5.560 10.172 -16.754 852 HB2 LEU 109 2HB LEU 109 5.556 7.302 -15.812 853 HB3 LEU 109 3HB LEU 109 5.039 7.809 -17.408 854 HG LEU 109 HG LEU 109 7.395 8.796 -17.681 855 HD11 LEU 109 1HD1 LEU 109 8.062 8.735 -15.333 856 HD12 LEU 109 2HD1 LEU 109 9.156 7.785 -16.336 857 HD13 LEU 109 3HD1 LEU 109 7.948 6.974 -15.341 858 HD21 LEU 109 3HD2 LEU 109 8.327 6.614 -18.339 859 HD22 LEU 109 1HD2 LEU 109 6.662 6.824 -18.878 860 HD23 LEU 109 2HD2 LEU 109 7.014 5.808 -17.480 861 H GLU 110 H GLU 110 3.462 9.208 -17.741 862 HA GLU 110 HA GLU 110 1.327 10.289 -16.192 863 HB2 GLU 110 2HB GLU 110 1.662 9.266 -18.960 864 HB3 GLU 110 3HB GLU 110 0.028 9.245 -18.309 865 HG2 GLU 110 2HG GLU 110 1.823 11.662 -18.493 866 HG3 GLU 110 3HG GLU 110 0.473 11.285 -19.566 867 H HIS 111 H HIS 111 0.451 9.198 -14.560 868 HA HIS 111 HA HIS 111 -0.430 6.429 -15.068 869 HB2 HIS 111 2HB HIS 111 0.959 6.892 -12.991 870 HB3 HIS 111 3HB HIS 111 -0.408 7.820 -12.376 871 HD1 HIS 111 HD1 HIS 111 0.498 4.306 -13.421 872 HD2 HIS 111 HD2 HIS 111 -2.413 6.300 -11.226 873 HE1 HIS 111 HE1 HIS 111 -0.898 2.509 -12.365 874 HE2 HIS 111 HE2 HIS 111 -2.795 3.744 -11.277 875 H HIS 112 H HIS 112 -1.546 9.463 -15.434 876 HA HIS 112 HA HIS 112 -4.176 9.242 -14.293 877 HB2 HIS 112 2HB HIS 112 -3.204 11.096 -16.481 878 HB3 HIS 112 3HB HIS 112 -4.674 11.288 -15.529 879 HD1 HIS 112 HD1 HIS 112 -1.402 12.612 -15.716 880 HD2 HIS 112 HD2 HIS 112 -3.843 11.405 -12.570 881 HE1 HIS 112 HE1 HIS 112 -0.472 13.730 -13.671 882 HE2 HIS 112 HE2 HIS 112 -2.062 13.126 -11.823 883 H HIS 113 H HIS 113 -2.746 8.719 -17.482 884 HA HIS 113 HA HIS 113 -5.228 7.820 -18.661 885 HB2 HIS 113 2HB HIS 113 -2.377 7.623 -19.676 886 HB3 HIS 113 3HB HIS 113 -3.818 7.237 -20.612 887 HD1 HIS 113 HD1 HIS 113 -5.421 9.303 -21.164 888 HD2 HIS 113 HD2 HIS 113 -1.670 10.278 -19.680 889 HE1 HIS 113 HE1 HIS 113 -5.122 11.741 -21.654 890 HE2 HIS 113 HE2 HIS 113 -2.763 12.241 -20.953 891 H HIS 114 H HIS 114 -6.077 5.877 -18.286 892 HA HIS 114 HA HIS 114 -4.775 3.937 -16.712 893 HB2 HIS 114 2HB HIS 114 -7.398 4.092 -18.108 894 HB3 HIS 114 3HB HIS 114 -6.835 2.498 -17.618 895 HD1 HIS 114 HD1 HIS 114 -7.777 5.848 -16.153 896 HD2 HIS 114 HD2 HIS 114 -7.021 1.949 -14.935 897 HE1 HIS 114 HE1 HIS 114 -8.456 5.754 -13.737 898 HE2 HIS 114 HE2 HIS 114 -8.163 3.343 -13.081 899 H HIS 115 H HIS 115 -2.849 3.354 -17.738 900 HA HIS 115 HA HIS 115 -3.336 1.059 -19.524 901 HB2 HIS 115 2HB HIS 115 -0.947 1.352 -20.338 902 HB3 HIS 115 3HB HIS 115 -2.102 2.554 -20.893 903 HD1 HIS 115 HD1 HIS 115 -1.549 4.948 -20.463 904 HD2 HIS 115 HD2 HIS 115 0.859 2.353 -18.284 905 HE1 HIS 115 HE1 HIS 115 0.233 6.385 -19.434 906 HE2 HIS 115 HE2 HIS 115 1.789 4.766 -18.306 907 H HIS 116 H HIS 116 -2.927 1.800 -16.523 908 HA HIS 116 HA HIS 116 -1.936 -0.775 -15.756 909 HB2 HIS 116 2HB HIS 116 -0.251 1.662 -15.245 910 HB3 HIS 116 3HB HIS 116 -0.272 0.365 -14.057 911 HD1 HIS 116 HD1 HIS 116 -0.083 -2.122 -15.698 912 HD2 HIS 116 HD2 HIS 116 2.040 1.320 -16.661 913 HE1 HIS 116 HE1 HIS 116 1.849 -2.894 -17.099 914 HE2 HIS 116 HE2 HIS 116 3.187 -0.816 -17.564 Start of MODEL 2 1 H1 MET 1 1H MET 1 13.679 -26.202 -5.853 2 H2 MET 1 2H MET 1 14.306 -27.438 -6.822 3 H3 MET 1 3H MET 1 14.808 -27.289 -5.219 4 HA MET 1 HA MET 1 13.258 -29.113 -5.501 5 HB2 MET 1 2HB MET 1 11.693 -28.473 -3.693 6 HB3 MET 1 3HB MET 1 13.353 -28.023 -3.336 7 HG2 MET 1 2HG MET 1 12.849 -25.705 -3.991 8 HG3 MET 1 3HG MET 1 11.176 -26.173 -4.300 9 HE1 MET 1 3HE MET 1 10.949 -24.055 -0.982 10 HE2 MET 1 1HE MET 1 10.327 -24.236 -2.623 11 HE3 MET 1 2HE MET 1 12.012 -23.781 -2.362 12 H ALA 2 H ALA 2 11.016 -29.773 -5.802 13 HA ALA 2 HA ALA 2 9.972 -28.934 -8.255 14 HB1 ALA 2 3HB ALA 2 9.613 -31.160 -7.301 15 HB2 ALA 2 1HB ALA 2 8.092 -30.401 -7.774 16 HB3 ALA 2 2HB ALA 2 8.555 -30.462 -6.072 17 H ALA 3 H ALA 3 8.918 -27.140 -8.772 18 HA ALA 3 HA ALA 3 7.345 -25.682 -6.765 19 HB1 ALA 3 3HB ALA 3 8.996 -24.424 -8.078 20 HB2 ALA 3 1HB ALA 3 7.356 -23.845 -8.375 21 HB3 ALA 3 2HB ALA 3 8.157 -24.874 -9.561 22 H SER 4 H SER 4 6.270 -28.148 -7.672 23 HA SER 4 HA SER 4 4.493 -28.154 -9.772 24 HB2 SER 4 2HB SER 4 3.985 -29.361 -7.034 25 HB3 SER 4 3HB SER 4 3.215 -29.847 -8.544 26 HG SER 4 HG SER 4 5.040 -31.158 -7.815 27 H THR 5 H THR 5 3.654 -27.250 -6.414 28 HA THR 5 HA THR 5 1.178 -26.013 -7.300 29 HB THR 5 HB THR 5 2.397 -26.121 -4.527 30 HG1 THR 5 HG1 THR 5 0.984 -27.843 -4.212 31 HG21 THR 5 3HG2 THR 5 0.145 -25.531 -3.736 32 HG22 THR 5 1HG2 THR 5 -0.404 -25.364 -5.405 33 HG23 THR 5 2HG2 THR 5 0.809 -24.257 -4.759 34 H VAL 6 H VAL 6 1.268 -24.055 -8.208 35 HA VAL 6 HA VAL 6 3.433 -22.253 -7.846 36 HB VAL 6 HB VAL 6 2.256 -22.275 -9.943 37 HG11 VAL 6 1HG1 VAL 6 0.033 -22.901 -9.195 38 HG12 VAL 6 2HG1 VAL 6 -0.042 -21.453 -10.198 39 HG13 VAL 6 3HG1 VAL 6 -0.184 -21.318 -8.445 40 HG21 VAL 6 3HG2 VAL 6 3.317 -20.173 -9.316 41 HG22 VAL 6 1HG2 VAL 6 1.830 -19.637 -8.530 42 HG23 VAL 6 2HG2 VAL 6 1.868 -19.877 -10.277 43 H HIS 7 H HIS 7 3.429 -22.079 -5.508 44 HA HIS 7 HA HIS 7 1.351 -20.726 -4.111 45 HB2 HIS 7 2HB HIS 7 3.220 -20.384 -2.358 46 HB3 HIS 7 3HB HIS 7 2.712 -22.026 -2.730 47 HD1 HIS 7 HD1 HIS 7 4.424 -23.586 -3.765 48 HD2 HIS 7 HD2 HIS 7 5.838 -19.709 -3.275 49 HE1 HIS 7 HE1 HIS 7 6.891 -23.712 -4.189 50 HE2 HIS 7 HE2 HIS 7 7.750 -21.406 -3.687 51 H THR 8 H THR 8 0.752 -18.769 -4.739 52 HA THR 8 HA THR 8 2.677 -16.840 -5.763 53 HB THR 8 HB THR 8 -0.337 -16.643 -5.499 54 HG1 THR 8 HG1 THR 8 0.704 -18.242 -7.030 55 HG21 THR 8 3HG2 THR 8 0.705 -14.424 -5.581 56 HG22 THR 8 1HG2 THR 8 -0.157 -14.770 -7.083 57 HG23 THR 8 2HG2 THR 8 1.601 -14.890 -7.027 58 H SER 9 H SER 9 3.526 -15.211 -4.617 59 HA SER 9 HA SER 9 2.361 -14.512 -1.998 60 HB2 SER 9 2HB SER 9 4.754 -15.097 -1.995 61 HB3 SER 9 3HB SER 9 5.075 -13.814 -3.162 62 HG SER 9 HG SER 9 5.477 -13.283 -0.900 63 H PHE 10 H PHE 10 2.989 -11.962 -1.536 64 HA PHE 10 HA PHE 10 1.974 -10.407 -3.819 65 HB2 PHE 10 2HB PHE 10 0.704 -10.398 -1.067 66 HB3 PHE 10 3HB PHE 10 0.282 -9.303 -2.381 67 HD1 PHE 10 HD1 PHE 10 -0.878 -10.148 -4.386 68 HD2 PHE 10 HD2 PHE 10 -0.055 -12.678 -1.051 69 HE1 PHE 10 HE1 PHE 10 -2.487 -11.799 -5.242 70 HE2 PHE 10 HE2 PHE 10 -1.666 -14.328 -1.907 71 HZ PHE 10 HZ PHE 10 -2.880 -13.894 -4.004 72 H ILE 11 H ILE 11 2.666 -8.334 -3.952 73 HA ILE 11 HA ILE 11 4.401 -7.284 -1.791 74 HB ILE 11 HB ILE 11 4.710 -6.791 -4.771 75 HG12 ILE 11 2HG1 ILE 11 6.376 -8.523 -2.920 76 HG13 ILE 11 3HG1 ILE 11 5.293 -9.108 -4.178 77 HG21 ILE 11 1HG2 ILE 11 5.475 -4.917 -3.384 78 HG22 ILE 11 2HG2 ILE 11 6.826 -5.723 -4.182 79 HG23 ILE 11 3HG2 ILE 11 6.511 -6.016 -2.471 80 HD11 ILE 11 3HD1 ILE 11 7.622 -9.190 -4.874 81 HD12 ILE 11 1HD1 ILE 11 7.767 -7.449 -4.633 82 HD13 ILE 11 2HD1 ILE 11 6.691 -8.082 -5.881 83 H LEU 12 H LEU 12 4.394 -4.950 -1.512 84 HA LEU 12 HA LEU 12 1.956 -3.638 -2.549 85 HB2 LEU 12 2HB LEU 12 2.016 -3.902 -0.108 86 HB3 LEU 12 3HB LEU 12 3.547 -3.050 -0.044 87 HG LEU 12 HG LEU 12 2.345 -1.032 -1.003 88 HD11 LEU 12 1HD1 LEU 12 -0.090 -0.950 -0.742 89 HD12 LEU 12 2HD1 LEU 12 -0.100 -2.662 -0.317 90 HD13 LEU 12 3HD1 LEU 12 0.402 -2.156 -1.929 91 HD21 LEU 12 3HD2 LEU 12 2.941 -1.211 1.364 92 HD22 LEU 12 1HD2 LEU 12 1.414 -2.036 1.688 93 HD23 LEU 12 2HD2 LEU 12 1.413 -0.359 1.143 94 H LYS 13 H LYS 13 2.293 -2.104 -4.056 95 HA LYS 13 HA LYS 13 4.803 -0.561 -3.996 96 HB2 LYS 13 2HB LYS 13 2.734 -0.750 -6.197 97 HB3 LYS 13 3HB LYS 13 4.202 0.212 -6.264 98 HG2 LYS 13 2HG LYS 13 5.446 -2.002 -5.910 99 HG3 LYS 13 3HG LYS 13 3.913 -2.773 -6.313 100 HD2 LYS 13 2HD LYS 13 5.586 -0.952 -8.041 101 HD3 LYS 13 3HD LYS 13 5.187 -2.645 -8.321 102 HE2 LYS 13 2HE LYS 13 3.199 -0.366 -8.327 103 HE3 LYS 13 3HE LYS 13 3.895 -1.108 -9.762 104 HZ1 LYS 13 3HZ LYS 13 2.844 -3.161 -9.237 105 HZ2 LYS 13 1HZ LYS 13 1.665 -1.952 -9.181 106 HZ3 LYS 13 2HZ LYS 13 2.301 -2.589 -7.749 107 H VAL 14 H VAL 14 4.804 1.528 -3.419 108 HA VAL 14 HA VAL 14 2.209 2.920 -3.124 109 HB VAL 14 HB VAL 14 4.659 3.211 -1.364 110 HG11 VAL 14 1HG1 VAL 14 1.952 4.537 -1.154 111 HG12 VAL 14 2HG1 VAL 14 3.459 5.326 -1.617 112 HG13 VAL 14 3HG1 VAL 14 3.267 4.683 0.013 113 HG21 VAL 14 3HG2 VAL 14 3.282 2.212 0.396 114 HG22 VAL 14 1HG2 VAL 14 3.466 1.107 -0.966 115 HG23 VAL 14 2HG2 VAL 14 1.957 1.998 -0.749 116 H LEU 15 H LEU 15 2.016 4.635 -4.437 117 HA LEU 15 HA LEU 15 4.334 5.836 -5.696 118 HB2 LEU 15 2HB LEU 15 2.215 5.464 -6.931 119 HB3 LEU 15 3HB LEU 15 1.416 6.612 -5.874 120 HG LEU 15 HG LEU 15 3.003 8.374 -6.707 121 HD11 LEU 15 1HD1 LEU 15 3.752 6.245 -8.705 122 HD12 LEU 15 2HD1 LEU 15 4.807 6.965 -7.488 123 HD13 LEU 15 3HD1 LEU 15 4.190 7.950 -8.814 124 HD21 LEU 15 3HD2 LEU 15 1.860 8.685 -8.857 125 HD22 LEU 15 1HD2 LEU 15 0.739 8.222 -7.578 126 HD23 LEU 15 2HD2 LEU 15 1.257 7.029 -8.769 127 H TRP 16 H TRP 16 5.501 7.321 -4.663 128 HA TRP 16 HA TRP 16 4.292 8.887 -2.492 129 HB2 TRP 16 2HB TRP 16 6.395 7.524 -2.133 130 HB3 TRP 16 3HB TRP 16 7.225 8.635 -3.213 131 HD1 TRP 16 HD1 TRP 16 7.801 11.067 -2.265 132 HE1 TRP 16 HE1 TRP 16 7.872 12.011 0.128 133 HE3 TRP 16 HE3 TRP 16 5.206 7.375 0.138 134 HZ2 TRP 16 HZ2 TRP 16 6.942 11.284 2.697 135 HZ3 TRP 16 HZ3 TRP 16 4.837 7.574 2.563 136 HH2 TRP 16 HH2 TRP 16 5.690 9.490 3.815 137 H LEU 17 H LEU 17 3.433 10.792 -3.182 138 HA LEU 17 HA LEU 17 4.893 12.326 -5.245 139 HB2 LEU 17 2HB LEU 17 1.958 12.447 -4.524 140 HB3 LEU 17 3HB LEU 17 2.742 13.403 -5.768 141 HG LEU 17 HG LEU 17 2.405 10.397 -5.785 142 HD11 LEU 17 1HD1 LEU 17 1.105 12.563 -7.439 143 HD12 LEU 17 2HD1 LEU 17 0.321 11.558 -6.217 144 HD13 LEU 17 3HD1 LEU 17 0.928 10.826 -7.701 145 HD21 LEU 17 3HD2 LEU 17 4.508 11.064 -6.845 146 HD22 LEU 17 1HD2 LEU 17 3.637 12.212 -7.863 147 HD23 LEU 17 2HD2 LEU 17 3.346 10.481 -8.037 148 H ASP 18 H ASP 18 4.163 14.752 -5.125 149 HA ASP 18 HA ASP 18 5.496 15.991 -3.067 150 HB2 ASP 18 2HB ASP 18 5.031 17.093 -5.165 151 HB3 ASP 18 3HB ASP 18 3.300 17.056 -4.855 152 H GLN 19 H GLN 19 1.919 16.143 -3.381 153 HA GLN 19 HA GLN 19 1.748 16.182 -0.427 154 HB2 GLN 19 2HB GLN 19 0.222 17.840 -2.436 155 HB3 GLN 19 3HB GLN 19 -0.325 17.634 -0.777 156 HG2 GLN 19 2HG GLN 19 1.610 18.723 0.083 157 HG3 GLN 19 3HG GLN 19 2.387 18.725 -1.500 158 HE21 GLN 19 1HE2 GLN 19 1.727 20.212 -3.041 159 HE22 GLN 19 2HE2 GLN 19 0.756 21.586 -2.641 160 H ASN 20 H ASN 20 1.313 14.116 -2.714 161 HA ASN 20 HA ASN 20 -1.187 13.024 -1.610 162 HB2 ASN 20 2HB ASN 20 -0.518 13.184 -4.566 163 HB3 ASN 20 3HB ASN 20 -1.867 12.275 -3.892 164 HD21 ASN 20 1HD2 ASN 20 -0.592 15.430 -4.554 165 HD22 ASN 20 2HD2 ASN 20 -2.063 16.300 -4.314 166 H VAL 21 H VAL 21 -1.420 10.678 -1.971 167 HA VAL 21 HA VAL 21 0.984 9.219 -2.733 168 HB VAL 21 HB VAL 21 1.358 9.704 -0.353 169 HG11 VAL 21 1HG1 VAL 21 -1.206 8.191 0.141 170 HG12 VAL 21 2HG1 VAL 21 -0.955 9.923 0.370 171 HG13 VAL 21 3HG1 VAL 21 -0.087 8.767 1.379 172 HG21 VAL 21 3HG2 VAL 21 0.732 6.794 -0.884 173 HG22 VAL 21 1HG2 VAL 21 1.761 7.404 0.412 174 HG23 VAL 21 2HG2 VAL 21 2.238 7.626 -1.270 175 H ALA 22 H ALA 22 0.595 7.081 -3.329 176 HA ALA 22 HA ALA 22 -2.203 6.137 -3.213 177 HB1 ALA 22 3HB ALA 22 -0.456 6.080 -5.674 178 HB2 ALA 22 1HB ALA 22 -1.826 7.159 -5.405 179 HB3 ALA 22 2HB ALA 22 -2.087 5.420 -5.540 180 H ILE 23 H ILE 23 -2.499 3.865 -3.269 181 HA ILE 23 HA ILE 23 -0.044 2.257 -2.866 182 HB ILE 23 HB ILE 23 -1.349 0.855 -1.255 183 HG12 ILE 23 2HG1 ILE 23 -3.363 3.115 -1.502 184 HG13 ILE 23 3HG1 ILE 23 -3.615 1.432 -1.953 185 HG21 ILE 23 1HG2 ILE 23 -1.123 2.389 0.632 186 HG22 ILE 23 2HG2 ILE 23 -1.053 3.762 -0.474 187 HG23 ILE 23 3HG2 ILE 23 0.236 2.557 -0.478 188 HD11 ILE 23 3HD1 ILE 23 -3.176 2.470 0.841 189 HD12 ILE 23 1HD1 ILE 23 -3.409 0.778 0.394 190 HD13 ILE 23 2HD1 ILE 23 -4.708 1.943 0.144 191 H ALA 24 H ALA 24 -0.047 0.107 -3.600 192 HA ALA 24 HA ALA 24 -2.371 -1.037 -4.906 193 HB1 ALA 24 3HB ALA 24 0.081 -0.392 -6.550 194 HB2 ALA 24 1HB ALA 24 -1.471 0.431 -6.665 195 HB3 ALA 24 2HB ALA 24 -1.344 -1.273 -7.102 196 H VAL 25 H VAL 25 -2.043 -3.295 -5.518 197 HA VAL 25 HA VAL 25 0.242 -4.542 -4.106 198 HB VAL 25 HB VAL 25 -2.556 -5.647 -4.487 199 HG11 VAL 25 1HG1 VAL 25 -0.173 -6.859 -3.072 200 HG12 VAL 25 2HG1 VAL 25 -0.917 -7.447 -4.559 201 HG13 VAL 25 3HG1 VAL 25 -1.816 -7.505 -3.041 202 HG21 VAL 25 3HG2 VAL 25 -2.719 -5.448 -2.037 203 HG22 VAL 25 1HG2 VAL 25 -2.471 -3.883 -2.812 204 HG23 VAL 25 2HG2 VAL 25 -1.127 -4.688 -2.001 205 H ASP 26 H ASP 26 1.329 -6.233 -5.052 206 HA ASP 26 HA ASP 26 0.658 -6.936 -7.844 207 HB2 ASP 26 2HB ASP 26 3.407 -6.683 -6.585 208 HB3 ASP 26 3HB ASP 26 3.086 -7.212 -8.236 209 H GLN 27 H GLN 27 0.970 -9.097 -8.468 210 HA GLN 27 HA GLN 27 1.169 -11.013 -6.244 211 HB2 GLN 27 2HB GLN 27 0.071 -12.617 -7.720 212 HB3 GLN 27 3HB GLN 27 -0.869 -11.135 -7.620 213 HG2 GLN 27 2HG GLN 27 -0.016 -10.429 -9.793 214 HG3 GLN 27 3HG GLN 27 0.971 -11.885 -9.892 215 HE21 GLN 27 1HE2 GLN 27 -0.077 -13.895 -10.181 216 HE22 GLN 27 2HE2 GLN 27 -1.672 -13.982 -10.831 217 H ILE 28 H ILE 28 2.904 -12.317 -6.037 218 HA ILE 28 HA ILE 28 5.010 -12.278 -8.044 219 HB ILE 28 HB ILE 28 4.910 -13.746 -5.397 220 HG12 ILE 28 2HG1 ILE 28 6.221 -11.122 -6.173 221 HG13 ILE 28 3HG1 ILE 28 4.855 -11.319 -5.080 222 HG21 ILE 28 1HG2 ILE 28 7.343 -13.995 -5.683 223 HG22 ILE 28 2HG2 ILE 28 7.224 -13.247 -7.275 224 HG23 ILE 28 3HG2 ILE 28 6.449 -14.802 -6.974 225 HD11 ILE 28 3HD1 ILE 28 6.279 -12.503 -3.500 226 HD12 ILE 28 1HD1 ILE 28 6.930 -10.910 -3.876 227 HD13 ILE 28 2HD1 ILE 28 7.645 -12.347 -4.602 228 H VAL 29 H VAL 29 4.503 -13.481 -9.788 229 HA VAL 29 HA VAL 29 3.256 -16.104 -9.529 230 HB VAL 29 HB VAL 29 4.232 -14.783 -12.067 231 HG11 VAL 29 1HG1 VAL 29 2.080 -16.836 -11.568 232 HG12 VAL 29 2HG1 VAL 29 3.655 -17.124 -12.309 233 HG13 VAL 29 3HG1 VAL 29 2.464 -16.114 -13.132 234 HG21 VAL 29 3HG2 VAL 29 1.579 -14.394 -10.689 235 HG22 VAL 29 1HG2 VAL 29 1.939 -13.885 -12.339 236 HG23 VAL 29 2HG2 VAL 29 2.814 -13.168 -10.985 237 H GLY 30 H GLY 30 4.237 -18.044 -10.479 238 HA2 GLY 30 2HA GLY 30 6.924 -18.491 -9.803 239 HA3 GLY 30 3HA GLY 30 5.960 -19.527 -10.842 240 H LYS 31 H LYS 31 5.641 -16.967 -12.571 241 HA LYS 31 HA LYS 31 8.075 -17.329 -14.151 242 HB2 LYS 31 2HB LYS 31 5.534 -15.803 -14.768 243 HB3 LYS 31 3HB LYS 31 6.857 -16.089 -15.892 244 HG2 LYS 31 2HG LYS 31 6.429 -18.468 -15.853 245 HG3 LYS 31 3HG LYS 31 5.184 -18.255 -14.623 246 HD2 LYS 31 2HD LYS 31 4.195 -18.549 -16.844 247 HD3 LYS 31 3HD LYS 31 3.839 -16.946 -16.195 248 HE2 LYS 31 2HE LYS 31 5.687 -16.017 -17.543 249 HE3 LYS 31 3HE LYS 31 5.975 -17.620 -18.223 250 HZ1 LYS 31 3HZ LYS 31 4.644 -16.245 -19.689 251 HZ2 LYS 31 1HZ LYS 31 3.468 -16.051 -18.491 252 HZ3 LYS 31 2HZ LYS 31 3.754 -17.576 -19.161 253 H GLY 32 H GLY 32 6.433 -14.878 -12.228 254 HA2 GLY 32 2HA GLY 32 8.560 -13.280 -11.634 255 HA3 GLY 32 3HA GLY 32 7.995 -12.663 -13.181 256 H THR 33 H THR 33 7.768 -10.757 -11.571 257 HA THR 33 HA THR 33 5.361 -10.849 -9.927 258 HB THR 33 HB THR 33 5.906 -8.520 -9.304 259 HG1 THR 33 HG1 THR 33 7.409 -7.405 -10.341 260 HG21 THR 33 3HG2 THR 33 8.007 -8.995 -8.108 261 HG22 THR 33 1HG2 THR 33 8.251 -10.423 -9.115 262 HG23 THR 33 2HG2 THR 33 6.878 -10.348 -8.008 263 H SER 34 H SER 34 3.445 -9.800 -10.334 264 HA SER 34 HA SER 34 3.198 -8.197 -12.789 265 HB2 SER 34 2HB SER 34 2.592 -10.492 -13.438 266 HB3 SER 34 3HB SER 34 1.407 -10.561 -12.137 267 HG SER 34 HG SER 34 0.047 -9.611 -13.417 268 HA PRO 35 HA PRO 35 0.884 -5.519 -10.085 269 HB2 PRO 35 2HB PRO 35 -0.516 -4.735 -12.602 270 HB3 PRO 35 3HB PRO 35 0.294 -3.723 -11.399 271 HG2 PRO 35 2HG PRO 35 1.452 -4.201 -13.745 272 HG3 PRO 35 3HG PRO 35 2.415 -4.179 -12.253 273 HD2 PRO 35 2HD PRO 35 1.441 -6.528 -13.843 274 HD3 PRO 35 3HD PRO 35 3.005 -6.282 -13.036 275 H LEU 36 H LEU 36 -0.698 -6.260 -8.807 276 HA LEU 36 HA LEU 36 -2.836 -7.923 -9.896 277 HB2 LEU 36 2HB LEU 36 -1.584 -8.594 -7.852 278 HB3 LEU 36 3HB LEU 36 -2.223 -7.185 -7.027 279 HG LEU 36 HG LEU 36 -4.532 -8.104 -7.374 280 HD11 LEU 36 1HD1 LEU 36 -4.069 -9.528 -9.292 281 HD12 LEU 36 2HD1 LEU 36 -4.763 -10.465 -7.971 282 HD13 LEU 36 3HD1 LEU 36 -3.032 -10.555 -8.300 283 HD21 LEU 36 3HD2 LEU 36 -3.358 -8.387 -5.247 284 HD22 LEU 36 1HD2 LEU 36 -2.618 -9.874 -5.844 285 HD23 LEU 36 2HD2 LEU 36 -4.365 -9.788 -5.611 286 H THR 37 H THR 37 -2.446 -4.820 -8.204 287 HA THR 37 HA THR 37 -5.188 -4.105 -9.056 288 HB THR 37 HB THR 37 -5.625 -2.880 -7.034 289 HG1 THR 37 HG1 THR 37 -3.982 -2.123 -5.954 290 HG21 THR 37 3HG2 THR 37 -5.624 -4.656 -5.329 291 HG22 THR 37 1HG2 THR 37 -4.496 -5.596 -6.306 292 HG23 THR 37 2HG2 THR 37 -6.125 -5.279 -6.901 293 H SER 38 H SER 38 -5.471 -1.600 -8.747 294 HA SER 38 HA SER 38 -3.176 -0.287 -10.050 295 HB2 SER 38 2HB SER 38 -5.278 -0.228 -11.316 296 HB3 SER 38 3HB SER 38 -6.101 0.523 -9.949 297 HG SER 38 HG SER 38 -3.900 1.641 -11.371 298 H TYR 39 H TYR 39 -2.832 2.062 -9.487 299 HA TYR 39 HA TYR 39 -2.436 2.316 -6.676 300 HB2 TYR 39 2HB TYR 39 -2.003 4.160 -9.013 301 HB3 TYR 39 3HB TYR 39 -1.787 4.738 -7.365 302 HD1 TYR 39 HD2 TYR 39 -0.061 3.652 -5.903 303 HD2 TYR 39 HD1 TYR 39 -0.317 2.841 -10.079 304 HE1 TYR 39 HE2 TYR 39 2.236 2.784 -5.872 305 HE2 TYR 39 HE1 TYR 39 1.987 1.976 -10.056 306 HH TYR 39 HH TYR 39 3.704 1.414 -7.104 307 H PHE 40 H PHE 40 -3.995 2.757 -5.244 308 HA PHE 40 HA PHE 40 -6.239 4.491 -5.989 309 HB2 PHE 40 2HB PHE 40 -5.749 2.923 -3.442 310 HB3 PHE 40 3HB PHE 40 -7.228 3.784 -3.852 311 HD1 PHE 40 HD1 PHE 40 -8.482 3.036 -5.967 312 HD2 PHE 40 HD2 PHE 40 -5.479 0.684 -4.069 313 HE1 PHE 40 HE1 PHE 40 -9.356 1.024 -7.084 314 HE2 PHE 40 HE2 PHE 40 -6.348 -1.330 -5.186 315 HZ PHE 40 HZ PHE 40 -8.285 -1.161 -6.695 316 H PHE 41 H PHE 41 -6.218 6.601 -5.556 317 HA PHE 41 HA PHE 41 -4.185 7.718 -3.768 318 HB2 PHE 41 2HB PHE 41 -6.036 9.027 -5.776 319 HB3 PHE 41 3HB PHE 41 -4.898 9.910 -4.766 320 HD1 PHE 41 HD1 PHE 41 -5.130 7.327 -7.421 321 HD2 PHE 41 HD2 PHE 41 -2.662 10.161 -5.408 322 HE1 PHE 41 HE1 PHE 41 -3.380 7.003 -9.115 323 HE2 PHE 41 HE2 PHE 41 -0.908 9.835 -7.102 324 HZ PHE 41 HZ PHE 41 -1.266 8.256 -8.961 325 H TRP 42 H TRP 42 -4.625 8.671 -1.837 326 HA TRP 42 HA TRP 42 -7.455 9.238 -1.177 327 HB2 TRP 42 2HB TRP 42 -7.258 8.297 0.932 328 HB3 TRP 42 3HB TRP 42 -6.216 7.228 0.003 329 HD1 TRP 42 HD1 TRP 42 -3.448 7.990 0.167 330 HE1 TRP 42 HE1 TRP 42 -2.184 8.726 2.286 331 HE3 TRP 42 HE3 TRP 42 -7.438 9.294 3.088 332 HZ2 TRP 42 HZ2 TRP 42 -2.796 9.721 4.856 333 HZ3 TRP 42 HZ3 TRP 42 -7.021 10.117 5.364 334 HH2 TRP 42 HH2 TRP 42 -4.742 10.328 6.235 335 HA PRO 43 HA PRO 43 -8.282 9.973 0.896 336 HB2 PRO 43 2HB PRO 43 -9.584 12.071 1.918 337 HB3 PRO 43 3HB PRO 43 -8.159 11.399 2.722 338 HG2 PRO 43 2HG PRO 43 -8.397 13.846 1.017 339 HG3 PRO 43 3HG PRO 43 -7.453 13.599 2.496 340 HD2 PRO 43 2HD PRO 43 -6.448 13.463 -0.099 341 HD3 PRO 43 3HD PRO 43 -5.670 12.774 1.339 342 H ARG 44 H ARG 44 -7.835 11.760 -1.796 343 HA ARG 44 HA ARG 44 -10.322 12.644 -2.664 344 HB2 ARG 44 2HB ARG 44 -8.209 11.250 -4.330 345 HB3 ARG 44 3HB ARG 44 -9.504 12.268 -4.955 346 HG2 ARG 44 2HG ARG 44 -8.564 14.178 -3.697 347 HG3 ARG 44 3HG ARG 44 -7.240 13.144 -3.163 348 HD2 ARG 44 2HD ARG 44 -6.570 12.814 -5.508 349 HD3 ARG 44 3HD ARG 44 -7.884 13.878 -6.023 350 HE ARG 44 HE ARG 44 -6.349 15.275 -4.166 351 HH11 ARG 44 1HH1 ARG 44 -6.015 14.018 -7.359 352 HH12 ARG 44 2HH1 ARG 44 -4.792 15.161 -7.792 353 HH21 ARG 44 1HH2 ARG 44 -4.781 16.724 -4.742 354 HH22 ARG 44 2HH2 ARG 44 -4.099 16.661 -6.331 355 H ALA 45 H ALA 45 -8.988 9.370 -2.703 356 HA ALA 45 HA ALA 45 -11.747 8.347 -2.808 357 HB1 ALA 45 3HB ALA 45 -11.003 6.455 -4.178 358 HB2 ALA 45 1HB ALA 45 -9.379 7.141 -4.253 359 HB3 ALA 45 2HB ALA 45 -10.729 7.986 -5.011 360 H ASP 46 H ASP 46 -12.134 6.541 -1.473 361 HA ASP 46 HA ASP 46 -10.429 6.150 0.759 362 HB2 ASP 46 2HB ASP 46 -11.969 4.048 1.064 363 HB3 ASP 46 3HB ASP 46 -12.659 5.661 1.218 364 H ALA 47 H ALA 47 -8.393 5.709 -0.146 365 HA ALA 47 HA ALA 47 -7.714 3.800 -2.025 366 HB1 ALA 47 3HB ALA 47 -6.192 5.539 -1.265 367 HB2 ALA 47 1HB ALA 47 -5.436 3.951 -1.138 368 HB3 ALA 47 2HB ALA 47 -6.053 4.754 0.307 369 H TRP 48 H TRP 48 -7.679 3.374 1.521 370 HA TRP 48 HA TRP 48 -6.707 0.710 1.417 371 HB2 TRP 48 2HB TRP 48 -6.531 2.276 3.379 372 HB3 TRP 48 3HB TRP 48 -8.243 2.008 3.683 373 HD1 TRP 48 HD1 TRP 48 -4.882 0.109 3.715 374 HE1 TRP 48 HE1 TRP 48 -5.106 -1.886 5.322 375 HE3 TRP 48 HE3 TRP 48 -9.868 0.484 4.790 376 HZ2 TRP 48 HZ2 TRP 48 -7.125 -3.145 6.833 377 HZ3 TRP 48 HZ3 TRP 48 -10.866 -1.160 6.327 378 HH2 TRP 48 HH2 TRP 48 -9.520 -2.937 7.326 379 H GLN 49 H GLN 49 -9.973 2.067 1.619 380 HA GLN 49 HA GLN 49 -11.352 -0.364 2.045 381 HB2 GLN 49 2HB GLN 49 -12.445 1.740 2.494 382 HB3 GLN 49 3HB GLN 49 -12.268 2.245 0.822 383 HG2 GLN 49 2HG GLN 49 -14.550 1.589 1.251 384 HG3 GLN 49 3HG GLN 49 -13.801 0.463 0.122 385 HE21 GLN 49 1HE2 GLN 49 -13.274 0.459 3.603 386 HE22 GLN 49 2HE2 GLN 49 -14.061 -1.053 3.892 387 H GLN 50 H GLN 50 -10.829 1.464 -0.999 388 HA GLN 50 HA GLN 50 -11.995 -0.553 -2.629 389 HB2 GLN 50 2HB GLN 50 -10.286 1.851 -3.220 390 HB3 GLN 50 3HB GLN 50 -10.729 0.724 -4.498 391 HG2 GLN 50 2HG GLN 50 -13.061 1.138 -4.161 392 HG3 GLN 50 3HG GLN 50 -12.739 2.087 -2.714 393 HE21 GLN 50 1HE2 GLN 50 -12.068 4.183 -2.914 394 HE22 GLN 50 2HE2 GLN 50 -12.112 5.045 -4.412 395 H LEU 51 H LEU 51 -8.710 -0.085 -1.450 396 HA LEU 51 HA LEU 51 -7.454 -1.962 -3.165 397 HB2 LEU 51 2HB LEU 51 -6.160 -0.389 -1.811 398 HB3 LEU 51 3HB LEU 51 -6.733 -1.158 -0.341 399 HG LEU 51 HG LEU 51 -5.546 -3.232 -0.952 400 HD11 LEU 51 1HD1 LEU 51 -5.611 -3.095 -3.351 401 HD12 LEU 51 2HD1 LEU 51 -3.932 -3.192 -2.823 402 HD13 LEU 51 3HD1 LEU 51 -4.604 -1.645 -3.338 403 HD21 LEU 51 3HD2 LEU 51 -3.787 -0.776 -0.991 404 HD22 LEU 51 1HD2 LEU 51 -3.261 -2.417 -0.615 405 HD23 LEU 51 2HD2 LEU 51 -4.404 -1.596 0.446 406 H LYS 52 H LYS 52 -8.675 -2.370 0.187 407 HA LYS 52 HA LYS 52 -8.277 -5.154 0.301 408 HB2 LYS 52 2HB LYS 52 -9.753 -5.163 2.226 409 HB3 LYS 52 3HB LYS 52 -8.694 -3.762 2.301 410 HG2 LYS 52 2HG LYS 52 -10.533 -2.351 1.463 411 HG3 LYS 52 3HG LYS 52 -11.590 -3.763 1.448 412 HD2 LYS 52 2HD LYS 52 -10.217 -2.632 3.895 413 HD3 LYS 52 3HD LYS 52 -11.902 -2.354 3.456 414 HE2 LYS 52 2HE LYS 52 -10.693 -5.066 4.010 415 HE3 LYS 52 3HE LYS 52 -11.613 -4.116 5.174 416 HZ1 LYS 52 3HZ LYS 52 -13.523 -4.225 3.691 417 HZ2 LYS 52 1HZ LYS 52 -12.999 -5.771 4.120 418 HZ3 LYS 52 2HZ LYS 52 -12.642 -5.154 2.588 419 H ASP 53 H ASP 53 -10.957 -3.222 -0.920 420 HA ASP 53 HA ASP 53 -12.890 -5.220 -1.194 421 HB2 ASP 53 2HB ASP 53 -13.179 -2.714 -1.478 422 HB3 ASP 53 3HB ASP 53 -12.515 -2.902 -3.100 423 H GLU 54 H GLU 54 -10.385 -4.160 -3.507 424 HA GLU 54 HA GLU 54 -10.949 -6.038 -5.533 425 HB2 GLU 54 2HB GLU 54 -8.497 -4.473 -4.773 426 HB3 GLU 54 3HB GLU 54 -8.397 -5.696 -6.032 427 HG2 GLU 54 2HG GLU 54 -10.310 -3.364 -6.063 428 HG3 GLU 54 3HG GLU 54 -8.753 -3.403 -6.891 429 H LEU 55 H LEU 55 -8.673 -6.207 -2.801 430 HA LEU 55 HA LEU 55 -7.614 -8.746 -3.346 431 HB2 LEU 55 2HB LEU 55 -8.006 -7.377 -0.681 432 HB3 LEU 55 3HB LEU 55 -6.991 -8.783 -0.945 433 HG LEU 55 HG LEU 55 -6.551 -6.078 -2.236 434 HD11 LEU 55 1HD1 LEU 55 -6.164 -5.943 0.149 435 HD12 LEU 55 2HD1 LEU 55 -4.628 -5.898 -0.717 436 HD13 LEU 55 3HD1 LEU 55 -5.141 -7.379 0.094 437 HD21 LEU 55 3HD2 LEU 55 -5.715 -7.922 -3.597 438 HD22 LEU 55 1HD2 LEU 55 -4.841 -8.573 -2.211 439 HD23 LEU 55 2HD2 LEU 55 -4.376 -7.014 -2.896 440 H GLU 56 H GLU 56 -10.553 -7.821 -1.623 441 HA GLU 56 HA GLU 56 -11.224 -10.484 -0.781 442 HB2 GLU 56 2HB GLU 56 -12.941 -7.997 -1.024 443 HB3 GLU 56 3HB GLU 56 -13.446 -9.497 -0.255 444 HG2 GLU 56 2HG GLU 56 -11.770 -9.251 1.455 445 HG3 GLU 56 3HG GLU 56 -11.101 -7.835 0.645 446 H ALA 57 H ALA 57 -12.157 -8.404 -3.495 447 HA ALA 57 HA ALA 57 -14.077 -10.078 -4.677 448 HB1 ALA 57 3HB ALA 57 -12.209 -8.105 -6.001 449 HB2 ALA 57 1HB ALA 57 -13.801 -7.751 -5.328 450 HB3 ALA 57 2HB ALA 57 -13.652 -8.802 -6.737 451 H LYS 58 H LYS 58 -10.576 -10.117 -4.806 452 HA LYS 58 HA LYS 58 -10.538 -12.349 -6.685 453 HB2 LYS 58 2HB LYS 58 -8.244 -11.109 -5.142 454 HB3 LYS 58 3HB LYS 58 -8.122 -12.176 -6.538 455 HG2 LYS 58 2HG LYS 58 -9.062 -10.484 -7.977 456 HG3 LYS 58 3HG LYS 58 -9.380 -9.430 -6.597 457 HD2 LYS 58 2HD LYS 58 -6.914 -9.396 -6.158 458 HD3 LYS 58 3HD LYS 58 -6.686 -10.279 -7.668 459 HE2 LYS 58 2HE LYS 58 -7.920 -7.540 -7.353 460 HE3 LYS 58 3HE LYS 58 -6.327 -7.900 -8.015 461 HZ1 LYS 58 3HZ LYS 58 -8.953 -8.627 -9.186 462 HZ2 LYS 58 1HZ LYS 58 -7.471 -9.180 -9.784 463 HZ3 LYS 58 2HZ LYS 58 -7.833 -7.529 -9.808 464 H HIS 59 H HIS 59 -11.682 -13.913 -5.492 465 HA HIS 59 HA HIS 59 -11.235 -14.339 -2.710 466 HB2 HIS 59 2HB HIS 59 -12.798 -15.999 -4.694 467 HB3 HIS 59 3HB HIS 59 -12.877 -16.154 -2.940 468 HD1 HIS 59 HD1 HIS 59 -14.165 -14.137 -5.764 469 HD2 HIS 59 HD2 HIS 59 -14.132 -13.946 -1.615 470 HE1 HIS 59 HE1 HIS 59 -15.874 -12.403 -5.159 471 HE2 HIS 59 HE2 HIS 59 -15.724 -12.191 -2.660 472 H TRP 60 H TRP 60 -9.368 -15.358 -5.266 473 HA TRP 60 HA TRP 60 -8.536 -17.869 -4.090 474 HB2 TRP 60 2HB TRP 60 -6.739 -17.814 -5.842 475 HB3 TRP 60 3HB TRP 60 -8.378 -17.754 -6.471 476 HD1 TRP 60 HD1 TRP 60 -9.220 -15.260 -7.348 477 HE1 TRP 60 HE1 TRP 60 -7.861 -13.408 -8.499 478 HE3 TRP 60 HE3 TRP 60 -4.506 -16.742 -5.994 479 HZ2 TRP 60 HZ2 TRP 60 -5.156 -12.664 -8.800 480 HZ3 TRP 60 HZ3 TRP 60 -2.585 -15.403 -6.769 481 HH2 TRP 60 HH2 TRP 60 -2.908 -13.407 -8.145 482 H ILE 61 H ILE 61 -8.005 -14.704 -3.272 483 HA ILE 61 HA ILE 61 -5.313 -15.019 -2.212 484 HB ILE 61 HB ILE 61 -7.369 -12.805 -2.037 485 HG12 ILE 61 2HG1 ILE 61 -5.682 -11.467 -3.182 486 HG13 ILE 61 3HG1 ILE 61 -4.532 -12.797 -3.108 487 HG21 ILE 61 1HG2 ILE 61 -6.317 -12.918 0.154 488 HG22 ILE 61 2HG2 ILE 61 -5.772 -11.484 -0.715 489 HG23 ILE 61 3HG2 ILE 61 -4.718 -12.893 -0.590 490 HD11 ILE 61 3HD1 ILE 61 -7.113 -12.790 -4.649 491 HD12 ILE 61 1HD1 ILE 61 -5.919 -14.087 -4.625 492 HD13 ILE 61 2HD1 ILE 61 -5.506 -12.519 -5.319 493 H ALA 62 H ALA 62 -4.814 -15.655 -0.137 494 HA ALA 62 HA ALA 62 -6.964 -16.490 1.633 495 HB1 ALA 62 3HB ALA 62 -3.970 -16.610 2.026 496 HB2 ALA 62 1HB ALA 62 -4.984 -17.902 1.389 497 HB3 ALA 62 2HB ALA 62 -5.178 -17.372 3.060 498 H GLU 63 H GLU 63 -7.184 -15.776 3.845 499 HA GLU 63 HA GLU 63 -7.398 -13.039 4.156 500 HB2 GLU 63 2HB GLU 63 -8.535 -14.744 5.572 501 HB3 GLU 63 3HB GLU 63 -7.009 -15.033 6.400 502 HG2 GLU 63 2HG GLU 63 -6.994 -12.671 7.128 503 HG3 GLU 63 3HG GLU 63 -8.566 -12.447 6.364 504 H ALA 64 H ALA 64 -4.832 -15.125 5.506 505 HA ALA 64 HA ALA 64 -3.305 -13.244 6.820 506 HB1 ALA 64 3HB ALA 64 -1.413 -14.758 6.536 507 HB2 ALA 64 1HB ALA 64 -2.276 -15.615 5.260 508 HB3 ALA 64 2HB ALA 64 -2.885 -15.651 6.914 509 H ASP 65 H ASP 65 -3.224 -14.028 3.359 510 HA ASP 65 HA ASP 65 -0.937 -12.474 2.743 511 HB2 ASP 65 2HB ASP 65 -3.185 -13.311 0.902 512 HB3 ASP 65 3HB ASP 65 -1.574 -12.790 0.412 513 H ARG 66 H ARG 66 -4.437 -11.768 2.280 514 HA ARG 66 HA ARG 66 -3.970 -9.148 1.296 515 HB2 ARG 66 2HB ARG 66 -6.364 -8.714 1.684 516 HB3 ARG 66 3HB ARG 66 -6.085 -10.211 0.812 517 HG2 ARG 66 2HG ARG 66 -6.613 -11.525 2.731 518 HG3 ARG 66 3HG ARG 66 -6.615 -10.104 3.778 519 HD2 ARG 66 2HD ARG 66 -8.581 -9.231 2.693 520 HD3 ARG 66 3HD ARG 66 -8.532 -10.503 1.476 521 HE ARG 66 HE ARG 66 -8.982 -12.072 3.376 522 HH11 ARG 66 1HH1 ARG 66 -9.954 -8.777 3.565 523 HH12 ARG 66 2HH1 ARG 66 -11.284 -9.113 4.610 524 HH21 ARG 66 1HH2 ARG 66 -10.698 -12.494 4.700 525 HH22 ARG 66 2HH2 ARG 66 -11.702 -11.197 5.252 526 H ILE 67 H ILE 67 -4.580 -10.375 4.569 527 HA ILE 67 HA ILE 67 -4.777 -7.855 5.831 528 HB ILE 67 HB ILE 67 -3.847 -10.501 6.973 529 HG12 ILE 67 2HG1 ILE 67 -6.143 -10.570 6.140 530 HG13 ILE 67 3HG1 ILE 67 -6.140 -10.614 7.898 531 HG21 ILE 67 1HG2 ILE 67 -4.640 -7.967 8.412 532 HG22 ILE 67 2HG2 ILE 67 -3.034 -8.691 8.373 533 HG23 ILE 67 3HG2 ILE 67 -4.359 -9.528 9.181 534 HD11 ILE 67 3HD1 ILE 67 -7.908 -9.187 7.100 535 HD12 ILE 67 1HD1 ILE 67 -6.760 -8.231 6.165 536 HD13 ILE 67 2HD1 ILE 67 -6.693 -8.210 7.927 537 H ASN 68 H ASN 68 -1.974 -9.912 5.091 538 HA ASN 68 HA ASN 68 0.055 -8.497 6.341 539 HB2 ASN 68 2HB ASN 68 0.490 -10.600 5.200 540 HB3 ASN 68 3HB ASN 68 0.091 -9.880 3.643 541 HD21 ASN 68 1HD2 ASN 68 2.072 -10.271 2.721 542 HD22 ASN 68 2HD2 ASN 68 3.512 -9.456 3.207 543 H VAL 69 H VAL 69 -1.016 -8.031 2.952 544 HA VAL 69 HA VAL 69 0.549 -5.697 2.575 545 HB VAL 69 HB VAL 69 -0.734 -5.357 0.492 546 HG11 VAL 69 1HG1 VAL 69 0.159 -8.203 1.000 547 HG12 VAL 69 2HG1 VAL 69 1.172 -6.863 0.466 548 HG13 VAL 69 3HG1 VAL 69 -0.093 -7.488 -0.593 549 HG21 VAL 69 3HG2 VAL 69 -2.461 -6.975 -0.161 550 HG22 VAL 69 1HG2 VAL 69 -2.942 -6.065 1.271 551 HG23 VAL 69 2HG2 VAL 69 -2.366 -7.725 1.431 552 H LEU 70 H LEU 70 -2.751 -6.145 3.746 553 HA LEU 70 HA LEU 70 -3.522 -3.412 3.530 554 HB2 LEU 70 2HB LEU 70 -4.583 -5.682 5.203 555 HB3 LEU 70 3HB LEU 70 -5.275 -4.071 5.262 556 HG LEU 70 HG LEU 70 -5.144 -5.847 2.815 557 HD11 LEU 70 1HD1 LEU 70 -6.750 -6.629 4.487 558 HD12 LEU 70 2HD1 LEU 70 -7.561 -6.008 3.050 559 HD13 LEU 70 3HD1 LEU 70 -7.498 -5.031 4.518 560 HD21 LEU 70 3HD2 LEU 70 -6.543 -4.147 1.742 561 HD22 LEU 70 1HD2 LEU 70 -4.980 -3.483 2.212 562 HD23 LEU 70 2HD2 LEU 70 -6.414 -3.127 3.175 563 H ASN 71 H ASN 71 -2.073 -5.283 6.193 564 HA ASN 71 HA ASN 71 -2.174 -3.222 8.128 565 HB2 ASN 71 2HB ASN 71 -0.293 -5.576 7.851 566 HB3 ASN 71 3HB ASN 71 -0.302 -4.498 9.243 567 HD21 ASN 71 1HD2 ASN 71 -0.817 -7.321 9.163 568 HD22 ASN 71 2HD2 ASN 71 -2.408 -7.551 9.788 569 H GLN 72 H GLN 72 0.517 -4.256 6.009 570 HA GLN 72 HA GLN 72 2.284 -2.205 6.792 571 HB2 GLN 72 2HB GLN 72 3.602 -2.792 4.824 572 HB3 GLN 72 3HB GLN 72 3.037 -4.240 5.644 573 HG2 GLN 72 2HG GLN 72 1.179 -4.351 3.955 574 HG3 GLN 72 3HG GLN 72 1.990 -3.054 3.085 575 HE21 GLN 72 1HE2 GLN 72 3.611 -5.677 4.768 576 HE22 GLN 72 2HE2 GLN 72 4.251 -6.425 3.354 577 H ALA 73 H ALA 73 -0.164 -2.320 4.213 578 HA ALA 73 HA ALA 73 0.382 0.196 3.057 579 HB1 ALA 73 3HB ALA 73 -1.914 0.104 2.193 580 HB2 ALA 73 1HB ALA 73 -2.272 -1.237 3.283 581 HB3 ALA 73 2HB ALA 73 -1.089 -1.442 1.991 582 H THR 74 H THR 74 -1.842 -0.727 5.692 583 HA THR 74 HA THR 74 -2.903 1.762 6.330 584 HB THR 74 HB THR 74 -2.163 -0.461 8.262 585 HG1 THR 74 HG1 THR 74 -3.775 -1.394 7.252 586 HG21 THR 74 3HG2 THR 74 -3.804 0.533 9.783 587 HG22 THR 74 1HG2 THR 74 -4.068 1.859 8.650 588 HG23 THR 74 2HG2 THR 74 -2.502 1.673 9.440 589 H GLU 75 H GLU 75 0.100 0.270 7.541 590 HA GLU 75 HA GLU 75 0.921 2.365 9.206 591 HB2 GLU 75 2HB GLU 75 2.572 0.351 7.673 592 HB3 GLU 75 3HB GLU 75 3.240 1.456 8.866 593 HG2 GLU 75 2HG GLU 75 1.606 0.451 10.522 594 HG3 GLU 75 3HG GLU 75 1.297 -0.794 9.311 595 H VAL 76 H VAL 76 1.640 1.821 5.744 596 HA VAL 76 HA VAL 76 3.299 4.053 5.352 597 HB VAL 76 HB VAL 76 1.402 2.772 3.364 598 HG11 VAL 76 1HG1 VAL 76 3.739 4.635 2.910 599 HG12 VAL 76 2HG1 VAL 76 2.038 4.985 2.599 600 HG13 VAL 76 3HG1 VAL 76 2.875 3.765 1.641 601 HG21 VAL 76 3HG2 VAL 76 3.397 1.567 2.578 602 HG22 VAL 76 1HG2 VAL 76 3.024 1.186 4.261 603 HG23 VAL 76 2HG2 VAL 76 4.343 2.294 3.877 604 H ILE 77 H ILE 77 -0.233 3.769 5.006 605 HA ILE 77 HA ILE 77 -0.802 6.392 4.204 606 HB ILE 77 HB ILE 77 -2.465 4.459 5.838 607 HG12 ILE 77 2HG1 ILE 77 -2.518 5.153 2.883 608 HG13 ILE 77 3HG1 ILE 77 -1.849 3.679 3.576 609 HG21 ILE 77 1HG2 ILE 77 -4.418 5.813 5.222 610 HG22 ILE 77 2HG2 ILE 77 -3.354 7.002 4.469 611 HG23 ILE 77 3HG2 ILE 77 -3.279 6.730 6.210 612 HD11 ILE 77 3HD1 ILE 77 -4.737 4.525 3.655 613 HD12 ILE 77 1HD1 ILE 77 -4.076 3.055 4.373 614 HD13 ILE 77 2HD1 ILE 77 -4.034 3.278 2.625 615 H ASN 78 H ASN 78 -0.818 5.024 7.501 616 HA ASN 78 HA ASN 78 -1.344 7.516 8.781 617 HB2 ASN 78 2HB ASN 78 -0.330 4.876 9.853 618 HB3 ASN 78 3HB ASN 78 -0.725 6.259 10.874 619 HD21 ASN 78 1HD2 ASN 78 -1.950 3.580 10.698 620 HD22 ASN 78 2HD2 ASN 78 -3.626 3.863 10.387 621 H PHE 79 H PHE 79 1.602 5.909 7.816 622 HA PHE 79 HA PHE 79 3.403 7.488 9.368 623 HB2 PHE 79 2HB PHE 79 4.039 5.312 8.380 624 HB3 PHE 79 3HB PHE 79 3.882 5.997 6.769 625 HD1 PHE 79 HD2 PHE 79 5.726 6.542 9.975 626 HD2 PHE 79 HD1 PHE 79 5.780 6.830 5.720 627 HE1 PHE 79 HE2 PHE 79 8.091 7.219 10.050 628 HE2 PHE 79 HE1 PHE 79 8.145 7.503 5.798 629 HZ PHE 79 HZ PHE 79 9.302 7.699 7.961 630 H TRP 80 H TRP 80 2.295 7.678 5.986 631 HA TRP 80 HA TRP 80 3.585 10.010 5.195 632 HB2 TRP 80 2HB TRP 80 2.319 8.577 3.650 633 HB3 TRP 80 3HB TRP 80 0.813 9.037 4.432 634 HD1 TRP 80 HD1 TRP 80 3.541 10.479 2.126 635 HE1 TRP 80 HE1 TRP 80 2.552 12.495 0.873 636 HE3 TRP 80 HE3 TRP 80 -0.961 10.800 4.525 637 HZ2 TRP 80 HZ2 TRP 80 0.188 14.032 0.908 638 HZ3 TRP 80 HZ3 TRP 80 -2.532 12.574 3.859 639 HH2 TRP 80 HH2 TRP 80 -1.967 14.157 2.085 640 H GLN 81 H GLN 81 0.406 9.654 6.757 641 HA GLN 81 HA GLN 81 -0.212 12.373 7.063 642 HB2 GLN 81 2HB GLN 81 -1.868 10.614 7.427 643 HB3 GLN 81 3HB GLN 81 -0.958 10.004 8.804 644 HG2 GLN 81 2HG GLN 81 -1.377 12.134 9.987 645 HG3 GLN 81 3HG GLN 81 -2.348 12.678 8.618 646 HE21 GLN 81 1HE2 GLN 81 -4.366 11.760 8.276 647 HE22 GLN 81 2HE2 GLN 81 -5.168 10.816 9.477 648 H ASP 82 H ASP 82 1.506 10.150 9.242 649 HA ASP 82 HA ASP 82 1.907 11.861 11.409 650 HB2 ASP 82 2HB ASP 82 2.304 9.432 11.474 651 HB3 ASP 82 3HB ASP 82 3.699 9.627 10.417 652 H LEU 83 H LEU 83 3.816 11.444 8.456 653 HA LEU 83 HA LEU 83 5.919 13.216 9.179 654 HB2 LEU 83 2HB LEU 83 4.919 12.511 6.413 655 HB3 LEU 83 3HB LEU 83 6.463 13.254 6.790 656 HG LEU 83 HG LEU 83 5.589 10.449 7.491 657 HD11 LEU 83 1HD1 LEU 83 7.743 11.464 5.640 658 HD12 LEU 83 2HD1 LEU 83 6.209 10.742 5.155 659 HD13 LEU 83 3HD1 LEU 83 7.407 9.773 6.010 660 HD21 LEU 83 3HD2 LEU 83 7.821 10.137 8.432 661 HD22 LEU 83 1HD2 LEU 83 6.927 11.377 9.311 662 HD23 LEU 83 2HD2 LEU 83 8.184 11.842 8.162 663 H LYS 84 H LYS 84 2.733 13.690 7.801 664 HA LYS 84 HA LYS 84 3.144 16.321 6.797 665 HB2 LYS 84 2HB LYS 84 1.305 14.938 5.989 666 HB3 LYS 84 3HB LYS 84 0.598 14.893 7.598 667 HG2 LYS 84 2HG LYS 84 -0.667 16.467 6.415 668 HG3 LYS 84 3HG LYS 84 0.405 17.421 7.438 669 HD2 LYS 84 2HD LYS 84 0.602 18.526 5.412 670 HD3 LYS 84 3HD LYS 84 1.965 17.409 5.327 671 HE2 LYS 84 2HE LYS 84 0.720 17.433 3.221 672 HE3 LYS 84 3HE LYS 84 0.611 15.855 4.003 673 HZ1 LYS 84 3HZ LYS 84 -1.528 16.650 3.119 674 HZ2 LYS 84 1HZ LYS 84 -1.475 17.963 4.184 675 HZ3 LYS 84 2HZ LYS 84 -1.578 16.387 4.784 676 H ASN 85 H ASN 85 1.623 15.155 9.842 677 HA ASN 85 HA ASN 85 1.087 17.790 10.791 678 HB2 ASN 85 2HB ASN 85 0.718 16.643 13.021 679 HB3 ASN 85 3HB ASN 85 -0.270 16.064 11.686 680 HD21 ASN 85 1HD2 ASN 85 2.488 15.342 13.710 681 HD22 ASN 85 2HD2 ASN 85 2.491 13.639 13.407 682 H GLN 86 H GLN 86 3.773 15.541 11.336 683 HA GLN 86 HA GLN 86 5.140 17.324 13.142 684 HB2 GLN 86 2HB GLN 86 6.003 14.820 11.692 685 HB3 GLN 86 3HB GLN 86 7.090 15.742 12.725 686 HG2 GLN 86 2HG GLN 86 5.576 15.384 14.621 687 HG3 GLN 86 3HG GLN 86 4.513 14.431 13.582 688 HE21 GLN 86 1HE2 GLN 86 5.189 12.381 12.919 689 HE22 GLN 86 2HE2 GLN 86 6.491 11.555 13.691 690 H ASN 87 H ASN 87 4.790 17.187 9.761 691 HA ASN 87 HA ASN 87 5.676 18.368 8.036 692 HB2 ASN 87 2HB ASN 87 6.653 20.151 10.281 693 HB3 ASN 87 3HB ASN 87 6.678 20.586 8.573 694 HD21 ASN 87 1HD2 ASN 87 4.673 20.030 11.351 695 HD22 ASN 87 2HD2 ASN 87 3.243 20.747 10.701 696 H LYS 88 H LYS 88 7.303 16.205 9.204 697 HA LYS 88 HA LYS 88 10.030 16.844 9.344 698 HB2 LYS 88 2HB LYS 88 8.769 14.270 8.357 699 HB3 LYS 88 3HB LYS 88 10.462 14.464 8.788 700 HG2 LYS 88 2HG LYS 88 9.716 15.059 11.110 701 HG3 LYS 88 3HG LYS 88 8.076 14.616 10.621 702 HD2 LYS 88 2HD LYS 88 8.957 12.356 9.988 703 HD3 LYS 88 3HD LYS 88 10.513 12.824 10.675 704 HE2 LYS 88 2HE LYS 88 7.888 12.648 12.161 705 HE3 LYS 88 3HE LYS 88 9.207 11.483 12.247 706 HZ1 LYS 88 3HZ LYS 88 9.155 13.046 14.127 707 HZ2 LYS 88 1HZ LYS 88 9.431 14.328 13.060 708 HZ3 LYS 88 2HZ LYS 88 10.601 13.128 13.256 709 H GLN 89 H GLN 89 8.049 15.942 6.540 710 HA GLN 89 HA GLN 89 8.369 16.074 4.291 711 HB2 GLN 89 2HB GLN 89 10.211 18.353 5.068 712 HB3 GLN 89 3HB GLN 89 9.541 18.081 3.464 713 HG2 GLN 89 2HG GLN 89 7.276 18.410 4.360 714 HG3 GLN 89 3HG GLN 89 7.958 18.702 5.960 715 HE21 GLN 89 1HE2 GLN 89 7.144 20.787 6.089 716 HE22 GLN 89 2HE2 GLN 89 7.755 22.083 5.133 717 H ILE 90 H ILE 90 9.930 14.116 5.496 718 HA ILE 90 HA ILE 90 12.681 14.241 4.780 719 HB ILE 90 HB ILE 90 12.745 11.831 5.301 720 HG12 ILE 90 2HG1 ILE 90 9.752 12.112 5.721 721 HG13 ILE 90 3HG1 ILE 90 10.514 11.225 4.405 722 HG21 ILE 90 1HG2 ILE 90 11.198 13.465 7.323 723 HG22 ILE 90 2HG2 ILE 90 12.946 13.491 7.094 724 HG23 ILE 90 3HG2 ILE 90 12.156 12.024 7.669 725 HD11 ILE 90 3HD1 ILE 90 10.706 10.567 7.338 726 HD12 ILE 90 1HD1 ILE 90 11.505 9.687 6.035 727 HD13 ILE 90 2HD1 ILE 90 9.744 9.714 6.129 728 H SER 91 H SER 91 13.543 12.171 3.503 729 HA SER 91 HA SER 91 12.582 12.552 0.767 730 HB2 SER 91 2HB SER 91 14.695 11.502 0.091 731 HB3 SER 91 3HB SER 91 14.993 12.808 1.239 732 HG SER 91 HG SER 91 15.609 11.399 2.723 733 H MET 92 H MET 92 12.531 10.685 -0.726 734 HA MET 92 HA MET 92 10.858 8.594 0.108 735 HB2 MET 92 2HB MET 92 10.950 9.259 -2.206 736 HB3 MET 92 3HB MET 92 12.658 8.864 -2.310 737 HG2 MET 92 2HG MET 92 10.560 6.785 -1.745 738 HG3 MET 92 3HG MET 92 11.023 7.250 -3.381 739 HE1 MET 92 3HE MET 92 12.784 3.784 -3.048 740 HE2 MET 92 1HE MET 92 11.676 4.780 -3.994 741 HE3 MET 92 2HE MET 92 11.214 4.229 -2.383 742 H ALA 93 H ALA 93 14.389 8.725 -0.205 743 HA ALA 93 HA ALA 93 14.984 6.029 0.285 744 HB1 ALA 93 3HB ALA 93 16.609 8.444 1.103 745 HB2 ALA 93 1HB ALA 93 16.638 7.680 -0.488 746 HB3 ALA 93 2HB ALA 93 17.204 6.791 0.927 747 H GLU 94 H GLU 94 14.390 8.699 2.549 748 HA GLU 94 HA GLU 94 14.929 7.197 4.908 749 HB2 GLU 94 2HB GLU 94 13.325 9.730 4.508 750 HB3 GLU 94 3HB GLU 94 13.757 9.062 6.079 751 HG2 GLU 94 2HG GLU 94 16.114 9.336 5.592 752 HG3 GLU 94 3HG GLU 94 15.737 9.902 3.967 753 H ALA 95 H ALA 95 12.009 7.719 2.994 754 HA ALA 95 HA ALA 95 10.160 6.442 4.688 755 HB1 ALA 95 3HB ALA 95 10.207 6.442 1.665 756 HB2 ALA 95 1HB ALA 95 9.505 7.700 2.681 757 HB3 ALA 95 2HB ALA 95 8.813 6.077 2.684 758 H GLN 96 H GLN 96 12.427 5.134 2.298 759 HA GLN 96 HA GLN 96 11.746 2.404 2.542 760 HB2 GLN 96 2HB GLN 96 14.331 3.771 1.769 761 HB3 GLN 96 3HB GLN 96 14.127 2.026 1.723 762 HG2 GLN 96 2HG GLN 96 12.367 3.941 0.205 763 HG3 GLN 96 3HG GLN 96 13.823 3.207 -0.465 764 HE21 GLN 96 1HE2 GLN 96 10.580 2.599 0.667 765 HE22 GLN 96 2HE2 GLN 96 10.414 1.044 -0.061 766 H GLY 97 H GLY 97 13.373 4.514 4.712 767 HA2 GLY 97 2HA GLY 97 14.852 2.622 6.220 768 HA3 GLY 97 3HA GLY 97 14.284 4.181 6.797 769 H LYS 98 H LYS 98 11.518 3.785 6.472 770 HA LYS 98 HA LYS 98 10.951 2.082 8.757 771 HB2 LYS 98 2HB LYS 98 9.911 4.448 8.016 772 HB3 LYS 98 3HB LYS 98 8.752 3.400 7.215 773 HG2 LYS 98 2HG LYS 98 9.398 3.397 10.165 774 HG3 LYS 98 3HG LYS 98 7.971 4.110 9.418 775 HD2 LYS 98 2HD LYS 98 7.262 1.878 8.660 776 HD3 LYS 98 3HD LYS 98 8.697 1.171 9.404 777 HE2 LYS 98 2HE LYS 98 7.919 2.051 11.601 778 HE3 LYS 98 3HE LYS 98 6.439 2.594 10.816 779 HZ1 LYS 98 3HZ LYS 98 7.335 -0.231 10.809 780 HZ2 LYS 98 1HZ LYS 98 5.819 0.368 10.355 781 HZ3 LYS 98 2HZ LYS 98 6.296 0.406 11.978 782 H PHE 99 H PHE 99 10.212 2.165 5.281 783 HA PHE 99 HA PHE 99 9.079 -0.563 5.496 784 HB2 PHE 99 2HB PHE 99 8.275 1.552 3.483 785 HB3 PHE 99 3HB PHE 99 7.546 -0.037 3.692 786 HD1 PHE 99 HD2 PHE 99 6.304 -0.532 5.821 787 HD2 PHE 99 HD1 PHE 99 7.559 3.397 4.758 788 HE1 PHE 99 HE2 PHE 99 4.697 0.416 7.422 789 HE2 PHE 99 HE1 PHE 99 5.956 4.345 6.362 790 HZ PHE 99 HZ PHE 99 4.519 2.853 7.697 791 HA PRO 100 HA PRO 100 12.725 -0.665 2.547 792 HB2 PRO 100 2HB PRO 100 13.959 -2.823 3.622 793 HB3 PRO 100 3HB PRO 100 14.209 -1.184 4.236 794 HG2 PRO 100 2HG PRO 100 12.411 -3.345 5.287 795 HG3 PRO 100 3HG PRO 100 13.504 -2.268 6.180 796 HD2 PRO 100 2HD PRO 100 10.831 -1.814 6.011 797 HD3 PRO 100 3HD PRO 100 12.017 -0.496 6.113 798 H GLU 101 H GLU 101 10.296 -2.894 3.586 799 HA GLU 101 HA GLU 101 10.821 -4.728 1.358 800 HB2 GLU 101 2HB GLU 101 8.815 -5.013 3.609 801 HB3 GLU 101 3HB GLU 101 9.288 -6.257 2.457 802 HG2 GLU 101 2HG GLU 101 11.615 -6.108 3.359 803 HG3 GLU 101 3HG GLU 101 11.007 -5.013 4.597 804 H VAL 102 H VAL 102 9.267 -1.914 1.630 805 HA VAL 102 HA VAL 102 7.025 -2.721 -0.127 806 HB VAL 102 HB VAL 102 7.299 -0.217 1.562 807 HG11 VAL 102 1HG1 VAL 102 5.008 -1.102 -0.202 808 HG12 VAL 102 2HG1 VAL 102 6.108 0.238 -0.529 809 HG13 VAL 102 3HG1 VAL 102 5.017 0.312 0.854 810 HG21 VAL 102 3HG2 VAL 102 5.462 -2.602 1.854 811 HG22 VAL 102 1HG2 VAL 102 5.399 -1.136 2.833 812 HG23 VAL 102 2HG2 VAL 102 6.812 -2.187 2.911 813 H VAL 103 H VAL 103 6.906 -1.880 -2.167 814 HA VAL 103 HA VAL 103 9.302 -0.503 -3.130 815 HB VAL 103 HB VAL 103 7.000 -1.662 -4.726 816 HG11 VAL 103 1HG1 VAL 103 9.756 -0.778 -5.606 817 HG12 VAL 103 2HG1 VAL 103 8.239 0.050 -5.957 818 HG13 VAL 103 3HG1 VAL 103 8.546 -1.551 -6.632 819 HG21 VAL 103 3HG2 VAL 103 8.160 -3.391 -3.428 820 HG22 VAL 103 1HG2 VAL 103 9.703 -2.868 -4.102 821 HG23 VAL 103 2HG2 VAL 103 8.473 -3.570 -5.154 822 H PHE 104 H PHE 104 9.231 1.674 -2.949 823 HA PHE 104 HA PHE 104 6.731 3.123 -3.425 824 HB2 PHE 104 2HB PHE 104 9.432 3.990 -2.387 825 HB3 PHE 104 3HB PHE 104 8.151 5.137 -2.755 826 HD1 PHE 104 HD1 PHE 104 8.815 2.069 -0.731 827 HD2 PHE 104 HD2 PHE 104 6.638 5.711 -1.096 828 HE1 PHE 104 HE1 PHE 104 7.895 1.741 1.526 829 HE2 PHE 104 HE2 PHE 104 5.713 5.385 1.161 830 HZ PHE 104 HZ PHE 104 6.340 3.398 2.476 831 H SER 105 H SER 105 6.294 4.293 -5.216 832 HA SER 105 HA SER 105 8.325 4.402 -7.342 833 HB2 SER 105 2HB SER 105 6.118 3.420 -7.938 834 HB3 SER 105 3HB SER 105 5.348 4.957 -7.536 835 HG SER 105 HG SER 105 5.699 5.075 -9.693 836 H GLY 106 H GLY 106 8.460 6.379 -8.651 837 HA2 GLY 106 2HA GLY 106 8.022 8.815 -7.021 838 HA3 GLY 106 3HA GLY 106 9.547 8.502 -7.828 839 H SER 107 H SER 107 9.833 9.396 -9.780 840 HA SER 107 HA SER 107 7.771 11.094 -10.849 841 HB2 SER 107 2HB SER 107 10.571 10.511 -11.844 842 HB3 SER 107 3HB SER 107 9.516 11.771 -12.485 843 HG SER 107 HG SER 107 10.793 12.746 -10.974 844 H ASN 108 H ASN 108 7.063 8.298 -11.095 845 HA ASN 108 HA ASN 108 6.406 8.307 -13.923 846 HB2 ASN 108 2HB ASN 108 8.591 7.048 -13.724 847 HB3 ASN 108 3HB ASN 108 7.752 5.863 -12.729 848 HD21 ASN 108 1HD2 ASN 108 8.075 7.214 -15.909 849 HD22 ASN 108 2HD2 ASN 108 7.259 5.943 -16.750 850 H LEU 109 H LEU 109 4.341 7.610 -14.212 851 HA LEU 109 HA LEU 109 3.125 5.844 -12.248 852 HB2 LEU 109 2HB LEU 109 1.204 7.316 -11.828 853 HB3 LEU 109 3HB LEU 109 2.704 7.968 -11.220 854 HG LEU 109 HG LEU 109 1.401 9.770 -12.071 855 HD11 LEU 109 1HD1 LEU 109 3.543 9.213 -14.112 856 HD12 LEU 109 2HD1 LEU 109 3.805 9.912 -12.516 857 HD13 LEU 109 3HD1 LEU 109 2.843 10.781 -13.711 858 HD21 LEU 109 3HD2 LEU 109 0.586 9.928 -14.355 859 HD22 LEU 109 1HD2 LEU 109 -0.101 8.527 -13.532 860 HD23 LEU 109 2HD2 LEU 109 1.201 8.312 -14.704 861 H GLU 110 H GLU 110 0.705 5.491 -12.852 862 HA GLU 110 HA GLU 110 0.824 3.973 -15.192 863 HB2 GLU 110 2HB GLU 110 -1.586 4.827 -13.582 864 HB3 GLU 110 3HB GLU 110 -1.619 3.600 -14.837 865 HG2 GLU 110 2HG GLU 110 -0.065 2.225 -13.546 866 HG3 GLU 110 3HG GLU 110 -0.018 3.461 -12.286 867 H HIS 111 H HIS 111 -1.277 6.851 -14.655 868 HA HIS 111 HA HIS 111 -2.602 8.045 -16.061 869 HB2 HIS 111 2HB HIS 111 -0.807 6.935 -18.235 870 HB3 HIS 111 3HB HIS 111 -2.112 8.074 -18.535 871 HD1 HIS 111 HD1 HIS 111 1.415 7.928 -17.716 872 HD2 HIS 111 HD2 HIS 111 -1.692 10.629 -17.141 873 HE1 HIS 111 HE1 HIS 111 2.519 10.127 -17.214 874 HE2 HIS 111 HE2 HIS 111 0.625 11.755 -16.907 875 H HIS 112 H HIS 112 -1.911 4.786 -17.284 876 HA HIS 112 HA HIS 112 -4.164 3.827 -18.347 877 HB2 HIS 112 2HB HIS 112 -2.421 2.308 -17.926 878 HB3 HIS 112 3HB HIS 112 -2.361 2.701 -16.217 879 HD1 HIS 112 HD1 HIS 112 -3.572 1.170 -14.668 880 HD2 HIS 112 HD2 HIS 112 -4.707 0.615 -18.632 881 HE1 HIS 112 HE1 HIS 112 -5.018 -0.878 -14.675 882 HE2 HIS 112 HE2 HIS 112 -5.494 -1.316 -17.103 883 H HIS 113 H HIS 113 -6.276 3.362 -17.792 884 HA HIS 113 HA HIS 113 -7.503 4.898 -15.800 885 HB2 HIS 113 2HB HIS 113 -8.518 2.549 -17.402 886 HB3 HIS 113 3HB HIS 113 -9.538 3.437 -16.276 887 HD1 HIS 113 HD1 HIS 113 -10.390 5.714 -16.992 888 HD2 HIS 113 HD2 HIS 113 -7.800 4.003 -19.751 889 HE1 HIS 113 HE1 HIS 113 -10.608 7.103 -19.064 890 HE2 HIS 113 HE2 HIS 113 -9.227 5.897 -20.781 891 H HIS 114 H HIS 114 -8.240 4.537 -13.784 892 HA HIS 114 HA HIS 114 -7.508 2.022 -12.451 893 HB2 HIS 114 2HB HIS 114 -8.356 4.703 -11.304 894 HB3 HIS 114 3HB HIS 114 -7.925 3.287 -10.349 895 HD1 HIS 114 HD1 HIS 114 -6.033 4.878 -9.327 896 HD2 HIS 114 HD2 HIS 114 -5.552 3.837 -13.311 897 HE1 HIS 114 HE1 HIS 114 -3.652 5.407 -9.873 898 HE2 HIS 114 HE2 HIS 114 -3.326 4.443 -12.161 899 H HIS 115 H HIS 115 -9.092 0.556 -12.705 900 HA HIS 115 HA HIS 115 -11.620 1.004 -13.643 901 HB2 HIS 115 2HB HIS 115 -10.446 -1.190 -13.589 902 HB3 HIS 115 3HB HIS 115 -10.837 -1.322 -11.876 903 HD1 HIS 115 HD1 HIS 115 -13.481 -1.426 -11.319 904 HD2 HIS 115 HD2 HIS 115 -12.401 -2.053 -15.284 905 HE1 HIS 115 HE1 HIS 115 -15.489 -2.463 -12.411 906 HE2 HIS 115 HE2 HIS 115 -14.730 -3.024 -14.742 907 H HIS 116 H HIS 116 -13.150 2.249 -12.776 908 HA HIS 116 HA HIS 116 -14.059 1.610 -10.031 909 HB2 HIS 116 2HB HIS 116 -14.437 4.188 -11.584 910 HB3 HIS 116 3HB HIS 116 -15.142 3.848 -10.009 911 HD1 HIS 116 HD1 HIS 116 -13.116 3.152 -8.157 912 HD2 HIS 116 HD2 HIS 116 -12.163 5.622 -11.361 913 HE1 HIS 116 HE1 HIS 116 -11.028 4.363 -7.473 914 HE2 HIS 116 HE2 HIS 116 -10.597 5.997 -9.338 Start of MODEL 3 1 H1 MET 1 1H MET 1 7.025 -33.385 -8.149 2 H2 MET 1 2H MET 1 5.690 -34.342 -7.749 3 H3 MET 1 3H MET 1 6.891 -34.048 -6.599 4 HA MET 1 HA MET 1 6.352 -31.715 -6.546 5 HB2 MET 1 2HB MET 1 4.205 -32.500 -8.533 6 HB3 MET 1 3HB MET 1 4.268 -30.950 -7.704 7 HG2 MET 1 2HG MET 1 6.423 -30.479 -8.759 8 HG3 MET 1 3HG MET 1 6.344 -32.028 -9.602 9 HE1 MET 1 3HE MET 1 3.222 -32.195 -10.324 10 HE2 MET 1 1HE MET 1 4.514 -32.613 -11.449 11 HE3 MET 1 2HE MET 1 3.237 -31.505 -11.947 12 H ALA 2 H ALA 2 5.884 -32.048 -4.403 13 HA ALA 2 HA ALA 2 3.628 -33.574 -3.500 14 HB1 ALA 2 3HB ALA 2 4.159 -32.699 -1.287 15 HB2 ALA 2 1HB ALA 2 5.270 -31.526 -1.999 16 HB3 ALA 2 2HB ALA 2 5.622 -33.250 -2.101 17 H ALA 3 H ALA 3 4.283 -30.144 -4.008 18 HA ALA 3 HA ALA 3 1.400 -29.566 -3.713 19 HB1 ALA 3 3HB ALA 3 2.845 -28.297 -2.182 20 HB2 ALA 3 1HB ALA 3 2.028 -27.237 -3.331 21 HB3 ALA 3 2HB ALA 3 3.729 -27.644 -3.561 22 H SER 4 H SER 4 0.329 -29.316 -5.585 23 HA SER 4 HA SER 4 1.822 -28.905 -8.064 24 HB2 SER 4 2HB SER 4 -0.338 -29.429 -9.182 25 HB3 SER 4 3HB SER 4 0.174 -30.696 -8.067 26 HG SER 4 HG SER 4 -1.934 -30.371 -7.598 27 H THR 5 H THR 5 -0.442 -27.201 -6.005 28 HA THR 5 HA THR 5 -0.976 -25.093 -7.908 29 HB THR 5 HB THR 5 -1.508 -25.162 -4.919 30 HG1 THR 5 HG1 THR 5 -3.761 -25.318 -6.231 31 HG21 THR 5 3HG2 THR 5 -3.086 -23.336 -5.356 32 HG22 THR 5 1HG2 THR 5 -2.606 -23.319 -7.053 33 HG23 THR 5 2HG2 THR 5 -1.445 -22.869 -5.804 34 H VAL 6 H VAL 6 0.640 -23.732 -8.467 35 HA VAL 6 HA VAL 6 2.873 -23.125 -6.824 36 HB VAL 6 HB VAL 6 3.033 -22.954 -9.248 37 HG11 VAL 6 1HG1 VAL 6 0.786 -22.195 -9.780 38 HG12 VAL 6 2HG1 VAL 6 1.976 -21.099 -10.482 39 HG13 VAL 6 3HG1 VAL 6 1.108 -20.637 -9.019 40 HG21 VAL 6 3HG2 VAL 6 4.572 -21.617 -7.895 41 HG22 VAL 6 1HG2 VAL 6 3.433 -20.268 -7.918 42 HG23 VAL 6 2HG2 VAL 6 4.198 -20.805 -9.415 43 H HIS 7 H HIS 7 3.115 -21.672 -5.225 44 HA HIS 7 HA HIS 7 0.865 -20.082 -4.397 45 HB2 HIS 7 2HB HIS 7 2.256 -21.174 -2.716 46 HB3 HIS 7 3HB HIS 7 3.665 -20.267 -3.257 47 HD1 HIS 7 HD1 HIS 7 3.962 -17.916 -2.336 48 HD2 HIS 7 HD2 HIS 7 0.297 -19.597 -1.311 49 HE1 HIS 7 HE1 HIS 7 2.958 -16.364 -0.633 50 HE2 HIS 7 HE2 HIS 7 0.745 -17.395 -0.027 51 H THR 8 H THR 8 0.406 -18.249 -5.431 52 HA THR 8 HA THR 8 2.465 -16.489 -6.479 53 HB THR 8 HB THR 8 -0.551 -16.184 -6.384 54 HG1 THR 8 HG1 THR 8 -0.499 -17.253 -8.207 55 HG21 THR 8 3HG2 THR 8 1.497 -14.475 -7.814 56 HG22 THR 8 1HG2 THR 8 0.508 -13.975 -6.443 57 HG23 THR 8 2HG2 THR 8 -0.251 -14.344 -7.991 58 H SER 9 H SER 9 3.563 -15.259 -5.047 59 HA SER 9 HA SER 9 2.357 -14.357 -2.571 60 HB2 SER 9 2HB SER 9 4.734 -15.035 -2.632 61 HB3 SER 9 3HB SER 9 5.081 -13.705 -3.736 62 HG SER 9 HG SER 9 4.484 -13.655 -0.994 63 H PHE 10 H PHE 10 2.984 -11.883 -2.006 64 HA PHE 10 HA PHE 10 1.999 -10.212 -4.230 65 HB2 PHE 10 2HB PHE 10 0.911 -10.162 -1.400 66 HB3 PHE 10 3HB PHE 10 0.434 -9.077 -2.704 67 HD1 PHE 10 HD1 PHE 10 -0.816 -9.977 -4.663 68 HD2 PHE 10 HD2 PHE 10 0.006 -12.357 -1.225 69 HE1 PHE 10 HE1 PHE 10 -2.545 -11.584 -5.362 70 HE2 PHE 10 HE2 PHE 10 -1.721 -13.963 -1.920 71 HZ PHE 10 HZ PHE 10 -2.996 -13.579 -3.991 72 H ILE 11 H ILE 11 2.739 -8.132 -4.316 73 HA ILE 11 HA ILE 11 4.668 -7.269 -2.237 74 HB ILE 11 HB ILE 11 4.802 -6.647 -5.201 75 HG12 ILE 11 2HG1 ILE 11 6.475 -8.541 -3.520 76 HG13 ILE 11 3HG1 ILE 11 5.363 -8.988 -4.809 77 HG21 ILE 11 1HG2 ILE 11 7.003 -5.679 -4.684 78 HG22 ILE 11 2HG2 ILE 11 6.732 -5.989 -2.969 79 HG23 ILE 11 3HG2 ILE 11 5.702 -4.845 -3.831 80 HD11 ILE 11 3HD1 ILE 11 6.789 -7.870 -6.438 81 HD12 ILE 11 1HD1 ILE 11 7.675 -9.102 -5.543 82 HD13 ILE 11 2HD1 ILE 11 7.899 -7.399 -5.150 83 H LEU 12 H LEU 12 4.499 -5.179 -1.492 84 HA LEU 12 HA LEU 12 2.227 -3.593 -2.470 85 HB2 LEU 12 2HB LEU 12 2.295 -4.097 -0.064 86 HB3 LEU 12 3HB LEU 12 3.858 -3.308 0.062 87 HG LEU 12 HG LEU 12 2.775 -1.161 -0.636 88 HD11 LEU 12 1HD1 LEU 12 0.846 -2.082 -1.817 89 HD12 LEU 12 2HD1 LEU 12 0.338 -0.978 -0.540 90 HD13 LEU 12 3HD1 LEU 12 0.208 -2.721 -0.300 91 HD21 LEU 12 3HD2 LEU 12 1.700 -0.732 1.516 92 HD22 LEU 12 1HD2 LEU 12 3.197 -1.643 1.714 93 HD23 LEU 12 2HD2 LEU 12 1.640 -2.466 1.839 94 H LYS 13 H LYS 13 2.713 -2.108 -3.975 95 HA LYS 13 HA LYS 13 5.222 -0.583 -3.715 96 HB2 LYS 13 2HB LYS 13 3.386 -0.908 -6.101 97 HB3 LYS 13 3HB LYS 13 4.781 0.161 -6.065 98 HG2 LYS 13 2HG LYS 13 6.125 -1.963 -5.465 99 HG3 LYS 13 3HG LYS 13 4.704 -2.835 -6.047 100 HD2 LYS 13 2HD LYS 13 5.953 -0.692 -7.738 101 HD3 LYS 13 3HD LYS 13 6.670 -2.300 -7.685 102 HE2 LYS 13 2HE LYS 13 5.100 -1.949 -9.584 103 HE3 LYS 13 3HE LYS 13 4.665 -3.296 -8.538 104 HZ1 LYS 13 3HZ LYS 13 3.457 -0.610 -8.251 105 HZ2 LYS 13 1HZ LYS 13 2.914 -2.077 -7.600 106 HZ3 LYS 13 2HZ LYS 13 2.809 -1.798 -9.261 107 H VAL 14 H VAL 14 5.200 1.551 -3.275 108 HA VAL 14 HA VAL 14 2.569 2.886 -3.070 109 HB VAL 14 HB VAL 14 4.932 3.216 -1.200 110 HG11 VAL 14 1HG1 VAL 14 3.725 5.308 -1.469 111 HG12 VAL 14 2HG1 VAL 14 3.405 4.628 0.125 112 HG13 VAL 14 3HG1 VAL 14 2.194 4.493 -1.150 113 HG21 VAL 14 3HG2 VAL 14 3.472 2.190 0.493 114 HG22 VAL 14 1HG2 VAL 14 3.775 1.090 -0.852 115 HG23 VAL 14 2HG2 VAL 14 2.232 1.934 -0.734 116 H LEU 15 H LEU 15 2.390 4.597 -4.373 117 HA LEU 15 HA LEU 15 4.699 5.950 -5.482 118 HB2 LEU 15 2HB LEU 15 2.341 5.446 -6.557 119 HB3 LEU 15 3HB LEU 15 1.872 6.937 -5.768 120 HG LEU 15 HG LEU 15 4.088 6.673 -7.817 121 HD11 LEU 15 1HD1 LEU 15 1.306 7.812 -8.097 122 HD12 LEU 15 2HD1 LEU 15 1.890 6.304 -8.800 123 HD13 LEU 15 3HD1 LEU 15 2.570 7.843 -9.329 124 HD21 LEU 15 3HD2 LEU 15 4.078 9.123 -7.844 125 HD22 LEU 15 1HD2 LEU 15 4.504 8.498 -6.251 126 HD23 LEU 15 2HD2 LEU 15 2.887 9.135 -6.543 127 H TRP 16 H TRP 16 5.704 7.596 -4.479 128 HA TRP 16 HA TRP 16 4.470 8.730 -2.068 129 HB2 TRP 16 2HB TRP 16 6.679 7.566 -1.954 130 HB3 TRP 16 3HB TRP 16 7.358 8.820 -2.982 131 HD1 TRP 16 HD1 TRP 16 8.156 11.022 -1.803 132 HE1 TRP 16 HE1 TRP 16 8.220 11.814 0.648 133 HE3 TRP 16 HE3 TRP 16 5.237 7.391 0.305 134 HZ2 TRP 16 HZ2 TRP 16 7.166 11.008 3.136 135 HZ3 TRP 16 HZ3 TRP 16 4.812 7.474 2.726 136 HH2 TRP 16 HH2 TRP 16 5.758 9.247 4.112 137 H LEU 17 H LEU 17 3.417 10.640 -2.396 138 HA LEU 17 HA LEU 17 4.876 12.760 -3.860 139 HB2 LEU 17 2HB LEU 17 1.875 12.354 -3.792 140 HB3 LEU 17 3HB LEU 17 2.699 13.705 -4.545 141 HG LEU 17 HG LEU 17 3.033 10.828 -5.413 142 HD11 LEU 17 1HD1 LEU 17 1.321 13.005 -6.620 143 HD12 LEU 17 2HD1 LEU 17 0.740 11.555 -5.799 144 HD13 LEU 17 3HD1 LEU 17 1.617 11.415 -7.323 145 HD21 LEU 17 3HD2 LEU 17 4.950 12.227 -5.944 146 HD22 LEU 17 1HD2 LEU 17 3.895 13.433 -6.681 147 HD23 LEU 17 2HD2 LEU 17 4.056 11.835 -7.411 148 H ASP 18 H ASP 18 4.177 14.988 -3.204 149 HA ASP 18 HA ASP 18 4.289 15.335 -0.388 150 HB2 ASP 18 2HB ASP 18 5.300 16.962 -1.841 151 HB3 ASP 18 3HB ASP 18 3.776 17.255 -2.669 152 H GLN 19 H GLN 19 1.711 16.298 -2.687 153 HA GLN 19 HA GLN 19 -0.189 16.789 -0.618 154 HB2 GLN 19 2HB GLN 19 -1.820 17.042 -2.475 155 HB3 GLN 19 3HB GLN 19 -0.366 18.010 -2.684 156 HG2 GLN 19 2HG GLN 19 0.512 16.349 -4.260 157 HG3 GLN 19 3HG GLN 19 -0.949 15.384 -4.048 158 HE21 GLN 19 1HE2 GLN 19 0.359 18.344 -5.338 159 HE22 GLN 19 2HE2 GLN 19 -0.967 18.703 -6.385 160 H ASN 20 H ASN 20 0.531 13.949 -2.581 161 HA ASN 20 HA ASN 20 -1.658 12.504 -1.231 162 HB2 ASN 20 2HB ASN 20 -1.069 12.445 -4.200 163 HB3 ASN 20 3HB ASN 20 -2.156 11.323 -3.386 164 HD21 ASN 20 1HD2 ASN 20 -3.198 13.372 -1.577 165 HD22 ASN 20 2HD2 ASN 20 -4.239 14.359 -2.535 166 H VAL 21 H VAL 21 -1.494 10.165 -1.360 167 HA VAL 21 HA VAL 21 1.078 9.043 -2.186 168 HB VAL 21 HB VAL 21 1.368 9.442 0.212 169 HG11 VAL 21 1HG1 VAL 21 -1.114 7.765 0.563 170 HG12 VAL 21 2HG1 VAL 21 -0.923 9.479 0.942 171 HG13 VAL 21 3HG1 VAL 21 -0.036 8.268 1.866 172 HG21 VAL 21 3HG2 VAL 21 0.964 6.513 -0.395 173 HG22 VAL 21 1HG2 VAL 21 1.913 7.168 0.938 174 HG23 VAL 21 2HG2 VAL 21 2.419 7.455 -0.728 175 H ALA 22 H ALA 22 0.833 7.103 -3.194 176 HA ALA 22 HA ALA 22 -1.902 5.966 -3.216 177 HB1 ALA 22 3HB ALA 22 0.045 6.091 -5.521 178 HB2 ALA 22 1HB ALA 22 -1.346 7.155 -5.291 179 HB3 ALA 22 2HB ALA 22 -1.589 5.429 -5.565 180 H ILE 23 H ILE 23 -2.146 3.798 -2.955 181 HA ILE 23 HA ILE 23 0.314 2.172 -2.715 182 HB ILE 23 HB ILE 23 -0.952 0.707 -1.166 183 HG12 ILE 23 2HG1 ILE 23 -3.085 2.859 -1.370 184 HG13 ILE 23 3HG1 ILE 23 -3.232 1.201 -1.943 185 HG21 ILE 23 1HG2 ILE 23 0.503 2.457 -0.288 186 HG22 ILE 23 2HG2 ILE 23 -0.895 2.225 0.762 187 HG23 ILE 23 3HG2 ILE 23 -0.832 3.609 -0.331 188 HD11 ILE 23 3HD1 ILE 23 -2.940 2.073 0.925 189 HD12 ILE 23 1HD1 ILE 23 -3.030 0.402 0.367 190 HD13 ILE 23 2HD1 ILE 23 -4.406 1.481 0.142 191 H ALA 24 H ALA 24 0.399 0.139 -3.644 192 HA ALA 24 HA ALA 24 -1.915 -0.922 -5.078 193 HB1 ALA 24 3HB ALA 24 -0.844 0.634 -6.677 194 HB2 ALA 24 1HB ALA 24 -0.786 -1.043 -7.221 195 HB3 ALA 24 2HB ALA 24 0.657 -0.288 -6.539 196 H VAL 25 H VAL 25 -1.967 -3.080 -4.820 197 HA VAL 25 HA VAL 25 0.491 -4.506 -4.072 198 HB VAL 25 HB VAL 25 -2.397 -5.421 -3.996 199 HG11 VAL 25 1HG1 VAL 25 -0.885 -7.307 -4.401 200 HG12 VAL 25 2HG1 VAL 25 -1.567 -7.383 -2.775 201 HG13 VAL 25 3HG1 VAL 25 0.090 -6.832 -3.011 202 HG21 VAL 25 3HG2 VAL 25 -2.140 -5.287 -1.558 203 HG22 VAL 25 1HG2 VAL 25 -1.878 -3.717 -2.316 204 HG23 VAL 25 2HG2 VAL 25 -0.500 -4.668 -1.762 205 H ASP 26 H ASP 26 1.570 -5.716 -5.500 206 HA ASP 26 HA ASP 26 0.242 -6.538 -8.006 207 HB2 ASP 26 2HB ASP 26 3.189 -6.197 -7.375 208 HB3 ASP 26 3HB ASP 26 2.547 -6.739 -8.923 209 H GLN 27 H GLN 27 0.647 -8.667 -8.835 210 HA GLN 27 HA GLN 27 1.005 -10.653 -6.691 211 HB2 GLN 27 2HB GLN 27 -0.254 -12.181 -8.122 212 HB3 GLN 27 3HB GLN 27 -1.148 -10.686 -7.889 213 HG2 GLN 27 2HG GLN 27 -0.347 -9.913 -10.105 214 HG3 GLN 27 3HG GLN 27 0.428 -11.477 -10.334 215 HE21 GLN 27 1HE2 GLN 27 -0.888 -13.309 -10.649 216 HE22 GLN 27 2HE2 GLN 27 -2.534 -13.162 -11.142 217 H ILE 28 H ILE 28 2.711 -12.022 -6.681 218 HA ILE 28 HA ILE 28 4.609 -11.984 -8.892 219 HB ILE 28 HB ILE 28 4.766 -13.564 -6.313 220 HG12 ILE 28 2HG1 ILE 28 5.981 -10.863 -6.996 221 HG13 ILE 28 3HG1 ILE 28 4.658 -11.138 -5.866 222 HG21 ILE 28 1HG2 ILE 28 7.177 -13.688 -6.830 223 HG22 ILE 28 2HG2 ILE 28 6.882 -12.865 -8.362 224 HG23 ILE 28 3HG2 ILE 28 6.192 -14.462 -8.071 225 HD11 ILE 28 3HD1 ILE 28 7.480 -12.142 -5.568 226 HD12 ILE 28 1HD1 ILE 28 6.158 -12.452 -4.444 227 HD13 ILE 28 2HD1 ILE 28 6.741 -10.806 -4.686 228 H VAL 29 H VAL 29 3.669 -13.098 -10.583 229 HA VAL 29 HA VAL 29 2.470 -15.707 -10.228 230 HB VAL 29 HB VAL 29 3.224 -14.392 -12.849 231 HG11 VAL 29 1HG1 VAL 29 1.082 -16.411 -12.164 232 HG12 VAL 29 2HG1 VAL 29 2.590 -16.742 -13.016 233 HG13 VAL 29 3HG1 VAL 29 1.366 -15.710 -13.758 234 HG21 VAL 29 3HG2 VAL 29 0.696 -14.004 -11.242 235 HG22 VAL 29 1HG2 VAL 29 0.958 -13.428 -12.887 236 HG23 VAL 29 2HG2 VAL 29 1.932 -12.788 -11.564 237 H GLY 30 H GLY 30 3.248 -17.606 -11.528 238 HA2 GLY 30 2HA GLY 30 5.801 -18.424 -10.854 239 HA3 GLY 30 3HA GLY 30 4.840 -19.141 -12.133 240 H LYS 31 H LYS 31 4.820 -16.715 -13.790 241 HA LYS 31 HA LYS 31 7.537 -17.018 -14.879 242 HB2 LYS 31 2HB LYS 31 4.993 -16.073 -16.213 243 HB3 LYS 31 3HB LYS 31 6.559 -16.200 -17.005 244 HG2 LYS 31 2HG LYS 31 6.575 -18.614 -16.603 245 HG3 LYS 31 3HG LYS 31 5.004 -18.490 -15.805 246 HD2 LYS 31 2HD LYS 31 5.568 -17.756 -18.684 247 HD3 LYS 31 3HD LYS 31 4.819 -19.260 -18.144 248 HE2 LYS 31 2HE LYS 31 2.942 -18.023 -17.216 249 HE3 LYS 31 3HE LYS 31 3.705 -16.494 -17.656 250 HZ1 LYS 31 3HZ LYS 31 2.867 -18.585 -19.589 251 HZ2 LYS 31 1HZ LYS 31 3.504 -17.061 -19.969 252 HZ3 LYS 31 2HZ LYS 31 1.983 -17.190 -19.232 253 H GLY 32 H GLY 32 5.866 -14.753 -13.059 254 HA2 GLY 32 2HA GLY 32 7.748 -12.847 -12.894 255 HA3 GLY 32 3HA GLY 32 6.920 -12.393 -14.374 256 H THR 33 H THR 33 6.810 -10.479 -12.744 257 HA THR 33 HA THR 33 4.606 -10.640 -10.848 258 HB THR 33 HB THR 33 5.114 -8.257 -10.364 259 HG1 THR 33 HG1 THR 33 6.028 -8.008 -12.653 260 HG21 THR 33 3HG2 THR 33 7.323 -8.613 -9.360 261 HG22 THR 33 1HG2 THR 33 7.547 -10.058 -10.347 262 HG23 THR 33 2HG2 THR 33 6.283 -10.017 -9.117 263 H SER 34 H SER 34 2.617 -9.678 -11.060 264 HA SER 34 HA SER 34 2.040 -8.243 -13.577 265 HB2 SER 34 2HB SER 34 1.166 -10.476 -13.892 266 HB3 SER 34 3HB SER 34 0.371 -10.438 -12.319 267 HG SER 34 HG SER 34 -0.352 -9.196 -14.722 268 HA PRO 35 HA PRO 35 0.262 -5.165 -10.870 269 HB2 PRO 35 2HB PRO 35 -1.397 -4.421 -13.217 270 HB3 PRO 35 3HB PRO 35 -0.260 -3.439 -12.287 271 HG2 PRO 35 2HG PRO 35 0.345 -4.292 -14.753 272 HG3 PRO 35 3HG PRO 35 1.580 -4.202 -13.482 273 HD2 PRO 35 2HD PRO 35 0.098 -6.598 -14.523 274 HD3 PRO 35 3HD PRO 35 1.816 -6.433 -14.095 275 H LEU 36 H LEU 36 -0.947 -6.464 -9.473 276 HA LEU 36 HA LEU 36 -3.420 -7.691 -10.203 277 HB2 LEU 36 2HB LEU 36 -1.961 -8.507 -8.383 278 HB3 LEU 36 3HB LEU 36 -2.297 -7.051 -7.469 279 HG LEU 36 HG LEU 36 -4.708 -7.712 -7.387 280 HD11 LEU 36 1HD1 LEU 36 -4.779 -9.130 -9.361 281 HD12 LEU 36 2HD1 LEU 36 -5.312 -10.019 -7.936 282 HD13 LEU 36 3HD1 LEU 36 -3.696 -10.289 -8.590 283 HD21 LEU 36 3HD2 LEU 36 -3.195 -8.175 -5.522 284 HD22 LEU 36 1HD2 LEU 36 -2.764 -9.725 -6.247 285 HD23 LEU 36 2HD2 LEU 36 -4.413 -9.438 -5.687 286 H THR 37 H THR 37 -2.556 -4.739 -8.444 287 HA THR 37 HA THR 37 -5.322 -3.749 -8.803 288 HB THR 37 HB THR 37 -5.110 -2.519 -6.654 289 HG1 THR 37 HG1 THR 37 -2.684 -4.013 -6.452 290 HG21 THR 37 3HG2 THR 37 -5.376 -4.459 -5.153 291 HG22 THR 37 1HG2 THR 37 -4.726 -5.513 -6.409 292 HG23 THR 37 2HG2 THR 37 -6.259 -4.679 -6.663 293 H SER 38 H SER 38 -5.204 -1.193 -8.182 294 HA SER 38 HA SER 38 -3.014 -0.072 -9.828 295 HB2 SER 38 2HB SER 38 -5.186 0.129 -10.950 296 HB3 SER 38 3HB SER 38 -5.859 0.942 -9.539 297 HG SER 38 HG SER 38 -5.252 2.652 -10.626 298 H TYR 39 H TYR 39 -2.524 2.251 -9.362 299 HA TYR 39 HA TYR 39 -1.982 2.570 -6.566 300 HB2 TYR 39 2HB TYR 39 -1.466 4.368 -8.945 301 HB3 TYR 39 3HB TYR 39 -0.966 4.766 -7.305 302 HD1 TYR 39 HD1 TYR 39 -0.334 2.593 -10.200 303 HD2 TYR 39 HD2 TYR 39 0.858 3.564 -6.225 304 HE1 TYR 39 HE1 TYR 39 1.741 1.313 -10.514 305 HE2 TYR 39 HE2 TYR 39 2.938 2.290 -6.536 306 HH TYR 39 HH TYR 39 4.021 1.247 -9.577 307 H PHE 40 H PHE 40 -3.778 2.921 -5.358 308 HA PHE 40 HA PHE 40 -5.796 4.852 -6.145 309 HB2 PHE 40 2HB PHE 40 -5.520 3.398 -3.504 310 HB3 PHE 40 3HB PHE 40 -6.966 4.169 -4.147 311 HD1 PHE 40 HD1 PHE 40 -7.696 3.241 -6.546 312 HD2 PHE 40 HD2 PHE 40 -5.363 1.097 -3.691 313 HE1 PHE 40 HE1 PHE 40 -8.377 1.119 -7.584 314 HE2 PHE 40 HE2 PHE 40 -6.041 -1.028 -4.736 315 HZ PHE 40 HZ PHE 40 -7.549 -1.018 -6.683 316 H PHE 41 H PHE 41 -5.518 6.987 -5.841 317 HA PHE 41 HA PHE 41 -3.416 7.973 -4.130 318 HB2 PHE 41 2HB PHE 41 -5.358 9.372 -5.972 319 HB3 PHE 41 3HB PHE 41 -4.143 10.224 -5.026 320 HD1 PHE 41 HD1 PHE 41 -4.713 7.970 -7.863 321 HD2 PHE 41 HD2 PHE 41 -1.793 10.071 -5.578 322 HE1 PHE 41 HE1 PHE 41 -3.045 7.580 -9.631 323 HE2 PHE 41 HE2 PHE 41 -0.127 9.686 -7.344 324 HZ PHE 41 HZ PHE 41 -0.751 8.437 -9.371 325 H TRP 42 H TRP 42 -3.779 8.008 -2.016 326 HA TRP 42 HA TRP 42 -6.243 9.159 -0.922 327 HB2 TRP 42 2HB TRP 42 -5.772 7.372 0.428 328 HB3 TRP 42 3HB TRP 42 -4.058 7.408 0.064 329 HD1 TRP 42 HD1 TRP 42 -2.557 9.124 1.546 330 HE1 TRP 42 HE1 TRP 42 -2.824 9.901 3.962 331 HE3 TRP 42 HE3 TRP 42 -7.482 7.945 2.209 332 HZ2 TRP 42 HZ2 TRP 42 -4.849 10.014 5.910 333 HZ3 TRP 42 HZ3 TRP 42 -8.514 8.423 4.391 334 HH2 TRP 42 HH2 TRP 42 -7.224 9.436 6.206 335 HA PRO 43 HA PRO 43 -6.829 10.143 0.938 336 HB2 PRO 43 2HB PRO 43 -7.733 12.387 2.032 337 HB3 PRO 43 3HB PRO 43 -6.297 11.587 2.685 338 HG2 PRO 43 2HG PRO 43 -6.484 14.005 0.935 339 HG3 PRO 43 3HG PRO 43 -5.392 13.687 2.293 340 HD2 PRO 43 2HD PRO 43 -4.785 13.348 -0.432 341 HD3 PRO 43 3HD PRO 43 -3.854 12.698 0.932 342 H ARG 44 H ARG 44 -6.501 11.520 -1.958 343 HA ARG 44 HA ARG 44 -8.932 12.861 -2.448 344 HB2 ARG 44 2HB ARG 44 -7.262 11.175 -4.330 345 HB3 ARG 44 3HB ARG 44 -8.608 12.190 -4.836 346 HG2 ARG 44 2HG ARG 44 -7.360 14.144 -3.823 347 HG3 ARG 44 3HG ARG 44 -5.973 13.062 -3.661 348 HD2 ARG 44 2HD ARG 44 -6.047 12.650 -6.095 349 HD3 ARG 44 3HD ARG 44 -7.391 13.785 -6.234 350 HE ARG 44 HE ARG 44 -4.763 14.635 -5.211 351 HH11 ARG 44 1HH1 ARG 44 -7.384 15.015 -7.422 352 HH12 ARG 44 2HH1 ARG 44 -6.731 16.463 -8.105 353 HH21 ARG 44 1HH2 ARG 44 -3.967 16.507 -6.069 354 HH22 ARG 44 2HH2 ARG 44 -4.845 17.316 -7.322 355 H ALA 45 H ALA 45 -8.106 9.434 -2.520 356 HA ALA 45 HA ALA 45 -10.952 8.781 -2.189 357 HB1 ALA 45 3HB ALA 45 -10.747 6.868 -3.720 358 HB2 ALA 45 1HB ALA 45 -9.100 7.360 -4.115 359 HB3 ALA 45 2HB ALA 45 -10.460 8.394 -4.555 360 H ASP 46 H ASP 46 -11.333 6.867 -0.969 361 HA ASP 46 HA ASP 46 -9.468 6.252 1.036 362 HB2 ASP 46 2HB ASP 46 -11.851 4.646 0.091 363 HB3 ASP 46 3HB ASP 46 -10.979 4.363 1.593 364 H ALA 47 H ALA 47 -7.492 5.741 0.011 365 HA ALA 47 HA ALA 47 -7.034 3.862 -1.971 366 HB1 ALA 47 3HB ALA 47 -4.715 3.836 -1.212 367 HB2 ALA 47 1HB ALA 47 -5.194 4.592 0.308 368 HB3 ALA 47 2HB ALA 47 -5.363 5.475 -1.209 369 H TRP 48 H TRP 48 -6.933 3.360 1.552 370 HA TRP 48 HA TRP 48 -6.210 0.636 1.458 371 HB2 TRP 48 2HB TRP 48 -6.006 2.152 3.450 372 HB3 TRP 48 3HB TRP 48 -7.749 2.036 3.660 373 HD1 TRP 48 HD1 TRP 48 -4.631 -0.268 3.686 374 HE1 TRP 48 HE1 TRP 48 -5.095 -2.210 5.305 375 HE3 TRP 48 HE3 TRP 48 -9.494 0.800 4.875 376 HZ2 TRP 48 HZ2 TRP 48 -7.236 -3.179 6.862 377 HZ3 TRP 48 HZ3 TRP 48 -10.679 -0.692 6.432 378 HH2 TRP 48 HH2 TRP 48 -9.572 -2.640 7.405 379 H GLN 49 H GLN 49 -9.385 2.216 1.605 380 HA GLN 49 HA GLN 49 -10.923 -0.143 1.896 381 HB2 GLN 49 2HB GLN 49 -11.820 2.084 2.397 382 HB3 GLN 49 3HB GLN 49 -11.709 2.521 0.699 383 HG2 GLN 49 2HG GLN 49 -13.987 1.985 1.245 384 HG3 GLN 49 3HG GLN 49 -13.343 0.762 0.154 385 HE21 GLN 49 1HE2 GLN 49 -12.656 0.946 3.593 386 HE22 GLN 49 2HE2 GLN 49 -13.490 -0.505 4.020 387 H GLN 50 H GLN 50 -10.091 1.764 -1.010 388 HA GLN 50 HA GLN 50 -11.437 0.080 -2.844 389 HB2 GLN 50 2HB GLN 50 -9.090 1.935 -3.329 390 HB3 GLN 50 3HB GLN 50 -10.115 1.237 -4.578 391 HG2 GLN 50 2HG GLN 50 -12.058 2.420 -3.606 392 HG3 GLN 50 3HG GLN 50 -10.984 3.168 -2.428 393 HE21 GLN 50 1HE2 GLN 50 -8.832 3.486 -4.418 394 HE22 GLN 50 2HE2 GLN 50 -9.322 4.800 -5.425 395 H LEU 51 H LEU 51 -8.180 -0.004 -1.493 396 HA LEU 51 HA LEU 51 -7.139 -2.021 -3.193 397 HB2 LEU 51 2HB LEU 51 -5.710 -0.586 -1.815 398 HB3 LEU 51 3HB LEU 51 -6.375 -1.303 -0.358 399 HG LEU 51 HG LEU 51 -5.408 -3.491 -1.010 400 HD11 LEU 51 1HD1 LEU 51 -3.764 -3.591 -2.826 401 HD12 LEU 51 2HD1 LEU 51 -4.167 -1.936 -3.279 402 HD13 LEU 51 3HD1 LEU 51 -5.378 -3.209 -3.419 403 HD21 LEU 51 3HD2 LEU 51 -3.072 -2.919 -0.552 404 HD22 LEU 51 1HD2 LEU 51 -4.175 -2.026 0.493 405 HD23 LEU 51 2HD2 LEU 51 -3.419 -1.221 -0.883 406 H LYS 52 H LYS 52 -8.484 -2.255 0.129 407 HA LYS 52 HA LYS 52 -8.313 -5.055 0.315 408 HB2 LYS 52 2HB LYS 52 -9.743 -4.906 2.239 409 HB3 LYS 52 3HB LYS 52 -8.683 -3.503 2.246 410 HG2 LYS 52 2HG LYS 52 -10.558 -2.177 1.250 411 HG3 LYS 52 3HG LYS 52 -11.599 -3.584 1.471 412 HD2 LYS 52 2HD LYS 52 -10.119 -2.124 3.671 413 HD3 LYS 52 3HD LYS 52 -11.832 -1.944 3.295 414 HE2 LYS 52 2HE LYS 52 -10.527 -4.538 4.128 415 HE3 LYS 52 3HE LYS 52 -11.377 -3.451 5.224 416 HZ1 LYS 52 3HZ LYS 52 -13.374 -3.761 3.819 417 HZ2 LYS 52 1HZ LYS 52 -12.848 -5.184 4.563 418 HZ3 LYS 52 2HZ LYS 52 -12.537 -4.923 2.924 419 H ASP 53 H ASP 53 -10.852 -2.975 -0.974 420 HA ASP 53 HA ASP 53 -12.914 -4.832 -1.246 421 HB2 ASP 53 2HB ASP 53 -12.868 -2.266 -1.665 422 HB3 ASP 53 3HB ASP 53 -12.394 -2.690 -3.307 423 H GLU 54 H GLU 54 -10.262 -4.064 -3.485 424 HA GLU 54 HA GLU 54 -10.875 -5.931 -5.509 425 HB2 GLU 54 2HB GLU 54 -8.306 -4.628 -4.611 426 HB3 GLU 54 3HB GLU 54 -8.325 -5.792 -5.927 427 HG2 GLU 54 2HG GLU 54 -10.081 -3.354 -5.950 428 HG3 GLU 54 3HG GLU 54 -8.412 -3.315 -6.523 429 H LEU 55 H LEU 55 -8.647 -6.203 -2.738 430 HA LEU 55 HA LEU 55 -7.717 -8.794 -3.275 431 HB2 LEU 55 2HB LEU 55 -7.961 -7.385 -0.611 432 HB3 LEU 55 3HB LEU 55 -6.976 -8.804 -0.918 433 HG LEU 55 HG LEU 55 -6.565 -6.088 -2.194 434 HD11 LEU 55 1HD1 LEU 55 -6.020 -6.073 0.187 435 HD12 LEU 55 2HD1 LEU 55 -4.564 -5.955 -0.797 436 HD13 LEU 55 3HD1 LEU 55 -4.986 -7.486 -0.031 437 HD21 LEU 55 3HD2 LEU 55 -5.858 -7.907 -3.662 438 HD22 LEU 55 1HD2 LEU 55 -4.900 -8.607 -2.355 439 HD23 LEU 55 2HD2 LEU 55 -4.463 -7.035 -3.028 440 H GLU 56 H GLU 56 -10.523 -7.737 -1.400 441 HA GLU 56 HA GLU 56 -11.136 -10.356 -0.391 442 HB2 GLU 56 2HB GLU 56 -12.812 -7.838 -0.471 443 HB3 GLU 56 3HB GLU 56 -13.202 -9.289 0.446 444 HG2 GLU 56 2HG GLU 56 -11.241 -9.001 1.828 445 HG3 GLU 56 3HG GLU 56 -10.711 -7.637 0.848 446 H ALA 57 H ALA 57 -12.091 -8.494 -3.209 447 HA ALA 57 HA ALA 57 -14.218 -10.211 -4.041 448 HB1 ALA 57 3HB ALA 57 -12.482 -8.367 -5.690 449 HB2 ALA 57 1HB ALA 57 -13.998 -7.933 -4.901 450 HB3 ALA 57 2HB ALA 57 -13.995 -9.107 -6.217 451 H LYS 58 H LYS 58 -10.749 -10.097 -4.673 452 HA LYS 58 HA LYS 58 -10.787 -12.363 -6.461 453 HB2 LYS 58 2HB LYS 58 -8.432 -11.039 -5.090 454 HB3 LYS 58 3HB LYS 58 -8.367 -12.102 -6.492 455 HG2 LYS 58 2HG LYS 58 -9.475 -10.472 -7.862 456 HG3 LYS 58 3HG LYS 58 -9.789 -9.443 -6.465 457 HD2 LYS 58 2HD LYS 58 -7.345 -9.154 -6.172 458 HD3 LYS 58 3HD LYS 58 -7.082 -10.110 -7.632 459 HE2 LYS 58 2HE LYS 58 -8.532 -7.463 -7.440 460 HE3 LYS 58 3HE LYS 58 -6.947 -7.745 -8.158 461 HZ1 LYS 58 3HZ LYS 58 -8.505 -7.629 -9.911 462 HZ2 LYS 58 1HZ LYS 58 -9.572 -8.699 -9.153 463 HZ3 LYS 58 2HZ LYS 58 -8.096 -9.260 -9.758 464 H HIS 59 H HIS 59 -11.599 -14.142 -5.383 465 HA HIS 59 HA HIS 59 -11.086 -14.574 -2.607 466 HB2 HIS 59 2HB HIS 59 -12.555 -16.196 -4.681 467 HB3 HIS 59 3HB HIS 59 -12.424 -16.694 -2.996 468 HD1 HIS 59 HD1 HIS 59 -13.994 -14.065 -5.174 469 HD2 HIS 59 HD2 HIS 59 -14.049 -15.306 -1.211 470 HE1 HIS 59 HE1 HIS 59 -15.873 -12.801 -4.104 471 HE2 HIS 59 HE2 HIS 59 -15.804 -13.465 -1.684 472 H TRP 60 H TRP 60 -9.139 -15.311 -5.229 473 HA TRP 60 HA TRP 60 -8.002 -17.711 -4.100 474 HB2 TRP 60 2HB TRP 60 -6.254 -17.484 -5.810 475 HB3 TRP 60 3HB TRP 60 -7.863 -17.379 -6.503 476 HD1 TRP 60 HD1 TRP 60 -8.678 -14.774 -7.155 477 HE1 TRP 60 HE1 TRP 60 -7.257 -12.867 -8.145 478 HE3 TRP 60 HE3 TRP 60 -4.039 -16.474 -5.857 479 HZ2 TRP 60 HZ2 TRP 60 -4.522 -12.180 -8.350 480 HZ3 TRP 60 HZ3 TRP 60 -2.072 -15.140 -6.492 481 HH2 TRP 60 HH2 TRP 60 -2.309 -13.037 -7.713 482 H ILE 61 H ILE 61 -7.815 -14.443 -3.313 483 HA ILE 61 HA ILE 61 -5.235 -14.574 -1.983 484 HB ILE 61 HB ILE 61 -7.468 -12.524 -1.931 485 HG12 ILE 61 2HG1 ILE 61 -5.784 -11.029 -2.940 486 HG13 ILE 61 3HG1 ILE 61 -4.599 -12.331 -2.905 487 HG21 ILE 61 1HG2 ILE 61 -4.897 -12.468 -0.347 488 HG22 ILE 61 2HG2 ILE 61 -6.534 -12.589 0.299 489 HG23 ILE 61 3HG2 ILE 61 -6.017 -11.115 -0.517 490 HD11 ILE 61 3HD1 ILE 61 -7.151 -12.333 -4.493 491 HD12 ILE 61 1HD1 ILE 61 -5.913 -13.588 -4.502 492 HD13 ILE 61 2HD1 ILE 61 -5.543 -11.978 -5.123 493 H ALA 62 H ALA 62 -4.903 -15.294 0.078 494 HA ALA 62 HA ALA 62 -7.219 -16.252 1.590 495 HB1 ALA 62 3HB ALA 62 -5.351 -17.792 1.233 496 HB2 ALA 62 1HB ALA 62 -5.598 -17.468 2.949 497 HB3 ALA 62 2HB ALA 62 -4.273 -16.687 2.085 498 H GLU 63 H GLU 63 -7.059 -16.040 4.026 499 HA GLU 63 HA GLU 63 -7.381 -13.439 4.867 500 HB2 GLU 63 2HB GLU 63 -8.193 -15.344 6.143 501 HB3 GLU 63 3HB GLU 63 -6.546 -15.853 6.493 502 HG2 GLU 63 2HG GLU 63 -6.210 -13.768 7.779 503 HG3 GLU 63 3HG GLU 63 -7.896 -13.342 7.484 504 H ALA 64 H ALA 64 -4.557 -15.451 5.741 505 HA ALA 64 HA ALA 64 -2.943 -13.591 6.910 506 HB1 ALA 64 3HB ALA 64 -1.046 -14.989 6.299 507 HB2 ALA 64 1HB ALA 64 -2.008 -15.780 5.050 508 HB3 ALA 64 2HB ALA 64 -2.426 -15.988 6.751 509 H ASP 65 H ASP 65 -3.132 -14.238 3.408 510 HA ASP 65 HA ASP 65 -1.074 -12.486 2.641 511 HB2 ASP 65 2HB ASP 65 -3.468 -13.402 1.037 512 HB3 ASP 65 3HB ASP 65 -1.999 -12.686 0.374 513 H ARG 66 H ARG 66 -4.630 -11.932 2.630 514 HA ARG 66 HA ARG 66 -4.380 -9.265 1.670 515 HB2 ARG 66 2HB ARG 66 -6.739 -8.969 2.199 516 HB3 ARG 66 3HB ARG 66 -6.476 -10.505 1.391 517 HG2 ARG 66 2HG ARG 66 -6.749 -11.709 3.451 518 HG3 ARG 66 3HG ARG 66 -6.790 -10.206 4.376 519 HD2 ARG 66 2HD ARG 66 -8.874 -9.566 3.263 520 HD3 ARG 66 3HD ARG 66 -8.823 -11.038 2.294 521 HE ARG 66 HE ARG 66 -9.009 -12.243 4.487 522 HH11 ARG 66 1HH1 ARG 66 -10.289 -9.064 4.083 523 HH12 ARG 66 2HH1 ARG 66 -11.468 -9.266 5.328 524 HH21 ARG 66 1HH2 ARG 66 -10.526 -12.476 6.085 525 HH22 ARG 66 2HH2 ARG 66 -11.576 -11.155 6.473 526 H ILE 67 H ILE 67 -4.780 -10.566 4.963 527 HA ILE 67 HA ILE 67 -5.044 -8.078 6.270 528 HB ILE 67 HB ILE 67 -3.937 -10.680 7.357 529 HG12 ILE 67 2HG1 ILE 67 -6.230 -10.899 6.504 530 HG13 ILE 67 3HG1 ILE 67 -6.212 -11.012 8.261 531 HG21 ILE 67 1HG2 ILE 67 -4.941 -8.254 8.854 532 HG22 ILE 67 2HG2 ILE 67 -3.269 -8.806 8.764 533 HG23 ILE 67 3HG2 ILE 67 -4.478 -9.793 9.580 534 HD11 ILE 67 3HD1 ILE 67 -8.090 -9.694 7.472 535 HD12 ILE 67 1HD1 ILE 67 -6.988 -8.587 6.653 536 HD13 ILE 67 2HD1 ILE 67 -6.981 -8.699 8.415 537 H ASN 68 H ASN 68 -2.159 -10.067 5.617 538 HA ASN 68 HA ASN 68 -0.272 -8.529 6.988 539 HB2 ASN 68 2HB ASN 68 0.199 -10.774 6.139 540 HB3 ASN 68 3HB ASN 68 0.094 -10.191 4.480 541 HD21 ASN 68 1HD2 ASN 68 1.812 -9.087 3.607 542 HD22 ASN 68 2HD2 ASN 68 3.341 -8.951 4.398 543 H VAL 69 H VAL 69 -1.169 -8.331 3.512 544 HA VAL 69 HA VAL 69 0.568 -6.131 2.995 545 HB VAL 69 HB VAL 69 -0.605 -5.890 0.845 546 HG11 VAL 69 1HG1 VAL 69 1.181 -7.547 1.075 547 HG12 VAL 69 2HG1 VAL 69 -0.049 -8.090 -0.068 548 HG13 VAL 69 3HG1 VAL 69 -0.001 -8.763 1.563 549 HG21 VAL 69 3HG2 VAL 69 -2.431 -7.448 0.252 550 HG22 VAL 69 1HG2 VAL 69 -2.890 -6.343 1.549 551 HG23 VAL 69 2HG2 VAL 69 -2.470 -8.016 1.921 552 H LEU 70 H LEU 70 -2.830 -6.316 3.971 553 HA LEU 70 HA LEU 70 -3.398 -3.556 3.552 554 HB2 LEU 70 2HB LEU 70 -4.732 -5.651 5.259 555 HB3 LEU 70 3HB LEU 70 -5.328 -4.005 5.142 556 HG LEU 70 HG LEU 70 -5.078 -5.938 2.828 557 HD11 LEU 70 1HD1 LEU 70 -6.842 -6.605 4.365 558 HD12 LEU 70 2HD1 LEU 70 -7.526 -5.978 2.867 559 HD13 LEU 70 3HD1 LEU 70 -7.522 -4.977 4.318 560 HD21 LEU 70 3HD2 LEU 70 -6.251 -3.157 2.961 561 HD22 LEU 70 1HD2 LEU 70 -6.341 -4.241 1.573 562 HD23 LEU 70 2HD2 LEU 70 -4.778 -3.632 2.115 563 H ASN 71 H ASN 71 -2.099 -5.349 6.310 564 HA ASN 71 HA ASN 71 -2.266 -3.237 8.192 565 HB2 ASN 71 2HB ASN 71 -0.533 -5.700 8.040 566 HB3 ASN 71 3HB ASN 71 -0.370 -4.535 9.352 567 HD21 ASN 71 1HD2 ASN 71 -1.226 -7.321 9.408 568 HD22 ASN 71 2HD2 ASN 71 -2.788 -7.310 10.143 569 H GLN 72 H GLN 72 0.525 -4.329 6.216 570 HA GLN 72 HA GLN 72 2.224 -2.218 7.001 571 HB2 GLN 72 2HB GLN 72 3.586 -2.825 5.023 572 HB3 GLN 72 3HB GLN 72 3.144 -4.213 6.005 573 HG2 GLN 72 2HG GLN 72 1.326 -4.717 4.394 574 HG3 GLN 72 3HG GLN 72 1.897 -3.388 3.390 575 HE21 GLN 72 1HE2 GLN 72 4.059 -5.502 5.161 576 HE22 GLN 72 2HE2 GLN 72 4.715 -6.287 3.775 577 H ALA 73 H ALA 73 -0.096 -2.477 4.323 578 HA ALA 73 HA ALA 73 0.434 -0.002 3.093 579 HB1 ALA 73 3HB ALA 73 -2.219 -1.432 3.324 580 HB2 ALA 73 1HB ALA 73 -0.998 -1.723 2.087 581 HB3 ALA 73 2HB ALA 73 -1.820 -0.164 2.164 582 H THR 74 H THR 74 -1.773 -0.841 5.757 583 HA THR 74 HA THR 74 -2.806 1.715 6.279 584 HB THR 74 HB THR 74 -2.320 -0.616 8.149 585 HG1 THR 74 HG1 THR 74 -3.975 -1.157 6.866 586 HG21 THR 74 3HG2 THR 74 -3.849 0.512 9.736 587 HG22 THR 74 1HG2 THR 74 -3.816 1.952 8.717 588 HG23 THR 74 2HG2 THR 74 -2.343 1.401 9.513 589 H GLU 75 H GLU 75 0.130 0.135 7.559 590 HA GLU 75 HA GLU 75 1.001 2.167 9.261 591 HB2 GLU 75 2HB GLU 75 2.626 0.245 7.581 592 HB3 GLU 75 3HB GLU 75 3.315 1.283 8.820 593 HG2 GLU 75 2HG GLU 75 1.816 0.170 10.481 594 HG3 GLU 75 3HG GLU 75 1.344 -0.960 9.212 595 H VAL 76 H VAL 76 1.761 1.705 5.803 596 HA VAL 76 HA VAL 76 3.365 3.958 5.433 597 HB VAL 76 HB VAL 76 1.497 2.649 3.440 598 HG11 VAL 76 1HG1 VAL 76 3.824 4.516 2.933 599 HG12 VAL 76 2HG1 VAL 76 2.119 4.915 2.725 600 HG13 VAL 76 3HG1 VAL 76 2.869 3.692 1.701 601 HG21 VAL 76 3HG2 VAL 76 3.166 1.110 4.359 602 HG22 VAL 76 1HG2 VAL 76 4.454 2.241 3.937 603 HG23 VAL 76 2HG2 VAL 76 3.506 1.469 2.666 604 H ILE 77 H ILE 77 -0.169 3.659 4.969 605 HA ILE 77 HA ILE 77 -0.673 6.304 4.179 606 HB ILE 77 HB ILE 77 -2.475 4.377 5.664 607 HG12 ILE 77 2HG1 ILE 77 -2.265 5.056 2.713 608 HG13 ILE 77 3HG1 ILE 77 -1.691 3.572 3.463 609 HG21 ILE 77 1HG2 ILE 77 -3.280 6.665 5.950 610 HG22 ILE 77 2HG2 ILE 77 -4.348 5.761 4.881 611 HG23 ILE 77 3HG2 ILE 77 -3.207 6.926 4.206 612 HD11 ILE 77 3HD1 ILE 77 -3.805 3.245 2.313 613 HD12 ILE 77 1HD1 ILE 77 -4.561 4.475 3.324 614 HD13 ILE 77 2HD1 ILE 77 -3.975 2.974 4.046 615 H ASN 78 H ASN 78 -0.853 4.871 7.461 616 HA ASN 78 HA ASN 78 -1.505 7.292 8.778 617 HB2 ASN 78 2HB ASN 78 -0.184 4.793 9.859 618 HB3 ASN 78 3HB ASN 78 -0.808 6.106 10.855 619 HD21 ASN 78 1HD2 ASN 78 -1.625 3.374 10.917 620 HD22 ASN 78 2HD2 ASN 78 -3.302 3.339 10.507 621 H PHE 79 H PHE 79 1.590 5.804 7.982 622 HA PHE 79 HA PHE 79 3.248 7.520 9.499 623 HB2 PHE 79 2HB PHE 79 3.998 5.365 8.535 624 HB3 PHE 79 3HB PHE 79 3.880 6.056 6.921 625 HD1 PHE 79 HD2 PHE 79 5.586 6.571 10.196 626 HD2 PHE 79 HD1 PHE 79 5.759 7.057 5.965 627 HE1 PHE 79 HE2 PHE 79 7.911 7.347 10.383 628 HE2 PHE 79 HE1 PHE 79 8.086 7.836 6.151 629 HZ PHE 79 HZ PHE 79 9.165 7.984 8.357 630 H TRP 80 H TRP 80 2.437 7.594 6.023 631 HA TRP 80 HA TRP 80 3.620 10.012 5.337 632 HB2 TRP 80 2HB TRP 80 2.721 8.479 3.679 633 HB3 TRP 80 3HB TRP 80 1.086 8.734 4.278 634 HD1 TRP 80 HD1 TRP 80 3.827 10.473 2.224 635 HE1 TRP 80 HE1 TRP 80 2.740 12.346 0.837 636 HE3 TRP 80 HE3 TRP 80 -0.893 10.331 4.217 637 HZ2 TRP 80 HZ2 TRP 80 0.226 13.596 0.622 638 HZ3 TRP 80 HZ3 TRP 80 -2.573 11.905 3.358 639 HH2 TRP 80 HH2 TRP 80 -2.025 13.503 1.598 640 H GLN 81 H GLN 81 0.299 9.436 6.489 641 HA GLN 81 HA GLN 81 -0.619 12.068 6.578 642 HB2 GLN 81 2HB GLN 81 -2.039 10.068 6.906 643 HB3 GLN 81 3HB GLN 81 -1.282 9.792 8.466 644 HG2 GLN 81 2HG GLN 81 -2.173 11.963 9.248 645 HG3 GLN 81 3HG GLN 81 -2.996 12.149 7.700 646 HE21 GLN 81 1HE2 GLN 81 -2.662 9.098 9.379 647 HE22 GLN 81 2HE2 GLN 81 -4.330 8.909 9.770 648 H ASP 82 H ASP 82 1.110 10.198 9.059 649 HA ASP 82 HA ASP 82 1.195 12.098 11.108 650 HB2 ASP 82 2HB ASP 82 1.851 9.781 11.465 651 HB3 ASP 82 3HB ASP 82 3.208 9.960 10.357 652 H LEU 83 H LEU 83 3.379 11.601 8.364 653 HA LEU 83 HA LEU 83 5.304 13.522 9.071 654 HB2 LEU 83 2HB LEU 83 4.490 12.700 6.280 655 HB3 LEU 83 3HB LEU 83 6.006 13.451 6.744 656 HG LEU 83 HG LEU 83 5.072 10.670 7.469 657 HD11 LEU 83 1HD1 LEU 83 7.329 11.650 5.731 658 HD12 LEU 83 2HD1 LEU 83 5.855 10.844 5.196 659 HD13 LEU 83 3HD1 LEU 83 7.033 9.967 6.172 660 HD21 LEU 83 3HD2 LEU 83 7.257 10.398 8.562 661 HD22 LEU 83 1HD2 LEU 83 6.261 11.614 9.363 662 HD23 LEU 83 2HD2 LEU 83 7.587 12.113 8.312 663 H LYS 84 H LYS 84 2.388 13.823 7.029 664 HA LYS 84 HA LYS 84 2.854 16.514 6.304 665 HB2 LYS 84 2HB LYS 84 1.338 15.092 5.019 666 HB3 LYS 84 3HB LYS 84 0.231 15.009 6.385 667 HG2 LYS 84 2HG LYS 84 -0.227 17.373 6.227 668 HG3 LYS 84 3HG LYS 84 0.986 17.561 4.963 669 HD2 LYS 84 2HD LYS 84 -1.514 15.879 4.727 670 HD3 LYS 84 3HD LYS 84 -1.338 17.517 4.097 671 HE2 LYS 84 2HE LYS 84 0.564 16.712 2.703 672 HE3 LYS 84 3HE LYS 84 0.224 15.073 3.258 673 HZ1 LYS 84 3HZ LYS 84 -0.805 15.437 1.139 674 HZ2 LYS 84 1HZ LYS 84 -1.600 16.822 1.697 675 HZ3 LYS 84 2HZ LYS 84 -2.018 15.302 2.306 676 H ASN 85 H ASN 85 0.891 15.135 8.970 677 HA ASN 85 HA ASN 85 -0.046 17.705 9.797 678 HB2 ASN 85 2HB ASN 85 -0.863 16.574 11.843 679 HB3 ASN 85 3HB ASN 85 -1.378 15.785 10.363 680 HD21 ASN 85 1HD2 ASN 85 1.692 15.496 12.153 681 HD22 ASN 85 2HD2 ASN 85 1.536 13.806 12.429 682 H GLN 86 H GLN 86 2.920 16.053 10.320 683 HA GLN 86 HA GLN 86 3.695 18.027 12.376 684 HB2 GLN 86 2HB GLN 86 5.053 15.488 11.450 685 HB3 GLN 86 3HB GLN 86 5.767 16.618 12.594 686 HG2 GLN 86 2HG GLN 86 3.848 16.254 14.106 687 HG3 GLN 86 3HG GLN 86 3.219 15.054 12.979 688 HE21 GLN 86 1HE2 GLN 86 4.323 13.101 12.739 689 HE22 GLN 86 2HE2 GLN 86 5.445 12.543 13.921 690 H ASN 87 H ASN 87 3.573 18.030 9.163 691 HA ASN 87 HA ASN 87 4.605 19.149 7.477 692 HB2 ASN 87 2HB ASN 87 5.741 20.724 9.799 693 HB3 ASN 87 3HB ASN 87 5.827 21.231 8.114 694 HD21 ASN 87 1HD2 ASN 87 3.944 21.903 7.071 695 HD22 ASN 87 2HD2 ASN 87 2.511 22.308 7.942 696 H LYS 88 H LYS 88 5.961 16.776 8.427 697 HA LYS 88 HA LYS 88 8.806 17.267 8.295 698 HB2 LYS 88 2HB LYS 88 7.261 14.666 8.113 699 HB3 LYS 88 3HB LYS 88 9.007 14.802 8.264 700 HG2 LYS 88 2HG LYS 88 8.779 15.770 10.476 701 HG3 LYS 88 3HG LYS 88 7.018 15.757 10.327 702 HD2 LYS 88 2HD LYS 88 7.046 13.313 10.147 703 HD3 LYS 88 3HD LYS 88 8.804 13.313 10.274 704 HE2 LYS 88 2HE LYS 88 8.677 14.178 12.528 705 HE3 LYS 88 3HE LYS 88 6.925 14.343 12.401 706 HZ1 LYS 88 3HZ LYS 88 7.572 12.345 13.614 707 HZ2 LYS 88 1HZ LYS 88 8.422 11.782 12.265 708 HZ3 LYS 88 2HZ LYS 88 6.738 11.951 12.194 709 H GLN 89 H GLN 89 6.575 15.405 6.209 710 HA GLN 89 HA GLN 89 6.810 14.558 4.109 711 HB2 GLN 89 2HB GLN 89 7.702 17.409 3.630 712 HB3 GLN 89 3HB GLN 89 7.291 16.276 2.353 713 HG2 GLN 89 2HG GLN 89 5.396 17.638 2.663 714 HG3 GLN 89 3HG GLN 89 5.007 16.085 3.398 715 HE21 GLN 89 1HE2 GLN 89 5.730 19.427 3.983 716 HE22 GLN 89 2HE2 GLN 89 5.219 19.453 5.629 717 H ILE 90 H ILE 90 8.508 13.068 4.660 718 HA ILE 90 HA ILE 90 11.264 13.883 4.156 719 HB ILE 90 HB ILE 90 11.921 11.699 4.969 720 HG12 ILE 90 2HG1 ILE 90 8.959 11.065 5.100 721 HG13 ILE 90 3HG1 ILE 90 10.106 10.365 3.966 722 HG21 ILE 90 1HG2 ILE 90 11.441 13.434 6.620 723 HG22 ILE 90 2HG2 ILE 90 11.064 11.834 7.255 724 HG23 ILE 90 3HG2 ILE 90 9.762 12.894 6.714 725 HD11 ILE 90 3HD1 ILE 90 9.634 8.816 5.750 726 HD12 ILE 90 1HD1 ILE 90 10.113 10.011 6.956 727 HD13 ILE 90 2HD1 ILE 90 11.313 9.346 5.845 728 H SER 91 H SER 91 12.665 12.284 2.921 729 HA SER 91 HA SER 91 11.686 12.020 0.243 730 HB2 SER 91 2HB SER 91 14.268 11.175 1.577 731 HB3 SER 91 3HB SER 91 13.945 10.907 -0.136 732 HG SER 91 HG SER 91 14.943 13.060 0.922 733 H MET 92 H MET 92 11.359 10.131 -0.985 734 HA MET 92 HA MET 92 10.083 7.982 0.270 735 HB2 MET 92 2HB MET 92 10.296 6.818 -1.954 736 HB3 MET 92 3HB MET 92 9.568 8.415 -2.013 737 HG2 MET 92 2HG MET 92 11.034 8.207 -3.872 738 HG3 MET 92 3HG MET 92 11.770 9.329 -2.730 739 HE1 MET 92 3HE MET 92 11.857 5.708 -4.249 740 HE2 MET 92 1HE MET 92 11.626 5.383 -2.532 741 HE3 MET 92 2HE MET 92 13.150 4.954 -3.312 742 H ALA 93 H ALA 93 13.473 8.426 -0.524 743 HA ALA 93 HA ALA 93 14.374 5.797 -0.037 744 HB1 ALA 93 3HB ALA 93 16.566 6.798 0.317 745 HB2 ALA 93 1HB ALA 93 15.832 8.395 0.452 746 HB3 ALA 93 2HB ALA 93 15.767 7.522 -1.080 747 H GLU 94 H GLU 94 14.004 8.583 2.170 748 HA GLU 94 HA GLU 94 14.835 7.312 4.530 749 HB2 GLU 94 2HB GLU 94 12.739 9.479 4.223 750 HB3 GLU 94 3HB GLU 94 13.538 9.035 5.725 751 HG2 GLU 94 2HG GLU 94 15.701 9.700 4.730 752 HG3 GLU 94 3HG GLU 94 14.841 10.229 3.286 753 H ALA 95 H ALA 95 11.701 7.333 2.899 754 HA ALA 95 HA ALA 95 10.219 5.956 4.867 755 HB1 ALA 95 3HB ALA 95 9.177 7.105 2.972 756 HB2 ALA 95 1HB ALA 95 8.650 5.426 3.076 757 HB3 ALA 95 2HB ALA 95 9.848 5.902 1.869 758 H GLN 96 H GLN 96 12.373 4.801 2.315 759 HA GLN 96 HA GLN 96 11.821 2.036 2.553 760 HB2 GLN 96 2HB GLN 96 14.278 3.514 1.592 761 HB3 GLN 96 3HB GLN 96 14.130 1.763 1.525 762 HG2 GLN 96 2HG GLN 96 12.277 3.719 0.166 763 HG3 GLN 96 3HG GLN 96 13.598 2.847 -0.616 764 HE21 GLN 96 1HE2 GLN 96 10.476 2.558 0.872 765 HE22 GLN 96 2HE2 GLN 96 10.104 0.991 0.258 766 H GLY 97 H GLY 97 13.645 4.197 4.547 767 HA2 GLY 97 2HA GLY 97 15.257 2.319 5.920 768 HA3 GLY 97 3HA GLY 97 14.739 3.876 6.548 769 H LYS 98 H LYS 98 11.990 3.547 6.615 770 HA LYS 98 HA LYS 98 11.707 1.796 8.916 771 HB2 LYS 98 2HB LYS 98 10.724 4.193 8.621 772 HB3 LYS 98 3HB LYS 98 9.466 3.402 7.685 773 HG2 LYS 98 2HG LYS 98 10.135 2.616 10.517 774 HG3 LYS 98 3HG LYS 98 8.952 3.859 10.117 775 HD2 LYS 98 2HD LYS 98 7.582 2.255 8.942 776 HD3 LYS 98 3HD LYS 98 8.809 1.003 9.135 777 HE2 LYS 98 2HE LYS 98 8.507 1.083 11.565 778 HE3 LYS 98 3HE LYS 98 7.284 2.339 11.376 779 HZ1 LYS 98 3HZ LYS 98 5.849 0.818 10.283 780 HZ2 LYS 98 1HZ LYS 98 6.401 0.053 11.684 781 HZ3 LYS 98 2HZ LYS 98 7.049 -0.369 10.180 782 H PHE 99 H PHE 99 10.559 1.939 5.571 783 HA PHE 99 HA PHE 99 9.249 -0.686 5.954 784 HB2 PHE 99 2HB PHE 99 8.600 1.412 3.869 785 HB3 PHE 99 3HB PHE 99 7.767 -0.121 4.094 786 HD1 PHE 99 HD2 PHE 99 6.459 -0.493 6.206 787 HD2 PHE 99 HD1 PHE 99 8.010 3.321 5.121 788 HE1 PHE 99 HE2 PHE 99 4.892 0.581 7.764 789 HE2 PHE 99 HE1 PHE 99 6.443 4.404 6.680 790 HZ PHE 99 HZ PHE 99 4.880 3.032 8.002 791 HA PRO 100 HA PRO 100 12.819 -1.275 2.953 792 HB2 PRO 100 2HB PRO 100 13.791 -3.563 4.075 793 HB3 PRO 100 3HB PRO 100 14.281 -1.949 4.605 794 HG2 PRO 100 2HG PRO 100 12.261 -3.806 5.815 795 HG3 PRO 100 3HG PRO 100 13.501 -2.824 6.618 796 HD2 PRO 100 2HD PRO 100 10.902 -2.066 6.499 797 HD3 PRO 100 3HD PRO 100 12.235 -0.892 6.491 798 H GLU 101 H GLU 101 10.291 -3.331 4.208 799 HA GLU 101 HA GLU 101 10.511 -5.317 2.111 800 HB2 GLU 101 2HB GLU 101 8.310 -4.931 4.155 801 HB3 GLU 101 3HB GLU 101 8.583 -6.364 3.171 802 HG2 GLU 101 2HG GLU 101 10.784 -6.645 4.295 803 HG3 GLU 101 3HG GLU 101 10.368 -5.297 5.352 804 H VAL 102 H VAL 102 9.130 -2.249 2.322 805 HA VAL 102 HA VAL 102 7.068 -2.852 0.293 806 HB VAL 102 HB VAL 102 7.362 -0.366 2.004 807 HG11 VAL 102 1HG1 VAL 102 5.147 -1.206 0.128 808 HG12 VAL 102 2HG1 VAL 102 6.275 0.128 -0.110 809 HG13 VAL 102 3HG1 VAL 102 5.100 0.192 1.204 810 HG21 VAL 102 3HG2 VAL 102 5.410 -2.661 2.274 811 HG22 VAL 102 1HG2 VAL 102 5.408 -1.183 3.238 812 HG23 VAL 102 2HG2 VAL 102 6.755 -2.313 3.359 813 H VAL 103 H VAL 103 7.096 -1.816 -1.705 814 HA VAL 103 HA VAL 103 9.641 -0.512 -2.388 815 HB VAL 103 HB VAL 103 7.508 -1.601 -4.241 816 HG11 VAL 103 1HG1 VAL 103 10.321 -0.641 -4.805 817 HG12 VAL 103 2HG1 VAL 103 8.821 0.137 -5.315 818 HG13 VAL 103 3HG1 VAL 103 9.265 -1.439 -5.971 819 HG21 VAL 103 3HG2 VAL 103 9.040 -3.483 -4.603 820 HG22 VAL 103 1HG2 VAL 103 8.531 -3.380 -2.917 821 HG23 VAL 103 2HG2 VAL 103 10.138 -2.826 -3.388 822 H PHE 104 H PHE 104 9.504 1.650 -2.011 823 HA PHE 104 HA PHE 104 7.118 3.147 -2.753 824 HB2 PHE 104 2HB PHE 104 9.694 3.897 -1.373 825 HB3 PHE 104 3HB PHE 104 8.554 5.123 -1.919 826 HD1 PHE 104 HD1 PHE 104 8.613 1.968 0.093 827 HD2 PHE 104 HD2 PHE 104 6.941 5.851 -0.440 828 HE1 PHE 104 HE1 PHE 104 7.341 1.704 2.179 829 HE2 PHE 104 HE2 PHE 104 5.664 5.584 1.647 830 HZ PHE 104 HZ PHE 104 5.866 3.513 2.960 831 H SER 105 H SER 105 6.829 3.867 -4.759 832 HA SER 105 HA SER 105 9.004 3.957 -6.663 833 HB2 SER 105 2HB SER 105 6.812 3.135 -7.379 834 HB3 SER 105 3HB SER 105 6.078 4.687 -6.981 835 HG SER 105 HG SER 105 6.533 4.569 -9.198 836 H GLY 106 H GLY 106 10.351 5.646 -6.703 837 HA2 GLY 106 2HA GLY 106 9.189 8.369 -6.554 838 HA3 GLY 106 3HA GLY 106 10.726 7.967 -5.803 839 H SER 107 H SER 107 9.183 9.018 -8.664 840 HA SER 107 HA SER 107 11.774 9.161 -10.032 841 HB2 SER 107 2HB SER 107 10.727 7.089 -10.867 842 HB3 SER 107 3HB SER 107 9.294 8.001 -11.341 843 HG SER 107 HG SER 107 10.306 8.274 -13.160 844 H ASN 108 H ASN 108 11.711 10.622 -11.953 845 HA ASN 108 HA ASN 108 10.270 13.020 -11.287 846 HB2 ASN 108 2HB ASN 108 12.180 12.357 -13.535 847 HB3 ASN 108 3HB ASN 108 11.434 13.943 -13.339 848 HD21 ASN 108 1HD2 ASN 108 11.982 15.203 -11.540 849 HD22 ASN 108 2HD2 ASN 108 13.421 14.901 -10.632 850 H LEU 109 H LEU 109 8.981 14.260 -12.804 851 HA LEU 109 HA LEU 109 6.877 12.598 -13.864 852 HB2 LEU 109 2HB LEU 109 7.192 15.596 -13.656 853 HB3 LEU 109 3HB LEU 109 5.769 14.819 -14.321 854 HG LEU 109 HG LEU 109 5.374 13.717 -12.123 855 HD11 LEU 109 1HD1 LEU 109 7.662 15.450 -11.184 856 HD12 LEU 109 2HD1 LEU 109 7.633 13.687 -11.247 857 HD13 LEU 109 3HD1 LEU 109 6.564 14.545 -10.141 858 HD21 LEU 109 3HD2 LEU 109 4.245 15.801 -12.717 859 HD22 LEU 109 1HD2 LEU 109 5.573 16.727 -12.015 860 HD23 LEU 109 2HD2 LEU 109 4.561 15.712 -10.985 861 H GLU 110 H GLU 110 6.247 12.354 -15.974 862 HA GLU 110 HA GLU 110 8.210 12.944 -18.016 863 HB2 GLU 110 2HB GLU 110 5.511 11.581 -18.207 864 HB3 GLU 110 3HB GLU 110 6.690 11.682 -19.508 865 HG2 GLU 110 2HG GLU 110 8.289 10.415 -18.117 866 HG3 GLU 110 3HG GLU 110 7.043 10.257 -16.877 867 H HIS 111 H HIS 111 8.043 14.402 -19.689 868 HA HIS 111 HA HIS 111 5.633 16.118 -19.735 869 HB2 HIS 111 2HB HIS 111 8.520 16.815 -20.280 870 HB3 HIS 111 3HB HIS 111 7.185 17.872 -20.735 871 HD1 HIS 111 HD1 HIS 111 9.408 17.124 -17.975 872 HD2 HIS 111 HD2 HIS 111 5.583 18.686 -18.390 873 HE1 HIS 111 HE1 HIS 111 8.909 18.262 -15.798 874 HE2 HIS 111 HE2 HIS 111 6.519 19.012 -16.002 875 H HIS 112 H HIS 112 6.939 13.656 -21.369 876 HA HIS 112 HA HIS 112 6.286 14.667 -24.047 877 HB2 HIS 112 2HB HIS 112 7.584 12.107 -23.097 878 HB3 HIS 112 3HB HIS 112 7.105 12.367 -24.771 879 HD1 HIS 112 HD1 HIS 112 9.429 13.861 -22.158 880 HD2 HIS 112 HD2 HIS 112 8.920 13.716 -26.280 881 HE1 HIS 112 HE1 HIS 112 11.461 14.964 -23.129 882 HE2 HIS 112 HE2 HIS 112 11.195 14.741 -25.616 883 H HIS 113 H HIS 113 4.483 14.151 -25.107 884 HA HIS 113 HA HIS 113 2.280 13.036 -23.703 885 HB2 HIS 113 2HB HIS 113 1.874 14.778 -25.292 886 HB3 HIS 113 3HB HIS 113 2.666 13.881 -26.580 887 HD1 HIS 113 HD1 HIS 113 -0.427 13.593 -24.385 888 HD2 HIS 113 HD2 HIS 113 0.947 12.456 -28.139 889 HE1 HIS 113 HE1 HIS 113 -2.396 12.547 -25.536 890 HE2 HIS 113 HE2 HIS 113 -1.563 11.921 -27.821 891 H HIS 114 H HIS 114 1.968 10.926 -23.345 892 HA HIS 114 HA HIS 114 3.124 8.836 -24.905 893 HB2 HIS 114 2HB HIS 114 0.966 8.864 -22.792 894 HB3 HIS 114 3HB HIS 114 1.445 7.382 -23.615 895 HD1 HIS 114 HD1 HIS 114 3.523 6.233 -22.809 896 HD2 HIS 114 HD2 HIS 114 3.068 10.022 -21.169 897 HE1 HIS 114 HE1 HIS 114 5.304 6.422 -21.056 898 HE2 HIS 114 HE2 HIS 114 4.937 8.666 -19.998 899 H HIS 115 H HIS 115 2.028 7.292 -26.276 900 HA HIS 115 HA HIS 115 0.956 6.929 -28.253 901 HB2 HIS 115 2HB HIS 115 -1.317 8.416 -26.891 902 HB3 HIS 115 3HB HIS 115 -1.468 7.476 -28.374 903 HD1 HIS 115 HD1 HIS 115 -1.614 4.941 -28.153 904 HD2 HIS 115 HD2 HIS 115 -0.957 6.863 -24.528 905 HE1 HIS 115 HE1 HIS 115 -1.939 3.185 -26.395 906 HE2 HIS 115 HE2 HIS 115 -1.693 4.402 -24.210 907 H HIS 116 H HIS 116 2.737 8.660 -28.622 908 HA HIS 116 HA HIS 116 2.328 11.353 -28.962 909 HB2 HIS 116 2HB HIS 116 4.487 9.948 -29.062 910 HB3 HIS 116 3HB HIS 116 4.151 9.781 -30.780 911 HD1 HIS 116 HD1 HIS 116 4.619 11.810 -32.268 912 HD2 HIS 116 HD2 HIS 116 5.230 12.546 -28.226 913 HE1 HIS 116 HE1 HIS 116 5.813 14.014 -32.160 914 HE2 HIS 116 HE2 HIS 116 6.378 14.313 -29.725 Start of MODEL 4 1 H1 MET 1 1H MET 1 5.528 -32.538 -11.772 2 H2 MET 1 2H MET 1 5.759 -31.020 -11.067 3 H3 MET 1 3H MET 1 7.032 -31.771 -11.884 4 HA MET 1 HA MET 1 6.092 -30.013 -13.222 5 HB2 MET 1 2HB MET 1 5.530 -32.811 -14.234 6 HB3 MET 1 3HB MET 1 5.528 -31.378 -15.254 7 HG2 MET 1 2HG MET 1 7.865 -32.509 -13.729 8 HG3 MET 1 3HG MET 1 7.626 -32.522 -15.476 9 HE1 MET 1 3HE MET 1 10.313 -31.510 -14.206 10 HE2 MET 1 1HE MET 1 10.597 -30.013 -15.096 11 HE3 MET 1 2HE MET 1 10.001 -31.441 -15.941 12 H ALA 2 H ALA 2 3.651 -32.643 -13.040 13 HA ALA 2 HA ALA 2 1.519 -30.944 -13.883 14 HB1 ALA 2 3HB ALA 2 1.516 -33.362 -14.294 15 HB2 ALA 2 1HB ALA 2 0.069 -32.848 -13.423 16 HB3 ALA 2 2HB ALA 2 1.380 -33.654 -12.561 17 H ALA 3 H ALA 3 2.159 -32.508 -10.711 18 HA ALA 3 HA ALA 3 0.294 -30.699 -9.402 19 HB1 ALA 3 3HB ALA 3 0.367 -33.038 -8.702 20 HB2 ALA 3 1HB ALA 3 0.798 -31.965 -7.369 21 HB3 ALA 3 2HB ALA 3 2.055 -32.855 -8.228 22 H SER 4 H SER 4 0.995 -28.664 -9.091 23 HA SER 4 HA SER 4 3.697 -28.276 -7.946 24 HB2 SER 4 2HB SER 4 2.281 -26.466 -9.929 25 HB3 SER 4 3HB SER 4 3.838 -26.128 -9.174 26 HG SER 4 HG SER 4 4.013 -27.045 -11.297 27 H THR 5 H THR 5 3.759 -27.186 -6.063 28 HA THR 5 HA THR 5 1.455 -26.402 -4.660 29 HB THR 5 HB THR 5 4.332 -25.558 -4.201 30 HG1 THR 5 HG1 THR 5 3.418 -27.262 -2.370 31 HG21 THR 5 3HG2 THR 5 3.618 -25.042 -1.897 32 HG22 THR 5 1HG2 THR 5 1.944 -25.367 -2.353 33 HG23 THR 5 2HG2 THR 5 2.808 -24.010 -3.077 34 H VAL 6 H VAL 6 0.128 -24.794 -5.256 35 HA VAL 6 HA VAL 6 0.981 -22.528 -6.765 36 HB VAL 6 HB VAL 6 -1.271 -23.329 -7.053 37 HG11 VAL 6 1HG1 VAL 6 -1.680 -24.253 -4.835 38 HG12 VAL 6 2HG1 VAL 6 -2.985 -23.165 -5.309 39 HG13 VAL 6 3HG1 VAL 6 -1.764 -22.627 -4.156 40 HG21 VAL 6 3HG2 VAL 6 -0.913 -20.944 -7.426 41 HG22 VAL 6 1HG2 VAL 6 -1.287 -20.607 -5.735 42 HG23 VAL 6 2HG2 VAL 6 -2.539 -21.236 -6.808 43 H HIS 7 H HIS 7 2.563 -21.396 -5.663 44 HA HIS 7 HA HIS 7 1.690 -20.036 -3.188 45 HB2 HIS 7 2HB HIS 7 4.176 -19.831 -2.666 46 HB3 HIS 7 3HB HIS 7 3.471 -21.435 -2.521 47 HD1 HIS 7 HD1 HIS 7 5.450 -19.437 -5.092 48 HD2 HIS 7 HD2 HIS 7 4.901 -23.348 -3.800 49 HE1 HIS 7 HE1 HIS 7 7.086 -20.815 -6.406 50 HE2 HIS 7 HE2 HIS 7 6.729 -23.181 -5.626 51 H THR 8 H THR 8 0.762 -18.354 -4.421 52 HA THR 8 HA THR 8 2.579 -16.631 -5.952 53 HB THR 8 HB THR 8 -0.405 -16.308 -5.491 54 HG1 THR 8 HG1 THR 8 -0.214 -18.103 -6.726 55 HG21 THR 8 3HG2 THR 8 0.733 -14.213 -6.101 56 HG22 THR 8 1HG2 THR 8 -0.311 -14.780 -7.405 57 HG23 THR 8 2HG2 THR 8 1.435 -15.007 -7.512 58 H SER 9 H SER 9 3.808 -15.399 -4.605 59 HA SER 9 HA SER 9 2.777 -14.313 -2.137 60 HB2 SER 9 2HB SER 9 5.403 -13.832 -3.573 61 HB3 SER 9 3HB SER 9 5.016 -13.226 -1.962 62 HG SER 9 HG SER 9 4.803 -15.389 -1.271 63 H PHE 10 H PHE 10 2.812 -11.965 -1.637 64 HA PHE 10 HA PHE 10 1.916 -10.394 -3.978 65 HB2 PHE 10 2HB PHE 10 0.759 -10.382 -1.176 66 HB3 PHE 10 3HB PHE 10 0.269 -9.296 -2.474 67 HD1 PHE 10 HD1 PHE 10 -0.932 -10.184 -4.448 68 HD2 PHE 10 HD2 PHE 10 -0.018 -12.644 -1.087 69 HE1 PHE 10 HE1 PHE 10 -2.590 -11.836 -5.208 70 HE2 PHE 10 HE2 PHE 10 -1.672 -14.299 -1.846 71 HZ PHE 10 HZ PHE 10 -2.961 -13.895 -3.909 72 H ILE 11 H ILE 11 2.892 -8.491 -4.290 73 HA ILE 11 HA ILE 11 4.609 -7.410 -2.141 74 HB ILE 11 HB ILE 11 4.771 -6.825 -5.109 75 HG12 ILE 11 2HG1 ILE 11 6.372 -8.775 -3.423 76 HG13 ILE 11 3HG1 ILE 11 5.287 -9.176 -4.749 77 HG21 ILE 11 1HG2 ILE 11 6.995 -5.912 -4.556 78 HG22 ILE 11 2HG2 ILE 11 6.676 -6.206 -2.847 79 HG23 ILE 11 3HG2 ILE 11 5.693 -5.047 -3.741 80 HD11 ILE 11 3HD1 ILE 11 6.781 -8.047 -6.318 81 HD12 ILE 11 1HD1 ILE 11 7.604 -9.335 -5.438 82 HD13 ILE 11 2HD1 ILE 11 7.872 -7.653 -4.988 83 H LEU 12 H LEU 12 4.459 -5.227 -1.556 84 HA LEU 12 HA LEU 12 2.094 -3.801 -2.594 85 HB2 LEU 12 2HB LEU 12 2.140 -4.277 -0.162 86 HB3 LEU 12 3HB LEU 12 3.616 -3.340 -0.023 87 HG LEU 12 HG LEU 12 2.332 -1.334 -0.846 88 HD11 LEU 12 1HD1 LEU 12 -0.050 -3.130 -0.409 89 HD12 LEU 12 2HD1 LEU 12 0.506 -2.492 -1.958 90 HD13 LEU 12 3HD1 LEU 12 -0.105 -1.395 -0.721 91 HD21 LEU 12 3HD2 LEU 12 2.812 -1.671 1.530 92 HD22 LEU 12 1HD2 LEU 12 1.325 -2.607 1.700 93 HD23 LEU 12 2HD2 LEU 12 1.249 -0.892 1.292 94 H LYS 13 H LYS 13 2.379 -2.045 -3.824 95 HA LYS 13 HA LYS 13 4.938 -0.582 -3.671 96 HB2 LYS 13 2HB LYS 13 2.978 -0.700 -5.978 97 HB3 LYS 13 3HB LYS 13 4.456 0.251 -5.946 98 HG2 LYS 13 2HG LYS 13 5.690 -1.951 -5.630 99 HG3 LYS 13 3HG LYS 13 4.168 -2.740 -6.048 100 HD2 LYS 13 2HD LYS 13 5.792 -0.847 -7.760 101 HD3 LYS 13 3HD LYS 13 5.496 -2.562 -8.049 102 HE2 LYS 13 2HE LYS 13 3.386 -0.395 -8.056 103 HE3 LYS 13 3HE LYS 13 4.118 -1.106 -9.493 104 HZ1 LYS 13 3HZ LYS 13 1.905 -2.034 -8.824 105 HZ2 LYS 13 1HZ LYS 13 2.661 -2.711 -7.472 106 HZ3 LYS 13 2HZ LYS 13 3.130 -3.180 -9.022 107 H VAL 14 H VAL 14 4.930 1.628 -3.385 108 HA VAL 14 HA VAL 14 2.307 2.956 -3.084 109 HB VAL 14 HB VAL 14 4.710 3.268 -1.265 110 HG11 VAL 14 1HG1 VAL 14 2.088 4.770 -1.268 111 HG12 VAL 14 2HG1 VAL 14 3.685 5.435 -1.614 112 HG13 VAL 14 3HG1 VAL 14 3.307 4.852 0.006 113 HG21 VAL 14 3HG2 VAL 14 3.228 2.425 0.488 114 HG22 VAL 14 1HG2 VAL 14 3.378 1.253 -0.823 115 HG23 VAL 14 2HG2 VAL 14 1.923 2.241 -0.687 116 H LEU 15 H LEU 15 2.118 4.576 -4.487 117 HA LEU 15 HA LEU 15 4.421 5.795 -5.751 118 HB2 LEU 15 2HB LEU 15 1.967 5.269 -6.680 119 HB3 LEU 15 3HB LEU 15 1.651 6.885 -6.083 120 HG LEU 15 HG LEU 15 3.714 6.129 -8.169 121 HD11 LEU 15 1HD1 LEU 15 1.115 7.642 -8.423 122 HD12 LEU 15 2HD1 LEU 15 1.419 5.998 -8.988 123 HD13 LEU 15 3HD1 LEU 15 2.281 7.356 -9.715 124 HD21 LEU 15 3HD2 LEU 15 4.036 8.539 -8.471 125 HD22 LEU 15 1HD2 LEU 15 4.498 8.025 -6.850 126 HD23 LEU 15 2HD2 LEU 15 2.964 8.856 -7.107 127 H TRP 16 H TRP 16 5.524 7.345 -4.721 128 HA TRP 16 HA TRP 16 4.189 8.884 -2.597 129 HB2 TRP 16 2HB TRP 16 6.270 7.482 -2.157 130 HB3 TRP 16 3HB TRP 16 7.164 8.663 -3.108 131 HD1 TRP 16 HD1 TRP 16 7.684 11.014 -1.958 132 HE1 TRP 16 HE1 TRP 16 7.529 11.827 0.479 133 HE3 TRP 16 HE3 TRP 16 4.842 7.231 -0.013 134 HZ2 TRP 16 HZ2 TRP 16 6.360 10.980 2.908 135 HZ3 TRP 16 HZ3 TRP 16 4.253 7.306 2.376 136 HH2 TRP 16 HH2 TRP 16 4.999 9.144 3.806 137 H LEU 17 H LEU 17 3.374 10.759 -3.349 138 HA LEU 17 HA LEU 17 4.976 12.382 -5.230 139 HB2 LEU 17 2HB LEU 17 2.017 12.440 -4.608 140 HB3 LEU 17 3HB LEU 17 2.822 13.558 -5.696 141 HG LEU 17 HG LEU 17 2.695 10.561 -6.106 142 HD11 LEU 17 1HD1 LEU 17 1.106 12.744 -7.456 143 HD12 LEU 17 2HD1 LEU 17 0.478 11.579 -6.289 144 HD13 LEU 17 3HD1 LEU 17 1.071 11.025 -7.853 145 HD21 LEU 17 3HD2 LEU 17 4.658 11.584 -7.128 146 HD22 LEU 17 1HD2 LEU 17 3.638 12.782 -7.927 147 HD23 LEU 17 2HD2 LEU 17 3.505 11.077 -8.361 148 H ASP 18 H ASP 18 4.031 14.868 -4.900 149 HA ASP 18 HA ASP 18 5.421 15.874 -2.702 150 HB2 ASP 18 2HB ASP 18 3.139 17.287 -4.099 151 HB3 ASP 18 3HB ASP 18 4.519 18.023 -3.289 152 H GLN 19 H GLN 19 1.874 16.042 -3.120 153 HA GLN 19 HA GLN 19 1.568 15.725 -0.195 154 HB2 GLN 19 2HB GLN 19 -0.143 17.442 -2.013 155 HB3 GLN 19 3HB GLN 19 -0.342 17.254 -0.275 156 HG2 GLN 19 2HG GLN 19 1.851 18.293 0.080 157 HG3 GLN 19 3HG GLN 19 2.030 18.499 -1.662 158 HE21 GLN 19 1HE2 GLN 19 0.720 20.021 -2.721 159 HE22 GLN 19 2HE2 GLN 19 -0.080 21.282 -1.857 160 H ASN 20 H ASN 20 1.171 14.095 -2.924 161 HA ASN 20 HA ASN 20 -1.343 12.796 -2.059 162 HB2 ASN 20 2HB ASN 20 -0.126 13.021 -4.822 163 HB3 ASN 20 3HB ASN 20 -1.411 11.885 -4.442 164 HD21 ASN 20 1HD2 ASN 20 -1.160 15.165 -3.181 165 HD22 ASN 20 2HD2 ASN 20 -2.554 15.764 -3.993 166 H VAL 21 H VAL 21 -1.392 10.485 -2.053 167 HA VAL 21 HA VAL 21 1.079 9.034 -2.612 168 HB VAL 21 HB VAL 21 1.460 9.626 -0.317 169 HG11 VAL 21 1HG1 VAL 21 -1.285 8.527 0.290 170 HG12 VAL 21 2HG1 VAL 21 -0.822 10.230 0.295 171 HG13 VAL 21 3HG1 VAL 21 -0.122 9.121 1.475 172 HG21 VAL 21 3HG2 VAL 21 1.522 7.429 0.780 173 HG22 VAL 21 1HG2 VAL 21 2.067 7.336 -0.896 174 HG23 VAL 21 2HG2 VAL 21 0.451 6.778 -0.461 175 H ALA 22 H ALA 22 0.656 7.075 -3.492 176 HA ALA 22 HA ALA 22 -2.117 6.056 -3.284 177 HB1 ALA 22 3HB ALA 22 -0.368 5.982 -5.741 178 HB2 ALA 22 1HB ALA 22 -1.675 7.131 -5.457 179 HB3 ALA 22 2HB ALA 22 -2.031 5.410 -5.612 180 H ILE 23 H ILE 23 -2.424 3.840 -3.121 181 HA ILE 23 HA ILE 23 0.026 2.203 -2.800 182 HB ILE 23 HB ILE 23 -1.266 0.769 -1.250 183 HG12 ILE 23 2HG1 ILE 23 -3.413 2.899 -1.535 184 HG13 ILE 23 3HG1 ILE 23 -3.533 1.238 -2.103 185 HG21 ILE 23 1HG2 ILE 23 0.147 2.529 -0.349 186 HG22 ILE 23 2HG2 ILE 23 -1.295 2.340 0.645 187 HG23 ILE 23 3HG2 ILE 23 -1.174 3.691 -0.483 188 HD11 ILE 23 3HD1 ILE 23 -3.308 2.119 0.766 189 HD12 ILE 23 1HD1 ILE 23 -3.401 0.449 0.208 190 HD13 ILE 23 2HD1 ILE 23 -4.762 1.540 -0.045 191 H ALA 24 H ALA 24 0.053 0.061 -3.573 192 HA ALA 24 HA ALA 24 -2.202 -1.063 -5.002 193 HB1 ALA 24 3HB ALA 24 -1.264 0.481 -6.677 194 HB2 ALA 24 1HB ALA 24 -1.112 -1.205 -7.175 195 HB3 ALA 24 2HB ALA 24 0.292 -0.338 -6.550 196 H VAL 25 H VAL 25 -1.795 -3.295 -5.719 197 HA VAL 25 HA VAL 25 0.502 -4.539 -4.324 198 HB VAL 25 HB VAL 25 -2.305 -5.656 -4.588 199 HG11 VAL 25 1HG1 VAL 25 -0.653 -7.448 -4.723 200 HG12 VAL 25 2HG1 VAL 25 -1.506 -7.514 -3.182 201 HG13 VAL 25 3HG1 VAL 25 0.131 -6.860 -3.256 202 HG21 VAL 25 3HG2 VAL 25 -2.369 -5.458 -2.136 203 HG22 VAL 25 1HG2 VAL 25 -2.153 -3.891 -2.917 204 HG23 VAL 25 2HG2 VAL 25 -0.777 -4.696 -2.163 205 H ASP 26 H ASP 26 1.432 -6.405 -5.256 206 HA ASP 26 HA ASP 26 0.694 -6.997 -8.056 207 HB2 ASP 26 2HB ASP 26 3.496 -6.986 -6.901 208 HB3 ASP 26 3HB ASP 26 3.053 -7.312 -8.575 209 H GLN 27 H GLN 27 0.840 -9.145 -8.720 210 HA GLN 27 HA GLN 27 1.115 -11.129 -6.560 211 HB2 GLN 27 2HB GLN 27 -0.211 -12.630 -7.961 212 HB3 GLN 27 3HB GLN 27 -1.060 -11.112 -7.711 213 HG2 GLN 27 2HG GLN 27 -0.355 -10.366 -9.946 214 HG3 GLN 27 3HG GLN 27 0.449 -11.912 -10.197 215 HE21 GLN 27 1HE2 GLN 27 -0.833 -13.790 -10.411 216 HE22 GLN 27 2HE2 GLN 27 -2.499 -13.689 -10.853 217 H ILE 28 H ILE 28 2.828 -12.448 -6.547 218 HA ILE 28 HA ILE 28 4.699 -12.448 -8.760 219 HB ILE 28 HB ILE 28 4.806 -13.882 -6.093 220 HG12 ILE 28 2HG1 ILE 28 6.203 -11.397 -7.132 221 HG13 ILE 28 3HG1 ILE 28 4.945 -11.443 -5.903 222 HG21 ILE 28 1HG2 ILE 28 7.177 -14.315 -6.616 223 HG22 ILE 28 2HG2 ILE 28 6.934 -13.651 -8.232 224 HG23 ILE 28 3HG2 ILE 28 6.092 -15.123 -7.747 225 HD11 ILE 28 3HD1 ILE 28 6.451 -12.664 -4.418 226 HD12 ILE 28 1HD1 ILE 28 7.124 -11.114 -4.915 227 HD13 ILE 28 2HD1 ILE 28 7.710 -12.607 -5.650 228 H VAL 29 H VAL 29 3.953 -13.550 -10.454 229 HA VAL 29 HA VAL 29 2.448 -16.014 -10.184 230 HB VAL 29 HB VAL 29 3.395 -14.630 -12.710 231 HG11 VAL 29 1HG1 VAL 29 1.174 -16.635 -12.270 232 HG12 VAL 29 2HG1 VAL 29 2.704 -16.937 -13.093 233 HG13 VAL 29 3HG1 VAL 29 1.535 -15.819 -13.792 234 HG21 VAL 29 3HG2 VAL 29 0.781 -14.293 -11.228 235 HG22 VAL 29 1HG2 VAL 29 1.171 -13.588 -12.799 236 HG23 VAL 29 2HG2 VAL 29 2.064 -13.089 -11.363 237 H GLY 30 H GLY 30 3.044 -17.983 -11.420 238 HA2 GLY 30 2HA GLY 30 5.496 -19.069 -10.812 239 HA3 GLY 30 3HA GLY 30 4.479 -19.640 -12.124 240 H LYS 31 H LYS 31 4.759 -17.048 -13.604 241 HA LYS 31 HA LYS 31 7.260 -17.607 -14.940 242 HB2 LYS 31 2HB LYS 31 5.214 -16.922 -16.180 243 HB3 LYS 31 3HB LYS 31 5.305 -15.342 -15.413 244 HG2 LYS 31 2HG LYS 31 7.540 -15.020 -16.463 245 HG3 LYS 31 3HG LYS 31 7.312 -16.544 -17.318 246 HD2 LYS 31 2HD LYS 31 6.716 -14.779 -18.816 247 HD3 LYS 31 3HD LYS 31 5.221 -15.574 -18.320 248 HE2 LYS 31 2HE LYS 31 4.826 -13.790 -16.680 249 HE3 LYS 31 3HE LYS 31 6.318 -13.000 -17.182 250 HZ1 LYS 31 3HZ LYS 31 3.904 -13.440 -18.847 251 HZ2 LYS 31 1HZ LYS 31 5.358 -12.791 -19.423 252 HZ3 LYS 31 2HZ LYS 31 4.465 -11.959 -18.254 253 H GLY 32 H GLY 32 6.054 -15.193 -12.701 254 HA2 GLY 32 2HA GLY 32 8.439 -14.268 -11.718 255 HA3 GLY 32 3HA GLY 32 8.151 -13.281 -13.145 256 H THR 33 H THR 33 6.923 -11.489 -12.899 257 HA THR 33 HA THR 33 5.140 -11.316 -10.545 258 HB THR 33 HB THR 33 5.712 -8.894 -10.357 259 HG1 THR 33 HG1 THR 33 7.571 -8.148 -11.449 260 HG21 THR 33 3HG2 THR 33 8.085 -10.747 -10.056 261 HG22 THR 33 1HG2 THR 33 6.779 -10.557 -8.883 262 HG23 THR 33 2HG2 THR 33 7.855 -9.204 -9.233 263 H SER 34 H SER 34 3.324 -9.913 -10.735 264 HA SER 34 HA SER 34 2.722 -8.688 -13.305 265 HB2 SER 34 2HB SER 34 1.007 -10.939 -12.201 266 HB3 SER 34 3HB SER 34 0.550 -9.895 -13.543 267 HG SER 34 HG SER 34 2.943 -10.838 -14.113 268 HA PRO 35 HA PRO 35 0.873 -5.751 -10.461 269 HB2 PRO 35 2HB PRO 35 -0.716 -4.947 -12.852 270 HB3 PRO 35 3HB PRO 35 0.304 -3.963 -11.795 271 HG2 PRO 35 2HG PRO 35 1.134 -4.623 -14.238 272 HG3 PRO 35 3HG PRO 35 2.268 -4.606 -12.873 273 HD2 PRO 35 2HD PRO 35 0.936 -6.943 -14.204 274 HD3 PRO 35 3HD PRO 35 2.610 -6.781 -13.627 275 H LEU 36 H LEU 36 -0.649 -6.354 -9.027 276 HA LEU 36 HA LEU 36 -2.922 -7.971 -9.865 277 HB2 LEU 36 2HB LEU 36 -1.638 -8.568 -7.846 278 HB3 LEU 36 3HB LEU 36 -2.090 -7.043 -7.109 279 HG LEU 36 HG LEU 36 -4.485 -7.764 -7.204 280 HD11 LEU 36 1HD1 LEU 36 -4.304 -9.363 -9.040 281 HD12 LEU 36 2HD1 LEU 36 -4.998 -10.116 -7.606 282 HD13 LEU 36 3HD1 LEU 36 -3.313 -10.420 -8.032 283 HD21 LEU 36 3HD2 LEU 36 -3.203 -8.014 -5.151 284 HD22 LEU 36 1HD2 LEU 36 -2.612 -9.586 -5.691 285 HD23 LEU 36 2HD2 LEU 36 -4.327 -9.359 -5.346 286 H THR 37 H THR 37 -2.494 -4.950 -7.993 287 HA THR 37 HA THR 37 -5.155 -4.061 -8.948 288 HB THR 37 HB THR 37 -5.503 -2.832 -6.894 289 HG1 THR 37 HG1 THR 37 -3.846 -2.291 -5.711 290 HG21 THR 37 3HG2 THR 37 -5.680 -4.652 -5.270 291 HG22 THR 37 1HG2 THR 37 -4.591 -5.642 -6.242 292 HG23 THR 37 2HG2 THR 37 -6.177 -5.197 -6.873 293 H SER 38 H SER 38 -5.399 -1.631 -8.906 294 HA SER 38 HA SER 38 -3.016 -0.380 -10.069 295 HB2 SER 38 2HB SER 38 -5.202 -0.193 -11.243 296 HB3 SER 38 3HB SER 38 -5.843 0.699 -9.865 297 HG SER 38 HG SER 38 -4.582 1.677 -11.932 298 H TYR 39 H TYR 39 -2.903 2.122 -9.530 299 HA TYR 39 HA TYR 39 -2.305 2.282 -6.709 300 HB2 TYR 39 2HB TYR 39 -1.866 4.093 -9.062 301 HB3 TYR 39 3HB TYR 39 -1.671 4.719 -7.431 302 HD1 TYR 39 HD2 TYR 39 -0.065 3.436 -5.872 303 HD2 TYR 39 HD1 TYR 39 -0.061 2.994 -10.108 304 HE1 TYR 39 HE2 TYR 39 2.234 2.580 -5.773 305 HE2 TYR 39 HE1 TYR 39 2.243 2.135 -10.017 306 HH TYR 39 HH TYR 39 3.786 1.308 -7.039 307 H PHE 40 H PHE 40 -3.807 2.756 -5.245 308 HA PHE 40 HA PHE 40 -6.084 4.470 -5.936 309 HB2 PHE 40 2HB PHE 40 -5.546 3.008 -3.335 310 HB3 PHE 40 3HB PHE 40 -7.073 3.707 -3.865 311 HD1 PHE 40 HD1 PHE 40 -7.949 2.771 -6.194 312 HD2 PHE 40 HD2 PHE 40 -5.244 0.731 -3.610 313 HE1 PHE 40 HE1 PHE 40 -8.571 0.631 -7.233 314 HE2 PHE 40 HE2 PHE 40 -5.868 -1.411 -4.647 315 HZ PHE 40 HZ PHE 40 -7.533 -1.464 -6.462 316 H PHE 41 H PHE 41 -5.999 6.599 -5.549 317 HA PHE 41 HA PHE 41 -3.687 7.691 -4.211 318 HB2 PHE 41 2HB PHE 41 -5.947 9.008 -5.721 319 HB3 PHE 41 3HB PHE 41 -4.577 9.882 -5.043 320 HD1 PHE 41 HD1 PHE 41 -5.655 7.531 -7.650 321 HD2 PHE 41 HD2 PHE 41 -2.378 9.731 -6.039 322 HE1 PHE 41 HE1 PHE 41 -4.351 7.085 -9.691 323 HE2 PHE 41 HE2 PHE 41 -1.071 9.284 -8.075 324 HZ PHE 41 HZ PHE 41 -2.058 7.961 -9.905 325 H TRP 42 H TRP 42 -3.742 7.734 -2.068 326 HA TRP 42 HA TRP 42 -5.991 8.880 -0.596 327 HB2 TRP 42 2HB TRP 42 -5.033 7.005 0.488 328 HB3 TRP 42 3HB TRP 42 -3.394 7.538 0.154 329 HD1 TRP 42 HD1 TRP 42 -2.238 9.089 1.931 330 HE1 TRP 42 HE1 TRP 42 -2.873 9.878 4.281 331 HE3 TRP 42 HE3 TRP 42 -7.166 7.717 1.944 332 HZ2 TRP 42 HZ2 TRP 42 -5.146 9.924 5.934 333 HZ3 TRP 42 HZ3 TRP 42 -8.499 8.176 3.960 334 HH2 TRP 42 HH2 TRP 42 -7.509 9.255 5.915 335 HA PRO 43 HA PRO 43 -6.523 10.017 0.969 336 HB2 PRO 43 2HB PRO 43 -7.307 12.299 2.086 337 HB3 PRO 43 3HB PRO 43 -5.865 11.463 2.675 338 HG2 PRO 43 2HG PRO 43 -6.080 13.903 0.971 339 HG3 PRO 43 3HG PRO 43 -4.876 13.498 2.206 340 HD2 PRO 43 2HD PRO 43 -4.616 13.173 -0.606 341 HD3 PRO 43 3HD PRO 43 -3.504 12.575 0.642 342 H ARG 44 H ARG 44 -6.289 11.318 -1.926 343 HA ARG 44 HA ARG 44 -8.642 12.876 -2.251 344 HB2 ARG 44 2HB ARG 44 -7.111 11.321 -4.350 345 HB3 ARG 44 3HB ARG 44 -8.273 12.608 -4.660 346 HG2 ARG 44 2HG ARG 44 -6.741 14.111 -3.285 347 HG3 ARG 44 3HG ARG 44 -5.547 12.818 -3.398 348 HD2 ARG 44 2HD ARG 44 -5.122 14.433 -5.130 349 HD3 ARG 44 3HD ARG 44 -5.713 12.946 -5.872 350 HE ARG 44 HE ARG 44 -7.977 14.314 -5.656 351 HH11 ARG 44 1HH1 ARG 44 -4.887 15.354 -6.767 352 HH12 ARG 44 2HH1 ARG 44 -5.546 16.578 -7.789 353 HH21 ARG 44 1HH2 ARG 44 -8.817 15.863 -6.970 354 HH22 ARG 44 2HH2 ARG 44 -7.767 16.847 -7.932 355 H ALA 45 H ALA 45 -8.156 9.509 -1.968 356 HA ALA 45 HA ALA 45 -11.023 9.073 -2.029 357 HB1 ALA 45 3HB ALA 45 -10.932 7.188 -3.594 358 HB2 ALA 45 1HB ALA 45 -9.214 7.486 -3.865 359 HB3 ALA 45 2HB ALA 45 -10.408 8.680 -4.375 360 H ASP 46 H ASP 46 -11.618 7.037 -0.968 361 HA ASP 46 HA ASP 46 -9.914 6.323 1.166 362 HB2 ASP 46 2HB ASP 46 -12.495 6.091 0.947 363 HB3 ASP 46 3HB ASP 46 -12.142 4.537 0.196 364 H ALA 47 H ALA 47 -7.926 5.717 0.311 365 HA ALA 47 HA ALA 47 -7.521 3.903 -1.792 366 HB1 ALA 47 3HB ALA 47 -5.190 3.861 -1.086 367 HB2 ALA 47 1HB ALA 47 -5.631 4.599 0.454 368 HB3 ALA 47 2HB ALA 47 -5.828 5.505 -1.046 369 H TRP 48 H TRP 48 -7.477 3.382 1.727 370 HA TRP 48 HA TRP 48 -6.616 0.698 1.648 371 HB2 TRP 48 2HB TRP 48 -6.652 2.301 3.650 372 HB3 TRP 48 3HB TRP 48 -8.350 1.872 3.827 373 HD1 TRP 48 HD1 TRP 48 -4.875 0.159 3.847 374 HE1 TRP 48 HE1 TRP 48 -5.007 -1.891 5.389 375 HE3 TRP 48 HE3 TRP 48 -9.856 0.320 5.000 376 HZ2 TRP 48 HZ2 TRP 48 -6.958 -3.266 6.891 377 HZ3 TRP 48 HZ3 TRP 48 -10.771 -1.401 6.501 378 HH2 TRP 48 HH2 TRP 48 -9.349 -3.155 7.427 379 H GLN 49 H GLN 49 -9.886 2.115 1.672 380 HA GLN 49 HA GLN 49 -11.296 -0.337 1.867 381 HB2 GLN 49 2HB GLN 49 -12.293 1.935 2.251 382 HB3 GLN 49 3HB GLN 49 -12.262 2.192 0.510 383 HG2 GLN 49 2HG GLN 49 -14.470 1.521 1.185 384 HG3 GLN 49 3HG GLN 49 -13.743 0.237 0.220 385 HE21 GLN 49 1HE2 GLN 49 -12.970 0.902 3.577 386 HE22 GLN 49 2HE2 GLN 49 -13.643 -0.558 4.203 387 H GLN 50 H GLN 50 -10.358 1.610 -0.971 388 HA GLN 50 HA GLN 50 -11.489 -0.051 -2.941 389 HB2 GLN 50 2HB GLN 50 -9.063 1.752 -3.082 390 HB3 GLN 50 3HB GLN 50 -9.833 1.015 -4.482 391 HG2 GLN 50 2HG GLN 50 -11.869 2.252 -4.065 392 HG3 GLN 50 3HG GLN 50 -11.194 2.914 -2.575 393 HE21 GLN 50 1HE2 GLN 50 -9.600 4.494 -2.701 394 HE22 GLN 50 2HE2 GLN 50 -9.313 5.389 -4.148 395 H LEU 51 H LEU 51 -8.319 -0.152 -1.362 396 HA LEU 51 HA LEU 51 -7.238 -2.222 -2.968 397 HB2 LEU 51 2HB LEU 51 -5.863 -0.704 -1.599 398 HB3 LEU 51 3HB LEU 51 -6.511 -1.437 -0.142 399 HG LEU 51 HG LEU 51 -5.473 -3.588 -0.755 400 HD11 LEU 51 1HD1 LEU 51 -3.889 -3.706 -2.614 401 HD12 LEU 51 2HD1 LEU 51 -4.325 -2.067 -3.097 402 HD13 LEU 51 3HD1 LEU 51 -5.523 -3.362 -3.176 403 HD21 LEU 51 3HD2 LEU 51 -3.134 -2.941 -0.391 404 HD22 LEU 51 1HD2 LEU 51 -4.229 -2.049 0.667 405 HD23 LEU 51 2HD2 LEU 51 -3.541 -1.264 -0.755 406 H LYS 52 H LYS 52 -8.684 -2.346 0.320 407 HA LYS 52 HA LYS 52 -8.455 -5.129 0.620 408 HB2 LYS 52 2HB LYS 52 -10.003 -4.955 2.459 409 HB3 LYS 52 3HB LYS 52 -8.926 -3.570 2.489 410 HG2 LYS 52 2HG LYS 52 -10.699 -2.197 1.455 411 HG3 LYS 52 3HG LYS 52 -11.780 -3.590 1.517 412 HD2 LYS 52 2HD LYS 52 -10.473 -2.300 3.921 413 HD3 LYS 52 3HD LYS 52 -12.130 -2.005 3.394 414 HE2 LYS 52 2HE LYS 52 -11.059 -4.724 4.154 415 HE3 LYS 52 3HE LYS 52 -11.898 -3.649 5.268 416 HZ1 LYS 52 3HZ LYS 52 -13.039 -4.746 2.755 417 HZ2 LYS 52 1HZ LYS 52 -13.842 -3.727 3.844 418 HZ3 LYS 52 2HZ LYS 52 -13.393 -5.288 4.315 419 H ASP 53 H ASP 53 -11.115 -3.179 -0.719 420 HA ASP 53 HA ASP 53 -12.962 -5.256 -1.085 421 HB2 ASP 53 2HB ASP 53 -13.464 -2.812 -1.285 422 HB3 ASP 53 3HB ASP 53 -12.635 -2.806 -2.839 423 H GLU 54 H GLU 54 -10.347 -4.114 -3.198 424 HA GLU 54 HA GLU 54 -10.784 -5.838 -5.380 425 HB2 GLU 54 2HB GLU 54 -8.516 -4.248 -4.325 426 HB3 GLU 54 3HB GLU 54 -8.059 -5.609 -5.333 427 HG2 GLU 54 2HG GLU 54 -10.069 -3.554 -6.217 428 HG3 GLU 54 3HG GLU 54 -8.336 -3.369 -6.480 429 H LEU 55 H LEU 55 -8.789 -6.277 -2.469 430 HA LEU 55 HA LEU 55 -7.863 -8.871 -3.128 431 HB2 LEU 55 2HB LEU 55 -8.111 -7.547 -0.421 432 HB3 LEU 55 3HB LEU 55 -7.167 -8.986 -0.764 433 HG LEU 55 HG LEU 55 -6.648 -6.251 -1.954 434 HD11 LEU 55 1HD1 LEU 55 -6.166 -6.301 0.441 435 HD12 LEU 55 2HD1 LEU 55 -4.683 -6.194 -0.507 436 HD13 LEU 55 3HD1 LEU 55 -5.158 -7.732 0.216 437 HD21 LEU 55 3HD2 LEU 55 -5.955 -8.040 -3.449 438 HD22 LEU 55 1HD2 LEU 55 -5.075 -8.825 -2.137 439 HD23 LEU 55 2HD2 LEU 55 -4.543 -7.255 -2.742 440 H GLU 56 H GLU 56 -10.733 -7.742 -1.434 441 HA GLU 56 HA GLU 56 -11.555 -10.338 -0.514 442 HB2 GLU 56 2HB GLU 56 -13.093 -7.742 -0.784 443 HB3 GLU 56 3HB GLU 56 -13.718 -9.194 -0.011 444 HG2 GLU 56 2HG GLU 56 -12.001 -9.072 1.693 445 HG3 GLU 56 3HG GLU 56 -11.270 -7.683 0.891 446 H ALA 57 H ALA 57 -12.249 -8.336 -3.338 447 HA ALA 57 HA ALA 57 -14.346 -9.896 -4.422 448 HB1 ALA 57 3HB ALA 57 -12.355 -8.153 -5.883 449 HB2 ALA 57 1HB ALA 57 -13.868 -7.605 -5.160 450 HB3 ALA 57 2HB ALA 57 -13.896 -8.731 -6.519 451 H LYS 58 H LYS 58 -10.832 -10.040 -4.840 452 HA LYS 58 HA LYS 58 -10.925 -12.265 -6.683 453 HB2 LYS 58 2HB LYS 58 -8.532 -11.291 -5.109 454 HB3 LYS 58 3HB LYS 58 -8.530 -12.180 -6.627 455 HG2 LYS 58 2HG LYS 58 -9.340 -10.278 -7.828 456 HG3 LYS 58 3HG LYS 58 -9.629 -9.391 -6.330 457 HD2 LYS 58 2HD LYS 58 -7.130 -9.618 -5.890 458 HD3 LYS 58 3HD LYS 58 -6.985 -10.153 -7.567 459 HE2 LYS 58 2HE LYS 58 -8.091 -7.504 -6.618 460 HE3 LYS 58 3HE LYS 58 -6.512 -7.766 -7.357 461 HZ1 LYS 58 3HZ LYS 58 -7.576 -8.399 -9.397 462 HZ2 LYS 58 1HZ LYS 58 -8.175 -6.893 -8.912 463 HZ3 LYS 58 2HZ LYS 58 -9.108 -8.287 -8.696 464 H HIS 59 H HIS 59 -11.746 -14.145 -5.835 465 HA HIS 59 HA HIS 59 -11.716 -14.756 -3.081 466 HB2 HIS 59 2HB HIS 59 -13.465 -15.594 -4.549 467 HB3 HIS 59 3HB HIS 59 -12.290 -16.553 -5.443 468 HD1 HIS 59 HD1 HIS 59 -14.050 -16.428 -2.101 469 HD2 HIS 59 HD2 HIS 59 -11.686 -19.014 -4.338 470 HE1 HIS 59 HE1 HIS 59 -14.107 -18.620 -0.882 471 HE2 HIS 59 HE2 HIS 59 -12.589 -20.135 -2.194 472 H TRP 60 H TRP 60 -9.415 -15.548 -5.598 473 HA TRP 60 HA TRP 60 -8.219 -17.722 -4.164 474 HB2 TRP 60 2HB TRP 60 -6.481 -17.712 -5.857 475 HB3 TRP 60 3HB TRP 60 -8.062 -17.569 -6.612 476 HD1 TRP 60 HD1 TRP 60 -8.697 -15.030 -7.551 477 HE1 TRP 60 HE1 TRP 60 -7.143 -13.250 -8.571 478 HE3 TRP 60 HE3 TRP 60 -4.220 -16.758 -5.787 479 HZ2 TRP 60 HZ2 TRP 60 -4.380 -12.657 -8.616 480 HZ3 TRP 60 HZ3 TRP 60 -2.170 -15.529 -6.366 481 HH2 TRP 60 HH2 TRP 60 -2.249 -13.521 -7.753 482 H ILE 61 H ILE 61 -8.124 -14.425 -3.592 483 HA ILE 61 HA ILE 61 -5.514 -14.458 -2.284 484 HB ILE 61 HB ILE 61 -7.653 -12.344 -2.552 485 HG12 ILE 61 2HG1 ILE 61 -5.793 -11.016 -3.508 486 HG13 ILE 61 3HG1 ILE 61 -4.695 -12.365 -3.236 487 HG21 ILE 61 1HG2 ILE 61 -5.255 -12.211 -0.716 488 HG22 ILE 61 2HG2 ILE 61 -6.953 -12.198 -0.236 489 HG23 ILE 61 3HG2 ILE 61 -6.284 -10.843 -1.145 490 HD11 ILE 61 3HD1 ILE 61 -5.379 -12.204 -5.554 491 HD12 ILE 61 1HD1 ILE 61 -7.066 -12.375 -5.078 492 HD13 ILE 61 2HD1 ILE 61 -5.941 -13.707 -4.825 493 H ALA 62 H ALA 62 -5.162 -14.699 -0.110 494 HA ALA 62 HA ALA 62 -7.437 -15.756 1.423 495 HB1 ALA 62 3HB ALA 62 -5.460 -17.198 1.146 496 HB2 ALA 62 1HB ALA 62 -5.804 -16.835 2.837 497 HB3 ALA 62 2HB ALA 62 -4.488 -16.002 2.007 498 H GLU 63 H GLU 63 -7.533 -15.295 3.748 499 HA GLU 63 HA GLU 63 -7.575 -12.539 4.287 500 HB2 GLU 63 2HB GLU 63 -9.052 -14.092 5.428 501 HB3 GLU 63 3HB GLU 63 -7.681 -14.896 6.180 502 HG2 GLU 63 2HG GLU 63 -7.187 -12.932 7.491 503 HG3 GLU 63 3HG GLU 63 -8.444 -12.018 6.658 504 H ALA 64 H ALA 64 -5.280 -15.057 5.334 505 HA ALA 64 HA ALA 64 -3.731 -13.561 7.078 506 HB1 ALA 64 3HB ALA 64 -2.753 -15.730 5.224 507 HB2 ALA 64 1HB ALA 64 -3.543 -15.988 6.779 508 HB3 ALA 64 2HB ALA 64 -1.975 -15.187 6.712 509 H ASP 65 H ASP 65 -3.172 -13.981 3.558 510 HA ASP 65 HA ASP 65 -0.915 -12.223 3.597 511 HB2 ASP 65 2HB ASP 65 -1.290 -12.400 0.986 512 HB3 ASP 65 3HB ASP 65 -0.621 -13.735 1.913 513 H ARG 66 H ARG 66 -4.286 -11.827 2.434 514 HA ARG 66 HA ARG 66 -3.935 -9.231 1.419 515 HB2 ARG 66 2HB ARG 66 -6.284 -9.014 1.355 516 HB3 ARG 66 3HB ARG 66 -5.960 -10.718 1.091 517 HG2 ARG 66 2HG ARG 66 -6.528 -11.173 3.445 518 HG3 ARG 66 3HG ARG 66 -6.902 -9.463 3.667 519 HD2 ARG 66 2HD ARG 66 -8.582 -9.693 1.808 520 HD3 ARG 66 3HD ARG 66 -8.300 -11.434 1.861 521 HE ARG 66 HE ARG 66 -8.976 -10.418 4.428 522 HH11 ARG 66 1HH1 ARG 66 -10.313 -11.399 1.411 523 HH12 ARG 66 2HH1 ARG 66 -11.898 -11.628 2.065 524 HH21 ARG 66 1HH2 ARG 66 -11.024 -10.732 5.258 525 HH22 ARG 66 2HH2 ARG 66 -12.294 -11.251 4.201 526 H ILE 67 H ILE 67 -4.764 -10.296 4.712 527 HA ILE 67 HA ILE 67 -5.116 -7.708 5.803 528 HB ILE 67 HB ILE 67 -4.336 -10.308 7.147 529 HG12 ILE 67 2HG1 ILE 67 -6.580 -10.298 6.160 530 HG13 ILE 67 3HG1 ILE 67 -6.685 -10.298 7.914 531 HG21 ILE 67 1HG2 ILE 67 -5.099 -7.681 8.434 532 HG22 ILE 67 2HG2 ILE 67 -3.525 -8.471 8.515 533 HG23 ILE 67 3HG2 ILE 67 -4.927 -9.218 9.280 534 HD11 ILE 67 3HD1 ILE 67 -8.335 -8.823 6.916 535 HD12 ILE 67 1HD1 ILE 67 -7.053 -7.900 6.130 536 HD13 ILE 67 2HD1 ILE 67 -7.182 -7.911 7.890 537 H ASN 68 H ASN 68 -2.245 -9.770 5.465 538 HA ASN 68 HA ASN 68 -0.387 -8.238 6.862 539 HB2 ASN 68 2HB ASN 68 0.236 -10.402 6.008 540 HB3 ASN 68 3HB ASN 68 -0.046 -9.889 4.346 541 HD21 ASN 68 1HD2 ASN 68 2.003 -10.294 3.632 542 HD22 ASN 68 2HD2 ASN 68 3.380 -9.377 4.126 543 H VAL 69 H VAL 69 -1.014 -8.066 3.326 544 HA VAL 69 HA VAL 69 0.560 -5.761 2.923 545 HB VAL 69 HB VAL 69 -0.510 -5.551 0.730 546 HG11 VAL 69 1HG1 VAL 69 1.297 -7.157 0.974 547 HG12 VAL 69 2HG1 VAL 69 0.098 -7.770 -0.164 548 HG13 VAL 69 3HG1 VAL 69 0.156 -8.406 1.481 549 HG21 VAL 69 3HG2 VAL 69 -2.284 -7.058 0.018 550 HG22 VAL 69 1HG2 VAL 69 -2.815 -6.093 1.395 551 HG23 VAL 69 2HG2 VAL 69 -2.347 -7.778 1.629 552 H LEU 70 H LEU 70 -2.812 -6.116 3.862 553 HA LEU 70 HA LEU 70 -3.520 -3.375 3.524 554 HB2 LEU 70 2HB LEU 70 -4.706 -5.589 5.195 555 HB3 LEU 70 3HB LEU 70 -5.371 -3.965 5.180 556 HG LEU 70 HG LEU 70 -5.137 -5.766 2.754 557 HD11 LEU 70 1HD1 LEU 70 -6.793 -6.582 4.367 558 HD12 LEU 70 2HD1 LEU 70 -7.559 -5.970 2.902 559 HD13 LEU 70 3HD1 LEU 70 -7.571 -4.999 4.374 560 HD21 LEU 70 3HD2 LEU 70 -6.434 -3.056 3.103 561 HD22 LEU 70 1HD2 LEU 70 -6.542 -4.068 1.661 562 HD23 LEU 70 2HD2 LEU 70 -4.985 -3.410 2.161 563 H ASN 71 H ASN 71 -2.113 -5.190 6.237 564 HA ASN 71 HA ASN 71 -2.351 -3.085 8.142 565 HB2 ASN 71 2HB ASN 71 -0.538 -5.506 8.058 566 HB3 ASN 71 3HB ASN 71 -0.571 -4.376 9.408 567 HD21 ASN 71 1HD2 ASN 71 -1.203 -7.165 9.479 568 HD22 ASN 71 2HD2 ASN 71 -2.849 -7.293 9.984 569 H GLN 72 H GLN 72 0.462 -4.212 6.222 570 HA GLN 72 HA GLN 72 2.197 -2.147 7.027 571 HB2 GLN 72 2HB GLN 72 3.558 -2.749 5.063 572 HB3 GLN 72 3HB GLN 72 3.041 -4.163 5.968 573 HG2 GLN 72 2HG GLN 72 1.195 -4.446 4.295 574 HG3 GLN 72 3HG GLN 72 1.952 -3.170 3.347 575 HE21 GLN 72 1HE2 GLN 72 3.697 -5.612 5.176 576 HE22 GLN 72 2HE2 GLN 72 4.359 -6.421 3.805 577 H ALA 73 H ALA 73 -0.126 -2.308 4.333 578 HA ALA 73 HA ALA 73 0.408 0.211 3.201 579 HB1 ALA 73 3HB ALA 73 -2.236 -1.244 3.392 580 HB2 ALA 73 1HB ALA 73 -1.042 -1.410 2.103 581 HB3 ALA 73 2HB ALA 73 -1.893 0.120 2.327 582 H THR 74 H THR 74 -1.839 -0.703 5.819 583 HA THR 74 HA THR 74 -2.859 1.820 6.440 584 HB THR 74 HB THR 74 -2.269 -0.475 8.335 585 HG1 THR 74 HG1 THR 74 -3.869 -1.268 7.174 586 HG21 THR 74 3HG2 THR 74 -3.951 0.565 9.822 587 HG22 THR 74 1HG2 THR 74 -4.015 1.962 8.748 588 HG23 THR 74 2HG2 THR 74 -2.526 1.583 9.614 589 H GLU 75 H GLU 75 0.117 0.245 7.607 590 HA GLU 75 HA GLU 75 0.977 2.292 9.325 591 HB2 GLU 75 2HB GLU 75 2.576 0.283 7.730 592 HB3 GLU 75 3HB GLU 75 3.286 1.364 8.919 593 HG2 GLU 75 2HG GLU 75 1.738 0.360 10.621 594 HG3 GLU 75 3HG GLU 75 1.290 -0.836 9.404 595 H VAL 76 H VAL 76 1.536 1.839 5.832 596 HA VAL 76 HA VAL 76 3.219 4.076 5.459 597 HB VAL 76 HB VAL 76 1.318 2.808 3.466 598 HG11 VAL 76 1HG1 VAL 76 3.666 4.652 3.002 599 HG12 VAL 76 2HG1 VAL 76 1.966 5.048 2.753 600 HG13 VAL 76 3HG1 VAL 76 2.744 3.830 1.742 601 HG21 VAL 76 3HG2 VAL 76 4.265 2.326 3.938 602 HG22 VAL 76 1HG2 VAL 76 3.289 1.594 2.664 603 HG23 VAL 76 2HG2 VAL 76 2.956 1.219 4.353 604 H ILE 77 H ILE 77 -0.319 3.764 5.139 605 HA ILE 77 HA ILE 77 -0.907 6.389 4.368 606 HB ILE 77 HB ILE 77 -2.562 4.465 6.024 607 HG12 ILE 77 2HG1 ILE 77 -2.620 5.112 3.057 608 HG13 ILE 77 3HG1 ILE 77 -1.949 3.649 3.766 609 HG21 ILE 77 1HG2 ILE 77 -3.363 6.749 6.350 610 HG22 ILE 77 2HG2 ILE 77 -4.506 5.828 5.374 611 HG23 ILE 77 3HG2 ILE 77 -3.429 6.991 4.604 612 HD11 ILE 77 3HD1 ILE 77 -4.181 3.041 4.583 613 HD12 ILE 77 1HD1 ILE 77 -4.136 3.228 2.831 614 HD13 ILE 77 2HD1 ILE 77 -4.837 4.497 3.832 615 H ASN 78 H ASN 78 -0.892 4.998 7.672 616 HA ASN 78 HA ASN 78 -1.340 7.480 8.977 617 HB2 ASN 78 2HB ASN 78 -0.323 4.816 9.967 618 HB3 ASN 78 3HB ASN 78 -0.468 6.212 11.032 619 HD21 ASN 78 1HD2 ASN 78 -2.201 3.819 9.213 620 HD22 ASN 78 2HD2 ASN 78 -3.754 4.159 9.883 621 H PHE 79 H PHE 79 1.583 5.870 7.888 622 HA PHE 79 HA PHE 79 3.452 7.454 9.316 623 HB2 PHE 79 2HB PHE 79 4.034 5.321 8.175 624 HB3 PHE 79 3HB PHE 79 3.809 6.111 6.620 625 HD1 PHE 79 HD2 PHE 79 5.778 6.414 9.772 626 HD2 PHE 79 HD1 PHE 79 5.644 7.072 5.564 627 HE1 PHE 79 HE2 PHE 79 8.140 7.099 9.808 628 HE2 PHE 79 HE1 PHE 79 8.008 7.759 5.597 629 HZ PHE 79 HZ PHE 79 9.255 7.772 7.719 630 H TRP 80 H TRP 80 2.269 7.709 5.958 631 HA TRP 80 HA TRP 80 3.425 10.112 5.224 632 HB2 TRP 80 2HB TRP 80 2.167 8.675 3.678 633 HB3 TRP 80 3HB TRP 80 0.665 9.074 4.505 634 HD1 TRP 80 HD1 TRP 80 3.300 10.626 2.176 635 HE1 TRP 80 HE1 TRP 80 2.264 12.663 1.006 636 HE3 TRP 80 HE3 TRP 80 -1.150 10.833 4.698 637 HZ2 TRP 80 HZ2 TRP 80 -0.119 14.165 1.132 638 HZ3 TRP 80 HZ3 TRP 80 -2.750 12.606 4.108 639 HH2 TRP 80 HH2 TRP 80 -2.244 14.237 2.362 640 H GLN 81 H GLN 81 0.214 9.646 6.708 641 HA GLN 81 HA GLN 81 -0.446 12.340 7.084 642 HB2 GLN 81 2HB GLN 81 -2.064 10.514 7.305 643 HB3 GLN 81 3HB GLN 81 -1.235 9.926 8.739 644 HG2 GLN 81 2HG GLN 81 -1.812 11.993 9.922 645 HG3 GLN 81 3HG GLN 81 -2.638 12.585 8.482 646 HE21 GLN 81 1HE2 GLN 81 -2.731 10.320 11.105 647 HE22 GLN 81 2HE2 GLN 81 -4.387 9.875 10.931 648 H ASP 82 H ASP 82 1.365 10.120 9.168 649 HA ASP 82 HA ASP 82 1.626 11.764 11.424 650 HB2 ASP 82 2HB ASP 82 2.157 9.346 11.373 651 HB3 ASP 82 3HB ASP 82 3.566 9.686 10.375 652 H LEU 83 H LEU 83 3.656 11.468 8.527 653 HA LEU 83 HA LEU 83 5.651 13.322 9.286 654 HB2 LEU 83 2HB LEU 83 4.692 12.638 6.500 655 HB3 LEU 83 3HB LEU 83 6.212 13.420 6.903 656 HG LEU 83 HG LEU 83 5.423 10.585 7.591 657 HD11 LEU 83 1HD1 LEU 83 7.484 11.670 5.673 658 HD12 LEU 83 2HD1 LEU 83 5.961 10.889 5.242 659 HD13 LEU 83 3HD1 LEU 83 7.224 9.968 6.057 660 HD21 LEU 83 3HD2 LEU 83 7.968 12.093 8.214 661 HD22 LEU 83 1HD2 LEU 83 7.723 10.362 8.447 662 HD23 LEU 83 2HD2 LEU 83 6.774 11.518 9.381 663 H LYS 84 H LYS 84 2.668 13.724 7.376 664 HA LYS 84 HA LYS 84 2.946 16.463 6.817 665 HB2 LYS 84 2HB LYS 84 0.376 14.902 7.191 666 HB3 LYS 84 3HB LYS 84 0.533 16.447 6.366 667 HG2 LYS 84 2HG LYS 84 1.851 13.881 5.490 668 HG3 LYS 84 3HG LYS 84 0.352 14.525 4.825 669 HD2 LYS 84 2HD LYS 84 2.865 16.178 4.821 670 HD3 LYS 84 3HD LYS 84 2.592 14.963 3.575 671 HE2 LYS 84 2HE LYS 84 1.855 17.107 2.761 672 HE3 LYS 84 3HE LYS 84 0.451 16.074 3.011 673 HZ1 LYS 84 3HZ LYS 84 0.083 18.331 3.799 674 HZ2 LYS 84 1HZ LYS 84 1.376 18.196 4.877 675 HZ3 LYS 84 2HZ LYS 84 0.001 17.232 5.074 676 H ASN 85 H ASN 85 1.348 14.830 9.551 677 HA ASN 85 HA ASN 85 0.408 17.118 10.883 678 HB2 ASN 85 2HB ASN 85 1.284 14.452 12.027 679 HB3 ASN 85 3HB ASN 85 0.423 15.691 12.935 680 HD21 ASN 85 1HD2 ASN 85 -0.422 13.000 12.402 681 HD22 ASN 85 2HD2 ASN 85 -1.902 13.114 11.521 682 H GLN 86 H GLN 86 3.453 15.318 11.358 683 HA GLN 86 HA GLN 86 4.450 17.293 13.222 684 HB2 GLN 86 2HB GLN 86 5.818 14.903 11.969 685 HB3 GLN 86 3HB GLN 86 6.486 15.892 13.263 686 HG2 GLN 86 2HG GLN 86 4.578 15.255 14.695 687 HG3 GLN 86 3HG GLN 86 3.992 14.204 13.407 688 HE21 GLN 86 1HE2 GLN 86 5.141 12.320 12.928 689 HE22 GLN 86 2HE2 GLN 86 6.290 11.653 14.027 690 H ASN 87 H ASN 87 4.148 17.406 9.974 691 HA ASN 87 HA ASN 87 4.982 18.759 8.351 692 HB2 ASN 87 2HB ASN 87 6.306 20.142 10.697 693 HB3 ASN 87 3HB ASN 87 6.277 20.783 9.059 694 HD21 ASN 87 1HD2 ASN 87 3.605 19.112 10.656 695 HD22 ASN 87 2HD2 ASN 87 2.562 20.479 10.705 696 H LYS 88 H LYS 88 6.503 16.345 9.261 697 HA LYS 88 HA LYS 88 9.295 16.909 9.021 698 HB2 LYS 88 2HB LYS 88 7.769 14.302 8.834 699 HB3 LYS 88 3HB LYS 88 9.523 14.416 8.806 700 HG2 LYS 88 2HG LYS 88 9.457 15.450 11.052 701 HG3 LYS 88 3HG LYS 88 7.708 15.218 11.077 702 HD2 LYS 88 2HD LYS 88 7.995 12.806 10.905 703 HD3 LYS 88 3HD LYS 88 9.744 13.001 10.776 704 HE2 LYS 88 2HE LYS 88 9.785 13.978 13.037 705 HE3 LYS 88 3HE LYS 88 8.041 13.733 13.162 706 HZ1 LYS 88 3HZ LYS 88 9.276 11.961 14.257 707 HZ2 LYS 88 1HZ LYS 88 10.063 11.585 12.809 708 HZ3 LYS 88 2HZ LYS 88 8.399 11.351 12.949 709 H GLN 89 H GLN 89 10.073 17.716 7.158 710 HA GLN 89 HA GLN 89 9.207 16.624 4.589 711 HB2 GLN 89 2HB GLN 89 11.250 18.786 5.178 712 HB3 GLN 89 3HB GLN 89 10.624 18.359 3.591 713 HG2 GLN 89 2HG GLN 89 8.378 19.059 4.300 714 HG3 GLN 89 3HG GLN 89 9.029 19.507 5.875 715 HE21 GLN 89 1HE2 GLN 89 8.434 21.660 5.637 716 HE22 GLN 89 2HE2 GLN 89 9.237 22.731 4.547 717 H ILE 90 H ILE 90 10.022 14.484 4.838 718 HA ILE 90 HA ILE 90 12.948 14.207 5.039 719 HB ILE 90 HB ILE 90 12.605 11.877 5.607 720 HG12 ILE 90 2HG1 ILE 90 9.623 12.391 5.389 721 HG13 ILE 90 3HG1 ILE 90 10.569 11.517 4.188 722 HG21 ILE 90 1HG2 ILE 90 11.461 12.151 7.763 723 HG22 ILE 90 2HG2 ILE 90 10.794 13.689 7.213 724 HG23 ILE 90 3HG2 ILE 90 12.537 13.505 7.421 725 HD11 ILE 90 3HD1 ILE 90 10.124 10.704 7.055 726 HD12 ILE 90 1HD1 ILE 90 11.135 9.839 5.895 727 HD13 ILE 90 2HD1 ILE 90 9.399 9.974 5.622 728 H SER 91 H SER 91 14.006 12.569 3.719 729 HA SER 91 HA SER 91 13.332 12.751 0.946 730 HB2 SER 91 2HB SER 91 15.363 10.933 2.287 731 HB3 SER 91 3HB SER 91 15.319 11.370 0.579 732 HG SER 91 HG SER 91 16.589 12.609 2.503 733 H MET 92 H MET 92 12.685 11.046 -0.479 734 HA MET 92 HA MET 92 10.760 9.252 0.496 735 HB2 MET 92 2HB MET 92 10.943 10.079 -1.863 736 HB3 MET 92 3HB MET 92 12.310 9.002 -2.096 737 HG2 MET 92 2HG MET 92 9.579 8.034 -1.286 738 HG3 MET 92 3HG MET 92 10.089 8.194 -2.964 739 HE1 MET 92 3HE MET 92 11.849 6.636 -4.148 740 HE2 MET 92 1HE MET 92 12.926 5.551 -3.268 741 HE3 MET 92 2HE MET 92 13.048 7.296 -3.035 742 H ALA 93 H ALA 93 14.209 8.825 -0.136 743 HA ALA 93 HA ALA 93 14.445 6.069 0.283 744 HB1 ALA 93 3HB ALA 93 16.439 8.210 1.034 745 HB2 ALA 93 1HB ALA 93 16.257 7.495 -0.569 746 HB3 ALA 93 2HB ALA 93 16.786 6.498 0.786 747 H GLU 94 H GLU 94 14.270 8.724 2.630 748 HA GLU 94 HA GLU 94 14.845 7.240 4.957 749 HB2 GLU 94 2HB GLU 94 13.132 9.711 4.602 750 HB3 GLU 94 3HB GLU 94 13.589 9.051 6.167 751 HG2 GLU 94 2HG GLU 94 15.981 9.371 5.525 752 HG3 GLU 94 3HG GLU 94 15.426 10.191 4.065 753 H ALA 95 H ALA 95 11.850 7.709 3.155 754 HA ALA 95 HA ALA 95 10.148 6.319 4.974 755 HB1 ALA 95 3HB ALA 95 9.258 7.828 3.263 756 HB2 ALA 95 1HB ALA 95 8.564 6.213 3.105 757 HB3 ALA 95 2HB ALA 95 9.830 6.743 1.996 758 H GLN 96 H GLN 96 12.037 5.320 2.138 759 HA GLN 96 HA GLN 96 11.301 2.601 2.088 760 HB2 GLN 96 2HB GLN 96 13.770 4.067 1.168 761 HB3 GLN 96 3HB GLN 96 13.600 2.328 0.963 762 HG2 GLN 96 2HG GLN 96 11.614 4.329 -0.108 763 HG3 GLN 96 3HG GLN 96 12.981 3.712 -1.034 764 HE21 GLN 96 1HE2 GLN 96 9.966 2.866 0.500 765 HE22 GLN 96 2HE2 GLN 96 9.731 1.375 -0.336 766 H GLY 97 H GLY 97 13.545 4.327 4.151 767 HA2 GLY 97 2HA GLY 97 14.854 2.066 5.275 768 HA3 GLY 97 3HA GLY 97 14.702 3.647 6.024 769 H LYS 98 H LYS 98 11.764 3.589 5.919 770 HA LYS 98 HA LYS 98 11.314 2.004 8.323 771 HB2 LYS 98 2HB LYS 98 10.567 4.479 7.830 772 HB3 LYS 98 3HB LYS 98 9.212 3.716 7.015 773 HG2 LYS 98 2HG LYS 98 9.926 3.086 9.873 774 HG3 LYS 98 3HG LYS 98 8.884 4.438 9.438 775 HD2 LYS 98 2HD LYS 98 7.299 2.913 8.390 776 HD3 LYS 98 3HD LYS 98 8.359 1.545 8.729 777 HE2 LYS 98 2HE LYS 98 8.091 1.910 11.127 778 HE3 LYS 98 3HE LYS 98 7.077 3.317 10.815 779 HZ1 LYS 98 3HZ LYS 98 5.867 1.224 11.368 780 HZ2 LYS 98 1HZ LYS 98 6.390 0.580 9.895 781 HZ3 LYS 98 2HZ LYS 98 5.386 1.945 9.918 782 H PHE 99 H PHE 99 10.359 2.035 4.938 783 HA PHE 99 HA PHE 99 8.926 -0.518 5.357 784 HB2 PHE 99 2HB PHE 99 8.183 1.637 3.361 785 HB3 PHE 99 3HB PHE 99 7.388 0.077 3.532 786 HD1 PHE 99 HD2 PHE 99 6.263 -0.444 5.768 787 HD2 PHE 99 HD1 PHE 99 7.468 3.477 4.613 788 HE1 PHE 99 HE2 PHE 99 4.719 0.521 7.422 789 HE2 PHE 99 HE1 PHE 99 5.928 4.440 6.267 790 HZ PHE 99 HZ PHE 99 4.549 2.962 7.673 791 HA PRO 100 HA PRO 100 12.428 -1.004 2.249 792 HB2 PRO 100 2HB PRO 100 13.421 -3.318 3.294 793 HB3 PRO 100 3HB PRO 100 13.914 -1.716 3.853 794 HG2 PRO 100 2HG PRO 100 11.901 -3.594 5.048 795 HG3 PRO 100 3HG PRO 100 13.168 -2.653 5.860 796 HD2 PRO 100 2HD PRO 100 10.596 -1.848 5.828 797 HD3 PRO 100 3HD PRO 100 11.940 -0.690 5.776 798 H GLU 101 H GLU 101 10.052 -3.280 3.523 799 HA GLU 101 HA GLU 101 10.224 -5.065 1.255 800 HB2 GLU 101 2HB GLU 101 8.213 -4.932 3.514 801 HB3 GLU 101 3HB GLU 101 8.324 -6.229 2.327 802 HG2 GLU 101 2HG GLU 101 10.540 -6.811 3.130 803 HG3 GLU 101 3HG GLU 101 10.501 -5.472 4.277 804 H VAL 102 H VAL 102 8.667 -2.115 1.838 805 HA VAL 102 HA VAL 102 6.547 -2.664 -0.134 806 HB VAL 102 HB VAL 102 6.866 -0.252 1.673 807 HG11 VAL 102 1HG1 VAL 102 4.564 -1.118 -0.087 808 HG12 VAL 102 2HG1 VAL 102 5.623 0.267 -0.356 809 HG13 VAL 102 3HG1 VAL 102 4.539 0.243 1.035 810 HG21 VAL 102 3HG2 VAL 102 5.058 -2.661 1.958 811 HG22 VAL 102 1HG2 VAL 102 4.998 -1.214 2.966 812 HG23 VAL 102 2HG2 VAL 102 6.426 -2.249 2.994 813 H VAL 103 H VAL 103 6.971 -2.112 -2.177 814 HA VAL 103 HA VAL 103 9.314 -0.571 -2.833 815 HB VAL 103 HB VAL 103 7.196 -1.690 -4.687 816 HG11 VAL 103 1HG1 VAL 103 10.012 -0.740 -5.251 817 HG12 VAL 103 2HG1 VAL 103 8.520 0.059 -5.749 818 HG13 VAL 103 3HG1 VAL 103 8.940 -1.517 -6.418 819 HG21 VAL 103 3HG2 VAL 103 8.729 -3.575 -5.018 820 HG22 VAL 103 1HG2 VAL 103 8.233 -3.448 -3.330 821 HG23 VAL 103 2HG2 VAL 103 9.834 -2.894 -3.823 822 H PHE 104 H PHE 104 9.155 1.591 -2.475 823 HA PHE 104 HA PHE 104 6.788 3.092 -3.184 824 HB2 PHE 104 2HB PHE 104 9.485 3.851 -2.068 825 HB3 PHE 104 3HB PHE 104 8.346 5.080 -2.609 826 HD1 PHE 104 HD1 PHE 104 7.514 1.903 -0.858 827 HD2 PHE 104 HD2 PHE 104 7.849 6.144 -0.576 828 HE1 PHE 104 HE1 PHE 104 6.421 1.841 1.342 829 HE2 PHE 104 HE2 PHE 104 6.749 6.081 1.625 830 HZ PHE 104 HZ PHE 104 6.035 3.930 2.587 831 H SER 105 H SER 105 6.641 4.665 -4.818 832 HA SER 105 HA SER 105 8.606 4.361 -7.007 833 HB2 SER 105 2HB SER 105 5.591 4.643 -7.227 834 HB3 SER 105 3HB SER 105 6.701 4.678 -8.596 835 HG SER 105 HG SER 105 5.596 2.582 -7.825 836 H GLY 106 H GLY 106 9.624 6.168 -7.491 837 HA2 GLY 106 2HA GLY 106 8.192 8.757 -7.205 838 HA3 GLY 106 3HA GLY 106 9.897 8.564 -6.815 839 H SER 107 H SER 107 7.989 9.879 -9.042 840 HA SER 107 HA SER 107 7.952 10.321 -11.264 841 HB2 SER 107 2HB SER 107 10.069 10.728 -12.398 842 HB3 SER 107 3HB SER 107 10.165 11.319 -10.744 843 HG SER 107 HG SER 107 11.532 9.720 -10.227 844 H ASN 108 H ASN 108 10.559 7.908 -11.470 845 HA ASN 108 HA ASN 108 10.683 5.821 -12.336 846 HB2 ASN 108 2HB ASN 108 8.736 5.383 -10.841 847 HB3 ASN 108 3HB ASN 108 7.658 5.779 -12.175 848 HD21 ASN 108 1HD2 ASN 108 6.734 3.755 -12.291 849 HD22 ASN 108 2HD2 ASN 108 7.601 2.357 -12.817 850 H LEU 109 H LEU 109 10.275 4.511 -14.262 851 HA LEU 109 HA LEU 109 10.188 6.089 -16.636 852 HB2 LEU 109 2HB LEU 109 10.225 3.097 -16.208 853 HB3 LEU 109 3HB LEU 109 10.316 3.850 -17.789 854 HG LEU 109 HG LEU 109 12.436 4.987 -17.056 855 HD11 LEU 109 1HD1 LEU 109 12.101 4.889 -14.637 856 HD12 LEU 109 2HD1 LEU 109 13.624 4.134 -15.105 857 HD13 LEU 109 3HD1 LEU 109 12.234 3.131 -14.682 858 HD21 LEU 109 3HD2 LEU 109 12.456 1.969 -16.949 859 HD22 LEU 109 1HD2 LEU 109 13.834 3.010 -17.314 860 HD23 LEU 109 2HD2 LEU 109 12.460 2.950 -18.416 861 H GLU 110 H GLU 110 7.920 3.851 -15.100 862 HA GLU 110 HA GLU 110 5.813 4.775 -16.961 863 HB2 GLU 110 2HB GLU 110 5.913 2.227 -15.321 864 HB3 GLU 110 3HB GLU 110 4.576 2.714 -16.352 865 HG2 GLU 110 2HG GLU 110 6.079 2.630 -18.306 866 HG3 GLU 110 3HG GLU 110 7.379 2.070 -17.256 867 H HIS 111 H HIS 111 4.059 5.836 -16.142 868 HA HIS 111 HA HIS 111 3.442 5.765 -13.315 869 HB2 HIS 111 2HB HIS 111 3.688 8.366 -13.223 870 HB3 HIS 111 3HB HIS 111 5.106 7.352 -12.987 871 HD1 HIS 111 HD1 HIS 111 7.069 8.197 -14.222 872 HD2 HIS 111 HD2 HIS 111 3.523 9.086 -16.202 873 HE1 HIS 111 HE1 HIS 111 7.745 9.458 -16.282 874 HE2 HIS 111 HE2 HIS 111 5.586 10.059 -17.414 875 H HIS 112 H HIS 112 1.443 6.605 -12.767 876 HA HIS 112 HA HIS 112 -0.510 6.665 -14.846 877 HB2 HIS 112 2HB HIS 112 -1.021 5.733 -12.643 878 HB3 HIS 112 3HB HIS 112 -0.742 7.293 -11.884 879 HD1 HIS 112 HD1 HIS 112 -3.298 5.302 -13.658 880 HD2 HIS 112 HD2 HIS 112 -2.833 9.210 -12.325 881 HE1 HIS 112 HE1 HIS 112 -5.588 6.319 -13.752 882 HE2 HIS 112 HE2 HIS 112 -5.271 8.709 -13.042 883 H HIS 113 H HIS 113 -0.321 8.421 -16.217 884 HA HIS 113 HA HIS 113 0.008 11.096 -15.319 885 HB2 HIS 113 2HB HIS 113 -0.646 11.750 -17.629 886 HB3 HIS 113 3HB HIS 113 0.634 10.548 -17.580 887 HD1 HIS 113 HD1 HIS 113 -2.628 11.227 -19.032 888 HD2 HIS 113 HD2 HIS 113 -0.312 7.866 -18.261 889 HE1 HIS 113 HE1 HIS 113 -3.586 9.406 -20.468 890 HE2 HIS 113 HE2 HIS 113 -2.044 7.450 -20.134 891 H HIS 114 H HIS 114 -1.592 12.858 -15.551 892 HA HIS 114 HA HIS 114 -4.099 11.931 -14.294 893 HB2 HIS 114 2HB HIS 114 -4.060 14.248 -13.222 894 HB3 HIS 114 3HB HIS 114 -2.817 13.116 -12.699 895 HD1 HIS 114 HD1 HIS 114 -0.547 14.088 -12.623 896 HD2 HIS 114 HD2 HIS 114 -2.946 16.045 -15.389 897 HE1 HIS 114 HE1 HIS 114 0.869 15.937 -13.550 898 HE2 HIS 114 HE2 HIS 114 -0.517 16.921 -15.399 899 H HIS 115 H HIS 115 -5.905 13.611 -14.346 900 HA HIS 115 HA HIS 115 -6.033 15.456 -16.547 901 HB2 HIS 115 2HB HIS 115 -7.720 14.396 -17.870 902 HB3 HIS 115 3HB HIS 115 -6.447 13.201 -17.637 903 HD1 HIS 115 HD1 HIS 115 -7.025 11.587 -15.372 904 HD2 HIS 115 HD2 HIS 115 -10.169 13.329 -17.459 905 HE1 HIS 115 HE1 HIS 115 -9.063 10.264 -14.750 906 HE2 HIS 115 HE2 HIS 115 -10.914 11.237 -16.138 907 H HIS 116 H HIS 116 -7.961 16.775 -16.491 908 HA HIS 116 HA HIS 116 -9.491 16.550 -13.975 909 HB2 HIS 116 2HB HIS 116 -8.845 18.921 -15.720 910 HB3 HIS 116 3HB HIS 116 -10.114 18.984 -14.500 911 HD1 HIS 116 HD1 HIS 116 -9.360 19.825 -12.316 912 HD2 HIS 116 HD2 HIS 116 -6.247 18.068 -14.433 913 HE1 HIS 116 HE1 HIS 116 -7.330 20.105 -10.873 914 HE2 HIS 116 HE2 HIS 116 -5.437 19.167 -12.234 Start of MODEL 5 1 H1 MET 1 1H MET 1 7.724 -33.314 0.011 2 H2 MET 1 2H MET 1 6.703 -34.366 0.853 3 H3 MET 1 3H MET 1 7.800 -33.397 1.698 4 HA MET 1 HA MET 1 5.604 -32.495 1.910 5 HB2 MET 1 2HB MET 1 7.410 -30.875 0.099 6 HB3 MET 1 3HB MET 1 6.053 -30.216 1.005 7 HG2 MET 1 2HG MET 1 8.176 -29.784 2.122 8 HG3 MET 1 3HG MET 1 7.129 -30.812 3.100 9 HE1 MET 1 3HE MET 1 10.754 -32.079 3.972 10 HE2 MET 1 1HE MET 1 9.234 -31.476 4.632 11 HE3 MET 1 2HE MET 1 10.245 -30.423 3.644 12 H ALA 2 H ALA 2 3.612 -32.047 1.061 13 HA ALA 2 HA ALA 2 3.132 -33.064 -1.642 14 HB1 ALA 2 3HB ALA 2 0.785 -33.162 -0.968 15 HB2 ALA 2 1HB ALA 2 1.187 -32.382 0.563 16 HB3 ALA 2 2HB ALA 2 1.819 -33.987 0.197 17 H ALA 3 H ALA 3 1.689 -31.970 -3.118 18 HA ALA 3 HA ALA 3 1.805 -29.027 -2.902 19 HB1 ALA 3 3HB ALA 3 3.034 -29.959 -4.798 20 HB2 ALA 3 1HB ALA 3 1.667 -28.987 -5.345 21 HB3 ALA 3 2HB ALA 3 1.566 -30.748 -5.372 22 H SER 4 H SER 4 -0.038 -27.865 -2.837 23 HA SER 4 HA SER 4 -2.548 -28.923 -3.847 24 HB2 SER 4 2HB SER 4 -2.514 -29.907 -1.606 25 HB3 SER 4 3HB SER 4 -2.211 -28.324 -0.891 26 HG SER 4 HG SER 4 -4.284 -28.027 -0.891 27 H THR 5 H THR 5 -1.321 -26.375 -1.652 28 HA THR 5 HA THR 5 -3.243 -24.467 -2.645 29 HB THR 5 HB THR 5 -0.911 -24.065 -0.750 30 HG1 THR 5 HG1 THR 5 -3.661 -24.679 -0.392 31 HG21 THR 5 3HG2 THR 5 -3.249 -22.251 -1.385 32 HG22 THR 5 1HG2 THR 5 -1.556 -21.947 -1.780 33 HG23 THR 5 2HG2 THR 5 -2.076 -21.988 -0.096 34 H VAL 6 H VAL 6 -2.975 -22.953 -4.179 35 HA VAL 6 HA VAL 6 -0.806 -22.940 -5.952 36 HB VAL 6 HB VAL 6 -2.952 -22.122 -6.673 37 HG11 VAL 6 1HG1 VAL 6 -3.790 -21.188 -4.599 38 HG12 VAL 6 2HG1 VAL 6 -3.877 -19.975 -5.876 39 HG13 VAL 6 3HG1 VAL 6 -2.596 -19.890 -4.667 40 HG21 VAL 6 3HG2 VAL 6 -0.939 -19.865 -6.679 41 HG22 VAL 6 1HG2 VAL 6 -2.302 -20.038 -7.783 42 HG23 VAL 6 2HG2 VAL 6 -0.985 -21.210 -7.819 43 H HIS 7 H HIS 7 1.176 -22.107 -5.808 44 HA HIS 7 HA HIS 7 1.892 -20.386 -3.595 45 HB2 HIS 7 2HB HIS 7 3.374 -22.229 -4.312 46 HB3 HIS 7 3HB HIS 7 3.602 -21.431 -5.865 47 HD1 HIS 7 HD1 HIS 7 5.075 -19.272 -5.885 48 HD2 HIS 7 HD2 HIS 7 4.844 -21.157 -2.190 49 HE1 HIS 7 HE1 HIS 7 6.884 -18.239 -4.484 50 HE2 HIS 7 HE2 HIS 7 6.829 -19.512 -2.319 51 H THR 8 H THR 8 0.995 -18.385 -3.929 52 HA THR 8 HA THR 8 2.410 -16.637 -5.740 53 HB THR 8 HB THR 8 -0.604 -16.888 -6.058 54 HG1 THR 8 HG1 THR 8 0.705 -18.480 -7.193 55 HG21 THR 8 3HG2 THR 8 -0.373 -15.153 -7.779 56 HG22 THR 8 1HG2 THR 8 1.348 -15.014 -7.415 57 HG23 THR 8 2HG2 THR 8 0.150 -14.552 -6.206 58 H SER 9 H SER 9 3.076 -15.349 -4.098 59 HA SER 9 HA SER 9 1.182 -14.396 -2.084 60 HB2 SER 9 2HB SER 9 4.158 -13.871 -2.357 61 HB3 SER 9 3HB SER 9 3.153 -13.447 -0.972 62 HG SER 9 HG SER 9 3.868 -15.339 -0.325 63 H PHE 10 H PHE 10 1.674 -11.916 -1.461 64 HA PHE 10 HA PHE 10 1.566 -10.353 -3.969 65 HB2 PHE 10 2HB PHE 10 -0.210 -9.955 -1.545 66 HB3 PHE 10 3HB PHE 10 -0.276 -9.040 -3.050 67 HD1 PHE 10 HD1 PHE 10 -1.004 -10.174 -5.156 68 HD2 PHE 10 HD2 PHE 10 -1.276 -12.084 -1.354 69 HE1 PHE 10 HE1 PHE 10 -2.552 -11.835 -6.101 70 HE2 PHE 10 HE2 PHE 10 -2.830 -13.741 -2.300 71 HZ PHE 10 HZ PHE 10 -3.462 -13.620 -4.672 72 H ILE 11 H ILE 11 2.226 -8.166 -3.863 73 HA ILE 11 HA ILE 11 3.832 -7.423 -1.493 74 HB ILE 11 HB ILE 11 4.668 -6.982 -4.373 75 HG12 ILE 11 2HG1 ILE 11 5.713 -8.963 -2.323 76 HG13 ILE 11 3HG1 ILE 11 4.844 -9.354 -3.803 77 HG21 ILE 11 1HG2 ILE 11 6.815 -6.268 -3.380 78 HG22 ILE 11 2HG2 ILE 11 6.105 -6.428 -1.774 79 HG23 ILE 11 3HG2 ILE 11 5.471 -5.231 -2.904 80 HD11 ILE 11 3HD1 ILE 11 7.213 -9.763 -4.060 81 HD12 ILE 11 1HD1 ILE 11 7.573 -8.089 -3.637 82 HD13 ILE 11 2HD1 ILE 11 6.698 -8.455 -5.124 83 H LEU 12 H LEU 12 3.605 -5.340 -0.808 84 HA LEU 12 HA LEU 12 1.656 -3.646 -2.123 85 HB2 LEU 12 2HB LEU 12 1.641 -3.848 0.309 86 HB3 LEU 12 3HB LEU 12 3.281 -3.230 0.392 87 HG LEU 12 HG LEU 12 2.416 -1.071 -0.607 88 HD11 LEU 12 1HD1 LEU 12 0.356 -1.881 -1.590 89 HD12 LEU 12 2HD1 LEU 12 0.002 -0.631 -0.397 90 HD13 LEU 12 3HD1 LEU 12 -0.259 -2.329 0.001 91 HD21 LEU 12 3HD2 LEU 12 2.912 -1.276 1.768 92 HD22 LEU 12 1HD2 LEU 12 1.295 -1.915 2.064 93 HD23 LEU 12 2HD2 LEU 12 1.500 -0.253 1.509 94 H LYS 13 H LYS 13 2.043 -1.928 -3.373 95 HA LYS 13 HA LYS 13 4.748 -0.750 -3.442 96 HB2 LYS 13 2HB LYS 13 2.697 -0.785 -5.670 97 HB3 LYS 13 3HB LYS 13 4.296 -0.053 -5.749 98 HG2 LYS 13 2HG LYS 13 5.284 -2.304 -5.386 99 HG3 LYS 13 3HG LYS 13 3.660 -2.986 -5.473 100 HD2 LYS 13 2HD LYS 13 5.141 -1.502 -7.648 101 HD3 LYS 13 3HD LYS 13 4.706 -3.213 -7.631 102 HE2 LYS 13 2HE LYS 13 2.286 -2.465 -7.534 103 HE3 LYS 13 3HE LYS 13 2.864 -0.833 -7.868 104 HZ1 LYS 13 3HZ LYS 13 3.906 -1.738 -9.910 105 HZ2 LYS 13 1HZ LYS 13 2.220 -1.858 -9.904 106 HZ3 LYS 13 2HZ LYS 13 3.160 -3.225 -9.597 107 H VAL 14 H VAL 14 4.934 1.480 -3.351 108 HA VAL 14 HA VAL 14 2.453 3.019 -2.894 109 HB VAL 14 HB VAL 14 5.046 3.308 -1.350 110 HG11 VAL 14 1HG1 VAL 14 3.970 5.471 -1.695 111 HG12 VAL 14 2HG1 VAL 14 3.835 4.976 -0.009 112 HG13 VAL 14 3HG1 VAL 14 2.445 4.826 -1.083 113 HG21 VAL 14 3HG2 VAL 14 3.782 2.539 0.583 114 HG22 VAL 14 1HG2 VAL 14 3.736 1.328 -0.697 115 HG23 VAL 14 2HG2 VAL 14 2.332 2.358 -0.407 116 H LEU 15 H LEU 15 2.246 4.620 -4.329 117 HA LEU 15 HA LEU 15 4.579 5.688 -5.737 118 HB2 LEU 15 2HB LEU 15 2.262 5.030 -6.766 119 HB3 LEU 15 3HB LEU 15 1.741 6.594 -6.178 120 HG LEU 15 HG LEU 15 3.993 6.129 -8.149 121 HD11 LEU 15 1HD1 LEU 15 1.816 5.598 -9.105 122 HD12 LEU 15 2HD1 LEU 15 2.475 7.072 -9.812 123 HD13 LEU 15 3HD1 LEU 15 1.198 7.173 -8.599 124 HD21 LEU 15 3HD2 LEU 15 4.385 8.142 -6.859 125 HD22 LEU 15 1HD2 LEU 15 2.739 8.696 -7.173 126 HD23 LEU 15 2HD2 LEU 15 3.897 8.566 -8.497 127 H TRP 16 H TRP 16 5.648 7.290 -4.745 128 HA TRP 16 HA TRP 16 4.259 8.968 -2.788 129 HB2 TRP 16 2HB TRP 16 6.468 7.744 -2.333 130 HB3 TRP 16 3HB TRP 16 7.226 8.949 -3.369 131 HD1 TRP 16 HD1 TRP 16 7.089 11.567 -2.443 132 HE1 TRP 16 HE1 TRP 16 7.089 12.436 -0.018 133 HE3 TRP 16 HE3 TRP 16 5.744 7.263 -0.029 134 HZ2 TRP 16 HZ2 TRP 16 6.581 11.434 2.578 135 HZ3 TRP 16 HZ3 TRP 16 5.525 7.303 2.423 136 HH2 TRP 16 HH2 TRP 16 5.935 9.346 3.696 137 H LEU 17 H LEU 17 3.344 10.770 -3.590 138 HA LEU 17 HA LEU 17 4.705 12.273 -5.728 139 HB2 LEU 17 2HB LEU 17 1.888 12.441 -4.644 140 HB3 LEU 17 3HB LEU 17 2.538 13.556 -5.833 141 HG LEU 17 HG LEU 17 2.213 10.574 -6.229 142 HD11 LEU 17 1HD1 LEU 17 0.631 12.874 -7.380 143 HD12 LEU 17 2HD1 LEU 17 0.064 11.737 -6.155 144 HD13 LEU 17 3HD1 LEU 17 0.432 11.168 -7.783 145 HD21 LEU 17 3HD2 LEU 17 2.769 11.051 -8.575 146 HD22 LEU 17 1HD2 LEU 17 4.103 11.451 -7.495 147 HD23 LEU 17 2HD2 LEU 17 3.088 12.735 -8.154 148 H ASP 18 H ASP 18 3.776 14.807 -5.336 149 HA ASP 18 HA ASP 18 5.506 15.785 -3.298 150 HB2 ASP 18 2HB ASP 18 3.410 17.329 -4.845 151 HB3 ASP 18 3HB ASP 18 4.842 17.982 -4.048 152 H GLN 19 H GLN 19 2.013 16.544 -3.661 153 HA GLN 19 HA GLN 19 1.832 16.718 -0.727 154 HB2 GLN 19 2HB GLN 19 -0.072 17.767 -2.835 155 HB3 GLN 19 3HB GLN 19 -0.215 18.025 -1.101 156 HG2 GLN 19 2HG GLN 19 1.942 19.237 -1.141 157 HG3 GLN 19 3HG GLN 19 1.991 19.033 -2.891 158 HE21 GLN 19 1HE2 GLN 19 1.962 21.239 -3.276 159 HE22 GLN 19 2HE2 GLN 19 0.560 22.215 -3.014 160 H ASN 20 H ASN 20 1.247 14.441 -3.036 161 HA ASN 20 HA ASN 20 -0.974 13.238 -1.500 162 HB2 ASN 20 2HB ASN 20 -0.659 13.202 -4.516 163 HB3 ASN 20 3HB ASN 20 -1.900 12.336 -3.610 164 HD21 ASN 20 1HD2 ASN 20 -0.837 15.430 -4.765 165 HD22 ASN 20 2HD2 ASN 20 -2.287 16.284 -4.378 166 H VAL 21 H VAL 21 -1.221 10.823 -2.095 167 HA VAL 21 HA VAL 21 1.204 9.463 -2.929 168 HB VAL 21 HB VAL 21 1.581 9.911 -0.504 169 HG11 VAL 21 1HG1 VAL 21 -0.838 8.148 -0.110 170 HG12 VAL 21 2HG1 VAL 21 -0.715 9.864 0.278 171 HG13 VAL 21 3HG1 VAL 21 0.254 8.690 1.166 172 HG21 VAL 21 3HG2 VAL 21 2.661 8.001 -1.545 173 HG22 VAL 21 1HG2 VAL 21 1.237 7.002 -1.255 174 HG23 VAL 21 2HG2 VAL 21 2.191 7.593 0.106 175 H ALA 22 H ALA 22 0.862 7.219 -3.415 176 HA ALA 22 HA ALA 22 -1.940 6.284 -3.307 177 HB1 ALA 22 3HB ALA 22 -0.152 6.101 -5.733 178 HB2 ALA 22 1HB ALA 22 -1.503 7.215 -5.536 179 HB3 ALA 22 2HB ALA 22 -1.798 5.478 -5.596 180 H ILE 23 H ILE 23 -2.225 3.977 -3.434 181 HA ILE 23 HA ILE 23 0.221 2.370 -2.995 182 HB ILE 23 HB ILE 23 -1.036 0.958 -1.379 183 HG12 ILE 23 2HG1 ILE 23 -3.113 3.165 -1.527 184 HG13 ILE 23 3HG1 ILE 23 -3.329 1.519 -2.108 185 HG21 ILE 23 1HG2 ILE 23 0.494 2.690 -0.583 186 HG22 ILE 23 2HG2 ILE 23 -0.872 2.497 0.515 187 HG23 ILE 23 3HG2 ILE 23 -0.823 3.869 -0.592 188 HD11 ILE 23 3HD1 ILE 23 -4.432 1.848 0.021 189 HD12 ILE 23 1HD1 ILE 23 -2.910 2.353 0.756 190 HD13 ILE 23 2HD1 ILE 23 -3.108 0.695 0.185 191 H ALA 24 H ALA 24 0.145 0.178 -3.676 192 HA ALA 24 HA ALA 24 -2.190 -0.850 -5.073 193 HB1 ALA 24 3HB ALA 24 -1.121 0.515 -6.811 194 HB2 ALA 24 1HB ALA 24 -1.027 -1.202 -7.202 195 HB3 ALA 24 2HB ALA 24 0.391 -0.360 -6.575 196 H VAL 25 H VAL 25 -1.572 -3.112 -6.088 197 HA VAL 25 HA VAL 25 0.481 -4.453 -4.452 198 HB VAL 25 HB VAL 25 -2.405 -5.333 -4.694 199 HG11 VAL 25 1HG1 VAL 25 -0.069 -6.856 -3.527 200 HG12 VAL 25 2HG1 VAL 25 -0.975 -7.286 -4.979 201 HG13 VAL 25 3HG1 VAL 25 -1.763 -7.327 -3.402 202 HG21 VAL 25 3HG2 VAL 25 -2.377 -5.240 -2.245 203 HG22 VAL 25 1HG2 VAL 25 -1.976 -3.674 -2.947 204 HG23 VAL 25 2HG2 VAL 25 -0.701 -4.693 -2.279 205 H ASP 26 H ASP 26 1.710 -5.841 -5.548 206 HA ASP 26 HA ASP 26 0.806 -6.846 -8.174 207 HB2 ASP 26 2HB ASP 26 3.564 -6.360 -7.043 208 HB3 ASP 26 3HB ASP 26 3.313 -7.392 -8.447 209 H GLN 27 H GLN 27 0.825 -9.035 -8.615 210 HA GLN 27 HA GLN 27 1.064 -10.831 -6.317 211 HB2 GLN 27 2HB GLN 27 0.008 -12.507 -7.786 212 HB3 GLN 27 3HB GLN 27 -0.943 -11.032 -7.687 213 HG2 GLN 27 2HG GLN 27 -0.062 -10.319 -9.862 214 HG3 GLN 27 3HG GLN 27 0.874 -11.810 -9.965 215 HE21 GLN 27 1HE2 GLN 27 -0.217 -13.764 -10.329 216 HE22 GLN 27 2HE2 GLN 27 -1.831 -13.801 -10.939 217 H ILE 28 H ILE 28 2.592 -12.420 -6.115 218 HA ILE 28 HA ILE 28 4.909 -12.285 -7.841 219 HB ILE 28 HB ILE 28 4.413 -14.060 -5.435 220 HG12 ILE 28 2HG1 ILE 28 5.884 -11.416 -5.705 221 HG13 ILE 28 3HG1 ILE 28 4.375 -11.688 -4.840 222 HG21 ILE 28 1HG2 ILE 28 6.835 -14.410 -5.435 223 HG22 ILE 28 2HG2 ILE 28 6.988 -13.428 -6.893 224 HG23 ILE 28 3HG2 ILE 28 6.121 -14.963 -6.950 225 HD11 ILE 28 3HD1 ILE 28 5.558 -13.130 -3.253 226 HD12 ILE 28 1HD1 ILE 28 6.236 -11.503 -3.311 227 HD13 ILE 28 2HD1 ILE 28 7.067 -12.831 -4.120 228 H VAL 29 H VAL 29 4.389 -13.151 -9.782 229 HA VAL 29 HA VAL 29 3.091 -15.729 -10.042 230 HB VAL 29 HB VAL 29 4.363 -14.070 -12.234 231 HG11 VAL 29 1HG1 VAL 29 3.820 -16.349 -12.896 232 HG12 VAL 29 2HG1 VAL 29 2.736 -15.205 -13.689 233 HG13 VAL 29 3HG1 VAL 29 2.170 -16.144 -12.308 234 HG21 VAL 29 3HG2 VAL 29 1.521 -13.903 -11.209 235 HG22 VAL 29 1HG2 VAL 29 2.178 -13.033 -12.596 236 HG23 VAL 29 2HG2 VAL 29 2.773 -12.682 -10.974 237 H GLY 30 H GLY 30 4.116 -17.484 -11.367 238 HA2 GLY 30 2HA GLY 30 6.532 -18.378 -10.353 239 HA3 GLY 30 3HA GLY 30 5.819 -18.951 -11.848 240 H LYS 31 H LYS 31 6.088 -16.098 -12.944 241 HA LYS 31 HA LYS 31 8.874 -16.402 -13.826 242 HB2 LYS 31 2HB LYS 31 6.647 -14.698 -14.967 243 HB3 LYS 31 3HB LYS 31 8.247 -14.891 -15.668 244 HG2 LYS 31 2HG LYS 31 6.221 -17.094 -15.308 245 HG3 LYS 31 3HG LYS 31 6.567 -16.251 -16.818 246 HD2 LYS 31 2HD LYS 31 8.582 -17.857 -15.236 247 HD3 LYS 31 3HD LYS 31 7.697 -18.458 -16.639 248 HE2 LYS 31 2HE LYS 31 9.574 -16.092 -16.629 249 HE3 LYS 31 3HE LYS 31 9.973 -17.704 -17.211 250 HZ1 LYS 31 3HZ LYS 31 8.234 -17.482 -18.882 251 HZ2 LYS 31 1HZ LYS 31 9.393 -16.262 -19.032 252 HZ3 LYS 31 2HZ LYS 31 7.891 -15.916 -18.341 253 H GLY 32 H GLY 32 7.376 -14.727 -11.444 254 HA2 GLY 32 2HA GLY 32 9.120 -13.118 -10.395 255 HA3 GLY 32 3HA GLY 32 8.820 -12.187 -11.856 256 H THR 33 H THR 33 7.551 -10.469 -11.371 257 HA THR 33 HA THR 33 5.157 -10.972 -9.699 258 HB THR 33 HB THR 33 5.184 -8.677 -8.916 259 HG1 THR 33 HG1 THR 33 7.713 -8.098 -9.965 260 HG21 THR 33 3HG2 THR 33 7.915 -9.938 -8.586 261 HG22 THR 33 1HG2 THR 33 6.487 -10.284 -7.604 262 HG23 THR 33 2HG2 THR 33 7.229 -8.685 -7.552 263 H SER 34 H SER 34 3.299 -9.579 -10.198 264 HA SER 34 HA SER 34 3.274 -8.201 -12.760 265 HB2 SER 34 2HB SER 34 1.575 -10.659 -12.252 266 HB3 SER 34 3HB SER 34 1.213 -9.487 -13.516 267 HG SER 34 HG SER 34 3.807 -10.500 -13.429 268 HA PRO 35 HA PRO 35 0.732 -5.428 -10.383 269 HB2 PRO 35 2HB PRO 35 -0.482 -4.828 -13.049 270 HB3 PRO 35 3HB PRO 35 0.177 -3.724 -11.835 271 HG2 PRO 35 2HG PRO 35 1.567 -4.281 -14.031 272 HG3 PRO 35 3HG PRO 35 2.382 -4.142 -12.460 273 HD2 PRO 35 2HD PRO 35 1.664 -6.600 -14.017 274 HD3 PRO 35 3HD PRO 35 3.113 -6.264 -13.044 275 H LEU 36 H LEU 36 -0.843 -6.253 -9.158 276 HA LEU 36 HA LEU 36 -3.048 -7.753 -10.373 277 HB2 LEU 36 2HB LEU 36 -1.932 -8.707 -8.406 278 HB3 LEU 36 3HB LEU 36 -2.333 -7.278 -7.471 279 HG LEU 36 HG LEU 36 -4.760 -7.826 -7.786 280 HD11 LEU 36 1HD1 LEU 36 -3.669 -10.400 -8.925 281 HD12 LEU 36 2HD1 LEU 36 -4.587 -9.174 -9.801 282 HD13 LEU 36 3HD1 LEU 36 -5.355 -10.092 -8.506 283 HD21 LEU 36 3HD2 LEU 36 -3.063 -9.927 -6.437 284 HD22 LEU 36 1HD2 LEU 36 -4.783 -9.653 -6.147 285 HD23 LEU 36 2HD2 LEU 36 -3.608 -8.406 -5.727 286 H THR 37 H THR 37 -2.519 -4.896 -8.316 287 HA THR 37 HA THR 37 -5.208 -3.924 -9.098 288 HB THR 37 HB THR 37 -5.400 -2.736 -6.984 289 HG1 THR 37 HG1 THR 37 -3.746 -2.476 -5.677 290 HG21 THR 37 3HG2 THR 37 -5.594 -4.627 -5.429 291 HG22 THR 37 1HG2 THR 37 -4.634 -5.627 -6.523 292 HG23 THR 37 2HG2 THR 37 -6.222 -5.044 -7.023 293 H SER 38 H SER 38 -5.397 -1.503 -8.993 294 HA SER 38 HA SER 38 -2.984 -0.257 -10.114 295 HB2 SER 38 2HB SER 38 -5.059 0.010 -11.397 296 HB3 SER 38 3HB SER 38 -5.839 0.764 -10.009 297 HG SER 38 HG SER 38 -4.178 1.856 -11.867 298 H TYR 39 H TYR 39 -2.784 2.192 -9.528 299 HA TYR 39 HA TYR 39 -2.267 2.265 -6.694 300 HB2 TYR 39 2HB TYR 39 -1.687 4.150 -8.965 301 HB3 TYR 39 3HB TYR 39 -1.428 4.638 -7.295 302 HD1 TYR 39 HD2 TYR 39 0.286 3.525 -5.919 303 HD2 TYR 39 HD1 TYR 39 -0.199 2.552 -10.036 304 HE1 TYR 39 HE2 TYR 39 2.492 2.442 -5.916 305 HE2 TYR 39 HE1 TYR 39 2.007 1.466 -10.039 306 HH TYR 39 HH TYR 39 4.017 1.381 -8.862 307 H PHE 40 H PHE 40 -3.714 2.830 -5.227 308 HA PHE 40 HA PHE 40 -5.909 4.656 -5.908 309 HB2 PHE 40 2HB PHE 40 -5.479 3.089 -3.347 310 HB3 PHE 40 3HB PHE 40 -6.959 3.897 -3.860 311 HD1 PHE 40 HD1 PHE 40 -8.004 3.069 -6.096 312 HD2 PHE 40 HD2 PHE 40 -5.181 0.832 -3.814 313 HE1 PHE 40 HE1 PHE 40 -8.741 1.003 -7.210 314 HE2 PHE 40 HE2 PHE 40 -5.918 -1.234 -4.926 315 HZ PHE 40 HZ PHE 40 -7.695 -1.146 -6.628 316 H PHE 41 H PHE 41 -5.736 6.764 -5.441 317 HA PHE 41 HA PHE 41 -3.578 7.697 -3.711 318 HB2 PHE 41 2HB PHE 41 -5.515 9.238 -5.459 319 HB3 PHE 41 3HB PHE 41 -4.156 9.938 -4.590 320 HD1 PHE 41 HD1 PHE 41 -5.013 7.472 -7.242 321 HD2 PHE 41 HD2 PHE 41 -2.036 10.032 -5.581 322 HE1 PHE 41 HE1 PHE 41 -3.564 7.044 -9.182 323 HE2 PHE 41 HE2 PHE 41 -0.587 9.605 -7.523 324 HZ PHE 41 HZ PHE 41 -1.348 8.111 -9.326 325 H TRP 42 H TRP 42 -3.823 8.786 -1.796 326 HA TRP 42 HA TRP 42 -6.518 9.629 -0.984 327 HB2 TRP 42 2HB TRP 42 -6.569 8.474 1.012 328 HB3 TRP 42 3HB TRP 42 -5.683 7.318 0.029 329 HD1 TRP 42 HD1 TRP 42 -2.881 7.416 0.386 330 HE1 TRP 42 HE1 TRP 42 -1.586 7.802 2.578 331 HE3 TRP 42 HE3 TRP 42 -6.605 9.546 3.180 332 HZ2 TRP 42 HZ2 TRP 42 -2.079 8.860 5.152 333 HZ3 TRP 42 HZ3 TRP 42 -6.109 10.213 5.496 334 HH2 TRP 42 HH2 TRP 42 -3.893 9.875 6.459 335 HA PRO 43 HA PRO 43 -7.124 10.423 1.364 336 HB2 PRO 43 2HB PRO 43 -8.118 12.831 2.046 337 HB3 PRO 43 3HB PRO 43 -6.870 12.028 3.006 338 HG2 PRO 43 2HG PRO 43 -6.569 14.199 0.955 339 HG3 PRO 43 3HG PRO 43 -5.829 14.073 2.562 340 HD2 PRO 43 2HD PRO 43 -4.517 13.398 0.274 341 HD3 PRO 43 3HD PRO 43 -4.197 12.616 1.835 342 H ARG 44 H ARG 44 -6.446 11.769 -1.543 343 HA ARG 44 HA ARG 44 -8.678 12.871 -2.660 344 HB2 ARG 44 2HB ARG 44 -6.925 10.696 -3.834 345 HB3 ARG 44 3HB ARG 44 -8.067 11.655 -4.768 346 HG2 ARG 44 2HG ARG 44 -5.733 12.787 -3.224 347 HG3 ARG 44 3HG ARG 44 -5.733 12.447 -4.956 348 HD2 ARG 44 2HD ARG 44 -7.596 14.364 -3.545 349 HD3 ARG 44 3HD ARG 44 -6.169 14.823 -4.475 350 HE ARG 44 HE ARG 44 -7.444 13.549 -6.348 351 HH11 ARG 44 1HH1 ARG 44 -8.869 15.576 -3.953 352 HH12 ARG 44 2HH1 ARG 44 -10.162 16.066 -4.989 353 HH21 ARG 44 1HH2 ARG 44 -9.106 14.176 -7.649 354 HH22 ARG 44 2HH2 ARG 44 -10.304 15.272 -7.047 355 H ALA 45 H ALA 45 -8.177 9.388 -2.108 356 HA ALA 45 HA ALA 45 -11.084 9.050 -1.886 357 HB1 ALA 45 3HB ALA 45 -11.057 7.026 -3.251 358 HB2 ALA 45 1HB ALA 45 -9.337 7.252 -3.580 359 HB3 ALA 45 2HB ALA 45 -10.515 8.414 -4.192 360 H ASP 46 H ASP 46 -11.570 6.766 -0.976 361 HA ASP 46 HA ASP 46 -9.914 6.297 1.321 362 HB2 ASP 46 2HB ASP 46 -12.306 4.783 0.244 363 HB3 ASP 46 3HB ASP 46 -11.517 4.429 1.782 364 H ALA 47 H ALA 47 -7.902 5.792 0.401 365 HA ALA 47 HA ALA 47 -7.375 3.935 -1.591 366 HB1 ALA 47 3HB ALA 47 -5.755 5.588 -0.825 367 HB2 ALA 47 1HB ALA 47 -5.062 3.967 -0.811 368 HB3 ALA 47 2HB ALA 47 -5.574 4.720 0.701 369 H TRP 48 H TRP 48 -7.224 3.371 1.945 370 HA TRP 48 HA TRP 48 -6.403 0.679 1.748 371 HB2 TRP 48 2HB TRP 48 -6.212 2.119 3.791 372 HB3 TRP 48 3HB TRP 48 -7.948 1.953 4.021 373 HD1 TRP 48 HD1 TRP 48 -4.771 -0.260 3.938 374 HE1 TRP 48 HE1 TRP 48 -5.172 -2.288 5.463 375 HE3 TRP 48 HE3 TRP 48 -9.657 0.610 5.190 376 HZ2 TRP 48 HZ2 TRP 48 -7.271 -3.384 6.991 377 HZ3 TRP 48 HZ3 TRP 48 -10.786 -0.982 6.695 378 HH2 TRP 48 HH2 TRP 48 -9.618 -2.935 7.576 379 H GLN 49 H GLN 49 -9.644 2.091 2.235 380 HA GLN 49 HA GLN 49 -11.140 -0.261 2.299 381 HB2 GLN 49 2HB GLN 49 -12.167 1.838 2.870 382 HB3 GLN 49 3HB GLN 49 -11.853 2.492 1.270 383 HG2 GLN 49 2HG GLN 49 -14.200 1.917 1.547 384 HG3 GLN 49 3HG GLN 49 -13.447 0.942 0.290 385 HE21 GLN 49 1HE2 GLN 49 -13.044 0.359 3.730 386 HE22 GLN 49 2HE2 GLN 49 -13.922 -1.129 3.758 387 H GLN 50 H GLN 50 -10.276 1.721 -0.559 388 HA GLN 50 HA GLN 50 -11.557 0.073 -2.464 389 HB2 GLN 50 2HB GLN 50 -9.226 1.977 -2.782 390 HB3 GLN 50 3HB GLN 50 -10.080 1.226 -4.127 391 HG2 GLN 50 2HG GLN 50 -12.137 2.340 -3.484 392 HG3 GLN 50 3HG GLN 50 -11.347 3.037 -2.071 393 HE21 GLN 50 1HE2 GLN 50 -8.862 3.593 -3.520 394 HE22 GLN 50 2HE2 GLN 50 -9.201 4.953 -4.529 395 H LEU 51 H LEU 51 -8.276 0.005 -1.139 396 HA LEU 51 HA LEU 51 -7.207 -1.919 -2.911 397 HB2 LEU 51 2HB LEU 51 -5.819 -0.486 -1.488 398 HB3 LEU 51 3HB LEU 51 -6.431 -1.295 -0.058 399 HG LEU 51 HG LEU 51 -5.370 -3.400 -0.795 400 HD11 LEU 51 1HD1 LEU 51 -4.304 -1.729 -3.071 401 HD12 LEU 51 2HD1 LEU 51 -5.425 -3.089 -3.190 402 HD13 LEU 51 3HD1 LEU 51 -3.765 -3.358 -2.662 403 HD21 LEU 51 3HD2 LEU 51 -3.046 -2.736 -0.395 404 HD22 LEU 51 1HD2 LEU 51 -4.149 -1.911 0.704 405 HD23 LEU 51 2HD2 LEU 51 -3.476 -1.048 -0.679 406 H LYS 52 H LYS 52 -8.486 -2.345 0.420 407 HA LYS 52 HA LYS 52 -8.249 -5.140 0.474 408 HB2 LYS 52 2HB LYS 52 -9.797 -5.113 2.356 409 HB3 LYS 52 3HB LYS 52 -8.627 -3.810 2.502 410 HG2 LYS 52 2HG LYS 52 -10.325 -2.228 1.649 411 HG3 LYS 52 3HG LYS 52 -11.493 -3.548 1.596 412 HD2 LYS 52 2HD LYS 52 -10.070 -2.590 4.085 413 HD3 LYS 52 3HD LYS 52 -11.711 -2.140 3.623 414 HE2 LYS 52 2HE LYS 52 -10.788 -4.973 4.127 415 HE3 LYS 52 3HE LYS 52 -11.602 -3.963 5.319 416 HZ1 LYS 52 3HZ LYS 52 -12.721 -4.885 2.724 417 HZ2 LYS 52 1HZ LYS 52 -13.497 -3.818 3.781 418 HZ3 LYS 52 2HZ LYS 52 -13.176 -5.403 4.264 419 H ASP 53 H ASP 53 -10.941 -3.085 -0.594 420 HA ASP 53 HA ASP 53 -12.839 -5.053 -1.128 421 HB2 ASP 53 2HB ASP 53 -13.394 -2.697 -1.196 422 HB3 ASP 53 3HB ASP 53 -12.300 -2.437 -2.553 423 H GLU 54 H GLU 54 -10.300 -3.770 -3.273 424 HA GLU 54 HA GLU 54 -10.862 -5.348 -5.516 425 HB2 GLU 54 2HB GLU 54 -8.402 -3.954 -4.520 426 HB3 GLU 54 3HB GLU 54 -8.291 -5.005 -5.926 427 HG2 GLU 54 2HG GLU 54 -10.172 -2.661 -5.676 428 HG3 GLU 54 3HG GLU 54 -8.614 -2.632 -6.503 429 H LEU 55 H LEU 55 -9.066 -6.139 -2.598 430 HA LEU 55 HA LEU 55 -8.036 -8.610 -3.731 431 HB2 LEU 55 2HB LEU 55 -7.860 -7.496 -0.930 432 HB3 LEU 55 3HB LEU 55 -7.039 -8.943 -1.490 433 HG LEU 55 HG LEU 55 -6.559 -6.122 -2.484 434 HD11 LEU 55 1HD1 LEU 55 -5.640 -6.526 -0.267 435 HD12 LEU 55 2HD1 LEU 55 -4.357 -6.373 -1.466 436 HD13 LEU 55 3HD1 LEU 55 -4.808 -7.967 -0.858 437 HD21 LEU 55 3HD2 LEU 55 -4.758 -7.070 -3.829 438 HD22 LEU 55 1HD2 LEU 55 -6.313 -7.759 -4.295 439 HD23 LEU 55 2HD2 LEU 55 -5.194 -8.696 -3.300 440 H GLU 56 H GLU 56 -10.665 -7.647 -1.602 441 HA GLU 56 HA GLU 56 -11.343 -10.329 -0.817 442 HB2 GLU 56 2HB GLU 56 -12.979 -7.780 -0.681 443 HB3 GLU 56 3HB GLU 56 -13.421 -9.309 0.073 444 HG2 GLU 56 2HG GLU 56 -11.338 -9.193 1.415 445 HG3 GLU 56 3HG GLU 56 -11.022 -7.604 0.722 446 H ALA 57 H ALA 57 -12.273 -8.170 -3.423 447 HA ALA 57 HA ALA 57 -14.432 -9.666 -4.467 448 HB1 ALA 57 3HB ALA 57 -14.025 -8.435 -6.549 449 HB2 ALA 57 1HB ALA 57 -12.470 -7.887 -5.924 450 HB3 ALA 57 2HB ALA 57 -13.966 -7.362 -5.149 451 H LYS 58 H LYS 58 -10.958 -9.726 -5.175 452 HA LYS 58 HA LYS 58 -11.116 -11.960 -6.983 453 HB2 LYS 58 2HB LYS 58 -8.714 -10.769 -5.569 454 HB3 LYS 58 3HB LYS 58 -8.663 -11.870 -6.939 455 HG2 LYS 58 2HG LYS 58 -9.508 -10.231 -8.418 456 HG3 LYS 58 3HG LYS 58 -9.998 -9.175 -7.089 457 HD2 LYS 58 2HD LYS 58 -7.612 -8.877 -6.491 458 HD3 LYS 58 3HD LYS 58 -7.155 -9.865 -7.880 459 HE2 LYS 58 2HE LYS 58 -6.968 -7.442 -8.328 460 HE3 LYS 58 3HE LYS 58 -8.120 -8.241 -9.395 461 HZ1 LYS 58 3HZ LYS 58 -9.928 -7.375 -8.138 462 HZ2 LYS 58 1HZ LYS 58 -8.901 -6.078 -8.488 463 HZ3 LYS 58 2HZ LYS 58 -8.905 -6.769 -6.942 464 H HIS 59 H HIS 59 -12.000 -13.737 -5.957 465 HA HIS 59 HA HIS 59 -11.621 -14.302 -3.210 466 HB2 HIS 59 2HB HIS 59 -12.835 -15.941 -5.431 467 HB3 HIS 59 3HB HIS 59 -12.858 -16.426 -3.738 468 HD1 HIS 59 HD1 HIS 59 -14.653 -14.361 -6.189 469 HD2 HIS 59 HD2 HIS 59 -14.374 -14.629 -2.049 470 HE1 HIS 59 HE1 HIS 59 -16.646 -13.120 -5.296 471 HE2 HIS 59 HE2 HIS 59 -16.375 -13.172 -2.797 472 H TRP 60 H TRP 60 -9.387 -14.853 -5.623 473 HA TRP 60 HA TRP 60 -8.430 -17.376 -4.507 474 HB2 TRP 60 2HB TRP 60 -6.775 -17.387 -6.276 475 HB3 TRP 60 3HB TRP 60 -8.367 -17.067 -6.948 476 HD1 TRP 60 HD1 TRP 60 -8.831 -14.376 -7.594 477 HE1 TRP 60 HE1 TRP 60 -7.181 -12.674 -8.586 478 HE3 TRP 60 HE3 TRP 60 -4.441 -16.681 -6.350 479 HZ2 TRP 60 HZ2 TRP 60 -4.388 -12.345 -8.805 480 HZ3 TRP 60 HZ3 TRP 60 -2.324 -15.605 -6.991 481 HH2 TRP 60 HH2 TRP 60 -2.298 -13.483 -8.192 482 H ILE 61 H ILE 61 -8.124 -14.216 -3.613 483 HA ILE 61 HA ILE 61 -5.341 -14.253 -2.813 484 HB ILE 61 HB ILE 61 -7.605 -12.319 -2.325 485 HG12 ILE 61 2HG1 ILE 61 -6.143 -10.741 -3.500 486 HG13 ILE 61 3HG1 ILE 61 -4.870 -11.950 -3.589 487 HG21 ILE 61 1HG2 ILE 61 -6.392 -12.413 -0.218 488 HG22 ILE 61 2HG2 ILE 61 -6.071 -10.889 -1.043 489 HG23 ILE 61 3HG2 ILE 61 -4.861 -12.172 -1.065 490 HD11 ILE 61 3HD1 ILE 61 -6.032 -11.673 -5.706 491 HD12 ILE 61 1HD1 ILE 61 -7.552 -12.124 -4.937 492 HD13 ILE 61 2HD1 ILE 61 -6.244 -13.301 -5.063 493 H ALA 62 H ALA 62 -4.568 -15.241 -1.069 494 HA ALA 62 HA ALA 62 -6.208 -16.526 0.866 495 HB1 ALA 62 3HB ALA 62 -4.020 -17.415 0.242 496 HB2 ALA 62 1HB ALA 62 -4.102 -17.116 1.978 497 HB3 ALA 62 2HB ALA 62 -3.236 -15.993 0.929 498 H GLU 63 H GLU 63 -6.705 -15.985 2.980 499 HA GLU 63 HA GLU 63 -7.005 -13.251 3.541 500 HB2 GLU 63 2HB GLU 63 -8.524 -14.927 4.429 501 HB3 GLU 63 3HB GLU 63 -7.232 -15.611 5.409 502 HG2 GLU 63 2HG GLU 63 -7.139 -13.691 6.799 503 HG3 GLU 63 3HG GLU 63 -8.161 -12.762 5.703 504 H ALA 64 H ALA 64 -4.672 -15.591 4.847 505 HA ALA 64 HA ALA 64 -3.504 -14.057 6.832 506 HB1 ALA 64 3HB ALA 64 -1.532 -15.473 6.586 507 HB2 ALA 64 1HB ALA 64 -2.112 -16.024 5.012 508 HB3 ALA 64 2HB ALA 64 -3.010 -16.428 6.476 509 H ASP 65 H ASP 65 -2.693 -14.098 3.354 510 HA ASP 65 HA ASP 65 -0.555 -12.195 3.755 511 HB2 ASP 65 2HB ASP 65 -0.556 -14.102 2.047 512 HB3 ASP 65 3HB ASP 65 -1.614 -13.081 1.075 513 H ARG 66 H ARG 66 -3.917 -12.058 2.601 514 HA ARG 66 HA ARG 66 -3.780 -9.407 1.588 515 HB2 ARG 66 2HB ARG 66 -6.145 -9.348 1.581 516 HB3 ARG 66 3HB ARG 66 -5.728 -11.022 1.260 517 HG2 ARG 66 2HG ARG 66 -6.259 -11.631 3.541 518 HG3 ARG 66 3HG ARG 66 -6.569 -9.946 3.948 519 HD2 ARG 66 2HD ARG 66 -8.462 -9.887 2.433 520 HD3 ARG 66 3HD ARG 66 -8.116 -11.529 1.890 521 HE ARG 66 HE ARG 66 -8.541 -12.103 4.356 522 HH11 ARG 66 1HH1 ARG 66 -10.173 -9.616 2.635 523 HH12 ARG 66 2HH1 ARG 66 -11.603 -9.723 3.598 524 HH21 ARG 66 1HH2 ARG 66 -10.409 -12.287 5.561 525 HH22 ARG 66 2HH2 ARG 66 -11.737 -11.232 5.222 526 H ILE 67 H ILE 67 -4.392 -10.684 4.835 527 HA ILE 67 HA ILE 67 -4.795 -8.179 6.108 528 HB ILE 67 HB ILE 67 -3.751 -10.789 7.244 529 HG12 ILE 67 2HG1 ILE 67 -6.012 -10.980 6.338 530 HG13 ILE 67 3HG1 ILE 67 -6.059 -11.055 8.094 531 HG21 ILE 67 1HG2 ILE 67 -4.737 -8.336 8.706 532 HG22 ILE 67 2HG2 ILE 67 -3.081 -8.943 8.679 533 HG23 ILE 67 3HG2 ILE 67 -4.353 -9.890 9.449 534 HD11 ILE 67 3HD1 ILE 67 -6.800 -8.736 8.181 535 HD12 ILE 67 1HD1 ILE 67 -7.882 -9.726 7.204 536 HD13 ILE 67 2HD1 ILE 67 -6.733 -8.644 6.420 537 H ASN 68 H ASN 68 -1.906 -10.137 5.498 538 HA ASN 68 HA ASN 68 0.049 -8.631 6.755 539 HB2 ASN 68 2HB ASN 68 0.567 -10.753 5.720 540 HB3 ASN 68 3HB ASN 68 0.152 -10.130 4.128 541 HD21 ASN 68 1HD2 ASN 68 2.084 -10.438 3.172 542 HD22 ASN 68 2HD2 ASN 68 3.531 -9.605 3.630 543 H VAL 69 H VAL 69 -0.928 -8.299 3.312 544 HA VAL 69 HA VAL 69 0.591 -5.967 2.850 545 HB VAL 69 HB VAL 69 -0.686 -5.683 0.776 546 HG11 VAL 69 1HG1 VAL 69 1.162 -7.264 0.818 547 HG12 VAL 69 2HG1 VAL 69 -0.112 -7.838 -0.259 548 HG13 VAL 69 3HG1 VAL 69 0.079 -8.553 1.343 549 HG21 VAL 69 3HG2 VAL 69 -2.482 -7.259 0.182 550 HG22 VAL 69 1HG2 VAL 69 -2.915 -6.266 1.573 551 HG23 VAL 69 2HG2 VAL 69 -2.415 -7.940 1.807 552 H LEU 70 H LEU 70 -2.772 -6.365 3.922 553 HA LEU 70 HA LEU 70 -3.472 -3.619 3.734 554 HB2 LEU 70 2HB LEU 70 -4.602 -5.863 5.401 555 HB3 LEU 70 3HB LEU 70 -5.265 -4.238 5.427 556 HG LEU 70 HG LEU 70 -5.126 -6.046 3.005 557 HD11 LEU 70 1HD1 LEU 70 -6.800 -6.787 4.609 558 HD12 LEU 70 2HD1 LEU 70 -7.572 -6.097 3.183 559 HD13 LEU 70 3HD1 LEU 70 -7.483 -5.162 4.676 560 HD21 LEU 70 3HD2 LEU 70 -4.877 -3.710 2.369 561 HD22 LEU 70 1HD2 LEU 70 -6.306 -3.282 3.309 562 HD23 LEU 70 2HD2 LEU 70 -6.461 -4.314 1.887 563 H ASN 71 H ASN 71 -1.918 -5.503 6.292 564 HA ASN 71 HA ASN 71 -2.023 -3.467 8.279 565 HB2 ASN 71 2HB ASN 71 -0.254 -5.889 7.938 566 HB3 ASN 71 3HB ASN 71 -0.069 -4.780 9.296 567 HD21 ASN 71 1HD2 ASN 71 -0.803 -7.577 9.341 568 HD22 ASN 71 2HD2 ASN 71 -2.354 -7.658 10.095 569 H GLN 72 H GLN 72 0.654 -4.489 6.127 570 HA GLN 72 HA GLN 72 2.393 -2.393 6.854 571 HB2 GLN 72 2HB GLN 72 3.661 -2.954 4.827 572 HB3 GLN 72 3HB GLN 72 3.207 -4.391 5.729 573 HG2 GLN 72 2HG GLN 72 1.279 -4.657 4.128 574 HG3 GLN 72 3HG GLN 72 2.002 -3.370 3.166 575 HE21 GLN 72 1HE2 GLN 72 3.829 -5.817 4.902 576 HE22 GLN 72 2HE2 GLN 72 4.440 -6.615 3.503 577 H ALA 73 H ALA 73 -0.200 -2.545 4.468 578 HA ALA 73 HA ALA 73 0.267 -0.046 3.226 579 HB1 ALA 73 3HB ALA 73 -2.380 -1.442 3.654 580 HB2 ALA 73 1HB ALA 73 -1.276 -1.728 2.309 581 HB3 ALA 73 2HB ALA 73 -2.052 -0.155 2.492 582 H THR 74 H THR 74 -1.905 -0.913 5.938 583 HA THR 74 HA THR 74 -2.831 1.620 6.607 584 HB THR 74 HB THR 74 -2.182 -0.642 8.528 585 HG1 THR 74 HG1 THR 74 -3.744 -1.450 7.265 586 HG21 THR 74 3HG2 THR 74 -3.825 0.412 10.021 587 HG22 THR 74 1HG2 THR 74 -3.998 1.754 8.888 588 HG23 THR 74 2HG2 THR 74 -2.461 1.485 9.711 589 H GLU 75 H GLU 75 0.154 0.003 7.666 590 HA GLU 75 HA GLU 75 1.132 1.961 9.393 591 HB2 GLU 75 2HB GLU 75 2.589 0.031 7.586 592 HB3 GLU 75 3HB GLU 75 3.412 1.059 8.749 593 HG2 GLU 75 2HG GLU 75 2.094 0.011 10.559 594 HG3 GLU 75 3HG GLU 75 1.372 -1.068 9.366 595 H VAL 76 H VAL 76 1.824 1.609 5.891 596 HA VAL 76 HA VAL 76 3.388 3.938 5.637 597 HB VAL 76 HB VAL 76 1.689 2.584 3.524 598 HG11 VAL 76 1HG1 VAL 76 3.963 4.555 3.217 599 HG12 VAL 76 2HG1 VAL 76 2.268 4.844 2.826 600 HG13 VAL 76 3HG1 VAL 76 3.199 3.669 1.898 601 HG21 VAL 76 3HG2 VAL 76 3.348 1.090 4.542 602 HG22 VAL 76 1HG2 VAL 76 4.621 2.259 4.188 603 HG23 VAL 76 2HG2 VAL 76 3.761 1.462 2.868 604 H ILE 77 H ILE 77 -0.102 3.449 5.301 605 HA ILE 77 HA ILE 77 -0.837 6.020 4.447 606 HB ILE 77 HB ILE 77 -2.335 3.990 6.118 607 HG12 ILE 77 2HG1 ILE 77 -2.544 4.744 3.183 608 HG13 ILE 77 3HG1 ILE 77 -1.756 3.302 3.818 609 HG21 ILE 77 1HG2 ILE 77 -4.393 5.221 5.605 610 HG22 ILE 77 2HG2 ILE 77 -3.440 6.499 4.848 611 HG23 ILE 77 3HG2 ILE 77 -3.281 6.186 6.576 612 HD11 ILE 77 3HD1 ILE 77 -3.957 2.795 2.929 613 HD12 ILE 77 1HD1 ILE 77 -4.689 3.948 4.045 614 HD13 ILE 77 2HD1 ILE 77 -3.896 2.500 4.667 615 H ASN 78 H ASN 78 -0.749 4.720 7.780 616 HA ASN 78 HA ASN 78 -1.341 7.152 9.080 617 HB2 ASN 78 2HB ASN 78 0.191 4.747 10.100 618 HB3 ASN 78 3HB ASN 78 -0.431 6.047 11.111 619 HD21 ASN 78 1HD2 ASN 78 -1.049 3.167 11.081 620 HD22 ASN 78 2HD2 ASN 78 -2.760 3.071 10.877 621 H PHE 79 H PHE 79 1.726 5.676 8.134 622 HA PHE 79 HA PHE 79 3.480 7.438 9.448 623 HB2 PHE 79 2HB PHE 79 4.134 5.260 8.459 624 HB3 PHE 79 3HB PHE 79 3.918 5.938 6.852 625 HD1 PHE 79 HD2 PHE 79 5.959 6.113 9.928 626 HD2 PHE 79 HD1 PHE 79 5.625 7.254 5.834 627 HE1 PHE 79 HE2 PHE 79 8.304 6.852 9.944 628 HE2 PHE 79 HE1 PHE 79 7.973 7.990 5.847 629 HZ PHE 79 HZ PHE 79 9.314 7.793 7.903 630 H TRP 80 H TRP 80 2.217 7.513 6.111 631 HA TRP 80 HA TRP 80 3.466 9.892 5.293 632 HB2 TRP 80 2HB TRP 80 2.357 8.322 3.739 633 HB3 TRP 80 3HB TRP 80 0.790 8.779 4.398 634 HD1 TRP 80 HD1 TRP 80 3.703 10.301 2.361 635 HE1 TRP 80 HE1 TRP 80 2.771 12.219 0.927 636 HE3 TRP 80 HE3 TRP 80 -1.090 10.392 4.136 637 HZ2 TRP 80 HZ2 TRP 80 0.331 13.593 0.589 638 HZ3 TRP 80 HZ3 TRP 80 -2.661 12.039 3.206 639 HH2 TRP 80 HH2 TRP 80 -1.963 13.611 1.465 640 H GLN 81 H GLN 81 0.148 9.414 6.565 641 HA GLN 81 HA GLN 81 -0.593 12.104 6.694 642 HB2 GLN 81 2HB GLN 81 -2.166 10.235 7.006 643 HB3 GLN 81 3HB GLN 81 -1.416 9.858 8.550 644 HG2 GLN 81 2HG GLN 81 -3.488 11.052 8.886 645 HG3 GLN 81 3HG GLN 81 -2.127 12.034 9.427 646 HE21 GLN 81 1HE2 GLN 81 -3.297 13.945 9.237 647 HE22 GLN 81 2HE2 GLN 81 -3.724 14.624 7.708 648 H ASP 82 H ASP 82 1.183 10.121 9.009 649 HA ASP 82 HA ASP 82 1.337 11.889 11.162 650 HB2 ASP 82 2HB ASP 82 2.067 9.467 11.100 651 HB3 ASP 82 3HB ASP 82 3.530 9.999 10.278 652 H LEU 83 H LEU 83 3.388 11.603 8.282 653 HA LEU 83 HA LEU 83 5.185 13.707 8.952 654 HB2 LEU 83 2HB LEU 83 4.406 12.682 6.214 655 HB3 LEU 83 3HB LEU 83 5.815 13.660 6.584 656 HG LEU 83 HG LEU 83 5.319 10.824 7.516 657 HD11 LEU 83 1HD1 LEU 83 7.279 11.954 5.521 658 HD12 LEU 83 2HD1 LEU 83 5.872 10.951 5.162 659 HD13 LEU 83 3HD1 LEU 83 7.225 10.280 6.072 660 HD21 LEU 83 3HD2 LEU 83 6.528 12.050 9.223 661 HD22 LEU 83 1HD2 LEU 83 7.675 12.652 8.023 662 HD23 LEU 83 2HD2 LEU 83 7.616 10.930 8.406 663 H LYS 84 H LYS 84 2.011 13.642 7.466 664 HA LYS 84 HA LYS 84 2.086 16.273 6.354 665 HB2 LYS 84 2HB LYS 84 -0.323 14.600 7.116 666 HB3 LYS 84 3HB LYS 84 -0.338 16.016 6.070 667 HG2 LYS 84 2HG LYS 84 1.123 13.440 5.490 668 HG3 LYS 84 3HG LYS 84 -0.444 13.893 4.825 669 HD2 LYS 84 2HD LYS 84 2.094 15.488 4.425 670 HD3 LYS 84 3HD LYS 84 1.489 14.288 3.284 671 HE2 LYS 84 2HE LYS 84 -0.624 15.607 3.120 672 HE3 LYS 84 3HE LYS 84 0.125 16.844 4.130 673 HZ1 LYS 84 3HZ LYS 84 1.178 15.924 1.510 674 HZ2 LYS 84 1HZ LYS 84 1.810 17.171 2.460 675 HZ3 LYS 84 2HZ LYS 84 0.286 17.338 1.752 676 H ASN 85 H ASN 85 0.644 14.984 9.392 677 HA ASN 85 HA ASN 85 -0.258 17.549 10.260 678 HB2 ASN 85 2HB ASN 85 -0.606 16.489 12.480 679 HB3 ASN 85 3HB ASN 85 -1.339 15.584 11.162 680 HD21 ASN 85 1HD2 ASN 85 1.274 15.658 13.471 681 HD22 ASN 85 2HD2 ASN 85 1.667 13.982 13.356 682 H GLN 86 H GLN 86 2.797 15.892 10.537 683 HA GLN 86 HA GLN 86 3.828 17.938 12.361 684 HB2 GLN 86 2HB GLN 86 5.084 15.451 11.189 685 HB3 GLN 86 3HB GLN 86 5.959 16.592 12.203 686 HG2 GLN 86 2HG GLN 86 4.476 16.151 14.058 687 HG3 GLN 86 3HG GLN 86 3.478 15.103 13.052 688 HE21 GLN 86 1HE2 GLN 86 4.235 13.067 12.515 689 HE22 GLN 86 2HE2 GLN 86 5.554 12.324 13.343 690 H ASN 87 H ASN 87 3.335 17.745 9.107 691 HA ASN 87 HA ASN 87 4.027 18.956 7.310 692 HB2 ASN 87 2HB ASN 87 5.320 20.706 9.413 693 HB3 ASN 87 3HB ASN 87 5.066 21.157 7.732 694 HD21 ASN 87 1HD2 ASN 87 2.456 19.884 7.565 695 HD22 ASN 87 2HD2 ASN 87 1.378 20.885 8.465 696 H LYS 88 H LYS 88 5.822 16.802 8.369 697 HA LYS 88 HA LYS 88 8.531 17.646 7.938 698 HB2 LYS 88 2HB LYS 88 7.319 14.884 8.151 699 HB3 LYS 88 3HB LYS 88 9.046 15.201 8.059 700 HG2 LYS 88 2HG LYS 88 8.906 16.501 10.146 701 HG3 LYS 88 3HG LYS 88 7.186 16.123 10.245 702 HD2 LYS 88 2HD LYS 88 7.690 13.746 10.415 703 HD3 LYS 88 3HD LYS 88 9.414 14.079 10.225 704 HE2 LYS 88 2HE LYS 88 9.383 15.374 12.312 705 HE3 LYS 88 3HE LYS 88 7.664 15.025 12.503 706 HZ1 LYS 88 3HZ LYS 88 8.216 12.665 12.599 707 HZ2 LYS 88 1HZ LYS 88 8.983 13.532 13.830 708 HZ3 LYS 88 2HZ LYS 88 9.862 13.029 12.477 709 H GLN 89 H GLN 89 6.661 15.164 6.145 710 HA GLN 89 HA GLN 89 6.804 14.393 4.007 711 HB2 GLN 89 2HB GLN 89 5.933 16.686 3.550 712 HB3 GLN 89 3HB GLN 89 7.585 17.252 3.358 713 HG2 GLN 89 2HG GLN 89 6.554 16.909 1.198 714 HG3 GLN 89 3HG GLN 89 7.868 15.758 1.431 715 HE21 GLN 89 1HE2 GLN 89 6.922 14.437 -0.194 716 HE22 GLN 89 2HE2 GLN 89 5.532 13.462 0.142 717 H ILE 90 H ILE 90 8.580 13.006 4.420 718 HA ILE 90 HA ILE 90 11.285 14.034 3.972 719 HB ILE 90 HB ILE 90 12.063 11.843 4.797 720 HG12 ILE 90 2HG1 ILE 90 9.111 11.252 5.175 721 HG13 ILE 90 3HG1 ILE 90 10.175 10.466 4.014 722 HG21 ILE 90 1HG2 ILE 90 11.331 12.117 7.132 723 HG22 ILE 90 2HG2 ILE 90 10.058 13.212 6.594 724 HG23 ILE 90 3HG2 ILE 90 11.750 13.656 6.379 725 HD11 ILE 90 3HD1 ILE 90 10.400 10.313 7.015 726 HD12 ILE 90 1HD1 ILE 90 11.487 9.538 5.861 727 HD13 ILE 90 2HD1 ILE 90 9.794 9.052 5.940 728 H SER 91 H SER 91 12.816 12.485 2.809 729 HA SER 91 HA SER 91 11.870 12.114 0.127 730 HB2 SER 91 2HB SER 91 14.185 12.849 0.610 731 HB3 SER 91 3HB SER 91 14.515 11.287 1.358 732 HG SER 91 HG SER 91 14.483 11.985 -1.277 733 H MET 92 H MET 92 11.594 10.199 -1.031 734 HA MET 92 HA MET 92 10.467 7.993 0.188 735 HB2 MET 92 2HB MET 92 10.800 6.805 -1.954 736 HB3 MET 92 3HB MET 92 10.190 8.436 -2.184 737 HG2 MET 92 2HG MET 92 12.449 9.197 -2.753 738 HG3 MET 92 3HG MET 92 13.050 7.554 -2.544 739 HE1 MET 92 3HE MET 92 11.226 5.658 -5.463 740 HE2 MET 92 1HE MET 92 10.616 5.849 -3.819 741 HE3 MET 92 2HE MET 92 12.326 5.513 -4.093 742 H ALA 93 H ALA 93 13.867 8.628 -0.386 743 HA ALA 93 HA ALA 93 14.877 6.030 0.094 744 HB1 ALA 93 3HB ALA 93 16.203 8.704 0.544 745 HB2 ALA 93 1HB ALA 93 16.209 7.780 -0.957 746 HB3 ALA 93 2HB ALA 93 17.026 7.145 0.471 747 H GLU 94 H GLU 94 14.083 8.703 2.263 748 HA GLU 94 HA GLU 94 15.131 7.502 4.633 749 HB2 GLU 94 2HB GLU 94 13.010 9.645 4.315 750 HB3 GLU 94 3HB GLU 94 13.835 9.240 5.816 751 HG2 GLU 94 2HG GLU 94 15.954 9.972 4.887 752 HG3 GLU 94 3HG GLU 94 15.182 10.303 3.337 753 H ALA 95 H ALA 95 11.934 7.596 3.107 754 HA ALA 95 HA ALA 95 10.447 6.249 5.057 755 HB1 ALA 95 3HB ALA 95 10.117 6.105 2.058 756 HB2 ALA 95 1HB ALA 95 9.443 7.348 3.112 757 HB3 ALA 95 2HB ALA 95 8.897 5.678 3.259 758 H GLN 96 H GLN 96 12.552 4.986 2.523 759 HA GLN 96 HA GLN 96 12.011 2.240 2.829 760 HB2 GLN 96 2HB GLN 96 14.459 3.733 1.885 761 HB3 GLN 96 3HB GLN 96 14.382 1.974 1.897 762 HG2 GLN 96 2HG GLN 96 12.409 3.730 0.442 763 HG3 GLN 96 3HG GLN 96 13.852 3.039 -0.299 764 HE21 GLN 96 1HE2 GLN 96 10.734 2.313 1.100 765 HE22 GLN 96 2HE2 GLN 96 10.604 0.715 0.463 766 H GLY 97 H GLY 97 13.627 4.399 4.956 767 HA2 GLY 97 2HA GLY 97 15.263 2.517 6.335 768 HA3 GLY 97 3HA GLY 97 14.711 4.063 6.963 769 H LYS 98 H LYS 98 11.854 3.271 6.497 770 HA LYS 98 HA LYS 98 11.557 1.563 8.888 771 HB2 LYS 98 2HB LYS 98 10.557 4.008 8.610 772 HB3 LYS 98 3HB LYS 98 9.281 3.165 7.747 773 HG2 LYS 98 2HG LYS 98 10.126 2.563 10.588 774 HG3 LYS 98 3HG LYS 98 8.767 3.589 10.132 775 HD2 LYS 98 2HD LYS 98 7.682 1.691 9.040 776 HD3 LYS 98 3HD LYS 98 9.054 0.658 9.440 777 HE2 LYS 98 2HE LYS 98 8.607 1.057 11.845 778 HE3 LYS 98 3HE LYS 98 7.185 2.001 11.399 779 HZ1 LYS 98 3HZ LYS 98 6.220 0.036 10.391 780 HZ2 LYS 98 1HZ LYS 98 6.629 -0.291 12.000 781 HZ3 LYS 98 2HZ LYS 98 7.604 -0.870 10.744 782 H PHE 99 H PHE 99 10.522 1.925 5.515 783 HA PHE 99 HA PHE 99 9.211 -0.725 5.683 784 HB2 PHE 99 2HB PHE 99 8.434 1.568 3.865 785 HB3 PHE 99 3HB PHE 99 7.630 0.006 3.968 786 HD1 PHE 99 HD2 PHE 99 6.578 -0.626 6.223 787 HD2 PHE 99 HD1 PHE 99 7.744 3.344 5.206 788 HE1 PHE 99 HE2 PHE 99 5.093 0.255 7.970 789 HE2 PHE 99 HE1 PHE 99 6.260 4.229 6.955 790 HZ PHE 99 HZ PHE 99 4.932 2.687 8.340 791 HA PRO 100 HA PRO 100 12.647 -0.811 2.419 792 HB2 PRO 100 2HB PRO 100 13.965 -2.996 3.369 793 HB3 PRO 100 3HB PRO 100 14.302 -1.355 3.935 794 HG2 PRO 100 2HG PRO 100 12.589 -3.476 5.194 795 HG3 PRO 100 3HG PRO 100 13.790 -2.413 5.954 796 HD2 PRO 100 2HD PRO 100 11.138 -1.904 6.081 797 HD3 PRO 100 3HD PRO 100 12.344 -0.603 6.009 798 H GLU 101 H GLU 101 10.388 -3.116 3.742 799 HA GLU 101 HA GLU 101 10.669 -5.050 1.612 800 HB2 GLU 101 2HB GLU 101 8.474 -4.768 3.680 801 HB3 GLU 101 3HB GLU 101 8.741 -6.163 2.639 802 HG2 GLU 101 2HG GLU 101 10.877 -6.586 3.729 803 HG3 GLU 101 3HG GLU 101 10.655 -5.158 4.742 804 H VAL 102 H VAL 102 8.877 -2.134 2.100 805 HA VAL 102 HA VAL 102 6.821 -2.804 0.143 806 HB VAL 102 HB VAL 102 7.322 -0.193 1.604 807 HG11 VAL 102 1HG1 VAL 102 4.938 -1.113 -0.014 808 HG12 VAL 102 2HG1 VAL 102 6.085 0.148 -0.468 809 HG13 VAL 102 3HG1 VAL 102 5.026 0.379 0.923 810 HG21 VAL 102 3HG2 VAL 102 5.350 -2.412 2.193 811 HG22 VAL 102 1HG2 VAL 102 5.423 -0.857 3.025 812 HG23 VAL 102 2HG2 VAL 102 6.766 -1.991 3.156 813 H VAL 103 H VAL 103 6.777 -2.127 -1.954 814 HA VAL 103 HA VAL 103 9.236 -0.971 -3.009 815 HB VAL 103 HB VAL 103 6.811 -2.016 -4.492 816 HG11 VAL 103 1HG1 VAL 103 9.566 -1.300 -5.514 817 HG12 VAL 103 2HG1 VAL 103 8.073 -0.418 -5.836 818 HG13 VAL 103 3HG1 VAL 103 8.282 -2.054 -6.460 819 HG21 VAL 103 3HG2 VAL 103 9.466 -3.350 -3.921 820 HG22 VAL 103 1HG2 VAL 103 8.176 -4.007 -4.929 821 HG23 VAL 103 2HG2 VAL 103 7.912 -3.775 -3.201 822 H PHE 104 H PHE 104 9.309 1.211 -2.775 823 HA PHE 104 HA PHE 104 6.984 2.860 -3.362 824 HB2 PHE 104 2HB PHE 104 9.781 3.516 -2.411 825 HB3 PHE 104 3HB PHE 104 8.608 4.759 -2.824 826 HD1 PHE 104 HD1 PHE 104 8.963 1.736 -0.656 827 HD2 PHE 104 HD2 PHE 104 7.231 5.594 -1.162 828 HE1 PHE 104 HE1 PHE 104 8.060 1.629 1.629 829 HE2 PHE 104 HE2 PHE 104 6.324 5.489 1.122 830 HZ PHE 104 HZ PHE 104 6.739 3.505 2.522 831 H SER 105 H SER 105 6.540 3.643 -5.310 832 HA SER 105 HA SER 105 8.550 3.502 -7.436 833 HB2 SER 105 2HB SER 105 5.564 4.031 -7.555 834 HB3 SER 105 3HB SER 105 6.622 3.947 -8.963 835 HG SER 105 HG SER 105 5.527 1.934 -7.476 836 H GLY 106 H GLY 106 9.714 5.253 -7.940 837 HA2 GLY 106 2HA GLY 106 8.473 7.926 -7.583 838 HA3 GLY 106 3HA GLY 106 10.145 7.606 -7.154 839 H SER 107 H SER 107 11.018 9.123 -8.537 840 HA SER 107 HA SER 107 11.833 10.040 -10.446 841 HB2 SER 107 2HB SER 107 12.798 7.809 -10.779 842 HB3 SER 107 3HB SER 107 11.330 7.279 -11.596 843 HG SER 107 HG SER 107 13.402 8.893 -12.505 844 H ASN 108 H ASN 108 10.015 11.476 -10.599 845 HA ASN 108 HA ASN 108 8.143 10.848 -12.799 846 HB2 ASN 108 2HB ASN 108 7.906 12.959 -10.630 847 HB3 ASN 108 3HB ASN 108 6.702 12.616 -11.870 848 HD21 ASN 108 1HD2 ASN 108 6.560 12.489 -8.929 849 HD22 ASN 108 2HD2 ASN 108 6.033 10.883 -8.571 850 H LEU 109 H LEU 109 10.952 12.488 -12.203 851 HA LEU 109 HA LEU 109 10.344 14.764 -13.972 852 HB2 LEU 109 2HB LEU 109 12.680 14.409 -12.082 853 HB3 LEU 109 3HB LEU 109 12.321 15.844 -13.020 854 HG LEU 109 HG LEU 109 10.138 15.993 -11.689 855 HD11 LEU 109 1HD1 LEU 109 10.120 14.911 -9.496 856 HD12 LEU 109 2HD1 LEU 109 11.596 14.040 -9.907 857 HD13 LEU 109 3HD1 LEU 109 10.108 13.722 -10.798 858 HD21 LEU 109 3HD2 LEU 109 11.240 17.076 -9.785 859 HD22 LEU 109 1HD2 LEU 109 12.004 17.504 -11.316 860 HD23 LEU 109 2HD2 LEU 109 12.768 16.327 -10.245 861 H GLU 110 H GLU 110 11.967 15.386 -15.574 862 HA GLU 110 HA GLU 110 13.052 13.155 -16.977 863 HB2 GLU 110 2HB GLU 110 13.408 16.120 -17.424 864 HB3 GLU 110 3HB GLU 110 14.043 14.884 -18.501 865 HG2 GLU 110 2HG GLU 110 11.656 14.064 -18.745 866 HG3 GLU 110 3HG GLU 110 11.167 15.549 -17.928 867 H HIS 111 H HIS 111 14.371 12.355 -15.146 868 HA HIS 111 HA HIS 111 16.934 13.659 -14.718 869 HB2 HIS 111 2HB HIS 111 15.717 12.380 -12.933 870 HB3 HIS 111 3HB HIS 111 16.001 10.907 -13.850 871 HD1 HIS 111 HD1 HIS 111 17.782 13.486 -11.775 872 HD2 HIS 111 HD2 HIS 111 18.561 9.817 -13.573 873 HE1 HIS 111 HE1 HIS 111 19.987 12.733 -10.846 874 HE2 HIS 111 HE2 HIS 111 20.360 10.450 -11.825 875 H HIS 112 H HIS 112 15.704 12.132 -17.253 876 HA HIS 112 HA HIS 112 18.264 11.062 -18.193 877 HB2 HIS 112 2HB HIS 112 17.005 9.093 -19.193 878 HB3 HIS 112 3HB HIS 112 17.184 9.062 -17.442 879 HD1 HIS 112 HD1 HIS 112 14.535 10.427 -19.851 880 HD2 HIS 112 HD2 HIS 112 14.857 8.342 -16.265 881 HE1 HIS 112 HE1 HIS 112 12.183 9.957 -19.132 882 HE2 HIS 112 HE2 HIS 112 12.400 8.585 -17.038 883 H HIS 113 H HIS 113 18.485 11.096 -20.493 884 HA HIS 113 HA HIS 113 16.865 13.087 -21.812 885 HB2 HIS 113 2HB HIS 113 19.154 11.373 -22.807 886 HB3 HIS 113 3HB HIS 113 18.348 12.597 -23.786 887 HD1 HIS 113 HD1 HIS 113 20.959 12.165 -21.242 888 HD2 HIS 113 HD2 HIS 113 18.705 15.290 -22.793 889 HE1 HIS 113 HE1 HIS 113 22.137 14.260 -20.533 890 HE2 HIS 113 HE2 HIS 113 20.868 16.118 -21.646 891 H HIS 114 H HIS 114 14.953 12.665 -22.703 892 HA HIS 114 HA HIS 114 13.981 10.084 -23.311 893 HB2 HIS 114 2HB HIS 114 12.493 11.961 -22.808 894 HB3 HIS 114 3HB HIS 114 13.009 12.787 -24.273 895 HD1 HIS 114 HD1 HIS 114 11.504 9.369 -23.465 896 HD2 HIS 114 HD2 HIS 114 11.204 12.437 -26.253 897 HE1 HIS 114 HE1 HIS 114 9.688 8.667 -25.051 898 HE2 HIS 114 HE2 HIS 114 9.538 10.523 -26.738 899 H HIS 115 H HIS 115 15.516 12.572 -25.334 900 HA HIS 115 HA HIS 115 15.532 10.906 -27.684 901 HB2 HIS 115 2HB HIS 115 17.028 13.417 -26.926 902 HB3 HIS 115 3HB HIS 115 17.434 12.523 -28.387 903 HD1 HIS 115 HD1 HIS 115 15.555 15.332 -27.450 904 HD2 HIS 115 HD2 HIS 115 14.807 12.095 -29.943 905 HE1 HIS 115 HE1 HIS 115 13.737 16.087 -29.002 906 HE2 HIS 115 HE2 HIS 115 13.439 14.182 -30.614 907 H HIS 116 H HIS 116 16.212 8.976 -26.399 908 HA HIS 116 HA HIS 116 19.021 8.874 -25.633 909 HB2 HIS 116 2HB HIS 116 17.222 7.794 -24.256 910 HB3 HIS 116 3HB HIS 116 16.956 6.656 -25.574 911 HD1 HIS 116 HD1 HIS 116 19.040 5.058 -26.141 912 HD2 HIS 116 HD2 HIS 116 19.246 7.119 -22.539 913 HE1 HIS 116 HE1 HIS 116 20.806 3.892 -24.796 914 HE2 HIS 116 HE2 HIS 116 20.799 5.053 -22.572 Start of MODEL 6 1 H1 MET 1 1H MET 1 12.622 -30.406 -4.755 2 H2 MET 1 2H MET 1 11.060 -30.969 -4.433 3 H3 MET 1 3H MET 1 12.257 -31.059 -3.239 4 HA MET 1 HA MET 1 12.379 -28.690 -3.079 5 HB2 MET 1 2HB MET 1 10.309 -28.778 -5.283 6 HB3 MET 1 3HB MET 1 10.614 -27.342 -4.316 7 HG2 MET 1 2HG MET 1 12.974 -27.382 -5.070 8 HG3 MET 1 3HG MET 1 12.581 -28.743 -6.119 9 HE1 MET 1 3HE MET 1 11.920 -24.923 -5.371 10 HE2 MET 1 1HE MET 1 10.308 -25.631 -5.297 11 HE3 MET 1 2HE MET 1 10.727 -24.532 -6.611 12 H ALA 2 H ALA 2 9.693 -27.403 -2.937 13 HA ALA 2 HA ALA 2 9.046 -28.473 -0.342 14 HB1 ALA 2 3HB ALA 2 7.750 -26.199 -1.845 15 HB2 ALA 2 1HB ALA 2 9.133 -26.054 -0.759 16 HB3 ALA 2 2HB ALA 2 7.567 -26.562 -0.128 17 H ALA 3 H ALA 3 6.802 -27.579 -2.984 18 HA ALA 3 HA ALA 3 5.469 -30.090 -3.071 19 HB1 ALA 3 3HB ALA 3 4.686 -29.445 -0.849 20 HB2 ALA 3 1HB ALA 3 3.349 -29.458 -1.999 21 HB3 ALA 3 2HB ALA 3 4.064 -27.926 -1.493 22 H SER 4 H SER 4 3.492 -30.017 -4.424 23 HA SER 4 HA SER 4 3.786 -28.149 -6.599 24 HB2 SER 4 2HB SER 4 3.195 -30.509 -7.012 25 HB3 SER 4 3HB SER 4 1.675 -30.280 -6.149 26 HG SER 4 HG SER 4 2.155 -28.475 -8.199 27 H THR 5 H THR 5 2.040 -28.121 -3.696 28 HA THR 5 HA THR 5 -0.289 -26.704 -4.388 29 HB THR 5 HB THR 5 1.284 -26.480 -1.803 30 HG1 THR 5 HG1 THR 5 -0.781 -28.069 -1.476 31 HG21 THR 5 3HG2 THR 5 -0.860 -25.881 -0.792 32 HG22 THR 5 1HG2 THR 5 -1.652 -25.997 -2.364 33 HG23 THR 5 2HG2 THR 5 -0.448 -24.742 -2.073 34 H VAL 6 H VAL 6 -0.379 -24.782 -5.414 35 HA VAL 6 HA VAL 6 1.897 -22.976 -5.321 36 HB VAL 6 HB VAL 6 0.856 -23.463 -7.491 37 HG11 VAL 6 1HG1 VAL 6 -1.463 -23.724 -6.766 38 HG12 VAL 6 2HG1 VAL 6 -1.328 -22.565 -8.087 39 HG13 VAL 6 3HG1 VAL 6 -1.562 -21.994 -6.435 40 HG21 VAL 6 3HG2 VAL 6 2.067 -21.360 -7.185 41 HG22 VAL 6 1HG2 VAL 6 0.578 -20.566 -6.668 42 HG23 VAL 6 2HG2 VAL 6 0.733 -21.162 -8.321 43 H HIS 7 H HIS 7 1.993 -21.047 -4.334 44 HA HIS 7 HA HIS 7 -0.452 -19.851 -3.227 45 HB2 HIS 7 2HB HIS 7 0.529 -20.911 -1.319 46 HB3 HIS 7 3HB HIS 7 2.141 -20.348 -1.752 47 HD1 HIS 7 HD1 HIS 7 2.889 -18.239 -0.677 48 HD2 HIS 7 HD2 HIS 7 -1.235 -18.695 -0.476 49 HE1 HIS 7 HE1 HIS 7 2.070 -16.315 0.697 50 HE2 HIS 7 HE2 HIS 7 -0.429 -16.547 0.721 51 H THR 8 H THR 8 -0.675 -17.945 -4.198 52 HA THR 8 HA THR 8 1.527 -16.531 -5.378 53 HB THR 8 HB THR 8 -1.320 -15.573 -4.959 54 HG1 THR 8 HG1 THR 8 -0.986 -16.189 -7.461 55 HG21 THR 8 3HG2 THR 8 0.235 -13.744 -5.452 56 HG22 THR 8 1HG2 THR 8 -0.834 -14.042 -6.823 57 HG23 THR 8 2HG2 THR 8 0.832 -14.621 -6.862 58 H SER 9 H SER 9 2.838 -15.115 -4.395 59 HA SER 9 HA SER 9 2.129 -13.993 -1.782 60 HB2 SER 9 2HB SER 9 4.401 -14.906 -2.063 61 HB3 SER 9 3HB SER 9 4.703 -13.777 -3.379 62 HG SER 9 HG SER 9 4.201 -13.121 -0.656 63 H PHE 10 H PHE 10 2.814 -11.536 -1.514 64 HA PHE 10 HA PHE 10 1.919 -10.010 -3.864 65 HB2 PHE 10 2HB PHE 10 0.590 -9.839 -1.145 66 HB3 PHE 10 3HB PHE 10 0.245 -8.788 -2.513 67 HD1 PHE 10 HD1 PHE 10 -0.775 -9.757 -4.587 68 HD2 PHE 10 HD2 PHE 10 -0.409 -11.987 -0.970 69 HE1 PHE 10 HE1 PHE 10 -2.452 -11.365 -5.408 70 HE2 PHE 10 HE2 PHE 10 -2.075 -13.596 -1.792 71 HZ PHE 10 HZ PHE 10 -3.096 -13.288 -4.011 72 H ILE 11 H ILE 11 2.933 -8.131 -4.143 73 HA ILE 11 HA ILE 11 4.629 -7.066 -1.961 74 HB ILE 11 HB ILE 11 4.875 -6.554 -4.939 75 HG12 ILE 11 2HG1 ILE 11 6.474 -8.411 -3.154 76 HG13 ILE 11 3HG1 ILE 11 5.371 -8.893 -4.435 77 HG21 ILE 11 1HG2 ILE 11 7.069 -5.600 -4.375 78 HG22 ILE 11 2HG2 ILE 11 6.740 -5.867 -2.663 79 HG23 ILE 11 3HG2 ILE 11 5.755 -4.729 -3.583 80 HD11 ILE 11 3HD1 ILE 11 7.933 -7.356 -4.822 81 HD12 ILE 11 1HD1 ILE 11 6.832 -7.879 -6.098 82 HD13 ILE 11 2HD1 ILE 11 7.696 -9.076 -5.133 83 H LEU 12 H LEU 12 4.505 -4.879 -1.400 84 HA LEU 12 HA LEU 12 2.206 -3.406 -2.499 85 HB2 LEU 12 2HB LEU 12 2.213 -3.766 -0.076 86 HB3 LEU 12 3HB LEU 12 3.766 -2.963 0.048 87 HG LEU 12 HG LEU 12 2.684 -0.858 -0.789 88 HD11 LEU 12 1HD1 LEU 12 0.790 -1.822 -1.955 89 HD12 LEU 12 2HD1 LEU 12 0.238 -0.702 -0.710 90 HD13 LEU 12 3HD1 LEU 12 0.142 -2.443 -0.435 91 HD21 LEU 12 3HD2 LEU 12 3.062 -1.265 1.610 92 HD22 LEU 12 1HD2 LEU 12 1.465 -2.007 1.726 93 HD23 LEU 12 2HD2 LEU 12 1.618 -0.297 1.319 94 H LYS 13 H LYS 13 2.503 -1.676 -3.749 95 HA LYS 13 HA LYS 13 5.073 -0.230 -3.637 96 HB2 LYS 13 2HB LYS 13 3.119 -0.402 -5.944 97 HB3 LYS 13 3HB LYS 13 4.588 0.563 -5.929 98 HG2 LYS 13 2HG LYS 13 5.858 -1.599 -5.585 99 HG3 LYS 13 3HG LYS 13 4.345 -2.437 -5.934 100 HD2 LYS 13 2HD LYS 13 5.858 -0.564 -7.761 101 HD3 LYS 13 3HD LYS 13 5.647 -2.305 -7.959 102 HE2 LYS 13 2HE LYS 13 3.457 -0.222 -8.064 103 HE3 LYS 13 3HE LYS 13 4.161 -1.061 -9.444 104 HZ1 LYS 13 3HZ LYS 13 3.301 -3.129 -8.629 105 HZ2 LYS 13 1HZ LYS 13 2.035 -2.015 -8.719 106 HZ3 LYS 13 2HZ LYS 13 2.721 -2.398 -7.225 107 H VAL 14 H VAL 14 5.045 1.947 -3.313 108 HA VAL 14 HA VAL 14 2.415 3.219 -2.877 109 HB VAL 14 HB VAL 14 4.949 3.565 -1.252 110 HG11 VAL 14 1HG1 VAL 14 3.841 5.724 -1.553 111 HG12 VAL 14 2HG1 VAL 14 3.679 5.162 0.110 112 HG13 VAL 14 3HG1 VAL 14 2.316 5.029 -1.004 113 HG21 VAL 14 3HG2 VAL 14 3.599 2.707 0.600 114 HG22 VAL 14 1HG2 VAL 14 3.661 1.543 -0.724 115 HG23 VAL 14 2HG2 VAL 14 2.215 2.522 -0.478 116 H LEU 15 H LEU 15 2.076 4.800 -4.298 117 HA LEU 15 HA LEU 15 4.283 6.132 -5.642 118 HB2 LEU 15 2HB LEU 15 1.841 5.407 -6.517 119 HB3 LEU 15 3HB LEU 15 1.464 7.040 -6.007 120 HG LEU 15 HG LEU 15 3.498 6.223 -8.095 121 HD11 LEU 15 1HD1 LEU 15 0.890 7.726 -8.311 122 HD12 LEU 15 2HD1 LEU 15 1.205 6.083 -8.871 123 HD13 LEU 15 3HD1 LEU 15 2.026 7.444 -9.632 124 HD21 LEU 15 3HD2 LEU 15 3.834 8.631 -8.478 125 HD22 LEU 15 1HD2 LEU 15 4.353 8.141 -6.865 126 HD23 LEU 15 2HD2 LEU 15 2.821 8.987 -7.079 127 H TRP 16 H TRP 16 5.311 7.544 -4.318 128 HA TRP 16 HA TRP 16 3.813 9.236 -2.469 129 HB2 TRP 16 2HB TRP 16 5.984 8.023 -1.882 130 HB3 TRP 16 3HB TRP 16 6.809 9.186 -2.913 131 HD1 TRP 16 HD1 TRP 16 6.850 11.768 -2.044 132 HE1 TRP 16 HE1 TRP 16 6.701 12.729 0.337 133 HE3 TRP 16 HE3 TRP 16 4.923 7.686 0.366 134 HZ2 TRP 16 HZ2 TRP 16 5.878 11.876 2.898 135 HZ3 TRP 16 HZ3 TRP 16 4.485 7.843 2.784 136 HH2 TRP 16 HH2 TRP 16 4.954 9.892 4.023 137 H LEU 17 H LEU 17 3.110 11.212 -3.067 138 HA LEU 17 HA LEU 17 4.417 12.507 -5.380 139 HB2 LEU 17 2HB LEU 17 1.556 12.595 -4.431 140 HB3 LEU 17 3HB LEU 17 2.191 13.681 -5.654 141 HG LEU 17 HG LEU 17 2.100 10.665 -5.888 142 HD11 LEU 17 1HD1 LEU 17 -0.131 11.645 -5.963 143 HD12 LEU 17 2HD1 LEU 17 0.350 11.056 -7.553 144 HD13 LEU 17 3HD1 LEU 17 0.396 12.784 -7.202 145 HD21 LEU 17 3HD2 LEU 17 2.869 12.777 -7.913 146 HD22 LEU 17 1HD2 LEU 17 2.749 11.042 -8.215 147 HD23 LEU 17 2HD2 LEU 17 3.978 11.663 -7.113 148 H ASP 18 H ASP 18 3.725 14.925 -5.449 149 HA ASP 18 HA ASP 18 5.181 16.444 -3.717 150 HB2 ASP 18 2HB ASP 18 4.471 17.358 -5.778 151 HB3 ASP 18 3HB ASP 18 2.776 17.058 -5.423 152 H GLN 19 H GLN 19 1.883 15.333 -3.211 153 HA GLN 19 HA GLN 19 1.956 16.413 -0.503 154 HB2 GLN 19 2HB GLN 19 -0.407 17.285 -0.759 155 HB3 GLN 19 3HB GLN 19 0.852 18.211 -1.563 156 HG2 GLN 19 2HG GLN 19 0.248 17.220 -3.702 157 HG3 GLN 19 3HG GLN 19 -0.978 16.227 -2.911 158 HE21 GLN 19 1HE2 GLN 19 -0.089 19.468 -3.845 159 HE22 GLN 19 2HE2 GLN 19 -1.673 20.145 -3.711 160 H ASN 20 H ASN 20 -0.162 14.627 -2.764 161 HA ASN 20 HA ASN 20 -1.222 13.046 -0.560 162 HB2 ASN 20 2HB ASN 20 -1.956 13.162 -3.494 163 HB3 ASN 20 3HB ASN 20 -2.764 12.139 -2.308 164 HD21 ASN 20 1HD2 ASN 20 -3.774 14.383 -3.942 165 HD22 ASN 20 2HD2 ASN 20 -4.455 15.493 -2.807 166 H VAL 21 H VAL 21 -1.674 10.626 -1.239 167 HA VAL 21 HA VAL 21 0.751 9.433 -2.404 168 HB VAL 21 HB VAL 21 1.138 9.576 0.014 169 HG11 VAL 21 1HG1 VAL 21 -1.375 7.924 0.291 170 HG12 VAL 21 2HG1 VAL 21 -1.166 9.602 0.793 171 HG13 VAL 21 3HG1 VAL 21 -0.259 8.321 1.599 172 HG21 VAL 21 3HG2 VAL 21 1.638 7.224 0.460 173 HG22 VAL 21 1HG2 VAL 21 2.066 7.666 -1.193 174 HG23 VAL 21 2HG2 VAL 21 0.593 6.745 -0.879 175 H ALA 22 H ALA 22 0.495 7.294 -3.193 176 HA ALA 22 HA ALA 22 -2.264 6.227 -3.221 177 HB1 ALA 22 3HB ALA 22 -0.406 6.332 -5.598 178 HB2 ALA 22 1HB ALA 22 -1.807 7.372 -5.346 179 HB3 ALA 22 2HB ALA 22 -2.027 5.636 -5.570 180 H ILE 23 H ILE 23 -2.467 3.951 -3.334 181 HA ILE 23 HA ILE 23 0.041 2.431 -2.925 182 HB ILE 23 HB ILE 23 -1.187 0.945 -1.360 183 HG12 ILE 23 2HG1 ILE 23 -3.359 3.065 -1.536 184 HG13 ILE 23 3HG1 ILE 23 -3.491 1.412 -2.123 185 HG21 ILE 23 1HG2 ILE 23 0.250 2.738 -0.518 186 HG22 ILE 23 2HG2 ILE 23 -1.118 2.461 0.559 187 HG23 ILE 23 3HG2 ILE 23 -1.119 3.851 -0.528 188 HD11 ILE 23 3HD1 ILE 23 -3.174 2.262 0.747 189 HD12 ILE 23 1HD1 ILE 23 -3.263 0.596 0.178 190 HD13 ILE 23 2HD1 ILE 23 -4.648 1.670 -0.020 191 H ALA 24 H ALA 24 0.205 0.404 -3.841 192 HA ALA 24 HA ALA 24 -2.094 -0.854 -5.126 193 HB1 ALA 24 3HB ALA 24 -1.243 0.682 -6.848 194 HB2 ALA 24 1HB ALA 24 -1.039 -1.006 -7.316 195 HB3 ALA 24 2HB ALA 24 0.345 -0.078 -6.732 196 H VAL 25 H VAL 25 -1.688 -3.090 -5.731 197 HA VAL 25 HA VAL 25 0.705 -4.225 -4.398 198 HB VAL 25 HB VAL 25 -2.099 -5.375 -4.471 199 HG11 VAL 25 1HG1 VAL 25 -0.453 -7.170 -4.619 200 HG12 VAL 25 2HG1 VAL 25 -1.226 -7.168 -3.034 201 HG13 VAL 25 3HG1 VAL 25 0.406 -6.521 -3.220 202 HG21 VAL 25 3HG2 VAL 25 -2.034 -5.076 -2.030 203 HG22 VAL 25 1HG2 VAL 25 -1.876 -3.541 -2.885 204 HG23 VAL 25 2HG2 VAL 25 -0.454 -4.303 -2.172 205 H ASP 26 H ASP 26 1.742 -5.975 -5.351 206 HA ASP 26 HA ASP 26 0.846 -6.753 -8.060 207 HB2 ASP 26 2HB ASP 26 3.655 -6.908 -6.939 208 HB3 ASP 26 3HB ASP 26 3.164 -7.262 -8.593 209 H GLN 27 H GLN 27 0.628 -8.897 -8.556 210 HA GLN 27 HA GLN 27 0.761 -10.795 -6.345 211 HB2 GLN 27 2HB GLN 27 -0.497 -12.304 -7.822 212 HB3 GLN 27 3HB GLN 27 -1.292 -10.748 -7.658 213 HG2 GLN 27 2HG GLN 27 -0.362 -10.081 -9.854 214 HG3 GLN 27 3HG GLN 27 0.335 -11.689 -10.015 215 HE21 GLN 27 1HE2 GLN 27 -1.053 -13.463 -10.310 216 HE22 GLN 27 2HE2 GLN 27 -2.670 -13.255 -10.872 217 H ILE 28 H ILE 28 2.564 -11.939 -6.035 218 HA ILE 28 HA ILE 28 4.582 -12.261 -8.058 219 HB ILE 28 HB ILE 28 4.374 -13.487 -5.296 220 HG12 ILE 28 2HG1 ILE 28 5.928 -11.088 -6.318 221 HG13 ILE 28 3HG1 ILE 28 4.522 -11.036 -5.260 222 HG21 ILE 28 1HG2 ILE 28 6.788 -13.950 -5.539 223 HG22 ILE 28 2HG2 ILE 28 6.706 -13.408 -7.214 224 HG23 ILE 28 3HG2 ILE 28 5.813 -14.842 -6.707 225 HD11 ILE 28 3HD1 ILE 28 5.789 -12.189 -3.523 226 HD12 ILE 28 1HD1 ILE 28 6.569 -10.689 -4.018 227 HD13 ILE 28 2HD1 ILE 28 7.199 -12.235 -4.583 228 H VAL 29 H VAL 29 4.464 -13.706 -9.625 229 HA VAL 29 HA VAL 29 3.001 -16.240 -9.190 230 HB VAL 29 HB VAL 29 3.633 -14.977 -11.868 231 HG11 VAL 29 1HG1 VAL 29 1.580 -17.039 -11.057 232 HG12 VAL 29 2HG1 VAL 29 3.085 -17.352 -11.924 233 HG13 VAL 29 3HG1 VAL 29 1.814 -16.396 -12.684 234 HG21 VAL 29 3HG2 VAL 29 1.115 -14.618 -10.231 235 HG22 VAL 29 1HG2 VAL 29 1.340 -14.091 -11.900 236 HG23 VAL 29 2HG2 VAL 29 2.304 -13.370 -10.611 237 H GLY 30 H GLY 30 3.903 -18.186 -10.207 238 HA2 GLY 30 2HA GLY 30 6.713 -18.478 -10.004 239 HA3 GLY 30 3HA GLY 30 5.616 -19.631 -10.747 240 H LYS 31 H LYS 31 7.307 -16.597 -11.337 241 HA LYS 31 HA LYS 31 8.284 -17.042 -13.881 242 HB2 LYS 31 2HB LYS 31 5.949 -17.311 -14.617 243 HB3 LYS 31 3HB LYS 31 5.533 -15.748 -13.929 244 HG2 LYS 31 2HG LYS 31 7.095 -14.676 -15.542 245 HG3 LYS 31 3HG LYS 31 7.364 -16.258 -16.274 246 HD2 LYS 31 2HD LYS 31 4.693 -14.846 -16.070 247 HD3 LYS 31 3HD LYS 31 5.700 -14.925 -17.515 248 HE2 LYS 31 2HE LYS 31 5.468 -17.366 -17.549 249 HE3 LYS 31 3HE LYS 31 4.480 -17.296 -16.090 250 HZ1 LYS 31 3HZ LYS 31 3.788 -16.062 -18.700 251 HZ2 LYS 31 1HZ LYS 31 2.834 -16.017 -17.305 252 HZ3 LYS 31 2HZ LYS 31 3.128 -17.489 -18.082 253 H GLY 32 H GLY 32 6.737 -14.778 -11.691 254 HA2 GLY 32 2HA GLY 32 8.795 -13.042 -11.255 255 HA3 GLY 32 3HA GLY 32 8.047 -12.423 -12.720 256 H THR 33 H THR 33 6.912 -10.658 -12.138 257 HA THR 33 HA THR 33 4.903 -10.924 -9.994 258 HB THR 33 HB THR 33 5.304 -8.546 -9.340 259 HG1 THR 33 HG1 THR 33 6.392 -7.775 -11.167 260 HG21 THR 33 3HG2 THR 33 7.351 -8.950 -8.038 261 HG22 THR 33 1HG2 THR 33 7.700 -10.364 -9.033 262 HG23 THR 33 2HG2 THR 33 6.273 -10.345 -7.998 263 H SER 34 H SER 34 2.927 -10.126 -10.502 264 HA SER 34 HA SER 34 2.658 -8.555 -12.998 265 HB2 SER 34 2HB SER 34 1.823 -10.823 -13.371 266 HB3 SER 34 3HB SER 34 0.797 -10.708 -11.943 267 HG SER 34 HG SER 34 -0.595 -10.124 -13.454 268 HA PRO 35 HA PRO 35 0.771 -5.426 -10.416 269 HB2 PRO 35 2HB PRO 35 -0.741 -4.772 -12.908 270 HB3 PRO 35 3HB PRO 35 0.228 -3.720 -11.868 271 HG2 PRO 35 2HG PRO 35 1.167 -4.522 -14.229 272 HG3 PRO 35 3HG PRO 35 2.239 -4.417 -12.818 273 HD2 PRO 35 2HD PRO 35 0.996 -6.838 -14.079 274 HD3 PRO 35 3HD PRO 35 2.624 -6.632 -13.399 275 H LEU 36 H LEU 36 -0.636 -6.303 -8.975 276 HA LEU 36 HA LEU 36 -2.976 -7.780 -9.778 277 HB2 LEU 36 2HB LEU 36 -1.707 -8.338 -7.737 278 HB3 LEU 36 3HB LEU 36 -2.130 -6.779 -7.051 279 HG LEU 36 HG LEU 36 -4.556 -7.484 -7.183 280 HD11 LEU 36 1HD1 LEU 36 -4.346 -9.242 -8.847 281 HD12 LEU 36 2HD1 LEU 36 -5.026 -9.885 -7.353 282 HD13 LEU 36 3HD1 LEU 36 -3.336 -10.187 -7.754 283 HD21 LEU 36 3HD2 LEU 36 -2.697 -9.116 -5.450 284 HD22 LEU 36 1HD2 LEU 36 -4.428 -8.907 -5.180 285 HD23 LEU 36 2HD2 LEU 36 -3.350 -7.517 -5.082 286 H THR 37 H THR 37 -2.505 -4.745 -7.946 287 HA THR 37 HA THR 37 -5.173 -3.841 -8.865 288 HB THR 37 HB THR 37 -5.483 -2.627 -6.786 289 HG1 THR 37 HG1 THR 37 -3.869 -2.232 -5.474 290 HG21 THR 37 3HG2 THR 37 -5.667 -4.477 -5.192 291 HG22 THR 37 1HG2 THR 37 -4.614 -5.467 -6.204 292 HG23 THR 37 2HG2 THR 37 -6.202 -4.977 -6.795 293 H SER 38 H SER 38 -5.416 -1.442 -8.922 294 HA SER 38 HA SER 38 -2.993 -0.188 -9.984 295 HB2 SER 38 2HB SER 38 -5.111 -0.014 -11.267 296 HB3 SER 38 3HB SER 38 -5.830 0.880 -9.927 297 HG SER 38 HG SER 38 -4.829 2.100 -11.778 298 H TYR 39 H TYR 39 -2.692 2.217 -9.439 299 HA TYR 39 HA TYR 39 -2.267 2.427 -6.623 300 HB2 TYR 39 2HB TYR 39 -1.814 4.298 -8.934 301 HB3 TYR 39 3HB TYR 39 -1.594 4.847 -7.279 302 HD1 TYR 39 HD2 TYR 39 -0.053 3.314 -5.792 303 HD2 TYR 39 HD1 TYR 39 0.018 3.375 -10.050 304 HE1 TYR 39 HE2 TYR 39 2.227 2.401 -5.760 305 HE2 TYR 39 HE1 TYR 39 2.304 2.466 -10.028 306 HH TYR 39 HH TYR 39 4.283 2.464 -8.327 307 H PHE 40 H PHE 40 -3.974 2.649 -5.313 308 HA PHE 40 HA PHE 40 -6.204 4.381 -5.960 309 HB2 PHE 40 2HB PHE 40 -5.598 2.972 -3.347 310 HB3 PHE 40 3HB PHE 40 -7.142 3.660 -3.839 311 HD1 PHE 40 HD1 PHE 40 -8.135 2.696 -6.082 312 HD2 PHE 40 HD2 PHE 40 -5.241 0.706 -3.662 313 HE1 PHE 40 HE1 PHE 40 -8.779 0.538 -7.081 314 HE2 PHE 40 HE2 PHE 40 -5.884 -1.447 -4.657 315 HZ PHE 40 HZ PHE 40 -7.653 -1.533 -6.369 316 H PHE 41 H PHE 41 -6.032 6.532 -5.753 317 HA PHE 41 HA PHE 41 -3.958 7.731 -4.148 318 HB2 PHE 41 2HB PHE 41 -6.094 8.939 -5.915 319 HB3 PHE 41 3HB PHE 41 -4.881 9.891 -5.065 320 HD1 PHE 41 HD1 PHE 41 -5.414 7.404 -7.738 321 HD2 PHE 41 HD2 PHE 41 -2.626 10.021 -5.858 322 HE1 PHE 41 HE1 PHE 41 -3.850 7.083 -9.612 323 HE2 PHE 41 HE2 PHE 41 -1.061 9.700 -7.727 324 HZ PHE 41 HZ PHE 41 -1.671 8.231 -9.606 325 H TRP 42 H TRP 42 -4.107 8.371 -2.141 326 HA TRP 42 HA TRP 42 -6.720 9.126 -0.992 327 HB2 TRP 42 2HB TRP 42 -6.353 7.342 0.359 328 HB3 TRP 42 3HB TRP 42 -4.658 7.238 -0.078 329 HD1 TRP 42 HD1 TRP 42 -2.916 8.624 1.446 330 HE1 TRP 42 HE1 TRP 42 -3.053 9.391 3.887 331 HE3 TRP 42 HE3 TRP 42 -7.971 8.188 2.154 332 HZ2 TRP 42 HZ2 TRP 42 -5.028 9.765 5.863 333 HZ3 TRP 42 HZ3 TRP 42 -8.898 8.768 4.361 334 HH2 TRP 42 HH2 TRP 42 -7.453 9.540 6.175 335 HA PRO 43 HA PRO 43 -7.407 10.079 0.888 336 HB2 PRO 43 2HB PRO 43 -8.440 12.368 1.772 337 HB3 PRO 43 3HB PRO 43 -7.069 11.619 2.602 338 HG2 PRO 43 2HG PRO 43 -7.090 13.921 0.682 339 HG3 PRO 43 3HG PRO 43 -6.177 13.731 2.190 340 HD2 PRO 43 2HD PRO 43 -5.173 13.244 -0.360 341 HD3 PRO 43 3HD PRO 43 -4.487 12.601 1.144 342 H ARG 44 H ARG 44 -6.831 11.265 -2.006 343 HA ARG 44 HA ARG 44 -9.114 12.572 -2.926 344 HB2 ARG 44 2HB ARG 44 -7.263 10.615 -4.290 345 HB3 ARG 44 3HB ARG 44 -8.575 11.415 -5.143 346 HG2 ARG 44 2HG ARG 44 -6.332 12.844 -3.720 347 HG3 ARG 44 3HG ARG 44 -6.394 12.524 -5.455 348 HD2 ARG 44 2HD ARG 44 -8.490 13.818 -5.600 349 HD3 ARG 44 3HD ARG 44 -8.376 14.173 -3.876 350 HE ARG 44 HE ARG 44 -6.051 15.121 -4.737 351 HH11 ARG 44 1HH1 ARG 44 -9.217 15.499 -6.034 352 HH12 ARG 44 2HH1 ARG 44 -8.882 17.061 -6.688 353 HH21 ARG 44 1HH2 ARG 44 -5.622 17.105 -5.585 354 HH22 ARG 44 2HH2 ARG 44 -6.849 17.958 -6.457 355 H ALA 45 H ALA 45 -8.572 9.144 -2.375 356 HA ALA 45 HA ALA 45 -11.449 8.711 -2.235 357 HB1 ALA 45 3HB ALA 45 -11.380 6.741 -3.703 358 HB2 ALA 45 1HB ALA 45 -9.690 7.081 -4.080 359 HB3 ALA 45 2HB ALA 45 -10.950 8.213 -4.575 360 H ASP 46 H ASP 46 -11.918 6.475 -1.352 361 HA ASP 46 HA ASP 46 -10.275 5.972 0.914 362 HB2 ASP 46 2HB ASP 46 -12.626 4.473 -0.261 363 HB3 ASP 46 3HB ASP 46 -11.831 3.999 1.241 364 H ALA 47 H ALA 47 -8.229 5.547 0.042 365 HA ALA 47 HA ALA 47 -7.582 3.663 -1.904 366 HB1 ALA 47 3HB ALA 47 -5.296 3.807 -1.064 367 HB2 ALA 47 1HB ALA 47 -5.877 4.569 0.418 368 HB3 ALA 47 2HB ALA 47 -6.044 5.402 -1.127 369 H TRP 48 H TRP 48 -7.495 3.247 1.648 370 HA TRP 48 HA TRP 48 -6.620 0.557 1.565 371 HB2 TRP 48 2HB TRP 48 -6.457 2.138 3.539 372 HB3 TRP 48 3HB TRP 48 -8.172 1.853 3.819 373 HD1 TRP 48 HD1 TRP 48 -4.823 -0.074 3.782 374 HE1 TRP 48 HE1 TRP 48 -5.036 -2.090 5.359 375 HE3 TRP 48 HE3 TRP 48 -9.773 0.362 5.001 376 HZ2 TRP 48 HZ2 TRP 48 -7.037 -3.342 6.916 377 HZ3 TRP 48 HZ3 TRP 48 -10.755 -1.286 6.544 378 HH2 TRP 48 HH2 TRP 48 -9.414 -3.097 7.481 379 H GLN 49 H GLN 49 -9.860 1.989 1.877 380 HA GLN 49 HA GLN 49 -11.311 -0.395 2.179 381 HB2 GLN 49 2HB GLN 49 -12.301 1.790 2.612 382 HB3 GLN 49 3HB GLN 49 -12.153 2.221 0.916 383 HG2 GLN 49 2HG GLN 49 -14.440 1.628 1.469 384 HG3 GLN 49 3HG GLN 49 -13.756 0.486 0.316 385 HE21 GLN 49 1HE2 GLN 49 -13.036 0.453 3.750 386 HE22 GLN 49 2HE2 GLN 49 -13.849 -1.032 4.086 387 H GLN 50 H GLN 50 -10.399 1.362 -0.797 388 HA GLN 50 HA GLN 50 -11.662 -0.465 -2.576 389 HB2 GLN 50 2HB GLN 50 -9.398 1.492 -3.018 390 HB3 GLN 50 3HB GLN 50 -10.151 0.564 -4.309 391 HG2 GLN 50 2HG GLN 50 -12.303 1.631 -3.824 392 HG3 GLN 50 3HG GLN 50 -11.550 2.556 -2.526 393 HE21 GLN 50 1HE2 GLN 50 -10.145 4.227 -3.044 394 HE22 GLN 50 2HE2 GLN 50 -10.076 4.913 -4.626 395 H LEU 51 H LEU 51 -8.397 -0.319 -1.201 396 HA LEU 51 HA LEU 51 -7.247 -2.373 -2.744 397 HB2 LEU 51 2HB LEU 51 -5.947 -0.807 -1.351 398 HB3 LEU 51 3HB LEU 51 -6.588 -1.567 0.093 399 HG LEU 51 HG LEU 51 -5.448 -3.662 -0.472 400 HD11 LEU 51 1HD1 LEU 51 -3.877 -3.773 -2.340 401 HD12 LEU 51 2HD1 LEU 51 -4.367 -2.160 -2.858 402 HD13 LEU 51 3HD1 LEU 51 -5.524 -3.490 -2.902 403 HD21 LEU 51 3HD2 LEU 51 -3.127 -2.903 -0.157 404 HD22 LEU 51 1HD2 LEU 51 -4.253 -2.059 0.907 405 HD23 LEU 51 2HD2 LEU 51 -3.626 -1.251 -0.529 406 H LYS 52 H LYS 52 -8.689 -2.566 0.545 407 HA LYS 52 HA LYS 52 -8.519 -5.369 0.772 408 HB2 LYS 52 2HB LYS 52 -10.134 -5.198 2.581 409 HB3 LYS 52 3HB LYS 52 -8.973 -3.882 2.694 410 HG2 LYS 52 2HG LYS 52 -10.628 -2.370 1.659 411 HG3 LYS 52 3HG LYS 52 -11.790 -3.697 1.631 412 HD2 LYS 52 2HD LYS 52 -10.500 -2.563 4.121 413 HD3 LYS 52 3HD LYS 52 -12.117 -2.161 3.547 414 HE2 LYS 52 2HE LYS 52 -11.190 -4.929 4.331 415 HE3 LYS 52 3HE LYS 52 -12.126 -3.844 5.358 416 HZ1 LYS 52 3HZ LYS 52 -13.578 -5.411 4.293 417 HZ2 LYS 52 1HZ LYS 52 -13.006 -4.986 2.760 418 HZ3 LYS 52 2HZ LYS 52 -13.889 -3.872 3.672 419 H ASP 53 H ASP 53 -11.023 -3.290 -0.612 420 HA ASP 53 HA ASP 53 -13.009 -5.192 -1.087 421 HB2 ASP 53 2HB ASP 53 -13.397 -2.802 -1.346 422 HB3 ASP 53 3HB ASP 53 -12.266 -2.735 -2.694 423 H GLU 54 H GLU 54 -10.356 -4.161 -3.257 424 HA GLU 54 HA GLU 54 -10.833 -5.919 -5.377 425 HB2 GLU 54 2HB GLU 54 -8.253 -4.762 -4.302 426 HB3 GLU 54 3HB GLU 54 -8.318 -5.721 -5.773 427 HG2 GLU 54 2HG GLU 54 -9.895 -3.186 -5.357 428 HG3 GLU 54 3HG GLU 54 -8.304 -3.243 -6.114 429 H LEU 55 H LEU 55 -8.850 -6.394 -2.467 430 HA LEU 55 HA LEU 55 -7.876 -8.962 -3.113 431 HB2 LEU 55 2HB LEU 55 -8.272 -7.674 -0.406 432 HB3 LEU 55 3HB LEU 55 -7.300 -9.105 -0.710 433 HG LEU 55 HG LEU 55 -6.739 -6.378 -1.904 434 HD11 LEU 55 1HD1 LEU 55 -6.446 -6.323 0.514 435 HD12 LEU 55 2HD1 LEU 55 -4.891 -6.243 -0.312 436 HD13 LEU 55 3HD1 LEU 55 -5.415 -7.752 0.436 437 HD21 LEU 55 3HD2 LEU 55 -5.911 -8.233 -3.260 438 HD22 LEU 55 1HD2 LEU 55 -5.089 -8.910 -1.854 439 HD23 LEU 55 2HD2 LEU 55 -4.578 -7.355 -2.513 440 H GLU 56 H GLU 56 -10.729 -7.946 -1.259 441 HA GLU 56 HA GLU 56 -11.517 -10.626 -0.581 442 HB2 GLU 56 2HB GLU 56 -13.078 -8.034 -0.455 443 HB3 GLU 56 3HB GLU 56 -13.596 -9.563 0.247 444 HG2 GLU 56 2HG GLU 56 -11.651 -9.549 1.724 445 HG3 GLU 56 3HG GLU 56 -11.118 -8.026 1.018 446 H ALA 57 H ALA 57 -12.170 -8.449 -3.235 447 HA ALA 57 HA ALA 57 -14.374 -9.880 -4.354 448 HB1 ALA 57 3HB ALA 57 -12.374 -8.032 -5.666 449 HB2 ALA 57 1HB ALA 57 -13.936 -7.574 -4.986 450 HB3 ALA 57 2HB ALA 57 -13.865 -8.610 -6.412 451 H LYS 58 H LYS 58 -10.870 -9.975 -4.847 452 HA LYS 58 HA LYS 58 -11.005 -12.196 -6.706 453 HB2 LYS 58 2HB LYS 58 -8.597 -11.030 -5.279 454 HB3 LYS 58 3HB LYS 58 -8.570 -12.093 -6.681 455 HG2 LYS 58 2HG LYS 58 -9.496 -10.382 -8.082 456 HG3 LYS 58 3HG LYS 58 -9.800 -9.339 -6.690 457 HD2 LYS 58 2HD LYS 58 -7.359 -9.228 -6.284 458 HD3 LYS 58 3HD LYS 58 -7.089 -10.193 -7.736 459 HE2 LYS 58 2HE LYS 58 -8.409 -7.473 -7.627 460 HE3 LYS 58 3HE LYS 58 -6.763 -7.802 -8.166 461 HZ1 LYS 58 3HZ LYS 58 -8.287 -7.552 -10.024 462 HZ2 LYS 58 1HZ LYS 58 -9.235 -8.829 -9.453 463 HZ3 LYS 58 2HZ LYS 58 -7.654 -9.121 -9.978 464 H HIS 59 H HIS 59 -11.988 -13.901 -5.571 465 HA HIS 59 HA HIS 59 -11.414 -14.485 -2.850 466 HB2 HIS 59 2HB HIS 59 -12.868 -16.094 -4.956 467 HB3 HIS 59 3HB HIS 59 -12.783 -16.552 -3.258 468 HD1 HIS 59 HD1 HIS 59 -14.309 -15.309 -1.622 469 HD2 HIS 59 HD2 HIS 59 -14.482 -13.817 -5.497 470 HE1 HIS 59 HE1 HIS 59 -16.260 -13.734 -1.647 471 HE2 HIS 59 HE2 HIS 59 -16.451 -12.978 -4.040 472 H TRP 60 H TRP 60 -9.457 -15.099 -5.468 473 HA TRP 60 HA TRP 60 -8.431 -17.645 -4.493 474 HB2 TRP 60 2HB TRP 60 -6.805 -17.481 -6.354 475 HB3 TRP 60 3HB TRP 60 -8.474 -17.361 -6.895 476 HD1 TRP 60 HD1 TRP 60 -9.299 -14.892 -7.738 477 HE1 TRP 60 HE1 TRP 60 -7.954 -12.941 -8.743 478 HE3 TRP 60 HE3 TRP 60 -4.601 -16.298 -6.278 479 HZ2 TRP 60 HZ2 TRP 60 -5.266 -12.111 -8.901 480 HZ3 TRP 60 HZ3 TRP 60 -2.699 -14.867 -6.905 481 HH2 TRP 60 HH2 TRP 60 -3.025 -12.820 -8.188 482 H ILE 61 H ILE 61 -8.018 -14.460 -3.622 483 HA ILE 61 HA ILE 61 -5.261 -14.604 -2.766 484 HB ILE 61 HB ILE 61 -7.504 -12.644 -2.287 485 HG12 ILE 61 2HG1 ILE 61 -5.934 -11.041 -3.298 486 HG13 ILE 61 3HG1 ILE 61 -4.705 -12.295 -3.397 487 HG21 ILE 61 1HG2 ILE 61 -4.834 -12.577 -0.874 488 HG22 ILE 61 2HG2 ILE 61 -6.405 -12.852 -0.119 489 HG23 ILE 61 3HG2 ILE 61 -6.045 -11.291 -0.854 490 HD11 ILE 61 3HD1 ILE 61 -5.798 -11.837 -5.537 491 HD12 ILE 61 1HD1 ILE 61 -7.336 -12.343 -4.842 492 HD13 ILE 61 2HD1 ILE 61 -6.020 -13.504 -5.007 493 H ALA 62 H ALA 62 -4.487 -15.191 -0.753 494 HA ALA 62 HA ALA 62 -6.304 -16.508 1.096 495 HB1 ALA 62 3HB ALA 62 -4.136 -17.526 0.653 496 HB2 ALA 62 1HB ALA 62 -4.263 -17.070 2.353 497 HB3 ALA 62 2HB ALA 62 -3.315 -16.081 1.242 498 H GLU 63 H GLU 63 -6.983 -15.702 3.063 499 HA GLU 63 HA GLU 63 -7.194 -12.934 3.341 500 HB2 GLU 63 2HB GLU 63 -8.774 -14.517 4.360 501 HB3 GLU 63 3HB GLU 63 -7.538 -15.016 5.511 502 HG2 GLU 63 2HG GLU 63 -7.497 -12.820 6.496 503 HG3 GLU 63 3HG GLU 63 -8.592 -12.202 5.262 504 H ALA 64 H ALA 64 -5.019 -15.161 5.094 505 HA ALA 64 HA ALA 64 -3.773 -13.385 6.803 506 HB1 ALA 64 3HB ALA 64 -3.338 -15.798 6.778 507 HB2 ALA 64 1HB ALA 64 -1.842 -14.866 6.756 508 HB3 ALA 64 2HB ALA 64 -2.433 -15.618 5.274 509 H ASP 65 H ASP 65 -2.910 -14.045 3.409 510 HA ASP 65 HA ASP 65 -0.760 -12.225 3.247 511 HB2 ASP 65 2HB ASP 65 -2.573 -13.329 1.087 512 HB3 ASP 65 3HB ASP 65 -1.096 -12.422 0.774 513 H ARG 66 H ARG 66 -4.225 -11.831 2.428 514 HA ARG 66 HA ARG 66 -3.972 -9.207 1.414 515 HB2 ARG 66 2HB ARG 66 -6.272 -9.135 1.275 516 HB3 ARG 66 3HB ARG 66 -6.009 -10.869 1.321 517 HG2 ARG 66 2HG ARG 66 -6.557 -10.888 3.711 518 HG3 ARG 66 3HG ARG 66 -6.815 -9.144 3.664 519 HD2 ARG 66 2HD ARG 66 -8.589 -9.529 1.939 520 HD3 ARG 66 3HD ARG 66 -8.392 -11.262 2.203 521 HE ARG 66 HE ARG 66 -8.943 -9.786 4.603 522 HH11 ARG 66 1HH1 ARG 66 -10.345 -11.410 1.903 523 HH12 ARG 66 2HH1 ARG 66 -11.862 -11.636 2.703 524 HH21 ARG 66 1HH2 ARG 66 -10.915 -10.077 5.594 525 HH22 ARG 66 2HH2 ARG 66 -12.185 -10.879 4.735 526 H ILE 67 H ILE 67 -4.534 -10.420 4.683 527 HA ILE 67 HA ILE 67 -4.902 -7.908 5.934 528 HB ILE 67 HB ILE 67 -3.887 -10.521 7.073 529 HG12 ILE 67 2HG1 ILE 67 -6.156 -10.679 6.195 530 HG13 ILE 67 3HG1 ILE 67 -6.190 -10.734 7.954 531 HG21 ILE 67 1HG2 ILE 67 -4.822 -8.057 8.550 532 HG22 ILE 67 2HG2 ILE 67 -3.171 -8.678 8.494 533 HG23 ILE 67 3HG2 ILE 67 -4.439 -9.615 9.282 534 HD11 ILE 67 3HD1 ILE 67 -7.999 -9.374 7.082 535 HD12 ILE 67 1HD1 ILE 67 -6.844 -8.337 6.247 536 HD13 ILE 67 2HD1 ILE 67 -6.873 -8.383 8.010 537 H ASN 68 H ASN 68 -2.024 -9.883 5.319 538 HA ASN 68 HA ASN 68 -0.115 -8.385 6.678 539 HB2 ASN 68 2HB ASN 68 0.384 -10.566 5.735 540 HB3 ASN 68 3HB ASN 68 0.150 -9.955 4.101 541 HD21 ASN 68 1HD2 ASN 68 1.787 -8.885 3.110 542 HD22 ASN 68 2HD2 ASN 68 3.358 -8.677 3.799 543 H VAL 69 H VAL 69 -1.046 -8.064 3.220 544 HA VAL 69 HA VAL 69 0.543 -5.751 2.791 545 HB VAL 69 HB VAL 69 -0.701 -5.432 0.693 546 HG11 VAL 69 1HG1 VAL 69 -0.116 -7.559 -0.367 547 HG12 VAL 69 2HG1 VAL 69 0.029 -8.316 1.220 548 HG13 VAL 69 3HG1 VAL 69 1.141 -7.030 0.751 549 HG21 VAL 69 3HG2 VAL 69 -2.496 -6.951 0.045 550 HG22 VAL 69 1HG2 VAL 69 -2.938 -6.045 1.491 551 HG23 VAL 69 2HG2 VAL 69 -2.430 -7.728 1.628 552 H LEU 70 H LEU 70 -2.812 -6.143 3.852 553 HA LEU 70 HA LEU 70 -3.532 -3.404 3.646 554 HB2 LEU 70 2HB LEU 70 -4.636 -5.647 5.334 555 HB3 LEU 70 3HB LEU 70 -5.318 -4.031 5.344 556 HG LEU 70 HG LEU 70 -5.144 -5.840 2.925 557 HD11 LEU 70 1HD1 LEU 70 -7.517 -5.062 4.622 558 HD12 LEU 70 2HD1 LEU 70 -6.748 -6.649 4.577 559 HD13 LEU 70 3HD1 LEU 70 -7.569 -6.028 3.145 560 HD21 LEU 70 3HD2 LEU 70 -6.560 -4.159 1.834 561 HD22 LEU 70 1HD2 LEU 70 -5.005 -3.481 2.313 562 HD23 LEU 70 2HD2 LEU 70 -6.449 -3.134 3.264 563 H ASN 71 H ASN 71 -1.997 -5.276 6.236 564 HA ASN 71 HA ASN 71 -2.145 -3.283 8.244 565 HB2 ASN 71 2HB ASN 71 -0.256 -5.614 7.853 566 HB3 ASN 71 3HB ASN 71 -0.178 -4.555 9.257 567 HD21 ASN 71 1HD2 ASN 71 -0.772 -7.404 9.103 568 HD22 ASN 71 2HD2 ASN 71 -2.326 -7.602 9.829 569 H GLN 72 H GLN 72 0.576 -4.167 6.082 570 HA GLN 72 HA GLN 72 2.261 -2.058 6.891 571 HB2 GLN 72 2HB GLN 72 3.529 -2.529 4.803 572 HB3 GLN 72 3HB GLN 72 3.182 -3.969 5.748 573 HG2 GLN 72 2HG GLN 72 1.285 -4.454 4.227 574 HG3 GLN 72 3HG GLN 72 1.766 -3.073 3.246 575 HE21 GLN 72 1HE2 GLN 72 4.072 -5.207 4.798 576 HE22 GLN 72 2HE2 GLN 72 4.651 -5.931 3.345 577 H ALA 73 H ALA 73 -0.132 -2.246 4.260 578 HA ALA 73 HA ALA 73 0.310 0.256 3.088 579 HB1 ALA 73 3HB ALA 73 -2.351 -1.138 3.421 580 HB2 ALA 73 1HB ALA 73 -1.185 -1.457 2.137 581 HB3 ALA 73 2HB ALA 73 -1.966 0.119 2.247 582 H THR 74 H THR 74 -1.872 -0.609 5.777 583 HA THR 74 HA THR 74 -2.855 1.942 6.357 584 HB THR 74 HB THR 74 -2.316 -0.331 8.294 585 HG1 THR 74 HG1 THR 74 -3.873 -1.117 7.051 586 HG21 THR 74 3HG2 THR 74 -4.019 0.752 9.724 587 HG22 THR 74 1HG2 THR 74 -4.066 2.120 8.612 588 HG23 THR 74 2HG2 THR 74 -2.593 1.768 9.517 589 H GLU 75 H GLU 75 0.083 0.325 7.575 590 HA GLU 75 HA GLU 75 0.920 2.372 9.309 591 HB2 GLU 75 2HB GLU 75 2.590 0.367 7.776 592 HB3 GLU 75 3HB GLU 75 3.195 1.383 9.078 593 HG2 GLU 75 2HG GLU 75 1.457 0.332 10.566 594 HG3 GLU 75 3HG GLU 75 1.141 -0.808 9.260 595 H VAL 76 H VAL 76 1.488 1.920 5.835 596 HA VAL 76 HA VAL 76 3.228 4.122 5.461 597 HB VAL 76 HB VAL 76 1.268 2.905 3.489 598 HG11 VAL 76 1HG1 VAL 76 3.624 4.744 3.003 599 HG12 VAL 76 2HG1 VAL 76 1.919 5.151 2.796 600 HG13 VAL 76 3HG1 VAL 76 2.669 3.946 1.752 601 HG21 VAL 76 3HG2 VAL 76 3.231 1.697 2.624 602 HG22 VAL 76 1HG2 VAL 76 2.914 1.289 4.310 603 HG23 VAL 76 2HG2 VAL 76 4.225 2.395 3.903 604 H ILE 77 H ILE 77 -0.313 3.860 5.197 605 HA ILE 77 HA ILE 77 -0.883 6.505 4.473 606 HB ILE 77 HB ILE 77 -2.543 4.586 6.128 607 HG12 ILE 77 2HG1 ILE 77 -2.620 5.250 3.166 608 HG13 ILE 77 3HG1 ILE 77 -1.968 3.771 3.865 609 HG21 ILE 77 1HG2 ILE 77 -3.317 6.868 6.488 610 HG22 ILE 77 2HG2 ILE 77 -4.480 5.974 5.509 611 HG23 ILE 77 3HG2 ILE 77 -3.393 7.137 4.747 612 HD11 ILE 77 3HD1 ILE 77 -4.205 3.209 4.706 613 HD12 ILE 77 1HD1 ILE 77 -4.167 3.387 2.952 614 HD13 ILE 77 2HD1 ILE 77 -4.839 4.673 3.953 615 H ASN 78 H ASN 78 -0.759 5.057 7.734 616 HA ASN 78 HA ASN 78 -1.248 7.445 9.160 617 HB2 ASN 78 2HB ASN 78 0.169 4.905 9.995 618 HB3 ASN 78 3HB ASN 78 -0.266 6.200 11.106 619 HD21 ASN 78 1HD2 ASN 78 -1.144 3.408 11.023 620 HD22 ASN 78 2HD2 ASN 78 -2.867 3.462 10.903 621 H PHE 79 H PHE 79 1.770 5.943 8.061 622 HA PHE 79 HA PHE 79 3.586 7.682 9.328 623 HB2 PHE 79 2HB PHE 79 4.194 5.536 8.222 624 HB3 PHE 79 3HB PHE 79 3.883 6.274 6.657 625 HD1 PHE 79 HD2 PHE 79 5.936 6.834 9.728 626 HD2 PHE 79 HD1 PHE 79 5.678 7.146 5.484 627 HE1 PHE 79 HE2 PHE 79 8.273 7.590 9.641 628 HE2 PHE 79 HE1 PHE 79 8.019 7.905 5.396 629 HZ PHE 79 HZ PHE 79 9.317 8.124 7.478 630 H TRP 80 H TRP 80 2.267 7.787 6.021 631 HA TRP 80 HA TRP 80 3.278 10.223 5.159 632 HB2 TRP 80 2HB TRP 80 2.144 8.712 3.652 633 HB3 TRP 80 3HB TRP 80 0.644 8.852 4.559 634 HD1 TRP 80 HD1 TRP 80 2.803 10.781 2.031 635 HE1 TRP 80 HE1 TRP 80 1.339 12.593 0.932 636 HE3 TRP 80 HE3 TRP 80 -1.383 10.329 4.935 637 HZ2 TRP 80 HZ2 TRP 80 -1.238 13.687 1.251 638 HZ3 TRP 80 HZ3 TRP 80 -3.304 11.799 4.471 639 HH2 TRP 80 HH2 TRP 80 -3.230 13.443 2.668 640 H GLN 81 H GLN 81 0.338 9.569 7.040 641 HA GLN 81 HA GLN 81 -0.610 12.244 7.064 642 HB2 GLN 81 2HB GLN 81 -1.955 10.143 7.529 643 HB3 GLN 81 3HB GLN 81 -1.214 10.110 9.123 644 HG2 GLN 81 2HG GLN 81 -2.201 12.254 9.670 645 HG3 GLN 81 3HG GLN 81 -2.871 12.387 8.045 646 HE21 GLN 81 1HE2 GLN 81 -4.282 12.427 10.551 647 HE22 GLN 81 2HE2 GLN 81 -5.392 11.102 10.520 648 H ASP 82 H ASP 82 1.452 10.407 9.294 649 HA ASP 82 HA ASP 82 1.679 12.318 11.338 650 HB2 ASP 82 2HB ASP 82 2.490 9.994 11.543 651 HB3 ASP 82 3HB ASP 82 3.768 10.335 10.381 652 H LEU 83 H LEU 83 3.682 11.815 8.440 653 HA LEU 83 HA LEU 83 5.425 14.001 8.856 654 HB2 LEU 83 2HB LEU 83 4.619 12.893 6.164 655 HB3 LEU 83 3HB LEU 83 6.118 13.702 6.583 656 HG LEU 83 HG LEU 83 5.244 10.932 7.407 657 HD11 LEU 83 1HD1 LEU 83 7.565 11.907 5.746 658 HD12 LEU 83 2HD1 LEU 83 6.123 11.082 5.152 659 HD13 LEU 83 3HD1 LEU 83 7.255 10.232 6.202 660 HD21 LEU 83 3HD2 LEU 83 7.714 12.431 8.286 661 HD22 LEU 83 1HD2 LEU 83 7.344 10.741 8.632 662 HD23 LEU 83 2HD2 LEU 83 6.336 12.022 9.311 663 H LYS 84 H LYS 84 2.330 13.702 7.214 664 HA LYS 84 HA LYS 84 2.142 16.205 5.989 665 HB2 LYS 84 2HB LYS 84 0.584 14.324 5.598 666 HB3 LYS 84 3HB LYS 84 -0.073 14.534 7.215 667 HG2 LYS 84 2HG LYS 84 -1.569 15.517 5.601 668 HG3 LYS 84 3HG LYS 84 -0.846 16.794 6.580 669 HD2 LYS 84 2HD LYS 84 -0.918 17.415 4.211 670 HD3 LYS 84 3HD LYS 84 0.743 17.286 4.789 671 HE2 LYS 84 2HE LYS 84 0.891 15.031 3.797 672 HE3 LYS 84 3HE LYS 84 -0.760 15.200 3.202 673 HZ1 LYS 84 3HZ LYS 84 1.537 16.915 2.433 674 HZ2 LYS 84 1HZ LYS 84 -0.048 17.073 1.860 675 HZ3 LYS 84 2HZ LYS 84 0.851 15.691 1.487 676 H ASN 85 H ASN 85 1.173 15.216 9.262 677 HA ASN 85 HA ASN 85 0.097 17.707 10.072 678 HB2 ASN 85 2HB ASN 85 1.294 15.483 11.748 679 HB3 ASN 85 3HB ASN 85 0.318 16.807 12.374 680 HD21 ASN 85 1HD2 ASN 85 -0.119 13.918 12.444 681 HD22 ASN 85 2HD2 ASN 85 -1.669 13.667 11.720 682 H GLN 86 H GLN 86 3.360 16.368 10.241 683 HA GLN 86 HA GLN 86 4.279 18.709 11.772 684 HB2 GLN 86 2HB GLN 86 5.542 16.007 11.314 685 HB3 GLN 86 3HB GLN 86 6.278 17.303 12.249 686 HG2 GLN 86 2HG GLN 86 4.590 17.198 13.906 687 HG3 GLN 86 3HG GLN 86 3.569 16.168 12.901 688 HE21 GLN 86 1HE2 GLN 86 4.117 14.004 12.641 689 HE22 GLN 86 2HE2 GLN 86 5.182 13.194 13.734 690 H ASN 87 H ASN 87 4.114 17.864 8.597 691 HA ASN 87 HA ASN 87 5.097 18.622 6.692 692 HB2 ASN 87 2HB ASN 87 6.245 20.720 8.558 693 HB3 ASN 87 3HB ASN 87 6.197 20.831 6.798 694 HD21 ASN 87 1HD2 ASN 87 4.276 20.826 9.712 695 HD22 ASN 87 2HD2 ASN 87 2.851 21.494 9.005 696 H LYS 88 H LYS 88 6.450 16.543 8.069 697 HA LYS 88 HA LYS 88 9.274 17.026 8.128 698 HB2 LYS 88 2HB LYS 88 7.712 14.440 8.116 699 HB3 LYS 88 3HB LYS 88 9.447 14.552 8.362 700 HG2 LYS 88 2HG LYS 88 9.119 15.794 10.413 701 HG3 LYS 88 3HG LYS 88 7.371 15.812 10.154 702 HD2 LYS 88 2HD LYS 88 7.334 13.359 10.284 703 HD3 LYS 88 3HD LYS 88 9.078 13.343 10.544 704 HE2 LYS 88 2HE LYS 88 8.809 14.506 12.645 705 HE3 LYS 88 3HE LYS 88 7.078 14.685 12.361 706 HZ1 LYS 88 3HZ LYS 88 8.502 12.101 12.686 707 HZ2 LYS 88 1HZ LYS 88 6.835 12.293 12.456 708 HZ3 LYS 88 2HZ LYS 88 7.568 12.859 13.873 709 H GLN 89 H GLN 89 9.989 17.749 6.109 710 HA GLN 89 HA GLN 89 9.528 16.165 3.729 711 HB2 GLN 89 2HB GLN 89 11.460 18.455 4.179 712 HB3 GLN 89 3HB GLN 89 11.031 17.761 2.621 713 HG2 GLN 89 2HG GLN 89 8.706 18.494 2.948 714 HG3 GLN 89 3HG GLN 89 9.162 19.214 4.492 715 HE21 GLN 89 1HE2 GLN 89 8.595 21.272 3.860 716 HE22 GLN 89 2HE2 GLN 89 9.501 22.178 2.700 717 H ILE 90 H ILE 90 10.340 14.141 4.626 718 HA ILE 90 HA ILE 90 13.170 13.968 5.276 719 HB ILE 90 HB ILE 90 12.731 11.610 5.791 720 HG12 ILE 90 2HG1 ILE 90 9.852 12.196 5.025 721 HG13 ILE 90 3HG1 ILE 90 10.972 11.244 4.056 722 HG21 ILE 90 1HG2 ILE 90 12.395 13.322 7.505 723 HG22 ILE 90 2HG2 ILE 90 11.286 11.972 7.721 724 HG23 ILE 90 3HG2 ILE 90 10.705 13.483 7.023 725 HD11 ILE 90 3HD1 ILE 90 9.463 9.831 5.331 726 HD12 ILE 90 1HD1 ILE 90 10.029 10.560 6.833 727 HD13 ILE 90 2HD1 ILE 90 11.134 9.600 5.847 728 H SER 91 H SER 91 14.244 11.838 4.439 729 HA SER 91 HA SER 91 14.349 12.017 1.532 730 HB2 SER 91 2HB SER 91 16.019 10.368 3.455 731 HB3 SER 91 3HB SER 91 16.355 10.607 1.740 732 HG SER 91 HG SER 91 16.063 12.859 3.401 733 H MET 92 H MET 92 13.651 10.430 0.111 734 HA MET 92 HA MET 92 11.714 8.578 0.938 735 HB2 MET 92 2HB MET 92 11.806 7.641 -1.319 736 HB3 MET 92 3HB MET 92 11.823 9.395 -1.368 737 HG2 MET 92 2HG MET 92 14.228 9.367 -1.776 738 HG3 MET 92 3HG MET 92 14.223 7.605 -1.708 739 HE1 MET 92 3HE MET 92 11.481 6.908 -3.216 740 HE2 MET 92 1HE MET 92 12.994 6.053 -3.521 741 HE3 MET 92 2HE MET 92 12.053 6.693 -4.870 742 H ALA 93 H ALA 93 15.169 8.278 0.826 743 HA ALA 93 HA ALA 93 15.483 5.502 0.977 744 HB1 ALA 93 3HB ALA 93 17.114 7.625 2.379 745 HB2 ALA 93 1HB ALA 93 17.350 7.072 0.719 746 HB3 ALA 93 2HB ALA 93 17.618 5.964 2.065 747 H GLU 94 H GLU 94 14.664 7.847 3.515 748 HA GLU 94 HA GLU 94 14.775 6.117 5.732 749 HB2 GLU 94 2HB GLU 94 13.027 8.544 5.246 750 HB3 GLU 94 3HB GLU 94 13.208 7.749 6.804 751 HG2 GLU 94 2HG GLU 94 15.572 8.292 6.840 752 HG3 GLU 94 3HG GLU 94 15.446 9.019 5.240 753 H ALA 95 H ALA 95 12.054 6.962 3.593 754 HA ALA 95 HA ALA 95 10.093 5.326 4.735 755 HB1 ALA 95 3HB ALA 95 9.634 7.045 3.037 756 HB2 ALA 95 1HB ALA 95 8.934 5.486 2.598 757 HB3 ALA 95 2HB ALA 95 10.415 6.040 1.815 758 H GLN 96 H GLN 96 12.614 4.558 2.373 759 HA GLN 96 HA GLN 96 11.800 1.881 1.853 760 HB2 GLN 96 2HB GLN 96 14.450 3.299 1.520 761 HB3 GLN 96 3HB GLN 96 14.193 1.631 1.023 762 HG2 GLN 96 2HG GLN 96 12.601 3.978 -0.000 763 HG3 GLN 96 3HG GLN 96 13.998 3.283 -0.821 764 HE21 GLN 96 1HE2 GLN 96 10.695 2.749 0.144 765 HE22 GLN 96 2HE2 GLN 96 10.396 1.412 -0.905 766 H GLY 97 H GLY 97 13.979 3.321 4.244 767 HA2 GLY 97 2HA GLY 97 14.930 0.849 5.318 768 HA3 GLY 97 3HA GLY 97 15.026 2.422 6.093 769 H LYS 98 H LYS 98 12.216 2.957 6.091 770 HA LYS 98 HA LYS 98 11.406 1.537 8.440 771 HB2 LYS 98 2HB LYS 98 10.863 3.980 7.677 772 HB3 LYS 98 3HB LYS 98 9.563 3.236 6.761 773 HG2 LYS 98 2HG LYS 98 9.916 2.957 9.746 774 HG3 LYS 98 3HG LYS 98 8.885 4.158 8.972 775 HD2 LYS 98 2HD LYS 98 7.602 2.298 7.922 776 HD3 LYS 98 3HD LYS 98 8.586 1.152 8.832 777 HE2 LYS 98 2HE LYS 98 6.811 3.288 10.024 778 HE3 LYS 98 3HE LYS 98 6.422 1.572 9.917 779 HZ1 LYS 98 3HZ LYS 98 8.654 2.771 11.468 780 HZ2 LYS 98 1HZ LYS 98 8.358 1.111 11.323 781 HZ3 LYS 98 2HZ LYS 98 7.235 2.106 12.101 782 H PHE 99 H PHE 99 10.360 1.526 5.040 783 HA PHE 99 HA PHE 99 8.861 -0.973 5.543 784 HB2 PHE 99 2HB PHE 99 8.427 1.035 3.309 785 HB3 PHE 99 3HB PHE 99 7.472 -0.412 3.608 786 HD1 PHE 99 HD2 PHE 99 6.130 -0.554 5.752 787 HD2 PHE 99 HD1 PHE 99 7.901 3.068 4.370 788 HE1 PHE 99 HE2 PHE 99 4.612 0.738 7.197 789 HE2 PHE 99 HE1 PHE 99 6.384 4.364 5.812 790 HZ PHE 99 HZ PHE 99 4.737 3.197 7.226 791 HA PRO 100 HA PRO 100 12.557 -2.059 2.980 792 HB2 PRO 100 2HB PRO 100 12.957 -4.532 4.007 793 HB3 PRO 100 3HB PRO 100 13.481 -3.063 4.839 794 HG2 PRO 100 2HG PRO 100 11.012 -4.709 5.291 795 HG3 PRO 100 3HG PRO 100 12.143 -4.043 6.486 796 HD2 PRO 100 2HD PRO 100 9.777 -2.850 5.902 797 HD3 PRO 100 3HD PRO 100 11.219 -1.924 6.367 798 H GLU 101 H GLU 101 9.456 -3.571 3.254 799 HA GLU 101 HA GLU 101 9.978 -5.253 0.885 800 HB2 GLU 101 2HB GLU 101 7.690 -5.365 2.866 801 HB3 GLU 101 3HB GLU 101 7.916 -6.460 1.508 802 HG2 GLU 101 2HG GLU 101 10.034 -7.229 2.508 803 HG3 GLU 101 3HG GLU 101 9.749 -6.167 3.888 804 H VAL 102 H VAL 102 9.051 -2.230 1.320 805 HA VAL 102 HA VAL 102 6.827 -2.331 -0.632 806 HB VAL 102 HB VAL 102 7.401 -0.180 1.423 807 HG11 VAL 102 1HG1 VAL 102 5.133 -0.440 -0.561 808 HG12 VAL 102 2HG1 VAL 102 6.421 0.765 -0.596 809 HG13 VAL 102 3HG1 VAL 102 5.242 0.774 0.715 810 HG21 VAL 102 3HG2 VAL 102 5.183 -2.235 1.313 811 HG22 VAL 102 1HG2 VAL 102 5.327 -0.936 2.500 812 HG23 VAL 102 2HG2 VAL 102 6.534 -2.223 2.448 813 H VAL 103 H VAL 103 7.044 -1.290 -2.523 814 HA VAL 103 HA VAL 103 9.571 0.132 -3.048 815 HB VAL 103 HB VAL 103 7.566 -1.005 -5.019 816 HG11 VAL 103 1HG1 VAL 103 10.351 0.084 -5.478 817 HG12 VAL 103 2HG1 VAL 103 8.841 0.864 -5.952 818 HG13 VAL 103 3HG1 VAL 103 9.316 -0.660 -6.700 819 HG21 VAL 103 3HG2 VAL 103 9.217 -2.783 -5.397 820 HG22 VAL 103 1HG2 VAL 103 8.643 -2.775 -3.729 821 HG23 VAL 103 2HG2 VAL 103 10.231 -2.114 -4.118 822 H PHE 104 H PHE 104 9.494 2.306 -3.061 823 HA PHE 104 HA PHE 104 6.961 3.691 -3.512 824 HB2 PHE 104 2HB PHE 104 9.660 4.621 -2.526 825 HB3 PHE 104 3HB PHE 104 8.360 5.746 -2.907 826 HD1 PHE 104 HD1 PHE 104 8.899 2.620 -0.917 827 HD2 PHE 104 HD2 PHE 104 7.001 6.426 -1.170 828 HE1 PHE 104 HE1 PHE 104 7.973 2.305 1.339 829 HE2 PHE 104 HE2 PHE 104 6.071 6.110 1.085 830 HZ PHE 104 HZ PHE 104 6.556 4.051 2.340 831 H SER 105 H SER 105 6.401 4.432 -5.461 832 HA SER 105 HA SER 105 8.410 4.506 -7.592 833 HB2 SER 105 2HB SER 105 5.383 4.644 -7.712 834 HB3 SER 105 3HB SER 105 6.436 4.697 -9.124 835 HG SER 105 HG SER 105 7.279 2.615 -8.258 836 H GLY 106 H GLY 106 8.657 6.235 -9.036 837 HA2 GLY 106 2HA GLY 106 7.667 8.861 -8.085 838 HA3 GLY 106 3HA GLY 106 9.314 8.619 -8.645 839 H SER 107 H SER 107 9.727 9.099 -10.700 840 HA SER 107 HA SER 107 7.876 10.236 -12.444 841 HB2 SER 107 2HB SER 107 9.637 10.020 -14.184 842 HB3 SER 107 3HB SER 107 10.264 10.658 -12.667 843 HG SER 107 HG SER 107 11.188 8.619 -13.991 844 H ASN 108 H ASN 108 9.536 7.128 -13.132 845 HA ASN 108 HA ASN 108 7.144 5.695 -13.664 846 HB2 ASN 108 2HB ASN 108 7.149 7.228 -15.644 847 HB3 ASN 108 3HB ASN 108 8.687 6.526 -16.138 848 HD21 ASN 108 1HD2 ASN 108 5.283 5.881 -15.653 849 HD22 ASN 108 2HD2 ASN 108 5.219 4.487 -16.667 850 H LEU 109 H LEU 109 7.513 3.494 -14.180 851 HA LEU 109 HA LEU 109 10.164 2.569 -13.418 852 HB2 LEU 109 2HB LEU 109 7.543 1.122 -13.827 853 HB3 LEU 109 3HB LEU 109 9.041 0.300 -13.435 854 HG LEU 109 HG LEU 109 9.147 1.629 -11.308 855 HD11 LEU 109 1HD1 LEU 109 7.134 2.748 -10.508 856 HD12 LEU 109 2HD1 LEU 109 6.338 2.454 -12.055 857 HD13 LEU 109 3HD1 LEU 109 7.743 3.518 -11.973 858 HD21 LEU 109 3HD2 LEU 109 8.303 -0.661 -11.344 859 HD22 LEU 109 1HD2 LEU 109 6.679 -0.068 -11.691 860 HD23 LEU 109 2HD2 LEU 109 7.448 0.313 -10.150 861 H GLU 110 H GLU 110 11.563 1.450 -14.678 862 HA GLU 110 HA GLU 110 11.582 1.865 -17.444 863 HB2 GLU 110 2HB GLU 110 13.137 -0.085 -15.737 864 HB3 GLU 110 3HB GLU 110 13.471 0.196 -17.441 865 HG2 GLU 110 2HG GLU 110 14.080 2.464 -17.033 866 HG3 GLU 110 3HG GLU 110 13.524 2.372 -15.364 867 H HIS 111 H HIS 111 10.350 0.970 -18.954 868 HA HIS 111 HA HIS 111 10.025 -1.943 -18.993 869 HB2 HIS 111 2HB HIS 111 7.761 0.049 -19.272 870 HB3 HIS 111 3HB HIS 111 7.636 -1.626 -19.800 871 HD1 HIS 111 HD1 HIS 111 7.345 0.515 -16.837 872 HD2 HIS 111 HD2 HIS 111 7.837 -3.537 -17.616 873 HE1 HIS 111 HE1 HIS 111 6.758 -0.655 -14.700 874 HE2 HIS 111 HE2 HIS 111 6.966 -3.107 -15.216 875 H HIS 112 H HIS 112 10.811 -2.668 -20.851 876 HA HIS 112 HA HIS 112 11.588 -0.943 -22.959 877 HB2 HIS 112 2HB HIS 112 12.732 -3.082 -22.357 878 HB3 HIS 112 3HB HIS 112 11.372 -3.960 -23.047 879 HD1 HIS 112 HD1 HIS 112 11.363 -4.291 -25.560 880 HD2 HIS 112 HD2 HIS 112 14.288 -1.620 -24.293 881 HE1 HIS 112 HE1 HIS 112 12.781 -3.838 -27.575 882 HE2 HIS 112 HE2 HIS 112 14.637 -2.366 -26.744 883 H HIS 113 H HIS 113 8.649 -2.687 -22.381 884 HA HIS 113 HA HIS 113 7.729 -2.602 -25.119 885 HB2 HIS 113 2HB HIS 113 6.241 -3.151 -22.537 886 HB3 HIS 113 3HB HIS 113 5.536 -3.298 -24.144 887 HD1 HIS 113 HD1 HIS 113 6.349 -5.293 -25.617 888 HD2 HIS 113 HD2 HIS 113 7.902 -5.251 -21.766 889 HE1 HIS 113 HE1 HIS 113 7.347 -7.566 -25.272 890 HE2 HIS 113 HE2 HIS 113 8.409 -7.465 -22.994 891 H HIS 114 H HIS 114 8.527 -0.142 -24.795 892 HA HIS 114 HA HIS 114 6.505 1.645 -23.763 893 HB2 HIS 114 2HB HIS 114 9.001 2.054 -23.693 894 HB3 HIS 114 3HB HIS 114 8.947 2.309 -25.430 895 HD1 HIS 114 HD1 HIS 114 8.334 4.613 -26.227 896 HD2 HIS 114 HD2 HIS 114 7.602 4.074 -22.168 897 HE1 HIS 114 HE1 HIS 114 7.789 6.892 -25.330 898 HE2 HIS 114 HE2 HIS 114 7.253 6.529 -22.904 899 H HIS 115 H HIS 115 4.816 0.672 -25.191 900 HA HIS 115 HA HIS 115 3.408 0.650 -26.963 901 HB2 HIS 115 2HB HIS 115 4.786 3.286 -27.441 902 HB3 HIS 115 3HB HIS 115 3.546 2.693 -28.541 903 HD1 HIS 115 HD1 HIS 115 4.015 4.123 -25.123 904 HD2 HIS 115 HD2 HIS 115 0.931 2.663 -27.495 905 HE1 HIS 115 HE1 HIS 115 1.899 4.805 -23.969 906 HE2 HIS 115 HE2 HIS 115 0.054 3.782 -25.333 907 H HIS 116 H HIS 116 6.279 -0.419 -27.229 908 HA HIS 116 HA HIS 116 6.391 -0.604 -30.167 909 HB2 HIS 116 2HB HIS 116 8.476 0.140 -29.128 910 HB3 HIS 116 3HB HIS 116 8.491 -1.276 -28.085 911 HD1 HIS 116 HD1 HIS 116 8.897 -0.316 -31.715 912 HD2 HIS 116 HD2 HIS 116 9.639 -3.522 -29.181 913 HE1 HIS 116 HE1 HIS 116 10.259 -1.934 -33.063 914 HE2 HIS 116 HE2 HIS 116 10.835 -3.785 -31.456 Start of MODEL 7 1 H1 MET 1 1H MET 1 -16.283 -23.654 2.350 2 H2 MET 1 2H MET 1 -15.721 -24.925 3.309 3 H3 MET 1 3H MET 1 -15.200 -24.784 1.709 4 HA MET 1 HA MET 1 -14.095 -22.700 2.226 5 HB2 MET 1 2HB MET 1 -15.620 -22.090 4.090 6 HB3 MET 1 3HB MET 1 -14.891 -23.347 5.078 7 HG2 MET 1 2HG MET 1 -12.734 -22.181 4.951 8 HG3 MET 1 3HG MET 1 -13.490 -20.913 3.987 9 HE1 MET 1 3HE MET 1 -12.639 -19.036 5.687 10 HE2 MET 1 1HE MET 1 -11.839 -20.301 6.622 11 HE3 MET 1 2HE MET 1 -12.882 -19.132 7.431 12 H ALA 2 H ALA 2 -11.897 -22.877 2.438 13 HA ALA 2 HA ALA 2 -10.713 -25.028 4.019 14 HB1 ALA 2 3HB ALA 2 -10.223 -24.823 1.042 15 HB2 ALA 2 1HB ALA 2 -11.149 -26.088 1.848 16 HB3 ALA 2 2HB ALA 2 -9.420 -25.933 2.152 17 H ALA 3 H ALA 3 -8.177 -24.908 3.697 18 HA ALA 3 HA ALA 3 -7.340 -22.348 4.528 19 HB1 ALA 3 3HB ALA 3 -6.176 -24.422 5.149 20 HB2 ALA 3 1HB ALA 3 -5.076 -23.232 4.450 21 HB3 ALA 3 2HB ALA 3 -5.624 -24.603 3.485 22 H SER 4 H SER 4 -6.955 -24.001 1.386 23 HA SER 4 HA SER 4 -6.456 -23.254 -0.711 24 HB2 SER 4 2HB SER 4 -7.767 -20.756 0.394 25 HB3 SER 4 3HB SER 4 -7.343 -20.961 -1.304 26 HG SER 4 HG SER 4 -9.459 -21.569 -1.079 27 H THR 5 H THR 5 -4.277 -23.104 1.106 28 HA THR 5 HA THR 5 -2.868 -20.758 1.335 29 HB THR 5 HB THR 5 -1.611 -23.442 0.696 30 HG1 THR 5 HG1 THR 5 -2.836 -23.762 2.501 31 HG21 THR 5 3HG2 THR 5 0.326 -22.594 1.913 32 HG22 THR 5 1HG2 THR 5 -0.498 -21.061 2.195 33 HG23 THR 5 2HG2 THR 5 -0.050 -21.533 0.555 34 H VAL 6 H VAL 6 -2.596 -19.286 -0.229 35 HA VAL 6 HA VAL 6 -2.452 -19.945 -2.999 36 HB VAL 6 HB VAL 6 -3.521 -17.890 -2.289 37 HG11 VAL 6 1HG1 VAL 6 -2.275 -15.995 -1.392 38 HG12 VAL 6 2HG1 VAL 6 -0.801 -16.960 -1.370 39 HG13 VAL 6 3HG1 VAL 6 -2.154 -17.393 -0.323 40 HG21 VAL 6 3HG2 VAL 6 -1.041 -17.328 -3.919 41 HG22 VAL 6 1HG2 VAL 6 -2.483 -16.316 -3.857 42 HG23 VAL 6 2HG2 VAL 6 -2.574 -17.942 -4.535 43 H HIS 7 H HIS 7 -0.738 -20.503 -4.168 44 HA HIS 7 HA HIS 7 1.971 -20.115 -3.168 45 HB2 HIS 7 2HB HIS 7 0.851 -21.549 -5.584 46 HB3 HIS 7 3HB HIS 7 2.580 -21.355 -5.319 47 HD1 HIS 7 HD1 HIS 7 3.694 -22.983 -3.792 48 HD2 HIS 7 HD2 HIS 7 -0.453 -23.170 -3.551 49 HE1 HIS 7 HE1 HIS 7 3.192 -24.988 -2.369 50 HE2 HIS 7 HE2 HIS 7 0.691 -25.007 -2.131 51 H THR 8 H THR 8 1.195 -17.695 -3.405 52 HA THR 8 HA THR 8 2.715 -16.595 -5.614 53 HB THR 8 HB THR 8 -0.229 -15.919 -5.296 54 HG1 THR 8 HG1 THR 8 1.299 -17.212 -7.313 55 HG21 THR 8 3HG2 THR 8 1.849 -14.642 -7.086 56 HG22 THR 8 1HG2 THR 8 1.030 -13.873 -5.724 57 HG23 THR 8 2HG2 THR 8 0.114 -14.335 -7.157 58 H SER 9 H SER 9 4.023 -15.195 -4.604 59 HA SER 9 HA SER 9 3.340 -13.997 -2.081 60 HB2 SER 9 2HB SER 9 5.602 -12.747 -2.599 61 HB3 SER 9 3HB SER 9 5.613 -14.458 -2.178 62 HG SER 9 HG SER 9 6.885 -13.870 -4.057 63 H PHE 10 H PHE 10 3.362 -11.675 -1.666 64 HA PHE 10 HA PHE 10 2.237 -10.148 -3.935 65 HB2 PHE 10 2HB PHE 10 1.403 -10.028 -1.023 66 HB3 PHE 10 3HB PHE 10 0.762 -9.010 -2.308 67 HD1 PHE 10 HD1 PHE 10 -0.579 -10.056 -4.151 68 HD2 PHE 10 HD2 PHE 10 0.564 -12.219 -0.661 69 HE1 PHE 10 HE1 PHE 10 -2.314 -11.735 -4.627 70 HE2 PHE 10 HE2 PHE 10 -1.169 -13.901 -1.136 71 HZ PHE 10 HZ PHE 10 -2.607 -13.661 -3.121 72 H ILE 11 H ILE 11 2.868 -8.057 -4.199 73 HA ILE 11 HA ILE 11 4.878 -6.968 -2.322 74 HB ILE 11 HB ILE 11 4.769 -6.481 -5.311 75 HG12 ILE 11 2HG1 ILE 11 6.606 -8.293 -3.711 76 HG13 ILE 11 3HG1 ILE 11 5.396 -8.805 -4.882 77 HG21 ILE 11 1HG2 ILE 11 6.951 -5.429 -5.014 78 HG22 ILE 11 2HG2 ILE 11 6.892 -5.758 -3.282 79 HG23 ILE 11 3HG2 ILE 11 5.740 -4.637 -4.005 80 HD11 ILE 11 3HD1 ILE 11 7.626 -8.906 -5.830 81 HD12 ILE 11 1HD1 ILE 11 7.863 -7.192 -5.496 82 HD13 ILE 11 2HD1 ILE 11 6.647 -7.702 -6.667 83 H LEU 12 H LEU 12 4.667 -4.815 -1.733 84 HA LEU 12 HA LEU 12 2.223 -3.438 -2.632 85 HB2 LEU 12 2HB LEU 12 2.453 -3.836 -0.215 86 HB3 LEU 12 3HB LEU 12 3.967 -2.952 -0.208 87 HG LEU 12 HG LEU 12 2.718 -0.897 -0.896 88 HD11 LEU 12 1HD1 LEU 12 0.794 -1.956 -1.958 89 HD12 LEU 12 2HD1 LEU 12 0.281 -0.863 -0.674 90 HD13 LEU 12 3HD1 LEU 12 0.277 -2.605 -0.401 91 HD21 LEU 12 3HD2 LEU 12 3.270 -1.271 1.443 92 HD22 LEU 12 1HD2 LEU 12 1.790 -2.209 1.660 93 HD23 LEU 12 2HD2 LEU 12 1.698 -0.485 1.296 94 H LYS 13 H LYS 13 2.627 -2.095 -4.327 95 HA LYS 13 HA LYS 13 5.067 -0.460 -4.288 96 HB2 LYS 13 2HB LYS 13 3.054 -1.000 -6.473 97 HB3 LYS 13 3HB LYS 13 4.265 0.268 -6.604 98 HG2 LYS 13 2HG LYS 13 5.926 -1.693 -6.026 99 HG3 LYS 13 3HG LYS 13 4.607 -2.694 -6.631 100 HD2 LYS 13 2HD LYS 13 5.483 -0.353 -8.270 101 HD3 LYS 13 3HD LYS 13 6.511 -1.783 -8.236 102 HE2 LYS 13 2HE LYS 13 4.923 -1.768 -10.134 103 HE3 LYS 13 3HE LYS 13 4.722 -3.158 -9.075 104 HZ1 LYS 13 3HZ LYS 13 3.037 -0.723 -8.931 105 HZ2 LYS 13 1HZ LYS 13 2.795 -2.192 -8.120 106 HZ3 LYS 13 2HZ LYS 13 2.620 -2.115 -9.800 107 H VAL 14 H VAL 14 5.066 1.622 -3.780 108 HA VAL 14 HA VAL 14 2.470 2.983 -3.415 109 HB VAL 14 HB VAL 14 4.987 3.290 -1.755 110 HG11 VAL 14 1HG1 VAL 14 3.856 5.434 -1.975 111 HG12 VAL 14 2HG1 VAL 14 3.644 4.799 -0.344 112 HG13 VAL 14 3HG1 VAL 14 2.323 4.696 -1.509 113 HG21 VAL 14 3HG2 VAL 14 3.583 2.388 0.070 114 HG22 VAL 14 1HG2 VAL 14 3.804 1.234 -1.245 115 HG23 VAL 14 2HG2 VAL 14 2.283 2.114 -1.090 116 H LEU 15 H LEU 15 2.186 4.609 -4.788 117 HA LEU 15 HA LEU 15 4.451 5.962 -6.036 118 HB2 LEU 15 2HB LEU 15 2.210 5.228 -7.161 119 HB3 LEU 15 3HB LEU 15 1.555 6.686 -6.446 120 HG LEU 15 HG LEU 15 3.876 6.615 -8.393 121 HD11 LEU 15 1HD1 LEU 15 0.982 7.343 -8.850 122 HD12 LEU 15 2HD1 LEU 15 1.813 5.918 -9.476 123 HD13 LEU 15 3HD1 LEU 15 2.288 7.526 -10.023 124 HD21 LEU 15 3HD2 LEU 15 3.500 9.049 -8.558 125 HD22 LEU 15 1HD2 LEU 15 3.996 8.554 -6.939 126 HD23 LEU 15 2HD2 LEU 15 2.307 8.936 -7.264 127 H TRP 16 H TRP 16 5.384 7.605 -4.970 128 HA TRP 16 HA TRP 16 3.906 8.979 -2.853 129 HB2 TRP 16 2HB TRP 16 6.158 7.943 -2.447 130 HB3 TRP 16 3HB TRP 16 6.855 9.145 -3.523 131 HD1 TRP 16 HD1 TRP 16 6.967 11.690 -2.601 132 HE1 TRP 16 HE1 TRP 16 6.935 12.628 -0.204 133 HE3 TRP 16 HE3 TRP 16 5.163 7.581 -0.146 134 HZ2 TRP 16 HZ2 TRP 16 6.236 11.741 2.386 135 HZ3 TRP 16 HZ3 TRP 16 4.844 7.708 2.291 136 HH2 TRP 16 HH2 TRP 16 5.370 9.745 3.531 137 H LEU 17 H LEU 17 2.907 10.844 -3.327 138 HA LEU 17 HA LEU 17 4.161 12.700 -5.256 139 HB2 LEU 17 2HB LEU 17 1.282 12.545 -4.331 140 HB3 LEU 17 3HB LEU 17 1.920 13.763 -5.419 141 HG LEU 17 HG LEU 17 1.821 10.796 -6.017 142 HD11 LEU 17 1HD1 LEU 17 0.059 13.043 -7.012 143 HD12 LEU 17 2HD1 LEU 17 -0.421 11.750 -5.913 144 HD13 LEU 17 3HD1 LEU 17 0.020 11.371 -7.577 145 HD21 LEU 17 3HD2 LEU 17 3.650 11.926 -7.165 146 HD22 LEU 17 1HD2 LEU 17 2.538 13.158 -7.763 147 HD23 LEU 17 2HD2 LEU 17 2.380 11.485 -8.307 148 H ASP 18 H ASP 18 3.986 15.015 -4.737 149 HA ASP 18 HA ASP 18 4.782 15.592 -2.076 150 HB2 ASP 18 2HB ASP 18 3.890 17.522 -4.232 151 HB3 ASP 18 3HB ASP 18 4.842 17.920 -2.801 152 H GLN 19 H GLN 19 1.691 15.791 -3.746 153 HA GLN 19 HA GLN 19 0.450 17.156 -1.460 154 HB2 GLN 19 2HB GLN 19 -0.867 16.407 -4.079 155 HB3 GLN 19 3HB GLN 19 -1.465 17.530 -2.870 156 HG2 GLN 19 2HG GLN 19 -0.666 18.880 -4.598 157 HG3 GLN 19 3HG GLN 19 0.596 18.938 -3.369 158 HE21 GLN 19 1HE2 GLN 19 2.142 19.520 -4.919 159 HE22 GLN 19 2HE2 GLN 19 2.774 18.377 -6.051 160 H ASN 20 H ASN 20 0.536 14.022 -3.015 161 HA ASN 20 HA ASN 20 -1.310 12.926 -1.021 162 HB2 ASN 20 2HB ASN 20 -1.698 12.509 -3.999 163 HB3 ASN 20 3HB ASN 20 -2.628 11.731 -2.726 164 HD21 ASN 20 1HD2 ASN 20 -4.020 13.034 -1.450 165 HD22 ASN 20 2HD2 ASN 20 -4.608 14.548 -2.042 166 H VAL 21 H VAL 21 -1.515 10.417 -1.456 167 HA VAL 21 HA VAL 21 0.938 9.283 -2.591 168 HB VAL 21 HB VAL 21 1.354 9.529 -0.167 169 HG11 VAL 21 1HG1 VAL 21 -1.000 7.671 0.181 170 HG12 VAL 21 2HG1 VAL 21 -0.929 9.366 0.660 171 HG13 VAL 21 3HG1 VAL 21 0.106 8.180 1.454 172 HG21 VAL 21 3HG2 VAL 21 2.044 7.209 0.273 173 HG22 VAL 21 1HG2 VAL 21 2.435 7.711 -1.372 174 HG23 VAL 21 2HG2 VAL 21 1.048 6.662 -1.076 175 H ALA 22 H ALA 22 0.699 7.188 -3.414 176 HA ALA 22 HA ALA 22 -2.063 6.121 -3.428 177 HB1 ALA 22 3HB ALA 22 -1.730 5.430 -5.743 178 HB2 ALA 22 1HB ALA 22 -0.109 6.125 -5.730 179 HB3 ALA 22 2HB ALA 22 -1.520 7.172 -5.570 180 H ILE 23 H ILE 23 -2.326 3.955 -3.149 181 HA ILE 23 HA ILE 23 0.117 2.322 -2.787 182 HB ILE 23 HB ILE 23 -1.244 0.900 -1.256 183 HG12 ILE 23 2HG1 ILE 23 -3.286 3.130 -1.551 184 HG13 ILE 23 3HG1 ILE 23 -3.480 1.465 -2.090 185 HG21 ILE 23 1HG2 ILE 23 0.268 2.611 -0.383 186 HG22 ILE 23 2HG2 ILE 23 -1.151 2.434 0.648 187 HG23 ILE 23 3HG2 ILE 23 -1.029 3.806 -0.454 188 HD11 ILE 23 3HD1 ILE 23 -4.696 1.844 -0.043 189 HD12 ILE 23 1HD1 ILE 23 -3.226 2.397 0.759 190 HD13 ILE 23 2HD1 ILE 23 -3.370 0.716 0.243 191 H ALA 24 H ALA 24 0.234 0.279 -3.686 192 HA ALA 24 HA ALA 24 -2.067 -0.873 -5.065 193 HB1 ALA 24 3HB ALA 24 -1.031 0.601 -6.751 194 HB2 ALA 24 1HB ALA 24 -0.914 -1.101 -7.198 195 HB3 ALA 24 2HB ALA 24 0.496 -0.261 -6.549 196 H VAL 25 H VAL 25 -1.855 -3.116 -5.469 197 HA VAL 25 HA VAL 25 0.526 -4.388 -4.261 198 HB VAL 25 HB VAL 25 -2.317 -5.438 -4.318 199 HG11 VAL 25 1HG1 VAL 25 -0.718 -7.268 -4.553 200 HG12 VAL 25 2HG1 VAL 25 -1.464 -7.302 -2.956 201 HG13 VAL 25 3HG1 VAL 25 0.179 -6.687 -3.148 202 HG21 VAL 25 3HG2 VAL 25 -2.222 -5.211 -1.873 203 HG22 VAL 25 1HG2 VAL 25 -1.995 -3.656 -2.672 204 HG23 VAL 25 2HG2 VAL 25 -0.606 -4.512 -1.999 205 H ASP 26 H ASP 26 1.637 -5.809 -5.454 206 HA ASP 26 HA ASP 26 0.520 -6.677 -8.050 207 HB2 ASP 26 2HB ASP 26 3.443 -6.294 -7.332 208 HB3 ASP 26 3HB ASP 26 2.790 -6.687 -8.922 209 H GLN 27 H GLN 27 0.808 -8.843 -8.655 210 HA GLN 27 HA GLN 27 1.448 -10.651 -6.425 211 HB2 GLN 27 2HB GLN 27 0.139 -12.335 -7.607 212 HB3 GLN 27 3HB GLN 27 -0.797 -10.862 -7.405 213 HG2 GLN 27 2HG GLN 27 -0.363 -10.246 -9.722 214 HG3 GLN 27 3HG GLN 27 0.616 -11.698 -9.933 215 HE21 GLN 27 1HE2 GLN 27 -0.429 -13.723 -9.956 216 HE22 GLN 27 2HE2 GLN 27 -2.114 -13.860 -10.278 217 H ILE 28 H ILE 28 3.107 -12.071 -6.496 218 HA ILE 28 HA ILE 28 4.874 -12.080 -8.810 219 HB ILE 28 HB ILE 28 5.168 -13.399 -6.101 220 HG12 ILE 28 2HG1 ILE 28 6.451 -10.923 -7.296 221 HG13 ILE 28 3HG1 ILE 28 5.285 -10.963 -5.978 222 HG21 ILE 28 1HG2 ILE 28 7.496 -13.826 -6.734 223 HG22 ILE 28 2HG2 ILE 28 7.175 -13.195 -8.352 224 HG23 ILE 28 3HG2 ILE 28 6.373 -14.666 -7.800 225 HD11 ILE 28 3HD1 ILE 28 6.908 -12.135 -4.579 226 HD12 ILE 28 1HD1 ILE 28 7.532 -10.589 -5.153 227 HD13 ILE 28 2HD1 ILE 28 8.074 -12.090 -5.902 228 H VAL 29 H VAL 29 4.081 -13.310 -10.414 229 HA VAL 29 HA VAL 29 2.740 -15.838 -9.916 230 HB VAL 29 HB VAL 29 3.471 -14.640 -12.598 231 HG11 VAL 29 1HG1 VAL 29 2.713 -16.952 -12.679 232 HG12 VAL 29 2HG1 VAL 29 1.518 -15.877 -13.404 233 HG13 VAL 29 3HG1 VAL 29 1.254 -16.523 -11.783 234 HG21 VAL 29 3HG2 VAL 29 1.020 -14.070 -10.929 235 HG22 VAL 29 1HG2 VAL 29 1.254 -13.564 -12.602 236 HG23 VAL 29 2HG2 VAL 29 2.301 -12.930 -11.333 237 H GLY 30 H GLY 30 3.394 -17.812 -11.184 238 HA2 GLY 30 2HA GLY 30 6.022 -18.602 -10.599 239 HA3 GLY 30 3HA GLY 30 4.913 -19.466 -11.647 240 H LYS 31 H LYS 31 5.018 -16.664 -13.195 241 HA LYS 31 HA LYS 31 7.461 -17.318 -14.706 242 HB2 LYS 31 2HB LYS 31 5.429 -17.477 -16.043 243 HB3 LYS 31 3HB LYS 31 4.973 -15.843 -15.591 244 HG2 LYS 31 2HG LYS 31 5.803 -15.612 -17.749 245 HG3 LYS 31 3HG LYS 31 7.147 -15.105 -16.734 246 HD2 LYS 31 2HD LYS 31 6.914 -17.921 -17.788 247 HD3 LYS 31 3HD LYS 31 7.664 -16.633 -18.727 248 HE2 LYS 31 2HE LYS 31 8.555 -17.646 -16.023 249 HE3 LYS 31 3HE LYS 31 9.362 -17.911 -17.565 250 HZ1 LYS 31 3HZ LYS 31 8.963 -15.250 -16.302 251 HZ2 LYS 31 1HZ LYS 31 9.820 -15.568 -17.724 252 HZ3 LYS 31 2HZ LYS 31 10.393 -16.144 -16.244 253 H GLY 32 H GLY 32 5.542 -14.501 -13.605 254 HA2 GLY 32 2HA GLY 32 7.921 -13.114 -12.775 255 HA3 GLY 32 3HA GLY 32 7.203 -12.421 -14.222 256 H THR 33 H THR 33 6.992 -10.504 -12.792 257 HA THR 33 HA THR 33 4.856 -10.688 -10.779 258 HB THR 33 HB THR 33 5.481 -8.368 -10.163 259 HG1 THR 33 HG1 THR 33 7.001 -7.280 -11.252 260 HG21 THR 33 3HG2 THR 33 7.664 -8.895 -9.184 261 HG22 THR 33 1HG2 THR 33 7.822 -10.282 -10.266 262 HG23 THR 33 2HG2 THR 33 6.559 -10.261 -9.035 263 H SER 34 H SER 34 2.879 -9.836 -11.032 264 HA SER 34 HA SER 34 2.354 -8.029 -13.310 265 HB2 SER 34 2HB SER 34 1.679 -10.304 -13.991 266 HB3 SER 34 3HB SER 34 0.653 -10.430 -12.562 267 HG SER 34 HG SER 34 -0.839 -9.394 -13.613 268 HA PRO 35 HA PRO 35 0.277 -5.548 -10.266 269 HB2 PRO 35 2HB PRO 35 -1.628 -4.358 -11.875 270 HB3 PRO 35 3HB PRO 35 0.056 -3.838 -11.765 271 HG2 PRO 35 2HG PRO 35 -1.252 -5.592 -13.813 272 HG3 PRO 35 3HG PRO 35 -0.071 -4.289 -14.046 273 HD2 PRO 35 2HD PRO 35 0.669 -6.867 -14.115 274 HD3 PRO 35 3HD PRO 35 1.721 -5.626 -13.394 275 H LEU 36 H LEU 36 -1.142 -6.143 -8.770 276 HA LEU 36 HA LEU 36 -3.360 -7.937 -9.455 277 HB2 LEU 36 2HB LEU 36 -1.806 -8.530 -7.609 278 HB3 LEU 36 3HB LEU 36 -2.300 -7.084 -6.751 279 HG LEU 36 HG LEU 36 -4.638 -8.008 -6.683 280 HD11 LEU 36 1HD1 LEU 36 -4.511 -9.553 -8.544 281 HD12 LEU 36 2HD1 LEU 36 -4.925 -10.419 -7.067 282 HD13 LEU 36 3HD1 LEU 36 -3.284 -10.505 -7.707 283 HD21 LEU 36 3HD2 LEU 36 -3.174 -8.153 -4.749 284 HD22 LEU 36 1HD2 LEU 36 -2.470 -9.649 -5.365 285 HD23 LEU 36 2HD2 LEU 36 -4.164 -9.604 -4.876 286 H THR 37 H THR 37 -2.745 -4.811 -7.880 287 HA THR 37 HA THR 37 -5.565 -4.069 -8.380 288 HB THR 37 HB THR 37 -5.695 -2.801 -6.332 289 HG1 THR 37 HG1 THR 37 -3.891 -2.071 -5.518 290 HG21 THR 37 3HG2 THR 37 -5.504 -4.559 -4.623 291 HG22 THR 37 1HG2 THR 37 -4.541 -5.534 -5.735 292 HG23 THR 37 2HG2 THR 37 -6.228 -5.183 -6.105 293 H SER 38 H SER 38 -5.823 -1.593 -8.243 294 HA SER 38 HA SER 38 -3.747 -0.360 -9.895 295 HB2 SER 38 2HB SER 38 -6.478 0.686 -9.090 296 HB3 SER 38 3HB SER 38 -5.391 1.438 -10.260 297 HG SER 38 HG SER 38 -6.623 -1.119 -10.462 298 H TYR 39 H TYR 39 -3.034 1.868 -9.466 299 HA TYR 39 HA TYR 39 -2.286 2.308 -6.734 300 HB2 TYR 39 2HB TYR 39 -1.976 3.986 -9.234 301 HB3 TYR 39 3HB TYR 39 -1.422 4.532 -7.656 302 HD1 TYR 39 HD2 TYR 39 0.415 3.318 -6.502 303 HD2 TYR 39 HD1 TYR 39 -0.728 2.386 -10.499 304 HE1 TYR 39 HE2 TYR 39 2.551 2.155 -6.837 305 HE2 TYR 39 HE1 TYR 39 1.411 1.224 -10.844 306 HH TYR 39 HH TYR 39 3.755 1.349 -9.817 307 H PHE 40 H PHE 40 -3.847 2.848 -5.316 308 HA PHE 40 HA PHE 40 -5.997 4.667 -6.100 309 HB2 PHE 40 2HB PHE 40 -5.559 3.207 -3.483 310 HB3 PHE 40 3HB PHE 40 -7.020 4.065 -3.961 311 HD1 PHE 40 HD1 PHE 40 -8.041 3.241 -6.279 312 HD2 PHE 40 HD2 PHE 40 -5.520 0.915 -3.748 313 HE1 PHE 40 HE1 PHE 40 -8.920 1.183 -7.297 314 HE2 PHE 40 HE2 PHE 40 -6.400 -1.145 -4.765 315 HZ PHE 40 HZ PHE 40 -8.100 -1.013 -6.541 316 H PHE 41 H PHE 41 -5.577 6.782 -5.979 317 HA PHE 41 HA PHE 41 -3.618 7.878 -4.137 318 HB2 PHE 41 2HB PHE 41 -5.425 9.272 -6.133 319 HB3 PHE 41 3HB PHE 41 -4.087 10.018 -5.269 320 HD1 PHE 41 HD1 PHE 41 -4.956 7.490 -7.832 321 HD2 PHE 41 HD2 PHE 41 -1.857 9.824 -6.064 322 HE1 PHE 41 HE1 PHE 41 -3.435 6.858 -9.661 323 HE2 PHE 41 HE2 PHE 41 -0.338 9.190 -7.891 324 HZ PHE 41 HZ PHE 41 -1.124 7.708 -9.690 325 H TRP 42 H TRP 42 -4.086 8.724 -2.147 326 HA TRP 42 HA TRP 42 -6.867 9.624 -1.676 327 HB2 TRP 42 2HB TRP 42 -7.009 8.531 0.326 328 HB3 TRP 42 3HB TRP 42 -5.866 7.458 -0.464 329 HD1 TRP 42 HD1 TRP 42 -3.151 8.029 0.188 330 HE1 TRP 42 HE1 TRP 42 -2.207 8.654 2.502 331 HE3 TRP 42 HE3 TRP 42 -7.471 9.575 2.435 332 HZ2 TRP 42 HZ2 TRP 42 -3.172 9.663 4.963 333 HZ3 TRP 42 HZ3 TRP 42 -7.381 10.352 4.767 334 HH2 TRP 42 HH2 TRP 42 -5.275 10.395 6.005 335 HA PRO 43 HA PRO 43 -7.888 10.497 0.151 336 HB2 PRO 43 2HB PRO 43 -9.074 12.788 0.859 337 HB3 PRO 43 3HB PRO 43 -7.926 11.982 1.936 338 HG2 PRO 43 2HG PRO 43 -7.487 14.326 0.116 339 HG3 PRO 43 3HG PRO 43 -6.950 14.096 1.791 340 HD2 PRO 43 2HD PRO 43 -5.357 13.662 -0.413 341 HD3 PRO 43 3HD PRO 43 -5.113 12.877 1.160 342 H ARG 44 H ARG 44 -6.846 11.396 -2.590 343 HA ARG 44 HA ARG 44 -8.997 12.755 -3.879 344 HB2 ARG 44 2HB ARG 44 -6.847 10.940 -5.002 345 HB3 ARG 44 3HB ARG 44 -7.968 11.875 -5.988 346 HG2 ARG 44 2HG ARG 44 -5.948 13.002 -4.048 347 HG3 ARG 44 3HG ARG 44 -5.810 12.994 -5.808 348 HD2 ARG 44 2HD ARG 44 -7.730 14.449 -6.013 349 HD3 ARG 44 3HD ARG 44 -8.031 14.360 -4.278 350 HE ARG 44 HE ARG 44 -5.535 15.530 -5.310 351 HH11 ARG 44 1HH1 ARG 44 -8.468 15.817 -3.522 352 HH12 ARG 44 2HH1 ARG 44 -8.041 17.355 -2.855 353 HH21 ARG 44 1HH2 ARG 44 -4.992 17.503 -4.435 354 HH22 ARG 44 2HH2 ARG 44 -6.095 18.296 -3.365 355 H ALA 45 H ALA 45 -8.440 9.481 -2.950 356 HA ALA 45 HA ALA 45 -11.205 8.815 -3.483 357 HB1 ALA 45 3HB ALA 45 -10.691 6.764 -4.736 358 HB2 ALA 45 1HB ALA 45 -8.980 7.199 -4.750 359 HB3 ALA 45 2HB ALA 45 -10.153 8.200 -5.607 360 H ASP 46 H ASP 46 -11.724 6.613 -2.524 361 HA ASP 46 HA ASP 46 -10.498 6.351 0.054 362 HB2 ASP 46 2HB ASP 46 -12.420 4.447 -1.317 363 HB3 ASP 46 3HB ASP 46 -12.067 4.519 0.408 364 H ALA 47 H ALA 47 -8.313 5.890 -0.348 365 HA ALA 47 HA ALA 47 -7.325 4.016 -2.166 366 HB1 ALA 47 3HB ALA 47 -5.974 5.805 -1.199 367 HB2 ALA 47 1HB ALA 47 -5.195 4.234 -1.012 368 HB3 ALA 47 2HB ALA 47 -6.002 4.989 0.364 369 H TRP 48 H TRP 48 -7.245 3.588 1.390 370 HA TRP 48 HA TRP 48 -6.489 0.870 1.229 371 HB2 TRP 48 2HB TRP 48 -6.142 2.456 3.184 372 HB3 TRP 48 3HB TRP 48 -7.832 2.191 3.595 373 HD1 TRP 48 HD1 TRP 48 -4.589 0.107 3.145 374 HE1 TRP 48 HE1 TRP 48 -4.686 -1.870 4.785 375 HE3 TRP 48 HE3 TRP 48 -9.258 0.888 5.091 376 HZ2 TRP 48 HZ2 TRP 48 -6.495 -2.954 6.663 377 HZ3 TRP 48 HZ3 TRP 48 -10.092 -0.666 6.809 378 HH2 TRP 48 HH2 TRP 48 -8.737 -2.546 7.576 379 H GLN 49 H GLN 49 -9.623 2.442 1.463 380 HA GLN 49 HA GLN 49 -11.195 0.184 2.066 381 HB2 GLN 49 2HB GLN 49 -12.036 2.491 2.241 382 HB3 GLN 49 3HB GLN 49 -11.968 2.652 0.490 383 HG2 GLN 49 2HG GLN 49 -14.239 2.243 1.205 384 HG3 GLN 49 3HG GLN 49 -13.647 0.874 0.268 385 HE21 GLN 49 1HE2 GLN 49 -12.788 1.499 3.609 386 HE22 GLN 49 2HE2 GLN 49 -13.622 0.138 4.266 387 H GLN 50 H GLN 50 -10.431 1.653 -1.110 388 HA GLN 50 HA GLN 50 -11.751 -0.358 -2.617 389 HB2 GLN 50 2HB GLN 50 -9.592 1.610 -3.398 390 HB3 GLN 50 3HB GLN 50 -10.398 0.542 -4.542 391 HG2 GLN 50 2HG GLN 50 -12.540 1.573 -4.030 392 HG3 GLN 50 3HG GLN 50 -11.772 2.618 -2.835 393 HE21 GLN 50 1HE2 GLN 50 -10.436 4.301 -3.559 394 HE22 GLN 50 2HE2 GLN 50 -10.509 4.880 -5.184 395 H LEU 51 H LEU 51 -8.427 -0.040 -1.448 396 HA LEU 51 HA LEU 51 -7.275 -2.178 -2.844 397 HB2 LEU 51 2HB LEU 51 -5.926 -0.601 -1.584 398 HB3 LEU 51 3HB LEU 51 -6.666 -1.119 -0.078 399 HG LEU 51 HG LEU 51 -5.628 -3.336 -0.314 400 HD11 LEU 51 1HD1 LEU 51 -3.945 -3.740 -2.050 401 HD12 LEU 51 2HD1 LEU 51 -4.354 -2.197 -2.802 402 HD13 LEU 51 3HD1 LEU 51 -5.551 -3.492 -2.734 403 HD21 LEU 51 3HD2 LEU 51 -3.301 -2.665 0.075 404 HD22 LEU 51 1HD2 LEU 51 -4.432 -1.612 0.927 405 HD23 LEU 51 2HD2 LEU 51 -3.658 -1.057 -0.558 406 H LYS 52 H LYS 52 -8.706 -2.197 0.446 407 HA LYS 52 HA LYS 52 -8.507 -4.997 0.769 408 HB2 LYS 52 2HB LYS 52 -9.933 -4.741 2.693 409 HB3 LYS 52 3HB LYS 52 -8.800 -3.400 2.645 410 HG2 LYS 52 2HG LYS 52 -10.610 -1.999 1.640 411 HG3 LYS 52 3HG LYS 52 -11.723 -3.342 1.901 412 HD2 LYS 52 2HD LYS 52 -10.210 -1.789 4.010 413 HD3 LYS 52 3HD LYS 52 -11.948 -1.763 3.717 414 HE2 LYS 52 2HE LYS 52 -10.335 -4.128 4.692 415 HE3 LYS 52 3HE LYS 52 -11.410 -3.129 5.667 416 HZ1 LYS 52 3HZ LYS 52 -12.234 -4.827 3.376 417 HZ2 LYS 52 1HZ LYS 52 -13.268 -3.880 4.321 418 HZ3 LYS 52 2HZ LYS 52 -12.459 -5.194 5.010 419 H ASP 53 H ASP 53 -11.088 -2.936 -0.518 420 HA ASP 53 HA ASP 53 -13.095 -4.823 -0.895 421 HB2 ASP 53 2HB ASP 53 -13.466 -2.452 -1.282 422 HB3 ASP 53 3HB ASP 53 -12.335 -2.458 -2.632 423 H GLU 54 H GLU 54 -10.422 -3.987 -3.106 424 HA GLU 54 HA GLU 54 -10.957 -5.808 -5.148 425 HB2 GLU 54 2HB GLU 54 -8.319 -4.754 -4.111 426 HB3 GLU 54 3HB GLU 54 -8.469 -5.700 -5.585 427 HG2 GLU 54 2HG GLU 54 -9.882 -3.080 -5.110 428 HG3 GLU 54 3HG GLU 54 -8.326 -3.233 -5.924 429 H LEU 55 H LEU 55 -9.035 -6.258 -2.186 430 HA LEU 55 HA LEU 55 -8.256 -8.924 -2.773 431 HB2 LEU 55 2HB LEU 55 -8.405 -7.510 -0.107 432 HB3 LEU 55 3HB LEU 55 -7.589 -9.033 -0.401 433 HG LEU 55 HG LEU 55 -6.825 -6.369 -1.626 434 HD11 LEU 55 1HD1 LEU 55 -5.493 -8.013 0.527 435 HD12 LEU 55 2HD1 LEU 55 -6.288 -6.451 0.735 436 HD13 LEU 55 3HD1 LEU 55 -4.816 -6.569 -0.226 437 HD21 LEU 55 3HD2 LEU 55 -6.346 -8.219 -3.142 438 HD22 LEU 55 1HD2 LEU 55 -5.504 -9.080 -1.851 439 HD23 LEU 55 2HD2 LEU 55 -4.854 -7.561 -2.471 440 H GLU 56 H GLU 56 -11.126 -7.588 -1.226 441 HA GLU 56 HA GLU 56 -12.113 -10.103 -0.253 442 HB2 GLU 56 2HB GLU 56 -13.651 -7.573 -0.902 443 HB3 GLU 56 3HB GLU 56 -14.279 -8.947 -0.004 444 HG2 GLU 56 2HG GLU 56 -12.041 -7.121 0.853 445 HG3 GLU 56 3HG GLU 56 -13.682 -7.141 1.489 446 H ALA 57 H ALA 57 -12.400 -8.317 -3.261 447 HA ALA 57 HA ALA 57 -14.358 -10.019 -4.464 448 HB1 ALA 57 3HB ALA 57 -13.799 -8.854 -6.537 449 HB2 ALA 57 1HB ALA 57 -12.388 -8.131 -5.760 450 HB3 ALA 57 2HB ALA 57 -14.012 -7.717 -5.207 451 H LYS 58 H LYS 58 -10.818 -9.918 -4.503 452 HA LYS 58 HA LYS 58 -10.583 -12.124 -6.356 453 HB2 LYS 58 2HB LYS 58 -8.469 -10.875 -4.579 454 HB3 LYS 58 3HB LYS 58 -8.185 -11.914 -5.971 455 HG2 LYS 58 2HG LYS 58 -8.978 -10.244 -7.481 456 HG3 LYS 58 3HG LYS 58 -9.573 -9.245 -6.155 457 HD2 LYS 58 2HD LYS 58 -7.215 -9.014 -5.360 458 HD3 LYS 58 3HD LYS 58 -6.693 -9.864 -6.815 459 HE2 LYS 58 2HE LYS 58 -8.263 -7.283 -6.788 460 HE3 LYS 58 3HE LYS 58 -6.517 -7.399 -7.003 461 HZ1 LYS 58 3HZ LYS 58 -7.676 -7.179 -9.110 462 HZ2 LYS 58 1HZ LYS 58 -8.550 -8.593 -8.809 463 HZ3 LYS 58 2HZ LYS 58 -6.876 -8.661 -9.019 464 H HIS 59 H HIS 59 -11.608 -13.890 -5.464 465 HA HIS 59 HA HIS 59 -11.484 -14.474 -2.668 466 HB2 HIS 59 2HB HIS 59 -12.735 -15.904 -5.008 467 HB3 HIS 59 3HB HIS 59 -12.844 -16.506 -3.355 468 HD1 HIS 59 HD1 HIS 59 -14.075 -13.730 -5.574 469 HD2 HIS 59 HD2 HIS 59 -14.581 -15.095 -1.681 470 HE1 HIS 59 HE1 HIS 59 -16.045 -12.471 -4.669 471 HE2 HIS 59 HE2 HIS 59 -16.368 -13.348 -2.335 472 H TRP 60 H TRP 60 -9.221 -15.142 -5.004 473 HA TRP 60 HA TRP 60 -8.407 -17.686 -3.807 474 HB2 TRP 60 2HB TRP 60 -6.662 -17.739 -5.556 475 HB3 TRP 60 3HB TRP 60 -8.278 -17.574 -6.226 476 HD1 TRP 60 HD1 TRP 60 -8.932 -14.954 -7.013 477 HE1 TRP 60 HE1 TRP 60 -7.415 -13.224 -8.165 478 HE3 TRP 60 HE3 TRP 60 -4.375 -16.928 -5.789 479 HZ2 TRP 60 HZ2 TRP 60 -4.650 -12.759 -8.511 480 HZ3 TRP 60 HZ3 TRP 60 -2.343 -15.782 -6.573 481 HH2 TRP 60 HH2 TRP 60 -2.479 -13.738 -7.908 482 H ILE 61 H ILE 61 -8.100 -14.590 -2.927 483 HA ILE 61 HA ILE 61 -5.341 -14.724 -1.955 484 HB ILE 61 HB ILE 61 -7.472 -12.579 -1.863 485 HG12 ILE 61 2HG1 ILE 61 -5.839 -11.231 -3.071 486 HG13 ILE 61 3HG1 ILE 61 -4.627 -12.498 -2.921 487 HG21 ILE 61 1HG2 ILE 61 -4.829 -12.526 -0.401 488 HG22 ILE 61 2HG2 ILE 61 -6.431 -12.572 0.332 489 HG23 ILE 61 3HG2 ILE 61 -5.925 -11.156 -0.587 490 HD11 ILE 61 3HD1 ILE 61 -7.198 -12.735 -4.463 491 HD12 ILE 61 1HD1 ILE 61 -5.897 -13.924 -4.393 492 HD13 ILE 61 2HD1 ILE 61 -5.622 -12.356 -5.156 493 H ALA 62 H ALA 62 -4.789 -15.124 0.178 494 HA ALA 62 HA ALA 62 -6.887 -16.358 1.789 495 HB1 ALA 62 3HB ALA 62 -4.722 -17.515 1.384 496 HB2 ALA 62 1HB ALA 62 -5.117 -17.322 3.092 497 HB3 ALA 62 2HB ALA 62 -3.922 -16.265 2.340 498 H GLU 63 H GLU 63 -6.525 -16.079 4.281 499 HA GLU 63 HA GLU 63 -7.170 -13.382 4.906 500 HB2 GLU 63 2HB GLU 63 -8.134 -15.261 6.144 501 HB3 GLU 63 3HB GLU 63 -6.541 -15.706 6.745 502 HG2 GLU 63 2HG GLU 63 -6.415 -13.521 7.910 503 HG3 GLU 63 3HG GLU 63 -8.055 -13.171 7.368 504 H ALA 64 H ALA 64 -4.363 -15.395 5.835 505 HA ALA 64 HA ALA 64 -3.079 -13.529 7.444 506 HB1 ALA 64 3HB ALA 64 -1.801 -15.699 5.786 507 HB2 ALA 64 1HB ALA 64 -2.513 -15.906 7.386 508 HB3 ALA 64 2HB ALA 64 -1.083 -14.894 7.182 509 H ASP 65 H ASP 65 -2.455 -14.181 3.974 510 HA ASP 65 HA ASP 65 -0.473 -12.174 3.730 511 HB2 ASP 65 2HB ASP 65 -1.124 -12.475 1.174 512 HB3 ASP 65 3HB ASP 65 -0.216 -13.701 2.054 513 H ARG 66 H ARG 66 -3.927 -12.171 2.818 514 HA ARG 66 HA ARG 66 -4.066 -9.576 1.803 515 HB2 ARG 66 2HB ARG 66 -5.950 -10.828 1.408 516 HB3 ARG 66 3HB ARG 66 -6.017 -11.458 3.043 517 HG2 ARG 66 2HG ARG 66 -7.041 -9.497 3.859 518 HG3 ARG 66 3HG ARG 66 -6.666 -8.597 2.386 519 HD2 ARG 66 2HD ARG 66 -9.078 -9.569 2.777 520 HD3 ARG 66 3HD ARG 66 -8.345 -9.601 1.173 521 HE ARG 66 HE ARG 66 -7.668 -12.002 2.351 522 HH11 ARG 66 1HH1 ARG 66 -10.627 -10.385 1.646 523 HH12 ARG 66 2HH1 ARG 66 -11.458 -11.848 1.270 524 HH21 ARG 66 1HH2 ARG 66 -8.740 -13.875 1.839 525 HH22 ARG 66 2HH2 ARG 66 -10.401 -13.807 1.386 526 H ILE 67 H ILE 67 -4.622 -10.601 5.200 527 HA ILE 67 HA ILE 67 -5.021 -8.003 6.220 528 HB ILE 67 HB ILE 67 -3.935 -10.446 7.643 529 HG12 ILE 67 2HG1 ILE 67 -6.175 -10.794 6.722 530 HG13 ILE 67 3HG1 ILE 67 -6.253 -10.686 8.475 531 HG21 ILE 67 1HG2 ILE 67 -5.013 -7.869 8.794 532 HG22 ILE 67 2HG2 ILE 67 -3.347 -8.443 8.885 533 HG23 ILE 67 3HG2 ILE 67 -4.627 -9.319 9.725 534 HD11 ILE 67 3HD1 ILE 67 -7.038 -8.373 8.291 535 HD12 ILE 67 1HD1 ILE 67 -8.097 -9.499 7.442 536 HD13 ILE 67 2HD1 ILE 67 -6.969 -8.495 6.534 537 H ASN 68 H ASN 68 -2.065 -9.900 5.741 538 HA ASN 68 HA ASN 68 -0.217 -8.259 7.033 539 HB2 ASN 68 2HB ASN 68 0.382 -10.458 6.142 540 HB3 ASN 68 3HB ASN 68 0.153 -9.874 4.496 541 HD21 ASN 68 1HD2 ASN 68 2.159 -10.019 3.709 542 HD22 ASN 68 2HD2 ASN 68 3.530 -9.194 4.352 543 H VAL 69 H VAL 69 -1.011 -8.226 3.536 544 HA VAL 69 HA VAL 69 0.526 -5.930 2.964 545 HB VAL 69 HB VAL 69 -0.620 -5.851 0.802 546 HG11 VAL 69 1HG1 VAL 69 1.205 -7.440 1.128 547 HG12 VAL 69 2HG1 VAL 69 0.004 -8.085 0.009 548 HG13 VAL 69 3HG1 VAL 69 0.058 -8.664 1.676 549 HG21 VAL 69 3HG2 VAL 69 -2.392 -7.464 0.253 550 HG22 VAL 69 1HG2 VAL 69 -2.901 -6.343 1.516 551 HG23 VAL 69 2HG2 VAL 69 -2.431 -7.991 1.936 552 H LEU 70 H LEU 70 -2.822 -6.290 3.998 553 HA LEU 70 HA LEU 70 -3.580 -3.584 3.605 554 HB2 LEU 70 2HB LEU 70 -4.616 -5.688 5.507 555 HB3 LEU 70 3HB LEU 70 -5.320 -4.086 5.380 556 HG LEU 70 HG LEU 70 -5.186 -6.134 3.155 557 HD11 LEU 70 1HD1 LEU 70 -7.530 -5.139 4.781 558 HD12 LEU 70 2HD1 LEU 70 -6.796 -6.739 4.884 559 HD13 LEU 70 3HD1 LEU 70 -7.619 -6.241 3.406 560 HD21 LEU 70 3HD2 LEU 70 -5.019 -3.864 2.282 561 HD22 LEU 70 1HD2 LEU 70 -6.442 -3.386 3.208 562 HD23 LEU 70 2HD2 LEU 70 -6.591 -4.563 1.902 563 H ASN 71 H ASN 71 -2.035 -5.261 6.326 564 HA ASN 71 HA ASN 71 -2.111 -3.101 8.155 565 HB2 ASN 71 2HB ASN 71 -0.326 -5.523 7.939 566 HB3 ASN 71 3HB ASN 71 -0.140 -4.339 9.230 567 HD21 ASN 71 1HD2 ASN 71 -0.924 -7.175 9.284 568 HD22 ASN 71 2HD2 ASN 71 -2.434 -7.207 10.116 569 H GLN 72 H GLN 72 0.576 -4.222 6.060 570 HA GLN 72 HA GLN 72 2.317 -2.108 6.726 571 HB2 GLN 72 2HB GLN 72 3.588 -2.751 4.697 572 HB3 GLN 72 3HB GLN 72 3.178 -4.121 5.717 573 HG2 GLN 72 2HG GLN 72 1.265 -4.601 4.195 574 HG3 GLN 72 3HG GLN 72 1.856 -3.326 3.134 575 HE21 GLN 72 1HE2 GLN 72 3.962 -5.501 4.906 576 HE22 GLN 72 2HE2 GLN 72 4.538 -6.357 3.524 577 H ALA 73 H ALA 73 -0.083 -2.397 4.110 578 HA ALA 73 HA ALA 73 0.403 0.061 2.846 579 HB1 ALA 73 3HB ALA 73 -2.251 -1.338 3.212 580 HB2 ALA 73 1HB ALA 73 -1.097 -1.638 1.913 581 HB3 ALA 73 2HB ALA 73 -1.903 -0.074 2.032 582 H THR 74 H THR 74 -1.751 -0.735 5.566 583 HA THR 74 HA THR 74 -2.726 1.830 6.110 584 HB THR 74 HB THR 74 -2.184 -0.431 8.058 585 HG1 THR 74 HG1 THR 74 -3.796 -1.209 6.896 586 HG21 THR 74 3HG2 THR 74 -3.837 0.681 9.518 587 HG22 THR 74 1HG2 THR 74 -3.883 2.050 8.406 588 HG23 THR 74 2HG2 THR 74 -2.399 1.674 9.280 589 H GLU 75 H GLU 75 0.252 0.237 7.242 590 HA GLU 75 HA GLU 75 1.129 2.269 8.978 591 HB2 GLU 75 2HB GLU 75 2.775 0.339 7.331 592 HB3 GLU 75 3HB GLU 75 3.412 1.340 8.627 593 HG2 GLU 75 2HG GLU 75 1.780 0.185 10.167 594 HG3 GLU 75 3HG GLU 75 1.453 -0.934 8.844 595 H VAL 76 H VAL 76 1.745 1.790 5.495 596 HA VAL 76 HA VAL 76 3.418 4.033 5.126 597 HB VAL 76 HB VAL 76 1.538 2.738 3.131 598 HG11 VAL 76 1HG1 VAL 76 3.892 4.572 2.643 599 HG12 VAL 76 2HG1 VAL 76 2.193 4.980 2.406 600 HG13 VAL 76 3HG1 VAL 76 2.949 3.746 1.400 601 HG21 VAL 76 3HG2 VAL 76 3.529 1.526 2.360 602 HG22 VAL 76 1HG2 VAL 76 3.165 1.163 4.046 603 HG23 VAL 76 2HG2 VAL 76 4.481 2.268 3.646 604 H ILE 77 H ILE 77 -0.116 3.708 4.798 605 HA ILE 77 HA ILE 77 -0.691 6.357 4.058 606 HB ILE 77 HB ILE 77 -2.372 4.383 5.622 607 HG12 ILE 77 2HG1 ILE 77 -2.367 5.122 2.678 608 HG13 ILE 77 3HG1 ILE 77 -1.712 3.637 3.358 609 HG21 ILE 77 1HG2 ILE 77 -3.185 6.651 6.005 610 HG22 ILE 77 2HG2 ILE 77 -4.311 5.750 4.991 611 HG23 ILE 77 3HG2 ILE 77 -3.233 6.945 4.266 612 HD11 ILE 77 3HD1 ILE 77 -3.946 2.990 4.095 613 HD12 ILE 77 1HD1 ILE 77 -3.883 3.262 2.355 614 HD13 ILE 77 2HD1 ILE 77 -4.601 4.477 3.411 615 H ASN 78 H ASN 78 -0.714 4.872 7.305 616 HA ASN 78 HA ASN 78 -1.226 7.219 8.761 617 HB2 ASN 78 2HB ASN 78 0.264 4.724 9.603 618 HB3 ASN 78 3HB ASN 78 -0.276 5.986 10.706 619 HD21 ASN 78 1HD2 ASN 78 -1.009 3.247 10.776 620 HD22 ASN 78 2HD2 ASN 78 -2.718 3.174 10.551 621 H PHE 79 H PHE 79 1.775 5.847 7.551 622 HA PHE 79 HA PHE 79 3.590 7.510 8.937 623 HB2 PHE 79 2HB PHE 79 4.185 5.405 7.724 624 HB3 PHE 79 3HB PHE 79 3.924 6.241 6.201 625 HD1 PHE 79 HD2 PHE 79 5.924 6.493 9.339 626 HD2 PHE 79 HD1 PHE 79 5.733 7.240 5.148 627 HE1 PHE 79 HE2 PHE 79 8.276 7.202 9.362 628 HE2 PHE 79 HE1 PHE 79 8.087 7.953 5.168 629 HZ PHE 79 HZ PHE 79 9.361 7.932 7.275 630 H TRP 80 H TRP 80 2.187 7.795 5.668 631 HA TRP 80 HA TRP 80 3.282 10.260 4.947 632 HB2 TRP 80 2HB TRP 80 2.078 8.770 3.392 633 HB3 TRP 80 3HB TRP 80 0.565 9.122 4.216 634 HD1 TRP 80 HD1 TRP 80 3.134 10.730 1.859 635 HE1 TRP 80 HE1 TRP 80 2.030 12.744 0.697 636 HE3 TRP 80 HE3 TRP 80 -1.268 10.855 4.458 637 HZ2 TRP 80 HZ2 TRP 80 -0.387 14.198 0.866 638 HZ3 TRP 80 HZ3 TRP 80 -2.924 12.590 3.899 639 HH2 TRP 80 HH2 TRP 80 -2.491 14.227 2.138 640 H GLN 81 H GLN 81 0.162 9.596 6.553 641 HA GLN 81 HA GLN 81 -0.631 12.270 6.954 642 HB2 GLN 81 2HB GLN 81 -2.169 10.377 7.195 643 HB3 GLN 81 3HB GLN 81 -1.267 9.799 8.589 644 HG2 GLN 81 2HG GLN 81 -1.882 11.847 9.815 645 HG3 GLN 81 3HG GLN 81 -2.815 12.385 8.418 646 HE21 GLN 81 1HE2 GLN 81 -2.664 10.134 11.065 647 HE22 GLN 81 2HE2 GLN 81 -4.299 9.593 10.956 648 H ASP 82 H ASP 82 1.333 10.098 8.917 649 HA ASP 82 HA ASP 82 1.567 11.610 11.259 650 HB2 ASP 82 2HB ASP 82 2.283 9.208 10.848 651 HB3 ASP 82 3HB ASP 82 3.720 9.848 10.063 652 H LEU 83 H LEU 83 3.659 11.522 8.385 653 HA LEU 83 HA LEU 83 5.433 13.577 9.192 654 HB2 LEU 83 2HB LEU 83 4.703 12.774 6.369 655 HB3 LEU 83 3HB LEU 83 6.155 13.620 6.874 656 HG LEU 83 HG LEU 83 5.434 10.760 7.542 657 HD11 LEU 83 1HD1 LEU 83 7.344 10.194 6.125 658 HD12 LEU 83 2HD1 LEU 83 7.560 11.901 5.733 659 HD13 LEU 83 3HD1 LEU 83 6.096 11.056 5.227 660 HD21 LEU 83 3HD2 LEU 83 7.893 12.355 8.275 661 HD22 LEU 83 1HD2 LEU 83 7.667 10.626 8.547 662 HD23 LEU 83 2HD2 LEU 83 6.644 11.791 9.388 663 H LYS 84 H LYS 84 2.455 13.612 7.263 664 HA LYS 84 HA LYS 84 2.526 16.253 6.353 665 HB2 LYS 84 2HB LYS 84 0.942 14.463 5.588 666 HB3 LYS 84 3HB LYS 84 0.043 14.675 7.084 667 HG2 LYS 84 2HG LYS 84 -1.095 15.868 5.357 668 HG3 LYS 84 3HG LYS 84 -0.355 17.053 6.435 669 HD2 LYS 84 2HD LYS 84 1.479 17.382 4.875 670 HD3 LYS 84 3HD LYS 84 0.839 16.122 3.817 671 HE2 LYS 84 2HE LYS 84 0.252 18.260 2.898 672 HE3 LYS 84 3HE LYS 84 -1.215 17.503 3.516 673 HZ1 LYS 84 3HZ LYS 84 -1.042 19.871 4.080 674 HZ2 LYS 84 1HZ LYS 84 0.368 19.565 4.959 675 HZ3 LYS 84 2HZ LYS 84 -1.104 18.902 5.461 676 H ASN 85 H ASN 85 1.018 14.959 9.324 677 HA ASN 85 HA ASN 85 0.028 17.458 10.228 678 HB2 ASN 85 2HB ASN 85 0.638 14.924 11.766 679 HB3 ASN 85 3HB ASN 85 -0.217 16.311 12.435 680 HD21 ASN 85 1HD2 ASN 85 -1.190 13.633 12.165 681 HD22 ASN 85 2HD2 ASN 85 -2.573 13.707 11.135 682 H GLN 86 H GLN 86 3.043 15.714 10.923 683 HA GLN 86 HA GLN 86 3.927 17.800 12.760 684 HB2 GLN 86 2HB GLN 86 5.299 15.273 11.826 685 HB3 GLN 86 3HB GLN 86 5.895 16.345 13.088 686 HG2 GLN 86 2HG GLN 86 3.969 15.854 14.468 687 HG3 GLN 86 3HG GLN 86 3.270 14.865 13.186 688 HE21 GLN 86 1HE2 GLN 86 4.217 12.884 12.700 689 HE22 GLN 86 2HE2 GLN 86 5.260 12.075 13.809 690 H ASN 87 H ASN 87 3.895 17.607 9.492 691 HA ASN 87 HA ASN 87 4.931 18.746 7.822 692 HB2 ASN 87 2HB ASN 87 6.172 20.291 10.112 693 HB3 ASN 87 3HB ASN 87 6.235 20.773 8.417 694 HD21 ASN 87 1HD2 ASN 87 4.178 20.353 11.192 695 HD22 ASN 87 2HD2 ASN 87 2.858 21.289 10.593 696 H LYS 88 H LYS 88 6.317 16.409 9.249 697 HA LYS 88 HA LYS 88 9.127 16.829 8.995 698 HB2 LYS 88 2HB LYS 88 7.536 14.255 9.070 699 HB3 LYS 88 3HB LYS 88 9.289 14.344 9.153 700 HG2 LYS 88 2HG LYS 88 9.126 15.597 11.254 701 HG3 LYS 88 3HG LYS 88 7.365 15.509 11.166 702 HD2 LYS 88 2HD LYS 88 7.486 13.053 11.253 703 HD3 LYS 88 3HD LYS 88 9.245 13.145 11.346 704 HE2 LYS 88 2HE LYS 88 7.339 14.322 13.375 705 HE3 LYS 88 3HE LYS 88 8.157 12.771 13.544 706 HZ1 LYS 88 3HZ LYS 88 10.273 13.904 13.520 707 HZ2 LYS 88 1HZ LYS 88 9.289 14.542 14.736 708 HZ3 LYS 88 2HZ LYS 88 9.512 15.401 13.301 709 H GLN 89 H GLN 89 9.452 17.718 6.933 710 HA GLN 89 HA GLN 89 8.660 16.286 4.552 711 HB2 GLN 89 2HB GLN 89 10.526 18.655 4.864 712 HB3 GLN 89 3HB GLN 89 9.840 18.075 3.349 713 HG2 GLN 89 2HG GLN 89 7.608 18.654 4.088 714 HG3 GLN 89 3HG GLN 89 8.219 19.119 5.673 715 HE21 GLN 89 1HE2 GLN 89 7.902 20.036 2.348 716 HE22 GLN 89 2HE2 GLN 89 8.420 21.671 2.545 717 H ILE 90 H ILE 90 9.849 14.333 5.604 718 HA ILE 90 HA ILE 90 12.724 14.305 5.468 719 HB ILE 90 HB ILE 90 12.591 11.980 6.143 720 HG12 ILE 90 2HG1 ILE 90 9.584 12.228 5.811 721 HG13 ILE 90 3HG1 ILE 90 10.646 11.338 4.725 722 HG21 ILE 90 1HG2 ILE 90 11.403 12.250 8.272 723 HG22 ILE 90 2HG2 ILE 90 10.582 13.675 7.636 724 HG23 ILE 90 3HG2 ILE 90 12.330 13.697 7.866 725 HD11 ILE 90 3HD1 ILE 90 11.244 9.830 6.545 726 HD12 ILE 90 1HD1 ILE 90 9.504 9.851 6.254 727 HD13 ILE 90 2HD1 ILE 90 10.176 10.721 7.632 728 H SER 91 H SER 91 13.635 12.131 4.405 729 HA SER 91 HA SER 91 13.068 12.445 1.540 730 HB2 SER 91 2HB SER 91 15.277 11.474 1.161 731 HB3 SER 91 3HB SER 91 15.397 12.807 2.309 732 HG SER 91 HG SER 91 15.882 11.438 3.882 733 H MET 92 H MET 92 13.281 10.531 0.143 734 HA MET 92 HA MET 92 11.523 8.464 0.731 735 HB2 MET 92 2HB MET 92 12.112 9.022 -1.545 736 HB3 MET 92 3HB MET 92 13.793 8.595 -1.266 737 HG2 MET 92 2HG MET 92 13.127 6.250 -0.945 738 HG3 MET 92 3HG MET 92 11.453 6.694 -1.277 739 HE1 MET 92 3HE MET 92 13.203 4.423 -2.768 740 HE2 MET 92 1HE MET 92 12.705 4.656 -4.445 741 HE3 MET 92 2HE MET 92 11.505 4.708 -3.153 742 H ALA 93 H ALA 93 14.958 8.697 1.387 743 HA ALA 93 HA ALA 93 15.677 6.033 1.648 744 HB1 ALA 93 3HB ALA 93 16.689 8.347 3.305 745 HB2 ALA 93 1HB ALA 93 17.267 7.899 1.698 746 HB3 ALA 93 2HB ALA 93 17.504 6.803 3.059 747 H GLU 94 H GLU 94 14.432 8.178 4.240 748 HA GLU 94 HA GLU 94 14.526 6.198 6.259 749 HB2 GLU 94 2HB GLU 94 12.852 8.712 6.098 750 HB3 GLU 94 3HB GLU 94 13.044 7.727 7.544 751 HG2 GLU 94 2HG GLU 94 15.513 8.135 7.398 752 HG3 GLU 94 3HG GLU 94 15.187 9.271 6.092 753 H ALA 95 H ALA 95 11.972 7.116 3.988 754 HA ALA 95 HA ALA 95 9.903 5.500 5.001 755 HB1 ALA 95 3HB ALA 95 9.542 7.175 3.253 756 HB2 ALA 95 1HB ALA 95 8.956 5.591 2.740 757 HB3 ALA 95 2HB ALA 95 10.489 6.209 2.119 758 H GLN 96 H GLN 96 12.451 4.772 2.623 759 HA GLN 96 HA GLN 96 11.804 2.014 2.325 760 HB2 GLN 96 2HB GLN 96 14.300 3.612 1.716 761 HB3 GLN 96 3HB GLN 96 14.169 1.891 1.368 762 HG2 GLN 96 2HG GLN 96 12.295 3.988 0.276 763 HG3 GLN 96 3HG GLN 96 13.707 3.364 -0.580 764 HE21 GLN 96 1HE2 GLN 96 10.541 2.566 0.662 765 HE22 GLN 96 2HE2 GLN 96 10.329 1.127 -0.267 766 H GLY 97 H GLY 97 13.522 3.778 4.744 767 HA2 GLY 97 2HA GLY 97 15.046 1.646 5.847 768 HA3 GLY 97 3HA GLY 97 14.576 3.118 6.680 769 H LYS 98 H LYS 98 11.805 2.912 6.640 770 HA LYS 98 HA LYS 98 11.365 0.883 8.657 771 HB2 LYS 98 2HB LYS 98 10.385 3.189 8.776 772 HB3 LYS 98 3HB LYS 98 9.335 2.757 7.430 773 HG2 LYS 98 2HG LYS 98 8.390 0.921 8.803 774 HG3 LYS 98 3HG LYS 98 9.389 1.459 10.154 775 HD2 LYS 98 2HD LYS 98 8.268 3.675 10.023 776 HD3 LYS 98 3HD LYS 98 7.203 3.020 8.780 777 HE2 LYS 98 2HE LYS 98 7.433 2.089 11.645 778 HE3 LYS 98 3HE LYS 98 6.078 2.951 10.920 779 HZ1 LYS 98 3HZ LYS 98 5.560 0.627 11.079 780 HZ2 LYS 98 1HZ LYS 98 6.977 0.197 10.263 781 HZ3 LYS 98 2HZ LYS 98 5.751 1.016 9.446 782 H PHE 99 H PHE 99 10.561 1.334 5.272 783 HA PHE 99 HA PHE 99 9.033 -1.200 5.294 784 HB2 PHE 99 2HB PHE 99 8.745 1.089 3.333 785 HB3 PHE 99 3HB PHE 99 7.758 -0.365 3.399 786 HD1 PHE 99 HD2 PHE 99 6.369 -0.756 5.517 787 HD2 PHE 99 HD1 PHE 99 8.119 2.999 4.524 788 HE1 PHE 99 HE2 PHE 99 4.797 0.380 7.031 789 HE2 PHE 99 HE1 PHE 99 6.554 4.135 6.042 790 HZ PHE 99 HZ PHE 99 4.888 2.824 7.295 791 HA PRO 100 HA PRO 100 12.884 -1.795 2.694 792 HB2 PRO 100 2HB PRO 100 13.508 -4.283 3.590 793 HB3 PRO 100 3HB PRO 100 13.991 -2.814 4.445 794 HG2 PRO 100 2HG PRO 100 11.664 -4.634 4.982 795 HG3 PRO 100 3HG PRO 100 12.818 -3.928 6.134 796 HD2 PRO 100 2HD PRO 100 10.351 -2.884 5.740 797 HD3 PRO 100 3HD PRO 100 11.754 -1.868 6.125 798 H GLU 101 H GLU 101 9.994 -3.702 3.151 799 HA GLU 101 HA GLU 101 10.479 -5.183 0.651 800 HB2 GLU 101 2HB GLU 101 8.394 -5.638 2.798 801 HB3 GLU 101 3HB GLU 101 8.601 -6.627 1.357 802 HG2 GLU 101 2HG GLU 101 10.912 -7.161 2.139 803 HG3 GLU 101 3HG GLU 101 10.549 -6.300 3.636 804 H VAL 102 H VAL 102 9.107 -2.326 1.464 805 HA VAL 102 HA VAL 102 6.828 -2.600 -0.392 806 HB VAL 102 HB VAL 102 7.446 -0.374 1.569 807 HG11 VAL 102 1HG1 VAL 102 5.042 -0.782 -0.216 808 HG12 VAL 102 2HG1 VAL 102 6.261 0.482 -0.381 809 HG13 VAL 102 3HG1 VAL 102 5.196 0.460 1.026 810 HG21 VAL 102 3HG2 VAL 102 5.344 -2.549 1.657 811 HG22 VAL 102 1HG2 VAL 102 5.505 -1.228 2.816 812 HG23 VAL 102 2HG2 VAL 102 6.775 -2.445 2.683 813 H VAL 103 H VAL 103 7.015 -1.821 -2.399 814 HA VAL 103 HA VAL 103 9.486 -0.455 -3.124 815 HB VAL 103 HB VAL 103 7.293 -1.539 -4.904 816 HG11 VAL 103 1HG1 VAL 103 10.100 -0.651 -5.593 817 HG12 VAL 103 2HG1 VAL 103 8.611 0.197 -6.010 818 HG13 VAL 103 3HG1 VAL 103 8.947 -1.387 -6.707 819 HG21 VAL 103 3HG2 VAL 103 8.801 -3.437 -5.287 820 HG22 VAL 103 1HG2 VAL 103 8.343 -3.307 -3.588 821 HG23 VAL 103 2HG2 VAL 103 9.938 -2.770 -4.114 822 H PHE 104 H PHE 104 9.371 1.705 -2.738 823 HA PHE 104 HA PHE 104 7.036 3.261 -3.489 824 HB2 PHE 104 2HB PHE 104 9.715 4.001 -2.304 825 HB3 PHE 104 3HB PHE 104 8.547 5.217 -2.805 826 HD1 PHE 104 HD1 PHE 104 8.739 2.141 -0.685 827 HD2 PHE 104 HD2 PHE 104 7.064 6.021 -1.224 828 HE1 PHE 104 HE1 PHE 104 7.640 1.968 1.507 829 HE2 PHE 104 HE2 PHE 104 5.960 5.849 0.970 830 HZ PHE 104 HZ PHE 104 6.250 3.822 2.337 831 H SER 105 H SER 105 7.039 4.949 -5.062 832 HA SER 105 HA SER 105 9.230 4.947 -7.025 833 HB2 SER 105 2HB SER 105 6.313 4.531 -7.756 834 HB3 SER 105 3HB SER 105 7.614 4.818 -8.910 835 HG SER 105 HG SER 105 8.166 2.776 -7.176 836 H GLY 106 H GLY 106 9.127 6.785 -8.540 837 HA2 GLY 106 2HA GLY 106 7.732 9.112 -7.340 838 HA3 GLY 106 3HA GLY 106 9.389 9.190 -7.916 839 H SER 107 H SER 107 7.453 10.965 -8.795 840 HA SER 107 HA SER 107 6.397 9.982 -11.343 841 HB2 SER 107 2HB SER 107 5.909 12.554 -9.829 842 HB3 SER 107 3HB SER 107 5.173 12.167 -11.383 843 HG SER 107 HG SER 107 4.505 11.316 -8.893 844 H ASN 108 H ASN 108 9.329 10.966 -10.696 845 HA ASN 108 HA ASN 108 9.560 13.022 -12.769 846 HB2 ASN 108 2HB ASN 108 11.896 13.247 -12.043 847 HB3 ASN 108 3HB ASN 108 10.789 13.397 -10.683 848 HD21 ASN 108 1HD2 ASN 108 10.739 11.774 -9.124 849 HD22 ASN 108 2HD2 ASN 108 11.977 10.574 -9.009 850 H LEU 109 H LEU 109 9.691 9.669 -12.576 851 HA LEU 109 HA LEU 109 11.765 9.173 -14.500 852 HB2 LEU 109 2HB LEU 109 9.546 7.425 -13.422 853 HB3 LEU 109 3HB LEU 109 10.726 6.863 -14.590 854 HG LEU 109 HG LEU 109 12.531 7.383 -12.921 855 HD11 LEU 109 1HD1 LEU 109 10.200 7.774 -11.044 856 HD12 LEU 109 2HD1 LEU 109 11.372 8.997 -11.534 857 HD13 LEU 109 3HD1 LEU 109 11.890 7.620 -10.561 858 HD21 LEU 109 3HD2 LEU 109 12.124 5.391 -11.562 859 HD22 LEU 109 1HD2 LEU 109 11.710 5.114 -13.253 860 HD23 LEU 109 2HD2 LEU 109 10.433 5.386 -12.068 861 H GLU 110 H GLU 110 11.072 7.712 -16.495 862 HA GLU 110 HA GLU 110 9.793 9.346 -18.362 863 HB2 GLU 110 2HB GLU 110 11.384 7.484 -18.874 864 HB3 GLU 110 3HB GLU 110 10.112 6.332 -18.505 865 HG2 GLU 110 2HG GLU 110 9.879 8.403 -20.682 866 HG3 GLU 110 3HG GLU 110 10.534 6.791 -20.946 867 H HIS 111 H HIS 111 8.495 6.525 -16.599 868 HA HIS 111 HA HIS 111 5.935 6.592 -17.818 869 HB2 HIS 111 2HB HIS 111 6.668 5.486 -15.096 870 HB3 HIS 111 3HB HIS 111 5.213 5.108 -16.011 871 HD1 HIS 111 HD1 HIS 111 7.017 4.836 -18.764 872 HD2 HIS 111 HD2 HIS 111 7.442 2.794 -15.165 873 HE1 HIS 111 HE1 HIS 111 8.213 2.706 -19.333 874 HE2 HIS 111 HE2 HIS 111 8.346 1.433 -17.167 875 H HIS 112 H HIS 112 5.108 8.690 -17.792 876 HA HIS 112 HA HIS 112 4.505 9.884 -15.172 877 HB2 HIS 112 2HB HIS 112 4.269 11.008 -17.975 878 HB3 HIS 112 3HB HIS 112 3.787 11.869 -16.518 879 HD1 HIS 112 HD1 HIS 112 5.712 12.581 -14.880 880 HD2 HIS 112 HD2 HIS 112 6.988 11.050 -18.522 881 HE1 HIS 112 HE1 HIS 112 8.129 13.212 -15.057 882 HE2 HIS 112 HE2 HIS 112 8.930 12.057 -17.137 883 H HIS 113 H HIS 113 2.387 10.413 -14.533 884 HA HIS 113 HA HIS 113 0.376 8.554 -15.282 885 HB2 HIS 113 2HB HIS 113 -1.092 9.801 -13.750 886 HB3 HIS 113 3HB HIS 113 0.482 9.512 -13.022 887 HD1 HIS 113 HD1 HIS 113 1.934 11.569 -12.492 888 HD2 HIS 113 HD2 HIS 113 -1.678 12.506 -14.317 889 HE1 HIS 113 HE1 HIS 113 1.677 14.048 -12.236 890 HE2 HIS 113 HE2 HIS 113 -0.578 14.570 -13.213 891 H HIS 114 H HIS 114 -1.487 8.772 -16.515 892 HA HIS 114 HA HIS 114 -1.872 11.311 -17.964 893 HB2 HIS 114 2HB HIS 114 -2.369 10.010 -20.042 894 HB3 HIS 114 3HB HIS 114 -0.691 9.910 -19.522 895 HD1 HIS 114 HD1 HIS 114 0.222 7.621 -18.954 896 HD2 HIS 114 HD2 HIS 114 -3.857 7.584 -19.724 897 HE1 HIS 114 HE1 HIS 114 -0.403 5.199 -19.111 898 HE2 HIS 114 HE2 HIS 114 -2.905 5.207 -19.335 899 H HIS 115 H HIS 115 -3.909 12.027 -17.943 900 HA HIS 115 HA HIS 115 -6.046 10.285 -16.973 901 HB2 HIS 115 2HB HIS 115 -6.001 13.260 -17.549 902 HB3 HIS 115 3HB HIS 115 -7.391 12.389 -16.911 903 HD1 HIS 115 HD1 HIS 115 -7.378 11.804 -14.423 904 HD2 HIS 115 HD2 HIS 115 -3.850 13.586 -15.706 905 HE1 HIS 115 HE1 HIS 115 -6.101 12.353 -12.332 906 HE2 HIS 115 HE2 HIS 115 -4.044 13.559 -13.127 907 H HIS 116 H HIS 116 -5.184 12.113 -19.875 908 HA HIS 116 HA HIS 116 -7.365 10.759 -21.336 909 HB2 HIS 116 2HB HIS 116 -5.904 13.328 -21.982 910 HB3 HIS 116 3HB HIS 116 -7.047 12.545 -23.066 911 HD1 HIS 116 HD1 HIS 116 -7.833 15.278 -22.397 912 HD2 HIS 116 HD2 HIS 116 -8.791 12.111 -19.881 913 HE1 HIS 116 HE1 HIS 116 -9.776 16.077 -21.025 914 HE2 HIS 116 HE2 HIS 116 -10.404 14.114 -19.586 Start of MODEL 8 1 H1 MET 1 1H MET 1 11.346 -30.442 -0.488 2 H2 MET 1 2H MET 1 10.657 -29.542 -1.743 3 H3 MET 1 3H MET 1 11.432 -31.008 -2.077 4 HA MET 1 HA MET 1 9.773 -32.237 -0.874 5 HB2 MET 1 2HB MET 1 8.475 -29.531 -0.444 6 HB3 MET 1 3HB MET 1 7.771 -31.080 0.001 7 HG2 MET 1 2HG MET 1 10.301 -29.899 1.144 8 HG3 MET 1 3HG MET 1 8.721 -29.939 1.930 9 HE1 MET 1 3HE MET 1 7.575 -32.115 2.884 10 HE2 MET 1 1HE MET 1 8.198 -33.744 2.622 11 HE3 MET 1 2HE MET 1 7.589 -32.804 1.260 12 H ALA 2 H ALA 2 8.066 -33.123 -2.043 13 HA ALA 2 HA ALA 2 7.770 -32.204 -4.763 14 HB1 ALA 2 3HB ALA 2 7.949 -34.593 -4.265 15 HB2 ALA 2 1HB ALA 2 6.425 -34.228 -5.074 16 HB3 ALA 2 2HB ALA 2 6.452 -34.521 -3.334 17 H ALA 3 H ALA 3 6.396 -30.608 -5.272 18 HA ALA 3 HA ALA 3 3.642 -30.678 -4.315 19 HB1 ALA 3 3HB ALA 3 4.767 -29.325 -2.621 20 HB2 ALA 3 1HB ALA 3 3.656 -28.342 -3.575 21 HB3 ALA 3 2HB ALA 3 5.393 -28.255 -3.876 22 H SER 4 H SER 4 2.175 -29.582 -5.646 23 HA SER 4 HA SER 4 3.137 -28.994 -8.345 24 HB2 SER 4 2HB SER 4 0.759 -28.991 -8.966 25 HB3 SER 4 3HB SER 4 1.155 -30.445 -8.049 26 HG SER 4 HG SER 4 -0.724 -29.621 -7.197 27 H THR 5 H THR 5 1.459 -27.395 -5.685 28 HA THR 5 HA THR 5 0.704 -24.997 -6.830 29 HB THR 5 HB THR 5 1.702 -25.490 -4.011 30 HG1 THR 5 HG1 THR 5 -0.870 -25.551 -5.237 31 HG21 THR 5 3HG2 THR 5 0.448 -23.464 -3.387 32 HG22 THR 5 1HG2 THR 5 0.108 -23.155 -5.088 33 HG23 THR 5 2HG2 THR 5 1.769 -23.091 -4.497 34 H VAL 6 H VAL 6 1.899 -23.617 -7.998 35 HA VAL 6 HA VAL 6 4.714 -23.370 -7.852 36 HB VAL 6 HB VAL 6 3.445 -22.810 -9.883 37 HG11 VAL 6 1HG1 VAL 6 2.473 -20.401 -8.335 38 HG12 VAL 6 2HG1 VAL 6 1.492 -21.764 -8.875 39 HG13 VAL 6 3HG1 VAL 6 2.226 -20.683 -10.060 40 HG21 VAL 6 3HG2 VAL 6 5.691 -21.902 -9.622 41 HG22 VAL 6 1HG2 VAL 6 5.043 -20.484 -8.795 42 HG23 VAL 6 2HG2 VAL 6 4.663 -20.766 -10.494 43 H HIS 7 H HIS 7 2.150 -21.828 -6.102 44 HA HIS 7 HA HIS 7 2.161 -20.516 -4.245 45 HB2 HIS 7 2HB HIS 7 4.070 -21.833 -3.464 46 HB3 HIS 7 3HB HIS 7 5.172 -20.829 -4.393 47 HD1 HIS 7 HD1 HIS 7 5.711 -18.480 -3.460 48 HD2 HIS 7 HD2 HIS 7 3.248 -20.755 -1.010 49 HE1 HIS 7 HE1 HIS 7 5.716 -17.316 -1.242 50 HE2 HIS 7 HE2 HIS 7 4.421 -18.842 0.276 51 H THR 8 H THR 8 1.277 -18.851 -5.578 52 HA THR 8 HA THR 8 3.016 -16.791 -6.652 53 HB THR 8 HB THR 8 -0.010 -16.807 -6.395 54 HG1 THR 8 HG1 THR 8 -0.005 -17.981 -8.152 55 HG21 THR 8 3HG2 THR 8 1.791 -15.076 -8.107 56 HG22 THR 8 1HG2 THR 8 0.937 -14.541 -6.658 57 HG23 THR 8 2HG2 THR 8 0.027 -15.039 -8.084 58 H SER 9 H SER 9 3.944 -15.370 -5.305 59 HA SER 9 HA SER 9 2.749 -14.743 -2.718 60 HB2 SER 9 2HB SER 9 5.365 -13.796 -3.925 61 HB3 SER 9 3HB SER 9 4.858 -13.572 -2.252 62 HG SER 9 HG SER 9 6.300 -15.458 -2.910 63 H PHE 10 H PHE 10 3.208 -12.245 -2.078 64 HA PHE 10 HA PHE 10 2.133 -10.540 -4.234 65 HB2 PHE 10 2HB PHE 10 1.121 -10.663 -1.380 66 HB3 PHE 10 3HB PHE 10 0.636 -9.448 -2.560 67 HD1 PHE 10 HD1 PHE 10 -0.605 -10.167 -4.617 68 HD2 PHE 10 HD2 PHE 10 0.121 -12.816 -1.355 69 HE1 PHE 10 HE1 PHE 10 -2.369 -11.669 -5.448 70 HE2 PHE 10 HE2 PHE 10 -1.634 -14.323 -2.190 71 HZ PHE 10 HZ PHE 10 -2.876 -13.753 -4.237 72 H ILE 11 H ILE 11 2.508 -8.283 -4.025 73 HA ILE 11 HA ILE 11 4.592 -7.443 -2.117 74 HB ILE 11 HB ILE 11 4.662 -6.866 -5.097 75 HG12 ILE 11 2HG1 ILE 11 6.482 -8.594 -3.390 76 HG13 ILE 11 3HG1 ILE 11 5.356 -9.166 -4.615 77 HG21 ILE 11 1HG2 ILE 11 6.808 -5.762 -4.641 78 HG22 ILE 11 2HG2 ILE 11 6.585 -6.041 -2.915 79 HG23 ILE 11 3HG2 ILE 11 5.479 -4.979 -3.786 80 HD11 ILE 11 3HD1 ILE 11 7.627 -9.187 -5.445 81 HD12 ILE 11 1HD1 ILE 11 7.789 -7.463 -5.112 82 HD13 ILE 11 2HD1 ILE 11 6.653 -8.023 -6.341 83 H LEU 12 H LEU 12 4.499 -5.239 -1.533 84 HA LEU 12 HA LEU 12 2.093 -3.792 -2.449 85 HB2 LEU 12 2HB LEU 12 2.232 -4.268 -0.030 86 HB3 LEU 12 3HB LEU 12 3.751 -3.394 0.051 87 HG LEU 12 HG LEU 12 2.527 -1.317 -0.656 88 HD11 LEU 12 1HD1 LEU 12 0.623 -2.373 -1.760 89 HD12 LEU 12 2HD1 LEU 12 0.093 -1.271 -0.489 90 HD13 LEU 12 3HD1 LEU 12 0.070 -3.012 -0.210 91 HD21 LEU 12 3HD2 LEU 12 1.544 -2.644 1.875 92 HD22 LEU 12 1HD2 LEU 12 1.493 -0.915 1.528 93 HD23 LEU 12 2HD2 LEU 12 3.045 -1.735 1.692 94 H LYS 13 H LYS 13 2.411 -2.140 -3.832 95 HA LYS 13 HA LYS 13 4.989 -0.697 -3.736 96 HB2 LYS 13 2HB LYS 13 3.009 -0.793 -6.026 97 HB3 LYS 13 3HB LYS 13 4.552 0.049 -6.025 98 HG2 LYS 13 2HG LYS 13 5.447 -2.403 -5.478 99 HG3 LYS 13 3HG LYS 13 3.962 -2.846 -6.320 100 HD2 LYS 13 2HD LYS 13 6.272 -1.206 -7.367 101 HD3 LYS 13 3HD LYS 13 5.697 -2.765 -7.955 102 HE2 LYS 13 2HE LYS 13 4.139 -0.177 -8.097 103 HE3 LYS 13 3HE LYS 13 5.063 -0.876 -9.424 104 HZ1 LYS 13 3HZ LYS 13 3.615 -2.777 -9.427 105 HZ2 LYS 13 1HZ LYS 13 2.684 -1.372 -9.550 106 HZ3 LYS 13 2HZ LYS 13 2.771 -2.209 -8.081 107 H VAL 14 H VAL 14 5.036 1.501 -3.505 108 HA VAL 14 HA VAL 14 2.468 2.937 -3.280 109 HB VAL 14 HB VAL 14 4.840 3.199 -1.412 110 HG11 VAL 14 1HG1 VAL 14 2.256 4.774 -1.444 111 HG12 VAL 14 2HG1 VAL 14 3.857 5.393 -1.860 112 HG13 VAL 14 3HG1 VAL 14 3.515 4.873 -0.211 113 HG21 VAL 14 3HG2 VAL 14 3.261 2.463 0.322 114 HG22 VAL 14 1HG2 VAL 14 3.457 1.247 -0.940 115 HG23 VAL 14 2HG2 VAL 14 2.011 2.257 -0.906 116 H LEU 15 H LEU 15 2.422 4.399 -4.859 117 HA LEU 15 HA LEU 15 4.830 5.571 -5.952 118 HB2 LEU 15 2HB LEU 15 2.475 4.939 -7.081 119 HB3 LEU 15 3HB LEU 15 2.126 6.608 -6.676 120 HG LEU 15 HG LEU 15 4.367 5.624 -8.458 121 HD11 LEU 15 1HD1 LEU 15 2.201 5.490 -9.529 122 HD12 LEU 15 2HD1 LEU 15 3.144 6.805 -10.228 123 HD13 LEU 15 3HD1 LEU 15 1.848 7.162 -9.088 124 HD21 LEU 15 3HD2 LEU 15 4.804 7.999 -8.918 125 HD22 LEU 15 1HD2 LEU 15 5.114 7.580 -7.234 126 HD23 LEU 15 2HD2 LEU 15 3.640 8.447 -7.671 127 H TRP 16 H TRP 16 5.800 7.057 -4.711 128 HA TRP 16 HA TRP 16 4.338 8.755 -2.884 129 HB2 TRP 16 2HB TRP 16 6.598 7.672 -2.424 130 HB3 TRP 16 3HB TRP 16 7.296 8.848 -3.527 131 HD1 TRP 16 HD1 TRP 16 7.624 11.329 -2.616 132 HE1 TRP 16 HE1 TRP 16 7.457 12.361 -0.260 133 HE3 TRP 16 HE3 TRP 16 5.230 7.496 -0.221 134 HZ2 TRP 16 HZ2 TRP 16 6.436 11.642 2.277 135 HZ3 TRP 16 HZ3 TRP 16 4.697 7.746 2.168 136 HH2 TRP 16 HH2 TRP 16 5.289 9.777 3.390 137 H LEU 17 H LEU 17 3.203 10.359 -3.884 138 HA LEU 17 HA LEU 17 4.421 11.861 -6.087 139 HB2 LEU 17 2HB LEU 17 1.617 11.892 -4.960 140 HB3 LEU 17 3HB LEU 17 2.152 12.887 -6.301 141 HG LEU 17 HG LEU 17 2.128 9.861 -6.312 142 HD11 LEU 17 1HD1 LEU 17 -0.139 10.754 -6.236 143 HD12 LEU 17 2HD1 LEU 17 0.215 10.060 -7.818 144 HD13 LEU 17 3HD1 LEU 17 0.220 11.811 -7.603 145 HD21 LEU 17 3HD2 LEU 17 2.633 11.856 -8.526 146 HD22 LEU 17 1HD2 LEU 17 2.514 10.108 -8.725 147 HD23 LEU 17 2HD2 LEU 17 3.834 10.800 -7.783 148 H ASP 18 H ASP 18 4.203 14.217 -6.128 149 HA ASP 18 HA ASP 18 5.480 15.457 -3.986 150 HB2 ASP 18 2HB ASP 18 5.508 16.284 -6.305 151 HB3 ASP 18 3HB ASP 18 3.812 16.735 -6.170 152 H GLN 19 H GLN 19 2.023 15.322 -4.743 153 HA GLN 19 HA GLN 19 1.434 16.641 -2.158 154 HB2 GLN 19 2HB GLN 19 -0.091 16.872 -4.763 155 HB3 GLN 19 3HB GLN 19 -0.628 17.540 -3.226 156 HG2 GLN 19 2HG GLN 19 1.206 19.070 -3.160 157 HG3 GLN 19 3HG GLN 19 1.970 18.292 -4.547 158 HE21 GLN 19 1HE2 GLN 19 2.013 20.222 -5.703 159 HE22 GLN 19 2HE2 GLN 19 0.588 20.917 -6.388 160 H ASN 20 H ASN 20 1.320 13.702 -3.577 161 HA ASN 20 HA ASN 20 -1.014 12.828 -2.056 162 HB2 ASN 20 2HB ASN 20 -0.761 12.318 -5.036 163 HB3 ASN 20 3HB ASN 20 -1.950 11.565 -3.980 164 HD21 ASN 20 1HD2 ASN 20 -1.055 14.435 -5.674 165 HD22 ASN 20 2HD2 ASN 20 -2.509 15.313 -5.372 166 H VAL 21 H VAL 21 -1.272 10.314 -2.457 167 HA VAL 21 HA VAL 21 1.263 8.940 -2.876 168 HB VAL 21 HB VAL 21 1.534 9.391 -0.562 169 HG11 VAL 21 1HG1 VAL 21 -1.320 8.508 -0.147 170 HG12 VAL 21 2HG1 VAL 21 -0.717 10.164 -0.074 171 HG13 VAL 21 3HG1 VAL 21 -0.193 8.980 1.125 172 HG21 VAL 21 3HG2 VAL 21 0.314 6.632 -0.751 173 HG22 VAL 21 1HG2 VAL 21 1.394 7.204 0.520 174 HG23 VAL 21 2HG2 VAL 21 1.985 7.051 -1.137 175 H ALA 22 H ALA 22 0.764 7.317 -4.216 176 HA ALA 22 HA ALA 22 -1.943 6.151 -4.127 177 HB1 ALA 22 3HB ALA 22 0.106 6.002 -6.340 178 HB2 ALA 22 1HB ALA 22 -1.225 7.158 -6.260 179 HB3 ALA 22 2HB ALA 22 -1.563 5.433 -6.412 180 H ILE 23 H ILE 23 -2.273 4.045 -3.612 181 HA ILE 23 HA ILE 23 0.114 2.334 -3.234 182 HB ILE 23 HB ILE 23 -1.150 1.110 -1.507 183 HG12 ILE 23 2HG1 ILE 23 -3.252 3.270 -1.882 184 HG13 ILE 23 3HG1 ILE 23 -3.437 1.575 -2.325 185 HG21 ILE 23 1HG2 ILE 23 -1.033 2.815 0.239 186 HG22 ILE 23 2HG2 ILE 23 -0.999 4.083 -0.987 187 HG23 ILE 23 3HG2 ILE 23 0.339 2.941 -0.861 188 HD11 ILE 23 3HD1 ILE 23 -3.230 0.946 0.032 189 HD12 ILE 23 1HD1 ILE 23 -4.571 2.059 -0.242 190 HD13 ILE 23 2HD1 ILE 23 -3.067 2.648 0.467 191 H ALA 24 H ALA 24 0.066 0.186 -3.874 192 HA ALA 24 HA ALA 24 -2.306 -1.034 -4.990 193 HB1 ALA 24 3HB ALA 24 -1.399 -1.389 -7.237 194 HB2 ALA 24 1HB ALA 24 0.007 -0.404 -6.832 195 HB3 ALA 24 2HB ALA 24 -1.596 0.328 -6.891 196 H VAL 25 H VAL 25 -1.945 -3.296 -5.613 197 HA VAL 25 HA VAL 25 0.421 -4.472 -4.279 198 HB VAL 25 HB VAL 25 -2.365 -5.643 -4.553 199 HG11 VAL 25 1HG1 VAL 25 0.103 -6.803 -3.246 200 HG12 VAL 25 2HG1 VAL 25 -0.695 -7.405 -4.698 201 HG13 VAL 25 3HG1 VAL 25 -1.520 -7.484 -3.144 202 HG21 VAL 25 3HG2 VAL 25 -2.247 -3.877 -2.873 203 HG22 VAL 25 1HG2 VAL 25 -0.863 -4.667 -2.116 204 HG23 VAL 25 2HG2 VAL 25 -2.445 -5.449 -2.103 205 H ASP 26 H ASP 26 1.708 -5.776 -5.440 206 HA ASP 26 HA ASP 26 0.832 -6.677 -8.112 207 HB2 ASP 26 2HB ASP 26 3.620 -6.291 -6.976 208 HB3 ASP 26 3HB ASP 26 3.278 -6.956 -8.570 209 H GLN 27 H GLN 27 1.249 -8.857 -8.749 210 HA GLN 27 HA GLN 27 1.581 -10.724 -6.493 211 HB2 GLN 27 2HB GLN 27 0.363 -12.357 -7.811 212 HB3 GLN 27 3HB GLN 27 -0.558 -10.861 -7.736 213 HG2 GLN 27 2HG GLN 27 0.233 -10.273 -9.985 214 HG3 GLN 27 3HG GLN 27 1.120 -11.795 -10.060 215 HE21 GLN 27 1HE2 GLN 27 -0.050 -13.736 -10.235 216 HE22 GLN 27 2HE2 GLN 27 -1.691 -13.752 -10.764 217 H ILE 28 H ILE 28 3.230 -12.164 -6.455 218 HA ILE 28 HA ILE 28 5.256 -12.053 -8.530 219 HB ILE 28 HB ILE 28 5.197 -13.665 -5.963 220 HG12 ILE 28 2HG1 ILE 28 6.585 -11.065 -6.685 221 HG13 ILE 28 3HG1 ILE 28 5.266 -11.267 -5.535 222 HG21 ILE 28 1HG2 ILE 28 7.596 -14.030 -6.356 223 HG22 ILE 28 2HG2 ILE 28 7.468 -13.196 -7.905 224 HG23 ILE 28 3HG2 ILE 28 6.616 -14.718 -7.652 225 HD11 ILE 28 3HD1 ILE 28 8.054 -12.366 -5.253 226 HD12 ILE 28 1HD1 ILE 28 6.734 -12.613 -4.111 227 HD13 ILE 28 2HD1 ILE 28 7.369 -10.993 -4.386 228 H VAL 29 H VAL 29 4.558 -13.065 -10.320 229 HA VAL 29 HA VAL 29 3.170 -15.606 -10.267 230 HB VAL 29 HB VAL 29 4.287 -14.105 -12.653 231 HG11 VAL 29 1HG1 VAL 29 3.731 -16.417 -13.166 232 HG12 VAL 29 2HG1 VAL 29 2.582 -15.324 -13.937 233 HG13 VAL 29 3HG1 VAL 29 2.117 -16.202 -12.480 234 HG21 VAL 29 3HG2 VAL 29 1.533 -13.907 -11.427 235 HG22 VAL 29 1HG2 VAL 29 2.062 -13.128 -12.918 236 HG23 VAL 29 2HG2 VAL 29 2.784 -12.664 -11.378 237 H GLY 30 H GLY 30 3.970 -17.568 -11.278 238 HA2 GLY 30 2HA GLY 30 6.545 -18.403 -10.705 239 HA3 GLY 30 3HA GLY 30 5.542 -19.122 -11.956 240 H LYS 31 H LYS 31 5.426 -16.711 -13.568 241 HA LYS 31 HA LYS 31 7.890 -16.864 -15.017 242 HB2 LYS 31 2HB LYS 31 5.762 -16.469 -16.155 243 HB3 LYS 31 3HB LYS 31 5.542 -14.965 -15.270 244 HG2 LYS 31 2HG LYS 31 7.542 -14.039 -16.378 245 HG3 LYS 31 3HG LYS 31 7.709 -15.539 -17.296 246 HD2 LYS 31 2HD LYS 31 5.346 -13.648 -17.398 247 HD3 LYS 31 3HD LYS 31 6.612 -13.782 -18.618 248 HE2 LYS 31 2HE LYS 31 5.962 -16.129 -19.005 249 HE3 LYS 31 3HE LYS 31 4.669 -15.954 -17.822 250 HZ1 LYS 31 3HZ LYS 31 4.913 -14.388 -20.329 251 HZ2 LYS 31 1HZ LYS 31 3.650 -14.283 -19.216 252 HZ3 LYS 31 2HZ LYS 31 3.880 -15.703 -20.102 253 H GLY 32 H GLY 32 6.415 -14.394 -12.914 254 HA2 GLY 32 2HA GLY 32 8.842 -13.351 -11.965 255 HA3 GLY 32 3HA GLY 32 8.340 -12.364 -13.329 256 H THR 33 H THR 33 7.097 -10.649 -12.848 257 HA THR 33 HA THR 33 5.249 -10.798 -10.552 258 HB THR 33 HB THR 33 5.795 -8.523 -9.836 259 HG1 THR 33 HG1 THR 33 7.232 -8.511 -12.178 260 HG21 THR 33 3HG2 THR 33 8.022 -8.915 -8.873 261 HG22 THR 33 1HG2 THR 33 8.266 -10.260 -9.988 262 HG23 THR 33 2HG2 THR 33 7.008 -10.354 -8.755 263 H SER 34 H SER 34 3.371 -9.549 -10.739 264 HA SER 34 HA SER 34 2.983 -7.892 -13.116 265 HB2 SER 34 2HB SER 34 2.372 -10.126 -13.928 266 HB3 SER 34 3HB SER 34 1.267 -10.336 -12.570 267 HG SER 34 HG SER 34 -0.186 -9.237 -13.618 268 HA PRO 35 HA PRO 35 0.709 -5.432 -10.139 269 HB2 PRO 35 2HB PRO 35 -0.793 -4.562 -12.572 270 HB3 PRO 35 3HB PRO 35 -0.008 -3.586 -11.325 271 HG2 PRO 35 2HG PRO 35 1.117 -3.870 -13.719 272 HG3 PRO 35 3HG PRO 35 2.111 -3.874 -12.247 273 HD2 PRO 35 2HD PRO 35 1.255 -6.173 -13.967 274 HD3 PRO 35 3HD PRO 35 2.800 -5.900 -13.133 275 H LEU 36 H LEU 36 -0.929 -6.095 -8.873 276 HA LEU 36 HA LEU 36 -3.001 -7.848 -9.990 277 HB2 LEU 36 2HB LEU 36 -1.735 -8.615 -8.020 278 HB3 LEU 36 3HB LEU 36 -2.298 -7.222 -7.115 279 HG LEU 36 HG LEU 36 -4.638 -8.062 -7.377 280 HD11 LEU 36 1HD1 LEU 36 -3.272 -10.506 -8.510 281 HD12 LEU 36 2HD1 LEU 36 -4.351 -9.411 -9.375 282 HD13 LEU 36 3HD1 LEU 36 -4.973 -10.397 -8.052 283 HD21 LEU 36 3HD2 LEU 36 -2.702 -9.951 -6.033 284 HD22 LEU 36 1HD2 LEU 36 -4.434 -9.844 -5.710 285 HD23 LEU 36 2HD2 LEU 36 -3.380 -8.482 -5.331 286 H THR 37 H THR 37 -2.757 -4.917 -7.940 287 HA THR 37 HA THR 37 -5.604 -4.354 -8.563 288 HB THR 37 HB THR 37 -5.771 -3.078 -6.508 289 HG1 THR 37 HG1 THR 37 -3.985 -2.267 -5.731 290 HG21 THR 37 3HG2 THR 37 -5.405 -4.864 -4.833 291 HG22 THR 37 1HG2 THR 37 -4.490 -5.776 -6.033 292 HG23 THR 37 2HG2 THR 37 -6.208 -5.457 -6.286 293 H SER 38 H SER 38 -6.196 -2.061 -8.726 294 HA SER 38 HA SER 38 -4.321 -0.536 -10.293 295 HB2 SER 38 2HB SER 38 -6.716 -0.471 -10.829 296 HB3 SER 38 3HB SER 38 -7.068 0.222 -9.246 297 HG SER 38 HG SER 38 -6.615 2.109 -10.042 298 H TYR 39 H TYR 39 -3.813 1.761 -9.825 299 HA TYR 39 HA TYR 39 -2.757 2.005 -7.141 300 HB2 TYR 39 2HB TYR 39 -2.550 3.823 -9.557 301 HB3 TYR 39 3HB TYR 39 -1.729 4.115 -8.026 302 HD1 TYR 39 HD1 TYR 39 -1.927 1.836 -10.935 303 HD2 TYR 39 HD2 TYR 39 0.273 2.932 -7.455 304 HE1 TYR 39 HE1 TYR 39 -0.059 0.421 -11.677 305 HE2 TYR 39 HE2 TYR 39 2.147 1.521 -8.190 306 HH TYR 39 HH TYR 39 2.422 0.273 -11.303 307 H PHE 40 H PHE 40 -4.062 2.668 -5.549 308 HA PHE 40 HA PHE 40 -6.252 4.538 -6.094 309 HB2 PHE 40 2HB PHE 40 -5.553 3.097 -3.518 310 HB3 PHE 40 3HB PHE 40 -7.051 3.957 -3.865 311 HD1 PHE 40 HD1 PHE 40 -8.359 3.109 -5.994 312 HD2 PHE 40 HD2 PHE 40 -5.498 0.798 -3.839 313 HE1 PHE 40 HE1 PHE 40 -9.343 1.045 -6.902 314 HE2 PHE 40 HE2 PHE 40 -6.478 -1.266 -4.752 315 HZ PHE 40 HZ PHE 40 -8.402 -1.145 -6.282 316 H PHE 41 H PHE 41 -6.248 6.650 -5.515 317 HA PHE 41 HA PHE 41 -3.713 7.710 -4.534 318 HB2 PHE 41 2HB PHE 41 -6.059 9.059 -5.884 319 HB3 PHE 41 3HB PHE 41 -4.600 9.898 -5.364 320 HD1 PHE 41 HD1 PHE 41 -6.014 7.540 -7.789 321 HD2 PHE 41 HD2 PHE 41 -2.509 9.612 -6.540 322 HE1 PHE 41 HE1 PHE 41 -4.929 6.986 -9.927 323 HE2 PHE 41 HE2 PHE 41 -1.417 9.059 -8.676 324 HZ PHE 41 HZ PHE 41 -2.628 7.747 -10.372 325 H TRP 42 H TRP 42 -3.619 7.767 -2.363 326 HA TRP 42 HA TRP 42 -5.711 9.070 -0.789 327 HB2 TRP 42 2HB TRP 42 -4.624 7.147 0.208 328 HB3 TRP 42 3HB TRP 42 -3.032 7.822 -0.097 329 HD1 TRP 42 HD1 TRP 42 -2.050 9.479 1.692 330 HE1 TRP 42 HE1 TRP 42 -2.777 10.189 4.030 331 HE3 TRP 42 HE3 TRP 42 -6.819 7.640 1.640 332 HZ2 TRP 42 HZ2 TRP 42 -5.064 10.019 5.661 333 HZ3 TRP 42 HZ3 TRP 42 -8.216 7.957 3.646 334 HH2 TRP 42 HH2 TRP 42 -7.354 9.123 5.617 335 HA PRO 43 HA PRO 43 -6.014 10.306 0.820 336 HB2 PRO 43 2HB PRO 43 -6.489 12.623 1.999 337 HB3 PRO 43 3HB PRO 43 -4.988 11.754 2.345 338 HG2 PRO 43 2HG PRO 43 -5.434 14.155 0.623 339 HG3 PRO 43 3HG PRO 43 -4.054 13.759 1.664 340 HD2 PRO 43 2HD PRO 43 -4.269 13.314 -1.143 341 HD3 PRO 43 3HD PRO 43 -2.976 12.745 -0.066 342 H ARG 44 H ARG 44 -6.253 11.243 -2.115 343 HA ARG 44 HA ARG 44 -8.617 12.934 -2.036 344 HB2 ARG 44 2HB ARG 44 -7.203 11.686 -4.398 345 HB3 ARG 44 3HB ARG 44 -8.528 12.840 -4.498 346 HG2 ARG 44 2HG ARG 44 -7.035 14.424 -3.166 347 HG3 ARG 44 3HG ARG 44 -5.722 13.301 -3.518 348 HD2 ARG 44 2HD ARG 44 -7.433 14.750 -5.548 349 HD3 ARG 44 3HD ARG 44 -5.764 15.133 -5.128 350 HE ARG 44 HE ARG 44 -5.113 13.017 -6.115 351 HH11 ARG 44 1HH1 ARG 44 -8.322 14.091 -6.827 352 HH12 ARG 44 2HH1 ARG 44 -8.399 13.195 -8.303 353 HH21 ARG 44 1HH2 ARG 44 -5.255 11.869 -8.007 354 HH22 ARG 44 2HH2 ARG 44 -6.709 11.941 -8.945 355 H ALA 45 H ALA 45 -8.103 9.649 -1.758 356 HA ALA 45 HA ALA 45 -10.954 9.139 -2.081 357 HB1 ALA 45 3HB ALA 45 -10.623 7.160 -3.491 358 HB2 ALA 45 1HB ALA 45 -8.898 7.516 -3.590 359 HB3 ALA 45 2HB ALA 45 -10.069 8.626 -4.302 360 H ASP 46 H ASP 46 -11.520 6.873 -1.283 361 HA ASP 46 HA ASP 46 -10.080 6.276 1.142 362 HB2 ASP 46 2HB ASP 46 -12.364 4.775 -0.172 363 HB3 ASP 46 3HB ASP 46 -11.754 4.494 1.457 364 H ALA 47 H ALA 47 -8.018 5.849 0.123 365 HA ALA 47 HA ALA 47 -7.527 3.946 -1.844 366 HB1 ALA 47 3HB ALA 47 -5.195 4.057 -1.158 367 HB2 ALA 47 1HB ALA 47 -5.661 4.818 0.365 368 HB3 ALA 47 2HB ALA 47 -5.921 5.664 -1.161 369 H TRP 48 H TRP 48 -7.316 3.543 1.693 370 HA TRP 48 HA TRP 48 -6.435 0.864 1.637 371 HB2 TRP 48 2HB TRP 48 -6.299 2.466 3.585 372 HB3 TRP 48 3HB TRP 48 -8.014 2.181 3.859 373 HD1 TRP 48 HD1 TRP 48 -4.674 0.216 3.826 374 HE1 TRP 48 HE1 TRP 48 -4.875 -1.737 5.487 375 HE3 TRP 48 HE3 TRP 48 -9.588 0.767 5.134 376 HZ2 TRP 48 HZ2 TRP 48 -6.864 -2.905 7.129 377 HZ3 TRP 48 HZ3 TRP 48 -10.564 -0.811 6.753 378 HH2 TRP 48 HH2 TRP 48 -9.230 -2.608 7.729 379 H GLN 49 H GLN 49 -9.712 2.210 2.087 380 HA GLN 49 HA GLN 49 -11.088 -0.219 2.354 381 HB2 GLN 49 2HB GLN 49 -12.094 1.949 2.895 382 HB3 GLN 49 3HB GLN 49 -12.071 2.402 1.197 383 HG2 GLN 49 2HG GLN 49 -14.301 1.737 1.878 384 HG3 GLN 49 3HG GLN 49 -13.653 0.614 0.687 385 HE21 GLN 49 1HE2 GLN 49 -12.719 0.597 4.064 386 HE22 GLN 49 2HE2 GLN 49 -13.475 -0.909 4.451 387 H GLN 50 H GLN 50 -10.404 1.689 -0.580 388 HA GLN 50 HA GLN 50 -11.722 -0.055 -2.384 389 HB2 GLN 50 2HB GLN 50 -9.508 1.963 -2.811 390 HB3 GLN 50 3HB GLN 50 -10.296 1.100 -4.125 391 HG2 GLN 50 2HG GLN 50 -12.421 2.107 -3.576 392 HG3 GLN 50 3HG GLN 50 -11.724 2.881 -2.156 393 HE21 GLN 50 1HE2 GLN 50 -9.250 3.601 -3.493 394 HE22 GLN 50 2HE2 GLN 50 -9.642 4.899 -4.559 395 H LEU 51 H LEU 51 -8.431 0.002 -1.109 396 HA LEU 51 HA LEU 51 -7.322 -1.916 -2.872 397 HB2 LEU 51 2HB LEU 51 -5.976 -0.390 -1.473 398 HB3 LEU 51 3HB LEU 51 -6.504 -1.250 -0.039 399 HG LEU 51 HG LEU 51 -5.372 -3.297 -0.868 400 HD11 LEU 51 1HD1 LEU 51 -4.366 -1.496 -3.074 401 HD12 LEU 51 2HD1 LEU 51 -5.477 -2.854 -3.262 402 HD13 LEU 51 3HD1 LEU 51 -3.813 -3.140 -2.753 403 HD21 LEU 51 3HD2 LEU 51 -3.086 -2.548 -0.455 404 HD22 LEU 51 1HD2 LEU 51 -4.213 -1.786 0.670 405 HD23 LEU 51 2HD2 LEU 51 -3.579 -0.873 -0.700 406 H LYS 52 H LYS 52 -8.613 -2.285 0.451 407 HA LYS 52 HA LYS 52 -8.268 -5.087 0.569 408 HB2 LYS 52 2HB LYS 52 -9.686 -5.043 2.530 409 HB3 LYS 52 3HB LYS 52 -8.598 -3.665 2.564 410 HG2 LYS 52 2HG LYS 52 -10.442 -2.236 1.734 411 HG3 LYS 52 3HG LYS 52 -11.522 -3.628 1.831 412 HD2 LYS 52 2HD LYS 52 -10.022 -2.367 4.137 413 HD3 LYS 52 3HD LYS 52 -11.747 -2.207 3.809 414 HE2 LYS 52 2HE LYS 52 -10.324 -4.804 4.422 415 HE3 LYS 52 3HE LYS 52 -11.260 -3.859 5.580 416 HZ1 LYS 52 3HZ LYS 52 -13.218 -4.192 4.197 417 HZ2 LYS 52 1HZ LYS 52 -12.559 -5.670 4.686 418 HZ3 LYS 52 2HZ LYS 52 -12.320 -5.120 3.106 419 H ASP 53 H ASP 53 -10.962 -3.094 -0.553 420 HA ASP 53 HA ASP 53 -12.904 -5.053 -0.908 421 HB2 ASP 53 2HB ASP 53 -13.342 -2.659 -1.152 422 HB3 ASP 53 3HB ASP 53 -12.342 -2.603 -2.600 423 H GLU 54 H GLU 54 -10.344 -4.027 -3.174 424 HA GLU 54 HA GLU 54 -10.921 -5.898 -5.213 425 HB2 GLU 54 2HB GLU 54 -8.474 -4.320 -4.459 426 HB3 GLU 54 3HB GLU 54 -8.393 -5.516 -5.744 427 HG2 GLU 54 2HG GLU 54 -10.325 -3.202 -5.698 428 HG3 GLU 54 3HG GLU 54 -8.773 -3.194 -6.535 429 H LEU 55 H LEU 55 -8.520 -6.043 -2.557 430 HA LEU 55 HA LEU 55 -7.430 -8.537 -3.234 431 HB2 LEU 55 2HB LEU 55 -7.630 -7.183 -0.544 432 HB3 LEU 55 3HB LEU 55 -6.668 -8.620 -0.848 433 HG LEU 55 HG LEU 55 -6.248 -5.929 -2.175 434 HD11 LEU 55 1HD1 LEU 55 -5.657 -5.879 0.193 435 HD12 LEU 55 2HD1 LEU 55 -4.217 -5.799 -0.821 436 HD13 LEU 55 3HD1 LEU 55 -4.645 -7.309 -0.015 437 HD21 LEU 55 3HD2 LEU 55 -5.597 -7.775 -3.629 438 HD22 LEU 55 1HD2 LEU 55 -4.633 -8.482 -2.334 439 HD23 LEU 55 2HD2 LEU 55 -4.170 -6.929 -3.030 440 H GLU 56 H GLU 56 -10.242 -7.773 -1.216 441 HA GLU 56 HA GLU 56 -10.712 -10.511 -0.467 442 HB2 GLU 56 2HB GLU 56 -12.532 -8.093 -0.323 443 HB3 GLU 56 3HB GLU 56 -12.895 -9.665 0.378 444 HG2 GLU 56 2HG GLU 56 -10.906 -9.463 1.816 445 HG3 GLU 56 3HG GLU 56 -10.600 -7.863 1.145 446 H ALA 57 H ALA 57 -11.932 -8.338 -2.974 447 HA ALA 57 HA ALA 57 -13.943 -9.959 -4.057 448 HB1 ALA 57 3HB ALA 57 -12.129 -8.035 -5.519 449 HB2 ALA 57 1HB ALA 57 -13.619 -7.608 -4.676 450 HB3 ALA 57 2HB ALA 57 -13.679 -8.648 -6.099 451 H LYS 58 H LYS 58 -10.461 -9.976 -4.548 452 HA LYS 58 HA LYS 58 -10.576 -12.116 -6.511 453 HB2 LYS 58 2HB LYS 58 -8.150 -10.995 -5.086 454 HB3 LYS 58 3HB LYS 58 -8.175 -11.913 -6.588 455 HG2 LYS 58 2HG LYS 58 -9.211 -10.108 -7.764 456 HG3 LYS 58 3HG LYS 58 -9.475 -9.214 -6.267 457 HD2 LYS 58 2HD LYS 58 -6.951 -9.184 -5.996 458 HD3 LYS 58 3HD LYS 58 -6.853 -9.775 -7.656 459 HE2 LYS 58 2HE LYS 58 -8.036 -7.172 -6.682 460 HE3 LYS 58 3HE LYS 58 -6.622 -7.391 -7.710 461 HZ1 LYS 58 3HZ LYS 58 -8.652 -6.688 -8.905 462 HZ2 LYS 58 1HZ LYS 58 -9.382 -8.157 -8.500 463 HZ3 LYS 58 2HZ LYS 58 -8.006 -8.141 -9.487 464 H HIS 59 H HIS 59 -11.572 -13.805 -5.393 465 HA HIS 59 HA HIS 59 -10.980 -14.384 -2.673 466 HB2 HIS 59 2HB HIS 59 -12.580 -15.939 -4.711 467 HB3 HIS 59 3HB HIS 59 -12.529 -16.303 -2.987 468 HD1 HIS 59 HD1 HIS 59 -14.326 -14.306 -5.433 469 HD2 HIS 59 HD2 HIS 59 -13.566 -14.074 -1.356 470 HE1 HIS 59 HE1 HIS 59 -16.002 -12.678 -4.530 471 HE2 HIS 59 HE2 HIS 59 -15.413 -12.422 -2.103 472 H TRP 60 H TRP 60 -9.139 -15.163 -5.340 473 HA TRP 60 HA TRP 60 -8.214 -17.717 -4.309 474 HB2 TRP 60 2HB TRP 60 -6.578 -17.687 -6.129 475 HB3 TRP 60 3HB TRP 60 -8.194 -17.366 -6.737 476 HD1 TRP 60 HD1 TRP 60 -8.702 -14.700 -7.381 477 HE1 TRP 60 HE1 TRP 60 -7.096 -12.961 -8.391 478 HE3 TRP 60 HE3 TRP 60 -4.238 -16.920 -6.206 479 HZ2 TRP 60 HZ2 TRP 60 -4.318 -12.576 -8.652 480 HZ3 TRP 60 HZ3 TRP 60 -2.151 -15.797 -6.876 481 HH2 TRP 60 HH2 TRP 60 -2.192 -13.668 -8.076 482 H ILE 61 H ILE 61 -7.746 -14.549 -3.443 483 HA ILE 61 HA ILE 61 -5.041 -14.849 -2.416 484 HB ILE 61 HB ILE 61 -7.120 -12.662 -2.134 485 HG12 ILE 61 2HG1 ILE 61 -5.457 -11.276 -3.296 486 HG13 ILE 61 3HG1 ILE 61 -4.344 -12.637 -3.352 487 HG21 ILE 61 1HG2 ILE 61 -5.982 -12.792 0.001 488 HG22 ILE 61 2HG2 ILE 61 -5.444 -11.358 -0.873 489 HG23 ILE 61 3HG2 ILE 61 -4.412 -12.787 -0.803 490 HD11 ILE 61 3HD1 ILE 61 -5.442 -12.241 -5.483 491 HD12 ILE 61 1HD1 ILE 61 -7.012 -12.505 -4.725 492 HD13 ILE 61 2HD1 ILE 61 -5.847 -13.826 -4.826 493 H ALA 62 H ALA 62 -4.514 -15.500 -0.362 494 HA ALA 62 HA ALA 62 -6.487 -16.639 1.357 495 HB1 ALA 62 3HB ALA 62 -3.599 -15.973 1.951 496 HB2 ALA 62 1HB ALA 62 -4.184 -17.483 1.255 497 HB3 ALA 62 2HB ALA 62 -4.637 -17.039 2.900 498 H GLU 63 H GLU 63 -7.453 -15.822 3.210 499 HA GLU 63 HA GLU 63 -7.883 -13.081 3.442 500 HB2 GLU 63 2HB GLU 63 -9.374 -14.793 4.426 501 HB3 GLU 63 3HB GLU 63 -8.156 -15.145 5.645 502 HG2 GLU 63 2HG GLU 63 -8.335 -12.770 6.408 503 HG3 GLU 63 3HG GLU 63 -9.679 -12.566 5.287 504 H ALA 64 H ALA 64 -5.823 -15.117 5.538 505 HA ALA 64 HA ALA 64 -4.766 -13.087 7.140 506 HB1 ALA 64 3HB ALA 64 -2.985 -14.637 7.691 507 HB2 ALA 64 1HB ALA 64 -3.349 -15.607 6.262 508 HB3 ALA 64 2HB ALA 64 -4.514 -15.505 7.580 509 H ASP 65 H ASP 65 -3.697 -14.241 3.969 510 HA ASP 65 HA ASP 65 -1.239 -12.868 3.830 511 HB2 ASP 65 2HB ASP 65 -2.247 -14.740 2.303 512 HB3 ASP 65 3HB ASP 65 -2.915 -13.392 1.389 513 H ARG 66 H ARG 66 -4.458 -11.953 2.533 514 HA ARG 66 HA ARG 66 -3.613 -9.418 1.591 515 HB2 ARG 66 2HB ARG 66 -5.968 -8.874 1.311 516 HB3 ARG 66 3HB ARG 66 -5.634 -10.496 0.729 517 HG2 ARG 66 2HG ARG 66 -6.535 -11.378 2.884 518 HG3 ARG 66 3HG ARG 66 -7.007 -9.727 3.297 519 HD2 ARG 66 2HD ARG 66 -8.375 -9.656 1.222 520 HD3 ARG 66 3HD ARG 66 -7.965 -11.345 0.930 521 HE ARG 66 HE ARG 66 -9.332 -10.585 3.417 522 HH11 ARG 66 1HH1 ARG 66 -9.350 -12.288 0.415 523 HH12 ARG 66 2HH1 ARG 66 -10.793 -13.156 0.792 524 HH21 ARG 66 1HH2 ARG 66 -11.185 -11.681 3.877 525 HH22 ARG 66 2HH2 ARG 66 -11.835 -12.807 2.732 526 H ILE 67 H ILE 67 -4.978 -10.440 4.705 527 HA ILE 67 HA ILE 67 -5.356 -7.891 5.835 528 HB ILE 67 HB ILE 67 -4.603 -10.493 7.188 529 HG12 ILE 67 2HG1 ILE 67 -6.778 -10.537 6.050 530 HG13 ILE 67 3HG1 ILE 67 -6.994 -10.572 7.794 531 HG21 ILE 67 1HG2 ILE 67 -5.538 -7.905 8.443 532 HG22 ILE 67 2HG2 ILE 67 -3.945 -8.643 8.626 533 HG23 ILE 67 3HG2 ILE 67 -5.371 -9.445 9.286 534 HD11 ILE 67 3HD1 ILE 67 -7.525 -8.170 7.753 535 HD12 ILE 67 1HD1 ILE 67 -8.628 -9.124 6.762 536 HD13 ILE 67 2HD1 ILE 67 -7.350 -8.178 5.998 537 H ASN 68 H ASN 68 -2.473 -9.978 5.772 538 HA ASN 68 HA ASN 68 -0.716 -8.447 7.279 539 HB2 ASN 68 2HB ASN 68 -0.098 -10.652 6.448 540 HB3 ASN 68 3HB ASN 68 -0.139 -10.074 4.784 541 HD21 ASN 68 1HD2 ASN 68 1.976 -10.433 4.274 542 HD22 ASN 68 2HD2 ASN 68 3.302 -9.627 5.036 543 H VAL 69 H VAL 69 -1.048 -8.315 3.710 544 HA VAL 69 HA VAL 69 0.639 -6.071 3.410 545 HB VAL 69 HB VAL 69 -0.188 -5.900 1.116 546 HG11 VAL 69 1HG1 VAL 69 0.456 -8.131 0.352 547 HG12 VAL 69 2HG1 VAL 69 0.233 -8.767 1.983 548 HG13 VAL 69 3HG1 VAL 69 1.505 -7.587 1.662 549 HG21 VAL 69 3HG2 VAL 69 -1.936 -7.407 0.282 550 HG22 VAL 69 1HG2 VAL 69 -2.566 -6.306 1.507 551 HG23 VAL 69 2HG2 VAL 69 -2.223 -7.985 1.924 552 H LEU 70 H LEU 70 -2.788 -6.297 4.101 553 HA LEU 70 HA LEU 70 -3.432 -3.577 3.572 554 HB2 LEU 70 2HB LEU 70 -4.721 -5.652 5.336 555 HB3 LEU 70 3HB LEU 70 -5.361 -4.027 5.173 556 HG LEU 70 HG LEU 70 -5.038 -6.003 2.905 557 HD11 LEU 70 1HD1 LEU 70 -7.524 -5.095 4.363 558 HD12 LEU 70 2HD1 LEU 70 -6.783 -6.694 4.465 559 HD13 LEU 70 3HD1 LEU 70 -7.482 -6.141 2.942 560 HD21 LEU 70 3HD2 LEU 70 -6.350 -3.281 2.961 561 HD22 LEU 70 1HD2 LEU 70 -6.319 -4.391 1.590 562 HD23 LEU 70 2HD2 LEU 70 -4.819 -3.672 2.177 563 H ASN 71 H ASN 71 -2.255 -5.247 6.478 564 HA ASN 71 HA ASN 71 -2.539 -3.060 8.256 565 HB2 ASN 71 2HB ASN 71 -0.595 -5.382 8.366 566 HB3 ASN 71 3HB ASN 71 -0.910 -4.269 9.694 567 HD21 ASN 71 1HD2 ASN 71 -1.262 -7.104 9.659 568 HD22 ASN 71 2HD2 ASN 71 -2.932 -7.410 9.965 569 H GLN 72 H GLN 72 0.367 -4.234 6.516 570 HA GLN 72 HA GLN 72 2.029 -2.105 7.296 571 HB2 GLN 72 2HB GLN 72 3.488 -2.785 5.420 572 HB3 GLN 72 3HB GLN 72 2.967 -4.142 6.404 573 HG2 GLN 72 2HG GLN 72 1.164 -4.531 4.657 574 HG3 GLN 72 3HG GLN 72 2.043 -3.379 3.653 575 HE21 GLN 72 1HE2 GLN 72 3.544 -5.716 5.839 576 HE22 GLN 72 2HE2 GLN 72 4.276 -6.661 4.595 577 H ALA 73 H ALA 73 -0.174 -2.428 4.528 578 HA ALA 73 HA ALA 73 0.398 -0.000 3.243 579 HB1 ALA 73 3HB ALA 73 -2.293 -1.352 3.489 580 HB2 ALA 73 1HB ALA 73 -1.057 -1.747 2.295 581 HB3 ALA 73 2HB ALA 73 -1.826 -0.159 2.274 582 H THR 74 H THR 74 -1.899 -0.707 5.883 583 HA THR 74 HA THR 74 -2.955 1.846 6.272 584 HB THR 74 HB THR 74 -2.323 -0.174 8.446 585 HG1 THR 74 HG1 THR 74 -4.651 0.141 6.821 586 HG21 THR 74 3HG2 THR 74 -4.168 0.887 9.674 587 HG22 THR 74 1HG2 THR 74 -4.359 2.064 8.375 588 HG23 THR 74 2HG2 THR 74 -2.882 2.045 9.339 589 H GLU 75 H GLU 75 -0.022 0.384 7.641 590 HA GLU 75 HA GLU 75 0.710 2.561 9.279 591 HB2 GLU 75 2HB GLU 75 2.451 0.405 8.071 592 HB3 GLU 75 3HB GLU 75 2.932 1.482 9.376 593 HG2 GLU 75 2HG GLU 75 1.098 0.566 10.761 594 HG3 GLU 75 3HG GLU 75 0.719 -0.564 9.463 595 H VAL 76 H VAL 76 1.508 1.808 5.898 596 HA VAL 76 HA VAL 76 3.323 3.951 5.496 597 HB VAL 76 HB VAL 76 1.488 2.618 3.484 598 HG11 VAL 76 1HG1 VAL 76 3.905 4.377 3.012 599 HG12 VAL 76 2HG1 VAL 76 2.226 4.815 2.692 600 HG13 VAL 76 3HG1 VAL 76 2.990 3.523 1.770 601 HG21 VAL 76 3HG2 VAL 76 3.046 1.049 4.525 602 HG22 VAL 76 1HG2 VAL 76 4.399 2.114 4.140 603 HG23 VAL 76 2HG2 VAL 76 3.490 1.337 2.843 604 H ILE 77 H ILE 77 -0.188 3.713 4.905 605 HA ILE 77 HA ILE 77 -0.646 6.344 4.073 606 HB ILE 77 HB ILE 77 -2.479 4.514 5.645 607 HG12 ILE 77 2HG1 ILE 77 -2.254 5.020 2.660 608 HG13 ILE 77 3HG1 ILE 77 -1.722 3.566 3.500 609 HG21 ILE 77 1HG2 ILE 77 -4.325 5.882 4.798 610 HG22 ILE 77 2HG2 ILE 77 -3.170 6.983 4.045 611 HG23 ILE 77 3HG2 ILE 77 -3.234 6.834 5.802 612 HD11 ILE 77 3HD1 ILE 77 -3.833 3.193 2.382 613 HD12 ILE 77 1HD1 ILE 77 -4.564 4.539 3.257 614 HD13 ILE 77 2HD1 ILE 77 -4.044 3.095 4.129 615 H ASN 78 H ASN 78 -0.570 4.986 7.358 616 HA ASN 78 HA ASN 78 -1.129 7.427 8.702 617 HB2 ASN 78 2HB ASN 78 0.211 4.886 9.649 618 HB3 ASN 78 3HB ASN 78 -0.169 6.243 10.708 619 HD21 ASN 78 1HD2 ASN 78 -1.164 3.513 10.775 620 HD22 ASN 78 2HD2 ASN 78 -2.884 3.634 10.663 621 H PHE 79 H PHE 79 1.847 5.927 7.571 622 HA PHE 79 HA PHE 79 3.686 7.643 8.858 623 HB2 PHE 79 2HB PHE 79 4.241 5.470 7.723 624 HB3 PHE 79 3HB PHE 79 4.017 6.269 6.174 625 HD1 PHE 79 HD2 PHE 79 6.128 6.081 9.185 626 HD2 PHE 79 HD1 PHE 79 5.709 7.716 5.269 627 HE1 PHE 79 HE2 PHE 79 8.491 6.768 9.221 628 HE2 PHE 79 HE1 PHE 79 8.070 8.403 5.302 629 HZ PHE 79 HZ PHE 79 9.462 7.931 7.276 630 H TRP 80 H TRP 80 1.871 7.929 5.845 631 HA TRP 80 HA TRP 80 3.156 10.251 4.851 632 HB2 TRP 80 2HB TRP 80 1.662 8.703 3.532 633 HB3 TRP 80 3HB TRP 80 0.283 9.419 4.360 634 HD1 TRP 80 HD1 TRP 80 3.018 10.297 1.810 635 HE1 TRP 80 HE1 TRP 80 2.250 12.336 0.450 636 HE3 TRP 80 HE3 TRP 80 -1.244 11.446 4.402 637 HZ2 TRP 80 HZ2 TRP 80 0.132 14.192 0.469 638 HZ3 TRP 80 HZ3 TRP 80 -2.579 13.378 3.663 639 HH2 TRP 80 HH2 TRP 80 -1.903 14.722 1.738 640 H GLN 81 H GLN 81 0.129 9.862 6.743 641 HA GLN 81 HA GLN 81 -0.271 12.675 7.032 642 HB2 GLN 81 2HB GLN 81 -2.015 12.109 8.653 643 HB3 GLN 81 3HB GLN 81 -2.156 11.144 7.196 644 HG2 GLN 81 2HG GLN 81 -2.553 9.559 8.791 645 HG3 GLN 81 3HG GLN 81 -0.815 9.375 8.588 646 HE21 GLN 81 1HE2 GLN 81 -3.342 10.531 10.683 647 HE22 GLN 81 2HE2 GLN 81 -2.361 10.694 12.095 648 H ASP 82 H ASP 82 1.577 10.317 8.795 649 HA ASP 82 HA ASP 82 2.123 11.598 11.193 650 HB2 ASP 82 2HB ASP 82 2.934 9.352 10.677 651 HB3 ASP 82 3HB ASP 82 3.966 9.985 9.403 652 H LEU 83 H LEU 83 3.655 12.027 8.034 653 HA LEU 83 HA LEU 83 5.469 14.062 8.819 654 HB2 LEU 83 2HB LEU 83 4.360 13.658 6.043 655 HB3 LEU 83 3HB LEU 83 5.909 14.351 6.488 656 HG LEU 83 HG LEU 83 5.087 11.450 6.683 657 HD11 LEU 83 1HD1 LEU 83 7.221 12.819 5.051 658 HD12 LEU 83 2HD1 LEU 83 5.692 12.183 4.443 659 HD13 LEU 83 3HD1 LEU 83 6.905 11.085 5.099 660 HD21 LEU 83 3HD2 LEU 83 7.650 12.743 7.620 661 HD22 LEU 83 1HD2 LEU 83 7.344 11.008 7.534 662 HD23 LEU 83 2HD2 LEU 83 6.412 12.012 8.646 663 H LYS 84 H LYS 84 2.144 14.105 7.677 664 HA LYS 84 HA LYS 84 1.934 16.830 6.989 665 HB2 LYS 84 2HB LYS 84 -0.128 14.818 7.892 666 HB3 LYS 84 3HB LYS 84 -0.552 16.452 7.409 667 HG2 LYS 84 2HG LYS 84 0.905 14.505 5.626 668 HG3 LYS 84 3HG LYS 84 -0.846 14.711 5.640 669 HD2 LYS 84 2HD LYS 84 1.187 16.858 4.997 670 HD3 LYS 84 3HD LYS 84 0.189 15.993 3.826 671 HE2 LYS 84 2HE LYS 84 -0.849 17.775 6.039 672 HE3 LYS 84 3HE LYS 84 -0.709 18.229 4.343 673 HZ1 LYS 84 3HZ LYS 84 -2.331 16.584 3.760 674 HZ2 LYS 84 1HZ LYS 84 -2.962 17.547 4.995 675 HZ3 LYS 84 2HZ LYS 84 -2.392 15.996 5.346 676 H ASN 85 H ASN 85 1.158 15.192 10.091 677 HA ASN 85 HA ASN 85 0.316 17.681 11.280 678 HB2 ASN 85 2HB ASN 85 0.006 16.388 13.349 679 HB3 ASN 85 3HB ASN 85 -0.774 15.624 11.970 680 HD21 ASN 85 1HD2 ASN 85 -0.029 13.640 11.258 681 HD22 ASN 85 2HD2 ASN 85 1.101 12.701 12.162 682 H GLN 86 H GLN 86 3.281 15.774 11.338 683 HA GLN 86 HA GLN 86 4.477 17.531 13.340 684 HB2 GLN 86 2HB GLN 86 5.563 15.148 11.838 685 HB3 GLN 86 3HB GLN 86 6.482 16.056 13.031 686 HG2 GLN 86 2HG GLN 86 5.002 15.418 14.781 687 HG3 GLN 86 3HG GLN 86 3.854 14.723 13.634 688 HE21 GLN 86 1HE2 GLN 86 4.390 12.803 12.588 689 HE22 GLN 86 2HE2 GLN 86 5.564 11.718 13.235 690 H ASN 87 H ASN 87 4.058 17.687 10.019 691 HA ASN 87 HA ASN 87 4.886 19.066 8.400 692 HB2 ASN 87 2HB ASN 87 6.143 20.476 10.771 693 HB3 ASN 87 3HB ASN 87 6.148 21.107 9.130 694 HD21 ASN 87 1HD2 ASN 87 3.429 19.430 10.628 695 HD22 ASN 87 2HD2 ASN 87 2.390 20.801 10.662 696 H LYS 88 H LYS 88 6.439 16.679 9.248 697 HA LYS 88 HA LYS 88 9.185 17.153 9.431 698 HB2 LYS 88 2HB LYS 88 7.685 14.757 8.381 699 HB3 LYS 88 3HB LYS 88 9.428 14.779 8.594 700 HG2 LYS 88 2HG LYS 88 9.111 15.222 10.999 701 HG3 LYS 88 3HG LYS 88 7.362 15.122 10.763 702 HD2 LYS 88 2HD LYS 88 7.558 12.817 10.033 703 HD3 LYS 88 3HD LYS 88 9.317 12.900 10.133 704 HE2 LYS 88 2HE LYS 88 9.216 13.152 12.528 705 HE3 LYS 88 3HE LYS 88 7.456 13.274 12.480 706 HZ1 LYS 88 3HZ LYS 88 7.368 11.002 11.645 707 HZ2 LYS 88 1HZ LYS 88 8.147 11.070 13.144 708 HZ3 LYS 88 2HZ LYS 88 9.053 10.887 11.729 709 H GLN 89 H GLN 89 7.335 16.283 6.491 710 HA GLN 89 HA GLN 89 7.858 16.345 4.275 711 HB2 GLN 89 2HB GLN 89 9.459 18.758 5.177 712 HB3 GLN 89 3HB GLN 89 9.115 18.365 3.497 713 HG2 GLN 89 2HG GLN 89 6.720 18.601 3.926 714 HG3 GLN 89 3HG GLN 89 7.056 18.978 5.615 715 HE21 GLN 89 1HE2 GLN 89 5.721 20.566 3.554 716 HE22 GLN 89 2HE2 GLN 89 6.588 22.054 3.467 717 H ILE 90 H ILE 90 9.239 14.394 5.449 718 HA ILE 90 HA ILE 90 12.092 14.645 5.022 719 HB ILE 90 HB ILE 90 12.241 12.338 5.811 720 HG12 ILE 90 2HG1 ILE 90 9.211 12.408 5.961 721 HG13 ILE 90 3HG1 ILE 90 10.152 11.489 4.790 722 HG21 ILE 90 1HG2 ILE 90 11.370 12.683 8.096 723 HG22 ILE 90 2HG2 ILE 90 10.449 14.072 7.514 724 HG23 ILE 90 3HG2 ILE 90 12.211 14.102 7.470 725 HD11 ILE 90 3HD1 ILE 90 11.125 10.183 6.624 726 HD12 ILE 90 1HD1 ILE 90 9.368 10.054 6.560 727 HD13 ILE 90 2HD1 ILE 90 10.131 11.080 7.775 728 H SER 91 H SER 91 13.139 12.587 3.931 729 HA SER 91 HA SER 91 12.240 12.631 1.161 730 HB2 SER 91 2HB SER 91 14.610 12.894 1.516 731 HB3 SER 91 3HB SER 91 14.681 11.414 2.472 732 HG SER 91 HG SER 91 14.964 11.682 -0.153 733 H MET 92 H MET 92 11.752 10.820 -0.105 734 HA MET 92 HA MET 92 10.274 8.744 1.063 735 HB2 MET 92 2HB MET 92 10.325 7.691 -1.182 736 HB3 MET 92 3HB MET 92 9.901 9.395 -1.239 737 HG2 MET 92 2HG MET 92 12.220 9.925 -1.889 738 HG3 MET 92 3HG MET 92 12.588 8.202 -1.899 739 HE1 MET 92 3HE MET 92 9.902 6.960 -3.148 740 HE2 MET 92 1HE MET 92 11.534 6.470 -3.608 741 HE3 MET 92 2HE MET 92 10.361 6.903 -4.850 742 H ALA 93 H ALA 93 13.686 9.040 0.547 743 HA ALA 93 HA ALA 93 14.487 6.352 0.606 744 HB1 ALA 93 3HB ALA 93 15.910 8.745 1.783 745 HB2 ALA 93 1HB ALA 93 16.019 8.196 0.109 746 HB3 ALA 93 2HB ALA 93 16.642 7.184 1.411 747 H GLU 94 H GLU 94 13.725 8.587 3.244 748 HA GLU 94 HA GLU 94 14.409 6.844 5.376 749 HB2 GLU 94 2HB GLU 94 12.499 9.201 5.326 750 HB3 GLU 94 3HB GLU 94 13.105 8.417 6.783 751 HG2 GLU 94 2HG GLU 94 15.383 9.055 6.210 752 HG3 GLU 94 3HG GLU 94 14.817 9.788 4.712 753 H ALA 95 H ALA 95 11.456 7.302 3.509 754 HA ALA 95 HA ALA 95 9.773 5.604 5.045 755 HB1 ALA 95 3HB ALA 95 9.649 6.257 2.097 756 HB2 ALA 95 1HB ALA 95 8.887 7.177 3.396 757 HB3 ALA 95 2HB ALA 95 8.353 5.532 3.049 758 H GLN 96 H GLN 96 11.910 5.011 2.273 759 HA GLN 96 HA GLN 96 11.446 2.257 1.953 760 HB2 GLN 96 2HB GLN 96 13.825 4.015 1.353 761 HB3 GLN 96 3HB GLN 96 13.837 2.294 0.991 762 HG2 GLN 96 2HG GLN 96 11.645 4.077 -0.026 763 HG3 GLN 96 3HG GLN 96 13.185 3.936 -0.875 764 HE21 GLN 96 1HE2 GLN 96 10.390 2.143 0.248 765 HE22 GLN 96 2HE2 GLN 96 10.539 0.839 -0.871 766 H GLY 97 H GLY 97 13.661 3.998 4.093 767 HA2 GLY 97 2HA GLY 97 14.958 1.696 5.158 768 HA3 GLY 97 3HA GLY 97 14.929 3.295 5.883 769 H LYS 98 H LYS 98 11.895 3.182 5.843 770 HA LYS 98 HA LYS 98 11.589 1.824 8.404 771 HB2 LYS 98 2HB LYS 98 10.616 4.176 7.562 772 HB3 LYS 98 3HB LYS 98 9.283 3.161 7.040 773 HG2 LYS 98 2HG LYS 98 10.337 3.307 9.866 774 HG3 LYS 98 3HG LYS 98 8.934 4.185 9.262 775 HD2 LYS 98 2HD LYS 98 7.786 2.084 8.806 776 HD3 LYS 98 3HD LYS 98 9.207 1.174 9.317 777 HE2 LYS 98 2HE LYS 98 7.595 1.185 11.109 778 HE3 LYS 98 3HE LYS 98 8.984 2.166 11.578 779 HZ1 LYS 98 3HZ LYS 98 6.369 3.182 10.591 780 HZ2 LYS 98 1HZ LYS 98 7.708 4.149 10.971 781 HZ3 LYS 98 2HZ LYS 98 6.940 3.255 12.182 782 H PHE 99 H PHE 99 10.271 1.578 5.103 783 HA PHE 99 HA PHE 99 9.018 -0.998 5.843 784 HB2 PHE 99 2HB PHE 99 8.183 0.901 3.634 785 HB3 PHE 99 3HB PHE 99 7.386 -0.610 4.056 786 HD1 PHE 99 HD2 PHE 99 6.223 -0.804 6.263 787 HD2 PHE 99 HD1 PHE 99 7.714 2.909 4.797 788 HE1 PHE 99 HE2 PHE 99 4.791 0.403 7.858 789 HE2 PHE 99 HE1 PHE 99 6.284 4.116 6.392 790 HZ PHE 99 HZ PHE 99 4.819 2.866 7.922 791 HA PRO 100 HA PRO 100 12.450 -2.025 2.936 792 HB2 PRO 100 2HB PRO 100 12.912 -4.525 3.910 793 HB3 PRO 100 3HB PRO 100 13.568 -3.061 4.650 794 HG2 PRO 100 2HG PRO 100 11.155 -4.661 5.436 795 HG3 PRO 100 3HG PRO 100 12.422 -3.968 6.467 796 HD2 PRO 100 2HD PRO 100 10.004 -2.786 6.143 797 HD3 PRO 100 3HD PRO 100 11.492 -1.852 6.404 798 H GLU 101 H GLU 101 9.457 -3.739 3.562 799 HA GLU 101 HA GLU 101 9.785 -5.353 1.132 800 HB2 GLU 101 2HB GLU 101 7.674 -5.483 3.296 801 HB3 GLU 101 3HB GLU 101 7.759 -6.555 1.904 802 HG2 GLU 101 2HG GLU 101 9.965 -7.343 2.672 803 HG3 GLU 101 3HG GLU 101 9.824 -6.305 4.090 804 H VAL 102 H VAL 102 8.824 -2.320 1.583 805 HA VAL 102 HA VAL 102 6.537 -2.530 -0.284 806 HB VAL 102 HB VAL 102 7.178 -0.233 1.584 807 HG11 VAL 102 1HG1 VAL 102 4.806 -0.731 -0.224 808 HG12 VAL 102 2HG1 VAL 102 6.042 0.511 -0.430 809 HG13 VAL 102 3HG1 VAL 102 4.939 0.585 0.944 810 HG21 VAL 102 3HG2 VAL 102 5.013 -2.337 1.794 811 HG22 VAL 102 1HG2 VAL 102 5.221 -0.953 2.869 812 HG23 VAL 102 2HG2 VAL 102 6.443 -2.223 2.819 813 H VAL 103 H VAL 103 6.854 -1.820 -2.295 814 HA VAL 103 HA VAL 103 9.378 -0.545 -2.971 815 HB VAL 103 HB VAL 103 7.144 -1.458 -4.801 816 HG11 VAL 103 1HG1 VAL 103 10.002 -0.700 -5.437 817 HG12 VAL 103 2HG1 VAL 103 8.564 0.234 -5.850 818 HG13 VAL 103 3HG1 VAL 103 8.827 -1.348 -6.583 819 HG21 VAL 103 3HG2 VAL 103 8.560 -3.420 -5.236 820 HG22 VAL 103 1HG2 VAL 103 8.075 -3.325 -3.542 821 HG23 VAL 103 2HG2 VAL 103 9.706 -2.856 -4.020 822 H PHE 104 H PHE 104 9.404 1.608 -2.570 823 HA PHE 104 HA PHE 104 7.146 3.308 -3.302 824 HB2 PHE 104 2HB PHE 104 9.774 3.848 -1.913 825 HB3 PHE 104 3HB PHE 104 8.713 5.152 -2.429 826 HD1 PHE 104 HD1 PHE 104 8.726 2.045 -0.361 827 HD2 PHE 104 HD2 PHE 104 7.035 5.900 -1.012 828 HE1 PHE 104 HE1 PHE 104 7.474 1.847 1.745 829 HE2 PHE 104 HE2 PHE 104 5.779 5.705 1.096 830 HZ PHE 104 HZ PHE 104 5.997 3.677 2.477 831 H SER 105 H SER 105 7.044 4.589 -5.081 832 HA SER 105 HA SER 105 9.479 4.979 -6.716 833 HB2 SER 105 2HB SER 105 8.207 4.580 -8.772 834 HB3 SER 105 3HB SER 105 8.137 3.159 -7.732 835 HG SER 105 HG SER 105 6.122 4.833 -8.572 836 H GLY 106 H GLY 106 9.377 6.833 -8.172 837 HA2 GLY 106 2HA GLY 106 7.366 8.857 -7.359 838 HA3 GLY 106 3HA GLY 106 9.068 9.253 -7.550 839 H SER 107 H SER 107 9.618 10.151 -9.431 840 HA SER 107 HA SER 107 7.767 10.368 -11.608 841 HB2 SER 107 2HB SER 107 10.701 11.130 -11.472 842 HB3 SER 107 3HB SER 107 9.590 11.597 -12.755 843 HG SER 107 HG SER 107 10.040 12.842 -10.472 844 H ASN 108 H ASN 108 8.151 9.662 -13.827 845 HA ASN 108 HA ASN 108 9.092 6.907 -13.827 846 HB2 ASN 108 2HB ASN 108 7.593 8.475 -15.935 847 HB3 ASN 108 3HB ASN 108 7.983 6.762 -16.042 848 HD21 ASN 108 1HD2 ASN 108 5.402 7.815 -16.148 849 HD22 ASN 108 2HD2 ASN 108 4.530 7.229 -14.777 850 H LEU 109 H LEU 109 9.349 7.465 -16.972 851 HA LEU 109 HA LEU 109 12.209 7.108 -16.788 852 HB2 LEU 109 2HB LEU 109 10.253 6.877 -19.073 853 HB3 LEU 109 3HB LEU 109 11.979 6.634 -19.265 854 HG LEU 109 HG LEU 109 11.900 4.716 -17.724 855 HD11 LEU 109 1HD1 LEU 109 9.751 3.787 -16.988 856 HD12 LEU 109 2HD1 LEU 109 8.920 5.205 -17.634 857 HD13 LEU 109 3HD1 LEU 109 10.051 5.381 -16.291 858 HD21 LEU 109 3HD2 LEU 109 9.838 4.520 -19.918 859 HD22 LEU 109 1HD2 LEU 109 10.717 3.179 -19.179 860 HD23 LEU 109 2HD2 LEU 109 11.584 4.379 -20.137 861 H GLU 110 H GLU 110 13.757 8.179 -18.087 862 HA GLU 110 HA GLU 110 13.399 11.043 -18.174 863 HB2 GLU 110 2HB GLU 110 15.763 9.310 -18.938 864 HB3 GLU 110 3HB GLU 110 15.790 11.065 -18.812 865 HG2 GLU 110 2HG GLU 110 15.301 10.913 -16.426 866 HG3 GLU 110 3HG GLU 110 15.247 9.153 -16.543 867 H HIS 111 H HIS 111 11.813 9.553 -20.151 868 HA HIS 111 HA HIS 111 13.004 9.491 -22.692 869 HB2 HIS 111 2HB HIS 111 10.858 8.358 -22.041 870 HB3 HIS 111 3HB HIS 111 10.064 9.927 -22.132 871 HD1 HIS 111 HD1 HIS 111 9.427 10.784 -24.437 872 HD2 HIS 111 HD2 HIS 111 11.715 7.319 -24.566 873 HE1 HIS 111 HE1 HIS 111 9.370 10.030 -26.826 874 HE2 HIS 111 HE2 HIS 111 10.616 7.846 -26.845 875 H HIS 112 H HIS 112 11.855 12.180 -20.877 876 HA HIS 112 HA HIS 112 12.355 13.937 -23.200 877 HB2 HIS 112 2HB HIS 112 10.781 15.574 -22.172 878 HB3 HIS 112 3HB HIS 112 10.003 14.071 -22.654 879 HD1 HIS 112 HD1 HIS 112 11.278 15.802 -19.526 880 HD2 HIS 112 HD2 HIS 112 8.602 12.834 -20.668 881 HE1 HIS 112 HE1 HIS 112 10.023 15.185 -17.440 882 HE2 HIS 112 HE2 HIS 112 8.254 13.575 -18.220 883 H HIS 113 H HIS 113 14.204 12.903 -21.164 884 HA HIS 113 HA HIS 113 15.211 15.501 -20.181 885 HB2 HIS 113 2HB HIS 113 14.301 14.191 -18.283 886 HB3 HIS 113 3HB HIS 113 15.390 12.869 -18.686 887 HD1 HIS 113 HD1 HIS 113 17.177 12.826 -16.975 888 HD2 HIS 113 HD2 HIS 113 16.194 16.717 -18.053 889 HE1 HIS 113 HE1 HIS 113 18.767 14.295 -15.711 890 HE2 HIS 113 HE2 HIS 113 18.011 16.638 -16.213 891 H HIS 114 H HIS 114 16.285 12.091 -20.543 892 HA HIS 114 HA HIS 114 18.783 13.087 -21.736 893 HB2 HIS 114 2HB HIS 114 18.046 10.575 -20.307 894 HB3 HIS 114 3HB HIS 114 19.265 10.451 -21.568 895 HD1 HIS 114 HD1 HIS 114 19.179 10.720 -18.103 896 HD2 HIS 114 HD2 HIS 114 21.239 12.815 -21.042 897 HE1 HIS 114 HE1 HIS 114 21.157 11.741 -16.945 898 HE2 HIS 114 HE2 HIS 114 22.294 13.127 -18.706 899 H HIS 115 H HIS 115 18.591 13.410 -23.839 900 HA HIS 115 HA HIS 115 16.873 11.783 -25.516 901 HB2 HIS 115 2HB HIS 115 18.802 13.983 -26.316 902 HB3 HIS 115 3HB HIS 115 17.498 13.320 -27.297 903 HD1 HIS 115 HD1 HIS 115 18.238 16.016 -24.990 904 HD2 HIS 115 HD2 HIS 115 14.842 13.901 -26.124 905 HE1 HIS 115 HE1 HIS 115 16.295 17.401 -24.222 906 HE2 HIS 115 HE2 HIS 115 14.271 16.215 -25.124 907 H HIS 116 H HIS 116 17.494 10.081 -26.708 908 HA HIS 116 HA HIS 116 20.312 9.681 -27.387 909 HB2 HIS 116 2HB HIS 116 20.209 7.305 -26.584 910 HB3 HIS 116 3HB HIS 116 20.156 8.504 -25.297 911 HD1 HIS 116 HD1 HIS 116 18.684 5.425 -26.095 912 HD2 HIS 116 HD2 HIS 116 17.160 9.036 -24.715 913 HE1 HIS 116 HE1 HIS 116 16.476 4.866 -25.051 914 HE2 HIS 116 HE2 HIS 116 15.485 7.085 -24.414 Start of MODEL 9 1 H1 MET 1 1H MET 1 11.749 -29.811 -9.305 2 H2 MET 1 2H MET 1 10.518 -30.550 -8.412 3 H3 MET 1 3H MET 1 10.250 -29.048 -9.142 4 HA MET 1 HA MET 1 10.528 -30.047 -11.335 5 HB2 MET 1 2HB MET 1 10.682 -32.604 -9.724 6 HB3 MET 1 3HB MET 1 10.443 -32.549 -11.463 7 HG2 MET 1 2HG MET 1 12.620 -31.502 -11.748 8 HG3 MET 1 3HG MET 1 12.855 -31.498 -9.998 9 HE1 MET 1 3HE MET 1 15.234 -32.734 -10.548 10 HE2 MET 1 1HE MET 1 14.829 -32.793 -12.262 11 HE3 MET 1 2HE MET 1 15.335 -34.261 -11.424 12 H ALA 2 H ALA 2 8.782 -31.909 -8.816 13 HA ALA 2 HA ALA 2 6.483 -32.444 -10.265 14 HB1 ALA 2 3HB ALA 2 5.413 -32.922 -8.143 15 HB2 ALA 2 1HB ALA 2 6.667 -32.027 -7.283 16 HB3 ALA 2 2HB ALA 2 7.073 -33.518 -8.134 17 H ALA 3 H ALA 3 4.314 -31.597 -10.101 18 HA ALA 3 HA ALA 3 4.249 -28.768 -10.489 19 HB1 ALA 3 3HB ALA 3 2.843 -30.288 -11.792 20 HB2 ALA 3 1HB ALA 3 1.877 -29.071 -10.955 21 HB3 ALA 3 2HB ALA 3 1.952 -30.719 -10.332 22 H SER 4 H SER 4 5.046 -28.138 -8.357 23 HA SER 4 HA SER 4 3.267 -28.370 -6.077 24 HB2 SER 4 2HB SER 4 5.804 -26.750 -6.463 25 HB3 SER 4 3HB SER 4 4.926 -26.892 -4.942 26 HG SER 4 HG SER 4 6.559 -28.389 -4.922 27 H THR 5 H THR 5 1.571 -27.060 -5.711 28 HA THR 5 HA THR 5 0.815 -24.932 -7.344 29 HB THR 5 HB THR 5 0.024 -25.333 -4.442 30 HG1 THR 5 HG1 THR 5 -1.366 -26.178 -6.786 31 HG21 THR 5 3HG2 THR 5 -1.367 -23.833 -6.673 32 HG22 THR 5 1HG2 THR 5 -0.564 -23.103 -5.283 33 HG23 THR 5 2HG2 THR 5 -2.006 -24.091 -5.049 34 H VAL 6 H VAL 6 2.159 -23.260 -7.702 35 HA VAL 6 HA VAL 6 4.029 -22.194 -5.948 36 HB VAL 6 HB VAL 6 4.160 -21.763 -8.333 37 HG11 VAL 6 1HG1 VAL 6 1.772 -21.558 -8.831 38 HG12 VAL 6 2HG1 VAL 6 2.678 -20.185 -9.468 39 HG13 VAL 6 3HG1 VAL 6 1.726 -20.006 -7.995 40 HG21 VAL 6 3HG2 VAL 6 5.316 -20.198 -6.878 41 HG22 VAL 6 1HG2 VAL 6 3.859 -19.213 -6.742 42 HG23 VAL 6 2HG2 VAL 6 4.686 -19.354 -8.293 43 H HIS 7 H HIS 7 3.806 -21.101 -4.116 44 HA HIS 7 HA HIS 7 1.309 -19.955 -3.307 45 HB2 HIS 7 2HB HIS 7 4.037 -19.669 -2.016 46 HB3 HIS 7 3HB HIS 7 2.489 -19.276 -1.270 47 HD1 HIS 7 HD1 HIS 7 1.426 -22.138 -2.759 48 HD2 HIS 7 HD2 HIS 7 4.256 -21.518 0.221 49 HE1 HIS 7 HE1 HIS 7 1.641 -24.329 -1.567 50 HE2 HIS 7 HE2 HIS 7 3.246 -23.894 0.313 51 H THR 8 H THR 8 0.841 -18.409 -4.882 52 HA THR 8 HA THR 8 2.589 -16.380 -5.742 53 HB THR 8 HB THR 8 -0.446 -16.406 -5.741 54 HG1 THR 8 HG1 THR 8 1.452 -17.037 -7.786 55 HG21 THR 8 3HG2 THR 8 1.453 -14.659 -7.326 56 HG22 THR 8 1HG2 THR 8 0.414 -14.113 -6.009 57 HG23 THR 8 2HG2 THR 8 -0.299 -14.712 -7.508 58 H SER 9 H SER 9 3.593 -15.332 -4.073 59 HA SER 9 HA SER 9 2.210 -14.121 -1.886 60 HB2 SER 9 2HB SER 9 5.009 -13.638 -2.943 61 HB3 SER 9 3HB SER 9 4.385 -12.992 -1.428 62 HG SER 9 HG SER 9 5.637 -15.128 -1.520 63 H PHE 10 H PHE 10 2.567 -11.685 -1.463 64 HA PHE 10 HA PHE 10 1.724 -10.212 -3.880 65 HB2 PHE 10 2HB PHE 10 0.570 -9.930 -1.090 66 HB3 PHE 10 3HB PHE 10 0.082 -9.008 -2.510 67 HD1 PHE 10 HD1 PHE 10 -1.037 -10.186 -4.415 68 HD2 PHE 10 HD2 PHE 10 -0.281 -12.103 -0.685 69 HE1 PHE 10 HE1 PHE 10 -2.675 -11.934 -4.986 70 HE2 PHE 10 HE2 PHE 10 -1.913 -13.853 -1.250 71 HZ PHE 10 HZ PHE 10 -3.109 -13.773 -3.404 72 H ILE 11 H ILE 11 2.705 -8.322 -4.252 73 HA ILE 11 HA ILE 11 4.651 -7.359 -2.249 74 HB ILE 11 HB ILE 11 4.683 -6.821 -5.227 75 HG12 ILE 11 2HG1 ILE 11 6.231 -8.895 -3.639 76 HG13 ILE 11 3HG1 ILE 11 4.967 -9.227 -4.817 77 HG21 ILE 11 1HG2 ILE 11 5.864 -5.159 -3.862 78 HG22 ILE 11 2HG2 ILE 11 6.989 -6.104 -4.836 79 HG23 ILE 11 3HG2 ILE 11 6.812 -6.446 -3.116 80 HD11 ILE 11 3HD1 ILE 11 6.360 -8.287 -6.586 81 HD12 ILE 11 1HD1 ILE 11 7.164 -9.621 -5.758 82 HD13 ILE 11 2HD1 ILE 11 7.631 -7.957 -5.409 83 H LEU 12 H LEU 12 4.261 -5.437 -1.318 84 HA LEU 12 HA LEU 12 2.098 -3.762 -2.285 85 HB2 LEU 12 2HB LEU 12 2.356 -4.234 0.120 86 HB3 LEU 12 3HB LEU 12 3.914 -3.429 0.111 87 HG LEU 12 HG LEU 12 2.782 -1.299 -0.496 88 HD11 LEU 12 1HD1 LEU 12 0.809 -2.187 -1.600 89 HD12 LEU 12 2HD1 LEU 12 0.342 -1.137 -0.263 90 HD13 LEU 12 3HD1 LEU 12 0.247 -2.890 -0.081 91 HD21 LEU 12 3HD2 LEU 12 1.814 -2.649 2.029 92 HD22 LEU 12 1HD2 LEU 12 1.753 -0.912 1.719 93 HD23 LEU 12 2HD2 LEU 12 3.309 -1.734 1.823 94 H LYS 13 H LYS 13 2.315 -1.974 -3.482 95 HA LYS 13 HA LYS 13 4.947 -0.651 -3.646 96 HB2 LYS 13 2HB LYS 13 2.761 -0.754 -5.740 97 HB3 LYS 13 3HB LYS 13 4.220 0.217 -5.867 98 HG2 LYS 13 2HG LYS 13 5.493 -1.995 -5.628 99 HG3 LYS 13 3HG LYS 13 3.942 -2.770 -5.957 100 HD2 LYS 13 2HD LYS 13 5.389 -0.804 -7.741 101 HD3 LYS 13 3HD LYS 13 5.215 -2.538 -8.014 102 HE2 LYS 13 2HE LYS 13 2.935 -0.554 -7.902 103 HE3 LYS 13 3HE LYS 13 3.656 -1.191 -9.379 104 HZ1 LYS 13 3HZ LYS 13 2.965 -3.400 -8.747 105 HZ2 LYS 13 1HZ LYS 13 1.627 -2.368 -8.773 106 HZ3 LYS 13 2HZ LYS 13 2.314 -2.829 -7.300 107 H VAL 14 H VAL 14 5.046 1.579 -3.532 108 HA VAL 14 HA VAL 14 2.539 3.026 -2.974 109 HB VAL 14 HB VAL 14 5.100 3.291 -1.372 110 HG11 VAL 14 1HG1 VAL 14 4.077 5.475 -1.673 111 HG12 VAL 14 2HG1 VAL 14 3.849 4.929 -0.011 112 HG13 VAL 14 3HG1 VAL 14 2.513 4.841 -1.157 113 HG21 VAL 14 3HG2 VAL 14 3.730 2.539 0.527 114 HG22 VAL 14 1HG2 VAL 14 3.805 1.319 -0.745 115 HG23 VAL 14 2HG2 VAL 14 2.358 2.309 -0.557 116 H LEU 15 H LEU 15 2.338 4.487 -4.562 117 HA LEU 15 HA LEU 15 4.623 5.723 -5.837 118 HB2 LEU 15 2HB LEU 15 2.271 5.125 -6.846 119 HB3 LEU 15 3HB LEU 15 1.779 6.661 -6.166 120 HG LEU 15 HG LEU 15 3.971 6.280 -8.224 121 HD11 LEU 15 1HD1 LEU 15 1.175 7.377 -8.532 122 HD12 LEU 15 2HD1 LEU 15 1.751 5.821 -9.132 123 HD13 LEU 15 3HD1 LEU 15 2.410 7.318 -9.790 124 HD21 LEU 15 3HD2 LEU 15 3.913 8.730 -8.429 125 HD22 LEU 15 1HD2 LEU 15 4.413 8.218 -6.817 126 HD23 LEU 15 2HD2 LEU 15 2.773 8.811 -7.085 127 H TRP 16 H TRP 16 5.720 7.174 -4.655 128 HA TRP 16 HA TRP 16 4.374 8.575 -2.478 129 HB2 TRP 16 2HB TRP 16 6.505 7.266 -2.160 130 HB3 TRP 16 3HB TRP 16 7.328 8.484 -3.128 131 HD1 TRP 16 HD1 TRP 16 7.930 10.781 -1.946 132 HE1 TRP 16 HE1 TRP 16 7.825 11.578 0.499 133 HE3 TRP 16 HE3 TRP 16 5.080 7.015 0.018 134 HZ2 TRP 16 HZ2 TRP 16 6.691 10.725 2.936 135 HZ3 TRP 16 HZ3 TRP 16 4.528 7.082 2.416 136 HH2 TRP 16 HH2 TRP 16 5.319 8.899 3.843 137 H LEU 17 H LEU 17 3.511 10.515 -2.936 138 HA LEU 17 HA LEU 17 5.124 12.437 -4.513 139 HB2 LEU 17 2HB LEU 17 2.113 12.340 -4.216 140 HB3 LEU 17 3HB LEU 17 3.010 13.547 -5.117 141 HG LEU 17 HG LEU 17 2.945 10.598 -5.794 142 HD11 LEU 17 1HD1 LEU 17 0.755 11.637 -6.113 143 HD12 LEU 17 2HD1 LEU 17 1.503 11.226 -7.655 144 HD13 LEU 17 3HD1 LEU 17 1.491 12.901 -7.099 145 HD21 LEU 17 3HD2 LEU 17 3.978 11.305 -7.907 146 HD22 LEU 17 1HD2 LEU 17 4.999 11.690 -6.522 147 HD23 LEU 17 2HD2 LEU 17 4.065 12.963 -7.308 148 H ASP 18 H ASP 18 4.139 14.803 -3.904 149 HA ASP 18 HA ASP 18 4.772 15.139 -1.096 150 HB2 ASP 18 2HB ASP 18 4.025 17.206 -3.185 151 HB3 ASP 18 3HB ASP 18 4.712 17.539 -1.596 152 H GLN 19 H GLN 19 2.024 16.026 -3.194 153 HA GLN 19 HA GLN 19 0.372 16.621 -0.859 154 HB2 GLN 19 2HB GLN 19 -0.209 16.906 -3.817 155 HB3 GLN 19 3HB GLN 19 -1.247 17.476 -2.514 156 HG2 GLN 19 2HG GLN 19 0.449 19.054 -1.802 157 HG3 GLN 19 3HG GLN 19 1.572 18.434 -3.013 158 HE21 GLN 19 1HE2 GLN 19 1.260 18.966 -5.168 159 HE22 GLN 19 2HE2 GLN 19 0.201 20.237 -5.667 160 H ASN 20 H ASN 20 0.939 13.983 -2.937 161 HA ASN 20 HA ASN 20 -1.497 12.636 -1.979 162 HB2 ASN 20 2HB ASN 20 -0.490 12.581 -4.836 163 HB3 ASN 20 3HB ASN 20 -1.772 11.552 -4.206 164 HD21 ASN 20 1HD2 ASN 20 -2.871 13.720 -2.539 165 HD22 ASN 20 2HD2 ASN 20 -3.686 14.774 -3.636 166 H VAL 21 H VAL 21 -1.387 10.296 -2.052 167 HA VAL 21 HA VAL 21 1.178 9.040 -2.607 168 HB VAL 21 HB VAL 21 1.539 9.603 -0.304 169 HG11 VAL 21 1HG1 VAL 21 -1.143 8.361 0.302 170 HG12 VAL 21 2HG1 VAL 21 -0.767 10.083 0.327 171 HG13 VAL 21 3HG1 VAL 21 -0.004 8.997 1.490 172 HG21 VAL 21 3HG2 VAL 21 0.660 6.714 -0.450 173 HG22 VAL 21 1HG2 VAL 21 1.733 7.409 0.767 174 HG23 VAL 21 2HG2 VAL 21 2.240 7.342 -0.922 175 H ALA 22 H ALA 22 0.788 7.216 -3.703 176 HA ALA 22 HA ALA 22 -1.930 6.057 -3.545 177 HB1 ALA 22 3HB ALA 22 -0.006 5.970 -5.869 178 HB2 ALA 22 1HB ALA 22 -1.340 7.109 -5.695 179 HB3 ALA 22 2HB ALA 22 -1.670 5.383 -5.853 180 H ILE 23 H ILE 23 -2.221 3.888 -3.246 181 HA ILE 23 HA ILE 23 0.206 2.238 -2.866 182 HB ILE 23 HB ILE 23 -1.142 0.854 -1.303 183 HG12 ILE 23 2HG1 ILE 23 -3.199 3.074 -1.596 184 HG13 ILE 23 3HG1 ILE 23 -3.389 1.413 -2.151 185 HG21 ILE 23 1HG2 ILE 23 0.360 2.572 -0.451 186 HG22 ILE 23 2HG2 ILE 23 -1.069 2.437 0.573 187 HG23 ILE 23 3HG2 ILE 23 -0.925 3.777 -0.566 188 HD11 ILE 23 3HD1 ILE 23 -3.112 2.298 0.715 189 HD12 ILE 23 1HD1 ILE 23 -3.278 0.630 0.165 190 HD13 ILE 23 2HD1 ILE 23 -4.595 1.776 -0.084 191 H ALA 24 H ALA 24 0.251 0.128 -3.642 192 HA ALA 24 HA ALA 24 -2.014 -0.986 -5.096 193 HB1 ALA 24 3HB ALA 24 -0.932 0.493 -6.761 194 HB2 ALA 24 1HB ALA 24 -0.853 -1.210 -7.218 195 HB3 ALA 24 2HB ALA 24 0.570 -0.406 -6.554 196 H VAL 25 H VAL 25 -1.455 -3.226 -5.983 197 HA VAL 25 HA VAL 25 0.745 -4.493 -4.468 198 HB VAL 25 HB VAL 25 -2.071 -5.603 -4.665 199 HG11 VAL 25 1HG1 VAL 25 0.389 -6.738 -3.318 200 HG12 VAL 25 2HG1 VAL 25 -0.440 -7.402 -4.726 201 HG13 VAL 25 3HG1 VAL 25 -1.247 -7.384 -3.157 202 HG21 VAL 25 3HG2 VAL 25 -2.173 -5.290 -2.240 203 HG22 VAL 25 1HG2 VAL 25 -1.907 -3.753 -3.066 204 HG23 VAL 25 2HG2 VAL 25 -0.565 -4.563 -2.259 205 H ASP 26 H ASP 26 1.787 -6.202 -5.469 206 HA ASP 26 HA ASP 26 0.849 -6.981 -8.164 207 HB2 ASP 26 2HB ASP 26 3.669 -7.060 -7.052 208 HB3 ASP 26 3HB ASP 26 3.192 -7.579 -8.666 209 H GLN 27 H GLN 27 0.951 -9.172 -8.761 210 HA GLN 27 HA GLN 27 1.028 -11.084 -6.521 211 HB2 GLN 27 2HB GLN 27 -0.281 -12.575 -7.985 212 HB3 GLN 27 3HB GLN 27 -1.084 -11.028 -7.760 213 HG2 GLN 27 2HG GLN 27 -0.174 -10.304 -9.964 214 HG3 GLN 27 3HG GLN 27 0.455 -11.935 -10.186 215 HE21 GLN 27 1HE2 GLN 27 -1.018 -13.637 -10.541 216 HE22 GLN 27 2HE2 GLN 27 -2.648 -13.330 -11.024 217 H ILE 28 H ILE 28 2.691 -12.495 -6.384 218 HA ILE 28 HA ILE 28 4.688 -12.585 -8.478 219 HB ILE 28 HB ILE 28 4.553 -14.076 -5.841 220 HG12 ILE 28 2HG1 ILE 28 6.082 -11.609 -6.727 221 HG13 ILE 28 3HG1 ILE 28 4.783 -11.677 -5.542 222 HG21 ILE 28 1HG2 ILE 28 6.925 -14.611 -6.220 223 HG22 ILE 28 2HG2 ILE 28 6.832 -13.879 -7.821 224 HG23 ILE 28 3HG2 ILE 28 5.892 -15.325 -7.458 225 HD11 ILE 28 3HD1 ILE 28 6.223 -13.034 -4.084 226 HD12 ILE 28 1HD1 ILE 28 6.908 -11.450 -4.443 227 HD13 ILE 28 2HD1 ILE 28 7.527 -12.885 -5.261 228 H VAL 29 H VAL 29 4.109 -13.662 -10.245 229 HA VAL 29 HA VAL 29 2.403 -16.001 -10.152 230 HB VAL 29 HB VAL 29 3.770 -14.818 -12.581 231 HG11 VAL 29 1HG1 VAL 29 1.280 -16.496 -12.266 232 HG12 VAL 29 2HG1 VAL 29 2.811 -16.997 -12.987 233 HG13 VAL 29 3HG1 VAL 29 1.823 -15.770 -13.780 234 HG21 VAL 29 3HG2 VAL 29 1.115 -14.033 -11.361 235 HG22 VAL 29 1HG2 VAL 29 1.720 -13.493 -12.930 236 HG23 VAL 29 2HG2 VAL 29 2.565 -13.031 -11.453 237 H GLY 30 H GLY 30 2.975 -18.022 -11.290 238 HA2 GLY 30 2HA GLY 30 5.223 -19.259 -10.256 239 HA3 GLY 30 3HA GLY 30 4.306 -19.861 -11.623 240 H LYS 31 H LYS 31 5.132 -17.257 -13.093 241 HA LYS 31 HA LYS 31 7.852 -18.171 -13.807 242 HB2 LYS 31 2HB LYS 31 6.064 -18.538 -15.535 243 HB3 LYS 31 3HB LYS 31 5.870 -16.793 -15.631 244 HG2 LYS 31 2HG LYS 31 8.161 -16.552 -16.417 245 HG3 LYS 31 3HG LYS 31 8.421 -18.289 -16.247 246 HD2 LYS 31 2HD LYS 31 8.006 -17.788 -18.567 247 HD3 LYS 31 3HD LYS 31 6.624 -18.673 -17.922 248 HE2 LYS 31 2HE LYS 31 5.843 -16.858 -19.322 249 HE3 LYS 31 3HE LYS 31 5.419 -16.526 -17.644 250 HZ1 LYS 31 3HZ LYS 31 6.315 -14.588 -18.850 251 HZ2 LYS 31 1HZ LYS 31 7.792 -15.391 -19.024 252 HZ3 LYS 31 2HZ LYS 31 7.228 -14.985 -17.484 253 H GLY 32 H GLY 32 6.428 -15.753 -12.143 254 HA2 GLY 32 2HA GLY 32 8.513 -14.032 -11.918 255 HA3 GLY 32 3HA GLY 32 7.714 -13.460 -13.373 256 H THR 33 H THR 33 6.685 -11.620 -12.835 257 HA THR 33 HA THR 33 4.814 -11.686 -10.548 258 HB THR 33 HB THR 33 5.331 -9.343 -10.007 259 HG1 THR 33 HG1 THR 33 7.702 -9.086 -11.264 260 HG21 THR 33 3HG2 THR 33 6.542 -11.109 -8.792 261 HG22 THR 33 1HG2 THR 33 7.531 -9.662 -8.982 262 HG23 THR 33 2HG2 THR 33 7.820 -11.065 -10.010 263 H SER 34 H SER 34 3.067 -10.079 -10.711 264 HA SER 34 HA SER 34 2.631 -8.824 -13.306 265 HB2 SER 34 2HB SER 34 1.712 -11.100 -13.619 266 HB3 SER 34 3HB SER 34 0.678 -10.873 -12.208 267 HG SER 34 HG SER 34 -0.629 -9.641 -13.345 268 HA PRO 35 HA PRO 35 0.738 -5.747 -10.686 269 HB2 PRO 35 2HB PRO 35 -0.969 -4.600 -12.522 270 HB3 PRO 35 3HB PRO 35 0.759 -4.245 -12.417 271 HG2 PRO 35 2HG PRO 35 -0.678 -6.126 -14.258 272 HG3 PRO 35 3HG PRO 35 0.632 -4.987 -14.623 273 HD2 PRO 35 2HD PRO 35 1.107 -7.610 -14.314 274 HD3 PRO 35 3HD PRO 35 2.263 -6.389 -13.741 275 H LEU 36 H LEU 36 -0.640 -6.445 -9.141 276 HA LEU 36 HA LEU 36 -2.980 -8.030 -9.815 277 HB2 LEU 36 2HB LEU 36 -1.567 -8.592 -7.863 278 HB3 LEU 36 3HB LEU 36 -1.990 -7.058 -7.127 279 HG LEU 36 HG LEU 36 -4.388 -7.805 -7.113 280 HD11 LEU 36 1HD1 LEU 36 -4.291 -9.470 -8.871 281 HD12 LEU 36 2HD1 LEU 36 -4.839 -10.210 -7.367 282 HD13 LEU 36 3HD1 LEU 36 -3.179 -10.454 -7.916 283 HD21 LEU 36 3HD2 LEU 36 -2.428 -9.525 -5.588 284 HD22 LEU 36 1HD2 LEU 36 -4.129 -9.287 -5.182 285 HD23 LEU 36 2HD2 LEU 36 -3.006 -7.929 -5.108 286 H THR 37 H THR 37 -2.396 -4.972 -8.058 287 HA THR 37 HA THR 37 -5.123 -4.089 -8.807 288 HB THR 37 HB THR 37 -5.365 -2.906 -6.715 289 HG1 THR 37 HG1 THR 37 -3.672 -2.382 -5.568 290 HG21 THR 37 3HG2 THR 37 -5.408 -4.751 -5.111 291 HG22 THR 37 1HG2 THR 37 -4.358 -5.704 -6.160 292 HG23 THR 37 2HG2 THR 37 -5.989 -5.286 -6.688 293 H SER 38 H SER 38 -5.394 -1.711 -8.840 294 HA SER 38 HA SER 38 -3.107 -0.420 -10.105 295 HB2 SER 38 2HB SER 38 -5.310 -0.211 -11.173 296 HB3 SER 38 3HB SER 38 -5.951 0.562 -9.724 297 HG SER 38 HG SER 38 -5.049 1.859 -11.663 298 H TYR 39 H TYR 39 -3.113 2.127 -9.583 299 HA TYR 39 HA TYR 39 -2.232 2.283 -6.820 300 HB2 TYR 39 2HB TYR 39 -2.056 4.189 -9.155 301 HB3 TYR 39 3HB TYR 39 -1.530 4.631 -7.535 302 HD1 TYR 39 HD2 TYR 39 0.425 3.546 -6.515 303 HD2 TYR 39 HD1 TYR 39 -0.751 2.654 -10.513 304 HE1 TYR 39 HE2 TYR 39 2.621 2.518 -6.928 305 HE2 TYR 39 HE1 TYR 39 1.443 1.625 -10.930 306 HH TYR 39 HH TYR 39 3.699 1.686 -10.069 307 H PHE 40 H PHE 40 -3.679 2.691 -5.284 308 HA PHE 40 HA PHE 40 -5.993 4.399 -5.803 309 HB2 PHE 40 2HB PHE 40 -5.241 2.928 -3.262 310 HB3 PHE 40 3HB PHE 40 -6.804 3.651 -3.638 311 HD1 PHE 40 HD1 PHE 40 -8.021 2.736 -5.745 312 HD2 PHE 40 HD2 PHE 40 -4.876 0.675 -3.738 313 HE1 PHE 40 HE1 PHE 40 -8.769 0.621 -6.754 314 HE2 PHE 40 HE2 PHE 40 -5.622 -1.441 -4.747 315 HZ PHE 40 HZ PHE 40 -7.568 -1.472 -6.256 316 H PHE 41 H PHE 41 -5.806 6.550 -5.533 317 HA PHE 41 HA PHE 41 -3.498 7.641 -4.180 318 HB2 PHE 41 2HB PHE 41 -5.711 8.939 -5.774 319 HB3 PHE 41 3HB PHE 41 -4.384 9.840 -5.049 320 HD1 PHE 41 HD1 PHE 41 -5.272 7.339 -7.613 321 HD2 PHE 41 HD2 PHE 41 -2.205 9.828 -6.013 322 HE1 PHE 41 HE1 PHE 41 -3.889 6.904 -9.598 323 HE2 PHE 41 HE2 PHE 41 -0.817 9.396 -7.999 324 HZ PHE 41 HZ PHE 41 -1.658 7.933 -9.794 325 H TRP 42 H TRP 42 -3.605 7.707 -2.015 326 HA TRP 42 HA TRP 42 -5.880 8.928 -0.636 327 HB2 TRP 42 2HB TRP 42 -5.008 7.092 0.561 328 HB3 TRP 42 3HB TRP 42 -3.347 7.529 0.212 329 HD1 TRP 42 HD1 TRP 42 -2.150 9.204 1.864 330 HE1 TRP 42 HE1 TRP 42 -2.711 10.059 4.203 331 HE3 TRP 42 HE3 TRP 42 -7.070 7.807 2.060 332 HZ2 TRP 42 HZ2 TRP 42 -4.945 10.147 5.922 333 HZ3 TRP 42 HZ3 TRP 42 -8.347 8.320 4.101 334 HH2 TRP 42 HH2 TRP 42 -7.301 9.464 5.993 335 HA PRO 43 HA PRO 43 -6.427 10.124 0.893 336 HB2 PRO 43 2HB PRO 43 -7.173 12.441 1.951 337 HB3 PRO 43 3HB PRO 43 -5.745 11.597 2.566 338 HG2 PRO 43 2HG PRO 43 -5.910 13.999 0.799 339 HG3 PRO 43 3HG PRO 43 -4.727 13.608 2.058 340 HD2 PRO 43 2HD PRO 43 -4.438 13.197 -0.739 341 HD3 PRO 43 3HD PRO 43 -3.353 12.621 0.540 342 H ARG 44 H ARG 44 -6.253 10.984 -2.040 343 HA ARG 44 HA ARG 44 -8.470 12.719 -2.535 344 HB2 ARG 44 2HB ARG 44 -7.264 10.713 -4.455 345 HB3 ARG 44 3HB ARG 44 -8.226 12.124 -4.867 346 HG2 ARG 44 2HG ARG 44 -5.414 12.035 -3.808 347 HG3 ARG 44 3HG ARG 44 -5.984 12.679 -5.348 348 HD2 ARG 44 2HD ARG 44 -6.466 13.824 -2.594 349 HD3 ARG 44 3HD ARG 44 -5.463 14.509 -3.871 350 HE ARG 44 HE ARG 44 -8.031 14.286 -4.898 351 HH11 ARG 44 1HH1 ARG 44 -6.410 16.001 -2.386 352 HH12 ARG 44 2HH1 ARG 44 -7.546 17.307 -2.402 353 HH21 ARG 44 1HH2 ARG 44 -9.475 15.972 -4.903 354 HH22 ARG 44 2HH2 ARG 44 -9.237 17.300 -3.815 355 H ALA 45 H ALA 45 -8.162 9.348 -1.889 356 HA ALA 45 HA ALA 45 -11.051 9.060 -1.805 357 HB1 ALA 45 3HB ALA 45 -11.087 7.037 -3.191 358 HB2 ALA 45 1HB ALA 45 -9.366 7.230 -3.528 359 HB3 ALA 45 2HB ALA 45 -10.520 8.425 -4.121 360 H ASP 46 H ASP 46 -11.676 6.942 -0.784 361 HA ASP 46 HA ASP 46 -10.032 6.257 1.427 362 HB2 ASP 46 2HB ASP 46 -12.488 4.958 0.237 363 HB3 ASP 46 3HB ASP 46 -11.707 4.357 1.696 364 H ALA 47 H ALA 47 -8.038 5.813 0.298 365 HA ALA 47 HA ALA 47 -7.634 3.949 -1.717 366 HB1 ALA 47 3HB ALA 47 -5.286 4.025 -1.137 367 HB2 ALA 47 1HB ALA 47 -5.672 4.702 0.447 368 HB3 ALA 47 2HB ALA 47 -5.989 5.638 -1.012 369 H TRP 48 H TRP 48 -7.219 3.428 1.793 370 HA TRP 48 HA TRP 48 -6.417 0.745 1.640 371 HB2 TRP 48 2HB TRP 48 -6.197 2.213 3.644 372 HB3 TRP 48 3HB TRP 48 -7.935 2.087 3.895 373 HD1 TRP 48 HD1 TRP 48 -4.730 -0.039 4.067 374 HE1 TRP 48 HE1 TRP 48 -5.182 -2.061 5.590 375 HE3 TRP 48 HE3 TRP 48 -9.744 0.611 4.826 376 HZ2 TRP 48 HZ2 TRP 48 -7.371 -3.241 6.922 377 HZ3 TRP 48 HZ3 TRP 48 -10.943 -1.012 6.232 378 HH2 TRP 48 HH2 TRP 48 -9.779 -2.896 7.257 379 H GLN 49 H GLN 49 -9.668 2.149 2.006 380 HA GLN 49 HA GLN 49 -11.091 -0.272 2.242 381 HB2 GLN 49 2HB GLN 49 -12.079 1.902 2.788 382 HB3 GLN 49 3HB GLN 49 -11.987 2.390 1.103 383 HG2 GLN 49 2HG GLN 49 -14.244 1.761 1.639 384 HG3 GLN 49 3HG GLN 49 -13.561 0.592 0.512 385 HE21 GLN 49 1HE2 GLN 49 -12.882 0.697 3.960 386 HE22 GLN 49 2HE2 GLN 49 -13.663 -0.796 4.338 387 H GLN 50 H GLN 50 -10.300 1.686 -0.634 388 HA GLN 50 HA GLN 50 -11.563 0.018 -2.533 389 HB2 GLN 50 2HB GLN 50 -9.196 1.877 -2.877 390 HB3 GLN 50 3HB GLN 50 -10.106 1.153 -4.197 391 HG2 GLN 50 2HG GLN 50 -12.121 2.330 -3.459 392 HG3 GLN 50 3HG GLN 50 -11.214 3.057 -2.135 393 HE21 GLN 50 1HE2 GLN 50 -8.822 3.448 -3.789 394 HE22 GLN 50 2HE2 GLN 50 -9.187 4.766 -4.836 395 H LEU 51 H LEU 51 -8.360 -0.081 -1.075 396 HA LEU 51 HA LEU 51 -7.229 -2.029 -2.790 397 HB2 LEU 51 2HB LEU 51 -5.878 -0.594 -1.332 398 HB3 LEU 51 3HB LEU 51 -6.562 -1.368 0.085 399 HG LEU 51 HG LEU 51 -5.496 -3.494 -0.544 400 HD11 LEU 51 1HD1 LEU 51 -4.319 -1.925 -2.841 401 HD12 LEU 51 2HD1 LEU 51 -5.481 -3.247 -2.958 402 HD13 LEU 51 3HD1 LEU 51 -3.851 -3.558 -2.365 403 HD21 LEU 51 3HD2 LEU 51 -3.192 -2.857 -0.076 404 HD22 LEU 51 1HD2 LEU 51 -4.307 -1.921 0.918 405 HD23 LEU 51 2HD2 LEU 51 -3.550 -1.181 -0.493 406 H LYS 52 H LYS 52 -8.700 -2.385 0.474 407 HA LYS 52 HA LYS 52 -8.512 -5.198 0.535 408 HB2 LYS 52 2HB LYS 52 -10.011 -5.159 2.410 409 HB3 LYS 52 3HB LYS 52 -8.941 -3.772 2.538 410 HG2 LYS 52 2HG LYS 52 -10.727 -2.325 1.666 411 HG3 LYS 52 3HG LYS 52 -11.801 -3.721 1.574 412 HD2 LYS 52 2HD LYS 52 -10.527 -2.642 4.096 413 HD3 LYS 52 3HD LYS 52 -12.198 -2.379 3.600 414 HE2 LYS 52 2HE LYS 52 -10.970 -5.084 4.155 415 HE3 LYS 52 3HE LYS 52 -11.937 -4.164 5.305 416 HZ1 LYS 52 3HZ LYS 52 -12.895 -5.121 2.658 417 HZ2 LYS 52 1HZ LYS 52 -13.815 -4.295 3.812 418 HZ3 LYS 52 2HZ LYS 52 -13.242 -5.852 4.143 419 H ASP 53 H ASP 53 -10.980 -3.055 -0.781 420 HA ASP 53 HA ASP 53 -13.020 -4.858 -1.326 421 HB2 ASP 53 2HB ASP 53 -13.307 -2.484 -1.661 422 HB3 ASP 53 3HB ASP 53 -12.063 -2.463 -2.906 423 H GLU 54 H GLU 54 -10.180 -4.084 -3.334 424 HA GLU 54 HA GLU 54 -10.631 -5.925 -5.414 425 HB2 GLU 54 2HB GLU 54 -8.107 -4.738 -4.250 426 HB3 GLU 54 3HB GLU 54 -8.073 -5.824 -5.633 427 HG2 GLU 54 2HG GLU 54 -9.698 -3.292 -5.598 428 HG3 GLU 54 3HG GLU 54 -8.014 -3.341 -6.122 429 H LEU 55 H LEU 55 -8.676 -6.248 -2.470 430 HA LEU 55 HA LEU 55 -7.803 -8.886 -2.920 431 HB2 LEU 55 2HB LEU 55 -8.107 -7.384 -0.316 432 HB3 LEU 55 3HB LEU 55 -7.151 -8.838 -0.547 433 HG LEU 55 HG LEU 55 -6.627 -6.176 -1.895 434 HD11 LEU 55 1HD1 LEU 55 -6.155 -6.090 0.498 435 HD12 LEU 55 2HD1 LEU 55 -4.670 -6.031 -0.452 436 HD13 LEU 55 3HD1 LEU 55 -5.139 -7.526 0.356 437 HD21 LEU 55 3HD2 LEU 55 -5.925 -8.050 -3.279 438 HD22 LEU 55 1HD2 LEU 55 -5.041 -8.748 -1.921 439 HD23 LEU 55 2HD2 LEU 55 -4.522 -7.214 -2.618 440 H GLU 56 H GLU 56 -10.759 -7.665 -1.510 441 HA GLU 56 HA GLU 56 -11.621 -10.173 -0.397 442 HB2 GLU 56 2HB GLU 56 -13.044 -7.574 -0.981 443 HB3 GLU 56 3HB GLU 56 -13.879 -8.975 -0.332 444 HG2 GLU 56 2HG GLU 56 -11.525 -7.648 1.005 445 HG3 GLU 56 3HG GLU 56 -13.210 -7.282 1.368 446 H ALA 57 H ALA 57 -12.308 -8.383 -3.397 447 HA ALA 57 HA ALA 57 -14.284 -10.140 -4.401 448 HB1 ALA 57 3HB ALA 57 -12.457 -8.296 -5.942 449 HB2 ALA 57 1HB ALA 57 -13.988 -7.841 -5.195 450 HB3 ALA 57 2HB ALA 57 -13.968 -8.997 -6.526 451 H LYS 58 H LYS 58 -10.777 -9.991 -4.955 452 HA LYS 58 HA LYS 58 -10.713 -12.160 -6.818 453 HB2 LYS 58 2HB LYS 58 -8.446 -11.087 -5.122 454 HB3 LYS 58 3HB LYS 58 -8.300 -12.016 -6.609 455 HG2 LYS 58 2HG LYS 58 -9.271 -10.182 -7.882 456 HG3 LYS 58 3HG LYS 58 -9.512 -9.260 -6.396 457 HD2 LYS 58 2HD LYS 58 -7.043 -9.316 -6.035 458 HD3 LYS 58 3HD LYS 58 -6.870 -10.088 -7.614 459 HE2 LYS 58 2HE LYS 58 -7.972 -7.333 -7.031 460 HE3 LYS 58 3HE LYS 58 -6.455 -7.720 -7.842 461 HZ1 LYS 58 3HZ LYS 58 -7.766 -8.761 -9.625 462 HZ2 LYS 58 1HZ LYS 58 -8.103 -7.114 -9.450 463 HZ3 LYS 58 2HZ LYS 58 -9.193 -8.262 -8.860 464 H HIS 59 H HIS 59 -11.488 -14.096 -6.125 465 HA HIS 59 HA HIS 59 -11.533 -14.783 -3.352 466 HB2 HIS 59 2HB HIS 59 -12.321 -16.465 -5.740 467 HB3 HIS 59 3HB HIS 59 -12.762 -16.772 -4.063 468 HD1 HIS 59 HD1 HIS 59 -14.375 -15.713 -6.896 469 HD2 HIS 59 HD2 HIS 59 -14.027 -14.021 -3.117 470 HE1 HIS 59 HE1 HIS 59 -16.315 -14.140 -6.686 471 HE2 HIS 59 HE2 HIS 59 -16.141 -13.202 -4.360 472 H TRP 60 H TRP 60 -9.244 -15.480 -5.839 473 HA TRP 60 HA TRP 60 -8.307 -17.933 -4.638 474 HB2 TRP 60 2HB TRP 60 -6.511 -17.860 -6.313 475 HB3 TRP 60 3HB TRP 60 -8.094 -17.635 -7.044 476 HD1 TRP 60 HD1 TRP 60 -8.698 -15.014 -7.764 477 HE1 TRP 60 HE1 TRP 60 -7.131 -13.187 -8.668 478 HE3 TRP 60 HE3 TRP 60 -4.218 -16.959 -6.252 479 HZ2 TRP 60 HZ2 TRP 60 -4.371 -12.640 -8.739 480 HZ3 TRP 60 HZ3 TRP 60 -2.160 -15.722 -6.780 481 HH2 TRP 60 HH2 TRP 60 -2.234 -13.606 -7.999 482 H ILE 61 H ILE 61 -8.008 -14.772 -3.713 483 HA ILE 61 HA ILE 61 -5.289 -14.837 -2.725 484 HB ILE 61 HB ILE 61 -7.571 -12.890 -2.454 485 HG12 ILE 61 2HG1 ILE 61 -5.987 -11.323 -3.480 486 HG13 ILE 61 3HG1 ILE 61 -4.717 -12.536 -3.417 487 HG21 ILE 61 1HG2 ILE 61 -4.999 -12.771 -0.879 488 HG22 ILE 61 2HG2 ILE 61 -6.630 -12.946 -0.229 489 HG23 ILE 61 3HG2 ILE 61 -6.157 -11.450 -1.033 490 HD11 ILE 61 3HD1 ILE 61 -7.245 -12.778 -5.022 491 HD12 ILE 61 1HD1 ILE 61 -5.882 -13.895 -5.022 492 HD13 ILE 61 2HD1 ILE 61 -5.681 -12.260 -5.651 493 H ALA 62 H ALA 62 -4.603 -15.225 -0.635 494 HA ALA 62 HA ALA 62 -6.420 -16.639 1.140 495 HB1 ALA 62 3HB ALA 62 -4.136 -17.472 0.762 496 HB2 ALA 62 1HB ALA 62 -4.435 -17.122 2.465 497 HB3 ALA 62 2HB ALA 62 -3.485 -16.002 1.488 498 H GLU 63 H GLU 63 -7.032 -15.981 3.218 499 HA GLU 63 HA GLU 63 -7.616 -13.283 3.582 500 HB2 GLU 63 2HB GLU 63 -8.852 -15.055 4.713 501 HB3 GLU 63 3HB GLU 63 -7.433 -15.469 5.666 502 HG2 GLU 63 2HG GLU 63 -7.516 -13.239 6.720 503 HG3 GLU 63 3HG GLU 63 -8.976 -12.878 5.797 504 H ALA 64 H ALA 64 -5.215 -15.166 5.464 505 HA ALA 64 HA ALA 64 -4.159 -13.085 6.957 506 HB1 ALA 64 3HB ALA 64 -2.662 -15.501 5.938 507 HB2 ALA 64 1HB ALA 64 -3.669 -15.445 7.385 508 HB3 ALA 64 2HB ALA 64 -2.192 -14.486 7.300 509 H ASP 65 H ASP 65 -3.183 -14.151 3.717 510 HA ASP 65 HA ASP 65 -0.932 -12.517 3.405 511 HB2 ASP 65 2HB ASP 65 -2.856 -13.687 1.396 512 HB3 ASP 65 3HB ASP 65 -1.417 -12.783 0.921 513 H ARG 66 H ARG 66 -4.327 -11.854 2.431 514 HA ARG 66 HA ARG 66 -3.660 -9.253 1.450 515 HB2 ARG 66 2HB ARG 66 -6.063 -8.871 1.220 516 HB3 ARG 66 3HB ARG 66 -5.581 -10.412 0.534 517 HG2 ARG 66 2HG ARG 66 -6.465 -11.562 2.516 518 HG3 ARG 66 3HG ARG 66 -6.964 -10.005 3.186 519 HD2 ARG 66 2HD ARG 66 -8.455 -9.640 1.303 520 HD3 ARG 66 3HD ARG 66 -7.909 -11.136 0.545 521 HE ARG 66 HE ARG 66 -9.117 -11.362 3.182 522 HH11 ARG 66 1HH1 ARG 66 -9.533 -11.584 -0.234 523 HH12 ARG 66 2HH1 ARG 66 -10.946 -12.571 -0.100 524 HH21 ARG 66 1HH2 ARG 66 -10.937 -12.588 3.335 525 HH22 ARG 66 2HH2 ARG 66 -11.741 -13.120 1.900 526 H ILE 67 H ILE 67 -4.880 -10.444 4.547 527 HA ILE 67 HA ILE 67 -5.363 -7.944 5.758 528 HB ILE 67 HB ILE 67 -4.448 -10.539 7.025 529 HG12 ILE 67 2HG1 ILE 67 -6.614 -10.706 5.883 530 HG13 ILE 67 3HG1 ILE 67 -6.827 -10.803 7.626 531 HG21 ILE 67 1HG2 ILE 67 -5.556 -8.055 8.340 532 HG22 ILE 67 2HG2 ILE 67 -3.913 -8.677 8.495 533 HG23 ILE 67 3HG2 ILE 67 -5.269 -9.596 9.150 534 HD11 ILE 67 3HD1 ILE 67 -7.538 -8.456 7.657 535 HD12 ILE 67 1HD1 ILE 67 -8.557 -9.451 6.618 536 HD13 ILE 67 2HD1 ILE 67 -7.347 -8.387 5.904 537 H ASN 68 H ASN 68 -2.409 -9.908 5.548 538 HA ASN 68 HA ASN 68 -0.657 -8.387 7.060 539 HB2 ASN 68 2HB ASN 68 -0.015 -10.541 6.103 540 HB3 ASN 68 3HB ASN 68 -0.101 -9.873 4.475 541 HD21 ASN 68 1HD2 ASN 68 1.992 -10.084 3.873 542 HD22 ASN 68 2HD2 ASN 68 3.310 -9.290 4.651 543 H VAL 69 H VAL 69 -1.102 -8.118 3.512 544 HA VAL 69 HA VAL 69 0.527 -5.836 3.239 545 HB VAL 69 HB VAL 69 -0.423 -5.569 0.994 546 HG11 VAL 69 1HG1 VAL 69 1.341 -7.220 1.345 547 HG12 VAL 69 2HG1 VAL 69 0.219 -7.762 0.098 548 HG13 VAL 69 3HG1 VAL 69 0.134 -8.451 1.720 549 HG21 VAL 69 3HG2 VAL 69 -2.164 -7.099 0.173 550 HG22 VAL 69 1HG2 VAL 69 -2.765 -6.064 1.469 551 HG23 VAL 69 2HG2 VAL 69 -2.357 -7.747 1.803 552 H LEU 70 H LEU 70 -2.925 -6.129 3.938 553 HA LEU 70 HA LEU 70 -3.608 -3.403 3.614 554 HB2 LEU 70 2HB LEU 70 -4.785 -5.582 5.332 555 HB3 LEU 70 3HB LEU 70 -5.458 -3.963 5.282 556 HG LEU 70 HG LEU 70 -5.209 -5.807 2.893 557 HD11 LEU 70 1HD1 LEU 70 -7.641 -5.045 4.513 558 HD12 LEU 70 2HD1 LEU 70 -6.842 -6.618 4.528 559 HD13 LEU 70 3HD1 LEU 70 -7.628 -6.042 3.057 560 HD21 LEU 70 3HD2 LEU 70 -5.101 -3.456 2.259 561 HD22 LEU 70 1HD2 LEU 70 -6.558 -3.118 3.193 562 HD23 LEU 70 2HD2 LEU 70 -6.642 -4.156 1.769 563 H ASN 71 H ASN 71 -2.393 -5.195 6.445 564 HA ASN 71 HA ASN 71 -2.607 -3.053 8.278 565 HB2 ASN 71 2HB ASN 71 -0.821 -5.495 8.299 566 HB3 ASN 71 3HB ASN 71 -0.960 -4.369 9.649 567 HD21 ASN 71 1HD2 ASN 71 -1.619 -7.164 9.647 568 HD22 ASN 71 2HD2 ASN 71 -3.299 -7.273 10.022 569 H GLN 72 H GLN 72 0.276 -4.249 6.497 570 HA GLN 72 HA GLN 72 1.992 -2.195 7.389 571 HB2 GLN 72 2HB GLN 72 3.457 -2.831 5.492 572 HB3 GLN 72 3HB GLN 72 2.924 -4.210 6.437 573 HG2 GLN 72 2HG GLN 72 1.177 -4.632 4.705 574 HG3 GLN 72 3HG GLN 72 1.898 -3.345 3.742 575 HE21 GLN 72 1HE2 GLN 72 3.746 -5.602 5.691 576 HE22 GLN 72 2HE2 GLN 72 4.491 -6.418 4.370 577 H ALA 73 H ALA 73 -0.181 -2.350 4.586 578 HA ALA 73 HA ALA 73 0.547 0.093 3.383 579 HB1 ALA 73 3HB ALA 73 -0.902 -1.572 2.295 580 HB2 ALA 73 1HB ALA 73 -1.627 0.037 2.297 581 HB3 ALA 73 2HB ALA 73 -2.189 -1.184 3.437 582 H THR 74 H THR 74 -1.808 -0.633 5.949 583 HA THR 74 HA THR 74 -2.832 1.940 6.363 584 HB THR 74 HB THR 74 -2.329 -0.220 8.435 585 HG1 THR 74 HG1 THR 74 -3.795 -1.003 6.998 586 HG21 THR 74 3HG2 THR 74 -4.037 0.926 9.785 587 HG22 THR 74 1HG2 THR 74 -4.111 2.222 8.593 588 HG23 THR 74 2HG2 THR 74 -2.632 1.958 9.519 589 H GLU 75 H GLU 75 0.042 0.390 7.783 590 HA GLU 75 HA GLU 75 0.860 2.521 9.408 591 HB2 GLU 75 2HB GLU 75 2.498 0.379 8.037 592 HB3 GLU 75 3HB GLU 75 3.141 1.480 9.248 593 HG2 GLU 75 2HG GLU 75 1.503 0.611 10.874 594 HG3 GLU 75 3HG GLU 75 0.930 -0.528 9.657 595 H VAL 76 H VAL 76 1.543 1.879 5.973 596 HA VAL 76 HA VAL 76 3.323 4.035 5.550 597 HB VAL 76 HB VAL 76 1.406 2.770 3.568 598 HG11 VAL 76 1HG1 VAL 76 3.858 4.476 3.088 599 HG12 VAL 76 2HG1 VAL 76 2.185 4.930 2.763 600 HG13 VAL 76 3HG1 VAL 76 2.941 3.634 1.838 601 HG21 VAL 76 3HG2 VAL 76 2.914 1.119 4.536 602 HG22 VAL 76 1HG2 VAL 76 4.303 2.141 4.166 603 HG23 VAL 76 2HG2 VAL 76 3.354 1.436 2.858 604 H ILE 77 H ILE 77 -0.215 3.821 5.201 605 HA ILE 77 HA ILE 77 -0.714 6.454 4.359 606 HB ILE 77 HB ILE 77 -2.455 4.591 5.997 607 HG12 ILE 77 2HG1 ILE 77 -2.425 5.199 3.024 608 HG13 ILE 77 3HG1 ILE 77 -1.805 3.731 3.770 609 HG21 ILE 77 1HG2 ILE 77 -3.217 6.883 6.286 610 HG22 ILE 77 2HG2 ILE 77 -4.351 5.989 5.274 611 HG23 ILE 77 3HG2 ILE 77 -3.220 7.126 4.540 612 HD11 ILE 77 3HD1 ILE 77 -4.052 3.162 4.526 613 HD12 ILE 77 1HD1 ILE 77 -3.990 3.370 2.775 614 HD13 ILE 77 2HD1 ILE 77 -4.675 4.639 3.789 615 H ASN 78 H ASN 78 -0.658 5.084 7.654 616 HA ASN 78 HA ASN 78 -1.169 7.506 9.022 617 HB2 ASN 78 2HB ASN 78 0.307 5.041 9.977 618 HB3 ASN 78 3HB ASN 78 -0.287 6.333 11.016 619 HD21 ASN 78 1HD2 ASN 78 -0.955 3.524 11.045 620 HD22 ASN 78 2HD2 ASN 78 -2.666 3.435 10.832 621 H PHE 79 H PHE 79 1.818 6.009 7.892 622 HA PHE 79 HA PHE 79 3.667 7.694 9.180 623 HB2 PHE 79 2HB PHE 79 4.261 5.589 7.985 624 HB3 PHE 79 3HB PHE 79 3.930 6.389 6.452 625 HD1 PHE 79 HD2 PHE 79 6.129 6.471 9.438 626 HD2 PHE 79 HD1 PHE 79 5.592 7.681 5.388 627 HE1 PHE 79 HE2 PHE 79 8.463 7.246 9.364 628 HE2 PHE 79 HE1 PHE 79 7.924 8.460 5.311 629 HZ PHE 79 HZ PHE 79 9.363 8.243 7.298 630 H TRP 80 H TRP 80 2.249 7.945 5.899 631 HA TRP 80 HA TRP 80 3.363 10.426 5.199 632 HB2 TRP 80 2HB TRP 80 2.206 8.857 3.631 633 HB3 TRP 80 3HB TRP 80 0.667 9.324 4.344 634 HD1 TRP 80 HD1 TRP 80 3.487 10.723 2.135 635 HE1 TRP 80 HE1 TRP 80 2.570 12.738 0.820 636 HE3 TRP 80 HE3 TRP 80 -1.106 11.127 4.354 637 HZ2 TRP 80 HZ2 TRP 80 0.218 14.291 0.735 638 HZ3 TRP 80 HZ3 TRP 80 -2.626 12.908 3.598 639 HH2 TRP 80 HH2 TRP 80 -1.978 14.454 1.828 640 H GLN 81 H GLN 81 0.274 9.667 6.807 641 HA GLN 81 HA GLN 81 -0.660 12.298 7.157 642 HB2 GLN 81 2HB GLN 81 -2.015 10.251 7.541 643 HB3 GLN 81 3HB GLN 81 -1.070 9.909 8.982 644 HG2 GLN 81 2HG GLN 81 -3.088 10.878 9.721 645 HG3 GLN 81 3HG GLN 81 -1.859 12.128 9.892 646 HE21 GLN 81 1HE2 GLN 81 -4.690 11.111 8.180 647 HE22 GLN 81 2HE2 GLN 81 -4.997 12.611 7.383 648 H ASP 82 H ASP 82 1.560 10.336 9.077 649 HA ASP 82 HA ASP 82 1.843 11.986 11.327 650 HB2 ASP 82 2HB ASP 82 2.661 9.642 11.149 651 HB3 ASP 82 3HB ASP 82 3.927 10.189 10.055 652 H LEU 83 H LEU 83 3.622 11.921 8.270 653 HA LEU 83 HA LEU 83 5.528 13.900 8.870 654 HB2 LEU 83 2HB LEU 83 4.382 13.352 6.131 655 HB3 LEU 83 3HB LEU 83 5.969 13.991 6.518 656 HG LEU 83 HG LEU 83 4.985 11.167 6.931 657 HD11 LEU 83 1HD1 LEU 83 7.190 12.306 5.221 658 HD12 LEU 83 2HD1 LEU 83 5.640 11.683 4.656 659 HD13 LEU 83 3HD1 LEU 83 6.807 10.593 5.403 660 HD21 LEU 83 3HD2 LEU 83 7.639 12.339 7.766 661 HD22 LEU 83 1HD2 LEU 83 7.167 10.643 7.867 662 HD23 LEU 83 2HD2 LEU 83 6.344 11.848 8.860 663 H LYS 84 H LYS 84 2.240 14.135 7.599 664 HA LYS 84 HA LYS 84 2.310 16.788 6.681 665 HB2 LYS 84 2HB LYS 84 0.509 15.189 6.151 666 HB3 LYS 84 3HB LYS 84 -0.047 15.267 7.817 667 HG2 LYS 84 2HG LYS 84 -0.311 17.800 7.394 668 HG3 LYS 84 3HG LYS 84 -0.192 17.379 5.685 669 HD2 LYS 84 2HD LYS 84 -2.229 16.320 7.655 670 HD3 LYS 84 3HD LYS 84 -2.525 17.510 6.385 671 HE2 LYS 84 2HE LYS 84 -2.098 15.872 4.675 672 HE3 LYS 84 3HE LYS 84 -1.586 14.685 5.879 673 HZ1 LYS 84 3HZ LYS 84 -4.314 15.815 5.596 674 HZ2 LYS 84 1HZ LYS 84 -3.829 14.727 6.795 675 HZ3 LYS 84 2HZ LYS 84 -3.833 14.251 5.174 676 H ASN 85 H ASN 85 1.304 15.547 9.895 677 HA ASN 85 HA ASN 85 0.631 18.189 10.812 678 HB2 ASN 85 2HB ASN 85 0.291 17.110 13.037 679 HB3 ASN 85 3HB ASN 85 -0.631 16.370 11.737 680 HD21 ASN 85 1HD2 ASN 85 -0.196 14.276 11.149 681 HD22 ASN 85 2HD2 ASN 85 0.854 13.256 12.054 682 H GLN 86 H GLN 86 3.512 16.238 10.895 683 HA GLN 86 HA GLN 86 4.811 18.141 12.723 684 HB2 GLN 86 2HB GLN 86 5.780 15.541 11.525 685 HB3 GLN 86 3HB GLN 86 6.731 16.546 12.611 686 HG2 GLN 86 2HG GLN 86 5.128 16.218 14.390 687 HG3 GLN 86 3HG GLN 86 4.065 15.321 13.307 688 HE21 GLN 86 1HE2 GLN 86 4.696 13.270 12.620 689 HE22 GLN 86 2HE2 GLN 86 5.839 12.330 13.507 690 H ASN 87 H ASN 87 4.232 17.988 9.489 691 HA ASN 87 HA ASN 87 5.093 18.941 7.621 692 HB2 ASN 87 2HB ASN 87 6.564 20.621 9.664 693 HB3 ASN 87 3HB ASN 87 6.534 20.971 7.935 694 HD21 ASN 87 1HD2 ASN 87 4.580 21.639 6.984 695 HD22 ASN 87 2HD2 ASN 87 3.276 22.247 7.939 696 H LYS 88 H LYS 88 6.445 16.579 8.699 697 HA LYS 88 HA LYS 88 9.257 16.799 8.345 698 HB2 LYS 88 2HB LYS 88 7.428 14.402 8.149 699 HB3 LYS 88 3HB LYS 88 9.177 14.298 8.059 700 HG2 LYS 88 2HG LYS 88 9.348 15.170 10.340 701 HG3 LYS 88 3HG LYS 88 7.586 15.280 10.426 702 HD2 LYS 88 2HD LYS 88 7.392 12.874 10.099 703 HD3 LYS 88 3HD LYS 88 9.142 12.735 9.927 704 HE2 LYS 88 2HE LYS 88 9.460 13.371 12.233 705 HE3 LYS 88 3HE LYS 88 7.737 13.706 12.420 706 HZ1 LYS 88 3HZ LYS 88 8.381 11.535 13.327 707 HZ2 LYS 88 1HZ LYS 88 8.893 11.039 11.796 708 HZ3 LYS 88 2HZ LYS 88 7.258 11.379 12.072 709 H GLN 89 H GLN 89 9.449 18.019 6.376 710 HA GLN 89 HA GLN 89 8.625 16.875 3.875 711 HB2 GLN 89 2HB GLN 89 10.551 19.130 4.503 712 HB3 GLN 89 3HB GLN 89 10.045 18.682 2.878 713 HG2 GLN 89 2HG GLN 89 7.738 19.222 3.418 714 HG3 GLN 89 3HG GLN 89 8.198 19.607 5.077 715 HE21 GLN 89 1HE2 GLN 89 9.254 21.550 5.496 716 HE22 GLN 89 2HE2 GLN 89 9.374 22.808 4.320 717 H ILE 90 H ILE 90 9.570 14.730 4.383 718 HA ILE 90 HA ILE 90 12.484 14.561 3.984 719 HB ILE 90 HB ILE 90 12.337 12.276 4.811 720 HG12 ILE 90 2HG1 ILE 90 9.354 12.766 5.100 721 HG13 ILE 90 3HG1 ILE 90 10.094 11.729 3.885 722 HG21 ILE 90 1HG2 ILE 90 10.834 14.211 6.586 723 HG22 ILE 90 2HG2 ILE 90 12.588 14.068 6.448 724 HG23 ILE 90 3HG2 ILE 90 11.646 12.739 7.124 725 HD11 ILE 90 3HD1 ILE 90 10.181 11.316 6.867 726 HD12 ILE 90 1HD1 ILE 90 10.953 10.282 5.664 727 HD13 ILE 90 2HD1 ILE 90 9.196 10.422 5.709 728 H SER 91 H SER 91 13.337 12.868 2.565 729 HA SER 91 HA SER 91 11.825 12.667 0.084 730 HB2 SER 91 2HB SER 91 14.641 11.758 0.751 731 HB3 SER 91 3HB SER 91 13.917 11.728 -0.858 732 HG SER 91 HG SER 91 13.686 14.037 -0.670 733 H MET 92 H MET 92 11.717 10.611 -1.106 734 HA MET 92 HA MET 92 10.290 8.671 0.240 735 HB2 MET 92 2HB MET 92 10.578 7.260 -1.759 736 HB3 MET 92 3HB MET 92 10.188 8.923 -2.171 737 HG2 MET 92 2HG MET 92 12.523 9.363 -2.705 738 HG3 MET 92 3HG MET 92 12.949 7.715 -2.247 739 HE1 MET 92 3HE MET 92 11.161 5.598 -5.010 740 HE2 MET 92 1HE MET 92 10.557 6.006 -3.403 741 HE3 MET 92 2HE MET 92 12.248 5.556 -3.623 742 H ALA 93 H ALA 93 13.769 8.865 -0.072 743 HA ALA 93 HA ALA 93 14.531 6.227 0.344 744 HB1 ALA 93 3HB ALA 93 16.641 7.123 1.211 745 HB2 ALA 93 1HB ALA 93 15.900 8.716 1.368 746 HB3 ALA 93 2HB ALA 93 16.110 7.996 -0.227 747 H GLU 94 H GLU 94 13.944 8.732 2.833 748 HA GLU 94 HA GLU 94 14.443 7.057 5.050 749 HB2 GLU 94 2HB GLU 94 12.764 9.568 4.853 750 HB3 GLU 94 3HB GLU 94 13.223 8.791 6.364 751 HG2 GLU 94 2HG GLU 94 15.616 9.109 5.710 752 HG3 GLU 94 3HG GLU 94 15.055 10.062 4.336 753 H ALA 95 H ALA 95 11.495 7.672 3.208 754 HA ALA 95 HA ALA 95 9.664 6.344 4.880 755 HB1 ALA 95 3HB ALA 95 8.257 6.125 2.889 756 HB2 ALA 95 1HB ALA 95 9.628 6.542 1.862 757 HB3 ALA 95 2HB ALA 95 8.971 7.735 2.982 758 H GLN 96 H GLN 96 11.797 5.122 2.315 759 HA GLN 96 HA GLN 96 10.966 2.393 2.538 760 HB2 GLN 96 2HB GLN 96 13.520 3.558 1.392 761 HB3 GLN 96 3HB GLN 96 12.984 1.893 1.192 762 HG2 GLN 96 2HG GLN 96 10.899 2.829 0.104 763 HG3 GLN 96 3HG GLN 96 11.716 4.388 0.088 764 HE21 GLN 96 1HE2 GLN 96 11.675 1.163 -1.202 765 HE22 GLN 96 2HE2 GLN 96 12.740 1.460 -2.526 766 H GLY 97 H GLY 97 13.020 4.386 4.429 767 HA2 GLY 97 2HA GLY 97 14.655 2.360 5.605 768 HA3 GLY 97 3HA GLY 97 14.324 3.951 6.276 769 H LYS 98 H LYS 98 11.440 3.599 6.307 770 HA LYS 98 HA LYS 98 11.198 2.011 8.738 771 HB2 LYS 98 2HB LYS 98 10.177 4.388 8.204 772 HB3 LYS 98 3HB LYS 98 8.896 3.458 7.448 773 HG2 LYS 98 2HG LYS 98 9.744 2.997 10.300 774 HG3 LYS 98 3HG LYS 98 8.543 4.207 9.855 775 HD2 LYS 98 2HD LYS 98 7.165 2.423 8.833 776 HD3 LYS 98 3HD LYS 98 8.360 1.231 9.344 777 HE2 LYS 98 2HE LYS 98 7.946 1.764 11.678 778 HE3 LYS 98 3HE LYS 98 6.833 3.049 11.213 779 HZ1 LYS 98 3HZ LYS 98 5.339 1.419 10.298 780 HZ2 LYS 98 1HZ LYS 98 5.698 1.005 11.892 781 HZ3 LYS 98 2HZ LYS 98 6.425 0.165 10.623 782 H PHE 99 H PHE 99 10.246 1.872 5.366 783 HA PHE 99 HA PHE 99 9.066 -0.799 5.842 784 HB2 PHE 99 2HB PHE 99 8.180 1.179 3.723 785 HB3 PHE 99 3HB PHE 99 7.484 -0.408 4.028 786 HD1 PHE 99 HD2 PHE 99 6.268 -0.814 6.186 787 HD2 PHE 99 HD1 PHE 99 7.475 3.078 4.940 788 HE1 PHE 99 HE2 PHE 99 4.670 0.187 7.764 789 HE2 PHE 99 HE1 PHE 99 5.876 4.082 6.514 790 HZ PHE 99 HZ PHE 99 4.474 2.638 7.930 791 HA PRO 100 HA PRO 100 12.734 -1.017 2.961 792 HB2 PRO 100 2HB PRO 100 13.815 -3.294 3.985 793 HB3 PRO 100 3HB PRO 100 14.099 -1.698 4.689 794 HG2 PRO 100 2HG PRO 100 12.146 -3.816 5.533 795 HG3 PRO 100 3HG PRO 100 13.235 -2.839 6.538 796 HD2 PRO 100 2HD PRO 100 10.613 -2.242 6.259 797 HD3 PRO 100 3HD PRO 100 11.852 -0.983 6.455 798 H GLU 101 H GLU 101 10.193 -3.294 3.689 799 HA GLU 101 HA GLU 101 10.882 -5.014 1.431 800 HB2 GLU 101 2HB GLU 101 8.603 -5.210 3.413 801 HB3 GLU 101 3HB GLU 101 8.987 -6.406 2.181 802 HG2 GLU 101 2HG GLU 101 11.221 -6.696 3.260 803 HG3 GLU 101 3HG GLU 101 10.676 -5.632 4.557 804 H VAL 102 H VAL 102 9.082 -2.204 1.879 805 HA VAL 102 HA VAL 102 7.028 -2.876 -0.098 806 HB VAL 102 HB VAL 102 7.432 -0.345 1.519 807 HG11 VAL 102 1HG1 VAL 102 5.151 -1.176 -0.282 808 HG12 VAL 102 2HG1 VAL 102 6.275 0.159 -0.545 809 HG13 VAL 102 3HG1 VAL 102 5.135 0.219 0.799 810 HG21 VAL 102 3HG2 VAL 102 5.483 -2.633 1.878 811 HG22 VAL 102 1HG2 VAL 102 5.485 -1.134 2.811 812 HG23 VAL 102 2HG2 VAL 102 6.849 -2.246 2.925 813 H VAL 103 H VAL 103 7.013 -2.149 -2.167 814 HA VAL 103 HA VAL 103 9.432 -0.856 -3.160 815 HB VAL 103 HB VAL 103 7.075 -1.954 -4.713 816 HG11 VAL 103 1HG1 VAL 103 9.842 -1.182 -5.657 817 HG12 VAL 103 2HG1 VAL 103 8.358 -0.283 -5.970 818 HG13 VAL 103 3HG1 VAL 103 8.571 -1.897 -6.650 819 HG21 VAL 103 3HG2 VAL 103 8.520 -3.896 -5.165 820 HG22 VAL 103 1HG2 VAL 103 8.173 -3.720 -3.445 821 HG23 VAL 103 2HG2 VAL 103 9.743 -3.228 -4.082 822 H PHE 104 H PHE 104 9.415 1.323 -2.936 823 HA PHE 104 HA PHE 104 6.992 2.866 -3.412 824 HB2 PHE 104 2HB PHE 104 9.789 3.671 -2.576 825 HB3 PHE 104 3HB PHE 104 8.490 4.827 -2.846 826 HD1 PHE 104 HD1 PHE 104 9.222 1.731 -0.894 827 HD2 PHE 104 HD2 PHE 104 7.185 5.466 -1.044 828 HE1 PHE 104 HE1 PHE 104 8.489 1.418 1.430 829 HE2 PHE 104 HE2 PHE 104 6.448 5.159 1.283 830 HZ PHE 104 HZ PHE 104 7.100 3.134 2.523 831 H SER 105 H SER 105 6.990 4.726 -4.862 832 HA SER 105 HA SER 105 8.826 4.540 -7.160 833 HB2 SER 105 2HB SER 105 6.792 3.340 -7.813 834 HB3 SER 105 3HB SER 105 5.803 4.724 -7.351 835 HG SER 105 HG SER 105 6.640 4.316 -9.695 836 H GLY 106 H GLY 106 9.726 6.463 -7.546 837 HA2 GLY 106 2HA GLY 106 8.182 8.910 -6.894 838 HA3 GLY 106 3HA GLY 106 9.885 8.754 -6.500 839 H SER 107 H SER 107 7.561 9.189 -9.095 840 HA SER 107 HA SER 107 9.411 10.751 -10.620 841 HB2 SER 107 2HB SER 107 10.204 8.503 -11.287 842 HB3 SER 107 3HB SER 107 8.576 8.093 -11.830 843 HG SER 107 HG SER 107 10.489 9.295 -13.202 844 H ASN 108 H ASN 108 8.380 11.180 -12.916 845 HA ASN 108 HA ASN 108 5.591 11.928 -12.402 846 HB2 ASN 108 2HB ASN 108 7.185 13.693 -13.090 847 HB3 ASN 108 3HB ASN 108 7.481 12.832 -14.597 848 HD21 ASN 108 1HD2 ASN 108 6.753 14.533 -15.859 849 HD22 ASN 108 2HD2 ASN 108 5.086 14.969 -15.956 850 H LEU 109 H LEU 109 3.961 11.634 -14.049 851 HA LEU 109 HA LEU 109 4.307 9.127 -15.520 852 HB2 LEU 109 2HB LEU 109 1.775 9.438 -15.899 853 HB3 LEU 109 3HB LEU 109 2.344 9.030 -14.294 854 HG LEU 109 HG LEU 109 2.171 11.476 -13.697 855 HD11 LEU 109 1HD1 LEU 109 0.676 12.868 -15.085 856 HD12 LEU 109 2HD1 LEU 109 0.751 11.640 -16.349 857 HD13 LEU 109 3HD1 LEU 109 2.214 12.499 -15.863 858 HD21 LEU 109 3HD2 LEU 109 0.484 9.862 -13.008 859 HD22 LEU 109 1HD2 LEU 109 -0.378 10.091 -14.531 860 HD23 LEU 109 2HD2 LEU 109 -0.246 11.422 -13.381 861 H GLU 110 H GLU 110 3.460 8.923 -17.745 862 HA GLU 110 HA GLU 110 4.539 11.005 -19.404 863 HB2 GLU 110 2HB GLU 110 3.063 8.465 -20.133 864 HB3 GLU 110 3HB GLU 110 3.833 9.540 -21.293 865 HG2 GLU 110 2HG GLU 110 6.004 9.121 -20.247 866 HG3 GLU 110 3HG GLU 110 5.236 8.044 -19.082 867 H HIS 111 H HIS 111 1.253 9.588 -19.195 868 HA HIS 111 HA HIS 111 0.212 11.893 -20.688 869 HB2 HIS 111 2HB HIS 111 -1.156 9.289 -19.953 870 HB3 HIS 111 3HB HIS 111 -1.805 10.541 -21.008 871 HD1 HIS 111 HD1 HIS 111 0.206 7.503 -21.043 872 HD2 HIS 111 HD2 HIS 111 -0.234 10.847 -23.479 873 HE1 HIS 111 HE1 HIS 111 1.247 6.879 -23.239 874 HE2 HIS 111 HE2 HIS 111 0.775 8.831 -24.748 875 H HIS 112 H HIS 112 0.009 13.525 -19.209 876 HA HIS 112 HA HIS 112 -1.026 13.279 -16.593 877 HB2 HIS 112 2HB HIS 112 -1.290 15.755 -16.690 878 HB3 HIS 112 3HB HIS 112 0.301 15.210 -17.208 879 HD1 HIS 112 HD1 HIS 112 -2.957 16.482 -18.664 880 HD2 HIS 112 HD2 HIS 112 1.034 16.031 -19.729 881 HE1 HIS 112 HE1 HIS 112 -2.714 17.664 -20.863 882 HE2 HIS 112 HE2 HIS 112 -0.256 17.562 -21.370 883 H HIS 113 H HIS 113 -3.071 13.240 -15.794 884 HA HIS 113 HA HIS 113 -5.250 13.054 -17.725 885 HB2 HIS 113 2HB HIS 113 -6.577 12.175 -15.845 886 HB3 HIS 113 3HB HIS 113 -5.074 11.289 -16.059 887 HD1 HIS 113 HD1 HIS 113 -3.529 11.163 -14.077 888 HD2 HIS 113 HD2 HIS 113 -6.604 13.907 -13.528 889 HE1 HIS 113 HE1 HIS 113 -3.406 11.842 -11.661 890 HE2 HIS 113 HE2 HIS 113 -5.154 13.628 -11.403 891 H HIS 114 H HIS 114 -7.239 14.172 -17.521 892 HA HIS 114 HA HIS 114 -7.038 16.780 -16.135 893 HB2 HIS 114 2HB HIS 114 -6.893 16.980 -18.591 894 HB3 HIS 114 3HB HIS 114 -8.430 16.140 -18.755 895 HD1 HIS 114 HD1 HIS 114 -7.046 19.345 -17.282 896 HD2 HIS 114 HD2 HIS 114 -10.595 17.790 -18.767 897 HE1 HIS 114 HE1 HIS 114 -8.638 21.277 -17.357 898 HE2 HIS 114 HE2 HIS 114 -10.834 20.254 -18.024 899 H HIS 115 H HIS 115 -8.314 16.657 -14.366 900 HA HIS 115 HA HIS 115 -10.405 14.782 -14.036 901 HB2 HIS 115 2HB HIS 115 -9.125 15.677 -12.150 902 HB3 HIS 115 3HB HIS 115 -9.788 17.281 -12.436 903 HD1 HIS 115 HD1 HIS 115 -10.557 14.008 -10.881 904 HD2 HIS 115 HD2 HIS 115 -12.508 17.598 -11.623 905 HE1 HIS 115 HE1 HIS 115 -12.631 13.946 -9.474 906 HE2 HIS 115 HE2 HIS 115 -13.699 16.196 -9.807 907 H HIS 116 H HIS 116 -10.659 18.366 -14.245 908 HA HIS 116 HA HIS 116 -13.501 18.008 -14.994 909 HB2 HIS 116 2HB HIS 116 -13.193 19.172 -12.856 910 HB3 HIS 116 3HB HIS 116 -12.185 20.381 -13.644 911 HD1 HIS 116 HD1 HIS 116 -13.362 22.368 -14.604 912 HD2 HIS 116 HD2 HIS 116 -15.967 19.239 -13.765 913 HE1 HIS 116 HE1 HIS 116 -15.665 23.294 -14.963 914 HE2 HIS 116 HE2 HIS 116 -17.201 21.324 -14.667 Start of MODEL 10 1 H1 MET 1 1H MET 1 9.134 -34.947 -6.071 2 H2 MET 1 2H MET 1 10.458 -34.437 -6.986 3 H3 MET 1 3H MET 1 9.364 -35.556 -7.632 4 HA MET 1 HA MET 1 8.784 -32.731 -6.948 5 HB2 MET 1 2HB MET 1 9.018 -34.116 -9.629 6 HB3 MET 1 3HB MET 1 8.453 -32.468 -9.403 7 HG2 MET 1 2HG MET 1 10.645 -31.870 -8.451 8 HG3 MET 1 3HG MET 1 11.204 -33.515 -8.759 9 HE1 MET 1 3HE MET 1 13.126 -31.472 -11.490 10 HE2 MET 1 1HE MET 1 13.272 -32.631 -10.168 11 HE3 MET 1 2HE MET 1 12.766 -30.973 -9.838 12 H ALA 2 H ALA 2 6.739 -32.397 -6.398 13 HA ALA 2 HA ALA 2 4.583 -33.473 -7.988 14 HB1 ALA 2 3HB ALA 2 4.911 -35.296 -6.375 15 HB2 ALA 2 1HB ALA 2 3.354 -34.500 -6.145 16 HB3 ALA 2 2HB ALA 2 4.690 -34.159 -5.046 17 H ALA 3 H ALA 3 3.943 -31.409 -8.472 18 HA ALA 3 HA ALA 3 3.876 -29.308 -6.526 19 HB1 ALA 3 3HB ALA 3 3.015 -27.920 -8.327 20 HB2 ALA 3 1HB ALA 3 2.724 -29.353 -9.316 21 HB3 ALA 3 2HB ALA 3 4.373 -28.892 -8.895 22 H SER 4 H SER 4 2.288 -28.733 -5.192 23 HA SER 4 HA SER 4 -0.484 -29.591 -5.775 24 HB2 SER 4 2HB SER 4 -0.895 -29.609 -3.350 25 HB3 SER 4 3HB SER 4 0.428 -30.697 -3.764 26 HG SER 4 HG SER 4 0.454 -28.695 -2.038 27 H THR 5 H THR 5 1.540 -27.009 -4.405 28 HA THR 5 HA THR 5 -0.407 -25.032 -5.351 29 HB THR 5 HB THR 5 0.635 -24.987 -2.500 30 HG1 THR 5 HG1 THR 5 -1.601 -26.097 -3.616 31 HG21 THR 5 3HG2 THR 5 -1.266 -23.122 -3.937 32 HG22 THR 5 1HG2 THR 5 0.381 -22.739 -3.438 33 HG23 THR 5 2HG2 THR 5 -0.860 -23.051 -2.223 34 H VAL 6 H VAL 6 0.625 -23.454 -6.420 35 HA VAL 6 HA VAL 6 3.491 -23.385 -6.511 36 HB VAL 6 HB VAL 6 2.087 -22.969 -8.506 37 HG11 VAL 6 1HG1 VAL 6 1.409 -20.345 -7.179 38 HG12 VAL 6 2HG1 VAL 6 0.298 -21.686 -7.459 39 HG13 VAL 6 3HG1 VAL 6 0.990 -20.813 -8.827 40 HG21 VAL 6 3HG2 VAL 6 4.407 -22.205 -8.479 41 HG22 VAL 6 1HG2 VAL 6 3.905 -20.663 -7.783 42 HG23 VAL 6 2HG2 VAL 6 3.396 -21.103 -9.415 43 H HIS 7 H HIS 7 1.089 -21.626 -4.743 44 HA HIS 7 HA HIS 7 1.191 -20.036 -3.126 45 HB2 HIS 7 2HB HIS 7 2.992 -21.353 -2.150 46 HB3 HIS 7 3HB HIS 7 4.166 -20.613 -3.232 47 HD1 HIS 7 HD1 HIS 7 4.995 -18.250 -2.646 48 HD2 HIS 7 HD2 HIS 7 2.212 -19.762 0.039 49 HE1 HIS 7 HE1 HIS 7 5.079 -16.720 -0.663 50 HE2 HIS 7 HE2 HIS 7 3.502 -17.741 1.009 51 H THR 8 H THR 8 0.443 -18.302 -4.293 52 HA THR 8 HA THR 8 2.409 -16.540 -5.600 53 HB THR 8 HB THR 8 -0.625 -16.463 -5.703 54 HG1 THR 8 HG1 THR 8 -0.120 -16.986 -7.991 55 HG21 THR 8 3HG2 THR 8 0.319 -14.210 -5.919 56 HG22 THR 8 1HG2 THR 8 -0.342 -14.762 -7.459 57 HG23 THR 8 2HG2 THR 8 1.402 -14.778 -7.190 58 H SER 9 H SER 9 3.329 -15.252 -4.075 59 HA SER 9 HA SER 9 1.803 -14.200 -1.841 60 HB2 SER 9 2HB SER 9 4.176 -14.864 -1.554 61 HB3 SER 9 3HB SER 9 4.655 -13.592 -2.676 62 HG SER 9 HG SER 9 4.697 -13.159 -0.287 63 H PHE 10 H PHE 10 2.396 -11.696 -1.382 64 HA PHE 10 HA PHE 10 1.725 -10.173 -3.811 65 HB2 PHE 10 2HB PHE 10 0.232 -9.938 -1.181 66 HB3 PHE 10 3HB PHE 10 -0.070 -8.992 -2.637 67 HD1 PHE 10 HD1 PHE 10 -0.915 -10.159 -4.696 68 HD2 PHE 10 HD2 PHE 10 -0.734 -12.074 -0.897 69 HE1 PHE 10 HE1 PHE 10 -2.487 -11.875 -5.489 70 HE2 PHE 10 HE2 PHE 10 -2.308 -13.791 -1.685 71 HZ PHE 10 HZ PHE 10 -3.184 -13.695 -3.982 72 H ILE 11 H ILE 11 2.483 -8.101 -3.894 73 HA ILE 11 HA ILE 11 4.148 -7.161 -1.634 74 HB ILE 11 HB ILE 11 4.638 -6.668 -4.586 75 HG12 ILE 11 2HG1 ILE 11 6.070 -8.523 -2.657 76 HG13 ILE 11 3HG1 ILE 11 5.077 -9.013 -4.024 77 HG21 ILE 11 1HG2 ILE 11 6.774 -5.718 -3.865 78 HG22 ILE 11 2HG2 ILE 11 6.341 -6.000 -2.180 79 HG23 ILE 11 3HG2 ILE 11 5.419 -4.847 -3.147 80 HD11 ILE 11 3HD1 ILE 11 7.427 -9.223 -4.548 81 HD12 ILE 11 1HD1 ILE 11 7.688 -7.521 -4.172 82 HD13 ILE 11 2HD1 ILE 11 6.688 -7.976 -5.552 83 H LEU 12 H LEU 12 4.036 -4.961 -1.106 84 HA LEU 12 HA LEU 12 1.826 -3.459 -2.340 85 HB2 LEU 12 2HB LEU 12 1.686 -3.789 0.075 86 HB3 LEU 12 3HB LEU 12 3.266 -3.059 0.286 87 HG LEU 12 HG LEU 12 2.309 -0.920 -0.657 88 HD11 LEU 12 1HD1 LEU 12 0.385 -1.879 -1.815 89 HD12 LEU 12 2HD1 LEU 12 -0.113 -0.646 -0.657 90 HD13 LEU 12 3HD1 LEU 12 -0.318 -2.354 -0.268 91 HD21 LEU 12 3HD2 LEU 12 2.657 -1.255 1.737 92 HD22 LEU 12 1HD2 LEU 12 1.053 -1.976 1.874 93 HD23 LEU 12 2HD2 LEU 12 1.222 -0.278 1.425 94 H LYS 13 H LYS 13 2.344 -1.908 -3.779 95 HA LYS 13 HA LYS 13 4.915 -0.492 -3.495 96 HB2 LYS 13 2HB LYS 13 3.018 -0.483 -5.855 97 HB3 LYS 13 3HB LYS 13 4.571 0.336 -5.779 98 HG2 LYS 13 2HG LYS 13 5.572 -1.991 -5.387 99 HG3 LYS 13 3HG LYS 13 4.011 -2.607 -5.931 100 HD2 LYS 13 2HD LYS 13 5.988 -0.926 -7.468 101 HD3 LYS 13 3HD LYS 13 5.425 -2.555 -7.845 102 HE2 LYS 13 2HE LYS 13 3.746 -0.040 -7.917 103 HE3 LYS 13 3HE LYS 13 4.407 -0.877 -9.318 104 HZ1 LYS 13 3HZ LYS 13 2.038 -1.369 -8.829 105 HZ2 LYS 13 1HZ LYS 13 2.522 -2.135 -7.399 106 HZ3 LYS 13 2HZ LYS 13 3.020 -2.743 -8.893 107 H VAL 14 H VAL 14 5.004 1.628 -3.029 108 HA VAL 14 HA VAL 14 2.465 3.120 -2.793 109 HB VAL 14 HB VAL 14 4.922 3.351 -1.030 110 HG11 VAL 14 1HG1 VAL 14 3.816 5.512 -1.336 111 HG12 VAL 14 2HG1 VAL 14 3.592 4.915 0.306 112 HG13 VAL 14 3HG1 VAL 14 2.274 4.802 -0.861 113 HG21 VAL 14 3HG2 VAL 14 3.514 2.444 0.742 114 HG22 VAL 14 1HG2 VAL 14 3.609 1.315 -0.609 115 HG23 VAL 14 2HG2 VAL 14 2.162 2.296 -0.382 116 H LEU 15 H LEU 15 2.409 4.545 -4.433 117 HA LEU 15 HA LEU 15 4.805 5.704 -5.569 118 HB2 LEU 15 2HB LEU 15 2.562 4.993 -6.737 119 HB3 LEU 15 3HB LEU 15 2.008 6.579 -6.245 120 HG LEU 15 HG LEU 15 4.361 6.007 -8.069 121 HD11 LEU 15 1HD1 LEU 15 1.640 7.167 -8.671 122 HD12 LEU 15 2HD1 LEU 15 2.202 5.554 -9.110 123 HD13 LEU 15 3HD1 LEU 15 2.967 6.976 -9.818 124 HD21 LEU 15 3HD2 LEU 15 4.770 8.030 -6.781 125 HD22 LEU 15 1HD2 LEU 15 3.176 8.653 -7.213 126 HD23 LEU 15 2HD2 LEU 15 4.408 8.434 -8.457 127 H TRP 16 H TRP 16 5.745 7.489 -4.764 128 HA TRP 16 HA TRP 16 4.306 9.156 -2.842 129 HB2 TRP 16 2HB TRP 16 6.710 8.159 -2.592 130 HB3 TRP 16 3HB TRP 16 7.200 9.509 -3.608 131 HD1 TRP 16 HD1 TRP 16 6.842 12.015 -2.539 132 HE1 TRP 16 HE1 TRP 16 6.813 12.774 -0.080 133 HE3 TRP 16 HE3 TRP 16 6.072 7.485 -0.304 134 HZ2 TRP 16 HZ2 TRP 16 6.505 11.601 2.475 135 HZ3 TRP 16 HZ3 TRP 16 5.923 7.387 2.150 136 HH2 TRP 16 HH2 TRP 16 6.136 9.402 3.509 137 H LEU 17 H LEU 17 3.384 11.043 -3.437 138 HA LEU 17 HA LEU 17 4.342 12.385 -5.894 139 HB2 LEU 17 2HB LEU 17 1.594 12.374 -4.635 140 HB3 LEU 17 3HB LEU 17 2.050 13.401 -5.982 141 HG LEU 17 HG LEU 17 2.033 10.373 -6.028 142 HD11 LEU 17 1HD1 LEU 17 0.118 12.365 -7.246 143 HD12 LEU 17 2HD1 LEU 17 -0.223 11.269 -5.907 144 HD13 LEU 17 3HD1 LEU 17 0.096 10.622 -7.516 145 HD21 LEU 17 3HD2 LEU 17 2.518 12.381 -8.237 146 HD22 LEU 17 1HD2 LEU 17 2.380 10.633 -8.444 147 HD23 LEU 17 2HD2 LEU 17 3.721 11.308 -7.522 148 H ASP 18 H ASP 18 3.434 14.816 -5.809 149 HA ASP 18 HA ASP 18 5.135 16.228 -4.114 150 HB2 ASP 18 2HB ASP 18 2.605 17.308 -5.382 151 HB3 ASP 18 3HB ASP 18 4.045 18.222 -4.938 152 H GLN 19 H GLN 19 1.561 16.183 -3.907 153 HA GLN 19 HA GLN 19 1.787 16.725 -1.006 154 HB2 GLN 19 2HB GLN 19 -0.324 17.695 -2.951 155 HB3 GLN 19 3HB GLN 19 -0.374 17.944 -1.211 156 HG2 GLN 19 2HG GLN 19 1.678 19.256 -1.324 157 HG3 GLN 19 3HG GLN 19 1.763 18.989 -3.064 158 HE21 GLN 19 1HE2 GLN 19 1.681 21.198 -3.484 159 HE22 GLN 19 2HE2 GLN 19 0.231 22.117 -3.299 160 H ASN 20 H ASN 20 1.143 14.287 -2.991 161 HA ASN 20 HA ASN 20 -0.951 13.138 -1.269 162 HB2 ASN 20 2HB ASN 20 -0.961 13.017 -4.300 163 HB3 ASN 20 3HB ASN 20 -2.095 12.186 -3.238 164 HD21 ASN 20 1HD2 ASN 20 -3.654 13.395 -2.138 165 HD22 ASN 20 2HD2 ASN 20 -4.066 15.001 -2.622 166 H VAL 21 H VAL 21 -1.238 10.712 -1.905 167 HA VAL 21 HA VAL 21 1.229 9.421 -2.785 168 HB VAL 21 HB VAL 21 1.597 9.654 -0.394 169 HG11 VAL 21 1HG1 VAL 21 -1.054 8.260 -0.018 170 HG12 VAL 21 2HG1 VAL 21 -0.725 9.965 0.295 171 HG13 VAL 21 3HG1 VAL 21 0.070 8.721 1.262 172 HG21 VAL 21 3HG2 VAL 21 1.815 7.302 0.277 173 HG22 VAL 21 1HG2 VAL 21 2.365 7.563 -1.379 174 HG23 VAL 21 2HG2 VAL 21 0.791 6.824 -1.077 175 H ALA 22 H ALA 22 0.885 7.283 -3.564 176 HA ALA 22 HA ALA 22 -1.934 6.387 -3.643 177 HB1 ALA 22 3HB ALA 22 -0.012 6.335 -5.975 178 HB2 ALA 22 1HB ALA 22 -1.353 7.463 -5.770 179 HB3 ALA 22 2HB ALA 22 -1.673 5.741 -5.978 180 H ILE 23 H ILE 23 -2.305 4.176 -3.514 181 HA ILE 23 HA ILE 23 0.096 2.476 -3.158 182 HB ILE 23 HB ILE 23 -1.164 1.128 -1.519 183 HG12 ILE 23 2HG1 ILE 23 -3.250 3.328 -1.699 184 HG13 ILE 23 3HG1 ILE 23 -3.455 1.686 -2.298 185 HG21 ILE 23 1HG2 ILE 23 0.347 2.882 -0.747 186 HG22 ILE 23 2HG2 ILE 23 -1.030 2.726 0.342 187 HG23 ILE 23 3HG2 ILE 23 -0.962 4.061 -0.810 188 HD11 ILE 23 3HD1 ILE 23 -3.260 0.832 -0.022 189 HD12 ILE 23 1HD1 ILE 23 -4.573 1.999 -0.169 190 HD13 ILE 23 2HD1 ILE 23 -3.050 2.476 0.580 191 H ALA 24 H ALA 24 0.038 0.357 -3.882 192 HA ALA 24 HA ALA 24 -2.337 -0.799 -5.068 193 HB1 ALA 24 3HB ALA 24 -1.537 0.612 -6.913 194 HB2 ALA 24 1HB ALA 24 -1.393 -1.102 -7.305 195 HB3 ALA 24 2HB ALA 24 0.038 -0.181 -6.840 196 H VAL 25 H VAL 25 -2.164 -3.055 -5.329 197 HA VAL 25 HA VAL 25 0.258 -4.242 -4.131 198 HB VAL 25 HB VAL 25 -2.563 -5.341 -4.270 199 HG11 VAL 25 1HG1 VAL 25 -1.737 -7.188 -2.868 200 HG12 VAL 25 2HG1 VAL 25 -0.093 -6.565 -3.022 201 HG13 VAL 25 3HG1 VAL 25 -0.945 -7.164 -4.444 202 HG21 VAL 25 3HG2 VAL 25 -2.524 -5.088 -1.825 203 HG22 VAL 25 1HG2 VAL 25 -2.302 -3.541 -2.641 204 HG23 VAL 25 2HG2 VAL 25 -0.917 -4.368 -1.925 205 H ASP 26 H ASP 26 1.393 -5.797 -5.148 206 HA ASP 26 HA ASP 26 0.526 -6.650 -7.841 207 HB2 ASP 26 2HB ASP 26 3.351 -6.465 -6.755 208 HB3 ASP 26 3HB ASP 26 2.890 -6.859 -8.411 209 H GLN 27 H GLN 27 1.126 -8.831 -8.483 210 HA GLN 27 HA GLN 27 1.206 -10.697 -6.193 211 HB2 GLN 27 2HB GLN 27 0.114 -12.323 -7.655 212 HB3 GLN 27 3HB GLN 27 -0.822 -10.836 -7.581 213 HG2 GLN 27 2HG GLN 27 0.153 -10.156 -9.746 214 HG3 GLN 27 3HG GLN 27 0.998 -11.700 -9.823 215 HE21 GLN 27 1HE2 GLN 27 -0.223 -13.597 -10.109 216 HE22 GLN 27 2HE2 GLN 27 -1.816 -13.546 -10.769 217 H ILE 28 H ILE 28 2.779 -12.244 -6.054 218 HA ILE 28 HA ILE 28 5.004 -12.097 -7.927 219 HB ILE 28 HB ILE 28 4.718 -13.725 -5.387 220 HG12 ILE 28 2HG1 ILE 28 6.137 -11.100 -5.946 221 HG13 ILE 28 3HG1 ILE 28 4.710 -11.317 -4.940 222 HG21 ILE 28 1HG2 ILE 28 7.153 -14.045 -5.555 223 HG22 ILE 28 2HG2 ILE 28 7.157 -13.201 -7.104 224 HG23 ILE 28 3HG2 ILE 28 6.312 -14.739 -6.941 225 HD11 ILE 28 3HD1 ILE 28 6.027 -12.642 -3.366 226 HD12 ILE 28 1HD1 ILE 28 6.700 -11.028 -3.593 227 HD13 ILE 28 2HD1 ILE 28 7.456 -12.415 -4.376 228 H VAL 29 H VAL 29 4.923 -13.271 -9.714 229 HA VAL 29 HA VAL 29 3.561 -15.898 -9.717 230 HB VAL 29 HB VAL 29 4.341 -14.258 -12.141 231 HG11 VAL 29 1HG1 VAL 29 3.879 -16.616 -12.579 232 HG12 VAL 29 2HG1 VAL 29 2.635 -15.589 -13.290 233 HG13 VAL 29 3HG1 VAL 29 2.304 -16.464 -11.794 234 HG21 VAL 29 3HG2 VAL 29 1.720 -14.189 -10.640 235 HG22 VAL 29 1HG2 VAL 29 2.008 -13.453 -12.219 236 HG23 VAL 29 2HG2 VAL 29 2.880 -12.868 -10.800 237 H GLY 30 H GLY 30 4.584 -17.631 -11.069 238 HA2 GLY 30 2HA GLY 30 7.374 -17.957 -10.616 239 HA3 GLY 30 3HA GLY 30 6.372 -18.974 -11.641 240 H LYS 31 H LYS 31 7.926 -15.787 -11.604 241 HA LYS 31 HA LYS 31 9.324 -15.904 -13.985 242 HB2 LYS 31 2HB LYS 31 7.045 -16.178 -15.016 243 HB3 LYS 31 3HB LYS 31 6.614 -14.593 -14.391 244 HG2 LYS 31 2HG LYS 31 7.191 -14.373 -16.702 245 HG3 LYS 31 3HG LYS 31 8.454 -13.610 -15.736 246 HD2 LYS 31 2HD LYS 31 9.579 -14.834 -17.421 247 HD3 LYS 31 3HD LYS 31 9.752 -15.783 -15.947 248 HE2 LYS 31 2HE LYS 31 7.675 -16.292 -18.081 249 HE3 LYS 31 3HE LYS 31 9.215 -17.136 -17.971 250 HZ1 LYS 31 3HZ LYS 31 8.524 -17.919 -15.749 251 HZ2 LYS 31 1HZ LYS 31 7.514 -18.464 -16.988 252 HZ3 LYS 31 2HZ LYS 31 7.008 -17.205 -15.985 253 H GLY 32 H GLY 32 7.187 -13.835 -12.070 254 HA2 GLY 32 2HA GLY 32 9.126 -12.087 -11.104 255 HA3 GLY 32 3HA GLY 32 8.497 -11.369 -12.579 256 H THR 33 H THR 33 7.319 -9.675 -11.780 257 HA THR 33 HA THR 33 5.105 -10.343 -9.934 258 HB THR 33 HB THR 33 5.201 -8.050 -9.035 259 HG1 THR 33 HG1 THR 33 6.702 -6.613 -9.703 260 HG21 THR 33 3HG2 THR 33 7.272 -8.280 -7.721 261 HG22 THR 33 1HG2 THR 33 7.839 -9.524 -8.836 262 HG23 THR 33 2HG2 THR 33 6.410 -9.813 -7.844 263 H SER 34 H SER 34 3.111 -9.358 -10.298 264 HA SER 34 HA SER 34 2.816 -7.741 -12.747 265 HB2 SER 34 2HB SER 34 2.245 -10.029 -13.392 266 HB3 SER 34 3HB SER 34 1.134 -10.164 -12.029 267 HG SER 34 HG SER 34 -0.324 -9.327 -13.269 268 HA PRO 35 HA PRO 35 0.502 -5.052 -10.026 269 HB2 PRO 35 2HB PRO 35 -0.904 -4.319 -12.559 270 HB3 PRO 35 3HB PRO 35 -0.123 -3.276 -11.363 271 HG2 PRO 35 2HG PRO 35 1.059 -3.766 -13.695 272 HG3 PRO 35 3HG PRO 35 2.012 -3.695 -12.199 273 HD2 PRO 35 2HD PRO 35 1.110 -6.090 -13.766 274 HD3 PRO 35 3HD PRO 35 2.653 -5.803 -12.934 275 H LEU 36 H LEU 36 -0.958 -6.037 -8.743 276 HA LEU 36 HA LEU 36 -3.096 -7.658 -9.850 277 HB2 LEU 36 2HB LEU 36 -1.806 -8.373 -7.856 278 HB3 LEU 36 3HB LEU 36 -2.450 -7.004 -6.972 279 HG LEU 36 HG LEU 36 -4.751 -7.947 -7.307 280 HD11 LEU 36 1HD1 LEU 36 -4.298 -9.324 -9.269 281 HD12 LEU 36 2HD1 LEU 36 -4.968 -10.292 -7.956 282 HD13 LEU 36 3HD1 LEU 36 -3.242 -10.362 -8.312 283 HD21 LEU 36 3HD2 LEU 36 -3.551 -8.257 -5.209 284 HD22 LEU 36 1HD2 LEU 36 -2.778 -9.707 -5.850 285 HD23 LEU 36 2HD2 LEU 36 -4.522 -9.679 -5.594 286 H THR 37 H THR 37 -2.815 -4.672 -7.923 287 HA THR 37 HA THR 37 -5.637 -4.044 -8.596 288 HB THR 37 HB THR 37 -5.885 -2.809 -6.546 289 HG1 THR 37 HG1 THR 37 -4.013 -1.903 -5.994 290 HG21 THR 37 3HG2 THR 37 -6.260 -5.226 -6.358 291 HG22 THR 37 1HG2 THR 37 -5.629 -4.562 -4.850 292 HG23 THR 37 2HG2 THR 37 -4.564 -5.461 -5.933 293 H SER 38 H SER 38 -6.121 -1.723 -8.799 294 HA SER 38 HA SER 38 -4.037 -0.285 -10.195 295 HB2 SER 38 2HB SER 38 -6.441 -0.243 -10.907 296 HB3 SER 38 3HB SER 38 -6.811 0.692 -9.457 297 HG SER 38 HG SER 38 -5.336 1.427 -11.741 298 H TYR 39 H TYR 39 -4.049 2.250 -9.658 299 HA TYR 39 HA TYR 39 -2.941 2.390 -6.957 300 HB2 TYR 39 2HB TYR 39 -2.747 4.276 -9.319 301 HB3 TYR 39 3HB TYR 39 -2.006 4.585 -7.750 302 HD1 TYR 39 HD1 TYR 39 -1.918 2.423 -10.743 303 HD2 TYR 39 HD2 TYR 39 -0.002 3.430 -7.072 304 HE1 TYR 39 HE1 TYR 39 0.061 1.131 -11.424 305 HE2 TYR 39 HE2 TYR 39 1.979 2.142 -7.748 306 HH TYR 39 HH TYR 39 2.517 1.102 -10.893 307 H PHE 40 H PHE 40 -4.086 3.152 -5.326 308 HA PHE 40 HA PHE 40 -6.398 4.906 -5.821 309 HB2 PHE 40 2HB PHE 40 -5.602 3.550 -3.230 310 HB3 PHE 40 3HB PHE 40 -7.161 4.274 -3.618 311 HD1 PHE 40 HD1 PHE 40 -8.474 3.214 -5.580 312 HD2 PHE 40 HD2 PHE 40 -5.254 1.276 -3.570 313 HE1 PHE 40 HE1 PHE 40 -9.272 1.040 -6.403 314 HE2 PHE 40 HE2 PHE 40 -6.055 -0.903 -4.390 315 HZ PHE 40 HZ PHE 40 -8.066 -1.022 -5.809 316 H PHE 41 H PHE 41 -6.362 7.038 -5.288 317 HA PHE 41 HA PHE 41 -3.882 8.150 -4.250 318 HB2 PHE 41 2HB PHE 41 -6.345 9.437 -5.442 319 HB3 PHE 41 3HB PHE 41 -4.969 10.355 -4.838 320 HD1 PHE 41 HD1 PHE 41 -6.164 8.116 -7.484 321 HD2 PHE 41 HD2 PHE 41 -2.865 10.382 -6.026 322 HE1 PHE 41 HE1 PHE 41 -5.039 7.870 -9.656 323 HE2 PHE 41 HE2 PHE 41 -1.739 10.141 -8.200 324 HZ PHE 41 HZ PHE 41 -2.825 8.883 -10.016 325 H TRP 42 H TRP 42 -3.548 8.896 -2.288 326 HA TRP 42 HA TRP 42 -5.813 9.521 -0.507 327 HB2 TRP 42 2HB TRP 42 -5.113 7.447 0.321 328 HB3 TRP 42 3HB TRP 42 -3.423 7.753 -0.044 329 HD1 TRP 42 HD1 TRP 42 -1.949 8.754 1.854 330 HE1 TRP 42 HE1 TRP 42 -2.342 9.368 4.305 331 HE3 TRP 42 HE3 TRP 42 -7.050 8.401 1.953 332 HZ2 TRP 42 HZ2 TRP 42 -4.528 9.675 6.067 333 HZ3 TRP 42 HZ3 TRP 42 -8.215 8.865 4.071 334 HH2 TRP 42 HH2 TRP 42 -6.982 9.487 6.084 335 HA PRO 43 HA PRO 43 -6.389 10.515 1.011 336 HB2 PRO 43 2HB PRO 43 -7.126 12.739 2.253 337 HB3 PRO 43 3HB PRO 43 -5.828 11.742 2.928 338 HG2 PRO 43 2HG PRO 43 -5.639 14.265 1.319 339 HG3 PRO 43 3HG PRO 43 -4.728 13.799 2.772 340 HD2 PRO 43 2HD PRO 43 -3.814 13.532 0.152 341 HD3 PRO 43 3HD PRO 43 -3.179 12.637 1.548 342 H ARG 44 H ARG 44 -7.383 10.333 -1.019 343 HA ARG 44 HA ARG 44 -8.919 12.694 -1.834 344 HB2 ARG 44 2HB ARG 44 -7.265 10.964 -3.693 345 HB3 ARG 44 3HB ARG 44 -8.540 12.035 -4.263 346 HG2 ARG 44 2HG ARG 44 -7.360 13.968 -3.433 347 HG3 ARG 44 3HG ARG 44 -6.135 12.944 -2.685 348 HD2 ARG 44 2HD ARG 44 -5.392 13.965 -4.821 349 HD3 ARG 44 3HD ARG 44 -5.357 12.203 -4.836 350 HE ARG 44 HE ARG 44 -7.146 12.189 -6.342 351 HH11 ARG 44 1HH1 ARG 44 -6.363 15.420 -5.405 352 HH12 ARG 44 2HH1 ARG 44 -7.154 16.116 -6.775 353 HH21 ARG 44 1HH2 ARG 44 -8.131 13.096 -8.096 354 HH22 ARG 44 2HH2 ARG 44 -8.156 14.816 -8.276 355 H ALA 45 H ALA 45 -8.422 9.214 -2.084 356 HA ALA 45 HA ALA 45 -11.333 8.844 -1.836 357 HB1 ALA 45 3HB ALA 45 -11.201 6.879 -3.314 358 HB2 ALA 45 1HB ALA 45 -9.496 7.222 -3.611 359 HB3 ALA 45 2HB ALA 45 -10.732 8.355 -4.158 360 H ASP 46 H ASP 46 -11.808 6.539 -1.038 361 HA ASP 46 HA ASP 46 -10.295 6.049 1.323 362 HB2 ASP 46 2HB ASP 46 -12.377 4.277 0.013 363 HB3 ASP 46 3HB ASP 46 -11.824 4.181 1.683 364 H ALA 47 H ALA 47 -8.171 5.717 0.510 365 HA ALA 47 HA ALA 47 -7.369 3.944 -1.457 366 HB1 ALA 47 3HB ALA 47 -5.144 4.070 -0.483 367 HB2 ALA 47 1HB ALA 47 -5.820 4.716 1.015 368 HB3 ALA 47 2HB ALA 47 -5.920 5.654 -0.475 369 H TRP 48 H TRP 48 -7.339 3.279 2.072 370 HA TRP 48 HA TRP 48 -6.481 0.580 1.723 371 HB2 TRP 48 2HB TRP 48 -6.099 1.954 3.787 372 HB3 TRP 48 3HB TRP 48 -7.815 1.805 4.154 373 HD1 TRP 48 HD1 TRP 48 -4.663 -0.407 3.805 374 HE1 TRP 48 HE1 TRP 48 -4.979 -2.492 5.272 375 HE3 TRP 48 HE3 TRP 48 -9.477 0.394 5.353 376 HZ2 TRP 48 HZ2 TRP 48 -6.989 -3.652 6.873 377 HZ3 TRP 48 HZ3 TRP 48 -10.519 -1.254 6.856 378 HH2 TRP 48 HH2 TRP 48 -9.298 -3.234 7.599 379 H GLN 49 H GLN 49 -9.645 2.084 2.213 380 HA GLN 49 HA GLN 49 -11.132 -0.286 2.619 381 HB2 GLN 49 2HB GLN 49 -11.980 1.960 3.179 382 HB3 GLN 49 3HB GLN 49 -12.039 2.366 1.472 383 HG2 GLN 49 2HG GLN 49 -14.248 1.829 2.308 384 HG3 GLN 49 3HG GLN 49 -13.728 0.652 1.103 385 HE21 GLN 49 1HE2 GLN 49 -12.611 0.702 4.426 386 HE22 GLN 49 2HE2 GLN 49 -13.369 -0.779 4.891 387 H GLN 50 H GLN 50 -10.575 1.627 -0.343 388 HA GLN 50 HA GLN 50 -11.935 -0.119 -2.107 389 HB2 GLN 50 2HB GLN 50 -9.725 1.890 -2.611 390 HB3 GLN 50 3HB GLN 50 -10.570 1.030 -3.892 391 HG2 GLN 50 2HG GLN 50 -12.668 2.052 -3.247 392 HG3 GLN 50 3HG GLN 50 -11.893 2.842 -1.878 393 HE21 GLN 50 1HE2 GLN 50 -9.492 3.529 -3.358 394 HE22 GLN 50 2HE2 GLN 50 -9.929 4.809 -4.430 395 H LEU 51 H LEU 51 -8.620 -0.070 -0.910 396 HA LEU 51 HA LEU 51 -7.520 -1.969 -2.685 397 HB2 LEU 51 2HB LEU 51 -6.168 -0.496 -1.250 398 HB3 LEU 51 3HB LEU 51 -6.735 -1.357 0.170 399 HG LEU 51 HG LEU 51 -5.609 -3.407 -0.610 400 HD11 LEU 51 1HD1 LEU 51 -4.630 -1.684 -2.888 401 HD12 LEU 51 2HD1 LEU 51 -5.739 -3.052 -3.006 402 HD13 LEU 51 3HD1 LEU 51 -4.069 -3.315 -2.515 403 HD21 LEU 51 3HD2 LEU 51 -3.307 -2.680 -0.249 404 HD22 LEU 51 1HD2 LEU 51 -4.406 -1.870 0.869 405 HD23 LEU 51 2HD2 LEU 51 -3.776 -1.003 -0.535 406 H LYS 52 H LYS 52 -8.793 -2.437 0.647 407 HA LYS 52 HA LYS 52 -8.483 -5.233 0.658 408 HB2 LYS 52 2HB LYS 52 -9.877 -5.294 2.602 409 HB3 LYS 52 3HB LYS 52 -8.907 -3.831 2.692 410 HG2 LYS 52 2HG LYS 52 -10.865 -2.540 1.866 411 HG3 LYS 52 3HG LYS 52 -11.819 -4.022 1.923 412 HD2 LYS 52 2HD LYS 52 -10.460 -2.689 4.276 413 HD3 LYS 52 3HD LYS 52 -12.187 -2.654 3.920 414 HE2 LYS 52 2HE LYS 52 -10.592 -5.159 4.493 415 HE3 LYS 52 3HE LYS 52 -11.567 -4.296 5.679 416 HZ1 LYS 52 3HZ LYS 52 -12.654 -5.452 3.169 417 HZ2 LYS 52 1HZ LYS 52 -13.535 -4.786 4.447 418 HZ3 LYS 52 2HZ LYS 52 -12.691 -6.236 4.663 419 H ASP 53 H ASP 53 -11.175 -3.205 -0.407 420 HA ASP 53 HA ASP 53 -13.081 -5.137 -0.978 421 HB2 ASP 53 2HB ASP 53 -13.575 -2.771 -1.112 422 HB3 ASP 53 3HB ASP 53 -12.443 -2.565 -2.446 423 H GLU 54 H GLU 54 -10.485 -3.948 -3.145 424 HA GLU 54 HA GLU 54 -11.006 -5.616 -5.334 425 HB2 GLU 54 2HB GLU 54 -8.496 -4.307 -4.310 426 HB3 GLU 54 3HB GLU 54 -8.440 -5.358 -5.718 427 HG2 GLU 54 2HG GLU 54 -10.195 -2.917 -5.486 428 HG3 GLU 54 3HG GLU 54 -8.606 -2.939 -6.252 429 H LEU 55 H LEU 55 -8.781 -6.160 -2.600 430 HA LEU 55 HA LEU 55 -7.863 -8.686 -3.417 431 HB2 LEU 55 2HB LEU 55 -8.091 -7.526 -0.639 432 HB3 LEU 55 3HB LEU 55 -7.165 -8.958 -1.050 433 HG LEU 55 HG LEU 55 -6.619 -6.168 -2.105 434 HD11 LEU 55 1HD1 LEU 55 -6.102 -6.355 0.271 435 HD12 LEU 55 2HD1 LEU 55 -4.629 -6.230 -0.691 436 HD13 LEU 55 3HD1 LEU 55 -5.126 -7.793 -0.042 437 HD21 LEU 55 3HD2 LEU 55 -5.974 -7.875 -3.712 438 HD22 LEU 55 1HD2 LEU 55 -5.090 -8.752 -2.461 439 HD23 LEU 55 2HD2 LEU 55 -4.540 -7.159 -2.979 440 H GLU 56 H GLU 56 -10.677 -7.778 -1.467 441 HA GLU 56 HA GLU 56 -11.413 -10.484 -0.829 442 HB2 GLU 56 2HB GLU 56 -12.993 -7.908 -0.660 443 HB3 GLU 56 3HB GLU 56 -13.528 -9.455 -0.014 444 HG2 GLU 56 2HG GLU 56 -11.630 -9.495 1.515 445 HG3 GLU 56 3HG GLU 56 -11.046 -7.971 0.849 446 H ALA 57 H ALA 57 -12.078 -8.302 -3.471 447 HA ALA 57 HA ALA 57 -14.278 -9.762 -4.577 448 HB1 ALA 57 3HB ALA 57 -12.360 -7.877 -5.958 449 HB2 ALA 57 1HB ALA 57 -13.855 -7.407 -5.146 450 HB3 ALA 57 2HB ALA 57 -13.916 -8.427 -6.584 451 H LYS 58 H LYS 58 -10.788 -9.839 -4.976 452 HA LYS 58 HA LYS 58 -10.835 -11.897 -7.002 453 HB2 LYS 58 2HB LYS 58 -8.516 -10.882 -5.341 454 HB3 LYS 58 3HB LYS 58 -8.407 -11.830 -6.817 455 HG2 LYS 58 2HG LYS 58 -9.261 -10.015 -8.129 456 HG3 LYS 58 3HG LYS 58 -9.615 -9.071 -6.679 457 HD2 LYS 58 2HD LYS 58 -7.192 -9.033 -6.155 458 HD3 LYS 58 3HD LYS 58 -6.873 -9.908 -7.653 459 HE2 LYS 58 2HE LYS 58 -8.124 -7.166 -7.424 460 HE3 LYS 58 3HE LYS 58 -6.466 -7.511 -7.915 461 HZ1 LYS 58 3HZ LYS 58 -8.973 -8.069 -9.378 462 HZ2 LYS 58 1HZ LYS 58 -7.536 -8.880 -9.756 463 HZ3 LYS 58 2HZ LYS 58 -7.616 -7.200 -9.895 464 H HIS 59 H HIS 59 -11.684 -13.798 -6.290 465 HA HIS 59 HA HIS 59 -11.688 -14.544 -3.550 466 HB2 HIS 59 2HB HIS 59 -12.474 -16.194 -5.963 467 HB3 HIS 59 3HB HIS 59 -12.912 -16.532 -4.291 468 HD1 HIS 59 HD1 HIS 59 -14.886 -15.877 -6.763 469 HD2 HIS 59 HD2 HIS 59 -13.834 -13.342 -3.642 470 HE1 HIS 59 HE1 HIS 59 -16.723 -14.177 -6.630 471 HE2 HIS 59 HE2 HIS 59 -15.991 -12.572 -4.837 472 H TRP 60 H TRP 60 -9.423 -15.249 -6.064 473 HA TRP 60 HA TRP 60 -8.529 -17.753 -4.924 474 HB2 TRP 60 2HB TRP 60 -6.803 -17.704 -6.692 475 HB3 TRP 60 3HB TRP 60 -8.425 -17.486 -7.330 476 HD1 TRP 60 HD1 TRP 60 -9.062 -14.971 -8.195 477 HE1 TRP 60 HE1 TRP 60 -7.562 -13.111 -9.143 478 HE3 TRP 60 HE3 TRP 60 -4.527 -16.661 -6.541 479 HZ2 TRP 60 HZ2 TRP 60 -4.820 -12.444 -9.186 480 HZ3 TRP 60 HZ3 TRP 60 -2.514 -15.351 -7.075 481 HH2 TRP 60 HH2 TRP 60 -2.659 -13.284 -8.373 482 H ILE 61 H ILE 61 -8.020 -14.595 -4.030 483 HA ILE 61 HA ILE 61 -5.236 -14.644 -3.384 484 HB ILE 61 HB ILE 61 -7.523 -12.829 -2.697 485 HG12 ILE 61 2HG1 ILE 61 -6.168 -11.148 -3.786 486 HG13 ILE 61 3HG1 ILE 61 -4.776 -12.220 -3.814 487 HG21 ILE 61 1HG2 ILE 61 -4.813 -12.678 -1.367 488 HG22 ILE 61 2HG2 ILE 61 -6.346 -13.038 -0.573 489 HG23 ILE 61 3HG2 ILE 61 -6.073 -11.445 -1.278 490 HD11 ILE 61 3HD1 ILE 61 -7.326 -12.658 -5.339 491 HD12 ILE 61 1HD1 ILE 61 -5.874 -13.653 -5.417 492 HD13 ILE 61 2HD1 ILE 61 -5.836 -11.988 -6.001 493 H ALA 62 H ALA 62 -4.199 -15.361 -1.608 494 HA ALA 62 HA ALA 62 -5.552 -16.864 0.425 495 HB1 ALA 62 3HB ALA 62 -3.303 -17.466 -0.333 496 HB2 ALA 62 1HB ALA 62 -3.317 -17.136 1.400 497 HB3 ALA 62 2HB ALA 62 -2.678 -15.934 0.278 498 H GLU 63 H GLU 63 -6.464 -16.074 2.251 499 HA GLU 63 HA GLU 63 -6.719 -13.328 2.655 500 HB2 GLU 63 2HB GLU 63 -8.360 -14.957 3.473 501 HB3 GLU 63 3HB GLU 63 -7.209 -15.513 4.684 502 HG2 GLU 63 2HG GLU 63 -7.268 -13.424 5.825 503 HG3 GLU 63 3HG GLU 63 -8.170 -12.666 4.515 504 H ALA 64 H ALA 64 -4.678 -15.630 4.475 505 HA ALA 64 HA ALA 64 -3.642 -13.910 6.388 506 HB1 ALA 64 3HB ALA 64 -2.198 -16.160 4.981 507 HB2 ALA 64 1HB ALA 64 -3.241 -16.318 6.394 508 HB3 ALA 64 2HB ALA 64 -1.721 -15.431 6.515 509 H ASP 65 H ASP 65 -2.603 -14.348 3.032 510 HA ASP 65 HA ASP 65 -0.347 -12.596 3.250 511 HB2 ASP 65 2HB ASP 65 -1.759 -13.793 0.859 512 HB3 ASP 65 3HB ASP 65 -0.302 -12.809 0.740 513 H ARG 66 H ARG 66 -3.685 -12.175 1.976 514 HA ARG 66 HA ARG 66 -3.257 -9.510 1.089 515 HB2 ARG 66 2HB ARG 66 -5.611 -9.264 0.890 516 HB3 ARG 66 3HB ARG 66 -5.257 -10.933 0.478 517 HG2 ARG 66 2HG ARG 66 -6.050 -11.681 2.626 518 HG3 ARG 66 3HG ARG 66 -6.270 -10.019 3.166 519 HD2 ARG 66 2HD ARG 66 -7.992 -9.672 1.466 520 HD3 ARG 66 3HD ARG 66 -7.749 -11.312 0.865 521 HE ARG 66 HE ARG 66 -8.741 -12.151 2.850 522 HH11 ARG 66 1HH1 ARG 66 -8.920 -8.727 2.580 523 HH12 ARG 66 2HH1 ARG 66 -10.162 -8.583 3.772 524 HH21 ARG 66 1HH2 ARG 66 -10.323 -11.961 4.401 525 HH22 ARG 66 2HH2 ARG 66 -10.936 -10.393 4.804 526 H ILE 67 H ILE 67 -4.078 -10.862 4.233 527 HA ILE 67 HA ILE 67 -4.607 -8.428 5.573 528 HB ILE 67 HB ILE 67 -3.539 -11.056 6.635 529 HG12 ILE 67 2HG1 ILE 67 -5.782 -11.226 5.696 530 HG13 ILE 67 3HG1 ILE 67 -5.859 -11.360 7.448 531 HG21 ILE 67 1HG2 ILE 67 -4.536 -8.664 8.186 532 HG22 ILE 67 2HG2 ILE 67 -2.892 -9.303 8.180 533 HG23 ILE 67 3HG2 ILE 67 -4.204 -10.255 8.872 534 HD11 ILE 67 3HD1 ILE 67 -6.587 -9.017 7.576 535 HD12 ILE 67 1HD1 ILE 67 -7.679 -10.007 6.608 536 HD13 ILE 67 2HD1 ILE 67 -6.541 -8.919 5.815 537 H ASN 68 H ASN 68 -1.587 -10.221 5.007 538 HA ASN 68 HA ASN 68 0.232 -8.674 6.401 539 HB2 ASN 68 2HB ASN 68 0.928 -10.682 5.253 540 HB3 ASN 68 3HB ASN 68 0.506 -9.996 3.689 541 HD21 ASN 68 1HD2 ASN 68 2.529 -10.208 2.807 542 HD22 ASN 68 2HD2 ASN 68 3.887 -9.275 3.332 543 H VAL 69 H VAL 69 -0.665 -8.179 2.961 544 HA VAL 69 HA VAL 69 0.722 -5.731 2.726 545 HB VAL 69 HB VAL 69 -0.469 -5.388 0.613 546 HG11 VAL 69 1HG1 VAL 69 1.474 -6.852 0.646 547 HG12 VAL 69 2HG1 VAL 69 0.292 -7.424 -0.532 548 HG13 VAL 69 3HG1 VAL 69 0.451 -8.238 1.025 549 HG21 VAL 69 3HG2 VAL 69 -2.124 -7.020 -0.184 550 HG22 VAL 69 1HG2 VAL 69 -2.693 -6.164 1.249 551 HG23 VAL 69 2HG2 VAL 69 -2.096 -7.818 1.390 552 H LEU 70 H LEU 70 -2.613 -6.417 3.688 553 HA LEU 70 HA LEU 70 -3.546 -3.740 3.531 554 HB2 LEU 70 2HB LEU 70 -4.508 -6.133 5.091 555 HB3 LEU 70 3HB LEU 70 -5.318 -4.579 5.170 556 HG LEU 70 HG LEU 70 -4.948 -6.233 2.663 557 HD11 LEU 70 1HD1 LEU 70 -6.538 -7.251 4.210 558 HD12 LEU 70 2HD1 LEU 70 -7.359 -6.600 2.792 559 HD13 LEU 70 3HD1 LEU 70 -7.419 -5.725 4.322 560 HD21 LEU 70 3HD2 LEU 70 -4.978 -3.854 2.159 561 HD22 LEU 70 1HD2 LEU 70 -6.446 -3.648 3.117 562 HD23 LEU 70 2HD2 LEU 70 -6.482 -4.609 1.638 563 H ASN 71 H ASN 71 -2.117 -5.595 6.215 564 HA ASN 71 HA ASN 71 -2.442 -3.581 8.173 565 HB2 ASN 71 2HB ASN 71 -0.439 -5.841 8.008 566 HB3 ASN 71 3HB ASN 71 -0.634 -4.801 9.415 567 HD21 ASN 71 1HD2 ASN 71 -0.975 -7.617 9.322 568 HD22 ASN 71 2HD2 ASN 71 -2.614 -7.944 9.755 569 H GLN 72 H GLN 72 0.442 -4.444 6.223 570 HA GLN 72 HA GLN 72 2.048 -2.323 7.141 571 HB2 GLN 72 2HB GLN 72 3.492 -2.778 5.225 572 HB3 GLN 72 3HB GLN 72 2.978 -4.272 5.991 573 HG2 GLN 72 2HG GLN 72 1.230 -4.488 4.211 574 HG3 GLN 72 3HG GLN 72 1.965 -3.102 3.409 575 HE21 GLN 72 1HE2 GLN 72 3.813 -5.550 5.104 576 HE22 GLN 72 2HE2 GLN 72 4.541 -6.234 3.701 577 H ALA 73 H ALA 73 -0.234 -2.481 4.413 578 HA ALA 73 HA ALA 73 0.219 0.037 3.286 579 HB1 ALA 73 3HB ALA 73 -1.275 -1.625 2.276 580 HB2 ALA 73 1HB ALA 73 -2.086 -0.069 2.464 581 HB3 ALA 73 2HB ALA 73 -2.433 -1.387 3.585 582 H THR 74 H THR 74 -1.998 -0.865 5.923 583 HA THR 74 HA THR 74 -2.994 1.656 6.563 584 HB THR 74 HB THR 74 -2.374 -0.624 8.470 585 HG1 THR 74 HG1 THR 74 -3.884 -1.387 7.096 586 HG21 THR 74 3HG2 THR 74 -4.072 0.400 9.939 587 HG22 THR 74 1HG2 THR 74 -4.202 1.767 8.832 588 HG23 THR 74 2HG2 THR 74 -2.693 1.472 9.696 589 H GLU 75 H GLU 75 -0.083 0.040 7.859 590 HA GLU 75 HA GLU 75 0.735 2.055 9.623 591 HB2 GLU 75 2HB GLU 75 2.466 0.112 8.069 592 HB3 GLU 75 3HB GLU 75 2.978 1.026 9.481 593 HG2 GLU 75 2HG GLU 75 1.308 -0.135 10.843 594 HG3 GLU 75 3HG GLU 75 0.790 -1.049 9.429 595 H VAL 76 H VAL 76 1.609 1.573 6.194 596 HA VAL 76 HA VAL 76 3.333 3.782 5.944 597 HB VAL 76 HB VAL 76 1.593 2.468 3.840 598 HG11 VAL 76 1HG1 VAL 76 2.211 4.703 3.100 599 HG12 VAL 76 2HG1 VAL 76 3.108 3.493 2.186 600 HG13 VAL 76 3HG1 VAL 76 3.905 4.386 3.481 601 HG21 VAL 76 3HG2 VAL 76 3.212 0.952 4.876 602 HG22 VAL 76 1HG2 VAL 76 4.516 2.083 4.512 603 HG23 VAL 76 2HG2 VAL 76 3.645 1.290 3.200 604 H ILE 77 H ILE 77 -0.179 3.537 5.368 605 HA ILE 77 HA ILE 77 -0.645 6.145 4.475 606 HB ILE 77 HB ILE 77 -2.440 4.278 6.039 607 HG12 ILE 77 2HG1 ILE 77 -2.314 4.974 3.089 608 HG13 ILE 77 3HG1 ILE 77 -1.725 3.483 3.812 609 HG21 ILE 77 1HG2 ILE 77 -3.238 6.547 6.370 610 HG22 ILE 77 2HG2 ILE 77 -4.323 5.678 5.286 611 HG23 ILE 77 3HG2 ILE 77 -3.175 6.849 4.634 612 HD11 ILE 77 3HD1 ILE 77 -4.590 4.403 3.685 613 HD12 ILE 77 1HD1 ILE 77 -4.029 2.940 4.498 614 HD13 ILE 77 2HD1 ILE 77 -3.847 3.104 2.753 615 H ASN 78 H ASN 78 -0.806 4.894 7.830 616 HA ASN 78 HA ASN 78 -1.345 7.388 9.050 617 HB2 ASN 78 2HB ASN 78 -0.108 4.854 10.139 618 HB3 ASN 78 3HB ASN 78 -0.411 6.267 11.144 619 HD21 ASN 78 1HD2 ASN 78 -1.833 3.645 9.406 620 HD22 ASN 78 2HD2 ASN 78 -3.429 3.828 10.026 621 H PHE 79 H PHE 79 1.696 5.796 8.202 622 HA PHE 79 HA PHE 79 3.449 7.561 9.543 623 HB2 PHE 79 2HB PHE 79 4.101 5.335 8.647 624 HB3 PHE 79 3HB PHE 79 3.965 5.971 7.012 625 HD1 PHE 79 HD2 PHE 79 5.776 6.471 10.223 626 HD2 PHE 79 HD1 PHE 79 5.818 6.969 5.991 627 HE1 PHE 79 HE2 PHE 79 8.125 7.195 10.331 628 HE2 PHE 79 HE1 PHE 79 8.166 7.691 6.097 629 HZ PHE 79 HZ PHE 79 9.323 7.807 8.271 630 H TRP 80 H TRP 80 2.355 7.527 6.140 631 HA TRP 80 HA TRP 80 3.620 9.860 5.274 632 HB2 TRP 80 2HB TRP 80 2.491 8.260 3.761 633 HB3 TRP 80 3HB TRP 80 0.928 8.763 4.397 634 HD1 TRP 80 HD1 TRP 80 3.739 9.924 2.085 635 HE1 TRP 80 HE1 TRP 80 2.901 11.913 0.692 636 HE3 TRP 80 HE3 TRP 80 -0.741 10.724 4.422 637 HZ2 TRP 80 HZ2 TRP 80 0.649 13.598 0.593 638 HZ3 TRP 80 HZ3 TRP 80 -2.176 12.550 3.612 639 HH2 TRP 80 HH2 TRP 80 -1.492 13.956 1.736 640 H GLN 81 H GLN 81 0.411 9.441 6.763 641 HA GLN 81 HA GLN 81 -0.376 12.137 6.799 642 HB2 GLN 81 2HB GLN 81 -1.880 10.228 7.297 643 HB3 GLN 81 3HB GLN 81 -1.032 9.967 8.815 644 HG2 GLN 81 2HG GLN 81 -1.748 12.198 9.574 645 HG3 GLN 81 3HG GLN 81 -2.631 12.415 8.064 646 HE21 GLN 81 1HE2 GLN 81 -4.605 12.615 9.119 647 HE22 GLN 81 2HE2 GLN 81 -5.394 11.274 9.872 648 H ASP 82 H ASP 82 1.510 10.246 9.136 649 HA ASP 82 HA ASP 82 1.904 12.125 11.150 650 HB2 ASP 82 2HB ASP 82 2.634 9.813 11.371 651 HB3 ASP 82 3HB ASP 82 3.798 10.015 10.067 652 H LEU 83 H LEU 83 3.680 11.658 8.128 653 HA LEU 83 HA LEU 83 5.622 13.683 8.574 654 HB2 LEU 83 2HB LEU 83 4.678 12.628 5.906 655 HB3 LEU 83 3HB LEU 83 6.226 13.374 6.265 656 HG LEU 83 HG LEU 83 5.269 10.678 7.236 657 HD11 LEU 83 1HD1 LEU 83 7.452 11.422 5.296 658 HD12 LEU 83 2HD1 LEU 83 5.899 10.689 4.892 659 HD13 LEU 83 3HD1 LEU 83 7.073 9.791 5.855 660 HD21 LEU 83 3HD2 LEU 83 7.888 12.079 7.777 661 HD22 LEU 83 1HD2 LEU 83 7.500 10.413 8.208 662 HD23 LEU 83 2HD2 LEU 83 6.618 11.745 8.958 663 H LYS 84 H LYS 84 2.551 13.651 6.754 664 HA LYS 84 HA LYS 84 2.738 16.217 5.649 665 HB2 LYS 84 2HB LYS 84 1.080 14.595 4.887 666 HB3 LYS 84 3HB LYS 84 0.258 14.670 6.440 667 HG2 LYS 84 2HG LYS 84 -0.963 15.967 4.820 668 HG3 LYS 84 3HG LYS 84 -0.267 17.048 6.026 669 HD2 LYS 84 2HD LYS 84 0.111 18.113 3.952 670 HD3 LYS 84 3HD LYS 84 1.661 17.391 4.384 671 HE2 LYS 84 2HE LYS 84 1.281 16.966 2.062 672 HE3 LYS 84 3HE LYS 84 1.066 15.441 2.922 673 HZ1 LYS 84 3HZ LYS 84 -0.666 15.815 1.260 674 HZ2 LYS 84 1HZ LYS 84 -1.132 17.239 2.040 675 HZ3 LYS 84 2HZ LYS 84 -1.325 15.750 2.815 676 H ASN 85 H ASN 85 1.170 15.212 8.710 677 HA ASN 85 HA ASN 85 0.306 17.749 9.540 678 HB2 ASN 85 2HB ASN 85 1.057 15.261 11.069 679 HB3 ASN 85 3HB ASN 85 0.604 16.733 11.917 680 HD21 ASN 85 1HD2 ASN 85 -0.517 14.109 9.964 681 HD22 ASN 85 2HD2 ASN 85 -2.202 14.437 10.160 682 H GLN 86 H GLN 86 3.358 16.069 10.261 683 HA GLN 86 HA GLN 86 4.412 18.351 11.698 684 HB2 GLN 86 2HB GLN 86 5.604 15.673 10.968 685 HB3 GLN 86 3HB GLN 86 6.442 16.892 11.923 686 HG2 GLN 86 2HG GLN 86 4.798 16.744 13.667 687 HG3 GLN 86 3HG GLN 86 3.789 15.681 12.689 688 HE21 GLN 86 1HE2 GLN 86 4.417 13.553 12.385 689 HE22 GLN 86 2HE2 GLN 86 5.582 12.786 13.403 690 H ASN 87 H ASN 87 4.089 17.792 8.489 691 HA ASN 87 HA ASN 87 4.975 18.704 6.608 692 HB2 ASN 87 2HB ASN 87 6.156 20.646 8.607 693 HB3 ASN 87 3HB ASN 87 6.104 20.904 6.864 694 HD21 ASN 87 1HD2 ASN 87 4.114 21.315 5.873 695 HD22 ASN 87 2HD2 ASN 87 2.719 21.768 6.777 696 H LYS 88 H LYS 88 6.464 16.570 7.881 697 HA LYS 88 HA LYS 88 9.276 17.061 7.707 698 HB2 LYS 88 2HB LYS 88 7.718 14.462 7.652 699 HB3 LYS 88 3HB LYS 88 9.468 14.570 7.776 700 HG2 LYS 88 2HG LYS 88 9.292 15.666 9.924 701 HG3 LYS 88 3HG LYS 88 7.531 15.711 9.790 702 HD2 LYS 88 2HD LYS 88 7.454 13.270 9.797 703 HD3 LYS 88 3HD LYS 88 9.215 13.197 9.874 704 HE2 LYS 88 2HE LYS 88 9.213 14.174 12.070 705 HE3 LYS 88 3HE LYS 88 7.482 14.499 11.976 706 HZ1 LYS 88 3HZ LYS 88 7.968 12.539 13.312 707 HZ2 LYS 88 1HZ LYS 88 8.721 11.799 11.990 708 HZ3 LYS 88 2HZ LYS 88 7.061 12.126 11.943 709 H GLN 89 H GLN 89 10.032 17.768 5.764 710 HA GLN 89 HA GLN 89 9.074 16.690 3.257 711 HB2 GLN 89 2HB GLN 89 10.730 18.254 2.247 712 HB3 GLN 89 3HB GLN 89 9.605 19.041 3.345 713 HG2 GLN 89 2HG GLN 89 11.304 19.101 5.083 714 HG3 GLN 89 3HG GLN 89 12.429 18.238 4.036 715 HE21 GLN 89 1HE2 GLN 89 10.835 21.266 4.635 716 HE22 GLN 89 2HE2 GLN 89 11.820 22.213 3.580 717 H ILE 90 H ILE 90 9.896 14.482 4.343 718 HA ILE 90 HA ILE 90 12.728 13.993 3.838 719 HB ILE 90 HB ILE 90 12.415 11.809 4.804 720 HG12 ILE 90 2HG1 ILE 90 9.456 12.433 5.044 721 HG13 ILE 90 3HG1 ILE 90 10.145 11.368 3.823 722 HG21 ILE 90 1HG2 ILE 90 11.675 12.436 7.058 723 HG22 ILE 90 2HG2 ILE 90 10.964 13.916 6.414 724 HG23 ILE 90 3HG2 ILE 90 12.710 13.671 6.344 725 HD11 ILE 90 3HD1 ILE 90 10.226 10.957 6.802 726 HD12 ILE 90 1HD1 ILE 90 10.992 9.908 5.608 727 HD13 ILE 90 2HD1 ILE 90 9.236 10.075 5.639 728 H SER 91 H SER 91 13.304 11.879 2.705 729 HA SER 91 HA SER 91 11.960 11.853 0.099 730 HB2 SER 91 2HB SER 91 14.368 12.074 0.029 731 HB3 SER 91 3HB SER 91 14.575 10.639 1.031 732 HG SER 91 HG SER 91 14.724 10.566 -1.456 733 H MET 92 H MET 92 11.486 9.849 -1.006 734 HA MET 92 HA MET 92 10.058 7.963 0.533 735 HB2 MET 92 2HB MET 92 9.988 6.629 -1.614 736 HB3 MET 92 3HB MET 92 9.380 8.273 -1.725 737 HG2 MET 92 2HG MET 92 10.675 7.811 -3.675 738 HG3 MET 92 3HG MET 92 11.562 8.965 -2.684 739 HE1 MET 92 3HE MET 92 11.197 5.033 -2.271 740 HE2 MET 92 1HE MET 92 12.645 4.493 -3.120 741 HE3 MET 92 2HE MET 92 11.348 5.292 -4.009 742 H ALA 93 H ALA 93 13.404 8.092 -0.439 743 HA ALA 93 HA ALA 93 14.121 5.401 0.045 744 HB1 ALA 93 3HB ALA 93 15.807 7.887 0.382 745 HB2 ALA 93 1HB ALA 93 15.585 6.985 -1.118 746 HB3 ALA 93 2HB ALA 93 16.410 6.233 0.247 747 H GLU 94 H GLU 94 13.786 8.181 2.200 748 HA GLU 94 HA GLU 94 14.758 6.897 4.547 749 HB2 GLU 94 2HB GLU 94 12.883 9.261 4.243 750 HB3 GLU 94 3HB GLU 94 13.645 8.765 5.750 751 HG2 GLU 94 2HG GLU 94 15.852 9.178 4.781 752 HG3 GLU 94 3HG GLU 94 15.096 9.660 3.265 753 H ALA 95 H ALA 95 11.598 7.124 3.016 754 HA ALA 95 HA ALA 95 10.116 5.782 5.026 755 HB1 ALA 95 3HB ALA 95 9.047 7.052 3.226 756 HB2 ALA 95 1HB ALA 95 8.448 5.394 3.283 757 HB3 ALA 95 2HB ALA 95 9.614 5.869 2.048 758 H GLN 96 H GLN 96 12.103 4.645 2.341 759 HA GLN 96 HA GLN 96 11.550 1.880 2.542 760 HB2 GLN 96 2HB GLN 96 13.981 3.397 1.588 761 HB3 GLN 96 3HB GLN 96 13.896 1.644 1.539 762 HG2 GLN 96 2HG GLN 96 11.930 3.475 0.173 763 HG3 GLN 96 3HG GLN 96 13.337 2.751 -0.610 764 HE21 GLN 96 1HE2 GLN 96 10.231 2.121 0.818 765 HE22 GLN 96 2HE2 GLN 96 10.032 0.536 0.169 766 H GLY 97 H GLY 97 13.913 3.936 4.201 767 HA2 GLY 97 2HA GLY 97 15.262 1.962 5.665 768 HA3 GLY 97 3HA GLY 97 15.078 3.637 6.157 769 H LYS 98 H LYS 98 12.138 3.472 6.256 770 HA LYS 98 HA LYS 98 11.915 2.304 8.908 771 HB2 LYS 98 2HB LYS 98 10.924 4.583 8.021 772 HB3 LYS 98 3HB LYS 98 9.599 3.571 7.471 773 HG2 LYS 98 2HG LYS 98 10.569 3.696 10.328 774 HG3 LYS 98 3HG LYS 98 9.229 4.645 9.690 775 HD2 LYS 98 2HD LYS 98 7.943 2.665 9.255 776 HD3 LYS 98 3HD LYS 98 9.319 1.624 9.620 777 HE2 LYS 98 2HE LYS 98 7.906 3.425 11.596 778 HE3 LYS 98 3HE LYS 98 7.687 1.679 11.461 779 HZ1 LYS 98 3HZ LYS 98 10.192 3.092 12.204 780 HZ2 LYS 98 1HZ LYS 98 10.070 1.423 11.953 781 HZ3 LYS 98 2HZ LYS 98 9.223 2.150 13.219 782 H PHE 99 H PHE 99 10.316 1.897 5.738 783 HA PHE 99 HA PHE 99 9.302 -0.729 6.645 784 HB2 PHE 99 2HB PHE 99 8.151 1.072 4.499 785 HB3 PHE 99 3HB PHE 99 7.512 -0.499 4.971 786 HD1 PHE 99 HD2 PHE 99 6.642 -0.775 7.349 787 HD2 PHE 99 HD1 PHE 99 7.484 3.025 5.604 788 HE1 PHE 99 HE2 PHE 99 5.208 0.314 9.026 789 HE2 PHE 99 HE1 PHE 99 6.048 4.112 7.277 790 HZ PHE 99 HZ PHE 99 4.907 2.758 8.990 791 HA PRO 100 HA PRO 100 12.483 -1.570 3.318 792 HB2 PRO 100 2HB PRO 100 13.300 -3.952 4.407 793 HB3 PRO 100 3HB PRO 100 13.995 -2.387 4.842 794 HG2 PRO 100 2HG PRO 100 11.885 -3.980 6.264 795 HG3 PRO 100 3HG PRO 100 13.294 -3.138 6.940 796 HD2 PRO 100 2HD PRO 100 10.839 -2.060 7.047 797 HD3 PRO 100 3HD PRO 100 12.278 -1.050 6.783 798 H GLU 101 H GLU 101 9.884 -3.445 4.703 799 HA GLU 101 HA GLU 101 9.825 -5.529 2.755 800 HB2 GLU 101 2HB GLU 101 7.661 -4.539 4.627 801 HB3 GLU 101 3HB GLU 101 7.617 -6.056 3.735 802 HG2 GLU 101 2HG GLU 101 9.489 -6.908 4.982 803 HG3 GLU 101 3HG GLU 101 9.722 -5.349 5.774 804 H VAL 102 H VAL 102 8.429 -2.320 2.909 805 HA VAL 102 HA VAL 102 6.545 -2.868 0.739 806 HB VAL 102 HB VAL 102 7.031 -0.280 2.241 807 HG11 VAL 102 1HG1 VAL 102 4.730 -1.118 0.464 808 HG12 VAL 102 2HG1 VAL 102 5.983 0.055 0.054 809 HG13 VAL 102 3HG1 VAL 102 4.849 0.399 1.360 810 HG21 VAL 102 3HG2 VAL 102 6.280 -2.035 3.762 811 HG22 VAL 102 1HG2 VAL 102 4.923 -2.401 2.695 812 HG23 VAL 102 2HG2 VAL 102 5.005 -0.841 3.515 813 H VAL 103 H VAL 103 6.592 -1.820 -1.285 814 HA VAL 103 HA VAL 103 9.255 -0.844 -2.092 815 HB VAL 103 HB VAL 103 6.966 -1.830 -3.818 816 HG11 VAL 103 1HG1 VAL 103 9.814 -1.137 -4.560 817 HG12 VAL 103 2HG1 VAL 103 8.369 -0.231 -5.011 818 HG13 VAL 103 3HG1 VAL 103 8.620 -1.860 -5.639 819 HG21 VAL 103 3HG2 VAL 103 8.334 -3.836 -4.157 820 HG22 VAL 103 1HG2 VAL 103 7.927 -3.619 -2.455 821 HG23 VAL 103 2HG2 VAL 103 9.541 -3.207 -3.034 822 H PHE 104 H PHE 104 9.326 1.351 -1.844 823 HA PHE 104 HA PHE 104 7.021 2.987 -2.582 824 HB2 PHE 104 2HB PHE 104 9.653 3.605 -1.243 825 HB3 PHE 104 3HB PHE 104 8.579 4.883 -1.798 826 HD1 PHE 104 HD1 PHE 104 8.528 1.798 0.315 827 HD2 PHE 104 HD2 PHE 104 6.993 5.716 -0.338 828 HE1 PHE 104 HE1 PHE 104 7.276 1.658 2.427 829 HE2 PHE 104 HE2 PHE 104 5.741 5.580 1.773 830 HZ PHE 104 HZ PHE 104 5.882 3.548 3.162 831 H SER 105 H SER 105 6.839 4.174 -4.382 832 HA SER 105 HA SER 105 9.064 4.212 -6.316 833 HB2 SER 105 2HB SER 105 6.951 3.260 -7.161 834 HB3 SER 105 3HB SER 105 6.102 4.744 -6.737 835 HG SER 105 HG SER 105 7.576 5.819 -8.239 836 H GLY 106 H GLY 106 9.968 6.124 -6.986 837 HA2 GLY 106 2HA GLY 106 8.790 8.613 -5.870 838 HA3 GLY 106 3HA GLY 106 10.517 8.297 -5.851 839 H SER 107 H SER 107 10.606 10.409 -6.939 840 HA SER 107 HA SER 107 9.559 10.657 -9.612 841 HB2 SER 107 2HB SER 107 11.481 12.392 -8.036 842 HB3 SER 107 3HB SER 107 10.894 12.792 -9.651 843 HG SER 107 HG SER 107 8.955 12.142 -7.759 844 H ASN 108 H ASN 108 10.385 9.402 -11.154 845 HA ASN 108 HA ASN 108 13.316 9.402 -11.548 846 HB2 ASN 108 2HB ASN 108 13.154 7.114 -12.408 847 HB3 ASN 108 3HB ASN 108 12.542 7.197 -10.759 848 HD21 ASN 108 1HD2 ASN 108 11.975 5.178 -12.673 849 HD22 ASN 108 2HD2 ASN 108 10.276 5.213 -12.968 850 H LEU 109 H LEU 109 13.538 8.314 -14.006 851 HA LEU 109 HA LEU 109 12.522 10.294 -15.769 852 HB2 LEU 109 2HB LEU 109 13.406 8.662 -17.567 853 HB3 LEU 109 3HB LEU 109 14.539 9.452 -16.493 854 HG LEU 109 HG LEU 109 14.664 7.366 -15.135 855 HD11 LEU 109 1HD1 LEU 109 12.952 6.208 -17.333 856 HD12 LEU 109 2HD1 LEU 109 12.535 6.357 -15.625 857 HD13 LEU 109 3HD1 LEU 109 13.825 5.265 -16.124 858 HD21 LEU 109 3HD2 LEU 109 16.012 6.103 -16.748 859 HD22 LEU 109 1HD2 LEU 109 16.338 7.836 -16.834 860 HD23 LEU 109 2HD2 LEU 109 15.335 7.064 -18.063 861 H GLU 110 H GLU 110 11.099 9.992 -17.605 862 HA GLU 110 HA GLU 110 8.747 8.511 -16.785 863 HB2 GLU 110 2HB GLU 110 9.188 10.394 -19.110 864 HB3 GLU 110 3HB GLU 110 7.640 9.684 -18.668 865 HG2 GLU 110 2HG GLU 110 7.822 10.782 -16.447 866 HG3 GLU 110 3HG GLU 110 9.296 11.573 -17.001 867 H HIS 111 H HIS 111 7.424 7.375 -18.508 868 HA HIS 111 HA HIS 111 9.132 5.689 -20.195 869 HB2 HIS 111 2HB HIS 111 7.806 3.676 -19.195 870 HB3 HIS 111 3HB HIS 111 9.164 4.345 -18.297 871 HD1 HIS 111 HD1 HIS 111 5.570 3.640 -18.019 872 HD2 HIS 111 HD2 HIS 111 8.373 6.014 -16.072 873 HE1 HIS 111 HE1 HIS 111 4.493 4.314 -15.850 874 HE2 HIS 111 HE2 HIS 111 6.273 5.603 -14.621 875 H HIS 112 H HIS 112 7.778 4.064 -21.469 876 HA HIS 112 HA HIS 112 6.093 5.660 -23.124 877 HB2 HIS 112 2HB HIS 112 6.636 2.685 -23.255 878 HB3 HIS 112 3HB HIS 112 5.966 3.677 -24.548 879 HD1 HIS 112 HD1 HIS 112 9.133 2.527 -23.120 880 HD2 HIS 112 HD2 HIS 112 7.874 5.630 -25.584 881 HE1 HIS 112 HE1 HIS 112 11.212 3.410 -24.208 882 HE2 HIS 112 HE2 HIS 112 10.446 5.394 -25.538 883 H HIS 113 H HIS 113 3.920 5.466 -23.629 884 HA HIS 113 HA HIS 113 2.265 4.097 -21.601 885 HB2 HIS 113 2HB HIS 113 1.626 6.521 -23.300 886 HB3 HIS 113 3HB HIS 113 0.536 5.781 -22.131 887 HD1 HIS 113 HD1 HIS 113 3.540 7.993 -22.382 888 HD2 HIS 113 HD2 HIS 113 1.141 6.302 -19.435 889 HE1 HIS 113 HE1 HIS 113 4.147 9.170 -20.254 890 HE2 HIS 113 HE2 HIS 113 2.551 8.273 -18.541 891 H HIS 114 H HIS 114 1.396 2.260 -22.345 892 HA HIS 114 HA HIS 114 -0.215 2.372 -24.765 893 HB2 HIS 114 2HB HIS 114 0.691 0.008 -25.389 894 HB3 HIS 114 3HB HIS 114 1.597 1.437 -25.860 895 HD1 HIS 114 HD1 HIS 114 3.988 1.442 -25.271 896 HD2 HIS 114 HD2 HIS 114 1.838 -1.263 -22.964 897 HE1 HIS 114 HE1 HIS 114 5.698 0.206 -23.916 898 HE2 HIS 114 HE2 HIS 114 4.392 -1.584 -22.735 899 H HIS 115 H HIS 115 -2.111 1.407 -24.530 900 HA HIS 115 HA HIS 115 -2.722 0.184 -21.960 901 HB2 HIS 115 2HB HIS 115 -4.161 1.968 -22.720 902 HB3 HIS 115 3HB HIS 115 -4.449 1.150 -24.248 903 HD1 HIS 115 HD1 HIS 115 -6.469 -0.291 -24.364 904 HD2 HIS 115 HD2 HIS 115 -5.382 0.560 -20.444 905 HE1 HIS 115 HE1 HIS 115 -8.314 -1.217 -22.941 906 HE2 HIS 115 HE2 HIS 115 -7.583 -0.797 -20.571 907 H HIS 116 H HIS 116 -3.816 -1.816 -21.700 908 HA HIS 116 HA HIS 116 -3.400 -3.748 -23.874 909 HB2 HIS 116 2HB HIS 116 -4.032 -4.135 -20.937 910 HB3 HIS 116 3HB HIS 116 -3.916 -5.456 -22.095 911 HD1 HIS 116 HD1 HIS 116 -1.672 -6.477 -22.301 912 HD2 HIS 116 HD2 HIS 116 -1.469 -2.624 -20.770 913 HE1 HIS 116 HE1 HIS 116 0.744 -6.105 -21.745 914 HE2 HIS 116 HE2 HIS 116 0.789 -3.869 -20.600 Start of MODEL 11 1 H1 MET 1 1H MET 1 -16.908 -29.207 3.724 2 H2 MET 1 2H MET 1 -15.839 -28.339 2.744 3 H3 MET 1 3H MET 1 -15.296 -29.011 4.196 4 HA MET 1 HA MET 1 -15.668 -31.226 3.376 5 HB2 MET 1 2HB MET 1 -16.223 -31.552 0.966 6 HB3 MET 1 3HB MET 1 -17.529 -30.841 1.902 7 HG2 MET 1 2HG MET 1 -16.944 -28.628 1.022 8 HG3 MET 1 3HG MET 1 -15.650 -29.358 0.072 9 HE1 MET 1 3HE MET 1 -17.019 -32.095 -0.917 10 HE2 MET 1 1HE MET 1 -16.032 -31.025 -1.914 11 HE3 MET 1 2HE MET 1 -17.615 -31.552 -2.485 12 H ALA 2 H ALA 2 -14.344 -28.571 1.364 13 HA ALA 2 HA ALA 2 -11.668 -29.569 1.644 14 HB1 ALA 2 3HB ALA 2 -11.244 -30.079 -0.708 15 HB2 ALA 2 1HB ALA 2 -12.940 -29.771 -1.091 16 HB3 ALA 2 2HB ALA 2 -12.502 -31.132 -0.058 17 H ALA 3 H ALA 3 -10.174 -28.320 0.017 18 HA ALA 3 HA ALA 3 -11.082 -25.762 -0.926 19 HB1 ALA 3 3HB ALA 3 -10.911 -25.306 1.498 20 HB2 ALA 3 1HB ALA 3 -9.744 -24.368 0.562 21 HB3 ALA 3 2HB ALA 3 -9.218 -25.793 1.458 22 H SER 4 H SER 4 -8.816 -24.383 -1.330 23 HA SER 4 HA SER 4 -6.694 -26.224 -2.178 24 HB2 SER 4 2HB SER 4 -6.569 -25.286 -4.432 25 HB3 SER 4 3HB SER 4 -8.175 -25.956 -4.154 26 HG SER 4 HG SER 4 -8.647 -24.024 -4.969 27 H THR 5 H THR 5 -4.647 -25.308 -2.325 28 HA THR 5 HA THR 5 -4.395 -22.597 -1.183 29 HB THR 5 HB THR 5 -2.425 -24.902 -1.172 30 HG1 THR 5 HG1 THR 5 -2.924 -25.045 0.951 31 HG21 THR 5 3HG2 THR 5 -0.966 -23.449 0.171 32 HG22 THR 5 1HG2 THR 5 -2.085 -22.105 -0.066 33 HG23 THR 5 2HG2 THR 5 -1.217 -22.783 -1.443 34 H VAL 6 H VAL 6 -4.027 -21.077 -2.651 35 HA VAL 6 HA VAL 6 -2.910 -21.568 -5.233 36 HB VAL 6 HB VAL 6 -4.528 -19.761 -4.846 37 HG11 VAL 6 1HG1 VAL 6 -3.865 -17.691 -3.705 38 HG12 VAL 6 2HG1 VAL 6 -2.323 -18.427 -3.265 39 HG13 VAL 6 3HG1 VAL 6 -3.827 -19.074 -2.611 40 HG21 VAL 6 3HG2 VAL 6 -3.410 -18.005 -6.144 41 HG22 VAL 6 1HG2 VAL 6 -3.024 -19.607 -6.773 42 HG23 VAL 6 2HG2 VAL 6 -1.843 -18.736 -5.795 43 H HIS 7 H HIS 7 -0.853 -21.232 -6.004 44 HA HIS 7 HA HIS 7 1.249 -20.705 -4.022 45 HB2 HIS 7 2HB HIS 7 1.476 -21.735 -6.865 46 HB3 HIS 7 3HB HIS 7 2.811 -21.560 -5.730 47 HD1 HIS 7 HD1 HIS 7 0.415 -23.981 -6.915 48 HD2 HIS 7 HD2 HIS 7 2.417 -23.293 -3.336 49 HE1 HIS 7 HE1 HIS 7 0.262 -26.130 -5.631 50 HE2 HIS 7 HE2 HIS 7 1.373 -25.657 -3.431 51 H THR 8 H THR 8 0.799 -18.418 -3.896 52 HA THR 8 HA THR 8 2.171 -16.826 -5.889 53 HB THR 8 HB THR 8 -0.813 -16.416 -5.477 54 HG1 THR 8 HG1 THR 8 0.628 -17.771 -7.334 55 HG21 THR 8 3HG2 THR 8 1.159 -14.776 -7.090 56 HG22 THR 8 1HG2 THR 8 0.352 -14.259 -5.610 57 HG23 THR 8 2HG2 THR 8 -0.591 -14.553 -7.072 58 H SER 9 H SER 9 3.234 -15.256 -4.842 59 HA SER 9 HA SER 9 2.333 -14.421 -2.170 60 HB2 SER 9 2HB SER 9 4.702 -15.089 -2.411 61 HB3 SER 9 3HB SER 9 4.937 -13.807 -3.600 62 HG SER 9 HG SER 9 4.512 -13.621 -0.822 63 H PHE 10 H PHE 10 3.109 -11.872 -1.851 64 HA PHE 10 HA PHE 10 1.871 -10.340 -4.031 65 HB2 PHE 10 2HB PHE 10 0.939 -10.205 -1.150 66 HB3 PHE 10 3HB PHE 10 0.376 -9.166 -2.455 67 HD1 PHE 10 HD1 PHE 10 -0.956 -10.143 -4.324 68 HD2 PHE 10 HD2 PHE 10 0.061 -12.396 -0.850 69 HE1 PHE 10 HE1 PHE 10 -2.696 -11.790 -4.887 70 HE2 PHE 10 HE2 PHE 10 -1.674 -14.048 -1.411 71 HZ PHE 10 HZ PHE 10 -3.052 -13.749 -3.433 72 H ILE 11 H ILE 11 2.601 -8.281 -4.280 73 HA ILE 11 HA ILE 11 4.624 -7.300 -2.352 74 HB ILE 11 HB ILE 11 4.496 -6.780 -5.338 75 HG12 ILE 11 2HG1 ILE 11 6.415 -8.483 -3.717 76 HG13 ILE 11 3HG1 ILE 11 5.210 -9.068 -4.859 77 HG21 ILE 11 1HG2 ILE 11 6.556 -5.914 -3.303 78 HG22 ILE 11 2HG2 ILE 11 5.399 -4.871 -4.127 79 HG23 ILE 11 3HG2 ILE 11 6.668 -5.674 -5.050 80 HD11 ILE 11 3HD1 ILE 11 7.613 -7.387 -5.540 81 HD12 ILE 11 1HD1 ILE 11 6.400 -7.963 -6.685 82 HD13 ILE 11 2HD1 ILE 11 7.425 -9.116 -5.830 83 H LEU 12 H LEU 12 4.544 -5.128 -1.752 84 HA LEU 12 HA LEU 12 2.136 -3.644 -2.582 85 HB2 LEU 12 2HB LEU 12 2.346 -4.093 -0.177 86 HB3 LEU 12 3HB LEU 12 3.905 -3.293 -0.154 87 HG LEU 12 HG LEU 12 2.789 -1.157 -0.774 88 HD11 LEU 12 1HD1 LEU 12 0.352 -0.978 -0.600 89 HD12 LEU 12 2HD1 LEU 12 0.237 -2.727 -0.403 90 HD13 LEU 12 3HD1 LEU 12 0.834 -2.047 -1.916 91 HD21 LEU 12 3HD2 LEU 12 3.267 -1.650 1.563 92 HD22 LEU 12 1HD2 LEU 12 1.721 -2.486 1.720 93 HD23 LEU 12 2HD2 LEU 12 1.760 -0.749 1.412 94 H LYS 13 H LYS 13 2.581 -2.288 -4.236 95 HA LYS 13 HA LYS 13 5.082 -0.740 -4.179 96 HB2 LYS 13 2HB LYS 13 3.085 -1.225 -6.391 97 HB3 LYS 13 3HB LYS 13 4.347 -0.008 -6.510 98 HG2 LYS 13 2HG LYS 13 5.958 -1.971 -5.965 99 HG3 LYS 13 3HG LYS 13 4.594 -2.988 -6.438 100 HD2 LYS 13 2HD LYS 13 5.454 -0.764 -8.256 101 HD3 LYS 13 3HD LYS 13 6.410 -2.242 -8.202 102 HE2 LYS 13 2HE LYS 13 4.679 -2.190 -10.004 103 HE3 LYS 13 3HE LYS 13 4.551 -3.566 -8.911 104 HZ1 LYS 13 3HZ LYS 13 2.889 -1.105 -8.786 105 HZ2 LYS 13 1HZ LYS 13 2.766 -2.442 -7.752 106 HZ3 LYS 13 2HZ LYS 13 2.395 -2.609 -9.388 107 H VAL 14 H VAL 14 5.030 1.204 -3.306 108 HA VAL 14 HA VAL 14 2.503 2.726 -3.290 109 HB VAL 14 HB VAL 14 4.918 3.035 -1.491 110 HG11 VAL 14 1HG1 VAL 14 2.232 4.419 -1.390 111 HG12 VAL 14 2HG1 VAL 14 3.764 5.162 -1.849 112 HG13 VAL 14 3HG1 VAL 14 3.525 4.585 -0.200 113 HG21 VAL 14 3HG2 VAL 14 2.184 1.890 -0.902 114 HG22 VAL 14 1HG2 VAL 14 3.477 2.131 0.274 115 HG23 VAL 14 2HG2 VAL 14 3.684 0.972 -1.040 116 H LEU 15 H LEU 15 2.436 4.187 -4.891 117 HA LEU 15 HA LEU 15 4.840 5.364 -6.006 118 HB2 LEU 15 2HB LEU 15 2.602 4.681 -7.203 119 HB3 LEU 15 3HB LEU 15 2.041 6.250 -6.670 120 HG LEU 15 HG LEU 15 4.453 5.793 -8.447 121 HD11 LEU 15 1HD1 LEU 15 1.673 6.736 -9.153 122 HD12 LEU 15 2HD1 LEU 15 2.391 5.185 -9.590 123 HD13 LEU 15 3HD1 LEU 15 3.053 6.679 -10.251 124 HD21 LEU 15 3HD2 LEU 15 4.412 8.192 -8.819 125 HD22 LEU 15 1HD2 LEU 15 4.597 7.849 -7.099 126 HD23 LEU 15 2HD2 LEU 15 3.033 8.362 -7.733 127 H TRP 16 H TRP 16 5.791 7.096 -5.097 128 HA TRP 16 HA TRP 16 4.277 8.705 -3.172 129 HB2 TRP 16 2HB TRP 16 6.546 7.637 -2.639 130 HB3 TRP 16 3HB TRP 16 7.253 8.860 -3.689 131 HD1 TRP 16 HD1 TRP 16 7.141 11.435 -2.812 132 HE1 TRP 16 HE1 TRP 16 6.911 12.396 -0.436 133 HE3 TRP 16 HE3 TRP 16 5.492 7.243 -0.394 134 HZ2 TRP 16 HZ2 TRP 16 6.131 11.499 2.126 135 HZ3 TRP 16 HZ3 TRP 16 5.026 7.378 2.017 136 HH2 TRP 16 HH2 TRP 16 5.339 9.462 3.249 137 H LEU 17 H LEU 17 3.702 10.766 -3.529 138 HA LEU 17 HA LEU 17 4.832 12.186 -5.864 139 HB2 LEU 17 2HB LEU 17 1.962 12.144 -4.918 140 HB3 LEU 17 3HB LEU 17 2.579 13.235 -6.144 141 HG LEU 17 HG LEU 17 2.537 10.220 -6.381 142 HD11 LEU 17 1HD1 LEU 17 0.750 12.308 -7.628 143 HD12 LEU 17 2HD1 LEU 17 0.285 11.131 -6.400 144 HD13 LEU 17 3HD1 LEU 17 0.741 10.585 -8.013 145 HD21 LEU 17 3HD2 LEU 17 4.359 11.272 -7.644 146 HD22 LEU 17 1HD2 LEU 17 3.199 12.349 -8.423 147 HD23 LEU 17 2HD2 LEU 17 3.126 10.611 -8.717 148 H ASP 18 H ASP 18 4.437 14.593 -5.749 149 HA ASP 18 HA ASP 18 5.549 15.689 -3.426 150 HB2 ASP 18 2HB ASP 18 3.897 17.146 -5.504 151 HB3 ASP 18 3HB ASP 18 5.105 17.853 -4.431 152 H GLN 19 H GLN 19 4.525 15.334 -1.532 153 HA GLN 19 HA GLN 19 3.049 15.486 0.173 154 HB2 GLN 19 2HB GLN 19 1.822 17.678 -1.518 155 HB3 GLN 19 3HB GLN 19 1.404 17.355 0.161 156 HG2 GLN 19 2HG GLN 19 3.811 17.762 0.745 157 HG3 GLN 19 3HG GLN 19 4.061 18.289 -0.917 158 HE21 GLN 19 1HE2 GLN 19 3.141 20.243 -1.592 159 HE22 GLN 19 2HE2 GLN 19 2.564 21.416 -0.468 160 H ASN 20 H ASN 20 2.471 13.794 -2.271 161 HA ASN 20 HA ASN 20 -0.230 12.992 -1.417 162 HB2 ASN 20 2HB ASN 20 0.642 13.661 -4.181 163 HB3 ASN 20 3HB ASN 20 -0.311 12.195 -4.016 164 HD21 ASN 20 1HD2 ASN 20 -0.665 15.129 -2.086 165 HD22 ASN 20 2HD2 ASN 20 -2.244 15.506 -2.652 166 H VAL 21 H VAL 21 -0.702 10.673 -2.056 167 HA VAL 21 HA VAL 21 1.641 8.988 -2.472 168 HB VAL 21 HB VAL 21 1.737 9.307 -0.079 169 HG11 VAL 21 1HG1 VAL 21 -1.134 8.384 0.006 170 HG12 VAL 21 2HG1 VAL 21 -0.559 10.025 0.301 171 HG13 VAL 21 3HG1 VAL 21 -0.115 8.724 1.406 172 HG21 VAL 21 3HG2 VAL 21 1.517 7.007 0.727 173 HG22 VAL 21 1HG2 VAL 21 2.257 7.054 -0.875 174 HG23 VAL 21 2HG2 VAL 21 0.562 6.594 -0.698 175 H ALA 22 H ALA 22 1.155 7.050 -3.423 176 HA ALA 22 HA ALA 22 -1.679 6.226 -3.570 177 HB1 ALA 22 3HB ALA 22 -1.373 5.621 -5.923 178 HB2 ALA 22 1HB ALA 22 0.277 6.241 -5.870 179 HB3 ALA 22 2HB ALA 22 -1.085 7.342 -5.662 180 H ILE 23 H ILE 23 -2.067 4.029 -3.422 181 HA ILE 23 HA ILE 23 0.311 2.302 -3.032 182 HB ILE 23 HB ILE 23 -1.012 0.985 -1.414 183 HG12 ILE 23 2HG1 ILE 23 -3.061 3.206 -1.716 184 HG13 ILE 23 3HG1 ILE 23 -3.270 1.538 -2.239 185 HG21 ILE 23 1HG2 ILE 23 0.502 2.721 -0.616 186 HG22 ILE 23 2HG2 ILE 23 -0.911 2.601 0.431 187 HG23 ILE 23 3HG2 ILE 23 -0.786 3.921 -0.732 188 HD11 ILE 23 3HD1 ILE 23 -3.141 0.795 0.083 189 HD12 ILE 23 1HD1 ILE 23 -4.437 1.966 -0.159 190 HD13 ILE 23 2HD1 ILE 23 -2.930 2.468 0.605 191 H ALA 24 H ALA 24 0.305 0.226 -3.830 192 HA ALA 24 HA ALA 24 -2.073 -0.877 -5.112 193 HB1 ALA 24 3HB ALA 24 -0.966 0.458 -6.880 194 HB2 ALA 24 1HB ALA 24 -0.995 -1.269 -7.243 195 HB3 ALA 24 2HB ALA 24 0.492 -0.515 -6.666 196 H VAL 25 H VAL 25 -2.003 -3.135 -5.361 197 HA VAL 25 HA VAL 25 0.343 -4.503 -4.187 198 HB VAL 25 HB VAL 25 -2.556 -5.395 -4.148 199 HG11 VAL 25 1HG1 VAL 25 -1.065 -7.316 -4.384 200 HG12 VAL 25 2HG1 VAL 25 -1.780 -7.276 -2.773 201 HG13 VAL 25 3HG1 VAL 25 -0.109 -6.761 -3.007 202 HG21 VAL 25 3HG2 VAL 25 -2.059 -3.584 -2.563 203 HG22 VAL 25 1HG2 VAL 25 -0.736 -4.538 -1.888 204 HG23 VAL 25 2HG2 VAL 25 -2.401 -5.098 -1.726 205 H ASP 26 H ASP 26 1.321 -6.089 -5.315 206 HA ASP 26 HA ASP 26 0.186 -6.876 -7.929 207 HB2 ASP 26 2HB ASP 26 3.117 -6.675 -7.179 208 HB3 ASP 26 3HB ASP 26 2.460 -7.011 -8.781 209 H GLN 27 H GLN 27 0.888 -9.046 -8.702 210 HA GLN 27 HA GLN 27 1.016 -10.930 -6.431 211 HB2 GLN 27 2HB GLN 27 -0.071 -12.564 -7.899 212 HB3 GLN 27 3HB GLN 27 -1.031 -11.097 -7.763 213 HG2 GLN 27 2HG GLN 27 -0.141 -10.352 -9.947 214 HG3 GLN 27 3HG GLN 27 0.727 -11.880 -10.088 215 HE21 GLN 27 1HE2 GLN 27 -0.460 -13.781 -10.456 216 HE22 GLN 27 2HE2 GLN 27 -2.091 -13.737 -11.019 217 H ILE 28 H ILE 28 2.643 -12.367 -6.259 218 HA ILE 28 HA ILE 28 4.747 -12.379 -8.299 219 HB ILE 28 HB ILE 28 4.723 -13.668 -5.555 220 HG12 ILE 28 2HG1 ILE 28 6.065 -11.127 -6.531 221 HG13 ILE 28 3HG1 ILE 28 4.688 -11.214 -5.437 222 HG21 ILE 28 1HG2 ILE 28 7.130 -13.987 -5.890 223 HG22 ILE 28 2HG2 ILE 28 7.001 -13.316 -7.516 224 HG23 ILE 28 3HG2 ILE 28 6.200 -14.838 -7.122 225 HD11 ILE 28 3HD1 ILE 28 6.077 -12.326 -3.770 226 HD12 ILE 28 1HD1 ILE 28 6.753 -10.767 -4.240 227 HD13 ILE 28 2HD1 ILE 28 7.455 -12.257 -4.867 228 H VAL 29 H VAL 29 4.409 -13.753 -9.906 229 HA VAL 29 HA VAL 29 3.048 -16.317 -9.440 230 HB VAL 29 HB VAL 29 3.797 -15.047 -12.091 231 HG11 VAL 29 1HG1 VAL 29 2.078 -16.526 -13.022 232 HG12 VAL 29 2HG1 VAL 29 1.802 -17.215 -11.421 233 HG13 VAL 29 3HG1 VAL 29 3.357 -17.443 -12.225 234 HG21 VAL 29 3HG2 VAL 29 1.196 -14.832 -10.564 235 HG22 VAL 29 1HG2 VAL 29 1.450 -14.283 -12.221 236 HG23 VAL 29 2HG2 VAL 29 2.330 -13.522 -10.896 237 H GLY 30 H GLY 30 3.938 -18.277 -10.544 238 HA2 GLY 30 2HA GLY 30 6.662 -18.757 -10.059 239 HA3 GLY 30 3HA GLY 30 5.618 -19.762 -11.049 240 H LYS 31 H LYS 31 5.429 -16.859 -12.506 241 HA LYS 31 HA LYS 31 7.782 -17.311 -14.234 242 HB2 LYS 31 2HB LYS 31 5.128 -16.002 -14.895 243 HB3 LYS 31 3HB LYS 31 6.479 -16.174 -16.009 244 HG2 LYS 31 2HG LYS 31 6.282 -18.590 -15.937 245 HG3 LYS 31 3HG LYS 31 4.991 -18.473 -14.738 246 HD2 LYS 31 2HD LYS 31 4.864 -17.357 -17.546 247 HD3 LYS 31 3HD LYS 31 4.143 -18.881 -17.029 248 HE2 LYS 31 2HE LYS 31 2.684 -17.704 -15.484 249 HE3 LYS 31 3HE LYS 31 3.454 -16.172 -15.886 250 HZ1 LYS 31 3HZ LYS 31 1.977 -17.859 -17.828 251 HZ2 LYS 31 1HZ LYS 31 2.606 -16.316 -18.107 252 HZ3 LYS 31 2HZ LYS 31 1.322 -16.520 -17.028 253 H GLY 32 H GLY 32 7.135 -15.509 -11.710 254 HA2 GLY 32 2HA GLY 32 8.790 -13.709 -11.299 255 HA3 GLY 32 3HA GLY 32 8.297 -13.031 -12.841 256 H THR 33 H THR 33 7.028 -11.301 -12.636 257 HA THR 33 HA THR 33 5.088 -11.179 -10.410 258 HB THR 33 HB THR 33 5.550 -8.712 -10.222 259 HG1 THR 33 HG1 THR 33 7.552 -7.969 -11.065 260 HG21 THR 33 3HG2 THR 33 7.556 -8.955 -8.840 261 HG22 THR 33 1HG2 THR 33 7.875 -10.532 -9.565 262 HG23 THR 33 2HG2 THR 33 6.437 -10.291 -8.571 263 H SER 34 H SER 34 3.211 -9.979 -10.764 264 HA SER 34 HA SER 34 2.760 -8.738 -13.371 265 HB2 SER 34 2HB SER 34 2.143 -11.104 -13.727 266 HB3 SER 34 3HB SER 34 1.031 -11.024 -12.364 267 HG SER 34 HG SER 34 -0.169 -10.703 -14.190 268 HA PRO 35 HA PRO 35 0.607 -5.829 -10.769 269 HB2 PRO 35 2HB PRO 35 -1.033 -5.249 -13.186 270 HB3 PRO 35 3HB PRO 35 -0.051 -4.160 -12.199 271 HG2 PRO 35 2HG PRO 35 0.778 -4.923 -14.616 272 HG3 PRO 35 3HG PRO 35 1.925 -4.752 -13.273 273 HD2 PRO 35 2HD PRO 35 0.720 -7.243 -14.434 274 HD3 PRO 35 3HD PRO 35 2.386 -6.943 -13.895 275 H LEU 36 H LEU 36 -0.940 -6.303 -9.313 276 HA LEU 36 HA LEU 36 -3.181 -8.025 -10.124 277 HB2 LEU 36 2HB LEU 36 -1.762 -8.750 -8.235 278 HB3 LEU 36 3HB LEU 36 -2.202 -7.295 -7.360 279 HG LEU 36 HG LEU 36 -4.581 -8.058 -7.377 280 HD11 LEU 36 1HD1 LEU 36 -4.518 -9.498 -9.330 281 HD12 LEU 36 2HD1 LEU 36 -5.054 -10.407 -7.917 282 HD13 LEU 36 3HD1 LEU 36 -3.405 -10.596 -8.514 283 HD21 LEU 36 3HD2 LEU 36 -3.152 -8.437 -5.434 284 HD22 LEU 36 1HD2 LEU 36 -2.606 -9.969 -6.119 285 HD23 LEU 36 2HD2 LEU 36 -4.294 -9.762 -5.649 286 H THR 37 H THR 37 -2.508 -4.896 -8.613 287 HA THR 37 HA THR 37 -5.308 -4.095 -9.065 288 HB THR 37 HB THR 37 -5.326 -2.898 -6.851 289 HG1 THR 37 HG1 THR 37 -2.921 -4.386 -6.550 290 HG21 THR 37 3HG2 THR 37 -6.506 -5.028 -7.108 291 HG22 THR 37 1HG2 THR 37 -5.808 -4.892 -5.494 292 HG23 THR 37 2HG2 THR 37 -5.029 -5.907 -6.710 293 H SER 38 H SER 38 -5.623 -1.734 -9.002 294 HA SER 38 HA SER 38 -3.398 -0.336 -10.235 295 HB2 SER 38 2HB SER 38 -5.659 -0.082 -11.169 296 HB3 SER 38 3HB SER 38 -6.217 0.616 -9.648 297 HG SER 38 HG SER 38 -5.455 2.026 -11.543 298 H TYR 39 H TYR 39 -3.293 2.144 -9.581 299 HA TYR 39 HA TYR 39 -2.440 2.143 -6.783 300 HB2 TYR 39 2HB TYR 39 -1.920 4.086 -9.044 301 HB3 TYR 39 3HB TYR 39 -1.349 4.330 -7.397 302 HD1 TYR 39 HD1 TYR 39 -0.999 2.222 -10.415 303 HD2 TYR 39 HD2 TYR 39 0.539 3.115 -6.541 304 HE1 TYR 39 HE1 TYR 39 1.006 0.887 -10.906 305 HE2 TYR 39 HE2 TYR 39 2.549 1.784 -7.029 306 HH TYR 39 HH TYR 39 3.407 0.806 -10.105 307 H PHE 40 H PHE 40 -3.793 2.843 -5.272 308 HA PHE 40 HA PHE 40 -5.896 4.780 -5.940 309 HB2 PHE 40 2HB PHE 40 -5.487 3.247 -3.356 310 HB3 PHE 40 3HB PHE 40 -6.927 4.141 -3.839 311 HD1 PHE 40 HD1 PHE 40 -8.126 3.345 -5.986 312 HD2 PHE 40 HD2 PHE 40 -5.321 0.974 -3.826 313 HE1 PHE 40 HE1 PHE 40 -9.034 1.316 -7.036 314 HE2 PHE 40 HE2 PHE 40 -6.228 -1.056 -4.877 315 HZ PHE 40 HZ PHE 40 -8.085 -0.888 -6.484 316 H PHE 41 H PHE 41 -5.936 6.860 -5.170 317 HA PHE 41 HA PHE 41 -3.427 7.788 -3.971 318 HB2 PHE 41 2HB PHE 41 -5.617 9.291 -5.420 319 HB3 PHE 41 3HB PHE 41 -4.173 10.044 -4.749 320 HD1 PHE 41 HD1 PHE 41 -5.378 7.619 -7.275 321 HD2 PHE 41 HD2 PHE 41 -2.119 10.007 -5.923 322 HE1 PHE 41 HE1 PHE 41 -4.166 7.142 -9.362 323 HE2 PHE 41 HE2 PHE 41 -0.902 9.530 -8.006 324 HZ PHE 41 HZ PHE 41 -1.926 8.096 -9.730 325 H TRP 42 H TRP 42 -3.330 8.149 -1.901 326 HA TRP 42 HA TRP 42 -5.669 9.079 -0.371 327 HB2 TRP 42 2HB TRP 42 -4.767 7.168 0.664 328 HB3 TRP 42 3HB TRP 42 -3.113 7.643 0.325 329 HD1 TRP 42 HD1 TRP 42 -1.851 9.004 2.151 330 HE1 TRP 42 HE1 TRP 42 -2.409 9.735 4.533 331 HE3 TRP 42 HE3 TRP 42 -6.859 7.981 2.152 332 HZ2 TRP 42 HZ2 TRP 42 -4.676 9.881 6.213 333 HZ3 TRP 42 HZ3 TRP 42 -8.152 8.447 4.194 334 HH2 TRP 42 HH2 TRP 42 -7.083 9.375 6.182 335 HA PRO 43 HA PRO 43 -6.203 10.140 1.281 336 HB2 PRO 43 2HB PRO 43 -7.035 12.398 2.424 337 HB3 PRO 43 3HB PRO 43 -5.596 11.560 3.021 338 HG2 PRO 43 2HG PRO 43 -5.798 14.035 1.375 339 HG3 PRO 43 3HG PRO 43 -4.605 13.599 2.609 340 HD2 PRO 43 2HD PRO 43 -4.328 13.346 -0.212 341 HD3 PRO 43 3HD PRO 43 -3.216 12.735 1.029 342 H ARG 44 H ARG 44 -5.961 11.489 -1.579 343 HA ARG 44 HA ARG 44 -8.244 13.056 -2.008 344 HB2 ARG 44 2HB ARG 44 -6.826 11.230 -3.964 345 HB3 ARG 44 3HB ARG 44 -7.971 12.492 -4.399 346 HG2 ARG 44 2HG ARG 44 -6.420 14.150 -3.336 347 HG3 ARG 44 3HG ARG 44 -5.248 12.844 -3.154 348 HD2 ARG 44 2HD ARG 44 -4.758 14.130 -5.154 349 HD3 ARG 44 3HD ARG 44 -5.278 12.505 -5.599 350 HE ARG 44 HE ARG 44 -7.566 13.705 -5.866 351 HH11 ARG 44 1HH1 ARG 44 -4.482 14.983 -6.721 352 HH12 ARG 44 2HH1 ARG 44 -5.131 16.003 -7.954 353 HH21 ARG 44 1HH2 ARG 44 -8.384 15.032 -7.431 354 HH22 ARG 44 2HH2 ARG 44 -7.316 16.050 -8.337 355 H ALA 45 H ALA 45 -7.881 9.570 -1.871 356 HA ALA 45 HA ALA 45 -10.804 9.307 -1.862 357 HB1 ALA 45 3HB ALA 45 -10.737 7.375 -3.359 358 HB2 ALA 45 1HB ALA 45 -8.997 7.589 -3.570 359 HB3 ALA 45 2HB ALA 45 -10.116 8.818 -4.159 360 H ASP 46 H ASP 46 -11.481 7.077 -1.120 361 HA ASP 46 HA ASP 46 -10.104 6.324 1.254 362 HB2 ASP 46 2HB ASP 46 -12.271 4.792 -0.213 363 HB3 ASP 46 3HB ASP 46 -11.804 4.592 1.475 364 H ALA 47 H ALA 47 -7.982 5.879 0.426 365 HA ALA 47 HA ALA 47 -7.339 4.116 -1.626 366 HB1 ALA 47 3HB ALA 47 -5.089 4.070 -0.677 367 HB2 ALA 47 1HB ALA 47 -5.704 4.751 0.831 368 HB3 ALA 47 2HB ALA 47 -5.758 5.701 -0.654 369 H TRP 48 H TRP 48 -7.458 3.398 1.873 370 HA TRP 48 HA TRP 48 -6.644 0.693 1.576 371 HB2 TRP 48 2HB TRP 48 -6.432 2.093 3.662 372 HB3 TRP 48 3HB TRP 48 -8.163 1.887 3.904 373 HD1 TRP 48 HD1 TRP 48 -4.976 -0.301 3.622 374 HE1 TRP 48 HE1 TRP 48 -5.313 -2.389 5.077 375 HE3 TRP 48 HE3 TRP 48 -9.798 0.519 5.136 376 HZ2 TRP 48 HZ2 TRP 48 -7.337 -3.542 6.660 377 HZ3 TRP 48 HZ3 TRP 48 -10.856 -1.127 6.628 378 HH2 TRP 48 HH2 TRP 48 -9.650 -3.118 7.374 379 H GLN 49 H GLN 49 -9.848 2.204 1.953 380 HA GLN 49 HA GLN 49 -11.360 -0.156 2.156 381 HB2 GLN 49 2HB GLN 49 -12.245 2.087 2.688 382 HB3 GLN 49 3HB GLN 49 -12.205 2.503 0.980 383 HG2 GLN 49 2HG GLN 49 -14.456 1.931 1.654 384 HG3 GLN 49 3HG GLN 49 -13.840 0.740 0.512 385 HE21 GLN 49 1HE2 GLN 49 -12.940 0.857 3.901 386 HE22 GLN 49 2HE2 GLN 49 -13.730 -0.610 4.349 387 H GLN 50 H GLN 50 -10.401 1.719 -0.704 388 HA GLN 50 HA GLN 50 -11.738 0.094 -2.613 389 HB2 GLN 50 2HB GLN 50 -9.280 1.840 -2.945 390 HB3 GLN 50 3HB GLN 50 -10.219 1.153 -4.265 391 HG2 GLN 50 2HG GLN 50 -12.149 2.467 -3.631 392 HG3 GLN 50 3HG GLN 50 -11.296 3.089 -2.219 393 HE21 GLN 50 1HE2 GLN 50 -9.634 4.597 -2.526 394 HE22 GLN 50 2HE2 GLN 50 -9.469 5.484 -3.996 395 H LEU 51 H LEU 51 -8.390 0.090 -1.399 396 HA LEU 51 HA LEU 51 -7.387 -1.955 -3.027 397 HB2 LEU 51 2HB LEU 51 -6.004 -0.411 -1.686 398 HB3 LEU 51 3HB LEU 51 -6.538 -1.215 -0.221 399 HG LEU 51 HG LEU 51 -5.460 -3.314 -1.008 400 HD11 LEU 51 1HD1 LEU 51 -4.421 -1.587 -3.261 401 HD12 LEU 51 2HD1 LEU 51 -5.554 -2.930 -3.411 402 HD13 LEU 51 3HD1 LEU 51 -3.895 -3.231 -2.897 403 HD21 LEU 51 3HD2 LEU 51 -3.151 -2.606 -0.613 404 HD22 LEU 51 1HD2 LEU 51 -4.261 -1.807 0.500 405 HD23 LEU 51 2HD2 LEU 51 -3.612 -0.925 -0.883 406 H LYS 52 H LYS 52 -8.692 -2.190 0.311 407 HA LYS 52 HA LYS 52 -8.324 -4.950 0.599 408 HB2 LYS 52 2HB LYS 52 -9.803 -4.873 2.469 409 HB3 LYS 52 3HB LYS 52 -8.904 -3.364 2.456 410 HG2 LYS 52 2HG LYS 52 -10.842 -2.219 1.480 411 HG3 LYS 52 3HG LYS 52 -11.741 -3.736 1.494 412 HD2 LYS 52 2HD LYS 52 -10.654 -2.308 3.926 413 HD3 LYS 52 3HD LYS 52 -12.335 -2.302 3.399 414 HE2 LYS 52 2HE LYS 52 -10.794 -4.784 4.165 415 HE3 LYS 52 3HE LYS 52 -11.862 -3.898 5.251 416 HZ1 LYS 52 3HZ LYS 52 -13.721 -4.387 3.829 417 HZ2 LYS 52 1HZ LYS 52 -12.927 -5.832 4.207 418 HZ3 LYS 52 2HZ LYS 52 -12.720 -5.135 2.687 419 H ASP 53 H ASP 53 -11.121 -3.154 -0.660 420 HA ASP 53 HA ASP 53 -12.840 -5.342 -1.000 421 HB2 ASP 53 2HB ASP 53 -13.541 -2.965 -1.114 422 HB3 ASP 53 3HB ASP 53 -12.708 -2.809 -2.659 423 H GLU 54 H GLU 54 -10.419 -3.951 -3.200 424 HA GLU 54 HA GLU 54 -10.922 -5.617 -5.413 425 HB2 GLU 54 2HB GLU 54 -8.489 -4.098 -4.495 426 HB3 GLU 54 3HB GLU 54 -8.430 -5.113 -5.930 427 HG2 GLU 54 2HG GLU 54 -10.440 -2.902 -5.556 428 HG3 GLU 54 3HG GLU 54 -8.871 -2.673 -6.328 429 H LEU 55 H LEU 55 -8.687 -6.045 -2.673 430 HA LEU 55 HA LEU 55 -7.565 -8.488 -3.600 431 HB2 LEU 55 2HB LEU 55 -7.733 -7.385 -0.791 432 HB3 LEU 55 3HB LEU 55 -6.715 -8.723 -1.290 433 HG LEU 55 HG LEU 55 -6.461 -5.867 -2.254 434 HD11 LEU 55 1HD1 LEU 55 -5.759 -6.109 0.059 435 HD12 LEU 55 2HD1 LEU 55 -4.362 -5.862 -0.987 436 HD13 LEU 55 3HD1 LEU 55 -4.730 -7.475 -0.374 437 HD21 LEU 55 3HD2 LEU 55 -5.804 -7.455 -3.986 438 HD22 LEU 55 1HD2 LEU 55 -4.742 -8.281 -2.845 439 HD23 LEU 55 2HD2 LEU 55 -4.395 -6.622 -3.333 440 H GLU 56 H GLU 56 -10.214 -7.789 -1.344 441 HA GLU 56 HA GLU 56 -10.611 -10.520 -0.584 442 HB2 GLU 56 2HB GLU 56 -12.448 -8.141 -0.240 443 HB3 GLU 56 3HB GLU 56 -12.582 -9.680 0.603 444 HG2 GLU 56 2HG GLU 56 -10.486 -9.295 1.736 445 HG3 GLU 56 3HG GLU 56 -10.214 -7.824 0.809 446 H ALA 57 H ALA 57 -12.037 -8.420 -3.038 447 HA ALA 57 HA ALA 57 -14.202 -10.040 -3.807 448 HB1 ALA 57 3HB ALA 57 -12.486 -8.249 -5.535 449 HB2 ALA 57 1HB ALA 57 -13.906 -7.750 -4.615 450 HB3 ALA 57 2HB ALA 57 -14.080 -8.874 -5.965 451 H LYS 58 H LYS 58 -10.780 -10.187 -4.590 452 HA LYS 58 HA LYS 58 -11.041 -12.364 -6.467 453 HB2 LYS 58 2HB LYS 58 -8.563 -11.361 -5.043 454 HB3 LYS 58 3HB LYS 58 -8.611 -12.369 -6.484 455 HG2 LYS 58 2HG LYS 58 -9.517 -10.560 -7.786 456 HG3 LYS 58 3HG LYS 58 -9.675 -9.552 -6.346 457 HD2 LYS 58 2HD LYS 58 -7.214 -9.620 -6.066 458 HD3 LYS 58 3HD LYS 58 -7.088 -10.558 -7.556 459 HE2 LYS 58 2HE LYS 58 -8.179 -7.750 -7.295 460 HE3 LYS 58 3HE LYS 58 -6.614 -8.200 -7.970 461 HZ1 LYS 58 3HZ LYS 58 -9.287 -8.846 -9.084 462 HZ2 LYS 58 1HZ LYS 58 -7.837 -9.479 -9.684 463 HZ3 LYS 58 2HZ LYS 58 -8.127 -7.815 -9.746 464 H HIS 59 H HIS 59 -11.995 -14.127 -5.469 465 HA HIS 59 HA HIS 59 -11.489 -14.805 -2.749 466 HB2 HIS 59 2HB HIS 59 -12.880 -16.412 -4.902 467 HB3 HIS 59 3HB HIS 59 -12.921 -16.764 -3.176 468 HD1 HIS 59 HD1 HIS 59 -15.074 -15.461 -5.536 469 HD2 HIS 59 HD2 HIS 59 -13.814 -14.055 -1.839 470 HE1 HIS 59 HE1 HIS 59 -16.830 -13.828 -4.808 471 HE2 HIS 59 HE2 HIS 59 -15.941 -12.842 -2.675 472 H TRP 60 H TRP 60 -9.522 -15.306 -5.365 473 HA TRP 60 HA TRP 60 -8.436 -17.840 -4.401 474 HB2 TRP 60 2HB TRP 60 -6.934 -17.720 -6.364 475 HB3 TRP 60 3HB TRP 60 -8.631 -17.623 -6.807 476 HD1 TRP 60 HD1 TRP 60 -9.532 -15.082 -7.500 477 HE1 TRP 60 HE1 TRP 60 -8.269 -13.196 -8.719 478 HE3 TRP 60 HE3 TRP 60 -4.727 -16.665 -6.702 479 HZ2 TRP 60 HZ2 TRP 60 -5.598 -12.480 -9.272 480 HZ3 TRP 60 HZ3 TRP 60 -2.876 -15.322 -7.617 481 HH2 TRP 60 HH2 TRP 60 -3.304 -13.273 -8.875 482 H ILE 61 H ILE 61 -8.134 -14.755 -3.409 483 HA ILE 61 HA ILE 61 -5.255 -14.787 -2.906 484 HB ILE 61 HB ILE 61 -7.439 -12.774 -2.478 485 HG12 ILE 61 2HG1 ILE 61 -5.925 -11.282 -3.655 486 HG13 ILE 61 3HG1 ILE 61 -4.628 -12.467 -3.578 487 HG21 ILE 61 1HG2 ILE 61 -4.782 -12.692 -1.042 488 HG22 ILE 61 2HG2 ILE 61 -6.383 -12.789 -0.308 489 HG23 ILE 61 3HG2 ILE 61 -5.900 -11.336 -1.179 490 HD11 ILE 61 3HD1 ILE 61 -7.200 -12.806 -5.095 491 HD12 ILE 61 1HD1 ILE 61 -5.839 -13.925 -5.076 492 HD13 ILE 61 2HD1 ILE 61 -5.653 -12.322 -5.788 493 H ALA 62 H ALA 62 -4.331 -15.527 -1.079 494 HA ALA 62 HA ALA 62 -5.780 -16.837 0.964 495 HB1 ALA 62 3HB ALA 62 -3.467 -17.407 0.381 496 HB2 ALA 62 1HB ALA 62 -3.633 -17.058 2.103 497 HB3 ALA 62 2HB ALA 62 -2.921 -15.857 1.022 498 H GLU 63 H GLU 63 -6.523 -16.168 2.939 499 HA GLU 63 HA GLU 63 -7.107 -13.436 3.269 500 HB2 GLU 63 2HB GLU 63 -8.563 -15.164 4.165 501 HB3 GLU 63 3HB GLU 63 -7.304 -15.691 5.273 502 HG2 GLU 63 2HG GLU 63 -7.433 -13.655 6.517 503 HG3 GLU 63 3HG GLU 63 -8.494 -12.924 5.316 504 H ALA 64 H ALA 64 -4.772 -15.504 5.031 505 HA ALA 64 HA ALA 64 -3.860 -13.597 6.857 506 HB1 ALA 64 3HB ALA 64 -2.252 -15.804 5.565 507 HB2 ALA 64 1HB ALA 64 -3.275 -15.967 6.992 508 HB3 ALA 64 2HB ALA 64 -1.835 -14.951 7.052 509 H ASP 65 H ASP 65 -2.601 -14.312 3.594 510 HA ASP 65 HA ASP 65 -0.633 -12.299 3.507 511 HB2 ASP 65 2HB ASP 65 -2.211 -13.618 1.283 512 HB3 ASP 65 3HB ASP 65 -0.811 -12.580 1.019 513 H ARG 66 H ARG 66 -4.030 -12.270 2.470 514 HA ARG 66 HA ARG 66 -4.137 -9.693 1.403 515 HB2 ARG 66 2HB ARG 66 -6.188 -10.443 0.932 516 HB3 ARG 66 3HB ARG 66 -5.977 -11.785 2.042 517 HG2 ARG 66 2HG ARG 66 -6.806 -10.314 3.878 518 HG3 ARG 66 3HG ARG 66 -7.138 -9.070 2.669 519 HD2 ARG 66 2HD ARG 66 -8.646 -10.634 1.503 520 HD3 ARG 66 3HD ARG 66 -8.326 -11.852 2.736 521 HE ARG 66 HE ARG 66 -9.600 -9.267 3.381 522 HH11 ARG 66 1HH1 ARG 66 -9.524 -12.704 3.563 523 HH12 ARG 66 2HH1 ARG 66 -10.900 -12.794 4.596 524 HH21 ARG 66 1HH2 ARG 66 -11.409 -9.392 4.642 525 HH22 ARG 66 2HH2 ARG 66 -11.975 -10.938 5.181 526 H ILE 67 H ILE 67 -4.666 -10.758 4.760 527 HA ILE 67 HA ILE 67 -5.255 -8.166 5.781 528 HB ILE 67 HB ILE 67 -4.209 -10.617 7.228 529 HG12 ILE 67 2HG1 ILE 67 -6.368 -11.017 6.125 530 HG13 ILE 67 3HG1 ILE 67 -6.567 -10.973 7.872 531 HG21 ILE 67 1HG2 ILE 67 -5.478 -8.112 8.351 532 HG22 ILE 67 2HG2 ILE 67 -3.792 -8.601 8.533 533 HG23 ILE 67 3HG2 ILE 67 -5.073 -9.560 9.274 534 HD11 ILE 67 3HD1 ILE 67 -7.225 -8.736 5.966 535 HD12 ILE 67 1HD1 ILE 67 -7.429 -8.692 7.717 536 HD13 ILE 67 2HD1 ILE 67 -8.380 -9.816 6.745 537 H ASN 68 H ASN 68 -2.267 -10.067 5.542 538 HA ASN 68 HA ASN 68 -0.495 -8.433 6.915 539 HB2 ASN 68 2HB ASN 68 0.193 -10.597 6.091 540 HB3 ASN 68 3HB ASN 68 -0.052 -10.093 4.422 541 HD21 ASN 68 1HD2 ASN 68 2.016 -10.417 3.741 542 HD22 ASN 68 2HD2 ASN 68 3.363 -9.488 4.295 543 H VAL 69 H VAL 69 -1.082 -8.354 3.378 544 HA VAL 69 HA VAL 69 0.476 -6.057 2.913 545 HB VAL 69 HB VAL 69 -0.633 -5.916 0.714 546 HG11 VAL 69 1HG1 VAL 69 1.234 -7.456 1.048 547 HG12 VAL 69 2HG1 VAL 69 0.079 -8.107 -0.116 548 HG13 VAL 69 3HG1 VAL 69 0.113 -8.728 1.535 549 HG21 VAL 69 3HG2 VAL 69 -2.346 -7.565 0.089 550 HG22 VAL 69 1HG2 VAL 69 -2.912 -6.500 1.378 551 HG23 VAL 69 2HG2 VAL 69 -2.397 -8.144 1.754 552 H LEU 70 H LEU 70 -2.933 -6.388 3.776 553 HA LEU 70 HA LEU 70 -3.644 -3.671 3.350 554 HB2 LEU 70 2HB LEU 70 -4.828 -5.821 5.100 555 HB3 LEU 70 3HB LEU 70 -5.508 -4.207 5.005 556 HG LEU 70 HG LEU 70 -5.236 -6.139 2.692 557 HD11 LEU 70 1HD1 LEU 70 -7.688 -5.216 4.193 558 HD12 LEU 70 2HD1 LEU 70 -6.953 -6.816 4.295 559 HD13 LEU 70 3HD1 LEU 70 -7.668 -6.271 2.778 560 HD21 LEU 70 3HD2 LEU 70 -6.456 -3.378 2.824 561 HD22 LEU 70 1HD2 LEU 70 -6.584 -4.484 1.455 562 HD23 LEU 70 2HD2 LEU 70 -5.010 -3.848 1.931 563 H ASN 71 H ASN 71 -2.397 -5.382 6.216 564 HA ASN 71 HA ASN 71 -2.620 -3.186 7.994 565 HB2 ASN 71 2HB ASN 71 -0.842 -5.626 8.048 566 HB3 ASN 71 3HB ASN 71 -0.875 -4.437 9.348 567 HD21 ASN 71 1HD2 ASN 71 -1.578 -7.227 9.437 568 HD22 ASN 71 2HD2 ASN 71 -3.216 -7.298 9.970 569 H GLN 72 H GLN 72 0.243 -4.401 6.196 570 HA GLN 72 HA GLN 72 1.956 -2.317 7.023 571 HB2 GLN 72 2HB GLN 72 3.433 -3.003 5.191 572 HB3 GLN 72 3HB GLN 72 2.834 -4.383 6.098 573 HG2 GLN 72 2HG GLN 72 1.146 -4.748 4.298 574 HG3 GLN 72 3HG GLN 72 1.920 -3.457 3.381 575 HE21 GLN 72 1HE2 GLN 72 3.685 -5.758 5.363 576 HE22 GLN 72 2HE2 GLN 72 4.455 -6.571 4.053 577 H ALA 73 H ALA 73 -0.248 -2.543 4.249 578 HA ALA 73 HA ALA 73 0.418 -0.096 3.029 579 HB1 ALA 73 3HB ALA 73 -1.037 -1.739 1.959 580 HB2 ALA 73 1HB ALA 73 -1.824 -0.163 2.046 581 HB3 ALA 73 2HB ALA 73 -2.282 -1.443 3.172 582 H THR 74 H THR 74 -1.937 -0.833 5.599 583 HA THR 74 HA THR 74 -2.914 1.756 6.038 584 HB THR 74 HB THR 74 -2.558 -0.499 8.037 585 HG1 THR 74 HG1 THR 74 -4.036 -1.186 6.599 586 HG21 THR 74 3HG2 THR 74 -4.269 0.659 9.382 587 HG22 THR 74 1HG2 THR 74 -4.234 2.014 8.252 588 HG23 THR 74 2HG2 THR 74 -2.808 1.632 9.219 589 H GLU 75 H GLU 75 -0.076 0.115 7.410 590 HA GLU 75 HA GLU 75 0.728 2.141 9.174 591 HB2 GLU 75 2HB GLU 75 2.408 0.113 7.680 592 HB3 GLU 75 3HB GLU 75 3.010 1.134 8.981 593 HG2 GLU 75 2HG GLU 75 1.301 0.124 10.483 594 HG3 GLU 75 3HG GLU 75 0.877 -0.985 9.180 595 H VAL 76 H VAL 76 1.593 1.625 5.746 596 HA VAL 76 HA VAL 76 3.295 3.857 5.475 597 HB VAL 76 HB VAL 76 1.554 2.561 3.361 598 HG11 VAL 76 1HG1 VAL 76 3.957 4.369 3.041 599 HG12 VAL 76 2HG1 VAL 76 2.287 4.785 2.660 600 HG13 VAL 76 3HG1 VAL 76 3.118 3.537 1.731 601 HG21 VAL 76 3HG2 VAL 76 3.546 1.286 2.764 602 HG22 VAL 76 1HG2 VAL 76 3.113 0.996 4.448 603 HG23 VAL 76 2HG2 VAL 76 4.457 2.069 4.056 604 H ILE 77 H ILE 77 -0.209 3.541 4.914 605 HA ILE 77 HA ILE 77 -0.762 6.156 4.077 606 HB ILE 77 HB ILE 77 -2.489 4.225 5.641 607 HG12 ILE 77 2HG1 ILE 77 -2.412 4.904 2.686 608 HG13 ILE 77 3HG1 ILE 77 -1.782 3.430 3.414 609 HG21 ILE 77 1HG2 ILE 77 -3.342 6.468 5.981 610 HG22 ILE 77 2HG2 ILE 77 -4.417 5.569 4.909 611 HG23 ILE 77 3HG2 ILE 77 -3.310 6.769 4.244 612 HD11 ILE 77 3HD1 ILE 77 -4.050 2.823 4.120 613 HD12 ILE 77 1HD1 ILE 77 -3.926 3.030 2.372 614 HD13 ILE 77 2HD1 ILE 77 -4.668 4.289 3.356 615 H ASN 78 H ASN 78 -0.988 4.815 7.385 616 HA ASN 78 HA ASN 78 -1.524 7.270 8.677 617 HB2 ASN 78 2HB ASN 78 -0.316 4.700 9.731 618 HB3 ASN 78 3HB ASN 78 -0.804 6.049 10.755 619 HD21 ASN 78 1HD2 ASN 78 -1.789 3.285 10.622 620 HD22 ASN 78 2HD2 ASN 78 -3.491 3.418 10.356 621 H PHE 79 H PHE 79 1.492 5.687 7.788 622 HA PHE 79 HA PHE 79 3.263 7.302 9.287 623 HB2 PHE 79 2HB PHE 79 3.876 5.138 8.207 624 HB3 PHE 79 3HB PHE 79 3.792 5.926 6.638 625 HD1 PHE 79 HD2 PHE 79 5.547 6.065 9.912 626 HD2 PHE 79 HD1 PHE 79 5.688 6.988 5.754 627 HE1 PHE 79 HE2 PHE 79 7.914 6.701 10.136 628 HE2 PHE 79 HE1 PHE 79 8.055 7.624 5.976 629 HZ PHE 79 HZ PHE 79 9.171 7.482 8.165 630 H TRP 80 H TRP 80 2.097 7.581 5.924 631 HA TRP 80 HA TRP 80 3.398 9.915 5.156 632 HB2 TRP 80 2HB TRP 80 2.064 8.545 3.614 633 HB3 TRP 80 3HB TRP 80 0.588 9.005 4.456 634 HD1 TRP 80 HD1 TRP 80 3.160 10.342 1.964 635 HE1 TRP 80 HE1 TRP 80 2.219 12.464 0.862 636 HE3 TRP 80 HE3 TRP 80 -0.998 10.993 4.866 637 HZ2 TRP 80 HZ2 TRP 80 0.011 14.185 1.176 638 HZ3 TRP 80 HZ3 TRP 80 -2.473 12.904 4.398 639 HH2 TRP 80 HH2 TRP 80 -1.979 14.469 2.590 640 H GLN 81 H GLN 81 0.258 9.576 6.800 641 HA GLN 81 HA GLN 81 -0.244 12.341 7.133 642 HB2 GLN 81 2HB GLN 81 -1.993 10.623 7.317 643 HB3 GLN 81 3HB GLN 81 -1.233 9.984 8.766 644 HG2 GLN 81 2HG GLN 81 -3.212 11.370 9.234 645 HG3 GLN 81 3HG GLN 81 -1.746 11.996 9.985 646 HE21 GLN 81 1HE2 GLN 81 -0.906 13.951 9.276 647 HE22 GLN 81 2HE2 GLN 81 -1.778 15.017 8.238 648 H ASP 82 H ASP 82 1.536 10.001 9.049 649 HA ASP 82 HA ASP 82 1.947 11.550 11.376 650 HB2 ASP 82 2HB ASP 82 2.377 9.018 10.887 651 HB3 ASP 82 3HB ASP 82 3.955 9.557 10.325 652 H LEU 83 H LEU 83 3.768 11.249 8.349 653 HA LEU 83 HA LEU 83 5.882 13.031 8.987 654 HB2 LEU 83 2HB LEU 83 4.705 12.508 6.247 655 HB3 LEU 83 3HB LEU 83 6.318 13.094 6.606 656 HG LEU 83 HG LEU 83 5.280 10.336 7.277 657 HD11 LEU 83 1HD1 LEU 83 5.532 10.608 4.884 658 HD12 LEU 83 2HD1 LEU 83 6.807 9.564 5.516 659 HD13 LEU 83 3HD1 LEU 83 7.163 11.243 5.104 660 HD21 LEU 83 3HD2 LEU 83 6.972 11.118 8.864 661 HD22 LEU 83 1HD2 LEU 83 8.063 11.478 7.524 662 HD23 LEU 83 2HD2 LEU 83 7.584 9.810 7.853 663 H LYS 84 H LYS 84 2.707 13.460 7.521 664 HA LYS 84 HA LYS 84 2.924 16.144 6.731 665 HB2 LYS 84 2HB LYS 84 0.903 14.116 6.822 666 HB3 LYS 84 3HB LYS 84 0.216 15.595 7.472 667 HG2 LYS 84 2HG LYS 84 1.626 15.439 4.809 668 HG3 LYS 84 3HG LYS 84 -0.116 15.243 5.014 669 HD2 LYS 84 2HD LYS 84 -0.218 17.498 6.032 670 HD3 LYS 84 3HD LYS 84 1.509 17.691 5.734 671 HE2 LYS 84 2HE LYS 84 1.158 17.543 3.347 672 HE3 LYS 84 3HE LYS 84 -0.550 17.185 3.584 673 HZ1 LYS 84 3HZ LYS 84 -0.154 19.505 2.976 674 HZ2 LYS 84 1HZ LYS 84 0.776 19.723 4.373 675 HZ3 LYS 84 2HZ LYS 84 -0.874 19.373 4.503 676 H ASN 85 H ASN 85 1.633 14.785 9.792 677 HA ASN 85 HA ASN 85 0.964 17.378 10.811 678 HB2 ASN 85 2HB ASN 85 0.415 16.234 12.913 679 HB3 ASN 85 3HB ASN 85 -0.305 15.426 11.529 680 HD21 ASN 85 1HD2 ASN 85 -0.516 13.453 12.482 681 HD22 ASN 85 2HD2 ASN 85 0.830 12.466 12.931 682 H GLN 86 H GLN 86 3.813 15.326 11.063 683 HA GLN 86 HA GLN 86 5.116 17.100 12.946 684 HB2 GLN 86 2HB GLN 86 6.137 14.802 11.274 685 HB3 GLN 86 3HB GLN 86 7.180 15.760 12.318 686 HG2 GLN 86 2HG GLN 86 5.760 15.128 14.246 687 HG3 GLN 86 3HG GLN 86 4.825 14.085 13.176 688 HE21 GLN 86 1HE2 GLN 86 5.750 12.186 12.414 689 HE22 GLN 86 2HE2 GLN 86 7.179 11.521 13.117 690 H ASN 87 H ASN 87 4.353 17.453 9.751 691 HA ASN 87 HA ASN 87 4.980 18.877 8.095 692 HB2 ASN 87 2HB ASN 87 4.855 20.409 10.171 693 HB3 ASN 87 3HB ASN 87 6.616 20.375 10.145 694 HD21 ASN 87 1HD2 ASN 87 3.749 21.438 8.513 695 HD22 ASN 87 2HD2 ASN 87 4.529 22.559 7.457 696 H LYS 88 H LYS 88 6.675 16.541 8.684 697 HA LYS 88 HA LYS 88 9.419 17.097 8.489 698 HB2 LYS 88 2HB LYS 88 7.737 14.702 7.808 699 HB3 LYS 88 3HB LYS 88 9.456 14.710 7.430 700 HG2 LYS 88 2HG LYS 88 10.024 14.994 9.755 701 HG3 LYS 88 3HG LYS 88 8.322 15.182 10.187 702 HD2 LYS 88 2HD LYS 88 7.848 12.917 9.754 703 HD3 LYS 88 3HD LYS 88 9.333 12.692 8.829 704 HE2 LYS 88 2HE LYS 88 9.276 13.282 11.790 705 HE3 LYS 88 3HE LYS 88 9.332 11.653 11.116 706 HZ1 LYS 88 3HZ LYS 88 11.533 12.467 11.704 707 HZ2 LYS 88 1HZ LYS 88 11.360 13.770 10.641 708 HZ3 LYS 88 2HZ LYS 88 11.415 12.191 10.042 709 H GLN 89 H GLN 89 7.012 16.612 5.931 710 HA GLN 89 HA GLN 89 7.035 16.962 3.676 711 HB2 GLN 89 2HB GLN 89 7.419 19.277 4.681 712 HB3 GLN 89 3HB GLN 89 9.112 19.077 4.260 713 HG2 GLN 89 2HG GLN 89 7.967 20.396 2.579 714 HG3 GLN 89 3HG GLN 89 8.503 18.863 1.895 715 HE21 GLN 89 1HE2 GLN 89 5.743 20.729 2.919 716 HE22 GLN 89 2HE2 GLN 89 4.553 19.759 2.132 717 H ILE 90 H ILE 90 8.835 14.919 4.568 718 HA ILE 90 HA ILE 90 11.363 15.153 3.223 719 HB ILE 90 HB ILE 90 11.687 12.786 3.826 720 HG12 ILE 90 2HG1 ILE 90 8.890 12.947 4.999 721 HG13 ILE 90 3HG1 ILE 90 9.298 12.097 3.512 722 HG21 ILE 90 1HG2 ILE 90 11.644 13.082 6.263 723 HG22 ILE 90 2HG2 ILE 90 10.594 14.485 6.071 724 HG23 ILE 90 3HG2 ILE 90 12.242 14.525 5.443 725 HD11 ILE 90 3HD1 ILE 90 9.092 10.560 5.360 726 HD12 ILE 90 1HD1 ILE 90 10.316 11.447 6.266 727 HD13 ILE 90 2HD1 ILE 90 10.757 10.602 4.782 728 H SER 91 H SER 91 12.048 14.227 1.324 729 HA SER 91 HA SER 91 10.036 13.501 -0.623 730 HB2 SER 91 2HB SER 91 13.058 13.512 -0.909 731 HB3 SER 91 3HB SER 91 11.885 13.437 -2.225 732 HG SER 91 HG SER 91 12.866 15.574 -1.603 733 H MET 92 H MET 92 9.552 11.623 1.028 734 HA MET 92 HA MET 92 9.236 9.377 1.211 735 HB2 MET 92 2HB MET 92 9.163 9.538 -1.286 736 HB3 MET 92 3HB MET 92 10.873 9.142 -1.323 737 HG2 MET 92 2HG MET 92 10.389 6.968 -0.303 738 HG3 MET 92 3HG MET 92 8.674 7.374 -0.263 739 HE1 MET 92 3HE MET 92 11.343 8.126 -3.098 740 HE2 MET 92 1HE MET 92 11.101 6.723 -4.141 741 HE3 MET 92 2HE MET 92 11.762 6.513 -2.520 742 H ALA 93 H ALA 93 12.149 10.756 1.716 743 HA ALA 93 HA ALA 93 14.079 8.759 1.593 744 HB1 ALA 93 3HB ALA 93 13.955 11.017 3.593 745 HB2 ALA 93 1HB ALA 93 14.561 11.144 1.942 746 HB3 ALA 93 2HB ALA 93 15.394 10.118 3.109 747 H GLU 94 H GLU 94 12.388 9.759 4.615 748 HA GLU 94 HA GLU 94 13.404 7.607 6.138 749 HB2 GLU 94 2HB GLU 94 10.940 9.294 6.631 750 HB3 GLU 94 3HB GLU 94 11.687 8.225 7.811 751 HG2 GLU 94 2HG GLU 94 13.723 9.561 7.764 752 HG3 GLU 94 3HG GLU 94 13.018 10.618 6.542 753 H ALA 95 H ALA 95 10.552 7.909 4.135 754 HA ALA 95 HA ALA 95 9.016 5.775 5.019 755 HB1 ALA 95 3HB ALA 95 8.269 7.417 3.346 756 HB2 ALA 95 1HB ALA 95 8.001 5.757 2.810 757 HB3 ALA 95 2HB ALA 95 9.352 6.688 2.160 758 H GLN 96 H GLN 96 11.550 5.724 2.487 759 HA GLN 96 HA GLN 96 11.463 2.923 2.069 760 HB2 GLN 96 2HB GLN 96 13.555 5.011 1.459 761 HB3 GLN 96 3HB GLN 96 13.786 3.321 1.044 762 HG2 GLN 96 2HG GLN 96 11.341 4.775 0.116 763 HG3 GLN 96 3HG GLN 96 12.873 4.983 -0.726 764 HE21 GLN 96 1HE2 GLN 96 11.911 1.925 0.741 765 HE22 GLN 96 2HE2 GLN 96 11.672 1.093 -0.743 766 H GLY 97 H GLY 97 13.030 4.851 4.487 767 HA2 GLY 97 2HA GLY 97 14.949 2.852 5.285 768 HA3 GLY 97 3HA GLY 97 14.554 4.326 6.154 769 H LYS 98 H LYS 98 11.755 3.866 6.440 770 HA LYS 98 HA LYS 98 11.819 2.018 8.667 771 HB2 LYS 98 2HB LYS 98 10.673 4.267 8.723 772 HB3 LYS 98 3HB LYS 98 9.463 3.618 7.628 773 HG2 LYS 98 2HG LYS 98 10.015 2.280 10.259 774 HG3 LYS 98 3HG LYS 98 8.973 3.699 10.165 775 HD2 LYS 98 2HD LYS 98 7.504 2.534 8.591 776 HD3 LYS 98 3HD LYS 98 8.561 1.125 8.632 777 HE2 LYS 98 2HE LYS 98 7.121 2.245 11.036 778 HE3 LYS 98 3HE LYS 98 6.531 0.904 10.057 779 HZ1 LYS 98 3HZ LYS 98 9.052 0.965 11.624 780 HZ2 LYS 98 1HZ LYS 98 8.573 -0.311 10.617 781 HZ3 LYS 98 2HZ LYS 98 7.658 0.076 11.985 782 H PHE 99 H PHE 99 10.418 2.116 5.422 783 HA PHE 99 HA PHE 99 9.292 -0.586 5.869 784 HB2 PHE 99 2HB PHE 99 8.516 1.467 3.779 785 HB3 PHE 99 3HB PHE 99 7.805 -0.130 3.951 786 HD1 PHE 99 HD2 PHE 99 6.480 -0.656 6.031 787 HD2 PHE 99 HD1 PHE 99 7.741 3.292 5.041 788 HE1 PHE 99 HE2 PHE 99 4.784 0.265 7.559 789 HE2 PHE 99 HE1 PHE 99 6.050 4.218 6.569 790 HZ PHE 99 HZ PHE 99 4.569 2.708 7.830 791 HA PRO 100 HA PRO 100 12.864 -1.130 2.893 792 HB2 PRO 100 2HB PRO 100 13.799 -3.452 3.953 793 HB3 PRO 100 3HB PRO 100 14.258 -1.866 4.586 794 HG2 PRO 100 2HG PRO 100 12.174 -3.774 5.601 795 HG3 PRO 100 3HG PRO 100 13.393 -2.864 6.516 796 HD2 PRO 100 2HD PRO 100 10.819 -2.049 6.339 797 HD3 PRO 100 3HD PRO 100 12.168 -0.899 6.435 798 H GLU 101 H GLU 101 10.361 -3.288 4.051 799 HA GLU 101 HA GLU 101 10.608 -5.147 1.844 800 HB2 GLU 101 2HB GLU 101 8.491 -4.962 4.002 801 HB3 GLU 101 3HB GLU 101 8.743 -6.321 2.913 802 HG2 GLU 101 2HG GLU 101 10.944 -6.716 3.902 803 HG3 GLU 101 3HG GLU 101 10.712 -5.338 4.978 804 H VAL 102 H VAL 102 9.214 -2.126 2.138 805 HA VAL 102 HA VAL 102 7.007 -2.752 0.281 806 HB VAL 102 HB VAL 102 7.486 -0.237 1.905 807 HG11 VAL 102 1HG1 VAL 102 5.159 -0.998 0.133 808 HG12 VAL 102 2HG1 VAL 102 6.338 0.277 -0.177 809 HG13 VAL 102 3HG1 VAL 102 5.224 0.417 1.184 810 HG21 VAL 102 3HG2 VAL 102 5.477 -2.471 2.273 811 HG22 VAL 102 1HG2 VAL 102 5.507 -0.967 3.194 812 HG23 VAL 102 2HG2 VAL 102 6.846 -2.107 3.326 813 H VAL 103 H VAL 103 7.092 -2.114 -1.802 814 HA VAL 103 HA VAL 103 9.538 -0.820 -2.719 815 HB VAL 103 HB VAL 103 7.254 -1.981 -4.339 816 HG11 VAL 103 1HG1 VAL 103 10.032 -1.125 -5.168 817 HG12 VAL 103 2HG1 VAL 103 8.519 -0.332 -5.606 818 HG13 VAL 103 3HG1 VAL 103 8.869 -1.955 -6.203 819 HG21 VAL 103 3HG2 VAL 103 8.752 -3.906 -4.690 820 HG22 VAL 103 1HG2 VAL 103 8.339 -3.698 -2.989 821 HG23 VAL 103 2HG2 VAL 103 9.922 -3.192 -3.580 822 H PHE 104 H PHE 104 9.437 1.360 -2.413 823 HA PHE 104 HA PHE 104 7.066 2.859 -3.164 824 HB2 PHE 104 2HB PHE 104 9.762 3.741 -2.108 825 HB3 PHE 104 3HB PHE 104 8.453 4.850 -2.494 826 HD1 PHE 104 HD1 PHE 104 9.523 2.147 -0.228 827 HD2 PHE 104 HD2 PHE 104 6.590 5.129 -1.029 828 HE1 PHE 104 HE1 PHE 104 8.604 1.844 2.030 829 HE2 PHE 104 HE2 PHE 104 5.669 4.831 1.233 830 HZ PHE 104 HZ PHE 104 6.676 3.188 2.766 831 H SER 105 H SER 105 6.867 4.207 -4.934 832 HA SER 105 HA SER 105 9.006 4.017 -6.966 833 HB2 SER 105 2HB SER 105 6.009 4.038 -7.447 834 HB3 SER 105 3HB SER 105 7.247 4.002 -8.701 835 HG SER 105 HG SER 105 6.798 2.014 -6.713 836 H GLY 106 H GLY 106 9.942 5.941 -7.140 837 HA2 GLY 106 2HA GLY 106 8.209 8.335 -7.380 838 HA3 GLY 106 3HA GLY 106 9.743 8.372 -6.523 839 H SER 107 H SER 107 9.816 10.221 -8.251 840 HA SER 107 HA SER 107 11.606 9.224 -10.323 841 HB2 SER 107 2HB SER 107 9.352 9.300 -11.406 842 HB3 SER 107 3HB SER 107 9.288 11.033 -11.074 843 HG SER 107 HG SER 107 10.144 10.998 -13.050 844 H ASN 108 H ASN 108 13.386 10.292 -9.770 845 HA ASN 108 HA ASN 108 13.268 13.021 -8.750 846 HB2 ASN 108 2HB ASN 108 14.742 11.268 -7.721 847 HB3 ASN 108 3HB ASN 108 15.690 11.246 -9.202 848 HD21 ASN 108 1HD2 ASN 108 16.548 11.889 -6.522 849 HD22 ASN 108 2HD2 ASN 108 17.161 13.503 -6.569 850 H LEU 109 H LEU 109 14.895 11.305 -11.436 851 HA LEU 109 HA LEU 109 15.679 13.834 -12.657 852 HB2 LEU 109 2HB LEU 109 16.162 10.968 -13.498 853 HB3 LEU 109 3HB LEU 109 16.746 12.361 -14.385 854 HG LEU 109 HG LEU 109 18.031 13.013 -12.289 855 HD11 LEU 109 1HD1 LEU 109 16.812 11.662 -10.671 856 HD12 LEU 109 2HD1 LEU 109 18.522 11.234 -10.684 857 HD13 LEU 109 3HD1 LEU 109 17.345 10.187 -11.477 858 HD21 LEU 109 3HD2 LEU 109 19.849 11.433 -12.748 859 HD22 LEU 109 1HD2 LEU 109 19.117 12.034 -14.236 860 HD23 LEU 109 2HD2 LEU 109 18.734 10.412 -13.657 861 H GLU 110 H GLU 110 15.257 14.235 -14.970 862 HA GLU 110 HA GLU 110 12.522 13.635 -15.722 863 HB2 GLU 110 2HB GLU 110 14.694 15.241 -17.093 864 HB3 GLU 110 3HB GLU 110 13.044 15.089 -17.692 865 HG2 GLU 110 2HG GLU 110 12.173 16.204 -15.753 866 HG3 GLU 110 3HG GLU 110 13.762 16.205 -14.986 867 H HIS 111 H HIS 111 12.107 11.681 -16.572 868 HA HIS 111 HA HIS 111 13.760 10.667 -18.769 869 HB2 HIS 111 2HB HIS 111 14.001 8.450 -17.735 870 HB3 HIS 111 3HB HIS 111 14.761 9.688 -16.743 871 HD1 HIS 111 HD1 HIS 111 12.088 7.129 -16.707 872 HD2 HIS 111 HD2 HIS 111 13.389 10.254 -14.299 873 HE1 HIS 111 HE1 HIS 111 10.944 6.800 -14.502 874 HE2 HIS 111 HE2 HIS 111 11.615 8.791 -13.123 875 H HIS 112 H HIS 112 12.699 8.233 -19.202 876 HA HIS 112 HA HIS 112 9.812 8.730 -19.575 877 HB2 HIS 112 2HB HIS 112 11.575 6.702 -20.975 878 HB3 HIS 112 3HB HIS 112 9.908 7.100 -21.377 879 HD1 HIS 112 HD1 HIS 112 13.415 8.320 -21.777 880 HD2 HIS 112 HD2 HIS 112 9.564 9.490 -22.821 881 HE1 HIS 112 HE1 HIS 112 13.704 10.158 -23.461 882 HE2 HIS 112 HE2 HIS 112 11.369 10.957 -23.956 883 H HIS 113 H HIS 113 8.301 7.303 -18.767 884 HA HIS 113 HA HIS 113 9.152 5.290 -16.880 885 HB2 HIS 113 2HB HIS 113 7.121 6.669 -16.500 886 HB3 HIS 113 3HB HIS 113 6.365 5.915 -17.898 887 HD1 HIS 113 HD1 HIS 113 5.231 3.685 -17.537 888 HD2 HIS 113 HD2 HIS 113 7.512 4.870 -14.270 889 HE1 HIS 113 HE1 HIS 113 4.671 2.068 -15.705 890 HE2 HIS 113 HE2 HIS 113 6.226 2.669 -13.823 891 H HIS 114 H HIS 114 7.916 5.391 -20.151 892 HA HIS 114 HA HIS 114 7.662 2.515 -20.399 893 HB2 HIS 114 2HB HIS 114 6.143 3.993 -21.618 894 HB3 HIS 114 3HB HIS 114 7.498 4.746 -22.448 895 HD1 HIS 114 HD1 HIS 114 8.162 3.725 -24.637 896 HD2 HIS 114 HD2 HIS 114 5.754 1.199 -22.382 897 HE1 HIS 114 HE1 HIS 114 7.636 1.783 -26.136 898 HE2 HIS 114 HE2 HIS 114 6.363 0.181 -24.682 899 H HIS 115 H HIS 115 9.071 1.133 -21.505 900 HA HIS 115 HA HIS 115 11.811 1.786 -21.571 901 HB2 HIS 115 2HB HIS 115 10.237 -0.524 -22.693 902 HB3 HIS 115 3HB HIS 115 11.975 -0.397 -22.946 903 HD1 HIS 115 HD1 HIS 115 13.237 0.120 -20.432 904 HD2 HIS 115 HD2 HIS 115 9.711 -2.071 -20.547 905 HE1 HIS 115 HE1 HIS 115 13.204 -1.205 -18.304 906 HE2 HIS 115 HE2 HIS 115 11.170 -2.664 -18.494 907 H HIS 116 H HIS 116 13.265 1.829 -23.370 908 HA HIS 116 HA HIS 116 12.085 3.094 -25.758 909 HB2 HIS 116 2HB HIS 116 14.464 4.039 -26.051 910 HB3 HIS 116 3HB HIS 116 13.470 4.704 -24.763 911 HD1 HIS 116 HD1 HIS 116 16.450 2.478 -25.323 912 HD2 HIS 116 HD2 HIS 116 14.455 4.339 -22.190 913 HE1 HIS 116 HE1 HIS 116 17.965 2.251 -23.336 914 HE2 HIS 116 HE2 HIS 116 16.811 3.519 -21.502 Start of MODEL 12 1 H1 MET 1 1H MET 1 5.961 -38.694 -7.376 2 H2 MET 1 2H MET 1 4.336 -39.129 -7.228 3 H3 MET 1 3H MET 1 5.464 -39.687 -6.103 4 HA MET 1 HA MET 1 4.135 -37.896 -5.188 5 HB2 MET 1 2HB MET 1 7.034 -37.206 -5.704 6 HB3 MET 1 3HB MET 1 6.027 -36.403 -4.509 7 HG2 MET 1 2HG MET 1 5.741 -38.522 -3.324 8 HG3 MET 1 3HG MET 1 6.759 -39.328 -4.518 9 HE1 MET 1 3HE MET 1 9.351 -38.846 -4.820 10 HE2 MET 1 1HE MET 1 10.235 -37.623 -3.904 11 HE3 MET 1 2HE MET 1 9.002 -37.136 -5.068 12 H ALA 2 H ALA 2 2.709 -36.462 -5.955 13 HA ALA 2 HA ALA 2 3.507 -34.625 -8.123 14 HB1 ALA 2 3HB ALA 2 1.107 -34.278 -8.481 15 HB2 ALA 2 1HB ALA 2 0.749 -35.356 -7.131 16 HB3 ALA 2 2HB ALA 2 1.534 -35.986 -8.579 17 H ALA 3 H ALA 3 2.553 -32.387 -7.993 18 HA ALA 3 HA ALA 3 1.838 -31.315 -5.430 19 HB1 ALA 3 3HB ALA 3 3.791 -29.929 -5.042 20 HB2 ALA 3 1HB ALA 3 4.573 -30.580 -6.482 21 HB3 ALA 3 2HB ALA 3 4.262 -31.626 -5.098 22 H SER 4 H SER 4 3.627 -30.060 -8.258 23 HA SER 4 HA SER 4 3.319 -28.250 -9.588 24 HB2 SER 4 2HB SER 4 1.488 -29.657 -10.482 25 HB3 SER 4 3HB SER 4 0.375 -28.929 -9.321 26 HG SER 4 HG SER 4 0.077 -27.601 -10.957 27 H THR 5 H THR 5 0.201 -27.627 -8.067 28 HA THR 5 HA THR 5 -0.602 -25.975 -6.745 29 HB THR 5 HB THR 5 2.202 -25.861 -5.611 30 HG1 THR 5 HG1 THR 5 0.915 -27.945 -5.626 31 HG21 THR 5 3HG2 THR 5 1.089 -25.017 -3.577 32 HG22 THR 5 1HG2 THR 5 -0.451 -24.998 -4.436 33 HG23 THR 5 2HG2 THR 5 0.854 -23.928 -4.945 34 H VAL 6 H VAL 6 -1.204 -24.146 -7.738 35 HA VAL 6 HA VAL 6 0.531 -22.374 -9.107 36 HB VAL 6 HB VAL 6 -1.807 -22.422 -9.682 37 HG11 VAL 6 1HG1 VAL 6 -2.746 -23.006 -7.509 38 HG12 VAL 6 2HG1 VAL 6 -3.577 -21.610 -8.196 39 HG13 VAL 6 3HG1 VAL 6 -2.395 -21.385 -6.904 40 HG21 VAL 6 3HG2 VAL 6 -0.645 -20.310 -10.071 41 HG22 VAL 6 1HG2 VAL 6 -1.099 -19.744 -8.464 42 HG23 VAL 6 2HG2 VAL 6 -2.341 -20.023 -9.684 43 H HIS 7 H HIS 7 2.238 -22.114 -7.550 44 HA HIS 7 HA HIS 7 1.763 -20.896 -4.998 45 HB2 HIS 7 2HB HIS 7 3.651 -22.488 -5.550 46 HB3 HIS 7 3HB HIS 7 4.419 -21.165 -6.421 47 HD1 HIS 7 HD1 HIS 7 5.480 -19.272 -5.008 48 HD2 HIS 7 HD2 HIS 7 3.715 -22.283 -2.753 49 HE1 HIS 7 HE1 HIS 7 6.289 -18.917 -2.662 50 HE2 HIS 7 HE2 HIS 7 5.407 -20.895 -1.383 51 H THR 8 H THR 8 0.690 -18.951 -5.497 52 HA THR 8 HA THR 8 2.268 -16.862 -6.864 53 HB THR 8 HB THR 8 -0.682 -16.851 -6.138 54 HG1 THR 8 HG1 THR 8 -0.002 -18.326 -7.869 55 HG21 THR 8 3HG2 THR 8 0.939 -14.930 -7.826 56 HG22 THR 8 1HG2 THR 8 0.263 -14.587 -6.232 57 HG23 THR 8 2HG2 THR 8 -0.809 -14.876 -7.603 58 H SER 9 H SER 9 3.042 -15.123 -5.766 59 HA SER 9 HA SER 9 2.151 -14.720 -2.967 60 HB2 SER 9 2HB SER 9 4.533 -15.353 -3.136 61 HB3 SER 9 3HB SER 9 4.823 -13.978 -4.199 62 HG SER 9 HG SER 9 5.331 -13.163 -2.275 63 H PHE 10 H PHE 10 2.747 -12.281 -2.298 64 HA PHE 10 HA PHE 10 1.665 -10.504 -4.396 65 HB2 PHE 10 2HB PHE 10 0.707 -10.603 -1.520 66 HB3 PHE 10 3HB PHE 10 0.161 -9.464 -2.747 67 HD1 PHE 10 HD1 PHE 10 -1.245 -10.233 -4.621 68 HD2 PHE 10 HD2 PHE 10 -0.102 -12.862 -1.468 69 HE1 PHE 10 HE1 PHE 10 -2.999 -11.821 -5.306 70 HE2 PHE 10 HE2 PHE 10 -1.850 -14.448 -2.153 71 HZ PHE 10 HZ PHE 10 -3.301 -13.930 -4.071 72 H ILE 11 H ILE 11 2.604 -8.530 -4.540 73 HA ILE 11 HA ILE 11 4.493 -7.717 -2.400 74 HB ILE 11 HB ILE 11 4.725 -7.118 -5.362 75 HG12 ILE 11 2HG1 ILE 11 6.319 -9.023 -3.626 76 HG13 ILE 11 3HG1 ILE 11 5.184 -9.479 -4.890 77 HG21 ILE 11 1HG2 ILE 11 5.651 -5.334 -3.986 78 HG22 ILE 11 2HG2 ILE 11 6.943 -6.223 -4.791 79 HG23 ILE 11 3HG2 ILE 11 6.614 -6.507 -3.081 80 HD11 ILE 11 3HD1 ILE 11 6.635 -8.400 -6.552 81 HD12 ILE 11 1HD1 ILE 11 7.449 -9.697 -5.680 82 HD13 ILE 11 2HD1 ILE 11 7.787 -8.015 -5.272 83 H LEU 12 H LEU 12 4.182 -5.722 -1.508 84 HA LEU 12 HA LEU 12 2.052 -4.027 -2.595 85 HB2 LEU 12 2HB LEU 12 1.966 -4.573 -0.211 86 HB3 LEU 12 3HB LEU 12 3.555 -3.865 0.022 87 HG LEU 12 HG LEU 12 2.548 -1.658 -0.771 88 HD11 LEU 12 1HD1 LEU 12 0.551 -2.556 -1.839 89 HD12 LEU 12 2HD1 LEU 12 0.127 -1.411 -0.566 90 HD13 LEU 12 3HD1 LEU 12 -0.033 -3.145 -0.279 91 HD21 LEU 12 3HD2 LEU 12 3.064 -2.153 1.582 92 HD22 LEU 12 1HD2 LEU 12 1.446 -2.831 1.780 93 HD23 LEU 12 2HD2 LEU 12 1.646 -1.119 1.409 94 H LYS 13 H LYS 13 2.424 -2.186 -3.656 95 HA LYS 13 HA LYS 13 5.075 -0.903 -3.436 96 HB2 LYS 13 2HB LYS 13 3.161 -0.852 -5.780 97 HB3 LYS 13 3HB LYS 13 4.702 -0.006 -5.702 98 HG2 LYS 13 2HG LYS 13 5.885 -2.127 -5.573 99 HG3 LYS 13 3HG LYS 13 4.347 -2.996 -5.589 100 HD2 LYS 13 2HD LYS 13 5.463 -1.255 -7.791 101 HD3 LYS 13 3HD LYS 13 5.333 -3.017 -7.803 102 HE2 LYS 13 2HE LYS 13 2.816 -2.661 -7.479 103 HE3 LYS 13 3HE LYS 13 3.121 -0.976 -7.905 104 HZ1 LYS 13 3HZ LYS 13 2.482 -2.144 -9.857 105 HZ2 LYS 13 1HZ LYS 13 3.614 -3.371 -9.581 106 HZ3 LYS 13 2HZ LYS 13 4.133 -1.812 -9.993 107 H VAL 14 H VAL 14 5.183 1.296 -3.133 108 HA VAL 14 HA VAL 14 2.639 2.749 -2.776 109 HB VAL 14 HB VAL 14 5.181 3.087 -1.159 110 HG11 VAL 14 1HG1 VAL 14 4.027 5.222 -1.527 111 HG12 VAL 14 2HG1 VAL 14 3.928 4.717 0.159 112 HG13 VAL 14 3HG1 VAL 14 2.531 4.525 -0.903 113 HG21 VAL 14 3HG2 VAL 14 3.846 2.279 0.731 114 HG22 VAL 14 1HG2 VAL 14 3.933 1.069 -0.551 115 HG23 VAL 14 2HG2 VAL 14 2.467 2.028 -0.340 116 H LEU 15 H LEU 15 2.429 4.238 -4.315 117 HA LEU 15 HA LEU 15 4.747 5.420 -5.621 118 HB2 LEU 15 2HB LEU 15 2.427 4.675 -6.663 119 HB3 LEU 15 3HB LEU 15 1.921 6.275 -6.166 120 HG LEU 15 HG LEU 15 4.183 5.655 -8.081 121 HD11 LEU 15 1HD1 LEU 15 1.430 6.780 -8.588 122 HD12 LEU 15 2HD1 LEU 15 2.011 5.180 -9.051 123 HD13 LEU 15 3HD1 LEU 15 2.716 6.619 -9.786 124 HD21 LEU 15 3HD2 LEU 15 4.211 8.076 -8.517 125 HD22 LEU 15 1HD2 LEU 15 4.649 7.694 -6.852 126 HD23 LEU 15 2HD2 LEU 15 3.039 8.314 -7.219 127 H TRP 16 H TRP 16 5.721 6.819 -4.225 128 HA TRP 16 HA TRP 16 4.173 8.579 -2.509 129 HB2 TRP 16 2HB TRP 16 6.260 7.339 -1.787 130 HB3 TRP 16 3HB TRP 16 7.184 8.425 -2.814 131 HD1 TRP 16 HD1 TRP 16 7.123 11.109 -2.052 132 HE1 TRP 16 HE1 TRP 16 6.997 12.114 0.314 133 HE3 TRP 16 HE3 TRP 16 5.372 7.026 0.479 134 HZ2 TRP 16 HZ2 TRP 16 6.262 11.286 2.912 135 HZ3 TRP 16 HZ3 TRP 16 4.986 7.214 2.904 136 HH2 TRP 16 HH2 TRP 16 5.422 9.301 4.095 137 H LEU 17 H LEU 17 3.487 10.525 -3.198 138 HA LEU 17 HA LEU 17 5.050 11.957 -5.262 139 HB2 LEU 17 2HB LEU 17 2.108 12.107 -4.582 140 HB3 LEU 17 3HB LEU 17 2.908 13.179 -5.718 141 HG LEU 17 HG LEU 17 2.661 10.178 -6.027 142 HD11 LEU 17 1HD1 LEU 17 1.218 12.416 -7.451 143 HD12 LEU 17 2HD1 LEU 17 0.513 11.301 -6.280 144 HD13 LEU 17 3HD1 LEU 17 1.096 10.697 -7.830 145 HD21 LEU 17 3HD2 LEU 17 4.699 11.068 -7.054 146 HD22 LEU 17 1HD2 LEU 17 3.744 12.266 -7.928 147 HD23 LEU 17 2HD2 LEU 17 3.543 10.547 -8.278 148 H ASP 18 H ASP 18 4.246 14.457 -5.109 149 HA ASP 18 HA ASP 18 5.509 15.505 -2.788 150 HB2 ASP 18 2HB ASP 18 5.613 16.559 -5.021 151 HB3 ASP 18 3HB ASP 18 3.894 16.918 -4.928 152 H GLN 19 H GLN 19 2.108 15.603 -3.894 153 HA GLN 19 HA GLN 19 1.298 16.499 -1.196 154 HB2 GLN 19 2HB GLN 19 -0.245 16.649 -3.798 155 HB3 GLN 19 3HB GLN 19 -0.776 17.285 -2.249 156 HG2 GLN 19 2HG GLN 19 1.029 18.903 -2.257 157 HG3 GLN 19 3HG GLN 19 1.646 18.233 -3.768 158 HE21 GLN 19 1HE2 GLN 19 1.408 20.184 -4.869 159 HE22 GLN 19 2HE2 GLN 19 -0.140 20.804 -5.321 160 H ASN 20 H ASN 20 1.284 13.745 -3.182 161 HA ASN 20 HA ASN 20 -0.965 12.569 -1.679 162 HB2 ASN 20 2HB ASN 20 -0.494 12.184 -4.646 163 HB3 ASN 20 3HB ASN 20 -1.769 11.433 -3.694 164 HD21 ASN 20 1HD2 ASN 20 -2.217 13.948 -2.162 165 HD22 ASN 20 2HD2 ASN 20 -3.067 14.987 -3.249 166 H VAL 21 H VAL 21 -1.050 10.164 -1.880 167 HA VAL 21 HA VAL 21 1.478 8.810 -2.427 168 HB VAL 21 HB VAL 21 1.858 9.352 -0.144 169 HG11 VAL 21 1HG1 VAL 21 -0.938 8.389 0.460 170 HG12 VAL 21 2HG1 VAL 21 -0.392 10.066 0.445 171 HG13 VAL 21 3HG1 VAL 21 0.243 8.944 1.648 172 HG21 VAL 21 3HG2 VAL 21 1.880 7.201 0.990 173 HG22 VAL 21 1HG2 VAL 21 2.333 7.003 -0.703 174 HG23 VAL 21 2HG2 VAL 21 0.713 6.555 -0.163 175 H ALA 22 H ALA 22 0.975 7.057 -3.606 176 HA ALA 22 HA ALA 22 -1.742 5.924 -3.364 177 HB1 ALA 22 3HB ALA 22 -1.524 5.195 -5.663 178 HB2 ALA 22 1HB ALA 22 0.143 5.768 -5.715 179 HB3 ALA 22 2HB ALA 22 -1.179 6.921 -5.545 180 H ILE 23 H ILE 23 -2.049 3.640 -3.491 181 HA ILE 23 HA ILE 23 0.360 1.991 -3.020 182 HB ILE 23 HB ILE 23 -0.962 0.595 -1.434 183 HG12 ILE 23 2HG1 ILE 23 -2.972 2.861 -1.646 184 HG13 ILE 23 3HG1 ILE 23 -3.224 1.198 -2.165 185 HG21 ILE 23 1HG2 ILE 23 0.609 2.252 -0.597 186 HG22 ILE 23 2HG2 ILE 23 -0.791 2.145 0.468 187 HG23 ILE 23 3HG2 ILE 23 -0.638 3.498 -0.655 188 HD11 ILE 23 3HD1 ILE 23 -2.810 2.133 0.663 189 HD12 ILE 23 1HD1 ILE 23 -3.027 0.457 0.157 190 HD13 ILE 23 2HD1 ILE 23 -4.332 1.623 -0.066 191 H ALA 24 H ALA 24 0.309 -0.137 -3.793 192 HA ALA 24 HA ALA 24 -2.026 -1.206 -5.137 193 HB1 ALA 24 3HB ALA 24 -1.093 0.295 -6.856 194 HB2 ALA 24 1HB ALA 24 -1.008 -1.400 -7.341 195 HB3 ALA 24 2HB ALA 24 0.441 -0.572 -6.767 196 H VAL 25 H VAL 25 -1.581 -3.439 -6.035 197 HA VAL 25 HA VAL 25 0.728 -4.742 -4.726 198 HB VAL 25 HB VAL 25 -2.123 -5.774 -4.687 199 HG11 VAL 25 1HG1 VAL 25 -0.534 -7.608 -4.976 200 HG12 VAL 25 2HG1 VAL 25 -1.241 -7.646 -3.361 201 HG13 VAL 25 3HG1 VAL 25 0.398 -7.037 -3.593 202 HG21 VAL 25 3HG2 VAL 25 -1.968 -5.533 -2.258 203 HG22 VAL 25 1HG2 VAL 25 -1.718 -3.981 -3.059 204 HG23 VAL 25 2HG2 VAL 25 -0.339 -4.874 -2.415 205 H ASP 26 H ASP 26 1.811 -6.185 -5.958 206 HA ASP 26 HA ASP 26 0.620 -7.054 -8.522 207 HB2 ASP 26 2HB ASP 26 3.523 -7.164 -7.649 208 HB3 ASP 26 3HB ASP 26 2.903 -7.605 -9.235 209 H GLN 27 H GLN 27 0.618 -9.254 -9.107 210 HA GLN 27 HA GLN 27 1.014 -11.148 -6.889 211 HB2 GLN 27 2HB GLN 27 -0.409 -12.688 -8.120 212 HB3 GLN 27 3HB GLN 27 -1.217 -11.140 -7.931 213 HG2 GLN 27 2HG GLN 27 -0.662 -10.556 -10.237 214 HG3 GLN 27 3HG GLN 27 0.172 -12.096 -10.433 215 HE21 GLN 27 1HE2 GLN 27 -1.069 -14.017 -10.481 216 HE22 GLN 27 2HE2 GLN 27 -2.757 -13.982 -10.839 217 H ILE 28 H ILE 28 2.702 -12.510 -6.901 218 HA ILE 28 HA ILE 28 4.541 -12.539 -9.130 219 HB ILE 28 HB ILE 28 4.657 -14.123 -6.550 220 HG12 ILE 28 2HG1 ILE 28 5.960 -11.492 -7.325 221 HG13 ILE 28 3HG1 ILE 28 4.701 -11.711 -6.114 222 HG21 ILE 28 1HG2 ILE 28 7.046 -14.406 -7.085 223 HG22 ILE 28 2HG2 ILE 28 6.792 -13.595 -8.630 224 HG23 ILE 28 3HG2 ILE 28 6.008 -15.140 -8.306 225 HD11 ILE 28 3HD1 ILE 28 6.842 -11.425 -5.048 226 HD12 ILE 28 1HD1 ILE 28 7.522 -12.759 -5.979 227 HD13 ILE 28 2HD1 ILE 28 6.268 -13.071 -4.781 228 H VAL 29 H VAL 29 3.694 -13.614 -10.856 229 HA VAL 29 HA VAL 29 2.477 -16.244 -10.551 230 HB VAL 29 HB VAL 29 3.068 -14.819 -13.154 231 HG11 VAL 29 1HG1 VAL 29 0.946 -16.835 -12.410 232 HG12 VAL 29 2HG1 VAL 29 2.407 -17.166 -13.342 233 HG13 VAL 29 3HG1 VAL 29 1.164 -16.099 -13.999 234 HG21 VAL 29 3HG2 VAL 29 0.638 -14.469 -11.390 235 HG22 VAL 29 1HG2 VAL 29 0.811 -13.843 -13.030 236 HG23 VAL 29 2HG2 VAL 29 1.860 -13.247 -11.744 237 H GLY 30 H GLY 30 3.232 -18.070 -11.968 238 HA2 GLY 30 2HA GLY 30 5.960 -18.651 -11.527 239 HA3 GLY 30 3HA GLY 30 4.862 -19.588 -12.521 240 H LYS 31 H LYS 31 4.823 -16.555 -13.844 241 HA LYS 31 HA LYS 31 7.221 -17.009 -15.506 242 HB2 LYS 31 2HB LYS 31 4.468 -16.211 -16.484 243 HB3 LYS 31 3HB LYS 31 5.916 -16.225 -17.481 244 HG2 LYS 31 2HG LYS 31 6.133 -18.637 -17.148 245 HG3 LYS 31 3HG LYS 31 4.696 -18.629 -16.127 246 HD2 LYS 31 2HD LYS 31 4.129 -19.386 -18.366 247 HD3 LYS 31 3HD LYS 31 3.357 -17.835 -18.036 248 HE2 LYS 31 2HE LYS 31 5.106 -16.689 -19.316 249 HE3 LYS 31 3HE LYS 31 5.898 -18.235 -19.627 250 HZ1 LYS 31 3HZ LYS 31 4.543 -17.524 -21.501 251 HZ2 LYS 31 1HZ LYS 31 3.166 -17.493 -20.521 252 HZ3 LYS 31 2HZ LYS 31 3.944 -18.960 -20.837 253 H GLY 32 H GLY 32 6.159 -15.029 -13.264 254 HA2 GLY 32 2HA GLY 32 7.621 -12.932 -13.218 255 HA3 GLY 32 3HA GLY 32 6.759 -12.513 -14.690 256 H THR 33 H THR 33 6.696 -10.758 -12.642 257 HA THR 33 HA THR 33 4.291 -11.165 -11.049 258 HB THR 33 HB THR 33 4.788 -8.968 -10.044 259 HG1 THR 33 HG1 THR 33 7.204 -8.881 -11.534 260 HG21 THR 33 3HG2 THR 33 6.897 -9.568 -8.943 261 HG22 THR 33 1HG2 THR 33 7.207 -10.777 -10.190 262 HG23 THR 33 2HG2 THR 33 5.835 -10.970 -9.098 263 H SER 34 H SER 34 2.350 -10.189 -11.345 264 HA SER 34 HA SER 34 2.077 -8.253 -13.567 265 HB2 SER 34 2HB SER 34 1.235 -10.481 -14.273 266 HB3 SER 34 3HB SER 34 0.124 -10.480 -12.902 267 HG SER 34 HG SER 34 -0.088 -9.226 -15.326 268 HA PRO 35 HA PRO 35 0.175 -5.643 -10.518 269 HB2 PRO 35 2HB PRO 35 -1.482 -4.173 -12.173 270 HB3 PRO 35 3HB PRO 35 0.243 -3.863 -11.941 271 HG2 PRO 35 2HG PRO 35 -1.138 -5.355 -14.143 272 HG3 PRO 35 3HG PRO 35 0.211 -4.207 -14.241 273 HD2 PRO 35 2HD PRO 35 0.613 -6.859 -14.394 274 HD3 PRO 35 3HD PRO 35 1.774 -5.796 -13.569 275 H LEU 36 H LEU 36 -1.229 -6.517 -9.131 276 HA LEU 36 HA LEU 36 -3.631 -7.886 -10.037 277 HB2 LEU 36 2HB LEU 36 -2.206 -8.828 -8.250 278 HB3 LEU 36 3HB LEU 36 -2.556 -7.433 -7.247 279 HG LEU 36 HG LEU 36 -4.976 -8.088 -7.285 280 HD11 LEU 36 1HD1 LEU 36 -5.569 -10.347 -7.982 281 HD12 LEU 36 2HD1 LEU 36 -3.924 -10.612 -8.562 282 HD13 LEU 36 3HD1 LEU 36 -4.951 -9.407 -9.342 283 HD21 LEU 36 3HD2 LEU 36 -4.726 -9.928 -5.685 284 HD22 LEU 36 1HD2 LEU 36 -3.557 -8.641 -5.387 285 HD23 LEU 36 2HD2 LEU 36 -3.046 -10.129 -6.183 286 H THR 37 H THR 37 -2.781 -4.989 -8.187 287 HA THR 37 HA THR 37 -5.547 -4.008 -8.552 288 HB THR 37 HB THR 37 -5.465 -2.847 -6.410 289 HG1 THR 37 HG1 THR 37 -3.659 -2.636 -5.312 290 HG21 THR 37 3HG2 THR 37 -5.522 -4.751 -4.866 291 HG22 THR 37 1HG2 THR 37 -4.719 -5.761 -6.071 292 HG23 THR 37 2HG2 THR 37 -6.341 -5.138 -6.381 293 H SER 38 H SER 38 -5.720 -1.629 -8.625 294 HA SER 38 HA SER 38 -3.448 -0.472 -10.038 295 HB2 SER 38 2HB SER 38 -5.691 -0.183 -10.995 296 HB3 SER 38 3HB SER 38 -6.215 0.660 -9.536 297 HG SER 38 HG SER 38 -4.950 1.649 -11.683 298 H TYR 39 H TYR 39 -3.130 1.990 -9.598 299 HA TYR 39 HA TYR 39 -2.208 2.172 -6.857 300 HB2 TYR 39 2HB TYR 39 -1.898 4.092 -9.182 301 HB3 TYR 39 3HB TYR 39 -1.111 4.266 -7.617 302 HD1 TYR 39 HD1 TYR 39 -1.177 2.363 -10.761 303 HD2 TYR 39 HD2 TYR 39 0.765 2.839 -6.998 304 HE1 TYR 39 HE1 TYR 39 0.683 0.964 -11.551 305 HE2 TYR 39 HE2 TYR 39 2.630 1.439 -7.782 306 HH TYR 39 HH TYR 39 3.097 0.645 -11.024 307 H PHE 40 H PHE 40 -3.703 2.692 -5.382 308 HA PHE 40 HA PHE 40 -5.808 4.626 -5.976 309 HB2 PHE 40 2HB PHE 40 -5.292 3.151 -3.383 310 HB3 PHE 40 3HB PHE 40 -6.783 3.946 -3.877 311 HD1 PHE 40 HD1 PHE 40 -7.880 3.018 -6.073 312 HD2 PHE 40 HD2 PHE 40 -5.070 0.866 -3.698 313 HE1 PHE 40 HE1 PHE 40 -8.683 0.905 -7.041 314 HE2 PHE 40 HE2 PHE 40 -5.874 -1.251 -4.663 315 HZ PHE 40 HZ PHE 40 -7.681 -1.233 -6.337 316 H PHE 41 H PHE 41 -5.466 6.748 -5.670 317 HA PHE 41 HA PHE 41 -3.102 7.639 -4.263 318 HB2 PHE 41 2HB PHE 41 -5.172 9.129 -5.882 319 HB3 PHE 41 3HB PHE 41 -3.779 9.903 -5.135 320 HD1 PHE 41 HD1 PHE 41 -4.855 7.501 -7.720 321 HD2 PHE 41 HD2 PHE 41 -1.595 9.708 -6.085 322 HE1 PHE 41 HE1 PHE 41 -3.490 6.947 -9.693 323 HE2 PHE 41 HE2 PHE 41 -0.230 9.155 -8.057 324 HZ PHE 41 HZ PHE 41 -1.176 7.775 -9.866 325 H TRP 42 H TRP 42 -3.282 7.654 -2.095 326 HA TRP 42 HA TRP 42 -5.525 8.862 -0.705 327 HB2 TRP 42 2HB TRP 42 -4.477 7.023 0.393 328 HB3 TRP 42 3HB TRP 42 -2.869 7.679 0.136 329 HD1 TRP 42 HD1 TRP 42 -1.917 9.290 1.963 330 HE1 TRP 42 HE1 TRP 42 -2.713 10.016 4.277 331 HE3 TRP 42 HE3 TRP 42 -6.736 7.582 1.728 332 HZ2 TRP 42 HZ2 TRP 42 -5.069 9.899 5.819 333 HZ3 TRP 42 HZ3 TRP 42 -8.198 7.934 3.677 334 HH2 TRP 42 HH2 TRP 42 -7.380 9.070 5.682 335 HA PRO 43 HA PRO 43 -6.128 10.010 0.822 336 HB2 PRO 43 2HB PRO 43 -6.998 12.273 1.901 337 HB3 PRO 43 3HB PRO 43 -5.529 11.500 2.511 338 HG2 PRO 43 2HG PRO 43 -5.820 13.900 0.758 339 HG3 PRO 43 3HG PRO 43 -4.622 13.571 2.021 340 HD2 PRO 43 2HD PRO 43 -4.293 13.199 -0.775 341 HD3 PRO 43 3HD PRO 43 -3.191 12.658 0.507 342 H ARG 44 H ARG 44 -5.851 11.552 -2.034 343 HA ARG 44 HA ARG 44 -8.325 12.896 -2.378 344 HB2 ARG 44 2HB ARG 44 -6.540 11.621 -4.468 345 HB3 ARG 44 3HB ARG 44 -7.835 12.766 -4.796 346 HG2 ARG 44 2HG ARG 44 -6.619 14.442 -3.404 347 HG3 ARG 44 3HG ARG 44 -5.285 13.296 -3.277 348 HD2 ARG 44 2HD ARG 44 -4.872 14.938 -5.037 349 HD3 ARG 44 3HD ARG 44 -5.030 13.316 -5.712 350 HE ARG 44 HE ARG 44 -7.541 14.328 -5.903 351 HH11 ARG 44 1HH1 ARG 44 -4.456 15.457 -6.943 352 HH12 ARG 44 2HH1 ARG 44 -5.103 16.290 -8.310 353 HH21 ARG 44 1HH2 ARG 44 -8.358 15.391 -7.653 354 HH22 ARG 44 2HH2 ARG 44 -7.289 16.241 -8.719 355 H ALA 45 H ALA 45 -7.492 9.558 -2.436 356 HA ALA 45 HA ALA 45 -10.295 8.865 -2.969 357 HB1 ALA 45 3HB ALA 45 -9.628 7.004 -4.422 358 HB2 ALA 45 1HB ALA 45 -7.941 7.510 -4.300 359 HB3 ALA 45 2HB ALA 45 -9.121 8.555 -5.091 360 H ASP 46 H ASP 46 -10.914 6.789 -2.106 361 HA ASP 46 HA ASP 46 -9.797 6.203 0.426 362 HB2 ASP 46 2HB ASP 46 -11.660 4.468 -1.222 363 HB3 ASP 46 3HB ASP 46 -11.416 4.395 0.522 364 H ALA 47 H ALA 47 -7.557 5.810 -0.073 365 HA ALA 47 HA ALA 47 -6.588 3.936 -1.894 366 HB1 ALA 47 3HB ALA 47 -5.225 5.688 -0.843 367 HB2 ALA 47 1HB ALA 47 -4.472 4.098 -0.725 368 HB3 ALA 47 2HB ALA 47 -5.277 4.800 0.679 369 H TRP 48 H TRP 48 -6.698 3.474 1.654 370 HA TRP 48 HA TRP 48 -5.978 0.740 1.506 371 HB2 TRP 48 2HB TRP 48 -5.707 2.326 3.488 372 HB3 TRP 48 3HB TRP 48 -7.410 2.045 3.827 373 HD1 TRP 48 HD1 TRP 48 -4.115 0.043 3.529 374 HE1 TRP 48 HE1 TRP 48 -4.251 -1.971 5.117 375 HE3 TRP 48 HE3 TRP 48 -8.912 0.642 5.183 376 HZ2 TRP 48 HZ2 TRP 48 -6.143 -3.158 6.842 377 HZ3 TRP 48 HZ3 TRP 48 -9.811 -0.979 6.803 378 HH2 TRP 48 HH2 TRP 48 -8.452 -2.839 7.616 379 H GLN 49 H GLN 49 -9.122 2.349 1.913 380 HA GLN 49 HA GLN 49 -10.690 0.067 2.338 381 HB2 GLN 49 2HB GLN 49 -11.484 2.361 2.724 382 HB3 GLN 49 3HB GLN 49 -11.480 2.657 0.993 383 HG2 GLN 49 2HG GLN 49 -13.730 2.242 1.788 384 HG3 GLN 49 3HG GLN 49 -13.217 0.967 0.686 385 HE21 GLN 49 1HE2 GLN 49 -12.165 1.173 4.030 386 HE22 GLN 49 2HE2 GLN 49 -13.017 -0.232 4.567 387 H GLN 50 H GLN 50 -9.929 1.714 -0.760 388 HA GLN 50 HA GLN 50 -11.376 -0.129 -2.368 389 HB2 GLN 50 2HB GLN 50 -9.107 1.741 -3.058 390 HB3 GLN 50 3HB GLN 50 -9.944 0.760 -4.253 391 HG2 GLN 50 2HG GLN 50 -12.053 1.888 -3.680 392 HG3 GLN 50 3HG GLN 50 -11.185 2.891 -2.518 393 HE21 GLN 50 1HE2 GLN 50 -9.780 4.481 -3.284 394 HE22 GLN 50 2HE2 GLN 50 -9.844 5.047 -4.914 395 H LEU 51 H LEU 51 -7.996 -0.046 -1.288 396 HA LEU 51 HA LEU 51 -7.010 -2.148 -2.856 397 HB2 LEU 51 2HB LEU 51 -5.577 -0.647 -1.542 398 HB3 LEU 51 3HB LEU 51 -6.188 -1.354 -0.058 399 HG LEU 51 HG LEU 51 -5.193 -3.531 -0.694 400 HD11 LEU 51 1HD1 LEU 51 -3.608 -3.643 -2.561 401 HD12 LEU 51 2HD1 LEU 51 -4.051 -2.004 -3.038 402 HD13 LEU 51 3HD1 LEU 51 -5.246 -3.300 -3.115 403 HD21 LEU 51 3HD2 LEU 51 -2.848 -2.904 -0.343 404 HD22 LEU 51 1HD2 LEU 51 -3.929 -2.015 0.729 405 HD23 LEU 51 2HD2 LEU 51 -3.247 -1.221 -0.690 406 H LYS 52 H LYS 52 -8.327 -2.283 0.476 407 HA LYS 52 HA LYS 52 -8.143 -5.093 0.710 408 HB2 LYS 52 2HB LYS 52 -9.614 -4.886 2.643 409 HB3 LYS 52 3HB LYS 52 -8.382 -3.633 2.665 410 HG2 LYS 52 2HG LYS 52 -10.035 -2.021 1.805 411 HG3 LYS 52 3HG LYS 52 -11.268 -3.282 1.851 412 HD2 LYS 52 2HD LYS 52 -9.715 -2.242 4.230 413 HD3 LYS 52 3HD LYS 52 -11.377 -1.811 3.819 414 HE2 LYS 52 2HE LYS 52 -10.423 -4.610 4.453 415 HE3 LYS 52 3HE LYS 52 -11.228 -3.536 5.595 416 HZ1 LYS 52 3HZ LYS 52 -12.807 -5.056 4.647 417 HZ2 LYS 52 1HZ LYS 52 -12.380 -4.606 3.075 418 HZ3 LYS 52 2HZ LYS 52 -13.150 -3.497 4.088 419 H ASP 53 H ASP 53 -10.840 -2.999 -0.332 420 HA ASP 53 HA ASP 53 -12.782 -4.991 -0.604 421 HB2 ASP 53 2HB ASP 53 -13.261 -2.573 -0.690 422 HB3 ASP 53 3HB ASP 53 -12.470 -2.476 -2.261 423 H GLU 54 H GLU 54 -10.393 -3.834 -2.983 424 HA GLU 54 HA GLU 54 -11.084 -5.518 -5.110 425 HB2 GLU 54 2HB GLU 54 -8.550 -4.170 -4.256 426 HB3 GLU 54 3HB GLU 54 -8.466 -5.372 -5.534 427 HG2 GLU 54 2HG GLU 54 -10.226 -2.924 -5.576 428 HG3 GLU 54 3HG GLU 54 -8.666 -3.073 -6.387 429 H LEU 55 H LEU 55 -8.686 -6.084 -2.524 430 HA LEU 55 HA LEU 55 -7.930 -8.670 -3.319 431 HB2 LEU 55 2HB LEU 55 -7.948 -7.461 -0.545 432 HB3 LEU 55 3HB LEU 55 -7.089 -8.922 -1.003 433 HG LEU 55 HG LEU 55 -6.535 -6.158 -2.114 434 HD11 LEU 55 1HD1 LEU 55 -5.894 -6.346 0.238 435 HD12 LEU 55 2HD1 LEU 55 -4.478 -6.247 -0.806 436 HD13 LEU 55 3HD1 LEU 55 -4.964 -7.800 -0.125 437 HD21 LEU 55 3HD2 LEU 55 -6.023 -7.899 -3.733 438 HD22 LEU 55 1HD2 LEU 55 -5.096 -8.786 -2.522 439 HD23 LEU 55 2HD2 LEU 55 -4.533 -7.214 -3.089 440 H GLU 56 H GLU 56 -10.560 -7.598 -1.200 441 HA GLU 56 HA GLU 56 -11.345 -10.229 -0.391 442 HB2 GLU 56 2HB GLU 56 -12.863 -7.607 -0.328 443 HB3 GLU 56 3HB GLU 56 -13.405 -9.095 0.443 444 HG2 GLU 56 2HG GLU 56 -11.492 -9.070 1.922 445 HG3 GLU 56 3HG GLU 56 -10.834 -7.658 1.098 446 H ALA 57 H ALA 57 -12.276 -8.087 -3.035 447 HA ALA 57 HA ALA 57 -14.475 -9.593 -4.005 448 HB1 ALA 57 3HB ALA 57 -12.563 -7.847 -5.569 449 HB2 ALA 57 1HB ALA 57 -14.008 -7.287 -4.725 450 HB3 ALA 57 2HB ALA 57 -14.160 -8.382 -6.099 451 H LYS 58 H LYS 58 -11.005 -9.776 -4.582 452 HA LYS 58 HA LYS 58 -11.207 -11.919 -6.507 453 HB2 LYS 58 2HB LYS 58 -8.743 -11.006 -5.001 454 HB3 LYS 58 3HB LYS 58 -8.801 -11.874 -6.533 455 HG2 LYS 58 2HG LYS 58 -9.710 -9.949 -7.657 456 HG3 LYS 58 3HG LYS 58 -9.872 -9.083 -6.129 457 HD2 LYS 58 2HD LYS 58 -7.341 -9.331 -5.899 458 HD3 LYS 58 3HD LYS 58 -7.343 -9.830 -7.592 459 HE2 LYS 58 2HE LYS 58 -8.220 -7.182 -6.440 460 HE3 LYS 58 3HE LYS 58 -6.870 -7.486 -7.529 461 HZ1 LYS 58 3HZ LYS 58 -8.722 -6.525 -8.711 462 HZ2 LYS 58 1HZ LYS 58 -9.750 -7.763 -8.194 463 HZ3 LYS 58 2HZ LYS 58 -8.477 -8.115 -9.247 464 H HIS 59 H HIS 59 -12.464 -13.410 -5.290 465 HA HIS 59 HA HIS 59 -12.096 -14.217 -2.684 466 HB2 HIS 59 2HB HIS 59 -13.419 -16.213 -3.244 467 HB3 HIS 59 3HB HIS 59 -14.095 -14.751 -3.953 468 HD1 HIS 59 HD1 HIS 59 -12.584 -18.030 -4.841 469 HD2 HIS 59 HD2 HIS 59 -13.926 -14.603 -6.772 470 HE1 HIS 59 HE1 HIS 59 -12.740 -18.641 -7.268 471 HE2 HIS 59 HE2 HIS 59 -13.688 -16.607 -8.388 472 H TRP 60 H TRP 60 -10.058 -15.129 -5.329 473 HA TRP 60 HA TRP 60 -9.165 -17.601 -4.147 474 HB2 TRP 60 2HB TRP 60 -7.445 -17.579 -5.957 475 HB3 TRP 60 3HB TRP 60 -9.100 -17.463 -6.536 476 HD1 TRP 60 HD1 TRP 60 -9.882 -14.931 -7.361 477 HE1 TRP 60 HE1 TRP 60 -8.493 -13.117 -8.539 478 HE3 TRP 60 HE3 TRP 60 -5.195 -16.595 -6.165 479 HZ2 TRP 60 HZ2 TRP 60 -5.769 -12.478 -8.921 480 HZ3 TRP 60 HZ3 TRP 60 -3.249 -15.326 -6.982 481 HH2 TRP 60 HH2 TRP 60 -3.530 -13.311 -8.332 482 H ILE 61 H ILE 61 -8.584 -14.440 -3.364 483 HA ILE 61 HA ILE 61 -5.873 -14.743 -2.374 484 HB ILE 61 HB ILE 61 -7.931 -12.552 -2.320 485 HG12 ILE 61 2HG1 ILE 61 -6.083 -11.220 -3.273 486 HG13 ILE 61 3HG1 ILE 61 -5.008 -12.605 -3.129 487 HG21 ILE 61 1HG2 ILE 61 -5.465 -12.569 -0.585 488 HG22 ILE 61 2HG2 ILE 61 -7.139 -12.589 -0.031 489 HG23 ILE 61 3HG2 ILE 61 -6.508 -11.176 -0.874 490 HD11 ILE 61 3HD1 ILE 61 -7.467 -12.462 -4.852 491 HD12 ILE 61 1HD1 ILE 61 -6.363 -13.831 -4.734 492 HD13 ILE 61 2HD1 ILE 61 -5.802 -12.300 -5.404 493 H ALA 62 H ALA 62 -5.276 -14.921 -0.165 494 HA ALA 62 HA ALA 62 -7.382 -16.074 1.550 495 HB1 ALA 62 3HB ALA 62 -5.398 -17.472 1.097 496 HB2 ALA 62 1HB ALA 62 -5.600 -17.117 2.814 497 HB3 ALA 62 2HB ALA 62 -4.387 -16.250 1.871 498 H GLU 63 H GLU 63 -7.505 -15.493 3.787 499 HA GLU 63 HA GLU 63 -7.496 -12.771 4.328 500 HB2 GLU 63 2HB GLU 63 -8.798 -14.404 5.619 501 HB3 GLU 63 3HB GLU 63 -7.317 -15.051 6.313 502 HG2 GLU 63 2HG GLU 63 -6.885 -12.921 7.419 503 HG3 GLU 63 3HG GLU 63 -8.344 -12.240 6.700 504 H ALA 64 H ALA 64 -5.035 -15.190 5.170 505 HA ALA 64 HA ALA 64 -3.397 -13.622 6.782 506 HB1 ALA 64 3HB ALA 64 -2.516 -15.844 4.941 507 HB2 ALA 64 1HB ALA 64 -3.185 -16.056 6.560 508 HB3 ALA 64 2HB ALA 64 -1.638 -15.235 6.344 509 H ASP 65 H ASP 65 -3.103 -14.108 3.226 510 HA ASP 65 HA ASP 65 -0.802 -12.413 3.093 511 HB2 ASP 65 2HB ASP 65 -1.307 -12.571 0.535 512 HB3 ASP 65 3HB ASP 65 -0.720 -13.975 1.411 513 H ARG 66 H ARG 66 -4.225 -11.897 2.092 514 HA ARG 66 HA ARG 66 -3.834 -9.277 1.182 515 HB2 ARG 66 2HB ARG 66 -6.218 -8.892 1.476 516 HB3 ARG 66 3HB ARG 66 -5.924 -10.467 0.762 517 HG2 ARG 66 2HG ARG 66 -6.403 -11.563 2.858 518 HG3 ARG 66 3HG ARG 66 -6.553 -10.007 3.676 519 HD2 ARG 66 2HD ARG 66 -8.483 -9.439 2.306 520 HD3 ARG 66 3HD ARG 66 -8.306 -10.940 1.399 521 HE ARG 66 HE ARG 66 -9.172 -12.124 3.203 522 HH11 ARG 66 1HH1 ARG 66 -8.896 -8.775 3.953 523 HH12 ARG 66 2HH1 ARG 66 -9.931 -8.877 5.331 524 HH21 ARG 66 1HH2 ARG 66 -10.509 -12.239 4.986 525 HH22 ARG 66 2HH2 ARG 66 -10.810 -10.814 5.922 526 H ILE 67 H ILE 67 -4.660 -10.380 4.490 527 HA ILE 67 HA ILE 67 -4.755 -7.793 5.628 528 HB ILE 67 HB ILE 67 -4.133 -10.461 6.916 529 HG12 ILE 67 2HG1 ILE 67 -6.388 -10.313 5.994 530 HG13 ILE 67 3HG1 ILE 67 -6.462 -10.278 7.752 531 HG21 ILE 67 1HG2 ILE 67 -4.688 -7.805 8.253 532 HG22 ILE 67 2HG2 ILE 67 -3.173 -8.706 8.294 533 HG23 ILE 67 3HG2 ILE 67 -4.609 -9.364 9.077 534 HD11 ILE 67 3HD1 ILE 67 -6.763 -7.850 7.680 535 HD12 ILE 67 1HD1 ILE 67 -8.020 -8.703 6.784 536 HD13 ILE 67 2HD1 ILE 67 -6.708 -7.903 5.918 537 H ASN 68 H ASN 68 -2.061 -10.030 5.080 538 HA ASN 68 HA ASN 68 -0.050 -8.722 6.504 539 HB2 ASN 68 2HB ASN 68 0.319 -10.897 5.490 540 HB3 ASN 68 3HB ASN 68 0.124 -10.218 3.878 541 HD21 ASN 68 1HD2 ASN 68 1.789 -9.021 2.985 542 HD22 ASN 68 2HD2 ASN 68 3.382 -9.011 3.648 543 H VAL 69 H VAL 69 -0.806 -8.305 3.013 544 HA VAL 69 HA VAL 69 0.911 -6.067 2.700 545 HB VAL 69 HB VAL 69 -0.181 -5.692 0.535 546 HG11 VAL 69 1HG1 VAL 69 1.562 -7.383 0.689 547 HG12 VAL 69 2HG1 VAL 69 0.338 -7.872 -0.484 548 HG13 VAL 69 3HG1 VAL 69 0.365 -8.606 1.121 549 HG21 VAL 69 3HG2 VAL 69 -2.015 -7.131 -0.225 550 HG22 VAL 69 1HG2 VAL 69 -2.500 -6.168 1.170 551 HG23 VAL 69 2HG2 VAL 69 -2.102 -7.875 1.372 552 H LEU 70 H LEU 70 -2.460 -6.346 3.665 553 HA LEU 70 HA LEU 70 -3.137 -3.612 3.386 554 HB2 LEU 70 2HB LEU 70 -4.275 -5.812 5.099 555 HB3 LEU 70 3HB LEU 70 -4.913 -4.180 5.146 556 HG LEU 70 HG LEU 70 -4.839 -5.962 2.701 557 HD11 LEU 70 1HD1 LEU 70 -6.452 -6.741 4.353 558 HD12 LEU 70 2HD1 LEU 70 -7.273 -6.049 2.955 559 HD13 LEU 70 3HD1 LEU 70 -7.153 -5.124 4.452 560 HD21 LEU 70 3HD2 LEU 70 -6.035 -3.215 3.097 561 HD22 LEU 70 1HD2 LEU 70 -6.207 -4.219 1.656 562 HD23 LEU 70 2HD2 LEU 70 -4.622 -3.606 2.116 563 H ASN 71 H ASN 71 -1.777 -5.430 6.142 564 HA ASN 71 HA ASN 71 -1.929 -3.303 7.998 565 HB2 ASN 71 2HB ASN 71 -0.077 -5.694 7.927 566 HB3 ASN 71 3HB ASN 71 -0.179 -4.572 9.282 567 HD21 ASN 71 1HD2 ASN 71 -0.719 -7.332 9.420 568 HD22 ASN 71 2HD2 ASN 71 -2.383 -7.521 9.843 569 H GLN 72 H GLN 72 0.874 -4.424 6.066 570 HA GLN 72 HA GLN 72 2.590 -2.332 6.833 571 HB2 GLN 72 2HB GLN 72 3.855 -2.902 4.726 572 HB3 GLN 72 3HB GLN 72 3.555 -4.249 5.812 573 HG2 GLN 72 2HG GLN 72 1.640 -4.908 4.374 574 HG3 GLN 72 3HG GLN 72 2.088 -3.622 3.264 575 HE21 GLN 72 1HE2 GLN 72 4.472 -5.537 4.967 576 HE22 GLN 72 2HE2 GLN 72 5.053 -6.372 3.572 577 H ALA 73 H ALA 73 0.158 -2.491 4.263 578 HA ALA 73 HA ALA 73 0.702 0.025 3.085 579 HB1 ALA 73 3HB ALA 73 -1.950 -1.412 3.286 580 HB2 ALA 73 1HB ALA 73 -0.741 -1.659 2.027 581 HB3 ALA 73 2HB ALA 73 -1.559 -0.101 2.170 582 H THR 74 H THR 74 -1.427 -0.927 5.768 583 HA THR 74 HA THR 74 -2.604 1.554 6.317 584 HB THR 74 HB THR 74 -1.859 -0.578 8.347 585 HG1 THR 74 HG1 THR 74 -4.011 -0.324 6.531 586 HG21 THR 74 3HG2 THR 74 -3.746 0.335 9.648 587 HG22 THR 74 1HG2 THR 74 -3.950 1.605 8.442 588 HG23 THR 74 2HG2 THR 74 -2.476 1.535 9.408 589 H GLU 75 H GLU 75 0.418 0.130 7.506 590 HA GLU 75 HA GLU 75 1.155 2.133 9.311 591 HB2 GLU 75 2HB GLU 75 2.985 0.409 7.626 592 HB3 GLU 75 3HB GLU 75 3.442 1.282 9.082 593 HG2 GLU 75 2HG GLU 75 1.720 -0.108 10.308 594 HG3 GLU 75 3HG GLU 75 1.606 -1.090 8.848 595 H VAL 76 H VAL 76 2.008 1.802 5.858 596 HA VAL 76 HA VAL 76 3.589 4.119 5.665 597 HB VAL 76 HB VAL 76 1.932 2.808 3.493 598 HG11 VAL 76 1HG1 VAL 76 4.250 4.738 3.290 599 HG12 VAL 76 2HG1 VAL 76 2.575 5.053 2.834 600 HG13 VAL 76 3HG1 VAL 76 3.529 3.873 1.934 601 HG21 VAL 76 3HG2 VAL 76 3.515 1.255 4.540 602 HG22 VAL 76 1HG2 VAL 76 4.832 2.394 4.257 603 HG23 VAL 76 2HG2 VAL 76 4.005 1.643 2.892 604 H ILE 77 H ILE 77 0.108 3.676 4.994 605 HA ILE 77 HA ILE 77 -0.464 6.303 4.192 606 HB ILE 77 HB ILE 77 -2.256 4.296 5.587 607 HG12 ILE 77 2HG1 ILE 77 -1.947 5.032 2.656 608 HG13 ILE 77 3HG1 ILE 77 -1.355 3.557 3.412 609 HG21 ILE 77 1HG2 ILE 77 -3.016 6.850 4.156 610 HG22 ILE 77 2HG2 ILE 77 -3.173 6.530 5.883 611 HG23 ILE 77 3HG2 ILE 77 -4.147 5.624 4.728 612 HD11 ILE 77 3HD1 ILE 77 -3.652 2.890 3.908 613 HD12 ILE 77 1HD1 ILE 77 -3.401 3.150 2.182 614 HD13 ILE 77 2HD1 ILE 77 -4.242 4.365 3.142 615 H ASN 78 H ASN 78 -0.767 4.862 7.457 616 HA ASN 78 HA ASN 78 -1.485 7.265 8.766 617 HB2 ASN 78 2HB ASN 78 -0.145 4.779 9.856 618 HB3 ASN 78 3HB ASN 78 -0.772 6.087 10.854 619 HD21 ASN 78 1HD2 ASN 78 -1.562 3.320 10.841 620 HD22 ASN 78 2HD2 ASN 78 -3.245 3.290 10.450 621 H PHE 79 H PHE 79 1.639 5.879 7.934 622 HA PHE 79 HA PHE 79 3.294 7.588 9.453 623 HB2 PHE 79 2HB PHE 79 4.077 5.509 8.362 624 HB3 PHE 79 3HB PHE 79 3.862 6.259 6.786 625 HD1 PHE 79 HD2 PHE 79 5.781 6.512 9.957 626 HD2 PHE 79 HD1 PHE 79 5.582 7.541 5.826 627 HE1 PHE 79 HE2 PHE 79 8.092 7.347 10.053 628 HE2 PHE 79 HE1 PHE 79 7.893 8.373 5.921 629 HZ PHE 79 HZ PHE 79 9.152 8.277 8.033 630 H TRP 80 H TRP 80 2.128 7.843 6.094 631 HA TRP 80 HA TRP 80 3.305 10.293 5.419 632 HB2 TRP 80 2HB TRP 80 2.180 8.761 3.813 633 HB3 TRP 80 3HB TRP 80 0.622 9.214 4.495 634 HD1 TRP 80 HD1 TRP 80 3.477 10.635 2.355 635 HE1 TRP 80 HE1 TRP 80 2.586 12.651 1.032 636 HE3 TRP 80 HE3 TRP 80 -1.156 11.030 4.490 637 HZ2 TRP 80 HZ2 TRP 80 0.241 14.208 0.906 638 HZ3 TRP 80 HZ3 TRP 80 -2.662 12.815 3.710 639 HH2 TRP 80 HH2 TRP 80 -1.976 14.370 1.957 640 H GLN 81 H GLN 81 0.075 9.643 6.783 641 HA GLN 81 HA GLN 81 -0.754 12.314 7.085 642 HB2 GLN 81 2HB GLN 81 -2.244 10.323 7.250 643 HB3 GLN 81 3HB GLN 81 -1.512 9.929 8.799 644 HG2 GLN 81 2HG GLN 81 -2.361 11.999 9.754 645 HG3 GLN 81 3HG GLN 81 -3.049 12.455 8.196 646 HE21 GLN 81 1HE2 GLN 81 -4.390 12.060 10.749 647 HE22 GLN 81 2HE2 GLN 81 -5.583 10.843 10.475 648 H ASP 82 H ASP 82 1.047 10.173 9.251 649 HA ASP 82 HA ASP 82 1.232 11.828 11.506 650 HB2 ASP 82 2HB ASP 82 1.862 9.389 11.341 651 HB3 ASP 82 3HB ASP 82 3.329 9.880 10.507 652 H LEU 83 H LEU 83 3.243 11.644 8.582 653 HA LEU 83 HA LEU 83 5.150 13.602 9.353 654 HB2 LEU 83 2HB LEU 83 4.262 12.840 6.567 655 HB3 LEU 83 3HB LEU 83 5.716 13.730 6.970 656 HG LEU 83 HG LEU 83 5.131 10.844 7.643 657 HD11 LEU 83 1HD1 LEU 83 7.127 12.107 5.767 658 HD12 LEU 83 2HD1 LEU 83 5.695 11.181 5.313 659 HD13 LEU 83 3HD1 LEU 83 7.028 10.389 6.151 660 HD21 LEU 83 3HD2 LEU 83 7.392 10.760 8.566 661 HD22 LEU 83 1HD2 LEU 83 6.378 11.891 9.460 662 HD23 LEU 83 2HD2 LEU 83 7.570 12.497 8.310 663 H LYS 84 H LYS 84 2.067 13.812 7.617 664 HA LYS 84 HA LYS 84 2.179 16.544 6.926 665 HB2 LYS 84 2HB LYS 84 -0.154 14.688 7.409 666 HB3 LYS 84 3HB LYS 84 -0.364 16.350 6.878 667 HG2 LYS 84 2HG LYS 84 1.258 14.299 5.381 668 HG3 LYS 84 3HG LYS 84 -0.438 14.649 5.056 669 HD2 LYS 84 2HD LYS 84 1.725 16.757 4.964 670 HD3 LYS 84 3HD LYS 84 1.251 15.807 3.558 671 HE2 LYS 84 2HE LYS 84 0.077 17.884 3.449 672 HE3 LYS 84 3HE LYS 84 -1.092 16.640 3.879 673 HZ1 LYS 84 3HZ LYS 84 -1.335 18.704 5.166 674 HZ2 LYS 84 1HZ LYS 84 0.205 18.475 5.820 675 HZ3 LYS 84 2HZ LYS 84 -1.031 17.371 6.153 676 H ASN 85 H ASN 85 0.867 14.940 9.807 677 HA ASN 85 HA ASN 85 -0.142 17.228 11.099 678 HB2 ASN 85 2HB ASN 85 0.922 14.653 12.292 679 HB3 ASN 85 3HB ASN 85 -0.018 15.857 13.169 680 HD21 ASN 85 1HD2 ASN 85 -0.602 13.041 12.572 681 HD22 ASN 85 2HD2 ASN 85 -2.127 13.055 11.765 682 H GLN 86 H GLN 86 3.080 15.761 11.155 683 HA GLN 86 HA GLN 86 4.065 17.840 12.972 684 HB2 GLN 86 2HB GLN 86 5.442 15.417 11.791 685 HB3 GLN 86 3HB GLN 86 6.166 16.524 12.953 686 HG2 GLN 86 2HG GLN 86 4.543 15.910 14.625 687 HG3 GLN 86 3HG GLN 86 3.678 14.902 13.467 688 HE21 GLN 86 1HE2 GLN 86 4.592 12.941 12.827 689 HE22 GLN 86 2HE2 GLN 86 5.845 12.183 13.737 690 H ASN 87 H ASN 87 3.592 17.655 9.724 691 HA ASN 87 HA ASN 87 4.334 18.822 7.914 692 HB2 ASN 87 2HB ASN 87 5.480 20.632 10.055 693 HB3 ASN 87 3HB ASN 87 5.268 21.068 8.360 694 HD21 ASN 87 1HD2 ASN 87 3.214 21.491 7.586 695 HD22 ASN 87 2HD2 ASN 87 1.857 21.711 8.632 696 H LYS 88 H LYS 88 6.135 16.735 9.030 697 HA LYS 88 HA LYS 88 8.823 17.545 9.022 698 HB2 LYS 88 2HB LYS 88 7.588 14.842 8.484 699 HB3 LYS 88 3HB LYS 88 9.324 15.103 8.625 700 HG2 LYS 88 2HG LYS 88 8.920 16.046 10.908 701 HG3 LYS 88 3HG LYS 88 7.235 15.548 10.753 702 HD2 LYS 88 2HD LYS 88 7.864 13.237 10.604 703 HD3 LYS 88 3HD LYS 88 9.576 13.655 10.506 704 HE2 LYS 88 2HE LYS 88 7.758 14.093 12.879 705 HE3 LYS 88 3HE LYS 88 9.025 12.876 12.741 706 HZ1 LYS 88 3HZ LYS 88 9.436 15.819 12.743 707 HZ2 LYS 88 1HZ LYS 88 10.657 14.662 12.573 708 HZ3 LYS 88 2HZ LYS 88 9.785 14.769 14.020 709 H GLN 89 H GLN 89 6.960 16.024 6.377 710 HA GLN 89 HA GLN 89 7.132 16.169 4.113 711 HB2 GLN 89 2HB GLN 89 8.804 18.605 4.766 712 HB3 GLN 89 3HB GLN 89 8.192 18.207 3.166 713 HG2 GLN 89 2HG GLN 89 5.929 18.497 3.876 714 HG3 GLN 89 3HG GLN 89 6.422 18.656 5.562 715 HE21 GLN 89 1HE2 GLN 89 7.351 20.575 6.256 716 HE22 GLN 89 2HE2 GLN 89 7.276 22.026 5.321 717 H ILE 90 H ILE 90 9.026 14.455 5.457 718 HA ILE 90 HA ILE 90 11.596 14.688 4.230 719 HB ILE 90 HB ILE 90 12.023 12.419 5.017 720 HG12 ILE 90 2HG1 ILE 90 9.125 12.358 5.910 721 HG13 ILE 90 3HG1 ILE 90 9.751 11.499 4.506 722 HG21 ILE 90 1HG2 ILE 90 10.574 14.122 7.049 723 HG22 ILE 90 2HG2 ILE 90 12.279 14.230 6.609 724 HG23 ILE 90 3HG2 ILE 90 11.670 12.793 7.431 725 HD11 ILE 90 3HD1 ILE 90 10.560 11.048 7.370 726 HD12 ILE 90 1HD1 ILE 90 11.220 10.198 5.971 727 HD13 ILE 90 2HD1 ILE 90 9.517 10.012 6.394 728 H SER 91 H SER 91 12.441 12.694 2.897 729 HA SER 91 HA SER 91 10.795 12.625 0.478 730 HB2 SER 91 2HB SER 91 12.757 11.925 -0.686 731 HB3 SER 91 3HB SER 91 13.294 13.147 0.468 732 HG SER 91 HG SER 91 14.701 11.555 0.833 733 H MET 92 H MET 92 10.596 10.614 -0.777 734 HA MET 92 HA MET 92 9.573 8.429 0.641 735 HB2 MET 92 2HB MET 92 9.665 7.217 -1.517 736 HB3 MET 92 3HB MET 92 8.970 8.824 -1.672 737 HG2 MET 92 2HG MET 92 11.183 9.634 -2.484 738 HG3 MET 92 3HG MET 92 11.744 7.963 -2.475 739 HE1 MET 92 3HE MET 92 9.003 6.469 -3.411 740 HE2 MET 92 1HE MET 92 10.623 6.041 -3.961 741 HE3 MET 92 2HE MET 92 9.342 6.331 -5.138 742 H ALA 93 H ALA 93 12.836 9.098 -0.487 743 HA ALA 93 HA ALA 93 13.965 6.541 -0.072 744 HB1 ALA 93 3HB ALA 93 15.324 9.239 0.085 745 HB2 ALA 93 1HB ALA 93 15.062 8.305 -1.387 746 HB3 ALA 93 2HB ALA 93 16.121 7.678 -0.124 747 H GLU 94 H GLU 94 13.500 9.315 2.084 748 HA GLU 94 HA GLU 94 14.844 8.120 4.323 749 HB2 GLU 94 2HB GLU 94 12.843 10.401 4.275 750 HB3 GLU 94 3HB GLU 94 13.896 9.981 5.623 751 HG2 GLU 94 2HG GLU 94 15.859 10.482 4.227 752 HG3 GLU 94 3HG GLU 94 14.784 10.929 2.904 753 H ALA 95 H ALA 95 11.510 8.246 3.182 754 HA ALA 95 HA ALA 95 10.231 7.142 5.439 755 HB1 ALA 95 3HB ALA 95 9.022 8.235 3.611 756 HB2 ALA 95 1HB ALA 95 8.388 6.621 3.932 757 HB3 ALA 95 2HB ALA 95 9.431 6.897 2.537 758 H GLN 96 H GLN 96 11.752 5.572 2.629 759 HA GLN 96 HA GLN 96 10.946 2.933 3.212 760 HB2 GLN 96 2HB GLN 96 13.382 3.919 1.712 761 HB3 GLN 96 3HB GLN 96 12.865 2.237 1.768 762 HG2 GLN 96 2HG GLN 96 10.655 3.026 0.816 763 HG3 GLN 96 3HG GLN 96 11.443 4.571 0.515 764 HE21 GLN 96 1HE2 GLN 96 11.269 1.222 -0.368 765 HE22 GLN 96 2HE2 GLN 96 12.189 1.348 -1.826 766 H GLY 97 H GLY 97 13.231 4.912 4.825 767 HA2 GLY 97 2HA GLY 97 14.958 2.978 5.930 768 HA3 GLY 97 3HA GLY 97 14.540 4.515 6.674 769 H LYS 98 H LYS 98 11.710 3.992 6.852 770 HA LYS 98 HA LYS 98 11.686 2.209 9.161 771 HB2 LYS 98 2HB LYS 98 10.588 4.541 9.038 772 HB3 LYS 98 3HB LYS 98 9.332 3.775 8.082 773 HG2 LYS 98 2HG LYS 98 10.064 2.742 10.809 774 HG3 LYS 98 3HG LYS 98 8.952 4.091 10.608 775 HD2 LYS 98 2HD LYS 98 7.459 2.694 9.281 776 HD3 LYS 98 3HD LYS 98 8.594 1.351 9.382 777 HE2 LYS 98 2HE LYS 98 8.300 1.286 11.818 778 HE3 LYS 98 3HE LYS 98 7.164 2.630 11.716 779 HZ1 LYS 98 3HZ LYS 98 6.060 0.464 11.871 780 HZ2 LYS 98 1HZ LYS 98 6.778 -0.018 10.416 781 HZ3 LYS 98 2HZ LYS 98 5.671 1.266 10.436 782 H PHE 99 H PHE 99 10.652 2.224 5.833 783 HA PHE 99 HA PHE 99 9.297 -0.380 6.236 784 HB2 PHE 99 2HB PHE 99 8.722 1.637 4.049 785 HB3 PHE 99 3HB PHE 99 7.852 0.137 4.351 786 HD1 PHE 99 HD2 PHE 99 6.589 -0.089 6.549 787 HD2 PHE 99 HD1 PHE 99 8.070 3.633 5.092 788 HE1 PHE 99 HE2 PHE 99 5.035 1.110 8.026 789 HE2 PHE 99 HE1 PHE 99 6.515 4.832 6.569 790 HZ PHE 99 HZ PHE 99 4.994 3.571 8.040 791 HA PRO 100 HA PRO 100 13.048 -0.907 3.454 792 HB2 PRO 100 2HB PRO 100 14.060 -3.123 4.636 793 HB3 PRO 100 3HB PRO 100 14.372 -1.496 5.254 794 HG2 PRO 100 2HG PRO 100 12.343 -3.512 6.176 795 HG3 PRO 100 3HG PRO 100 13.456 -2.529 7.147 796 HD2 PRO 100 2HD PRO 100 10.861 -1.850 6.808 797 HD3 PRO 100 3HD PRO 100 12.143 -0.627 6.957 798 H GLU 101 H GLU 101 10.451 -3.015 4.394 799 HA GLU 101 HA GLU 101 11.013 -4.872 2.190 800 HB2 GLU 101 2HB GLU 101 9.019 -5.105 4.455 801 HB3 GLU 101 3HB GLU 101 9.368 -6.345 3.255 802 HG2 GLU 101 2HG GLU 101 11.688 -6.459 4.064 803 HG3 GLU 101 3HG GLU 101 11.307 -5.252 5.291 804 H VAL 102 H VAL 102 9.476 -2.038 2.413 805 HA VAL 102 HA VAL 102 7.209 -2.877 0.704 806 HB VAL 102 HB VAL 102 7.547 -0.243 2.170 807 HG11 VAL 102 1HG1 VAL 102 5.210 -1.364 0.612 808 HG12 VAL 102 2HG1 VAL 102 6.224 0.000 0.141 809 HG13 VAL 102 3HG1 VAL 102 5.184 0.125 1.560 810 HG21 VAL 102 3HG2 VAL 102 5.800 -2.625 2.819 811 HG22 VAL 102 1HG2 VAL 102 5.746 -1.063 3.641 812 HG23 VAL 102 2HG2 VAL 102 7.193 -2.065 3.744 813 H VAL 103 H VAL 103 7.180 -2.295 -1.403 814 HA VAL 103 HA VAL 103 9.552 -1.013 -2.475 815 HB VAL 103 HB VAL 103 7.138 -2.163 -3.898 816 HG11 VAL 103 1HG1 VAL 103 9.831 -1.359 -5.013 817 HG12 VAL 103 2HG1 VAL 103 8.297 -0.531 -5.293 818 HG13 VAL 103 3HG1 VAL 103 8.540 -2.165 -5.908 819 HG21 VAL 103 3HG2 VAL 103 8.617 -4.091 -4.362 820 HG22 VAL 103 1HG2 VAL 103 8.313 -3.870 -2.639 821 HG23 VAL 103 2HG2 VAL 103 9.854 -3.366 -3.334 822 H PHE 104 H PHE 104 9.533 1.191 -2.212 823 HA PHE 104 HA PHE 104 7.177 2.733 -3.016 824 HB2 PHE 104 2HB PHE 104 9.841 3.564 -1.833 825 HB3 PHE 104 3HB PHE 104 8.615 4.716 -2.345 826 HD1 PHE 104 HD1 PHE 104 8.944 1.697 -0.162 827 HD2 PHE 104 HD2 PHE 104 7.171 5.524 -0.745 828 HE1 PHE 104 HE1 PHE 104 7.916 1.559 2.068 829 HE2 PHE 104 HE2 PHE 104 6.138 5.388 1.480 830 HZ PHE 104 HZ PHE 104 6.511 3.404 2.892 831 H SER 105 H SER 105 6.923 3.382 -5.071 832 HA SER 105 HA SER 105 9.325 3.574 -6.797 833 HB2 SER 105 2HB SER 105 7.860 1.696 -7.435 834 HB3 SER 105 3HB SER 105 6.506 2.809 -7.616 835 HG SER 105 HG SER 105 8.926 2.854 -9.119 836 H GLY 106 H GLY 106 9.731 5.462 -7.767 837 HA2 GLY 106 2HA GLY 106 7.557 7.472 -7.947 838 HA3 GLY 106 3HA GLY 106 9.192 7.898 -7.462 839 H SER 107 H SER 107 7.129 6.980 -10.127 840 HA SER 107 HA SER 107 9.166 6.856 -12.121 841 HB2 SER 107 2HB SER 107 7.269 6.903 -13.737 842 HB3 SER 107 3HB SER 107 7.056 5.698 -12.467 843 HG SER 107 HG SER 107 5.926 8.306 -12.376 844 H ASN 108 H ASN 108 10.405 8.724 -12.033 845 HA ASN 108 HA ASN 108 9.075 11.278 -12.678 846 HB2 ASN 108 2HB ASN 108 10.512 11.189 -10.633 847 HB3 ASN 108 3HB ASN 108 11.894 10.817 -11.659 848 HD21 ASN 108 1HD2 ASN 108 13.001 12.673 -11.085 849 HD22 ASN 108 2HD2 ASN 108 12.514 14.247 -11.616 850 H LEU 109 H LEU 109 10.212 12.723 -14.220 851 HA LEU 109 HA LEU 109 11.820 11.292 -16.214 852 HB2 LEU 109 2HB LEU 109 10.556 12.478 -18.045 853 HB3 LEU 109 3HB LEU 109 9.714 11.176 -17.241 854 HG LEU 109 HG LEU 109 8.233 13.053 -17.793 855 HD11 LEU 109 1HD1 LEU 109 7.697 11.635 -15.873 856 HD12 LEU 109 2HD1 LEU 109 7.110 13.285 -15.670 857 HD13 LEU 109 3HD1 LEU 109 8.555 12.752 -14.812 858 HD21 LEU 109 3HD2 LEU 109 9.871 14.878 -17.595 859 HD22 LEU 109 1HD2 LEU 109 9.838 14.699 -15.840 860 HD23 LEU 109 2HD2 LEU 109 8.383 15.201 -16.704 861 H GLU 110 H GLU 110 12.986 12.715 -17.728 862 HA GLU 110 HA GLU 110 14.013 15.053 -16.289 863 HB2 GLU 110 2HB GLU 110 15.094 13.666 -18.753 864 HB3 GLU 110 3HB GLU 110 15.901 14.938 -17.845 865 HG2 GLU 110 2HG GLU 110 15.993 13.457 -15.882 866 HG3 GLU 110 3HG GLU 110 15.229 12.181 -16.828 867 H HIS 111 H HIS 111 12.319 14.227 -19.236 868 HA HIS 111 HA HIS 111 11.986 17.098 -19.802 869 HB2 HIS 111 2HB HIS 111 12.517 14.944 -21.867 870 HB3 HIS 111 3HB HIS 111 12.116 16.621 -22.229 871 HD1 HIS 111 HD1 HIS 111 13.925 18.425 -21.251 872 HD2 HIS 111 HD2 HIS 111 15.188 14.479 -21.570 873 HE1 HIS 111 HE1 HIS 111 16.429 18.510 -21.157 874 HE2 HIS 111 HE2 HIS 111 17.158 16.102 -21.153 875 H HIS 112 H HIS 112 9.927 17.674 -19.858 876 HA HIS 112 HA HIS 112 7.883 15.581 -19.819 877 HB2 HIS 112 2HB HIS 112 7.959 17.229 -17.984 878 HB3 HIS 112 3HB HIS 112 7.682 18.526 -19.141 879 HD1 HIS 112 HD1 HIS 112 5.306 19.166 -19.483 880 HD2 HIS 112 HD2 HIS 112 5.675 15.340 -17.893 881 HE1 HIS 112 HE1 HIS 112 2.964 18.409 -18.989 882 HE2 HIS 112 HE2 HIS 112 3.212 16.131 -17.962 883 H HIS 113 H HIS 113 9.175 17.691 -22.112 884 HA HIS 113 HA HIS 113 6.705 18.264 -23.497 885 HB2 HIS 113 2HB HIS 113 9.601 18.774 -24.126 886 HB3 HIS 113 3HB HIS 113 8.350 19.041 -25.337 887 HD1 HIS 113 HD1 HIS 113 6.824 21.067 -25.035 888 HD2 HIS 113 HD2 HIS 113 9.578 20.605 -21.957 889 HE1 HIS 113 HE1 HIS 113 6.731 23.203 -23.722 890 HE2 HIS 113 HE2 HIS 113 8.309 22.853 -21.800 891 H HIS 114 H HIS 114 5.735 17.110 -25.004 892 HA HIS 114 HA HIS 114 6.521 14.422 -25.503 893 HB2 HIS 114 2HB HIS 114 4.181 15.001 -25.344 894 HB3 HIS 114 3HB HIS 114 4.321 16.144 -26.672 895 HD1 HIS 114 HD1 HIS 114 3.936 15.257 -28.988 896 HD2 HIS 114 HD2 HIS 114 4.363 12.231 -26.173 897 HE1 HIS 114 HE1 HIS 114 3.363 13.132 -30.191 898 HE2 HIS 114 HE2 HIS 114 3.873 11.311 -28.538 899 H HIS 115 H HIS 115 8.443 14.276 -26.644 900 HA HIS 115 HA HIS 115 8.645 15.599 -29.253 901 HB2 HIS 115 2HB HIS 115 10.957 14.856 -29.294 902 HB3 HIS 115 3HB HIS 115 10.616 15.613 -27.743 903 HD1 HIS 115 HD1 HIS 115 11.699 12.453 -29.293 904 HD2 HIS 115 HD2 HIS 115 10.509 13.773 -25.539 905 HE1 HIS 115 HE1 HIS 115 12.383 10.649 -27.698 906 HE2 HIS 115 HE2 HIS 115 11.468 11.370 -25.479 907 H HIS 116 H HIS 116 8.114 12.454 -27.866 908 HA HIS 116 HA HIS 116 7.514 11.390 -30.542 909 HB2 HIS 116 2HB HIS 116 9.662 10.419 -30.031 910 HB3 HIS 116 3HB HIS 116 9.145 9.989 -28.405 911 HD1 HIS 116 HD1 HIS 116 8.639 7.587 -28.184 912 HD2 HIS 116 HD2 HIS 116 7.866 8.960 -32.029 913 HE1 HIS 116 HE1 HIS 116 7.824 5.586 -29.458 914 HE2 HIS 116 HE2 HIS 116 7.507 6.406 -31.815 Start of MODEL 13 1 H1 MET 1 1H MET 1 0.967 -26.830 -12.350 2 H2 MET 1 2H MET 1 0.298 -26.342 -10.876 3 H3 MET 1 3H MET 1 -0.235 -25.643 -12.318 4 HA MET 1 HA MET 1 -1.144 -27.739 -13.058 5 HB2 MET 1 2HB MET 1 -0.142 -28.696 -10.366 6 HB3 MET 1 3HB MET 1 -1.281 -29.598 -11.354 7 HG2 MET 1 2HG MET 1 1.534 -28.855 -12.122 8 HG3 MET 1 3HG MET 1 0.972 -30.451 -11.625 9 HE1 MET 1 3HE MET 1 2.615 -30.117 -14.283 10 HE2 MET 1 1HE MET 1 1.654 -31.092 -15.395 11 HE3 MET 1 2HE MET 1 1.920 -31.646 -13.742 12 H ALA 2 H ALA 2 -3.342 -28.178 -12.661 13 HA ALA 2 HA ALA 2 -4.697 -26.214 -11.031 14 HB1 ALA 2 3HB ALA 2 -5.521 -26.824 -13.269 15 HB2 ALA 2 1HB ALA 2 -6.740 -27.091 -12.024 16 HB3 ALA 2 2HB ALA 2 -5.852 -28.458 -12.696 17 H ALA 3 H ALA 3 -4.045 -29.662 -10.857 18 HA ALA 3 HA ALA 3 -5.769 -30.036 -8.535 19 HB1 ALA 3 3HB ALA 3 -3.884 -31.982 -9.873 20 HB2 ALA 3 1HB ALA 3 -5.595 -31.784 -10.255 21 HB3 ALA 3 2HB ALA 3 -5.110 -32.370 -8.665 22 H SER 4 H SER 4 -3.116 -28.391 -8.644 23 HA SER 4 HA SER 4 -2.035 -29.453 -6.115 24 HB2 SER 4 2HB SER 4 -0.376 -28.397 -8.426 25 HB3 SER 4 3HB SER 4 0.254 -28.846 -6.840 26 HG SER 4 HG SER 4 0.466 -30.736 -7.752 27 H THR 5 H THR 5 -0.723 -27.794 -4.919 28 HA THR 5 HA THR 5 -2.282 -25.371 -4.740 29 HB THR 5 HB THR 5 0.175 -26.188 -3.160 30 HG1 THR 5 HG1 THR 5 -1.415 -26.826 -1.593 31 HG21 THR 5 3HG2 THR 5 -1.938 -24.096 -2.583 32 HG22 THR 5 1HG2 THR 5 -0.263 -23.776 -3.035 33 HG23 THR 5 2HG2 THR 5 -0.627 -24.561 -1.498 34 H VAL 6 H VAL 6 -1.876 -23.558 -5.843 35 HA VAL 6 HA VAL 6 0.561 -23.179 -7.314 36 HB VAL 6 HB VAL 6 -1.568 -22.405 -8.230 37 HG11 VAL 6 1HG1 VAL 6 -1.609 -20.435 -5.937 38 HG12 VAL 6 2HG1 VAL 6 -2.712 -21.792 -6.168 39 HG13 VAL 6 3HG1 VAL 6 -2.727 -20.442 -7.302 40 HG21 VAL 6 3HG2 VAL 6 0.320 -20.111 -7.659 41 HG22 VAL 6 1HG2 VAL 6 -0.890 -20.153 -8.944 42 HG23 VAL 6 2HG2 VAL 6 0.470 -21.276 -8.973 43 H HIS 7 H HIS 7 2.281 -21.848 -6.891 44 HA HIS 7 HA HIS 7 2.332 -20.530 -4.259 45 HB2 HIS 7 2HB HIS 7 4.830 -20.432 -4.628 46 HB3 HIS 7 3HB HIS 7 4.150 -22.045 -4.474 47 HD1 HIS 7 HD1 HIS 7 4.504 -23.642 -6.386 48 HD2 HIS 7 HD2 HIS 7 5.657 -19.762 -7.312 49 HE1 HIS 7 HE1 HIS 7 5.719 -23.806 -8.571 50 HE2 HIS 7 HE2 HIS 7 6.246 -21.431 -9.194 51 H THR 8 H THR 8 1.819 -18.455 -4.251 52 HA THR 8 HA THR 8 3.087 -16.609 -6.115 53 HB THR 8 HB THR 8 0.066 -16.815 -5.910 54 HG1 THR 8 HG1 THR 8 1.902 -17.749 -7.694 55 HG21 THR 8 3HG2 THR 8 -0.017 -14.887 -7.426 56 HG22 THR 8 1HG2 THR 8 1.740 -14.745 -7.355 57 HG23 THR 8 2HG2 THR 8 0.773 -14.457 -5.909 58 H SER 9 H SER 9 3.981 -15.177 -4.778 59 HA SER 9 HA SER 9 2.682 -14.452 -2.258 60 HB2 SER 9 2HB SER 9 5.090 -14.959 -2.209 61 HB3 SER 9 3HB SER 9 5.397 -13.657 -3.357 62 HG SER 9 HG SER 9 4.461 -13.464 -0.682 63 H PHE 10 H PHE 10 3.032 -11.966 -1.688 64 HA PHE 10 HA PHE 10 2.104 -10.359 -3.980 65 HB2 PHE 10 2HB PHE 10 0.749 -10.558 -1.278 66 HB3 PHE 10 3HB PHE 10 0.373 -9.321 -2.475 67 HD1 PHE 10 HD2 PHE 10 0.183 -12.914 -1.702 68 HD2 PHE 10 HD1 PHE 10 -0.924 -9.832 -4.424 69 HE1 PHE 10 HE2 PHE 10 -1.415 -14.443 -2.778 70 HE2 PHE 10 HE1 PHE 10 -2.522 -11.356 -5.503 71 HZ PHE 10 HZ PHE 10 -2.767 -13.666 -4.684 72 H ILE 11 H ILE 11 2.871 -8.343 -4.104 73 HA ILE 11 HA ILE 11 4.501 -7.297 -1.864 74 HB ILE 11 HB ILE 11 4.818 -6.689 -4.819 75 HG12 ILE 11 2HG1 ILE 11 6.451 -8.513 -3.025 76 HG13 ILE 11 3HG1 ILE 11 5.434 -9.014 -4.371 77 HG21 ILE 11 1HG2 ILE 11 5.550 -4.866 -3.371 78 HG22 ILE 11 2HG2 ILE 11 6.931 -5.634 -4.152 79 HG23 ILE 11 3HG2 ILE 11 6.571 -5.981 -2.460 80 HD11 ILE 11 3HD1 ILE 11 7.760 -9.047 -5.007 81 HD12 ILE 11 1HD1 ILE 11 7.937 -7.350 -4.562 82 HD13 ILE 11 2HD1 ILE 11 6.903 -7.805 -5.917 83 H LEU 12 H LEU 12 4.228 -5.136 -1.265 84 HA LEU 12 HA LEU 12 1.953 -3.701 -2.474 85 HB2 LEU 12 2HB LEU 12 1.814 -4.124 -0.057 86 HB3 LEU 12 3HB LEU 12 3.331 -3.278 0.183 87 HG LEU 12 HG LEU 12 2.215 -1.201 -0.735 88 HD11 LEU 12 1HD1 LEU 12 -0.238 -1.133 -0.717 89 HD12 LEU 12 2HD1 LEU 12 -0.283 -2.870 -0.416 90 HD13 LEU 12 3HD1 LEU 12 0.378 -2.254 -1.931 91 HD21 LEU 12 3HD2 LEU 12 1.040 -2.409 1.772 92 HD22 LEU 12 1HD2 LEU 12 1.043 -0.695 1.353 93 HD23 LEU 12 2HD2 LEU 12 2.566 -1.531 1.656 94 H LYS 13 H LYS 13 2.377 -2.006 -3.783 95 HA LYS 13 HA LYS 13 4.962 -0.607 -3.466 96 HB2 LYS 13 2HB LYS 13 3.167 -0.601 -5.906 97 HB3 LYS 13 3HB LYS 13 4.759 0.134 -5.773 98 HG2 LYS 13 2HG LYS 13 5.530 -2.309 -5.228 99 HG3 LYS 13 3HG LYS 13 4.014 -2.752 -6.014 100 HD2 LYS 13 2HD LYS 13 6.354 -1.252 -7.191 101 HD3 LYS 13 3HD LYS 13 5.694 -2.804 -7.703 102 HE2 LYS 13 2HE LYS 13 4.277 -0.144 -7.913 103 HE3 LYS 13 3HE LYS 13 5.102 -0.965 -9.234 104 HZ1 LYS 13 3HZ LYS 13 2.659 -1.282 -9.185 105 HZ2 LYS 13 1HZ LYS 13 2.823 -2.140 -7.736 106 HZ3 LYS 13 2HZ LYS 13 3.527 -2.734 -9.153 107 H VAL 14 H VAL 14 5.022 1.578 -3.144 108 HA VAL 14 HA VAL 14 2.421 2.959 -2.825 109 HB VAL 14 HB VAL 14 4.950 3.387 -1.212 110 HG11 VAL 14 1HG1 VAL 14 2.223 4.667 -0.938 111 HG12 VAL 14 2HG1 VAL 14 3.698 5.465 -1.487 112 HG13 VAL 14 3HG1 VAL 14 3.575 4.882 0.174 113 HG21 VAL 14 3HG2 VAL 14 2.321 2.121 -0.431 114 HG22 VAL 14 1HG2 VAL 14 3.664 2.454 0.661 115 HG23 VAL 14 2HG2 VAL 14 3.859 1.284 -0.646 116 H LEU 15 H LEU 15 2.132 4.564 -4.222 117 HA LEU 15 HA LEU 15 4.398 5.868 -5.535 118 HB2 LEU 15 2HB LEU 15 2.136 5.063 -6.612 119 HB3 LEU 15 3HB LEU 15 1.506 6.576 -5.994 120 HG LEU 15 HG LEU 15 3.819 6.327 -7.936 121 HD11 LEU 15 1HD1 LEU 15 0.946 7.116 -8.426 122 HD12 LEU 15 2HD1 LEU 15 1.722 5.624 -8.957 123 HD13 LEU 15 3HD1 LEU 15 2.250 7.173 -9.614 124 HD21 LEU 15 3HD2 LEU 15 3.533 8.747 -8.238 125 HD22 LEU 15 1HD2 LEU 15 3.982 8.346 -6.581 126 HD23 LEU 15 2HD2 LEU 15 2.311 8.760 -6.966 127 H TRP 16 H TRP 16 5.335 7.463 -4.378 128 HA TRP 16 HA TRP 16 3.779 8.889 -2.347 129 HB2 TRP 16 2HB TRP 16 5.931 7.703 -1.794 130 HB3 TRP 16 3HB TRP 16 6.775 8.890 -2.779 131 HD1 TRP 16 HD1 TRP 16 6.760 11.477 -1.825 132 HE1 TRP 16 HE1 TRP 16 6.658 12.325 0.603 133 HE3 TRP 16 HE3 TRP 16 5.007 7.244 0.447 134 HZ2 TRP 16 HZ2 TRP 16 5.932 11.334 3.144 135 HZ3 TRP 16 HZ3 TRP 16 4.637 7.274 2.880 136 HH2 TRP 16 HH2 TRP 16 5.092 9.277 4.198 137 H LEU 17 H LEU 17 2.932 10.828 -2.876 138 HA LEU 17 HA LEU 17 4.535 12.670 -4.553 139 HB2 LEU 17 2HB LEU 17 1.521 12.481 -4.345 140 HB3 LEU 17 3HB LEU 17 2.397 13.676 -5.284 141 HG LEU 17 HG LEU 17 2.497 10.694 -5.787 142 HD11 LEU 17 1HD1 LEU 17 0.952 12.844 -7.236 143 HD12 LEU 17 2HD1 LEU 17 0.271 11.561 -6.235 144 HD13 LEU 17 3HD1 LEU 17 1.097 11.158 -7.740 145 HD21 LEU 17 3HD2 LEU 17 4.511 11.906 -6.507 146 HD22 LEU 17 1HD2 LEU 17 3.507 13.012 -7.447 147 HD23 LEU 17 2HD2 LEU 17 3.585 11.304 -7.882 148 H ASP 18 H ASP 18 3.703 15.061 -4.152 149 HA ASP 18 HA ASP 18 4.142 15.603 -1.361 150 HB2 ASP 18 2HB ASP 18 5.091 17.001 -3.197 151 HB3 ASP 18 3HB ASP 18 3.462 17.551 -3.582 152 H GLN 19 H GLN 19 1.409 16.151 -3.598 153 HA GLN 19 HA GLN 19 -0.279 17.015 -1.376 154 HB2 GLN 19 2HB GLN 19 -0.960 16.767 -4.318 155 HB3 GLN 19 3HB GLN 19 -1.971 17.504 -3.085 156 HG2 GLN 19 2HG GLN 19 -0.964 19.281 -4.246 157 HG3 GLN 19 3HG GLN 19 -0.106 19.166 -2.711 158 HE21 GLN 19 1HE2 GLN 19 1.719 20.193 -3.525 159 HE22 GLN 19 2HE2 GLN 19 2.788 19.431 -4.644 160 H ASN 20 H ASN 20 0.256 14.181 -3.308 161 HA ASN 20 HA ASN 20 -2.072 12.854 -2.066 162 HB2 ASN 20 2HB ASN 20 -1.202 12.493 -4.949 163 HB3 ASN 20 3HB ASN 20 -2.571 11.712 -4.162 164 HD21 ASN 20 1HD2 ASN 20 -1.350 14.672 -5.499 165 HD22 ASN 20 2HD2 ASN 20 -2.867 15.496 -5.567 166 H VAL 21 H VAL 21 -1.947 10.440 -2.241 167 HA VAL 21 HA VAL 21 0.633 9.282 -2.884 168 HB VAL 21 HB VAL 21 0.891 9.843 -0.496 169 HG11 VAL 21 1HG1 VAL 21 -1.473 8.016 -0.059 170 HG12 VAL 21 2HG1 VAL 21 -1.440 9.763 0.193 171 HG13 VAL 21 3HG1 VAL 21 -0.458 8.707 1.207 172 HG21 VAL 21 3HG2 VAL 21 1.581 7.623 0.286 173 HG22 VAL 21 1HG2 VAL 21 2.043 7.885 -1.396 174 HG23 VAL 21 2HG2 VAL 21 0.651 6.874 -1.012 175 H ALA 22 H ALA 22 0.474 7.148 -3.546 176 HA ALA 22 HA ALA 22 -2.268 6.038 -3.637 177 HB1 ALA 22 3HB ALA 22 -0.187 5.922 -5.821 178 HB2 ALA 22 1HB ALA 22 -1.613 6.959 -5.806 179 HB3 ALA 22 2HB ALA 22 -1.799 5.207 -5.882 180 H ILE 23 H ILE 23 -2.531 3.833 -3.461 181 HA ILE 23 HA ILE 23 -0.119 2.219 -2.887 182 HB ILE 23 HB ILE 23 -1.536 0.904 -1.270 183 HG12 ILE 23 2HG1 ILE 23 -3.418 3.263 -1.613 184 HG13 ILE 23 3HG1 ILE 23 -3.751 1.593 -2.066 185 HG21 ILE 23 1HG2 ILE 23 0.111 2.534 -0.497 186 HG22 ILE 23 2HG2 ILE 23 -1.297 2.513 0.564 187 HG23 ILE 23 3HG2 ILE 23 -1.092 3.819 -0.604 188 HD11 ILE 23 3HD1 ILE 23 -4.872 2.175 -0.003 189 HD12 ILE 23 1HD1 ILE 23 -3.334 2.628 0.733 190 HD13 ILE 23 2HD1 ILE 23 -3.642 0.947 0.295 191 H ALA 24 H ALA 24 -0.028 0.180 -3.757 192 HA ALA 24 HA ALA 24 -2.373 -1.062 -4.950 193 HB1 ALA 24 3HB ALA 24 -1.406 -1.262 -7.185 194 HB2 ALA 24 1HB ALA 24 -0.008 -0.316 -6.674 195 HB3 ALA 24 2HB ALA 24 -1.604 0.432 -6.736 196 H VAL 25 H VAL 25 -2.058 -3.286 -5.509 197 HA VAL 25 HA VAL 25 0.303 -4.497 -4.207 198 HB VAL 25 HB VAL 25 -2.444 -5.718 -4.609 199 HG11 VAL 25 1HG1 VAL 25 -0.669 -7.403 -4.638 200 HG12 VAL 25 2HG1 VAL 25 -1.626 -7.528 -3.162 201 HG13 VAL 25 3HG1 VAL 25 -0.033 -6.773 -3.119 202 HG21 VAL 25 3HG2 VAL 25 -2.489 -3.932 -2.943 203 HG22 VAL 25 1HG2 VAL 25 -1.126 -4.669 -2.098 204 HG23 VAL 25 2HG2 VAL 25 -2.677 -5.507 -2.171 205 H ASP 26 H ASP 26 1.535 -5.949 -5.296 206 HA ASP 26 HA ASP 26 0.753 -6.695 -8.046 207 HB2 ASP 26 2HB ASP 26 3.535 -6.302 -6.902 208 HB3 ASP 26 3HB ASP 26 3.176 -6.819 -8.548 209 H GLN 27 H GLN 27 0.974 -8.827 -8.678 210 HA GLN 27 HA GLN 27 1.302 -10.770 -6.503 211 HB2 GLN 27 2HB GLN 27 0.130 -12.341 -7.997 212 HB3 GLN 27 3HB GLN 27 -0.796 -10.866 -7.752 213 HG2 GLN 27 2HG GLN 27 0.047 -10.034 -9.934 214 HG3 GLN 27 3HG GLN 27 0.832 -11.591 -10.183 215 HE21 GLN 27 1HE2 GLN 27 -0.473 -13.425 -10.541 216 HE22 GLN 27 2HE2 GLN 27 -2.114 -13.275 -11.048 217 H ILE 28 H ILE 28 3.005 -12.126 -6.387 218 HA ILE 28 HA ILE 28 5.006 -12.138 -8.503 219 HB ILE 28 HB ILE 28 5.033 -13.595 -5.845 220 HG12 ILE 28 2HG1 ILE 28 6.305 -10.961 -6.666 221 HG13 ILE 28 3HG1 ILE 28 4.983 -11.163 -5.520 222 HG21 ILE 28 1HG2 ILE 28 6.499 -14.627 -7.514 223 HG22 ILE 28 2HG2 ILE 28 7.443 -13.845 -6.246 224 HG23 ILE 28 3HG2 ILE 28 7.265 -13.066 -7.819 225 HD11 ILE 28 3HD1 ILE 28 7.115 -10.765 -4.407 226 HD12 ILE 28 1HD1 ILE 28 7.785 -12.207 -5.165 227 HD13 ILE 28 2HD1 ILE 28 6.465 -12.353 -4.004 228 H VAL 29 H VAL 29 4.149 -13.301 -10.187 229 HA VAL 29 HA VAL 29 2.986 -15.939 -9.786 230 HB VAL 29 HB VAL 29 3.653 -14.642 -12.439 231 HG11 VAL 29 1HG1 VAL 29 1.544 -16.651 -11.641 232 HG12 VAL 29 2HG1 VAL 29 2.998 -16.968 -12.588 233 HG13 VAL 29 3HG1 VAL 29 1.722 -15.943 -13.246 234 HG21 VAL 29 3HG2 VAL 29 1.173 -14.192 -10.773 235 HG22 VAL 29 1HG2 VAL 29 1.400 -13.656 -12.439 236 HG23 VAL 29 2HG2 VAL 29 2.415 -12.996 -11.157 237 H GLY 30 H GLY 30 3.851 -17.870 -10.938 238 HA2 GLY 30 2HA GLY 30 6.636 -18.267 -10.699 239 HA3 GLY 30 3HA GLY 30 5.539 -19.296 -11.608 240 H LYS 31 H LYS 31 4.777 -16.844 -13.212 241 HA LYS 31 HA LYS 31 6.816 -17.024 -15.265 242 HB2 LYS 31 2HB LYS 31 4.263 -15.394 -15.134 243 HB3 LYS 31 3HB LYS 31 5.260 -15.619 -16.567 244 HG2 LYS 31 2HG LYS 31 4.708 -17.942 -16.681 245 HG3 LYS 31 3HG LYS 31 3.923 -17.893 -15.102 246 HD2 LYS 31 2HD LYS 31 2.287 -17.907 -16.941 247 HD3 LYS 31 3HD LYS 31 2.185 -16.429 -15.980 248 HE2 LYS 31 2HE LYS 31 3.561 -15.275 -17.696 249 HE3 LYS 31 3HE LYS 31 3.530 -16.748 -18.668 250 HZ1 LYS 31 3HZ LYS 31 1.856 -15.128 -19.359 251 HZ2 LYS 31 1HZ LYS 31 1.137 -15.205 -17.831 252 HZ3 LYS 31 2HZ LYS 31 1.144 -16.567 -18.830 253 H GLY 32 H GLY 32 6.045 -14.905 -12.662 254 HA2 GLY 32 2HA GLY 32 8.062 -13.284 -12.372 255 HA3 GLY 32 3HA GLY 32 7.405 -12.597 -13.855 256 H THR 33 H THR 33 7.379 -10.746 -12.157 257 HA THR 33 HA THR 33 5.061 -10.788 -10.391 258 HB THR 33 HB THR 33 5.737 -8.484 -9.761 259 HG1 THR 33 HG1 THR 33 8.140 -8.756 -11.194 260 HG21 THR 33 3HG2 THR 33 7.841 -9.064 -8.647 261 HG22 THR 33 1HG2 THR 33 8.017 -10.473 -9.693 262 HG23 THR 33 2HG2 THR 33 6.684 -10.391 -8.539 263 H SER 34 H SER 34 3.196 -9.592 -10.651 264 HA SER 34 HA SER 34 2.860 -7.976 -13.078 265 HB2 SER 34 2HB SER 34 2.208 -10.338 -13.633 266 HB3 SER 34 3HB SER 34 0.965 -10.238 -12.388 267 HG SER 34 HG SER 34 0.950 -9.277 -14.929 268 HA PRO 35 HA PRO 35 0.662 -5.357 -10.207 269 HB2 PRO 35 2HB PRO 35 -0.829 -4.388 -12.594 270 HB3 PRO 35 3HB PRO 35 0.153 -3.484 -11.433 271 HG2 PRO 35 2HG PRO 35 1.049 -3.962 -13.905 272 HG3 PRO 35 3HG PRO 35 2.144 -4.006 -12.509 273 HD2 PRO 35 2HD PRO 35 0.905 -6.286 -14.018 274 HD3 PRO 35 3HD PRO 35 2.559 -6.116 -13.391 275 H LEU 36 H LEU 36 -0.922 -6.101 -8.915 276 HA LEU 36 HA LEU 36 -3.084 -7.722 -9.998 277 HB2 LEU 36 2HB LEU 36 -1.895 -8.442 -7.975 278 HB3 LEU 36 3HB LEU 36 -2.395 -6.978 -7.150 279 HG LEU 36 HG LEU 36 -4.776 -7.717 -7.389 280 HD11 LEU 36 1HD1 LEU 36 -3.515 -10.279 -8.374 281 HD12 LEU 36 2HD1 LEU 36 -4.514 -9.173 -9.318 282 HD13 LEU 36 3HD1 LEU 36 -5.218 -10.056 -7.965 283 HD21 LEU 36 3HD2 LEU 36 -4.662 -9.436 -5.634 284 HD22 LEU 36 1HD2 LEU 36 -3.571 -8.091 -5.305 285 HD23 LEU 36 2HD2 LEU 36 -2.930 -9.614 -5.924 286 H THR 37 H THR 37 -2.831 -4.791 -7.951 287 HA THR 37 HA THR 37 -5.614 -4.110 -8.724 288 HB THR 37 HB THR 37 -5.838 -2.851 -6.646 289 HG1 THR 37 HG1 THR 37 -4.010 -2.153 -5.828 290 HG21 THR 37 3HG2 THR 37 -5.760 -4.686 -5.019 291 HG22 THR 37 1HG2 THR 37 -4.740 -5.622 -6.112 292 HG23 THR 37 2HG2 THR 37 -6.402 -5.242 -6.565 293 H SER 38 H SER 38 -6.086 -1.725 -8.688 294 HA SER 38 HA SER 38 -4.053 -0.291 -10.182 295 HB2 SER 38 2HB SER 38 -6.455 -0.141 -10.814 296 HB3 SER 38 3HB SER 38 -6.785 0.679 -9.288 297 HG SER 38 HG SER 38 -6.363 2.408 -10.441 298 H TYR 39 H TYR 39 -3.758 2.119 -9.616 299 HA TYR 39 HA TYR 39 -2.748 2.220 -6.882 300 HB2 TYR 39 2HB TYR 39 -2.383 4.097 -9.234 301 HB3 TYR 39 3HB TYR 39 -1.651 4.341 -7.651 302 HD1 TYR 39 HD1 TYR 39 -1.723 2.074 -10.589 303 HD2 TYR 39 HD2 TYR 39 0.346 3.198 -7.036 304 HE1 TYR 39 HE1 TYR 39 0.177 0.663 -11.254 305 HE2 TYR 39 HE2 TYR 39 2.253 1.792 -7.695 306 HH TYR 39 HH TYR 39 2.678 0.599 -10.778 307 H PHE 40 H PHE 40 -4.250 2.751 -5.408 308 HA PHE 40 HA PHE 40 -6.344 4.677 -6.038 309 HB2 PHE 40 2HB PHE 40 -5.858 3.094 -3.503 310 HB3 PHE 40 3HB PHE 40 -7.309 4.017 -3.884 311 HD1 PHE 40 HD1 PHE 40 -8.644 3.313 -5.965 312 HD2 PHE 40 HD2 PHE 40 -5.695 0.843 -4.128 313 HE1 PHE 40 HE1 PHE 40 -9.620 1.335 -7.054 314 HE2 PHE 40 HE2 PHE 40 -6.674 -1.136 -5.218 315 HZ PHE 40 HZ PHE 40 -8.638 -0.893 -6.680 316 H PHE 41 H PHE 41 -6.059 6.791 -5.715 317 HA PHE 41 HA PHE 41 -3.978 7.758 -3.898 318 HB2 PHE 41 2HB PHE 41 -5.693 9.177 -5.952 319 HB3 PHE 41 3HB PHE 41 -4.502 9.986 -4.942 320 HD1 PHE 41 HD1 PHE 41 -4.894 7.366 -7.551 321 HD2 PHE 41 HD2 PHE 41 -2.247 10.058 -5.571 322 HE1 PHE 41 HE1 PHE 41 -3.158 6.890 -9.227 323 HE2 PHE 41 HE2 PHE 41 -0.510 9.584 -7.247 324 HZ PHE 41 HZ PHE 41 -0.965 8.001 -9.078 325 H TRP 42 H TRP 42 -4.431 8.426 -1.876 326 HA TRP 42 HA TRP 42 -7.088 9.625 -1.360 327 HB2 TRP 42 2HB TRP 42 -7.252 8.583 0.680 328 HB3 TRP 42 3HB TRP 42 -6.242 7.392 -0.125 329 HD1 TRP 42 HD1 TRP 42 -3.444 7.825 0.380 330 HE1 TRP 42 HE1 TRP 42 -2.363 8.390 2.646 331 HE3 TRP 42 HE3 TRP 42 -7.572 9.573 2.835 332 HZ2 TRP 42 HZ2 TRP 42 -3.153 9.425 5.148 333 HZ3 TRP 42 HZ3 TRP 42 -7.327 10.325 5.168 334 HH2 TRP 42 HH2 TRP 42 -5.161 10.249 6.299 335 HA PRO 43 HA PRO 43 -7.756 10.550 0.810 336 HB2 PRO 43 2HB PRO 43 -8.634 12.904 1.704 337 HB3 PRO 43 3HB PRO 43 -7.331 12.049 2.538 338 HG2 PRO 43 2HG PRO 43 -7.163 14.360 0.638 339 HG3 PRO 43 3HG PRO 43 -6.281 14.089 2.152 340 HD2 PRO 43 2HD PRO 43 -5.278 13.561 -0.381 341 HD3 PRO 43 3HD PRO 43 -4.678 12.831 1.121 342 H ARG 44 H ARG 44 -7.154 11.555 -2.094 343 HA ARG 44 HA ARG 44 -9.377 13.080 -2.932 344 HB2 ARG 44 2HB ARG 44 -7.754 11.059 -4.500 345 HB3 ARG 44 3HB ARG 44 -8.851 12.242 -5.200 346 HG2 ARG 44 2HG ARG 44 -6.309 12.824 -3.680 347 HG3 ARG 44 3HG ARG 44 -6.567 12.998 -5.417 348 HD2 ARG 44 2HD ARG 44 -7.962 14.563 -3.241 349 HD3 ARG 44 3HD ARG 44 -6.684 15.162 -4.297 350 HE ARG 44 HE ARG 44 -8.501 14.448 -6.091 351 HH11 ARG 44 1HH1 ARG 44 -8.863 16.195 -3.146 352 HH12 ARG 44 2HH1 ARG 44 -10.224 17.096 -3.715 353 HH21 ARG 44 1HH2 ARG 44 -10.258 15.626 -6.813 354 HH22 ARG 44 2HH2 ARG 44 -10.997 16.776 -5.758 355 H ALA 45 H ALA 45 -8.922 9.611 -2.500 356 HA ALA 45 HA ALA 45 -11.817 9.255 -2.411 357 HB1 ALA 45 3HB ALA 45 -11.800 7.349 -3.947 358 HB2 ALA 45 1HB ALA 45 -10.081 7.599 -4.254 359 HB3 ALA 45 2HB ALA 45 -11.254 8.816 -4.761 360 H ASP 46 H ASP 46 -12.403 7.074 -1.538 361 HA ASP 46 HA ASP 46 -10.865 6.391 0.731 362 HB2 ASP 46 2HB ASP 46 -13.042 4.785 -0.645 363 HB3 ASP 46 3HB ASP 46 -12.451 4.521 0.993 364 H ALA 47 H ALA 47 -8.752 5.975 -0.096 365 HA ALA 47 HA ALA 47 -8.136 4.141 -2.135 366 HB1 ALA 47 3HB ALA 47 -5.828 4.306 -1.356 367 HB2 ALA 47 1HB ALA 47 -6.378 5.068 0.136 368 HB3 ALA 47 2HB ALA 47 -6.599 5.893 -1.408 369 H TRP 48 H TRP 48 -7.842 3.702 1.406 370 HA TRP 48 HA TRP 48 -6.952 1.018 1.246 371 HB2 TRP 48 2HB TRP 48 -6.730 2.661 3.200 372 HB3 TRP 48 3HB TRP 48 -8.382 2.226 3.618 373 HD1 TRP 48 HD1 TRP 48 -4.875 0.633 3.332 374 HE1 TRP 48 HE1 TRP 48 -4.786 -1.409 4.891 375 HE3 TRP 48 HE3 TRP 48 -9.762 0.537 4.841 376 HZ2 TRP 48 HZ2 TRP 48 -6.542 -2.869 6.537 377 HZ3 TRP 48 HZ3 TRP 48 -10.472 -1.218 6.415 378 HH2 TRP 48 HH2 TRP 48 -8.893 -2.885 7.242 379 H GLN 49 H GLN 49 -10.168 2.432 1.636 380 HA GLN 49 HA GLN 49 -11.605 0.055 2.125 381 HB2 GLN 49 2HB GLN 49 -12.552 2.261 2.565 382 HB3 GLN 49 3HB GLN 49 -12.504 2.652 0.853 383 HG2 GLN 49 2HG GLN 49 -14.760 2.100 1.548 384 HG3 GLN 49 3HG GLN 49 -14.156 0.919 0.389 385 HE21 GLN 49 1HE2 GLN 49 -13.235 0.959 3.776 386 HE22 GLN 49 2HE2 GLN 49 -14.053 -0.502 4.198 387 H GLN 50 H GLN 50 -10.761 1.682 -0.925 388 HA GLN 50 HA GLN 50 -12.182 -0.189 -2.574 389 HB2 GLN 50 2HB GLN 50 -10.021 1.827 -3.230 390 HB3 GLN 50 3HB GLN 50 -10.875 0.874 -4.438 391 HG2 GLN 50 2HG GLN 50 -12.981 1.901 -3.804 392 HG3 GLN 50 3HG GLN 50 -12.182 2.801 -2.518 393 HE21 GLN 50 1HE2 GLN 50 -10.838 4.536 -3.074 394 HE22 GLN 50 2HE2 GLN 50 -10.908 5.279 -4.629 395 H LEU 51 H LEU 51 -8.775 0.167 -1.592 396 HA LEU 51 HA LEU 51 -7.676 -1.901 -3.121 397 HB2 LEU 51 2HB LEU 51 -6.301 -0.297 -1.896 398 HB3 LEU 51 3HB LEU 51 -6.868 -0.941 -0.367 399 HG LEU 51 HG LEU 51 -5.753 -3.098 -0.873 400 HD11 LEU 51 1HD1 LEU 51 -4.146 -3.206 -2.745 401 HD12 LEU 51 2HD1 LEU 51 -4.759 -1.659 -3.333 402 HD13 LEU 51 3HD1 LEU 51 -5.819 -3.068 -3.281 403 HD21 LEU 51 3HD2 LEU 51 -3.450 -2.323 -0.574 404 HD22 LEU 51 1HD2 LEU 51 -4.572 -1.420 0.441 405 HD23 LEU 51 2HD2 LEU 51 -3.933 -0.690 -1.033 406 H LYS 52 H LYS 52 -8.916 -2.049 0.238 407 HA LYS 52 HA LYS 52 -8.533 -4.816 0.577 408 HB2 LYS 52 2HB LYS 52 -9.899 -4.660 2.523 409 HB3 LYS 52 3HB LYS 52 -9.032 -3.137 2.404 410 HG2 LYS 52 2HG LYS 52 -11.040 -2.088 1.442 411 HG3 LYS 52 3HG LYS 52 -11.906 -3.614 1.619 412 HD2 LYS 52 2HD LYS 52 -10.771 -1.893 3.828 413 HD3 LYS 52 3HD LYS 52 -12.475 -2.170 3.464 414 HE2 LYS 52 2HE LYS 52 -10.492 -4.241 4.418 415 HE3 LYS 52 3HE LYS 52 -11.764 -3.499 5.384 416 HZ1 LYS 52 3HZ LYS 52 -12.321 -5.079 2.936 417 HZ2 LYS 52 1HZ LYS 52 -13.417 -4.580 4.118 418 HZ3 LYS 52 2HZ LYS 52 -12.266 -5.764 4.482 419 H ASP 53 H ASP 53 -11.278 -2.982 -0.695 420 HA ASP 53 HA ASP 53 -13.201 -4.973 -0.881 421 HB2 ASP 53 2HB ASP 53 -13.458 -2.497 -1.342 422 HB3 ASP 53 3HB ASP 53 -12.746 -2.787 -2.926 423 H GLU 54 H GLU 54 -10.767 -4.036 -3.291 424 HA GLU 54 HA GLU 54 -11.340 -5.948 -5.254 425 HB2 GLU 54 2HB GLU 54 -8.699 -4.656 -4.530 426 HB3 GLU 54 3HB GLU 54 -9.007 -5.543 -6.018 427 HG2 GLU 54 2HG GLU 54 -10.473 -3.048 -5.170 428 HG3 GLU 54 3HG GLU 54 -9.105 -3.084 -6.280 429 H LEU 55 H LEU 55 -9.040 -6.108 -2.528 430 HA LEU 55 HA LEU 55 -7.985 -8.652 -3.130 431 HB2 LEU 55 2HB LEU 55 -8.202 -7.195 -0.496 432 HB3 LEU 55 3HB LEU 55 -7.271 -8.664 -0.728 433 HG LEU 55 HG LEU 55 -6.752 -6.043 -2.157 434 HD11 LEU 55 1HD1 LEU 55 -6.242 -5.875 0.215 435 HD12 LEU 55 2HD1 LEU 55 -4.761 -5.898 -0.741 436 HD13 LEU 55 3HD1 LEU 55 -5.270 -7.346 0.128 437 HD21 LEU 55 3HD2 LEU 55 -4.679 -7.114 -2.904 438 HD22 LEU 55 1HD2 LEU 55 -6.094 -7.990 -3.487 439 HD23 LEU 55 2HD2 LEU 55 -5.166 -8.619 -2.126 440 H GLU 56 H GLU 56 -10.825 -7.710 -1.238 441 HA GLU 56 HA GLU 56 -11.417 -10.311 -0.236 442 HB2 GLU 56 2HB GLU 56 -13.323 -8.011 -0.733 443 HB3 GLU 56 3HB GLU 56 -13.635 -9.410 0.285 444 HG2 GLU 56 2HG GLU 56 -11.562 -7.283 0.770 445 HG3 GLU 56 3HG GLU 56 -13.100 -7.449 1.610 446 H ALA 57 H ALA 57 -12.211 -8.609 -3.197 447 HA ALA 57 HA ALA 57 -14.198 -10.465 -4.108 448 HB1 ALA 57 3HB ALA 57 -12.637 -8.404 -5.670 449 HB2 ALA 57 1HB ALA 57 -14.172 -8.128 -4.841 450 HB3 ALA 57 2HB ALA 57 -14.096 -9.235 -6.210 451 H LYS 58 H LYS 58 -10.722 -10.092 -4.645 452 HA LYS 58 HA LYS 58 -10.599 -12.188 -6.632 453 HB2 LYS 58 2HB LYS 58 -8.324 -10.920 -5.086 454 HB3 LYS 58 3HB LYS 58 -8.201 -11.828 -6.587 455 HG2 LYS 58 2HG LYS 58 -9.415 -10.094 -7.773 456 HG3 LYS 58 3HG LYS 58 -9.640 -9.195 -6.270 457 HD2 LYS 58 2HD LYS 58 -7.140 -9.050 -6.081 458 HD3 LYS 58 3HD LYS 58 -7.032 -9.770 -7.689 459 HE2 LYS 58 2HE LYS 58 -8.338 -7.143 -6.963 460 HE3 LYS 58 3HE LYS 58 -6.834 -7.362 -7.855 461 HZ1 LYS 58 3HZ LYS 58 -8.169 -8.545 -9.567 462 HZ2 LYS 58 1HZ LYS 58 -8.553 -6.907 -9.403 463 HZ3 LYS 58 2HZ LYS 58 -9.569 -8.082 -8.743 464 H HIS 59 H HIS 59 -11.437 -14.039 -5.671 465 HA HIS 59 HA HIS 59 -11.015 -14.712 -2.965 466 HB2 HIS 59 2HB HIS 59 -12.997 -15.342 -4.387 467 HB3 HIS 59 3HB HIS 59 -11.990 -16.582 -5.127 468 HD1 HIS 59 HD1 HIS 59 -12.201 -18.813 -4.056 469 HD2 HIS 59 HD2 HIS 59 -13.062 -15.733 -1.395 470 HE1 HIS 59 HE1 HIS 59 -12.877 -19.935 -1.919 471 HE2 HIS 59 HE2 HIS 59 -13.357 -18.065 -0.312 472 H TRP 60 H TRP 60 -8.972 -15.279 -5.649 473 HA TRP 60 HA TRP 60 -7.786 -17.691 -4.601 474 HB2 TRP 60 2HB TRP 60 -6.162 -17.499 -6.413 475 HB3 TRP 60 3HB TRP 60 -7.798 -17.297 -7.020 476 HD1 TRP 60 HD1 TRP 60 -8.515 -14.692 -7.646 477 HE1 TRP 60 HE1 TRP 60 -7.063 -12.796 -8.595 478 HE3 TRP 60 HE3 TRP 60 -3.908 -16.525 -6.424 479 HZ2 TRP 60 HZ2 TRP 60 -4.320 -12.165 -8.805 480 HZ3 TRP 60 HZ3 TRP 60 -1.918 -15.216 -7.040 481 HH2 TRP 60 HH2 TRP 60 -2.120 -13.083 -8.205 482 H ILE 61 H ILE 61 -7.516 -14.438 -3.781 483 HA ILE 61 HA ILE 61 -4.814 -14.504 -2.774 484 HB ILE 61 HB ILE 61 -7.133 -12.606 -2.385 485 HG12 ILE 61 2HG1 ILE 61 -5.628 -10.972 -3.418 486 HG13 ILE 61 3HG1 ILE 61 -4.332 -12.160 -3.457 487 HG21 ILE 61 1HG2 ILE 61 -4.493 -12.485 -0.924 488 HG22 ILE 61 2HG2 ILE 61 -6.086 -12.721 -0.205 489 HG23 ILE 61 3HG2 ILE 61 -5.684 -11.186 -0.975 490 HD11 ILE 61 3HD1 ILE 61 -5.536 -13.477 -5.068 491 HD12 ILE 61 1HD1 ILE 61 -5.403 -11.813 -5.636 492 HD13 ILE 61 2HD1 ILE 61 -6.925 -12.396 -4.961 493 H ALA 62 H ALA 62 -4.145 -15.400 -0.886 494 HA ALA 62 HA ALA 62 -5.986 -16.739 0.855 495 HB1 ALA 62 3HB ALA 62 -3.708 -17.577 0.434 496 HB2 ALA 62 1HB ALA 62 -4.030 -17.354 2.152 497 HB3 ALA 62 2HB ALA 62 -3.050 -16.177 1.280 498 H GLU 63 H GLU 63 -6.552 -16.218 3.002 499 HA GLU 63 HA GLU 63 -7.092 -13.544 3.540 500 HB2 GLU 63 2HB GLU 63 -8.322 -15.352 4.617 501 HB3 GLU 63 3HB GLU 63 -6.887 -15.826 5.517 502 HG2 GLU 63 2HG GLU 63 -6.930 -13.839 6.814 503 HG3 GLU 63 3HG GLU 63 -8.143 -13.102 5.771 504 H ALA 64 H ALA 64 -4.396 -15.525 4.718 505 HA ALA 64 HA ALA 64 -3.112 -13.729 6.378 506 HB1 ALA 64 3HB ALA 64 -1.800 -15.636 4.442 507 HB2 ALA 64 1HB ALA 64 -2.412 -16.055 6.041 508 HB3 ALA 64 2HB ALA 64 -1.058 -14.935 5.882 509 H ASP 65 H ASP 65 -2.797 -13.994 2.829 510 HA ASP 65 HA ASP 65 -0.862 -11.963 2.533 511 HB2 ASP 65 2HB ASP 65 -2.855 -13.112 0.570 512 HB3 ASP 65 3HB ASP 65 -1.599 -11.960 0.122 513 H ARG 66 H ARG 66 -4.427 -11.825 2.048 514 HA ARG 66 HA ARG 66 -4.504 -9.113 1.322 515 HB2 ARG 66 2HB ARG 66 -6.887 -9.139 1.833 516 HB3 ARG 66 3HB ARG 66 -6.431 -10.606 0.980 517 HG2 ARG 66 2HG ARG 66 -6.569 -11.906 2.971 518 HG3 ARG 66 3HG ARG 66 -6.737 -10.465 3.972 519 HD2 ARG 66 2HD ARG 66 -8.894 -9.979 2.860 520 HD3 ARG 66 3HD ARG 66 -8.739 -11.477 1.945 521 HE ARG 66 HE ARG 66 -8.926 -12.679 4.042 522 HH11 ARG 66 1HH1 ARG 66 -9.907 -9.386 4.048 523 HH12 ARG 66 2HH1 ARG 66 -10.776 -9.533 5.533 524 HH21 ARG 66 1HH2 ARG 66 -10.072 -12.856 5.953 525 HH22 ARG 66 2HH2 ARG 66 -10.850 -11.460 6.608 526 H ILE 67 H ILE 67 -4.743 -10.610 4.547 527 HA ILE 67 HA ILE 67 -5.187 -8.203 5.978 528 HB ILE 67 HB ILE 67 -3.963 -10.812 6.915 529 HG12 ILE 67 2HG1 ILE 67 -6.267 -11.055 6.111 530 HG13 ILE 67 3HG1 ILE 67 -6.210 -11.238 7.860 531 HG21 ILE 67 1HG2 ILE 67 -3.295 -9.056 8.431 532 HG22 ILE 67 2HG2 ILE 67 -4.544 -10.036 9.199 533 HG23 ILE 67 3HG2 ILE 67 -4.952 -8.457 8.527 534 HD11 ILE 67 3HD1 ILE 67 -7.125 -8.811 6.336 535 HD12 ILE 67 1HD1 ILE 67 -7.000 -8.917 8.093 536 HD13 ILE 67 2HD1 ILE 67 -8.132 -9.952 7.225 537 H ASN 68 H ASN 68 -2.197 -10.000 5.253 538 HA ASN 68 HA ASN 68 -0.353 -8.434 6.623 539 HB2 ASN 68 2HB ASN 68 0.275 -10.540 5.586 540 HB3 ASN 68 3HB ASN 68 -0.046 -9.890 3.982 541 HD21 ASN 68 1HD2 ASN 68 1.973 -10.150 3.180 542 HD22 ASN 68 2HD2 ASN 68 3.356 -9.292 3.755 543 H VAL 69 H VAL 69 -1.196 -8.131 3.152 544 HA VAL 69 HA VAL 69 0.374 -5.823 2.742 545 HB VAL 69 HB VAL 69 -0.787 -5.569 0.592 546 HG11 VAL 69 1HG1 VAL 69 -0.056 -8.423 1.273 547 HG12 VAL 69 2HG1 VAL 69 1.050 -7.148 0.762 548 HG13 VAL 69 3HG1 VAL 69 -0.169 -7.756 -0.357 549 HG21 VAL 69 3HG2 VAL 69 -2.549 -7.169 -0.060 550 HG22 VAL 69 1HG2 VAL 69 -3.057 -6.124 1.267 551 HG23 VAL 69 2HG2 VAL 69 -2.580 -7.791 1.591 552 H LEU 70 H LEU 70 -3.048 -6.164 3.623 553 HA LEU 70 HA LEU 70 -3.707 -3.414 3.336 554 HB2 LEU 70 2HB LEU 70 -4.945 -5.631 4.956 555 HB3 LEU 70 3HB LEU 70 -5.595 -4.001 4.945 556 HG LEU 70 HG LEU 70 -5.317 -5.777 2.509 557 HD11 LEU 70 1HD1 LEU 70 -7.032 -6.606 4.026 558 HD12 LEU 70 2HD1 LEU 70 -7.763 -5.910 2.579 559 HD13 LEU 70 3HD1 LEU 70 -7.769 -5.004 4.094 560 HD21 LEU 70 3HD2 LEU 70 -6.621 -3.068 2.829 561 HD22 LEU 70 1HD2 LEU 70 -6.625 -4.059 1.368 562 HD23 LEU 70 2HD2 LEU 70 -5.110 -3.396 1.978 563 H ASN 71 H ASN 71 -2.509 -5.297 6.107 564 HA ASN 71 HA ASN 71 -2.687 -3.199 7.999 565 HB2 ASN 71 2HB ASN 71 -0.991 -5.691 7.906 566 HB3 ASN 71 3HB ASN 71 -0.919 -4.558 9.252 567 HD21 ASN 71 1HD2 ASN 71 -1.772 -7.324 9.230 568 HD22 ASN 71 2HD2 ASN 71 -3.393 -7.329 9.818 569 H GLN 72 H GLN 72 0.130 -4.333 6.089 570 HA GLN 72 HA GLN 72 1.866 -2.302 7.017 571 HB2 GLN 72 2HB GLN 72 3.328 -2.904 5.135 572 HB3 GLN 72 3HB GLN 72 2.742 -4.324 5.989 573 HG2 GLN 72 2HG GLN 72 1.035 -4.627 4.213 574 HG3 GLN 72 3HG GLN 72 1.757 -3.279 3.339 575 HE21 GLN 72 1HE2 GLN 72 3.574 -5.674 5.150 576 HE22 GLN 72 2HE2 GLN 72 4.325 -6.401 3.780 577 H ALA 73 H ALA 73 -0.422 -2.397 4.322 578 HA ALA 73 HA ALA 73 0.212 0.073 3.133 579 HB1 ALA 73 3HB ALA 73 -1.328 -1.528 2.101 580 HB2 ALA 73 1HB ALA 73 -2.085 0.059 2.265 581 HB3 ALA 73 2HB ALA 73 -2.502 -1.241 3.385 582 H THR 74 H THR 74 -2.110 -0.693 5.734 583 HA THR 74 HA THR 74 -3.007 1.867 6.334 584 HB THR 74 HB THR 74 -2.472 -0.359 8.328 585 HG1 THR 74 HG1 THR 74 -4.422 -1.144 7.779 586 HG21 THR 74 3HG2 THR 74 -4.248 0.718 9.659 587 HG22 THR 74 1HG2 THR 74 -4.332 2.025 8.478 588 HG23 THR 74 2HG2 THR 74 -2.865 1.791 9.431 589 H GLU 75 H GLU 75 -0.155 0.158 7.618 590 HA GLU 75 HA GLU 75 0.758 2.147 9.359 591 HB2 GLU 75 2HB GLU 75 2.354 0.109 7.780 592 HB3 GLU 75 3HB GLU 75 2.995 1.064 9.112 593 HG2 GLU 75 2HG GLU 75 1.375 0.040 10.636 594 HG3 GLU 75 3HG GLU 75 0.725 -0.914 9.304 595 H VAL 76 H VAL 76 1.452 1.694 5.888 596 HA VAL 76 HA VAL 76 3.206 3.905 5.612 597 HB VAL 76 HB VAL 76 1.411 2.644 3.520 598 HG11 VAL 76 1HG1 VAL 76 3.812 4.451 3.168 599 HG12 VAL 76 2HG1 VAL 76 2.132 4.886 2.850 600 HG13 VAL 76 3HG1 VAL 76 2.923 3.651 1.872 601 HG21 VAL 76 3HG2 VAL 76 2.977 1.046 4.509 602 HG22 VAL 76 1HG2 VAL 76 4.321 2.139 4.175 603 HG23 VAL 76 2HG2 VAL 76 3.421 1.411 2.844 604 H ILE 77 H ILE 77 -0.313 3.622 5.170 605 HA ILE 77 HA ILE 77 -0.898 6.194 4.273 606 HB ILE 77 HB ILE 77 -2.531 4.335 6.015 607 HG12 ILE 77 2HG1 ILE 77 -2.637 4.949 3.046 608 HG13 ILE 77 3HG1 ILE 77 -1.970 3.489 3.767 609 HG21 ILE 77 1HG2 ILE 77 -3.429 6.851 4.604 610 HG22 ILE 77 2HG2 ILE 77 -3.356 6.598 6.348 611 HG23 ILE 77 3HG2 ILE 77 -4.499 5.677 5.370 612 HD11 ILE 77 3HD1 ILE 77 -4.201 2.929 4.632 613 HD12 ILE 77 1HD1 ILE 77 -4.162 3.060 2.874 614 HD13 ILE 77 2HD1 ILE 77 -4.847 4.367 3.840 615 H ASN 78 H ASN 78 -0.862 5.021 7.655 616 HA ASN 78 HA ASN 78 -1.307 7.570 8.821 617 HB2 ASN 78 2HB ASN 78 -0.134 5.028 9.970 618 HB3 ASN 78 3HB ASN 78 -0.448 6.469 10.931 619 HD21 ASN 78 1HD2 ASN 78 -1.872 3.801 9.248 620 HD22 ASN 78 2HD2 ASN 78 -3.483 4.043 9.815 621 H PHE 79 H PHE 79 1.608 5.915 7.779 622 HA PHE 79 HA PHE 79 3.508 7.585 9.055 623 HB2 PHE 79 2HB PHE 79 4.055 5.388 8.062 624 HB3 PHE 79 3HB PHE 79 3.754 6.041 6.457 625 HD1 PHE 79 HD2 PHE 79 5.865 6.671 9.475 626 HD2 PHE 79 HD1 PHE 79 5.559 6.825 5.224 627 HE1 PHE 79 HE2 PHE 79 8.225 7.349 9.329 628 HE2 PHE 79 HE1 PHE 79 7.923 7.491 5.078 629 HZ PHE 79 HZ PHE 79 9.256 7.757 7.134 630 H TRP 80 H TRP 80 2.119 7.705 5.774 631 HA TRP 80 HA TRP 80 3.348 10.033 4.845 632 HB2 TRP 80 2HB TRP 80 2.028 8.503 3.433 633 HB3 TRP 80 3HB TRP 80 0.556 8.994 4.260 634 HD1 TRP 80 HD1 TRP 80 3.257 10.494 1.913 635 HE1 TRP 80 HE1 TRP 80 2.157 12.356 0.517 636 HE3 TRP 80 HE3 TRP 80 -1.370 10.530 4.102 637 HZ2 TRP 80 HZ2 TRP 80 -0.340 13.659 0.357 638 HZ3 TRP 80 HZ3 TRP 80 -3.057 12.114 3.264 639 HH2 TRP 80 HH2 TRP 80 -2.550 13.646 1.430 640 H GLN 81 H GLN 81 0.266 9.667 6.585 641 HA GLN 81 HA GLN 81 -0.356 12.404 6.808 642 HB2 GLN 81 2HB GLN 81 -1.985 10.623 7.236 643 HB3 GLN 81 3HB GLN 81 -1.068 10.097 8.641 644 HG2 GLN 81 2HG GLN 81 -3.036 11.394 9.276 645 HG3 GLN 81 3HG GLN 81 -1.546 12.189 9.775 646 HE21 GLN 81 1HE2 GLN 81 -0.949 14.118 8.794 647 HE22 GLN 81 2HE2 GLN 81 -2.040 15.031 7.818 648 H ASP 82 H ASP 82 1.497 10.252 8.940 649 HA ASP 82 HA ASP 82 1.945 11.987 11.076 650 HB2 ASP 82 2HB ASP 82 2.441 9.600 11.189 651 HB3 ASP 82 3HB ASP 82 3.709 9.783 9.982 652 H LEU 83 H LEU 83 3.890 11.490 8.131 653 HA LEU 83 HA LEU 83 5.934 13.316 8.788 654 HB2 LEU 83 2HB LEU 83 4.974 12.439 6.062 655 HB3 LEU 83 3HB LEU 83 6.469 13.304 6.371 656 HG LEU 83 HG LEU 83 5.771 10.478 7.180 657 HD11 LEU 83 1HD1 LEU 83 7.952 11.635 5.450 658 HD12 LEU 83 2HD1 LEU 83 6.546 10.717 4.910 659 HD13 LEU 83 3HD1 LEU 83 7.785 9.932 5.886 660 HD21 LEU 83 3HD2 LEU 83 8.176 12.102 8.027 661 HD22 LEU 83 1HD2 LEU 83 7.965 10.367 8.275 662 HD23 LEU 83 2HD2 LEU 83 6.887 11.509 9.075 663 H LYS 84 H LYS 84 2.816 13.808 7.159 664 HA LYS 84 HA LYS 84 3.285 16.531 6.467 665 HB2 LYS 84 2HB LYS 84 0.654 15.124 6.982 666 HB3 LYS 84 3HB LYS 84 0.831 16.703 6.226 667 HG2 LYS 84 2HG LYS 84 2.111 15.642 4.391 668 HG3 LYS 84 3HG LYS 84 1.821 14.071 5.137 669 HD2 LYS 84 2HD LYS 84 0.144 14.187 3.530 670 HD3 LYS 84 3HD LYS 84 -0.687 14.718 4.990 671 HE2 LYS 84 2HE LYS 84 0.457 16.524 2.850 672 HE3 LYS 84 3HE LYS 84 -1.245 16.114 3.043 673 HZ1 LYS 84 3HZ LYS 84 -0.928 18.219 4.018 674 HZ2 LYS 84 1HZ LYS 84 0.447 17.721 4.871 675 HZ3 LYS 84 2HZ LYS 84 -1.077 17.138 5.311 676 H ASN 85 H ASN 85 1.817 14.986 9.317 677 HA ASN 85 HA ASN 85 1.062 17.322 10.696 678 HB2 ASN 85 2HB ASN 85 1.990 14.685 11.876 679 HB3 ASN 85 3HB ASN 85 1.075 15.930 12.723 680 HD21 ASN 85 1HD2 ASN 85 0.415 13.151 12.227 681 HD22 ASN 85 2HD2 ASN 85 -1.090 13.160 11.380 682 H GLN 86 H GLN 86 4.062 15.411 10.884 683 HA GLN 86 HA GLN 86 5.358 17.404 12.555 684 HB2 GLN 86 2HB GLN 86 6.366 14.827 11.335 685 HB3 GLN 86 3HB GLN 86 7.327 15.863 12.383 686 HG2 GLN 86 2HG GLN 86 5.715 15.521 14.197 687 HG3 GLN 86 3HG GLN 86 4.760 14.475 13.144 688 HE21 GLN 86 1HE2 GLN 86 5.514 12.415 12.678 689 HE22 GLN 86 2HE2 GLN 86 6.808 11.682 13.552 690 H ASN 87 H ASN 87 4.700 17.338 9.365 691 HA ASN 87 HA ASN 87 5.453 18.432 7.530 692 HB2 ASN 87 2HB ASN 87 7.064 20.046 9.520 693 HB3 ASN 87 3HB ASN 87 6.597 20.549 7.896 694 HD21 ASN 87 1HD2 ASN 87 4.366 20.917 7.479 695 HD22 ASN 87 2HD2 ASN 87 3.277 21.321 8.754 696 H LYS 88 H LYS 88 7.022 16.109 8.532 697 HA LYS 88 HA LYS 88 9.798 16.626 7.991 698 HB2 LYS 88 2HB LYS 88 8.262 14.049 8.352 699 HB3 LYS 88 3HB LYS 88 10.000 14.122 8.112 700 HG2 LYS 88 2HG LYS 88 10.200 15.445 10.195 701 HG3 LYS 88 3HG LYS 88 8.460 15.261 10.441 702 HD2 LYS 88 2HD LYS 88 8.701 12.837 10.534 703 HD3 LYS 88 3HD LYS 88 10.426 12.974 10.197 704 HE2 LYS 88 2HE LYS 88 10.709 14.209 12.315 705 HE3 LYS 88 3HE LYS 88 8.992 13.993 12.651 706 HZ1 LYS 88 3HZ LYS 88 10.336 12.335 13.787 707 HZ2 LYS 88 1HZ LYS 88 10.970 11.805 12.312 708 HZ3 LYS 88 2HZ LYS 88 9.327 11.604 12.647 709 H GLN 89 H GLN 89 10.114 17.308 5.868 710 HA GLN 89 HA GLN 89 9.269 15.552 3.702 711 HB2 GLN 89 2HB GLN 89 10.960 18.065 3.690 712 HB3 GLN 89 3HB GLN 89 10.557 17.140 2.249 713 HG2 GLN 89 2HG GLN 89 8.155 17.537 2.721 714 HG3 GLN 89 3HG GLN 89 8.626 18.567 4.071 715 HE21 GLN 89 1HE2 GLN 89 7.134 19.214 1.641 716 HE22 GLN 89 2HE2 GLN 89 8.007 20.494 0.880 717 H ILE 90 H ILE 90 10.484 13.826 5.022 718 HA ILE 90 HA ILE 90 13.338 13.808 4.978 719 HB ILE 90 HB ILE 90 13.176 11.452 5.663 720 HG12 ILE 90 2HG1 ILE 90 10.175 11.810 5.349 721 HG13 ILE 90 3HG1 ILE 90 11.194 10.846 4.285 722 HG21 ILE 90 1HG2 ILE 90 11.992 11.829 7.785 723 HG22 ILE 90 2HG2 ILE 90 11.279 13.299 7.119 724 HG23 ILE 90 3HG2 ILE 90 13.025 13.190 7.350 725 HD11 ILE 90 3HD1 ILE 90 10.713 10.335 7.214 726 HD12 ILE 90 1HD1 ILE 90 11.743 9.370 6.156 727 HD13 ILE 90 2HD1 ILE 90 10.005 9.448 5.866 728 H SER 91 H SER 91 14.573 11.947 3.944 729 HA SER 91 HA SER 91 14.126 12.108 1.095 730 HB2 SER 91 2HB SER 91 16.267 10.638 2.664 731 HB3 SER 91 3HB SER 91 16.259 10.855 0.914 732 HG SER 91 HG SER 91 15.944 13.211 2.280 733 H MET 92 H MET 92 13.811 10.381 -0.352 734 HA MET 92 HA MET 92 11.932 8.450 0.295 735 HB2 MET 92 2HB MET 92 12.374 9.181 -1.990 736 HB3 MET 92 3HB MET 92 13.966 8.441 -1.949 737 HG2 MET 92 2HG MET 92 11.439 6.846 -1.634 738 HG3 MET 92 3HG MET 92 12.146 7.208 -3.207 739 HE1 MET 92 3HE MET 92 12.283 4.646 -3.793 740 HE2 MET 92 1HE MET 92 11.557 4.247 -2.236 741 HE3 MET 92 2HE MET 92 13.034 3.434 -2.754 742 H ALA 93 H ALA 93 15.464 8.119 0.196 743 HA ALA 93 HA ALA 93 15.710 5.400 0.754 744 HB1 ALA 93 3HB ALA 93 17.491 7.631 1.742 745 HB2 ALA 93 1HB ALA 93 17.600 6.848 0.164 746 HB3 ALA 93 2HB ALA 93 17.923 5.923 1.630 747 H GLU 94 H GLU 94 15.052 8.078 2.966 748 HA GLU 94 HA GLU 94 15.352 6.555 5.365 749 HB2 GLU 94 2HB GLU 94 13.821 9.139 4.957 750 HB3 GLU 94 3HB GLU 94 14.375 8.483 6.495 751 HG2 GLU 94 2HG GLU 94 16.730 8.658 5.582 752 HG3 GLU 94 3HG GLU 94 16.047 9.576 4.244 753 H ALA 95 H ALA 95 12.614 7.345 3.268 754 HA ALA 95 HA ALA 95 10.553 6.223 4.827 755 HB1 ALA 95 3HB ALA 95 10.115 7.588 2.847 756 HB2 ALA 95 1HB ALA 95 9.308 6.025 2.720 757 HB3 ALA 95 2HB ALA 95 10.791 6.329 1.815 758 H GLN 96 H GLN 96 12.833 4.760 2.542 759 HA GLN 96 HA GLN 96 11.847 2.091 2.785 760 HB2 GLN 96 2HB GLN 96 14.465 3.240 1.814 761 HB3 GLN 96 3HB GLN 96 14.177 1.504 1.878 762 HG2 GLN 96 2HG GLN 96 12.459 3.456 0.352 763 HG3 GLN 96 3HG GLN 96 13.772 2.511 -0.351 764 HE21 GLN 96 1HE2 GLN 96 10.582 2.368 1.051 765 HE22 GLN 96 2HE2 GLN 96 10.207 0.767 0.524 766 H GLY 97 H GLY 97 14.000 4.036 4.730 767 HA2 GLY 97 2HA GLY 97 15.128 1.955 6.295 768 HA3 GLY 97 3HA GLY 97 14.931 3.628 6.800 769 H LYS 98 H LYS 98 12.047 3.642 6.450 770 HA LYS 98 HA LYS 98 11.264 2.290 8.904 771 HB2 LYS 98 2HB LYS 98 10.494 4.535 8.708 772 HB3 LYS 98 3HB LYS 98 9.869 4.260 7.088 773 HG2 LYS 98 2HG LYS 98 8.082 4.435 8.756 774 HG3 LYS 98 3HG LYS 98 8.094 2.862 7.964 775 HD2 LYS 98 2HD LYS 98 9.299 1.933 9.934 776 HD3 LYS 98 3HD LYS 98 9.145 3.502 10.728 777 HE2 LYS 98 2HE LYS 98 6.736 3.333 10.705 778 HE3 LYS 98 3HE LYS 98 6.811 1.856 9.747 779 HZ1 LYS 98 3HZ LYS 98 7.896 0.748 11.597 780 HZ2 LYS 98 1HZ LYS 98 6.404 1.382 12.078 781 HZ3 LYS 98 2HZ LYS 98 7.834 2.164 12.517 782 H PHE 99 H PHE 99 10.500 2.095 5.436 783 HA PHE 99 HA PHE 99 9.123 -0.461 5.982 784 HB2 PHE 99 2HB PHE 99 8.376 1.606 3.903 785 HB3 PHE 99 3HB PHE 99 7.668 -0.002 4.008 786 HD1 PHE 99 HD2 PHE 99 6.537 -0.615 6.261 787 HD2 PHE 99 HD1 PHE 99 7.382 3.374 5.027 788 HE1 PHE 99 HE2 PHE 99 4.836 0.228 7.823 789 HE2 PHE 99 HE1 PHE 99 5.680 4.218 6.588 790 HZ PHE 99 HZ PHE 99 4.403 2.645 7.987 791 HA PRO 100 HA PRO 100 12.645 -1.173 2.930 792 HB2 PRO 100 2HB PRO 100 13.653 -3.366 4.226 793 HB3 PRO 100 3HB PRO 100 14.184 -1.712 4.553 794 HG2 PRO 100 2HG PRO 100 12.209 -3.396 6.056 795 HG3 PRO 100 3HG PRO 100 13.499 -2.354 6.687 796 HD2 PRO 100 2HD PRO 100 10.924 -1.557 6.638 797 HD3 PRO 100 3HD PRO 100 12.261 -0.418 6.382 798 H GLU 101 H GLU 101 10.103 -3.012 4.384 799 HA GLU 101 HA GLU 101 10.218 -5.247 2.549 800 HB2 GLU 101 2HB GLU 101 7.978 -4.467 4.426 801 HB3 GLU 101 3HB GLU 101 8.269 -6.050 3.716 802 HG2 GLU 101 2HG GLU 101 10.171 -6.422 5.069 803 HG3 GLU 101 3HG GLU 101 10.233 -4.734 5.580 804 H VAL 102 H VAL 102 8.600 -2.165 2.744 805 HA VAL 102 HA VAL 102 6.674 -2.887 0.645 806 HB VAL 102 HB VAL 102 6.851 -0.352 2.296 807 HG11 VAL 102 1HG1 VAL 102 4.679 -1.340 0.440 808 HG12 VAL 102 2HG1 VAL 102 5.752 0.032 0.157 809 HG13 VAL 102 3HG1 VAL 102 4.574 0.089 1.468 810 HG21 VAL 102 3HG2 VAL 102 4.991 -2.720 2.602 811 HG22 VAL 102 1HG2 VAL 102 4.936 -1.228 3.542 812 HG23 VAL 102 2HG2 VAL 102 6.324 -2.308 3.682 813 H VAL 103 H VAL 103 6.867 -2.158 -1.426 814 HA VAL 103 HA VAL 103 9.342 -0.797 -2.098 815 HB VAL 103 HB VAL 103 7.192 -1.879 -3.931 816 HG11 VAL 103 1HG1 VAL 103 10.009 -0.959 -4.533 817 HG12 VAL 103 2HG1 VAL 103 8.513 -0.176 -5.045 818 HG13 VAL 103 3HG1 VAL 103 8.936 -1.767 -5.677 819 HG21 VAL 103 3HG2 VAL 103 8.725 -3.774 -4.276 820 HG22 VAL 103 1HG2 VAL 103 8.198 -3.653 -2.598 821 HG23 VAL 103 2HG2 VAL 103 9.812 -3.110 -3.054 822 H PHE 104 H PHE 104 9.225 1.357 -1.690 823 HA PHE 104 HA PHE 104 7.008 2.974 -2.628 824 HB2 PHE 104 2HB PHE 104 9.677 3.657 -1.369 825 HB3 PHE 104 3HB PHE 104 8.556 4.890 -1.937 826 HD1 PHE 104 HD1 PHE 104 8.459 1.806 0.186 827 HD2 PHE 104 HD2 PHE 104 7.194 5.842 -0.337 828 HE1 PHE 104 HE1 PHE 104 7.279 1.717 2.339 829 HE2 PHE 104 HE2 PHE 104 6.015 5.750 1.821 830 HZ PHE 104 HZ PHE 104 6.058 3.685 3.159 831 H SER 105 H SER 105 6.988 4.292 -4.441 832 HA SER 105 HA SER 105 8.334 3.461 -6.724 833 HB2 SER 105 2HB SER 105 6.291 4.805 -6.849 834 HB3 SER 105 3HB SER 105 7.140 6.193 -6.170 835 HG SER 105 HG SER 105 7.780 4.906 -8.630 836 H GLY 106 H GLY 106 10.460 3.487 -7.087 837 HA2 GLY 106 2HA GLY 106 12.004 5.887 -6.290 838 HA3 GLY 106 3HA GLY 106 12.624 4.259 -6.068 839 H SER 107 H SER 107 14.332 4.183 -7.397 840 HA SER 107 HA SER 107 13.901 4.645 -10.271 841 HB2 SER 107 2HB SER 107 16.143 5.786 -10.367 842 HB3 SER 107 3HB SER 107 14.920 6.696 -9.480 843 HG SER 107 HG SER 107 17.239 6.181 -8.589 844 H ASN 108 H ASN 108 16.661 4.219 -10.946 845 HA ASN 108 HA ASN 108 16.783 1.495 -11.330 846 HB2 ASN 108 2HB ASN 108 19.296 1.927 -11.683 847 HB3 ASN 108 3HB ASN 108 18.165 2.828 -12.685 848 HD21 ASN 108 1HD2 ASN 108 20.367 3.031 -9.976 849 HD22 ASN 108 2HD2 ASN 108 20.506 4.751 -9.986 850 H LEU 109 H LEU 109 16.769 -0.062 -9.813 851 HA LEU 109 HA LEU 109 17.307 -1.358 -8.024 852 HB2 LEU 109 2HB LEU 109 19.985 0.025 -8.313 853 HB3 LEU 109 3HB LEU 109 19.692 -1.388 -7.320 854 HG LEU 109 HG LEU 109 18.979 -2.575 -9.474 855 HD11 LEU 109 1HD1 LEU 109 19.944 -1.691 -11.554 856 HD12 LEU 109 2HD1 LEU 109 20.376 -0.202 -10.711 857 HD13 LEU 109 3HD1 LEU 109 18.681 -0.647 -10.905 858 HD21 LEU 109 3HD2 LEU 109 21.084 -3.014 -8.302 859 HD22 LEU 109 1HD2 LEU 109 21.856 -1.703 -9.194 860 HD23 LEU 109 2HD2 LEU 109 21.276 -3.132 -10.050 861 H GLU 110 H GLU 110 18.724 -1.118 -5.726 862 HA GLU 110 HA GLU 110 17.464 0.911 -4.172 863 HB2 GLU 110 2HB GLU 110 19.937 -0.730 -3.535 864 HB3 GLU 110 3HB GLU 110 19.007 0.210 -2.375 865 HG2 GLU 110 2HG GLU 110 17.065 -1.237 -2.766 866 HG3 GLU 110 3HG GLU 110 18.007 -2.184 -3.916 867 H HIS 111 H HIS 111 17.889 2.816 -5.341 868 HA HIS 111 HA HIS 111 20.088 3.768 -6.533 869 HB2 HIS 111 2HB HIS 111 19.271 6.051 -6.110 870 HB3 HIS 111 3HB HIS 111 17.964 4.954 -6.538 871 HD1 HIS 111 HD1 HIS 111 19.193 7.150 -3.817 872 HD2 HIS 111 HD2 HIS 111 16.161 4.369 -4.407 873 HE1 HIS 111 HE1 HIS 111 17.628 7.439 -1.880 874 HE2 HIS 111 HE2 HIS 111 15.686 5.928 -2.403 875 H HIS 112 H HIS 112 19.569 4.008 -3.023 876 HA HIS 112 HA HIS 112 22.452 4.267 -2.678 877 HB2 HIS 112 2HB HIS 112 21.583 6.607 -2.751 878 HB3 HIS 112 3HB HIS 112 20.558 6.241 -1.368 879 HD1 HIS 112 HD1 HIS 112 21.792 5.849 0.937 880 HD2 HIS 112 HD2 HIS 112 24.235 7.154 -2.164 881 HE1 HIS 112 HE1 HIS 112 23.931 6.585 2.026 882 HE2 HIS 112 HE2 HIS 112 25.364 7.432 0.146 883 H HIS 113 H HIS 113 22.550 2.277 -1.692 884 HA HIS 113 HA HIS 113 21.089 2.040 0.864 885 HB2 HIS 113 2HB HIS 113 20.980 -0.380 0.567 886 HB3 HIS 113 3HB HIS 113 20.192 0.452 -0.766 887 HD1 HIS 113 HD1 HIS 113 21.574 -2.518 -0.613 888 HD2 HIS 113 HD2 HIS 113 22.905 0.840 -2.671 889 HE1 HIS 113 HE1 HIS 113 23.019 -3.393 -2.470 890 HE2 HIS 113 HE2 HIS 113 23.764 -1.356 -3.735 891 H HIS 114 H HIS 114 22.497 2.505 2.387 892 HA HIS 114 HA HIS 114 25.097 1.092 2.423 893 HB2 HIS 114 2HB HIS 114 25.361 3.517 2.302 894 HB3 HIS 114 3HB HIS 114 24.295 3.734 3.682 895 HD1 HIS 114 HD1 HIS 114 27.713 2.313 2.852 896 HD2 HIS 114 HD2 HIS 114 25.560 3.730 6.111 897 HE1 HIS 114 HE1 HIS 114 29.353 2.428 4.743 898 HE2 HIS 114 HE2 HIS 114 28.071 3.453 6.647 899 H HIS 115 H HIS 115 22.122 0.729 3.566 900 HA HIS 115 HA HIS 115 22.866 -0.789 5.859 901 HB2 HIS 115 2HB HIS 115 21.794 0.504 7.605 902 HB3 HIS 115 3HB HIS 115 22.980 1.531 6.806 903 HD1 HIS 115 HD1 HIS 115 19.334 1.179 7.442 904 HD2 HIS 115 HD2 HIS 115 21.876 3.650 5.272 905 HE1 HIS 115 HE1 HIS 115 17.940 3.138 6.758 906 HE2 HIS 115 HE2 HIS 115 19.542 4.707 5.626 907 H HIS 116 H HIS 116 20.681 -1.235 7.196 908 HA HIS 116 HA HIS 116 18.394 -1.415 5.337 909 HB2 HIS 116 2HB HIS 116 19.384 -3.639 5.500 910 HB3 HIS 116 3HB HIS 116 19.352 -3.559 7.258 911 HD1 HIS 116 HD1 HIS 116 16.958 -3.665 8.386 912 HD2 HIS 116 HD2 HIS 116 17.048 -4.533 4.323 913 HE1 HIS 116 HE1 HIS 116 14.779 -4.808 7.896 914 HE2 HIS 116 HE2 HIS 116 14.940 -5.491 5.485 Start of MODEL 14 1 H1 MET 1 1H MET 1 1.420 -26.259 3.592 2 H2 MET 1 2H MET 1 0.731 -27.432 4.595 3 H3 MET 1 3H MET 1 1.047 -25.886 5.200 4 HA MET 1 HA MET 1 -1.295 -26.158 4.776 5 HB2 MET 1 2HB MET 1 0.173 -24.261 2.937 6 HB3 MET 1 3HB MET 1 -1.572 -24.225 3.147 7 HG2 MET 1 2HG MET 1 0.477 -23.801 5.317 8 HG3 MET 1 3HG MET 1 -0.481 -22.546 4.529 9 HE1 MET 1 3HE MET 1 -2.101 -22.599 8.077 10 HE2 MET 1 1HE MET 1 -1.428 -21.590 6.796 11 HE3 MET 1 2HE MET 1 -0.394 -22.733 7.653 12 H ALA 2 H ALA 2 -2.396 -27.804 3.889 13 HA ALA 2 HA ALA 2 -1.990 -28.509 1.074 14 HB1 ALA 2 3HB ALA 2 -2.108 -30.313 2.744 15 HB2 ALA 2 1HB ALA 2 -3.385 -30.445 1.536 16 HB3 ALA 2 2HB ALA 2 -3.754 -29.825 3.145 17 H ALA 3 H ALA 3 -2.982 -26.902 -0.128 18 HA ALA 3 HA ALA 3 -5.900 -26.848 -0.062 19 HB1 ALA 3 3HB ALA 3 -5.272 -25.023 1.435 20 HB2 ALA 3 1HB ALA 3 -6.008 -24.401 -0.043 21 HB3 ALA 3 2HB ALA 3 -4.258 -24.321 0.173 22 H SER 4 H SER 4 -6.836 -26.402 -2.044 23 HA SER 4 HA SER 4 -5.137 -26.665 -4.352 24 HB2 SER 4 2HB SER 4 -8.127 -26.168 -4.198 25 HB3 SER 4 3HB SER 4 -7.236 -26.638 -5.645 26 HG SER 4 HG SER 4 -8.348 -28.310 -4.166 27 H THR 5 H THR 5 -3.904 -24.678 -3.909 28 HA THR 5 HA THR 5 -4.973 -22.442 -5.448 29 HB THR 5 HB THR 5 -3.946 -22.004 -2.623 30 HG1 THR 5 HG1 THR 5 -6.488 -22.391 -3.624 31 HG21 THR 5 3HG2 THR 5 -4.615 -19.658 -2.990 32 HG22 THR 5 1HG2 THR 5 -5.028 -20.048 -4.662 33 HG23 THR 5 2HG2 THR 5 -3.356 -20.164 -4.115 34 H VAL 6 H VAL 6 -3.369 -21.315 -6.522 35 HA VAL 6 HA VAL 6 -0.733 -22.463 -6.543 36 HB VAL 6 HB VAL 6 -1.709 -21.722 -8.637 37 HG11 VAL 6 1HG1 VAL 6 -2.055 -19.348 -9.153 38 HG12 VAL 6 2HG1 VAL 6 -1.657 -18.927 -7.487 39 HG13 VAL 6 3HG1 VAL 6 -3.095 -19.887 -7.835 40 HG21 VAL 6 3HG2 VAL 6 0.674 -20.023 -7.873 41 HG22 VAL 6 1HG2 VAL 6 0.166 -20.405 -9.519 42 HG23 VAL 6 2HG2 VAL 6 0.725 -21.689 -8.448 43 H HIS 7 H HIS 7 1.038 -21.790 -5.501 44 HA HIS 7 HA HIS 7 0.912 -19.929 -3.397 45 HB2 HIS 7 2HB HIS 7 2.475 -21.790 -3.361 46 HB3 HIS 7 3HB HIS 7 3.310 -21.163 -4.777 47 HD1 HIS 7 HD1 HIS 7 4.819 -19.060 -4.426 48 HD2 HIS 7 HD2 HIS 7 3.229 -20.658 -0.931 49 HE1 HIS 7 HE1 HIS 7 6.147 -18.042 -2.552 50 HE2 HIS 7 HE2 HIS 7 5.268 -19.132 -0.467 51 H THR 8 H THR 8 0.180 -17.955 -4.236 52 HA THR 8 HA THR 8 2.051 -16.484 -5.988 53 HB THR 8 HB THR 8 -0.852 -15.802 -5.427 54 HG1 THR 8 HG1 THR 8 -0.592 -17.815 -6.575 55 HG21 THR 8 3HG2 THR 8 1.047 -14.837 -7.579 56 HG22 THR 8 1HG2 THR 8 0.529 -13.907 -6.173 57 HG23 THR 8 2HG2 THR 8 -0.645 -14.372 -7.404 58 H SER 9 H SER 9 3.417 -15.315 -4.749 59 HA SER 9 HA SER 9 2.683 -14.184 -2.208 60 HB2 SER 9 2HB SER 9 5.106 -13.651 -3.951 61 HB3 SER 9 3HB SER 9 4.927 -13.154 -2.269 62 HG SER 9 HG SER 9 5.363 -15.698 -3.358 63 H PHE 10 H PHE 10 2.865 -11.805 -1.751 64 HA PHE 10 HA PHE 10 1.856 -10.205 -4.018 65 HB2 PHE 10 2HB PHE 10 0.683 -10.280 -1.225 66 HB3 PHE 10 3HB PHE 10 0.206 -9.146 -2.487 67 HD1 PHE 10 HD1 PHE 10 -0.821 -10.050 -4.607 68 HD2 PHE 10 HD2 PHE 10 -0.248 -12.450 -1.131 69 HE1 PHE 10 HE1 PHE 10 -2.460 -11.675 -5.461 70 HE2 PHE 10 HE2 PHE 10 -1.881 -14.077 -1.983 71 HZ PHE 10 HZ PHE 10 -2.988 -13.694 -4.151 72 H ILE 11 H ILE 11 2.843 -8.333 -4.298 73 HA ILE 11 HA ILE 11 4.659 -7.325 -2.198 74 HB ILE 11 HB ILE 11 4.654 -6.677 -5.161 75 HG12 ILE 11 2HG1 ILE 11 6.382 -8.616 -3.594 76 HG13 ILE 11 3HG1 ILE 11 5.208 -9.029 -4.837 77 HG21 ILE 11 1HG2 ILE 11 6.893 -5.738 -4.728 78 HG22 ILE 11 2HG2 ILE 11 6.687 -6.060 -3.006 79 HG23 ILE 11 3HG2 ILE 11 5.635 -4.900 -3.818 80 HD11 ILE 11 3HD1 ILE 11 7.470 -9.159 -5.691 81 HD12 ILE 11 1HD1 ILE 11 7.751 -7.473 -5.260 82 HD13 ILE 11 2HD1 ILE 11 6.570 -7.880 -6.506 83 H LEU 12 H LEU 12 4.444 -5.253 -1.414 84 HA LEU 12 HA LEU 12 2.139 -3.686 -2.358 85 HB2 LEU 12 2HB LEU 12 2.236 -4.174 0.044 86 HB3 LEU 12 3HB LEU 12 3.813 -3.410 0.146 87 HG LEU 12 HG LEU 12 2.761 -1.241 -0.510 88 HD11 LEU 12 1HD1 LEU 12 0.320 -1.025 -0.370 89 HD12 LEU 12 2HD1 LEU 12 0.177 -2.775 -0.207 90 HD13 LEU 12 3HD1 LEU 12 0.814 -2.076 -1.697 91 HD21 LEU 12 3HD2 LEU 12 1.627 -2.567 1.957 92 HD22 LEU 12 1HD2 LEU 12 1.672 -0.828 1.655 93 HD23 LEU 12 2HD2 LEU 12 3.176 -1.730 1.835 94 H LYS 13 H LYS 13 2.518 -2.078 -3.762 95 HA LYS 13 HA LYS 13 5.080 -0.618 -3.582 96 HB2 LYS 13 2HB LYS 13 3.224 -0.743 -5.970 97 HB3 LYS 13 3HB LYS 13 4.798 0.040 -5.904 98 HG2 LYS 13 2HG LYS 13 5.648 -2.361 -5.296 99 HG3 LYS 13 3HG LYS 13 4.126 -2.870 -6.029 100 HD2 LYS 13 2HD LYS 13 6.411 -1.373 -7.305 101 HD3 LYS 13 3HD LYS 13 5.746 -2.941 -7.758 102 HE2 LYS 13 2HE LYS 13 4.342 -0.279 -8.031 103 HE3 LYS 13 3HE LYS 13 5.094 -1.181 -9.341 104 HZ1 LYS 13 3HZ LYS 13 3.492 -2.903 -9.115 105 HZ2 LYS 13 1HZ LYS 13 2.649 -1.438 -9.169 106 HZ3 LYS 13 2HZ LYS 13 2.867 -2.244 -7.695 107 H VAL 14 H VAL 14 5.064 1.504 -3.140 108 HA VAL 14 HA VAL 14 2.450 2.872 -2.964 109 HB VAL 14 HB VAL 14 4.894 3.291 -1.220 110 HG11 VAL 14 1HG1 VAL 14 2.181 4.620 -1.093 111 HG12 VAL 14 2HG1 VAL 14 3.687 5.386 -1.599 112 HG13 VAL 14 3HG1 VAL 14 3.494 4.836 0.065 113 HG21 VAL 14 3HG2 VAL 14 2.194 2.087 -0.577 114 HG22 VAL 14 1HG2 VAL 14 3.476 2.412 0.592 115 HG23 VAL 14 2HG2 VAL 14 3.726 1.219 -0.684 116 H LEU 15 H LEU 15 2.246 4.359 -4.499 117 HA LEU 15 HA LEU 15 4.559 5.629 -5.727 118 HB2 LEU 15 2HB LEU 15 2.331 4.805 -6.853 119 HB3 LEU 15 3HB LEU 15 1.701 6.350 -6.322 120 HG LEU 15 HG LEU 15 4.052 5.960 -8.195 121 HD11 LEU 15 1HD1 LEU 15 2.561 6.838 -9.920 122 HD12 LEU 15 2HD1 LEU 15 1.238 6.893 -8.755 123 HD13 LEU 15 3HD1 LEU 15 1.935 5.342 -9.224 124 HD21 LEU 15 3HD2 LEU 15 4.311 7.998 -6.888 125 HD22 LEU 15 1HD2 LEU 15 2.673 8.498 -7.306 126 HD23 LEU 15 2HD2 LEU 15 3.907 8.386 -8.560 127 H TRP 16 H TRP 16 5.463 7.134 -4.400 128 HA TRP 16 HA TRP 16 3.848 8.764 -2.631 129 HB2 TRP 16 2HB TRP 16 6.146 7.712 -2.111 130 HB3 TRP 16 3HB TRP 16 6.830 9.024 -3.062 131 HD1 TRP 16 HD1 TRP 16 6.326 11.578 -2.067 132 HE1 TRP 16 HE1 TRP 16 6.142 12.347 0.380 133 HE3 TRP 16 HE3 TRP 16 5.462 7.047 0.148 134 HZ2 TRP 16 HZ2 TRP 16 5.705 11.189 2.916 135 HZ3 TRP 16 HZ3 TRP 16 5.176 6.967 2.592 136 HH2 TRP 16 HH2 TRP 16 5.295 8.994 3.945 137 H LEU 17 H LEU 17 2.920 10.608 -3.299 138 HA LEU 17 HA LEU 17 4.054 12.066 -5.585 139 HB2 LEU 17 2HB LEU 17 1.370 12.309 -4.213 140 HB3 LEU 17 3HB LEU 17 1.877 13.272 -5.587 141 HG LEU 17 HG LEU 17 1.525 10.266 -5.606 142 HD11 LEU 17 1HD1 LEU 17 -0.206 12.440 -6.792 143 HD12 LEU 17 2HD1 LEU 17 -0.612 11.432 -5.400 144 HD13 LEU 17 3HD1 LEU 17 -0.440 10.702 -6.997 145 HD21 LEU 17 3HD2 LEU 17 3.245 11.000 -7.171 146 HD22 LEU 17 1HD2 LEU 17 2.139 12.195 -7.849 147 HD23 LEU 17 2HD2 LEU 17 1.802 10.474 -8.037 148 H ASP 18 H ASP 18 3.283 14.588 -5.284 149 HA ASP 18 HA ASP 18 5.220 15.724 -3.617 150 HB2 ASP 18 2HB ASP 18 2.742 17.065 -4.731 151 HB3 ASP 18 3HB ASP 18 4.236 17.862 -4.235 152 H GLN 19 H GLN 19 1.721 16.337 -3.250 153 HA GLN 19 HA GLN 19 2.107 16.382 -0.319 154 HB2 GLN 19 2HB GLN 19 0.022 17.799 -1.999 155 HB3 GLN 19 3HB GLN 19 0.115 17.853 -0.244 156 HG2 GLN 19 2HG GLN 19 2.352 18.886 -0.426 157 HG3 GLN 19 3HG GLN 19 2.176 18.901 -2.178 158 HE21 GLN 19 1HE2 GLN 19 -0.681 19.580 -2.037 159 HE22 GLN 19 2HE2 GLN 19 -0.742 21.243 -1.586 160 H ASN 20 H ASN 20 0.949 14.455 -2.694 161 HA ASN 20 HA ASN 20 -1.083 13.204 -0.945 162 HB2 ASN 20 2HB ASN 20 -0.989 13.180 -3.975 163 HB3 ASN 20 3HB ASN 20 -2.206 12.389 -2.977 164 HD21 ASN 20 1HD2 ASN 20 -3.770 13.642 -1.965 165 HD22 ASN 20 2HD2 ASN 20 -4.056 15.291 -2.393 166 H VAL 21 H VAL 21 -1.401 10.771 -1.769 167 HA VAL 21 HA VAL 21 1.077 9.528 -2.657 168 HB VAL 21 HB VAL 21 1.401 9.714 -0.228 169 HG11 VAL 21 1HG1 VAL 21 -1.116 8.068 0.007 170 HG12 VAL 21 2HG1 VAL 21 -0.926 9.756 0.479 171 HG13 VAL 21 3HG1 VAL 21 -0.037 8.496 1.335 172 HG21 VAL 21 3HG2 VAL 21 0.873 6.872 -1.094 173 HG22 VAL 21 1HG2 VAL 21 1.890 7.372 0.258 174 HG23 VAL 21 2HG2 VAL 21 2.352 7.785 -1.395 175 H ALA 22 H ALA 22 0.787 7.372 -3.426 176 HA ALA 22 HA ALA 22 -2.008 6.416 -3.541 177 HB1 ALA 22 3HB ALA 22 -0.033 6.392 -5.826 178 HB2 ALA 22 1HB ALA 22 -1.426 7.462 -5.674 179 HB3 ALA 22 2HB ALA 22 -1.666 5.725 -5.860 180 H ILE 23 H ILE 23 -2.306 4.143 -3.631 181 HA ILE 23 HA ILE 23 0.094 2.520 -3.019 182 HB ILE 23 HB ILE 23 -1.267 1.195 -1.413 183 HG12 ILE 23 2HG1 ILE 23 -3.303 3.416 -1.782 184 HG13 ILE 23 3HG1 ILE 23 -3.501 1.748 -2.306 185 HG21 ILE 23 1HG2 ILE 23 -1.062 4.138 -0.750 186 HG22 ILE 23 2HG2 ILE 23 0.233 2.949 -0.606 187 HG23 ILE 23 3HG2 ILE 23 -1.198 2.821 0.417 188 HD11 ILE 23 3HD1 ILE 23 -3.243 2.687 0.547 189 HD12 ILE 23 1HD1 ILE 23 -3.436 1.013 0.025 190 HD13 ILE 23 2HD1 ILE 23 -4.727 2.179 -0.259 191 H ALA 24 H ALA 24 0.116 0.377 -3.718 192 HA ALA 24 HA ALA 24 -2.184 -0.836 -4.990 193 HB1 ALA 24 3HB ALA 24 -1.320 0.601 -6.795 194 HB2 ALA 24 1HB ALA 24 -1.182 -1.114 -7.188 195 HB3 ALA 24 2HB ALA 24 0.243 -0.207 -6.676 196 H VAL 25 H VAL 25 -1.774 -3.081 -5.642 197 HA VAL 25 HA VAL 25 0.615 -4.271 -4.364 198 HB VAL 25 HB VAL 25 -2.211 -5.375 -4.340 199 HG11 VAL 25 1HG1 VAL 25 -0.611 -7.193 -4.596 200 HG12 VAL 25 2HG1 VAL 25 -1.293 -7.208 -2.969 201 HG13 VAL 25 3HG1 VAL 25 0.335 -6.581 -3.238 202 HG21 VAL 25 3HG2 VAL 25 -1.855 -3.567 -2.727 203 HG22 VAL 25 1HG2 VAL 25 -0.452 -4.414 -2.075 204 HG23 VAL 25 2HG2 VAL 25 -2.063 -5.114 -1.909 205 H ASP 26 H ASP 26 1.603 -5.973 -5.427 206 HA ASP 26 HA ASP 26 0.560 -6.683 -8.101 207 HB2 ASP 26 2HB ASP 26 3.454 -6.629 -7.200 208 HB3 ASP 26 3HB ASP 26 2.873 -6.974 -8.826 209 H GLN 27 H GLN 27 0.585 -8.841 -8.722 210 HA GLN 27 HA GLN 27 0.977 -10.808 -6.579 211 HB2 GLN 27 2HB GLN 27 -0.345 -12.330 -7.961 212 HB3 GLN 27 3HB GLN 27 -1.196 -10.808 -7.739 213 HG2 GLN 27 2HG GLN 27 -0.508 -10.095 -9.981 214 HG3 GLN 27 3HG GLN 27 0.343 -11.621 -10.205 215 HE21 GLN 27 1HE2 GLN 27 -0.876 -13.525 -10.467 216 HE22 GLN 27 2HE2 GLN 27 -2.538 -13.474 -10.933 217 H ILE 28 H ILE 28 2.638 -12.238 -6.591 218 HA ILE 28 HA ILE 28 4.521 -12.194 -8.809 219 HB ILE 28 HB ILE 28 4.651 -13.686 -6.175 220 HG12 ILE 28 2HG1 ILE 28 5.966 -11.124 -7.135 221 HG13 ILE 28 3HG1 ILE 28 4.763 -11.277 -5.859 222 HG21 ILE 28 1HG2 ILE 28 7.015 -14.079 -6.726 223 HG22 ILE 28 2HG2 ILE 28 6.770 -13.330 -8.304 224 HG23 ILE 28 3HG2 ILE 28 5.939 -14.834 -7.904 225 HD11 ILE 28 3HD1 ILE 28 6.360 -12.511 -4.496 226 HD12 ILE 28 1HD1 ILE 28 6.992 -10.933 -4.959 227 HD13 ILE 28 2HD1 ILE 28 7.561 -12.385 -5.781 228 H VAL 29 H VAL 29 3.997 -13.374 -10.518 229 HA VAL 29 HA VAL 29 2.434 -15.816 -10.282 230 HB VAL 29 HB VAL 29 3.563 -14.627 -12.829 231 HG11 VAL 29 1HG1 VAL 29 2.636 -16.875 -13.038 232 HG12 VAL 29 2HG1 VAL 29 1.622 -15.700 -13.877 233 HG13 VAL 29 3HG1 VAL 29 1.123 -16.333 -12.307 234 HG21 VAL 29 3HG2 VAL 29 0.961 -13.886 -11.475 235 HG22 VAL 29 1HG2 VAL 29 1.475 -13.355 -13.077 236 HG23 VAL 29 2HG2 VAL 29 2.374 -12.844 -11.648 237 H GLY 30 H GLY 30 3.151 -17.798 -11.532 238 HA2 GLY 30 2HA GLY 30 5.509 -18.846 -10.540 239 HA3 GLY 30 3HA GLY 30 4.655 -19.490 -11.929 240 H LYS 31 H LYS 31 5.065 -17.113 -13.594 241 HA LYS 31 HA LYS 31 7.893 -17.610 -14.272 242 HB2 LYS 31 2HB LYS 31 5.673 -16.577 -16.048 243 HB3 LYS 31 3HB LYS 31 7.309 -16.970 -16.558 244 HG2 LYS 31 2HG LYS 31 6.921 -19.322 -15.982 245 HG3 LYS 31 3HG LYS 31 5.275 -18.924 -15.481 246 HD2 LYS 31 2HD LYS 31 6.411 -18.575 -18.265 247 HD3 LYS 31 3HD LYS 31 5.334 -19.873 -17.748 248 HE2 LYS 31 2HE LYS 31 4.658 -16.924 -17.745 249 HE3 LYS 31 3HE LYS 31 4.132 -18.095 -18.953 250 HZ1 LYS 31 3HZ LYS 31 2.411 -17.688 -17.314 251 HZ2 LYS 31 1HZ LYS 31 3.445 -18.167 -16.062 252 HZ3 LYS 31 2HZ LYS 31 2.944 -19.290 -17.221 253 H GLY 32 H GLY 32 6.653 -15.437 -12.410 254 HA2 GLY 32 2HA GLY 32 8.488 -13.538 -12.376 255 HA3 GLY 32 3HA GLY 32 7.593 -13.023 -13.795 256 H THR 33 H THR 33 6.616 -11.191 -13.148 257 HA THR 33 HA THR 33 4.817 -11.312 -10.807 258 HB THR 33 HB THR 33 5.384 -8.963 -10.243 259 HG1 THR 33 HG1 THR 33 6.358 -7.968 -11.863 260 HG21 THR 33 3HG2 THR 33 7.580 -9.411 -9.215 261 HG22 THR 33 1HG2 THR 33 7.739 -10.861 -10.206 262 HG23 THR 33 2HG2 THR 33 6.462 -10.758 -8.992 263 H SER 34 H SER 34 3.030 -9.838 -10.868 264 HA SER 34 HA SER 34 2.481 -8.420 -13.353 265 HB2 SER 34 2HB SER 34 0.760 -10.751 -12.444 266 HB3 SER 34 3HB SER 34 0.349 -9.647 -13.751 267 HG SER 34 HG SER 34 2.754 -10.498 -14.305 268 HA PRO 35 HA PRO 35 0.527 -5.630 -10.462 269 HB2 PRO 35 2HB PRO 35 -1.268 -4.955 -12.750 270 HB3 PRO 35 3HB PRO 35 -0.277 -3.893 -11.743 271 HG2 PRO 35 2HG PRO 35 0.478 -4.473 -14.227 272 HG3 PRO 35 3HG PRO 35 1.676 -4.378 -12.920 273 HD2 PRO 35 2HD PRO 35 0.468 -6.804 -14.217 274 HD3 PRO 35 3HD PRO 35 2.146 -6.517 -13.707 275 H LEU 36 H LEU 36 -1.045 -5.951 -8.970 276 HA LEU 36 HA LEU 36 -3.243 -7.793 -9.636 277 HB2 LEU 36 2HB LEU 36 -1.733 -8.362 -7.749 278 HB3 LEU 36 3HB LEU 36 -2.246 -6.900 -6.926 279 HG LEU 36 HG LEU 36 -4.604 -7.826 -6.968 280 HD11 LEU 36 1HD1 LEU 36 -3.168 -10.346 -7.802 281 HD12 LEU 36 2HD1 LEU 36 -4.346 -9.444 -8.756 282 HD13 LEU 36 3HD1 LEU 36 -4.847 -10.249 -7.270 283 HD21 LEU 36 3HD2 LEU 36 -3.197 -7.874 -4.966 284 HD22 LEU 36 1HD2 LEU 36 -2.527 -9.425 -5.472 285 HD23 LEU 36 2HD2 LEU 36 -4.238 -9.293 -5.061 286 H THR 37 H THR 37 -2.668 -4.689 -7.956 287 HA THR 37 HA THR 37 -5.504 -3.979 -8.458 288 HB THR 37 HB THR 37 -5.621 -2.739 -6.406 289 HG1 THR 37 HG1 THR 37 -3.764 -1.871 -5.827 290 HG21 THR 37 3HG2 THR 37 -5.292 -4.479 -4.709 291 HG22 THR 37 1HG2 THR 37 -4.305 -5.405 -5.837 292 HG23 THR 37 2HG2 THR 37 -6.020 -5.152 -6.166 293 H SER 38 H SER 38 -5.930 -1.674 -8.722 294 HA SER 38 HA SER 38 -3.887 -0.296 -10.219 295 HB2 SER 38 2HB SER 38 -6.232 -0.091 -10.902 296 HB3 SER 38 3HB SER 38 -6.645 0.628 -9.346 297 HG SER 38 HG SER 38 -6.300 2.140 -11.117 298 H TYR 39 H TYR 39 -3.516 2.111 -9.727 299 HA TYR 39 HA TYR 39 -2.539 2.298 -6.985 300 HB2 TYR 39 2HB TYR 39 -2.130 4.123 -9.374 301 HB3 TYR 39 3HB TYR 39 -1.372 4.345 -7.799 302 HD1 TYR 39 HD1 TYR 39 -1.608 2.002 -10.678 303 HD2 TYR 39 HD2 TYR 39 0.621 3.184 -7.246 304 HE1 TYR 39 HE1 TYR 39 0.212 0.491 -11.345 305 HE2 TYR 39 HE2 TYR 39 2.446 1.674 -7.908 306 HH TYR 39 HH TYR 39 2.601 0.210 -10.984 307 H PHE 40 H PHE 40 -4.043 2.893 -5.553 308 HA PHE 40 HA PHE 40 -6.188 4.720 -6.275 309 HB2 PHE 40 2HB PHE 40 -5.674 3.404 -3.598 310 HB3 PHE 40 3HB PHE 40 -7.190 4.089 -4.178 311 HD1 PHE 40 HD1 PHE 40 -8.000 3.031 -6.504 312 HD2 PHE 40 HD2 PHE 40 -5.464 1.106 -3.672 313 HE1 PHE 40 HE1 PHE 40 -8.636 0.843 -7.427 314 HE2 PHE 40 HE2 PHE 40 -6.101 -1.085 -4.593 315 HZ PHE 40 HZ PHE 40 -7.685 -1.220 -6.472 316 H PHE 41 H PHE 41 -6.410 6.810 -5.607 317 HA PHE 41 HA PHE 41 -3.982 8.043 -4.543 318 HB2 PHE 41 2HB PHE 41 -6.411 9.263 -5.869 319 HB3 PHE 41 3HB PHE 41 -4.987 10.163 -5.359 320 HD1 PHE 41 HD2 PHE 41 -2.845 9.874 -6.527 321 HD2 PHE 41 HD1 PHE 41 -6.381 7.902 -7.859 322 HE1 PHE 41 HE2 PHE 41 -1.770 9.408 -8.692 323 HE2 PHE 41 HE1 PHE 41 -5.307 7.432 -10.020 324 HZ PHE 41 HZ PHE 41 -3.001 8.186 -10.440 325 H TRP 42 H TRP 42 -3.783 8.837 -2.583 326 HA TRP 42 HA TRP 42 -6.151 9.646 -1.036 327 HB2 TRP 42 2HB TRP 42 -5.796 7.625 0.010 328 HB3 TRP 42 3HB TRP 42 -4.080 7.609 -0.357 329 HD1 TRP 42 HD1 TRP 42 -2.452 8.427 1.488 330 HE1 TRP 42 HE1 TRP 42 -2.721 9.219 3.909 331 HE3 TRP 42 HE3 TRP 42 -7.537 9.021 1.582 332 HZ2 TRP 42 HZ2 TRP 42 -4.804 9.994 5.643 333 HZ3 TRP 42 HZ3 TRP 42 -8.587 9.793 3.677 334 HH2 TRP 42 HH2 TRP 42 -7.245 10.268 5.663 335 HA PRO 43 HA PRO 43 -6.827 10.827 0.328 336 HB2 PRO 43 2HB PRO 43 -7.513 13.249 1.164 337 HB3 PRO 43 3HB PRO 43 -6.432 12.243 2.145 338 HG2 PRO 43 2HG PRO 43 -5.753 14.493 0.273 339 HG3 PRO 43 3HG PRO 43 -5.140 14.187 1.913 340 HD2 PRO 43 2HD PRO 43 -3.814 13.472 -0.410 341 HD3 PRO 43 3HD PRO 43 -3.570 12.687 1.163 342 H ARG 44 H ARG 44 -7.499 10.458 -1.840 343 HA ARG 44 HA ARG 44 -8.844 12.808 -3.006 344 HB2 ARG 44 2HB ARG 44 -7.493 10.596 -4.590 345 HB3 ARG 44 3HB ARG 44 -8.476 11.878 -5.281 346 HG2 ARG 44 2HG ARG 44 -5.882 12.276 -3.790 347 HG3 ARG 44 3HG ARG 44 -6.075 12.303 -5.544 348 HD2 ARG 44 2HD ARG 44 -7.425 14.195 -3.605 349 HD3 ARG 44 3HD ARG 44 -5.988 14.568 -4.558 350 HE ARG 44 HE ARG 44 -7.556 14.039 -6.537 351 HH11 ARG 44 1HH1 ARG 44 -8.576 15.495 -3.584 352 HH12 ARG 44 2HH1 ARG 44 -9.814 16.427 -4.350 353 HH21 ARG 44 1HH2 ARG 44 -9.152 15.239 -7.498 354 HH22 ARG 44 2HH2 ARG 44 -10.149 16.269 -6.529 355 H ALA 45 H ALA 45 -8.657 9.284 -2.833 356 HA ALA 45 HA ALA 45 -11.557 9.195 -2.363 357 HB1 ALA 45 3HB ALA 45 -11.751 7.148 -3.700 358 HB2 ALA 45 1HB ALA 45 -10.049 7.280 -4.157 359 HB3 ALA 45 2HB ALA 45 -11.203 8.502 -4.690 360 H ASP 46 H ASP 46 -12.129 6.950 -1.377 361 HA ASP 46 HA ASP 46 -10.430 6.494 0.861 362 HB2 ASP 46 2HB ASP 46 -12.828 4.959 -0.171 363 HB3 ASP 46 3HB ASP 46 -11.998 4.581 1.338 364 H ALA 47 H ALA 47 -8.416 5.982 0.045 365 HA ALA 47 HA ALA 47 -7.815 4.164 -1.972 366 HB1 ALA 47 3HB ALA 47 -6.264 5.872 -1.110 367 HB2 ALA 47 1HB ALA 47 -5.525 4.272 -1.195 368 HB3 ALA 47 2HB ALA 47 -6.052 4.920 0.358 369 H TRP 48 H TRP 48 -7.490 3.580 1.556 370 HA TRP 48 HA TRP 48 -6.690 0.901 1.309 371 HB2 TRP 48 2HB TRP 48 -6.510 2.391 3.366 372 HB3 TRP 48 3HB TRP 48 -8.204 2.025 3.675 373 HD1 TRP 48 HD1 TRP 48 -4.800 0.207 3.381 374 HE1 TRP 48 HE1 TRP 48 -4.884 -1.898 4.854 375 HE3 TRP 48 HE3 TRP 48 -9.689 0.441 4.857 376 HZ2 TRP 48 HZ2 TRP 48 -6.776 -3.287 6.432 377 HZ3 TRP 48 HZ3 TRP 48 -10.557 -1.311 6.352 378 HH2 TRP 48 HH2 TRP 48 -9.130 -3.136 7.123 379 H GLN 49 H GLN 49 -9.910 2.330 1.577 380 HA GLN 49 HA GLN 49 -11.411 -0.033 1.799 381 HB2 GLN 49 2HB GLN 49 -12.411 2.152 2.167 382 HB3 GLN 49 3HB GLN 49 -12.133 2.598 0.489 383 HG2 GLN 49 2HG GLN 49 -14.455 2.034 0.809 384 HG3 GLN 49 3HG GLN 49 -13.691 0.828 -0.223 385 HE21 GLN 49 1HE2 GLN 49 -13.335 0.962 3.275 386 HE22 GLN 49 2HE2 GLN 49 -14.193 -0.499 3.593 387 H GLN 50 H GLN 50 -10.264 1.689 -1.103 388 HA GLN 50 HA GLN 50 -11.494 -0.092 -2.961 389 HB2 GLN 50 2HB GLN 50 -9.126 1.761 -3.321 390 HB3 GLN 50 3HB GLN 50 -9.970 0.940 -4.628 391 HG2 GLN 50 2HG GLN 50 -12.035 2.155 -4.010 392 HG3 GLN 50 3HG GLN 50 -11.123 3.023 -2.775 393 HE21 GLN 50 1HE2 GLN 50 -9.600 4.578 -3.430 394 HE22 GLN 50 2HE2 GLN 50 -9.594 5.231 -5.030 395 H LEU 51 H LEU 51 -8.323 0.016 -1.414 396 HA LEU 51 HA LEU 51 -7.083 -2.028 -2.907 397 HB2 LEU 51 2HB LEU 51 -5.873 -0.429 -1.468 398 HB3 LEU 51 3HB LEU 51 -6.560 -1.195 -0.048 399 HG LEU 51 HG LEU 51 -5.363 -3.281 -0.589 400 HD11 LEU 51 1HD1 LEU 51 -5.277 -3.081 -3.007 401 HD12 LEU 51 2HD1 LEU 51 -3.654 -3.290 -2.351 402 HD13 LEU 51 3HD1 LEU 51 -4.194 -1.696 -2.875 403 HD21 LEU 51 3HD2 LEU 51 -3.103 -2.496 -0.077 404 HD22 LEU 51 1HD2 LEU 51 -4.307 -1.637 0.886 405 HD23 LEU 51 2HD2 LEU 51 -3.569 -0.851 -0.510 406 H LYS 52 H LYS 52 -8.641 -2.192 0.318 407 HA LYS 52 HA LYS 52 -8.464 -4.983 0.614 408 HB2 LYS 52 2HB LYS 52 -10.148 -4.770 2.359 409 HB3 LYS 52 3HB LYS 52 -9.000 -3.446 2.477 410 HG2 LYS 52 2HG LYS 52 -10.632 -1.993 1.294 411 HG3 LYS 52 3HG LYS 52 -11.792 -3.318 1.349 412 HD2 LYS 52 2HD LYS 52 -10.512 -2.032 3.766 413 HD3 LYS 52 3HD LYS 52 -12.124 -1.655 3.161 414 HE2 LYS 52 2HE LYS 52 -11.222 -4.384 4.101 415 HE3 LYS 52 3HE LYS 52 -12.139 -3.232 5.071 416 HZ1 LYS 52 3HZ LYS 52 -13.577 -4.881 4.063 417 HZ2 LYS 52 1HZ LYS 52 -13.050 -4.450 2.518 418 HZ3 LYS 52 2HZ LYS 52 -13.930 -3.348 3.456 419 H ASP 53 H ASP 53 -10.918 -2.958 -0.923 420 HA ASP 53 HA ASP 53 -12.932 -4.814 -1.369 421 HB2 ASP 53 2HB ASP 53 -13.112 -2.390 -1.818 422 HB3 ASP 53 3HB ASP 53 -12.042 -2.574 -3.203 423 H GLU 54 H GLU 54 -10.162 -4.042 -3.484 424 HA GLU 54 HA GLU 54 -10.650 -5.992 -5.452 425 HB2 GLU 54 2HB GLU 54 -8.149 -4.581 -4.541 426 HB3 GLU 54 3HB GLU 54 -8.094 -5.794 -5.811 427 HG2 GLU 54 2HG GLU 54 -9.801 -3.311 -5.901 428 HG3 GLU 54 3HG GLU 54 -8.206 -3.462 -6.637 429 H LEU 55 H LEU 55 -8.515 -6.138 -2.593 430 HA LEU 55 HA LEU 55 -7.505 -8.721 -3.066 431 HB2 LEU 55 2HB LEU 55 -7.821 -7.221 -0.463 432 HB3 LEU 55 3HB LEU 55 -6.858 -8.674 -0.664 433 HG LEU 55 HG LEU 55 -6.345 -6.056 -2.093 434 HD11 LEU 55 1HD1 LEU 55 -5.923 -5.858 0.300 435 HD12 LEU 55 2HD1 LEU 55 -4.416 -5.834 -0.615 436 HD13 LEU 55 3HD1 LEU 55 -4.899 -7.295 0.250 437 HD21 LEU 55 3HD2 LEU 55 -5.587 -7.961 -3.389 438 HD22 LEU 55 1HD2 LEU 55 -4.745 -8.617 -1.984 439 HD23 LEU 55 2HD2 LEU 55 -4.202 -7.106 -2.713 440 H GLU 56 H GLU 56 -10.386 -7.674 -1.315 441 HA GLU 56 HA GLU 56 -11.062 -10.300 -0.361 442 HB2 GLU 56 2HB GLU 56 -12.731 -7.780 -0.563 443 HB3 GLU 56 3HB GLU 56 -13.218 -9.248 0.279 444 HG2 GLU 56 2HG GLU 56 -11.413 -8.999 1.861 445 HG3 GLU 56 3HG GLU 56 -10.780 -7.613 0.974 446 H ALA 57 H ALA 57 -12.064 -8.283 -3.107 447 HA ALA 57 HA ALA 57 -14.109 -9.911 -4.128 448 HB1 ALA 57 3HB ALA 57 -13.729 -8.776 -6.258 449 HB2 ALA 57 1HB ALA 57 -12.181 -8.166 -5.670 450 HB3 ALA 57 2HB ALA 57 -13.684 -7.630 -4.919 451 H LYS 58 H LYS 58 -10.628 -9.904 -4.814 452 HA LYS 58 HA LYS 58 -10.742 -12.245 -6.485 453 HB2 LYS 58 2HB LYS 58 -8.301 -11.073 -5.128 454 HB3 LYS 58 3HB LYS 58 -8.347 -12.066 -6.579 455 HG2 LYS 58 2HG LYS 58 -9.296 -10.294 -7.862 456 HG3 LYS 58 3HG LYS 58 -9.576 -9.322 -6.415 457 HD2 LYS 58 2HD LYS 58 -7.039 -9.395 -6.086 458 HD3 LYS 58 3HD LYS 58 -6.952 -9.995 -7.742 459 HE2 LYS 58 2HE LYS 58 -8.165 -7.375 -6.846 460 HE3 LYS 58 3HE LYS 58 -6.617 -7.576 -7.660 461 HZ1 LYS 58 3HZ LYS 58 -8.527 -6.872 -9.090 462 HZ2 LYS 58 1HZ LYS 58 -9.186 -8.414 -8.878 463 HZ3 LYS 58 2HZ LYS 58 -7.687 -8.233 -9.635 464 H HIS 59 H HIS 59 -11.820 -13.775 -5.146 465 HA HIS 59 HA HIS 59 -11.076 -14.205 -2.437 466 HB2 HIS 59 2HB HIS 59 -12.872 -15.745 -4.304 467 HB3 HIS 59 3HB HIS 59 -12.635 -16.193 -2.617 468 HD1 HIS 59 HD1 HIS 59 -14.233 -13.578 -4.777 469 HD2 HIS 59 HD2 HIS 59 -13.878 -14.520 -0.744 470 HE1 HIS 59 HE1 HIS 59 -15.911 -12.131 -3.597 471 HE2 HIS 59 HE2 HIS 59 -15.775 -12.822 -1.184 472 H TRP 60 H TRP 60 -9.554 -15.300 -5.246 473 HA TRP 60 HA TRP 60 -8.530 -17.749 -4.160 474 HB2 TRP 60 2HB TRP 60 -6.939 -17.705 -6.046 475 HB3 TRP 60 3HB TRP 60 -8.598 -17.460 -6.570 476 HD1 TRP 60 HD1 TRP 60 -9.253 -14.845 -7.251 477 HE1 TRP 60 HE1 TRP 60 -7.784 -13.044 -8.359 478 HE3 TRP 60 HE3 TRP 60 -4.642 -16.823 -6.243 479 HZ2 TRP 60 HZ2 TRP 60 -5.037 -12.533 -8.758 480 HZ3 TRP 60 HZ3 TRP 60 -2.645 -15.618 -7.029 481 HH2 TRP 60 HH2 TRP 60 -2.838 -13.518 -8.261 482 H ILE 61 H ILE 61 -7.938 -14.527 -3.438 483 HA ILE 61 HA ILE 61 -5.232 -14.819 -2.465 484 HB ILE 61 HB ILE 61 -7.351 -12.686 -2.137 485 HG12 ILE 61 2HG1 ILE 61 -5.732 -11.248 -3.270 486 HG13 ILE 61 3HG1 ILE 61 -4.534 -12.534 -3.258 487 HG21 ILE 61 1HG2 ILE 61 -6.264 -12.840 0.028 488 HG22 ILE 61 2HG2 ILE 61 -5.772 -11.362 -0.796 489 HG23 ILE 61 3HG2 ILE 61 -4.675 -12.743 -0.733 490 HD11 ILE 61 3HD1 ILE 61 -5.579 -12.215 -5.445 491 HD12 ILE 61 1HD1 ILE 61 -7.144 -12.614 -4.743 492 HD13 ILE 61 2HD1 ILE 61 -5.867 -13.829 -4.796 493 H ALA 62 H ALA 62 -4.661 -15.758 -0.580 494 HA ALA 62 HA ALA 62 -6.617 -16.791 1.235 495 HB1 ALA 62 3HB ALA 62 -4.521 -17.966 0.816 496 HB2 ALA 62 1HB ALA 62 -4.711 -17.596 2.531 497 HB3 ALA 62 2HB ALA 62 -3.617 -16.632 1.536 498 H GLU 63 H GLU 63 -6.650 -16.335 3.582 499 HA GLU 63 HA GLU 63 -7.297 -13.649 4.020 500 HB2 GLU 63 2HB GLU 63 -8.219 -15.579 5.296 501 HB3 GLU 63 3HB GLU 63 -6.677 -15.725 6.130 502 HG2 GLU 63 2HG GLU 63 -6.976 -13.431 7.009 503 HG3 GLU 63 3HG GLU 63 -8.562 -13.374 6.240 504 H ALA 64 H ALA 64 -4.552 -15.461 5.464 505 HA ALA 64 HA ALA 64 -3.414 -13.345 6.839 506 HB1 ALA 64 3HB ALA 64 -1.370 -14.635 6.927 507 HB2 ALA 64 1HB ALA 64 -1.919 -15.646 5.592 508 HB3 ALA 64 2HB ALA 64 -2.762 -15.697 7.140 509 H ASP 65 H ASP 65 -2.937 -14.241 3.436 510 HA ASP 65 HA ASP 65 -0.821 -12.476 2.870 511 HB2 ASP 65 2HB ASP 65 -2.982 -13.628 1.100 512 HB3 ASP 65 3HB ASP 65 -1.663 -12.636 0.480 513 H ARG 66 H ARG 66 -4.359 -11.965 2.398 514 HA ARG 66 HA ARG 66 -4.008 -9.264 1.552 515 HB2 ARG 66 2HB ARG 66 -6.430 -9.004 1.819 516 HB3 ARG 66 3HB ARG 66 -6.027 -10.468 0.937 517 HG2 ARG 66 2HG ARG 66 -6.516 -11.832 2.852 518 HG3 ARG 66 3HG ARG 66 -6.733 -10.406 3.868 519 HD2 ARG 66 2HD ARG 66 -8.880 -11.386 3.177 520 HD3 ARG 66 3HD ARG 66 -8.681 -9.741 2.578 521 HE ARG 66 HE ARG 66 -8.176 -10.714 0.390 522 HH11 ARG 66 1HH1 ARG 66 -9.733 -12.740 2.699 523 HH12 ARG 66 2HH1 ARG 66 -10.380 -13.792 1.487 524 HH21 ARG 66 1HH2 ARG 66 -9.055 -12.049 -1.147 525 HH22 ARG 66 2HH2 ARG 66 -10.005 -13.406 -0.647 526 H ILE 67 H ILE 67 -4.637 -10.720 4.718 527 HA ILE 67 HA ILE 67 -5.104 -8.353 6.159 528 HB ILE 67 HB ILE 67 -3.847 -10.944 7.096 529 HG12 ILE 67 2HG1 ILE 67 -6.143 -11.195 6.254 530 HG13 ILE 67 3HG1 ILE 67 -6.087 -11.439 7.995 531 HG21 ILE 67 1HG2 ILE 67 -4.918 -8.651 8.747 532 HG22 ILE 67 2HG2 ILE 67 -3.235 -9.165 8.630 533 HG23 ILE 67 3HG2 ILE 67 -4.428 -10.224 9.379 534 HD11 ILE 67 3HD1 ILE 67 -7.004 -8.937 6.589 535 HD12 ILE 67 1HD1 ILE 67 -6.953 -9.177 8.337 536 HD13 ILE 67 2HD1 ILE 67 -8.037 -10.151 7.345 537 H ASN 68 H ASN 68 -2.044 -10.101 5.560 538 HA ASN 68 HA ASN 68 -0.366 -8.401 7.014 539 HB2 ASN 68 2HB ASN 68 0.401 -10.576 6.258 540 HB3 ASN 68 3HB ASN 68 0.262 -10.080 4.574 541 HD21 ASN 68 1HD2 ASN 68 1.870 -8.855 3.669 542 HD22 ASN 68 2HD2 ASN 68 3.346 -8.477 4.475 543 H VAL 69 H VAL 69 -1.035 -8.327 3.483 544 HA VAL 69 HA VAL 69 0.520 -6.014 3.019 545 HB VAL 69 HB VAL 69 -0.621 -5.828 0.846 546 HG11 VAL 69 1HG1 VAL 69 1.249 -7.380 1.076 547 HG12 VAL 69 2HG1 VAL 69 0.058 -8.000 -0.067 548 HG13 VAL 69 3HG1 VAL 69 0.140 -8.663 1.566 549 HG21 VAL 69 3HG2 VAL 69 -2.340 -7.460 0.203 550 HG22 VAL 69 1HG2 VAL 69 -2.885 -6.428 1.525 551 HG23 VAL 69 2HG2 VAL 69 -2.365 -8.080 1.852 552 H LEU 70 H LEU 70 -2.917 -6.375 3.860 553 HA LEU 70 HA LEU 70 -3.586 -3.630 3.545 554 HB2 LEU 70 2HB LEU 70 -4.834 -5.839 5.173 555 HB3 LEU 70 3HB LEU 70 -5.485 -4.209 5.154 556 HG LEU 70 HG LEU 70 -5.210 -6.021 2.743 557 HD11 LEU 70 1HD1 LEU 70 -6.946 -6.780 4.275 558 HD12 LEU 70 2HD1 LEU 70 -7.656 -6.112 2.806 559 HD13 LEU 70 3HD1 LEU 70 -7.656 -5.166 4.295 560 HD21 LEU 70 3HD2 LEU 70 -6.485 -3.288 2.983 561 HD22 LEU 70 1HD2 LEU 70 -6.473 -4.313 1.547 562 HD23 LEU 70 2HD2 LEU 70 -4.963 -3.647 2.165 563 H ASN 71 H ASN 71 -2.351 -5.488 6.306 564 HA ASN 71 HA ASN 71 -2.546 -3.443 8.239 565 HB2 ASN 71 2HB ASN 71 -0.681 -5.812 8.033 566 HB3 ASN 71 3HB ASN 71 -0.695 -4.725 9.417 567 HD21 ASN 71 1HD2 ASN 71 -1.278 -7.544 9.328 568 HD22 ASN 71 2HD2 ASN 71 -2.887 -7.724 9.922 569 H GLN 72 H GLN 72 0.284 -4.442 6.270 570 HA GLN 72 HA GLN 72 1.941 -2.335 7.184 571 HB2 GLN 72 2HB GLN 72 3.419 -2.912 5.293 572 HB3 GLN 72 3HB GLN 72 2.913 -4.328 6.203 573 HG2 GLN 72 2HG GLN 72 1.232 -4.813 4.474 574 HG3 GLN 72 3HG GLN 72 1.799 -3.425 3.552 575 HE21 GLN 72 1HE2 GLN 72 3.920 -5.576 5.331 576 HE22 GLN 72 2HE2 GLN 72 4.678 -6.265 3.945 577 H ALA 73 H ALA 73 -0.301 -2.559 4.456 578 HA ALA 73 HA ALA 73 0.296 -0.122 3.195 579 HB1 ALA 73 3HB ALA 73 -2.383 -1.501 3.454 580 HB2 ALA 73 1HB ALA 73 -1.188 -1.776 2.188 581 HB3 ALA 73 2HB ALA 73 -1.998 -0.215 2.307 582 H THR 74 H THR 74 -2.019 -0.842 5.812 583 HA THR 74 HA THR 74 -2.941 1.770 6.267 584 HB THR 74 HB THR 74 -2.585 -0.425 8.332 585 HG1 THR 74 HG1 THR 74 -4.026 -1.278 6.970 586 HG21 THR 74 3HG2 THR 74 -4.363 0.749 9.571 587 HG22 THR 74 1HG2 THR 74 -4.347 2.036 8.366 588 HG23 THR 74 2HG2 THR 74 -2.931 1.759 9.380 589 H GLU 75 H GLU 75 -0.166 0.032 7.642 590 HA GLU 75 HA GLU 75 0.750 2.003 9.398 591 HB2 GLU 75 2HB GLU 75 2.316 -0.048 7.819 592 HB3 GLU 75 3HB GLU 75 2.990 0.921 9.121 593 HG2 GLU 75 2HG GLU 75 1.341 -0.061 10.671 594 HG3 GLU 75 3HG GLU 75 0.754 -1.082 9.361 595 H VAL 76 H VAL 76 1.425 1.581 5.926 596 HA VAL 76 HA VAL 76 3.243 3.739 5.682 597 HB VAL 76 HB VAL 76 1.419 2.550 3.572 598 HG11 VAL 76 1HG1 VAL 76 3.843 4.334 3.250 599 HG12 VAL 76 2HG1 VAL 76 2.172 4.780 2.913 600 HG13 VAL 76 3HG1 VAL 76 2.968 3.549 1.935 601 HG21 VAL 76 3HG2 VAL 76 4.326 1.989 4.206 602 HG22 VAL 76 1HG2 VAL 76 3.407 1.291 2.871 603 HG23 VAL 76 2HG2 VAL 76 2.968 0.913 4.537 604 H ILE 77 H ILE 77 -0.293 3.576 5.298 605 HA ILE 77 HA ILE 77 -0.712 6.256 4.524 606 HB ILE 77 HB ILE 77 -2.557 4.418 6.075 607 HG12 ILE 77 2HG1 ILE 77 -2.404 5.047 3.106 608 HG13 ILE 77 3HG1 ILE 77 -1.888 3.541 3.858 609 HG21 ILE 77 1HG2 ILE 77 -4.376 5.898 5.313 610 HG22 ILE 77 2HG2 ILE 77 -3.182 6.993 4.612 611 HG23 ILE 77 3HG2 ILE 77 -3.233 6.742 6.358 612 HD11 ILE 77 3HD1 ILE 77 -4.048 3.285 2.802 613 HD12 ILE 77 1HD1 ILE 77 -4.702 4.607 3.770 614 HD13 ILE 77 2HD1 ILE 77 -4.194 3.109 4.550 615 H ASN 78 H ASN 78 -0.822 4.775 7.777 616 HA ASN 78 HA ASN 78 -1.248 7.136 9.245 617 HB2 ASN 78 2HB ASN 78 0.199 4.600 10.063 618 HB3 ASN 78 3HB ASN 78 -0.302 5.869 11.176 619 HD21 ASN 78 1HD2 ASN 78 -1.082 3.089 11.131 620 HD22 ASN 78 2HD2 ASN 78 -2.802 3.067 10.962 621 H PHE 79 H PHE 79 1.740 5.578 8.179 622 HA PHE 79 HA PHE 79 3.618 7.263 9.390 623 HB2 PHE 79 2HB PHE 79 4.247 5.166 8.327 624 HB3 PHE 79 3HB PHE 79 3.720 5.762 6.760 625 HD1 PHE 79 HD2 PHE 79 6.092 6.719 9.495 626 HD2 PHE 79 HD1 PHE 79 5.355 6.478 5.304 627 HE1 PHE 79 HE2 PHE 79 8.377 7.507 9.049 628 HE2 PHE 79 HE1 PHE 79 7.643 7.264 4.858 629 HZ PHE 79 HZ PHE 79 9.157 7.778 6.730 630 H TRP 80 H TRP 80 2.319 7.434 6.071 631 HA TRP 80 HA TRP 80 3.435 9.840 5.264 632 HB2 TRP 80 2HB TRP 80 2.279 8.356 3.720 633 HB3 TRP 80 3HB TRP 80 0.750 8.627 4.548 634 HD1 TRP 80 HD1 TRP 80 3.161 10.292 2.088 635 HE1 TRP 80 HE1 TRP 80 1.956 12.261 0.955 636 HE3 TRP 80 HE3 TRP 80 -1.114 10.349 4.899 637 HZ2 TRP 80 HZ2 TRP 80 -0.486 13.650 1.222 638 HZ3 TRP 80 HZ3 TRP 80 -2.833 12.034 4.394 639 HH2 TRP 80 HH2 TRP 80 -2.522 13.650 2.591 640 H GLN 81 H GLN 81 0.305 9.299 6.868 641 HA GLN 81 HA GLN 81 -0.549 11.967 6.967 642 HB2 GLN 81 2HB GLN 81 -1.971 9.952 7.417 643 HB3 GLN 81 3HB GLN 81 -1.181 9.786 8.977 644 HG2 GLN 81 2HG GLN 81 -3.284 10.860 9.308 645 HG3 GLN 81 3HG GLN 81 -2.011 12.048 9.581 646 HE21 GLN 81 1HE2 GLN 81 -4.622 11.074 7.536 647 HE22 GLN 81 2HE2 GLN 81 -4.700 12.521 6.599 648 H ASP 82 H ASP 82 1.335 10.069 9.301 649 HA ASP 82 HA ASP 82 1.506 11.982 11.347 650 HB2 ASP 82 2HB ASP 82 2.119 9.605 11.623 651 HB3 ASP 82 3HB ASP 82 3.522 9.848 10.588 652 H LEU 83 H LEU 83 3.609 11.400 8.541 653 HA LEU 83 HA LEU 83 5.555 13.360 9.089 654 HB2 LEU 83 2HB LEU 83 4.573 12.445 6.379 655 HB3 LEU 83 3HB LEU 83 6.095 13.258 6.707 656 HG LEU 83 HG LEU 83 5.315 10.483 7.621 657 HD11 LEU 83 1HD1 LEU 83 7.352 11.420 5.600 658 HD12 LEU 83 2HD1 LEU 83 5.833 10.592 5.253 659 HD13 LEU 83 3HD1 LEU 83 7.112 9.753 6.128 660 HD21 LEU 83 3HD2 LEU 83 7.880 12.015 8.088 661 HD22 LEU 83 1HD2 LEU 83 7.606 10.318 8.483 662 HD23 LEU 83 2HD2 LEU 83 6.690 11.573 9.314 663 H LYS 84 H LYS 84 2.515 13.539 7.270 664 HA LYS 84 HA LYS 84 2.731 16.239 6.471 665 HB2 LYS 84 2HB LYS 84 1.129 14.551 5.524 666 HB3 LYS 84 3HB LYS 84 0.181 14.687 6.997 667 HG2 LYS 84 2HG LYS 84 -0.839 16.023 5.289 668 HG3 LYS 84 3HG LYS 84 -0.156 17.098 6.510 669 HD2 LYS 84 2HD LYS 84 0.370 18.025 4.367 670 HD3 LYS 84 3HD LYS 84 1.860 17.351 5.028 671 HE2 LYS 84 2HE LYS 84 1.737 16.745 2.710 672 HE3 LYS 84 3HE LYS 84 1.450 15.292 3.667 673 HZ1 LYS 84 3HZ LYS 84 -0.921 15.551 3.291 674 HZ2 LYS 84 1HZ LYS 84 -0.100 15.474 1.813 675 HZ3 LYS 84 2HZ LYS 84 -0.656 16.957 2.398 676 H ASN 85 H ASN 85 1.419 14.741 9.402 677 HA ASN 85 HA ASN 85 0.315 17.043 10.604 678 HB2 ASN 85 2HB ASN 85 1.569 14.627 11.944 679 HB3 ASN 85 3HB ASN 85 0.536 15.810 12.738 680 HD21 ASN 85 1HD2 ASN 85 0.204 12.937 12.395 681 HD22 ASN 85 2HD2 ASN 85 -1.306 12.720 11.583 682 H GLN 86 H GLN 86 3.566 15.628 10.847 683 HA GLN 86 HA GLN 86 4.489 17.831 12.526 684 HB2 GLN 86 2HB GLN 86 5.882 15.336 11.540 685 HB3 GLN 86 3HB GLN 86 6.604 16.513 12.627 686 HG2 GLN 86 2HG GLN 86 4.862 16.039 14.290 687 HG3 GLN 86 3HG GLN 86 4.153 14.852 13.199 688 HE21 GLN 86 1HE2 GLN 86 5.230 12.903 12.846 689 HE22 GLN 86 2HE2 GLN 86 6.483 12.352 13.894 690 H ASN 87 H ASN 87 4.118 17.491 9.287 691 HA ASN 87 HA ASN 87 4.932 18.534 7.443 692 HB2 ASN 87 2HB ASN 87 6.062 20.394 9.549 693 HB3 ASN 87 3HB ASN 87 6.101 20.733 7.818 694 HD21 ASN 87 1HD2 ASN 87 4.195 21.248 6.758 695 HD22 ASN 87 2HD2 ASN 87 2.747 21.657 7.605 696 H LYS 88 H LYS 88 6.524 16.366 8.601 697 HA LYS 88 HA LYS 88 9.299 16.976 8.405 698 HB2 LYS 88 2HB LYS 88 7.811 14.349 8.277 699 HB3 LYS 88 3HB LYS 88 9.564 14.461 8.216 700 HG2 LYS 88 2HG LYS 88 9.505 15.605 10.434 701 HG3 LYS 88 3HG LYS 88 7.768 15.289 10.494 702 HD2 LYS 88 2HD LYS 88 8.158 12.899 10.414 703 HD3 LYS 88 3HD LYS 88 9.892 13.155 10.203 704 HE2 LYS 88 2HE LYS 88 9.968 14.237 12.430 705 HE3 LYS 88 3HE LYS 88 8.253 13.881 12.636 706 HZ1 LYS 88 3HZ LYS 88 9.573 12.226 13.743 707 HZ2 LYS 88 1HZ LYS 88 10.439 11.890 12.329 708 HZ3 LYS 88 2HZ LYS 88 8.795 11.512 12.426 709 H GLN 89 H GLN 89 10.291 17.592 6.610 710 HA GLN 89 HA GLN 89 9.238 17.015 3.973 711 HB2 GLN 89 2HB GLN 89 11.102 18.459 3.202 712 HB3 GLN 89 3HB GLN 89 10.139 19.227 4.456 713 HG2 GLN 89 2HG GLN 89 11.813 18.819 6.106 714 HG3 GLN 89 3HG GLN 89 12.722 17.785 5.007 715 HE21 GLN 89 1HE2 GLN 89 13.969 18.715 3.405 716 HE22 GLN 89 2HE2 GLN 89 14.359 20.398 3.392 717 H ILE 90 H ILE 90 10.233 14.656 5.423 718 HA ILE 90 HA ILE 90 12.908 14.050 4.793 719 HB ILE 90 HB ILE 90 12.469 11.773 5.410 720 HG12 ILE 90 2HG1 ILE 90 9.507 12.418 5.418 721 HG13 ILE 90 3HG1 ILE 90 10.318 11.553 4.117 722 HG21 ILE 90 1HG2 ILE 90 12.602 13.381 7.228 723 HG22 ILE 90 2HG2 ILE 90 11.462 12.101 7.632 724 HG23 ILE 90 3HG2 ILE 90 10.866 13.681 7.123 725 HD11 ILE 90 3HD1 ILE 90 9.217 10.006 5.598 726 HD12 ILE 90 1HD1 ILE 90 10.097 10.658 6.980 727 HD13 ILE 90 2HD1 ILE 90 10.967 9.803 5.703 728 H SER 91 H SER 91 13.623 12.191 3.439 729 HA SER 91 HA SER 91 12.488 12.480 0.741 730 HB2 SER 91 2HB SER 91 14.653 11.697 -0.071 731 HB3 SER 91 3HB SER 91 14.894 13.014 1.076 732 HG SER 91 HG SER 91 15.496 11.531 2.634 733 H MET 92 H MET 92 12.444 10.584 -0.682 734 HA MET 92 HA MET 92 10.917 8.494 0.294 735 HB2 MET 92 2HB MET 92 11.377 7.331 -1.834 736 HB3 MET 92 3HB MET 92 10.983 9.026 -2.076 737 HG2 MET 92 2HG MET 92 13.287 9.571 -2.471 738 HG3 MET 92 3HG MET 92 13.794 7.943 -2.026 739 HE1 MET 92 3HE MET 92 12.348 5.802 -4.964 740 HE2 MET 92 1HE MET 92 11.534 6.167 -3.441 741 HE3 MET 92 2HE MET 92 13.257 5.784 -3.451 742 H ALA 93 H ALA 93 14.430 8.674 0.033 743 HA ALA 93 HA ALA 93 15.052 5.966 0.447 744 HB1 ALA 93 3HB ALA 93 16.657 8.394 1.251 745 HB2 ALA 93 1HB ALA 93 16.688 7.611 -0.327 746 HB3 ALA 93 2HB ALA 93 17.273 6.748 1.096 747 H GLU 94 H GLU 94 14.221 8.515 2.712 748 HA GLU 94 HA GLU 94 14.922 7.048 5.071 749 HB2 GLU 94 2HB GLU 94 13.101 9.437 4.708 750 HB3 GLU 94 3HB GLU 94 13.680 8.829 6.257 751 HG2 GLU 94 2HG GLU 94 15.973 9.319 5.619 752 HG3 GLU 94 3HG GLU 94 15.432 9.850 4.030 753 H ALA 95 H ALA 95 11.961 7.458 3.168 754 HA ALA 95 HA ALA 95 10.180 6.042 4.808 755 HB1 ALA 95 3HB ALA 95 8.878 5.630 2.789 756 HB2 ALA 95 1HB ALA 95 10.263 6.062 1.785 757 HB3 ALA 95 2HB ALA 95 9.492 7.284 2.797 758 H GLN 96 H GLN 96 12.585 4.902 2.481 759 HA GLN 96 HA GLN 96 12.039 2.131 2.687 760 HB2 GLN 96 2HB GLN 96 14.507 3.681 1.912 761 HB3 GLN 96 3HB GLN 96 14.479 1.923 1.917 762 HG2 GLN 96 2HG GLN 96 12.563 3.623 0.328 763 HG3 GLN 96 3HG GLN 96 14.080 2.991 -0.309 764 HE21 GLN 96 1HE2 GLN 96 10.895 2.170 0.813 765 HE22 GLN 96 2HE2 GLN 96 10.855 0.572 0.167 766 H GLY 97 H GLY 97 13.548 4.311 4.890 767 HA2 GLY 97 2HA GLY 97 14.940 2.287 6.417 768 HA3 GLY 97 3HA GLY 97 14.674 3.957 6.891 769 H LYS 98 H LYS 98 11.723 3.554 6.313 770 HA LYS 98 HA LYS 98 11.024 2.434 8.920 771 HB2 LYS 98 2HB LYS 98 10.120 4.635 8.346 772 HB3 LYS 98 3HB LYS 98 9.366 3.970 6.903 773 HG2 LYS 98 2HG LYS 98 7.755 4.314 8.712 774 HG3 LYS 98 3HG LYS 98 7.883 2.613 8.263 775 HD2 LYS 98 2HD LYS 98 9.402 2.251 10.185 776 HD3 LYS 98 3HD LYS 98 9.179 3.940 10.648 777 HE2 LYS 98 2HE LYS 98 6.801 3.556 10.997 778 HE3 LYS 98 3HE LYS 98 6.969 1.888 10.446 779 HZ1 LYS 98 3HZ LYS 98 6.923 1.983 12.842 780 HZ2 LYS 98 1HZ LYS 98 8.224 3.066 12.871 781 HZ3 LYS 98 2HZ LYS 98 8.454 1.479 12.328 782 H PHE 99 H PHE 99 10.149 2.017 5.490 783 HA PHE 99 HA PHE 99 9.256 -0.725 6.132 784 HB2 PHE 99 2HB PHE 99 7.999 1.104 4.067 785 HB3 PHE 99 3HB PHE 99 7.515 -0.550 4.419 786 HD1 PHE 99 HD2 PHE 99 6.796 -1.017 6.889 787 HD2 PHE 99 HD1 PHE 99 6.895 2.852 5.108 788 HE1 PHE 99 HE2 PHE 99 5.218 -0.196 8.587 789 HE2 PHE 99 HE1 PHE 99 5.314 3.673 6.803 790 HZ PHE 99 HZ PHE 99 4.474 2.152 8.545 791 HA PRO 100 HA PRO 100 12.727 -0.753 3.004 792 HB2 PRO 100 2HB PRO 100 13.866 -3.068 3.930 793 HB3 PRO 100 3HB PRO 100 14.242 -1.466 4.573 794 HG2 PRO 100 2HG PRO 100 12.362 -3.541 5.641 795 HG3 PRO 100 3HG PRO 100 13.536 -2.539 6.516 796 HD2 PRO 100 2HD PRO 100 10.906 -1.941 6.487 797 HD3 PRO 100 3HD PRO 100 12.151 -0.671 6.491 798 H GLU 101 H GLU 101 10.422 -3.236 3.964 799 HA GLU 101 HA GLU 101 10.912 -4.917 1.679 800 HB2 GLU 101 2HB GLU 101 8.620 -4.919 3.655 801 HB3 GLU 101 3HB GLU 101 8.917 -6.164 2.448 802 HG2 GLU 101 2HG GLU 101 11.106 -6.620 3.531 803 HG3 GLU 101 3HG GLU 101 10.688 -5.453 4.784 804 H VAL 102 H VAL 102 8.925 -2.150 2.297 805 HA VAL 102 HA VAL 102 7.018 -2.723 0.178 806 HB VAL 102 HB VAL 102 7.359 -0.245 1.886 807 HG11 VAL 102 1HG1 VAL 102 5.117 -1.021 0.016 808 HG12 VAL 102 2HG1 VAL 102 6.266 0.298 -0.217 809 HG13 VAL 102 3HG1 VAL 102 5.107 0.364 1.110 810 HG21 VAL 102 3HG2 VAL 102 5.369 -2.510 2.111 811 HG22 VAL 102 1HG2 VAL 102 5.416 -1.067 3.124 812 HG23 VAL 102 2HG2 VAL 102 6.740 -2.232 3.184 813 H VAL 103 H VAL 103 7.082 -1.949 -1.868 814 HA VAL 103 HA VAL 103 9.516 -0.591 -2.720 815 HB VAL 103 HB VAL 103 7.225 -1.636 -4.402 816 HG11 VAL 103 1HG1 VAL 103 10.021 -0.794 -5.187 817 HG12 VAL 103 2HG1 VAL 103 8.526 0.061 -5.570 818 HG13 VAL 103 3HG1 VAL 103 8.834 -1.532 -6.261 819 HG21 VAL 103 3HG2 VAL 103 8.653 -3.573 -4.850 820 HG22 VAL 103 1HG2 VAL 103 8.295 -3.432 -3.128 821 HG23 VAL 103 2HG2 VAL 103 9.872 -2.939 -3.745 822 H PHE 104 H PHE 104 9.441 1.574 -2.339 823 HA PHE 104 HA PHE 104 7.077 3.127 -3.048 824 HB2 PHE 104 2HB PHE 104 9.758 3.945 -1.893 825 HB3 PHE 104 3HB PHE 104 8.459 5.077 -2.256 826 HD1 PHE 104 HD1 PHE 104 9.385 2.174 -0.150 827 HD2 PHE 104 HD2 PHE 104 6.665 5.401 -0.742 828 HE1 PHE 104 HE1 PHE 104 8.431 1.778 2.080 829 HE2 PHE 104 HE2 PHE 104 5.708 5.004 1.490 830 HZ PHE 104 HZ PHE 104 6.590 3.193 2.904 831 H SER 105 H SER 105 6.797 4.143 -4.961 832 HA SER 105 HA SER 105 8.569 3.734 -7.131 833 HB2 SER 105 2HB SER 105 6.266 5.690 -6.866 834 HB3 SER 105 3HB SER 105 7.084 5.300 -8.379 835 HG SER 105 HG SER 105 6.479 3.024 -7.787 836 H GLY 106 H GLY 106 10.227 4.903 -7.923 837 HA2 GLY 106 2HA GLY 106 10.780 7.531 -6.673 838 HA3 GLY 106 3HA GLY 106 12.033 6.324 -6.906 839 H SER 107 H SER 107 13.316 7.673 -8.183 840 HA SER 107 HA SER 107 12.152 8.947 -10.535 841 HB2 SER 107 2HB SER 107 13.716 10.263 -9.221 842 HB3 SER 107 3HB SER 107 14.965 9.034 -9.414 843 HG SER 107 HG SER 107 14.327 11.069 -11.052 844 H ASN 108 H ASN 108 11.696 7.302 -11.984 845 HA ASN 108 HA ASN 108 13.891 5.640 -12.981 846 HB2 ASN 108 2HB ASN 108 12.153 4.626 -14.432 847 HB3 ASN 108 3HB ASN 108 11.694 4.585 -12.730 848 HD21 ASN 108 1HD2 ASN 108 11.043 5.981 -15.834 849 HD22 ASN 108 2HD2 ASN 108 9.535 6.711 -15.406 850 H LEU 109 H LEU 109 13.113 8.731 -13.385 851 HA LEU 109 HA LEU 109 13.351 8.869 -16.301 852 HB2 LEU 109 2HB LEU 109 12.854 11.045 -14.251 853 HB3 LEU 109 3HB LEU 109 12.923 11.297 -15.983 854 HG LEU 109 HG LEU 109 10.934 9.736 -16.187 855 HD11 LEU 109 1HD1 LEU 109 9.548 9.422 -14.187 856 HD12 LEU 109 2HD1 LEU 109 10.822 10.133 -13.196 857 HD13 LEU 109 3HD1 LEU 109 11.108 8.610 -14.037 858 HD21 LEU 109 3HD2 LEU 109 10.557 12.281 -14.604 859 HD22 LEU 109 1HD2 LEU 109 9.323 11.463 -15.564 860 HD23 LEU 109 2HD2 LEU 109 10.732 12.168 -16.358 861 H GLU 110 H GLU 110 14.709 11.018 -16.904 862 HA GLU 110 HA GLU 110 17.425 10.511 -16.040 863 HB2 GLU 110 2HB GLU 110 16.266 12.520 -17.988 864 HB3 GLU 110 3HB GLU 110 17.988 12.307 -17.694 865 HG2 GLU 110 2HG GLU 110 17.907 10.051 -18.532 866 HG3 GLU 110 3HG GLU 110 16.155 10.131 -18.694 867 H HIS 111 H HIS 111 18.374 11.490 -14.366 868 HA HIS 111 HA HIS 111 16.998 13.336 -12.725 869 HB2 HIS 111 2HB HIS 111 19.951 12.665 -12.682 870 HB3 HIS 111 3HB HIS 111 19.027 13.390 -11.371 871 HD1 HIS 111 HD1 HIS 111 20.598 10.493 -11.609 872 HD2 HIS 111 HD2 HIS 111 16.517 11.241 -11.347 873 HE1 HIS 111 HE1 HIS 111 19.584 8.383 -10.712 874 HE2 HIS 111 HE2 HIS 111 17.109 8.802 -10.705 875 H HIS 112 H HIS 112 19.506 13.743 -15.154 876 HA HIS 112 HA HIS 112 20.633 15.535 -15.979 877 HB2 HIS 112 2HB HIS 112 19.191 17.278 -16.923 878 HB3 HIS 112 3HB HIS 112 18.521 15.676 -17.182 879 HD1 HIS 112 HD1 HIS 112 17.910 18.851 -15.250 880 HD2 HIS 112 HD2 HIS 112 16.012 15.254 -16.079 881 HE1 HIS 112 HE1 HIS 112 15.564 19.121 -14.410 882 HE2 HIS 112 HE2 HIS 112 14.447 16.919 -14.874 883 H HIS 113 H HIS 113 20.411 18.266 -15.866 884 HA HIS 113 HA HIS 113 20.933 20.132 -14.684 885 HB2 HIS 113 2HB HIS 113 18.784 19.698 -13.548 886 HB3 HIS 113 3HB HIS 113 19.613 18.698 -12.362 887 HD1 HIS 113 HD1 HIS 113 20.041 19.898 -10.241 888 HD2 HIS 113 HD2 HIS 113 20.003 22.498 -13.481 889 HE1 HIS 113 HE1 HIS 113 20.381 22.186 -9.274 890 HE2 HIS 113 HE2 HIS 113 20.252 23.751 -11.236 891 H HIS 114 H HIS 114 22.603 17.457 -14.457 892 HA HIS 114 HA HIS 114 24.443 18.525 -12.404 893 HB2 HIS 114 2HB HIS 114 24.014 15.610 -13.110 894 HB3 HIS 114 3HB HIS 114 25.152 16.228 -11.914 895 HD1 HIS 114 HD1 HIS 114 21.948 14.745 -12.072 896 HD2 HIS 114 HD2 HIS 114 23.582 17.853 -9.855 897 HE1 HIS 114 HE1 HIS 114 20.427 15.035 -10.101 898 HE2 HIS 114 HE2 HIS 114 21.415 16.936 -8.789 899 H HIS 115 H HIS 115 25.703 19.686 -13.810 900 HA HIS 115 HA HIS 115 27.492 18.086 -15.522 901 HB2 HIS 115 2HB HIS 115 26.249 20.764 -16.219 902 HB3 HIS 115 3HB HIS 115 27.591 20.050 -17.102 903 HD1 HIS 115 HD1 HIS 115 27.006 18.492 -18.960 904 HD2 HIS 115 HD2 HIS 115 23.780 19.217 -16.443 905 HE1 HIS 115 HE1 HIS 115 25.031 17.426 -20.075 906 HE2 HIS 115 HE2 HIS 115 23.136 17.721 -18.454 907 H HIS 116 H HIS 116 29.661 18.690 -15.431 908 HA HIS 116 HA HIS 116 30.381 20.593 -13.331 909 HB2 HIS 116 2HB HIS 116 31.488 18.404 -13.338 910 HB3 HIS 116 3HB HIS 116 32.108 18.706 -14.958 911 HD1 HIS 116 HD1 HIS 116 32.392 20.196 -11.465 912 HD2 HIS 116 HD2 HIS 116 34.571 19.869 -14.989 913 HE1 HIS 116 HE1 HIS 116 34.639 21.186 -10.960 914 HE2 HIS 116 HE2 HIS 116 35.988 20.818 -13.047 Start of MODEL 15 1 H1 MET 1 1H MET 1 11.077 -29.002 -3.163 2 H2 MET 1 2H MET 1 10.437 -27.850 -4.226 3 H3 MET 1 3H MET 1 12.054 -28.319 -4.365 4 HA MET 1 HA MET 1 10.700 -29.310 -6.084 5 HB2 MET 1 2HB MET 1 11.372 -31.703 -5.641 6 HB3 MET 1 3HB MET 1 12.657 -30.513 -5.515 7 HG2 MET 1 2HG MET 1 12.915 -32.079 -3.742 8 HG3 MET 1 3HG MET 1 12.377 -30.554 -3.043 9 HE1 MET 1 3HE MET 1 10.258 -33.246 -4.983 10 HE2 MET 1 1HE MET 1 9.628 -34.217 -3.651 11 HE3 MET 1 2HE MET 1 11.352 -34.231 -4.012 12 H ALA 2 H ALA 2 9.463 -29.929 -2.847 13 HA ALA 2 HA ALA 2 7.126 -31.314 -3.968 14 HB1 ALA 2 3HB ALA 2 6.555 -31.836 -1.646 15 HB2 ALA 2 1HB ALA 2 7.924 -30.873 -1.087 16 HB3 ALA 2 2HB ALA 2 8.203 -32.341 -2.024 17 H ALA 3 H ALA 3 5.361 -30.146 -4.467 18 HA ALA 3 HA ALA 3 4.677 -27.800 -2.854 19 HB1 ALA 3 3HB ALA 3 6.092 -26.954 -4.685 20 HB2 ALA 3 1HB ALA 3 4.441 -26.337 -4.772 21 HB3 ALA 3 2HB ALA 3 4.959 -27.630 -5.855 22 H SER 4 H SER 4 2.743 -28.571 -2.137 23 HA SER 4 HA SER 4 0.795 -29.703 -3.995 24 HB2 SER 4 2HB SER 4 0.638 -29.194 -1.008 25 HB3 SER 4 3HB SER 4 -0.626 -29.974 -1.959 26 HG SER 4 HG SER 4 0.514 -31.755 -2.043 27 H THR 5 H THR 5 1.537 -26.689 -2.496 28 HA THR 5 HA THR 5 -0.732 -25.441 -3.906 29 HB THR 5 HB THR 5 0.103 -24.732 -1.074 30 HG1 THR 5 HG1 THR 5 -1.379 -26.123 -0.520 31 HG21 THR 5 3HG2 THR 5 -2.095 -23.579 -2.810 32 HG22 THR 5 1HG2 THR 5 -0.599 -22.758 -2.360 33 HG23 THR 5 2HG2 THR 5 -1.788 -23.166 -1.124 34 H VAL 6 H VAL 6 -0.041 -23.849 -5.216 35 HA VAL 6 HA VAL 6 2.673 -23.139 -5.455 36 HB VAL 6 HB VAL 6 1.090 -22.989 -7.329 37 HG11 VAL 6 1HG1 VAL 6 -0.038 -20.571 -5.908 38 HG12 VAL 6 2HG1 VAL 6 -0.855 -22.116 -6.142 39 HG13 VAL 6 3HG1 VAL 6 -0.465 -21.107 -7.535 40 HG21 VAL 6 3HG2 VAL 6 3.182 -21.745 -7.467 41 HG22 VAL 6 1HG2 VAL 6 2.431 -20.353 -6.688 42 HG23 VAL 6 2HG2 VAL 6 1.893 -20.868 -8.289 43 H HIS 7 H HIS 7 0.010 -21.532 -3.785 44 HA HIS 7 HA HIS 7 -0.100 -19.811 -2.319 45 HB2 HIS 7 2HB HIS 7 1.462 -21.134 -1.005 46 HB3 HIS 7 3HB HIS 7 2.826 -20.473 -1.900 47 HD1 HIS 7 HD1 HIS 7 3.674 -18.151 -1.224 48 HD2 HIS 7 HD2 HIS 7 0.290 -19.351 0.875 49 HE1 HIS 7 HE1 HIS 7 3.434 -16.515 0.660 50 HE2 HIS 7 HE2 HIS 7 1.314 -17.178 1.833 51 H THR 8 H THR 8 -0.530 -18.351 -4.073 52 HA THR 8 HA THR 8 1.553 -16.739 -5.210 53 HB THR 8 HB THR 8 -1.427 -16.177 -5.119 54 HG1 THR 8 HG1 THR 8 -1.187 -17.029 -7.372 55 HG21 THR 8 3HG2 THR 8 -0.084 -14.190 -5.668 56 HG22 THR 8 1HG2 THR 8 -0.999 -14.748 -7.070 57 HG23 THR 8 2HG2 THR 8 0.726 -15.092 -6.950 58 H SER 9 H SER 9 2.700 -15.371 -3.962 59 HA SER 9 HA SER 9 1.477 -14.044 -1.671 60 HB2 SER 9 2HB SER 9 3.752 -14.943 -1.429 61 HB3 SER 9 3HB SER 9 4.315 -13.893 -2.729 62 HG SER 9 HG SER 9 4.767 -12.962 -0.723 63 H PHE 10 H PHE 10 2.428 -11.599 -1.457 64 HA PHE 10 HA PHE 10 1.793 -10.163 -3.943 65 HB2 PHE 10 2HB PHE 10 0.328 -9.673 -1.334 66 HB3 PHE 10 3HB PHE 10 0.125 -8.752 -2.821 67 HD1 PHE 10 HD1 PHE 10 -0.687 -10.031 -4.896 68 HD2 PHE 10 HD2 PHE 10 -0.991 -11.557 -0.930 69 HE1 PHE 10 HE1 PHE 10 -2.425 -11.601 -5.638 70 HE2 PHE 10 HE2 PHE 10 -2.732 -13.128 -1.669 71 HZ PHE 10 HZ PHE 10 -3.452 -13.153 -4.025 72 H ILE 11 H ILE 11 2.694 -8.134 -4.129 73 HA ILE 11 HA ILE 11 4.465 -7.238 -1.928 74 HB ILE 11 HB ILE 11 4.907 -6.913 -4.908 75 HG12 ILE 11 2HG1 ILE 11 6.323 -8.677 -2.888 76 HG13 ILE 11 3HG1 ILE 11 5.263 -9.224 -4.182 77 HG21 ILE 11 1HG2 ILE 11 5.795 -5.017 -3.670 78 HG22 ILE 11 2HG2 ILE 11 7.114 -6.016 -4.283 79 HG23 ILE 11 3HG2 ILE 11 6.659 -6.105 -2.581 80 HD11 ILE 11 3HD1 ILE 11 7.597 -9.565 -4.745 81 HD12 ILE 11 1HD1 ILE 11 7.916 -7.843 -4.541 82 HD13 ILE 11 2HD1 ILE 11 6.853 -8.397 -5.836 83 H LEU 12 H LEU 12 4.373 -5.117 -1.312 84 HA LEU 12 HA LEU 12 2.221 -3.485 -2.443 85 HB2 LEU 12 2HB LEU 12 2.289 -3.830 -0.018 86 HB3 LEU 12 3HB LEU 12 3.894 -3.125 0.050 87 HG LEU 12 HG LEU 12 2.931 -0.958 -0.743 88 HD11 LEU 12 1HD1 LEU 12 0.958 -1.759 -1.887 89 HD12 LEU 12 2HD1 LEU 12 0.487 -0.649 -0.600 90 HD13 LEU 12 3HD1 LEU 12 0.298 -2.390 -0.376 91 HD21 LEU 12 3HD2 LEU 12 3.326 -1.345 1.631 92 HD22 LEU 12 1HD2 LEU 12 1.732 -2.085 1.793 93 HD23 LEU 12 2HD2 LEU 12 1.877 -0.373 1.392 94 H LYS 13 H LYS 13 2.592 -1.839 -3.767 95 HA LYS 13 HA LYS 13 5.250 -0.543 -3.815 96 HB2 LYS 13 2HB LYS 13 3.228 -0.753 -6.060 97 HB3 LYS 13 3HB LYS 13 4.786 0.061 -6.154 98 HG2 LYS 13 2HG LYS 13 5.921 -2.083 -5.784 99 HG3 LYS 13 3HG LYS 13 4.353 -2.893 -5.711 100 HD2 LYS 13 2HD LYS 13 5.509 -1.405 -8.075 101 HD3 LYS 13 3HD LYS 13 5.330 -3.156 -7.921 102 HE2 LYS 13 2HE LYS 13 2.842 -2.768 -7.682 103 HE3 LYS 13 3HE LYS 13 3.139 -1.088 -8.128 104 HZ1 LYS 13 3HZ LYS 13 3.722 -3.479 -9.788 105 HZ2 LYS 13 1HZ LYS 13 4.098 -1.887 -10.223 106 HZ3 LYS 13 2HZ LYS 13 2.485 -2.359 -10.044 107 H VAL 14 H VAL 14 5.229 1.440 -2.963 108 HA VAL 14 HA VAL 14 2.732 3.006 -3.034 109 HB VAL 14 HB VAL 14 5.074 3.260 -1.136 110 HG11 VAL 14 1HG1 VAL 14 2.429 4.720 -1.181 111 HG12 VAL 14 2HG1 VAL 14 4.019 5.415 -1.498 112 HG13 VAL 14 3HG1 VAL 14 3.624 4.815 0.113 113 HG21 VAL 14 3HG2 VAL 14 3.538 2.388 0.566 114 HG22 VAL 14 1HG2 VAL 14 3.782 1.225 -0.736 115 HG23 VAL 14 2HG2 VAL 14 2.293 2.169 -0.664 116 H LEU 15 H LEU 15 2.677 4.672 -4.376 117 HA LEU 15 HA LEU 15 5.128 5.786 -5.503 118 HB2 LEU 15 2HB LEU 15 2.832 5.183 -6.699 119 HB3 LEU 15 3HB LEU 15 2.395 6.803 -6.194 120 HG LEU 15 HG LEU 15 4.713 6.060 -7.999 121 HD11 LEU 15 1HD1 LEU 15 2.113 7.476 -8.600 122 HD12 LEU 15 2HD1 LEU 15 2.541 5.834 -9.085 123 HD13 LEU 15 3HD1 LEU 15 3.432 7.206 -9.741 124 HD21 LEU 15 3HD2 LEU 15 4.977 8.487 -8.341 125 HD22 LEU 15 1HD2 LEU 15 5.307 8.006 -6.676 126 HD23 LEU 15 2HD2 LEU 15 3.775 8.783 -7.084 127 H TRP 16 H TRP 16 6.101 7.356 -4.391 128 HA TRP 16 HA TRP 16 4.640 8.975 -2.461 129 HB2 TRP 16 2HB TRP 16 6.931 7.824 -2.115 130 HB3 TRP 16 3HB TRP 16 7.596 9.149 -3.062 131 HD1 TRP 16 HD1 TRP 16 7.851 11.500 -1.847 132 HE1 TRP 16 HE1 TRP 16 7.637 12.228 0.615 133 HE3 TRP 16 HE3 TRP 16 5.528 7.351 0.039 134 HZ2 TRP 16 HZ2 TRP 16 6.610 11.192 3.027 135 HZ3 TRP 16 HZ3 TRP 16 4.962 7.302 2.433 136 HH2 TRP 16 HH2 TRP 16 5.493 9.183 3.896 137 H LEU 17 H LEU 17 3.684 10.821 -3.151 138 HA LEU 17 HA LEU 17 4.924 12.310 -5.380 139 HB2 LEU 17 2HB LEU 17 2.046 12.113 -4.499 140 HB3 LEU 17 3HB LEU 17 2.607 13.288 -5.672 141 HG LEU 17 HG LEU 17 2.785 10.285 -6.010 142 HD11 LEU 17 1HD1 LEU 17 0.895 12.293 -7.246 143 HD12 LEU 17 2HD1 LEU 17 0.474 11.044 -6.073 144 HD13 LEU 17 3HD1 LEU 17 1.016 10.589 -7.688 145 HD21 LEU 17 3HD2 LEU 17 3.409 10.810 -8.318 146 HD22 LEU 17 1HD2 LEU 17 4.568 11.493 -7.177 147 HD23 LEU 17 2HD2 LEU 17 3.368 12.533 -7.946 148 H ASP 18 H ASP 18 3.869 14.682 -5.343 149 HA ASP 18 HA ASP 18 5.309 16.124 -3.418 150 HB2 ASP 18 2HB ASP 18 2.942 17.285 -4.891 151 HB3 ASP 18 3HB ASP 18 4.445 18.077 -4.432 152 H GLN 19 H GLN 19 1.762 15.834 -3.753 153 HA GLN 19 HA GLN 19 1.490 16.482 -0.876 154 HB2 GLN 19 2HB GLN 19 -0.386 17.213 -3.140 155 HB3 GLN 19 3HB GLN 19 -0.675 17.544 -1.437 156 HG2 GLN 19 2HG GLN 19 1.285 19.002 -1.377 157 HG3 GLN 19 3HG GLN 19 1.603 18.656 -3.075 158 HE21 GLN 19 1HE2 GLN 19 1.058 21.205 -1.762 159 HE22 GLN 19 2HE2 GLN 19 -0.323 21.862 -2.565 160 H ASN 20 H ASN 20 1.145 14.017 -3.052 161 HA ASN 20 HA ASN 20 -0.996 12.752 -1.463 162 HB2 ASN 20 2HB ASN 20 -0.647 12.583 -4.468 163 HB3 ASN 20 3HB ASN 20 -1.776 11.605 -3.537 164 HD21 ASN 20 1HD2 ASN 20 -2.408 13.847 -1.727 165 HD22 ASN 20 2HD2 ASN 20 -3.440 14.888 -2.635 166 H VAL 21 H VAL 21 -1.060 10.325 -1.865 167 HA VAL 21 HA VAL 21 1.525 9.092 -2.442 168 HB VAL 21 HB VAL 21 1.801 9.510 -0.104 169 HG11 VAL 21 1HG1 VAL 21 -0.946 8.332 0.318 170 HG12 VAL 21 2HG1 VAL 21 -0.515 10.037 0.446 171 HG13 VAL 21 3HG1 VAL 21 0.154 8.871 1.587 172 HG21 VAL 21 3HG2 VAL 21 1.859 7.261 0.876 173 HG22 VAL 21 1HG2 VAL 21 2.473 7.267 -0.779 174 HG23 VAL 21 2HG2 VAL 21 0.850 6.663 -0.442 175 H ALA 22 H ALA 22 1.135 7.364 -3.706 176 HA ALA 22 HA ALA 22 -1.585 6.218 -3.708 177 HB1 ALA 22 3HB ALA 22 -1.148 5.540 -6.002 178 HB2 ALA 22 1HB ALA 22 0.502 6.152 -5.887 179 HB3 ALA 22 2HB ALA 22 -0.860 7.268 -5.801 180 H ILE 23 H ILE 23 -1.929 3.985 -3.677 181 HA ILE 23 HA ILE 23 0.450 2.303 -3.149 182 HB ILE 23 HB ILE 23 -0.913 0.916 -1.636 183 HG12 ILE 23 2HG1 ILE 23 -3.023 3.083 -1.929 184 HG13 ILE 23 3HG1 ILE 23 -3.139 1.459 -2.596 185 HG21 ILE 23 1HG2 ILE 23 0.494 2.640 -0.682 186 HG22 ILE 23 2HG2 ILE 23 -0.993 2.496 0.256 187 HG23 ILE 23 3HG2 ILE 23 -0.787 3.836 -0.874 188 HD11 ILE 23 3HD1 ILE 23 -3.015 2.173 0.327 189 HD12 ILE 23 1HD1 ILE 23 -3.084 0.534 -0.325 190 HD13 ILE 23 2HD1 ILE 23 -4.437 1.639 -0.569 191 H ALA 24 H ALA 24 0.589 0.364 -4.149 192 HA ALA 24 HA ALA 24 -1.715 -0.763 -5.576 193 HB1 ALA 24 3HB ALA 24 -0.427 -1.076 -7.634 194 HB2 ALA 24 1HB ALA 24 0.944 -0.225 -6.916 195 HB3 ALA 24 2HB ALA 24 -0.561 0.636 -7.234 196 H VAL 25 H VAL 25 -1.292 -3.045 -6.282 197 HA VAL 25 HA VAL 25 0.834 -4.349 -4.697 198 HB VAL 25 HB VAL 25 -2.059 -5.246 -4.813 199 HG11 VAL 25 1HG1 VAL 25 -0.584 -7.180 -4.869 200 HG12 VAL 25 2HG1 VAL 25 -1.358 -7.057 -3.288 201 HG13 VAL 25 3HG1 VAL 25 0.322 -6.558 -3.489 202 HG21 VAL 25 3HG2 VAL 25 -2.035 -4.869 -2.385 203 HG22 VAL 25 1HG2 VAL 25 -1.702 -3.383 -3.275 204 HG23 VAL 25 2HG2 VAL 25 -0.383 -4.261 -2.497 205 H ASP 26 H ASP 26 1.979 -5.844 -5.770 206 HA ASP 26 HA ASP 26 0.918 -6.947 -8.299 207 HB2 ASP 26 2HB ASP 26 3.760 -6.688 -7.280 208 HB3 ASP 26 3HB ASP 26 3.333 -7.603 -8.721 209 H GLN 27 H GLN 27 0.776 -9.162 -8.614 210 HA GLN 27 HA GLN 27 1.005 -10.816 -6.213 211 HB2 GLN 27 2HB GLN 27 -0.270 -12.491 -7.434 212 HB3 GLN 27 3HB GLN 27 -1.074 -10.932 -7.528 213 HG2 GLN 27 2HG GLN 27 -0.214 -10.614 -9.791 214 HG3 GLN 27 3HG GLN 27 0.612 -12.169 -9.701 215 HE21 GLN 27 1HE2 GLN 27 -0.639 -14.072 -9.707 216 HE22 GLN 27 2HE2 GLN 27 -2.269 -14.079 -10.267 217 H ILE 28 H ILE 28 2.570 -12.293 -5.886 218 HA ILE 28 HA ILE 28 4.764 -12.472 -7.753 219 HB ILE 28 HB ILE 28 4.351 -13.888 -5.110 220 HG12 ILE 28 2HG1 ILE 28 5.921 -11.388 -5.824 221 HG13 ILE 28 3HG1 ILE 28 4.453 -11.454 -4.851 222 HG21 ILE 28 1HG2 ILE 28 6.770 -14.337 -5.190 223 HG22 ILE 28 2HG2 ILE 28 6.843 -13.628 -6.804 224 HG23 ILE 28 3HG2 ILE 28 5.918 -15.104 -6.531 225 HD11 ILE 28 3HD1 ILE 28 5.654 -12.739 -3.153 226 HD12 ILE 28 1HD1 ILE 28 6.405 -11.175 -3.459 227 HD13 ILE 28 2HD1 ILE 28 7.121 -12.640 -4.128 228 H VAL 29 H VAL 29 4.804 -13.824 -9.394 229 HA VAL 29 HA VAL 29 3.502 -16.477 -9.191 230 HB VAL 29 HB VAL 29 3.833 -14.894 -11.756 231 HG11 VAL 29 1HG1 VAL 29 3.576 -17.300 -12.057 232 HG12 VAL 29 2HG1 VAL 29 2.149 -16.443 -12.642 233 HG13 VAL 29 3HG1 VAL 29 2.100 -17.279 -11.091 234 HG21 VAL 29 3HG2 VAL 29 1.392 -15.019 -9.976 235 HG22 VAL 29 1HG2 VAL 29 1.442 -14.322 -11.598 236 HG23 VAL 29 2HG2 VAL 29 2.389 -13.599 -10.296 237 H GLY 30 H GLY 30 4.531 -18.154 -10.623 238 HA2 GLY 30 2HA GLY 30 7.302 -18.361 -10.403 239 HA3 GLY 30 3HA GLY 30 6.328 -19.263 -11.554 240 H LYS 31 H LYS 31 5.431 -16.689 -12.804 241 HA LYS 31 HA LYS 31 7.536 -16.366 -14.727 242 HB2 LYS 31 2HB LYS 31 4.924 -14.888 -14.338 243 HB3 LYS 31 3HB LYS 31 5.984 -14.681 -15.722 244 HG2 LYS 31 2HG LYS 31 4.999 -17.423 -15.084 245 HG3 LYS 31 3HG LYS 31 3.884 -16.271 -15.814 246 HD2 LYS 31 2HD LYS 31 4.889 -17.553 -17.573 247 HD3 LYS 31 3HD LYS 31 5.536 -15.917 -17.647 248 HE2 LYS 31 2HE LYS 31 7.583 -16.650 -16.558 249 HE3 LYS 31 3HE LYS 31 6.931 -18.279 -16.383 250 HZ1 LYS 31 3HZ LYS 31 6.857 -18.471 -18.788 251 HZ2 LYS 31 1HZ LYS 31 8.428 -18.119 -18.268 252 HZ3 LYS 31 2HZ LYS 31 7.471 -16.908 -18.956 253 H GLY 32 H GLY 32 6.654 -14.746 -11.806 254 HA2 GLY 32 2HA GLY 32 8.624 -13.184 -11.150 255 HA3 GLY 32 3HA GLY 32 8.071 -12.274 -12.549 256 H THR 33 H THR 33 6.739 -10.616 -12.061 257 HA THR 33 HA THR 33 4.710 -11.016 -9.961 258 HB THR 33 HB THR 33 4.932 -8.664 -9.211 259 HG1 THR 33 HG1 THR 33 6.224 -7.342 -10.226 260 HG21 THR 33 3HG2 THR 33 7.445 -10.318 -8.920 261 HG22 THR 33 1HG2 THR 33 6.001 -10.422 -7.913 262 HG23 THR 33 2HG2 THR 33 6.991 -8.961 -7.887 263 H SER 34 H SER 34 2.733 -10.538 -10.604 264 HA SER 34 HA SER 34 2.383 -9.010 -13.113 265 HB2 SER 34 2HB SER 34 1.573 -11.331 -13.223 266 HB3 SER 34 3HB SER 34 0.535 -11.048 -11.827 267 HG SER 34 HG SER 34 -0.556 -10.887 -13.870 268 HA PRO 35 HA PRO 35 0.674 -5.699 -10.649 269 HB2 PRO 35 2HB PRO 35 -0.809 -4.502 -12.664 270 HB3 PRO 35 3HB PRO 35 0.915 -4.239 -12.390 271 HG2 PRO 35 2HG PRO 35 -0.436 -6.077 -14.333 272 HG3 PRO 35 3HG PRO 35 0.984 -5.042 -14.574 273 HD2 PRO 35 2HD PRO 35 1.244 -7.676 -14.175 274 HD3 PRO 35 3HD PRO 35 2.407 -6.527 -13.476 275 H LEU 36 H LEU 36 -0.802 -6.426 -9.195 276 HA LEU 36 HA LEU 36 -3.269 -7.696 -10.043 277 HB2 LEU 36 2HB LEU 36 -1.985 -8.472 -8.063 278 HB3 LEU 36 3HB LEU 36 -2.332 -6.950 -7.265 279 HG LEU 36 HG LEU 36 -4.777 -7.512 -7.404 280 HD11 LEU 36 1HD1 LEU 36 -4.691 -9.079 -9.260 281 HD12 LEU 36 2HD1 LEU 36 -5.407 -9.834 -7.837 282 HD13 LEU 36 3HD1 LEU 36 -3.742 -10.206 -8.288 283 HD21 LEU 36 3HD2 LEU 36 -3.537 -7.868 -5.343 284 HD22 LEU 36 1HD2 LEU 36 -3.025 -9.460 -5.900 285 HD23 LEU 36 2HD2 LEU 36 -4.730 -9.145 -5.571 286 H THR 37 H THR 37 -2.495 -4.842 -8.026 287 HA THR 37 HA THR 37 -5.104 -3.677 -8.809 288 HB THR 37 HB THR 37 -5.183 -2.501 -6.674 289 HG1 THR 37 HG1 THR 37 -3.462 -2.336 -5.456 290 HG21 THR 37 3HG2 THR 37 -5.503 -4.404 -5.154 291 HG22 THR 37 1HG2 THR 37 -4.635 -5.451 -6.276 292 HG23 THR 37 2HG2 THR 37 -6.179 -4.741 -6.749 293 H SER 38 H SER 38 -5.199 -1.442 -9.206 294 HA SER 38 HA SER 38 -2.761 -0.255 -10.206 295 HB2 SER 38 2HB SER 38 -4.869 0.058 -11.436 296 HB3 SER 38 3HB SER 38 -5.567 0.893 -10.049 297 HG SER 38 HG SER 38 -4.824 2.529 -11.250 298 H TYR 39 H TYR 39 -2.511 2.222 -9.719 299 HA TYR 39 HA TYR 39 -1.814 2.379 -6.930 300 HB2 TYR 39 2HB TYR 39 -1.481 4.338 -9.214 301 HB3 TYR 39 3HB TYR 39 -0.890 4.631 -7.583 302 HD1 TYR 39 HD1 TYR 39 -0.531 2.392 -10.530 303 HD2 TYR 39 HD2 TYR 39 1.168 3.713 -6.852 304 HE1 TYR 39 HE1 TYR 39 1.559 1.220 -11.078 305 HE2 TYR 39 HE2 TYR 39 3.261 2.542 -7.394 306 HH TYR 39 HH TYR 39 4.109 0.813 -8.777 307 H PHE 40 H PHE 40 -3.483 2.704 -5.544 308 HA PHE 40 HA PHE 40 -5.602 4.603 -6.089 309 HB2 PHE 40 2HB PHE 40 -4.958 3.165 -3.498 310 HB3 PHE 40 3HB PHE 40 -6.464 3.985 -3.892 311 HD1 PHE 40 HD1 PHE 40 -7.724 3.084 -6.005 312 HD2 PHE 40 HD2 PHE 40 -4.790 0.882 -3.837 313 HE1 PHE 40 HE1 PHE 40 -8.632 0.984 -6.909 314 HE2 PHE 40 HE2 PHE 40 -5.691 -1.219 -4.748 315 HZ PHE 40 HZ PHE 40 -7.614 -1.171 -6.282 316 H PHE 41 H PHE 41 -5.390 6.751 -5.785 317 HA PHE 41 HA PHE 41 -3.041 7.774 -4.426 318 HB2 PHE 41 2HB PHE 41 -5.254 9.189 -5.930 319 HB3 PHE 41 3HB PHE 41 -3.832 9.989 -5.270 320 HD1 PHE 41 HD1 PHE 41 -5.081 7.735 -7.881 321 HD2 PHE 41 HD2 PHE 41 -1.657 9.720 -6.306 322 HE1 PHE 41 HE1 PHE 41 -3.851 7.255 -9.957 323 HE2 PHE 41 HE2 PHE 41 -0.423 9.237 -8.378 324 HZ PHE 41 HZ PHE 41 -1.517 8.006 -10.206 325 H TRP 42 H TRP 42 -3.189 7.745 -2.245 326 HA TRP 42 HA TRP 42 -5.529 8.791 -0.861 327 HB2 TRP 42 2HB TRP 42 -4.548 6.910 0.199 328 HB3 TRP 42 3HB TRP 42 -2.920 7.543 0.010 329 HD1 TRP 42 HD1 TRP 42 -1.960 8.978 1.943 330 HE1 TRP 42 HE1 TRP 42 -2.788 9.666 4.252 331 HE3 TRP 42 HE3 TRP 42 -6.861 7.572 1.487 332 HZ2 TRP 42 HZ2 TRP 42 -5.194 9.634 5.714 333 HZ3 TRP 42 HZ3 TRP 42 -8.364 7.937 3.409 334 HH2 TRP 42 HH2 TRP 42 -7.541 8.947 5.479 335 HA PRO 43 HA PRO 43 -6.301 9.886 0.551 336 HB2 PRO 43 2HB PRO 43 -7.283 12.112 1.622 337 HB3 PRO 43 3HB PRO 43 -5.887 11.310 2.352 338 HG2 PRO 43 2HG PRO 43 -5.991 13.784 0.689 339 HG3 PRO 43 3HG PRO 43 -4.922 13.385 2.044 340 HD2 PRO 43 2HD PRO 43 -4.336 13.133 -0.727 341 HD3 PRO 43 3HD PRO 43 -3.353 12.554 0.631 342 H ARG 44 H ARG 44 -5.774 11.162 -2.272 343 HA ARG 44 HA ARG 44 -8.183 12.592 -2.877 344 HB2 ARG 44 2HB ARG 44 -5.982 11.439 -4.579 345 HB3 ARG 44 3HB ARG 44 -7.394 12.214 -5.286 346 HG2 ARG 44 2HG ARG 44 -5.482 13.527 -3.350 347 HG3 ARG 44 3HG ARG 44 -5.476 13.744 -5.104 348 HD2 ARG 44 2HD ARG 44 -7.731 14.472 -3.217 349 HD3 ARG 44 3HD ARG 44 -6.631 15.598 -4.017 350 HE ARG 44 HE ARG 44 -7.596 14.672 -6.155 351 HH11 ARG 44 1HH1 ARG 44 -9.447 14.719 -3.233 352 HH12 ARG 44 2HH1 ARG 44 -10.953 14.820 -4.076 353 HH21 ARG 44 1HH2 ARG 44 -9.514 14.776 -7.200 354 HH22 ARG 44 2HH2 ARG 44 -10.993 14.823 -6.303 355 H ALA 45 H ALA 45 -7.577 9.348 -2.406 356 HA ALA 45 HA ALA 45 -10.273 8.679 -3.232 357 HB1 ALA 45 3HB ALA 45 -9.625 6.730 -4.549 358 HB2 ALA 45 1HB ALA 45 -7.919 7.114 -4.314 359 HB3 ALA 45 2HB ALA 45 -8.945 8.196 -5.254 360 H ASP 46 H ASP 46 -11.048 6.735 -2.196 361 HA ASP 46 HA ASP 46 -9.955 6.256 0.371 362 HB2 ASP 46 2HB ASP 46 -12.015 4.656 -1.171 363 HB3 ASP 46 3HB ASP 46 -11.697 4.514 0.556 364 H ALA 47 H ALA 47 -7.807 5.644 0.047 365 HA ALA 47 HA ALA 47 -6.884 3.718 -1.748 366 HB1 ALA 47 3HB ALA 47 -5.475 5.432 -0.703 367 HB2 ALA 47 1HB ALA 47 -4.787 3.815 -0.541 368 HB3 ALA 47 2HB ALA 47 -5.589 4.576 0.834 369 H TRP 48 H TRP 48 -7.025 3.284 1.815 370 HA TRP 48 HA TRP 48 -6.387 0.541 1.704 371 HB2 TRP 48 2HB TRP 48 -6.125 2.014 3.718 372 HB3 TRP 48 3HB TRP 48 -7.870 1.958 3.935 373 HD1 TRP 48 HD1 TRP 48 -4.837 -0.446 3.907 374 HE1 TRP 48 HE1 TRP 48 -5.361 -2.415 5.473 375 HE3 TRP 48 HE3 TRP 48 -9.657 0.746 5.137 376 HZ2 TRP 48 HZ2 TRP 48 -7.522 -3.348 7.024 377 HZ3 TRP 48 HZ3 TRP 48 -10.884 -0.740 6.667 378 HH2 TRP 48 HH2 TRP 48 -9.838 -2.746 7.592 379 H GLN 49 H GLN 49 -9.508 2.198 1.835 380 HA GLN 49 HA GLN 49 -11.128 -0.080 2.211 381 HB2 GLN 49 2HB GLN 49 -11.948 2.206 2.568 382 HB3 GLN 49 3HB GLN 49 -11.806 2.536 0.847 383 HG2 GLN 49 2HG GLN 49 -14.118 2.106 1.433 384 HG3 GLN 49 3HG GLN 49 -13.510 0.833 0.375 385 HE21 GLN 49 1HE2 GLN 49 -12.823 1.107 3.816 386 HE22 GLN 49 2HE2 GLN 49 -13.679 -0.320 4.276 387 H GLN 50 H GLN 50 -10.349 1.674 -0.821 388 HA GLN 50 HA GLN 50 -11.648 -0.155 -2.533 389 HB2 GLN 50 2HB GLN 50 -9.402 1.798 -3.054 390 HB3 GLN 50 3HB GLN 50 -10.195 0.877 -4.325 391 HG2 GLN 50 2HG GLN 50 -12.303 1.939 -3.860 392 HG3 GLN 50 3HG GLN 50 -11.625 2.767 -2.461 393 HE21 GLN 50 1HE2 GLN 50 -9.124 3.409 -3.788 394 HE22 GLN 50 2HE2 GLN 50 -9.479 4.655 -4.925 395 H LEU 51 H LEU 51 -8.402 -0.125 -1.172 396 HA LEU 51 HA LEU 51 -7.288 -2.162 -2.787 397 HB2 LEU 51 2HB LEU 51 -5.897 -0.695 -1.433 398 HB3 LEU 51 3HB LEU 51 -6.620 -1.320 0.037 399 HG LEU 51 HG LEU 51 -5.617 -3.524 -0.389 400 HD11 LEU 51 1HD1 LEU 51 -3.942 -3.792 -2.172 401 HD12 LEU 51 2HD1 LEU 51 -4.377 -2.204 -2.806 402 HD13 LEU 51 3HD1 LEU 51 -5.562 -3.511 -2.809 403 HD21 LEU 51 3HD2 LEU 51 -3.287 -2.917 0.033 404 HD22 LEU 51 1HD2 LEU 51 -4.388 -1.896 0.959 405 HD23 LEU 51 2HD2 LEU 51 -3.612 -1.266 -0.495 406 H LYS 52 H LYS 52 -8.703 -2.362 0.514 407 HA LYS 52 HA LYS 52 -8.554 -5.177 0.664 408 HB2 LYS 52 2HB LYS 52 -10.057 -5.038 2.565 409 HB3 LYS 52 3HB LYS 52 -8.862 -3.751 2.654 410 HG2 LYS 52 2HG LYS 52 -10.512 -2.147 1.840 411 HG3 LYS 52 3HG LYS 52 -11.714 -3.434 1.719 412 HD2 LYS 52 2HD LYS 52 -10.357 -2.515 4.264 413 HD3 LYS 52 3HD LYS 52 -12.002 -2.106 3.769 414 HE2 LYS 52 2HE LYS 52 -10.966 -4.893 4.326 415 HE3 LYS 52 3HE LYS 52 -11.962 -3.932 5.419 416 HZ1 LYS 52 3HZ LYS 52 -12.803 -4.787 2.702 417 HZ2 LYS 52 1HZ LYS 52 -13.752 -3.983 3.844 418 HZ3 LYS 52 2HZ LYS 52 -13.243 -5.568 4.135 419 H ASP 53 H ASP 53 -11.106 -3.026 -0.532 420 HA ASP 53 HA ASP 53 -13.082 -4.945 -1.056 421 HB2 ASP 53 2HB ASP 53 -13.552 -2.566 -1.192 422 HB3 ASP 53 3HB ASP 53 -12.411 -2.377 -2.519 423 H GLU 54 H GLU 54 -10.404 -3.799 -3.100 424 HA GLU 54 HA GLU 54 -10.854 -5.354 -5.371 425 HB2 GLU 54 2HB GLU 54 -8.546 -3.934 -4.185 426 HB3 GLU 54 3HB GLU 54 -8.120 -5.239 -5.282 427 HG2 GLU 54 2HG GLU 54 -10.013 -3.009 -6.001 428 HG3 GLU 54 3HG GLU 54 -8.280 -2.975 -6.328 429 H LEU 55 H LEU 55 -9.325 -6.209 -2.320 430 HA LEU 55 HA LEU 55 -8.440 -8.793 -3.272 431 HB2 LEU 55 2HB LEU 55 -8.488 -7.646 -0.477 432 HB3 LEU 55 3HB LEU 55 -7.695 -9.141 -0.949 433 HG LEU 55 HG LEU 55 -6.951 -6.365 -1.906 434 HD11 LEU 55 1HD1 LEU 55 -6.339 -6.770 0.422 435 HD12 LEU 55 2HD1 LEU 55 -4.912 -6.698 -0.612 436 HD13 LEU 55 3HD1 LEU 55 -5.511 -8.256 -0.044 437 HD21 LEU 55 3HD2 LEU 55 -6.566 -8.042 -3.645 438 HD22 LEU 55 1HD2 LEU 55 -5.663 -9.038 -2.500 439 HD23 LEU 55 2HD2 LEU 55 -5.039 -7.460 -2.983 440 H GLU 56 H GLU 56 -11.104 -7.562 -1.303 441 HA GLU 56 HA GLU 56 -12.076 -10.054 -0.400 442 HB2 GLU 56 2HB GLU 56 -13.455 -7.389 -0.770 443 HB3 GLU 56 3HB GLU 56 -14.235 -8.783 -0.033 444 HG2 GLU 56 2HG GLU 56 -11.719 -7.474 0.996 445 HG3 GLU 56 3HG GLU 56 -13.343 -7.172 1.610 446 H ALA 57 H ALA 57 -12.813 -8.157 -3.305 447 HA ALA 57 HA ALA 57 -14.897 -9.808 -4.280 448 HB1 ALA 57 3HB ALA 57 -12.969 -8.099 -5.860 449 HB2 ALA 57 1HB ALA 57 -14.470 -7.542 -5.119 450 HB3 ALA 57 2HB ALA 57 -14.519 -8.723 -6.427 451 H LYS 58 H LYS 58 -11.419 -10.104 -4.385 452 HA LYS 58 HA LYS 58 -11.462 -12.253 -6.355 453 HB2 LYS 58 2HB LYS 58 -9.186 -11.077 -4.737 454 HB3 LYS 58 3HB LYS 58 -9.008 -12.254 -6.033 455 HG2 LYS 58 2HG LYS 58 -9.743 -10.692 -7.667 456 HG3 LYS 58 3HG LYS 58 -10.241 -9.536 -6.430 457 HD2 LYS 58 2HD LYS 58 -7.912 -9.253 -5.738 458 HD3 LYS 58 3HD LYS 58 -7.397 -10.429 -6.952 459 HE2 LYS 58 2HE LYS 58 -7.090 -8.044 -7.628 460 HE3 LYS 58 3HE LYS 58 -8.083 -8.985 -8.734 461 HZ1 LYS 58 3HZ LYS 58 -9.163 -7.204 -6.628 462 HZ2 LYS 58 1HZ LYS 58 -10.046 -7.990 -7.831 463 HZ3 LYS 58 2HZ LYS 58 -8.971 -6.750 -8.243 464 H HIS 59 H HIS 59 -12.463 -14.039 -5.444 465 HA HIS 59 HA HIS 59 -12.116 -14.763 -2.704 466 HB2 HIS 59 2HB HIS 59 -14.149 -15.266 -4.115 467 HB3 HIS 59 3HB HIS 59 -13.207 -16.531 -4.898 468 HD1 HIS 59 HD1 HIS 59 -13.234 -18.768 -3.788 469 HD2 HIS 59 HD2 HIS 59 -14.447 -15.740 -1.214 470 HE1 HIS 59 HE1 HIS 59 -14.019 -19.928 -1.712 471 HE2 HIS 59 HE2 HIS 59 -14.609 -18.078 -0.118 472 H TRP 60 H TRP 60 -10.101 -15.247 -5.367 473 HA TRP 60 HA TRP 60 -8.927 -17.709 -4.386 474 HB2 TRP 60 2HB TRP 60 -7.313 -17.461 -6.231 475 HB3 TRP 60 3HB TRP 60 -8.975 -17.371 -6.790 476 HD1 TRP 60 HD1 TRP 60 -9.867 -14.797 -7.405 477 HE1 TRP 60 HE1 TRP 60 -8.546 -12.855 -8.465 478 HE3 TRP 60 HE3 TRP 60 -5.115 -16.402 -6.396 479 HZ2 TRP 60 HZ2 TRP 60 -5.855 -12.104 -8.820 480 HZ3 TRP 60 HZ3 TRP 60 -3.217 -15.012 -7.133 481 HH2 TRP 60 HH2 TRP 60 -3.583 -12.906 -8.322 482 H ILE 61 H ILE 61 -8.722 -14.528 -3.448 483 HA ILE 61 HA ILE 61 -5.980 -14.670 -2.457 484 HB ILE 61 HB ILE 61 -8.133 -12.574 -2.393 485 HG12 ILE 61 2HG1 ILE 61 -6.353 -11.130 -3.258 486 HG13 ILE 61 3HG1 ILE 61 -5.173 -12.417 -3.039 487 HG21 ILE 61 1HG2 ILE 61 -5.729 -12.551 -0.561 488 HG22 ILE 61 2HG2 ILE 61 -7.420 -12.660 -0.070 489 HG23 ILE 61 3HG2 ILE 61 -6.821 -11.192 -0.837 490 HD11 ILE 61 3HD1 ILE 61 -6.288 -13.740 -4.737 491 HD12 ILE 61 1HD1 ILE 61 -5.825 -12.159 -5.361 492 HD13 ILE 61 2HD1 ILE 61 -7.506 -12.480 -4.933 493 H ALA 62 H ALA 62 -5.405 -15.024 -0.308 494 HA ALA 62 HA ALA 62 -7.500 -16.218 1.376 495 HB1 ALA 62 3HB ALA 62 -4.499 -16.357 1.674 496 HB2 ALA 62 1HB ALA 62 -5.514 -17.589 0.925 497 HB3 ALA 62 2HB ALA 62 -5.685 -17.231 2.644 498 H GLU 63 H GLU 63 -7.477 -15.739 3.714 499 HA GLU 63 HA GLU 63 -7.544 -12.951 4.133 500 HB2 GLU 63 2HB GLU 63 -9.014 -14.463 5.350 501 HB3 GLU 63 3HB GLU 63 -7.631 -15.176 6.173 502 HG2 GLU 63 2HG GLU 63 -7.243 -13.268 7.449 503 HG3 GLU 63 3HG GLU 63 -8.194 -12.238 6.381 504 H ALA 64 H ALA 64 -5.206 -15.407 5.165 505 HA ALA 64 HA ALA 64 -3.559 -13.897 6.787 506 HB1 ALA 64 3HB ALA 64 -2.672 -16.030 4.842 507 HB2 ALA 64 1HB ALA 64 -3.330 -16.319 6.453 508 HB3 ALA 64 2HB ALA 64 -1.789 -15.483 6.266 509 H ASP 65 H ASP 65 -3.293 -14.220 3.217 510 HA ASP 65 HA ASP 65 -1.044 -12.438 3.146 511 HB2 ASP 65 2HB ASP 65 -1.575 -12.613 0.554 512 HB3 ASP 65 3HB ASP 65 -0.781 -13.905 1.440 513 H ARG 66 H ARG 66 -4.516 -12.044 2.423 514 HA ARG 66 HA ARG 66 -4.263 -9.426 1.377 515 HB2 ARG 66 2HB ARG 66 -6.607 -9.148 1.687 516 HB3 ARG 66 3HB ARG 66 -6.359 -10.832 1.257 517 HG2 ARG 66 2HG ARG 66 -6.669 -11.519 3.536 518 HG3 ARG 66 3HG ARG 66 -6.724 -9.847 4.083 519 HD2 ARG 66 2HD ARG 66 -8.780 -9.503 2.762 520 HD3 ARG 66 3HD ARG 66 -8.733 -11.198 2.275 521 HE ARG 66 HE ARG 66 -9.101 -11.788 4.598 522 HH11 ARG 66 1HH1 ARG 66 -9.763 -8.537 3.715 523 HH12 ARG 66 2HH1 ARG 66 -10.764 -8.242 5.090 524 HH21 ARG 66 1HH2 ARG 66 -10.426 -11.426 6.347 525 HH22 ARG 66 2HH2 ARG 66 -11.155 -9.874 6.551 526 H ILE 67 H ILE 67 -4.720 -10.580 4.715 527 HA ILE 67 HA ILE 67 -4.910 -8.038 5.932 528 HB ILE 67 HB ILE 67 -4.009 -10.700 7.059 529 HG12 ILE 67 2HG1 ILE 67 -6.350 -10.642 6.350 530 HG13 ILE 67 3HG1 ILE 67 -6.251 -10.712 8.106 531 HG21 ILE 67 1HG2 ILE 67 -4.600 -8.153 8.571 532 HG22 ILE 67 2HG2 ILE 67 -3.023 -8.924 8.397 533 HG23 ILE 67 3HG2 ILE 67 -4.307 -9.736 9.293 534 HD11 ILE 67 3HD1 ILE 67 -6.703 -8.311 8.216 535 HD12 ILE 67 1HD1 ILE 67 -7.986 -9.187 7.381 536 HD13 ILE 67 2HD1 ILE 67 -6.808 -8.254 6.456 537 H ASN 68 H ASN 68 -2.126 -10.125 5.238 538 HA ASN 68 HA ASN 68 -0.070 -8.720 6.423 539 HB2 ASN 68 2HB ASN 68 0.303 -10.837 5.303 540 HB3 ASN 68 3HB ASN 68 -0.114 -10.134 3.744 541 HD21 ASN 68 1HD2 ASN 68 1.848 -10.641 2.810 542 HD22 ASN 68 2HD2 ASN 68 3.318 -9.849 3.243 543 H VAL 69 H VAL 69 -1.205 -8.239 3.051 544 HA VAL 69 HA VAL 69 0.406 -5.933 2.650 545 HB VAL 69 HB VAL 69 -0.856 -5.585 0.569 546 HG11 VAL 69 1HG1 VAL 69 1.012 -7.151 0.595 547 HG12 VAL 69 2HG1 VAL 69 -0.241 -7.700 -0.518 548 HG13 VAL 69 3HG1 VAL 69 -0.069 -8.463 1.064 549 HG21 VAL 69 3HG2 VAL 69 -2.618 -7.173 -0.091 550 HG22 VAL 69 1HG2 VAL 69 -3.086 -6.220 1.318 551 HG23 VAL 69 2HG2 VAL 69 -2.566 -7.893 1.518 552 H LEU 70 H LEU 70 -2.940 -6.334 3.726 553 HA LEU 70 HA LEU 70 -3.691 -3.611 3.525 554 HB2 LEU 70 2HB LEU 70 -4.701 -5.839 5.287 555 HB3 LEU 70 3HB LEU 70 -5.414 -4.236 5.278 556 HG LEU 70 HG LEU 70 -5.281 -6.110 2.906 557 HD11 LEU 70 1HD1 LEU 70 -7.635 -5.281 4.611 558 HD12 LEU 70 2HD1 LEU 70 -6.854 -6.862 4.629 559 HD13 LEU 70 3HD1 LEU 70 -7.695 -6.314 3.181 560 HD21 LEU 70 3HD2 LEU 70 -6.564 -3.391 3.199 561 HD22 LEU 70 1HD2 LEU 70 -6.747 -4.463 1.808 562 HD23 LEU 70 2HD2 LEU 70 -5.166 -3.787 2.202 563 H ASN 71 H ASN 71 -2.200 -5.451 6.182 564 HA ASN 71 HA ASN 71 -2.227 -3.334 8.073 565 HB2 ASN 71 2HB ASN 71 -0.629 -5.883 7.854 566 HB3 ASN 71 3HB ASN 71 -0.323 -4.724 9.143 567 HD21 ASN 71 1HD2 ASN 71 -1.342 -7.466 9.248 568 HD22 ASN 71 2HD2 ASN 71 -2.853 -7.360 10.081 569 H GLN 72 H GLN 72 0.427 -4.551 5.983 570 HA GLN 72 HA GLN 72 2.294 -2.592 6.770 571 HB2 GLN 72 2HB GLN 72 3.598 -3.256 4.822 572 HB3 GLN 72 3HB GLN 72 2.943 -4.667 5.639 573 HG2 GLN 72 2HG GLN 72 1.114 -4.701 3.929 574 HG3 GLN 72 3HG GLN 72 1.980 -3.432 3.070 575 HE21 GLN 72 1HE2 GLN 72 3.507 -6.106 4.760 576 HE22 GLN 72 2HE2 GLN 72 4.133 -6.870 3.351 577 H ALA 73 H ALA 73 -0.157 -2.567 4.207 578 HA ALA 73 HA ALA 73 0.549 -0.076 3.061 579 HB1 ALA 73 3HB ALA 73 -2.180 -1.366 3.234 580 HB2 ALA 73 1HB ALA 73 -0.990 -1.623 1.958 581 HB3 ALA 73 2HB ALA 73 -1.733 -0.037 2.165 582 H THR 74 H THR 74 -1.773 -0.901 5.647 583 HA THR 74 HA THR 74 -2.638 1.669 6.321 584 HB THR 74 HB THR 74 -2.233 -0.744 8.112 585 HG1 THR 74 HG1 THR 74 -3.851 -0.969 6.492 586 HG21 THR 74 3HG2 THR 74 -3.721 0.376 9.725 587 HG22 THR 74 1HG2 THR 74 -3.706 1.827 8.725 588 HG23 THR 74 2HG2 THR 74 -2.219 1.273 9.498 589 H GLU 75 H GLU 75 0.186 -0.135 7.510 590 HA GLU 75 HA GLU 75 1.238 1.657 9.327 591 HB2 GLU 75 2HB GLU 75 2.702 -0.111 7.351 592 HB3 GLU 75 3HB GLU 75 3.468 0.695 8.712 593 HG2 GLU 75 2HG GLU 75 1.214 -1.279 9.008 594 HG3 GLU 75 3HG GLU 75 2.917 -1.724 9.050 595 H VAL 76 H VAL 76 1.937 1.532 5.822 596 HA VAL 76 HA VAL 76 3.598 3.807 5.731 597 HB VAL 76 HB VAL 76 1.896 2.644 3.510 598 HG11 VAL 76 1HG1 VAL 76 4.300 4.472 3.360 599 HG12 VAL 76 2HG1 VAL 76 2.637 4.899 2.960 600 HG13 VAL 76 3HG1 VAL 76 3.502 3.714 1.983 601 HG21 VAL 76 3HG2 VAL 76 3.397 0.978 4.454 602 HG22 VAL 76 1HG2 VAL 76 4.764 2.082 4.287 603 HG23 VAL 76 2HG2 VAL 76 3.953 1.458 2.850 604 H ILE 77 H ILE 77 0.101 3.497 5.037 605 HA ILE 77 HA ILE 77 -0.379 6.169 4.311 606 HB ILE 77 HB ILE 77 -2.253 4.170 5.600 607 HG12 ILE 77 2HG1 ILE 77 -1.854 4.983 2.702 608 HG13 ILE 77 3HG1 ILE 77 -1.339 3.462 3.423 609 HG21 ILE 77 1HG2 ILE 77 -3.105 6.423 5.950 610 HG22 ILE 77 2HG2 ILE 77 -4.086 5.586 4.748 611 HG23 ILE 77 3HG2 ILE 77 -2.903 6.789 4.237 612 HD11 ILE 77 3HD1 ILE 77 -4.180 4.402 3.091 613 HD12 ILE 77 1HD1 ILE 77 -3.682 2.889 3.850 614 HD13 ILE 77 2HD1 ILE 77 -3.362 3.164 2.138 615 H ASN 78 H ASN 78 -0.899 4.614 7.490 616 HA ASN 78 HA ASN 78 -1.583 6.874 8.967 617 HB2 ASN 78 2HB ASN 78 -0.084 4.384 9.829 618 HB3 ASN 78 3HB ASN 78 -0.755 5.571 10.945 619 HD21 ASN 78 1HD2 ASN 78 -1.976 3.776 11.795 620 HD22 ASN 78 2HD2 ASN 78 -3.432 3.280 11.004 621 H PHE 79 H PHE 79 1.617 5.598 8.143 622 HA PHE 79 HA PHE 79 3.173 7.383 9.686 623 HB2 PHE 79 2HB PHE 79 4.115 5.342 8.734 624 HB3 PHE 79 3HB PHE 79 3.830 5.934 7.103 625 HD1 PHE 79 HD2 PHE 79 5.666 6.832 10.228 626 HD2 PHE 79 HD1 PHE 79 5.557 6.985 5.969 627 HE1 PHE 79 HE2 PHE 79 7.919 7.819 10.203 628 HE2 PHE 79 HE1 PHE 79 7.808 7.971 5.946 629 HZ PHE 79 HZ PHE 79 8.990 8.391 8.062 630 H TRP 80 H TRP 80 2.107 7.563 6.281 631 HA TRP 80 HA TRP 80 3.269 10.010 5.592 632 HB2 TRP 80 2HB TRP 80 2.205 8.473 3.965 633 HB3 TRP 80 3HB TRP 80 0.626 8.871 4.632 634 HD1 TRP 80 HD1 TRP 80 3.427 10.363 2.478 635 HE1 TRP 80 HE1 TRP 80 2.485 12.366 1.169 636 HE3 TRP 80 HE3 TRP 80 -1.189 10.665 4.667 637 HZ2 TRP 80 HZ2 TRP 80 0.101 13.870 1.066 638 HZ3 TRP 80 HZ3 TRP 80 -2.739 12.416 3.899 639 HH2 TRP 80 HH2 TRP 80 -2.109 13.986 2.141 640 H GLN 81 H GLN 81 0.077 9.338 7.005 641 HA GLN 81 HA GLN 81 -0.774 12.024 7.211 642 HB2 GLN 81 2HB GLN 81 -2.265 10.043 7.363 643 HB3 GLN 81 3HB GLN 81 -1.573 9.659 8.931 644 HG2 GLN 81 2HG GLN 81 -2.425 11.773 9.826 645 HG3 GLN 81 3HG GLN 81 -3.113 12.162 8.248 646 HE21 GLN 81 1HE2 GLN 81 -5.215 12.232 9.009 647 HE22 GLN 81 2HE2 GLN 81 -6.072 10.821 9.512 648 H ASP 82 H ASP 82 1.120 9.960 9.351 649 HA ASP 82 HA ASP 82 1.229 11.703 11.577 650 HB2 ASP 82 2HB ASP 82 1.839 9.332 11.730 651 HB3 ASP 82 3HB ASP 82 3.214 9.605 10.665 652 H LEU 83 H LEU 83 3.141 11.490 8.617 653 HA LEU 83 HA LEU 83 5.116 13.384 9.328 654 HB2 LEU 83 2HB LEU 83 3.986 12.828 6.577 655 HB3 LEU 83 3HB LEU 83 5.513 13.618 6.931 656 HG LEU 83 HG LEU 83 4.815 10.726 7.460 657 HD11 LEU 83 1HD1 LEU 83 6.794 11.991 5.571 658 HD12 LEU 83 2HD1 LEU 83 5.285 11.191 5.130 659 HD13 LEU 83 3HD1 LEU 83 6.600 10.260 5.850 660 HD21 LEU 83 3HD2 LEU 83 7.347 12.230 8.129 661 HD22 LEU 83 1HD2 LEU 83 7.133 10.483 8.240 662 HD23 LEU 83 2HD2 LEU 83 6.192 11.551 9.278 663 H LYS 84 H LYS 84 1.788 13.724 8.383 664 HA LYS 84 HA LYS 84 1.971 16.506 7.667 665 HB2 LYS 84 2HB LYS 84 -0.387 14.684 8.142 666 HB3 LYS 84 3HB LYS 84 -0.554 16.375 7.689 667 HG2 LYS 84 2HG LYS 84 0.797 14.212 6.071 668 HG3 LYS 84 3HG LYS 84 -0.770 14.960 5.740 669 HD2 LYS 84 2HD LYS 84 0.336 17.135 5.434 670 HD3 LYS 84 3HD LYS 84 1.899 16.385 5.763 671 HE2 LYS 84 2HE LYS 84 1.603 14.946 3.785 672 HE3 LYS 84 3HE LYS 84 0.062 15.740 3.450 673 HZ1 LYS 84 3HZ LYS 84 2.713 17.079 3.518 674 HZ2 LYS 84 1HZ LYS 84 1.240 17.834 3.179 675 HZ3 LYS 84 2HZ LYS 84 1.854 16.671 2.121 676 H ASN 85 H ASN 85 0.630 14.788 10.548 677 HA ASN 85 HA ASN 85 -0.109 17.225 11.813 678 HB2 ASN 85 2HB ASN 85 -0.681 16.001 13.745 679 HB3 ASN 85 3HB ASN 85 -1.038 14.934 12.397 680 HD21 ASN 85 1HD2 ASN 85 1.595 14.024 11.912 681 HD22 ASN 85 2HD2 ASN 85 2.060 13.038 13.246 682 H GLN 86 H GLN 86 2.916 15.476 11.725 683 HA GLN 86 HA GLN 86 4.111 17.246 13.728 684 HB2 GLN 86 2HB GLN 86 5.280 14.967 12.118 685 HB3 GLN 86 3HB GLN 86 6.190 15.920 13.283 686 HG2 GLN 86 2HG GLN 86 4.624 15.188 15.051 687 HG3 GLN 86 3HG GLN 86 3.814 14.160 13.866 688 HE21 GLN 86 1HE2 GLN 86 4.881 12.318 13.106 689 HE22 GLN 86 2HE2 GLN 86 6.249 11.660 13.918 690 H ASN 87 H ASN 87 3.594 17.258 10.377 691 HA ASN 87 HA ASN 87 4.420 18.390 8.595 692 HB2 ASN 87 2HB ASN 87 5.176 20.313 10.802 693 HB3 ASN 87 3HB ASN 87 5.387 20.688 9.094 694 HD21 ASN 87 1HD2 ASN 87 3.077 20.139 11.635 695 HD22 ASN 87 2HD2 ASN 87 1.705 20.738 10.777 696 H LYS 88 H LYS 88 5.943 16.500 8.465 697 HA LYS 88 HA LYS 88 8.756 17.280 8.867 698 HB2 LYS 88 2HB LYS 88 7.506 14.587 8.291 699 HB3 LYS 88 3HB LYS 88 9.242 14.866 8.351 700 HG2 LYS 88 2HG LYS 88 9.026 15.593 10.696 701 HG3 LYS 88 3HG LYS 88 7.297 15.247 10.629 702 HD2 LYS 88 2HD LYS 88 7.744 12.898 10.221 703 HD3 LYS 88 3HD LYS 88 9.479 13.208 10.134 704 HE2 LYS 88 2HE LYS 88 7.743 13.621 12.576 705 HE3 LYS 88 3HE LYS 88 8.804 12.241 12.299 706 HZ1 LYS 88 3HZ LYS 88 9.907 13.803 13.705 707 HZ2 LYS 88 1HZ LYS 88 9.630 15.075 12.624 708 HZ3 LYS 88 2HZ LYS 88 10.683 13.817 12.205 709 H GLN 89 H GLN 89 6.658 15.859 6.346 710 HA GLN 89 HA GLN 89 6.821 15.756 4.081 711 HB2 GLN 89 2HB GLN 89 8.180 18.413 4.563 712 HB3 GLN 89 3HB GLN 89 7.743 17.824 2.965 713 HG2 GLN 89 2HG GLN 89 5.801 18.317 5.220 714 HG3 GLN 89 3HG GLN 89 6.106 19.418 3.878 715 HE21 GLN 89 1HE2 GLN 89 5.422 18.827 1.805 716 HE22 GLN 89 2HE2 GLN 89 4.220 17.619 1.551 717 H ILE 90 H ILE 90 8.489 13.995 4.912 718 HA ILE 90 HA ILE 90 11.209 14.500 3.999 719 HB ILE 90 HB ILE 90 11.669 12.184 4.781 720 HG12 ILE 90 2HG1 ILE 90 8.744 12.243 5.591 721 HG13 ILE 90 3HG1 ILE 90 9.475 11.174 4.398 722 HG21 ILE 90 1HG2 ILE 90 11.426 12.663 7.175 723 HG22 ILE 90 2HG2 ILE 90 10.289 13.958 6.801 724 HG23 ILE 90 3HG2 ILE 90 11.970 14.085 6.283 725 HD11 ILE 90 3HD1 ILE 90 10.042 11.180 7.356 726 HD12 ILE 90 1HD1 ILE 90 10.792 10.116 6.166 727 HD13 ILE 90 2HD1 ILE 90 9.060 10.008 6.479 728 H SER 91 H SER 91 12.280 12.868 2.585 729 HA SER 91 HA SER 91 10.743 12.586 0.148 730 HB2 SER 91 2HB SER 91 13.026 13.407 -0.012 731 HB3 SER 91 3HB SER 91 13.639 11.953 0.776 732 HG SER 91 HG SER 91 13.846 11.902 -1.519 733 H MET 92 H MET 92 11.070 10.560 -1.198 734 HA MET 92 HA MET 92 9.922 8.333 0.094 735 HB2 MET 92 2HB MET 92 10.393 7.130 -2.061 736 HB3 MET 92 3HB MET 92 9.515 8.640 -2.239 737 HG2 MET 92 2HG MET 92 11.128 8.505 -3.983 738 HG3 MET 92 3HG MET 92 11.646 9.751 -2.853 739 HE1 MET 92 3HE MET 92 11.929 5.840 -2.433 740 HE2 MET 92 1HE MET 92 13.540 5.547 -3.086 741 HE3 MET 92 2HE MET 92 12.245 6.092 -4.151 742 H ALA 93 H ALA 93 13.248 9.224 -0.437 743 HA ALA 93 HA ALA 93 14.589 6.829 0.032 744 HB1 ALA 93 3HB ALA 93 15.377 9.560 1.067 745 HB2 ALA 93 1HB ALA 93 15.673 8.975 -0.575 746 HB3 ALA 93 2HB ALA 93 16.450 8.183 0.795 747 H GLU 94 H GLU 94 13.453 9.222 2.383 748 HA GLU 94 HA GLU 94 14.202 7.828 4.717 749 HB2 GLU 94 2HB GLU 94 12.059 9.920 4.277 750 HB3 GLU 94 3HB GLU 94 12.677 9.423 5.849 751 HG2 GLU 94 2HG GLU 94 14.531 10.465 3.737 752 HG3 GLU 94 3HG GLU 94 13.607 11.570 4.744 753 H ALA 95 H ALA 95 11.278 7.768 2.745 754 HA ALA 95 HA ALA 95 9.724 6.093 4.424 755 HB1 ALA 95 3HB ALA 95 8.762 7.362 2.558 756 HB2 ALA 95 1HB ALA 95 8.389 5.643 2.424 757 HB3 ALA 95 2HB ALA 95 9.649 6.352 1.413 758 H GLN 96 H GLN 96 12.152 5.413 1.940 759 HA GLN 96 HA GLN 96 11.944 2.578 1.991 760 HB2 GLN 96 2HB GLN 96 14.160 4.462 1.182 761 HB3 GLN 96 3HB GLN 96 14.344 2.716 1.086 762 HG2 GLN 96 2HG GLN 96 12.093 4.179 -0.271 763 HG3 GLN 96 3HG GLN 96 13.659 3.914 -1.037 764 HE21 GLN 96 1HE2 GLN 96 10.810 2.348 0.239 765 HE22 GLN 96 2HE2 GLN 96 11.034 0.850 -0.586 766 H GLY 97 H GLY 97 13.960 4.876 3.802 767 HA2 GLY 97 2HA GLY 97 15.386 2.969 5.333 768 HA3 GLY 97 3HA GLY 97 15.120 4.649 5.775 769 H LYS 98 H LYS 98 12.151 4.207 5.603 770 HA LYS 98 HA LYS 98 11.771 3.242 8.317 771 HB2 LYS 98 2HB LYS 98 10.672 5.323 7.253 772 HB3 LYS 98 3HB LYS 98 9.600 4.187 6.445 773 HG2 LYS 98 2HG LYS 98 8.463 4.944 8.375 774 HG3 LYS 98 3HG LYS 98 8.994 3.296 8.724 775 HD2 LYS 98 2HD LYS 98 10.934 4.196 9.943 776 HD3 LYS 98 3HD LYS 98 10.379 5.835 9.607 777 HE2 LYS 98 2HE LYS 98 9.727 5.293 11.837 778 HE3 LYS 98 3HE LYS 98 8.271 5.284 10.845 779 HZ1 LYS 98 3HZ LYS 98 8.381 2.880 10.763 780 HZ2 LYS 98 1HZ LYS 98 8.357 3.406 12.369 781 HZ3 LYS 98 2HZ LYS 98 9.804 2.880 11.675 782 H PHE 99 H PHE 99 10.697 2.360 5.048 783 HA PHE 99 HA PHE 99 9.855 -0.288 6.053 784 HB2 PHE 99 2HB PHE 99 8.489 1.382 3.924 785 HB3 PHE 99 3HB PHE 99 8.063 -0.277 4.319 786 HD1 PHE 99 HD1 PHE 99 8.042 3.213 5.548 787 HD2 PHE 99 HD2 PHE 99 6.735 -0.791 6.233 788 HE1 PHE 99 HE1 PHE 99 6.447 4.018 7.239 789 HE2 PHE 99 HE2 PHE 99 5.158 0.013 7.933 790 HZ PHE 99 HZ PHE 99 5.008 2.421 8.434 791 HA PRO 100 HA PRO 100 13.213 -0.763 2.878 792 HB2 PRO 100 2HB PRO 100 14.129 -3.147 3.884 793 HB3 PRO 100 3HB PRO 100 14.650 -1.563 4.467 794 HG2 PRO 100 2HG PRO 100 12.572 -3.404 5.602 795 HG3 PRO 100 3HG PRO 100 13.839 -2.494 6.446 796 HD2 PRO 100 2HD PRO 100 11.300 -1.630 6.393 797 HD3 PRO 100 3HD PRO 100 12.663 -0.493 6.312 798 H GLU 101 H GLU 101 10.668 -3.029 3.810 799 HA GLU 101 HA GLU 101 11.179 -4.693 1.460 800 HB2 GLU 101 2HB GLU 101 9.222 -5.020 3.738 801 HB3 GLU 101 3HB GLU 101 9.354 -6.139 2.387 802 HG2 GLU 101 2HG GLU 101 11.711 -6.558 3.003 803 HG3 GLU 101 3HG GLU 101 11.512 -5.496 4.395 804 H VAL 102 H VAL 102 9.392 -1.934 2.057 805 HA VAL 102 HA VAL 102 7.260 -2.648 0.166 806 HB VAL 102 HB VAL 102 7.664 -0.072 1.713 807 HG11 VAL 102 1HG1 VAL 102 5.327 -1.002 0.032 808 HG12 VAL 102 2HG1 VAL 102 6.438 0.310 -0.361 809 HG13 VAL 102 3HG1 VAL 102 5.358 0.457 1.025 810 HG21 VAL 102 3HG2 VAL 102 5.740 -2.360 2.191 811 HG22 VAL 102 1HG2 VAL 102 5.783 -0.844 3.094 812 HG23 VAL 102 2HG2 VAL 102 7.145 -1.963 3.181 813 H VAL 103 H VAL 103 7.256 -2.008 -1.928 814 HA VAL 103 HA VAL 103 9.677 -0.833 -2.995 815 HB VAL 103 HB VAL 103 7.167 -1.745 -4.422 816 HG11 VAL 103 1HG1 VAL 103 9.896 -1.074 -5.539 817 HG12 VAL 103 2HG1 VAL 103 8.419 -0.140 -5.772 818 HG13 VAL 103 3HG1 VAL 103 8.552 -1.761 -6.452 819 HG21 VAL 103 3HG2 VAL 103 8.447 -3.760 -4.965 820 HG22 VAL 103 1HG2 VAL 103 8.280 -3.560 -3.221 821 HG23 VAL 103 2HG2 VAL 103 9.805 -3.161 -4.012 822 H PHE 104 H PHE 104 9.986 1.266 -3.452 823 HA PHE 104 HA PHE 104 7.622 3.001 -3.830 824 HB2 PHE 104 2HB PHE 104 10.243 3.558 -2.433 825 HB3 PHE 104 3HB PHE 104 9.227 4.864 -3.027 826 HD1 PHE 104 HD1 PHE 104 9.183 1.900 -0.772 827 HD2 PHE 104 HD2 PHE 104 7.489 5.694 -1.711 828 HE1 PHE 104 HE1 PHE 104 7.894 1.845 1.319 829 HE2 PHE 104 HE2 PHE 104 6.198 5.638 0.382 830 HZ PHE 104 HZ PHE 104 6.400 3.709 1.901 831 H SER 105 H SER 105 7.463 3.944 -5.758 832 HA SER 105 HA SER 105 9.770 4.105 -7.547 833 HB2 SER 105 2HB SER 105 6.877 4.888 -8.041 834 HB3 SER 105 3HB SER 105 8.147 4.794 -9.261 835 HG SER 105 HG SER 105 8.282 2.549 -8.848 836 H GLY 106 H GLY 106 10.959 5.943 -7.786 837 HA2 GLY 106 2HA GLY 106 9.824 8.441 -6.665 838 HA3 GLY 106 3HA GLY 106 11.461 7.922 -6.313 839 H SER 107 H SER 107 12.723 9.419 -7.216 840 HA SER 107 HA SER 107 11.977 10.609 -9.796 841 HB2 SER 107 2HB SER 107 12.421 12.147 -7.932 842 HB3 SER 107 3HB SER 107 14.045 11.487 -7.760 843 HG SER 107 HG SER 107 14.677 12.746 -9.308 844 H ASN 108 H ASN 108 14.111 8.266 -8.588 845 HA ASN 108 HA ASN 108 16.397 8.710 -10.193 846 HB2 ASN 108 2HB ASN 108 16.310 7.213 -8.191 847 HB3 ASN 108 3HB ASN 108 15.378 6.059 -9.141 848 HD21 ASN 108 1HD2 ASN 108 16.909 4.451 -9.033 849 HD22 ASN 108 2HD2 ASN 108 18.423 4.544 -9.859 850 H LEU 109 H LEU 109 13.615 6.520 -10.685 851 HA LEU 109 HA LEU 109 14.455 5.892 -13.394 852 HB2 LEU 109 2HB LEU 109 12.057 5.099 -11.740 853 HB3 LEU 109 3HB LEU 109 12.205 4.669 -13.433 854 HG LEU 109 HG LEU 109 14.293 3.420 -12.910 855 HD11 LEU 109 1HD1 LEU 109 14.859 2.909 -10.593 856 HD12 LEU 109 2HD1 LEU 109 13.595 4.004 -10.032 857 HD13 LEU 109 3HD1 LEU 109 14.985 4.638 -10.911 858 HD21 LEU 109 3HD2 LEU 109 13.199 1.523 -11.821 859 HD22 LEU 109 1HD2 LEU 109 12.144 2.260 -13.027 860 HD23 LEU 109 2HD2 LEU 109 11.873 2.569 -11.312 861 H GLU 110 H GLU 110 13.208 6.350 -15.287 862 HA GLU 110 HA GLU 110 12.335 8.999 -15.515 863 HB2 GLU 110 2HB GLU 110 11.724 6.678 -17.357 864 HB3 GLU 110 3HB GLU 110 11.531 8.379 -17.762 865 HG2 GLU 110 2HG GLU 110 13.998 8.655 -17.364 866 HG3 GLU 110 3HG GLU 110 14.097 6.900 -17.220 867 H HIS 111 H HIS 111 10.347 9.976 -15.634 868 HA HIS 111 HA HIS 111 7.948 8.395 -15.056 869 HB2 HIS 111 2HB HIS 111 7.416 10.073 -13.174 870 HB3 HIS 111 3HB HIS 111 8.610 8.826 -12.839 871 HD1 HIS 111 HD1 HIS 111 11.087 9.575 -12.602 872 HD2 HIS 111 HD2 HIS 111 8.408 12.704 -13.173 873 HE1 HIS 111 HE1 HIS 111 12.365 11.664 -12.057 874 HE2 HIS 111 HE2 HIS 111 10.755 13.547 -12.484 875 H HIS 112 H HIS 112 6.366 9.046 -16.349 876 HA HIS 112 HA HIS 112 5.113 10.257 -17.804 877 HB2 HIS 112 2HB HIS 112 5.962 12.502 -15.960 878 HB3 HIS 112 3HB HIS 112 4.755 12.692 -17.228 879 HD1 HIS 112 HD1 HIS 112 5.278 11.190 -13.851 880 HD2 HIS 112 HD2 HIS 112 2.266 11.489 -16.696 881 HE1 HIS 112 HE1 HIS 112 3.187 10.439 -12.699 882 HE2 HIS 112 HE2 HIS 112 1.359 10.810 -14.378 883 H HIS 113 H HIS 113 7.943 9.829 -18.424 884 HA HIS 113 HA HIS 113 8.891 12.246 -19.727 885 HB2 HIS 113 2HB HIS 113 10.410 10.682 -18.517 886 HB3 HIS 113 3HB HIS 113 10.081 9.458 -19.738 887 HD1 HIS 113 HD1 HIS 113 11.678 9.410 -21.640 888 HD2 HIS 113 HD2 HIS 113 11.668 13.099 -19.724 889 HE1 HIS 113 HE1 HIS 113 13.485 10.747 -22.744 890 HE2 HIS 113 HE2 HIS 113 13.557 12.912 -21.482 891 H HIS 114 H HIS 114 6.570 10.186 -20.651 892 HA HIS 114 HA HIS 114 7.340 10.308 -23.503 893 HB2 HIS 114 2HB HIS 114 5.744 8.155 -22.101 894 HB3 HIS 114 3HB HIS 114 5.942 8.267 -23.848 895 HD1 HIS 114 HD1 HIS 114 7.716 7.284 -20.731 896 HD2 HIS 114 HD2 HIS 114 8.522 7.555 -24.800 897 HE1 HIS 114 HE1 HIS 114 9.868 6.043 -21.071 898 HE2 HIS 114 HE2 HIS 114 10.383 6.288 -23.521 899 H HIS 115 H HIS 115 6.240 11.975 -24.320 900 HA HIS 115 HA HIS 115 3.319 12.111 -23.858 901 HB2 HIS 115 2HB HIS 115 4.462 14.062 -22.920 902 HB3 HIS 115 3HB HIS 115 5.258 14.366 -24.458 903 HD1 HIS 115 HD1 HIS 115 3.902 15.582 -26.270 904 HD2 HIS 115 HD2 HIS 115 1.730 14.794 -22.817 905 HE1 HIS 115 HE1 HIS 115 1.776 16.891 -26.504 906 HE2 HIS 115 HE2 HIS 115 0.550 16.525 -24.339 907 H HIS 116 H HIS 116 1.975 12.431 -25.650 908 HA HIS 116 HA HIS 116 3.176 11.891 -28.265 909 HB2 HIS 116 2HB HIS 116 1.216 10.569 -27.653 910 HB3 HIS 116 3HB HIS 116 0.271 12.033 -27.405 911 HD1 HIS 116 HD1 HIS 116 -0.289 13.447 -29.598 912 HD2 HIS 116 HD2 HIS 116 1.273 9.649 -30.259 913 HE1 HIS 116 HE1 HIS 116 -0.776 12.925 -32.007 914 HE2 HIS 116 HE2 HIS 116 0.111 10.600 -32.369 Start of MODEL 16 1 H1 MET 1 1H MET 1 10.717 -33.431 -3.471 2 H2 MET 1 2H MET 1 11.046 -31.851 -2.973 3 H3 MET 1 3H MET 1 11.718 -32.441 -4.404 4 HA MET 1 HA MET 1 8.835 -31.997 -3.898 5 HB2 MET 1 2HB MET 1 10.779 -30.494 -5.672 6 HB3 MET 1 3HB MET 1 9.044 -30.223 -5.631 7 HG2 MET 1 2HG MET 1 9.240 -29.555 -3.263 8 HG3 MET 1 3HG MET 1 10.990 -29.747 -3.385 9 HE1 MET 1 3HE MET 1 10.517 -25.840 -3.280 10 HE2 MET 1 1HE MET 1 11.320 -27.222 -2.534 11 HE3 MET 1 2HE MET 1 9.569 -27.048 -2.415 12 H ALA 2 H ALA 2 8.236 -34.077 -4.684 13 HA ALA 2 HA ALA 2 8.839 -34.711 -7.470 14 HB1 ALA 2 3HB ALA 2 7.439 -36.695 -7.107 15 HB2 ALA 2 1HB ALA 2 7.031 -36.110 -5.493 16 HB3 ALA 2 2HB ALA 2 8.695 -36.549 -5.877 17 H ALA 3 H ALA 3 6.120 -33.602 -5.507 18 HA ALA 3 HA ALA 3 4.755 -32.737 -7.985 19 HB1 ALA 3 3HB ALA 3 3.423 -34.287 -6.605 20 HB2 ALA 3 1HB ALA 3 2.685 -32.686 -6.696 21 HB3 ALA 3 2HB ALA 3 3.555 -33.175 -5.242 22 H SER 4 H SER 4 5.275 -30.645 -8.381 23 HA SER 4 HA SER 4 5.940 -28.876 -6.138 24 HB2 SER 4 2HB SER 4 6.853 -27.355 -7.862 25 HB3 SER 4 3HB SER 4 7.553 -28.969 -7.975 26 HG SER 4 HG SER 4 5.523 -27.836 -9.620 27 H THR 5 H THR 5 4.467 -27.540 -5.321 28 HA THR 5 HA THR 5 2.196 -26.659 -6.982 29 HB THR 5 HB THR 5 2.551 -26.309 -3.988 30 HG1 THR 5 HG1 THR 5 1.736 -28.253 -3.739 31 HG21 THR 5 3HG2 THR 5 0.115 -25.928 -4.013 32 HG22 THR 5 1HG2 THR 5 0.121 -26.052 -5.771 33 HG23 THR 5 2HG2 THR 5 0.974 -24.727 -4.977 34 H VAL 6 H VAL 6 2.077 -24.598 -7.712 35 HA VAL 6 HA VAL 6 4.213 -22.747 -7.226 36 HB VAL 6 HB VAL 6 3.060 -22.857 -9.406 37 HG11 VAL 6 1HG1 VAL 6 0.797 -23.300 -8.652 38 HG12 VAL 6 2HG1 VAL 6 0.829 -21.876 -9.690 39 HG13 VAL 6 3HG1 VAL 6 0.694 -21.688 -7.940 40 HG21 VAL 6 3HG2 VAL 6 4.260 -20.813 -8.787 41 HG22 VAL 6 1HG2 VAL 6 2.789 -20.158 -8.064 42 HG23 VAL 6 2HG2 VAL 6 2.864 -20.448 -9.803 43 H HIS 7 H HIS 7 4.189 -20.786 -6.076 44 HA HIS 7 HA HIS 7 1.815 -20.309 -4.374 45 HB2 HIS 7 2HB HIS 7 3.661 -21.286 -3.039 46 HB3 HIS 7 3HB HIS 7 4.708 -19.957 -3.530 47 HD1 HIS 7 HD1 HIS 7 4.293 -17.642 -2.415 48 HD2 HIS 7 HD2 HIS 7 1.760 -20.653 -1.078 49 HE1 HIS 7 HE1 HIS 7 3.148 -16.710 -0.387 50 HE2 HIS 7 HE2 HIS 7 1.490 -18.472 0.284 51 H THR 8 H THR 8 0.998 -18.684 -5.701 52 HA THR 8 HA THR 8 2.586 -16.480 -6.595 53 HB THR 8 HB THR 8 -0.433 -16.716 -6.419 54 HG1 THR 8 HG1 THR 8 1.385 -17.123 -8.589 55 HG21 THR 8 3HG2 THR 8 1.260 -14.754 -7.988 56 HG22 THR 8 1HG2 THR 8 0.302 -14.365 -6.559 57 HG23 THR 8 2HG2 THR 8 -0.498 -14.886 -8.042 58 H SER 9 H SER 9 3.607 -15.579 -4.813 59 HA SER 9 HA SER 9 2.174 -14.625 -2.516 60 HB2 SER 9 2HB SER 9 4.976 -13.986 -3.478 61 HB3 SER 9 3HB SER 9 4.319 -13.528 -1.909 62 HG SER 9 HG SER 9 5.627 -15.567 -2.133 63 H PHE 10 H PHE 10 2.559 -12.199 -1.867 64 HA PHE 10 HA PHE 10 1.828 -10.500 -4.170 65 HB2 PHE 10 2HB PHE 10 0.594 -10.401 -1.402 66 HB3 PHE 10 3HB PHE 10 0.179 -9.359 -2.762 67 HD1 PHE 10 HD1 PHE 10 -1.003 -10.285 -4.720 68 HD2 PHE 10 HD2 PHE 10 -0.250 -12.637 -1.251 69 HE1 PHE 10 HE1 PHE 10 -2.676 -11.926 -5.473 70 HE2 PHE 10 HE2 PHE 10 -1.918 -14.281 -1.998 71 HZ PHE 10 HZ PHE 10 -3.131 -13.932 -4.111 72 H ILE 11 H ILE 11 2.601 -8.406 -4.192 73 HA ILE 11 HA ILE 11 4.460 -7.640 -2.016 74 HB ILE 11 HB ILE 11 4.861 -7.030 -4.957 75 HG12 ILE 11 2HG1 ILE 11 6.242 -9.112 -3.231 76 HG13 ILE 11 3HG1 ILE 11 5.127 -9.443 -4.554 77 HG21 ILE 11 1HG2 ILE 11 5.842 -5.380 -3.434 78 HG22 ILE 11 2HG2 ILE 11 7.093 -6.299 -4.269 79 HG23 ILE 11 3HG2 ILE 11 6.705 -6.667 -2.589 80 HD11 ILE 11 3HD1 ILE 11 6.702 -8.461 -6.134 81 HD12 ILE 11 1HD1 ILE 11 7.436 -9.782 -5.226 82 HD13 ILE 11 2HD1 ILE 11 7.817 -8.112 -4.812 83 H LEU 12 H LEU 12 4.089 -5.663 -1.143 84 HA LEU 12 HA LEU 12 1.990 -3.999 -2.288 85 HB2 LEU 12 2HB LEU 12 1.956 -4.475 0.111 86 HB3 LEU 12 3HB LEU 12 3.534 -3.731 0.295 87 HG LEU 12 HG LEU 12 2.529 -1.554 -0.456 88 HD11 LEU 12 1HD1 LEU 12 0.612 -2.412 -1.677 89 HD12 LEU 12 2HD1 LEU 12 0.092 -1.316 -0.396 90 HD13 LEU 12 3HD1 LEU 12 -0.073 -3.061 -0.185 91 HD21 LEU 12 3HD2 LEU 12 2.881 -2.015 1.904 92 HD22 LEU 12 1HD2 LEU 12 1.307 -2.805 2.002 93 HD23 LEU 12 2HD2 LEU 12 1.408 -1.077 1.661 94 H LYS 13 H LYS 13 2.292 -2.178 -3.387 95 HA LYS 13 HA LYS 13 4.933 -0.858 -3.322 96 HB2 LYS 13 2HB LYS 13 2.934 -0.939 -5.594 97 HB3 LYS 13 3HB LYS 13 4.450 -0.046 -5.605 98 HG2 LYS 13 2HG LYS 13 5.683 -2.157 -5.381 99 HG3 LYS 13 3HG LYS 13 4.155 -3.039 -5.410 100 HD2 LYS 13 2HD LYS 13 5.220 -1.280 -7.626 101 HD3 LYS 13 3HD LYS 13 5.261 -3.045 -7.607 102 HE2 LYS 13 2HE LYS 13 2.721 -2.937 -7.359 103 HE3 LYS 13 3HE LYS 13 2.864 -1.230 -7.784 104 HZ1 LYS 13 3HZ LYS 13 3.906 -1.874 -9.864 105 HZ2 LYS 13 1HZ LYS 13 2.388 -2.601 -9.715 106 HZ3 LYS 13 2HZ LYS 13 3.784 -3.512 -9.447 107 H VAL 14 H VAL 14 5.017 1.349 -3.082 108 HA VAL 14 HA VAL 14 2.464 2.792 -2.750 109 HB VAL 14 HB VAL 14 4.939 3.133 -1.034 110 HG11 VAL 14 1HG1 VAL 14 3.851 5.275 -1.409 111 HG12 VAL 14 2HG1 VAL 14 3.572 4.742 0.248 112 HG13 VAL 14 3HG1 VAL 14 2.290 4.591 -0.954 113 HG21 VAL 14 3HG2 VAL 14 3.497 2.352 0.808 114 HG22 VAL 14 1HG2 VAL 14 3.701 1.123 -0.442 115 HG23 VAL 14 2HG2 VAL 14 2.201 2.047 -0.350 116 H LEU 15 H LEU 15 2.322 4.238 -4.342 117 HA LEU 15 HA LEU 15 4.654 5.425 -5.584 118 HB2 LEU 15 2HB LEU 15 2.333 4.771 -6.637 119 HB3 LEU 15 3HB LEU 15 1.827 6.344 -6.054 120 HG LEU 15 HG LEU 15 4.052 5.813 -8.045 121 HD11 LEU 15 1HD1 LEU 15 1.319 7.039 -8.420 122 HD12 LEU 15 2HD1 LEU 15 1.834 5.450 -8.983 123 HD13 LEU 15 3HD1 LEU 15 2.568 6.903 -9.658 124 HD21 LEU 15 3HD2 LEU 15 4.603 7.772 -6.727 125 HD22 LEU 15 1HD2 LEU 15 2.990 8.437 -6.990 126 HD23 LEU 15 2HD2 LEU 15 4.104 8.260 -8.347 127 H TRP 16 H TRP 16 5.707 6.922 -4.413 128 HA TRP 16 HA TRP 16 4.238 8.625 -2.535 129 HB2 TRP 16 2HB TRP 16 6.342 7.274 -1.933 130 HB3 TRP 16 3HB TRP 16 7.242 8.465 -2.862 131 HD1 TRP 16 HD1 TRP 16 7.427 10.950 -1.809 132 HE1 TRP 16 HE1 TRP 16 7.157 11.795 0.609 133 HE3 TRP 16 HE3 TRP 16 5.025 6.907 0.203 134 HZ2 TRP 16 HZ2 TRP 16 6.065 10.869 3.047 135 HZ3 TRP 16 HZ3 TRP 16 4.402 6.965 2.586 136 HH2 TRP 16 HH2 TRP 16 4.912 8.904 3.977 137 H LEU 17 H LEU 17 3.614 10.601 -3.179 138 HA LEU 17 HA LEU 17 5.093 11.927 -5.363 139 HB2 LEU 17 2HB LEU 17 2.241 12.257 -4.424 140 HB3 LEU 17 3HB LEU 17 2.991 13.266 -5.648 141 HG LEU 17 HG LEU 17 2.592 10.274 -5.883 142 HD11 LEU 17 1HD1 LEU 17 0.460 11.455 -5.925 143 HD12 LEU 17 2HD1 LEU 17 0.862 10.829 -7.523 144 HD13 LEU 17 3HD1 LEU 17 1.071 12.546 -7.169 145 HD21 LEU 17 3HD2 LEU 17 4.521 11.038 -7.143 146 HD22 LEU 17 1HD2 LEU 17 3.562 12.322 -7.882 147 HD23 LEU 17 2HD2 LEU 17 3.202 10.632 -8.240 148 H ASP 18 H ASP 18 4.570 14.441 -5.259 149 HA ASP 18 HA ASP 18 6.117 15.656 -3.351 150 HB2 ASP 18 2HB ASP 18 5.376 16.725 -5.428 151 HB3 ASP 18 3HB ASP 18 3.729 16.811 -4.816 152 H GLN 19 H GLN 19 2.541 15.796 -3.326 153 HA GLN 19 HA GLN 19 2.619 16.030 -0.384 154 HB2 GLN 19 2HB GLN 19 0.529 16.917 -2.382 155 HB3 GLN 19 3HB GLN 19 0.257 16.909 -0.644 156 HG2 GLN 19 2HG GLN 19 2.110 18.488 -0.354 157 HG3 GLN 19 3HG GLN 19 2.357 18.503 -2.101 158 HE21 GLN 19 1HE2 GLN 19 0.874 19.571 -3.411 159 HE22 GLN 19 2HE2 GLN 19 -0.281 20.686 -2.769 160 H ASN 20 H ASN 20 0.663 14.595 -2.992 161 HA ASN 20 HA ASN 20 -0.873 12.972 -1.198 162 HB2 ASN 20 2HB ASN 20 -0.703 12.908 -4.223 163 HB3 ASN 20 3HB ASN 20 -1.943 12.126 -3.247 164 HD21 ASN 20 1HD2 ASN 20 -0.716 15.150 -4.427 165 HD22 ASN 20 2HD2 ASN 20 -2.102 16.095 -4.029 166 H VAL 21 H VAL 21 -1.223 10.585 -1.897 167 HA VAL 21 HA VAL 21 1.250 9.166 -2.531 168 HB VAL 21 HB VAL 21 1.460 9.438 -0.141 169 HG11 VAL 21 1HG1 VAL 21 -1.325 8.292 0.081 170 HG12 VAL 21 2HG1 VAL 21 -0.856 9.964 0.391 171 HG13 VAL 21 3HG1 VAL 21 -0.256 8.674 1.433 172 HG21 VAL 21 3HG2 VAL 21 0.479 6.650 -0.767 173 HG22 VAL 21 1HG2 VAL 21 1.452 7.109 0.629 174 HG23 VAL 21 2HG2 VAL 21 2.120 7.253 -1.000 175 H ALA 22 H ALA 22 0.878 7.155 -3.450 176 HA ALA 22 HA ALA 22 -1.917 6.190 -3.526 177 HB1 ALA 22 3HB ALA 22 0.014 6.214 -5.847 178 HB2 ALA 22 1HB ALA 22 -1.371 7.288 -5.646 179 HB3 ALA 22 2HB ALA 22 -1.622 5.557 -5.864 180 H ILE 23 H ILE 23 -2.178 3.886 -3.864 181 HA ILE 23 HA ILE 23 0.243 2.290 -3.291 182 HB ILE 23 HB ILE 23 -1.167 0.804 -1.830 183 HG12 ILE 23 2HG1 ILE 23 -3.096 3.147 -1.940 184 HG13 ILE 23 3HG1 ILE 23 -3.386 1.551 -2.625 185 HG21 ILE 23 1HG2 ILE 23 0.429 2.383 -0.879 186 HG22 ILE 23 2HG2 ILE 23 -0.999 2.254 0.147 187 HG23 ILE 23 3HG2 ILE 23 -0.790 3.657 -0.904 188 HD11 ILE 23 3HD1 ILE 23 -3.301 0.588 -0.376 189 HD12 ILE 23 1HD1 ILE 23 -4.552 1.821 -0.526 190 HD13 ILE 23 2HD1 ILE 23 -3.037 2.198 0.293 191 H ALA 24 H ALA 24 0.290 0.165 -4.057 192 HA ALA 24 HA ALA 24 -1.914 -0.970 -5.556 193 HB1 ALA 24 3HB ALA 24 -0.944 0.559 -7.222 194 HB2 ALA 24 1HB ALA 24 -0.724 -1.128 -7.688 195 HB3 ALA 24 2HB ALA 24 0.628 -0.215 -7.017 196 H VAL 25 H VAL 25 -1.529 -3.227 -6.112 197 HA VAL 25 HA VAL 25 0.799 -4.393 -4.697 198 HB VAL 25 HB VAL 25 -2.000 -5.550 -4.858 199 HG11 VAL 25 1HG1 VAL 25 -0.302 -7.308 -4.845 200 HG12 VAL 25 2HG1 VAL 25 -1.174 -7.271 -3.314 201 HG13 VAL 25 3HG1 VAL 25 0.449 -6.592 -3.418 202 HG21 VAL 25 3HG2 VAL 25 -2.100 -5.147 -2.441 203 HG22 VAL 25 1HG2 VAL 25 -1.882 -3.642 -3.335 204 HG23 VAL 25 2HG2 VAL 25 -0.513 -4.377 -2.499 205 H ASP 26 H ASP 26 1.920 -6.039 -5.677 206 HA ASP 26 HA ASP 26 1.028 -6.900 -8.357 207 HB2 ASP 26 2HB ASP 26 3.777 -6.905 -7.098 208 HB3 ASP 26 3HB ASP 26 3.415 -7.695 -8.629 209 H GLN 27 H GLN 27 0.951 -9.057 -8.903 210 HA GLN 27 HA GLN 27 1.082 -11.005 -6.703 211 HB2 GLN 27 2HB GLN 27 -0.283 -12.454 -8.167 212 HB3 GLN 27 3HB GLN 27 -1.067 -10.912 -7.855 213 HG2 GLN 27 2HG GLN 27 -0.287 -10.106 -10.060 214 HG3 GLN 27 3HG GLN 27 0.398 -11.699 -10.372 215 HE21 GLN 27 1HE2 GLN 27 -1.008 -13.442 -10.732 216 HE22 GLN 27 2HE2 GLN 27 -2.664 -13.196 -11.158 217 H ILE 28 H ILE 28 2.678 -12.499 -6.676 218 HA ILE 28 HA ILE 28 4.666 -12.471 -8.768 219 HB ILE 28 HB ILE 28 4.547 -14.145 -6.247 220 HG12 ILE 28 2HG1 ILE 28 5.979 -11.557 -6.930 221 HG13 ILE 28 3HG1 ILE 28 4.713 -11.782 -5.729 222 HG21 ILE 28 1HG2 ILE 28 6.942 -14.571 -6.660 223 HG22 ILE 28 2HG2 ILE 28 6.819 -13.726 -8.203 224 HG23 ILE 28 3HG2 ILE 28 5.926 -15.224 -7.946 225 HD11 ILE 28 3HD1 ILE 28 6.245 -13.197 -4.423 226 HD12 ILE 28 1HD1 ILE 28 6.852 -11.559 -4.657 227 HD13 ILE 28 2HD1 ILE 28 7.510 -12.888 -5.611 228 H VAL 29 H VAL 29 3.891 -13.353 -10.583 229 HA VAL 29 HA VAL 29 2.418 -15.848 -10.642 230 HB VAL 29 HB VAL 29 3.477 -14.182 -12.951 231 HG11 VAL 29 1HG1 VAL 29 1.271 -16.247 -12.886 232 HG12 VAL 29 2HG1 VAL 29 2.866 -16.460 -13.607 233 HG13 VAL 29 3HG1 VAL 29 1.743 -15.280 -14.284 234 HG21 VAL 29 3HG2 VAL 29 0.778 -14.066 -11.594 235 HG22 VAL 29 1HG2 VAL 29 1.230 -13.183 -13.055 236 HG23 VAL 29 2HG2 VAL 29 2.035 -12.830 -11.525 237 H GLY 30 H GLY 30 3.151 -17.690 -12.027 238 HA2 GLY 30 2HA GLY 30 5.727 -18.630 -11.488 239 HA3 GLY 30 3HA GLY 30 4.688 -19.238 -12.766 240 H LYS 31 H LYS 31 4.844 -16.249 -13.764 241 HA LYS 31 HA LYS 31 7.279 -16.629 -15.370 242 HB2 LYS 31 2HB LYS 31 4.958 -14.729 -15.809 243 HB3 LYS 31 3HB LYS 31 6.296 -15.000 -16.919 244 HG2 LYS 31 2HG LYS 31 5.569 -17.342 -17.181 245 HG3 LYS 31 3HG LYS 31 4.200 -17.018 -16.117 246 HD2 LYS 31 2HD LYS 31 4.725 -15.586 -18.731 247 HD3 LYS 31 3HD LYS 31 3.642 -16.963 -18.550 248 HE2 LYS 31 2HE LYS 31 2.235 -15.087 -18.496 249 HE3 LYS 31 3HE LYS 31 2.406 -15.554 -16.808 250 HZ1 LYS 31 3HZ LYS 31 2.579 -13.160 -17.123 251 HZ2 LYS 31 1HZ LYS 31 3.908 -13.366 -18.148 252 HZ3 LYS 31 2HZ LYS 31 4.023 -13.789 -16.516 253 H GLY 32 H GLY 32 6.558 -15.141 -12.568 254 HA2 GLY 32 2HA GLY 32 8.470 -13.696 -11.755 255 HA3 GLY 32 3HA GLY 32 8.108 -12.687 -13.148 256 H THR 33 H THR 33 7.067 -10.889 -12.565 257 HA THR 33 HA THR 33 4.961 -11.070 -10.492 258 HB THR 33 HB THR 33 5.472 -8.676 -9.925 259 HG1 THR 33 HG1 THR 33 7.073 -7.653 -10.908 260 HG21 THR 33 3HG2 THR 33 7.442 -9.162 -8.557 261 HG22 THR 33 1HG2 THR 33 7.766 -10.604 -9.518 262 HG23 THR 33 2HG2 THR 33 6.313 -10.517 -8.524 263 H SER 34 H SER 34 3.066 -9.894 -10.824 264 HA SER 34 HA SER 34 2.794 -8.347 -13.307 265 HB2 SER 34 2HB SER 34 1.001 -10.678 -12.553 266 HB3 SER 34 3HB SER 34 0.671 -9.546 -13.862 267 HG SER 34 HG SER 34 3.182 -10.699 -13.936 268 HA PRO 35 HA PRO 35 0.601 -5.505 -10.679 269 HB2 PRO 35 2HB PRO 35 -1.054 -4.976 -13.110 270 HB3 PRO 35 3HB PRO 35 -0.175 -3.842 -12.075 271 HG2 PRO 35 2HG PRO 35 0.787 -4.494 -14.468 272 HG3 PRO 35 3HG PRO 35 1.878 -4.316 -13.079 273 HD2 PRO 35 2HD PRO 35 0.843 -6.818 -14.375 274 HD3 PRO 35 3HD PRO 35 2.462 -6.468 -13.730 275 H LEU 36 H LEU 36 -0.727 -6.375 -9.184 276 HA LEU 36 HA LEU 36 -3.021 -7.998 -9.914 277 HB2 LEU 36 2HB LEU 36 -1.662 -8.596 -7.968 278 HB3 LEU 36 3HB LEU 36 -2.017 -7.048 -7.224 279 HG LEU 36 HG LEU 36 -4.434 -7.707 -7.139 280 HD11 LEU 36 1HD1 LEU 36 -4.457 -9.352 -8.921 281 HD12 LEU 36 2HD1 LEU 36 -5.009 -10.074 -7.410 282 HD13 LEU 36 3HD1 LEU 36 -3.378 -10.399 -7.999 283 HD21 LEU 36 3HD2 LEU 36 -2.523 -9.553 -5.707 284 HD22 LEU 36 1HD2 LEU 36 -4.191 -9.219 -5.243 285 HD23 LEU 36 2HD2 LEU 36 -2.987 -7.933 -5.184 286 H THR 37 H THR 37 -2.484 -4.832 -8.352 287 HA THR 37 HA THR 37 -5.308 -4.137 -8.936 288 HB THR 37 HB THR 37 -5.380 -2.725 -6.944 289 HG1 THR 37 HG1 THR 37 -3.576 -2.144 -6.026 290 HG21 THR 37 3HG2 THR 37 -5.328 -4.460 -5.202 291 HG22 THR 37 1HG2 THR 37 -4.423 -5.519 -6.286 292 HG23 THR 37 2HG2 THR 37 -6.079 -5.059 -6.683 293 H SER 38 H SER 38 -5.689 -1.738 -9.041 294 HA SER 38 HA SER 38 -3.584 -0.416 -10.573 295 HB2 SER 38 2HB SER 38 -5.891 -0.305 -11.413 296 HB3 SER 38 3HB SER 38 -6.408 0.491 -9.928 297 HG SER 38 HG SER 38 -4.978 1.500 -12.099 298 H TYR 39 H TYR 39 -3.694 2.177 -10.085 299 HA TYR 39 HA TYR 39 -2.485 2.419 -7.462 300 HB2 TYR 39 2HB TYR 39 -2.811 4.398 -9.727 301 HB3 TYR 39 3HB TYR 39 -2.003 4.774 -8.210 302 HD1 TYR 39 HD2 TYR 39 0.058 3.398 -7.577 303 HD2 TYR 39 HD1 TYR 39 -1.623 3.357 -11.489 304 HE1 TYR 39 HE2 TYR 39 2.179 2.541 -8.477 305 HE2 TYR 39 HE1 TYR 39 0.494 2.495 -12.392 306 HH TYR 39 HH TYR 39 2.899 2.501 -11.774 307 H PHE 40 H PHE 40 -3.834 2.635 -5.770 308 HA PHE 40 HA PHE 40 -6.260 4.255 -5.977 309 HB2 PHE 40 2HB PHE 40 -5.156 2.764 -3.577 310 HB3 PHE 40 3HB PHE 40 -6.775 3.442 -3.739 311 HD1 PHE 40 HD1 PHE 40 -8.180 2.536 -5.754 312 HD2 PHE 40 HD2 PHE 40 -4.810 0.531 -4.092 313 HE1 PHE 40 HE1 PHE 40 -8.976 0.413 -6.707 314 HE2 PHE 40 HE2 PHE 40 -5.604 -1.592 -5.044 315 HZ PHE 40 HZ PHE 40 -7.685 -1.654 -6.351 316 H PHE 41 H PHE 41 -6.289 6.371 -5.496 317 HA PHE 41 HA PHE 41 -3.866 7.556 -4.377 318 HB2 PHE 41 2HB PHE 41 -6.205 8.756 -5.868 319 HB3 PHE 41 3HB PHE 41 -4.899 9.721 -5.187 320 HD1 PHE 41 HD1 PHE 41 -5.825 7.329 -7.804 321 HD2 PHE 41 HD2 PHE 41 -2.678 9.679 -6.153 322 HE1 PHE 41 HE1 PHE 41 -4.490 6.966 -9.838 323 HE2 PHE 41 HE2 PHE 41 -1.341 9.319 -8.186 324 HZ PHE 41 HZ PHE 41 -2.246 7.964 -10.032 325 H TRP 42 H TRP 42 -3.689 8.345 -2.442 326 HA TRP 42 HA TRP 42 -6.076 9.060 -0.857 327 HB2 TRP 42 2HB TRP 42 -5.216 7.095 0.131 328 HB3 TRP 42 3HB TRP 42 -3.549 7.580 -0.128 329 HD1 TRP 42 HD1 TRP 42 -2.383 8.966 1.759 330 HE1 TRP 42 HE1 TRP 42 -3.030 9.595 4.150 331 HE3 TRP 42 HE3 TRP 42 -7.357 7.779 1.585 332 HZ2 TRP 42 HZ2 TRP 42 -5.339 9.607 5.767 333 HZ3 TRP 42 HZ3 TRP 42 -8.716 8.131 3.611 334 HH2 TRP 42 HH2 TRP 42 -7.723 9.027 5.658 335 HA PRO 43 HA PRO 43 -6.628 10.151 0.796 336 HB2 PRO 43 2HB PRO 43 -7.495 12.454 1.796 337 HB3 PRO 43 3HB PRO 43 -6.067 11.663 2.476 338 HG2 PRO 43 2HG PRO 43 -6.233 14.011 0.632 339 HG3 PRO 43 3HG PRO 43 -5.124 13.724 1.984 340 HD2 PRO 43 2HD PRO 43 -4.580 13.265 -0.742 341 HD3 PRO 43 3HD PRO 43 -3.623 12.676 0.631 342 H ARG 44 H ARG 44 -6.282 11.325 -2.127 343 HA ARG 44 HA ARG 44 -8.592 12.775 -2.786 344 HB2 ARG 44 2HB ARG 44 -6.888 10.872 -4.395 345 HB3 ARG 44 3HB ARG 44 -8.250 11.731 -5.103 346 HG2 ARG 44 2HG ARG 44 -5.880 13.048 -3.777 347 HG3 ARG 44 3HG ARG 44 -6.092 12.845 -5.519 348 HD2 ARG 44 2HD ARG 44 -8.080 14.225 -5.480 349 HD3 ARG 44 3HD ARG 44 -8.007 14.338 -3.722 350 HE ARG 44 HE ARG 44 -5.656 15.384 -4.398 351 HH11 ARG 44 1HH1 ARG 44 -8.792 15.975 -5.713 352 HH12 ARG 44 2HH1 ARG 44 -8.445 17.632 -6.051 353 HH21 ARG 44 1HH2 ARG 44 -5.239 17.497 -4.836 354 HH22 ARG 44 2HH2 ARG 44 -6.454 18.475 -5.584 355 H ALA 45 H ALA 45 -8.178 9.413 -2.092 356 HA ALA 45 HA ALA 45 -11.036 9.087 -1.859 357 HB1 ALA 45 3HB ALA 45 -11.161 7.078 -3.260 358 HB2 ALA 45 1HB ALA 45 -9.480 7.304 -3.748 359 HB3 ALA 45 2HB ALA 45 -10.702 8.490 -4.210 360 H ASP 46 H ASP 46 -11.538 6.903 -0.854 361 HA ASP 46 HA ASP 46 -9.709 6.377 1.271 362 HB2 ASP 46 2HB ASP 46 -12.273 5.039 0.402 363 HB3 ASP 46 3HB ASP 46 -11.358 4.530 1.823 364 H ALA 47 H ALA 47 -7.830 5.860 0.040 365 HA ALA 47 HA ALA 47 -7.528 3.896 -1.874 366 HB1 ALA 47 3HB ALA 47 -5.820 5.558 -1.321 367 HB2 ALA 47 1HB ALA 47 -5.153 3.923 -1.345 368 HB3 ALA 47 2HB ALA 47 -5.490 4.717 0.194 369 H TRP 48 H TRP 48 -7.260 3.498 1.662 370 HA TRP 48 HA TRP 48 -6.422 0.785 1.548 371 HB2 TRP 48 2HB TRP 48 -6.074 2.273 3.522 372 HB3 TRP 48 3HB TRP 48 -7.804 2.201 3.845 373 HD1 TRP 48 HD1 TRP 48 -4.767 -0.205 3.645 374 HE1 TRP 48 HE1 TRP 48 -5.170 -2.132 5.296 375 HE3 TRP 48 HE3 TRP 48 -9.471 1.040 5.223 376 HZ2 TRP 48 HZ2 TRP 48 -7.208 -3.014 7.046 377 HZ3 TRP 48 HZ3 TRP 48 -10.574 -0.393 6.893 378 HH2 TRP 48 HH2 TRP 48 -9.464 -2.379 7.783 379 H GLN 49 H GLN 49 -9.608 2.299 2.008 380 HA GLN 49 HA GLN 49 -11.094 -0.071 2.318 381 HB2 GLN 49 2HB GLN 49 -12.011 2.146 2.825 382 HB3 GLN 49 3HB GLN 49 -11.960 2.573 1.118 383 HG2 GLN 49 2HG GLN 49 -14.212 1.998 1.791 384 HG3 GLN 49 3HG GLN 49 -13.597 0.823 0.630 385 HE21 GLN 49 1HE2 GLN 49 -12.731 0.906 4.043 386 HE22 GLN 49 2HE2 GLN 49 -13.506 -0.583 4.452 387 H GLN 50 H GLN 50 -10.229 1.746 -0.611 388 HA GLN 50 HA GLN 50 -11.595 0.079 -2.452 389 HB2 GLN 50 2HB GLN 50 -9.181 1.866 -2.863 390 HB3 GLN 50 3HB GLN 50 -10.115 1.129 -4.160 391 HG2 GLN 50 2HG GLN 50 -12.089 2.386 -3.471 392 HG3 GLN 50 3HG GLN 50 -11.182 3.098 -2.138 393 HE21 GLN 50 1HE2 GLN 50 -8.753 3.419 -3.742 394 HE22 GLN 50 2HE2 GLN 50 -9.058 4.742 -4.805 395 H LEU 51 H LEU 51 -8.255 0.028 -1.228 396 HA LEU 51 HA LEU 51 -7.298 -2.044 -2.882 397 HB2 LEU 51 2HB LEU 51 -5.808 -0.570 -1.630 398 HB3 LEU 51 3HB LEU 51 -6.403 -1.222 -0.114 399 HG LEU 51 HG LEU 51 -5.455 -3.435 -0.703 400 HD11 LEU 51 1HD1 LEU 51 -4.323 -1.997 -3.102 401 HD12 LEU 51 2HD1 LEU 51 -5.552 -3.262 -3.126 402 HD13 LEU 51 3HD1 LEU 51 -3.915 -3.635 -2.591 403 HD21 LEU 51 3HD2 LEU 51 -3.122 -2.859 -0.352 404 HD22 LEU 51 1HD2 LEU 51 -4.158 -1.836 0.641 405 HD23 LEU 51 2HD2 LEU 51 -3.434 -1.193 -0.834 406 H LYS 52 H LYS 52 -8.542 -2.197 0.483 407 HA LYS 52 HA LYS 52 -8.274 -4.975 0.772 408 HB2 LYS 52 2HB LYS 52 -9.706 -4.805 2.692 409 HB3 LYS 52 3HB LYS 52 -8.675 -3.385 2.651 410 HG2 LYS 52 2HG LYS 52 -10.563 -2.103 1.669 411 HG3 LYS 52 3HG LYS 52 -11.584 -3.528 1.870 412 HD2 LYS 52 2HD LYS 52 -10.176 -2.015 4.079 413 HD3 LYS 52 3HD LYS 52 -11.899 -1.949 3.713 414 HE2 LYS 52 2HE LYS 52 -10.419 -4.453 4.529 415 HE3 LYS 52 3HE LYS 52 -11.327 -3.427 5.637 416 HZ1 LYS 52 3HZ LYS 52 -12.456 -4.880 3.300 417 HZ2 LYS 52 1HZ LYS 52 -13.329 -3.883 4.356 418 HZ3 LYS 52 2HZ LYS 52 -12.636 -5.314 4.926 419 H ASP 53 H ASP 53 -10.968 -3.040 -0.484 420 HA ASP 53 HA ASP 53 -12.861 -5.096 -0.715 421 HB2 ASP 53 2HB ASP 53 -13.286 -2.624 -0.949 422 HB3 ASP 53 3HB ASP 53 -12.586 -2.711 -2.565 423 H GLU 54 H GLU 54 -10.346 -3.994 -2.969 424 HA GLU 54 HA GLU 54 -10.867 -5.760 -5.084 425 HB2 GLU 54 2HB GLU 54 -8.462 -4.270 -4.128 426 HB3 GLU 54 3HB GLU 54 -8.203 -5.562 -5.291 427 HG2 GLU 54 2HG GLU 54 -10.143 -3.302 -5.729 428 HG3 GLU 54 3HG GLU 54 -8.462 -3.267 -6.264 429 H LEU 55 H LEU 55 -8.659 -6.188 -2.313 430 HA LEU 55 HA LEU 55 -7.819 -8.794 -2.987 431 HB2 LEU 55 2HB LEU 55 -7.935 -7.444 -0.285 432 HB3 LEU 55 3HB LEU 55 -7.073 -8.935 -0.621 433 HG LEU 55 HG LEU 55 -6.458 -6.251 -1.880 434 HD11 LEU 55 1HD1 LEU 55 -5.896 -6.268 0.485 435 HD12 LEU 55 2HD1 LEU 55 -4.433 -6.302 -0.498 436 HD13 LEU 55 3HD1 LEU 55 -5.004 -7.778 0.281 437 HD21 LEU 55 3HD2 LEU 55 -5.904 -8.109 -3.362 438 HD22 LEU 55 1HD2 LEU 55 -5.004 -8.897 -2.065 439 HD23 LEU 55 2HD2 LEU 55 -4.440 -7.363 -2.729 440 H GLU 56 H GLU 56 -10.610 -7.667 -1.155 441 HA GLU 56 HA GLU 56 -11.424 -10.273 -0.267 442 HB2 GLU 56 2HB GLU 56 -12.974 -7.679 -0.473 443 HB3 GLU 56 3HB GLU 56 -13.561 -9.136 0.319 444 HG2 GLU 56 2HG GLU 56 -11.735 -8.995 1.946 445 HG3 GLU 56 3HG GLU 56 -11.122 -7.554 1.138 446 H ALA 57 H ALA 57 -12.136 -8.231 -3.054 447 HA ALA 57 HA ALA 57 -14.258 -9.837 -4.092 448 HB1 ALA 57 3HB ALA 57 -14.033 -8.495 -6.114 449 HB2 ALA 57 1HB ALA 57 -12.493 -7.856 -5.537 450 HB3 ALA 57 2HB ALA 57 -13.986 -7.468 -4.681 451 H LYS 58 H LYS 58 -10.776 -9.949 -4.377 452 HA LYS 58 HA LYS 58 -10.858 -11.947 -6.510 453 HB2 LYS 58 2HB LYS 58 -8.463 -10.916 -4.969 454 HB3 LYS 58 3HB LYS 58 -8.435 -11.831 -6.471 455 HG2 LYS 58 2HG LYS 58 -9.407 -9.979 -7.675 456 HG3 LYS 58 3HG LYS 58 -9.624 -9.077 -6.177 457 HD2 LYS 58 2HD LYS 58 -7.103 -9.215 -5.882 458 HD3 LYS 58 3HD LYS 58 -7.035 -9.811 -7.541 459 HE2 LYS 58 2HE LYS 58 -8.148 -7.147 -6.639 460 HE3 LYS 58 3HE LYS 58 -6.609 -7.409 -7.455 461 HZ1 LYS 58 3HZ LYS 58 -8.351 -6.637 -8.961 462 HZ2 LYS 58 1HZ LYS 58 -9.274 -8.013 -8.618 463 HZ3 LYS 58 2HZ LYS 58 -7.786 -8.170 -9.401 464 H HIS 59 H HIS 59 -11.768 -13.790 -5.629 465 HA HIS 59 HA HIS 59 -11.353 -14.589 -2.937 466 HB2 HIS 59 2HB HIS 59 -12.675 -15.959 -5.274 467 HB3 HIS 59 3HB HIS 59 -12.601 -16.684 -3.671 468 HD1 HIS 59 HD1 HIS 59 -14.876 -16.461 -2.722 469 HD2 HIS 59 HD2 HIS 59 -13.657 -12.984 -4.644 470 HE1 HIS 59 HE1 HIS 59 -16.702 -14.787 -2.314 471 HE2 HIS 59 HE2 HIS 59 -15.990 -12.725 -3.563 472 H TRP 60 H TRP 60 -9.299 -15.104 -5.605 473 HA TRP 60 HA TRP 60 -8.210 -17.566 -4.513 474 HB2 TRP 60 2HB TRP 60 -6.590 -17.495 -6.320 475 HB3 TRP 60 3HB TRP 60 -8.211 -17.243 -6.943 476 HD1 TRP 60 HD1 TRP 60 -8.806 -14.685 -7.761 477 HE1 TRP 60 HE1 TRP 60 -7.256 -12.881 -8.752 478 HE3 TRP 60 HE3 TRP 60 -4.300 -16.547 -6.215 479 HZ2 TRP 60 HZ2 TRP 60 -4.489 -12.321 -8.856 480 HZ3 TRP 60 HZ3 TRP 60 -2.251 -15.318 -6.798 481 HH2 TRP 60 HH2 TRP 60 -2.346 -13.248 -8.092 482 H ILE 61 H ILE 61 -7.851 -14.272 -3.861 483 HA ILE 61 HA ILE 61 -5.209 -14.412 -2.699 484 HB ILE 61 HB ILE 61 -7.443 -12.386 -2.572 485 HG12 ILE 61 2HG1 ILE 61 -5.779 -10.877 -3.541 486 HG13 ILE 61 3HG1 ILE 61 -4.546 -12.124 -3.424 487 HG21 ILE 61 1HG2 ILE 61 -4.928 -12.306 -0.904 488 HG22 ILE 61 2HG2 ILE 61 -6.581 -12.457 -0.308 489 HG23 ILE 61 3HG2 ILE 61 -6.065 -10.970 -1.104 490 HD11 ILE 61 3HD1 ILE 61 -5.401 -11.831 -5.692 491 HD12 ILE 61 1HD1 ILE 61 -7.011 -12.282 -5.136 492 HD13 ILE 61 2HD1 ILE 61 -5.696 -13.456 -5.075 493 H ALA 62 H ALA 62 -4.684 -15.012 -0.614 494 HA ALA 62 HA ALA 62 -6.771 -16.390 0.872 495 HB1 ALA 62 3HB ALA 62 -4.573 -17.445 0.538 496 HB2 ALA 62 1HB ALA 62 -4.972 -17.258 2.246 497 HB3 ALA 62 2HB ALA 62 -3.825 -16.158 1.484 498 H GLU 63 H GLU 63 -6.767 -16.161 3.312 499 HA GLU 63 HA GLU 63 -7.388 -13.459 3.977 500 HB2 GLU 63 2HB GLU 63 -8.625 -15.337 4.930 501 HB3 GLU 63 3HB GLU 63 -7.170 -15.917 5.729 502 HG2 GLU 63 2HG GLU 63 -7.110 -13.934 7.126 503 HG3 GLU 63 3HG GLU 63 -8.513 -13.275 6.288 504 H ALA 64 H ALA 64 -4.748 -15.653 4.897 505 HA ALA 64 HA ALA 64 -3.519 -14.039 6.815 506 HB1 ALA 64 3HB ALA 64 -2.186 -16.015 4.963 507 HB2 ALA 64 1HB ALA 64 -2.996 -16.411 6.479 508 HB3 ALA 64 2HB ALA 64 -1.539 -15.416 6.491 509 H ASP 65 H ASP 65 -2.761 -14.228 3.304 510 HA ASP 65 HA ASP 65 -0.711 -12.255 3.525 511 HB2 ASP 65 2HB ASP 65 -1.011 -12.261 0.903 512 HB3 ASP 65 3HB ASP 65 -0.238 -13.598 1.743 513 H ARG 66 H ARG 66 -4.089 -12.085 2.327 514 HA ARG 66 HA ARG 66 -4.021 -9.417 1.491 515 HB2 ARG 66 2HB ARG 66 -6.414 -9.373 1.641 516 HB3 ARG 66 3HB ARG 66 -5.942 -10.978 1.110 517 HG2 ARG 66 2HG ARG 66 -6.335 -11.876 3.320 518 HG3 ARG 66 3HG ARG 66 -6.683 -10.264 3.945 519 HD2 ARG 66 2HD ARG 66 -8.751 -11.447 3.569 520 HD3 ARG 66 3HD ARG 66 -8.617 -10.120 2.415 521 HE ARG 66 HE ARG 66 -7.608 -12.364 1.147 522 HH11 ARG 66 1HH1 ARG 66 -10.604 -11.432 2.572 523 HH12 ARG 66 2HH1 ARG 66 -11.550 -12.368 1.467 524 HH21 ARG 66 1HH2 ARG 66 -8.854 -13.566 -0.275 525 HH22 ARG 66 2HH2 ARG 66 -10.577 -13.533 -0.131 526 H ILE 67 H ILE 67 -4.698 -10.710 4.749 527 HA ILE 67 HA ILE 67 -5.238 -8.238 5.994 528 HB ILE 67 HB ILE 67 -4.142 -10.812 7.159 529 HG12 ILE 67 2HG1 ILE 67 -6.413 -10.974 6.222 530 HG13 ILE 67 3HG1 ILE 67 -6.446 -11.126 7.975 531 HG21 ILE 67 1HG2 ILE 67 -5.165 -8.385 8.647 532 HG22 ILE 67 2HG2 ILE 67 -3.494 -8.948 8.601 533 HG23 ILE 67 3HG2 ILE 67 -4.734 -9.937 9.370 534 HD11 ILE 67 3HD1 ILE 67 -7.167 -8.785 8.145 535 HD12 ILE 67 1HD1 ILE 67 -8.284 -9.765 7.194 536 HD13 ILE 67 2HD1 ILE 67 -7.166 -8.669 6.385 537 H ASN 68 H ASN 68 -2.187 -10.072 5.734 538 HA ASN 68 HA ASN 68 -0.481 -8.423 7.149 539 HB2 ASN 68 2HB ASN 68 0.272 -10.551 6.264 540 HB3 ASN 68 3HB ASN 68 0.062 -9.983 4.610 541 HD21 ASN 68 1HD2 ASN 68 2.148 -10.164 3.943 542 HD22 ASN 68 2HD2 ASN 68 3.450 -9.237 4.595 543 H VAL 69 H VAL 69 -1.026 -8.254 3.606 544 HA VAL 69 HA VAL 69 0.541 -5.948 3.227 545 HB VAL 69 HB VAL 69 -0.499 -5.751 1.009 546 HG11 VAL 69 1HG1 VAL 69 1.333 -7.330 1.346 547 HG12 VAL 69 2HG1 VAL 69 0.194 -7.939 0.145 548 HG13 VAL 69 3HG1 VAL 69 0.180 -8.593 1.783 549 HG21 VAL 69 3HG2 VAL 69 -2.215 -7.354 0.290 550 HG22 VAL 69 1HG2 VAL 69 -2.801 -6.320 1.594 551 HG23 VAL 69 2HG2 VAL 69 -2.318 -7.981 1.937 552 H LEU 70 H LEU 70 -2.867 -6.291 4.051 553 HA LEU 70 HA LEU 70 -3.561 -3.559 3.652 554 HB2 LEU 70 2HB LEU 70 -4.805 -5.720 5.348 555 HB3 LEU 70 3HB LEU 70 -5.483 -4.108 5.210 556 HG LEU 70 HG LEU 70 -5.104 -6.048 2.921 557 HD11 LEU 70 1HD1 LEU 70 -7.612 -5.171 4.353 558 HD12 LEU 70 2HD1 LEU 70 -6.868 -6.767 4.436 559 HD13 LEU 70 3HD1 LEU 70 -7.547 -6.191 2.913 560 HD21 LEU 70 3HD2 LEU 70 -6.383 -3.312 2.994 561 HD22 LEU 70 1HD2 LEU 70 -6.406 -4.421 1.620 562 HD23 LEU 70 2HD2 LEU 70 -4.878 -3.745 2.180 563 H ASN 71 H ASN 71 -2.294 -5.339 6.444 564 HA ASN 71 HA ASN 71 -2.557 -3.217 8.316 565 HB2 ASN 71 2HB ASN 71 -0.675 -5.589 8.298 566 HB3 ASN 71 3HB ASN 71 -0.896 -4.503 9.668 567 HD21 ASN 71 1HD2 ASN 71 -1.380 -7.317 9.616 568 HD22 ASN 71 2HD2 ASN 71 -3.057 -7.544 9.960 569 H GLN 72 H GLN 72 0.294 -4.367 6.477 570 HA GLN 72 HA GLN 72 2.031 -2.329 7.355 571 HB2 GLN 72 2HB GLN 72 3.484 -2.987 5.486 572 HB3 GLN 72 3HB GLN 72 2.867 -4.389 6.348 573 HG2 GLN 72 2HG GLN 72 1.158 -4.670 4.577 574 HG3 GLN 72 3HG GLN 72 1.899 -3.337 3.695 575 HE21 GLN 72 1HE2 GLN 72 3.669 -5.780 5.494 576 HE22 GLN 72 2HE2 GLN 72 4.398 -6.523 4.118 577 H ALA 73 H ALA 73 -0.200 -2.457 4.601 578 HA ALA 73 HA ALA 73 0.491 -0.012 3.389 579 HB1 ALA 73 3HB ALA 73 -0.988 -1.627 2.314 580 HB2 ALA 73 1HB ALA 73 -1.766 -0.048 2.421 581 HB3 ALA 73 2HB ALA 73 -2.224 -1.337 3.537 582 H THR 74 H THR 74 -1.964 -0.705 5.892 583 HA THR 74 HA THR 74 -2.894 1.885 6.326 584 HB THR 74 HB THR 74 -2.553 -0.311 8.395 585 HG1 THR 74 HG1 THR 74 -4.003 -1.147 7.049 586 HG21 THR 74 3HG2 THR 74 -4.331 0.847 9.640 587 HG22 THR 74 1HG2 THR 74 -4.324 2.146 8.446 588 HG23 THR 74 2HG2 THR 74 -2.906 1.872 9.460 589 H GLU 75 H GLU 75 -0.088 0.238 7.758 590 HA GLU 75 HA GLU 75 0.714 2.244 9.541 591 HB2 GLU 75 2HB GLU 75 2.365 0.210 8.026 592 HB3 GLU 75 3HB GLU 75 2.990 1.205 9.336 593 HG2 GLU 75 2HG GLU 75 1.391 0.205 10.879 594 HG3 GLU 75 3HG GLU 75 0.726 -0.770 9.571 595 H VAL 76 H VAL 76 1.631 1.751 6.122 596 HA VAL 76 HA VAL 76 3.363 3.969 5.899 597 HB VAL 76 HB VAL 76 1.658 2.716 3.725 598 HG11 VAL 76 1HG1 VAL 76 4.121 4.460 3.502 599 HG12 VAL 76 2HG1 VAL 76 2.476 4.920 3.066 600 HG13 VAL 76 3HG1 VAL 76 3.304 3.657 2.159 601 HG21 VAL 76 3HG2 VAL 76 3.667 1.416 3.172 602 HG22 VAL 76 1HG2 VAL 76 3.112 1.079 4.812 603 HG23 VAL 76 2HG2 VAL 76 4.507 2.124 4.553 604 H ILE 77 H ILE 77 -0.138 3.683 5.344 605 HA ILE 77 HA ILE 77 -0.587 6.303 4.397 606 HB ILE 77 HB ILE 77 -2.474 4.437 5.856 607 HG12 ILE 77 2HG1 ILE 77 -2.128 5.009 2.891 608 HG13 ILE 77 3HG1 ILE 77 -1.581 3.555 3.721 609 HG21 ILE 77 1HG2 ILE 77 -4.293 5.807 4.914 610 HG22 ILE 77 2HG2 ILE 77 -3.099 6.942 4.282 611 HG23 ILE 77 3HG2 ILE 77 -3.282 6.731 6.024 612 HD11 ILE 77 3HD1 ILE 77 -3.649 3.178 2.496 613 HD12 ILE 77 1HD1 ILE 77 -4.444 4.442 3.434 614 HD13 ILE 77 2HD1 ILE 77 -3.889 2.970 4.231 615 H ASN 78 H ASN 78 -0.916 4.975 7.703 616 HA ASN 78 HA ASN 78 -1.596 7.404 8.962 617 HB2 ASN 78 2HB ASN 78 -0.218 4.957 10.092 618 HB3 ASN 78 3HB ASN 78 -0.825 6.292 11.067 619 HD21 ASN 78 1HD2 ASN 78 -1.603 3.567 11.220 620 HD22 ASN 78 2HD2 ASN 78 -3.293 3.498 10.860 621 H PHE 79 H PHE 79 1.534 5.916 8.289 622 HA PHE 79 HA PHE 79 3.191 7.745 9.635 623 HB2 PHE 79 2HB PHE 79 3.982 5.589 8.767 624 HB3 PHE 79 3HB PHE 79 3.721 6.139 7.117 625 HD1 PHE 79 HD2 PHE 79 5.554 7.249 10.190 626 HD2 PHE 79 HD1 PHE 79 5.582 6.821 5.947 627 HE1 PHE 79 HE2 PHE 79 7.867 8.083 10.119 628 HE2 PHE 79 HE1 PHE 79 7.892 7.656 5.876 629 HZ PHE 79 HZ PHE 79 9.038 8.288 7.961 630 H TRP 80 H TRP 80 2.118 7.708 6.233 631 HA TRP 80 HA TRP 80 3.287 10.040 5.304 632 HB2 TRP 80 2HB TRP 80 2.113 8.522 3.822 633 HB3 TRP 80 3HB TRP 80 0.585 8.846 4.631 634 HD1 TRP 80 HD1 TRP 80 3.045 10.409 2.142 635 HE1 TRP 80 HE1 TRP 80 1.844 12.304 0.882 636 HE3 TRP 80 HE3 TRP 80 -1.304 10.553 4.835 637 HZ2 TRP 80 HZ2 TRP 80 -0.606 13.681 1.010 638 HZ3 TRP 80 HZ3 TRP 80 -3.025 12.195 4.198 639 HH2 TRP 80 HH2 TRP 80 -2.681 13.726 2.326 640 H GLN 81 H GLN 81 0.114 9.701 6.892 641 HA GLN 81 HA GLN 81 -0.507 12.473 6.856 642 HB2 GLN 81 2HB GLN 81 -2.242 10.761 7.089 643 HB3 GLN 81 3HB GLN 81 -1.577 10.269 8.640 644 HG2 GLN 81 2HG GLN 81 -2.095 12.498 9.550 645 HG3 GLN 81 3HG GLN 81 -2.810 12.946 8.000 646 HE21 GLN 81 1HE2 GLN 81 -4.779 12.010 7.394 647 HE22 GLN 81 2HE2 GLN 81 -5.805 11.225 8.535 648 H ASP 82 H ASP 82 1.011 10.391 9.291 649 HA ASP 82 HA ASP 82 1.039 12.240 11.408 650 HB2 ASP 82 2HB ASP 82 1.530 9.740 11.507 651 HB3 ASP 82 3HB ASP 82 3.146 10.126 10.930 652 H LEU 83 H LEU 83 3.297 11.705 8.734 653 HA LEU 83 HA LEU 83 5.261 13.579 9.545 654 HB2 LEU 83 2HB LEU 83 4.493 12.726 6.747 655 HB3 LEU 83 3HB LEU 83 5.968 13.571 7.187 656 HG LEU 83 HG LEU 83 5.193 10.763 7.990 657 HD11 LEU 83 1HD1 LEU 83 7.137 10.121 6.651 658 HD12 LEU 83 2HD1 LEU 83 7.374 11.807 6.190 659 HD13 LEU 83 3HD1 LEU 83 5.918 10.948 5.684 660 HD21 LEU 83 3HD2 LEU 83 7.630 12.384 8.744 661 HD22 LEU 83 1HD2 LEU 83 7.430 10.652 9.030 662 HD23 LEU 83 2HD2 LEU 83 6.363 11.804 9.831 663 H LYS 84 H LYS 84 2.322 13.894 7.584 664 HA LYS 84 HA LYS 84 2.625 16.602 6.857 665 HB2 LYS 84 2HB LYS 84 0.125 14.937 7.238 666 HB3 LYS 84 3HB LYS 84 0.125 16.554 6.547 667 HG2 LYS 84 2HG LYS 84 1.628 14.200 5.405 668 HG3 LYS 84 3HG LYS 84 0.045 14.753 4.852 669 HD2 LYS 84 2HD LYS 84 1.054 16.963 4.316 670 HD3 LYS 84 3HD LYS 84 2.634 16.320 4.770 671 HE2 LYS 84 2HE LYS 84 0.880 15.217 2.568 672 HE3 LYS 84 3HE LYS 84 2.241 16.307 2.322 673 HZ1 LYS 84 3HZ LYS 84 2.884 14.029 1.919 674 HZ2 LYS 84 1HZ LYS 84 2.387 13.571 3.471 675 HZ3 LYS 84 2HZ LYS 84 3.698 14.619 3.277 676 H ASN 85 H ASN 85 1.421 15.104 9.801 677 HA ASN 85 HA ASN 85 0.441 17.488 11.024 678 HB2 ASN 85 2HB ASN 85 1.490 14.950 12.314 679 HB3 ASN 85 3HB ASN 85 0.573 16.207 13.138 680 HD21 ASN 85 1HD2 ASN 85 -0.019 13.372 12.740 681 HD22 ASN 85 2HD2 ASN 85 -1.559 13.318 11.964 682 H GLN 86 H GLN 86 3.559 15.826 11.065 683 HA GLN 86 HA GLN 86 4.801 17.822 12.780 684 HB2 GLN 86 2HB GLN 86 5.975 15.433 11.339 685 HB3 GLN 86 3HB GLN 86 6.820 16.425 12.520 686 HG2 GLN 86 2HG GLN 86 5.367 15.693 14.276 687 HG3 GLN 86 3HG GLN 86 4.319 14.860 13.128 688 HE21 GLN 86 1HE2 GLN 86 4.990 12.906 12.253 689 HE22 GLN 86 2HE2 GLN 86 6.300 12.001 12.916 690 H ASN 87 H ASN 87 4.010 17.821 9.593 691 HA ASN 87 HA ASN 87 4.669 18.925 7.724 692 HB2 ASN 87 2HB ASN 87 6.306 20.532 9.703 693 HB3 ASN 87 3HB ASN 87 6.019 20.993 8.028 694 HD21 ASN 87 1HD2 ASN 87 4.986 22.893 8.635 695 HD22 ASN 87 2HD2 ASN 87 3.403 22.898 9.317 696 H LYS 88 H LYS 88 6.322 16.606 8.771 697 HA LYS 88 HA LYS 88 9.051 17.156 8.090 698 HB2 LYS 88 2HB LYS 88 7.583 14.587 8.671 699 HB3 LYS 88 3HB LYS 88 9.292 14.628 8.255 700 HG2 LYS 88 2HG LYS 88 9.698 16.095 10.201 701 HG3 LYS 88 3HG LYS 88 7.995 15.947 10.638 702 HD2 LYS 88 2HD LYS 88 8.253 13.551 10.956 703 HD3 LYS 88 3HD LYS 88 9.928 13.628 10.399 704 HE2 LYS 88 2HE LYS 88 10.474 15.082 12.311 705 HE3 LYS 88 3HE LYS 88 8.805 14.961 12.873 706 HZ1 LYS 88 3HZ LYS 88 10.217 13.430 14.065 707 HZ2 LYS 88 1HZ LYS 88 10.737 12.717 12.622 708 HZ3 LYS 88 2HZ LYS 88 9.126 12.561 13.109 709 H GLN 89 H GLN 89 9.332 17.794 6.034 710 HA GLN 89 HA GLN 89 8.250 16.375 3.773 711 HB2 GLN 89 2HB GLN 89 9.798 17.914 2.479 712 HB3 GLN 89 3HB GLN 89 8.579 18.704 3.471 713 HG2 GLN 89 2HG GLN 89 10.254 19.140 5.202 714 HG3 GLN 89 3HG GLN 89 11.479 18.335 4.223 715 HE21 GLN 89 1HE2 GLN 89 9.504 21.179 4.569 716 HE22 GLN 89 2HE2 GLN 89 10.353 22.146 3.419 717 H ILE 90 H ILE 90 9.118 14.239 4.468 718 HA ILE 90 HA ILE 90 11.968 13.820 4.360 719 HB ILE 90 HB ILE 90 11.572 11.518 4.797 720 HG12 ILE 90 2HG1 ILE 90 8.601 11.881 4.348 721 HG13 ILE 90 3HG1 ILE 90 9.682 11.336 3.069 722 HG21 ILE 90 1HG2 ILE 90 10.151 11.585 6.799 723 HG22 ILE 90 2HG2 ILE 90 9.491 13.136 6.278 724 HG23 ILE 90 3HG2 ILE 90 11.199 13.002 6.700 725 HD11 ILE 90 3HD1 ILE 90 8.572 9.463 4.132 726 HD12 ILE 90 1HD1 ILE 90 9.219 9.944 5.700 727 HD13 ILE 90 2HD1 ILE 90 10.311 9.401 4.425 728 H SER 91 H SER 91 12.864 12.024 2.958 729 HA SER 91 HA SER 91 11.997 12.427 0.173 730 HB2 SER 91 2HB SER 91 14.199 11.602 -0.455 731 HB3 SER 91 3HB SER 91 14.376 12.871 0.756 732 HG SER 91 HG SER 91 15.677 11.254 1.448 733 H MET 92 H MET 92 12.344 10.465 -1.287 734 HA MET 92 HA MET 92 10.746 8.289 -0.536 735 HB2 MET 92 2HB MET 92 11.095 8.807 -2.868 736 HB3 MET 92 3HB MET 92 12.828 8.551 -2.716 737 HG2 MET 92 2HG MET 92 12.407 6.163 -2.261 738 HG3 MET 92 3HG MET 92 10.683 6.443 -2.502 739 HE1 MET 92 3HE MET 92 11.998 4.410 -5.667 740 HE2 MET 92 1HE MET 92 10.922 4.353 -4.272 741 HE3 MET 92 2HE MET 92 12.670 4.325 -4.039 742 H ALA 93 H ALA 93 14.218 8.791 -0.315 743 HA ALA 93 HA ALA 93 15.012 6.171 0.332 744 HB1 ALA 93 3HB ALA 93 16.241 8.789 1.205 745 HB2 ALA 93 1HB ALA 93 16.592 7.926 -0.292 746 HB3 ALA 93 2HB ALA 93 17.028 7.211 1.260 747 H GLU 94 H GLU 94 14.009 8.870 2.444 748 HA GLU 94 HA GLU 94 14.370 7.507 4.895 749 HB2 GLU 94 2HB GLU 94 12.562 9.823 4.171 750 HB3 GLU 94 3HB GLU 94 12.835 9.267 5.819 751 HG2 GLU 94 2HG GLU 94 15.184 9.807 5.664 752 HG3 GLU 94 3HG GLU 94 15.003 10.228 3.965 753 H ALA 95 H ALA 95 11.634 7.668 2.666 754 HA ALA 95 HA ALA 95 9.750 6.264 4.200 755 HB1 ALA 95 3HB ALA 95 8.668 5.722 2.087 756 HB2 ALA 95 1HB ALA 95 10.128 6.170 1.202 757 HB3 ALA 95 2HB ALA 95 9.219 7.397 2.083 758 H GLN 96 H GLN 96 12.231 5.041 1.947 759 HA GLN 96 HA GLN 96 11.771 2.284 2.385 760 HB2 GLN 96 2HB GLN 96 14.120 3.867 1.372 761 HB3 GLN 96 3HB GLN 96 14.252 2.131 1.610 762 HG2 GLN 96 2HG GLN 96 12.142 3.417 -0.111 763 HG3 GLN 96 3HG GLN 96 13.700 2.859 -0.719 764 HE21 GLN 96 1HE2 GLN 96 10.656 1.856 0.669 765 HE22 GLN 96 2HE2 GLN 96 10.769 0.200 0.206 766 H GLY 97 H GLY 97 13.530 4.674 4.227 767 HA2 GLY 97 2HA GLY 97 14.995 2.867 5.882 768 HA3 GLY 97 3HA GLY 97 14.647 4.552 6.238 769 H LYS 98 H LYS 98 11.697 3.971 5.904 770 HA LYS 98 HA LYS 98 11.259 3.022 8.643 771 HB2 LYS 98 2HB LYS 98 10.258 5.186 7.362 772 HB3 LYS 98 3HB LYS 98 8.981 4.032 7.014 773 HG2 LYS 98 2HG LYS 98 9.968 4.820 9.755 774 HG3 LYS 98 3HG LYS 98 8.466 5.343 8.998 775 HD2 LYS 98 2HD LYS 98 7.670 3.018 8.980 776 HD3 LYS 98 3HD LYS 98 9.177 2.496 9.734 777 HE2 LYS 98 2HE LYS 98 8.657 3.914 11.689 778 HE3 LYS 98 3HE LYS 98 7.126 4.364 10.939 779 HZ1 LYS 98 3HZ LYS 98 6.438 2.063 11.013 780 HZ2 LYS 98 1HZ LYS 98 6.874 2.575 12.564 781 HZ3 LYS 98 2HZ LYS 98 7.923 1.598 11.672 782 H PHE 99 H PHE 99 10.152 2.355 5.323 783 HA PHE 99 HA PHE 99 9.282 -0.324 6.217 784 HB2 PHE 99 2HB PHE 99 7.914 1.371 4.110 785 HB3 PHE 99 3HB PHE 99 7.447 -0.259 4.587 786 HD1 PHE 99 HD2 PHE 99 6.602 -0.649 6.928 787 HD2 PHE 99 HD1 PHE 99 7.153 3.258 5.312 788 HE1 PHE 99 HE2 PHE 99 5.128 0.277 8.665 789 HE2 PHE 99 HE1 PHE 99 5.679 4.185 7.051 790 HZ PHE 99 HZ PHE 99 4.665 2.698 8.728 791 HA PRO 100 HA PRO 100 12.569 -0.562 2.923 792 HB2 PRO 100 2HB PRO 100 13.865 -2.721 3.958 793 HB3 PRO 100 3HB PRO 100 14.158 -1.066 4.504 794 HG2 PRO 100 2HG PRO 100 12.419 -3.178 5.737 795 HG3 PRO 100 3HG PRO 100 13.577 -2.087 6.524 796 HD2 PRO 100 2HD PRO 100 10.920 -1.607 6.541 797 HD3 PRO 100 3HD PRO 100 12.111 -0.288 6.463 798 H GLU 101 H GLU 101 10.376 -3.013 4.159 799 HA GLU 101 HA GLU 101 10.873 -4.847 1.974 800 HB2 GLU 101 2HB GLU 101 8.723 -4.890 4.106 801 HB3 GLU 101 3HB GLU 101 9.055 -6.190 2.969 802 HG2 GLU 101 2HG GLU 101 11.363 -6.329 3.923 803 HG3 GLU 101 3HG GLU 101 10.860 -5.173 5.154 804 H VAL 102 H VAL 102 8.898 -2.100 2.419 805 HA VAL 102 HA VAL 102 6.916 -2.932 0.434 806 HB VAL 102 HB VAL 102 7.163 -0.312 1.935 807 HG11 VAL 102 1HG1 VAL 102 4.927 -1.394 0.212 808 HG12 VAL 102 2HG1 VAL 102 5.967 -0.019 -0.159 809 HG13 VAL 102 3HG1 VAL 102 4.838 0.069 1.192 810 HG21 VAL 102 3HG2 VAL 102 5.349 -2.681 2.436 811 HG22 VAL 102 1HG2 VAL 102 5.287 -1.140 3.292 812 HG23 VAL 102 2HG2 VAL 102 6.704 -2.177 3.446 813 H VAL 103 H VAL 103 6.977 -2.329 -1.677 814 HA VAL 103 HA VAL 103 9.362 -0.996 -2.640 815 HB VAL 103 HB VAL 103 6.998 -2.124 -4.166 816 HG11 VAL 103 1HG1 VAL 103 9.704 -1.233 -5.181 817 HG12 VAL 103 2HG1 VAL 103 8.165 -0.420 -5.473 818 HG13 VAL 103 3HG1 VAL 103 8.453 -2.027 -6.138 819 HG21 VAL 103 3HG2 VAL 103 8.509 -4.006 -4.663 820 HG22 VAL 103 1HG2 VAL 103 8.192 -3.850 -2.935 821 HG23 VAL 103 2HG2 VAL 103 9.728 -3.296 -3.603 822 H PHE 104 H PHE 104 9.328 1.185 -2.306 823 HA PHE 104 HA PHE 104 6.975 2.762 -2.971 824 HB2 PHE 104 2HB PHE 104 9.709 3.503 -1.905 825 HB3 PHE 104 3HB PHE 104 8.497 4.706 -2.331 826 HD1 PHE 104 HD1 PHE 104 9.073 1.755 -0.135 827 HD2 PHE 104 HD2 PHE 104 6.862 5.338 -0.784 828 HE1 PHE 104 HE1 PHE 104 8.093 1.553 2.111 829 HE2 PHE 104 HE2 PHE 104 5.873 5.133 1.460 830 HZ PHE 104 HZ PHE 104 6.492 3.241 2.911 831 H SER 105 H SER 105 6.926 4.394 -4.584 832 HA SER 105 HA SER 105 9.077 4.407 -6.576 833 HB2 SER 105 2HB SER 105 6.196 3.714 -7.209 834 HB3 SER 105 3HB SER 105 7.385 4.160 -8.432 835 HG SER 105 HG SER 105 8.122 2.142 -6.660 836 H GLY 106 H GLY 106 9.593 6.461 -6.934 837 HA2 GLY 106 2HA GLY 106 7.412 8.463 -7.075 838 HA3 GLY 106 3HA GLY 106 8.945 8.811 -6.290 839 H SER 107 H SER 107 7.318 9.572 -8.955 840 HA SER 107 HA SER 107 9.703 10.408 -10.323 841 HB2 SER 107 2HB SER 107 9.202 9.317 -12.496 842 HB3 SER 107 3HB SER 107 9.585 8.149 -11.236 843 HG SER 107 HG SER 107 7.798 7.308 -12.071 844 H ASN 108 H ASN 108 6.767 9.831 -12.151 845 HA ASN 108 HA ASN 108 5.262 12.097 -11.697 846 HB2 ASN 108 2HB ASN 108 7.338 13.362 -12.295 847 HB3 ASN 108 3HB ASN 108 7.295 12.624 -13.891 848 HD21 ASN 108 1HD2 ASN 108 4.548 13.819 -12.013 849 HD22 ASN 108 2HD2 ASN 108 4.118 15.064 -13.132 850 H LEU 109 H LEU 109 3.512 12.256 -13.150 851 HA LEU 109 HA LEU 109 3.193 9.999 -14.956 852 HB2 LEU 109 2HB LEU 109 1.280 12.195 -14.132 853 HB3 LEU 109 3HB LEU 109 0.864 10.896 -15.233 854 HG LEU 109 HG LEU 109 1.369 9.268 -13.369 855 HD11 LEU 109 1HD1 LEU 109 1.357 10.129 -11.070 856 HD12 LEU 109 2HD1 LEU 109 1.425 11.779 -11.694 857 HD13 LEU 109 3HD1 LEU 109 2.770 10.673 -11.975 858 HD21 LEU 109 3HD2 LEU 109 -0.911 9.844 -13.950 859 HD22 LEU 109 1HD2 LEU 109 -0.841 11.277 -12.924 860 HD23 LEU 109 2HD2 LEU 109 -0.760 9.670 -12.203 861 H GLU 110 H GLU 110 3.031 10.097 -17.176 862 HA GLU 110 HA GLU 110 4.382 12.220 -18.484 863 HB2 GLU 110 2HB GLU 110 2.790 9.913 -19.631 864 HB3 GLU 110 3HB GLU 110 3.806 10.993 -20.580 865 HG2 GLU 110 2HG GLU 110 5.766 10.269 -19.290 866 HG3 GLU 110 3HG GLU 110 4.742 9.175 -18.362 867 H HIS 111 H HIS 111 3.570 13.446 -20.347 868 HA HIS 111 HA HIS 111 1.108 14.809 -19.650 869 HB2 HIS 111 2HB HIS 111 3.197 16.017 -20.299 870 HB3 HIS 111 3HB HIS 111 3.051 15.347 -21.918 871 HD1 HIS 111 HD1 HIS 111 1.143 16.305 -23.422 872 HD2 HIS 111 HD2 HIS 111 1.575 18.200 -19.753 873 HE1 HIS 111 HE1 HIS 111 -0.153 18.442 -23.613 874 HE2 HIS 111 HE2 HIS 111 0.337 19.669 -21.480 875 H HIS 112 H HIS 112 0.093 12.512 -20.247 876 HA HIS 112 HA HIS 112 -0.312 12.095 -23.079 877 HB2 HIS 112 2HB HIS 112 -0.130 10.203 -21.470 878 HB3 HIS 112 3HB HIS 112 -1.660 10.699 -20.756 879 HD1 HIS 112 HD1 HIS 112 -0.209 9.082 -23.809 880 HD2 HIS 112 HD2 HIS 112 -3.944 10.037 -22.253 881 HE1 HIS 112 HE1 HIS 112 -1.870 7.874 -25.248 882 HE2 HIS 112 HE2 HIS 112 -4.093 8.320 -24.178 883 H HIS 113 H HIS 113 -2.667 12.600 -20.392 884 HA HIS 113 HA HIS 113 -4.293 14.202 -22.265 885 HB2 HIS 113 2HB HIS 113 -5.220 11.915 -22.189 886 HB3 HIS 113 3HB HIS 113 -5.365 12.029 -20.439 887 HD1 HIS 113 HD1 HIS 113 -7.587 12.809 -19.611 888 HD2 HIS 113 HD2 HIS 113 -6.913 13.931 -23.553 889 HE1 HIS 113 HE1 HIS 113 -9.715 13.888 -20.373 890 HE2 HIS 113 HE2 HIS 113 -9.352 14.361 -22.815 891 H HIS 114 H HIS 114 -5.077 16.066 -21.422 892 HA HIS 114 HA HIS 114 -4.402 16.940 -18.828 893 HB2 HIS 114 2HB HIS 114 -5.936 18.850 -19.264 894 HB3 HIS 114 3HB HIS 114 -4.799 18.563 -20.574 895 HD1 HIS 114 HD1 HIS 114 -5.784 18.468 -22.842 896 HD2 HIS 114 HD2 HIS 114 -8.635 17.758 -19.905 897 HE1 HIS 114 HE1 HIS 114 -7.972 18.326 -24.051 898 HE2 HIS 114 HE2 HIS 114 -9.697 18.043 -22.247 899 H HIS 115 H HIS 115 -5.598 17.167 -16.936 900 HA HIS 115 HA HIS 115 -7.799 15.219 -16.734 901 HB2 HIS 115 2HB HIS 115 -6.034 16.283 -14.518 902 HB3 HIS 115 3HB HIS 115 -7.162 14.932 -14.421 903 HD1 HIS 115 HD1 HIS 115 -3.701 15.493 -14.697 904 HD2 HIS 115 HD2 HIS 115 -6.335 12.897 -16.590 905 HE1 HIS 115 HE1 HIS 115 -2.274 13.664 -15.650 906 HE2 HIS 115 HE2 HIS 115 -3.864 12.236 -16.974 907 H HIS 116 H HIS 116 -9.777 15.962 -16.524 908 HA HIS 116 HA HIS 116 -10.337 18.726 -15.900 909 HB2 HIS 116 2HB HIS 116 -11.565 17.483 -17.655 910 HB3 HIS 116 3HB HIS 116 -12.218 16.407 -16.429 911 HD1 HIS 116 HD1 HIS 116 -14.016 17.413 -14.816 912 HD2 HIS 116 HD2 HIS 116 -12.895 19.906 -17.942 913 HE1 HIS 116 HE1 HIS 116 -15.783 19.185 -14.925 914 HE2 HIS 116 HE2 HIS 116 -15.201 20.547 -16.954 Start of MODEL 17 1 H1 MET 1 1H MET 1 9.382 -33.295 -3.061 2 H2 MET 1 2H MET 1 9.972 -32.996 -1.507 3 H3 MET 1 3H MET 1 9.505 -31.704 -2.496 4 HA MET 1 HA MET 1 7.723 -33.801 -1.385 5 HB2 MET 1 2HB MET 1 8.483 -32.171 0.294 6 HB3 MET 1 3HB MET 1 7.964 -30.847 -0.740 7 HG2 MET 1 2HG MET 1 5.639 -31.632 -0.548 8 HG3 MET 1 3HG MET 1 6.179 -32.916 0.533 9 HE1 MET 1 3HE MET 1 4.492 -32.189 2.441 10 HE2 MET 1 1HE MET 1 3.862 -30.957 1.346 11 HE3 MET 1 2HE MET 1 4.312 -30.523 2.993 12 H ALA 2 H ALA 2 5.986 -34.179 -2.622 13 HA ALA 2 HA ALA 2 5.253 -32.391 -4.784 14 HB1 ALA 2 3HB ALA 2 5.161 -34.827 -5.084 15 HB2 ALA 2 1HB ALA 2 3.584 -34.083 -5.350 16 HB3 ALA 2 2HB ALA 2 3.917 -34.933 -3.840 17 H ALA 3 H ALA 3 4.540 -30.488 -3.785 18 HA ALA 3 HA ALA 3 2.569 -30.520 -1.684 19 HB1 ALA 3 3HB ALA 3 2.690 -28.082 -1.816 20 HB2 ALA 3 1HB ALA 3 3.638 -28.203 -3.299 21 HB3 ALA 3 2HB ALA 3 4.300 -28.798 -1.777 22 H SER 4 H SER 4 2.473 -30.294 -5.151 23 HA SER 4 HA SER 4 0.798 -30.211 -6.674 24 HB2 SER 4 2HB SER 4 -0.251 -31.979 -5.336 25 HB3 SER 4 3HB SER 4 -1.015 -30.766 -4.309 26 HG SER 4 HG SER 4 -2.450 -31.512 -5.897 27 H THR 5 H THR 5 -0.895 -28.743 -3.879 28 HA THR 5 HA THR 5 -2.156 -26.739 -5.397 29 HB THR 5 HB THR 5 -1.595 -26.789 -2.417 30 HG1 THR 5 HG1 THR 5 -3.856 -27.477 -2.411 31 HG21 THR 5 3HG2 THR 5 -3.429 -25.165 -2.227 32 HG22 THR 5 1HG2 THR 5 -3.557 -25.097 -3.986 33 HG23 THR 5 2HG2 THR 5 -2.101 -24.507 -3.182 34 H VAL 6 H VAL 6 -1.290 -25.048 -6.379 35 HA VAL 6 HA VAL 6 1.356 -24.090 -5.698 36 HB VAL 6 HB VAL 6 0.760 -24.328 -8.049 37 HG11 VAL 6 1HG1 VAL 6 -1.636 -23.890 -7.903 38 HG12 VAL 6 2HG1 VAL 6 -0.881 -22.872 -9.129 39 HG13 VAL 6 3HG1 VAL 6 -1.318 -22.188 -7.561 40 HG21 VAL 6 3HG2 VAL 6 2.418 -22.637 -7.460 41 HG22 VAL 6 1HG2 VAL 6 1.146 -21.428 -7.272 42 HG23 VAL 6 2HG2 VAL 6 1.478 -22.123 -8.861 43 H HIS 7 H HIS 7 1.858 -22.302 -4.543 44 HA HIS 7 HA HIS 7 -0.323 -20.640 -3.514 45 HB2 HIS 7 2HB HIS 7 2.625 -20.673 -2.811 46 HB3 HIS 7 3HB HIS 7 1.409 -19.679 -2.019 47 HD1 HIS 7 HD1 HIS 7 3.194 -22.660 -1.497 48 HD2 HIS 7 HD2 HIS 7 -0.772 -21.567 -0.958 49 HE1 HIS 7 HE1 HIS 7 2.269 -24.306 0.151 50 HE2 HIS 7 HE2 HIS 7 -0.052 -23.471 0.639 51 H THR 8 H THR 8 0.083 -18.241 -3.364 52 HA THR 8 HA THR 8 1.820 -17.136 -5.455 53 HB THR 8 HB THR 8 -1.119 -16.397 -5.251 54 HG1 THR 8 HG1 THR 8 -0.150 -18.428 -6.471 55 HG21 THR 8 3HG2 THR 8 -0.680 -14.966 -7.197 56 HG22 THR 8 1HG2 THR 8 1.025 -15.403 -7.144 57 HG23 THR 8 2HG2 THR 8 0.312 -14.472 -5.825 58 H SER 9 H SER 9 3.014 -15.577 -4.572 59 HA SER 9 HA SER 9 2.201 -14.366 -2.046 60 HB2 SER 9 2HB SER 9 4.581 -13.344 -2.257 61 HB3 SER 9 3HB SER 9 4.433 -15.072 -1.940 62 HG SER 9 HG SER 9 5.942 -14.633 -3.593 63 H PHE 10 H PHE 10 2.634 -11.991 -1.724 64 HA PHE 10 HA PHE 10 1.965 -10.419 -4.131 65 HB2 PHE 10 2HB PHE 10 0.521 -10.215 -1.474 66 HB3 PHE 10 3HB PHE 10 0.223 -9.210 -2.889 67 HD1 PHE 10 HD1 PHE 10 -0.793 -10.211 -4.922 68 HD2 PHE 10 HD2 PHE 10 -0.411 -12.403 -1.289 69 HE1 PHE 10 HE1 PHE 10 -2.436 -11.850 -5.740 70 HE2 PHE 10 HE2 PHE 10 -2.057 -14.040 -2.102 71 HZ PHE 10 HZ PHE 10 -3.065 -13.769 -4.329 72 H ILE 11 H ILE 11 2.817 -8.383 -4.228 73 HA ILE 11 HA ILE 11 4.445 -7.466 -1.929 74 HB ILE 11 HB ILE 11 4.910 -6.849 -4.860 75 HG12 ILE 11 2HG1 ILE 11 6.347 -8.778 -3.009 76 HG13 ILE 11 3HG1 ILE 11 5.397 -9.195 -4.430 77 HG21 ILE 11 1HG2 ILE 11 5.670 -5.071 -3.365 78 HG22 ILE 11 2HG2 ILE 11 7.042 -5.903 -4.096 79 HG23 ILE 11 3HG2 ILE 11 6.594 -6.243 -2.426 80 HD11 ILE 11 3HD1 ILE 11 7.025 -8.084 -5.861 81 HD12 ILE 11 1HD1 ILE 11 7.781 -9.338 -4.876 82 HD13 ILE 11 2HD1 ILE 11 7.975 -7.640 -4.443 83 H LEU 12 H LEU 12 4.282 -5.315 -1.281 84 HA LEU 12 HA LEU 12 2.052 -3.777 -2.415 85 HB2 LEU 12 2HB LEU 12 2.100 -4.146 0.025 86 HB3 LEU 12 3HB LEU 12 3.656 -3.341 0.113 87 HG LEU 12 HG LEU 12 2.536 -1.251 -0.746 88 HD11 LEU 12 1HD1 LEU 12 0.585 -2.276 -1.784 89 HD12 LEU 12 2HD1 LEU 12 0.105 -1.091 -0.569 90 HD13 LEU 12 3HD1 LEU 12 0.012 -2.815 -0.205 91 HD21 LEU 12 3HD2 LEU 12 3.054 -1.552 1.622 92 HD22 LEU 12 1HD2 LEU 12 1.512 -2.373 1.866 93 HD23 LEU 12 2HD2 LEU 12 1.542 -0.669 1.415 94 H LYS 13 H LYS 13 2.499 -2.234 -3.887 95 HA LYS 13 HA LYS 13 5.102 -0.854 -3.733 96 HB2 LYS 13 2HB LYS 13 3.208 -0.962 -6.092 97 HB3 LYS 13 3HB LYS 13 4.790 -0.194 -6.065 98 HG2 LYS 13 2HG LYS 13 5.595 -2.621 -5.411 99 HG3 LYS 13 3HG LYS 13 4.081 -3.087 -6.189 100 HD2 LYS 13 2HD LYS 13 6.445 -1.653 -7.393 101 HD3 LYS 13 3HD LYS 13 5.728 -3.187 -7.886 102 HE2 LYS 13 2HE LYS 13 4.399 -0.481 -8.124 103 HE3 LYS 13 3HE LYS 13 5.213 -1.324 -9.438 104 HZ1 LYS 13 3HZ LYS 13 3.586 -3.040 -9.380 105 HZ2 LYS 13 1HZ LYS 13 2.762 -1.561 -9.409 106 HZ3 LYS 13 2HZ LYS 13 2.890 -2.436 -7.964 107 H VAL 14 H VAL 14 5.177 1.244 -3.237 108 HA VAL 14 HA VAL 14 2.648 2.776 -3.157 109 HB VAL 14 HB VAL 14 5.092 3.087 -1.397 110 HG11 VAL 14 1HG1 VAL 14 3.800 4.795 -0.193 111 HG12 VAL 14 2HG1 VAL 14 2.510 4.658 -1.389 112 HG13 VAL 14 3HG1 VAL 14 4.096 5.265 -1.868 113 HG21 VAL 14 3HG2 VAL 14 3.729 1.148 -0.806 114 HG22 VAL 14 1HG2 VAL 14 2.289 2.167 -0.737 115 HG23 VAL 14 2HG2 VAL 14 3.596 2.403 0.426 116 H LEU 15 H LEU 15 2.522 4.327 -4.638 117 HA LEU 15 HA LEU 15 4.903 5.388 -5.930 118 HB2 LEU 15 2HB LEU 15 2.491 4.791 -6.930 119 HB3 LEU 15 3HB LEU 15 2.175 6.461 -6.511 120 HG LEU 15 HG LEU 15 4.303 5.461 -8.418 121 HD11 LEU 15 1HD1 LEU 15 1.794 7.064 -8.919 122 HD12 LEU 15 2HD1 LEU 15 2.025 5.356 -9.299 123 HD13 LEU 15 3HD1 LEU 15 2.986 6.577 -10.128 124 HD21 LEU 15 3HD2 LEU 15 4.746 7.830 -8.899 125 HD22 LEU 15 1HD2 LEU 15 5.126 7.421 -7.226 126 HD23 LEU 15 2HD2 LEU 15 3.642 8.298 -7.604 127 H TRP 16 H TRP 16 5.974 6.952 -4.865 128 HA TRP 16 HA TRP 16 4.564 8.699 -3.002 129 HB2 TRP 16 2HB TRP 16 6.815 7.469 -2.581 130 HB3 TRP 16 3HB TRP 16 7.530 8.755 -3.543 131 HD1 TRP 16 HD1 TRP 16 7.760 11.155 -2.400 132 HE1 TRP 16 HE1 TRP 16 7.493 11.953 0.033 133 HE3 TRP 16 HE3 TRP 16 5.399 7.055 -0.450 134 HZ2 TRP 16 HZ2 TRP 16 6.413 10.974 2.461 135 HZ3 TRP 16 HZ3 TRP 16 4.782 7.066 1.931 136 HH2 TRP 16 HH2 TRP 16 5.281 8.987 3.357 137 H LEU 17 H LEU 17 3.789 10.624 -3.670 138 HA LEU 17 HA LEU 17 5.062 11.913 -6.006 139 HB2 LEU 17 2HB LEU 17 2.192 11.995 -5.072 140 HB3 LEU 17 3HB LEU 17 2.831 13.015 -6.348 141 HG LEU 17 HG LEU 17 2.720 9.991 -6.418 142 HD11 LEU 17 1HD1 LEU 17 1.069 12.051 -7.884 143 HD12 LEU 17 2HD1 LEU 17 0.506 10.997 -6.587 144 HD13 LEU 17 3HD1 LEU 17 1.003 10.305 -8.129 145 HD21 LEU 17 3HD2 LEU 17 4.624 10.848 -7.673 146 HD22 LEU 17 1HD2 LEU 17 3.575 11.980 -8.528 147 HD23 LEU 17 2HD2 LEU 17 3.384 10.244 -8.767 148 H ASP 18 H ASP 18 4.255 14.345 -6.075 149 HA ASP 18 HA ASP 18 5.805 15.793 -4.304 150 HB2 ASP 18 2HB ASP 18 5.153 16.633 -6.480 151 HB3 ASP 18 3HB ASP 18 3.460 16.664 -6.006 152 H GLN 19 H GLN 19 2.230 15.505 -4.247 153 HA GLN 19 HA GLN 19 2.299 16.043 -1.350 154 HB2 GLN 19 2HB GLN 19 0.488 17.374 -3.373 155 HB3 GLN 19 3HB GLN 19 0.139 17.357 -1.650 156 HG2 GLN 19 2HG GLN 19 2.251 18.538 -1.219 157 HG3 GLN 19 3HG GLN 19 2.569 18.579 -2.953 158 HE21 GLN 19 1HE2 GLN 19 1.343 19.950 -4.260 159 HE22 GLN 19 2HE2 GLN 19 0.387 21.232 -3.606 160 H ASN 20 H ASN 20 1.735 13.703 -3.373 161 HA ASN 20 HA ASN 20 -0.688 12.740 -1.997 162 HB2 ASN 20 2HB ASN 20 -0.105 12.501 -4.959 163 HB3 ASN 20 3HB ASN 20 -1.407 11.655 -4.128 164 HD21 ASN 20 1HD2 ASN 20 -0.251 14.735 -5.234 165 HD22 ASN 20 2HD2 ASN 20 -1.747 15.578 -5.060 166 H VAL 21 H VAL 21 -0.925 10.430 -1.920 167 HA VAL 21 HA VAL 21 1.505 8.865 -2.485 168 HB VAL 21 HB VAL 21 1.665 9.360 -0.139 169 HG11 VAL 21 1HG1 VAL 21 -0.113 8.806 1.462 170 HG12 VAL 21 2HG1 VAL 21 -1.169 8.358 0.121 171 HG13 VAL 21 3HG1 VAL 21 -0.627 10.027 0.296 172 HG21 VAL 21 3HG2 VAL 21 1.561 7.121 0.868 173 HG22 VAL 21 1HG2 VAL 21 2.261 7.077 -0.752 174 HG23 VAL 21 2HG2 VAL 21 0.594 6.557 -0.495 175 H ALA 22 H ALA 22 1.032 7.149 -3.714 176 HA ALA 22 HA ALA 22 -1.733 6.103 -3.680 177 HB1 ALA 22 3HB ALA 22 -1.381 5.398 -5.982 178 HB2 ALA 22 1HB ALA 22 0.278 5.997 -5.929 179 HB3 ALA 22 2HB ALA 22 -1.072 7.127 -5.808 180 H ILE 23 H ILE 23 -2.095 3.949 -3.343 181 HA ILE 23 HA ILE 23 0.278 2.218 -2.958 182 HB ILE 23 HB ILE 23 -1.036 0.928 -1.314 183 HG12 ILE 23 2HG1 ILE 23 -3.095 3.141 -1.611 184 HG13 ILE 23 3HG1 ILE 23 -3.297 1.481 -2.162 185 HG21 ILE 23 1HG2 ILE 23 0.471 2.696 -0.554 186 HG22 ILE 23 2HG2 ILE 23 -0.929 2.557 0.508 187 HG23 ILE 23 3HG2 ILE 23 -0.841 3.871 -0.665 188 HD11 ILE 23 3HD1 ILE 23 -2.957 2.351 0.704 189 HD12 ILE 23 1HD1 ILE 23 -3.185 0.692 0.140 190 HD13 ILE 23 2HD1 ILE 23 -4.469 1.881 -0.072 191 H ALA 24 H ALA 24 0.239 0.113 -3.710 192 HA ALA 24 HA ALA 24 -2.145 -1.010 -4.927 193 HB1 ALA 24 3HB ALA 24 -1.241 0.376 -6.746 194 HB2 ALA 24 1HB ALA 24 -1.166 -1.344 -7.132 195 HB3 ALA 24 2HB ALA 24 0.294 -0.486 -6.634 196 H VAL 25 H VAL 25 -1.834 -3.277 -5.598 197 HA VAL 25 HA VAL 25 0.458 -4.564 -4.236 198 HB VAL 25 HB VAL 25 -2.385 -5.599 -4.462 199 HG11 VAL 25 1HG1 VAL 25 -0.789 -7.437 -4.675 200 HG12 VAL 25 2HG1 VAL 25 -1.626 -7.512 -3.124 201 HG13 VAL 25 3HG1 VAL 25 0.032 -6.913 -3.204 202 HG21 VAL 25 3HG2 VAL 25 -2.402 -5.435 -2.015 203 HG22 VAL 25 1HG2 VAL 25 -2.114 -3.863 -2.761 204 HG23 VAL 25 2HG2 VAL 25 -0.773 -4.757 -2.044 205 H ASP 26 H ASP 26 1.586 -6.097 -5.325 206 HA ASP 26 HA ASP 26 0.717 -6.798 -8.057 207 HB2 ASP 26 2HB ASP 26 3.521 -6.585 -6.921 208 HB3 ASP 26 3HB ASP 26 3.136 -7.115 -8.558 209 H GLN 27 H GLN 27 0.712 -8.925 -8.684 210 HA GLN 27 HA GLN 27 0.954 -10.925 -6.566 211 HB2 GLN 27 2HB GLN 27 -0.214 -12.421 -8.155 212 HB3 GLN 27 3HB GLN 27 -1.106 -10.936 -7.854 213 HG2 GLN 27 2HG GLN 27 -0.321 -10.019 -9.974 214 HG3 GLN 27 3HG GLN 27 0.606 -11.485 -10.277 215 HE21 GLN 27 1HE2 GLN 27 -0.512 -13.392 -10.790 216 HE22 GLN 27 2HE2 GLN 27 -2.142 -13.360 -11.354 217 H ILE 28 H ILE 28 2.700 -12.190 -6.367 218 HA ILE 28 HA ILE 28 4.718 -12.297 -8.440 219 HB ILE 28 HB ILE 28 4.601 -13.713 -5.772 220 HG12 ILE 28 2HG1 ILE 28 6.092 -11.223 -6.653 221 HG13 ILE 28 3HG1 ILE 28 4.722 -11.271 -5.548 222 HG21 ILE 28 1HG2 ILE 28 6.996 -14.153 -6.103 223 HG22 ILE 28 2HG2 ILE 28 6.899 -13.450 -7.720 224 HG23 ILE 28 3HG2 ILE 28 6.015 -14.929 -7.344 225 HD11 ILE 28 3HD1 ILE 28 6.065 -12.540 -3.949 226 HD12 ILE 28 1HD1 ILE 28 6.807 -10.990 -4.348 227 HD13 ILE 28 2HD1 ILE 28 7.438 -12.478 -5.058 228 H VAL 29 H VAL 29 4.196 -13.491 -10.163 229 HA VAL 29 HA VAL 29 2.838 -16.067 -9.874 230 HB VAL 29 HB VAL 29 3.728 -14.751 -12.449 231 HG11 VAL 29 1HG1 VAL 29 1.568 -16.772 -11.861 232 HG12 VAL 29 2HG1 VAL 29 3.100 -17.076 -12.680 233 HG13 VAL 29 3HG1 VAL 29 1.885 -16.046 -13.438 234 HG21 VAL 29 3HG2 VAL 29 1.130 -14.319 -10.964 235 HG22 VAL 29 1HG2 VAL 29 1.461 -13.781 -12.614 236 HG23 VAL 29 2HG2 VAL 29 2.388 -13.119 -11.267 237 H GLY 30 H GLY 30 3.732 -18.041 -10.688 238 HA2 GLY 30 2HA GLY 30 6.449 -18.539 -10.285 239 HA3 GLY 30 3HA GLY 30 5.372 -19.569 -11.214 240 H LYS 31 H LYS 31 4.935 -17.138 -13.051 241 HA LYS 31 HA LYS 31 7.246 -17.567 -14.782 242 HB2 LYS 31 2HB LYS 31 4.677 -16.031 -15.258 243 HB3 LYS 31 3HB LYS 31 5.928 -16.297 -16.462 244 HG2 LYS 31 2HG LYS 31 4.426 -18.545 -15.122 245 HG3 LYS 31 3HG LYS 31 3.893 -17.778 -16.615 246 HD2 LYS 31 2HD LYS 31 5.065 -19.569 -17.464 247 HD3 LYS 31 3HD LYS 31 6.333 -18.349 -17.427 248 HE2 LYS 31 2HE LYS 31 7.176 -20.456 -16.575 249 HE3 LYS 31 3HE LYS 31 7.125 -19.268 -15.275 250 HZ1 LYS 31 3HZ LYS 31 6.295 -21.473 -14.625 251 HZ2 LYS 31 1HZ LYS 31 5.043 -21.332 -15.751 252 HZ3 LYS 31 2HZ LYS 31 5.127 -20.267 -14.441 253 H GLY 32 H GLY 32 5.829 -15.036 -12.804 254 HA2 GLY 32 2HA GLY 32 8.072 -13.512 -12.448 255 HA3 GLY 32 3HA GLY 32 7.347 -12.875 -13.916 256 H THR 33 H THR 33 7.494 -11.054 -12.094 257 HA THR 33 HA THR 33 5.170 -11.016 -10.336 258 HB THR 33 HB THR 33 5.965 -8.756 -9.667 259 HG1 THR 33 HG1 THR 33 6.967 -8.120 -11.622 260 HG21 THR 33 3HG2 THR 33 8.053 -9.484 -8.581 261 HG22 THR 33 1HG2 THR 33 8.103 -10.897 -9.635 262 HG23 THR 33 2HG2 THR 33 6.794 -10.714 -8.465 263 H SER 34 H SER 34 3.276 -10.007 -10.722 264 HA SER 34 HA SER 34 3.063 -8.167 -13.025 265 HB2 SER 34 2HB SER 34 2.338 -10.436 -13.749 266 HB3 SER 34 3HB SER 34 1.133 -10.442 -12.464 267 HG SER 34 HG SER 34 -0.032 -8.934 -13.514 268 HA PRO 35 HA PRO 35 0.886 -5.567 -10.070 269 HB2 PRO 35 2HB PRO 35 -0.514 -4.649 -12.549 270 HB3 PRO 35 3HB PRO 35 0.263 -3.696 -11.276 271 HG2 PRO 35 2HG PRO 35 1.465 -4.029 -13.623 272 HG3 PRO 35 3HG PRO 35 2.404 -4.084 -12.118 273 HD2 PRO 35 2HD PRO 35 1.498 -6.334 -13.876 274 HD3 PRO 35 3HD PRO 35 3.027 -6.141 -12.992 275 H LEU 36 H LEU 36 -0.789 -6.156 -8.840 276 HA LEU 36 HA LEU 36 -2.883 -7.869 -9.952 277 HB2 LEU 36 2HB LEU 36 -1.706 -8.602 -7.933 278 HB3 LEU 36 3HB LEU 36 -2.209 -7.146 -7.097 279 HG LEU 36 HG LEU 36 -4.590 -7.893 -7.360 280 HD11 LEU 36 1HD1 LEU 36 -4.318 -9.362 -9.263 281 HD12 LEU 36 2HD1 LEU 36 -5.003 -10.247 -7.901 282 HD13 LEU 36 3HD1 LEU 36 -3.299 -10.445 -8.315 283 HD21 LEU 36 3HD2 LEU 36 -3.412 -8.226 -5.264 284 HD22 LEU 36 1HD2 LEU 36 -2.737 -9.744 -5.858 285 HD23 LEU 36 2HD2 LEU 36 -4.475 -9.595 -5.590 286 H THR 37 H THR 37 -2.585 -4.848 -8.088 287 HA THR 37 HA THR 37 -5.393 -4.197 -8.800 288 HB THR 37 HB THR 37 -5.613 -2.902 -6.766 289 HG1 THR 37 HG1 THR 37 -3.738 -2.048 -6.180 290 HG21 THR 37 3HG2 THR 37 -5.385 -4.640 -5.041 291 HG22 THR 37 1HG2 THR 37 -4.374 -5.589 -6.129 292 HG23 THR 37 2HG2 THR 37 -6.069 -5.299 -6.527 293 H SER 38 H SER 38 -5.755 -1.715 -8.609 294 HA SER 38 HA SER 38 -3.675 -0.344 -10.145 295 HB2 SER 38 2HB SER 38 -6.040 -0.172 -10.893 296 HB3 SER 38 3HB SER 38 -6.447 0.622 -9.373 297 HG SER 38 HG SER 38 -5.592 1.759 -11.576 298 H TYR 39 H TYR 39 -3.659 2.184 -9.488 299 HA TYR 39 HA TYR 39 -2.560 2.149 -6.768 300 HB2 TYR 39 2HB TYR 39 -2.179 4.107 -9.051 301 HB3 TYR 39 3HB TYR 39 -1.447 4.288 -7.459 302 HD1 TYR 39 HD1 TYR 39 -1.528 2.164 -10.493 303 HD2 TYR 39 HD2 TYR 39 0.510 3.044 -6.854 304 HE1 TYR 39 HE1 TYR 39 0.341 0.730 -11.198 305 HE2 TYR 39 HE2 TYR 39 2.384 1.614 -7.554 306 HH TYR 39 HH TYR 39 2.747 0.474 -10.731 307 H PHE 40 H PHE 40 -3.857 2.785 -5.186 308 HA PHE 40 HA PHE 40 -6.019 4.692 -5.700 309 HB2 PHE 40 2HB PHE 40 -5.401 3.109 -3.191 310 HB3 PHE 40 3HB PHE 40 -6.876 4.016 -3.519 311 HD1 PHE 40 HD1 PHE 40 -8.183 3.319 -5.673 312 HD2 PHE 40 HD2 PHE 40 -5.345 0.833 -3.687 313 HE1 PHE 40 HE1 PHE 40 -9.178 1.336 -6.735 314 HE2 PHE 40 HE2 PHE 40 -6.342 -1.150 -4.748 315 HZ PHE 40 HZ PHE 40 -8.259 -0.898 -6.274 316 H PHE 41 H PHE 41 -6.029 6.760 -5.010 317 HA PHE 41 HA PHE 41 -3.528 7.763 -3.877 318 HB2 PHE 41 2HB PHE 41 -5.802 9.129 -5.316 319 HB3 PHE 41 3HB PHE 41 -4.470 10.015 -4.579 320 HD1 PHE 41 HD1 PHE 41 -5.320 7.515 -7.180 321 HD2 PHE 41 HD2 PHE 41 -2.376 10.196 -5.659 322 HE1 PHE 41 HE1 PHE 41 -3.981 7.197 -9.221 323 HE2 PHE 41 HE2 PHE 41 -1.037 9.878 -7.695 324 HZ PHE 41 HZ PHE 41 -1.837 8.383 -9.479 325 H TRP 42 H TRP 42 -3.453 7.838 -1.744 326 HA TRP 42 HA TRP 42 -5.707 8.815 -0.154 327 HB2 TRP 42 2HB TRP 42 -4.650 6.944 0.829 328 HB3 TRP 42 3HB TRP 42 -3.041 7.543 0.461 329 HD1 TRP 42 HD1 TRP 42 -1.860 9.008 2.257 330 HE1 TRP 42 HE1 TRP 42 -2.437 9.716 4.645 331 HE3 TRP 42 HE3 TRP 42 -6.772 7.574 2.359 332 HZ2 TRP 42 HZ2 TRP 42 -4.672 9.686 6.364 333 HZ3 TRP 42 HZ3 TRP 42 -8.058 7.945 4.428 334 HH2 TRP 42 HH2 TRP 42 -7.028 8.978 6.390 335 HA PRO 43 HA PRO 43 -6.259 9.865 1.440 336 HB2 PRO 43 2HB PRO 43 -7.102 12.058 2.680 337 HB3 PRO 43 3HB PRO 43 -5.602 11.270 3.184 338 HG2 PRO 43 2HG PRO 43 -5.988 13.771 1.610 339 HG3 PRO 43 3HG PRO 43 -4.707 13.355 2.762 340 HD2 PRO 43 2HD PRO 43 -4.604 13.157 -0.085 341 HD3 PRO 43 3HD PRO 43 -3.384 12.603 1.078 342 H ARG 44 H ARG 44 -6.144 11.339 -1.386 343 HA ARG 44 HA ARG 44 -8.512 12.850 -1.626 344 HB2 ARG 44 2HB ARG 44 -7.146 11.268 -3.815 345 HB3 ARG 44 3HB ARG 44 -8.244 12.627 -4.028 346 HG2 ARG 44 2HG ARG 44 -6.531 13.976 -2.667 347 HG3 ARG 44 3HG ARG 44 -5.430 12.635 -2.981 348 HD2 ARG 44 2HD ARG 44 -6.807 14.379 -5.021 349 HD3 ARG 44 3HD ARG 44 -5.089 14.356 -4.633 350 HE ARG 44 HE ARG 44 -5.982 11.801 -5.505 351 HH11 ARG 44 1HH1 ARG 44 -5.108 14.936 -6.616 352 HH12 ARG 44 2HH1 ARG 44 -4.702 14.387 -8.204 353 HH21 ARG 44 1HH2 ARG 44 -5.471 11.098 -7.542 354 HH22 ARG 44 2HH2 ARG 44 -4.924 12.225 -8.731 355 H ALA 45 H ALA 45 -7.980 9.422 -1.647 356 HA ALA 45 HA ALA 45 -10.887 9.026 -1.565 357 HB1 ALA 45 3HB ALA 45 -10.758 7.062 -3.009 358 HB2 ALA 45 1HB ALA 45 -9.029 7.333 -3.242 359 HB3 ALA 45 2HB ALA 45 -10.198 8.500 -3.864 360 H ASP 46 H ASP 46 -11.446 6.859 -0.646 361 HA ASP 46 HA ASP 46 -9.853 6.280 1.659 362 HB2 ASP 46 2HB ASP 46 -12.162 4.673 0.526 363 HB3 ASP 46 3HB ASP 46 -11.526 4.590 2.170 364 H ALA 47 H ALA 47 -7.846 5.841 0.515 365 HA ALA 47 HA ALA 47 -7.422 3.964 -1.464 366 HB1 ALA 47 3HB ALA 47 -5.072 4.035 -0.849 367 HB2 ALA 47 1HB ALA 47 -5.484 4.753 0.709 368 HB3 ALA 47 2HB ALA 47 -5.783 5.647 -0.782 369 H TRP 48 H TRP 48 -7.122 3.422 2.053 370 HA TRP 48 HA TRP 48 -6.220 0.752 1.849 371 HB2 TRP 48 2HB TRP 48 -6.045 2.278 3.868 372 HB3 TRP 48 3HB TRP 48 -7.743 1.939 4.180 373 HD1 TRP 48 HD1 TRP 48 -4.335 0.142 4.031 374 HE1 TRP 48 HE1 TRP 48 -4.457 -1.952 5.512 375 HE3 TRP 48 HE3 TRP 48 -9.288 0.316 5.293 376 HZ2 TRP 48 HZ2 TRP 48 -6.384 -3.353 7.016 377 HZ3 TRP 48 HZ3 TRP 48 -10.191 -1.440 6.761 378 HH2 TRP 48 HH2 TRP 48 -8.769 -3.237 7.604 379 H GLN 49 H GLN 49 -9.459 2.121 2.367 380 HA GLN 49 HA GLN 49 -10.869 -0.302 2.607 381 HB2 GLN 49 2HB GLN 49 -11.775 1.945 3.201 382 HB3 GLN 49 3HB GLN 49 -11.887 2.325 1.488 383 HG2 GLN 49 2HG GLN 49 -14.055 1.691 2.356 384 HG3 GLN 49 3HG GLN 49 -13.492 0.499 1.186 385 HE21 GLN 49 1HE2 GLN 49 -12.289 0.679 4.481 386 HE22 GLN 49 2HE2 GLN 49 -13.004 -0.803 5.010 387 H GLN 50 H GLN 50 -10.223 1.731 -0.236 388 HA GLN 50 HA GLN 50 -11.564 0.137 -2.131 389 HB2 GLN 50 2HB GLN 50 -9.221 2.024 -2.482 390 HB3 GLN 50 3HB GLN 50 -10.144 1.327 -3.807 391 HG2 GLN 50 2HG GLN 50 -12.144 2.470 -3.081 392 HG3 GLN 50 3HG GLN 50 -11.314 3.082 -1.652 393 HE21 GLN 50 1HE2 GLN 50 -8.854 3.672 -3.094 394 HE22 GLN 50 2HE2 GLN 50 -9.171 5.070 -4.052 395 H LEU 51 H LEU 51 -8.268 -0.006 -0.862 396 HA LEU 51 HA LEU 51 -7.239 -1.886 -2.708 397 HB2 LEU 51 2HB LEU 51 -5.804 -0.505 -1.288 398 HB3 LEU 51 3HB LEU 51 -6.409 -1.317 0.144 399 HG LEU 51 HG LEU 51 -5.382 -3.425 -0.608 400 HD11 LEU 51 1HD1 LEU 51 -4.340 -1.780 -2.918 401 HD12 LEU 51 2HD1 LEU 51 -5.494 -3.116 -3.007 402 HD13 LEU 51 3HD1 LEU 51 -3.828 -3.418 -2.516 403 HD21 LEU 51 3HD2 LEU 51 -3.038 -2.787 -0.273 404 HD22 LEU 51 1HD2 LEU 51 -4.104 -1.948 0.854 405 HD23 LEU 51 2HD2 LEU 51 -3.456 -1.093 -0.549 406 H LYS 52 H LYS 52 -8.456 -2.385 0.637 407 HA LYS 52 HA LYS 52 -8.225 -5.186 0.600 408 HB2 LYS 52 2HB LYS 52 -9.617 -5.227 2.555 409 HB3 LYS 52 3HB LYS 52 -8.570 -3.819 2.658 410 HG2 LYS 52 2HG LYS 52 -10.451 -2.403 1.903 411 HG3 LYS 52 3HG LYS 52 -11.489 -3.831 1.888 412 HD2 LYS 52 2HD LYS 52 -10.070 -2.692 4.305 413 HD3 LYS 52 3HD LYS 52 -11.788 -2.529 3.947 414 HE2 LYS 52 2HE LYS 52 -10.367 -5.160 4.389 415 HE3 LYS 52 3HE LYS 52 -11.274 -4.293 5.626 416 HZ1 LYS 52 3HZ LYS 52 -12.420 -5.288 3.073 417 HZ2 LYS 52 1HZ LYS 52 -13.267 -4.542 4.330 418 HZ3 LYS 52 2HZ LYS 52 -12.569 -6.060 4.568 419 H ASP 53 H ASP 53 -10.887 -3.072 -0.360 420 HA ASP 53 HA ASP 53 -12.856 -4.985 -0.844 421 HB2 ASP 53 2HB ASP 53 -13.308 -2.590 -0.826 422 HB3 ASP 53 3HB ASP 53 -12.319 -2.365 -2.264 423 H GLU 54 H GLU 54 -10.242 -3.848 -2.979 424 HA GLU 54 HA GLU 54 -10.955 -5.394 -5.244 425 HB2 GLU 54 2HB GLU 54 -8.309 -4.253 -4.329 426 HB3 GLU 54 3HB GLU 54 -8.501 -5.103 -5.857 427 HG2 GLU 54 2HG GLU 54 -10.021 -2.623 -5.068 428 HG3 GLU 54 3HG GLU 54 -8.571 -2.647 -6.071 429 H LEU 55 H LEU 55 -8.757 -6.067 -2.528 430 HA LEU 55 HA LEU 55 -7.868 -8.592 -3.451 431 HB2 LEU 55 2HB LEU 55 -8.013 -7.448 -0.658 432 HB3 LEU 55 3HB LEU 55 -7.183 -8.940 -1.067 433 HG LEU 55 HG LEU 55 -6.463 -6.207 -2.166 434 HD11 LEU 55 1HD1 LEU 55 -6.004 -6.392 0.239 435 HD12 LEU 55 2HD1 LEU 55 -4.519 -6.320 -0.708 436 HD13 LEU 55 3HD1 LEU 55 -5.073 -7.862 -0.053 437 HD21 LEU 55 3HD2 LEU 55 -5.906 -8.023 -3.702 438 HD22 LEU 55 1HD2 LEU 55 -5.068 -8.883 -2.409 439 HD23 LEU 55 2HD2 LEU 55 -4.444 -7.337 -2.993 440 H GLU 56 H GLU 56 -10.667 -7.641 -1.516 441 HA GLU 56 HA GLU 56 -11.511 -10.334 -0.950 442 HB2 GLU 56 2HB GLU 56 -13.078 -7.736 -0.858 443 HB3 GLU 56 3HB GLU 56 -13.615 -9.275 -0.195 444 HG2 GLU 56 2HG GLU 56 -11.740 -9.254 1.381 445 HG3 GLU 56 3HG GLU 56 -11.193 -7.719 0.713 446 H ALA 57 H ALA 57 -12.163 -7.962 -3.464 447 HA ALA 57 HA ALA 57 -14.212 -9.354 -4.828 448 HB1 ALA 57 3HB ALA 57 -12.145 -7.466 -5.969 449 HB2 ALA 57 1HB ALA 57 -13.671 -6.986 -5.224 450 HB3 ALA 57 2HB ALA 57 -13.675 -7.920 -6.719 451 H LYS 58 H LYS 58 -10.685 -9.462 -5.070 452 HA LYS 58 HA LYS 58 -10.707 -11.531 -7.102 453 HB2 LYS 58 2HB LYS 58 -8.404 -10.522 -5.406 454 HB3 LYS 58 3HB LYS 58 -8.278 -11.482 -6.876 455 HG2 LYS 58 2HG LYS 58 -9.047 -9.666 -8.222 456 HG3 LYS 58 3HG LYS 58 -9.492 -8.722 -6.797 457 HD2 LYS 58 2HD LYS 58 -7.084 -8.694 -6.139 458 HD3 LYS 58 3HD LYS 58 -6.700 -9.499 -7.663 459 HE2 LYS 58 2HE LYS 58 -8.063 -6.812 -7.412 460 HE3 LYS 58 3HE LYS 58 -6.349 -7.049 -7.742 461 HZ1 LYS 58 3HZ LYS 58 -6.986 -8.253 -9.772 462 HZ2 LYS 58 1HZ LYS 58 -7.512 -6.645 -9.775 463 HZ3 LYS 58 2HZ LYS 58 -8.609 -7.888 -9.465 464 H HIS 59 H HIS 59 -11.820 -13.255 -6.191 465 HA HIS 59 HA HIS 59 -11.621 -13.974 -3.462 466 HB2 HIS 59 2HB HIS 59 -12.859 -15.395 -5.819 467 HB3 HIS 59 3HB HIS 59 -13.009 -15.960 -4.155 468 HD1 HIS 59 HD1 HIS 59 -14.289 -14.326 -2.495 469 HD2 HIS 59 HD2 HIS 59 -14.620 -13.394 -6.527 470 HE1 HIS 59 HE1 HIS 59 -16.205 -12.727 -2.655 471 HE2 HIS 59 HE2 HIS 59 -16.513 -12.336 -5.112 472 H TRP 60 H TRP 60 -9.356 -14.617 -5.817 473 HA TRP 60 HA TRP 60 -8.611 -17.219 -4.704 474 HB2 TRP 60 2HB TRP 60 -6.871 -17.265 -6.467 475 HB3 TRP 60 3HB TRP 60 -8.493 -17.069 -7.111 476 HD1 TRP 60 HD1 TRP 60 -9.126 -14.519 -7.992 477 HE1 TRP 60 HE1 TRP 60 -7.600 -12.758 -9.089 478 HE3 TRP 60 HE3 TRP 60 -4.586 -16.358 -6.524 479 HZ2 TRP 60 HZ2 TRP 60 -4.837 -12.230 -9.309 480 HZ3 TRP 60 HZ3 TRP 60 -2.551 -15.166 -7.223 481 HH2 TRP 60 HH2 TRP 60 -2.676 -13.144 -8.586 482 H ILE 61 H ILE 61 -8.123 -14.089 -3.846 483 HA ILE 61 HA ILE 61 -5.410 -14.391 -2.825 484 HB ILE 61 HB ILE 61 -7.486 -12.210 -2.612 485 HG12 ILE 61 2HG1 ILE 61 -5.765 -10.822 -3.661 486 HG13 ILE 61 3HG1 ILE 61 -4.615 -12.151 -3.595 487 HG21 ILE 61 1HG2 ILE 61 -4.913 -12.365 -1.037 488 HG22 ILE 61 2HG2 ILE 61 -6.555 -12.317 -0.393 489 HG23 ILE 61 3HG2 ILE 61 -5.890 -10.909 -1.219 490 HD11 ILE 61 3HD1 ILE 61 -7.158 -12.123 -5.198 491 HD12 ILE 61 1HD1 ILE 61 -5.952 -13.407 -5.176 492 HD13 ILE 61 2HD1 ILE 61 -5.539 -11.820 -5.826 493 H ALA 62 H ALA 62 -4.889 -15.172 -0.833 494 HA ALA 62 HA ALA 62 -6.979 -16.268 0.838 495 HB1 ALA 62 3HB ALA 62 -4.910 -17.521 0.429 496 HB2 ALA 62 1HB ALA 62 -5.156 -17.221 2.151 497 HB3 ALA 62 2HB ALA 62 -3.984 -16.261 1.247 498 H GLU 63 H GLU 63 -7.055 -15.912 3.195 499 HA GLU 63 HA GLU 63 -7.388 -13.215 3.868 500 HB2 GLU 63 2HB GLU 63 -8.587 -14.950 5.065 501 HB3 GLU 63 3HB GLU 63 -7.081 -15.618 5.684 502 HG2 GLU 63 2HG GLU 63 -6.690 -13.558 6.957 503 HG3 GLU 63 3HG GLU 63 -8.197 -12.889 6.336 504 H ALA 64 H ALA 64 -4.815 -15.438 5.014 505 HA ALA 64 HA ALA 64 -3.377 -13.642 6.549 506 HB1 ALA 64 3HB ALA 64 -2.222 -15.871 4.876 507 HB2 ALA 64 1HB ALA 64 -2.956 -16.063 6.468 508 HB3 ALA 64 2HB ALA 64 -1.475 -15.124 6.289 509 H ASP 65 H ASP 65 -3.053 -14.255 3.059 510 HA ASP 65 HA ASP 65 -0.900 -12.493 2.604 511 HB2 ASP 65 2HB ASP 65 -3.068 -13.468 0.733 512 HB3 ASP 65 3HB ASP 65 -1.638 -12.578 0.214 513 H ARG 66 H ARG 66 -4.433 -11.960 2.185 514 HA ARG 66 HA ARG 66 -4.181 -9.301 1.281 515 HB2 ARG 66 2HB ARG 66 -6.520 -9.078 1.526 516 HB3 ARG 66 3HB ARG 66 -6.268 -10.776 1.151 517 HG2 ARG 66 2HG ARG 66 -6.569 -11.365 3.490 518 HG3 ARG 66 3HG ARG 66 -6.738 -9.661 3.916 519 HD2 ARG 66 2HD ARG 66 -8.713 -9.605 2.313 520 HD3 ARG 66 3HD ARG 66 -8.608 -11.366 2.276 521 HE ARG 66 HE ARG 66 -8.718 -10.626 4.948 522 HH11 ARG 66 1HH1 ARG 66 -10.755 -10.504 2.169 523 HH12 ARG 66 2HH1 ARG 66 -12.201 -10.410 3.105 524 HH21 ARG 66 1HH2 ARG 66 -10.607 -10.520 6.127 525 HH22 ARG 66 2HH2 ARG 66 -12.125 -10.419 5.304 526 H ILE 67 H ILE 67 -4.451 -10.641 4.542 527 HA ILE 67 HA ILE 67 -4.801 -8.133 5.847 528 HB ILE 67 HB ILE 67 -3.836 -10.771 6.979 529 HG12 ILE 67 2HG1 ILE 67 -6.065 -10.950 6.004 530 HG13 ILE 67 3HG1 ILE 67 -6.181 -10.999 7.758 531 HG21 ILE 67 1HG2 ILE 67 -4.855 -8.307 8.403 532 HG22 ILE 67 2HG2 ILE 67 -3.205 -8.928 8.437 533 HG23 ILE 67 3HG2 ILE 67 -4.511 -9.862 9.162 534 HD11 ILE 67 3HD1 ILE 67 -6.874 -8.653 7.770 535 HD12 ILE 67 1HD1 ILE 67 -7.952 -9.656 6.802 536 HD13 ILE 67 2HD1 ILE 67 -6.767 -8.619 6.009 537 H ASN 68 H ASN 68 -1.938 -10.162 5.224 538 HA ASN 68 HA ASN 68 -0.030 -8.703 6.629 539 HB2 ASN 68 2HB ASN 68 0.529 -10.830 5.613 540 HB3 ASN 68 3HB ASN 68 0.243 -10.185 4.000 541 HD21 ASN 68 1HD2 ASN 68 1.775 -8.834 3.075 542 HD22 ASN 68 2HD2 ASN 68 3.371 -8.669 3.709 543 H VAL 69 H VAL 69 -0.958 -8.287 3.189 544 HA VAL 69 HA VAL 69 0.679 -6.005 2.791 545 HB VAL 69 HB VAL 69 -0.569 -5.644 0.701 546 HG11 VAL 69 1HG1 VAL 69 1.252 -7.259 0.728 547 HG12 VAL 69 2HG1 VAL 69 -0.024 -7.786 -0.370 548 HG13 VAL 69 3HG1 VAL 69 0.136 -8.537 1.220 549 HG21 VAL 69 3HG2 VAL 69 -2.376 -7.182 0.054 550 HG22 VAL 69 1HG2 VAL 69 -2.815 -6.211 1.459 551 HG23 VAL 69 2HG2 VAL 69 -2.338 -7.897 1.666 552 H LEU 70 H LEU 70 -2.681 -6.347 3.851 553 HA LEU 70 HA LEU 70 -3.361 -3.595 3.678 554 HB2 LEU 70 2HB LEU 70 -4.498 -5.853 5.320 555 HB3 LEU 70 3HB LEU 70 -5.149 -4.224 5.388 556 HG LEU 70 HG LEU 70 -5.024 -5.958 2.912 557 HD11 LEU 70 1HD1 LEU 70 -6.634 -6.795 4.534 558 HD12 LEU 70 2HD1 LEU 70 -7.455 -6.096 3.137 559 HD13 LEU 70 3HD1 LEU 70 -7.370 -5.195 4.652 560 HD21 LEU 70 3HD2 LEU 70 -6.272 -3.239 3.347 561 HD22 LEU 70 1HD2 LEU 70 -6.409 -4.216 1.885 562 HD23 LEU 70 2HD2 LEU 70 -4.839 -3.583 2.380 563 H ASN 71 H ASN 71 -2.095 -5.549 6.388 564 HA ASN 71 HA ASN 71 -2.181 -3.492 8.318 565 HB2 ASN 71 2HB ASN 71 -0.455 -5.966 8.133 566 HB3 ASN 71 3HB ASN 71 -0.418 -4.876 9.513 567 HD21 ASN 71 1HD2 ASN 71 -1.179 -7.655 9.439 568 HD22 ASN 71 2HD2 ASN 71 -2.804 -7.734 10.015 569 H GLN 72 H GLN 72 0.573 -4.581 6.280 570 HA GLN 72 HA GLN 72 2.361 -2.592 7.176 571 HB2 GLN 72 2HB GLN 72 3.698 -3.106 5.182 572 HB3 GLN 72 3HB GLN 72 3.141 -4.570 5.978 573 HG2 GLN 72 2HG GLN 72 1.344 -4.764 4.299 574 HG3 GLN 72 3HG GLN 72 1.981 -3.341 3.482 575 HE21 GLN 72 1HE2 GLN 72 3.992 -5.824 4.946 576 HE22 GLN 72 2HE2 GLN 72 4.622 -6.435 3.458 577 H ALA 73 H ALA 73 0.018 -2.586 4.497 578 HA ALA 73 HA ALA 73 0.621 -0.033 3.472 579 HB1 ALA 73 3HB ALA 73 -2.061 -1.422 3.525 580 HB2 ALA 73 1HB ALA 73 -0.806 -1.649 2.305 581 HB3 ALA 73 2HB ALA 73 -1.599 -0.083 2.471 582 H THR 74 H THR 74 -1.499 -1.035 6.126 583 HA THR 74 HA THR 74 -2.768 1.382 6.701 584 HB THR 74 HB THR 74 -1.847 -0.726 8.686 585 HG1 THR 74 HG1 THR 74 -3.307 -1.670 7.323 586 HG21 THR 74 3HG2 THR 74 -3.586 0.173 10.171 587 HG22 THR 74 1HG2 THR 74 -3.927 1.450 9.003 588 HG23 THR 74 2HG2 THR 74 -2.361 1.391 9.814 589 H GLU 75 H GLU 75 0.311 0.131 8.004 590 HA GLU 75 HA GLU 75 0.949 2.335 9.610 591 HB2 GLU 75 2HB GLU 75 2.811 0.425 8.185 592 HB3 GLU 75 3HB GLU 75 3.299 1.543 9.451 593 HG2 GLU 75 2HG GLU 75 1.700 0.396 10.984 594 HG3 GLU 75 3HG GLU 75 1.414 -0.793 9.716 595 H VAL 76 H VAL 76 1.894 1.664 6.222 596 HA VAL 76 HA VAL 76 3.419 3.947 5.737 597 HB VAL 76 HB VAL 76 1.580 2.539 3.778 598 HG11 VAL 76 1HG1 VAL 76 3.945 4.348 3.259 599 HG12 VAL 76 2HG1 VAL 76 2.252 4.732 2.947 600 HG13 VAL 76 3HG1 VAL 76 3.048 3.452 2.032 601 HG21 VAL 76 3HG2 VAL 76 3.193 1.012 4.810 602 HG22 VAL 76 1HG2 VAL 76 4.515 2.089 4.357 603 HG23 VAL 76 2HG2 VAL 76 3.569 1.277 3.106 604 H ILE 77 H ILE 77 -0.089 3.518 5.318 605 HA ILE 77 HA ILE 77 -0.698 6.076 4.350 606 HB ILE 77 HB ILE 77 -2.383 4.129 5.931 607 HG12 ILE 77 2HG1 ILE 77 -2.280 4.783 2.969 608 HG13 ILE 77 3HG1 ILE 77 -1.605 3.343 3.724 609 HG21 ILE 77 1HG2 ILE 77 -3.316 6.357 6.224 610 HG22 ILE 77 2HG2 ILE 77 -4.350 5.392 5.169 611 HG23 ILE 77 3HG2 ILE 77 -3.286 6.621 4.480 612 HD11 ILE 77 3HD1 ILE 77 -3.856 2.660 4.399 613 HD12 ILE 77 1HD1 ILE 77 -3.708 2.841 2.652 614 HD13 ILE 77 2HD1 ILE 77 -4.519 4.087 3.600 615 H ASN 78 H ASN 78 -0.889 4.895 7.735 616 HA ASN 78 HA ASN 78 -1.537 7.463 8.801 617 HB2 ASN 78 2HB ASN 78 -0.474 4.969 10.145 618 HB3 ASN 78 3HB ASN 78 -0.951 6.423 11.018 619 HD21 ASN 78 1HD2 ASN 78 -2.045 3.644 9.301 620 HD22 ASN 78 2HD2 ASN 78 -3.725 3.840 9.642 621 H PHE 79 H PHE 79 1.478 5.921 7.997 622 HA PHE 79 HA PHE 79 3.219 7.609 9.479 623 HB2 PHE 79 2HB PHE 79 3.907 5.451 8.448 624 HB3 PHE 79 3HB PHE 79 3.734 6.174 6.854 625 HD1 PHE 79 HD2 PHE 79 5.637 6.388 10.030 626 HD2 PHE 79 HD1 PHE 79 5.508 7.397 5.892 627 HE1 PHE 79 HE2 PHE 79 7.976 7.140 10.145 628 HE2 PHE 79 HE1 PHE 79 7.849 8.144 6.001 629 HZ PHE 79 HZ PHE 79 9.087 8.018 8.125 630 H TRP 80 H TRP 80 2.055 7.736 6.103 631 HA TRP 80 HA TRP 80 3.247 10.172 5.385 632 HB2 TRP 80 2HB TRP 80 2.174 8.569 3.797 633 HB3 TRP 80 3HB TRP 80 0.597 9.064 4.402 634 HD1 TRP 80 HD1 TRP 80 3.541 10.367 2.307 635 HE1 TRP 80 HE1 TRP 80 2.724 12.344 0.886 636 HE3 TRP 80 HE3 TRP 80 -1.152 10.898 4.272 637 HZ2 TRP 80 HZ2 TRP 80 0.410 13.922 0.628 638 HZ3 TRP 80 HZ3 TRP 80 -2.606 12.667 3.375 639 HH2 TRP 80 HH2 TRP 80 -1.840 14.147 1.590 640 H GLN 81 H GLN 81 0.045 9.511 6.822 641 HA GLN 81 HA GLN 81 -0.842 12.184 6.950 642 HB2 GLN 81 2HB GLN 81 -2.303 10.200 7.280 643 HB3 GLN 81 3HB GLN 81 -1.535 9.916 8.835 644 HG2 GLN 81 2HG GLN 81 -2.366 12.053 9.660 645 HG3 GLN 81 3HG GLN 81 -3.101 12.387 8.092 646 HE21 GLN 81 1HE2 GLN 81 -4.369 12.204 10.695 647 HE22 GLN 81 2HE2 GLN 81 -5.568 10.969 10.554 648 H ASP 82 H ASP 82 1.060 10.239 9.223 649 HA ASP 82 HA ASP 82 1.267 12.034 11.354 650 HB2 ASP 82 2HB ASP 82 2.072 9.676 11.367 651 HB3 ASP 82 3HB ASP 82 3.396 10.142 10.310 652 H LEU 83 H LEU 83 3.336 11.669 8.490 653 HA LEU 83 HA LEU 83 5.095 13.800 8.964 654 HB2 LEU 83 2HB LEU 83 4.124 12.769 6.290 655 HB3 LEU 83 3HB LEU 83 5.586 13.701 6.570 656 HG LEU 83 HG LEU 83 5.056 10.915 7.618 657 HD11 LEU 83 1HD1 LEU 83 6.863 11.865 5.401 658 HD12 LEU 83 2HD1 LEU 83 5.381 10.927 5.214 659 HD13 LEU 83 3HD1 LEU 83 6.778 10.218 6.027 660 HD21 LEU 83 3HD2 LEU 83 7.539 12.629 7.792 661 HD22 LEU 83 1HD2 LEU 83 7.407 10.947 8.306 662 HD23 LEU 83 2HD2 LEU 83 6.477 12.195 9.134 663 H LYS 84 H LYS 84 1.895 13.734 7.473 664 HA LYS 84 HA LYS 84 1.876 16.418 6.551 665 HB2 LYS 84 2HB LYS 84 -0.358 14.496 7.226 666 HB3 LYS 84 3HB LYS 84 -0.646 16.097 6.556 667 HG2 LYS 84 2HG LYS 84 1.008 13.952 5.227 668 HG3 LYS 84 3HG LYS 84 -0.684 14.297 4.862 669 HD2 LYS 84 2HD LYS 84 1.608 16.250 4.562 670 HD3 LYS 84 3HD LYS 84 0.850 15.354 3.245 671 HE2 LYS 84 2HE LYS 84 -1.279 16.453 3.701 672 HE3 LYS 84 3HE LYS 84 -0.556 17.324 5.050 673 HZ1 LYS 84 3HZ LYS 84 -0.669 18.723 3.116 674 HZ2 LYS 84 1HZ LYS 84 0.190 17.596 2.191 675 HZ3 LYS 84 2HZ LYS 84 0.949 18.396 3.476 676 H ASN 85 H ASN 85 0.763 14.947 9.590 677 HA ASN 85 HA ASN 85 -0.374 17.242 10.742 678 HB2 ASN 85 2HB ASN 85 0.986 14.898 12.099 679 HB3 ASN 85 3HB ASN 85 -0.022 16.087 12.920 680 HD21 ASN 85 1HD2 ASN 85 -0.389 13.215 12.699 681 HD22 ASN 85 2HD2 ASN 85 -1.930 12.991 11.951 682 H GLN 86 H GLN 86 2.948 16.052 10.769 683 HA GLN 86 HA GLN 86 3.852 18.325 12.383 684 HB2 GLN 86 2HB GLN 86 5.333 15.901 11.335 685 HB3 GLN 86 3HB GLN 86 6.031 17.133 12.379 686 HG2 GLN 86 2HG GLN 86 4.465 16.559 14.148 687 HG3 GLN 86 3HG GLN 86 3.689 15.373 13.099 688 HE21 GLN 86 1HE2 GLN 86 4.756 13.443 12.651 689 HE22 GLN 86 2HE2 GLN 86 6.091 12.897 13.595 690 H ASN 87 H ASN 87 3.469 17.582 9.125 691 HA ASN 87 HA ASN 87 4.143 18.479 7.163 692 HB2 ASN 87 2HB ASN 87 5.014 20.793 8.915 693 HB3 ASN 87 3HB ASN 87 4.870 20.850 7.159 694 HD21 ASN 87 1HD2 ASN 87 3.175 20.789 10.158 695 HD22 ASN 87 2HD2 ASN 87 1.610 21.121 9.519 696 H LYS 88 H LYS 88 5.889 16.640 8.257 697 HA LYS 88 HA LYS 88 8.609 17.557 8.027 698 HB2 LYS 88 2HB LYS 88 7.402 14.785 8.164 699 HB3 LYS 88 3HB LYS 88 9.132 15.078 8.045 700 HG2 LYS 88 2HG LYS 88 9.047 16.328 10.166 701 HG3 LYS 88 3HG LYS 88 7.324 15.963 10.290 702 HD2 LYS 88 2HD LYS 88 7.778 13.598 10.427 703 HD3 LYS 88 3HD LYS 88 9.492 13.862 10.104 704 HE2 LYS 88 2HE LYS 88 7.983 14.818 12.540 705 HE3 LYS 88 3HE LYS 88 9.078 13.439 12.479 706 HZ1 LYS 88 3HZ LYS 88 10.222 15.323 13.374 707 HZ2 LYS 88 1HZ LYS 88 9.797 16.288 12.055 708 HZ3 LYS 88 2HZ LYS 88 10.866 14.997 11.847 709 H GLN 89 H GLN 89 9.130 18.351 6.032 710 HA GLN 89 HA GLN 89 8.340 17.064 3.592 711 HB2 GLN 89 2HB GLN 89 8.770 19.473 3.653 712 HB3 GLN 89 3HB GLN 89 10.444 19.182 4.101 713 HG2 GLN 89 2HG GLN 89 10.185 19.778 1.732 714 HG3 GLN 89 3HG GLN 89 10.892 18.180 1.948 715 HE21 GLN 89 1HE2 GLN 89 9.733 16.373 1.308 716 HE22 GLN 89 2HE2 GLN 89 8.310 16.484 0.336 717 H ILE 90 H ILE 90 9.023 14.926 3.790 718 HA ILE 90 HA ILE 90 11.929 14.470 3.896 719 HB ILE 90 HB ILE 90 11.384 12.135 4.512 720 HG12 ILE 90 2HG1 ILE 90 8.942 11.892 5.463 721 HG13 ILE 90 3HG1 ILE 90 8.558 13.160 4.305 722 HG21 ILE 90 1HG2 ILE 90 11.906 13.757 6.227 723 HG22 ILE 90 2HG2 ILE 90 10.671 12.643 6.814 724 HG23 ILE 90 3HG2 ILE 90 10.218 14.270 6.301 725 HD11 ILE 90 3HD1 ILE 90 9.321 11.752 2.485 726 HD12 ILE 90 1HD1 ILE 90 8.086 10.930 3.439 727 HD13 ILE 90 2HD1 ILE 90 9.786 10.494 3.631 728 H SER 91 H SER 91 12.644 12.433 2.706 729 HA SER 91 HA SER 91 11.558 12.511 -0.040 730 HB2 SER 91 2HB SER 91 13.730 11.743 -0.790 731 HB3 SER 91 3HB SER 91 13.971 13.110 0.296 732 HG SER 91 HG SER 91 15.307 11.751 1.223 733 H MET 92 H MET 92 11.645 10.445 -1.288 734 HA MET 92 HA MET 92 10.236 8.381 -0.031 735 HB2 MET 92 2HB MET 92 10.645 7.058 -2.058 736 HB3 MET 92 3HB MET 92 10.175 8.705 -2.450 737 HG2 MET 92 2HG MET 92 12.516 9.268 -2.894 738 HG3 MET 92 3HG MET 92 12.989 7.617 -2.499 739 HE1 MET 92 3HE MET 92 11.178 5.609 -5.376 740 HE2 MET 92 1HE MET 92 10.503 6.006 -3.795 741 HE3 MET 92 2HE MET 92 12.182 5.481 -3.932 742 H ALA 93 H ALA 93 13.696 8.854 -0.386 743 HA ALA 93 HA ALA 93 14.577 6.261 0.291 744 HB1 ALA 93 3HB ALA 93 15.937 8.913 0.785 745 HB2 ALA 93 1HB ALA 93 16.059 7.941 -0.681 746 HB3 ALA 93 2HB ALA 93 16.714 7.330 0.838 747 H GLU 94 H GLU 94 13.474 8.939 2.279 748 HA GLU 94 HA GLU 94 14.379 7.828 4.766 749 HB2 GLU 94 2HB GLU 94 12.336 9.989 4.212 750 HB3 GLU 94 3HB GLU 94 13.010 9.610 5.794 751 HG2 GLU 94 2HG GLU 94 15.266 10.162 4.915 752 HG3 GLU 94 3HG GLU 94 14.516 10.652 3.397 753 H ALA 95 H ALA 95 11.405 7.661 2.896 754 HA ALA 95 HA ALA 95 9.799 6.370 4.848 755 HB1 ALA 95 3HB ALA 95 8.849 7.422 2.852 756 HB2 ALA 95 1HB ALA 95 8.361 5.731 2.975 757 HB3 ALA 95 2HB ALA 95 9.622 6.205 1.835 758 H GLN 96 H GLN 96 11.936 5.117 2.293 759 HA GLN 96 HA GLN 96 11.591 2.380 2.664 760 HB2 GLN 96 2HB GLN 96 13.935 4.042 1.779 761 HB3 GLN 96 3HB GLN 96 14.113 2.303 1.971 762 HG2 GLN 96 2HG GLN 96 12.048 3.613 0.208 763 HG3 GLN 96 3HG GLN 96 13.617 3.028 -0.349 764 HE21 GLN 96 1HE2 GLN 96 10.929 2.167 -1.104 765 HE22 GLN 96 2HE2 GLN 96 10.847 0.477 -0.758 766 H GLY 97 H GLY 97 13.349 4.675 4.636 767 HA2 GLY 97 2HA GLY 97 14.951 2.923 6.138 768 HA3 GLY 97 3HA GLY 97 14.375 4.492 6.680 769 H LYS 98 H LYS 98 11.525 3.457 6.277 770 HA LYS 98 HA LYS 98 11.355 1.979 8.824 771 HB2 LYS 98 2HB LYS 98 10.155 4.275 8.347 772 HB3 LYS 98 3HB LYS 98 8.986 3.278 7.498 773 HG2 LYS 98 2HG LYS 98 9.755 2.956 10.400 774 HG3 LYS 98 3HG LYS 98 8.329 3.811 9.818 775 HD2 LYS 98 2HD LYS 98 7.499 1.711 8.820 776 HD3 LYS 98 3HD LYS 98 8.922 0.867 9.428 777 HE2 LYS 98 2HE LYS 98 8.251 1.442 11.733 778 HE3 LYS 98 3HE LYS 98 6.799 2.219 11.101 779 HZ1 LYS 98 3HZ LYS 98 6.071 0.096 10.231 780 HZ2 LYS 98 1HZ LYS 98 6.377 -0.035 11.887 781 HZ3 LYS 98 2HZ LYS 98 7.485 -0.654 10.774 782 H PHE 99 H PHE 99 10.288 1.917 5.437 783 HA PHE 99 HA PHE 99 9.092 -0.751 5.913 784 HB2 PHE 99 2HB PHE 99 8.270 1.269 3.810 785 HB3 PHE 99 3HB PHE 99 7.500 -0.283 4.123 786 HD1 PHE 99 HD2 PHE 99 6.337 -0.638 6.328 787 HD2 PHE 99 HD1 PHE 99 7.670 3.196 5.031 788 HE1 PHE 99 HE2 PHE 99 4.830 0.432 7.946 789 HE2 PHE 99 HE1 PHE 99 6.163 4.269 6.652 790 HZ PHE 99 HZ PHE 99 4.739 2.889 8.109 791 HA PRO 100 HA PRO 100 12.552 -1.355 2.848 792 HB2 PRO 100 2HB PRO 100 13.561 -3.619 3.932 793 HB3 PRO 100 3HB PRO 100 13.985 -2.015 4.542 794 HG2 PRO 100 2HG PRO 100 11.965 -3.963 5.606 795 HG3 PRO 100 3HG PRO 100 13.178 -3.019 6.491 796 HD2 PRO 100 2HD PRO 100 10.576 -2.264 6.334 797 HD3 PRO 100 3HD PRO 100 11.905 -1.090 6.434 798 H GLU 101 H GLU 101 10.025 -3.424 4.073 799 HA GLU 101 HA GLU 101 10.234 -5.386 1.969 800 HB2 GLU 101 2HB GLU 101 8.059 -4.928 4.026 801 HB3 GLU 101 3HB GLU 101 8.183 -6.330 2.970 802 HG2 GLU 101 2HG GLU 101 10.337 -6.907 4.015 803 HG3 GLU 101 3HG GLU 101 10.166 -5.525 5.097 804 H VAL 102 H VAL 102 8.946 -2.274 2.132 805 HA VAL 102 HA VAL 102 6.831 -2.840 0.164 806 HB VAL 102 HB VAL 102 7.361 -0.300 1.730 807 HG11 VAL 102 1HG1 VAL 102 5.068 -1.030 -0.099 808 HG12 VAL 102 2HG1 VAL 102 6.309 0.181 -0.414 809 HG13 VAL 102 3HG1 VAL 102 5.156 0.422 0.898 810 HG21 VAL 102 3HG2 VAL 102 5.236 -2.426 2.090 811 HG22 VAL 102 1HG2 VAL 102 5.327 -0.907 2.982 812 HG23 VAL 102 2HG2 VAL 102 6.594 -2.117 3.173 813 H VAL 103 H VAL 103 7.076 -2.310 -1.935 814 HA VAL 103 HA VAL 103 9.585 -1.071 -2.763 815 HB VAL 103 HB VAL 103 7.377 -2.271 -4.459 816 HG11 VAL 103 1HG1 VAL 103 10.213 -1.505 -5.198 817 HG12 VAL 103 2HG1 VAL 103 8.746 -0.668 -5.709 818 HG13 VAL 103 3HG1 VAL 103 9.054 -2.318 -6.252 819 HG21 VAL 103 3HG2 VAL 103 8.878 -4.219 -4.660 820 HG22 VAL 103 1HG2 VAL 103 8.371 -3.941 -2.993 821 HG23 VAL 103 2HG2 VAL 103 9.988 -3.468 -3.511 822 H PHE 104 H PHE 104 9.530 1.123 -2.608 823 HA PHE 104 HA PHE 104 7.172 2.636 -3.343 824 HB2 PHE 104 2HB PHE 104 9.925 3.439 -2.393 825 HB3 PHE 104 3HB PHE 104 8.729 4.626 -2.904 826 HD1 PHE 104 HD1 PHE 104 9.125 1.743 -0.566 827 HD2 PHE 104 HD2 PHE 104 7.268 5.494 -1.333 828 HE1 PHE 104 HE1 PHE 104 8.150 1.719 1.690 829 HE2 PHE 104 HE2 PHE 104 6.292 5.476 0.923 830 HZ PHE 104 HZ PHE 104 6.729 3.587 2.440 831 H SER 105 H SER 105 6.688 3.218 -5.344 832 HA SER 105 HA SER 105 8.572 2.843 -7.511 833 HB2 SER 105 2HB SER 105 6.215 2.187 -7.801 834 HB3 SER 105 3HB SER 105 5.710 3.858 -7.552 835 HG SER 105 HG SER 105 6.375 4.375 -9.518 836 H GLY 106 H GLY 106 9.836 4.372 -8.383 837 HA2 GLY 106 2HA GLY 106 9.162 7.221 -7.893 838 HA3 GLY 106 3HA GLY 106 10.805 6.607 -7.781 839 H SER 107 H SER 107 11.503 8.119 -9.371 840 HA SER 107 HA SER 107 10.494 7.620 -12.104 841 HB2 SER 107 2HB SER 107 11.303 9.921 -12.639 842 HB3 SER 107 3HB SER 107 10.053 9.904 -11.397 843 HG SER 107 HG SER 107 12.840 10.297 -11.094 844 H ASN 108 H ASN 108 11.886 6.009 -12.776 845 HA ASN 108 HA ASN 108 14.771 6.428 -12.639 846 HB2 ASN 108 2HB ASN 108 13.697 4.162 -12.322 847 HB3 ASN 108 3HB ASN 108 13.271 4.192 -14.031 848 HD21 ASN 108 1HD2 ASN 108 14.539 2.341 -14.386 849 HD22 ASN 108 2HD2 ASN 108 16.267 2.428 -14.443 850 H LEU 109 H LEU 109 12.156 6.590 -14.978 851 HA LEU 109 HA LEU 109 14.009 7.940 -16.822 852 HB2 LEU 109 2HB LEU 109 12.493 7.118 -18.714 853 HB3 LEU 109 3HB LEU 109 13.639 5.996 -18.029 854 HG LEU 109 HG LEU 109 11.455 4.970 -18.585 855 HD11 LEU 109 1HD1 LEU 109 12.098 4.920 -15.643 856 HD12 LEU 109 2HD1 LEU 109 12.864 3.943 -16.893 857 HD13 LEU 109 3HD1 LEU 109 11.155 3.718 -16.523 858 HD21 LEU 109 3HD2 LEU 109 9.982 6.845 -18.086 859 HD22 LEU 109 1HD2 LEU 109 10.346 6.686 -16.367 860 HD23 LEU 109 2HD2 LEU 109 9.490 5.395 -17.212 861 H GLU 110 H GLU 110 12.932 9.539 -18.289 862 HA GLU 110 HA GLU 110 11.234 11.173 -16.605 863 HB2 GLU 110 2HB GLU 110 12.423 11.781 -19.321 864 HB3 GLU 110 3HB GLU 110 11.635 12.943 -18.260 865 HG2 GLU 110 2HG GLU 110 13.393 12.471 -16.549 866 HG3 GLU 110 3HG GLU 110 14.217 11.471 -17.745 867 H HIS 111 H HIS 111 9.546 9.283 -17.047 868 HA HIS 111 HA HIS 111 7.677 10.430 -19.028 869 HB2 HIS 111 2HB HIS 111 8.109 7.520 -18.346 870 HB3 HIS 111 3HB HIS 111 6.631 8.090 -19.111 871 HD1 HIS 111 HD1 HIS 111 8.693 6.102 -20.437 872 HD2 HIS 111 HD2 HIS 111 8.433 10.185 -21.167 873 HE1 HIS 111 HE1 HIS 111 9.667 6.440 -22.720 874 HE2 HIS 111 HE2 HIS 111 9.405 8.896 -23.181 875 H HIS 112 H HIS 112 6.393 11.665 -17.764 876 HA HIS 112 HA HIS 112 5.019 10.324 -15.510 877 HB2 HIS 112 2HB HIS 112 5.451 13.309 -15.829 878 HB3 HIS 112 3HB HIS 112 4.745 12.486 -14.444 879 HD1 HIS 112 HD1 HIS 112 6.331 11.700 -12.644 880 HD2 HIS 112 HD2 HIS 112 8.304 12.871 -16.108 881 HE1 HIS 112 HE1 HIS 112 8.767 11.723 -12.053 882 HE2 HIS 112 HE2 HIS 112 9.920 12.588 -14.109 883 H HIS 113 H HIS 113 2.803 10.345 -15.501 884 HA HIS 113 HA HIS 113 1.436 11.946 -17.564 885 HB2 HIS 113 2HB HIS 113 -0.189 9.997 -17.815 886 HB3 HIS 113 3HB HIS 113 1.412 9.772 -18.507 887 HD1 HIS 113 HD1 HIS 113 2.740 7.790 -17.717 888 HD2 HIS 113 HD2 HIS 113 -0.625 8.496 -15.378 889 HE1 HIS 113 HE1 HIS 113 2.566 5.819 -16.175 890 HE2 HIS 113 HE2 HIS 113 0.434 6.188 -14.898 891 H HIS 114 H HIS 114 -0.088 13.227 -16.752 892 HA HIS 114 HA HIS 114 -0.563 13.413 -13.981 893 HB2 HIS 114 2HB HIS 114 -2.262 14.612 -16.179 894 HB3 HIS 114 3HB HIS 114 -2.111 15.190 -14.521 895 HD1 HIS 114 HD1 HIS 114 0.515 15.917 -13.909 896 HD2 HIS 114 HD2 HIS 114 -0.617 15.884 -17.906 897 HE1 HIS 114 HE1 HIS 114 2.224 17.308 -15.105 898 HE2 HIS 114 HE2 HIS 114 1.599 17.159 -17.533 899 H HIS 115 H HIS 115 -2.621 12.134 -16.589 900 HA HIS 115 HA HIS 115 -4.100 10.614 -14.532 901 HB2 HIS 115 2HB HIS 115 -6.064 10.590 -16.028 902 HB3 HIS 115 3HB HIS 115 -5.611 12.232 -15.595 903 HD1 HIS 115 HD1 HIS 115 -5.413 13.830 -17.494 904 HD2 HIS 115 HD2 HIS 115 -5.112 9.878 -18.752 905 HE1 HIS 115 HE1 HIS 115 -5.340 13.925 -19.997 906 HE2 HIS 115 HE2 HIS 115 -5.341 11.524 -20.736 907 H HIS 116 H HIS 116 -4.822 8.436 -15.261 908 HA HIS 116 HA HIS 116 -2.759 7.270 -16.987 909 HB2 HIS 116 2HB HIS 116 -3.324 5.112 -16.023 910 HB3 HIS 116 3HB HIS 116 -3.002 6.286 -14.759 911 HD1 HIS 116 HD1 HIS 116 -5.210 7.208 -13.483 912 HD2 HIS 116 HD2 HIS 116 -5.711 3.813 -15.823 913 HE1 HIS 116 HE1 HIS 116 -7.345 6.156 -12.698 914 HE2 HIS 116 HE2 HIS 116 -7.708 4.205 -14.232 Start of MODEL 18 1 H1 MET 1 1H MET 1 5.582 -30.286 -2.938 2 H2 MET 1 2H MET 1 4.703 -30.153 -4.375 3 H3 MET 1 3H MET 1 6.030 -29.145 -4.102 4 HA MET 1 HA MET 1 7.538 -30.997 -4.159 5 HB2 MET 1 2HB MET 1 6.713 -33.242 -4.786 6 HB3 MET 1 3HB MET 1 6.069 -32.701 -3.242 7 HG2 MET 1 2HG MET 1 3.964 -32.077 -4.382 8 HG3 MET 1 3HG MET 1 4.619 -32.729 -5.884 9 HE1 MET 1 3HE MET 1 3.690 -35.268 -2.136 10 HE2 MET 1 1HE MET 1 3.373 -33.536 -2.256 11 HE3 MET 1 2HE MET 1 5.034 -34.128 -2.207 12 H ALA 2 H ALA 2 8.645 -30.551 -5.963 13 HA ALA 2 HA ALA 2 9.110 -29.804 -8.067 14 HB1 ALA 2 3HB ALA 2 8.732 -32.176 -8.540 15 HB2 ALA 2 1HB ALA 2 8.231 -31.172 -9.897 16 HB3 ALA 2 2HB ALA 2 7.018 -31.857 -8.813 17 H ALA 3 H ALA 3 7.982 -27.783 -7.242 18 HA ALA 3 HA ALA 3 6.697 -25.950 -7.573 19 HB1 ALA 3 3HB ALA 3 5.611 -25.572 -9.699 20 HB2 ALA 3 1HB ALA 3 5.756 -27.282 -10.113 21 HB3 ALA 3 2HB ALA 3 7.203 -26.284 -9.961 22 H SER 4 H SER 4 4.567 -28.462 -8.950 23 HA SER 4 HA SER 4 2.412 -29.033 -8.556 24 HB2 SER 4 2HB SER 4 1.887 -29.683 -6.205 25 HB3 SER 4 3HB SER 4 3.418 -30.325 -6.787 26 HG SER 4 HG SER 4 3.052 -29.004 -4.589 27 H THR 5 H THR 5 2.661 -27.028 -5.623 28 HA THR 5 HA THR 5 0.151 -25.726 -6.284 29 HB THR 5 HB THR 5 2.006 -25.332 -3.918 30 HG1 THR 5 HG1 THR 5 0.614 -26.656 -2.857 31 HG21 THR 5 3HG2 THR 5 0.143 -24.090 -2.887 32 HG22 THR 5 1HG2 THR 5 -0.772 -24.213 -4.389 33 HG23 THR 5 2HG2 THR 5 0.724 -23.281 -4.342 34 H VAL 6 H VAL 6 0.144 -24.088 -7.714 35 HA VAL 6 HA VAL 6 2.421 -22.560 -8.396 36 HB VAL 6 HB VAL 6 0.657 -22.851 -10.016 37 HG11 VAL 6 1HG1 VAL 6 -1.267 -22.975 -8.530 38 HG12 VAL 6 2HG1 VAL 6 -1.542 -21.784 -9.800 39 HG13 VAL 6 3HG1 VAL 6 -1.124 -21.254 -8.171 40 HG21 VAL 6 3HG2 VAL 6 2.024 -20.825 -10.196 41 HG22 VAL 6 1HG2 VAL 6 0.848 -19.940 -9.223 42 HG23 VAL 6 2HG2 VAL 6 0.393 -20.557 -10.813 43 H HIS 7 H HIS 7 3.304 -21.666 -6.544 44 HA HIS 7 HA HIS 7 1.820 -19.988 -4.767 45 HB2 HIS 7 2HB HIS 7 4.788 -20.437 -5.126 46 HB3 HIS 7 3HB HIS 7 4.125 -19.352 -3.909 47 HD1 HIS 7 HD1 HIS 7 4.349 -23.004 -4.793 48 HD2 HIS 7 HD2 HIS 7 3.077 -20.594 -1.654 49 HE1 HIS 7 HE1 HIS 7 3.957 -24.560 -2.865 50 HE2 HIS 7 HE2 HIS 7 3.049 -23.102 -1.030 51 H THR 8 H THR 8 0.879 -18.261 -5.709 52 HA THR 8 HA THR 8 2.585 -16.359 -7.188 53 HB THR 8 HB THR 8 -0.445 -16.403 -6.958 54 HG1 THR 8 HG1 THR 8 0.850 -18.057 -8.305 55 HG21 THR 8 3HG2 THR 8 0.428 -14.140 -7.305 56 HG22 THR 8 1HG2 THR 8 -0.381 -14.723 -8.759 57 HG23 THR 8 2HG2 THR 8 1.379 -14.705 -8.680 58 H SER 9 H SER 9 3.607 -15.165 -5.657 59 HA SER 9 HA SER 9 2.378 -14.450 -3.157 60 HB2 SER 9 2HB SER 9 4.989 -13.479 -4.348 61 HB3 SER 9 3HB SER 9 4.493 -13.312 -2.665 62 HG SER 9 HG SER 9 5.872 -15.104 -2.937 63 H PHE 10 H PHE 10 2.639 -12.070 -2.392 64 HA PHE 10 HA PHE 10 1.605 -10.254 -4.482 65 HB2 PHE 10 2HB PHE 10 0.575 -10.451 -1.638 66 HB3 PHE 10 3HB PHE 10 -0.036 -9.384 -2.900 67 HD1 PHE 10 HD1 PHE 10 -1.152 -10.391 -4.913 68 HD2 PHE 10 HD2 PHE 10 -0.174 -12.690 -1.462 69 HE1 PHE 10 HE1 PHE 10 -2.705 -12.149 -5.645 70 HE2 PHE 10 HE2 PHE 10 -1.729 -14.452 -2.189 71 HZ PHE 10 HZ PHE 10 -2.995 -14.186 -4.286 72 H ILE 11 H ILE 11 2.290 -8.144 -4.417 73 HA ILE 11 HA ILE 11 4.230 -7.416 -2.300 74 HB ILE 11 HB ILE 11 4.466 -6.717 -5.238 75 HG12 ILE 11 2HG1 ILE 11 6.082 -8.677 -3.575 76 HG13 ILE 11 3HG1 ILE 11 4.951 -9.098 -4.857 77 HG21 ILE 11 1HG2 ILE 11 5.375 -4.984 -3.775 78 HG22 ILE 11 2HG2 ILE 11 6.669 -5.818 -4.634 79 HG23 ILE 11 3HG2 ILE 11 6.357 -6.188 -2.938 80 HD11 ILE 11 3HD1 ILE 11 6.378 -7.969 -6.488 81 HD12 ILE 11 1HD1 ILE 11 7.244 -9.242 -5.629 82 HD13 ILE 11 2HD1 ILE 11 7.513 -7.554 -5.202 83 H LEU 12 H LEU 12 3.864 -5.496 -1.329 84 HA LEU 12 HA LEU 12 1.725 -3.777 -2.307 85 HB2 LEU 12 2HB LEU 12 1.850 -4.360 0.080 86 HB3 LEU 12 3HB LEU 12 3.417 -3.578 0.190 87 HG LEU 12 HG LEU 12 2.319 -1.409 -0.422 88 HD11 LEU 12 1HD1 LEU 12 0.357 -2.303 -1.568 89 HD12 LEU 12 2HD1 LEU 12 -0.109 -1.224 -0.255 90 HD13 LEU 12 3HD1 LEU 12 -0.238 -2.971 -0.046 91 HD21 LEU 12 3HD2 LEU 12 2.807 -1.989 1.904 92 HD22 LEU 12 1HD2 LEU 12 1.227 -2.762 2.044 93 HD23 LEU 12 2HD2 LEU 12 1.338 -1.021 1.772 94 H LYS 13 H LYS 13 2.022 -1.945 -3.411 95 HA LYS 13 HA LYS 13 4.695 -0.685 -3.442 96 HB2 LYS 13 2HB LYS 13 2.577 -0.637 -5.604 97 HB3 LYS 13 3HB LYS 13 4.127 0.190 -5.676 98 HG2 LYS 13 2HG LYS 13 5.289 -1.959 -5.638 99 HG3 LYS 13 3HG LYS 13 3.739 -2.799 -5.538 100 HD2 LYS 13 2HD LYS 13 4.676 -1.044 -7.817 101 HD3 LYS 13 3HD LYS 13 4.572 -2.806 -7.831 102 HE2 LYS 13 2HE LYS 13 2.135 -2.636 -7.462 103 HE3 LYS 13 3HE LYS 13 2.266 -0.879 -7.532 104 HZ1 LYS 13 3HZ LYS 13 3.122 -2.651 -9.744 105 HZ2 LYS 13 1HZ LYS 13 2.897 -0.973 -9.790 106 HZ3 LYS 13 2HZ LYS 13 1.567 -2.009 -9.633 107 H VAL 14 H VAL 14 4.833 1.546 -3.281 108 HA VAL 14 HA VAL 14 2.353 3.027 -2.693 109 HB VAL 14 HB VAL 14 4.951 3.224 -1.139 110 HG11 VAL 14 1HG1 VAL 14 3.884 5.416 -1.395 111 HG12 VAL 14 2HG1 VAL 14 3.789 4.852 0.271 112 HG13 VAL 14 3HG1 VAL 14 2.370 4.759 -0.771 113 HG21 VAL 14 3HG2 VAL 14 3.651 2.397 0.759 114 HG22 VAL 14 1HG2 VAL 14 3.630 1.236 -0.567 115 HG23 VAL 14 2HG2 VAL 14 2.221 2.254 -0.263 116 H LEU 15 H LEU 15 2.167 4.440 -4.321 117 HA LEU 15 HA LEU 15 4.454 5.684 -5.591 118 HB2 LEU 15 2HB LEU 15 2.172 4.978 -6.645 119 HB3 LEU 15 3HB LEU 15 1.578 6.492 -6.002 120 HG LEU 15 HG LEU 15 3.849 6.224 -7.990 121 HD11 LEU 15 1HD1 LEU 15 0.994 7.115 -8.418 122 HD12 LEU 15 2HD1 LEU 15 1.688 5.582 -8.951 123 HD13 LEU 15 3HD1 LEU 15 2.275 7.098 -9.633 124 HD21 LEU 15 3HD2 LEU 15 3.633 8.647 -8.254 125 HD22 LEU 15 1HD2 LEU 15 4.068 8.225 -6.598 126 HD23 LEU 15 2HD2 LEU 15 2.409 8.683 -6.985 127 H TRP 16 H TRP 16 5.464 7.339 -4.606 128 HA TRP 16 HA TRP 16 4.017 8.888 -2.577 129 HB2 TRP 16 2HB TRP 16 6.211 7.630 -2.123 130 HB3 TRP 16 3HB TRP 16 7.000 8.899 -3.052 131 HD1 TRP 16 HD1 TRP 16 6.900 11.428 -1.966 132 HE1 TRP 16 HE1 TRP 16 6.747 12.162 0.495 133 HE3 TRP 16 HE3 TRP 16 5.280 7.039 0.103 134 HZ2 TRP 16 HZ2 TRP 16 6.037 11.039 2.981 135 HZ3 TRP 16 HZ3 TRP 16 4.887 6.952 2.530 136 HH2 TRP 16 HH2 TRP 16 5.259 8.913 3.939 137 H LEU 17 H LEU 17 3.391 10.918 -2.971 138 HA LEU 17 HA LEU 17 4.860 12.529 -4.971 139 HB2 LEU 17 2HB LEU 17 1.881 12.512 -4.437 140 HB3 LEU 17 3HB LEU 17 2.698 13.642 -5.501 141 HG LEU 17 HG LEU 17 2.614 10.646 -5.917 142 HD11 LEU 17 1HD1 LEU 17 1.029 12.825 -7.278 143 HD12 LEU 17 2HD1 LEU 17 0.394 11.603 -6.176 144 HD13 LEU 17 3HD1 LEU 17 1.049 11.123 -7.739 145 HD21 LEU 17 3HD2 LEU 17 4.598 11.681 -6.893 146 HD22 LEU 17 1HD2 LEU 17 3.590 12.874 -7.715 147 HD23 LEU 17 2HD2 LEU 17 3.480 11.168 -8.155 148 H ASP 18 H ASP 18 4.128 14.974 -4.669 149 HA ASP 18 HA ASP 18 5.299 15.971 -2.390 150 HB2 ASP 18 2HB ASP 18 4.927 17.314 -4.392 151 HB3 ASP 18 3HB ASP 18 3.187 17.282 -4.120 152 H GLN 19 H GLN 19 1.758 16.101 -2.954 153 HA GLN 19 HA GLN 19 1.361 15.619 -0.071 154 HB2 GLN 19 2HB GLN 19 -0.043 17.659 -1.804 155 HB3 GLN 19 3HB GLN 19 -0.671 17.138 -0.245 156 HG2 GLN 19 2HG GLN 19 1.449 17.890 0.807 157 HG3 GLN 19 3HG GLN 19 1.961 18.518 -0.758 158 HE21 GLN 19 1HE2 GLN 19 0.973 20.367 -1.568 159 HE22 GLN 19 2HE2 GLN 19 -0.002 21.398 -0.581 160 H ASN 20 H ASN 20 1.287 13.804 -2.365 161 HA ASN 20 HA ASN 20 -1.358 12.651 -1.812 162 HB2 ASN 20 2HB ASN 20 -0.120 12.859 -4.576 163 HB3 ASN 20 3HB ASN 20 -1.539 11.893 -4.185 164 HD21 ASN 20 1HD2 ASN 20 -0.306 15.113 -4.613 165 HD22 ASN 20 2HD2 ASN 20 -1.840 15.901 -4.674 166 H VAL 21 H VAL 21 -1.397 10.357 -1.868 167 HA VAL 21 HA VAL 21 1.087 8.934 -2.445 168 HB VAL 21 HB VAL 21 1.424 9.446 -0.128 169 HG11 VAL 21 1HG1 VAL 21 -1.338 8.343 0.380 170 HG12 VAL 21 2HG1 VAL 21 -0.842 10.033 0.497 171 HG13 VAL 21 3HG1 VAL 21 -0.189 8.843 1.624 172 HG21 VAL 21 3HG2 VAL 21 1.517 7.227 0.892 173 HG22 VAL 21 1HG2 VAL 21 2.038 7.173 -0.794 174 HG23 VAL 21 2HG2 VAL 21 0.428 6.601 -0.348 175 H ALA 22 H ALA 22 0.673 7.079 -3.478 176 HA ALA 22 HA ALA 22 -2.083 6.009 -3.379 177 HB1 ALA 22 3HB ALA 22 -0.141 5.946 -5.688 178 HB2 ALA 22 1HB ALA 22 -1.523 7.029 -5.527 179 HB3 ALA 22 2HB ALA 22 -1.779 5.292 -5.693 180 H ILE 23 H ILE 23 -2.409 3.804 -3.235 181 HA ILE 23 HA ILE 23 0.003 2.121 -2.909 182 HB ILE 23 HB ILE 23 -1.317 0.686 -1.376 183 HG12 ILE 23 2HG1 ILE 23 -3.376 2.912 -1.547 184 HG13 ILE 23 3HG1 ILE 23 -3.575 1.273 -2.157 185 HG21 ILE 23 1HG2 ILE 23 0.196 2.375 -0.483 186 HG22 ILE 23 2HG2 ILE 23 -1.208 2.174 0.564 187 HG23 ILE 23 3HG2 ILE 23 -1.101 3.571 -0.508 188 HD11 ILE 23 3HD1 ILE 23 -3.433 0.407 0.124 189 HD12 ILE 23 1HD1 ILE 23 -4.744 1.573 -0.053 190 HD13 ILE 23 2HD1 ILE 23 -3.239 2.050 0.734 191 H ALA 24 H ALA 24 0.016 0.078 -3.815 192 HA ALA 24 HA ALA 24 -2.292 -1.054 -5.135 193 HB1 ALA 24 3HB ALA 24 -1.598 0.595 -6.812 194 HB2 ALA 24 1HB ALA 24 -1.361 -1.054 -7.397 195 HB3 ALA 24 2HB ALA 24 0.020 -0.108 -6.836 196 H VAL 25 H VAL 25 -1.939 -3.240 -5.822 197 HA VAL 25 HA VAL 25 0.556 -4.419 -4.766 198 HB VAL 25 HB VAL 25 -2.227 -5.618 -4.782 199 HG11 VAL 25 1HG1 VAL 25 -0.532 -7.339 -5.197 200 HG12 VAL 25 2HG1 VAL 25 -1.233 -7.520 -3.589 201 HG13 VAL 25 3HG1 VAL 25 0.368 -6.805 -3.777 202 HG21 VAL 25 3HG2 VAL 25 -2.043 -5.515 -2.343 203 HG22 VAL 25 1HG2 VAL 25 -1.898 -3.909 -3.056 204 HG23 VAL 25 2HG2 VAL 25 -0.458 -4.755 -2.486 205 H ASP 26 H ASP 26 1.741 -5.699 -6.068 206 HA ASP 26 HA ASP 26 0.578 -6.590 -8.633 207 HB2 ASP 26 2HB ASP 26 3.458 -6.157 -7.806 208 HB3 ASP 26 3HB ASP 26 3.000 -6.987 -9.289 209 H GLN 27 H GLN 27 0.734 -8.744 -9.262 210 HA GLN 27 HA GLN 27 1.192 -10.646 -7.074 211 HB2 GLN 27 2HB GLN 27 -0.071 -12.238 -8.395 212 HB3 GLN 27 3HB GLN 27 -0.966 -10.729 -8.295 213 HG2 GLN 27 2HG GLN 27 -0.244 -10.132 -10.548 214 HG3 GLN 27 3HG GLN 27 0.688 -11.625 -10.655 215 HE21 GLN 27 1HE2 GLN 27 -0.433 -13.605 -10.809 216 HE22 GLN 27 2HE2 GLN 27 -2.083 -13.670 -11.306 217 H ILE 28 H ILE 28 2.813 -12.147 -7.101 218 HA ILE 28 HA ILE 28 4.775 -12.005 -9.247 219 HB ILE 28 HB ILE 28 4.831 -13.646 -6.700 220 HG12 ILE 28 2HG1 ILE 28 6.156 -11.016 -7.426 221 HG13 ILE 28 3HG1 ILE 28 4.903 -11.256 -6.214 222 HG21 ILE 28 1HG2 ILE 28 7.223 -13.956 -7.195 223 HG22 ILE 28 2HG2 ILE 28 7.009 -13.116 -8.730 224 HG23 ILE 28 3HG2 ILE 28 6.200 -14.658 -8.449 225 HD11 ILE 28 3HD1 ILE 28 6.481 -12.644 -4.916 226 HD12 ILE 28 1HD1 ILE 28 7.035 -10.986 -5.142 227 HD13 ILE 28 2HD1 ILE 28 7.731 -12.287 -6.107 228 H VAL 29 H VAL 29 3.912 -13.007 -11.015 229 HA VAL 29 HA VAL 29 2.655 -15.596 -10.904 230 HB VAL 29 HB VAL 29 3.737 -14.140 -13.338 231 HG11 VAL 29 1HG1 VAL 29 3.218 -16.488 -13.752 232 HG12 VAL 29 2HG1 VAL 29 2.080 -15.433 -14.591 233 HG13 VAL 29 3HG1 VAL 29 1.591 -16.254 -13.108 234 HG21 VAL 29 3HG2 VAL 29 0.999 -13.926 -12.075 235 HG22 VAL 29 1HG2 VAL 29 1.461 -13.239 -13.632 236 HG23 VAL 29 2HG2 VAL 29 2.225 -12.658 -12.153 237 H GLY 30 H GLY 30 3.531 -17.557 -11.872 238 HA2 GLY 30 2HA GLY 30 6.155 -18.168 -11.101 239 HA3 GLY 30 3HA GLY 30 5.169 -19.141 -12.175 240 H LYS 31 H LYS 31 5.252 -16.347 -13.784 241 HA LYS 31 HA LYS 31 7.767 -16.985 -15.199 242 HB2 LYS 31 2HB LYS 31 5.223 -15.763 -16.303 243 HB3 LYS 31 3HB LYS 31 6.696 -16.023 -17.223 244 HG2 LYS 31 2HG LYS 31 5.268 -17.779 -17.823 245 HG3 LYS 31 3HG LYS 31 6.409 -18.496 -16.685 246 HD2 LYS 31 2HD LYS 31 4.803 -18.488 -14.932 247 HD3 LYS 31 3HD LYS 31 3.707 -17.447 -15.845 248 HE2 LYS 31 2HE LYS 31 2.921 -19.755 -15.846 249 HE3 LYS 31 3HE LYS 31 3.354 -19.227 -17.470 250 HZ1 LYS 31 3HZ LYS 31 5.377 -20.445 -17.359 251 HZ2 LYS 31 1HZ LYS 31 4.132 -21.490 -16.891 252 HZ3 LYS 31 2HZ LYS 31 5.154 -20.815 -15.724 253 H GLY 32 H GLY 32 6.297 -14.655 -13.256 254 HA2 GLY 32 2HA GLY 32 8.182 -12.787 -13.040 255 HA3 GLY 32 3HA GLY 32 7.433 -12.316 -14.559 256 H THR 33 H THR 33 7.286 -10.414 -12.773 257 HA THR 33 HA THR 33 4.897 -10.661 -11.117 258 HB THR 33 HB THR 33 5.381 -8.332 -10.399 259 HG1 THR 33 HG1 THR 33 6.422 -7.497 -12.222 260 HG21 THR 33 3HG2 THR 33 6.354 -10.194 -9.155 261 HG22 THR 33 1HG2 THR 33 7.474 -8.832 -9.196 262 HG23 THR 33 2HG2 THR 33 7.738 -10.222 -10.247 263 H SER 34 H SER 34 2.982 -9.625 -11.415 264 HA SER 34 HA SER 34 2.600 -7.950 -13.808 265 HB2 SER 34 2HB SER 34 1.943 -10.222 -14.468 266 HB3 SER 34 3HB SER 34 0.880 -10.341 -13.065 267 HG SER 34 HG SER 34 0.617 -8.630 -15.319 268 HA PRO 35 HA PRO 35 0.391 -5.322 -10.980 269 HB2 PRO 35 2HB PRO 35 -1.455 -4.261 -12.766 270 HB3 PRO 35 3HB PRO 35 0.190 -3.665 -12.528 271 HG2 PRO 35 2HG PRO 35 -0.871 -5.507 -14.636 272 HG3 PRO 35 3HG PRO 35 0.305 -4.189 -14.787 273 HD2 PRO 35 2HD PRO 35 1.095 -6.749 -14.730 274 HD3 PRO 35 3HD PRO 35 2.047 -5.477 -13.929 275 H LEU 36 H LEU 36 -1.024 -6.020 -9.500 276 HA LEU 36 HA LEU 36 -3.184 -7.843 -10.292 277 HB2 LEU 36 2HB LEU 36 -1.695 -8.508 -8.451 278 HB3 LEU 36 3HB LEU 36 -2.157 -7.074 -7.554 279 HG LEU 36 HG LEU 36 -4.504 -7.931 -7.483 280 HD11 LEU 36 1HD1 LEU 36 -4.413 -9.370 -9.453 281 HD12 LEU 36 2HD1 LEU 36 -4.931 -10.268 -8.027 282 HD13 LEU 36 3HD1 LEU 36 -3.280 -10.442 -8.627 283 HD21 LEU 36 3HD2 LEU 36 -2.388 -9.734 -6.300 284 HD22 LEU 36 1HD2 LEU 36 -4.071 -9.648 -5.778 285 HD23 LEU 36 2HD2 LEU 36 -3.017 -8.248 -5.586 286 H THR 37 H THR 37 -2.723 -4.821 -8.462 287 HA THR 37 HA THR 37 -5.579 -4.177 -8.929 288 HB THR 37 HB THR 37 -5.731 -3.035 -6.824 289 HG1 THR 37 HG1 THR 37 -3.857 -2.108 -6.338 290 HG21 THR 37 3HG2 THR 37 -5.321 -4.828 -5.192 291 HG22 THR 37 1HG2 THR 37 -4.324 -5.677 -6.375 292 HG23 THR 37 2HG2 THR 37 -6.049 -5.459 -6.669 293 H SER 38 H SER 38 -6.055 -1.847 -9.007 294 HA SER 38 HA SER 38 -4.046 -0.353 -10.451 295 HB2 SER 38 2HB SER 38 -6.419 -0.184 -11.092 296 HB3 SER 38 3HB SER 38 -6.803 0.502 -9.513 297 HG SER 38 HG SER 38 -6.539 2.125 -11.108 298 H TYR 39 H TYR 39 -3.863 2.099 -9.795 299 HA TYR 39 HA TYR 39 -2.729 2.102 -7.111 300 HB2 TYR 39 2HB TYR 39 -2.568 4.090 -9.385 301 HB3 TYR 39 3HB TYR 39 -1.834 4.362 -7.807 302 HD1 TYR 39 HD1 TYR 39 -1.701 2.299 -10.871 303 HD2 TYR 39 HD2 TYR 39 0.176 3.201 -7.150 304 HE1 TYR 39 HE1 TYR 39 0.288 1.029 -11.568 305 HE2 TYR 39 HE2 TYR 39 2.167 1.941 -7.845 306 HH TYR 39 HH TYR 39 2.753 1.000 -10.995 307 H PHE 40 H PHE 40 -3.927 2.647 -5.448 308 HA PHE 40 HA PHE 40 -6.249 4.412 -5.774 309 HB2 PHE 40 2HB PHE 40 -5.412 2.884 -3.296 310 HB3 PHE 40 3HB PHE 40 -6.998 3.554 -3.663 311 HD1 PHE 40 HD1 PHE 40 -8.072 2.629 -5.918 312 HD2 PHE 40 HD2 PHE 40 -5.100 0.617 -3.618 313 HE1 PHE 40 HE1 PHE 40 -8.746 0.487 -6.923 314 HE2 PHE 40 HE2 PHE 40 -5.775 -1.524 -4.618 315 HZ PHE 40 HZ PHE 40 -7.596 -1.593 -6.273 316 H PHE 41 H PHE 41 -6.084 6.535 -5.290 317 HA PHE 41 HA PHE 41 -3.637 7.456 -3.974 318 HB2 PHE 41 2HB PHE 41 -5.645 8.825 -5.756 319 HB3 PHE 41 3HB PHE 41 -4.409 9.724 -4.882 320 HD1 PHE 41 HD1 PHE 41 -4.895 7.016 -7.380 321 HD2 PHE 41 HD2 PHE 41 -2.234 9.903 -5.723 322 HE1 PHE 41 HE1 PHE 41 -3.286 6.572 -9.187 323 HE2 PHE 41 HE2 PHE 41 -0.624 9.462 -7.528 324 HZ PHE 41 HZ PHE 41 -1.150 7.795 -9.263 325 H TRP 42 H TRP 42 -3.757 7.699 -1.859 326 HA TRP 42 HA TRP 42 -6.050 9.008 -0.586 327 HB2 TRP 42 2HB TRP 42 -5.367 7.179 0.704 328 HB3 TRP 42 3HB TRP 42 -3.664 7.438 0.366 329 HD1 TRP 42 HD1 TRP 42 -2.307 8.907 2.050 330 HE1 TRP 42 HE1 TRP 42 -2.822 9.936 4.332 331 HE3 TRP 42 HE3 TRP 42 -7.393 8.311 2.070 332 HZ2 TRP 42 HZ2 TRP 42 -5.082 10.444 5.945 333 HZ3 TRP 42 HZ3 TRP 42 -8.655 9.101 4.033 334 HH2 TRP 42 HH2 TRP 42 -7.522 10.143 5.928 335 HA PRO 43 HA PRO 43 -6.633 10.285 0.854 336 HB2 PRO 43 2HB PRO 43 -7.334 12.688 1.744 337 HB3 PRO 43 3HB PRO 43 -5.995 11.812 2.499 338 HG2 PRO 43 2HG PRO 43 -5.923 14.123 0.613 339 HG3 PRO 43 3HG PRO 43 -4.843 13.741 1.964 340 HD2 PRO 43 2HD PRO 43 -4.404 13.179 -0.789 341 HD3 PRO 43 3HD PRO 43 -3.425 12.622 0.583 342 H ARG 44 H ARG 44 -6.267 10.899 -2.085 343 HA ARG 44 HA ARG 44 -8.399 12.689 -2.822 344 HB2 ARG 44 2HB ARG 44 -7.079 10.606 -4.581 345 HB3 ARG 44 3HB ARG 44 -7.912 12.073 -5.093 346 HG2 ARG 44 2HG ARG 44 -6.157 13.429 -4.038 347 HG3 ARG 44 3HG ARG 44 -5.318 11.953 -3.554 348 HD2 ARG 44 2HD ARG 44 -4.229 12.700 -5.518 349 HD3 ARG 44 3HD ARG 44 -5.238 11.346 -6.015 350 HE ARG 44 HE ARG 44 -6.751 12.908 -7.020 351 HH11 ARG 44 1HH1 ARG 44 -3.844 14.339 -5.848 352 HH12 ARG 44 2HH1 ARG 44 -3.924 15.661 -6.962 353 HH21 ARG 44 1HH2 ARG 44 -6.828 14.623 -8.440 354 HH22 ARG 44 2HH2 ARG 44 -5.570 15.813 -8.401 355 H ALA 45 H ALA 45 -8.112 9.326 -2.102 356 HA ALA 45 HA ALA 45 -10.986 9.032 -2.017 357 HB1 ALA 45 3HB ALA 45 -11.082 7.060 -3.454 358 HB2 ALA 45 1HB ALA 45 -9.366 7.225 -3.826 359 HB3 ALA 45 2HB ALA 45 -10.508 8.459 -4.359 360 H ASP 46 H ASP 46 -11.550 6.758 -1.169 361 HA ASP 46 HA ASP 46 -9.964 6.196 1.134 362 HB2 ASP 46 2HB ASP 46 -12.352 4.780 -0.072 363 HB3 ASP 46 3HB ASP 46 -11.586 4.268 1.429 364 H ALA 47 H ALA 47 -7.919 5.736 0.169 365 HA ALA 47 HA ALA 47 -7.394 3.826 -1.786 366 HB1 ALA 47 3HB ALA 47 -5.073 3.929 -1.051 367 HB2 ALA 47 1HB ALA 47 -5.570 4.704 0.455 368 HB3 ALA 47 2HB ALA 47 -5.795 5.539 -1.083 369 H TRP 48 H TRP 48 -7.258 3.423 1.759 370 HA TRP 48 HA TRP 48 -6.370 0.736 1.703 371 HB2 TRP 48 2HB TRP 48 -6.261 2.354 3.656 372 HB3 TRP 48 3HB TRP 48 -7.971 2.031 3.921 373 HD1 TRP 48 HD1 TRP 48 -4.569 0.209 3.974 374 HE1 TRP 48 HE1 TRP 48 -4.755 -1.797 5.570 375 HE3 TRP 48 HE3 TRP 48 -9.560 0.492 5.052 376 HZ2 TRP 48 HZ2 TRP 48 -6.751 -3.099 7.079 377 HZ3 TRP 48 HZ3 TRP 48 -10.528 -1.176 6.585 378 HH2 TRP 48 HH2 TRP 48 -9.150 -2.932 7.574 379 H GLN 49 H GLN 49 -9.621 2.137 2.040 380 HA GLN 49 HA GLN 49 -11.065 -0.259 2.269 381 HB2 GLN 49 2HB GLN 49 -12.072 1.881 2.785 382 HB3 GLN 49 3HB GLN 49 -11.873 2.425 1.126 383 HG2 GLN 49 2HG GLN 49 -14.182 1.839 1.581 384 HG3 GLN 49 3HG GLN 49 -13.491 0.763 0.371 385 HE21 GLN 49 1HE2 GLN 49 -12.820 0.453 3.800 386 HE22 GLN 49 2HE2 GLN 49 -13.676 -1.032 4.017 387 H GLN 50 H GLN 50 -10.080 1.566 -0.613 388 HA GLN 50 HA GLN 50 -11.414 -0.102 -2.494 389 HB2 GLN 50 2HB GLN 50 -9.067 1.774 -2.826 390 HB3 GLN 50 3HB GLN 50 -9.900 0.992 -4.163 391 HG2 GLN 50 2HG GLN 50 -11.940 2.159 -3.650 392 HG3 GLN 50 3HG GLN 50 -11.235 2.838 -2.186 393 HE21 GLN 50 1HE2 GLN 50 -8.668 3.390 -3.459 394 HE22 GLN 50 2HE2 GLN 50 -8.923 4.750 -4.491 395 H LEU 51 H LEU 51 -8.153 -0.153 -1.119 396 HA LEU 51 HA LEU 51 -7.010 -2.110 -2.769 397 HB2 LEU 51 2HB LEU 51 -5.718 -0.746 -1.193 398 HB3 LEU 51 3HB LEU 51 -6.486 -1.559 0.158 399 HG LEU 51 HG LEU 51 -5.429 -3.690 -0.536 400 HD11 LEU 51 1HD1 LEU 51 -3.627 -3.657 -2.206 401 HD12 LEU 51 2HD1 LEU 51 -4.042 -1.992 -2.612 402 HD13 LEU 51 3HD1 LEU 51 -5.199 -3.290 -2.914 403 HD21 LEU 51 3HD2 LEU 51 -3.159 -3.131 0.158 404 HD22 LEU 51 1HD2 LEU 51 -4.347 -2.270 1.135 405 HD23 LEU 51 2HD2 LEU 51 -3.474 -1.420 -0.141 406 H LYS 52 H LYS 52 -8.581 -2.557 0.423 407 HA LYS 52 HA LYS 52 -8.492 -5.387 0.331 408 HB2 LYS 52 2HB LYS 52 -10.001 -5.359 2.227 409 HB3 LYS 52 3HB LYS 52 -8.771 -4.121 2.426 410 HG2 LYS 52 2HG LYS 52 -10.468 -2.462 1.553 411 HG3 LYS 52 3HG LYS 52 -11.670 -3.748 1.704 412 HD2 LYS 52 2HD LYS 52 -9.968 -2.615 3.933 413 HD3 LYS 52 3HD LYS 52 -11.686 -2.309 3.676 414 HE2 LYS 52 2HE LYS 52 -10.510 -5.043 4.201 415 HE3 LYS 52 3HE LYS 52 -11.178 -4.000 5.452 416 HZ1 LYS 52 3HZ LYS 52 -12.638 -5.181 3.154 417 HZ2 LYS 52 1HZ LYS 52 -13.296 -4.028 4.206 418 HZ3 LYS 52 2HZ LYS 52 -12.839 -5.544 4.793 419 H ASP 53 H ASP 53 -10.873 -3.051 -0.832 420 HA ASP 53 HA ASP 53 -13.005 -4.730 -1.440 421 HB2 ASP 53 2HB ASP 53 -13.151 -2.312 -1.686 422 HB3 ASP 53 3HB ASP 53 -11.953 -2.338 -2.976 423 H GLU 54 H GLU 54 -10.078 -4.067 -3.349 424 HA GLU 54 HA GLU 54 -10.709 -5.814 -5.503 425 HB2 GLU 54 2HB GLU 54 -8.133 -4.611 -4.498 426 HB3 GLU 54 3HB GLU 54 -8.149 -5.738 -5.847 427 HG2 GLU 54 2HG GLU 54 -9.686 -3.147 -5.757 428 HG3 GLU 54 3HG GLU 54 -8.121 -3.368 -6.538 429 H LEU 55 H LEU 55 -8.586 -6.253 -2.659 430 HA LEU 55 HA LEU 55 -7.724 -8.846 -3.316 431 HB2 LEU 55 2HB LEU 55 -7.911 -7.502 -0.620 432 HB3 LEU 55 3HB LEU 55 -7.057 -9.005 -0.921 433 HG LEU 55 HG LEU 55 -6.371 -6.312 -2.128 434 HD11 LEU 55 1HD1 LEU 55 -5.807 -6.427 0.231 435 HD12 LEU 55 2HD1 LEU 55 -4.346 -6.472 -0.755 436 HD13 LEU 55 3HD1 LEU 55 -4.961 -7.955 -0.024 437 HD21 LEU 55 3HD2 LEU 55 -5.855 -8.121 -3.683 438 HD22 LEU 55 1HD2 LEU 55 -4.982 -8.986 -2.414 439 HD23 LEU 55 2HD2 LEU 55 -4.374 -7.442 -3.011 440 H GLU 56 H GLU 56 -10.576 -7.792 -1.503 441 HA GLU 56 HA GLU 56 -11.262 -10.439 -0.619 442 HB2 GLU 56 2HB GLU 56 -12.929 -7.911 -0.721 443 HB3 GLU 56 3HB GLU 56 -13.434 -9.414 0.045 444 HG2 GLU 56 2HG GLU 56 -11.382 -9.228 1.502 445 HG3 GLU 56 3HG GLU 56 -11.166 -7.606 0.852 446 H ALA 57 H ALA 57 -12.078 -8.465 -3.413 447 HA ALA 57 HA ALA 57 -14.076 -10.230 -4.451 448 HB1 ALA 57 3HB ALA 57 -12.368 -8.218 -5.925 449 HB2 ALA 57 1HB ALA 57 -13.911 -7.875 -5.139 450 HB3 ALA 57 2HB ALA 57 -13.850 -8.969 -6.520 451 H LYS 58 H LYS 58 -10.583 -9.978 -4.784 452 HA LYS 58 HA LYS 58 -10.433 -12.216 -6.636 453 HB2 LYS 58 2HB LYS 58 -8.167 -10.831 -5.175 454 HB3 LYS 58 3HB LYS 58 -8.047 -11.842 -6.609 455 HG2 LYS 58 2HG LYS 58 -9.170 -10.173 -7.946 456 HG3 LYS 58 3HG LYS 58 -9.475 -9.183 -6.515 457 HD2 LYS 58 2HD LYS 58 -6.961 -9.076 -6.207 458 HD3 LYS 58 3HD LYS 58 -6.816 -9.804 -7.807 459 HE2 LYS 58 2HE LYS 58 -8.198 -7.191 -7.176 460 HE3 LYS 58 3HE LYS 58 -6.592 -7.357 -7.879 461 HZ1 LYS 58 3HZ LYS 58 -8.205 -6.907 -9.584 462 HZ2 LYS 58 1HZ LYS 58 -9.147 -8.230 -9.116 463 HZ3 LYS 58 2HZ LYS 58 -7.615 -8.479 -9.784 464 H HIS 59 H HIS 59 -11.302 -13.956 -5.487 465 HA HIS 59 HA HIS 59 -10.782 -14.344 -2.706 466 HB2 HIS 59 2HB HIS 59 -12.191 -16.064 -4.747 467 HB3 HIS 59 3HB HIS 59 -12.106 -16.458 -3.032 468 HD1 HIS 59 HD1 HIS 59 -13.943 -14.386 -5.460 469 HD2 HIS 59 HD2 HIS 59 -13.510 -14.614 -1.334 470 HE1 HIS 59 HE1 HIS 59 -15.823 -13.025 -4.512 471 HE2 HIS 59 HE2 HIS 59 -15.643 -13.330 -2.024 472 H TRP 60 H TRP 60 -8.833 -15.123 -5.310 473 HA TRP 60 HA TRP 60 -7.725 -17.529 -4.125 474 HB2 TRP 60 2HB TRP 60 -6.086 -17.450 -5.963 475 HB3 TRP 60 3HB TRP 60 -7.741 -17.366 -6.548 476 HD1 TRP 60 HD1 TRP 60 -8.579 -14.804 -7.303 477 HE1 TRP 60 HE1 TRP 60 -7.215 -12.958 -8.470 478 HE3 TRP 60 HE3 TRP 60 -3.866 -16.468 -6.214 479 HZ2 TRP 60 HZ2 TRP 60 -4.502 -12.303 -8.878 480 HZ3 TRP 60 HZ3 TRP 60 -1.940 -15.173 -7.035 481 HH2 TRP 60 HH2 TRP 60 -2.254 -13.136 -8.338 482 H ILE 61 H ILE 61 -7.481 -14.304 -3.420 483 HA ILE 61 HA ILE 61 -4.759 -14.324 -2.410 484 HB ILE 61 HB ILE 61 -7.051 -12.365 -2.134 485 HG12 ILE 61 2HG1 ILE 61 -5.568 -10.824 -3.311 486 HG13 ILE 61 3HG1 ILE 61 -4.273 -12.011 -3.297 487 HG21 ILE 61 1HG2 ILE 61 -4.360 -12.179 -0.768 488 HG22 ILE 61 2HG2 ILE 61 -5.923 -12.385 0.020 489 HG23 ILE 61 3HG2 ILE 61 -5.562 -10.889 -0.839 490 HD11 ILE 61 3HD1 ILE 61 -5.348 -11.823 -5.474 491 HD12 ILE 61 1HD1 ILE 61 -6.888 -12.289 -4.755 492 HD13 ILE 61 2HD1 ILE 61 -5.549 -13.436 -4.789 493 H ALA 62 H ALA 62 -4.232 -15.420 -0.610 494 HA ALA 62 HA ALA 62 -6.088 -16.544 1.201 495 HB1 ALA 62 3HB ALA 62 -3.885 -17.515 0.861 496 HB2 ALA 62 1HB ALA 62 -4.116 -17.117 2.564 497 HB3 ALA 62 2HB ALA 62 -3.121 -16.079 1.542 498 H GLU 63 H GLU 63 -6.853 -15.884 3.185 499 HA GLU 63 HA GLU 63 -7.102 -13.152 3.692 500 HB2 GLU 63 2HB GLU 63 -8.699 -14.793 4.539 501 HB3 GLU 63 3HB GLU 63 -7.478 -15.447 5.626 502 HG2 GLU 63 2HG GLU 63 -7.399 -13.351 6.850 503 HG3 GLU 63 3HG GLU 63 -8.541 -12.623 5.718 504 H ALA 64 H ALA 64 -4.911 -15.498 5.242 505 HA ALA 64 HA ALA 64 -3.752 -13.830 7.140 506 HB1 ALA 64 3HB ALA 64 -1.817 -15.331 7.065 507 HB2 ALA 64 1HB ALA 64 -2.410 -16.023 5.555 508 HB3 ALA 64 2HB ALA 64 -3.333 -16.231 7.044 509 H ASP 65 H ASP 65 -3.055 -14.121 3.691 510 HA ASP 65 HA ASP 65 -0.745 -12.432 3.736 511 HB2 ASP 65 2HB ASP 65 -1.414 -14.237 1.989 512 HB3 ASP 65 3HB ASP 65 -2.409 -12.969 1.279 513 H ARG 66 H ARG 66 -4.173 -11.944 2.785 514 HA ARG 66 HA ARG 66 -3.945 -9.267 1.990 515 HB2 ARG 66 2HB ARG 66 -6.277 -9.134 2.013 516 HB3 ARG 66 3HB ARG 66 -5.995 -10.853 1.795 517 HG2 ARG 66 2HG ARG 66 -6.478 -11.275 4.125 518 HG3 ARG 66 3HG ARG 66 -6.621 -9.549 4.445 519 HD2 ARG 66 2HD ARG 66 -8.526 -9.490 2.819 520 HD3 ARG 66 3HD ARG 66 -8.430 -11.248 2.729 521 HE ARG 66 HE ARG 66 -8.662 -10.667 5.403 522 HH11 ARG 66 1HH1 ARG 66 -10.545 -10.133 2.578 523 HH12 ARG 66 2HH1 ARG 66 -12.038 -10.039 3.450 524 HH21 ARG 66 1HH2 ARG 66 -10.584 -10.588 6.515 525 HH22 ARG 66 2HH2 ARG 66 -12.058 -10.330 5.648 526 H ILE 67 H ILE 67 -4.476 -10.672 5.201 527 HA ILE 67 HA ILE 67 -4.861 -8.305 6.645 528 HB ILE 67 HB ILE 67 -3.638 -10.939 7.493 529 HG12 ILE 67 2HG1 ILE 67 -5.995 -11.050 6.839 530 HG13 ILE 67 3HG1 ILE 67 -5.824 -11.302 8.572 531 HG21 ILE 67 1HG2 ILE 67 -4.423 -8.611 9.254 532 HG22 ILE 67 2HG2 ILE 67 -2.791 -9.225 8.992 533 HG23 ILE 67 3HG2 ILE 67 -3.983 -10.221 9.826 534 HD11 ILE 67 3HD1 ILE 67 -6.511 -8.985 8.963 535 HD12 ILE 67 1HD1 ILE 67 -7.733 -9.901 8.084 536 HD13 ILE 67 2HD1 ILE 67 -6.704 -8.757 7.225 537 H ASN 68 H ASN 68 -1.836 -10.078 5.963 538 HA ASN 68 HA ASN 68 -0.010 -8.419 7.232 539 HB2 ASN 68 2HB ASN 68 0.623 -10.548 6.210 540 HB3 ASN 68 3HB ASN 68 0.310 -9.896 4.603 541 HD21 ASN 68 1HD2 ASN 68 2.325 -10.038 3.776 542 HD22 ASN 68 2HD2 ASN 68 3.687 -9.173 4.395 543 H VAL 69 H VAL 69 -0.926 -8.233 3.765 544 HA VAL 69 HA VAL 69 0.533 -5.860 3.296 545 HB VAL 69 HB VAL 69 -0.694 -5.694 1.156 546 HG11 VAL 69 1HG1 VAL 69 1.294 -7.105 1.333 547 HG12 VAL 69 2HG1 VAL 69 0.135 -7.790 0.193 548 HG13 VAL 69 3HG1 VAL 69 0.292 -8.476 1.812 549 HG21 VAL 69 3HG2 VAL 69 -2.318 -7.418 0.534 550 HG22 VAL 69 1HG2 VAL 69 -2.887 -6.474 1.910 551 HG23 VAL 69 2HG2 VAL 69 -2.235 -8.094 2.162 552 H LEU 70 H LEU 70 -2.800 -6.339 4.356 553 HA LEU 70 HA LEU 70 -3.650 -3.658 3.922 554 HB2 LEU 70 2HB LEU 70 -4.685 -5.843 5.722 555 HB3 LEU 70 3HB LEU 70 -5.407 -4.244 5.698 556 HG LEU 70 HG LEU 70 -5.229 -6.129 3.336 557 HD11 LEU 70 1HD1 LEU 70 -6.836 -6.908 4.977 558 HD12 LEU 70 2HD1 LEU 70 -7.676 -6.269 3.566 559 HD13 LEU 70 3HD1 LEU 70 -7.582 -5.312 5.045 560 HD21 LEU 70 3HD2 LEU 70 -6.560 -3.427 3.574 561 HD22 LEU 70 1HD2 LEU 70 -6.637 -4.503 2.178 562 HD23 LEU 70 2HD2 LEU 70 -5.099 -3.783 2.652 563 H ASN 71 H ASN 71 -2.398 -5.292 6.870 564 HA ASN 71 HA ASN 71 -2.569 -3.044 8.553 565 HB2 ASN 71 2HB ASN 71 -0.786 -5.475 8.643 566 HB3 ASN 71 3HB ASN 71 -0.642 -4.191 9.837 567 HD21 ASN 71 1HD2 ASN 71 -2.456 -6.893 8.794 568 HD22 ASN 71 2HD2 ASN 71 -3.621 -6.873 10.065 569 H GLN 72 H GLN 72 0.265 -4.215 6.676 570 HA GLN 72 HA GLN 72 1.952 -2.086 7.423 571 HB2 GLN 72 2HB GLN 72 3.382 -2.743 5.540 572 HB3 GLN 72 3HB GLN 72 2.852 -4.138 6.467 573 HG2 GLN 72 2HG GLN 72 1.128 -4.580 4.755 574 HG3 GLN 72 3HG GLN 72 1.749 -3.228 3.814 575 HE21 GLN 72 1HE2 GLN 72 3.784 -5.440 5.620 576 HE22 GLN 72 2HE2 GLN 72 4.505 -6.184 4.244 577 H ALA 73 H ALA 73 -0.334 -2.385 4.721 578 HA ALA 73 HA ALA 73 0.269 0.029 3.410 579 HB1 ALA 73 3HB ALA 73 -2.422 -1.327 3.664 580 HB2 ALA 73 1HB ALA 73 -1.202 -1.668 2.439 581 HB3 ALA 73 2HB ALA 73 -1.992 -0.092 2.480 582 H THR 74 H THR 74 -2.070 -0.636 6.025 583 HA THR 74 HA THR 74 -3.057 1.947 6.410 584 HB THR 74 HB THR 74 -2.535 -0.086 8.607 585 HG1 THR 74 HG1 THR 74 -4.831 0.239 6.937 586 HG21 THR 74 3HG2 THR 74 -4.416 1.006 9.745 587 HG22 THR 74 1HG2 THR 74 -4.540 2.174 8.428 588 HG23 THR 74 2HG2 THR 74 -3.103 2.145 9.450 589 H GLU 75 H GLU 75 -0.189 0.389 7.825 590 HA GLU 75 HA GLU 75 0.574 2.505 9.514 591 HB2 GLU 75 2HB GLU 75 2.322 0.395 8.224 592 HB3 GLU 75 3HB GLU 75 2.776 1.403 9.594 593 HG2 GLU 75 2HG GLU 75 0.931 0.410 10.903 594 HG3 GLU 75 3HG GLU 75 0.554 -0.637 9.537 595 H VAL 76 H VAL 76 1.405 1.840 6.116 596 HA VAL 76 HA VAL 76 3.231 3.998 5.825 597 HB VAL 76 HB VAL 76 1.535 2.644 3.708 598 HG11 VAL 76 1HG1 VAL 76 3.938 4.454 3.414 599 HG12 VAL 76 2HG1 VAL 76 2.283 4.813 2.919 600 HG13 VAL 76 3HG1 VAL 76 3.190 3.538 2.106 601 HG21 VAL 76 3HG2 VAL 76 3.580 1.372 3.197 602 HG22 VAL 76 1HG2 VAL 76 3.033 1.084 4.848 603 HG23 VAL 76 2HG2 VAL 76 4.401 2.154 4.547 604 H ILE 77 H ILE 77 -0.264 3.737 5.176 605 HA ILE 77 HA ILE 77 -0.720 6.328 4.217 606 HB ILE 77 HB ILE 77 -2.551 4.533 5.831 607 HG12 ILE 77 2HG1 ILE 77 -2.359 5.042 2.842 608 HG13 ILE 77 3HG1 ILE 77 -1.804 3.592 3.671 609 HG21 ILE 77 1HG2 ILE 77 -3.312 6.843 5.999 610 HG22 ILE 77 2HG2 ILE 77 -4.408 5.905 4.984 611 HG23 ILE 77 3HG2 ILE 77 -3.247 7.009 4.245 612 HD11 ILE 77 3HD1 ILE 77 -4.083 3.054 4.300 613 HD12 ILE 77 1HD1 ILE 77 -3.946 3.259 2.554 614 HD13 ILE 77 2HD1 ILE 77 -4.658 4.538 3.538 615 H ASN 78 H ASN 78 -0.953 5.114 7.570 616 HA ASN 78 HA ASN 78 -1.450 7.600 8.799 617 HB2 ASN 78 2HB ASN 78 -0.100 5.137 9.938 618 HB3 ASN 78 3HB ASN 78 -0.691 6.496 10.891 619 HD21 ASN 78 1HD2 ASN 78 -1.486 3.725 11.024 620 HD22 ASN 78 2HD2 ASN 78 -3.183 3.695 10.709 621 H PHE 79 H PHE 79 1.558 5.999 7.892 622 HA PHE 79 HA PHE 79 3.389 7.652 9.226 623 HB2 PHE 79 2HB PHE 79 3.977 5.513 8.128 624 HB3 PHE 79 3HB PHE 79 3.708 6.251 6.557 625 HD1 PHE 79 HD2 PHE 79 5.774 6.628 9.638 626 HD2 PHE 79 HD1 PHE 79 5.497 7.214 5.425 627 HE1 PHE 79 HE2 PHE 79 8.133 7.322 9.581 628 HE2 PHE 79 HE1 PHE 79 7.859 7.903 5.367 629 HZ PHE 79 HZ PHE 79 9.178 7.958 7.442 630 H TRP 80 H TRP 80 2.228 7.884 5.844 631 HA TRP 80 HA TRP 80 3.433 10.310 5.162 632 HB2 TRP 80 2HB TRP 80 2.365 8.886 3.493 633 HB3 TRP 80 3HB TRP 80 0.788 9.154 4.228 634 HD1 TRP 80 HD1 TRP 80 3.422 10.923 2.068 635 HE1 TRP 80 HE1 TRP 80 2.321 12.939 0.917 636 HE3 TRP 80 HE3 TRP 80 -1.119 10.829 4.426 637 HZ2 TRP 80 HZ2 TRP 80 -0.142 14.314 1.003 638 HZ3 TRP 80 HZ3 TRP 80 -2.788 12.532 3.831 639 HH2 TRP 80 HH2 TRP 80 -2.309 14.239 2.153 640 H GLN 81 H GLN 81 0.205 9.734 6.546 641 HA GLN 81 HA GLN 81 -0.656 12.397 6.731 642 HB2 GLN 81 2HB GLN 81 -2.097 10.401 7.033 643 HB3 GLN 81 3HB GLN 81 -1.305 10.076 8.570 644 HG2 GLN 81 2HG GLN 81 -2.170 12.179 9.466 645 HG3 GLN 81 3HG GLN 81 -2.948 12.522 7.919 646 HE21 GLN 81 1HE2 GLN 81 -5.004 12.559 8.822 647 HE22 GLN 81 2HE2 GLN 81 -5.801 11.134 9.378 648 H ASP 82 H ASP 82 1.197 10.414 8.993 649 HA ASP 82 HA ASP 82 1.383 12.235 11.125 650 HB2 ASP 82 2HB ASP 82 1.919 9.870 11.358 651 HB3 ASP 82 3HB ASP 82 3.268 10.035 10.239 652 H LEU 83 H LEU 83 3.490 11.714 8.306 653 HA LEU 83 HA LEU 83 5.453 13.634 8.923 654 HB2 LEU 83 2HB LEU 83 4.483 12.830 6.170 655 HB3 LEU 83 3HB LEU 83 6.015 13.602 6.545 656 HG LEU 83 HG LEU 83 5.166 10.791 7.260 657 HD11 LEU 83 1HD1 LEU 83 7.314 11.873 5.443 658 HD12 LEU 83 2HD1 LEU 83 5.853 11.005 4.969 659 HD13 LEU 83 3HD1 LEU 83 7.117 10.175 5.875 660 HD21 LEU 83 3HD2 LEU 83 7.423 10.548 8.243 661 HD22 LEU 83 1HD2 LEU 83 6.408 11.682 9.136 662 HD23 LEU 83 2HD2 LEU 83 7.668 12.286 8.058 663 H LYS 84 H LYS 84 2.388 13.916 7.169 664 HA LYS 84 HA LYS 84 2.543 16.609 6.403 665 HB2 LYS 84 2HB LYS 84 0.275 14.721 6.953 666 HB3 LYS 84 3HB LYS 84 -0.071 16.414 6.638 667 HG2 LYS 84 2HG LYS 84 1.576 14.734 4.759 668 HG3 LYS 84 3HG LYS 84 -0.184 14.822 4.659 669 HD2 LYS 84 2HD LYS 84 1.698 17.189 4.494 670 HD3 LYS 84 3HD LYS 84 0.929 16.401 3.115 671 HE2 LYS 84 2HE LYS 84 -1.270 17.013 3.945 672 HE3 LYS 84 3HE LYS 84 -0.557 17.704 5.403 673 HZ1 LYS 84 3HZ LYS 84 -0.155 18.702 2.635 674 HZ2 LYS 84 1HZ LYS 84 0.549 19.354 4.025 675 HZ3 LYS 84 2HZ LYS 84 -1.126 19.418 3.817 676 H ASN 85 H ASN 85 1.561 15.167 9.476 677 HA ASN 85 HA ASN 85 0.583 17.607 10.615 678 HB2 ASN 85 2HB ASN 85 1.442 15.039 11.971 679 HB3 ASN 85 3HB ASN 85 0.541 16.346 12.736 680 HD21 ASN 85 1HD2 ASN 85 -0.219 13.583 12.389 681 HD22 ASN 85 2HD2 ASN 85 -1.692 13.593 11.487 682 H GLN 86 H GLN 86 3.603 15.757 11.075 683 HA GLN 86 HA GLN 86 4.709 17.803 12.806 684 HB2 GLN 86 2HB GLN 86 5.930 15.269 11.691 685 HB3 GLN 86 3HB GLN 86 6.703 16.320 12.872 686 HG2 GLN 86 2HG GLN 86 4.902 15.876 14.460 687 HG3 GLN 86 3HG GLN 86 4.107 14.836 13.276 688 HE21 GLN 86 1HE2 GLN 86 5.026 12.825 12.799 689 HE22 GLN 86 2HE2 GLN 86 6.199 12.095 13.829 690 H ASN 87 H ASN 87 4.503 17.508 9.483 691 HA ASN 87 HA ASN 87 5.525 18.503 7.709 692 HB2 ASN 87 2HB ASN 87 6.523 20.378 9.871 693 HB3 ASN 87 3HB ASN 87 6.663 20.690 8.144 694 HD21 ASN 87 1HD2 ASN 87 4.061 19.554 7.503 695 HD22 ASN 87 2HD2 ASN 87 2.894 20.694 8.066 696 H LYS 88 H LYS 88 6.921 16.305 8.930 697 HA LYS 88 HA LYS 88 9.679 16.738 9.237 698 HB2 LYS 88 2HB LYS 88 8.117 14.286 8.426 699 HB3 LYS 88 3HB LYS 88 9.863 14.261 8.638 700 HG2 LYS 88 2HG LYS 88 9.601 14.951 10.969 701 HG3 LYS 88 3HG LYS 88 7.847 14.997 10.760 702 HD2 LYS 88 2HD LYS 88 7.745 12.638 10.420 703 HD3 LYS 88 3HD LYS 88 9.502 12.514 10.293 704 HE2 LYS 88 2HE LYS 88 7.991 13.342 12.776 705 HE3 LYS 88 3HE LYS 88 8.628 11.727 12.474 706 HZ1 LYS 88 3HZ LYS 88 10.109 13.036 13.866 707 HZ2 LYS 88 1HZ LYS 88 10.253 14.206 12.656 708 HZ3 LYS 88 2HZ LYS 88 10.853 12.646 12.401 709 H GLN 89 H GLN 89 7.783 16.060 6.329 710 HA GLN 89 HA GLN 89 8.232 16.247 4.105 711 HB2 GLN 89 2HB GLN 89 10.429 18.099 5.056 712 HB3 GLN 89 3HB GLN 89 9.777 18.027 3.423 713 HG2 GLN 89 2HG GLN 89 7.611 18.784 4.229 714 HG3 GLN 89 3HG GLN 89 8.214 18.793 5.886 715 HE21 GLN 89 1HE2 GLN 89 8.263 20.411 2.818 716 HE22 GLN 89 2HE2 GLN 89 9.045 21.852 3.366 717 H ILE 90 H ILE 90 9.817 14.212 5.750 718 HA ILE 90 HA ILE 90 12.396 13.948 4.609 719 HB ILE 90 HB ILE 90 12.404 11.668 5.509 720 HG12 ILE 90 2HG1 ILE 90 9.502 12.194 6.239 721 HG13 ILE 90 3HG1 ILE 90 10.056 11.065 5.007 722 HG21 ILE 90 1HG2 ILE 90 12.114 12.243 7.876 723 HG22 ILE 90 2HG2 ILE 90 11.228 13.698 7.415 724 HG23 ILE 90 3HG2 ILE 90 12.931 13.530 6.989 725 HD11 ILE 90 3HD1 ILE 90 9.453 9.898 7.031 726 HD12 ILE 90 1HD1 ILE 90 10.594 10.869 7.962 727 HD13 ILE 90 2HD1 ILE 90 11.185 9.749 6.734 728 H SER 91 H SER 91 13.169 12.660 2.932 729 HA SER 91 HA SER 91 11.358 12.347 0.726 730 HB2 SER 91 2HB SER 91 13.605 13.094 0.263 731 HB3 SER 91 3HB SER 91 14.290 11.651 1.013 732 HG SER 91 HG SER 91 14.173 11.601 -1.331 733 H MET 92 H MET 92 11.363 10.389 -0.652 734 HA MET 92 HA MET 92 10.281 8.154 0.599 735 HB2 MET 92 2HB MET 92 10.572 7.011 -1.576 736 HB3 MET 92 3HB MET 92 9.905 8.628 -1.757 737 HG2 MET 92 2HG MET 92 12.105 9.475 -2.393 738 HG3 MET 92 3HG MET 92 12.787 7.860 -2.197 739 HE1 MET 92 3HE MET 92 10.968 5.875 -5.057 740 HE2 MET 92 1HE MET 92 10.423 6.040 -3.386 741 HE3 MET 92 2HE MET 92 12.133 5.786 -3.736 742 H ALA 93 H ALA 93 13.621 8.941 -0.047 743 HA ALA 93 HA ALA 93 14.855 6.454 0.161 744 HB1 ALA 93 3HB ALA 93 16.858 7.668 0.837 745 HB2 ALA 93 1HB ALA 93 15.887 9.096 1.198 746 HB3 ALA 93 2HB ALA 93 16.024 8.521 -0.463 747 H GLU 94 H GLU 94 13.902 8.696 2.757 748 HA GLU 94 HA GLU 94 14.828 6.985 4.866 749 HB2 GLU 94 2HB GLU 94 12.992 9.395 4.915 750 HB3 GLU 94 3HB GLU 94 13.596 8.578 6.354 751 HG2 GLU 94 2HG GLU 94 15.920 9.065 5.552 752 HG3 GLU 94 3HG GLU 94 15.211 10.046 4.273 753 H ALA 95 H ALA 95 11.726 7.495 3.249 754 HA ALA 95 HA ALA 95 10.087 5.960 4.933 755 HB1 ALA 95 3HB ALA 95 9.908 6.280 1.931 756 HB2 ALA 95 1HB ALA 95 9.189 7.349 3.136 757 HB3 ALA 95 2HB ALA 95 8.619 5.688 2.979 758 H GLN 96 H GLN 96 12.168 4.986 2.232 759 HA GLN 96 HA GLN 96 11.610 2.207 2.351 760 HB2 GLN 96 2HB GLN 96 13.767 3.894 1.146 761 HB3 GLN 96 3HB GLN 96 14.024 2.158 1.251 762 HG2 GLN 96 2HG GLN 96 11.587 3.378 -0.027 763 HG3 GLN 96 3HG GLN 96 13.065 3.004 -0.915 764 HE21 GLN 96 1HE2 GLN 96 10.398 1.639 0.883 765 HE22 GLN 96 2HE2 GLN 96 10.565 0.034 0.279 766 H GLY 97 H GLY 97 13.686 4.264 4.241 767 HA2 GLY 97 2HA GLY 97 15.206 2.103 5.420 768 HA3 GLY 97 3HA GLY 97 15.209 3.785 5.931 769 H LYS 98 H LYS 98 12.087 3.357 5.921 770 HA LYS 98 HA LYS 98 11.979 2.298 8.670 771 HB2 LYS 98 2HB LYS 98 11.218 4.685 8.110 772 HB3 LYS 98 3HB LYS 98 9.840 3.949 7.312 773 HG2 LYS 98 2HG LYS 98 10.467 3.300 10.175 774 HG3 LYS 98 3HG LYS 98 9.608 4.781 9.754 775 HD2 LYS 98 2HD LYS 98 7.849 3.488 8.677 776 HD3 LYS 98 3HD LYS 98 8.727 1.989 8.988 777 HE2 LYS 98 2HE LYS 98 7.761 3.858 11.150 778 HE3 LYS 98 3HE LYS 98 6.851 2.460 10.580 779 HZ1 LYS 98 3HZ LYS 98 8.626 1.019 11.281 780 HZ2 LYS 98 1HZ LYS 98 8.151 1.991 12.583 781 HZ3 LYS 98 2HZ LYS 98 9.579 2.335 11.746 782 H PHE 99 H PHE 99 10.427 2.050 5.484 783 HA PHE 99 HA PHE 99 9.176 -0.484 6.358 784 HB2 PHE 99 2HB PHE 99 8.341 1.362 4.104 785 HB3 PHE 99 3HB PHE 99 7.592 -0.187 4.467 786 HD1 PHE 99 HD2 PHE 99 6.492 -0.468 6.756 787 HD2 PHE 99 HD1 PHE 99 7.597 3.318 5.140 788 HE1 PHE 99 HE2 PHE 99 4.928 0.642 8.295 789 HE2 PHE 99 HE1 PHE 99 6.029 4.432 6.675 790 HZ PHE 99 HZ PHE 99 4.693 3.095 8.255 791 HA PRO 100 HA PRO 100 12.502 -1.515 3.242 792 HB2 PRO 100 2HB PRO 100 13.596 -3.607 4.564 793 HB3 PRO 100 3HB PRO 100 14.018 -1.931 4.938 794 HG2 PRO 100 2HG PRO 100 12.101 -3.760 6.346 795 HG3 PRO 100 3HG PRO 100 13.319 -2.671 7.038 796 HD2 PRO 100 2HD PRO 100 10.675 -2.031 6.885 797 HD3 PRO 100 3HD PRO 100 11.967 -0.814 6.816 798 H GLU 101 H GLU 101 9.726 -3.010 4.404 799 HA GLU 101 HA GLU 101 9.980 -5.418 2.749 800 HB2 GLU 101 2HB GLU 101 7.723 -4.524 4.559 801 HB3 GLU 101 3HB GLU 101 7.868 -6.097 3.785 802 HG2 GLU 101 2HG GLU 101 9.834 -6.607 5.097 803 HG3 GLU 101 3HG GLU 101 9.807 -4.998 5.817 804 H VAL 102 H VAL 102 8.700 -2.251 2.531 805 HA VAL 102 HA VAL 102 6.654 -3.029 0.563 806 HB VAL 102 HB VAL 102 7.084 -0.338 1.885 807 HG11 VAL 102 1HG1 VAL 102 4.761 -1.374 0.248 808 HG12 VAL 102 2HG1 VAL 102 5.926 -0.150 -0.254 809 HG13 VAL 102 3HG1 VAL 102 4.822 0.181 1.080 810 HG21 VAL 102 3HG2 VAL 102 5.114 -2.530 2.563 811 HG22 VAL 102 1HG2 VAL 102 5.122 -0.911 3.266 812 HG23 VAL 102 2HG2 VAL 102 6.478 -2.002 3.549 813 H VAL 103 H VAL 103 6.561 -2.099 -1.505 814 HA VAL 103 HA VAL 103 9.087 -1.031 -2.549 815 HB VAL 103 HB VAL 103 6.597 -2.022 -3.966 816 HG11 VAL 103 1HG1 VAL 103 9.204 -1.052 -5.152 817 HG12 VAL 103 2HG1 VAL 103 7.628 -0.272 -5.301 818 HG13 VAL 103 3HG1 VAL 103 7.905 -1.844 -6.047 819 HG21 VAL 103 3HG2 VAL 103 8.034 -3.886 -4.669 820 HG22 VAL 103 1HG2 VAL 103 7.899 -3.794 -2.914 821 HG23 VAL 103 2HG2 VAL 103 9.361 -3.219 -3.717 822 H PHE 104 H PHE 104 9.305 1.059 -3.296 823 HA PHE 104 HA PHE 104 6.895 2.774 -3.209 824 HB2 PHE 104 2HB PHE 104 9.709 3.347 -2.282 825 HB3 PHE 104 3HB PHE 104 8.583 4.644 -2.655 826 HD1 PHE 104 HD1 PHE 104 8.886 1.576 -0.553 827 HD2 PHE 104 HD2 PHE 104 7.178 5.452 -0.995 828 HE1 PHE 104 HE1 PHE 104 7.968 1.432 1.724 829 HE2 PHE 104 HE2 PHE 104 6.258 5.312 1.281 830 HZ PHE 104 HZ PHE 104 6.652 3.300 2.646 831 H SER 105 H SER 105 6.674 4.398 -4.737 832 HA SER 105 HA SER 105 8.675 4.533 -6.911 833 HB2 SER 105 2HB SER 105 5.652 4.612 -7.220 834 HB3 SER 105 3HB SER 105 6.806 4.915 -8.517 835 HG SER 105 HG SER 105 6.049 2.757 -8.534 836 H GLY 106 H GLY 106 9.582 6.499 -6.821 837 HA2 GLY 106 2HA GLY 106 7.860 8.826 -6.156 838 HA3 GLY 106 3HA GLY 106 9.481 8.646 -5.501 839 H SER 107 H SER 107 7.583 9.507 -8.280 840 HA SER 107 HA SER 107 9.879 10.834 -9.479 841 HB2 SER 107 2HB SER 107 10.034 8.606 -10.474 842 HB3 SER 107 3HB SER 107 8.349 8.695 -10.991 843 HG SER 107 HG SER 107 10.608 9.826 -12.098 844 H ASN 108 H ASN 108 9.265 12.175 -11.384 845 HA ASN 108 HA ASN 108 6.468 12.833 -11.731 846 HB2 ASN 108 2HB ASN 108 6.950 14.027 -9.651 847 HB3 ASN 108 3HB ASN 108 8.345 14.805 -10.392 848 HD21 ASN 108 1HD2 ASN 108 4.858 14.633 -10.351 849 HD22 ASN 108 2HD2 ASN 108 4.590 16.162 -11.106 850 H LEU 109 H LEU 109 6.098 13.735 -13.705 851 HA LEU 109 HA LEU 109 8.265 13.874 -15.572 852 HB2 LEU 109 2HB LEU 109 6.389 14.618 -17.164 853 HB3 LEU 109 3HB LEU 109 6.348 12.995 -16.510 854 HG LEU 109 HG LEU 109 4.655 13.743 -14.838 855 HD11 LEU 109 1HD1 LEU 109 3.483 15.870 -15.197 856 HD12 LEU 109 2HD1 LEU 109 4.682 16.320 -16.409 857 HD13 LEU 109 3HD1 LEU 109 5.166 16.110 -14.725 858 HD21 LEU 109 3HD2 LEU 109 3.973 12.648 -16.908 859 HD22 LEU 109 1HD2 LEU 109 3.913 14.208 -17.728 860 HD23 LEU 109 2HD2 LEU 109 2.789 13.857 -16.414 861 H GLU 110 H GLU 110 8.461 15.723 -17.155 862 HA GLU 110 HA GLU 110 8.813 18.178 -15.582 863 HB2 GLU 110 2HB GLU 110 10.011 17.408 -18.255 864 HB3 GLU 110 3HB GLU 110 10.436 18.826 -17.303 865 HG2 GLU 110 2HG GLU 110 11.213 17.328 -15.493 866 HG3 GLU 110 3HG GLU 110 10.874 15.945 -16.532 867 H HIS 111 H HIS 111 6.203 17.404 -16.824 868 HA HIS 111 HA HIS 111 5.836 19.746 -18.595 869 HB2 HIS 111 2HB HIS 111 4.198 17.198 -18.493 870 HB3 HIS 111 3HB HIS 111 3.874 18.576 -19.539 871 HD1 HIS 111 HD1 HIS 111 5.242 18.772 -21.682 872 HD2 HIS 111 HD2 HIS 111 6.483 15.659 -19.223 873 HE1 HIS 111 HE1 HIS 111 6.857 17.435 -23.051 874 HE2 HIS 111 HE2 HIS 111 7.734 15.679 -21.487 875 H HIS 112 H HIS 112 5.147 21.365 -17.263 876 HA HIS 112 HA HIS 112 3.741 21.038 -14.873 877 HB2 HIS 112 2HB HIS 112 3.287 23.456 -14.967 878 HB3 HIS 112 3HB HIS 112 4.956 23.084 -15.372 879 HD1 HIS 112 HD1 HIS 112 1.786 24.420 -16.845 880 HD2 HIS 112 HD2 HIS 112 5.713 23.714 -18.005 881 HE1 HIS 112 HE1 HIS 112 2.070 25.630 -19.022 882 HE2 HIS 112 HE2 HIS 112 4.487 25.315 -19.623 883 H HIS 113 H HIS 113 1.896 19.849 -14.872 884 HA HIS 113 HA HIS 113 -0.462 21.159 -16.006 885 HB2 HIS 113 2HB HIS 113 0.207 18.239 -16.447 886 HB3 HIS 113 3HB HIS 113 -1.400 18.912 -16.687 887 HD1 HIS 113 HD1 HIS 113 1.523 18.081 -18.529 888 HD2 HIS 113 HD2 HIS 113 -1.249 21.170 -18.692 889 HE1 HIS 113 HE1 HIS 113 1.750 19.065 -20.819 890 HE2 HIS 113 HE2 HIS 113 -0.082 20.776 -20.965 891 H HIS 114 H HIS 114 -0.728 21.786 -13.763 892 HA HIS 114 HA HIS 114 -1.215 19.787 -11.769 893 HB2 HIS 114 2HB HIS 114 -1.352 22.752 -11.873 894 HB3 HIS 114 3HB HIS 114 -2.361 21.966 -10.665 895 HD1 HIS 114 HD1 HIS 114 -1.227 21.077 -8.603 896 HD2 HIS 114 HD2 HIS 114 1.479 22.275 -11.515 897 HE1 HIS 114 HE1 HIS 114 1.014 21.041 -7.486 898 HE2 HIS 114 HE2 HIS 114 2.598 21.957 -9.205 899 H HIS 115 H HIS 115 -2.758 18.451 -12.844 900 HA HIS 115 HA HIS 115 -5.479 19.486 -13.083 901 HB2 HIS 115 2HB HIS 115 -4.486 17.803 -14.706 902 HB3 HIS 115 3HB HIS 115 -4.525 16.621 -13.403 903 HD1 HIS 115 HD1 HIS 115 -6.493 15.141 -13.567 904 HD2 HIS 115 HD2 HIS 115 -7.304 18.937 -15.056 905 HE1 HIS 115 HE1 HIS 115 -8.855 15.043 -14.405 906 HE2 HIS 115 HE2 HIS 115 -9.250 17.284 -15.473 907 H HIS 116 H HIS 116 -5.452 20.108 -10.768 908 HA HIS 116 HA HIS 116 -5.930 19.874 -8.562 909 HB2 HIS 116 2HB HIS 116 -6.803 17.092 -9.372 910 HB3 HIS 116 3HB HIS 116 -6.981 17.735 -7.745 911 HD1 HIS 116 HD1 HIS 116 -8.900 19.337 -7.316 912 HD2 HIS 116 HD2 HIS 116 -8.503 18.294 -11.320 913 HE1 HIS 116 HE1 HIS 116 -10.975 20.190 -8.441 914 HE2 HIS 116 HE2 HIS 116 -10.644 19.676 -10.878 Start of MODEL 19 1 H1 MET 1 1H MET 1 5.983 -27.816 0.658 2 H2 MET 1 2H MET 1 6.342 -27.696 2.309 3 H3 MET 1 3H MET 1 7.284 -26.867 1.178 4 HA MET 1 HA MET 1 5.815 -25.351 2.291 5 HB2 MET 1 2HB MET 1 5.053 -25.886 -0.591 6 HB3 MET 1 3HB MET 1 4.672 -24.409 0.285 7 HG2 MET 1 2HG MET 1 7.048 -23.945 0.564 8 HG3 MET 1 3HG MET 1 7.447 -25.440 -0.281 9 HE1 MET 1 3HE MET 1 8.499 -22.645 -2.834 10 HE2 MET 1 1HE MET 1 9.034 -24.059 -1.924 11 HE3 MET 1 2HE MET 1 8.616 -22.570 -1.076 12 H ALA 2 H ALA 2 4.315 -28.303 1.374 13 HA ALA 2 HA ALA 2 2.464 -29.339 2.179 14 HB1 ALA 2 3HB ALA 2 1.130 -28.363 3.970 15 HB2 ALA 2 1HB ALA 2 1.928 -26.808 3.737 16 HB3 ALA 2 2HB ALA 2 2.854 -28.199 4.304 17 H ALA 3 H ALA 3 1.669 -25.926 1.402 18 HA ALA 3 HA ALA 3 -0.967 -26.392 0.570 19 HB1 ALA 3 3HB ALA 3 -0.096 -24.170 1.104 20 HB2 ALA 3 1HB ALA 3 -0.854 -24.203 -0.490 21 HB3 ALA 3 2HB ALA 3 0.905 -24.211 -0.346 22 H SER 4 H SER 4 -1.727 -27.508 -1.115 23 HA SER 4 HA SER 4 -0.056 -28.198 -3.376 24 HB2 SER 4 2HB SER 4 -2.039 -29.444 -4.177 25 HB3 SER 4 3HB SER 4 -1.647 -29.849 -2.506 26 HG SER 4 HG SER 4 -3.955 -29.165 -3.329 27 H THR 5 H THR 5 -2.246 -25.701 -2.585 28 HA THR 5 HA THR 5 -3.158 -24.929 -5.150 29 HB THR 5 HB THR 5 -2.642 -23.065 -2.811 30 HG1 THR 5 HG1 THR 5 -4.565 -23.697 -1.963 31 HG21 THR 5 3HG2 THR 5 -4.538 -21.795 -3.738 32 HG22 THR 5 1HG2 THR 5 -4.651 -22.941 -5.074 33 HG23 THR 5 2HG2 THR 5 -3.218 -21.924 -4.902 34 H VAL 6 H VAL 6 -2.414 -23.200 -6.517 35 HA VAL 6 HA VAL 6 0.300 -23.061 -7.059 36 HB VAL 6 HB VAL 6 -1.313 -22.410 -8.726 37 HG11 VAL 6 1HG1 VAL 6 -3.017 -21.419 -7.299 38 HG12 VAL 6 2HG1 VAL 6 -2.584 -20.316 -8.606 39 HG13 VAL 6 3HG1 VAL 6 -1.968 -20.036 -6.977 40 HG21 VAL 6 3HG2 VAL 6 0.909 -21.451 -8.971 41 HG22 VAL 6 1HG2 VAL 6 0.446 -20.066 -7.979 42 HG23 VAL 6 2HG2 VAL 6 -0.310 -20.317 -9.552 43 H HIS 7 H HIS 7 1.814 -22.453 -5.640 44 HA HIS 7 HA HIS 7 1.377 -20.608 -3.520 45 HB2 HIS 7 2HB HIS 7 2.948 -22.496 -3.361 46 HB3 HIS 7 3HB HIS 7 3.964 -21.764 -4.593 47 HD1 HIS 7 HD1 HIS 7 5.668 -20.088 -3.834 48 HD2 HIS 7 HD2 HIS 7 2.973 -21.091 -0.836 49 HE1 HIS 7 HE1 HIS 7 6.602 -19.087 -1.730 50 HE2 HIS 7 HE2 HIS 7 5.002 -19.780 0.086 51 H THR 8 H THR 8 0.667 -18.706 -4.586 52 HA THR 8 HA THR 8 2.671 -17.211 -6.150 53 HB THR 8 HB THR 8 -0.316 -16.773 -5.877 54 HG1 THR 8 HG1 THR 8 -0.297 -18.244 -7.400 55 HG21 THR 8 3HG2 THR 8 1.693 -15.297 -7.594 56 HG22 THR 8 1HG2 THR 8 0.840 -14.633 -6.200 57 HG23 THR 8 2HG2 THR 8 -0.057 -15.086 -7.649 58 H SER 9 H SER 9 3.667 -15.486 -5.288 59 HA SER 9 HA SER 9 2.904 -14.597 -2.610 60 HB2 SER 9 2HB SER 9 5.259 -15.142 -2.982 61 HB3 SER 9 3HB SER 9 5.350 -13.943 -4.269 62 HG SER 9 HG SER 9 5.823 -13.548 -1.740 63 H PHE 10 H PHE 10 3.239 -12.177 -2.159 64 HA PHE 10 HA PHE 10 2.102 -10.525 -4.320 65 HB2 PHE 10 2HB PHE 10 1.057 -10.660 -1.478 66 HB3 PHE 10 3HB PHE 10 0.536 -9.491 -2.686 67 HD1 PHE 10 HD1 PHE 10 -0.843 -10.190 -4.584 68 HD2 PHE 10 HD2 PHE 10 0.311 -12.954 -1.552 69 HE1 PHE 10 HE1 PHE 10 -2.561 -11.764 -5.369 70 HE2 PHE 10 HE2 PHE 10 -1.407 -14.531 -2.336 71 HZ PHE 10 HZ PHE 10 -2.842 -13.940 -4.244 72 H ILE 11 H ILE 11 2.729 -8.402 -4.349 73 HA ILE 11 HA ILE 11 4.644 -7.496 -2.277 74 HB ILE 11 HB ILE 11 4.679 -6.764 -5.221 75 HG12 ILE 11 2HG1 ILE 11 6.521 -8.630 -3.692 76 HG13 ILE 11 3HG1 ILE 11 5.308 -9.128 -4.866 77 HG21 ILE 11 1HG2 ILE 11 5.572 -4.993 -3.823 78 HG22 ILE 11 2HG2 ILE 11 6.882 -5.773 -4.708 79 HG23 ILE 11 3HG2 ILE 11 6.632 -6.139 -3.001 80 HD11 ILE 11 3HD1 ILE 11 7.738 -7.444 -5.438 81 HD12 ILE 11 1HD1 ILE 11 6.514 -7.921 -6.615 82 HD13 ILE 11 2HD1 ILE 11 7.518 -9.146 -5.843 83 H LEU 12 H LEU 12 4.501 -5.291 -1.629 84 HA LEU 12 HA LEU 12 2.091 -3.867 -2.580 85 HB2 LEU 12 2HB LEU 12 2.087 -4.398 -0.180 86 HB3 LEU 12 3HB LEU 12 3.603 -3.537 0.018 87 HG LEU 12 HG LEU 12 2.411 -1.444 -0.758 88 HD11 LEU 12 1HD1 LEU 12 -0.059 -3.127 -0.337 89 HD12 LEU 12 2HD1 LEU 12 0.528 -2.522 -1.887 90 HD13 LEU 12 3HD1 LEU 12 -0.018 -1.391 -0.650 91 HD21 LEU 12 3HD2 LEU 12 2.895 -1.860 1.595 92 HD22 LEU 12 1HD2 LEU 12 1.382 -2.752 1.759 93 HD23 LEU 12 2HD2 LEU 12 1.355 -1.025 1.399 94 H LYS 13 H LYS 13 2.496 -2.254 -3.972 95 HA LYS 13 HA LYS 13 4.974 -0.691 -3.649 96 HB2 LYS 13 2HB LYS 13 3.100 -0.754 -6.027 97 HB3 LYS 13 3HB LYS 13 4.603 0.151 -5.921 98 HG2 LYS 13 2HG LYS 13 5.688 -2.181 -5.519 99 HG3 LYS 13 3HG LYS 13 4.188 -2.804 -6.209 100 HD2 LYS 13 2HD LYS 13 6.202 -0.965 -7.511 101 HD3 LYS 13 3HD LYS 13 5.774 -2.607 -7.989 102 HE2 LYS 13 2HE LYS 13 3.900 -0.236 -8.084 103 HE3 LYS 13 3HE LYS 13 4.793 -0.873 -9.462 104 HZ1 LYS 13 3HZ LYS 13 2.528 -1.685 -9.420 105 HZ2 LYS 13 1HZ LYS 13 2.763 -2.360 -7.885 106 HZ3 LYS 13 2HZ LYS 13 3.611 -2.965 -9.211 107 H VAL 14 H VAL 14 4.914 1.493 -3.293 108 HA VAL 14 HA VAL 14 2.262 2.768 -3.038 109 HB VAL 14 HB VAL 14 4.647 3.129 -1.206 110 HG11 VAL 14 1HG1 VAL 14 3.574 5.282 -1.571 111 HG12 VAL 14 2HG1 VAL 14 3.223 4.696 0.054 112 HG13 VAL 14 3HG1 VAL 14 1.997 4.584 -1.207 113 HG21 VAL 14 3HG2 VAL 14 1.872 2.058 -0.659 114 HG22 VAL 14 1HG2 VAL 14 3.155 2.271 0.534 115 HG23 VAL 14 2HG2 VAL 14 3.347 1.097 -0.767 116 H LEU 15 H LEU 15 2.029 4.412 -4.399 117 HA LEU 15 HA LEU 15 4.297 5.685 -5.668 118 HB2 LEU 15 2HB LEU 15 1.777 5.135 -6.520 119 HB3 LEU 15 3HB LEU 15 1.563 6.803 -6.022 120 HG LEU 15 HG LEU 15 3.536 5.798 -8.089 121 HD11 LEU 15 1HD1 LEU 15 2.149 7.011 -9.689 122 HD12 LEU 15 2HD1 LEU 15 1.027 7.451 -8.400 123 HD13 LEU 15 3HD1 LEU 15 1.221 5.760 -8.861 124 HD21 LEU 15 3HD2 LEU 15 4.050 8.133 -8.527 125 HD22 LEU 15 1HD2 LEU 15 4.434 7.722 -6.856 126 HD23 LEU 15 2HD2 LEU 15 2.973 8.638 -7.225 127 H TRP 16 H TRP 16 5.376 7.188 -4.572 128 HA TRP 16 HA TRP 16 4.074 8.811 -2.514 129 HB2 TRP 16 2HB TRP 16 6.254 7.508 -2.169 130 HB3 TRP 16 3HB TRP 16 7.021 8.700 -3.207 131 HD1 TRP 16 HD1 TRP 16 7.556 11.075 -2.149 132 HE1 TRP 16 HE1 TRP 16 7.534 11.948 0.273 133 HE3 TRP 16 HE3 TRP 16 4.926 7.284 0.060 134 HZ2 TRP 16 HZ2 TRP 16 6.525 11.142 2.786 135 HZ3 TRP 16 HZ3 TRP 16 4.474 7.411 2.475 136 HH2 TRP 16 HH2 TRP 16 5.258 9.302 3.811 137 H LEU 17 H LEU 17 3.203 10.705 -3.215 138 HA LEU 17 HA LEU 17 4.632 12.209 -5.324 139 HB2 LEU 17 2HB LEU 17 1.697 12.391 -4.636 140 HB3 LEU 17 3HB LEU 17 2.516 13.238 -5.932 141 HG LEU 17 HG LEU 17 3.071 10.806 -6.782 142 HD11 LEU 17 1HD1 LEU 17 0.586 10.304 -5.144 143 HD12 LEU 17 2HD1 LEU 17 2.189 9.642 -4.825 144 HD13 LEU 17 3HD1 LEU 17 1.326 9.186 -6.293 145 HD21 LEU 17 3HD2 LEU 17 1.746 12.444 -8.002 146 HD22 LEU 17 1HD2 LEU 17 0.323 12.036 -7.043 147 HD23 LEU 17 2HD2 LEU 17 1.029 10.840 -8.130 148 H ASP 18 H ASP 18 3.785 14.655 -5.217 149 HA ASP 18 HA ASP 18 5.050 15.812 -2.979 150 HB2 ASP 18 2HB ASP 18 4.942 16.865 -5.203 151 HB3 ASP 18 3HB ASP 18 3.204 17.076 -5.026 152 H GLN 19 H GLN 19 1.588 15.755 -3.875 153 HA GLN 19 HA GLN 19 0.905 16.111 -1.018 154 HB2 GLN 19 2HB GLN 19 -0.547 17.335 -3.380 155 HB3 GLN 19 3HB GLN 19 -1.041 17.468 -1.696 156 HG2 GLN 19 2HG GLN 19 1.011 18.692 -1.185 157 HG3 GLN 19 3HG GLN 19 1.522 18.545 -2.867 158 HE21 GLN 19 1HE2 GLN 19 0.397 19.715 -4.457 159 HE22 GLN 19 2HE2 GLN 19 -0.554 21.096 -4.047 160 H ASN 20 H ASN 20 1.129 13.712 -2.766 161 HA ASN 20 HA ASN 20 -1.504 12.560 -2.200 162 HB2 ASN 20 2HB ASN 20 -0.184 12.415 -4.926 163 HB3 ASN 20 3HB ASN 20 -1.585 11.469 -4.440 164 HD21 ASN 20 1HD2 ASN 20 -0.425 14.591 -5.363 165 HD22 ASN 20 2HD2 ASN 20 -1.974 15.337 -5.535 166 H VAL 21 H VAL 21 -1.510 10.239 -2.124 167 HA VAL 21 HA VAL 21 0.996 8.811 -2.516 168 HB VAL 21 HB VAL 21 1.208 9.469 -0.191 169 HG11 VAL 21 1HG1 VAL 21 -1.485 8.183 0.254 170 HG12 VAL 21 2HG1 VAL 21 -1.138 9.911 0.304 171 HG13 VAL 21 3HG1 VAL 21 -0.429 8.833 1.507 172 HG21 VAL 21 3HG2 VAL 21 1.394 7.275 0.877 173 HG22 VAL 21 1HG2 VAL 21 1.992 7.228 -0.783 174 HG23 VAL 21 2HG2 VAL 21 0.403 6.562 -0.396 175 H ALA 22 H ALA 22 0.591 6.875 -3.450 176 HA ALA 22 HA ALA 22 -2.184 5.845 -3.333 177 HB1 ALA 22 3HB ALA 22 -0.307 5.716 -5.693 178 HB2 ALA 22 1HB ALA 22 -1.643 6.852 -5.510 179 HB3 ALA 22 2HB ALA 22 -1.968 5.123 -5.639 180 H ILE 23 H ILE 23 -2.507 3.672 -3.070 181 HA ILE 23 HA ILE 23 -0.093 2.000 -2.702 182 HB ILE 23 HB ILE 23 -1.482 0.589 -1.190 183 HG12 ILE 23 2HG1 ILE 23 -3.493 2.844 -1.483 184 HG13 ILE 23 3HG1 ILE 23 -3.713 1.186 -2.030 185 HG21 ILE 23 1HG2 ILE 23 -1.396 2.119 0.728 186 HG22 ILE 23 2HG2 ILE 23 -1.226 3.488 -0.371 187 HG23 ILE 23 3HG2 ILE 23 0.040 2.265 -0.283 188 HD11 ILE 23 3HD1 ILE 23 -3.469 2.115 0.823 189 HD12 ILE 23 1HD1 ILE 23 -3.601 0.433 0.310 190 HD13 ILE 23 2HD1 ILE 23 -4.930 1.553 0.012 191 H ALA 24 H ALA 24 -0.000 -0.036 -3.601 192 HA ALA 24 HA ALA 24 -2.285 -1.207 -4.960 193 HB1 ALA 24 3HB ALA 24 -1.449 0.348 -6.658 194 HB2 ALA 24 1HB ALA 24 -1.207 -1.328 -7.154 195 HB3 ALA 24 2HB ALA 24 0.154 -0.381 -6.548 196 H VAL 25 H VAL 25 -1.995 -3.425 -5.469 197 HA VAL 25 HA VAL 25 0.412 -4.647 -4.256 198 HB VAL 25 HB VAL 25 -2.368 -5.829 -4.523 199 HG11 VAL 25 1HG1 VAL 25 -0.637 -7.552 -4.719 200 HG12 VAL 25 2HG1 VAL 25 -1.516 -7.705 -3.198 201 HG13 VAL 25 3HG1 VAL 25 0.098 -6.994 -3.214 202 HG21 VAL 25 3HG2 VAL 25 -2.435 -5.691 -2.072 203 HG22 VAL 25 1HG2 VAL 25 -2.252 -4.096 -2.804 204 HG23 VAL 25 2HG2 VAL 25 -0.861 -4.896 -2.073 205 H ASP 26 H ASP 26 1.565 -6.150 -5.378 206 HA ASP 26 HA ASP 26 0.722 -6.769 -8.137 207 HB2 ASP 26 2HB ASP 26 3.518 -6.548 -6.995 208 HB3 ASP 26 3HB ASP 26 3.131 -6.990 -8.657 209 H GLN 27 H GLN 27 0.509 -8.860 -8.724 210 HA GLN 27 HA GLN 27 1.041 -10.934 -6.735 211 HB2 GLN 27 2HB GLN 27 -0.335 -12.383 -8.164 212 HB3 GLN 27 3HB GLN 27 -1.176 -10.889 -7.770 213 HG2 GLN 27 2HG GLN 27 -0.594 -9.992 -9.983 214 HG3 GLN 27 3HG GLN 27 0.203 -11.513 -10.380 215 HE21 GLN 27 1HE2 GLN 27 -1.089 -13.378 -10.639 216 HE22 GLN 27 2HE2 GLN 27 -2.766 -13.260 -11.015 217 H ILE 28 H ILE 28 2.814 -12.172 -6.813 218 HA ILE 28 HA ILE 28 4.594 -12.085 -9.092 219 HB ILE 28 HB ILE 28 4.814 -13.702 -6.536 220 HG12 ILE 28 2HG1 ILE 28 6.030 -11.036 -7.325 221 HG13 ILE 28 3HG1 ILE 28 4.818 -11.305 -6.078 222 HG21 ILE 28 1HG2 ILE 28 7.179 -13.957 -7.133 223 HG22 ILE 28 2HG2 ILE 28 6.892 -13.104 -8.648 224 HG23 ILE 28 3HG2 ILE 28 6.128 -14.666 -8.359 225 HD11 ILE 28 3HD1 ILE 28 7.641 -12.343 -6.025 226 HD12 ILE 28 1HD1 ILE 28 6.422 -12.578 -4.772 227 HD13 ILE 28 2HD1 ILE 28 7.023 -10.959 -5.125 228 H VAL 29 H VAL 29 3.668 -13.143 -10.819 229 HA VAL 29 HA VAL 29 2.336 -15.695 -10.462 230 HB VAL 29 HB VAL 29 2.896 -14.205 -13.038 231 HG11 VAL 29 1HG1 VAL 29 0.911 -16.405 -12.434 232 HG12 VAL 29 2HG1 VAL 29 2.393 -16.575 -13.376 233 HG13 VAL 29 3HG1 VAL 29 1.081 -15.557 -13.972 234 HG21 VAL 29 3HG2 VAL 29 0.437 -14.132 -11.281 235 HG22 VAL 29 1HG2 VAL 29 0.590 -13.373 -12.867 236 HG23 VAL 29 2HG2 VAL 29 1.586 -12.814 -11.524 237 H GLY 30 H GLY 30 4.092 -17.003 -9.780 238 HA2 GLY 30 2HA GLY 30 5.824 -18.491 -10.053 239 HA3 GLY 30 3HA GLY 30 5.067 -18.774 -11.605 240 H LYS 31 H LYS 31 5.800 -17.470 -13.413 241 HA LYS 31 HA LYS 31 8.664 -17.514 -13.538 242 HB2 LYS 31 2HB LYS 31 6.640 -16.666 -15.629 243 HB3 LYS 31 3HB LYS 31 8.353 -16.922 -15.922 244 HG2 LYS 31 2HG LYS 31 7.314 -18.866 -16.703 245 HG3 LYS 31 3HG LYS 31 7.979 -19.318 -15.135 246 HD2 LYS 31 2HD LYS 31 5.732 -20.219 -15.404 247 HD3 LYS 31 3HD LYS 31 5.760 -19.014 -14.115 248 HE2 LYS 31 2HE LYS 31 4.862 -17.340 -15.692 249 HE3 LYS 31 3HE LYS 31 4.803 -18.574 -16.949 250 HZ1 LYS 31 3HZ LYS 31 3.236 -19.823 -15.595 251 HZ2 LYS 31 1HZ LYS 31 2.648 -18.268 -15.910 252 HZ3 LYS 31 2HZ LYS 31 3.294 -18.639 -14.392 253 H GLY 32 H GLY 32 6.221 -14.979 -13.351 254 HA2 GLY 32 2HA GLY 32 8.363 -12.998 -12.989 255 HA3 GLY 32 3HA GLY 32 7.208 -12.715 -14.281 256 H THR 33 H THR 33 6.440 -10.806 -13.381 257 HA THR 33 HA THR 33 4.667 -11.135 -11.046 258 HB THR 33 HB THR 33 5.237 -8.816 -10.314 259 HG1 THR 33 HG1 THR 33 6.153 -7.889 -12.108 260 HG21 THR 33 3HG2 THR 33 6.288 -10.744 -9.210 261 HG22 THR 33 1HG2 THR 33 7.378 -9.358 -9.263 262 HG23 THR 33 2HG2 THR 33 7.603 -10.700 -10.384 263 H SER 34 H SER 34 2.850 -9.738 -10.991 264 HA SER 34 HA SER 34 2.301 -8.048 -13.313 265 HB2 SER 34 2HB SER 34 1.442 -10.186 -14.078 266 HB3 SER 34 3HB SER 34 0.572 -10.426 -12.563 267 HG SER 34 HG SER 34 -1.022 -9.448 -13.513 268 HA PRO 35 HA PRO 35 0.480 -5.511 -10.090 269 HB2 PRO 35 2HB PRO 35 -1.173 -4.448 -12.339 270 HB3 PRO 35 3HB PRO 35 -0.167 -3.581 -11.172 271 HG2 PRO 35 2HG PRO 35 0.646 -3.903 -13.690 272 HG3 PRO 35 3HG PRO 35 1.797 -4.014 -12.343 273 HD2 PRO 35 2HD PRO 35 0.544 -6.205 -13.959 274 HD3 PRO 35 3HD PRO 35 2.204 -6.069 -13.342 275 H LEU 36 H LEU 36 -0.896 -6.533 -8.742 276 HA LEU 36 HA LEU 36 -3.113 -8.110 -9.639 277 HB2 LEU 36 2HB LEU 36 -1.815 -8.692 -7.638 278 HB3 LEU 36 3HB LEU 36 -2.319 -7.201 -6.863 279 HG LEU 36 HG LEU 36 -4.704 -8.051 -7.009 280 HD11 LEU 36 1HD1 LEU 36 -4.415 -9.707 -8.750 281 HD12 LEU 36 2HD1 LEU 36 -5.005 -10.472 -7.275 282 HD13 LEU 36 3HD1 LEU 36 -3.307 -10.625 -7.729 283 HD21 LEU 36 3HD2 LEU 36 -3.454 -8.110 -4.927 284 HD22 LEU 36 1HD2 LEU 36 -2.735 -9.655 -5.379 285 HD23 LEU 36 2HD2 LEU 36 -4.470 -9.542 -5.079 286 H THR 37 H THR 37 -2.822 -5.058 -7.823 287 HA THR 37 HA THR 37 -5.639 -4.432 -8.512 288 HB THR 37 HB THR 37 -5.773 -3.021 -6.549 289 HG1 THR 37 HG1 THR 37 -3.945 -2.176 -5.900 290 HG21 THR 37 3HG2 THR 37 -4.539 -5.688 -5.835 291 HG22 THR 37 1HG2 THR 37 -6.245 -5.388 -6.166 292 HG23 THR 37 2HG2 THR 37 -5.484 -4.673 -4.746 293 H SER 38 H SER 38 -5.956 -1.891 -8.374 294 HA SER 38 HA SER 38 -3.897 -0.654 -10.068 295 HB2 SER 38 2HB SER 38 -6.252 -0.558 -10.852 296 HB3 SER 38 3HB SER 38 -6.686 0.346 -9.402 297 HG SER 38 HG SER 38 -6.154 2.042 -10.522 298 H TYR 39 H TYR 39 -3.820 1.894 -9.617 299 HA TYR 39 HA TYR 39 -2.731 2.130 -6.935 300 HB2 TYR 39 2HB TYR 39 -2.779 4.034 -9.285 301 HB3 TYR 39 3HB TYR 39 -2.062 4.438 -7.729 302 HD1 TYR 39 HD1 TYR 39 -1.778 2.197 -10.668 303 HD2 TYR 39 HD2 TYR 39 0.096 3.617 -7.114 304 HE1 TYR 39 HE1 TYR 39 0.335 1.155 -11.370 305 HE2 TYR 39 HE2 TYR 39 2.213 2.578 -7.811 306 HH TYR 39 HH TYR 39 2.658 1.274 -10.994 307 H PHE 40 H PHE 40 -3.959 2.685 -5.262 308 HA PHE 40 HA PHE 40 -6.307 4.421 -5.684 309 HB2 PHE 40 2HB PHE 40 -5.618 2.714 -3.277 310 HB3 PHE 40 3HB PHE 40 -7.139 3.555 -3.565 311 HD1 PHE 40 HD1 PHE 40 -8.274 2.925 -5.904 312 HD2 PHE 40 HD2 PHE 40 -5.550 0.450 -3.753 313 HE1 PHE 40 HE1 PHE 40 -9.150 0.945 -7.073 314 HE2 PHE 40 HE2 PHE 40 -6.428 -1.532 -4.917 315 HZ PHE 40 HZ PHE 40 -8.231 -1.284 -6.580 316 H PHE 41 H PHE 41 -6.081 6.520 -5.196 317 HA PHE 41 HA PHE 41 -3.730 7.394 -3.715 318 HB2 PHE 41 2HB PHE 41 -5.748 8.904 -5.387 319 HB3 PHE 41 3HB PHE 41 -4.415 9.679 -4.539 320 HD1 PHE 41 HD1 PHE 41 -5.205 7.166 -7.159 321 HD2 PHE 41 HD2 PHE 41 -2.276 9.779 -5.503 322 HE1 PHE 41 HE1 PHE 41 -3.739 6.746 -9.090 323 HE2 PHE 41 HE2 PHE 41 -0.808 9.360 -7.431 324 HZ PHE 41 HZ PHE 41 -1.537 7.843 -9.227 325 H TRP 42 H TRP 42 -3.833 7.744 -1.617 326 HA TRP 42 HA TRP 42 -6.242 8.842 -0.353 327 HB2 TRP 42 2HB TRP 42 -5.516 7.126 1.015 328 HB3 TRP 42 3HB TRP 42 -3.830 7.348 0.580 329 HD1 TRP 42 HD1 TRP 42 -2.403 9.056 2.041 330 HE1 TRP 42 HE1 TRP 42 -2.765 10.081 4.355 331 HE3 TRP 42 HE3 TRP 42 -7.373 8.013 2.611 332 HZ2 TRP 42 HZ2 TRP 42 -4.866 10.422 6.191 333 HZ3 TRP 42 HZ3 TRP 42 -8.486 8.721 4.691 334 HH2 TRP 42 HH2 TRP 42 -7.256 9.901 6.445 335 HA PRO 43 HA PRO 43 -6.935 10.027 1.120 336 HB2 PRO 43 2HB PRO 43 -7.837 12.344 2.053 337 HB3 PRO 43 3HB PRO 43 -6.445 11.561 2.815 338 HG2 PRO 43 2HG PRO 43 -6.518 13.888 0.940 339 HG3 PRO 43 3HG PRO 43 -5.474 13.612 2.345 340 HD2 PRO 43 2HD PRO 43 -4.807 13.119 -0.354 341 HD3 PRO 43 3HD PRO 43 -3.910 12.557 1.070 342 H ARG 44 H ARG 44 -6.482 10.828 -1.779 343 HA ARG 44 HA ARG 44 -8.637 12.517 -2.580 344 HB2 ARG 44 2HB ARG 44 -7.161 10.488 -4.276 345 HB3 ARG 44 3HB ARG 44 -8.064 11.886 -4.847 346 HG2 ARG 44 2HG ARG 44 -5.533 11.961 -3.211 347 HG3 ARG 44 3HG ARG 44 -5.663 12.285 -4.940 348 HD2 ARG 44 2HD ARG 44 -6.927 14.266 -4.561 349 HD3 ARG 44 3HD ARG 44 -7.161 13.871 -2.857 350 HE ARG 44 HE ARG 44 -4.415 14.075 -3.353 351 HH11 ARG 44 1HH1 ARG 44 -7.180 16.121 -3.372 352 HH12 ARG 44 2HH1 ARG 44 -6.298 17.493 -2.798 353 HH21 ARG 44 1HH2 ARG 44 -3.290 15.843 -2.640 354 HH22 ARG 44 2HH2 ARG 44 -4.124 17.341 -2.393 355 H ALA 45 H ALA 45 -8.346 9.102 -1.988 356 HA ALA 45 HA ALA 45 -11.228 8.784 -2.189 357 HB1 ALA 45 3HB ALA 45 -11.120 6.853 -3.676 358 HB2 ALA 45 1HB ALA 45 -9.371 7.046 -3.820 359 HB3 ALA 45 2HB ALA 45 -10.451 8.281 -4.468 360 H ASP 46 H ASP 46 -11.848 6.479 -1.487 361 HA ASP 46 HA ASP 46 -10.580 5.845 0.975 362 HB2 ASP 46 2HB ASP 46 -12.613 4.291 -0.644 363 HB3 ASP 46 3HB ASP 46 -12.149 3.919 1.016 364 H ALA 47 H ALA 47 -8.383 5.576 0.161 365 HA ALA 47 HA ALA 47 -7.504 3.713 -1.684 366 HB1 ALA 47 3HB ALA 47 -6.090 5.470 -0.727 367 HB2 ALA 47 1HB ALA 47 -5.316 3.887 -0.626 368 HB3 ALA 47 2HB ALA 47 -6.051 4.602 0.809 369 H TRP 48 H TRP 48 -7.701 3.222 1.852 370 HA TRP 48 HA TRP 48 -6.756 0.566 1.809 371 HB2 TRP 48 2HB TRP 48 -6.788 2.088 3.804 372 HB3 TRP 48 3HB TRP 48 -8.527 1.837 3.916 373 HD1 TRP 48 HD1 TRP 48 -5.266 -0.260 4.051 374 HE1 TRP 48 HE1 TRP 48 -5.653 -2.227 5.660 375 HE3 TRP 48 HE3 TRP 48 -10.208 0.528 5.131 376 HZ2 TRP 48 HZ2 TRP 48 -7.768 -3.311 7.187 377 HZ3 TRP 48 HZ3 TRP 48 -11.337 -1.021 6.679 378 HH2 TRP 48 HH2 TRP 48 -10.141 -2.900 7.684 379 H GLN 49 H GLN 49 -10.097 1.837 1.969 380 HA GLN 49 HA GLN 49 -11.414 -0.639 2.109 381 HB2 GLN 49 2HB GLN 49 -12.596 1.406 2.618 382 HB3 GLN 49 3HB GLN 49 -12.349 2.012 0.987 383 HG2 GLN 49 2HG GLN 49 -14.638 1.234 1.317 384 HG3 GLN 49 3HG GLN 49 -13.804 0.283 0.092 385 HE21 GLN 49 1HE2 GLN 49 -13.303 -0.125 3.539 386 HE22 GLN 49 2HE2 GLN 49 -14.027 -1.686 3.640 387 H GLN 50 H GLN 50 -10.669 1.360 -0.759 388 HA GLN 50 HA GLN 50 -11.780 -0.376 -2.668 389 HB2 GLN 50 2HB GLN 50 -9.537 1.636 -2.903 390 HB3 GLN 50 3HB GLN 50 -10.252 0.811 -4.283 391 HG2 GLN 50 2HG GLN 50 -12.389 1.830 -3.856 392 HG3 GLN 50 3HG GLN 50 -11.797 2.539 -2.354 393 HE21 GLN 50 1HE2 GLN 50 -9.227 3.293 -3.481 394 HE22 GLN 50 2HE2 GLN 50 -9.528 4.631 -4.525 395 H LEU 51 H LEU 51 -8.481 -0.241 -1.335 396 HA LEU 51 HA LEU 51 -7.344 -2.224 -2.974 397 HB2 LEU 51 2HB LEU 51 -6.001 -0.722 -1.589 398 HB3 LEU 51 3HB LEU 51 -6.639 -1.467 -0.135 399 HG LEU 51 HG LEU 51 -5.553 -3.598 -0.744 400 HD11 LEU 51 1HD1 LEU 51 -4.421 -2.047 -3.074 401 HD12 LEU 51 2HD1 LEU 51 -5.577 -3.378 -3.161 402 HD13 LEU 51 3HD1 LEU 51 -3.939 -3.672 -2.582 403 HD21 LEU 51 3HD2 LEU 51 -3.240 -2.916 -0.339 404 HD22 LEU 51 1HD2 LEU 51 -4.357 -2.026 0.695 405 HD23 LEU 51 2HD2 LEU 51 -3.655 -1.247 -0.723 406 H LYS 52 H LYS 52 -8.713 -2.546 0.323 407 HA LYS 52 HA LYS 52 -8.360 -5.337 0.487 408 HB2 LYS 52 2HB LYS 52 -9.755 -5.296 2.424 409 HB3 LYS 52 3HB LYS 52 -8.813 -3.812 2.426 410 HG2 LYS 52 2HG LYS 52 -10.789 -2.622 1.491 411 HG3 LYS 52 3HG LYS 52 -11.717 -4.115 1.670 412 HD2 LYS 52 2HD LYS 52 -10.379 -2.555 3.889 413 HD3 LYS 52 3HD LYS 52 -12.111 -2.622 3.556 414 HE2 LYS 52 2HE LYS 52 -10.410 -5.006 4.298 415 HE3 LYS 52 3HE LYS 52 -11.391 -4.084 5.434 416 HZ1 LYS 52 3HZ LYS 52 -13.364 -4.696 4.186 417 HZ2 LYS 52 1HZ LYS 52 -12.529 -6.077 4.687 418 HZ3 LYS 52 2HZ LYS 52 -12.434 -5.568 3.076 419 H ASP 53 H ASP 53 -11.041 -3.400 -0.765 420 HA ASP 53 HA ASP 53 -12.936 -5.438 -1.074 421 HB2 ASP 53 2HB ASP 53 -13.384 -2.993 -1.310 422 HB3 ASP 53 3HB ASP 53 -12.550 -3.021 -2.863 423 H GLU 54 H GLU 54 -10.444 -4.277 -3.352 424 HA GLU 54 HA GLU 54 -10.897 -6.084 -5.442 425 HB2 GLU 54 2HB GLU 54 -8.306 -4.859 -4.462 426 HB3 GLU 54 3HB GLU 54 -8.460 -5.745 -5.972 427 HG2 GLU 54 2HG GLU 54 -10.013 -3.248 -5.305 428 HG3 GLU 54 3HG GLU 54 -8.500 -3.271 -6.212 429 H LEU 55 H LEU 55 -8.801 -6.404 -2.586 430 HA LEU 55 HA LEU 55 -7.763 -8.955 -3.188 431 HB2 LEU 55 2HB LEU 55 -8.159 -7.620 -0.507 432 HB3 LEU 55 3HB LEU 55 -7.161 -9.034 -0.786 433 HG LEU 55 HG LEU 55 -6.673 -6.309 -2.015 434 HD11 LEU 55 1HD1 LEU 55 -6.302 -6.278 0.399 435 HD12 LEU 55 2HD1 LEU 55 -4.779 -6.153 -0.481 436 HD13 LEU 55 3HD1 LEU 55 -5.246 -7.684 0.265 437 HD21 LEU 55 3HD2 LEU 55 -5.853 -8.113 -3.427 438 HD22 LEU 55 1HD2 LEU 55 -5.013 -8.837 -2.055 439 HD23 LEU 55 2HD2 LEU 55 -4.503 -7.266 -2.674 440 H GLU 56 H GLU 56 -10.684 -7.993 -1.434 441 HA GLU 56 HA GLU 56 -11.377 -10.672 -0.659 442 HB2 GLU 56 2HB GLU 56 -13.047 -8.146 -0.727 443 HB3 GLU 56 3HB GLU 56 -13.554 -9.665 0.004 444 HG2 GLU 56 2HG GLU 56 -11.707 -9.520 1.601 445 HG3 GLU 56 3HG GLU 56 -11.181 -8.009 0.862 446 H ALA 57 H ALA 57 -12.158 -8.564 -3.368 447 HA ALA 57 HA ALA 57 -14.218 -10.162 -4.504 448 HB1 ALA 57 3HB ALA 57 -12.359 -8.201 -5.855 449 HB2 ALA 57 1HB ALA 57 -13.909 -7.812 -5.108 450 HB3 ALA 57 2HB ALA 57 -13.852 -8.846 -6.537 451 H LYS 58 H LYS 58 -10.705 -10.047 -4.968 452 HA LYS 58 HA LYS 58 -10.717 -12.306 -6.793 453 HB2 LYS 58 2HB LYS 58 -8.393 -10.962 -5.387 454 HB3 LYS 58 3HB LYS 58 -8.281 -12.090 -6.733 455 HG2 LYS 58 2HG LYS 58 -9.265 -10.516 -8.238 456 HG3 LYS 58 3HG LYS 58 -9.691 -9.431 -6.911 457 HD2 LYS 58 2HD LYS 58 -7.273 -9.130 -6.438 458 HD3 LYS 58 3HD LYS 58 -6.900 -10.130 -7.844 459 HE2 LYS 58 2HE LYS 58 -8.465 -7.543 -7.917 460 HE3 LYS 58 3HE LYS 58 -6.751 -7.695 -8.297 461 HZ1 LYS 58 3HZ LYS 58 -8.197 -7.669 -10.267 462 HZ2 LYS 58 1HZ LYS 58 -8.924 -9.106 -9.753 463 HZ3 LYS 58 2HZ LYS 58 -7.281 -9.086 -10.159 464 H HIS 59 H HIS 59 -11.608 -14.015 -5.671 465 HA HIS 59 HA HIS 59 -11.304 -14.411 -2.897 466 HB2 HIS 59 2HB HIS 59 -12.296 -16.359 -4.989 467 HB3 HIS 59 3HB HIS 59 -12.562 -16.487 -3.252 468 HD1 HIS 59 HD1 HIS 59 -13.821 -14.790 -6.292 469 HD2 HIS 59 HD2 HIS 59 -14.368 -14.557 -2.180 470 HE1 HIS 59 HE1 HIS 59 -15.870 -13.377 -5.966 471 HE2 HIS 59 HE2 HIS 59 -16.079 -13.113 -3.476 472 H TRP 60 H TRP 60 -9.176 -15.341 -5.416 473 HA TRP 60 HA TRP 60 -8.106 -17.635 -4.037 474 HB2 TRP 60 2HB TRP 60 -6.398 -17.690 -5.785 475 HB3 TRP 60 3HB TRP 60 -8.008 -17.549 -6.473 476 HD1 TRP 60 HD1 TRP 60 -8.672 -14.952 -7.331 477 HE1 TRP 60 HE1 TRP 60 -7.151 -13.239 -8.506 478 HE3 TRP 60 HE3 TRP 60 -4.118 -16.858 -6.002 479 HZ2 TRP 60 HZ2 TRP 60 -4.391 -12.760 -8.829 480 HZ3 TRP 60 HZ3 TRP 60 -2.087 -15.714 -6.787 481 HH2 TRP 60 HH2 TRP 60 -2.221 -13.707 -8.173 482 H ILE 61 H ILE 61 -7.745 -14.305 -3.594 483 HA ILE 61 HA ILE 61 -5.084 -14.379 -2.463 484 HB ILE 61 HB ILE 61 -7.281 -12.300 -2.404 485 HG12 ILE 61 2HG1 ILE 61 -5.646 -10.923 -3.623 486 HG13 ILE 61 3HG1 ILE 61 -4.455 -12.214 -3.511 487 HG21 ILE 61 1HG2 ILE 61 -4.632 -12.167 -0.954 488 HG22 ILE 61 2HG2 ILE 61 -6.237 -12.191 -0.221 489 HG23 ILE 61 3HG2 ILE 61 -5.730 -10.806 -1.186 490 HD11 ILE 61 3HD1 ILE 61 -5.802 -13.609 -4.947 491 HD12 ILE 61 1HD1 ILE 61 -5.492 -12.054 -5.716 492 HD13 ILE 61 2HD1 ILE 61 -7.066 -12.382 -4.992 493 H ALA 62 H ALA 62 -4.723 -15.538 -0.671 494 HA ALA 62 HA ALA 62 -6.721 -16.417 1.104 495 HB1 ALA 62 3HB ALA 62 -4.634 -17.629 0.752 496 HB2 ALA 62 1HB ALA 62 -4.890 -17.288 2.462 497 HB3 ALA 62 2HB ALA 62 -3.734 -16.330 1.534 498 H GLU 63 H GLU 63 -7.049 -15.962 3.332 499 HA GLU 63 HA GLU 63 -7.436 -13.348 4.071 500 HB2 GLU 63 2HB GLU 63 -8.470 -15.180 5.266 501 HB3 GLU 63 3HB GLU 63 -6.906 -15.737 5.845 502 HG2 GLU 63 2HG GLU 63 -6.692 -13.519 7.040 503 HG3 GLU 63 3HG GLU 63 -8.382 -13.232 6.628 504 H ALA 64 H ALA 64 -4.702 -15.374 5.201 505 HA ALA 64 HA ALA 64 -3.354 -13.505 6.707 506 HB1 ALA 64 3HB ALA 64 -2.113 -15.652 4.988 507 HB2 ALA 64 1HB ALA 64 -2.773 -15.883 6.607 508 HB3 ALA 64 2HB ALA 64 -1.358 -14.857 6.371 509 H ASP 65 H ASP 65 -3.064 -14.034 3.192 510 HA ASP 65 HA ASP 65 -0.983 -12.147 2.797 511 HB2 ASP 65 2HB ASP 65 -2.990 -13.273 0.829 512 HB3 ASP 65 3HB ASP 65 -1.542 -12.363 0.394 513 H ARG 66 H ARG 66 -4.529 -11.891 2.292 514 HA ARG 66 HA ARG 66 -4.464 -9.230 1.349 515 HB2 ARG 66 2HB ARG 66 -6.867 -9.151 1.769 516 HB3 ARG 66 3HB ARG 66 -6.423 -10.676 1.022 517 HG2 ARG 66 2HG ARG 66 -6.569 -11.788 3.191 518 HG3 ARG 66 3HG ARG 66 -6.998 -10.255 3.951 519 HD2 ARG 66 2HD ARG 66 -9.007 -11.548 3.585 520 HD3 ARG 66 3HD ARG 66 -9.018 -10.151 2.511 521 HE ARG 66 HE ARG 66 -7.932 -12.204 1.033 522 HH11 ARG 66 1HH1 ARG 66 -10.901 -11.707 2.711 523 HH12 ARG 66 2HH1 ARG 66 -11.808 -12.671 1.600 524 HH21 ARG 66 1HH2 ARG 66 -9.128 -13.456 -0.368 525 HH22 ARG 66 2HH2 ARG 66 -10.827 -13.642 -0.101 526 H ILE 67 H ILE 67 -4.785 -10.523 4.645 527 HA ILE 67 HA ILE 67 -5.175 -7.998 5.910 528 HB ILE 67 HB ILE 67 -4.139 -10.600 7.070 529 HG12 ILE 67 2HG1 ILE 67 -6.400 -10.803 6.136 530 HG13 ILE 67 3HG1 ILE 67 -6.454 -10.880 7.893 531 HG21 ILE 67 1HG2 ILE 67 -5.155 -8.126 8.479 532 HG22 ILE 67 2HG2 ILE 67 -3.496 -8.727 8.487 533 HG23 ILE 67 3HG2 ILE 67 -4.777 -9.664 9.258 534 HD11 ILE 67 3HD1 ILE 67 -7.191 -8.543 7.964 535 HD12 ILE 67 1HD1 ILE 67 -8.285 -9.553 7.020 536 HD13 ILE 67 2HD1 ILE 67 -7.148 -8.484 6.202 537 H ASN 68 H ASN 68 -2.281 -10.008 5.372 538 HA ASN 68 HA ASN 68 -0.350 -8.551 6.705 539 HB2 ASN 68 2HB ASN 68 0.152 -10.678 5.643 540 HB3 ASN 68 3HB ASN 68 -0.144 -9.996 4.048 541 HD21 ASN 68 1HD2 ASN 68 1.864 -10.381 3.230 542 HD22 ASN 68 2HD2 ASN 68 3.288 -9.571 3.784 543 H VAL 69 H VAL 69 -1.216 -8.136 3.249 544 HA VAL 69 HA VAL 69 0.438 -5.870 2.881 545 HB VAL 69 HB VAL 69 -0.744 -5.540 0.743 546 HG11 VAL 69 1HG1 VAL 69 1.074 -7.172 0.875 547 HG12 VAL 69 2HG1 VAL 69 -0.158 -7.699 -0.270 548 HG13 VAL 69 3HG1 VAL 69 -0.075 -8.432 1.332 549 HG21 VAL 69 3HG2 VAL 69 -2.532 -7.099 0.075 550 HG22 VAL 69 1HG2 VAL 69 -3.014 -6.089 1.439 551 HG23 VAL 69 2HG2 VAL 69 -2.547 -7.769 1.707 552 H LEU 70 H LEU 70 -2.945 -6.161 3.878 553 HA LEU 70 HA LEU 70 -3.610 -3.418 3.590 554 HB2 LEU 70 2HB LEU 70 -4.761 -5.606 5.312 555 HB3 LEU 70 3HB LEU 70 -5.404 -3.973 5.325 556 HG LEU 70 HG LEU 70 -5.280 -5.781 2.903 557 HD11 LEU 70 1HD1 LEU 70 -7.631 -4.971 4.616 558 HD12 LEU 70 2HD1 LEU 70 -6.886 -6.569 4.556 559 HD13 LEU 70 3HD1 LEU 70 -7.704 -5.927 3.134 560 HD21 LEU 70 3HD2 LEU 70 -5.105 -3.427 2.292 561 HD22 LEU 70 1HD2 LEU 70 -6.535 -3.052 3.258 562 HD23 LEU 70 2HD2 LEU 70 -6.678 -4.077 1.829 563 H ASN 71 H ASN 71 -2.321 -5.259 6.358 564 HA ASN 71 HA ASN 71 -2.418 -3.136 8.220 565 HB2 ASN 71 2HB ASN 71 -0.551 -5.523 8.133 566 HB3 ASN 71 3HB ASN 71 -0.744 -4.447 9.515 567 HD21 ASN 71 1HD2 ASN 71 -1.201 -7.227 9.557 568 HD22 ASN 71 2HD2 ASN 71 -2.874 -7.478 9.890 569 H GLN 72 H GLN 72 0.321 -4.310 6.229 570 HA GLN 72 HA GLN 72 2.124 -2.301 7.081 571 HB2 GLN 72 2HB GLN 72 3.548 -3.009 5.227 572 HB3 GLN 72 3HB GLN 72 2.884 -4.401 6.067 573 HG2 GLN 72 2HG GLN 72 1.158 -4.574 4.276 574 HG3 GLN 72 3HG GLN 72 2.001 -3.292 3.411 575 HE21 GLN 72 1HE2 GLN 72 3.562 -5.847 5.253 576 HE22 GLN 72 2HE2 GLN 72 4.279 -6.638 3.896 577 H ALA 73 H ALA 73 -0.199 -2.403 4.405 578 HA ALA 73 HA ALA 73 0.568 0.015 3.151 579 HB1 ALA 73 3HB ALA 73 -1.658 0.002 2.138 580 HB2 ALA 73 1HB ALA 73 -2.173 -1.251 3.268 581 HB3 ALA 73 2HB ALA 73 -0.922 -1.598 2.075 582 H THR 74 H THR 74 -1.835 -0.637 5.703 583 HA THR 74 HA THR 74 -2.815 1.949 6.075 584 HB THR 74 HB THR 74 -2.405 -0.209 8.169 585 HG1 THR 74 HG1 THR 74 -3.881 -0.999 6.783 586 HG21 THR 74 3HG2 THR 74 -4.120 0.974 9.475 587 HG22 THR 74 1HG2 THR 74 -4.147 2.266 8.276 588 HG23 THR 74 2HG2 THR 74 -2.693 1.983 9.235 589 H GLU 75 H GLU 75 0.025 0.394 7.559 590 HA GLU 75 HA GLU 75 0.822 2.482 9.230 591 HB2 GLU 75 2HB GLU 75 2.567 0.525 7.716 592 HB3 GLU 75 3HB GLU 75 3.098 1.520 9.066 593 HG2 GLU 75 2HG GLU 75 1.358 0.383 10.470 594 HG3 GLU 75 3HG GLU 75 1.082 -0.717 9.119 595 H VAL 76 H VAL 76 1.695 1.893 5.821 596 HA VAL 76 HA VAL 76 3.364 4.133 5.484 597 HB VAL 76 HB VAL 76 1.639 2.779 3.392 598 HG11 VAL 76 1HG1 VAL 76 4.064 4.560 3.083 599 HG12 VAL 76 2HG1 VAL 76 2.407 4.956 2.624 600 HG13 VAL 76 3HG1 VAL 76 3.274 3.677 1.777 601 HG21 VAL 76 3HG2 VAL 76 3.676 1.497 2.854 602 HG22 VAL 76 1HG2 VAL 76 3.121 1.192 4.500 603 HG23 VAL 76 2HG2 VAL 76 4.501 2.252 4.218 604 H ILE 77 H ILE 77 -0.136 3.774 4.942 605 HA ILE 77 HA ILE 77 -0.714 6.338 3.987 606 HB ILE 77 HB ILE 77 -2.404 4.499 5.699 607 HG12 ILE 77 2HG1 ILE 77 -2.373 4.975 2.703 608 HG13 ILE 77 3HG1 ILE 77 -1.719 3.562 3.523 609 HG21 ILE 77 1HG2 ILE 77 -3.244 6.776 5.882 610 HG22 ILE 77 2HG2 ILE 77 -4.342 5.788 4.921 611 HG23 ILE 77 3HG2 ILE 77 -3.261 6.930 4.124 612 HD11 ILE 77 3HD1 ILE 77 -4.615 4.386 3.470 613 HD12 ILE 77 1HD1 ILE 77 -3.957 2.967 4.288 614 HD13 ILE 77 2HD1 ILE 77 -3.879 3.089 2.530 615 H ASN 78 H ASN 78 -0.841 5.159 7.361 616 HA ASN 78 HA ASN 78 -1.394 7.662 8.545 617 HB2 ASN 78 2HB ASN 78 -0.071 5.212 9.736 618 HB3 ASN 78 3HB ASN 78 -0.666 6.588 10.664 619 HD21 ASN 78 1HD2 ASN 78 -1.485 3.801 10.761 620 HD22 ASN 78 2HD2 ASN 78 -3.181 3.798 10.434 621 H PHE 79 H PHE 79 1.627 6.105 7.665 622 HA PHE 79 HA PHE 79 3.412 7.834 9.002 623 HB2 PHE 79 2HB PHE 79 4.080 5.662 8.073 624 HB3 PHE 79 3HB PHE 79 3.786 6.256 6.445 625 HD1 PHE 79 HD2 PHE 79 5.863 6.943 9.467 626 HD2 PHE 79 HD1 PHE 79 5.546 7.170 5.222 627 HE1 PHE 79 HE2 PHE 79 8.209 7.675 9.330 628 HE2 PHE 79 HE1 PHE 79 7.893 7.899 5.082 629 HZ PHE 79 HZ PHE 79 9.226 8.152 7.140 630 H TRP 80 H TRP 80 2.145 7.914 5.661 631 HA TRP 80 HA TRP 80 3.417 10.226 4.763 632 HB2 TRP 80 2HB TRP 80 2.115 8.732 3.293 633 HB3 TRP 80 3HB TRP 80 0.627 9.241 4.085 634 HD1 TRP 80 HD1 TRP 80 3.345 10.576 1.705 635 HE1 TRP 80 HE1 TRP 80 2.378 12.568 0.398 636 HE3 TRP 80 HE3 TRP 80 -1.156 11.047 4.130 637 HZ2 TRP 80 HZ2 TRP 80 0.031 14.135 0.394 638 HZ3 TRP 80 HZ3 TRP 80 -2.698 12.823 3.400 639 HH2 TRP 80 HH2 TRP 80 -2.114 14.333 1.572 640 H GLN 81 H GLN 81 0.162 9.953 6.216 641 HA GLN 81 HA GLN 81 -0.467 12.655 6.425 642 HB2 GLN 81 2HB GLN 81 -2.063 10.845 6.856 643 HB3 GLN 81 3HB GLN 81 -1.180 10.388 8.305 644 HG2 GLN 81 2HG GLN 81 -1.712 12.635 9.254 645 HG3 GLN 81 3HG GLN 81 -2.727 12.933 7.843 646 HE21 GLN 81 1HE2 GLN 81 -4.600 13.092 9.071 647 HE22 GLN 81 2HE2 GLN 81 -5.334 11.724 9.827 648 H ASP 82 H ASP 82 1.249 10.586 8.725 649 HA ASP 82 HA ASP 82 1.541 12.316 10.870 650 HB2 ASP 82 2HB ASP 82 2.057 9.916 10.931 651 HB3 ASP 82 3HB ASP 82 3.446 10.178 9.884 652 H LEU 83 H LEU 83 3.678 11.907 8.056 653 HA LEU 83 HA LEU 83 5.659 13.756 8.859 654 HB2 LEU 83 2HB LEU 83 4.864 12.981 6.049 655 HB3 LEU 83 3HB LEU 83 6.376 13.732 6.524 656 HG LEU 83 HG LEU 83 5.460 10.953 7.284 657 HD11 LEU 83 1HD1 LEU 83 7.639 11.882 5.414 658 HD12 LEU 83 2HD1 LEU 83 6.119 11.116 4.951 659 HD13 LEU 83 3HD1 LEU 83 7.320 10.210 5.871 660 HD21 LEU 83 3HD2 LEU 83 8.049 12.372 7.928 661 HD22 LEU 83 1HD2 LEU 83 7.674 10.688 8.287 662 HD23 LEU 83 2HD2 LEU 83 6.771 11.980 9.080 663 H LYS 84 H LYS 84 2.606 14.156 7.148 664 HA LYS 84 HA LYS 84 3.127 16.756 6.132 665 HB2 LYS 84 2HB LYS 84 0.443 15.472 6.684 666 HB3 LYS 84 3HB LYS 84 0.729 16.867 5.653 667 HG2 LYS 84 2HG LYS 84 1.713 14.055 5.177 668 HG3 LYS 84 3HG LYS 84 0.401 14.866 4.321 669 HD2 LYS 84 2HD LYS 84 3.251 15.877 4.328 670 HD3 LYS 84 3HD LYS 84 2.635 14.753 3.119 671 HE2 LYS 84 2HE LYS 84 2.485 16.906 2.150 672 HE3 LYS 84 3HE LYS 84 0.843 16.472 2.613 673 HZ1 LYS 84 3HZ LYS 84 2.652 18.240 4.165 674 HZ2 LYS 84 1HZ LYS 84 1.057 17.860 4.570 675 HZ3 LYS 84 2HZ LYS 84 1.382 18.761 3.181 676 H ASN 85 H ASN 85 1.347 15.672 9.051 677 HA ASN 85 HA ASN 85 0.752 18.363 9.858 678 HB2 ASN 85 2HB ASN 85 -0.054 17.373 11.961 679 HB3 ASN 85 3HB ASN 85 -0.705 16.532 10.558 680 HD21 ASN 85 1HD2 ASN 85 1.520 16.336 13.232 681 HD22 ASN 85 2HD2 ASN 85 1.729 14.620 13.171 682 H GLN 86 H GLN 86 3.456 16.224 10.366 683 HA GLN 86 HA GLN 86 4.575 17.982 12.431 684 HB2 GLN 86 2HB GLN 86 5.570 15.372 11.279 685 HB3 GLN 86 3HB GLN 86 6.444 16.307 12.482 686 HG2 GLN 86 2HG GLN 86 4.452 16.088 13.983 687 HG3 GLN 86 3HG GLN 86 3.763 14.975 12.802 688 HE21 GLN 86 1HE2 GLN 86 4.743 12.954 12.502 689 HE22 GLN 86 2HE2 GLN 86 5.839 12.295 13.657 690 H ASN 87 H ASN 87 4.440 18.146 9.186 691 HA ASN 87 HA ASN 87 5.544 19.383 7.623 692 HB2 ASN 87 2HB ASN 87 7.039 20.543 9.989 693 HB3 ASN 87 3HB ASN 87 6.896 21.267 8.391 694 HD21 ASN 87 1HD2 ASN 87 4.927 22.198 7.782 695 HD22 ASN 87 2HD2 ASN 87 3.711 22.586 8.942 696 H LYS 88 H LYS 88 6.765 16.774 8.564 697 HA LYS 88 HA LYS 88 9.617 17.144 8.495 698 HB2 LYS 88 2HB LYS 88 7.997 14.597 8.274 699 HB3 LYS 88 3HB LYS 88 9.739 14.679 8.497 700 HG2 LYS 88 2HG LYS 88 9.320 15.880 10.659 701 HG3 LYS 88 3HG LYS 88 7.602 15.538 10.440 702 HD2 LYS 88 2HD LYS 88 8.118 13.118 10.365 703 HD3 LYS 88 3HD LYS 88 9.820 13.490 10.647 704 HE2 LYS 88 2HE LYS 88 7.528 14.089 12.518 705 HE3 LYS 88 3HE LYS 88 8.722 12.809 12.714 706 HZ1 LYS 88 3HZ LYS 88 9.235 14.730 14.078 707 HZ2 LYS 88 1HZ LYS 88 9.302 15.722 12.713 708 HZ3 LYS 88 2HZ LYS 88 10.439 14.491 12.919 709 H GLN 89 H GLN 89 10.434 17.919 6.597 710 HA GLN 89 HA GLN 89 9.696 16.695 4.055 711 HB2 GLN 89 2HB GLN 89 11.886 18.715 4.617 712 HB3 GLN 89 3HB GLN 89 11.222 18.295 3.044 713 HG2 GLN 89 2HG GLN 89 9.708 19.647 5.271 714 HG3 GLN 89 3HG GLN 89 10.405 20.454 3.868 715 HE21 GLN 89 1HE2 GLN 89 7.633 20.316 4.766 716 HE22 GLN 89 2HE2 GLN 89 6.746 19.660 3.440 717 H ILE 90 H ILE 90 10.376 14.512 4.670 718 HA ILE 90 HA ILE 90 13.253 14.140 5.078 719 HB ILE 90 HB ILE 90 12.780 11.849 5.686 720 HG12 ILE 90 2HG1 ILE 90 9.851 12.421 5.140 721 HG13 ILE 90 3HG1 ILE 90 10.896 11.508 4.053 722 HG21 ILE 90 1HG2 ILE 90 11.391 12.231 7.685 723 HG22 ILE 90 2HG2 ILE 90 10.874 13.781 7.018 724 HG23 ILE 90 3HG2 ILE 90 12.568 13.519 7.434 725 HD11 ILE 90 3HD1 ILE 90 9.532 10.033 5.411 726 HD12 ILE 90 1HD1 ILE 90 10.193 10.749 6.882 727 HD13 ILE 90 2HD1 ILE 90 11.242 9.836 5.795 728 H SER 91 H SER 91 14.492 12.685 3.886 729 HA SER 91 HA SER 91 14.116 12.685 1.075 730 HB2 SER 91 2HB SER 91 16.027 10.881 2.577 731 HB3 SER 91 3HB SER 91 16.224 11.585 0.973 732 HG SER 91 HG SER 91 16.309 12.915 3.482 733 H MET 92 H MET 92 13.833 10.794 -0.327 734 HA MET 92 HA MET 92 11.690 9.162 0.488 735 HB2 MET 92 2HB MET 92 12.382 9.765 -1.904 736 HB3 MET 92 3HB MET 92 13.543 8.447 -1.785 737 HG2 MET 92 2HG MET 92 11.645 6.912 -1.259 738 HG3 MET 92 3HG MET 92 10.542 8.248 -1.575 739 HE1 MET 92 3HE MET 92 12.883 5.546 -3.030 740 HE2 MET 92 1HE MET 92 13.849 6.984 -3.353 741 HE3 MET 92 2HE MET 92 13.144 6.078 -4.693 742 H ALA 93 H ALA 93 15.159 8.561 0.481 743 HA ALA 93 HA ALA 93 15.122 5.811 1.079 744 HB1 ALA 93 3HB ALA 93 17.181 7.867 1.894 745 HB2 ALA 93 1HB ALA 93 17.139 7.006 0.354 746 HB3 ALA 93 2HB ALA 93 17.414 6.120 1.854 747 H GLU 94 H GLU 94 14.801 8.650 3.148 748 HA GLU 94 HA GLU 94 15.034 7.359 5.646 749 HB2 GLU 94 2HB GLU 94 13.454 9.844 4.924 750 HB3 GLU 94 3HB GLU 94 13.833 9.327 6.563 751 HG2 GLU 94 2HG GLU 94 16.256 9.500 5.981 752 HG3 GLU 94 3HG GLU 94 15.778 10.196 4.437 753 H ALA 95 H ALA 95 12.322 7.729 3.427 754 HA ALA 95 HA ALA 95 10.318 6.595 5.096 755 HB1 ALA 95 3HB ALA 95 9.774 7.862 3.066 756 HB2 ALA 95 1HB ALA 95 9.051 6.253 3.031 757 HB3 ALA 95 2HB ALA 95 10.495 6.592 2.078 758 H GLN 96 H GLN 96 12.531 5.167 2.686 759 HA GLN 96 HA GLN 96 11.748 2.483 2.952 760 HB2 GLN 96 2HB GLN 96 14.267 3.852 2.085 761 HB3 GLN 96 3HB GLN 96 14.307 2.116 2.356 762 HG2 GLN 96 2HG GLN 96 12.341 3.469 0.518 763 HG3 GLN 96 3HG GLN 96 13.895 2.826 -0.010 764 HE21 GLN 96 1HE2 GLN 96 10.727 2.022 1.173 765 HE22 GLN 96 2HE2 GLN 96 10.779 0.347 0.776 766 H GLY 97 H GLY 97 14.032 4.407 4.865 767 HA2 GLY 97 2HA GLY 97 15.090 2.424 6.512 768 HA3 GLY 97 3HA GLY 97 14.847 4.095 6.993 769 H LYS 98 H LYS 98 11.893 3.803 6.530 770 HA LYS 98 HA LYS 98 11.233 2.463 9.053 771 HB2 LYS 98 2HB LYS 98 10.426 4.737 8.866 772 HB3 LYS 98 3HB LYS 98 9.660 4.385 7.324 773 HG2 LYS 98 2HG LYS 98 8.041 4.535 9.164 774 HG3 LYS 98 3HG LYS 98 8.044 2.946 8.403 775 HD2 LYS 98 2HD LYS 98 7.891 2.695 10.801 776 HD3 LYS 98 3HD LYS 98 9.452 2.091 10.248 777 HE2 LYS 98 2HE LYS 98 10.515 4.176 10.967 778 HE3 LYS 98 3HE LYS 98 8.952 4.803 11.490 779 HZ1 LYS 98 3HZ LYS 98 8.816 2.956 13.076 780 HZ2 LYS 98 1HZ LYS 98 10.166 3.933 13.363 781 HZ3 LYS 98 2HZ LYS 98 10.354 2.435 12.604 782 H PHE 99 H PHE 99 10.442 2.328 5.592 783 HA PHE 99 HA PHE 99 9.028 -0.221 6.098 784 HB2 PHE 99 2HB PHE 99 8.284 1.856 4.024 785 HB3 PHE 99 3HB PHE 99 7.506 0.292 4.229 786 HD1 PHE 99 HD2 PHE 99 6.588 -0.164 6.661 787 HD2 PHE 99 HD1 PHE 99 7.320 3.696 5.021 788 HE1 PHE 99 HE2 PHE 99 5.026 0.820 8.285 789 HE2 PHE 99 HE1 PHE 99 5.759 4.681 6.640 790 HZ PHE 99 HZ PHE 99 4.607 3.245 8.275 791 HA PRO 100 HA PRO 100 12.377 -1.028 2.928 792 HB2 PRO 100 2HB PRO 100 13.460 -3.192 4.154 793 HB3 PRO 100 3HB PRO 100 13.949 -1.540 4.549 794 HG2 PRO 100 2HG PRO 100 12.027 -3.339 5.990 795 HG3 PRO 100 3HG PRO 100 13.307 -2.307 6.659 796 HD2 PRO 100 2HD PRO 100 10.691 -1.574 6.637 797 HD3 PRO 100 3HD PRO 100 12.017 -0.398 6.510 798 H GLU 101 H GLU 101 9.825 -2.769 4.457 799 HA GLU 101 HA GLU 101 9.837 -5.003 2.598 800 HB2 GLU 101 2HB GLU 101 7.804 -4.243 4.716 801 HB3 GLU 101 3HB GLU 101 7.894 -5.782 3.868 802 HG2 GLU 101 2HG GLU 101 9.959 -6.336 4.933 803 HG3 GLU 101 3HG GLU 101 10.109 -4.717 5.614 804 H VAL 102 H VAL 102 8.852 -1.846 2.403 805 HA VAL 102 HA VAL 102 6.655 -2.486 0.524 806 HB VAL 102 HB VAL 102 7.064 0.070 2.100 807 HG11 VAL 102 1HG1 VAL 102 4.822 -0.736 0.239 808 HG12 VAL 102 2HG1 VAL 102 6.034 0.510 -0.064 809 HG13 VAL 102 3HG1 VAL 102 4.859 0.721 1.232 810 HG21 VAL 102 3HG2 VAL 102 5.052 -0.589 3.334 811 HG22 VAL 102 1HG2 VAL 102 6.337 -1.782 3.525 812 HG23 VAL 102 2HG2 VAL 102 4.989 -2.105 2.433 813 H VAL 103 H VAL 103 6.845 -1.800 -1.559 814 HA VAL 103 HA VAL 103 9.368 -0.533 -2.335 815 HB VAL 103 HB VAL 103 7.207 -1.743 -4.081 816 HG11 VAL 103 1HG1 VAL 103 10.029 -0.913 -4.780 817 HG12 VAL 103 2HG1 VAL 103 8.553 -0.088 -5.279 818 HG13 VAL 103 3HG1 VAL 103 8.890 -1.718 -5.860 819 HG21 VAL 103 3HG2 VAL 103 8.738 -3.655 -4.316 820 HG22 VAL 103 1HG2 VAL 103 8.225 -3.429 -2.643 821 HG23 VAL 103 2HG2 VAL 103 9.835 -2.916 -3.149 822 H PHE 104 H PHE 104 9.344 1.656 -2.310 823 HA PHE 104 HA PHE 104 6.930 3.140 -2.981 824 HB2 PHE 104 2HB PHE 104 9.674 4.078 -2.107 825 HB3 PHE 104 3HB PHE 104 8.319 5.154 -2.435 826 HD1 PHE 104 HD2 PHE 104 6.359 5.171 -0.951 827 HD2 PHE 104 HD1 PHE 104 9.786 2.802 -0.089 828 HE1 PHE 104 HE2 PHE 104 5.588 4.909 1.372 829 HE2 PHE 104 HE1 PHE 104 9.023 2.531 2.238 830 HZ PHE 104 HZ PHE 104 6.920 3.590 2.970 831 H SER 105 H SER 105 6.790 4.722 -4.605 832 HA SER 105 HA SER 105 8.926 4.969 -6.592 833 HB2 SER 105 2HB SER 105 6.100 4.148 -7.354 834 HB3 SER 105 3HB SER 105 7.377 4.579 -8.488 835 HG SER 105 HG SER 105 8.323 2.695 -6.864 836 H GLY 106 H GLY 106 9.007 7.041 -7.461 837 HA2 GLY 106 2HA GLY 106 6.825 8.866 -6.606 838 HA3 GLY 106 3HA GLY 106 8.522 9.297 -6.507 839 H SER 107 H SER 107 5.729 9.294 -8.425 840 HA SER 107 HA SER 107 7.226 10.355 -10.742 841 HB2 SER 107 2HB SER 107 4.688 8.693 -10.826 842 HB3 SER 107 3HB SER 107 5.520 9.375 -12.225 843 HG SER 107 HG SER 107 6.022 7.128 -11.781 844 H ASN 108 H ASN 108 6.560 12.315 -11.512 845 HA ASN 108 HA ASN 108 4.104 13.465 -10.322 846 HB2 ASN 108 2HB ASN 108 5.287 15.649 -10.173 847 HB3 ASN 108 3HB ASN 108 5.996 14.402 -9.153 848 HD21 ASN 108 1HD2 ASN 108 8.007 13.558 -9.688 849 HD22 ASN 108 2HD2 ASN 108 9.067 14.346 -10.804 850 H LEU 109 H LEU 109 5.261 12.491 -13.171 851 HA LEU 109 HA LEU 109 4.721 14.763 -14.826 852 HB2 LEU 109 2HB LEU 109 5.338 11.891 -15.307 853 HB3 LEU 109 3HB LEU 109 4.555 12.775 -16.604 854 HG LEU 109 HG LEU 109 6.384 14.367 -16.699 855 HD11 LEU 109 1HD1 LEU 109 7.620 12.814 -14.425 856 HD12 LEU 109 2HD1 LEU 109 6.969 14.451 -14.336 857 HD13 LEU 109 3HD1 LEU 109 8.391 14.123 -15.325 858 HD21 LEU 109 3HD2 LEU 109 7.396 11.521 -16.663 859 HD22 LEU 109 1HD2 LEU 109 8.173 12.887 -17.466 860 HD23 LEU 109 2HD2 LEU 109 6.595 12.324 -18.015 861 H GLU 110 H GLU 110 3.000 15.095 -16.256 862 HA GLU 110 HA GLU 110 0.453 14.660 -15.057 863 HB2 GLU 110 2HB GLU 110 1.131 15.832 -17.765 864 HB3 GLU 110 3HB GLU 110 -0.408 15.990 -16.932 865 HG2 GLU 110 2HG GLU 110 0.553 17.359 -15.240 866 HG3 GLU 110 3HG GLU 110 2.187 17.018 -15.808 867 H HIS 111 H HIS 111 -0.847 12.942 -15.318 868 HA HIS 111 HA HIS 111 -0.665 10.963 -17.295 869 HB2 HIS 111 2HB HIS 111 -3.030 11.907 -15.650 870 HB3 HIS 111 3HB HIS 111 -3.095 10.502 -16.707 871 HD1 HIS 111 HD1 HIS 111 -2.034 11.577 -13.347 872 HD2 HIS 111 HD2 HIS 111 -1.424 8.318 -15.852 873 HE1 HIS 111 HE1 HIS 111 -1.127 9.761 -11.880 874 HE2 HIS 111 HE2 HIS 111 -0.594 7.873 -13.445 875 H HIS 112 H HIS 112 -1.567 10.751 -19.357 876 HA HIS 112 HA HIS 112 -1.940 13.222 -20.740 877 HB2 HIS 112 2HB HIS 112 -0.854 11.052 -21.612 878 HB3 HIS 112 3HB HIS 112 -2.500 10.520 -21.949 879 HD1 HIS 112 HD1 HIS 112 -3.843 11.980 -23.744 880 HD2 HIS 112 HD2 HIS 112 0.216 12.822 -23.427 881 HE1 HIS 112 HE1 HIS 112 -3.259 13.294 -25.795 882 HE2 HIS 112 HE2 HIS 112 -0.875 13.971 -25.467 883 H HIS 113 H HIS 113 -4.111 11.503 -18.938 884 HA HIS 113 HA HIS 113 -6.463 11.836 -20.546 885 HB2 HIS 113 2HB HIS 113 -5.949 11.082 -17.691 886 HB3 HIS 113 3HB HIS 113 -7.579 11.526 -18.185 887 HD1 HIS 113 HD1 HIS 113 -4.939 9.255 -19.781 888 HD2 HIS 113 HD2 HIS 113 -8.942 9.246 -18.648 889 HE1 HIS 113 HE1 HIS 113 -5.829 7.013 -20.462 890 HE2 HIS 113 HE2 HIS 113 -8.264 7.057 -19.847 891 H HIS 114 H HIS 114 -5.554 14.169 -20.940 892 HA HIS 114 HA HIS 114 -7.152 15.980 -19.233 893 HB2 HIS 114 2HB HIS 114 -4.665 16.518 -20.876 894 HB3 HIS 114 3HB HIS 114 -5.715 17.813 -20.311 895 HD1 HIS 114 HD1 HIS 114 -3.167 15.351 -19.136 896 HD2 HIS 114 HD2 HIS 114 -5.575 18.346 -17.552 897 HE1 HIS 114 HE1 HIS 114 -2.283 15.778 -16.831 898 HE2 HIS 114 HE2 HIS 114 -3.656 17.685 -15.949 899 H HIS 115 H HIS 115 -6.035 15.531 -22.603 900 HA HIS 115 HA HIS 115 -8.635 16.535 -23.554 901 HB2 HIS 115 2HB HIS 115 -6.699 17.657 -24.521 902 HB3 HIS 115 3HB HIS 115 -6.015 16.115 -25.021 903 HD1 HIS 115 HD1 HIS 115 -9.156 18.170 -25.718 904 HD2 HIS 115 HD2 HIS 115 -6.608 15.474 -27.587 905 HE1 HIS 115 HE1 HIS 115 -9.959 18.022 -28.088 906 HE2 HIS 115 HE2 HIS 115 -8.298 16.525 -29.234 907 H HIS 116 H HIS 116 -9.463 14.419 -22.697 908 HA HIS 116 HA HIS 116 -10.176 12.714 -24.791 909 HB2 HIS 116 2HB HIS 116 -7.757 11.983 -24.498 910 HB3 HIS 116 3HB HIS 116 -8.216 11.352 -22.922 911 HD1 HIS 116 HD1 HIS 116 -8.719 10.756 -26.600 912 HD2 HIS 116 HD2 HIS 116 -9.593 8.920 -22.975 913 HE1 HIS 116 HE1 HIS 116 -9.530 8.456 -27.187 914 HE2 HIS 116 HE2 HIS 116 -9.898 7.314 -24.983 Start of MODEL 20 1 H1 MET 1 1H MET 1 5.119 -28.201 6.115 2 H2 MET 1 2H MET 1 4.522 -29.302 4.980 3 H3 MET 1 3H MET 1 3.793 -27.787 5.148 4 HA MET 1 HA MET 1 5.793 -26.697 4.380 5 HB2 MET 1 2HB MET 1 7.380 -28.388 5.185 6 HB3 MET 1 3HB MET 1 6.797 -29.526 3.980 7 HG2 MET 1 2HG MET 1 7.585 -28.013 2.200 8 HG3 MET 1 3HG MET 1 8.223 -26.930 3.438 9 HE1 MET 1 3HE MET 1 9.959 -28.155 1.017 10 HE2 MET 1 1HE MET 1 11.450 -28.558 1.868 11 HE3 MET 1 2HE MET 1 10.614 -27.044 2.220 12 H ALA 2 H ALA 2 5.072 -29.832 2.780 13 HA ALA 2 HA ALA 2 4.955 -28.640 0.193 14 HB1 ALA 2 3HB ALA 2 5.638 -30.972 0.563 15 HB2 ALA 2 1HB ALA 2 4.321 -30.843 -0.601 16 HB3 ALA 2 2HB ALA 2 3.991 -31.372 1.049 17 H ALA 3 H ALA 3 3.395 -27.158 -0.155 18 HA ALA 3 HA ALA 3 0.600 -27.785 0.492 19 HB1 ALA 3 3HB ALA 3 1.830 -25.239 -0.582 20 HB2 ALA 3 1HB ALA 3 1.434 -25.566 1.106 21 HB3 ALA 3 2HB ALA 3 0.147 -25.451 -0.095 22 H SER 4 H SER 4 -1.064 -27.648 -1.137 23 HA SER 4 HA SER 4 -0.304 -28.893 -3.610 24 HB2 SER 4 2HB SER 4 -2.413 -29.528 -2.602 25 HB3 SER 4 3HB SER 4 -2.985 -27.861 -2.651 26 HG SER 4 HG SER 4 -3.695 -29.362 -4.393 27 H THR 5 H THR 5 -1.899 -25.779 -2.888 28 HA THR 5 HA THR 5 -1.815 -24.815 -5.560 29 HB THR 5 HB THR 5 -2.041 -23.207 -2.995 30 HG1 THR 5 HG1 THR 5 -4.375 -23.283 -3.967 31 HG21 THR 5 3HG2 THR 5 -3.113 -21.501 -4.422 32 HG22 THR 5 1HG2 THR 5 -2.766 -22.483 -5.846 33 HG23 THR 5 2HG2 THR 5 -1.442 -21.796 -4.905 34 H VAL 6 H VAL 6 -0.173 -23.930 -6.690 35 HA VAL 6 HA VAL 6 2.424 -23.573 -5.661 36 HB VAL 6 HB VAL 6 2.122 -23.899 -8.037 37 HG11 VAL 6 1HG1 VAL 6 -0.036 -22.811 -8.340 38 HG12 VAL 6 2HG1 VAL 6 1.139 -22.190 -9.499 39 HG13 VAL 6 3HG1 VAL 6 0.703 -21.230 -8.084 40 HG21 VAL 6 3HG2 VAL 6 4.116 -22.677 -7.363 41 HG22 VAL 6 1HG2 VAL 6 3.242 -21.147 -7.466 42 HG23 VAL 6 2HG2 VAL 6 3.540 -22.092 -8.925 43 H HIS 7 H HIS 7 2.957 -22.165 -4.128 44 HA HIS 7 HA HIS 7 1.456 -20.064 -3.189 45 HB2 HIS 7 2HB HIS 7 3.658 -19.223 -2.171 46 HB3 HIS 7 3HB HIS 7 3.138 -20.851 -1.757 47 HD1 HIS 7 HD1 HIS 7 4.677 -22.761 -2.379 48 HD2 HIS 7 HD2 HIS 7 5.913 -19.123 -3.966 49 HE1 HIS 7 HE1 HIS 7 6.968 -23.178 -3.312 50 HE2 HIS 7 HE2 HIS 7 7.615 -21.023 -4.420 51 H THR 8 H THR 8 0.656 -18.645 -4.658 52 HA THR 8 HA THR 8 2.442 -17.038 -6.317 53 HB THR 8 HB THR 8 -0.561 -16.756 -5.938 54 HG1 THR 8 HG1 THR 8 0.408 -18.826 -6.897 55 HG21 THR 8 3HG2 THR 8 -0.483 -15.554 -8.077 56 HG22 THR 8 1HG2 THR 8 1.272 -15.734 -8.122 57 HG23 THR 8 2HG2 THR 8 0.517 -14.751 -6.867 58 H SER 9 H SER 9 3.600 -15.594 -5.161 59 HA SER 9 HA SER 9 2.614 -14.452 -2.706 60 HB2 SER 9 2HB SER 9 4.978 -15.046 -2.923 61 HB3 SER 9 3HB SER 9 5.165 -13.881 -4.235 62 HG SER 9 HG SER 9 5.724 -13.270 -1.919 63 H PHE 10 H PHE 10 3.177 -11.976 -2.395 64 HA PHE 10 HA PHE 10 2.045 -10.425 -4.631 65 HB2 PHE 10 2HB PHE 10 1.120 -10.253 -1.748 66 HB3 PHE 10 3HB PHE 10 0.592 -9.194 -3.052 67 HD1 PHE 10 HD1 PHE 10 -0.887 -10.042 -4.823 68 HD2 PHE 10 HD2 PHE 10 0.267 -12.491 -1.530 69 HE1 PHE 10 HE1 PHE 10 -2.709 -11.610 -5.357 70 HE2 PHE 10 HE2 PHE 10 -1.547 -14.063 -2.066 71 HZ PHE 10 HZ PHE 10 -3.034 -13.627 -3.975 72 H ILE 11 H ILE 11 2.536 -8.167 -4.590 73 HA ILE 11 HA ILE 11 4.638 -7.335 -2.684 74 HB ILE 11 HB ILE 11 4.624 -6.703 -5.648 75 HG12 ILE 11 2HG1 ILE 11 6.469 -8.496 -4.038 76 HG13 ILE 11 3HG1 ILE 11 5.283 -9.035 -5.221 77 HG21 ILE 11 1HG2 ILE 11 6.803 -5.652 -5.220 78 HG22 ILE 11 2HG2 ILE 11 6.619 -5.976 -3.498 79 HG23 ILE 11 3HG2 ILE 11 5.512 -4.868 -4.311 80 HD11 ILE 11 3HD1 ILE 11 7.513 -9.083 -6.150 81 HD12 ILE 11 1HD1 ILE 11 7.723 -7.370 -5.796 82 HD13 ILE 11 2HD1 ILE 11 6.525 -7.883 -6.984 83 H LEU 12 H LEU 12 4.166 -5.443 -1.682 84 HA LEU 12 HA LEU 12 1.930 -3.835 -2.674 85 HB2 LEU 12 2HB LEU 12 1.891 -4.373 -0.313 86 HB3 LEU 12 3HB LEU 12 3.496 -3.698 -0.096 87 HG LEU 12 HG LEU 12 2.563 -1.448 -0.741 88 HD11 LEU 12 1HD1 LEU 12 0.598 -2.236 -1.964 89 HD12 LEU 12 2HD1 LEU 12 0.157 -1.112 -0.680 90 HD13 LEU 12 3HD1 LEU 12 -0.097 -2.844 -0.460 91 HD21 LEU 12 3HD2 LEU 12 1.296 -2.743 1.672 92 HD22 LEU 12 1HD2 LEU 12 1.535 -1.013 1.416 93 HD23 LEU 12 2HD2 LEU 12 2.929 -2.080 1.600 94 H LYS 13 H LYS 13 2.204 -2.014 -3.790 95 HA LYS 13 HA LYS 13 4.804 -0.625 -3.642 96 HB2 LYS 13 2HB LYS 13 2.756 -0.608 -5.865 97 HB3 LYS 13 3HB LYS 13 4.246 0.326 -5.855 98 HG2 LYS 13 2HG LYS 13 5.555 -1.733 -5.849 99 HG3 LYS 13 3HG LYS 13 4.068 -2.686 -5.830 100 HD2 LYS 13 2HD LYS 13 4.954 -0.779 -8.001 101 HD3 LYS 13 3HD LYS 13 4.948 -2.544 -8.097 102 HE2 LYS 13 2HE LYS 13 2.479 -2.490 -7.739 103 HE3 LYS 13 3HE LYS 13 2.551 -0.732 -7.820 104 HZ1 LYS 13 3HZ LYS 13 3.455 -0.948 -10.079 105 HZ2 LYS 13 1HZ LYS 13 1.907 -1.619 -9.929 106 HZ3 LYS 13 2HZ LYS 13 3.259 -2.629 -9.983 107 H VAL 14 H VAL 14 4.870 1.518 -3.173 108 HA VAL 14 HA VAL 14 2.316 2.955 -2.835 109 HB VAL 14 HB VAL 14 4.731 3.109 -1.015 110 HG11 VAL 14 1HG1 VAL 14 3.777 5.331 -1.329 111 HG12 VAL 14 2HG1 VAL 14 3.424 4.733 0.292 112 HG13 VAL 14 3HG1 VAL 14 2.169 4.713 -0.947 113 HG21 VAL 14 3HG2 VAL 14 3.159 2.316 0.715 114 HG22 VAL 14 1HG2 VAL 14 3.346 1.150 -0.596 115 HG23 VAL 14 2HG2 VAL 14 1.903 2.161 -0.514 116 H LEU 15 H LEU 15 2.231 4.441 -4.381 117 HA LEU 15 HA LEU 15 4.591 5.754 -5.419 118 HB2 LEU 15 2HB LEU 15 2.362 5.088 -6.653 119 HB3 LEU 15 3HB LEU 15 1.771 6.611 -6.026 120 HG LEU 15 HG LEU 15 4.168 6.298 -7.848 121 HD11 LEU 15 1HD1 LEU 15 2.104 5.758 -9.000 122 HD12 LEU 15 2HD1 LEU 15 2.725 7.311 -9.553 123 HD13 LEU 15 3HD1 LEU 15 1.367 7.255 -8.430 124 HD21 LEU 15 3HD2 LEU 15 4.391 8.252 -6.418 125 HD22 LEU 15 1HD2 LEU 15 2.764 8.780 -6.854 126 HD23 LEU 15 2HD2 LEU 15 4.037 8.741 -8.073 127 H TRP 16 H TRP 16 5.516 7.132 -4.006 128 HA TRP 16 HA TRP 16 3.957 8.657 -2.102 129 HB2 TRP 16 2HB TRP 16 6.155 7.540 -1.567 130 HB3 TRP 16 3HB TRP 16 6.947 8.730 -2.590 131 HD1 TRP 16 HD1 TRP 16 6.868 11.333 -1.691 132 HE1 TRP 16 HE1 TRP 16 6.791 12.235 0.717 133 HE3 TRP 16 HE3 TRP 16 5.295 7.105 0.713 134 HZ2 TRP 16 HZ2 TRP 16 6.151 11.284 3.293 135 HZ3 TRP 16 HZ3 TRP 16 4.973 7.184 3.150 136 HH2 TRP 16 HH2 TRP 16 5.393 9.231 4.415 137 H LEU 17 H LEU 17 3.186 10.649 -2.468 138 HA LEU 17 HA LEU 17 4.639 12.436 -4.321 139 HB2 LEU 17 2HB LEU 17 1.646 12.133 -4.009 140 HB3 LEU 17 3HB LEU 17 2.411 13.427 -4.910 141 HG LEU 17 HG LEU 17 2.621 10.483 -5.579 142 HD11 LEU 17 1HD1 LEU 17 1.045 12.681 -6.924 143 HD12 LEU 17 2HD1 LEU 17 0.375 11.354 -5.977 144 HD13 LEU 17 3HD1 LEU 17 1.203 11.017 -7.495 145 HD21 LEU 17 3HD2 LEU 17 4.613 11.734 -6.241 146 HD22 LEU 17 1HD2 LEU 17 3.606 12.915 -7.079 147 HD23 LEU 17 2HD2 LEU 17 3.673 11.247 -7.651 148 H ASP 18 H ASP 18 3.782 14.795 -3.993 149 HA ASP 18 HA ASP 18 4.594 15.602 -1.408 150 HB2 ASP 18 2HB ASP 18 3.130 17.253 -3.487 151 HB3 ASP 18 3HB ASP 18 4.129 17.864 -2.169 152 H GLN 19 H GLN 19 1.387 15.850 -2.981 153 HA GLN 19 HA GLN 19 0.160 16.053 -0.296 154 HB2 GLN 19 2HB GLN 19 -0.760 17.209 -2.937 155 HB3 GLN 19 3HB GLN 19 -1.726 17.228 -1.467 156 HG2 GLN 19 2HG GLN 19 0.970 18.541 -1.804 157 HG3 GLN 19 3HG GLN 19 -0.588 19.362 -1.877 158 HE21 GLN 19 1HE2 GLN 19 1.672 19.753 -0.048 159 HE22 GLN 19 2HE2 GLN 19 1.024 19.560 1.539 160 H ASN 20 H ASN 20 0.787 13.652 -2.080 161 HA ASN 20 HA ASN 20 -1.795 12.336 -1.741 162 HB2 ASN 20 2HB ASN 20 -0.329 12.346 -4.393 163 HB3 ASN 20 3HB ASN 20 -1.722 11.339 -4.011 164 HD21 ASN 20 1HD2 ASN 20 -3.734 12.346 -3.700 165 HD22 ASN 20 2HD2 ASN 20 -4.062 13.908 -4.357 166 H VAL 21 H VAL 21 -1.682 10.046 -1.714 167 HA VAL 21 HA VAL 21 0.929 8.779 -2.073 168 HB VAL 21 HB VAL 21 0.439 9.345 0.432 169 HG11 VAL 21 1HG1 VAL 21 -1.214 6.837 0.227 170 HG12 VAL 21 2HG1 VAL 21 -1.875 8.458 0.414 171 HG13 VAL 21 3HG1 VAL 21 -0.860 7.770 1.682 172 HG21 VAL 21 3HG2 VAL 21 1.253 6.570 -0.414 173 HG22 VAL 21 1HG2 VAL 21 1.526 7.271 1.183 174 HG23 VAL 21 2HG2 VAL 21 2.304 7.977 -0.235 175 H ALA 22 H ALA 22 0.693 6.968 -3.303 176 HA ALA 22 HA ALA 22 -2.045 5.873 -3.585 177 HB1 ALA 22 3HB ALA 22 0.128 5.924 -5.680 178 HB2 ALA 22 1HB ALA 22 -1.229 7.047 -5.589 179 HB3 ALA 22 2HB ALA 22 -1.521 5.333 -5.889 180 H ILE 23 H ILE 23 -2.379 3.731 -3.340 181 HA ILE 23 HA ILE 23 -0.013 2.007 -2.918 182 HB ILE 23 HB ILE 23 -1.460 0.607 -1.453 183 HG12 ILE 23 2HG1 ILE 23 -3.417 2.908 -1.769 184 HG13 ILE 23 3HG1 ILE 23 -3.658 1.255 -2.324 185 HG21 ILE 23 1HG2 ILE 23 0.070 2.236 -0.485 186 HG22 ILE 23 2HG2 ILE 23 -1.399 2.119 0.483 187 HG23 ILE 23 3HG2 ILE 23 -1.167 3.491 -0.601 188 HD11 ILE 23 3HD1 ILE 23 -4.907 1.675 -0.298 189 HD12 ILE 23 1HD1 ILE 23 -3.433 2.151 0.544 190 HD13 ILE 23 2HD1 ILE 23 -3.641 0.486 0.002 191 H ALA 24 H ALA 24 0.085 0.030 -3.918 192 HA ALA 24 HA ALA 24 -2.208 -1.109 -5.278 193 HB1 ALA 24 3HB ALA 24 -1.407 0.569 -6.907 194 HB2 ALA 24 1HB ALA 24 -1.262 -1.084 -7.509 195 HB3 ALA 24 2HB ALA 24 0.167 -0.228 -6.927 196 H VAL 25 H VAL 25 -2.082 -3.262 -5.118 197 HA VAL 25 HA VAL 25 0.515 -4.524 -4.546 198 HB VAL 25 HB VAL 25 -2.282 -5.642 -4.206 199 HG11 VAL 25 1HG1 VAL 25 0.394 -6.756 -3.346 200 HG12 VAL 25 2HG1 VAL 25 -0.655 -7.409 -4.605 201 HG13 VAL 25 3HG1 VAL 25 -1.181 -7.433 -2.922 202 HG21 VAL 25 3HG2 VAL 25 -1.860 -3.811 -2.654 203 HG22 VAL 25 1HG2 VAL 25 -0.346 -4.561 -2.149 204 HG23 VAL 25 2HG2 VAL 25 -1.882 -5.350 -1.793 205 H ASP 26 H ASP 26 1.497 -5.821 -5.987 206 HA ASP 26 HA ASP 26 -0.042 -6.830 -8.300 207 HB2 ASP 26 2HB ASP 26 2.931 -6.305 -8.016 208 HB3 ASP 26 3HB ASP 26 2.192 -7.080 -9.413 209 H GLN 27 H GLN 27 0.467 -9.008 -9.070 210 HA GLN 27 HA GLN 27 1.116 -10.789 -6.814 211 HB2 GLN 27 2HB GLN 27 -0.121 -12.528 -7.998 212 HB3 GLN 27 3HB GLN 27 -1.111 -11.094 -7.778 213 HG2 GLN 27 2HG GLN 27 -0.734 -10.458 -10.103 214 HG3 GLN 27 3HG GLN 27 0.298 -11.869 -10.328 215 HE21 GLN 27 1HE2 GLN 27 -0.660 -13.939 -10.343 216 HE22 GLN 27 2HE2 GLN 27 -2.348 -14.147 -10.631 217 H ILE 28 H ILE 28 2.746 -12.240 -6.883 218 HA ILE 28 HA ILE 28 4.662 -12.082 -9.056 219 HB ILE 28 HB ILE 28 4.771 -13.669 -6.475 220 HG12 ILE 28 2HG1 ILE 28 6.076 -11.047 -7.275 221 HG13 ILE 28 3HG1 ILE 28 4.784 -11.247 -6.094 222 HG21 ILE 28 1HG2 ILE 28 7.168 -13.947 -6.976 223 HG22 ILE 28 2HG2 ILE 28 6.925 -13.155 -8.535 224 HG23 ILE 28 3HG2 ILE 28 6.149 -14.704 -8.202 225 HD11 ILE 28 3HD1 ILE 28 6.288 -12.522 -4.662 226 HD12 ILE 28 1HD1 ILE 28 6.935 -10.923 -5.018 227 HD13 ILE 28 2HD1 ILE 28 7.580 -12.338 -5.849 228 H VAL 29 H VAL 29 4.436 -13.312 -10.792 229 HA VAL 29 HA VAL 29 2.865 -15.766 -10.723 230 HB VAL 29 HB VAL 29 4.199 -14.430 -13.096 231 HG11 VAL 29 1HG1 VAL 29 3.586 -16.760 -13.503 232 HG12 VAL 29 2HG1 VAL 29 2.561 -15.666 -14.434 233 HG13 VAL 29 3HG1 VAL 29 1.936 -16.429 -12.971 234 HG21 VAL 29 3HG2 VAL 29 1.389 -14.074 -12.040 235 HG22 VAL 29 1HG2 VAL 29 2.002 -13.417 -13.561 236 HG23 VAL 29 2HG2 VAL 29 2.672 -12.864 -12.026 237 H GLY 30 H GLY 30 3.705 -17.760 -11.796 238 HA2 GLY 30 2HA GLY 30 6.023 -18.715 -10.605 239 HA3 GLY 30 3HA GLY 30 5.243 -19.455 -11.989 240 H LYS 31 H LYS 31 5.812 -16.834 -13.501 241 HA LYS 31 HA LYS 31 8.609 -17.446 -14.181 242 HB2 LYS 31 2HB LYS 31 7.012 -17.503 -16.048 243 HB3 LYS 31 3HB LYS 31 6.540 -15.842 -15.713 244 HG2 LYS 31 2HG LYS 31 8.800 -15.077 -16.266 245 HG3 LYS 31 3HG LYS 31 9.288 -16.742 -16.578 246 HD2 LYS 31 2HD LYS 31 8.819 -15.624 -18.672 247 HD3 LYS 31 3HD LYS 31 7.605 -16.869 -18.383 248 HE2 LYS 31 2HE LYS 31 6.063 -15.124 -17.543 249 HE3 LYS 31 3HE LYS 31 7.276 -13.902 -17.916 250 HZ1 LYS 31 3HZ LYS 31 7.114 -14.438 -20.230 251 HZ2 LYS 31 1HZ LYS 31 5.556 -14.146 -19.644 252 HZ3 LYS 31 2HZ LYS 31 6.074 -15.732 -19.919 253 H GLY 32 H GLY 32 6.492 -14.646 -13.508 254 HA2 GLY 32 2HA GLY 32 8.724 -13.223 -12.299 255 HA3 GLY 32 3HA GLY 32 8.080 -12.498 -13.762 256 H THR 33 H THR 33 6.567 -10.964 -13.444 257 HA THR 33 HA THR 33 4.763 -11.155 -11.123 258 HB THR 33 HB THR 33 5.066 -8.726 -10.629 259 HG1 THR 33 HG1 THR 33 7.285 -7.981 -11.450 260 HG21 THR 33 3HG2 THR 33 7.175 -8.943 -9.403 261 HG22 THR 33 1HG2 THR 33 7.585 -10.378 -10.346 262 HG23 THR 33 2HG2 THR 33 6.203 -10.407 -9.251 263 H SER 34 H SER 34 2.857 -9.808 -11.271 264 HA SER 34 HA SER 34 2.307 -8.499 -13.828 265 HB2 SER 34 2HB SER 34 1.594 -10.848 -14.178 266 HB3 SER 34 3HB SER 34 0.530 -10.722 -12.776 267 HG SER 34 HG SER 34 0.081 -9.962 -15.320 268 HA PRO 35 HA PRO 35 0.297 -5.610 -11.103 269 HB2 PRO 35 2HB PRO 35 -1.409 -4.443 -12.932 270 HB3 PRO 35 3HB PRO 35 0.302 -4.039 -12.760 271 HG2 PRO 35 2HG PRO 35 -1.023 -5.873 -14.722 272 HG3 PRO 35 3HG PRO 35 0.269 -4.689 -14.993 273 HD2 PRO 35 2HD PRO 35 0.787 -7.319 -14.785 274 HD3 PRO 35 3HD PRO 35 1.908 -6.101 -14.137 275 H LEU 36 H LEU 36 -1.175 -6.183 -9.621 276 HA LEU 36 HA LEU 36 -3.483 -7.823 -10.420 277 HB2 LEU 36 2HB LEU 36 -2.056 -8.724 -8.662 278 HB3 LEU 36 3HB LEU 36 -2.267 -7.267 -7.711 279 HG LEU 36 HG LEU 36 -4.701 -7.805 -7.511 280 HD11 LEU 36 1HD1 LEU 36 -3.896 -10.421 -8.786 281 HD12 LEU 36 2HD1 LEU 36 -4.940 -9.193 -9.503 282 HD13 LEU 36 3HD1 LEU 36 -5.463 -10.062 -8.060 283 HD21 LEU 36 3HD2 LEU 36 -3.112 -8.379 -5.734 284 HD22 LEU 36 1HD2 LEU 36 -2.822 -9.942 -6.498 285 HD23 LEU 36 2HD2 LEU 36 -4.416 -9.560 -5.845 286 H THR 37 H THR 37 -2.714 -4.826 -8.670 287 HA THR 37 HA THR 37 -5.557 -4.035 -8.860 288 HB THR 37 HB THR 37 -5.376 -2.914 -6.627 289 HG1 THR 37 HG1 THR 37 -2.876 -4.260 -6.647 290 HG21 THR 37 3HG2 THR 37 -5.628 -4.962 -5.287 291 HG22 THR 37 1HG2 THR 37 -4.939 -5.909 -6.606 292 HG23 THR 37 2HG2 THR 37 -6.486 -5.087 -6.824 293 H SER 38 H SER 38 -5.962 -1.756 -8.846 294 HA SER 38 HA SER 38 -3.942 -0.265 -10.285 295 HB2 SER 38 2HB SER 38 -6.305 -0.129 -10.958 296 HB3 SER 38 3HB SER 38 -6.723 0.555 -9.388 297 HG SER 38 HG SER 38 -6.333 2.396 -10.317 298 H TYR 39 H TYR 39 -3.469 2.026 -9.716 299 HA TYR 39 HA TYR 39 -2.568 2.214 -6.978 300 HB2 TYR 39 2HB TYR 39 -2.370 4.193 -9.266 301 HB3 TYR 39 3HB TYR 39 -1.578 4.373 -7.705 302 HD1 TYR 39 HD1 TYR 39 -1.684 2.314 -10.787 303 HD2 TYR 39 HD2 TYR 39 0.473 3.246 -7.232 304 HE1 TYR 39 HE1 TYR 39 0.244 1.042 -11.627 305 HE2 TYR 39 HE2 TYR 39 2.402 1.970 -8.066 306 HH TYR 39 HH TYR 39 2.688 0.956 -11.285 307 H PHE 40 H PHE 40 -4.041 2.682 -5.464 308 HA PHE 40 HA PHE 40 -6.266 4.477 -6.018 309 HB2 PHE 40 2HB PHE 40 -5.558 3.087 -3.420 310 HB3 PHE 40 3HB PHE 40 -7.109 3.803 -3.853 311 HD1 PHE 40 HD1 PHE 40 -8.142 2.841 -6.116 312 HD2 PHE 40 HD2 PHE 40 -5.347 0.792 -3.638 313 HE1 PHE 40 HE1 PHE 40 -8.876 0.692 -7.067 314 HE2 PHE 40 HE2 PHE 40 -6.080 -1.357 -4.584 315 HZ PHE 40 HZ PHE 40 -7.846 -1.410 -6.300 316 H PHE 41 H PHE 41 -6.210 6.619 -5.653 317 HA PHE 41 HA PHE 41 -3.790 7.707 -4.433 318 HB2 PHE 41 2HB PHE 41 -5.941 8.991 -6.122 319 HB3 PHE 41 3HB PHE 41 -4.583 9.876 -5.435 320 HD1 PHE 41 HD2 PHE 41 -2.294 9.443 -6.221 321 HD2 PHE 41 HD1 PHE 41 -5.657 7.553 -8.024 322 HE1 PHE 41 HE2 PHE 41 -0.911 8.845 -8.166 323 HE2 PHE 41 HE1 PHE 41 -4.279 6.946 -9.970 324 HZ PHE 41 HZ PHE 41 -1.901 7.595 -10.046 325 H TRP 42 H TRP 42 -3.955 7.824 -2.283 326 HA TRP 42 HA TRP 42 -6.208 9.100 -0.956 327 HB2 TRP 42 2HB TRP 42 -5.274 7.359 0.317 328 HB3 TRP 42 3HB TRP 42 -3.628 7.808 -0.096 329 HD1 TRP 42 HD1 TRP 42 -2.523 9.832 1.323 330 HE1 TRP 42 HE1 TRP 42 -2.995 10.654 3.695 331 HE3 TRP 42 HE3 TRP 42 -7.157 7.762 1.994 332 HZ2 TRP 42 HZ2 TRP 42 -5.051 10.489 5.603 333 HZ3 TRP 42 HZ3 TRP 42 -8.311 8.153 4.136 334 HH2 TRP 42 HH2 TRP 42 -7.278 9.489 5.901 335 HA PRO 43 HA PRO 43 -6.801 10.325 0.504 336 HB2 PRO 43 2HB PRO 43 -7.636 12.661 1.470 337 HB3 PRO 43 3HB PRO 43 -6.204 11.869 2.145 338 HG2 PRO 43 2HG PRO 43 -6.387 14.212 0.309 339 HG3 PRO 43 3HG PRO 43 -5.215 13.880 1.594 340 HD2 PRO 43 2HD PRO 43 -4.877 13.411 -1.188 341 HD3 PRO 43 3HD PRO 43 -3.797 12.886 0.120 342 H ARG 44 H ARG 44 -6.494 11.379 -2.436 343 HA ARG 44 HA ARG 44 -8.810 12.882 -3.060 344 HB2 ARG 44 2HB ARG 44 -7.122 11.037 -4.761 345 HB3 ARG 44 3HB ARG 44 -8.402 12.059 -5.403 346 HG2 ARG 44 2HG ARG 44 -5.964 13.070 -3.937 347 HG3 ARG 44 3HG ARG 44 -6.141 13.017 -5.692 348 HD2 ARG 44 2HD ARG 44 -8.080 14.519 -5.538 349 HD3 ARG 44 3HD ARG 44 -7.898 14.571 -3.785 350 HE ARG 44 HE ARG 44 -5.508 15.431 -4.553 351 HH11 ARG 44 1HH1 ARG 44 -8.631 16.307 -5.730 352 HH12 ARG 44 2HH1 ARG 44 -8.145 17.919 -6.106 353 HH21 ARG 44 1HH2 ARG 44 -4.903 17.472 -5.052 354 HH22 ARG 44 2HH2 ARG 44 -6.045 18.579 -5.725 355 H ALA 45 H ALA 45 -8.276 9.459 -2.624 356 HA ALA 45 HA ALA 45 -11.159 9.001 -2.686 357 HB1 ALA 45 3HB ALA 45 -10.960 7.016 -4.106 358 HB2 ALA 45 1HB ALA 45 -9.239 7.335 -4.323 359 HB3 ALA 45 2HB ALA 45 -10.432 8.463 -4.964 360 H ASP 46 H ASP 46 -11.687 6.776 -1.842 361 HA ASP 46 HA ASP 46 -10.343 6.284 0.604 362 HB2 ASP 46 2HB ASP 46 -12.300 4.488 -0.858 363 HB3 ASP 46 3HB ASP 46 -11.903 4.431 0.858 364 H ALA 47 H ALA 47 -8.141 5.922 -0.015 365 HA ALA 47 HA ALA 47 -7.248 4.126 -1.948 366 HB1 ALA 47 3HB ALA 47 -5.869 5.896 -0.949 367 HB2 ALA 47 1HB ALA 47 -5.060 4.329 -0.933 368 HB3 ALA 47 2HB ALA 47 -5.778 4.966 0.548 369 H TRP 48 H TRP 48 -7.012 3.562 1.585 370 HA TRP 48 HA TRP 48 -6.261 0.856 1.289 371 HB2 TRP 48 2HB TRP 48 -5.785 2.237 3.303 372 HB3 TRP 48 3HB TRP 48 -7.495 2.180 3.719 373 HD1 TRP 48 HD1 TRP 48 -4.525 -0.274 3.235 374 HE1 TRP 48 HE1 TRP 48 -4.877 -2.263 4.826 375 HE3 TRP 48 HE3 TRP 48 -9.091 1.004 5.152 376 HZ2 TRP 48 HZ2 TRP 48 -6.822 -3.176 6.646 377 HZ3 TRP 48 HZ3 TRP 48 -10.128 -0.481 6.819 378 HH2 TRP 48 HH2 TRP 48 -9.013 -2.530 7.550 379 H GLN 49 H GLN 49 -9.421 2.368 1.821 380 HA GLN 49 HA GLN 49 -10.914 0.022 2.255 381 HB2 GLN 49 2HB GLN 49 -11.848 2.209 2.728 382 HB3 GLN 49 3HB GLN 49 -11.747 2.658 1.033 383 HG2 GLN 49 2HG GLN 49 -14.031 2.133 1.649 384 HG3 GLN 49 3HG GLN 49 -13.422 0.974 0.471 385 HE21 GLN 49 1HE2 GLN 49 -12.575 0.882 3.875 386 HE22 GLN 49 2HE2 GLN 49 -13.447 -0.563 4.236 387 H GLN 50 H GLN 50 -10.169 1.742 -0.793 388 HA GLN 50 HA GLN 50 -11.571 -0.077 -2.465 389 HB2 GLN 50 2HB GLN 50 -9.373 1.913 -3.045 390 HB3 GLN 50 3HB GLN 50 -10.095 0.913 -4.301 391 HG2 GLN 50 2HG GLN 50 -12.279 1.893 -3.856 392 HG3 GLN 50 3HG GLN 50 -11.600 2.855 -2.546 393 HE21 GLN 50 1HE2 GLN 50 -9.154 3.476 -3.972 394 HE22 GLN 50 2HE2 GLN 50 -9.572 4.620 -5.196 395 H LEU 51 H LEU 51 -8.257 -0.033 -1.228 396 HA LEU 51 HA LEU 51 -7.250 -2.134 -2.832 397 HB2 LEU 51 2HB LEU 51 -5.806 -0.620 -1.525 398 HB3 LEU 51 3HB LEU 51 -6.417 -1.322 -0.038 399 HG LEU 51 HG LEU 51 -5.443 -3.515 -0.707 400 HD11 LEU 51 1HD1 LEU 51 -5.451 -3.230 -3.117 401 HD12 LEU 51 2HD1 LEU 51 -3.823 -3.590 -2.545 402 HD13 LEU 51 3HD1 LEU 51 -4.255 -1.938 -2.990 403 HD21 LEU 51 3HD2 LEU 51 -4.208 -2.004 0.773 404 HD22 LEU 51 1HD2 LEU 51 -3.458 -1.238 -0.628 405 HD23 LEU 51 2HD2 LEU 51 -3.119 -2.929 -0.259 406 H LYS 52 H LYS 52 -8.523 -2.224 0.527 407 HA LYS 52 HA LYS 52 -8.446 -5.030 0.779 408 HB2 LYS 52 2HB LYS 52 -9.867 -4.768 2.721 409 HB3 LYS 52 3HB LYS 52 -8.675 -3.477 2.699 410 HG2 LYS 52 2HG LYS 52 -10.397 -1.960 1.758 411 HG3 LYS 52 3HG LYS 52 -11.581 -3.258 1.917 412 HD2 LYS 52 2HD LYS 52 -10.015 -2.010 4.185 413 HD3 LYS 52 3HD LYS 52 -11.698 -1.668 3.791 414 HE2 LYS 52 2HE LYS 52 -10.602 -4.359 4.612 415 HE3 LYS 52 3HE LYS 52 -11.474 -3.251 5.668 416 HZ1 LYS 52 3HZ LYS 52 -12.540 -4.604 3.251 417 HZ2 LYS 52 1HZ LYS 52 -13.388 -3.449 4.152 418 HZ3 LYS 52 2HZ LYS 52 -12.957 -4.923 4.855 419 H ASP 53 H ASP 53 -10.917 -2.858 -0.487 420 HA ASP 53 HA ASP 53 -13.035 -4.646 -0.807 421 HB2 ASP 53 2HB ASP 53 -13.110 -2.163 -1.159 422 HB3 ASP 53 3HB ASP 53 -12.254 -2.389 -2.679 423 H GLU 54 H GLU 54 -10.334 -3.925 -3.016 424 HA GLU 54 HA GLU 54 -11.013 -5.767 -5.049 425 HB2 GLU 54 2HB GLU 54 -8.351 -4.602 -4.211 426 HB3 GLU 54 3HB GLU 54 -8.553 -5.607 -5.637 427 HG2 GLU 54 2HG GLU 54 -10.038 -3.028 -5.189 428 HG3 GLU 54 3HG GLU 54 -8.509 -3.143 -6.055 429 H LEU 55 H LEU 55 -8.717 -6.072 -2.331 430 HA LEU 55 HA LEU 55 -7.831 -8.672 -2.944 431 HB2 LEU 55 2HB LEU 55 -7.873 -7.238 -0.287 432 HB3 LEU 55 3HB LEU 55 -6.973 -8.708 -0.617 433 HG LEU 55 HG LEU 55 -6.514 -6.042 -1.976 434 HD11 LEU 55 1HD1 LEU 55 -5.842 -5.990 0.360 435 HD12 LEU 55 2HD1 LEU 55 -4.430 -5.983 -0.698 436 HD13 LEU 55 3HD1 LEU 55 -4.898 -7.463 0.138 437 HD21 LEU 55 3HD2 LEU 55 -5.968 -7.915 -3.438 438 HD22 LEU 55 1HD2 LEU 55 -4.980 -8.640 -2.169 439 HD23 LEU 55 2HD2 LEU 55 -4.501 -7.104 -2.894 440 H GLU 56 H GLU 56 -10.514 -7.589 -0.913 441 HA GLU 56 HA GLU 56 -11.202 -10.241 -0.037 442 HB2 GLU 56 2HB GLU 56 -12.662 -7.601 0.100 443 HB3 GLU 56 3HB GLU 56 -13.319 -9.099 0.758 444 HG2 GLU 56 2HG GLU 56 -11.462 -9.294 2.286 445 HG3 GLU 56 3HG GLU 56 -10.681 -7.887 1.571 446 H ALA 57 H ALA 57 -12.105 -8.181 -2.735 447 HA ALA 57 HA ALA 57 -14.279 -9.766 -3.672 448 HB1 ALA 57 3HB ALA 57 -12.428 -7.971 -5.253 449 HB2 ALA 57 1HB ALA 57 -13.909 -7.460 -4.441 450 HB3 ALA 57 2HB ALA 57 -13.989 -8.588 -5.794 451 H LYS 58 H LYS 58 -10.790 -9.855 -4.200 452 HA LYS 58 HA LYS 58 -10.974 -12.115 -6.028 453 HB2 LYS 58 2HB LYS 58 -8.496 -10.873 -4.805 454 HB3 LYS 58 3HB LYS 58 -8.576 -11.906 -6.226 455 HG2 LYS 58 2HG LYS 58 -9.704 -10.191 -7.481 456 HG3 LYS 58 3HG LYS 58 -9.834 -9.174 -6.044 457 HD2 LYS 58 2HD LYS 58 -7.333 -9.107 -5.955 458 HD3 LYS 58 3HD LYS 58 -7.300 -9.969 -7.495 459 HE2 LYS 58 2HE LYS 58 -8.389 -7.213 -6.924 460 HE3 LYS 58 3HE LYS 58 -7.047 -7.647 -7.981 461 HZ1 LYS 58 3HZ LYS 58 -9.937 -8.142 -8.428 462 HZ2 LYS 58 1HZ LYS 58 -8.724 -8.866 -9.361 463 HZ3 LYS 58 2HZ LYS 58 -8.895 -7.187 -9.350 464 H HIS 59 H HIS 59 -11.653 -13.933 -4.951 465 HA HIS 59 HA HIS 59 -10.985 -14.342 -2.185 466 HB2 HIS 59 2HB HIS 59 -12.617 -15.945 -4.147 467 HB3 HIS 59 3HB HIS 59 -12.362 -16.450 -2.478 468 HD1 HIS 59 HD1 HIS 59 -14.481 -14.326 -4.562 469 HD2 HIS 59 HD2 HIS 59 -13.459 -14.560 -0.543 470 HE1 HIS 59 HE1 HIS 59 -16.192 -12.952 -3.353 471 HE2 HIS 59 HE2 HIS 59 -15.691 -13.311 -0.917 472 H TRP 60 H TRP 60 -9.487 -15.363 -5.125 473 HA TRP 60 HA TRP 60 -8.315 -17.741 -4.097 474 HB2 TRP 60 2HB TRP 60 -6.810 -17.690 -5.982 475 HB3 TRP 60 3HB TRP 60 -8.423 -17.260 -6.520 476 HD1 TRP 60 HD1 TRP 60 -8.793 -14.726 -7.377 477 HE1 TRP 60 HE1 TRP 60 -7.116 -12.973 -8.249 478 HE3 TRP 60 HE3 TRP 60 -4.450 -16.813 -5.649 479 HZ2 TRP 60 HZ2 TRP 60 -4.333 -12.535 -8.204 480 HZ3 TRP 60 HZ3 TRP 60 -2.323 -15.665 -6.113 481 HH2 TRP 60 HH2 TRP 60 -2.268 -13.569 -7.365 482 H ILE 61 H ILE 61 -7.752 -14.469 -3.398 483 HA ILE 61 HA ILE 61 -5.100 -14.778 -2.305 484 HB ILE 61 HB ILE 61 -7.224 -12.651 -1.860 485 HG12 ILE 61 2HG1 ILE 61 -5.708 -11.172 -3.116 486 HG13 ILE 61 3HG1 ILE 61 -4.566 -12.496 -3.328 487 HG21 ILE 61 1HG2 ILE 61 -5.895 -12.845 0.158 488 HG22 ILE 61 2HG2 ILE 61 -5.500 -11.349 -0.686 489 HG23 ILE 61 3HG2 ILE 61 -4.404 -12.730 -0.780 490 HD11 ILE 61 3HD1 ILE 61 -5.884 -12.045 -5.329 491 HD12 ILE 61 1HD1 ILE 61 -7.359 -12.405 -4.433 492 HD13 ILE 61 2HD1 ILE 61 -6.163 -13.671 -4.708 493 H ALA 62 H ALA 62 -4.581 -15.580 -0.303 494 HA ALA 62 HA ALA 62 -6.696 -16.623 1.379 495 HB1 ALA 62 3HB ALA 62 -4.663 -17.927 1.033 496 HB2 ALA 62 1HB ALA 62 -4.888 -17.551 2.741 497 HB3 ALA 62 2HB ALA 62 -3.704 -16.655 1.787 498 H GLU 63 H GLU 63 -6.754 -16.197 3.730 499 HA GLU 63 HA GLU 63 -7.252 -13.529 4.282 500 HB2 GLU 63 2HB GLU 63 -8.180 -15.416 5.564 501 HB3 GLU 63 3HB GLU 63 -6.597 -15.710 6.274 502 HG2 GLU 63 2HG GLU 63 -6.663 -13.500 7.331 503 HG3 GLU 63 3HG GLU 63 -8.249 -13.212 6.619 504 H ALA 64 H ALA 64 -4.443 -15.418 5.487 505 HA ALA 64 HA ALA 64 -3.159 -13.320 6.806 506 HB1 ALA 64 3HB ALA 64 -1.138 -14.691 6.715 507 HB2 ALA 64 1HB ALA 64 -1.882 -15.714 5.485 508 HB3 ALA 64 2HB ALA 64 -2.553 -15.667 7.116 509 H ASP 65 H ASP 65 -2.934 -14.304 3.409 510 HA ASP 65 HA ASP 65 -0.776 -12.664 2.661 511 HB2 ASP 65 2HB ASP 65 -3.101 -13.688 1.012 512 HB3 ASP 65 3HB ASP 65 -1.637 -12.970 0.345 513 H ARG 66 H ARG 66 -4.305 -12.034 2.341 514 HA ARG 66 HA ARG 66 -3.939 -9.387 1.359 515 HB2 ARG 66 2HB ARG 66 -6.354 -9.056 1.814 516 HB3 ARG 66 3HB ARG 66 -6.024 -10.516 0.896 517 HG2 ARG 66 2HG ARG 66 -6.359 -11.880 2.860 518 HG3 ARG 66 3HG ARG 66 -6.556 -10.443 3.862 519 HD2 ARG 66 2HD ARG 66 -8.712 -11.520 3.261 520 HD3 ARG 66 3HD ARG 66 -8.588 -9.851 2.708 521 HE ARG 66 HE ARG 66 -8.432 -10.612 0.492 522 HH11 ARG 66 1HH1 ARG 66 -8.793 -13.229 2.708 523 HH12 ARG 66 2HH1 ARG 66 -9.241 -14.351 1.477 524 HH21 ARG 66 1HH2 ARG 66 -9.027 -12.051 -1.078 525 HH22 ARG 66 2HH2 ARG 66 -9.343 -13.697 -0.647 526 H ILE 67 H ILE 67 -4.473 -10.664 4.629 527 HA ILE 67 HA ILE 67 -4.791 -8.181 5.926 528 HB ILE 67 HB ILE 67 -3.736 -10.804 7.004 529 HG12 ILE 67 2HG1 ILE 67 -6.045 -10.921 6.215 530 HG13 ILE 67 3HG1 ILE 67 -6.010 -11.002 7.972 531 HG21 ILE 67 1HG2 ILE 67 -4.588 -8.348 8.541 532 HG22 ILE 67 2HG2 ILE 67 -2.945 -8.973 8.408 533 HG23 ILE 67 3HG2 ILE 67 -4.181 -9.913 9.245 534 HD11 ILE 67 3HD1 ILE 67 -6.658 -8.648 8.089 535 HD12 ILE 67 1HD1 ILE 67 -7.830 -9.604 7.184 536 HD13 ILE 67 2HD1 ILE 67 -6.689 -8.570 6.328 537 H ASN 68 H ASN 68 -1.857 -10.110 5.274 538 HA ASN 68 HA ASN 68 0.031 -8.545 6.592 539 HB2 ASN 68 2HB ASN 68 0.636 -10.679 5.597 540 HB3 ASN 68 3HB ASN 68 0.308 -10.059 3.980 541 HD21 ASN 68 1HD2 ASN 68 2.321 -10.294 3.144 542 HD22 ASN 68 2HD2 ASN 68 3.705 -9.425 3.702 543 H VAL 69 H VAL 69 -0.846 -8.307 3.116 544 HA VAL 69 HA VAL 69 0.674 -5.967 2.682 545 HB VAL 69 HB VAL 69 -0.530 -5.738 0.545 546 HG11 VAL 69 1HG1 VAL 69 0.180 -7.881 -0.422 547 HG12 VAL 69 2HG1 VAL 69 0.314 -8.569 1.198 548 HG13 VAL 69 3HG1 VAL 69 1.378 -7.251 0.709 549 HG21 VAL 69 3HG2 VAL 69 -2.237 -7.369 -0.100 550 HG22 VAL 69 1HG2 VAL 69 -2.765 -6.417 1.288 551 HG23 VAL 69 2HG2 VAL 69 -2.194 -8.070 1.519 552 H LEU 70 H LEU 70 -2.684 -6.382 3.699 553 HA LEU 70 HA LEU 70 -3.447 -3.660 3.388 554 HB2 LEU 70 2HB LEU 70 -4.535 -5.880 5.110 555 HB3 LEU 70 3HB LEU 70 -5.224 -4.269 5.122 556 HG LEU 70 HG LEU 70 -5.064 -6.081 2.703 557 HD11 LEU 70 1HD1 LEU 70 -6.674 -6.871 4.373 558 HD12 LEU 70 2HD1 LEU 70 -7.485 -6.267 2.929 559 HD13 LEU 70 3HD1 LEU 70 -7.439 -5.282 4.391 560 HD21 LEU 70 3HD2 LEU 70 -4.911 -3.718 2.104 561 HD22 LEU 70 1HD2 LEU 70 -6.361 -3.375 3.049 562 HD23 LEU 70 2HD2 LEU 70 -6.463 -4.397 1.616 563 H ASN 71 H ASN 71 -2.078 -5.448 6.150 564 HA ASN 71 HA ASN 71 -2.231 -3.333 8.021 565 HB2 ASN 71 2HB ASN 71 -0.360 -5.707 7.880 566 HB3 ASN 71 3HB ASN 71 -0.408 -4.589 9.239 567 HD21 ASN 71 1HD2 ASN 71 -0.954 -7.403 9.272 568 HD22 ASN 71 2HD2 ASN 71 -2.580 -7.580 9.821 569 H GLN 72 H GLN 72 0.547 -4.419 6.036 570 HA GLN 72 HA GLN 72 2.272 -2.340 6.855 571 HB2 GLN 72 2HB GLN 72 3.679 -2.984 4.933 572 HB3 GLN 72 3HB GLN 72 3.144 -4.378 5.860 573 HG2 GLN 72 2HG GLN 72 1.388 -4.781 4.164 574 HG3 GLN 72 3HG GLN 72 2.029 -3.437 3.228 575 HE21 GLN 72 1HE2 GLN 72 4.013 -5.732 4.994 576 HE22 GLN 72 2HE2 GLN 72 4.705 -6.475 3.602 577 H ALA 73 H ALA 73 -0.076 -2.514 4.211 578 HA ALA 73 HA ALA 73 0.559 -0.075 2.946 579 HB1 ALA 73 3HB ALA 73 -2.149 -1.392 3.219 580 HB2 ALA 73 1HB ALA 73 -0.961 -1.718 1.955 581 HB3 ALA 73 2HB ALA 73 -1.726 -0.131 2.060 582 H THR 74 H THR 74 -1.730 -0.787 5.587 583 HA THR 74 HA THR 74 -2.645 1.828 6.039 584 HB THR 74 HB THR 74 -2.297 -0.393 8.075 585 HG1 THR 74 HG1 THR 74 -3.714 -0.850 6.251 586 HG21 THR 74 3HG2 THR 74 -4.034 0.798 9.361 587 HG22 THR 74 1HG2 THR 74 -3.985 2.115 8.187 588 HG23 THR 74 2HG2 THR 74 -2.571 1.764 9.180 589 H GLU 75 H GLU 75 0.110 0.080 7.468 590 HA GLU 75 HA GLU 75 1.038 2.004 9.244 591 HB2 GLU 75 2HB GLU 75 2.565 -0.016 7.588 592 HB3 GLU 75 3HB GLU 75 3.303 0.937 8.867 593 HG2 GLU 75 2HG GLU 75 1.914 -0.082 10.528 594 HG3 GLU 75 3HG GLU 75 0.951 -0.894 9.295 595 H VAL 76 H VAL 76 1.763 1.688 5.765 596 HA VAL 76 HA VAL 76 3.581 3.861 5.639 597 HB VAL 76 HB VAL 76 1.892 2.665 3.431 598 HG11 VAL 76 1HG1 VAL 76 4.285 4.508 3.266 599 HG12 VAL 76 2HG1 VAL 76 2.626 4.895 2.805 600 HG13 VAL 76 3HG1 VAL 76 3.533 3.688 1.895 601 HG21 VAL 76 3HG2 VAL 76 4.750 2.132 4.257 602 HG22 VAL 76 1HG2 VAL 76 3.958 1.460 2.830 603 HG23 VAL 76 2HG2 VAL 76 3.383 1.033 4.442 604 H ILE 77 H ILE 77 0.091 3.675 4.832 605 HA ILE 77 HA ILE 77 -0.225 6.349 4.042 606 HB ILE 77 HB ILE 77 -2.292 4.566 5.360 607 HG12 ILE 77 2HG1 ILE 77 -1.684 5.061 2.425 608 HG13 ILE 77 3HG1 ILE 77 -1.314 3.588 3.314 609 HG21 ILE 77 1HG2 ILE 77 -3.948 6.024 4.262 610 HG22 ILE 77 2HG2 ILE 77 -2.646 7.077 3.709 611 HG23 ILE 77 3HG2 ILE 77 -2.969 6.904 5.435 612 HD11 ILE 77 3HD1 ILE 77 -3.285 3.291 1.956 613 HD12 ILE 77 1HD1 ILE 77 -4.061 4.671 2.732 614 HD13 ILE 77 2HD1 ILE 77 -3.714 3.215 3.664 615 H ASN 78 H ASN 78 -0.603 4.886 7.276 616 HA ASN 78 HA ASN 78 -1.300 7.186 8.708 617 HB2 ASN 78 2HB ASN 78 0.415 4.857 9.623 618 HB3 ASN 78 3HB ASN 78 -0.297 6.064 10.689 619 HD21 ASN 78 1HD2 ASN 78 -0.695 3.250 10.742 620 HD22 ASN 78 2HD2 ASN 78 -2.381 2.978 10.492 621 H PHE 79 H PHE 79 1.910 5.893 7.915 622 HA PHE 79 HA PHE 79 3.472 7.811 9.226 623 HB2 PHE 79 2HB PHE 79 4.264 5.628 8.281 624 HB3 PHE 79 3HB PHE 79 4.159 6.331 6.672 625 HD1 PHE 79 HD2 PHE 79 5.764 6.903 9.991 626 HD2 PHE 79 HD1 PHE 79 6.041 7.348 5.762 627 HE1 PHE 79 HE2 PHE 79 8.066 7.735 10.234 628 HE2 PHE 79 HE1 PHE 79 8.348 8.172 6.002 629 HZ PHE 79 HZ PHE 79 9.362 8.367 8.240 630 H TRP 80 H TRP 80 2.238 7.780 5.874 631 HA TRP 80 HA TRP 80 3.420 10.154 4.976 632 HB2 TRP 80 2HB TRP 80 2.253 8.542 3.504 633 HB3 TRP 80 3HB TRP 80 0.713 9.021 4.208 634 HD1 TRP 80 HD1 TRP 80 3.418 10.238 1.794 635 HE1 TRP 80 HE1 TRP 80 2.497 12.217 0.433 636 HE3 TRP 80 HE3 TRP 80 -1.003 10.956 4.284 637 HZ2 TRP 80 HZ2 TRP 80 0.206 13.863 0.420 638 HZ3 TRP 80 HZ3 TRP 80 -2.499 12.755 3.527 639 HH2 TRP 80 HH2 TRP 80 -1.905 14.178 1.631 640 H GLN 81 H GLN 81 0.125 9.713 6.305 641 HA GLN 81 HA GLN 81 -0.576 12.424 6.432 642 HB2 GLN 81 2HB GLN 81 -2.164 10.537 6.661 643 HB3 GLN 81 3HB GLN 81 -1.493 10.167 8.240 644 HG2 GLN 81 2HG GLN 81 -2.669 12.867 7.672 645 HG3 GLN 81 3HG GLN 81 -3.702 11.501 8.073 646 HE21 GLN 81 1HE2 GLN 81 -3.150 14.016 9.521 647 HE22 GLN 81 2HE2 GLN 81 -2.625 13.522 11.093 648 H ASP 82 H ASP 82 1.071 10.355 8.770 649 HA ASP 82 HA ASP 82 1.221 12.015 10.981 650 HB2 ASP 82 2HB ASP 82 1.903 9.647 10.945 651 HB3 ASP 82 3HB ASP 82 3.299 10.063 9.957 652 H LEU 83 H LEU 83 3.535 11.763 8.283 653 HA LEU 83 HA LEU 83 5.289 13.802 9.137 654 HB2 LEU 83 2HB LEU 83 4.704 12.943 6.296 655 HB3 LEU 83 3HB LEU 83 6.126 13.812 6.842 656 HG LEU 83 HG LEU 83 5.393 10.962 7.545 657 HD11 LEU 83 1HD1 LEU 83 7.391 10.391 6.252 658 HD12 LEU 83 2HD1 LEU 83 7.605 12.090 5.831 659 HD13 LEU 83 3HD1 LEU 83 6.184 11.212 5.263 660 HD21 LEU 83 3HD2 LEU 83 6.499 12.043 9.429 661 HD22 LEU 83 1HD2 LEU 83 7.800 12.591 8.371 662 HD23 LEU 83 2HD2 LEU 83 7.568 10.866 8.667 663 H LYS 84 H LYS 84 2.384 13.897 7.118 664 HA LYS 84 HA LYS 84 2.699 16.510 6.119 665 HB2 LYS 84 2HB LYS 84 0.199 14.853 6.512 666 HB3 LYS 84 3HB LYS 84 0.240 16.376 5.630 667 HG2 LYS 84 2HG LYS 84 1.874 13.943 4.913 668 HG3 LYS 84 3HG LYS 84 0.324 14.359 4.182 669 HD2 LYS 84 2HD LYS 84 2.626 16.301 4.161 670 HD3 LYS 84 3HD LYS 84 2.502 15.027 2.950 671 HE2 LYS 84 2HE LYS 84 1.550 17.063 2.072 672 HE3 LYS 84 3HE LYS 84 0.268 15.881 2.319 673 HZ1 LYS 84 3HZ LYS 84 -0.405 18.069 3.057 674 HZ2 LYS 84 1HZ LYS 84 0.909 18.158 4.114 675 HZ3 LYS 84 2HZ LYS 84 -0.317 17.022 4.376 676 H ASN 85 H ASN 85 0.833 15.394 8.990 677 HA ASN 85 HA ASN 85 -0.053 18.067 9.565 678 HB2 ASN 85 2HB ASN 85 -1.023 17.162 11.615 679 HB3 ASN 85 3HB ASN 85 -1.421 16.145 10.236 680 HD21 ASN 85 1HD2 ASN 85 -0.689 14.067 10.182 681 HD22 ASN 85 2HD2 ASN 85 0.117 13.314 11.511 682 H GLN 86 H GLN 86 2.707 16.151 10.563 683 HA GLN 86 HA GLN 86 3.476 18.117 12.589 684 HB2 GLN 86 2HB GLN 86 4.880 15.605 11.651 685 HB3 GLN 86 3HB GLN 86 5.395 16.612 12.998 686 HG2 GLN 86 2HG GLN 86 3.299 16.119 14.166 687 HG3 GLN 86 3HG GLN 86 2.792 15.101 12.819 688 HE21 GLN 86 1HE2 GLN 86 3.917 13.161 12.442 689 HE22 GLN 86 2HE2 GLN 86 4.830 12.396 13.689 690 H ASN 87 H ASN 87 3.887 17.724 9.267 691 HA ASN 87 HA ASN 87 5.194 18.677 7.682 692 HB2 ASN 87 2HB ASN 87 5.665 20.644 9.923 693 HB3 ASN 87 3HB ASN 87 6.296 20.881 8.295 694 HD21 ASN 87 1HD2 ASN 87 3.456 20.832 10.277 695 HD22 ASN 87 2HD2 ASN 87 2.385 21.502 9.102 696 H LYS 88 H LYS 88 6.345 16.506 9.022 697 HA LYS 88 HA LYS 88 9.105 17.037 9.621 698 HB2 LYS 88 2HB LYS 88 7.612 14.473 9.035 699 HB3 LYS 88 3HB LYS 88 9.326 14.521 9.425 700 HG2 LYS 88 2HG LYS 88 8.782 15.538 11.605 701 HG3 LYS 88 3HG LYS 88 7.065 15.424 11.209 702 HD2 LYS 88 2HD LYS 88 7.186 13.016 11.126 703 HD3 LYS 88 3HD LYS 88 8.941 13.054 11.315 704 HE2 LYS 88 2HE LYS 88 6.908 13.948 13.369 705 HE3 LYS 88 3HE LYS 88 7.844 12.454 13.414 706 HZ1 LYS 88 3HZ LYS 88 9.870 13.859 13.465 707 HZ2 LYS 88 1HZ LYS 88 8.886 14.035 14.829 708 HZ3 LYS 88 2HZ LYS 88 8.885 15.223 13.629 709 H GLN 89 H GLN 89 10.352 17.856 8.027 710 HA GLN 89 HA GLN 89 9.975 17.055 5.264 711 HB2 GLN 89 2HB GLN 89 10.519 19.412 5.969 712 HB3 GLN 89 3HB GLN 89 12.126 18.855 6.411 713 HG2 GLN 89 2HG GLN 89 12.240 19.864 4.249 714 HG3 GLN 89 3HG GLN 89 12.471 18.128 4.063 715 HE21 GLN 89 1HE2 GLN 89 10.330 20.805 3.511 716 HE22 GLN 89 2HE2 GLN 89 9.277 19.992 2.410 717 H ILE 90 H ILE 90 10.492 14.743 5.958 718 HA ILE 90 HA ILE 90 13.369 14.210 6.123 719 HB ILE 90 HB ILE 90 12.788 11.869 6.481 720 HG12 ILE 90 2HG1 ILE 90 9.885 12.731 6.314 721 HG13 ILE 90 3HG1 ILE 90 10.737 11.850 5.049 722 HG21 ILE 90 1HG2 ILE 90 11.212 13.756 8.232 723 HG22 ILE 90 2HG2 ILE 90 12.911 13.314 8.416 724 HG23 ILE 90 3HG2 ILE 90 11.654 12.100 8.653 725 HD11 ILE 90 3HD1 ILE 90 10.183 10.878 7.840 726 HD12 ILE 90 1HD1 ILE 90 11.109 9.999 6.623 727 HD13 ILE 90 2HD1 ILE 90 9.399 10.339 6.355 728 H SER 91 H SER 91 14.339 12.590 4.712 729 HA SER 91 HA SER 91 13.655 13.098 1.947 730 HB2 SER 91 2HB SER 91 15.886 11.453 3.181 731 HB3 SER 91 3HB SER 91 15.722 11.798 1.459 732 HG SER 91 HG SER 91 16.899 13.285 3.291 733 H MET 92 H MET 92 12.998 11.614 0.414 734 HA MET 92 HA MET 92 11.198 9.631 1.007 735 HB2 MET 92 2HB MET 92 11.386 10.568 -1.212 736 HB3 MET 92 3HB MET 92 12.996 9.897 -1.413 737 HG2 MET 92 2HG MET 92 10.551 8.187 -1.048 738 HG3 MET 92 3HG MET 92 11.118 8.727 -2.626 739 HE1 MET 92 3HE MET 92 12.181 4.978 -2.703 740 HE2 MET 92 1HE MET 92 11.344 6.278 -3.552 741 HE3 MET 92 2HE MET 92 10.702 5.659 -2.029 742 H ALA 93 H ALA 93 14.693 9.227 0.529 743 HA ALA 93 HA ALA 93 14.890 6.460 0.549 744 HB1 ALA 93 3HB ALA 93 16.832 8.429 1.758 745 HB2 ALA 93 1HB ALA 93 16.763 7.960 0.060 746 HB3 ALA 93 2HB ALA 93 17.196 6.769 1.288 747 H GLU 94 H GLU 94 14.387 8.627 3.276 748 HA GLU 94 HA GLU 94 14.998 6.785 5.341 749 HB2 GLU 94 2HB GLU 94 13.191 9.217 5.388 750 HB3 GLU 94 3HB GLU 94 13.732 8.339 6.816 751 HG2 GLU 94 2HG GLU 94 16.067 8.875 6.234 752 HG3 GLU 94 3HG GLU 94 15.488 9.796 4.848 753 H ALA 95 H ALA 95 12.071 7.383 3.479 754 HA ALA 95 HA ALA 95 10.237 5.921 5.040 755 HB1 ALA 95 3HB ALA 95 8.871 5.774 3.032 756 HB2 ALA 95 1HB ALA 95 10.254 6.234 2.033 757 HB3 ALA 95 2HB ALA 95 9.567 7.388 3.179 758 H GLN 96 H GLN 96 12.572 4.875 2.597 759 HA GLN 96 HA GLN 96 11.810 2.119 2.592 760 HB2 GLN 96 2HB GLN 96 14.246 3.622 1.656 761 HB3 GLN 96 3HB GLN 96 14.227 1.864 1.651 762 HG2 GLN 96 2HG GLN 96 12.148 3.546 0.263 763 HG3 GLN 96 3HG GLN 96 13.613 2.956 -0.522 764 HE21 GLN 96 1HE2 GLN 96 10.584 2.023 0.936 765 HE22 GLN 96 2HE2 GLN 96 10.516 0.443 0.249 766 H GLY 97 H GLY 97 13.869 4.059 4.641 767 HA2 GLY 97 2HA GLY 97 15.106 1.847 6.003 768 HA3 GLY 97 3HA GLY 97 15.078 3.522 6.535 769 H LYS 98 H LYS 98 12.072 3.502 6.267 770 HA LYS 98 HA LYS 98 11.485 2.424 8.909 771 HB2 LYS 98 2HB LYS 98 10.735 4.697 8.349 772 HB3 LYS 98 3HB LYS 98 9.775 4.065 7.021 773 HG2 LYS 98 2HG LYS 98 8.337 4.553 8.888 774 HG3 LYS 98 3HG LYS 98 8.400 2.807 8.645 775 HD2 LYS 98 2HD LYS 98 8.520 3.311 11.015 776 HD3 LYS 98 3HD LYS 98 10.058 2.637 10.476 777 HE2 LYS 98 2HE LYS 98 11.047 4.851 10.413 778 HE3 LYS 98 3HE LYS 98 9.496 5.587 10.815 779 HZ1 LYS 98 3HZ LYS 98 10.993 5.396 12.731 780 HZ2 LYS 98 1HZ LYS 98 10.979 3.713 12.578 781 HZ3 LYS 98 2HZ LYS 98 9.556 4.540 12.962 782 H PHE 99 H PHE 99 10.374 1.970 5.552 783 HA PHE 99 HA PHE 99 9.044 -0.534 6.399 784 HB2 PHE 99 2HB PHE 99 8.133 1.282 4.150 785 HB3 PHE 99 3HB PHE 99 7.342 -0.194 4.693 786 HD1 PHE 99 HD2 PHE 99 6.565 -0.226 7.185 787 HD2 PHE 99 HD1 PHE 99 7.448 3.322 4.995 788 HE1 PHE 99 HE2 PHE 99 5.211 1.086 8.766 789 HE2 PHE 99 HE1 PHE 99 6.100 4.635 6.577 790 HZ PHE 99 HZ PHE 99 4.978 3.520 8.464 791 HA PRO 100 HA PRO 100 12.337 -1.584 3.296 792 HB2 PRO 100 2HB PRO 100 13.038 -3.955 4.430 793 HB3 PRO 100 3HB PRO 100 13.690 -2.403 4.971 794 HG2 PRO 100 2HG PRO 100 11.444 -4.019 6.136 795 HG3 PRO 100 3HG PRO 100 12.785 -3.209 6.970 796 HD2 PRO 100 2HD PRO 100 10.316 -2.114 6.834 797 HD3 PRO 100 3HD PRO 100 11.787 -1.119 6.811 798 H GLU 101 H GLU 101 9.539 -3.299 4.467 799 HA GLU 101 HA GLU 101 9.647 -5.359 2.419 800 HB2 GLU 101 2HB GLU 101 7.481 -4.741 4.446 801 HB3 GLU 101 3HB GLU 101 7.585 -6.188 3.452 802 HG2 GLU 101 2HG GLU 101 9.575 -6.907 4.594 803 HG3 GLU 101 3HG GLU 101 9.662 -5.389 5.487 804 H VAL 102 H VAL 102 8.696 -2.174 2.384 805 HA VAL 102 HA VAL 102 6.468 -2.662 0.501 806 HB VAL 102 HB VAL 102 7.089 -0.137 2.054 807 HG11 VAL 102 1HG1 VAL 102 4.759 -0.843 0.260 808 HG12 VAL 102 2HG1 VAL 102 5.997 0.375 -0.048 809 HG13 VAL 102 3HG1 VAL 102 4.853 0.597 1.276 810 HG21 VAL 102 3HG2 VAL 102 4.897 -2.179 2.486 811 HG22 VAL 102 1HG2 VAL 102 5.121 -0.682 3.394 812 HG23 VAL 102 2HG2 VAL 102 6.322 -1.968 3.505 813 H VAL 103 H VAL 103 6.674 -2.086 -1.576 814 HA VAL 103 HA VAL 103 9.168 -0.887 -2.492 815 HB VAL 103 HB VAL 103 6.837 -2.089 -4.008 816 HG11 VAL 103 1HG1 VAL 103 9.456 -1.028 -5.086 817 HG12 VAL 103 2HG1 VAL 103 7.844 -0.379 -5.398 818 HG13 VAL 103 3HG1 VAL 103 8.284 -1.974 -6.008 819 HG21 VAL 103 3HG2 VAL 103 8.395 -3.916 -4.494 820 HG22 VAL 103 1HG2 VAL 103 8.173 -3.715 -2.756 821 HG23 VAL 103 2HG2 VAL 103 9.641 -3.121 -3.533 822 H PHE 104 H PHE 104 9.175 1.313 -2.264 823 HA PHE 104 HA PHE 104 6.815 2.872 -2.944 824 HB2 PHE 104 2HB PHE 104 9.568 3.670 -1.958 825 HB3 PHE 104 3HB PHE 104 8.320 4.840 -2.367 826 HD1 PHE 104 HD1 PHE 104 9.002 1.928 -0.148 827 HD2 PHE 104 HD2 PHE 104 6.763 5.497 -0.766 828 HE1 PHE 104 HE1 PHE 104 8.117 1.765 2.142 829 HE2 PHE 104 HE2 PHE 104 5.874 5.336 1.521 830 HZ PHE 104 HZ PHE 104 6.552 3.469 2.980 831 H SER 105 H SER 105 6.684 4.396 -4.616 832 HA SER 105 HA SER 105 8.402 3.786 -6.920 833 HB2 SER 105 2HB SER 105 5.734 5.226 -6.789 834 HB3 SER 105 3HB SER 105 6.638 4.905 -8.270 835 HG SER 105 HG SER 105 5.674 2.927 -6.465 836 H GLY 106 H GLY 106 10.022 5.099 -7.383 837 HA2 GLY 106 2HA GLY 106 9.750 7.997 -6.815 838 HA3 GLY 106 3HA GLY 106 11.252 7.119 -6.561 839 H SER 107 H SER 107 11.880 9.042 -8.037 840 HA SER 107 HA SER 107 11.463 8.284 -10.870 841 HB2 SER 107 2HB SER 107 10.343 10.414 -10.336 842 HB3 SER 107 3HB SER 107 11.872 11.079 -9.762 843 HG SER 107 HG SER 107 12.177 11.648 -11.755 844 H ASN 108 H ASN 108 13.331 6.978 -10.877 845 HA ASN 108 HA ASN 108 15.917 8.374 -10.699 846 HB2 ASN 108 2HB ASN 108 15.723 6.197 -9.539 847 HB3 ASN 108 3HB ASN 108 15.320 5.419 -11.069 848 HD21 ASN 108 1HD2 ASN 108 17.104 4.057 -10.972 849 HD22 ASN 108 2HD2 ASN 108 18.715 4.625 -11.216 850 H LEU 109 H LEU 109 14.097 6.267 -12.930 851 HA LEU 109 HA LEU 109 15.709 7.181 -15.193 852 HB2 LEU 109 2HB LEU 109 13.471 5.156 -14.991 853 HB3 LEU 109 3HB LEU 109 14.239 5.603 -16.501 854 HG LEU 109 HG LEU 109 16.420 4.782 -15.559 855 HD11 LEU 109 1HD1 LEU 109 14.663 3.696 -13.358 856 HD12 LEU 109 2HD1 LEU 109 15.917 4.924 -13.191 857 HD13 LEU 109 3HD1 LEU 109 16.356 3.276 -13.628 858 HD21 LEU 109 3HD2 LEU 109 14.191 2.751 -15.729 859 HD22 LEU 109 1HD2 LEU 109 15.916 2.417 -15.899 860 HD23 LEU 109 2HD2 LEU 109 15.088 3.422 -17.091 861 H GLU 110 H GLU 110 14.940 8.497 -16.830 862 HA GLU 110 HA GLU 110 12.894 10.334 -16.103 863 HB2 GLU 110 2HB GLU 110 14.315 10.013 -18.758 864 HB3 GLU 110 3HB GLU 110 13.375 11.413 -18.256 865 HG2 GLU 110 2HG GLU 110 14.971 11.775 -16.400 866 HG3 GLU 110 3HG GLU 110 15.934 10.428 -17.000 867 H HIS 111 H HIS 111 10.907 9.351 -15.935 868 HA HIS 111 HA HIS 111 9.772 7.823 -18.118 869 HB2 HIS 111 2HB HIS 111 9.236 7.216 -15.805 870 HB3 HIS 111 3HB HIS 111 8.555 8.813 -15.522 871 HD1 HIS 111 HD1 HIS 111 7.872 5.650 -17.490 872 HD2 HIS 111 HD2 HIS 111 5.902 9.082 -16.209 873 HE1 HIS 111 HE1 HIS 111 5.445 5.267 -18.011 874 HE2 HIS 111 HE2 HIS 111 4.261 7.320 -17.162 875 H HIS 112 H HIS 112 8.891 10.886 -16.481 876 HA HIS 112 HA HIS 112 7.403 11.724 -18.864 877 HB2 HIS 112 2HB HIS 112 6.306 12.001 -16.689 878 HB3 HIS 112 3HB HIS 112 7.638 13.001 -16.126 879 HD1 HIS 112 HD1 HIS 112 5.134 13.096 -19.006 880 HD2 HIS 112 HD2 HIS 112 7.073 15.630 -16.342 881 HE1 HIS 112 HE1 HIS 112 4.215 15.386 -19.465 882 HE2 HIS 112 HE2 HIS 112 5.284 16.869 -17.741 883 H HIS 113 H HIS 113 9.327 11.930 -20.157 884 HA HIS 113 HA HIS 113 10.464 14.564 -20.176 885 HB2 HIS 113 2HB HIS 113 11.823 13.416 -18.396 886 HB3 HIS 113 3HB HIS 113 12.345 12.252 -19.603 887 HD1 HIS 113 HD1 HIS 113 12.836 15.786 -18.506 888 HD2 HIS 113 HD2 HIS 113 14.337 13.164 -21.352 889 HE1 HIS 113 HE1 HIS 113 14.897 16.885 -19.412 890 HE2 HIS 113 HE2 HIS 113 15.916 15.160 -20.920 891 H HIS 114 H HIS 114 9.545 14.469 -22.293 892 HA HIS 114 HA HIS 114 10.058 12.175 -23.968 893 HB2 HIS 114 2HB HIS 114 7.844 13.305 -23.851 894 HB3 HIS 114 3HB HIS 114 8.550 14.707 -24.647 895 HD1 HIS 114 HD1 HIS 114 8.935 14.562 -27.179 896 HD2 HIS 114 HD2 HIS 114 7.484 11.039 -25.516 897 HE1 HIS 114 HE1 HIS 114 8.266 13.124 -29.124 898 HE2 HIS 114 HE2 HIS 114 7.528 10.949 -28.100 899 H HIS 115 H HIS 115 11.901 11.980 -25.015 900 HA HIS 115 HA HIS 115 12.604 13.894 -27.059 901 HB2 HIS 115 2HB HIS 115 14.311 13.497 -24.635 902 HB3 HIS 115 3HB HIS 115 15.132 13.603 -26.187 903 HD1 HIS 115 HD1 HIS 115 13.288 15.666 -23.684 904 HD2 HIS 115 HD2 HIS 115 14.980 16.134 -27.452 905 HE1 HIS 115 HE1 HIS 115 13.417 18.143 -24.062 906 HE2 HIS 115 HE2 HIS 115 14.286 18.394 -26.403 907 H HIS 116 H HIS 116 13.844 12.931 -28.746 908 HA HIS 116 HA HIS 116 13.639 10.079 -28.900 909 HB2 HIS 116 2HB HIS 116 14.791 10.376 -31.135 910 HB3 HIS 116 3HB HIS 116 13.271 11.229 -30.929 911 HD1 HIS 116 HD1 HIS 116 16.050 12.979 -29.293 912 HD2 HIS 116 HD2 HIS 116 14.370 12.843 -33.090 913 HE1 HIS 116 HE1 HIS 116 16.839 15.054 -30.451 914 HE2 HIS 116 HE2 HIS 116 16.025 14.813 -32.815
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