NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
180176 | 2kon | 16521 | 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 5.559 -3.157 -14.998 2 H2 MET 1 2H MET 1 4.076 -3.955 -15.224 3 H3 MET 1 3H MET 1 5.170 -4.505 -14.046 4 HA MET 1 HA MET 1 3.447 -2.117 -14.006 5 HB2 MET 1 1HB MET 1 4.084 -4.393 -12.110 6 HB3 MET 1 2HB MET 1 3.107 -2.996 -11.651 7 HG2 MET 1 1HG MET 1 1.509 -3.491 -13.443 8 HG3 MET 1 2HG MET 1 2.504 -4.842 -13.981 9 HE1 MET 1 3HE MET 1 0.540 -3.172 -11.356 10 HE2 MET 1 1HE MET 1 1.563 -3.841 -10.078 11 HE3 MET 1 2HE MET 1 -0.090 -4.413 -10.277 12 H ASN 2 H ASN 2 5.129 -0.540 -14.249 13 HA ASN 2 HA ASN 2 7.452 -0.546 -12.496 14 HB2 ASN 2 1HB ASN 2 6.271 1.495 -14.388 15 HB3 ASN 2 2HB ASN 2 7.704 1.830 -13.413 16 HD21 ASN 2 2HD2 ASN 2 7.869 1.747 -16.269 17 HD22 ASN 2 1HD2 ASN 2 8.793 0.395 -16.715 18 H VAL 3 H VAL 3 7.857 0.931 -10.784 19 HA VAL 3 HA VAL 3 5.574 1.442 -9.080 20 HB VAL 3 HB VAL 3 7.261 2.504 -7.581 21 HG11 VAL 3 1HG1 VAL 3 8.697 0.435 -7.351 22 HG12 VAL 3 2HG1 VAL 3 7.955 -0.164 -8.835 23 HG13 VAL 3 3HG1 VAL 3 6.963 0.120 -7.405 24 HG21 VAL 3 3HG2 VAL 3 9.686 2.254 -8.369 25 HG22 VAL 3 1HG2 VAL 3 8.762 3.551 -9.126 26 HG23 VAL 3 2HG2 VAL 3 9.036 2.041 -9.993 27 H ALA 4 H ALA 4 4.540 3.378 -8.659 28 HA ALA 4 HA ALA 4 5.096 5.610 -10.557 29 HB1 ALA 4 3HB ALA 4 2.857 6.386 -10.010 30 HB2 ALA 4 1HB ALA 4 2.729 5.211 -8.701 31 HB3 ALA 4 2HB ALA 4 2.775 4.662 -10.376 32 H HIS 5 H HIS 5 5.675 7.642 -9.820 33 HA HIS 5 HA HIS 5 6.704 7.804 -7.079 34 HB2 HIS 5 1HB HIS 5 6.689 9.793 -9.360 35 HB3 HIS 5 2HB HIS 5 7.495 10.056 -7.812 36 HD1 HIS 5 HD1 HIS 5 9.512 10.090 -9.865 37 HD2 HIS 5 HD2 HIS 5 8.042 6.437 -8.500 38 HE1 HIS 5 HE1 HIS 5 11.245 8.347 -10.477 39 H TYR 6 H TYR 6 6.023 9.325 -5.508 40 HA TYR 6 HA TYR 6 3.643 10.976 -6.038 41 HB2 TYR 6 1HB TYR 6 2.634 8.807 -5.497 42 HB3 TYR 6 2HB TYR 6 3.593 8.708 -4.021 43 HD1 TYR 6 HD2 TYR 6 1.106 10.891 -5.773 44 HD2 TYR 6 HD1 TYR 6 2.760 9.621 -2.018 45 HE1 TYR 6 HE2 TYR 6 -0.624 12.198 -4.569 46 HE2 TYR 6 HE1 TYR 6 1.029 10.925 -0.814 47 HH TYR 6 HH TYR 6 -1.418 11.758 -1.451 48 H ARG 7 H ARG 7 4.257 12.869 -5.168 49 HA ARG 7 HA ARG 7 5.259 14.427 -3.738 50 HB2 ARG 7 1HB ARG 7 4.462 12.324 -1.703 51 HB3 ARG 7 2HB ARG 7 4.937 13.979 -1.317 52 HG2 ARG 7 1HG ARG 7 3.071 14.848 -2.661 53 HG3 ARG 7 2HG ARG 7 2.604 13.205 -3.095 54 HD2 ARG 7 1HD ARG 7 1.170 13.757 -1.300 55 HD3 ARG 7 2HD ARG 7 2.429 12.778 -0.555 56 HE ARG 7 HE ARG 7 2.082 15.710 -0.244 57 HH11 ARG 7 1HH2 ARG 7 3.942 12.843 0.310 58 HH12 ARG 7 2HH2 ARG 7 4.821 13.523 1.634 59 HH21 ARG 7 1HH1 ARG 7 3.231 16.594 1.474 60 HH22 ARG 7 2HH1 ARG 7 4.422 15.639 2.293 61 H GLY 8 H GLY 8 6.982 12.329 -4.928 62 HA2 GLY 8 1HA GLY 8 9.365 12.151 -4.810 63 HA3 GLY 8 2HA GLY 8 9.309 12.743 -3.152 64 H TYR 9 H TYR 9 6.957 10.467 -3.287 65 HA TYR 9 HA TYR 9 8.794 8.334 -2.259 66 HB2 TYR 9 1HB TYR 9 5.854 8.872 -1.763 67 HB3 TYR 9 2HB TYR 9 6.711 7.450 -1.168 68 HD1 TYR 9 HD2 TYR 9 6.384 11.118 -0.905 69 HD2 TYR 9 HD1 TYR 9 8.368 7.617 0.597 70 HE1 TYR 9 HE2 TYR 9 7.229 12.425 1.026 71 HE2 TYR 9 HE1 TYR 9 9.214 8.923 2.527 72 HH TYR 9 HH TYR 9 9.360 10.930 3.463 73 H GLU 10 H GLU 10 8.701 6.283 -3.126 74 HA GLU 10 HA GLU 10 7.342 6.023 -5.739 75 HB2 GLU 10 1HB GLU 10 9.299 4.254 -4.252 76 HB3 GLU 10 2HB GLU 10 8.605 3.844 -5.821 77 HG2 GLU 10 1HG GLU 10 9.563 5.860 -6.811 78 HG3 GLU 10 2HG GLU 10 10.187 6.364 -5.240 79 H ILE 11 H ILE 11 5.781 4.461 -6.176 80 HA ILE 11 HA ILE 11 4.595 3.047 -3.805 81 HB ILE 11 HB ILE 11 3.174 4.239 -6.207 82 HG12 ILE 11 1HG1 ILE 11 2.968 4.970 -3.270 83 HG13 ILE 11 2HG1 ILE 11 3.996 5.833 -4.414 84 HG21 ILE 11 1HG2 ILE 11 2.238 2.570 -3.863 85 HG22 ILE 11 2HG2 ILE 11 2.001 2.257 -5.582 86 HG23 ILE 11 3HG2 ILE 11 1.134 3.577 -4.799 87 HD11 ILE 11 3HD1 ILE 11 2.005 6.302 -5.822 88 HD12 ILE 11 1HD1 ILE 11 1.842 6.982 -4.204 89 HD13 ILE 11 2HD1 ILE 11 0.990 5.497 -4.626 90 H GLU 12 H GLU 12 4.224 0.897 -4.072 91 HA GLU 12 HA GLU 12 4.747 -0.303 -6.777 92 HB2 GLU 12 1HB GLU 12 6.436 -0.726 -4.876 93 HB3 GLU 12 2HB GLU 12 5.171 -1.710 -4.141 94 HG2 GLU 12 1HG GLU 12 5.013 -2.925 -6.389 95 HG3 GLU 12 2HG GLU 12 6.522 -2.116 -6.814 96 HA PRO 13 HA PRO 13 0.315 -1.137 -5.657 97 HB2 PRO 13 1HB PRO 13 0.199 -1.598 -8.605 98 HB3 PRO 13 2HB PRO 13 -0.844 -0.591 -7.582 99 HG2 PRO 13 1HG PRO 13 0.968 0.481 -9.235 100 HG3 PRO 13 2HG PRO 13 0.594 1.208 -7.663 101 HD2 PRO 13 1HD PRO 13 2.986 -0.412 -8.462 102 HD3 PRO 13 2HD PRO 13 2.875 0.972 -7.354 103 H GLY 14 H GLY 14 -0.720 -3.149 -5.460 104 HA2 GLY 14 1HA GLY 14 -0.221 -5.470 -6.998 105 HA3 GLY 14 2HA GLY 14 0.883 -5.512 -5.622 106 H HIS 15 H HIS 15 -0.503 -7.498 -5.154 107 HA HIS 15 HA HIS 15 -2.630 -6.714 -3.245 108 HB2 HIS 15 1HB HIS 15 -4.175 -8.439 -4.176 109 HB3 HIS 15 2HB HIS 15 -3.879 -7.118 -5.305 110 HD1 HIS 15 HD1 HIS 15 -1.902 -7.630 -7.129 111 HD2 HIS 15 HD2 HIS 15 -3.582 -10.936 -5.225 112 HE1 HIS 15 HE1 HIS 15 -1.308 -9.648 -8.540 113 H GLN 16 H GLN 16 -2.782 -8.152 -1.528 114 HA GLN 16 HA GLN 16 -1.614 -10.817 -1.652 115 HB2 GLN 16 1HB GLN 16 0.416 -9.375 -1.377 116 HB3 GLN 16 2HB GLN 16 -0.279 -8.739 0.113 117 HG2 GLN 16 1HG GLN 16 1.283 -10.531 0.661 118 HG3 GLN 16 2HG GLN 16 -0.356 -11.064 1.026 119 HE21 GLN 16 2HE2 GLN 16 -0.152 -13.314 0.612 120 HE22 GLN 16 1HE2 GLN 16 0.296 -13.952 -0.896 121 H TYR 17 H TYR 17 -2.196 -12.051 0.220 122 HA TYR 17 HA TYR 17 -4.255 -10.725 1.951 123 HB2 TYR 17 1HB TYR 17 -5.274 -12.904 2.199 124 HB3 TYR 17 2HB TYR 17 -5.004 -12.633 0.479 125 HD1 TYR 17 HD1 TYR 17 -3.850 -14.443 3.478 126 HD2 TYR 17 HD2 TYR 17 -3.347 -13.912 -0.754 127 HE1 TYR 17 HE1 TYR 17 -2.488 -16.512 3.385 128 HE2 TYR 17 HE2 TYR 17 -1.984 -15.982 -0.851 129 HH TYR 17 HH TYR 17 -0.783 -17.526 1.947 130 H ARG 18 H ARG 18 -4.140 -10.932 4.154 131 HA ARG 18 HA ARG 18 -1.520 -11.900 5.214 132 HB2 ARG 18 1HB ARG 18 -3.631 -10.058 6.350 133 HB3 ARG 18 2HB ARG 18 -2.279 -10.664 7.308 134 HG2 ARG 18 1HG ARG 18 -0.717 -9.727 5.585 135 HG3 ARG 18 2HG ARG 18 -2.107 -9.018 4.768 136 HD2 ARG 18 1HD ARG 18 -2.641 -7.682 6.730 137 HD3 ARG 18 2HD ARG 18 -1.357 -8.466 7.652 138 HE ARG 18 HE ARG 18 -0.441 -7.139 5.203 139 HH11 ARG 18 1HH2 ARG 18 -1.129 -6.924 8.576 140 HH12 ARG 18 2HH2 ARG 18 -0.058 -5.590 8.843 141 HH21 ARG 18 1HH1 ARG 18 0.958 -5.398 5.533 142 HH22 ARG 18 2HH1 ARG 18 1.124 -4.725 7.121 143 H ASP 19 H ASP 19 -1.396 -13.542 6.684 144 HA ASP 19 HA ASP 19 -3.586 -15.404 6.848 145 HB2 ASP 19 1HB ASP 19 -0.981 -15.211 8.388 146 HB3 ASP 19 2HB ASP 19 -2.101 -16.568 8.518 147 H ASP 20 H ASP 20 -2.676 -12.646 8.716 148 HA ASP 20 HA ASP 20 -3.841 -13.349 11.235 149 HB2 ASP 20 1HB ASP 20 -3.433 -10.680 9.860 150 HB3 ASP 20 2HB ASP 20 -4.067 -10.825 11.499 151 H ILE 21 H ILE 21 -5.175 -11.785 8.348 152 HA ILE 21 HA ILE 21 -7.935 -12.094 9.479 153 HB ILE 21 HB ILE 21 -8.501 -10.445 7.588 154 HG12 ILE 21 1HG1 ILE 21 -5.519 -9.929 7.708 155 HG13 ILE 21 2HG1 ILE 21 -6.262 -10.895 6.434 156 HG21 ILE 21 1HG2 ILE 21 -6.670 -9.665 9.882 157 HG22 ILE 21 2HG2 ILE 21 -8.433 -9.710 9.901 158 HG23 ILE 21 3HG2 ILE 21 -7.592 -8.505 8.926 159 HD11 ILE 21 3HD1 ILE 21 -5.912 -8.370 5.974 160 HD12 ILE 21 1HD1 ILE 21 -7.265 -8.120 7.078 161 HD13 ILE 21 2HD1 ILE 21 -7.493 -9.055 5.600 162 H ARG 22 H ARG 22 -5.788 -13.617 7.516 163 HA ARG 22 HA ARG 22 -5.960 -15.035 5.637 164 HB2 ARG 22 1HB ARG 22 -8.519 -15.613 7.157 165 HB3 ARG 22 2HB ARG 22 -7.901 -16.620 5.847 166 HG2 ARG 22 1HG ARG 22 -5.799 -16.963 7.115 167 HG3 ARG 22 2HG ARG 22 -6.446 -15.984 8.431 168 HD2 ARG 22 1HD ARG 22 -8.330 -17.585 8.671 169 HD3 ARG 22 2HD ARG 22 -7.623 -18.583 7.402 170 HE ARG 22 HE ARG 22 -6.609 -18.301 10.158 171 HH11 ARG 22 1HH2 ARG 22 -6.074 -19.312 6.893 172 HH12 ARG 22 2HH2 ARG 22 -4.820 -20.429 7.312 173 HH21 ARG 22 1HH1 ARG 22 -4.971 -19.749 10.706 174 HH22 ARG 22 2HH1 ARG 22 -4.195 -20.676 9.465 175 H LYS 23 H LYS 23 -6.827 -12.378 5.035 176 HA LYS 23 HA LYS 23 -8.802 -12.999 2.891 177 HB2 LYS 23 1HB LYS 23 -9.767 -11.833 5.079 178 HB3 LYS 23 2HB LYS 23 -9.040 -10.389 4.381 179 HG2 LYS 23 1HG LYS 23 -11.167 -10.309 3.437 180 HG3 LYS 23 2HG LYS 23 -10.286 -11.172 2.183 181 HD2 LYS 23 1HD LYS 23 -11.045 -13.334 3.269 182 HD3 LYS 23 2HD LYS 23 -12.072 -12.364 4.322 183 HE2 LYS 23 1HE LYS 23 -12.188 -12.370 1.292 184 HE3 LYS 23 2HE LYS 23 -13.322 -13.200 2.356 185 HZ1 LYS 23 3HZ LYS 23 -13.062 -10.367 1.768 186 HZ2 LYS 23 1HZ LYS 23 -13.398 -10.758 3.384 187 HZ3 LYS 23 2HZ LYS 23 -14.444 -11.277 2.151 188 H TYR 24 H TYR 24 -8.795 -11.358 1.180 189 HA TYR 24 HA TYR 24 -6.063 -10.434 0.631 190 HB2 TYR 24 1HB TYR 24 -8.622 -10.475 -0.971 191 HB3 TYR 24 2HB TYR 24 -7.129 -9.755 -1.577 192 HD1 TYR 24 HD2 TYR 24 -8.770 -12.903 -0.540 193 HD2 TYR 24 HD1 TYR 24 -5.220 -11.115 -2.165 194 HE1 TYR 24 HE2 TYR 24 -7.938 -15.147 -1.194 195 HE2 TYR 24 HE1 TYR 24 -4.387 -13.356 -2.818 196 HH TYR 24 HH TYR 24 -6.368 -16.267 -2.320 197 H VAL 25 H VAL 25 -5.381 -8.362 0.853 198 HA VAL 25 HA VAL 25 -7.383 -6.178 0.905 199 HB VAL 25 HB VAL 25 -6.488 -5.240 2.976 200 HG11 VAL 25 1HG1 VAL 25 -8.322 -6.969 3.031 201 HG12 VAL 25 2HG1 VAL 25 -7.384 -6.869 4.521 202 HG13 VAL 25 3HG1 VAL 25 -7.091 -8.182 3.380 203 HG21 VAL 25 3HG2 VAL 25 -4.640 -7.637 2.829 204 HG22 VAL 25 1HG2 VAL 25 -4.904 -6.736 4.322 205 HG23 VAL 25 2HG2 VAL 25 -4.194 -5.933 2.921 206 HA PRO 26 HA PRO 26 -4.564 -3.913 -1.670 207 HB2 PRO 26 1HB PRO 26 -4.676 -1.847 0.510 208 HB3 PRO 26 2HB PRO 26 -4.833 -1.639 -1.246 209 HG2 PRO 26 1HG PRO 26 -6.968 -1.668 0.404 210 HG3 PRO 26 2HG PRO 26 -7.036 -2.267 -1.260 211 HD2 PRO 26 1HD PRO 26 -7.179 -3.805 1.251 212 HD3 PRO 26 2HD PRO 26 -7.602 -4.307 -0.399 213 H TYR 27 H TYR 27 -2.526 -4.764 -1.677 214 HA TYR 27 HA TYR 27 -0.741 -4.222 0.684 215 HB2 TYR 27 1HB TYR 27 -1.325 -6.644 0.324 216 HB3 TYR 27 2HB TYR 27 -0.576 -6.536 -1.268 217 HD1 TYR 27 HD2 TYR 27 1.852 -6.157 -1.500 218 HD2 TYR 27 HD1 TYR 27 0.001 -6.648 2.343 219 HE1 TYR 27 HE2 TYR 27 4.078 -6.547 -0.479 220 HE2 TYR 27 HE1 TYR 27 2.225 -7.040 3.365 221 HH TYR 27 HH TYR 27 4.576 -6.531 2.894 222 H ALA 28 H ALA 28 0.745 -2.696 0.115 223 HA ALA 28 HA ALA 28 2.058 -2.941 -2.564 224 HB1 ALA 28 3HB ALA 28 0.591 -0.524 -1.519 225 HB2 ALA 28 1HB ALA 28 0.520 -1.257 -3.120 226 HB3 ALA 28 2HB ALA 28 1.940 -0.336 -2.640 227 H LEU 29 H LEU 29 4.128 -1.798 -2.650 228 HA LEU 29 HA LEU 29 5.351 -1.469 0.081 229 HB2 LEU 29 1HB LEU 29 6.763 -2.168 -2.509 230 HB3 LEU 29 2HB LEU 29 7.435 -2.212 -0.881 231 HG LEU 29 HG LEU 29 5.159 -3.944 -1.887 232 HD11 LEU 29 1HD1 LEU 29 7.208 -4.700 -2.877 233 HD12 LEU 29 2HD1 LEU 29 6.883 -5.771 -1.514 234 HD13 LEU 29 3HD1 LEU 29 8.088 -4.493 -1.362 235 HD21 LEU 29 3HD2 LEU 29 6.495 -3.602 0.799 236 HD22 LEU 29 1HD2 LEU 29 5.775 -5.150 0.355 237 HD23 LEU 29 2HD2 LEU 29 4.775 -3.704 0.419 238 H ILE 30 H ILE 30 6.299 0.458 0.533 239 HA ILE 30 HA ILE 30 6.447 2.506 -1.653 240 HB ILE 30 HB ILE 30 6.038 2.817 1.332 241 HG12 ILE 30 1HG1 ILE 30 4.297 3.657 -1.005 242 HG13 ILE 30 2HG1 ILE 30 4.078 2.149 -0.118 243 HG21 ILE 30 1HG2 ILE 30 5.804 5.286 0.672 244 HG22 ILE 30 2HG2 ILE 30 6.599 4.848 -0.839 245 HG23 ILE 30 3HG2 ILE 30 7.442 4.634 0.695 246 HD11 ILE 30 3HD1 ILE 30 2.661 4.189 0.616 247 HD12 ILE 30 1HD1 ILE 30 4.154 4.803 1.322 248 HD13 ILE 30 2HD1 ILE 30 3.485 3.272 1.876 249 H ARG 31 H ARG 31 8.400 3.375 -2.104 250 HA ARG 31 HA ARG 31 10.669 2.882 -0.193 251 HB2 ARG 31 1HB ARG 31 10.669 2.652 -3.220 252 HB3 ARG 31 2HB ARG 31 12.124 2.623 -2.220 253 HG2 ARG 31 1HG ARG 31 11.294 0.651 -1.024 254 HG3 ARG 31 2HG ARG 31 9.799 0.692 -1.956 255 HD2 ARG 31 1HD ARG 31 11.295 -0.964 -2.933 256 HD3 ARG 31 2HD ARG 31 11.145 0.398 -4.043 257 HE ARG 31 HE ARG 31 13.388 0.831 -2.317 258 HH11 ARG 31 1HH2 ARG 31 12.253 -1.145 -4.906 259 HH12 ARG 31 2HH2 ARG 31 13.832 -1.414 -5.566 260 HH21 ARG 31 1HH1 ARG 31 15.450 0.491 -3.164 261 HH22 ARG 31 2HH1 ARG 31 15.642 -0.488 -4.580 262 H LYS 32 H LYS 32 11.755 4.701 0.323 263 HA LYS 32 HA LYS 32 10.915 7.244 -0.866 264 HB2 LYS 32 1HB LYS 32 11.295 6.980 1.582 265 HB3 LYS 32 2HB LYS 32 13.007 6.705 1.259 266 HG2 LYS 32 1HG LYS 32 13.212 8.921 0.254 267 HG3 LYS 32 2HG LYS 32 11.481 9.198 0.455 268 HD2 LYS 32 1HD LYS 32 11.732 8.998 2.903 269 HD3 LYS 32 2HD LYS 32 13.463 8.734 2.703 270 HE2 LYS 32 1HE LYS 32 13.079 11.076 3.253 271 HE3 LYS 32 2HE LYS 32 13.628 10.963 1.582 272 HZ1 LYS 32 3HZ LYS 32 10.923 11.515 2.609 273 HZ2 LYS 32 1HZ LYS 32 11.125 10.857 1.060 274 HZ3 LYS 32 2HZ LYS 32 11.818 12.361 1.439 275 H VAL 33 H VAL 33 12.101 8.522 -2.202 276 HA VAL 33 HA VAL 33 14.170 7.375 -3.809 277 HB VAL 33 HB VAL 33 13.340 10.266 -3.427 278 HG11 VAL 33 1HG1 VAL 33 14.414 10.495 -5.733 279 HG12 VAL 33 2HG1 VAL 33 15.166 8.928 -5.435 280 HG13 VAL 33 3HG1 VAL 33 15.532 10.296 -4.384 281 HG21 VAL 33 3HG2 VAL 33 11.964 9.934 -5.361 282 HG22 VAL 33 1HG2 VAL 33 11.640 8.570 -4.291 283 HG23 VAL 33 2HG2 VAL 33 12.693 8.362 -5.690 284 H GLY 34 H GLY 34 14.276 9.699 -1.116 285 HA2 GLY 34 1HA GLY 34 17.080 10.223 -1.252 286 HA3 GLY 34 2HA GLY 34 16.080 10.447 0.182 287 H VAL 35 H VAL 35 15.260 7.655 0.415 288 HA VAL 35 HA VAL 35 17.795 6.151 0.711 289 HB VAL 35 HB VAL 35 17.108 5.647 3.158 290 HG11 VAL 35 1HG1 VAL 35 18.051 8.453 2.507 291 HG12 VAL 35 2HG1 VAL 35 19.081 7.022 2.448 292 HG13 VAL 35 3HG1 VAL 35 18.381 7.542 3.980 293 HG21 VAL 35 3HG2 VAL 35 15.759 8.341 2.904 294 HG22 VAL 35 1HG2 VAL 35 15.718 7.225 4.269 295 HG23 VAL 35 2HG2 VAL 35 14.853 6.832 2.784 296 HA PRO 36 HA PRO 36 14.041 3.574 -0.206 297 HB2 PRO 36 1HB PRO 36 14.907 2.490 -2.562 298 HB3 PRO 36 2HB PRO 36 14.072 4.053 -2.472 299 HG2 PRO 36 1HG PRO 36 16.967 3.475 -2.834 300 HG3 PRO 36 2HG PRO 36 15.989 4.801 -3.485 301 HD2 PRO 36 1HD PRO 36 17.702 5.004 -1.275 302 HD3 PRO 36 2HD PRO 36 16.393 6.139 -1.653 303 H ASP 37 H ASP 37 17.348 3.096 0.326 304 HA ASP 37 HA ASP 37 17.402 0.187 0.163 305 HB2 ASP 37 1HB ASP 37 19.233 2.216 1.474 306 HB3 ASP 37 2HB ASP 37 19.553 0.482 1.470 307 H ARG 38 H ARG 38 15.952 2.344 2.278 308 HA ARG 38 HA ARG 38 16.416 0.867 4.748 309 HB2 ARG 38 1HB ARG 38 14.404 3.021 4.039 310 HB3 ARG 38 2HB ARG 38 14.643 2.383 5.664 311 HG2 ARG 38 1HG ARG 38 16.960 3.510 4.087 312 HG3 ARG 38 2HG ARG 38 15.896 4.570 5.010 313 HD2 ARG 38 1HD ARG 38 16.361 3.179 7.044 314 HD3 ARG 38 2HD ARG 38 17.522 2.253 6.099 315 HE ARG 38 HE ARG 38 17.954 5.166 6.157 316 HH11 ARG 38 1HH2 ARG 38 18.689 2.018 7.396 317 HH12 ARG 38 2HH2 ARG 38 20.217 2.496 8.052 318 HH21 ARG 38 1HH1 ARG 38 19.946 5.789 7.015 319 HH22 ARG 38 2HH1 ARG 38 20.926 4.622 7.840 320 H THR 39 H THR 39 14.965 -0.478 5.817 321 HA THR 39 HA THR 39 13.614 -2.409 4.419 322 HB THR 39 HB THR 39 12.636 -1.350 7.076 323 HG1 THR 39 HG1 THR 39 14.355 -2.217 7.967 324 HG21 THR 39 3HG2 THR 39 11.281 -3.118 5.977 325 HG22 THR 39 1HG2 THR 39 12.039 -3.689 7.464 326 HG23 THR 39 2HG2 THR 39 12.717 -4.139 5.899 327 HA PRO 40 HA PRO 40 10.096 -0.074 2.817 328 HB2 PRO 40 1HB PRO 40 8.719 -2.105 1.633 329 HB3 PRO 40 2HB PRO 40 10.222 -1.452 0.949 330 HG2 PRO 40 1HG PRO 40 9.801 -3.930 2.565 331 HG3 PRO 40 2HG PRO 40 10.821 -3.676 1.136 332 HD2 PRO 40 1HD PRO 40 11.810 -3.687 3.705 333 HD3 PRO 40 2HD PRO 40 12.565 -2.781 2.371 334 H ILE 41 H ILE 41 7.881 0.262 3.357 335 HA ILE 41 HA ILE 41 6.868 -1.357 5.673 336 HB ILE 41 HB ILE 41 6.263 1.527 4.981 337 HG12 ILE 41 1HG1 ILE 41 8.569 1.359 5.719 338 HG13 ILE 41 2HG1 ILE 41 7.617 1.999 7.053 339 HG21 ILE 41 1HG2 ILE 41 4.436 0.408 6.167 340 HG22 ILE 41 2HG2 ILE 41 5.244 1.536 7.250 341 HG23 ILE 41 3HG2 ILE 41 5.564 -0.191 7.381 342 HD11 ILE 41 3HD1 ILE 41 8.901 0.362 8.123 343 HD12 ILE 41 1HD1 ILE 41 8.835 -0.730 6.744 344 HD13 ILE 41 2HD1 ILE 41 7.419 -0.520 7.774 345 HA PRO 42 HA PRO 42 4.012 -2.494 2.261 346 HB2 PRO 42 1HB PRO 42 2.863 -4.000 4.588 347 HB3 PRO 42 2HB PRO 42 3.160 -4.552 2.927 348 HG2 PRO 42 1HG PRO 42 4.776 -5.269 4.907 349 HG3 PRO 42 2HG PRO 42 5.422 -4.872 3.302 350 HD2 PRO 42 1HD PRO 42 5.503 -3.248 5.815 351 HD3 PRO 42 2HD PRO 42 6.689 -3.346 4.491 352 H THR 43 H THR 43 2.116 -1.487 1.717 353 HA THR 43 HA THR 43 0.772 0.173 3.784 354 HB THR 43 HB THR 43 -0.016 1.502 2.035 355 HG1 THR 43 HG1 THR 43 -1.106 0.296 0.690 356 HG21 THR 43 3HG2 THR 43 1.831 2.012 0.700 357 HG22 THR 43 1HG2 THR 43 2.276 0.320 0.496 358 HG23 THR 43 2HG2 THR 43 2.591 1.133 2.027 359 H THR 44 H THR 44 -1.237 -0.267 4.500 360 HA THR 44 HA THR 44 -2.903 -2.314 3.111 361 HB THR 44 HB THR 44 -3.387 -3.413 5.226 362 HG1 THR 44 HG1 THR 44 -2.837 -1.230 6.298 363 HG21 THR 44 3HG2 THR 44 -1.177 -3.868 3.877 364 HG22 THR 44 1HG2 THR 44 -1.376 -4.569 5.480 365 HG23 THR 44 2HG2 THR 44 -0.396 -3.122 5.272 366 H TYR 45 H TYR 45 -5.193 -2.248 4.009 367 HA TYR 45 HA TYR 45 -5.906 0.288 5.336 368 HB2 TYR 45 1HB TYR 45 -5.854 0.357 2.635 369 HB3 TYR 45 2HB TYR 45 -7.469 -0.311 2.840 370 HD1 TYR 45 HD2 TYR 45 -5.265 2.415 4.155 371 HD2 TYR 45 HD1 TYR 45 -9.265 1.159 3.235 372 HE1 TYR 45 HE2 TYR 45 -6.105 4.668 4.747 373 HE2 TYR 45 HE1 TYR 45 -10.110 3.411 3.836 374 HH TYR 45 HH TYR 45 -9.508 5.538 4.298 375 HA PRO 46 HA PRO 46 -8.794 -2.566 7.184 376 HB2 PRO 46 1HB PRO 46 -10.736 -0.802 8.076 377 HB3 PRO 46 2HB PRO 46 -9.188 -1.075 8.898 378 HG2 PRO 46 1HG PRO 46 -9.983 1.129 7.048 379 HG3 PRO 46 2HG PRO 46 -9.016 1.197 8.534 380 HD2 PRO 46 1HD PRO 46 -7.876 1.267 6.081 381 HD3 PRO 46 2HD PRO 46 -7.069 0.498 7.461 382 H GLU 47 H GLU 47 -9.422 -3.531 5.130 383 HA GLU 47 HA GLU 47 -12.221 -3.415 4.594 384 HB2 GLU 47 1HB GLU 47 -11.973 -2.554 2.181 385 HB3 GLU 47 2HB GLU 47 -11.931 -1.346 3.465 386 HG2 GLU 47 1HG GLU 47 -9.457 -1.391 3.414 387 HG3 GLU 47 2HG GLU 47 -9.512 -2.570 2.104 388 H PHE 48 H PHE 48 -12.720 -4.768 2.554 389 HA PHE 48 HA PHE 48 -10.518 -6.746 2.024 390 HB2 PHE 48 1HB PHE 48 -13.448 -7.400 2.449 391 HB3 PHE 48 2HB PHE 48 -12.137 -8.550 2.185 392 HD1 PHE 48 HD1 PHE 48 -10.079 -8.273 3.856 393 HD2 PHE 48 HD2 PHE 48 -14.094 -6.976 4.658 394 HE1 PHE 48 HE1 PHE 48 -9.609 -8.319 6.289 395 HE2 PHE 48 HE2 PHE 48 -13.623 -7.024 7.091 396 HZ PHE 48 HZ PHE 48 -11.380 -7.697 7.906 397 H TYR 49 H TYR 49 -10.518 -7.610 -0.084 398 HA TYR 49 HA TYR 49 -12.686 -6.733 -1.935 399 HB2 TYR 49 1HB TYR 49 -9.766 -6.007 -2.147 400 HB3 TYR 49 2HB TYR 49 -10.732 -6.198 -3.610 401 HD1 TYR 49 HD2 TYR 49 -13.075 -4.982 -3.589 402 HD2 TYR 49 HD1 TYR 49 -9.766 -3.917 -1.078 403 HE1 TYR 49 HE2 TYR 49 -14.048 -2.725 -3.266 404 HE2 TYR 49 HE1 TYR 49 -10.732 -1.659 -0.755 405 HH TYR 49 HH TYR 49 -12.322 -0.231 -1.408 406 H ASP 50 H ASP 50 -13.334 -8.418 -3.052 407 HA ASP 50 HA ASP 50 -11.923 -10.943 -3.016 408 HB2 ASP 50 1HB ASP 50 -14.452 -10.598 -3.145 409 HB3 ASP 50 2HB ASP 50 -14.212 -10.179 -4.842 410 H LEU 51 H LEU 51 -12.254 -8.301 -5.321 411 HA LEU 51 HA LEU 51 -10.857 -9.811 -7.439 412 HB2 LEU 51 1HB LEU 51 -11.753 -6.916 -7.376 413 HB3 LEU 51 2HB LEU 51 -11.243 -7.822 -8.801 414 HG LEU 51 HG LEU 51 -13.640 -8.495 -7.064 415 HD11 LEU 51 1HD1 LEU 51 -14.908 -7.815 -9.134 416 HD12 LEU 51 2HD1 LEU 51 -13.392 -7.202 -9.794 417 HD13 LEU 51 3HD1 LEU 51 -14.073 -6.483 -8.335 418 HD21 LEU 51 3HD2 LEU 51 -12.970 -10.549 -7.996 419 HD22 LEU 51 1HD2 LEU 51 -12.361 -9.797 -9.470 420 HD23 LEU 51 2HD2 LEU 51 -14.098 -9.951 -9.208 421 H GLU 52 H GLU 52 -8.744 -9.644 -7.893 422 HA GLU 52 HA GLU 52 -6.940 -8.299 -6.087 423 HB2 GLU 52 1HB GLU 52 -5.186 -9.114 -7.580 424 HB3 GLU 52 2HB GLU 52 -6.383 -10.388 -7.347 425 HG2 GLU 52 1HG GLU 52 -7.490 -9.646 -9.483 426 HG3 GLU 52 2HG GLU 52 -6.144 -8.536 -9.739 427 H ALA 53 H ALA 53 -8.235 -7.570 -9.289 428 HA ALA 53 HA ALA 53 -6.530 -5.379 -9.935 429 HB1 ALA 53 3HB ALA 53 -9.452 -5.706 -10.679 430 HB2 ALA 53 1HB ALA 53 -8.124 -6.507 -11.517 431 HB3 ALA 53 2HB ALA 53 -8.248 -4.747 -11.539 432 H ASP 54 H ASP 54 -9.554 -5.539 -8.093 433 HA ASP 54 HA ASP 54 -9.905 -2.719 -7.756 434 HB2 ASP 54 1HB ASP 54 -11.612 -4.517 -7.241 435 HB3 ASP 54 2HB ASP 54 -10.684 -4.891 -5.788 436 H ALA 55 H ALA 55 -8.079 -5.141 -5.949 437 HA ALA 55 HA ALA 55 -7.333 -3.464 -3.751 438 HB1 ALA 55 3HB ALA 55 -5.746 -5.755 -4.942 439 HB2 ALA 55 1HB ALA 55 -7.105 -5.972 -3.843 440 HB3 ALA 55 2HB ALA 55 -5.649 -5.149 -3.292 441 H GLU 56 H GLU 56 -5.911 -3.998 -6.949 442 HA GLU 56 HA GLU 56 -3.453 -2.614 -6.504 443 HB2 GLU 56 1HB GLU 56 -5.100 -2.979 -9.023 444 HB3 GLU 56 2HB GLU 56 -3.463 -2.323 -9.003 445 HG2 GLU 56 1HG GLU 56 -2.609 -4.388 -8.019 446 HG3 GLU 56 2HG GLU 56 -4.243 -5.045 -7.921 447 H ARG 57 H ARG 57 -6.552 -1.440 -7.857 448 HA ARG 57 HA ARG 57 -5.702 1.285 -8.153 449 HB2 ARG 57 1HB ARG 57 -8.445 0.033 -7.821 450 HB3 ARG 57 2HB ARG 57 -8.204 1.752 -8.134 451 HG2 ARG 57 1HG ARG 57 -7.012 1.235 -10.212 452 HG3 ARG 57 2HG ARG 57 -7.177 -0.492 -9.893 453 HD2 ARG 57 1HD ARG 57 -9.629 -0.289 -9.990 454 HD3 ARG 57 2HD ARG 57 -9.479 1.444 -10.284 455 HE ARG 57 HE ARG 57 -7.960 0.156 -12.281 456 HH11 ARG 57 1HH2 ARG 57 -11.217 0.335 -11.151 457 HH12 ARG 57 2HH2 ARG 57 -11.912 0.043 -12.711 458 HH21 ARG 57 1HH1 ARG 57 -8.853 -0.226 -14.319 459 HH22 ARG 57 2HH1 ARG 57 -10.574 -0.273 -14.502 460 H VAL 58 H VAL 58 -7.374 -0.425 -5.532 461 HA VAL 58 HA VAL 58 -7.743 1.856 -3.836 462 HB VAL 58 HB VAL 58 -7.519 -1.098 -3.203 463 HG11 VAL 58 1HG1 VAL 58 -8.717 -0.380 -1.070 464 HG12 VAL 58 2HG1 VAL 58 -8.263 1.274 -1.475 465 HG13 VAL 58 3HG1 VAL 58 -7.014 0.068 -1.166 466 HG21 VAL 58 3HG2 VAL 58 -9.981 0.658 -3.214 467 HG22 VAL 58 1HG2 VAL 58 -9.896 -1.104 -3.251 468 HG23 VAL 58 2HG2 VAL 58 -9.425 -0.169 -4.669 469 H SER 59 H SER 59 -5.156 -0.568 -4.051 470 HA SER 59 HA SER 59 -3.629 0.256 -1.825 471 HB2 SER 59 1HB SER 59 -1.737 -0.805 -2.941 472 HB3 SER 59 2HB SER 59 -3.180 -1.782 -3.179 473 HG SER 59 HG SER 59 -1.697 -0.287 -4.989 474 H ILE 60 H ILE 60 -3.684 1.535 -5.140 475 HA ILE 60 HA ILE 60 -1.489 3.348 -4.810 476 HB ILE 60 HB ILE 60 -3.928 3.459 -6.608 477 HG12 ILE 60 1HG1 ILE 60 -1.046 2.804 -7.256 478 HG13 ILE 60 2HG1 ILE 60 -2.240 1.571 -6.848 479 HG21 ILE 60 1HG2 ILE 60 -3.157 5.709 -6.473 480 HG22 ILE 60 2HG2 ILE 60 -2.415 5.058 -7.934 481 HG23 ILE 60 3HG2 ILE 60 -1.466 5.209 -6.455 482 HD11 ILE 60 3HD1 ILE 60 -2.552 3.577 -9.099 483 HD12 ILE 60 1HD1 ILE 60 -3.634 2.234 -8.729 484 HD13 ILE 60 2HD1 ILE 60 -2.001 1.915 -9.313 485 H ALA 61 H ALA 61 -5.002 3.763 -4.357 486 HA ALA 61 HA ALA 61 -4.815 6.523 -3.539 487 HB1 ALA 61 3HB ALA 61 -6.977 4.547 -2.765 488 HB2 ALA 61 1HB ALA 61 -6.912 5.335 -4.341 489 HB3 ALA 61 2HB ALA 61 -7.121 6.301 -2.879 490 H CYS 62 H CYS 62 -4.803 3.445 -1.795 491 HA CYS 62 HA CYS 62 -4.892 4.563 0.851 492 HB2 CYS 62 1HB CYS 62 -5.387 2.229 0.591 493 HB3 CYS 62 2HB CYS 62 -3.862 1.938 -0.243 494 HG CYS 62 HG CYS 62 -2.734 2.687 2.158 495 H ALA 63 H ALA 63 -2.185 3.521 -1.220 496 HA ALA 63 HA ALA 63 -0.068 4.017 0.568 497 HB1 ALA 63 3HB ALA 63 0.248 2.935 -1.621 498 HB2 ALA 63 1HB ALA 63 1.326 4.324 -1.463 499 HB3 ALA 63 2HB ALA 63 -0.139 4.451 -2.435 500 H LYS 64 H LYS 64 -1.662 6.270 -1.691 501 HA LYS 64 HA LYS 64 -0.030 8.535 -1.058 502 HB2 LYS 64 1HB LYS 64 -2.896 8.354 -2.034 503 HB3 LYS 64 2HB LYS 64 -1.977 9.857 -1.947 504 HG2 LYS 64 1HG LYS 64 -0.289 8.936 -3.472 505 HG3 LYS 64 2HG LYS 64 -1.166 7.407 -3.538 506 HD2 LYS 64 1HD LYS 64 -3.123 8.561 -4.493 507 HD3 LYS 64 2HD LYS 64 -2.256 10.095 -4.421 508 HE2 LYS 64 1HE LYS 64 -0.544 9.214 -5.954 509 HE3 LYS 64 2HE LYS 64 -1.386 7.665 -6.014 510 HZ1 LYS 64 3HZ LYS 64 -2.449 10.287 -6.914 511 HZ2 LYS 64 1HZ LYS 64 -3.339 8.844 -6.884 512 HZ3 LYS 64 2HZ LYS 64 -1.991 8.987 -7.908 513 H ILE 65 H ILE 65 -3.118 7.385 0.286 514 HA ILE 65 HA ILE 65 -3.484 9.542 2.130 515 HB ILE 65 HB ILE 65 -4.455 6.672 2.168 516 HG12 ILE 65 1HG1 ILE 65 -5.954 9.235 1.572 517 HG13 ILE 65 2HG1 ILE 65 -5.176 8.270 0.317 518 HG21 ILE 65 1HG2 ILE 65 -5.087 9.017 3.973 519 HG22 ILE 65 2HG2 ILE 65 -4.577 7.394 4.439 520 HG23 ILE 65 3HG2 ILE 65 -6.191 7.654 3.779 521 HD11 ILE 65 3HD1 ILE 65 -7.184 7.123 2.270 522 HD12 ILE 65 1HD1 ILE 65 -6.559 6.369 0.803 523 HD13 ILE 65 2HD1 ILE 65 -7.635 7.762 0.689 524 H ILE 66 H ILE 66 -1.942 6.347 2.522 525 HA ILE 66 HA ILE 66 -1.329 6.671 5.302 526 HB ILE 66 HB ILE 66 0.009 5.027 3.134 527 HG12 ILE 66 1HG1 ILE 66 -2.331 4.418 3.596 528 HG13 ILE 66 2HG1 ILE 66 -1.245 3.157 4.162 529 HG21 ILE 66 1HG2 ILE 66 0.917 3.707 5.106 530 HG22 ILE 66 2HG2 ILE 66 0.444 5.065 6.128 531 HG23 ILE 66 3HG2 ILE 66 1.647 5.293 4.858 532 HD11 ILE 66 3HD1 ILE 66 -1.429 4.602 6.441 533 HD12 ILE 66 1HD1 ILE 66 -2.579 3.333 6.031 534 HD13 ILE 66 2HD1 ILE 66 -2.976 5.019 5.719 535 H ILE 67 H ILE 67 0.564 7.391 2.360 536 HA ILE 67 HA ILE 67 2.899 8.306 3.750 537 HB ILE 67 HB ILE 67 1.804 8.985 1.005 538 HG12 ILE 67 1HG1 ILE 67 4.150 7.235 1.780 539 HG13 ILE 67 2HG1 ILE 67 2.519 6.599 1.574 540 HG21 ILE 67 1HG2 ILE 67 4.250 9.671 0.609 541 HG22 ILE 67 2HG2 ILE 67 4.402 9.724 2.365 542 HG23 ILE 67 3HG2 ILE 67 3.260 10.790 1.547 543 HD11 ILE 67 3HD1 ILE 67 3.990 6.445 -0.486 544 HD12 ILE 67 1HD1 ILE 67 3.943 8.206 -0.558 545 HD13 ILE 67 2HD1 ILE 67 2.455 7.277 -0.729 546 H ASP 68 H ASP 68 0.066 10.056 2.474 547 HA ASP 68 HA ASP 68 0.944 12.657 3.329 548 HB2 ASP 68 1HB ASP 68 -1.797 11.520 2.717 549 HB3 ASP 68 2HB ASP 68 -1.534 13.216 3.128 550 H SER 69 H SER 69 -1.229 10.261 4.806 551 HA SER 69 HA SER 69 -1.840 11.775 7.150 552 HB2 SER 69 1HB SER 69 -1.708 8.760 6.887 553 HB3 SER 69 2HB SER 69 -2.621 9.671 8.087 554 HG SER 69 HG SER 69 -3.351 8.960 5.631 555 H HIS 70 H HIS 70 0.784 9.529 6.401 556 HA HIS 70 HA HIS 70 1.872 9.278 9.013 557 HB2 HIS 70 1HB HIS 70 2.576 7.901 7.076 558 HB3 HIS 70 2HB HIS 70 3.332 9.320 6.353 559 HD1 HIS 70 HD1 HIS 70 3.606 7.108 9.425 560 HD2 HIS 70 HD2 HIS 70 5.894 9.872 7.303 561 HE1 HIS 70 HE1 HIS 70 5.930 7.036 10.430 562 H LEU 71 H LEU 71 2.646 11.622 6.434 563 HA LEU 71 HA LEU 71 4.597 13.075 7.944 564 HB2 LEU 71 1HB LEU 71 2.804 13.910 5.649 565 HB3 LEU 71 2HB LEU 71 4.102 14.915 6.284 566 HG LEU 71 HG LEU 71 4.509 12.086 5.273 567 HD11 LEU 71 1HD1 LEU 71 4.857 14.746 3.865 568 HD12 LEU 71 2HD1 LEU 71 3.758 13.443 3.413 569 HD13 LEU 71 3HD1 LEU 71 5.501 13.219 3.264 570 HD21 LEU 71 3HD2 LEU 71 6.384 12.537 6.586 571 HD22 LEU 71 1HD2 LEU 71 6.311 14.273 6.298 572 HD23 LEU 71 2HD2 LEU 71 6.924 13.196 5.047 573 H ASP 72 H ASP 72 1.097 13.543 7.525 574 HA ASP 72 HA ASP 72 1.085 15.871 9.311 575 HB2 ASP 72 1HB ASP 72 -1.107 14.289 7.950 576 HB3 ASP 72 2HB ASP 72 -1.429 15.655 9.018 577 H ARG 73 H ARG 73 -0.792 12.831 9.458 578 HA ARG 73 HA ARG 73 -0.990 13.086 12.376 579 HB2 ARG 73 1HB ARG 73 -2.011 10.991 10.442 580 HB3 ARG 73 2HB ARG 73 -2.351 10.994 12.174 581 HG2 ARG 73 1HG ARG 73 -3.433 13.178 11.993 582 HG3 ARG 73 2HG ARG 73 -3.023 13.265 10.280 583 HD2 ARG 73 1HD ARG 73 -5.343 12.535 10.523 584 HD3 ARG 73 2HD ARG 73 -4.372 11.211 9.883 585 HE ARG 73 HE ARG 73 -4.654 10.043 11.939 586 HH11 ARG 73 1HH2 ARG 73 -5.802 13.301 12.070 587 HH12 ARG 73 2HH2 ARG 73 -6.633 13.081 13.572 588 HH21 ARG 73 1HH1 ARG 73 -5.733 9.752 13.899 589 HH22 ARG 73 2HH1 ARG 73 -6.593 11.078 14.607 590 H HIS 74 H HIS 74 -0.008 11.755 13.880 591 HA HIS 74 HA HIS 74 2.402 10.326 12.970 592 HB2 HIS 74 1HB HIS 74 2.447 11.788 14.990 593 HB3 HIS 74 2HB HIS 74 1.293 10.707 15.770 594 HD1 HIS 74 HD1 HIS 74 4.711 10.433 14.083 595 HD2 HIS 74 HD2 HIS 74 2.537 8.695 17.186 596 HE1 HIS 74 HE1 HIS 74 6.260 8.767 15.196 597 H ASP 75 H ASP 75 0.758 8.811 11.815 598 HA ASP 75 HA ASP 75 -0.609 6.855 13.508 599 HB2 ASP 75 1HB ASP 75 -1.351 7.563 11.178 600 HB3 ASP 75 2HB ASP 75 0.018 6.647 10.550 601 H GLN 76 H GLN 76 2.569 7.384 12.745 602 HA GLN 76 HA GLN 76 4.500 6.074 12.815 603 HB2 GLN 76 1HB GLN 76 3.316 5.559 15.066 604 HB3 GLN 76 2HB GLN 76 2.878 4.020 14.325 605 HG2 GLN 76 1HG GLN 76 5.724 5.061 14.502 606 HG3 GLN 76 2HG GLN 76 5.015 3.927 15.651 607 HE21 GLN 76 2HE2 GLN 76 6.981 3.938 13.006 608 HE22 GLN 76 1HE2 GLN 76 6.591 2.425 12.341 609 H GLY 77 H GLY 77 4.664 5.518 10.633 610 HA2 GLY 77 1HA GLY 77 4.130 2.682 10.028 611 HA3 GLY 77 2HA GLY 77 3.307 3.852 8.992 612 H LEU 78 H LEU 78 4.896 5.668 8.202 613 HA LEU 78 HA LEU 78 7.190 4.271 6.951 614 HB2 LEU 78 1HB LEU 78 6.260 7.108 6.479 615 HB3 LEU 78 2HB LEU 78 7.258 6.112 5.421 616 HG LEU 78 HG LEU 78 4.354 5.620 6.138 617 HD11 LEU 78 1HD1 LEU 78 3.870 6.177 3.872 618 HD12 LEU 78 2HD1 LEU 78 5.575 6.142 3.424 619 HD13 LEU 78 3HD1 LEU 78 4.960 7.440 4.446 620 HD21 LEU 78 3HD2 LEU 78 6.403 3.970 4.653 621 HD22 LEU 78 1HD2 LEU 78 4.683 3.810 4.294 622 HD23 LEU 78 2HD2 LEU 78 5.280 3.459 5.913 623 H ALA 79 H ALA 79 7.210 4.988 9.804 624 HA ALA 79 HA ALA 79 8.850 7.290 10.272 625 HB1 ALA 79 3HB ALA 79 7.578 6.061 12.047 626 HB2 ALA 79 1HB ALA 79 9.276 6.299 12.464 627 HB3 ALA 79 2HB ALA 79 8.721 4.727 11.892 628 H ASP 80 H ASP 80 9.583 3.934 9.476 629 HA ASP 80 HA ASP 80 12.408 4.040 9.936 630 HB2 ASP 80 1HB ASP 80 12.480 2.063 8.427 631 HB3 ASP 80 2HB ASP 80 11.207 1.918 9.637 632 H LEU 81 H LEU 81 10.389 5.003 7.218 633 HA LEU 81 HA LEU 81 12.688 5.435 5.442 634 HB2 LEU 81 1HB LEU 81 9.799 6.309 5.129 635 HB3 LEU 81 2HB LEU 81 11.020 6.262 3.858 636 HG LEU 81 HG LEU 81 10.016 3.860 5.411 637 HD11 LEU 81 1HD1 LEU 81 9.578 4.550 2.498 638 HD12 LEU 81 2HD1 LEU 81 8.408 4.922 3.764 639 HD13 LEU 81 3HD1 LEU 81 8.829 3.245 3.417 640 HD21 LEU 81 3HD2 LEU 81 11.264 2.723 3.385 641 HD22 LEU 81 1HD2 LEU 81 12.194 3.274 4.776 642 HD23 LEU 81 2HD2 LEU 81 12.141 4.251 3.308 643 H GLY 82 H GLY 82 11.452 7.087 8.050 644 HA2 GLY 82 1HA GLY 82 13.090 9.297 7.966 645 HA3 GLY 82 2HA GLY 82 11.698 9.806 7.010 Start of MODEL 2 1 H1 MET 1 1H MET 1 4.583 -3.208 -10.967 2 H2 MET 1 2H MET 1 5.132 -4.797 -10.723 3 H3 MET 1 3H MET 1 3.875 -4.489 -11.823 4 HA MET 1 HA MET 1 6.650 -4.520 -12.295 5 HB2 MET 1 1HB MET 1 4.854 -5.454 -13.749 6 HB3 MET 1 2HB MET 1 4.300 -3.814 -14.084 7 HG2 MET 1 1HG MET 1 6.476 -3.259 -15.082 8 HG3 MET 1 2HG MET 1 7.073 -4.876 -14.710 9 HE1 MET 1 3HE MET 1 7.718 -5.339 -17.289 10 HE2 MET 1 1HE MET 1 7.303 -3.625 -17.413 11 HE3 MET 1 2HE MET 1 6.675 -4.773 -18.591 12 H ASN 2 H ASN 2 4.330 -2.021 -13.362 13 HA ASN 2 HA ASN 2 6.530 -0.062 -13.480 14 HB2 ASN 2 1HB ASN 2 4.827 -0.229 -15.290 15 HB3 ASN 2 2HB ASN 2 3.590 0.268 -14.134 16 HD21 ASN 2 2HD2 ASN 2 4.293 1.812 -16.497 17 HD22 ASN 2 1HD2 ASN 2 4.947 3.286 -15.968 18 H VAL 3 H VAL 3 7.059 0.888 -11.574 19 HA VAL 3 HA VAL 3 5.056 1.250 -9.456 20 HB VAL 3 HB VAL 3 6.936 2.085 -8.132 21 HG11 VAL 3 1HG1 VAL 3 7.807 -0.288 -9.803 22 HG12 VAL 3 2HG1 VAL 3 6.613 -0.381 -8.509 23 HG13 VAL 3 3HG1 VAL 3 8.279 0.069 -8.142 24 HG21 VAL 3 3HG2 VAL 3 8.179 3.394 -9.692 25 HG22 VAL 3 1HG2 VAL 3 8.334 2.043 -10.816 26 HG23 VAL 3 2HG2 VAL 3 9.232 2.036 -9.298 27 H ALA 4 H ALA 4 4.430 3.300 -8.606 28 HA ALA 4 HA ALA 4 4.772 5.589 -10.517 29 HB1 ALA 4 3HB ALA 4 2.443 4.590 -10.133 30 HB2 ALA 4 1HB ALA 4 2.601 6.330 -9.900 31 HB3 ALA 4 2HB ALA 4 2.545 5.256 -8.502 32 H HIS 5 H HIS 5 5.456 7.537 -9.699 33 HA HIS 5 HA HIS 5 6.676 7.499 -7.028 34 HB2 HIS 5 1HB HIS 5 6.598 9.588 -9.218 35 HB3 HIS 5 2HB HIS 5 7.508 9.755 -7.715 36 HD1 HIS 5 HD1 HIS 5 9.273 9.784 -10.074 37 HD2 HIS 5 HD2 HIS 5 8.002 6.178 -8.415 38 HE1 HIS 5 HE1 HIS 5 10.935 8.025 -10.821 39 H TYR 6 H TYR 6 6.218 9.094 -5.391 40 HA TYR 6 HA TYR 6 3.836 10.786 -5.724 41 HB2 TYR 6 1HB TYR 6 3.100 8.410 -4.993 42 HB3 TYR 6 2HB TYR 6 3.845 8.799 -3.442 43 HD1 TYR 6 HD2 TYR 6 1.531 10.303 -5.974 44 HD2 TYR 6 HD1 TYR 6 2.514 9.856 -1.817 45 HE1 TYR 6 HE2 TYR 6 -0.486 11.602 -5.359 46 HE2 TYR 6 HE1 TYR 6 0.494 11.157 -1.203 47 HH TYR 6 HH TYR 6 -1.247 12.308 -1.949 48 H ARG 7 H ARG 7 4.674 12.666 -5.004 49 HA ARG 7 HA ARG 7 5.941 14.179 -3.745 50 HB2 ARG 7 1HB ARG 7 4.749 12.374 -1.633 51 HB3 ARG 7 2HB ARG 7 5.680 13.817 -1.229 52 HG2 ARG 7 1HG ARG 7 4.137 15.190 -2.594 53 HG3 ARG 7 2HG ARG 7 3.191 13.747 -2.961 54 HD2 ARG 7 1HD ARG 7 2.686 13.435 -0.588 55 HD3 ARG 7 2HD ARG 7 3.705 14.808 -0.169 56 HE ARG 7 HE ARG 7 2.017 16.284 -0.985 57 HH11 ARG 7 1HH2 ARG 7 1.316 12.957 -1.599 58 HH12 ARG 7 2HH2 ARG 7 -0.335 13.255 -2.021 59 HH21 ARG 7 1HH1 ARG 7 -0.125 16.676 -1.538 60 HH22 ARG 7 2HH1 ARG 7 -1.150 15.357 -1.992 61 H GLY 8 H GLY 8 7.394 11.862 -4.799 62 HA2 GLY 8 1HA GLY 8 9.770 11.502 -4.671 63 HA3 GLY 8 2HA GLY 8 9.742 12.021 -2.985 64 H TYR 9 H TYR 9 7.261 10.226 -2.671 65 HA TYR 9 HA TYR 9 8.787 7.838 -1.897 66 HB2 TYR 9 1HB TYR 9 5.876 8.606 -1.560 67 HB3 TYR 9 2HB TYR 9 6.590 7.119 -0.931 68 HD1 TYR 9 HD2 TYR 9 6.715 10.828 -0.760 69 HD2 TYR 9 HD1 TYR 9 7.987 7.128 1.015 70 HE1 TYR 9 HE2 TYR 9 7.566 12.067 1.214 71 HE2 TYR 9 HE1 TYR 9 8.838 8.367 2.986 72 HH TYR 9 HH TYR 9 8.846 10.359 4.043 73 H GLU 10 H GLU 10 8.664 5.849 -2.881 74 HA GLU 10 HA GLU 10 7.298 5.744 -5.515 75 HB2 GLU 10 1HB GLU 10 9.336 3.960 -4.160 76 HB3 GLU 10 2HB GLU 10 8.617 3.598 -5.732 77 HG2 GLU 10 1HG GLU 10 9.461 5.706 -6.638 78 HG3 GLU 10 2HG GLU 10 10.112 6.148 -5.060 79 H ILE 11 H ILE 11 5.610 4.365 -5.942 80 HA ILE 11 HA ILE 11 4.614 2.656 -3.681 81 HB ILE 11 HB ILE 11 3.016 4.157 -5.780 82 HG12 ILE 11 1HG1 ILE 11 3.137 4.596 -2.784 83 HG13 ILE 11 2HG1 ILE 11 4.101 5.525 -3.932 84 HG21 ILE 11 1HG2 ILE 11 2.283 2.249 -3.552 85 HG22 ILE 11 2HG2 ILE 11 1.782 2.207 -5.240 86 HG23 ILE 11 3HG2 ILE 11 1.125 3.431 -4.161 87 HD11 ILE 11 3HD1 ILE 11 1.967 6.152 -5.108 88 HD12 ILE 11 1HD1 ILE 11 2.080 6.778 -3.463 89 HD13 ILE 11 2HD1 ILE 11 1.077 5.367 -3.803 90 H GLU 12 H GLU 12 4.381 0.536 -4.188 91 HA GLU 12 HA GLU 12 4.386 -0.263 -7.087 92 HB2 GLU 12 1HB GLU 12 5.452 -2.030 -4.898 93 HB3 GLU 12 2HB GLU 12 5.836 -2.030 -6.619 94 HG2 GLU 12 1HG GLU 12 6.849 0.277 -6.266 95 HG3 GLU 12 2HG GLU 12 6.695 -0.015 -4.533 96 HA PRO 13 HA PRO 13 0.348 -1.578 -5.184 97 HB2 PRO 13 1HB PRO 13 -0.288 -1.692 -8.112 98 HB3 PRO 13 2HB PRO 13 -1.223 -0.975 -6.784 99 HG2 PRO 13 1HG PRO 13 0.099 0.568 -8.482 100 HG3 PRO 13 2HG PRO 13 0.071 0.952 -6.748 101 HD2 PRO 13 1HD PRO 13 2.278 -0.308 -8.359 102 HD3 PRO 13 2HD PRO 13 2.379 0.910 -7.067 103 H GLY 14 H GLY 14 -0.485 -3.685 -4.992 104 HA2 GLY 14 1HA GLY 14 -0.329 -5.793 -6.817 105 HA3 GLY 14 2HA GLY 14 1.179 -5.862 -5.904 106 H HIS 15 H HIS 15 -2.229 -6.439 -5.809 107 HA HIS 15 HA HIS 15 -2.835 -6.550 -3.099 108 HB2 HIS 15 1HB HIS 15 -4.529 -8.181 -3.652 109 HB3 HIS 15 2HB HIS 15 -4.403 -7.046 -4.994 110 HD1 HIS 15 HD1 HIS 15 -2.080 -8.093 -6.589 111 HD2 HIS 15 HD2 HIS 15 -4.892 -10.640 -4.859 112 HE1 HIS 15 HE1 HIS 15 -1.981 -10.264 -7.893 113 H GLN 16 H GLN 16 -2.831 -8.297 -1.541 114 HA GLN 16 HA GLN 16 -1.130 -10.631 -2.063 115 HB2 GLN 16 1HB GLN 16 0.477 -8.799 -1.428 116 HB3 GLN 16 2HB GLN 16 -0.356 -8.683 0.122 117 HG2 GLN 16 1HG GLN 16 0.198 -10.958 0.683 118 HG3 GLN 16 2HG GLN 16 0.846 -11.249 -0.932 119 HE21 GLN 16 2HE2 GLN 16 2.428 -11.597 1.453 120 HE22 GLN 16 1HE2 GLN 16 3.665 -10.434 1.436 121 H TYR 17 H TYR 17 -1.267 -12.187 -0.281 122 HA TYR 17 HA TYR 17 -3.818 -11.877 1.233 123 HB2 TYR 17 1HB TYR 17 -3.521 -13.878 -0.207 124 HB3 TYR 17 2HB TYR 17 -2.108 -14.334 0.745 125 HD1 TYR 17 HD1 TYR 17 -5.775 -13.874 0.807 126 HD2 TYR 17 HD2 TYR 17 -2.331 -15.264 2.963 127 HE1 TYR 17 HE1 TYR 17 -7.256 -14.979 2.458 128 HE2 TYR 17 HE2 TYR 17 -3.813 -16.368 4.618 129 HH TYR 17 HH TYR 17 -5.905 -16.754 5.241 130 H ARG 18 H ARG 18 -3.661 -11.299 3.328 131 HA ARG 18 HA ARG 18 -1.078 -11.754 4.763 132 HB2 ARG 18 1HB ARG 18 -3.424 -9.925 5.331 133 HB3 ARG 18 2HB ARG 18 -2.043 -10.117 6.412 134 HG2 ARG 18 1HG ARG 18 -0.523 -9.392 4.606 135 HG3 ARG 18 2HG ARG 18 -1.900 -9.210 3.519 136 HD2 ARG 18 1HD ARG 18 -1.329 -7.027 4.432 137 HD3 ARG 18 2HD ARG 18 -2.872 -7.541 5.110 138 HE ARG 18 HE ARG 18 -0.700 -8.360 6.815 139 HH11 ARG 18 1HH2 ARG 18 -2.609 -5.673 5.798 140 HH12 ARG 18 2HH2 ARG 18 -2.376 -4.785 7.266 141 HH21 ARG 18 1HH1 ARG 18 -0.389 -7.213 8.733 142 HH22 ARG 18 2HH1 ARG 18 -1.121 -5.656 8.927 143 H ASP 19 H ASP 19 -0.990 -13.032 6.566 144 HA ASP 19 HA ASP 19 -3.192 -14.874 7.060 145 HB2 ASP 19 1HB ASP 19 -0.505 -14.440 8.384 146 HB3 ASP 19 2HB ASP 19 -1.623 -15.719 8.858 147 H ASP 20 H ASP 20 -2.222 -11.817 8.293 148 HA ASP 20 HA ASP 20 -3.118 -11.969 10.984 149 HB2 ASP 20 1HB ASP 20 -1.859 -10.052 10.076 150 HB3 ASP 20 2HB ASP 20 -3.242 -9.621 9.069 151 H ILE 21 H ILE 21 -4.890 -10.967 8.051 152 HA ILE 21 HA ILE 21 -7.464 -11.308 9.546 153 HB ILE 21 HB ILE 21 -8.444 -9.900 7.757 154 HG12 ILE 21 1HG1 ILE 21 -5.581 -9.597 6.791 155 HG13 ILE 21 2HG1 ILE 21 -6.802 -10.569 5.975 156 HG21 ILE 21 1HG2 ILE 21 -5.956 -8.675 8.988 157 HG22 ILE 21 2HG2 ILE 21 -7.495 -8.881 9.825 158 HG23 ILE 21 3HG2 ILE 21 -7.384 -7.802 8.434 159 HD11 ILE 21 3HD1 ILE 21 -8.248 -8.505 5.848 160 HD12 ILE 21 1HD1 ILE 21 -6.767 -8.417 4.894 161 HD13 ILE 21 2HD1 ILE 21 -6.868 -7.582 6.443 162 H ARG 22 H ARG 22 -5.432 -12.964 7.578 163 HA ARG 22 HA ARG 22 -5.675 -14.747 6.079 164 HB2 ARG 22 1HB ARG 22 -8.214 -15.006 7.720 165 HB3 ARG 22 2HB ARG 22 -7.636 -16.239 6.597 166 HG2 ARG 22 1HG ARG 22 -5.515 -16.387 7.848 167 HG3 ARG 22 2HG ARG 22 -6.093 -15.161 8.974 168 HD2 ARG 22 1HD ARG 22 -7.480 -17.811 8.483 169 HD3 ARG 22 2HD ARG 22 -6.382 -17.499 9.826 170 HE ARG 22 HE ARG 22 -9.135 -16.597 9.633 171 HH11 ARG 22 1HH2 ARG 22 -5.980 -15.932 10.873 172 HH12 ARG 22 2HH2 ARG 22 -6.561 -14.954 12.181 173 HH21 ARG 22 1HH1 ARG 22 -9.899 -15.333 11.332 174 HH22 ARG 22 2HH1 ARG 22 -8.778 -14.616 12.440 175 H LYS 23 H LYS 23 -6.600 -12.151 5.148 176 HA LYS 23 HA LYS 23 -8.491 -13.093 3.057 177 HB2 LYS 23 1HB LYS 23 -8.846 -10.684 4.848 178 HB3 LYS 23 2HB LYS 23 -9.612 -10.772 3.264 179 HG2 LYS 23 1HG LYS 23 -9.937 -13.044 5.219 180 HG3 LYS 23 2HG LYS 23 -10.935 -11.604 5.369 181 HD2 LYS 23 1HD LYS 23 -11.714 -11.883 3.049 182 HD3 LYS 23 2HD LYS 23 -10.718 -13.323 2.874 183 HE2 LYS 23 1HE LYS 23 -11.954 -14.416 4.696 184 HE3 LYS 23 2HE LYS 23 -12.957 -12.975 4.878 185 HZ1 LYS 23 3HZ LYS 23 -12.825 -13.894 2.173 186 HZ2 LYS 23 1HZ LYS 23 -14.181 -13.538 3.127 187 HZ3 LYS 23 2HZ LYS 23 -13.458 -15.073 3.219 188 H TYR 24 H TYR 24 -8.692 -11.299 1.326 189 HA TYR 24 HA TYR 24 -5.927 -10.542 0.581 190 HB2 TYR 24 1HB TYR 24 -8.545 -10.656 -0.931 191 HB3 TYR 24 2HB TYR 24 -7.061 -10.001 -1.629 192 HD1 TYR 24 HD2 TYR 24 -5.124 -11.427 -2.051 193 HD2 TYR 24 HD1 TYR 24 -8.770 -13.036 -0.450 194 HE1 TYR 24 HE2 TYR 24 -4.335 -13.722 -2.559 195 HE2 TYR 24 HE1 TYR 24 -7.982 -15.332 -0.957 196 HH TYR 24 HH TYR 24 -6.349 -16.394 -2.582 197 H VAL 25 H VAL 25 -5.216 -8.489 0.651 198 HA VAL 25 HA VAL 25 -7.191 -6.265 0.622 199 HB VAL 25 HB VAL 25 -5.645 -5.262 2.555 200 HG11 VAL 25 1HG1 VAL 25 -7.764 -7.377 3.040 201 HG12 VAL 25 2HG1 VAL 25 -8.053 -5.657 2.782 202 HG13 VAL 25 3HG1 VAL 25 -7.211 -6.202 4.232 203 HG21 VAL 25 3HG2 VAL 25 -5.408 -8.250 3.001 204 HG22 VAL 25 1HG2 VAL 25 -4.874 -6.984 4.102 205 HG23 VAL 25 2HG2 VAL 25 -4.084 -7.182 2.538 206 HA PRO 26 HA PRO 26 -4.311 -4.295 -2.044 207 HB2 PRO 26 1HB PRO 26 -4.237 -1.702 -0.939 208 HB3 PRO 26 2HB PRO 26 -5.436 -2.293 -2.101 209 HG2 PRO 26 1HG PRO 26 -5.633 -2.056 0.864 210 HG3 PRO 26 2HG PRO 26 -6.871 -1.787 -0.376 211 HD2 PRO 26 1HD PRO 26 -6.866 -4.022 1.107 212 HD3 PRO 26 2HD PRO 26 -7.339 -4.064 -0.602 213 H TYR 27 H TYR 27 -2.241 -5.016 -1.825 214 HA TYR 27 HA TYR 27 -0.617 -4.057 0.511 215 HB2 TYR 27 1HB TYR 27 -0.853 -6.471 0.484 216 HB3 TYR 27 2HB TYR 27 -0.356 -6.542 -1.207 217 HD1 TYR 27 HD2 TYR 27 1.973 -6.135 -1.858 218 HD2 TYR 27 HD1 TYR 27 0.753 -6.035 2.259 219 HE1 TYR 27 HE2 TYR 27 4.348 -6.237 -1.153 220 HE2 TYR 27 HE1 TYR 27 3.128 -6.137 2.965 221 HH TYR 27 HH TYR 27 5.246 -6.628 2.225 222 H ALA 28 H ALA 28 0.750 -2.457 -0.091 223 HA ALA 28 HA ALA 28 2.079 -2.664 -2.776 224 HB1 ALA 28 3HB ALA 28 0.199 -0.947 -2.712 225 HB2 ALA 28 1HB ALA 28 1.780 -0.327 -3.177 226 HB3 ALA 28 2HB ALA 28 1.171 -0.052 -1.546 227 H LEU 29 H LEU 29 4.211 -1.916 -2.831 228 HA LEU 29 HA LEU 29 5.519 -1.772 -0.172 229 HB2 LEU 29 1HB LEU 29 6.708 -1.899 -2.960 230 HB3 LEU 29 2HB LEU 29 7.589 -2.095 -1.448 231 HG LEU 29 HG LEU 29 5.326 -3.887 -2.383 232 HD11 LEU 29 1HD1 LEU 29 8.304 -4.451 -2.250 233 HD12 LEU 29 2HD1 LEU 29 7.424 -4.082 -3.733 234 HD13 LEU 29 3HD1 LEU 29 7.049 -5.548 -2.826 235 HD21 LEU 29 3HD2 LEU 29 6.440 -5.338 -0.487 236 HD22 LEU 29 1HD2 LEU 29 5.318 -4.056 -0.041 237 HD23 LEU 29 2HD2 LEU 29 7.059 -3.789 0.084 238 H ILE 30 H ILE 30 6.200 0.121 0.672 239 HA ILE 30 HA ILE 30 6.272 2.534 -1.104 240 HB ILE 30 HB ILE 30 5.849 2.279 1.886 241 HG12 ILE 30 1HG1 ILE 30 4.028 3.373 -0.278 242 HG13 ILE 30 2HG1 ILE 30 3.925 1.725 0.340 243 HG21 ILE 30 1HG2 ILE 30 6.241 4.675 0.085 244 HG22 ILE 30 2HG2 ILE 30 7.105 4.276 1.569 245 HG23 ILE 30 3HG2 ILE 30 5.424 4.800 1.641 246 HD11 ILE 30 3HD1 ILE 30 3.412 2.512 2.563 247 HD12 ILE 30 1HD1 ILE 30 2.341 3.355 1.443 248 HD13 ILE 30 2HD1 ILE 30 3.750 4.181 2.103 249 H ARG 31 H ARG 31 8.239 3.416 -1.463 250 HA ARG 31 HA ARG 31 10.442 2.886 0.500 251 HB2 ARG 31 1HB ARG 31 10.688 1.397 -1.474 252 HB3 ARG 31 2HB ARG 31 10.693 2.815 -2.522 253 HG2 ARG 31 1HG ARG 31 12.706 3.662 -1.433 254 HG3 ARG 31 2HG ARG 31 12.677 2.327 -0.281 255 HD2 ARG 31 1HD ARG 31 12.909 1.968 -3.283 256 HD3 ARG 31 2HD ARG 31 14.284 1.986 -2.184 257 HE ARG 31 HE ARG 31 12.578 0.065 -1.122 258 HH11 ARG 31 1HH2 ARG 31 14.111 0.689 -4.151 259 HH12 ARG 31 2HH2 ARG 31 14.246 -0.985 -4.574 260 HH21 ARG 31 1HH1 ARG 31 12.751 -2.115 -1.659 261 HH22 ARG 31 2HH1 ARG 31 13.475 -2.572 -3.164 262 H LYS 32 H LYS 32 11.559 4.684 1.039 263 HA LYS 32 HA LYS 32 10.818 7.228 -0.301 264 HB2 LYS 32 1HB LYS 32 10.650 7.129 2.150 265 HB3 LYS 32 2HB LYS 32 12.353 6.708 2.261 266 HG2 LYS 32 1HG LYS 32 12.983 8.852 1.250 267 HG3 LYS 32 2HG LYS 32 11.282 9.272 1.046 268 HD2 LYS 32 1HD LYS 32 10.972 9.174 3.499 269 HD3 LYS 32 2HD LYS 32 12.679 8.775 3.693 270 HE2 LYS 32 1HE LYS 32 13.310 10.909 2.649 271 HE3 LYS 32 2HE LYS 32 11.610 11.309 2.414 272 HZ1 LYS 32 3HZ LYS 32 13.061 11.984 4.574 273 HZ2 LYS 32 1HZ LYS 32 12.296 10.571 5.114 274 HZ3 LYS 32 2HZ LYS 32 11.365 11.873 4.545 275 H VAL 33 H VAL 33 12.149 8.145 -1.724 276 HA VAL 33 HA VAL 33 14.582 6.990 -2.606 277 HB VAL 33 HB VAL 33 13.553 9.819 -2.894 278 HG11 VAL 33 1HG1 VAL 33 15.875 9.890 -3.415 279 HG12 VAL 33 2HG1 VAL 33 15.057 9.729 -4.969 280 HG13 VAL 33 3HG1 VAL 33 15.819 8.324 -4.224 281 HG21 VAL 33 3HG2 VAL 33 13.455 7.514 -4.854 282 HG22 VAL 33 1HG2 VAL 33 12.629 9.066 -4.977 283 HG23 VAL 33 2HG2 VAL 33 12.131 7.897 -3.754 284 H GLY 34 H GLY 34 16.693 7.290 -2.030 285 HA2 GLY 34 1HA GLY 34 18.539 8.552 -1.106 286 HA3 GLY 34 2HA GLY 34 17.398 9.475 -0.130 287 H VAL 35 H VAL 35 16.131 6.595 0.315 288 HA VAL 35 HA VAL 35 18.144 5.451 2.136 289 HB VAL 35 HB VAL 35 16.405 5.511 4.034 290 HG11 VAL 35 1HG1 VAL 35 17.245 7.622 4.839 291 HG12 VAL 35 2HG1 VAL 35 17.558 8.190 3.200 292 HG13 VAL 35 3HG1 VAL 35 18.536 6.895 3.886 293 HG21 VAL 35 3HG2 VAL 35 15.391 7.945 2.560 294 HG22 VAL 35 1HG2 VAL 35 14.668 7.106 3.933 295 HG23 VAL 35 2HG2 VAL 35 14.634 6.372 2.332 296 HA PRO 36 HA PRO 36 15.221 2.383 0.232 297 HB2 PRO 36 1HB PRO 36 17.112 0.741 -0.854 298 HB3 PRO 36 2HB PRO 36 16.539 2.202 -1.679 299 HG2 PRO 36 1HG PRO 36 19.052 1.766 -0.141 300 HG3 PRO 36 2HG PRO 36 18.788 2.691 -1.630 301 HD2 PRO 36 1HD PRO 36 18.996 3.827 0.881 302 HD3 PRO 36 2HD PRO 36 18.150 4.597 -0.481 303 H ASP 37 H ASP 37 17.679 2.383 2.566 304 HA ASP 37 HA ASP 37 17.431 -0.447 3.327 305 HB2 ASP 37 1HB ASP 37 18.845 1.869 4.686 306 HB3 ASP 37 2HB ASP 37 19.004 0.168 5.125 307 H ARG 38 H ARG 38 17.662 0.344 6.227 308 HA ARG 38 HA ARG 38 16.263 0.495 8.080 309 HB2 ARG 38 1HB ARG 38 14.846 2.445 6.245 310 HB3 ARG 38 2HB ARG 38 14.480 2.238 7.955 311 HG2 ARG 38 1HG ARG 38 16.748 2.849 8.566 312 HG3 ARG 38 2HG ARG 38 17.210 2.956 6.868 313 HD2 ARG 38 1HD ARG 38 15.608 4.759 6.510 314 HD3 ARG 38 2HD ARG 38 15.066 4.635 8.181 315 HE ARG 38 HE ARG 38 17.011 5.801 8.861 316 HH11 ARG 38 1HH2 ARG 38 17.206 4.727 5.588 317 HH12 ARG 38 2HH2 ARG 38 18.652 5.616 5.246 318 HH21 ARG 38 1HH1 ARG 38 18.892 6.967 8.427 319 HH22 ARG 38 2HH1 ARG 38 19.606 6.884 6.851 320 H THR 39 H THR 39 15.382 -0.870 5.293 321 HA THR 39 HA THR 39 13.947 -2.606 4.825 322 HB THR 39 HB THR 39 12.604 -2.271 7.494 323 HG1 THR 39 HG1 THR 39 14.732 -2.315 8.024 324 HG21 THR 39 3HG2 THR 39 11.622 -3.917 6.014 325 HG22 THR 39 1HG2 THR 39 12.475 -4.756 7.307 326 HG23 THR 39 2HG2 THR 39 13.204 -4.636 5.709 327 HA PRO 40 HA PRO 40 10.584 0.000 3.375 328 HB2 PRO 40 1HB PRO 40 9.174 -1.872 1.929 329 HB3 PRO 40 2HB PRO 40 10.667 -1.110 1.348 330 HG2 PRO 40 1HG PRO 40 10.269 -3.797 2.583 331 HG3 PRO 40 2HG PRO 40 11.323 -3.316 1.240 332 HD2 PRO 40 1HD PRO 40 12.253 -3.719 3.780 333 HD3 PRO 40 2HD PRO 40 13.014 -2.574 2.652 334 H ILE 41 H ILE 41 8.334 0.351 3.777 335 HA ILE 41 HA ILE 41 7.095 -1.497 5.792 336 HB ILE 41 HB ILE 41 6.804 1.510 5.630 337 HG12 ILE 41 1HG1 ILE 41 9.088 0.464 6.415 338 HG13 ILE 41 2HG1 ILE 41 8.342 1.720 7.391 339 HG21 ILE 41 1HG2 ILE 41 5.673 -0.632 7.434 340 HG22 ILE 41 2HG2 ILE 41 4.820 0.659 6.588 341 HG23 ILE 41 3HG2 ILE 41 5.825 1.034 7.984 342 HD11 ILE 41 3HD1 ILE 41 7.752 -1.185 7.947 343 HD12 ILE 41 1HD1 ILE 41 7.624 0.197 9.032 344 HD13 ILE 41 2HD1 ILE 41 9.210 -0.431 8.580 345 HA PRO 42 HA PRO 42 4.456 -1.497 1.995 346 HB2 PRO 42 1HB PRO 42 3.415 -3.877 3.490 347 HB3 PRO 42 2HB PRO 42 3.850 -3.723 1.775 348 HG2 PRO 42 1HG PRO 42 5.434 -5.014 3.476 349 HG3 PRO 42 2HG PRO 42 6.109 -3.993 2.193 350 HD2 PRO 42 1HD PRO 42 5.871 -3.413 5.125 351 HD3 PRO 42 2HD PRO 42 7.166 -2.972 3.986 352 H THR 43 H THR 43 2.307 -0.849 1.750 353 HA THR 43 HA THR 43 0.932 0.003 4.252 354 HB THR 43 HB THR 43 1.184 1.819 2.755 355 HG1 THR 43 HG1 THR 43 -1.234 1.483 1.761 356 HG21 THR 43 3HG2 THR 43 0.207 -0.069 0.599 357 HG22 THR 43 1HG2 THR 43 1.833 0.599 0.755 358 HG23 THR 43 2HG2 THR 43 0.478 1.658 0.364 359 H THR 44 H THR 44 -0.997 -0.842 4.838 360 HA THR 44 HA THR 44 -2.455 -2.625 2.935 361 HB THR 44 HB THR 44 -2.722 -4.316 4.623 362 HG1 THR 44 HG1 THR 44 -1.401 -3.810 6.648 363 HG21 THR 44 3HG2 THR 44 -0.609 -4.404 3.389 364 HG22 THR 44 1HG2 THR 44 -0.373 -4.964 5.043 365 HG23 THR 44 2HG2 THR 44 0.144 -3.344 4.579 366 H TYR 45 H TYR 45 -4.706 -3.088 3.821 367 HA TYR 45 HA TYR 45 -5.687 -0.888 5.568 368 HB2 TYR 45 1HB TYR 45 -5.989 -0.555 2.979 369 HB3 TYR 45 2HB TYR 45 -7.291 -1.730 3.161 370 HD1 TYR 45 HD2 TYR 45 -5.960 1.362 4.812 371 HD2 TYR 45 HD1 TYR 45 -9.429 -0.926 3.719 372 HE1 TYR 45 HE2 TYR 45 -7.420 3.155 5.702 373 HE2 TYR 45 HE1 TYR 45 -10.890 0.869 4.612 374 HH TYR 45 HH TYR 45 -9.547 3.935 5.752 375 HA PRO 46 HA PRO 46 -7.724 -4.470 7.355 376 HB2 PRO 46 1HB PRO 46 -9.412 -3.202 9.105 377 HB3 PRO 46 2HB PRO 46 -7.666 -3.356 9.382 378 HG2 PRO 46 1HG PRO 46 -9.222 -1.017 8.379 379 HG3 PRO 46 2HG PRO 46 -7.835 -1.063 9.484 380 HD2 PRO 46 1HD PRO 46 -7.622 -0.413 6.810 381 HD3 PRO 46 2HD PRO 46 -6.295 -1.114 7.766 382 H GLU 47 H GLU 47 -8.851 -5.066 5.339 383 HA GLU 47 HA GLU 47 -11.715 -4.971 5.632 384 HB2 GLU 47 1HB GLU 47 -10.786 -2.689 4.439 385 HB3 GLU 47 2HB GLU 47 -10.992 -3.706 3.017 386 HG2 GLU 47 1HG GLU 47 -13.330 -4.178 3.713 387 HG3 GLU 47 2HG GLU 47 -13.114 -3.122 5.104 388 H PHE 48 H PHE 48 -12.603 -5.711 3.191 389 HA PHE 48 HA PHE 48 -10.763 -7.855 2.216 390 HB2 PHE 48 1HB PHE 48 -13.717 -8.381 2.467 391 HB3 PHE 48 2HB PHE 48 -12.375 -9.525 2.453 392 HD1 PHE 48 HD2 PHE 48 -10.580 -9.009 4.446 393 HD2 PHE 48 HD1 PHE 48 -14.777 -8.096 4.528 394 HE1 PHE 48 HE2 PHE 48 -10.532 -9.009 6.924 395 HE2 PHE 48 HE1 PHE 48 -14.727 -8.094 7.007 396 HZ PHE 48 HZ PHE 48 -12.605 -8.554 8.205 397 H TYR 49 H TYR 49 -10.501 -7.592 0.060 398 HA TYR 49 HA TYR 49 -12.717 -6.301 -1.516 399 HB2 TYR 49 1HB TYR 49 -9.729 -6.447 -2.029 400 HB3 TYR 49 2HB TYR 49 -10.904 -5.742 -3.142 401 HD1 TYR 49 HD2 TYR 49 -9.323 -5.414 0.193 402 HD2 TYR 49 HD1 TYR 49 -11.915 -3.596 -2.709 403 HE1 TYR 49 HE2 TYR 49 -9.231 -3.278 1.449 404 HE2 TYR 49 HE1 TYR 49 -11.824 -1.461 -1.454 405 HH TYR 49 HH TYR 49 -10.164 -1.232 1.666 406 H ASP 50 H ASP 50 -10.366 -8.926 -1.378 407 HA ASP 50 HA ASP 50 -10.287 -10.985 -2.478 408 HB2 ASP 50 1HB ASP 50 -12.653 -11.041 -1.524 409 HB3 ASP 50 2HB ASP 50 -13.212 -10.516 -3.111 410 H LEU 51 H LEU 51 -10.765 -8.117 -4.046 411 HA LEU 51 HA LEU 51 -10.623 -9.396 -6.757 412 HB2 LEU 51 1HB LEU 51 -11.697 -6.683 -5.943 413 HB3 LEU 51 2HB LEU 51 -11.526 -7.232 -7.609 414 HG LEU 51 HG LEU 51 -13.159 -8.671 -5.495 415 HD11 LEU 51 1HD1 LEU 51 -14.061 -6.829 -7.729 416 HD12 LEU 51 2HD1 LEU 51 -14.121 -6.467 -6.004 417 HD13 LEU 51 3HD1 LEU 51 -15.127 -7.752 -6.671 418 HD21 LEU 51 3HD2 LEU 51 -12.689 -10.300 -7.114 419 HD22 LEU 51 1HD2 LEU 51 -12.613 -9.124 -8.427 420 HD23 LEU 51 2HD2 LEU 51 -14.171 -9.607 -7.760 421 H GLU 52 H GLU 52 -8.745 -9.146 -7.781 422 HA GLU 52 HA GLU 52 -6.543 -7.707 -6.620 423 HB2 GLU 52 1HB GLU 52 -6.294 -9.700 -8.091 424 HB3 GLU 52 2HB GLU 52 -6.872 -8.736 -9.451 425 HG2 GLU 52 1HG GLU 52 -4.992 -7.191 -9.199 426 HG3 GLU 52 2HG GLU 52 -4.427 -8.079 -7.785 427 H ALA 53 H ALA 53 -8.714 -7.030 -9.360 428 HA ALA 53 HA ALA 53 -7.448 -4.657 -10.278 429 HB1 ALA 53 3HB ALA 53 -9.269 -5.864 -11.480 430 HB2 ALA 53 1HB ALA 53 -9.594 -4.136 -11.323 431 HB3 ALA 53 2HB ALA 53 -10.413 -5.287 -10.267 432 H ASP 54 H ASP 54 -10.092 -5.070 -7.917 433 HA ASP 54 HA ASP 54 -10.326 -2.274 -7.295 434 HB2 ASP 54 1HB ASP 54 -11.987 -4.179 -6.799 435 HB3 ASP 54 2HB ASP 54 -10.970 -4.538 -5.403 436 H ALA 55 H ALA 55 -8.432 -4.928 -5.900 437 HA ALA 55 HA ALA 55 -7.432 -3.501 -3.632 438 HB1 ALA 55 3HB ALA 55 -5.519 -5.215 -3.837 439 HB2 ALA 55 1HB ALA 55 -6.399 -5.847 -5.227 440 HB3 ALA 55 2HB ALA 55 -7.147 -5.862 -3.630 441 H GLU 56 H GLU 56 -6.225 -3.850 -6.957 442 HA GLU 56 HA GLU 56 -3.788 -2.377 -6.533 443 HB2 GLU 56 1HB GLU 56 -5.418 -2.990 -9.007 444 HB3 GLU 56 2HB GLU 56 -3.880 -2.128 -9.064 445 HG2 GLU 56 1HG GLU 56 -2.737 -4.020 -8.031 446 HG3 GLU 56 2HG GLU 56 -4.266 -4.873 -7.832 447 H ARG 57 H ARG 57 -7.002 -1.429 -7.764 448 HA ARG 57 HA ARG 57 -6.323 1.321 -8.237 449 HB2 ARG 57 1HB ARG 57 -8.349 0.183 -9.154 450 HB3 ARG 57 2HB ARG 57 -9.024 0.136 -7.525 451 HG2 ARG 57 1HG ARG 57 -8.929 2.598 -7.406 452 HG3 ARG 57 2HG ARG 57 -8.249 2.653 -9.032 453 HD2 ARG 57 1HD ARG 57 -10.654 3.075 -9.141 454 HD3 ARG 57 2HD ARG 57 -10.296 1.523 -9.891 455 HE ARG 57 HE ARG 57 -11.408 0.426 -8.097 456 HH11 ARG 57 1HH2 ARG 57 -11.002 3.815 -7.554 457 HH12 ARG 57 2HH2 ARG 57 -12.074 3.855 -6.195 458 HH21 ARG 57 1HH1 ARG 57 -12.806 0.472 -6.330 459 HH22 ARG 57 2HH1 ARG 57 -13.094 1.965 -5.503 460 H VAL 58 H VAL 58 -7.788 -0.348 -5.464 461 HA VAL 58 HA VAL 58 -8.085 2.010 -3.843 462 HB VAL 58 HB VAL 58 -7.903 -0.923 -3.108 463 HG11 VAL 58 1HG1 VAL 58 -8.589 1.521 -1.454 464 HG12 VAL 58 2HG1 VAL 58 -7.317 0.344 -1.146 465 HG13 VAL 58 3HG1 VAL 58 -9.008 -0.121 -0.969 466 HG21 VAL 58 3HG2 VAL 58 -10.271 -0.906 -3.126 467 HG22 VAL 58 1HG2 VAL 58 -9.834 0.014 -4.564 468 HG23 VAL 58 2HG2 VAL 58 -10.348 0.856 -3.103 469 H SER 59 H SER 59 -5.539 -0.454 -4.115 470 HA SER 59 HA SER 59 -3.917 0.376 -1.957 471 HB2 SER 59 1HB SER 59 -2.053 -0.650 -3.217 472 HB3 SER 59 2HB SER 59 -3.486 -1.668 -3.253 473 HG SER 59 HG SER 59 -2.150 -0.519 -5.287 474 H ILE 60 H ILE 60 -4.037 1.598 -5.305 475 HA ILE 60 HA ILE 60 -1.850 3.434 -5.023 476 HB ILE 60 HB ILE 60 -4.278 3.450 -6.837 477 HG12 ILE 60 1HG1 ILE 60 -1.389 2.785 -7.460 478 HG13 ILE 60 2HG1 ILE 60 -2.576 1.565 -7.000 479 HG21 ILE 60 1HG2 ILE 60 -3.517 5.710 -6.774 480 HG22 ILE 60 2HG2 ILE 60 -2.805 5.007 -8.226 481 HG23 ILE 60 3HG2 ILE 60 -1.823 5.216 -6.776 482 HD11 ILE 60 3HD1 ILE 60 -2.471 1.667 -9.427 483 HD12 ILE 60 1HD1 ILE 60 -2.723 3.412 -9.401 484 HD13 ILE 60 2HD1 ILE 60 -4.020 2.326 -8.903 485 H ALA 61 H ALA 61 -5.370 3.832 -4.617 486 HA ALA 61 HA ALA 61 -5.255 6.623 -3.941 487 HB1 ALA 61 3HB ALA 61 -7.556 6.327 -3.202 488 HB2 ALA 61 1HB ALA 61 -7.340 4.579 -3.133 489 HB3 ALA 61 2HB ALA 61 -7.311 5.410 -4.688 490 H CYS 62 H CYS 62 -5.422 3.682 -1.936 491 HA CYS 62 HA CYS 62 -5.405 5.060 0.579 492 HB2 CYS 62 1HB CYS 62 -4.816 2.255 -0.322 493 HB3 CYS 62 2HB CYS 62 -4.450 2.725 1.340 494 HG CYS 62 HG CYS 62 -6.891 2.884 1.861 495 H ALA 63 H ALA 63 -2.788 3.484 -1.271 496 HA ALA 63 HA ALA 63 -0.617 3.905 0.396 497 HB1 ALA 63 3HB ALA 63 -0.770 4.285 -2.607 498 HB2 ALA 63 1HB ALA 63 -0.358 2.799 -1.749 499 HB3 ALA 63 2HB ALA 63 0.739 4.180 -1.700 500 H LYS 64 H LYS 64 -2.026 6.291 -1.863 501 HA LYS 64 HA LYS 64 -0.198 8.401 -1.220 502 HB2 LYS 64 1HB LYS 64 -3.053 8.465 -2.233 503 HB3 LYS 64 2HB LYS 64 -2.012 9.885 -2.132 504 HG2 LYS 64 1HG LYS 64 -0.378 8.811 -3.629 505 HG3 LYS 64 2HG LYS 64 -1.393 7.371 -3.711 506 HD2 LYS 64 1HD LYS 64 -3.216 8.702 -4.706 507 HD3 LYS 64 2HD LYS 64 -2.209 10.147 -4.623 508 HE2 LYS 64 1HE LYS 64 -0.550 9.082 -6.108 509 HE3 LYS 64 2HE LYS 64 -1.554 7.634 -6.191 510 HZ1 LYS 64 3HZ LYS 64 -2.590 8.586 -7.884 511 HZ2 LYS 64 1HZ LYS 64 -1.784 10.059 -7.648 512 HZ3 LYS 64 2HZ LYS 64 -3.223 9.735 -6.804 513 H ILE 65 H ILE 65 -3.357 7.486 0.157 514 HA ILE 65 HA ILE 65 -3.563 9.699 1.966 515 HB ILE 65 HB ILE 65 -4.691 6.887 2.101 516 HG12 ILE 65 1HG1 ILE 65 -6.036 9.524 1.434 517 HG13 ILE 65 2HG1 ILE 65 -5.388 8.431 0.213 518 HG21 ILE 65 1HG2 ILE 65 -6.327 8.007 3.727 519 HG22 ILE 65 2HG2 ILE 65 -5.148 9.312 3.852 520 HG23 ILE 65 3HG2 ILE 65 -4.711 7.678 4.350 521 HD11 ILE 65 3HD1 ILE 65 -7.917 8.248 0.855 522 HD12 ILE 65 1HD1 ILE 65 -7.325 7.399 2.281 523 HD13 ILE 65 2HD1 ILE 65 -6.980 6.768 0.672 524 H ILE 66 H ILE 66 -2.193 6.432 2.356 525 HA ILE 66 HA ILE 66 -1.465 6.750 5.113 526 HB ILE 66 HB ILE 66 -0.544 4.939 2.871 527 HG12 ILE 66 1HG1 ILE 66 -1.426 3.221 4.626 528 HG13 ILE 66 2HG1 ILE 66 -2.173 4.608 5.406 529 HG21 ILE 66 1HG2 ILE 66 0.636 5.173 5.648 530 HG22 ILE 66 2HG2 ILE 66 1.478 5.163 4.097 531 HG23 ILE 66 3HG2 ILE 66 0.738 3.684 4.705 532 HD11 ILE 66 3HD1 ILE 66 -3.369 5.148 3.316 533 HD12 ILE 66 1HD1 ILE 66 -3.724 3.498 3.824 534 HD13 ILE 66 2HD1 ILE 66 -2.582 3.787 2.516 535 H ILE 67 H ILE 67 0.338 7.299 2.081 536 HA ILE 67 HA ILE 67 2.770 8.122 3.353 537 HB ILE 67 HB ILE 67 1.586 8.776 0.641 538 HG12 ILE 67 1HG1 ILE 67 3.903 6.962 1.362 539 HG13 ILE 67 2HG1 ILE 67 2.242 6.380 1.249 540 HG21 ILE 67 1HG2 ILE 67 4.032 9.366 0.122 541 HG22 ILE 67 2HG2 ILE 67 4.260 9.469 1.868 542 HG23 ILE 67 3HG2 ILE 67 3.116 10.543 1.061 543 HD11 ILE 67 3HD1 ILE 67 3.633 6.118 -0.867 544 HD12 ILE 67 1HD1 ILE 67 3.609 7.877 -1.000 545 HD13 ILE 67 2HD1 ILE 67 2.101 6.966 -1.071 546 H ASP 68 H ASP 68 -0.070 9.927 2.203 547 HA ASP 68 HA ASP 68 0.894 12.535 2.894 548 HB2 ASP 68 1HB ASP 68 -1.893 11.390 2.616 549 HB3 ASP 68 2HB ASP 68 -1.590 13.095 2.944 550 H SER 69 H SER 69 -0.995 10.118 4.675 551 HA SER 69 HA SER 69 -1.504 11.667 7.008 552 HB2 SER 69 1HB SER 69 -1.087 8.675 6.763 553 HB3 SER 69 2HB SER 69 -1.850 9.496 8.122 554 HG SER 69 HG SER 69 -3.478 8.860 6.773 555 H HIS 70 H HIS 70 1.242 9.589 6.120 556 HA HIS 70 HA HIS 70 2.632 9.703 8.595 557 HB2 HIS 70 1HB HIS 70 3.286 8.211 6.735 558 HB3 HIS 70 2HB HIS 70 3.781 9.617 5.791 559 HD1 HIS 70 HD1 HIS 70 4.450 8.657 9.425 560 HD2 HIS 70 HD2 HIS 70 6.530 9.725 5.974 561 HE1 HIS 70 HE1 HIS 70 6.892 8.806 10.078 562 H LEU 71 H LEU 71 2.758 11.853 5.772 563 HA LEU 71 HA LEU 71 4.728 13.647 6.818 564 HB2 LEU 71 1HB LEU 71 2.484 14.054 4.824 565 HB3 LEU 71 2HB LEU 71 3.748 15.242 5.129 566 HG LEU 71 HG LEU 71 4.300 12.383 4.282 567 HD11 LEU 71 1HD1 LEU 71 3.946 14.902 2.647 568 HD12 LEU 71 2HD1 LEU 71 3.124 13.354 2.455 569 HD13 LEU 71 3HD1 LEU 71 4.832 13.501 2.043 570 HD21 LEU 71 3HD2 LEU 71 5.989 14.848 4.703 571 HD22 LEU 71 1HD2 LEU 71 6.490 13.642 3.519 572 HD23 LEU 71 2HD2 LEU 71 6.301 13.188 5.206 573 H ASP 72 H ASP 72 1.186 13.604 6.988 574 HA ASP 72 HA ASP 72 0.949 16.109 8.395 575 HB2 ASP 72 1HB ASP 72 -0.897 13.713 8.184 576 HB3 ASP 72 2HB ASP 72 -1.348 15.234 8.953 577 H ARG 73 H ARG 73 0.235 12.839 9.640 578 HA ARG 73 HA ARG 73 1.858 13.312 12.047 579 HB2 ARG 73 1HB ARG 73 -0.302 14.434 12.579 580 HB3 ARG 73 2HB ARG 73 -1.148 12.923 12.256 581 HG2 ARG 73 1HG ARG 73 0.149 11.813 14.054 582 HG3 ARG 73 2HG ARG 73 0.974 13.336 14.389 583 HD2 ARG 73 1HD ARG 73 -1.267 14.372 14.838 584 HD3 ARG 73 2HD ARG 73 -1.993 12.776 14.658 585 HE ARG 73 HE ARG 73 -0.343 13.691 16.922 586 HH11 ARG 73 1HH2 ARG 73 -1.774 11.074 15.173 587 HH12 ARG 73 2HH2 ARG 73 -1.745 9.990 16.524 588 HH21 ARG 73 1HH1 ARG 73 -0.309 12.288 18.682 589 HH22 ARG 73 2HH1 ARG 73 -0.919 10.677 18.507 590 H HIS 74 H HIS 74 -0.988 11.264 11.659 591 HA HIS 74 HA HIS 74 -1.246 8.958 11.602 592 HB2 HIS 74 1HB HIS 74 0.158 9.279 9.511 593 HB3 HIS 74 2HB HIS 74 1.563 8.852 10.486 594 HD1 HIS 74 HD1 HIS 74 1.897 6.407 11.082 595 HD2 HIS 74 HD2 HIS 74 -1.769 7.120 9.230 596 HE1 HIS 74 HE1 HIS 74 0.895 4.137 10.583 597 H ASP 75 H ASP 75 -0.532 6.969 12.658 598 HA ASP 75 HA ASP 75 0.726 7.504 15.232 599 HB2 ASP 75 1HB ASP 75 -0.308 4.983 13.910 600 HB3 ASP 75 2HB ASP 75 0.358 5.017 15.543 601 H GLN 76 H GLN 76 1.447 4.620 13.341 602 HA GLN 76 HA GLN 76 4.315 5.419 13.154 603 HB2 GLN 76 1HB GLN 76 3.986 4.101 15.255 604 HB3 GLN 76 2HB GLN 76 3.367 2.767 14.281 605 HG2 GLN 76 1HG GLN 76 5.497 2.670 13.044 606 HG3 GLN 76 2HG GLN 76 6.119 4.008 14.010 607 HE21 GLN 76 2HE2 GLN 76 7.700 2.984 15.288 608 HE22 GLN 76 1HE2 GLN 76 7.391 1.655 16.298 609 H GLY 77 H GLY 77 3.564 5.651 10.888 610 HA2 GLY 77 1HA GLY 77 3.047 3.082 9.469 611 HA3 GLY 77 2HA GLY 77 2.846 4.697 8.785 612 H LEU 78 H LEU 78 4.629 5.741 7.871 613 HA LEU 78 HA LEU 78 6.920 4.001 7.220 614 HB2 LEU 78 1HB LEU 78 6.512 6.893 6.422 615 HB3 LEU 78 2HB LEU 78 7.499 5.677 5.612 616 HG LEU 78 HG LEU 78 4.476 5.639 5.852 617 HD11 LEU 78 1HD1 LEU 78 6.275 6.024 3.441 618 HD12 LEU 78 2HD1 LEU 78 5.378 7.309 4.250 619 HD13 LEU 78 3HD1 LEU 78 4.511 6.010 3.432 620 HD21 LEU 78 3HD2 LEU 78 6.476 3.696 4.681 621 HD22 LEU 78 1HD2 LEU 78 4.795 3.726 4.152 622 HD23 LEU 78 2HD2 LEU 78 5.180 3.366 5.832 623 H ALA 79 H ALA 79 6.551 4.873 9.978 624 HA ALA 79 HA ALA 79 8.290 7.035 10.673 625 HB1 ALA 79 3HB ALA 79 6.580 5.862 12.157 626 HB2 ALA 79 1HB ALA 79 8.141 6.188 12.912 627 HB3 ALA 79 2HB ALA 79 7.761 4.565 12.337 628 H ASP 80 H ASP 80 8.850 3.572 10.188 629 HA ASP 80 HA ASP 80 11.549 3.502 11.120 630 HB2 ASP 80 1HB ASP 80 10.045 1.846 9.084 631 HB3 ASP 80 2HB ASP 80 11.706 1.491 9.558 632 H LEU 81 H LEU 81 10.203 4.037 7.859 633 HA LEU 81 HA LEU 81 12.737 4.331 6.547 634 HB2 LEU 81 1HB LEU 81 9.987 5.398 5.857 635 HB3 LEU 81 2HB LEU 81 11.375 5.491 4.776 636 HG LEU 81 HG LEU 81 10.271 2.911 5.929 637 HD11 LEU 81 1HD1 LEU 81 9.993 3.914 3.086 638 HD12 LEU 81 2HD1 LEU 81 8.750 4.161 4.313 639 HD13 LEU 81 3HD1 LEU 81 9.196 2.527 3.828 640 HD21 LEU 81 3HD2 LEU 81 12.462 2.369 5.358 641 HD22 LEU 81 1HD2 LEU 81 12.557 3.594 4.094 642 HD23 LEU 81 2HD2 LEU 81 11.674 2.096 3.809 643 H GLY 82 H GLY 82 10.530 6.686 8.039 644 HA2 GLY 82 1HA GLY 82 12.703 8.496 8.622 645 HA3 GLY 82 2HA GLY 82 11.734 9.077 7.266 Start of MODEL 3 1 H1 MET 1 1H MET 1 2.718 -1.430 -11.996 2 H2 MET 1 2H MET 1 2.154 -2.844 -12.752 3 H3 MET 1 3H MET 1 1.741 -1.319 -13.379 4 HA MET 1 HA MET 1 4.065 -2.912 -13.852 5 HB2 MET 1 1HB MET 1 2.925 -0.384 -15.079 6 HB3 MET 1 2HB MET 1 4.246 -1.324 -15.769 7 HG2 MET 1 1HG MET 1 2.333 -2.118 -16.901 8 HG3 MET 1 2HG MET 1 2.616 -3.332 -15.655 9 HE1 MET 1 3HE MET 1 -0.314 0.134 -15.644 10 HE2 MET 1 1HE MET 1 -0.326 -0.929 -17.056 11 HE3 MET 1 2HE MET 1 1.158 -0.109 -16.580 12 H ASN 2 H ASN 2 4.319 0.516 -14.344 13 HA ASN 2 HA ASN 2 6.867 0.540 -12.914 14 HB2 ASN 2 1HB ASN 2 7.055 2.839 -13.753 15 HB3 ASN 2 2HB ASN 2 6.578 1.745 -15.051 16 HD21 ASN 2 2HD2 ASN 2 5.736 3.891 -16.014 17 HD22 ASN 2 1HD2 ASN 2 4.168 4.377 -15.578 18 H VAL 3 H VAL 3 7.369 2.240 -11.296 19 HA VAL 3 HA VAL 3 5.250 2.360 -9.266 20 HB VAL 3 HB VAL 3 7.030 3.359 -7.848 21 HG11 VAL 3 1HG1 VAL 3 7.763 0.872 -9.418 22 HG12 VAL 3 2HG1 VAL 3 6.836 0.942 -7.918 23 HG13 VAL 3 3HG1 VAL 3 8.550 1.360 -7.917 24 HG21 VAL 3 3HG2 VAL 3 8.281 4.614 -9.495 25 HG22 VAL 3 1HG2 VAL 3 8.622 3.153 -10.421 26 HG23 VAL 3 2HG2 VAL 3 9.358 3.382 -8.836 27 H ALA 4 H ALA 4 4.593 4.375 -8.249 28 HA ALA 4 HA ALA 4 4.751 6.742 -10.096 29 HB1 ALA 4 3HB ALA 4 2.543 5.911 -8.190 30 HB2 ALA 4 1HB ALA 4 2.491 5.793 -9.949 31 HB3 ALA 4 2HB ALA 4 2.545 7.375 -9.174 32 H HIS 5 H HIS 5 5.373 8.682 -9.210 33 HA HIS 5 HA HIS 5 6.290 8.627 -6.374 34 HB2 HIS 5 1HB HIS 5 6.887 10.524 -8.664 35 HB3 HIS 5 2HB HIS 5 7.553 10.672 -7.037 36 HD1 HIS 5 HD1 HIS 5 9.746 10.305 -8.887 37 HD2 HIS 5 HD2 HIS 5 7.540 6.996 -7.645 38 HE1 HIS 5 HE1 HIS 5 11.204 8.274 -9.294 39 H TYR 6 H TYR 6 4.847 9.426 -4.944 40 HA TYR 6 HA TYR 6 2.777 11.337 -5.802 41 HB2 TYR 6 1HB TYR 6 2.345 9.400 -4.230 42 HB3 TYR 6 2HB TYR 6 3.310 10.255 -3.026 43 HD1 TYR 6 HD2 TYR 6 0.490 10.898 -5.411 44 HD2 TYR 6 HD1 TYR 6 2.185 11.686 -1.545 45 HE1 TYR 6 HE2 TYR 6 -1.492 12.266 -4.822 46 HE2 TYR 6 HE1 TYR 6 0.203 13.055 -0.954 47 HH TYR 6 HH TYR 6 -1.636 14.080 -1.789 48 H ARG 7 H ARG 7 4.723 11.373 -2.831 49 HA ARG 7 HA ARG 7 5.436 14.229 -3.407 50 HB2 ARG 7 1HB ARG 7 4.388 12.981 -0.857 51 HB3 ARG 7 2HB ARG 7 5.275 14.506 -0.856 52 HG2 ARG 7 1HG ARG 7 3.642 15.501 -2.379 53 HG3 ARG 7 2HG ARG 7 2.784 13.969 -2.504 54 HD2 ARG 7 1HD ARG 7 2.262 14.047 -0.098 55 HD3 ARG 7 2HD ARG 7 3.155 15.561 0.052 56 HE ARG 7 HE ARG 7 1.246 16.020 -1.946 57 HH11 ARG 7 1HH2 ARG 7 1.326 15.045 1.365 58 HH12 ARG 7 2HH2 ARG 7 -0.207 15.756 1.747 59 HH21 ARG 7 1HH1 ARG 7 -0.753 16.950 -1.460 60 HH22 ARG 7 2HH1 ARG 7 -1.384 16.832 0.148 61 H GLY 8 H GLY 8 7.174 12.323 -4.171 62 HA2 GLY 8 1HA GLY 8 9.565 12.206 -3.909 63 HA3 GLY 8 2HA GLY 8 9.387 12.669 -2.218 64 H TYR 9 H TYR 9 7.055 10.382 -2.748 65 HA TYR 9 HA TYR 9 8.867 8.180 -1.798 66 HB2 TYR 9 1HB TYR 9 5.931 8.701 -1.265 67 HB3 TYR 9 2HB TYR 9 6.794 7.246 -0.769 68 HD1 TYR 9 HD1 TYR 9 6.677 10.938 -0.389 69 HD2 TYR 9 HD2 TYR 9 8.255 7.240 1.123 70 HE1 TYR 9 HE1 TYR 9 7.524 12.120 1.619 71 HE2 TYR 9 HE2 TYR 9 9.101 8.422 3.133 72 HH TYR 9 HH TYR 9 8.729 10.423 4.378 73 H GLU 10 H GLU 10 8.803 6.222 -2.838 74 HA GLU 10 HA GLU 10 7.504 6.175 -5.469 75 HB2 GLU 10 1HB GLU 10 9.279 4.201 -4.006 76 HB3 GLU 10 2HB GLU 10 8.653 3.936 -5.635 77 HG2 GLU 10 1HG GLU 10 9.755 5.980 -6.417 78 HG3 GLU 10 2HG GLU 10 10.337 6.310 -4.786 79 H ILE 11 H ILE 11 5.852 4.763 -6.068 80 HA ILE 11 HA ILE 11 4.482 3.298 -3.836 81 HB ILE 11 HB ILE 11 3.295 4.778 -6.200 82 HG12 ILE 11 1HG1 ILE 11 2.934 5.204 -3.223 83 HG13 ILE 11 2HG1 ILE 11 4.105 6.096 -4.193 84 HG21 ILE 11 1HG2 ILE 11 1.120 4.131 -5.022 85 HG22 ILE 11 2HG2 ILE 11 2.074 2.958 -4.114 86 HG23 ILE 11 3HG2 ILE 11 1.953 2.827 -5.869 87 HD11 ILE 11 3HD1 ILE 11 1.198 5.993 -4.998 88 HD12 ILE 11 1HD1 ILE 11 2.428 7.177 -5.444 89 HD13 ILE 11 2HD1 ILE 11 1.768 7.163 -3.809 90 H GLU 12 H GLU 12 4.194 1.177 -4.182 91 HA GLU 12 HA GLU 12 4.407 0.119 -6.971 92 HB2 GLU 12 1HB GLU 12 6.443 -0.311 -5.554 93 HB3 GLU 12 2HB GLU 12 5.410 -1.282 -4.504 94 HG2 GLU 12 1HG GLU 12 6.382 -2.821 -6.052 95 HG3 GLU 12 2HG GLU 12 4.722 -2.574 -6.593 96 HA PRO 13 HA PRO 13 0.411 -1.268 -5.150 97 HB2 PRO 13 1HB PRO 13 -1.019 -1.396 -7.455 98 HB3 PRO 13 2HB PRO 13 -0.677 0.136 -6.627 99 HG2 PRO 13 1HG PRO 13 0.653 -1.055 -9.018 100 HG3 PRO 13 2HG PRO 13 0.212 0.632 -8.697 101 HD2 PRO 13 1HD PRO 13 2.758 -0.387 -8.372 102 HD3 PRO 13 2HD PRO 13 2.153 1.046 -7.508 103 H GLY 14 H GLY 14 -0.714 -3.295 -5.152 104 HA2 GLY 14 1HA GLY 14 -0.252 -5.371 -7.057 105 HA3 GLY 14 2HA GLY 14 0.845 -5.588 -5.695 106 H HIS 15 H HIS 15 -0.231 -7.511 -4.984 107 HA HIS 15 HA HIS 15 -2.636 -6.960 -3.367 108 HB2 HIS 15 1HB HIS 15 -3.922 -8.811 -4.331 109 HB3 HIS 15 2HB HIS 15 -3.549 -7.626 -5.578 110 HD1 HIS 15 HD1 HIS 15 -1.376 -8.246 -7.113 111 HD2 HIS 15 HD2 HIS 15 -3.035 -11.374 -4.911 112 HE1 HIS 15 HE1 HIS 15 -0.516 -10.391 -8.153 113 H GLN 16 H GLN 16 -2.860 -8.457 -1.651 114 HA GLN 16 HA GLN 16 -1.353 -10.910 -1.533 115 HB2 GLN 16 1HB GLN 16 0.490 -9.218 -1.222 116 HB3 GLN 16 2HB GLN 16 -0.335 -8.676 0.240 117 HG2 GLN 16 1HG GLN 16 -0.120 -10.859 1.257 118 HG3 GLN 16 2HG GLN 16 0.525 -11.538 -0.238 119 HE21 GLN 16 2HE2 GLN 16 2.034 -11.691 2.161 120 HE22 GLN 16 1HE2 GLN 16 3.393 -10.683 2.021 121 H TYR 17 H TYR 17 -1.730 -12.027 0.528 122 HA TYR 17 HA TYR 17 -4.132 -10.954 1.956 123 HB2 TYR 17 1HB TYR 17 -4.753 -13.233 2.393 124 HB3 TYR 17 2HB TYR 17 -4.372 -13.110 0.677 125 HD1 TYR 17 HD1 TYR 17 -2.236 -14.012 -0.212 126 HD2 TYR 17 HD2 TYR 17 -3.359 -14.498 3.907 127 HE1 TYR 17 HE1 TYR 17 -0.523 -15.788 0.047 128 HE2 TYR 17 HE2 TYR 17 -1.647 -16.272 4.165 129 HH TYR 17 HH TYR 17 0.602 -16.851 2.937 130 H ARG 18 H ARG 18 -4.180 -10.963 4.200 131 HA ARG 18 HA ARG 18 -1.519 -11.149 5.501 132 HB2 ARG 18 1HB ARG 18 -4.170 -10.012 6.446 133 HB3 ARG 18 2HB ARG 18 -2.664 -9.943 7.359 134 HG2 ARG 18 1HG ARG 18 -2.785 -8.873 4.537 135 HG3 ARG 18 2HG ARG 18 -3.339 -7.886 5.886 136 HD2 ARG 18 1HD ARG 18 -1.139 -8.151 6.982 137 HD3 ARG 18 2HD ARG 18 -0.574 -9.116 5.623 138 HE ARG 18 HE ARG 18 -1.573 -6.532 4.783 139 HH11 ARG 18 1HH2 ARG 18 1.069 -8.303 6.110 140 HH12 ARG 18 2HH2 ARG 18 2.274 -7.202 5.529 141 HH21 ARG 18 1HH1 ARG 18 -0.015 -5.082 4.017 142 HH22 ARG 18 2HH1 ARG 18 1.659 -5.378 4.346 143 H ASP 19 H ASP 19 -1.005 -12.863 6.692 144 HA ASP 19 HA ASP 19 -2.826 -15.056 7.107 145 HB2 ASP 19 1HB ASP 19 -0.930 -15.999 8.441 146 HB3 ASP 19 2HB ASP 19 -0.441 -15.444 6.839 147 H ASP 20 H ASP 20 -2.046 -12.217 8.948 148 HA ASP 20 HA ASP 20 -2.675 -13.152 11.569 149 HB2 ASP 20 1HB ASP 20 -2.905 -10.427 10.274 150 HB3 ASP 20 2HB ASP 20 -3.238 -10.705 11.985 151 H ILE 21 H ILE 21 -4.720 -11.766 9.013 152 HA ILE 21 HA ILE 21 -7.151 -12.622 10.554 153 HB ILE 21 HB ILE 21 -8.342 -10.839 9.300 154 HG12 ILE 21 1HG1 ILE 21 -5.570 -10.048 8.344 155 HG13 ILE 21 2HG1 ILE 21 -6.778 -10.832 7.329 156 HG21 ILE 21 1HG2 ILE 21 -7.450 -8.982 10.561 157 HG22 ILE 21 2HG2 ILE 21 -5.868 -9.754 10.672 158 HG23 ILE 21 3HG2 ILE 21 -7.243 -10.434 11.542 159 HD11 ILE 21 3HD1 ILE 21 -6.882 -8.085 8.571 160 HD12 ILE 21 1HD1 ILE 21 -8.342 -8.894 8.004 161 HD13 ILE 21 2HD1 ILE 21 -7.042 -8.524 6.871 162 H ARG 22 H ARG 22 -5.206 -13.283 7.911 163 HA ARG 22 HA ARG 22 -5.474 -14.601 6.008 164 HB2 ARG 22 1HB ARG 22 -7.788 -15.640 7.670 165 HB3 ARG 22 2HB ARG 22 -7.202 -16.409 6.199 166 HG2 ARG 22 1HG ARG 22 -5.281 -15.801 8.443 167 HG3 ARG 22 2HG ARG 22 -6.297 -17.236 8.523 168 HD2 ARG 22 1HD ARG 22 -5.409 -18.002 6.351 169 HD3 ARG 22 2HD ARG 22 -4.405 -16.561 6.245 170 HE ARG 22 HE ARG 22 -4.001 -18.213 8.650 171 HH11 ARG 22 1HH2 ARG 22 -3.061 -17.359 5.433 172 HH12 ARG 22 2HH2 ARG 22 -1.458 -17.992 5.596 173 HH21 ARG 22 1HH1 ARG 22 -1.912 -19.046 8.866 174 HH22 ARG 22 2HH1 ARG 22 -0.809 -18.948 7.535 175 H LYS 23 H LYS 23 -6.244 -12.198 5.373 176 HA LYS 23 HA LYS 23 -8.648 -12.639 3.687 177 HB2 LYS 23 1HB LYS 23 -8.277 -10.327 5.607 178 HB3 LYS 23 2HB LYS 23 -9.428 -10.303 4.269 179 HG2 LYS 23 1HG LYS 23 -10.518 -12.323 5.161 180 HG3 LYS 23 2HG LYS 23 -9.369 -12.356 6.497 181 HD2 LYS 23 1HD LYS 23 -10.152 -10.146 7.240 182 HD3 LYS 23 2HD LYS 23 -11.301 -10.102 5.903 183 HE2 LYS 23 1HE LYS 23 -12.417 -12.108 6.776 184 HE3 LYS 23 2HE LYS 23 -11.255 -12.191 8.100 185 HZ1 LYS 23 3HZ LYS 23 -12.601 -9.645 7.758 186 HZ2 LYS 23 1HZ LYS 23 -12.223 -10.492 9.178 187 HZ3 LYS 23 2HZ LYS 23 -13.589 -10.930 8.267 188 H TYR 24 H TYR 24 -8.775 -11.069 1.919 189 HA TYR 24 HA TYR 24 -6.079 -10.333 0.967 190 HB2 TYR 24 1HB TYR 24 -8.808 -10.328 -0.336 191 HB3 TYR 24 2HB TYR 24 -7.331 -9.809 -1.150 192 HD1 TYR 24 HD2 TYR 24 -5.551 -11.401 -1.683 193 HD2 TYR 24 HD1 TYR 24 -9.179 -12.671 0.233 194 HE1 TYR 24 HE2 TYR 24 -4.994 -13.762 -2.193 195 HE2 TYR 24 HE1 TYR 24 -8.621 -15.034 -0.275 196 HH TYR 24 HH TYR 24 -5.509 -15.968 -1.474 197 H VAL 25 H VAL 25 -5.325 -8.256 1.032 198 HA VAL 25 HA VAL 25 -7.299 -6.045 1.176 199 HB VAL 25 HB VAL 25 -5.849 -4.973 2.969 200 HG11 VAL 25 1HG1 VAL 25 -6.936 -6.232 4.769 201 HG12 VAL 25 2HG1 VAL 25 -7.239 -7.575 3.668 202 HG13 VAL 25 3HG1 VAL 25 -8.050 -6.028 3.416 203 HG21 VAL 25 3HG2 VAL 25 -3.940 -6.621 2.527 204 HG22 VAL 25 1HG2 VAL 25 -4.901 -7.815 3.400 205 HG23 VAL 25 2HG2 VAL 25 -4.352 -6.355 4.222 206 HA PRO 26 HA PRO 26 -4.803 -3.970 -1.850 207 HB2 PRO 26 1HB PRO 26 -4.668 -1.715 0.137 208 HB3 PRO 26 2HB PRO 26 -5.086 -1.671 -1.588 209 HG2 PRO 26 1HG PRO 26 -6.951 -1.553 0.362 210 HG3 PRO 26 2HG PRO 26 -7.258 -2.296 -1.219 211 HD2 PRO 26 1HD PRO 26 -6.979 -3.602 1.421 212 HD3 PRO 26 2HD PRO 26 -7.693 -4.227 -0.083 213 H TYR 27 H TYR 27 -2.749 -4.858 -1.967 214 HA TYR 27 HA TYR 27 -0.850 -4.379 0.294 215 HB2 TYR 27 1HB TYR 27 -1.297 -6.718 -0.565 216 HB3 TYR 27 2HB TYR 27 -0.528 -6.236 -2.075 217 HD1 TYR 27 HD2 TYR 27 0.022 -6.472 1.608 218 HD2 TYR 27 HD1 TYR 27 1.835 -6.195 -2.276 219 HE1 TYR 27 HE2 TYR 27 2.247 -6.885 2.618 220 HE2 TYR 27 HE1 TYR 27 4.062 -6.609 -1.266 221 HH TYR 27 HH TYR 27 4.406 -7.477 2.128 222 H ALA 28 H ALA 28 0.456 -2.639 0.005 223 HA ALA 28 HA ALA 28 1.666 -2.217 -2.695 224 HB1 ALA 28 3HB ALA 28 -0.303 -0.489 -1.426 225 HB2 ALA 28 1HB ALA 28 0.432 -0.327 -3.017 226 HB3 ALA 28 2HB ALA 28 1.218 0.384 -1.613 227 H LEU 29 H LEU 29 3.779 -1.431 -2.597 228 HA LEU 29 HA LEU 29 4.974 -1.280 0.153 229 HB2 LEU 29 1HB LEU 29 6.363 -1.859 -2.478 230 HB3 LEU 29 2HB LEU 29 7.044 -2.012 -0.860 231 HG LEU 29 HG LEU 29 4.725 -3.619 -1.965 232 HD11 LEU 29 1HD1 LEU 29 7.620 -4.302 -1.405 233 HD12 LEU 29 2HD1 LEU 29 6.785 -4.365 -2.957 234 HD13 LEU 29 3HD1 LEU 29 6.372 -5.516 -1.685 235 HD21 LEU 29 3HD2 LEU 29 5.266 -4.947 0.228 236 HD22 LEU 29 1HD2 LEU 29 4.302 -3.478 0.339 237 HD23 LEU 29 2HD2 LEU 29 6.015 -3.441 0.758 238 H ILE 30 H ILE 30 5.830 0.625 0.756 239 HA ILE 30 HA ILE 30 6.142 2.766 -1.321 240 HB ILE 30 HB ILE 30 5.549 2.949 1.647 241 HG12 ILE 30 1HG1 ILE 30 3.904 3.859 -0.727 242 HG13 ILE 30 2HG1 ILE 30 3.698 2.278 0.027 243 HG21 ILE 30 1HG2 ILE 30 6.170 5.036 -0.448 244 HG22 ILE 30 2HG2 ILE 30 6.929 4.820 1.131 245 HG23 ILE 30 3HG2 ILE 30 5.276 5.427 1.021 246 HD11 ILE 30 3HD1 ILE 30 3.031 3.244 2.102 247 HD12 ILE 30 1HD1 ILE 30 2.150 4.139 0.863 248 HD13 ILE 30 2HD1 ILE 30 3.580 4.848 1.615 249 H ARG 31 H ARG 31 8.147 3.579 -1.621 250 HA ARG 31 HA ARG 31 10.237 3.074 0.474 251 HB2 ARG 31 1HB ARG 31 10.439 2.730 -2.527 252 HB3 ARG 31 2HB ARG 31 11.848 2.841 -1.471 253 HG2 ARG 31 1HG ARG 31 11.079 0.884 -0.202 254 HG3 ARG 31 2HG ARG 31 9.632 0.784 -1.206 255 HD2 ARG 31 1HD ARG 31 11.019 0.404 -3.199 256 HD3 ARG 31 2HD ARG 31 12.477 0.554 -2.226 257 HE ARG 31 HE ARG 31 12.063 -1.605 -1.306 258 HH11 ARG 31 1HH2 ARG 31 9.477 -0.458 -3.295 259 HH12 ARG 31 2HH2 ARG 31 8.696 -2.000 -3.384 260 HH21 ARG 31 1HH1 ARG 31 11.051 -3.611 -1.417 261 HH22 ARG 31 2HH1 ARG 31 9.583 -3.782 -2.321 262 H LYS 32 H LYS 32 11.357 4.873 1.024 263 HA LYS 32 HA LYS 32 10.663 7.404 -0.291 264 HB2 LYS 32 1HB LYS 32 10.865 7.215 2.182 265 HB3 LYS 32 2HB LYS 32 12.580 6.856 1.994 266 HG2 LYS 32 1HG LYS 32 12.961 9.024 0.939 267 HG3 LYS 32 2HG LYS 32 11.234 9.384 0.997 268 HD2 LYS 32 1HD LYS 32 11.298 9.255 3.468 269 HD3 LYS 32 2HD LYS 32 13.032 8.936 3.399 270 HE2 LYS 32 1HE LYS 32 11.662 11.425 2.335 271 HE3 LYS 32 2HE LYS 32 12.581 11.328 3.837 272 HZ1 LYS 32 3HZ LYS 32 13.520 11.369 1.086 273 HZ2 LYS 32 1HZ LYS 32 14.348 10.326 2.136 274 HZ3 LYS 32 2HZ LYS 32 14.246 11.984 2.493 275 H VAL 33 H VAL 33 12.016 8.591 -1.600 276 HA VAL 33 HA VAL 33 14.163 7.245 -2.945 277 HB VAL 33 HB VAL 33 13.330 10.153 -2.900 278 HG11 VAL 33 1HG1 VAL 33 15.602 10.152 -3.623 279 HG12 VAL 33 2HG1 VAL 33 14.645 10.167 -5.103 280 HG13 VAL 33 3HG1 VAL 33 15.386 8.666 -4.548 281 HG21 VAL 33 3HG2 VAL 33 11.669 8.549 -3.793 282 HG22 VAL 33 1HG2 VAL 33 12.884 7.915 -4.902 283 HG23 VAL 33 2HG2 VAL 33 12.317 9.577 -5.070 284 H GLY 34 H GLY 34 16.321 7.234 -2.546 285 HA2 GLY 34 1HA GLY 34 18.390 8.247 -1.765 286 HA3 GLY 34 2HA GLY 34 17.463 9.180 -0.590 287 H VAL 35 H VAL 35 15.917 6.479 -0.195 288 HA VAL 35 HA VAL 35 17.944 4.877 1.209 289 HB VAL 35 HB VAL 35 16.696 5.021 3.384 290 HG11 VAL 35 1HG1 VAL 35 18.757 6.416 2.778 291 HG12 VAL 35 2HG1 VAL 35 17.761 7.035 4.094 292 HG13 VAL 35 3HG1 VAL 35 17.643 7.752 2.489 293 HG21 VAL 35 3HG2 VAL 35 15.271 7.143 3.612 294 HG22 VAL 35 1HG2 VAL 35 14.543 5.809 2.722 295 HG23 VAL 35 2HG2 VAL 35 15.227 7.180 1.852 296 HA PRO 36 HA PRO 36 14.027 2.783 -0.473 297 HB2 PRO 36 1HB PRO 36 15.320 1.301 -2.432 298 HB3 PRO 36 2HB PRO 36 14.556 2.875 -2.717 299 HG2 PRO 36 1HG PRO 36 17.434 2.212 -2.324 300 HG3 PRO 36 2HG PRO 36 16.687 3.424 -3.382 301 HD2 PRO 36 1HD PRO 36 17.884 4.060 -0.992 302 HD3 PRO 36 2HD PRO 36 16.557 5.009 -1.698 303 H ASP 37 H ASP 37 17.170 1.888 0.630 304 HA ASP 37 HA ASP 37 16.824 -0.957 0.798 305 HB2 ASP 37 1HB ASP 37 18.556 0.909 2.453 306 HB3 ASP 37 2HB ASP 37 18.730 -0.845 2.376 307 H ARG 38 H ARG 38 17.692 -0.700 3.793 308 HA ARG 38 HA ARG 38 16.678 -1.165 5.828 309 HB2 ARG 38 1HB ARG 38 14.767 0.984 4.878 310 HB3 ARG 38 2HB ARG 38 14.952 0.434 6.542 311 HG2 ARG 38 1HG ARG 38 17.327 1.462 4.987 312 HG3 ARG 38 2HG ARG 38 16.235 2.574 5.806 313 HD2 ARG 38 1HD ARG 38 16.622 1.322 7.939 314 HD3 ARG 38 2HD ARG 38 17.801 0.317 7.104 315 HE ARG 38 HE ARG 38 19.322 2.120 7.137 316 HH11 ARG 38 1HH2 ARG 38 16.114 3.083 7.962 317 HH12 ARG 38 2HH2 ARG 38 16.585 4.663 8.493 318 HH21 ARG 38 1HH1 ARG 38 19.952 4.167 7.830 319 HH22 ARG 38 2HH1 ARG 38 18.761 5.278 8.420 320 H THR 39 H THR 39 14.418 -1.638 6.879 321 HA THR 39 HA THR 39 13.381 -3.863 5.410 322 HB THR 39 HB THR 39 12.259 -2.593 7.912 323 HG1 THR 39 HG1 THR 39 14.312 -4.463 7.417 324 HG21 THR 39 3HG2 THR 39 10.794 -4.248 6.694 325 HG22 THR 39 1HG2 THR 39 11.260 -4.756 8.316 326 HG23 THR 39 2HG2 THR 39 12.071 -5.444 6.911 327 HA PRO 40 HA PRO 40 10.277 -1.498 3.169 328 HB2 PRO 40 1HB PRO 40 8.772 -3.591 2.197 329 HB3 PRO 40 2HB PRO 40 10.335 -3.106 1.512 330 HG2 PRO 40 1HG PRO 40 9.700 -5.349 3.373 331 HG3 PRO 40 2HG PRO 40 10.838 -5.296 2.014 332 HD2 PRO 40 1HD PRO 40 11.623 -5.078 4.631 333 HD3 PRO 40 2HD PRO 40 12.523 -4.337 3.285 334 H ILE 41 H ILE 41 8.270 -0.635 3.643 335 HA ILE 41 HA ILE 41 6.708 -1.937 5.827 336 HB ILE 41 HB ILE 41 6.807 0.991 5.120 337 HG12 ILE 41 1HG1 ILE 41 8.974 0.303 5.982 338 HG13 ILE 41 2HG1 ILE 41 8.119 1.161 7.261 339 HG21 ILE 41 1HG2 ILE 41 5.662 1.250 7.293 340 HG22 ILE 41 2HG2 ILE 41 5.646 -0.503 7.490 341 HG23 ILE 41 3HG2 ILE 41 4.714 0.246 6.193 342 HD11 ILE 41 3HD1 ILE 41 8.702 -1.780 7.020 343 HD12 ILE 41 1HD1 ILE 41 7.308 -1.253 7.958 344 HD13 ILE 41 2HD1 ILE 41 8.919 -0.722 8.405 345 HA PRO 42 HA PRO 42 3.909 -2.124 2.231 346 HB2 PRO 42 1HB PRO 42 2.286 -4.122 3.196 347 HB3 PRO 42 2HB PRO 42 3.838 -4.427 2.401 348 HG2 PRO 42 1HG PRO 42 3.154 -4.477 5.290 349 HG3 PRO 42 2HG PRO 42 4.316 -5.462 4.385 350 HD2 PRO 42 1HD PRO 42 4.986 -3.293 5.985 351 HD3 PRO 42 2HD PRO 42 6.022 -3.945 4.692 352 H THR 43 H THR 43 1.876 -1.202 1.872 353 HA THR 43 HA THR 43 0.522 -0.054 4.287 354 HB THR 43 HB THR 43 1.078 1.792 2.984 355 HG1 THR 43 HG1 THR 43 -1.367 0.852 1.900 356 HG21 THR 43 3HG2 THR 43 0.731 -0.079 0.649 357 HG22 THR 43 1HG2 THR 43 2.153 0.852 1.119 358 HG23 THR 43 2HG2 THR 43 0.758 1.668 0.413 359 H THR 44 H THR 44 -1.589 -0.506 4.647 360 HA THR 44 HA THR 44 -3.155 -1.965 2.571 361 HB THR 44 HB THR 44 -3.909 -3.596 4.193 362 HG1 THR 44 HG1 THR 44 -2.258 -2.161 5.996 363 HG21 THR 44 3HG2 THR 44 -0.929 -3.442 4.587 364 HG22 THR 44 1HG2 THR 44 -1.624 -3.821 3.011 365 HG23 THR 44 2HG2 THR 44 -1.942 -4.870 4.389 366 H TYR 45 H TYR 45 -5.520 -2.038 3.239 367 HA TYR 45 HA TYR 45 -6.226 0.312 4.926 368 HB2 TYR 45 1HB TYR 45 -6.373 0.491 2.258 369 HB3 TYR 45 2HB TYR 45 -7.918 -0.313 2.523 370 HD1 TYR 45 HD2 TYR 45 -5.887 2.447 4.073 371 HD2 TYR 45 HD1 TYR 45 -9.770 1.094 2.831 372 HE1 TYR 45 HE2 TYR 45 -6.864 4.599 4.798 373 HE2 TYR 45 HE1 TYR 45 -10.752 3.254 3.563 374 HH TYR 45 HH TYR 45 -8.839 5.633 5.317 375 HA PRO 46 HA PRO 46 -8.839 -2.510 7.223 376 HB2 PRO 46 1HB PRO 46 -10.897 -0.341 6.873 377 HB3 PRO 46 2HB PRO 46 -10.420 -1.210 8.346 378 HG2 PRO 46 1HG PRO 46 -9.581 1.289 7.823 379 HG3 PRO 46 2HG PRO 46 -8.576 0.115 8.690 380 HD2 PRO 46 1HD PRO 46 -8.239 1.179 5.942 381 HD3 PRO 46 2HD PRO 46 -7.048 0.401 7.013 382 H GLU 47 H GLU 47 -9.969 -0.982 4.253 383 HA GLU 47 HA GLU 47 -12.303 -2.588 3.857 384 HB2 GLU 47 1HB GLU 47 -10.496 -1.130 1.913 385 HB3 GLU 47 2HB GLU 47 -11.999 -1.918 1.433 386 HG2 GLU 47 1HG GLU 47 -11.806 0.220 3.574 387 HG3 GLU 47 2HG GLU 47 -12.271 0.530 1.901 388 H PHE 48 H PHE 48 -12.566 -4.330 2.270 389 HA PHE 48 HA PHE 48 -10.081 -5.975 1.878 390 HB2 PHE 48 1HB PHE 48 -12.865 -6.997 2.520 391 HB3 PHE 48 2HB PHE 48 -11.399 -7.961 2.353 392 HD1 PHE 48 HD2 PHE 48 -9.548 -7.721 4.014 393 HD2 PHE 48 HD1 PHE 48 -13.343 -5.778 4.528 394 HE1 PHE 48 HE2 PHE 48 -9.029 -7.339 6.406 395 HE2 PHE 48 HE1 PHE 48 -12.825 -5.399 6.924 396 HZ PHE 48 HZ PHE 48 -10.668 -6.180 7.864 397 H TYR 49 H TYR 49 -9.991 -7.134 -0.093 398 HA TYR 49 HA TYR 49 -12.283 -6.977 -1.946 399 HB2 TYR 49 1HB TYR 49 -9.618 -5.666 -2.572 400 HB3 TYR 49 2HB TYR 49 -10.918 -5.919 -3.737 401 HD1 TYR 49 HD1 TYR 49 -13.276 -5.004 -3.058 402 HD2 TYR 49 HD2 TYR 49 -9.585 -3.684 -1.308 403 HE1 TYR 49 HE1 TYR 49 -14.382 -2.921 -2.294 404 HE2 TYR 49 HE2 TYR 49 -10.689 -1.603 -0.542 405 HH TYR 49 HH TYR 49 -12.857 -0.237 -1.446 406 H ASP 50 H ASP 50 -12.406 -9.026 -2.633 407 HA ASP 50 HA ASP 50 -10.168 -10.858 -2.632 408 HB2 ASP 50 1HB ASP 50 -12.614 -11.469 -2.359 409 HB3 ASP 50 2HB ASP 50 -12.812 -11.155 -4.082 410 H LEU 51 H LEU 51 -11.754 -8.843 -5.045 411 HA LEU 51 HA LEU 51 -10.485 -10.026 -7.340 412 HB2 LEU 51 1HB LEU 51 -11.574 -7.215 -6.995 413 HB3 LEU 51 2HB LEU 51 -11.277 -8.037 -8.527 414 HG LEU 51 HG LEU 51 -13.219 -8.974 -6.393 415 HD11 LEU 51 1HD1 LEU 51 -13.606 -7.506 -9.011 416 HD12 LEU 51 2HD1 LEU 51 -14.140 -7.014 -7.404 417 HD13 LEU 51 3HD1 LEU 51 -14.912 -8.380 -8.208 418 HD21 LEU 51 3HD2 LEU 51 -12.591 -10.929 -7.531 419 HD22 LEU 51 1HD2 LEU 51 -12.332 -10.082 -9.056 420 HD23 LEU 51 2HD2 LEU 51 -13.971 -10.393 -8.483 421 H GLU 52 H GLU 52 -8.524 -9.624 -8.251 422 HA GLU 52 HA GLU 52 -6.506 -8.213 -6.733 423 HB2 GLU 52 1HB GLU 52 -6.019 -10.188 -8.163 424 HB3 GLU 52 2HB GLU 52 -6.418 -9.230 -9.589 425 HG2 GLU 52 1HG GLU 52 -4.612 -7.655 -9.070 426 HG3 GLU 52 2HG GLU 52 -4.234 -8.550 -7.601 427 H ALA 53 H ALA 53 -8.309 -7.516 -9.717 428 HA ALA 53 HA ALA 53 -6.940 -5.162 -10.489 429 HB1 ALA 53 3HB ALA 53 -9.922 -5.583 -10.761 430 HB2 ALA 53 1HB ALA 53 -8.748 -6.433 -11.765 431 HB3 ALA 53 2HB ALA 53 -8.856 -4.673 -11.830 432 H ASP 54 H ASP 54 -9.762 -5.544 -8.342 433 HA ASP 54 HA ASP 54 -10.095 -2.760 -7.786 434 HB2 ASP 54 1HB ASP 54 -11.806 -4.482 -7.294 435 HB3 ASP 54 2HB ASP 54 -10.761 -5.147 -6.038 436 H ALA 55 H ALA 55 -8.143 -5.288 -6.238 437 HA ALA 55 HA ALA 55 -7.292 -3.744 -3.983 438 HB1 ALA 55 3HB ALA 55 -6.988 -6.182 -4.115 439 HB2 ALA 55 1HB ALA 55 -5.439 -5.382 -3.851 440 HB3 ALA 55 2HB ALA 55 -5.861 -5.979 -5.457 441 H GLU 56 H GLU 56 -5.996 -4.088 -7.272 442 HA GLU 56 HA GLU 56 -3.588 -2.601 -6.842 443 HB2 GLU 56 1HB GLU 56 -5.260 -3.085 -9.323 444 HB3 GLU 56 2HB GLU 56 -3.693 -2.275 -9.353 445 HG2 GLU 56 1HG GLU 56 -2.621 -4.259 -8.384 446 HG3 GLU 56 2HG GLU 56 -4.184 -5.066 -8.268 447 H ARG 57 H ARG 57 -6.804 -1.600 -8.038 448 HA ARG 57 HA ARG 57 -6.146 1.159 -8.419 449 HB2 ARG 57 1HB ARG 57 -8.758 -0.270 -7.860 450 HB3 ARG 57 2HB ARG 57 -8.666 1.455 -8.212 451 HG2 ARG 57 1HG ARG 57 -7.644 0.999 -10.383 452 HG3 ARG 57 2HG ARG 57 -7.587 -0.726 -10.023 453 HD2 ARG 57 1HD ARG 57 -9.519 -0.244 -11.453 454 HD3 ARG 57 2HD ARG 57 -10.063 -0.759 -9.861 455 HE ARG 57 HE ARG 57 -10.871 1.439 -9.453 456 HH11 ARG 57 1HH2 ARG 57 -8.984 1.214 -12.339 457 HH12 ARG 57 2HH2 ARG 57 -9.454 2.775 -12.921 458 HH21 ARG 57 1HH1 ARG 57 -11.493 3.472 -10.206 459 HH22 ARG 57 2HH1 ARG 57 -10.872 4.053 -11.714 460 H VAL 58 H VAL 58 -7.561 -0.587 -5.661 461 HA VAL 58 HA VAL 58 -7.864 1.724 -3.983 462 HB VAL 58 HB VAL 58 -7.609 -1.219 -3.312 463 HG11 VAL 58 1HG1 VAL 58 -8.330 1.180 -1.610 464 HG12 VAL 58 2HG1 VAL 58 -7.032 0.024 -1.334 465 HG13 VAL 58 3HG1 VAL 58 -8.713 -0.477 -1.150 466 HG21 VAL 58 3HG2 VAL 58 -10.004 -1.197 -3.214 467 HG22 VAL 58 1HG2 VAL 58 -9.566 -0.402 -4.727 468 HG23 VAL 58 2HG2 VAL 58 -10.058 0.562 -3.334 469 H SER 59 H SER 59 -5.279 -0.697 -4.322 470 HA SER 59 HA SER 59 -3.656 0.122 -2.164 471 HB2 SER 59 1HB SER 59 -1.787 -0.867 -3.451 472 HB3 SER 59 2HB SER 59 -3.213 -1.899 -3.490 473 HG SER 59 HG SER 59 -2.363 -1.653 -5.571 474 H ILE 60 H ILE 60 -3.825 1.415 -5.489 475 HA ILE 60 HA ILE 60 -1.644 3.253 -5.213 476 HB ILE 60 HB ILE 60 -4.138 3.337 -6.938 477 HG12 ILE 60 1HG1 ILE 60 -1.272 2.663 -7.665 478 HG13 ILE 60 2HG1 ILE 60 -2.483 1.450 -7.251 479 HG21 ILE 60 1HG2 ILE 60 -3.382 5.587 -6.832 480 HG22 ILE 60 2HG2 ILE 60 -2.686 4.943 -8.316 481 HG23 ILE 60 3HG2 ILE 60 -1.686 5.105 -6.872 482 HD11 ILE 60 3HD1 ILE 60 -2.192 1.926 -9.746 483 HD12 ILE 60 1HD1 ILE 60 -2.934 3.494 -9.433 484 HD13 ILE 60 2HD1 ILE 60 -3.842 2.013 -9.129 485 H ALA 61 H ALA 61 -5.156 3.626 -4.700 486 HA ALA 61 HA ALA 61 -5.020 6.384 -3.892 487 HB1 ALA 61 3HB ALA 61 -7.082 4.301 -3.116 488 HB2 ALA 61 1HB ALA 61 -7.098 5.197 -4.634 489 HB3 ALA 61 2HB ALA 61 -7.296 6.052 -3.105 490 H CYS 62 H CYS 62 -4.879 3.315 -2.139 491 HA CYS 62 HA CYS 62 -4.933 4.420 0.500 492 HB2 CYS 62 1HB CYS 62 -5.199 1.962 -0.246 493 HB3 CYS 62 2HB CYS 62 -3.437 1.911 -0.274 494 HG CYS 62 HG CYS 62 -4.719 1.333 2.150 495 H ALA 63 H ALA 63 -2.208 3.396 -1.561 496 HA ALA 63 HA ALA 63 -0.076 4.020 0.124 497 HB1 ALA 63 3HB ALA 63 -0.088 4.696 -2.824 498 HB2 ALA 63 1HB ALA 63 -0.027 3.033 -2.239 499 HB3 ALA 63 2HB ALA 63 1.272 4.159 -1.837 500 H LYS 64 H LYS 64 -1.927 6.231 -1.969 501 HA LYS 64 HA LYS 64 -0.349 8.558 -1.449 502 HB2 LYS 64 1HB LYS 64 -3.276 8.231 -2.163 503 HB3 LYS 64 2HB LYS 64 -2.460 9.792 -2.090 504 HG2 LYS 64 1HG LYS 64 -0.840 9.028 -3.792 505 HG3 LYS 64 2HG LYS 64 -1.655 7.464 -3.864 506 HD2 LYS 64 1HD LYS 64 -3.716 8.532 -4.630 507 HD3 LYS 64 2HD LYS 64 -2.975 10.125 -4.476 508 HE2 LYS 64 1HE LYS 64 -2.911 9.388 -6.817 509 HE3 LYS 64 2HE LYS 64 -1.276 9.482 -6.162 510 HZ1 LYS 64 3HZ LYS 64 -1.021 7.259 -6.224 511 HZ2 LYS 64 1HZ LYS 64 -2.198 7.358 -7.441 512 HZ3 LYS 64 2HZ LYS 64 -2.648 6.937 -5.857 513 H ILE 65 H ILE 65 -3.178 7.178 0.215 514 HA ILE 65 HA ILE 65 -3.514 9.305 2.096 515 HB ILE 65 HB ILE 65 -4.200 6.355 2.268 516 HG12 ILE 65 1HG1 ILE 65 -5.954 8.782 1.765 517 HG13 ILE 65 2HG1 ILE 65 -5.298 7.765 0.484 518 HG21 ILE 65 1HG2 ILE 65 -4.839 8.675 4.104 519 HG22 ILE 65 2HG2 ILE 65 -4.117 7.122 4.527 520 HG23 ILE 65 3HG2 ILE 65 -5.816 7.207 4.069 521 HD11 ILE 65 3HD1 ILE 65 -7.498 6.933 0.912 522 HD12 ILE 65 1HD1 ILE 65 -7.247 6.973 2.657 523 HD13 ILE 65 2HD1 ILE 65 -6.395 5.787 1.671 524 H ILE 66 H ILE 66 -1.643 6.271 2.268 525 HA ILE 66 HA ILE 66 -0.731 6.664 4.956 526 HB ILE 66 HB ILE 66 0.237 5.006 2.620 527 HG12 ILE 66 1HG1 ILE 66 -0.267 3.176 4.382 528 HG13 ILE 66 2HG1 ILE 66 -1.076 4.440 5.299 529 HG21 ILE 66 1HG2 ILE 66 1.808 3.939 4.386 530 HG22 ILE 66 2HG2 ILE 66 1.606 5.447 5.279 531 HG23 ILE 66 3HG2 ILE 66 2.310 5.468 3.663 532 HD11 ILE 66 3HD1 ILE 66 -2.648 3.184 3.841 533 HD12 ILE 66 1HD1 ILE 66 -1.715 3.684 2.435 534 HD13 ILE 66 2HD1 ILE 66 -2.571 4.884 3.399 535 H ILE 67 H ILE 67 0.736 7.474 1.801 536 HA ILE 67 HA ILE 67 3.144 8.576 2.892 537 HB ILE 67 HB ILE 67 1.674 9.136 0.299 538 HG12 ILE 67 1HG1 ILE 67 4.190 7.522 0.805 539 HG13 ILE 67 2HG1 ILE 67 2.581 6.802 0.770 540 HG21 ILE 67 1HG2 ILE 67 4.388 10.020 1.303 541 HG22 ILE 67 2HG2 ILE 67 3.082 11.028 0.678 542 HG23 ILE 67 3HG2 ILE 67 3.982 9.973 -0.412 543 HD11 ILE 67 3HD1 ILE 67 2.253 7.373 -1.511 544 HD12 ILE 67 1HD1 ILE 67 3.909 6.773 -1.435 545 HD13 ILE 67 2HD1 ILE 67 3.603 8.507 -1.503 546 H ASP 68 H ASP 68 0.047 10.077 1.965 547 HA ASP 68 HA ASP 68 0.822 12.757 2.660 548 HB2 ASP 68 1HB ASP 68 -1.098 12.224 1.191 549 HB3 ASP 68 2HB ASP 68 -1.941 11.508 2.565 550 H SER 69 H SER 69 -0.918 10.205 4.434 551 HA SER 69 HA SER 69 -1.383 11.768 6.801 552 HB2 SER 69 1HB SER 69 -1.811 9.574 7.867 553 HB3 SER 69 2HB SER 69 -2.627 9.703 6.312 554 HG SER 69 HG SER 69 -0.438 8.163 7.084 555 H HIS 70 H HIS 70 1.273 9.702 5.720 556 HA HIS 70 HA HIS 70 2.713 9.527 8.163 557 HB2 HIS 70 1HB HIS 70 3.269 8.215 6.142 558 HB3 HIS 70 2HB HIS 70 3.783 9.692 5.327 559 HD1 HIS 70 HD1 HIS 70 4.615 7.840 8.568 560 HD2 HIS 70 HD2 HIS 70 6.466 10.183 5.659 561 HE1 HIS 70 HE1 HIS 70 7.069 7.942 9.185 562 H LEU 71 H LEU 71 2.819 11.975 5.575 563 HA LEU 71 HA LEU 71 4.881 13.582 6.738 564 HB2 LEU 71 1HB LEU 71 2.578 14.298 4.901 565 HB3 LEU 71 2HB LEU 71 3.900 15.395 5.293 566 HG LEU 71 HG LEU 71 4.265 12.653 4.048 567 HD11 LEU 71 1HD1 LEU 71 4.660 13.830 1.946 568 HD12 LEU 71 2HD1 LEU 71 4.395 15.385 2.734 569 HD13 LEU 71 3HD1 LEU 71 3.061 14.244 2.561 570 HD21 LEU 71 3HD2 LEU 71 6.336 13.115 5.007 571 HD22 LEU 71 1HD2 LEU 71 6.133 14.861 4.881 572 HD23 LEU 71 2HD2 LEU 71 6.538 13.912 3.453 573 H ASP 72 H ASP 72 1.348 13.619 7.060 574 HA ASP 72 HA ASP 72 1.257 15.960 8.731 575 HB2 ASP 72 1HB ASP 72 -0.678 14.961 7.439 576 HB3 ASP 72 2HB ASP 72 -0.745 13.689 8.657 577 H ARG 73 H ARG 73 2.601 12.999 9.292 578 HA ARG 73 HA ARG 73 3.442 11.985 11.216 579 HB2 ARG 73 1HB ARG 73 3.843 14.421 11.890 580 HB3 ARG 73 2HB ARG 73 2.343 14.308 12.811 581 HG2 ARG 73 1HG ARG 73 3.233 12.403 14.076 582 HG3 ARG 73 2HG ARG 73 4.733 12.484 13.151 583 HD2 ARG 73 1HD ARG 73 5.056 13.635 15.275 584 HD3 ARG 73 2HD ARG 73 5.069 14.816 13.968 585 HE ARG 73 HE ARG 73 2.999 15.682 14.761 586 HH11 ARG 73 1HH2 ARG 73 3.927 12.757 16.350 587 HH12 ARG 73 2HH2 ARG 73 2.752 12.919 17.612 588 HH21 ARG 73 1HH1 ARG 73 1.471 15.903 16.404 589 HH22 ARG 73 2HH1 ARG 73 1.363 14.698 17.643 590 H HIS 74 H HIS 74 1.467 10.585 10.591 591 HA HIS 74 HA HIS 74 -0.412 10.469 12.932 592 HB2 HIS 74 1HB HIS 74 -1.613 11.128 10.891 593 HB3 HIS 74 2HB HIS 74 -0.971 9.717 10.047 594 HD1 HIS 74 HD1 HIS 74 -2.975 10.445 13.220 595 HD2 HIS 74 HD2 HIS 74 -2.609 7.509 10.283 596 HE1 HIS 74 HE1 HIS 74 -4.736 8.698 13.730 597 H ASP 75 H ASP 75 0.186 8.786 14.146 598 HA ASP 75 HA ASP 75 0.988 6.688 14.782 599 HB2 ASP 75 1HB ASP 75 -0.539 6.053 12.250 600 HB3 ASP 75 2HB ASP 75 0.190 4.796 13.254 601 H GLN 76 H GLN 76 2.205 4.646 13.830 602 HA GLN 76 HA GLN 76 4.793 5.367 13.114 603 HB2 GLN 76 1HB GLN 76 3.258 2.832 12.479 604 HB3 GLN 76 2HB GLN 76 4.999 2.998 12.250 605 HG2 GLN 76 1HG GLN 76 5.286 3.504 14.637 606 HG3 GLN 76 2HG GLN 76 3.541 3.404 14.880 607 HE21 GLN 76 2HE2 GLN 76 6.366 1.595 15.136 608 HE22 GLN 76 1HE2 GLN 76 5.689 0.040 15.071 609 H GLY 77 H GLY 77 3.549 3.293 10.665 610 HA2 GLY 77 1HA GLY 77 3.455 3.492 8.339 611 HA3 GLY 77 2HA GLY 77 2.980 5.169 8.599 612 H LEU 78 H LEU 78 5.190 3.406 7.027 613 HA LEU 78 HA LEU 78 7.424 3.714 6.339 614 HB2 LEU 78 1HB LEU 78 6.742 6.653 6.424 615 HB3 LEU 78 2HB LEU 78 7.715 5.781 5.240 616 HG LEU 78 HG LEU 78 4.714 5.609 5.620 617 HD11 LEU 78 1HD1 LEU 78 5.678 7.550 4.331 618 HD12 LEU 78 2HD1 LEU 78 4.608 6.516 3.386 619 HD13 LEU 78 3HD1 LEU 78 6.355 6.383 3.196 620 HD21 LEU 78 3HD2 LEU 78 5.447 3.372 5.132 621 HD22 LEU 78 1HD2 LEU 78 6.600 3.948 3.928 622 HD23 LEU 78 2HD2 LEU 78 4.869 4.050 3.611 623 H ALA 79 H ALA 79 6.840 3.916 9.308 624 HA ALA 79 HA ALA 79 8.478 5.894 10.528 625 HB1 ALA 79 3HB ALA 79 7.923 3.064 11.472 626 HB2 ALA 79 1HB ALA 79 6.856 4.443 11.735 627 HB3 ALA 79 2HB ALA 79 8.456 4.410 12.480 628 H ASP 80 H ASP 80 9.242 2.542 9.550 629 HA ASP 80 HA ASP 80 12.000 2.641 10.340 630 HB2 ASP 80 1HB ASP 80 10.498 0.944 8.342 631 HB3 ASP 80 2HB ASP 80 12.208 0.709 8.691 632 H LEU 81 H LEU 81 10.307 3.459 7.345 633 HA LEU 81 HA LEU 81 12.809 4.007 5.908 634 HB2 LEU 81 1HB LEU 81 9.976 4.723 5.100 635 HB3 LEU 81 2HB LEU 81 11.380 4.550 4.047 636 HG LEU 81 HG LEU 81 10.138 2.312 5.679 637 HD11 LEU 81 1HD1 LEU 81 9.922 3.108 2.776 638 HD12 LEU 81 2HD1 LEU 81 8.624 2.770 3.918 639 HD13 LEU 81 3HD1 LEU 81 9.622 1.453 3.304 640 HD21 LEU 81 3HD2 LEU 81 11.657 0.957 4.056 641 HD22 LEU 81 1HD2 LEU 81 12.422 1.762 5.425 642 HD23 LEU 81 2HD2 LEU 81 12.511 2.481 3.817 643 H GLY 82 H GLY 82 11.075 5.619 8.243 644 HA2 GLY 82 1HA GLY 82 12.549 7.993 8.167 645 HA3 GLY 82 2HA GLY 82 11.101 8.307 7.208 Start of MODEL 4 1 H1 MET 1 1H MET 1 3.118 -2.344 -12.645 2 H2 MET 1 2H MET 1 3.973 -3.245 -13.804 3 H3 MET 1 3H MET 1 2.330 -2.882 -14.047 4 HA MET 1 HA MET 1 3.940 -1.503 -15.363 5 HB2 MET 1 1HB MET 1 1.961 -0.244 -13.449 6 HB3 MET 1 2HB MET 1 2.718 0.635 -14.777 7 HG2 MET 1 1HG MET 1 1.789 -0.943 -16.397 8 HG3 MET 1 2HG MET 1 1.100 -1.909 -15.092 9 HE1 MET 1 3HE MET 1 -0.101 2.196 -16.633 10 HE2 MET 1 1HE MET 1 1.428 1.326 -16.812 11 HE3 MET 1 2HE MET 1 1.086 2.219 -15.332 12 H ASN 2 H ASN 2 4.614 1.036 -14.753 13 HA ASN 2 HA ASN 2 7.011 0.679 -13.140 14 HB2 ASN 2 1HB ASN 2 5.818 3.106 -14.506 15 HB3 ASN 2 2HB ASN 2 7.391 3.094 -13.704 16 HD21 ASN 2 2HD2 ASN 2 7.564 0.099 -14.706 17 HD22 ASN 2 1HD2 ASN 2 8.100 0.277 -16.304 18 H VAL 3 H VAL 3 7.549 1.920 -11.254 19 HA VAL 3 HA VAL 3 5.378 2.123 -9.356 20 HB VAL 3 HB VAL 3 7.181 3.073 -7.852 21 HG11 VAL 3 1HG1 VAL 3 7.951 0.544 -9.337 22 HG12 VAL 3 2HG1 VAL 3 6.681 0.622 -8.118 23 HG13 VAL 3 3HG1 VAL 3 8.353 0.955 -7.670 24 HG21 VAL 3 3HG2 VAL 3 8.894 2.562 -10.311 25 HG22 VAL 3 1HG2 VAL 3 9.497 3.000 -8.713 26 HG23 VAL 3 2HG2 VAL 3 8.525 4.148 -9.634 27 H ALA 4 H ALA 4 4.303 3.921 -8.629 28 HA ALA 4 HA ALA 4 4.567 6.381 -10.242 29 HB1 ALA 4 3HB ALA 4 2.457 7.005 -9.309 30 HB2 ALA 4 1HB ALA 4 2.624 5.856 -7.983 31 HB3 ALA 4 2HB ALA 4 2.345 5.275 -9.625 32 H HIS 5 H HIS 5 4.667 8.497 -9.162 33 HA HIS 5 HA HIS 5 6.292 8.414 -6.636 34 HB2 HIS 5 1HB HIS 5 6.213 10.428 -8.904 35 HB3 HIS 5 2HB HIS 5 7.129 10.648 -7.414 36 HD1 HIS 5 HD1 HIS 5 8.841 10.573 -9.831 37 HD2 HIS 5 HD2 HIS 5 7.658 7.057 -7.930 38 HE1 HIS 5 HE1 HIS 5 10.511 8.793 -10.506 39 H TYR 6 H TYR 6 5.602 9.654 -4.905 40 HA TYR 6 HA TYR 6 3.449 11.637 -5.297 41 HB2 TYR 6 1HB TYR 6 2.267 9.462 -5.006 42 HB3 TYR 6 2HB TYR 6 3.074 9.258 -3.449 43 HD1 TYR 6 HD1 TYR 6 1.070 11.799 -5.344 44 HD2 TYR 6 HD2 TYR 6 1.992 10.056 -1.526 45 HE1 TYR 6 HE1 TYR 6 -0.664 13.214 -4.280 46 HE2 TYR 6 HE2 TYR 6 0.255 11.471 -0.463 47 HH TYR 6 HH TYR 6 -1.395 12.923 -0.806 48 H ARG 7 H ARG 7 4.077 13.350 -4.139 49 HA ARG 7 HA ARG 7 5.128 14.656 -2.513 50 HB2 ARG 7 1HB ARG 7 4.346 12.281 -0.799 51 HB3 ARG 7 2HB ARG 7 4.863 13.850 -0.178 52 HG2 ARG 7 1HG ARG 7 2.986 14.946 -1.313 53 HG3 ARG 7 2HG ARG 7 2.486 13.406 -2.009 54 HD2 ARG 7 1HD ARG 7 1.106 13.852 -0.061 55 HD3 ARG 7 2HD ARG 7 2.192 12.514 0.313 56 HE ARG 7 HE ARG 7 3.358 13.922 1.840 57 HH11 ARG 7 1HH2 ARG 7 1.036 15.630 -0.072 58 HH12 ARG 7 2HH2 ARG 7 1.101 17.061 0.900 59 HH21 ARG 7 1HH1 ARG 7 3.449 15.785 3.109 60 HH22 ARG 7 2HH1 ARG 7 2.464 17.149 2.696 61 H GLY 8 H GLY 8 6.769 12.685 -4.056 62 HA2 GLY 8 1HA GLY 8 9.134 12.422 -4.074 63 HA3 GLY 8 2HA GLY 8 9.180 12.906 -2.378 64 H TYR 9 H TYR 9 6.775 10.665 -2.604 65 HA TYR 9 HA TYR 9 8.609 8.471 -1.720 66 HB2 TYR 9 1HB TYR 9 5.660 8.977 -1.237 67 HB3 TYR 9 2HB TYR 9 6.499 7.505 -0.742 68 HD1 TYR 9 HD1 TYR 9 6.344 11.181 -0.282 69 HD2 TYR 9 HD2 TYR 9 7.984 7.477 1.138 70 HE1 TYR 9 HE1 TYR 9 7.170 12.331 1.755 71 HE2 TYR 9 HE2 TYR 9 8.808 8.623 3.177 72 HH TYR 9 HH TYR 9 7.797 11.177 4.384 73 H GLU 10 H GLU 10 8.589 6.512 -2.775 74 HA GLU 10 HA GLU 10 7.237 6.443 -5.404 75 HB2 GLU 10 1HB GLU 10 9.244 4.618 -4.051 76 HB3 GLU 10 2HB GLU 10 8.555 4.297 -5.645 77 HG2 GLU 10 1HG GLU 10 9.431 6.416 -6.488 78 HG3 GLU 10 2HG GLU 10 10.053 6.823 -4.887 79 H ILE 11 H ILE 11 5.596 5.033 -5.910 80 HA ILE 11 HA ILE 11 4.508 3.326 -3.684 81 HB ILE 11 HB ILE 11 3.039 4.827 -5.874 82 HG12 ILE 11 1HG1 ILE 11 2.900 5.129 -2.863 83 HG13 ILE 11 2HG1 ILE 11 3.923 6.132 -3.889 84 HG21 ILE 11 1HG2 ILE 11 1.873 2.772 -5.507 85 HG22 ILE 11 2HG2 ILE 11 1.019 3.985 -4.553 86 HG23 ILE 11 3HG2 ILE 11 2.125 2.861 -3.763 87 HD11 ILE 11 3HD1 ILE 11 1.594 7.060 -3.306 88 HD12 ILE 11 1HD1 ILE 11 0.963 5.841 -4.411 89 HD13 ILE 11 2HD1 ILE 11 2.061 7.087 -5.005 90 H GLU 12 H GLU 12 4.348 1.198 -4.174 91 HA GLU 12 HA GLU 12 4.611 0.395 -7.048 92 HB2 GLU 12 1HB GLU 12 6.527 -0.230 -5.558 93 HB3 GLU 12 2HB GLU 12 5.406 -1.220 -4.621 94 HG2 GLU 12 1HG GLU 12 4.867 -2.549 -6.586 95 HG3 GLU 12 2HG GLU 12 5.868 -1.512 -7.602 96 HA PRO 13 HA PRO 13 0.478 -1.199 -6.064 97 HB2 PRO 13 1HB PRO 13 -0.200 -2.117 -8.545 98 HB3 PRO 13 2HB PRO 13 -0.206 -0.391 -8.127 99 HG2 PRO 13 1HG PRO 13 1.840 -1.970 -9.623 100 HG3 PRO 13 2HG PRO 13 1.240 -0.328 -9.924 101 HD2 PRO 13 1HD PRO 13 3.627 -0.868 -8.659 102 HD3 PRO 13 2HD PRO 13 2.700 0.624 -8.397 103 H GLY 14 H GLY 14 -0.575 -3.303 -5.919 104 HA2 GLY 14 1HA GLY 14 0.379 -5.735 -6.934 105 HA3 GLY 14 2HA GLY 14 1.269 -5.466 -5.435 106 H HIS 15 H HIS 15 -0.047 -7.554 -4.996 107 HA HIS 15 HA HIS 15 -2.385 -6.759 -3.373 108 HB2 HIS 15 1HB HIS 15 -3.770 -8.594 -4.339 109 HB3 HIS 15 2HB HIS 15 -3.428 -7.321 -5.509 110 HD1 HIS 15 HD1 HIS 15 -1.723 -7.869 -7.413 111 HD2 HIS 15 HD2 HIS 15 -2.564 -11.099 -4.916 112 HE1 HIS 15 HE1 HIS 15 -0.837 -9.931 -8.588 113 H GLN 16 H GLN 16 -2.709 -8.188 -1.636 114 HA GLN 16 HA GLN 16 -1.459 -10.786 -1.499 115 HB2 GLN 16 1HB GLN 16 0.575 -9.415 -1.224 116 HB3 GLN 16 2HB GLN 16 -0.182 -8.564 0.122 117 HG2 GLN 16 1HG GLN 16 -0.306 -10.593 1.427 118 HG3 GLN 16 2HG GLN 16 0.237 -11.561 0.058 119 HE21 GLN 16 2HE2 GLN 16 2.309 -12.253 0.650 120 HE22 GLN 16 1HE2 GLN 16 3.546 -11.230 1.197 121 H TYR 17 H TYR 17 -1.977 -11.853 0.532 122 HA TYR 17 HA TYR 17 -4.257 -10.530 1.945 123 HB2 TYR 17 1HB TYR 17 -4.924 -12.804 2.584 124 HB3 TYR 17 2HB TYR 17 -4.757 -12.676 0.834 125 HD1 TYR 17 HD2 TYR 17 -2.871 -13.716 -0.338 126 HD2 TYR 17 HD1 TYR 17 -3.325 -14.076 3.918 127 HE1 TYR 17 HE2 TYR 17 -1.209 -15.557 -0.317 128 HE2 TYR 17 HE1 TYR 17 -1.664 -15.917 3.939 129 HH TYR 17 HH TYR 17 -0.008 -16.933 0.953 130 H ARG 18 H ARG 18 -4.214 -10.251 4.130 131 HA ARG 18 HA ARG 18 -1.581 -10.608 5.446 132 HB2 ARG 18 1HB ARG 18 -4.127 -9.210 6.313 133 HB3 ARG 18 2HB ARG 18 -2.647 -9.261 7.271 134 HG2 ARG 18 1HG ARG 18 -1.413 -8.137 5.484 135 HG3 ARG 18 2HG ARG 18 -2.842 -8.158 4.452 136 HD2 ARG 18 1HD ARG 18 -2.649 -5.957 5.473 137 HD3 ARG 18 2HD ARG 18 -4.041 -6.785 6.172 138 HE ARG 18 HE ARG 18 -1.723 -7.301 7.777 139 HH11 ARG 18 1HH2 ARG 18 -3.957 -4.826 6.866 140 HH12 ARG 18 2HH2 ARG 18 -3.807 -3.963 8.361 141 HH21 ARG 18 1HH1 ARG 18 -1.518 -6.182 9.727 142 HH22 ARG 18 2HH1 ARG 18 -2.428 -4.729 9.978 143 H ASP 19 H ASP 19 -1.203 -12.120 7.008 144 HA ASP 19 HA ASP 19 -3.057 -14.292 7.386 145 HB2 ASP 19 1HB ASP 19 -1.396 -15.059 9.087 146 HB3 ASP 19 2HB ASP 19 -0.633 -14.622 7.557 147 H ASP 20 H ASP 20 -2.569 -11.256 8.965 148 HA ASP 20 HA ASP 20 -3.582 -11.827 11.558 149 HB2 ASP 20 1HB ASP 20 -2.458 -9.715 10.930 150 HB3 ASP 20 2HB ASP 20 -3.843 -9.280 9.928 151 H ILE 21 H ILE 21 -5.288 -10.721 8.612 152 HA ILE 21 HA ILE 21 -7.887 -11.437 9.924 153 HB ILE 21 HB ILE 21 -8.877 -10.052 8.044 154 HG12 ILE 21 1HG1 ILE 21 -6.005 -9.147 7.693 155 HG13 ILE 21 2HG1 ILE 21 -6.830 -10.237 6.575 156 HG21 ILE 21 1HG2 ILE 21 -8.342 -7.923 9.118 157 HG22 ILE 21 2HG2 ILE 21 -6.894 -8.624 9.841 158 HG23 ILE 21 3HG2 ILE 21 -8.490 -9.178 10.349 159 HD11 ILE 21 3HD1 ILE 21 -8.561 -8.517 6.181 160 HD12 ILE 21 1HD1 ILE 21 -6.956 -7.905 5.778 161 HD13 ILE 21 2HD1 ILE 21 -7.729 -7.428 7.290 162 H ARG 22 H ARG 22 -5.604 -12.680 7.871 163 HA ARG 22 HA ARG 22 -5.628 -14.336 6.212 164 HB2 ARG 22 1HB ARG 22 -8.097 -15.084 7.807 165 HB3 ARG 22 2HB ARG 22 -7.322 -16.131 6.617 166 HG2 ARG 22 1HG ARG 22 -5.221 -16.057 7.908 167 HG3 ARG 22 2HG ARG 22 -5.985 -15.005 9.097 168 HD2 ARG 22 1HD ARG 22 -6.997 -17.780 8.409 169 HD3 ARG 22 2HD ARG 22 -5.935 -17.428 9.773 170 HE ARG 22 HE ARG 22 -8.176 -15.691 9.946 171 HH11 ARG 22 1HH2 ARG 22 -7.333 -19.037 10.111 172 HH12 ARG 22 2HH2 ARG 22 -8.618 -19.440 11.200 173 HH21 ARG 22 1HH1 ARG 22 -9.853 -16.203 11.365 174 HH22 ARG 22 2HH1 ARG 22 -10.044 -17.836 11.909 175 H LYS 23 H LYS 23 -6.640 -11.961 5.216 176 HA LYS 23 HA LYS 23 -8.617 -12.984 3.245 177 HB2 LYS 23 1HB LYS 23 -9.001 -10.555 5.003 178 HB3 LYS 23 2HB LYS 23 -9.834 -10.730 3.457 179 HG2 LYS 23 1HG LYS 23 -10.815 -12.849 4.196 180 HG3 LYS 23 2HG LYS 23 -9.949 -12.734 5.726 181 HD2 LYS 23 1HD LYS 23 -11.129 -10.592 6.195 182 HD3 LYS 23 2HD LYS 23 -12.054 -10.808 4.708 183 HE2 LYS 23 1HE LYS 23 -12.010 -12.749 7.038 184 HE3 LYS 23 2HE LYS 23 -13.315 -11.618 6.679 185 HZ1 LYS 23 3HZ LYS 23 -12.363 -13.816 4.924 186 HZ2 LYS 23 1HZ LYS 23 -13.564 -12.693 4.507 187 HZ3 LYS 23 2HZ LYS 23 -13.826 -13.780 5.786 188 H TYR 24 H TYR 24 -8.803 -11.443 1.373 189 HA TYR 24 HA TYR 24 -6.114 -10.531 0.630 190 HB2 TYR 24 1HB TYR 24 -8.747 -10.650 -0.854 191 HB3 TYR 24 2HB TYR 24 -7.250 -10.049 -1.571 192 HD1 TYR 24 HD1 TYR 24 -5.248 -11.560 -1.719 193 HD2 TYR 24 HD2 TYR 24 -9.135 -12.994 -0.581 194 HE1 TYR 24 HE1 TYR 24 -4.529 -13.885 -2.193 195 HE2 TYR 24 HE2 TYR 24 -8.415 -15.319 -1.058 196 HH TYR 24 HH TYR 24 -6.739 -16.488 -2.387 197 H VAL 25 H VAL 25 -5.459 -8.414 0.611 198 HA VAL 25 HA VAL 25 -7.484 -6.265 0.568 199 HB VAL 25 HB VAL 25 -6.042 -5.212 2.562 200 HG11 VAL 25 1HG1 VAL 25 -7.699 -6.071 4.150 201 HG12 VAL 25 2HG1 VAL 25 -8.124 -7.369 3.035 202 HG13 VAL 25 3HG1 VAL 25 -8.480 -5.693 2.614 203 HG21 VAL 25 3HG2 VAL 25 -5.230 -6.861 4.118 204 HG22 VAL 25 1HG2 VAL 25 -4.505 -7.221 2.551 205 HG23 VAL 25 2HG2 VAL 25 -5.864 -8.181 3.138 206 HA PRO 26 HA PRO 26 -4.660 -4.070 -2.028 207 HB2 PRO 26 1HB PRO 26 -4.589 -1.890 0.029 208 HB3 PRO 26 2HB PRO 26 -4.920 -1.787 -1.709 209 HG2 PRO 26 1HG PRO 26 -6.864 -1.661 0.174 210 HG3 PRO 26 2HG PRO 26 -7.128 -2.298 -1.457 211 HD2 PRO 26 1HD PRO 26 -7.067 -3.763 1.098 212 HD3 PRO 26 2HD PRO 26 -7.695 -4.273 -0.480 213 H TYR 27 H TYR 27 -2.501 -4.418 -2.232 214 HA TYR 27 HA TYR 27 -0.740 -4.152 0.176 215 HB2 TYR 27 1HB TYR 27 -1.233 -6.547 -0.307 216 HB3 TYR 27 2HB TYR 27 -0.581 -6.329 -1.932 217 HD1 TYR 27 HD2 TYR 27 0.228 -6.464 1.662 218 HD2 TYR 27 HD1 TYR 27 1.802 -6.011 -2.309 219 HE1 TYR 27 HE2 TYR 27 2.522 -6.826 2.530 220 HE2 TYR 27 HE1 TYR 27 4.096 -6.372 -1.441 221 HH TYR 27 HH TYR 27 4.664 -7.094 2.003 222 H ALA 28 H ALA 28 0.772 -2.636 -0.246 223 HA ALA 28 HA ALA 28 2.041 -2.591 -2.939 224 HB1 ALA 28 3HB ALA 28 1.839 0.090 -2.542 225 HB2 ALA 28 1HB ALA 28 0.345 -0.437 -1.763 226 HB3 ALA 28 2HB ALA 28 0.645 -0.828 -3.455 227 H LEU 29 H LEU 29 4.146 -1.657 -2.895 228 HA LEU 29 HA LEU 29 5.325 -1.501 -0.139 229 HB2 LEU 29 1HB LEU 29 6.700 -1.945 -2.809 230 HB3 LEU 29 2HB LEU 29 7.441 -2.063 -1.213 231 HG LEU 29 HG LEU 29 5.176 -3.807 -2.229 232 HD11 LEU 29 1HD1 LEU 29 7.342 -4.275 -3.320 233 HD12 LEU 29 2HD1 LEU 29 6.870 -5.593 -2.247 234 HD13 LEU 29 3HD1 LEU 29 8.103 -4.438 -1.737 235 HD21 LEU 29 3HD2 LEU 29 6.615 -3.580 0.416 236 HD22 LEU 29 1HD2 LEU 29 5.960 -5.136 -0.099 237 HD23 LEU 29 2HD2 LEU 29 4.888 -3.753 0.102 238 H ILE 30 H ILE 30 6.086 0.426 0.536 239 HA ILE 30 HA ILE 30 6.286 2.659 -1.461 240 HB ILE 30 HB ILE 30 5.752 2.692 1.526 241 HG12 ILE 30 1HG1 ILE 30 4.030 3.606 -0.797 242 HG13 ILE 30 2HG1 ILE 30 3.882 2.021 -0.041 243 HG21 ILE 30 1HG2 ILE 30 5.398 5.180 1.063 244 HG22 ILE 30 2HG2 ILE 30 6.222 4.914 -0.474 245 HG23 ILE 30 3HG2 ILE 30 7.072 4.627 1.044 246 HD11 ILE 30 3HD1 ILE 30 3.282 2.990 2.071 247 HD12 ILE 30 1HD1 ILE 30 2.288 3.784 0.850 248 HD13 ILE 30 2HD1 ILE 30 3.698 4.610 1.516 249 H ARG 31 H ARG 31 8.250 3.544 -1.777 250 HA ARG 31 HA ARG 31 10.403 3.077 0.265 251 HB2 ARG 31 1HB ARG 31 10.567 2.752 -2.747 252 HB3 ARG 31 2HB ARG 31 11.981 2.842 -1.697 253 HG2 ARG 31 1HG ARG 31 11.188 0.880 -0.440 254 HG3 ARG 31 2HG ARG 31 9.756 0.792 -1.465 255 HD2 ARG 31 1HD ARG 31 11.205 0.451 -3.446 256 HD3 ARG 31 2HD ARG 31 12.627 0.500 -2.402 257 HE ARG 31 HE ARG 31 10.701 -1.495 -1.532 258 HH11 ARG 31 1HH2 ARG 31 13.260 -0.735 -3.722 259 HH12 ARG 31 2HH2 ARG 31 13.731 -2.386 -3.950 260 HH21 ARG 31 1HH1 ARG 31 11.303 -3.654 -1.822 261 HH22 ARG 31 2HH1 ARG 31 12.623 -4.037 -2.875 262 H LYS 32 H LYS 32 11.306 4.971 0.868 263 HA LYS 32 HA LYS 32 10.560 7.436 -0.525 264 HB2 LYS 32 1HB LYS 32 10.688 7.303 1.955 265 HB3 LYS 32 2HB LYS 32 12.424 7.021 1.832 266 HG2 LYS 32 1HG LYS 32 12.726 9.184 0.725 267 HG3 LYS 32 2HG LYS 32 10.985 9.467 0.765 268 HD2 LYS 32 1HD LYS 32 11.029 9.385 3.233 269 HD3 LYS 32 2HD LYS 32 12.773 9.118 3.190 270 HE2 LYS 32 1HE LYS 32 12.341 11.484 3.585 271 HE3 LYS 32 2HE LYS 32 13.031 11.283 1.975 272 HZ1 LYS 32 3HZ LYS 32 10.528 12.364 2.702 273 HZ2 LYS 32 1HZ LYS 32 10.286 11.013 1.707 274 HZ3 LYS 32 2HZ LYS 32 11.256 12.300 1.169 275 H VAL 33 H VAL 33 11.889 8.686 -1.796 276 HA VAL 33 HA VAL 33 14.120 7.455 -3.106 277 HB VAL 33 HB VAL 33 13.189 10.339 -3.008 278 HG11 VAL 33 1HG1 VAL 33 15.345 8.968 -4.623 279 HG12 VAL 33 2HG1 VAL 33 15.467 10.450 -3.675 280 HG13 VAL 33 3HG1 VAL 33 14.557 10.442 -5.186 281 HG21 VAL 33 3HG2 VAL 33 12.253 9.784 -5.225 282 HG22 VAL 33 1HG2 VAL 33 11.600 8.716 -3.983 283 HG23 VAL 33 2HG2 VAL 33 12.861 8.135 -5.070 284 H GLY 34 H GLY 34 16.276 7.532 -2.669 285 HA2 GLY 34 1HA GLY 34 18.275 8.634 -1.815 286 HA3 GLY 34 2HA GLY 34 17.281 9.447 -0.602 287 H VAL 35 H VAL 35 15.843 6.747 -0.213 288 HA VAL 35 HA VAL 35 17.978 5.109 1.000 289 HB VAL 35 HB VAL 35 16.753 5.141 3.234 290 HG11 VAL 35 1HG1 VAL 35 17.921 7.813 2.401 291 HG12 VAL 35 2HG1 VAL 35 18.905 6.382 2.715 292 HG13 VAL 35 3HG1 VAL 35 17.939 7.089 4.008 293 HG21 VAL 35 3HG2 VAL 35 15.636 7.768 2.231 294 HG22 VAL 35 1HG2 VAL 35 15.229 6.899 3.711 295 HG23 VAL 35 2HG2 VAL 35 14.704 6.274 2.149 296 HA PRO 36 HA PRO 36 14.153 2.921 -0.754 297 HB2 PRO 36 1HB PRO 36 16.353 1.223 -1.873 298 HB3 PRO 36 2HB PRO 36 14.890 1.837 -2.668 299 HG2 PRO 36 1HG PRO 36 17.310 2.867 -3.175 300 HG3 PRO 36 2HG PRO 36 15.848 3.870 -3.165 301 HD2 PRO 36 1HD PRO 36 18.019 3.676 -1.106 302 HD3 PRO 36 2HD PRO 36 17.033 5.075 -1.582 303 H ASP 37 H ASP 37 17.199 1.788 0.621 304 HA ASP 37 HA ASP 37 16.314 -0.770 1.527 305 HB2 ASP 37 1HB ASP 37 18.511 1.060 2.534 306 HB3 ASP 37 2HB ASP 37 18.313 -0.621 3.031 307 H ARG 38 H ARG 38 17.524 0.334 4.326 308 HA ARG 38 HA ARG 38 16.571 0.628 6.445 309 HB2 ARG 38 1HB ARG 38 14.688 2.410 4.884 310 HB3 ARG 38 2HB ARG 38 14.963 2.465 6.623 311 HG2 ARG 38 1HG ARG 38 17.137 2.909 4.555 312 HG3 ARG 38 2HG ARG 38 16.242 4.211 5.334 313 HD2 ARG 38 1HD ARG 38 16.994 3.204 7.564 314 HD3 ARG 38 2HD ARG 38 18.118 2.218 6.631 315 HE ARG 38 HE ARG 38 18.279 5.142 7.000 316 HH11 ARG 38 1HH2 ARG 38 19.342 2.281 5.362 317 HH12 ARG 38 2HH2 ARG 38 20.854 2.972 4.879 318 HH21 ARG 38 1HH1 ARG 38 20.244 6.043 6.367 319 HH22 ARG 38 2HH1 ARG 38 21.363 5.097 5.444 320 H THR 39 H THR 39 15.587 -1.517 4.705 321 HA THR 39 HA THR 39 13.999 -3.178 4.772 322 HB THR 39 HB THR 39 13.054 -1.848 7.322 323 HG1 THR 39 HG1 THR 39 15.053 -2.313 7.852 324 HG21 THR 39 3HG2 THR 39 12.242 -4.055 7.890 325 HG22 THR 39 1HG2 THR 39 12.948 -4.740 6.427 326 HG23 THR 39 2HG2 THR 39 11.593 -3.619 6.310 327 HA PRO 40 HA PRO 40 10.586 -0.991 2.804 328 HB2 PRO 40 1HB PRO 40 9.175 -3.136 1.874 329 HB3 PRO 40 2HB PRO 40 10.708 -2.612 1.146 330 HG2 PRO 40 1HG PRO 40 10.199 -4.831 3.084 331 HG3 PRO 40 2HG PRO 40 11.238 -4.808 1.647 332 HD2 PRO 40 1HD PRO 40 12.213 -4.496 4.181 333 HD3 PRO 40 2HD PRO 40 12.983 -3.763 2.758 334 H ILE 41 H ILE 41 8.362 -0.531 3.192 335 HA ILE 41 HA ILE 41 7.099 -1.913 5.534 336 HB ILE 41 HB ILE 41 7.033 1.059 4.939 337 HG12 ILE 41 1HG1 ILE 41 9.228 -0.021 5.869 338 HG13 ILE 41 2HG1 ILE 41 8.579 1.402 6.673 339 HG21 ILE 41 1HG2 ILE 41 4.993 0.481 5.989 340 HG22 ILE 41 2HG2 ILE 41 6.019 1.050 7.304 341 HG23 ILE 41 3HG2 ILE 41 5.775 -0.679 7.062 342 HD11 ILE 41 3HD1 ILE 41 7.824 -1.368 7.610 343 HD12 ILE 41 1HD1 ILE 41 7.756 0.151 8.496 344 HD13 ILE 41 2HD1 ILE 41 9.311 -0.603 8.153 345 HA PRO 42 HA PRO 42 4.302 -2.192 1.850 346 HB2 PRO 42 1HB PRO 42 3.115 -4.266 3.656 347 HB3 PRO 42 2HB PRO 42 3.535 -4.376 1.935 348 HG2 PRO 42 1HG PRO 42 5.022 -5.561 3.814 349 HG3 PRO 42 2HG PRO 42 5.753 -4.838 2.369 350 HD2 PRO 42 1HD PRO 42 5.698 -3.792 5.177 351 HD3 PRO 42 2HD PRO 42 6.967 -3.640 3.941 352 H THR 43 H THR 43 2.204 -1.345 1.634 353 HA THR 43 HA THR 43 0.902 -0.364 4.161 354 HB THR 43 HB THR 43 1.686 1.529 2.928 355 HG1 THR 43 HG1 THR 43 -0.173 2.462 3.061 356 HG21 THR 43 3HG2 THR 43 0.487 0.155 0.514 357 HG22 THR 43 1HG2 THR 43 2.183 0.545 0.791 358 HG23 THR 43 2HG2 THR 43 1.014 1.834 0.510 359 H THR 44 H THR 44 -1.187 -0.892 4.472 360 HA THR 44 HA THR 44 -2.786 -2.017 2.215 361 HB THR 44 HB THR 44 -3.528 -3.873 3.584 362 HG1 THR 44 HG1 THR 44 -1.752 -3.440 5.630 363 HG21 THR 44 3HG2 THR 44 -1.180 -3.880 2.419 364 HG22 THR 44 1HG2 THR 44 -1.589 -5.180 3.533 365 HG23 THR 44 2HG2 THR 44 -0.562 -3.851 4.066 366 H TYR 45 H TYR 45 -5.154 -2.097 2.869 367 HA TYR 45 HA TYR 45 -5.800 -0.060 4.955 368 HB2 TYR 45 1HB TYR 45 -5.860 0.750 2.471 369 HB3 TYR 45 2HB TYR 45 -7.342 -0.198 2.364 370 HD1 TYR 45 HD1 TYR 45 -5.709 2.244 4.716 371 HD2 TYR 45 HD2 TYR 45 -9.342 0.926 2.835 372 HE1 TYR 45 HE1 TYR 45 -6.951 4.076 5.828 373 HE2 TYR 45 HE2 TYR 45 -10.582 2.761 3.945 374 HH TYR 45 HH TYR 45 -9.980 5.071 4.900 375 HA PRO 46 HA PRO 46 -8.562 -3.425 6.052 376 HB2 PRO 46 1HB PRO 46 -9.983 -2.214 8.047 377 HB3 PRO 46 2HB PRO 46 -8.300 -2.741 8.253 378 HG2 PRO 46 1HG PRO 46 -9.369 -0.007 7.708 379 HG3 PRO 46 2HG PRO 46 -8.060 -0.510 8.792 380 HD2 PRO 46 1HD PRO 46 -7.618 0.555 6.293 381 HD3 PRO 46 2HD PRO 46 -6.493 -0.562 7.093 382 H GLU 47 H GLU 47 -9.709 -3.328 3.969 383 HA GLU 47 HA GLU 47 -12.463 -2.219 4.268 384 HB2 GLU 47 1HB GLU 47 -11.023 -0.681 2.856 385 HB3 GLU 47 2HB GLU 47 -10.858 -2.008 1.706 386 HG2 GLU 47 1HG GLU 47 -13.278 -2.086 1.396 387 HG3 GLU 47 2HG GLU 47 -13.498 -0.838 2.623 388 H PHE 48 H PHE 48 -10.298 -4.637 3.314 389 HA PHE 48 HA PHE 48 -10.585 -6.805 2.489 390 HB2 PHE 48 1HB PHE 48 -13.537 -6.517 3.036 391 HB3 PHE 48 2HB PHE 48 -12.513 -7.943 3.201 392 HD1 PHE 48 HD1 PHE 48 -10.517 -7.715 4.920 393 HD2 PHE 48 HD2 PHE 48 -14.058 -5.280 4.954 394 HE1 PHE 48 HE1 PHE 48 -10.114 -7.156 7.302 395 HE2 PHE 48 HE2 PHE 48 -13.654 -4.722 7.334 396 HZ PHE 48 HZ PHE 48 -11.680 -5.658 8.509 397 H TYR 49 H TYR 49 -10.476 -7.234 0.353 398 HA TYR 49 HA TYR 49 -12.736 -6.344 -1.407 399 HB2 TYR 49 1HB TYR 49 -9.795 -5.838 -1.705 400 HB3 TYR 49 2HB TYR 49 -10.728 -6.150 -3.169 401 HD1 TYR 49 HD2 TYR 49 -12.811 -4.777 -3.603 402 HD2 TYR 49 HD1 TYR 49 -9.916 -3.711 -0.620 403 HE1 TYR 49 HE2 TYR 49 -13.699 -2.464 -3.567 404 HE2 TYR 49 HE1 TYR 49 -10.800 -1.397 -0.584 405 HH TYR 49 HH TYR 49 -12.261 0.022 -1.455 406 H ASP 50 H ASP 50 -13.478 -7.885 -2.723 407 HA ASP 50 HA ASP 50 -12.344 -10.586 -2.512 408 HB2 ASP 50 1HB ASP 50 -14.782 -9.440 -3.904 409 HB3 ASP 50 2HB ASP 50 -14.347 -11.149 -3.961 410 H LEU 51 H LEU 51 -12.390 -7.932 -4.781 411 HA LEU 51 HA LEU 51 -11.347 -9.658 -6.967 412 HB2 LEU 51 1HB LEU 51 -12.434 -6.856 -6.789 413 HB3 LEU 51 2HB LEU 51 -11.446 -7.314 -8.172 414 HG LEU 51 HG LEU 51 -13.968 -7.591 -8.449 415 HD11 LEU 51 1HD1 LEU 51 -13.727 -9.429 -9.863 416 HD12 LEU 51 2HD1 LEU 51 -12.641 -10.276 -8.767 417 HD13 LEU 51 3HD1 LEU 51 -12.055 -8.901 -9.702 418 HD21 LEU 51 3HD2 LEU 51 -15.086 -9.380 -7.366 419 HD22 LEU 51 1HD2 LEU 51 -14.206 -8.532 -6.097 420 HD23 LEU 51 2HD2 LEU 51 -13.577 -10.046 -6.744 421 H GLU 52 H GLU 52 -9.279 -9.828 -7.339 422 HA GLU 52 HA GLU 52 -7.287 -8.488 -5.753 423 HB2 GLU 52 1HB GLU 52 -7.227 -10.791 -7.039 424 HB3 GLU 52 2HB GLU 52 -6.668 -9.814 -8.394 425 HG2 GLU 52 1HG GLU 52 -4.661 -10.441 -7.337 426 HG3 GLU 52 2HG GLU 52 -4.959 -8.830 -6.684 427 H ALA 53 H ALA 53 -8.667 -7.941 -8.941 428 HA ALA 53 HA ALA 53 -6.769 -6.084 -9.953 429 HB1 ALA 53 3HB ALA 53 -8.795 -5.236 -11.271 430 HB2 ALA 53 1HB ALA 53 -9.745 -6.438 -10.388 431 HB3 ALA 53 2HB ALA 53 -8.421 -6.952 -11.437 432 H ASP 54 H ASP 54 -9.752 -5.533 -8.072 433 HA ASP 54 HA ASP 54 -9.502 -2.688 -7.961 434 HB2 ASP 54 1HB ASP 54 -11.545 -4.134 -7.399 435 HB3 ASP 54 2HB ASP 54 -10.787 -4.412 -5.831 436 H ALA 55 H ALA 55 -8.200 -5.292 -5.974 437 HA ALA 55 HA ALA 55 -7.302 -3.759 -3.765 438 HB1 ALA 55 3HB ALA 55 -7.308 -6.263 -3.920 439 HB2 ALA 55 1HB ALA 55 -5.778 -5.608 -3.342 440 HB3 ALA 55 2HB ALA 55 -5.926 -6.159 -5.010 441 H GLU 56 H GLU 56 -5.733 -4.476 -6.882 442 HA GLU 56 HA GLU 56 -3.248 -3.185 -6.298 443 HB2 GLU 56 1HB GLU 56 -4.701 -3.667 -8.913 444 HB3 GLU 56 2HB GLU 56 -3.053 -3.046 -8.811 445 HG2 GLU 56 1HG GLU 56 -2.326 -5.062 -7.637 446 HG3 GLU 56 2HG GLU 56 -3.980 -5.676 -7.616 447 H ARG 57 H ARG 57 -6.162 -1.999 -7.998 448 HA ARG 57 HA ARG 57 -5.185 0.648 -8.435 449 HB2 ARG 57 1HB ARG 57 -7.198 -0.448 -9.532 450 HB3 ARG 57 2HB ARG 57 -8.074 -0.171 -8.030 451 HG2 ARG 57 1HG ARG 57 -8.645 1.836 -8.996 452 HG3 ARG 57 2HG ARG 57 -7.039 2.345 -8.477 453 HD2 ARG 57 1HD ARG 57 -7.739 1.177 -11.193 454 HD3 ARG 57 2HD ARG 57 -7.393 2.874 -10.854 455 HE ARG 57 HE ARG 57 -5.130 1.629 -9.940 456 HH11 ARG 57 1HH2 ARG 57 -6.998 1.427 -12.837 457 HH12 ARG 57 2HH2 ARG 57 -5.639 1.049 -13.842 458 HH21 ARG 57 1HH1 ARG 57 -3.349 1.132 -11.236 459 HH22 ARG 57 2HH1 ARG 57 -3.574 0.884 -12.935 460 H VAL 58 H VAL 58 -7.137 -0.748 -5.802 461 HA VAL 58 HA VAL 58 -7.488 1.697 -4.362 462 HB VAL 58 HB VAL 58 -7.486 -1.195 -3.456 463 HG11 VAL 58 1HG1 VAL 58 -8.081 1.365 -1.958 464 HG12 VAL 58 2HG1 VAL 58 -7.003 0.053 -1.482 465 HG13 VAL 58 3HG1 VAL 58 -8.751 -0.187 -1.454 466 HG21 VAL 58 3HG2 VAL 58 -9.258 -0.292 -5.077 467 HG22 VAL 58 1HG2 VAL 58 -9.801 0.732 -3.747 468 HG23 VAL 58 2HG2 VAL 58 -9.863 -1.024 -3.590 469 H SER 59 H SER 59 -4.994 -0.843 -4.187 470 HA SER 59 HA SER 59 -3.564 0.072 -1.952 471 HB2 SER 59 1HB SER 59 -2.373 -0.996 -4.532 472 HB3 SER 59 2HB SER 59 -1.606 -1.002 -2.946 473 HG SER 59 HG SER 59 -3.178 -2.833 -3.972 474 H ILE 60 H ILE 60 -3.345 1.189 -5.337 475 HA ILE 60 HA ILE 60 -1.230 3.064 -4.883 476 HB ILE 60 HB ILE 60 -3.468 3.004 -6.930 477 HG12 ILE 60 1HG1 ILE 60 -0.519 2.359 -7.225 478 HG13 ILE 60 2HG1 ILE 60 -1.745 1.138 -6.881 479 HG21 ILE 60 1HG2 ILE 60 -1.885 4.558 -8.199 480 HG22 ILE 60 2HG2 ILE 60 -1.053 4.806 -6.663 481 HG23 ILE 60 3HG2 ILE 60 -2.743 5.278 -6.837 482 HD11 ILE 60 3HD1 ILE 60 -1.879 3.018 -9.251 483 HD12 ILE 60 1HD1 ILE 60 -2.903 1.615 -8.943 484 HD13 ILE 60 2HD1 ILE 60 -1.197 1.394 -9.335 485 H ALA 61 H ALA 61 -4.780 3.419 -4.812 486 HA ALA 61 HA ALA 61 -4.791 6.219 -4.203 487 HB1 ALA 61 3HB ALA 61 -7.129 5.739 -3.383 488 HB2 ALA 61 1HB ALA 61 -6.811 4.025 -3.658 489 HB3 ALA 61 2HB ALA 61 -6.802 5.151 -5.013 490 H CYS 62 H CYS 62 -5.072 3.345 -2.103 491 HA CYS 62 HA CYS 62 -5.218 4.759 0.366 492 HB2 CYS 62 1HB CYS 62 -4.106 2.004 -0.256 493 HB3 CYS 62 2HB CYS 62 -4.463 2.601 1.365 494 HG CYS 62 HG CYS 62 -6.646 2.111 -0.822 495 H ALA 63 H ALA 63 -2.451 3.462 -1.458 496 HA ALA 63 HA ALA 63 -0.376 3.967 0.336 497 HB1 ALA 63 3HB ALA 63 1.056 4.290 -1.663 498 HB2 ALA 63 1HB ALA 63 -0.391 4.445 -2.661 499 HB3 ALA 63 2HB ALA 63 -0.033 2.917 -1.859 500 H LYS 64 H LYS 64 -1.976 6.261 -1.870 501 HA LYS 64 HA LYS 64 -0.321 8.508 -1.248 502 HB2 LYS 64 1HB LYS 64 -3.225 8.350 -2.112 503 HB3 LYS 64 2HB LYS 64 -2.294 9.848 -2.045 504 HG2 LYS 64 1HG LYS 64 -0.670 8.931 -3.648 505 HG3 LYS 64 2HG LYS 64 -1.569 7.413 -3.704 506 HD2 LYS 64 1HD LYS 64 -3.552 8.623 -4.549 507 HD3 LYS 64 2HD LYS 64 -2.641 10.132 -4.514 508 HE2 LYS 64 1HE LYS 64 -1.024 9.206 -6.124 509 HE3 LYS 64 2HE LYS 64 -1.914 7.684 -6.148 510 HZ1 LYS 64 3HZ LYS 64 -2.500 9.129 -8.012 511 HZ2 LYS 64 1HZ LYS 64 -3.024 10.326 -6.930 512 HZ3 LYS 64 2HZ LYS 64 -3.837 8.836 -7.004 513 H ILE 65 H ILE 65 -3.361 7.327 0.200 514 HA ILE 65 HA ILE 65 -3.618 9.457 2.109 515 HB ILE 65 HB ILE 65 -4.719 6.645 1.920 516 HG12 ILE 65 1HG1 ILE 65 -6.897 8.097 1.925 517 HG13 ILE 65 2HG1 ILE 65 -5.817 9.447 1.585 518 HG21 ILE 65 1HG2 ILE 65 -4.950 8.582 4.221 519 HG22 ILE 65 2HG2 ILE 65 -4.587 6.859 4.267 520 HG23 ILE 65 3HG2 ILE 65 -6.221 7.405 3.893 521 HD11 ILE 65 3HD1 ILE 65 -6.717 8.461 -0.493 522 HD12 ILE 65 1HD1 ILE 65 -6.023 6.904 -0.053 523 HD13 ILE 65 2HD1 ILE 65 -4.969 8.269 -0.411 524 H ILE 66 H ILE 66 -2.156 6.207 2.369 525 HA ILE 66 HA ILE 66 -1.445 6.447 5.124 526 HB ILE 66 HB ILE 66 -0.434 4.751 2.831 527 HG12 ILE 66 1HG1 ILE 66 -1.280 2.944 4.516 528 HG13 ILE 66 2HG1 ILE 66 -2.075 4.285 5.336 529 HG21 ILE 66 1HG2 ILE 66 0.849 3.484 4.687 530 HG22 ILE 66 2HG2 ILE 66 0.712 4.981 5.610 531 HG23 ILE 66 3HG2 ILE 66 1.566 4.973 4.069 532 HD11 ILE 66 3HD1 ILE 66 -3.264 4.856 3.247 533 HD12 ILE 66 1HD1 ILE 66 -3.589 3.191 3.723 534 HD13 ILE 66 2HD1 ILE 66 -2.448 3.527 2.424 535 H ILE 67 H ILE 67 0.386 7.224 2.155 536 HA ILE 67 HA ILE 67 2.783 8.031 3.492 537 HB ILE 67 HB ILE 67 1.557 8.891 0.853 538 HG12 ILE 67 1HG1 ILE 67 3.921 7.072 1.372 539 HG13 ILE 67 2HG1 ILE 67 2.269 6.458 1.264 540 HG21 ILE 67 1HG2 ILE 67 3.982 9.572 0.366 541 HG22 ILE 67 2HG2 ILE 67 4.237 9.504 2.110 542 HG23 ILE 67 3HG2 ILE 67 3.067 10.638 1.433 543 HD11 ILE 67 3HD1 ILE 67 3.452 8.205 -0.899 544 HD12 ILE 67 1HD1 ILE 67 2.038 7.156 -0.990 545 HD13 ILE 67 2HD1 ILE 67 3.654 6.453 -0.909 546 H ASP 68 H ASP 68 -0.090 9.869 2.453 547 HA ASP 68 HA ASP 68 0.825 12.419 3.385 548 HB2 ASP 68 1HB ASP 68 -1.033 12.195 1.806 549 HB3 ASP 68 2HB ASP 68 -1.989 11.343 3.018 550 H SER 69 H SER 69 -1.183 9.897 4.889 551 HA SER 69 HA SER 69 -1.688 11.299 7.326 552 HB2 SER 69 1HB SER 69 -1.627 8.354 6.641 553 HB3 SER 69 2HB SER 69 -2.082 8.952 8.234 554 HG SER 69 HG SER 69 -3.886 9.753 7.431 555 H HIS 70 H HIS 70 0.972 9.199 6.287 556 HA HIS 70 HA HIS 70 2.224 8.837 8.801 557 HB2 HIS 70 1HB HIS 70 3.036 7.582 6.928 558 HB3 HIS 70 2HB HIS 70 3.343 9.042 5.990 559 HD1 HIS 70 HD1 HIS 70 4.382 8.165 9.559 560 HD2 HIS 70 HD2 HIS 70 6.098 9.233 5.913 561 HE1 HIS 70 HE1 HIS 70 6.864 8.444 9.987 562 H LEU 71 H LEU 71 2.784 11.400 6.363 563 HA LEU 71 HA LEU 71 4.650 12.848 7.987 564 HB2 LEU 71 1HB LEU 71 2.885 13.719 5.683 565 HB3 LEU 71 2HB LEU 71 4.149 14.727 6.385 566 HG LEU 71 HG LEU 71 4.635 11.950 5.265 567 HD11 LEU 71 1HD1 LEU 71 3.893 13.413 3.473 568 HD12 LEU 71 2HD1 LEU 71 5.632 13.165 3.324 569 HD13 LEU 71 3HD1 LEU 71 5.008 14.674 3.992 570 HD21 LEU 71 3HD2 LEU 71 6.464 12.375 6.658 571 HD22 LEU 71 1HD2 LEU 71 6.380 14.121 6.421 572 HD23 LEU 71 2HD2 LEU 71 7.037 13.086 5.154 573 H ASP 72 H ASP 72 1.136 13.171 7.530 574 HA ASP 72 HA ASP 72 1.037 15.375 9.495 575 HB2 ASP 72 1HB ASP 72 -1.060 13.980 7.814 576 HB3 ASP 72 2HB ASP 72 -1.446 15.242 8.985 577 H ARG 73 H ARG 73 -0.885 12.387 9.146 578 HA ARG 73 HA ARG 73 -1.755 12.302 11.828 579 HB2 ARG 73 1HB ARG 73 -2.483 10.931 9.686 580 HB3 ARG 73 2HB ARG 73 -1.329 9.745 10.296 581 HG2 ARG 73 1HG ARG 73 -2.540 9.955 12.552 582 HG3 ARG 73 2HG ARG 73 -3.800 10.819 11.674 583 HD2 ARG 73 1HD ARG 73 -2.817 8.024 11.024 584 HD3 ARG 73 2HD ARG 73 -4.321 8.401 11.863 585 HE ARG 73 HE ARG 73 -3.807 8.744 8.984 586 HH11 ARG 73 1HH2 ARG 73 -5.731 9.492 11.754 587 HH12 ARG 73 2HH2 ARG 73 -7.139 9.888 10.827 588 HH21 ARG 73 1HH1 ARG 73 -5.636 9.258 7.766 589 HH22 ARG 73 2HH1 ARG 73 -7.085 9.757 8.572 590 H HIS 74 H HIS 74 -0.906 9.382 12.150 591 HA HIS 74 HA HIS 74 1.194 9.839 14.047 592 HB2 HIS 74 1HB HIS 74 0.262 7.245 12.782 593 HB3 HIS 74 2HB HIS 74 1.246 7.381 14.239 594 HD1 HIS 74 HD1 HIS 74 0.014 9.068 16.136 595 HD2 HIS 74 HD2 HIS 74 -2.416 7.082 13.391 596 HE1 HIS 74 HE1 HIS 74 -2.321 9.060 17.118 597 H ASP 75 H ASP 75 3.398 9.404 13.919 598 HA ASP 75 HA ASP 75 4.520 9.265 11.176 599 HB2 ASP 75 1HB ASP 75 6.677 9.771 12.350 600 HB3 ASP 75 2HB ASP 75 5.431 10.987 12.637 601 H GLN 76 H GLN 76 3.480 7.061 13.322 602 HA GLN 76 HA GLN 76 5.680 5.255 13.623 603 HB2 GLN 76 1HB GLN 76 3.572 5.116 14.939 604 HB3 GLN 76 2HB GLN 76 2.706 4.644 13.479 605 HG2 GLN 76 1HG GLN 76 3.279 2.663 14.813 606 HG3 GLN 76 2HG GLN 76 4.153 2.639 13.282 607 HE21 GLN 76 2HE2 GLN 76 4.772 4.296 16.434 608 HE22 GLN 76 1HE2 GLN 76 6.359 3.716 16.590 609 H GLY 77 H GLY 77 3.184 5.598 11.111 610 HA2 GLY 77 1HA GLY 77 3.961 3.249 9.639 611 HA3 GLY 77 2HA GLY 77 2.994 4.578 9.006 612 H LEU 78 H LEU 78 5.370 3.032 7.898 613 HA LEU 78 HA LEU 78 7.278 3.489 6.616 614 HB2 LEU 78 1HB LEU 78 6.244 6.335 6.550 615 HB3 LEU 78 2HB LEU 78 7.203 5.501 5.327 616 HG LEU 78 HG LEU 78 4.336 4.894 6.103 617 HD11 LEU 78 1HD1 LEU 78 3.924 5.464 3.705 618 HD12 LEU 78 2HD1 LEU 78 5.618 5.931 3.558 619 HD13 LEU 78 3HD1 LEU 78 4.546 6.826 4.636 620 HD21 LEU 78 3HD2 LEU 78 6.313 3.417 4.359 621 HD22 LEU 78 1HD2 LEU 78 4.573 3.266 4.107 622 HD23 LEU 78 2HD2 LEU 78 5.288 2.776 5.642 623 H ALA 79 H ALA 79 7.184 4.092 9.630 624 HA ALA 79 HA ALA 79 8.911 6.305 10.178 625 HB1 ALA 79 3HB ALA 79 9.363 5.040 12.329 626 HB2 ALA 79 1HB ALA 79 8.372 3.731 11.684 627 HB3 ALA 79 2HB ALA 79 7.657 5.315 11.981 628 H ASP 80 H ASP 80 9.553 2.899 9.424 629 HA ASP 80 HA ASP 80 12.358 2.933 9.959 630 HB2 ASP 80 1HB ASP 80 10.653 1.282 8.084 631 HB3 ASP 80 2HB ASP 80 12.384 1.008 8.272 632 H LEU 81 H LEU 81 10.473 3.795 7.085 633 HA LEU 81 HA LEU 81 12.881 4.290 5.488 634 HB2 LEU 81 1HB LEU 81 10.029 5.126 4.894 635 HB3 LEU 81 2HB LEU 81 11.350 4.931 3.741 636 HG LEU 81 HG LEU 81 10.125 2.706 5.402 637 HD11 LEU 81 1HD1 LEU 81 9.822 3.543 2.514 638 HD12 LEU 81 2HD1 LEU 81 8.556 3.290 3.714 639 HD13 LEU 81 3HD1 LEU 81 9.439 1.910 3.063 640 HD21 LEU 81 3HD2 LEU 81 12.368 2.065 5.023 641 HD22 LEU 81 1HD2 LEU 81 12.413 2.823 3.432 642 HD23 LEU 81 2HD2 LEU 81 11.508 1.328 3.673 643 H GLY 82 H GLY 82 11.364 5.948 7.953 644 HA2 GLY 82 1HA GLY 82 12.936 8.234 7.870 645 HA3 GLY 82 2HA GLY 82 11.525 8.645 6.896 Start of MODEL 5 1 H1 MET 1 1H MET 1 6.042 5.633 -14.731 2 H2 MET 1 2H MET 1 7.617 5.956 -15.280 3 H3 MET 1 3H MET 1 7.376 5.015 -13.885 4 HA MET 1 HA MET 1 6.461 4.223 -16.597 5 HB2 MET 1 1HB MET 1 8.933 3.472 -15.017 6 HB3 MET 1 2HB MET 1 8.360 2.574 -16.421 7 HG2 MET 1 1HG MET 1 8.541 4.613 -17.799 8 HG3 MET 1 2HG MET 1 9.123 5.507 -16.396 9 HE1 MET 1 3HE MET 1 12.345 5.297 -18.434 10 HE2 MET 1 1HE MET 1 11.409 6.275 -17.295 11 HE3 MET 1 2HE MET 1 10.683 5.746 -18.810 12 H ASN 2 H ASN 2 7.844 2.427 -13.885 13 HA ASN 2 HA ASN 2 5.459 0.676 -13.850 14 HB2 ASN 2 1HB ASN 2 8.039 0.521 -12.268 15 HB3 ASN 2 2HB ASN 2 6.808 -0.736 -12.366 16 HD21 ASN 2 2HD2 ASN 2 9.793 -0.200 -13.490 17 HD22 ASN 2 1HD2 ASN 2 9.680 -0.864 -15.049 18 H VAL 3 H VAL 3 7.455 1.939 -11.170 19 HA VAL 3 HA VAL 3 5.121 2.020 -9.428 20 HB VAL 3 HB VAL 3 6.759 3.026 -7.782 21 HG11 VAL 3 1HG1 VAL 3 7.290 0.407 -9.193 22 HG12 VAL 3 2HG1 VAL 3 6.436 0.681 -7.678 23 HG13 VAL 3 3HG1 VAL 3 8.181 0.884 -7.748 24 HG21 VAL 3 3HG2 VAL 3 8.734 2.436 -10.009 25 HG22 VAL 3 1HG2 VAL 3 9.120 3.032 -8.395 26 HG23 VAL 3 2HG2 VAL 3 8.233 4.056 -9.523 27 H ALA 4 H ALA 4 4.170 3.873 -8.506 28 HA ALA 4 HA ALA 4 4.324 6.278 -10.231 29 HB1 ALA 4 3HB ALA 4 2.438 5.441 -8.016 30 HB2 ALA 4 1HB ALA 4 2.103 5.460 -9.747 31 HB3 ALA 4 2HB ALA 4 2.320 6.977 -8.874 32 H HIS 5 H HIS 5 4.663 8.383 -9.328 33 HA HIS 5 HA HIS 5 6.333 8.361 -6.847 34 HB2 HIS 5 1HB HIS 5 6.112 10.330 -9.135 35 HB3 HIS 5 2HB HIS 5 7.113 10.583 -7.705 36 HD1 HIS 5 HD1 HIS 5 8.747 10.473 -10.144 37 HD2 HIS 5 HD2 HIS 5 7.553 6.962 -8.240 38 HE1 HIS 5 HE1 HIS 5 10.357 8.666 -10.892 39 H TYR 6 H TYR 6 5.554 9.294 -5.041 40 HA TYR 6 HA TYR 6 3.488 11.419 -5.270 41 HB2 TYR 6 1HB TYR 6 2.319 9.219 -4.999 42 HB3 TYR 6 2HB TYR 6 3.167 9.004 -3.467 43 HD1 TYR 6 HD1 TYR 6 0.991 11.426 -5.306 44 HD2 TYR 6 HD2 TYR 6 2.264 9.922 -1.490 45 HE1 TYR 6 HE1 TYR 6 -0.713 12.834 -4.185 46 HE2 TYR 6 HE2 TYR 6 0.559 11.332 -0.368 47 HH TYR 6 HH TYR 6 -1.777 12.377 -1.168 48 H ARG 7 H ARG 7 4.152 13.065 -4.057 49 HA ARG 7 HA ARG 7 5.291 14.304 -2.439 50 HB2 ARG 7 1HB ARG 7 4.729 11.865 -0.724 51 HB3 ARG 7 2HB ARG 7 5.077 13.493 -0.145 52 HG2 ARG 7 1HG ARG 7 2.741 12.922 -1.979 53 HG3 ARG 7 2HG ARG 7 2.597 12.796 -0.230 54 HD2 ARG 7 1HD ARG 7 3.429 15.169 -0.063 55 HD3 ARG 7 2HD ARG 7 3.349 15.262 -1.820 56 HE ARG 7 HE ARG 7 0.858 14.439 -0.485 57 HH11 ARG 7 1HH2 ARG 7 2.801 16.934 -1.877 58 HH12 ARG 7 2HH2 ARG 7 1.466 18.004 -2.137 59 HH21 ARG 7 1HH1 ARG 7 -0.880 15.828 -0.812 60 HH22 ARG 7 2HH1 ARG 7 -0.615 17.381 -1.532 61 H GLY 8 H GLY 8 6.799 12.329 -4.121 62 HA2 GLY 8 1HA GLY 8 9.160 12.093 -4.324 63 HA3 GLY 8 2HA GLY 8 9.333 12.559 -2.633 64 H TYR 9 H TYR 9 6.906 10.291 -2.826 65 HA TYR 9 HA TYR 9 8.797 8.088 -2.078 66 HB2 TYR 9 1HB TYR 9 5.927 8.625 -1.285 67 HB3 TYR 9 2HB TYR 9 6.784 7.130 -0.908 68 HD1 TYR 9 HD2 TYR 9 6.780 10.804 -0.387 69 HD2 TYR 9 HD1 TYR 9 8.436 7.035 0.822 70 HE1 TYR 9 HE2 TYR 9 7.834 11.899 1.574 71 HE2 TYR 9 HE1 TYR 9 9.491 8.126 2.782 72 HH TYR 9 HH TYR 9 10.207 10.956 3.144 73 H GLU 10 H GLU 10 8.678 6.146 -3.137 74 HA GLU 10 HA GLU 10 7.118 6.085 -5.638 75 HB2 GLU 10 1HB GLU 10 9.173 4.223 -4.423 76 HB3 GLU 10 2HB GLU 10 8.368 3.906 -5.961 77 HG2 GLU 10 1HG GLU 10 9.227 6.010 -6.873 78 HG3 GLU 10 2HG GLU 10 9.978 6.394 -5.324 79 H ILE 11 H ILE 11 5.489 4.587 -6.078 80 HA ILE 11 HA ILE 11 4.513 2.945 -3.763 81 HB ILE 11 HB ILE 11 2.899 4.468 -5.826 82 HG12 ILE 11 1HG1 ILE 11 2.984 4.737 -2.809 83 HG13 ILE 11 2HG1 ILE 11 3.949 5.739 -3.894 84 HG21 ILE 11 1HG2 ILE 11 0.986 3.636 -4.330 85 HG22 ILE 11 2HG2 ILE 11 2.142 2.472 -3.681 86 HG23 ILE 11 3HG2 ILE 11 1.723 2.438 -5.394 87 HD11 ILE 11 3HD1 ILE 11 1.713 6.728 -3.159 88 HD12 ILE 11 1HD1 ILE 11 0.947 5.492 -4.156 89 HD13 ILE 11 2HD1 ILE 11 2.005 6.693 -4.898 90 H GLU 12 H GLU 12 4.224 0.832 -4.208 91 HA GLU 12 HA GLU 12 4.350 -0.032 -7.067 92 HB2 GLU 12 1HB GLU 12 6.275 -0.703 -5.592 93 HB3 GLU 12 2HB GLU 12 5.122 -1.650 -4.647 94 HG2 GLU 12 1HG GLU 12 6.021 -3.202 -6.205 95 HG3 GLU 12 2HG GLU 12 4.457 -2.758 -6.879 96 HA PRO 13 HA PRO 13 0.201 -1.448 -5.871 97 HB2 PRO 13 1HB PRO 13 -0.721 -2.080 -8.337 98 HB3 PRO 13 2HB PRO 13 -0.529 -0.396 -7.810 99 HG2 PRO 13 1HG PRO 13 1.257 -2.055 -9.538 100 HG3 PRO 13 2HG PRO 13 0.767 -0.360 -9.725 101 HD2 PRO 13 1HD PRO 13 3.182 -1.135 -8.651 102 HD3 PRO 13 2HD PRO 13 2.383 0.407 -8.255 103 H GLY 14 H GLY 14 -0.906 -3.489 -5.738 104 HA2 GLY 14 1HA GLY 14 -0.237 -5.868 -7.055 105 HA3 GLY 14 2HA GLY 14 0.831 -5.783 -5.654 106 H HIS 15 H HIS 15 -0.417 -7.760 -4.987 107 HA HIS 15 HA HIS 15 -2.676 -6.949 -3.259 108 HB2 HIS 15 1HB HIS 15 -4.104 -8.807 -4.108 109 HB3 HIS 15 2HB HIS 15 -3.810 -7.577 -5.338 110 HD1 HIS 15 HD1 HIS 15 -1.705 -8.171 -7.011 111 HD2 HIS 15 HD2 HIS 15 -3.406 -11.358 -4.929 112 HE1 HIS 15 HE1 HIS 15 -0.983 -10.279 -8.214 113 H GLN 16 H GLN 16 -2.906 -8.348 -1.468 114 HA GLN 16 HA GLN 16 -1.571 -10.918 -1.354 115 HB2 GLN 16 1HB GLN 16 0.414 -9.470 -1.132 116 HB3 GLN 16 2HB GLN 16 -0.347 -8.634 0.221 117 HG2 GLN 16 1HG GLN 16 -0.359 -10.649 1.555 118 HG3 GLN 16 2HG GLN 16 0.188 -11.616 0.183 119 HE21 GLN 16 2HE2 GLN 16 2.379 -12.050 0.262 120 HE22 GLN 16 1HE2 GLN 16 3.554 -11.044 0.960 121 H TYR 17 H TYR 17 -1.978 -12.002 0.669 122 HA TYR 17 HA TYR 17 -4.231 -10.794 2.209 123 HB2 TYR 17 1HB TYR 17 -4.891 -13.069 2.742 124 HB3 TYR 17 2HB TYR 17 -4.676 -12.934 0.998 125 HD1 TYR 17 HD1 TYR 17 -2.628 -13.839 -0.096 126 HD2 TYR 17 HD2 TYR 17 -3.426 -14.437 4.084 127 HE1 TYR 17 HE1 TYR 17 -0.945 -15.660 -0.034 128 HE2 TYR 17 HE2 TYR 17 -1.743 -16.255 4.145 129 HH TYR 17 HH TYR 17 0.572 -16.686 2.140 130 H ARG 18 H ARG 18 -4.024 -10.467 4.371 131 HA ARG 18 HA ARG 18 -1.362 -11.066 5.557 132 HB2 ARG 18 1HB ARG 18 -3.637 -9.272 6.442 133 HB3 ARG 18 2HB ARG 18 -2.165 -9.527 7.385 134 HG2 ARG 18 1HG ARG 18 -0.798 -8.696 5.528 135 HG3 ARG 18 2HG ARG 18 -2.237 -8.508 4.528 136 HD2 ARG 18 1HD ARG 18 -1.617 -6.345 5.471 137 HD3 ARG 18 2HD ARG 18 -3.138 -6.879 6.180 138 HE ARG 18 HE ARG 18 -2.031 -7.163 8.267 139 HH11 ARG 18 1HH2 ARG 18 0.159 -6.528 5.668 140 HH12 ARG 18 2HH2 ARG 18 1.502 -6.202 6.712 141 HH21 ARG 18 1HH1 ARG 18 -0.292 -6.730 9.628 142 HH22 ARG 18 2HH1 ARG 18 1.248 -6.315 8.950 143 H ASP 19 H ASP 19 -1.092 -12.439 7.237 144 HA ASP 19 HA ASP 19 -3.065 -14.457 7.792 145 HB2 ASP 19 1HB ASP 19 -0.555 -14.700 7.928 146 HB3 ASP 19 2HB ASP 19 -0.606 -13.740 9.405 147 H ASP 20 H ASP 20 -2.369 -11.353 9.159 148 HA ASP 20 HA ASP 20 -3.419 -11.709 11.791 149 HB2 ASP 20 1HB ASP 20 -3.255 -9.304 9.968 150 HB3 ASP 20 2HB ASP 20 -3.840 -9.202 11.629 151 H ILE 21 H ILE 21 -4.995 -10.705 8.756 152 HA ILE 21 HA ILE 21 -7.665 -11.168 10.051 153 HB ILE 21 HB ILE 21 -8.584 -9.610 8.361 154 HG12 ILE 21 1HG1 ILE 21 -5.686 -9.124 7.591 155 HG13 ILE 21 2HG1 ILE 21 -6.831 -10.045 6.615 156 HG21 ILE 21 1HG2 ILE 21 -7.714 -8.820 10.597 157 HG22 ILE 21 2HG2 ILE 21 -7.726 -7.580 9.343 158 HG23 ILE 21 3HG2 ILE 21 -6.214 -8.372 9.786 159 HD11 ILE 21 3HD1 ILE 21 -8.297 -8.080 6.444 160 HD12 ILE 21 1HD1 ILE 21 -6.682 -7.695 5.850 161 HD13 ILE 21 2HD1 ILE 21 -7.186 -7.150 7.448 162 H ARG 22 H ARG 22 -5.445 -12.551 8.087 163 HA ARG 22 HA ARG 22 -5.520 -14.104 6.322 164 HB2 ARG 22 1HB ARG 22 -7.941 -14.829 7.993 165 HB3 ARG 22 2HB ARG 22 -7.336 -15.838 6.676 166 HG2 ARG 22 1HG ARG 22 -5.143 -15.983 7.777 167 HG3 ARG 22 2HG ARG 22 -5.723 -14.957 9.088 168 HD2 ARG 22 1HD ARG 22 -7.429 -16.631 9.663 169 HD3 ARG 22 2HD ARG 22 -6.890 -17.650 8.330 170 HE ARG 22 HE ARG 22 -4.955 -18.236 9.591 171 HH11 ARG 22 1HH2 ARG 22 -6.843 -15.762 11.090 172 HH12 ARG 22 2HH2 ARG 22 -6.001 -15.861 12.599 173 HH21 ARG 22 1HH1 ARG 22 -3.860 -18.372 11.549 174 HH22 ARG 22 2HH1 ARG 22 -4.314 -17.334 12.859 175 H LYS 23 H LYS 23 -6.607 -11.617 5.538 176 HA LYS 23 HA LYS 23 -8.604 -12.538 3.523 177 HB2 LYS 23 1HB LYS 23 -8.802 -10.124 5.327 178 HB3 LYS 23 2HB LYS 23 -9.690 -10.222 3.805 179 HG2 LYS 23 1HG LYS 23 -9.865 -12.486 5.797 180 HG3 LYS 23 2HG LYS 23 -10.840 -11.037 6.029 181 HD2 LYS 23 1HD LYS 23 -11.795 -11.314 3.763 182 HD3 LYS 23 2HD LYS 23 -10.843 -12.777 3.537 183 HE2 LYS 23 1HE LYS 23 -11.961 -13.810 5.475 184 HE3 LYS 23 2HE LYS 23 -12.930 -12.350 5.685 185 HZ1 LYS 23 3HZ LYS 23 -13.826 -14.348 4.295 186 HZ2 LYS 23 1HZ LYS 23 -12.890 -13.657 3.060 187 HZ3 LYS 23 2HZ LYS 23 -14.123 -12.750 3.797 188 H TYR 24 H TYR 24 -8.681 -11.160 1.623 189 HA TYR 24 HA TYR 24 -5.992 -10.201 0.921 190 HB2 TYR 24 1HB TYR 24 -8.547 -10.619 -0.622 191 HB3 TYR 24 2HB TYR 24 -7.100 -9.917 -1.349 192 HD1 TYR 24 HD2 TYR 24 -8.459 -12.934 0.347 193 HD2 TYR 24 HD1 TYR 24 -5.208 -11.270 -1.914 194 HE1 TYR 24 HE2 TYR 24 -7.504 -15.203 0.048 195 HE2 TYR 24 HE1 TYR 24 -4.252 -13.537 -2.210 196 HH TYR 24 HH TYR 24 -4.999 -16.096 -0.404 197 H VAL 25 H VAL 25 -5.435 -8.154 1.235 198 HA VAL 25 HA VAL 25 -7.505 -6.020 0.925 199 HB VAL 25 HB VAL 25 -6.250 -4.816 2.795 200 HG11 VAL 25 1HG1 VAL 25 -7.467 -7.447 3.654 201 HG12 VAL 25 2HG1 VAL 25 -8.439 -6.108 3.051 202 HG13 VAL 25 3HG1 VAL 25 -7.490 -5.912 4.522 203 HG21 VAL 25 3HG2 VAL 25 -5.162 -7.598 3.291 204 HG22 VAL 25 1HG2 VAL 25 -4.845 -6.151 4.249 205 HG23 VAL 25 2HG2 VAL 25 -4.218 -6.277 2.606 206 HA PRO 26 HA PRO 26 -4.876 -3.980 -1.974 207 HB2 PRO 26 1HB PRO 26 -4.782 -1.648 -0.088 208 HB3 PRO 26 2HB PRO 26 -5.181 -1.683 -1.817 209 HG2 PRO 26 1HG PRO 26 -7.053 -1.480 0.155 210 HG3 PRO 26 2HG PRO 26 -7.372 -2.196 -1.434 211 HD2 PRO 26 1HD PRO 26 -7.212 -3.529 1.178 212 HD3 PRO 26 2HD PRO 26 -7.840 -4.154 -0.356 213 H TYR 27 H TYR 27 -2.814 -4.764 -2.044 214 HA TYR 27 HA TYR 27 -0.991 -4.241 0.281 215 HB2 TYR 27 1HB TYR 27 -1.432 -6.624 -0.286 216 HB3 TYR 27 2HB TYR 27 -0.757 -6.335 -1.890 217 HD1 TYR 27 HD1 TYR 27 -0.019 -6.528 1.714 218 HD2 TYR 27 HD2 TYR 27 1.626 -5.972 -2.213 219 HE1 TYR 27 HE1 TYR 27 2.261 -6.847 2.626 220 HE2 TYR 27 HE2 TYR 27 3.909 -6.292 -1.302 221 HH TYR 27 HH TYR 27 4.421 -7.098 2.127 222 H ALA 28 H ALA 28 0.499 -2.699 -0.082 223 HA ALA 28 HA ALA 28 1.738 -2.506 -2.785 224 HB1 ALA 28 3HB ALA 28 -0.048 -0.490 -1.554 225 HB2 ALA 28 1HB ALA 28 0.428 -0.679 -3.239 226 HB3 ALA 28 2HB ALA 28 1.486 0.173 -2.118 227 H LEU 29 H LEU 29 3.799 -1.447 -2.727 228 HA LEU 29 HA LEU 29 5.043 -1.401 0.007 229 HB2 LEU 29 1HB LEU 29 6.357 -1.858 -2.686 230 HB3 LEU 29 2HB LEU 29 7.136 -1.973 -1.110 231 HG LEU 29 HG LEU 29 4.827 -3.703 -2.046 232 HD11 LEU 29 1HD1 LEU 29 7.716 -4.485 -1.583 233 HD12 LEU 29 2HD1 LEU 29 7.064 -4.088 -3.173 234 HD13 LEU 29 3HD1 LEU 29 6.435 -5.475 -2.283 235 HD21 LEU 29 3HD2 LEU 29 6.394 -3.499 0.528 236 HD22 LEU 29 1HD2 LEU 29 5.678 -5.037 0.047 237 HD23 LEU 29 2HD2 LEU 29 4.649 -3.635 0.299 238 H ILE 30 H ILE 30 5.923 0.472 0.663 239 HA ILE 30 HA ILE 30 6.129 2.718 -1.313 240 HB ILE 30 HB ILE 30 5.634 2.769 1.675 241 HG12 ILE 30 1HG1 ILE 30 3.911 3.743 -0.618 242 HG13 ILE 30 2HG1 ILE 30 3.729 2.151 0.116 243 HG21 ILE 30 1HG2 ILE 30 6.979 4.673 1.205 244 HG22 ILE 30 2HG2 ILE 30 5.323 5.275 1.148 245 HG23 ILE 30 3HG2 ILE 30 6.193 4.943 -0.350 246 HD11 ILE 30 3HD1 ILE 30 3.669 4.689 1.755 247 HD12 ILE 30 1HD1 ILE 30 3.127 3.079 2.223 248 HD13 ILE 30 2HD1 ILE 30 2.214 4.004 1.031 249 H ARG 31 H ARG 31 8.122 3.572 -1.614 250 HA ARG 31 HA ARG 31 10.258 2.956 0.399 251 HB2 ARG 31 1HB ARG 31 10.428 1.415 -1.548 252 HB3 ARG 31 2HB ARG 31 10.564 2.815 -2.613 253 HG2 ARG 31 1HG ARG 31 12.594 3.537 -1.434 254 HG3 ARG 31 2HG ARG 31 12.448 2.172 -0.325 255 HD2 ARG 31 1HD ARG 31 12.775 1.936 -3.329 256 HD3 ARG 31 2HD ARG 31 14.074 1.731 -2.153 257 HE ARG 31 HE ARG 31 12.048 -0.235 -2.792 258 HH11 ARG 31 1HH2 ARG 31 14.002 1.096 -0.277 259 HH12 ARG 31 2HH2 ARG 31 14.027 -0.364 0.653 260 HH21 ARG 31 1HH1 ARG 31 12.070 -2.138 -1.590 261 HH22 ARG 31 2HH1 ARG 31 12.932 -2.195 -0.089 262 H LYS 32 H LYS 32 11.561 4.657 0.860 263 HA LYS 32 HA LYS 32 10.833 7.268 -0.229 264 HB2 LYS 32 1HB LYS 32 11.414 6.942 2.168 265 HB3 LYS 32 2HB LYS 32 13.062 6.534 1.687 266 HG2 LYS 32 1HG LYS 32 13.345 8.736 0.664 267 HG3 LYS 32 2HG LYS 32 11.672 9.150 1.038 268 HD2 LYS 32 1HD LYS 32 12.159 8.925 3.450 269 HD3 LYS 32 2HD LYS 32 13.837 8.532 3.070 270 HE2 LYS 32 1HE LYS 32 13.631 10.918 3.631 271 HE3 LYS 32 2HE LYS 32 14.083 10.723 1.937 272 HZ1 LYS 32 3HZ LYS 32 12.001 12.189 2.829 273 HZ2 LYS 32 1HZ LYS 32 11.241 10.737 2.393 274 HZ3 LYS 32 2HZ LYS 32 12.162 11.588 1.249 275 H VAL 33 H VAL 33 11.923 8.395 -1.760 276 HA VAL 33 HA VAL 33 14.036 7.027 -3.254 277 HB VAL 33 HB VAL 33 12.686 9.710 -3.611 278 HG11 VAL 33 1HG1 VAL 33 14.670 8.206 -5.332 279 HG12 VAL 33 2HG1 VAL 33 14.835 9.836 -4.679 280 HG13 VAL 33 3HG1 VAL 33 13.653 9.507 -5.946 281 HG21 VAL 33 3HG2 VAL 33 11.153 7.864 -3.924 282 HG22 VAL 33 1HG2 VAL 33 12.329 6.996 -4.911 283 HG23 VAL 33 2HG2 VAL 33 11.593 8.479 -5.517 284 H GLY 34 H GLY 34 16.189 7.414 -3.060 285 HA2 GLY 34 1HA GLY 34 17.917 9.287 -2.889 286 HA3 GLY 34 2HA GLY 34 17.077 9.765 -1.416 287 H VAL 35 H VAL 35 16.617 7.348 -0.175 288 HA VAL 35 HA VAL 35 19.375 6.614 0.578 289 HB VAL 35 HB VAL 35 18.312 5.475 2.489 290 HG11 VAL 35 1HG1 VAL 35 18.826 7.811 2.769 291 HG12 VAL 35 2HG1 VAL 35 17.227 7.541 3.461 292 HG13 VAL 35 3HG1 VAL 35 17.387 8.290 1.872 293 HG21 VAL 35 3HG2 VAL 35 16.266 4.672 1.520 294 HG22 VAL 35 1HG2 VAL 35 15.787 6.296 1.030 295 HG23 VAL 35 2HG2 VAL 35 15.804 5.861 2.739 296 HA PRO 36 HA PRO 36 19.613 2.717 -1.586 297 HB2 PRO 36 1HB PRO 36 20.238 1.455 1.065 298 HB3 PRO 36 2HB PRO 36 21.116 1.342 -0.474 299 HG2 PRO 36 1HG PRO 36 21.986 2.872 1.539 300 HG3 PRO 36 2HG PRO 36 22.199 3.341 -0.158 301 HD2 PRO 36 1HD PRO 36 20.332 4.467 1.877 302 HD3 PRO 36 2HD PRO 36 21.054 5.231 0.445 303 H ASP 37 H ASP 37 19.002 0.194 -0.870 304 HA ASP 37 HA ASP 37 16.084 0.289 -0.602 305 HB2 ASP 37 1HB ASP 37 17.185 -1.212 -2.234 306 HB3 ASP 37 2HB ASP 37 17.950 -2.080 -0.903 307 H ARG 38 H ARG 38 15.695 0.888 1.548 308 HA ARG 38 HA ARG 38 16.911 -0.684 3.735 309 HB2 ARG 38 1HB ARG 38 15.021 1.680 3.724 310 HB3 ARG 38 2HB ARG 38 15.618 0.901 5.191 311 HG2 ARG 38 1HG ARG 38 17.934 1.387 4.532 312 HG3 ARG 38 2HG ARG 38 17.365 2.119 3.032 313 HD2 ARG 38 1HD ARG 38 17.818 3.888 4.634 314 HD3 ARG 38 2HD ARG 38 16.076 3.782 4.389 315 HE ARG 38 HE ARG 38 16.854 2.137 6.612 316 HH11 ARG 38 1HH2 ARG 38 16.451 5.413 5.600 317 HH12 ARG 38 2HH2 ARG 38 16.099 5.996 7.192 318 HH21 ARG 38 1HH1 ARG 38 16.404 2.888 8.688 319 HH22 ARG 38 2HH1 ARG 38 16.072 4.570 8.938 320 H THR 39 H THR 39 15.501 -1.621 5.408 321 HA THR 39 HA THR 39 13.781 -3.555 4.487 322 HB THR 39 HB THR 39 13.320 -2.149 7.113 323 HG1 THR 39 HG1 THR 39 14.904 -4.176 7.441 324 HG21 THR 39 3HG2 THR 39 11.676 -3.863 6.581 325 HG22 THR 39 1HG2 THR 39 12.768 -4.493 7.815 326 HG23 THR 39 2HG2 THR 39 12.953 -4.996 6.135 327 HA PRO 40 HA PRO 40 10.454 -0.720 3.176 328 HB2 PRO 40 1HB PRO 40 9.135 -2.422 1.511 329 HB3 PRO 40 2HB PRO 40 10.650 -1.622 1.052 330 HG2 PRO 40 1HG PRO 40 10.197 -4.416 1.987 331 HG3 PRO 40 2HG PRO 40 11.302 -3.807 0.741 332 HD2 PRO 40 1HD PRO 40 12.077 -4.457 3.322 333 HD3 PRO 40 2HD PRO 40 12.968 -3.329 2.274 334 H ILE 41 H ILE 41 8.187 -0.528 3.617 335 HA ILE 41 HA ILE 41 7.108 -2.643 5.430 336 HB ILE 41 HB ILE 41 6.491 0.303 5.606 337 HG12 ILE 41 1HG1 ILE 41 7.941 -0.151 7.825 338 HG13 ILE 41 2HG1 ILE 41 8.676 -1.386 6.813 339 HG21 ILE 41 1HG2 ILE 41 4.798 -1.315 6.482 340 HG22 ILE 41 2HG2 ILE 41 5.516 -0.336 7.762 341 HG23 ILE 41 3HG2 ILE 41 6.039 -2.004 7.528 342 HD11 ILE 41 3HD1 ILE 41 8.875 1.562 6.644 343 HD12 ILE 41 1HD1 ILE 41 8.722 0.739 5.093 344 HD13 ILE 41 2HD1 ILE 41 10.040 0.325 6.180 345 HA PRO 42 HA PRO 42 3.901 -2.651 2.276 346 HB2 PRO 42 1HB PRO 42 2.142 -4.371 3.488 347 HB3 PRO 42 2HB PRO 42 3.638 -4.904 2.698 348 HG2 PRO 42 1HG PRO 42 3.073 -4.507 5.598 349 HG3 PRO 42 2HG PRO 42 4.015 -5.776 4.793 350 HD2 PRO 42 1HD PRO 42 5.160 -3.615 6.047 351 HD3 PRO 42 2HD PRO 42 5.928 -4.485 4.695 352 H THR 43 H THR 43 1.884 -1.683 1.911 353 HA THR 43 HA THR 43 0.669 -0.240 4.247 354 HB THR 43 HB THR 43 1.610 1.459 2.925 355 HG1 THR 43 HG1 THR 43 -0.810 1.352 1.566 356 HG21 THR 43 3HG2 THR 43 2.407 0.421 0.987 357 HG22 THR 43 1HG2 THR 43 1.093 1.414 0.357 358 HG23 THR 43 2HG2 THR 43 0.845 -0.312 0.614 359 H THR 44 H THR 44 -1.423 -0.672 4.595 360 HA THR 44 HA THR 44 -3.112 -1.710 2.374 361 HB THR 44 HB THR 44 -3.953 -3.527 3.730 362 HG1 THR 44 HG1 THR 44 -3.368 -2.118 5.718 363 HG21 THR 44 3HG2 THR 44 -2.068 -4.932 3.679 364 HG22 THR 44 1HG2 THR 44 -0.971 -3.625 4.121 365 HG23 THR 44 2HG2 THR 44 -1.673 -3.680 2.505 366 H TYR 45 H TYR 45 -5.463 -1.703 3.064 367 HA TYR 45 HA TYR 45 -5.984 0.390 5.117 368 HB2 TYR 45 1HB TYR 45 -5.972 1.171 2.622 369 HB3 TYR 45 2HB TYR 45 -7.531 0.357 2.535 370 HD1 TYR 45 HD1 TYR 45 -5.671 2.670 4.838 371 HD2 TYR 45 HD2 TYR 45 -9.427 1.655 3.013 372 HE1 TYR 45 HE1 TYR 45 -6.732 4.614 5.942 373 HE2 TYR 45 HE2 TYR 45 -10.487 3.608 4.119 374 HH TYR 45 HH TYR 45 -8.568 5.841 6.130 375 HA PRO 46 HA PRO 46 -8.968 -2.602 6.687 376 HB2 PRO 46 1HB PRO 46 -10.630 -0.121 7.075 377 HB3 PRO 46 2HB PRO 46 -10.313 -1.450 8.209 378 HG2 PRO 46 1HG PRO 46 -9.043 0.875 8.434 379 HG3 PRO 46 2HG PRO 46 -8.216 -0.660 8.757 380 HD2 PRO 46 1HD PRO 46 -7.910 1.180 6.426 381 HD3 PRO 46 2HD PRO 46 -6.742 0.048 7.152 382 H GLU 47 H GLU 47 -9.300 -3.347 4.418 383 HA GLU 47 HA GLU 47 -12.017 -3.391 3.640 384 HB2 GLU 47 1HB GLU 47 -11.709 -2.112 1.412 385 HB3 GLU 47 2HB GLU 47 -11.941 -1.142 2.863 386 HG2 GLU 47 1HG GLU 47 -9.606 -0.659 3.019 387 HG3 GLU 47 2HG GLU 47 -9.200 -1.866 1.803 388 H PHE 48 H PHE 48 -12.247 -5.146 2.329 389 HA PHE 48 HA PHE 48 -9.791 -6.211 0.985 390 HB2 PHE 48 1HB PHE 48 -11.212 -8.444 1.229 391 HB3 PHE 48 2HB PHE 48 -10.236 -7.850 2.571 392 HD1 PHE 48 HD1 PHE 48 -13.690 -7.625 1.123 393 HD2 PHE 48 HD2 PHE 48 -11.232 -7.387 4.640 394 HE1 PHE 48 HE1 PHE 48 -15.723 -7.444 2.535 395 HE2 PHE 48 HE2 PHE 48 -13.260 -7.204 6.047 396 HZ PHE 48 HZ PHE 48 -15.508 -7.235 4.997 397 H TYR 49 H TYR 49 -10.246 -7.521 -0.949 398 HA TYR 49 HA TYR 49 -12.810 -6.874 -2.327 399 HB2 TYR 49 1HB TYR 49 -10.050 -6.151 -3.347 400 HB3 TYR 49 2HB TYR 49 -11.487 -6.181 -4.368 401 HD1 TYR 49 HD2 TYR 49 -13.392 -4.641 -3.893 402 HD2 TYR 49 HD1 TYR 49 -9.670 -4.388 -1.773 403 HE1 TYR 49 HE2 TYR 49 -14.001 -2.373 -3.099 404 HE2 TYR 49 HE1 TYR 49 -10.276 -2.120 -0.974 405 HH TYR 49 HH TYR 49 -11.747 -0.455 -1.116 406 H ASP 50 H ASP 50 -9.752 -8.613 -2.246 407 HA ASP 50 HA ASP 50 -9.340 -10.870 -2.790 408 HB2 ASP 50 1HB ASP 50 -11.998 -11.014 -2.398 409 HB3 ASP 50 2HB ASP 50 -12.006 -11.211 -4.153 410 H LEU 51 H LEU 51 -10.489 -8.455 -4.948 411 HA LEU 51 HA LEU 51 -9.445 -9.917 -7.321 412 HB2 LEU 51 1HB LEU 51 -11.210 -7.529 -6.893 413 HB3 LEU 51 2HB LEU 51 -10.379 -7.714 -8.433 414 HG LEU 51 HG LEU 51 -12.720 -8.705 -8.304 415 HD11 LEU 51 1HD1 LEU 51 -12.205 -10.436 -9.780 416 HD12 LEU 51 2HD1 LEU 51 -10.783 -10.939 -8.873 417 HD13 LEU 51 3HD1 LEU 51 -10.730 -9.482 -9.861 418 HD21 LEU 51 3HD2 LEU 51 -12.307 -9.593 -5.958 419 HD22 LEU 51 1HD2 LEU 51 -11.401 -10.899 -6.713 420 HD23 LEU 51 2HD2 LEU 51 -13.110 -10.691 -7.071 421 H GLU 52 H GLU 52 -7.520 -9.553 -8.053 422 HA GLU 52 HA GLU 52 -5.664 -7.754 -6.829 423 HB2 GLU 52 1HB GLU 52 -4.790 -9.684 -7.935 424 HB3 GLU 52 2HB GLU 52 -5.659 -9.312 -9.420 425 HG2 GLU 52 1HG GLU 52 -3.643 -7.335 -8.367 426 HG3 GLU 52 2HG GLU 52 -3.081 -8.761 -9.235 427 H ALA 53 H ALA 53 -7.812 -7.469 -9.607 428 HA ALA 53 HA ALA 53 -6.671 -5.135 -10.793 429 HB1 ALA 53 3HB ALA 53 -9.151 -4.790 -11.537 430 HB2 ALA 53 1HB ALA 53 -9.434 -6.336 -10.726 431 HB3 ALA 53 2HB ALA 53 -8.304 -6.239 -12.082 432 H ASP 54 H ASP 54 -9.351 -5.427 -8.457 433 HA ASP 54 HA ASP 54 -9.564 -2.568 -8.040 434 HB2 ASP 54 1HB ASP 54 -11.349 -4.384 -7.625 435 HB3 ASP 54 2HB ASP 54 -10.497 -4.698 -6.114 436 H ALA 55 H ALA 55 -7.908 -5.216 -6.399 437 HA ALA 55 HA ALA 55 -7.104 -3.856 -4.039 438 HB1 ALA 55 3HB ALA 55 -6.847 -6.338 -4.645 439 HB2 ALA 55 1HB ALA 55 -5.506 -5.597 -3.773 440 HB3 ALA 55 2HB ALA 55 -5.389 -5.855 -5.514 441 H GLU 56 H GLU 56 -5.423 -4.156 -7.177 442 HA GLU 56 HA GLU 56 -3.148 -2.576 -6.442 443 HB2 GLU 56 1HB GLU 56 -4.428 -3.205 -9.106 444 HB3 GLU 56 2HB GLU 56 -2.935 -2.279 -8.967 445 HG2 GLU 56 1HG GLU 56 -1.864 -4.152 -7.794 446 HG3 GLU 56 2HG GLU 56 -3.367 -5.070 -7.863 447 H ARG 57 H ARG 57 -6.199 -1.694 -8.082 448 HA ARG 57 HA ARG 57 -5.534 1.067 -8.459 449 HB2 ARG 57 1HB ARG 57 -8.175 -0.378 -8.196 450 HB3 ARG 57 2HB ARG 57 -8.061 1.342 -8.569 451 HG2 ARG 57 1HG ARG 57 -6.723 0.836 -10.569 452 HG3 ARG 57 2HG ARG 57 -6.782 -0.884 -10.184 453 HD2 ARG 57 1HD ARG 57 -9.219 -0.885 -10.426 454 HD3 ARG 57 2HD ARG 57 -9.207 0.851 -10.728 455 HE ARG 57 HE ARG 57 -8.371 0.440 -12.917 456 HH11 ARG 57 1HH2 ARG 57 -8.425 -2.396 -10.950 457 HH12 ARG 57 2HH2 ARG 57 -8.127 -3.473 -12.272 458 HH21 ARG 57 1HH1 ARG 57 -7.983 -0.949 -14.642 459 HH22 ARG 57 2HH1 ARG 57 -7.876 -2.654 -14.362 460 H VAL 58 H VAL 58 -7.282 -0.593 -5.841 461 HA VAL 58 HA VAL 58 -7.766 1.794 -4.297 462 HB VAL 58 HB VAL 58 -7.620 -1.121 -3.493 463 HG11 VAL 58 1HG1 VAL 58 -7.238 0.138 -1.500 464 HG12 VAL 58 2HG1 VAL 58 -8.957 -0.256 -1.490 465 HG13 VAL 58 3HG1 VAL 58 -8.425 1.358 -1.958 466 HG21 VAL 58 3HG2 VAL 58 -10.056 0.646 -3.774 467 HG22 VAL 58 1HG2 VAL 58 -9.991 -1.112 -3.678 468 HG23 VAL 58 2HG2 VAL 58 -9.418 -0.287 -5.128 469 H SER 59 H SER 59 -5.219 -0.675 -4.252 470 HA SER 59 HA SER 59 -3.789 0.196 -1.980 471 HB2 SER 59 1HB SER 59 -1.861 -0.919 -2.978 472 HB3 SER 59 2HB SER 59 -3.304 -1.879 -3.277 473 HG SER 59 HG SER 59 -1.893 -1.484 -5.139 474 H ILE 60 H ILE 60 -3.618 1.370 -5.341 475 HA ILE 60 HA ILE 60 -1.445 3.195 -4.901 476 HB ILE 60 HB ILE 60 -3.712 3.200 -6.908 477 HG12 ILE 60 1HG1 ILE 60 -0.779 2.552 -7.296 478 HG13 ILE 60 2HG1 ILE 60 -1.986 1.324 -6.910 479 HG21 ILE 60 1HG2 ILE 60 -1.313 5.012 -6.613 480 HG22 ILE 60 2HG2 ILE 60 -3.002 5.459 -6.854 481 HG23 ILE 60 3HG2 ILE 60 -2.080 4.748 -8.178 482 HD11 ILE 60 3HD1 ILE 60 -3.291 2.068 -8.929 483 HD12 ILE 60 1HD1 ILE 60 -1.712 1.385 -9.319 484 HD13 ILE 60 2HD1 ILE 60 -1.949 3.133 -9.345 485 H ALA 61 H ALA 61 -4.987 3.638 -4.767 486 HA ALA 61 HA ALA 61 -4.856 6.439 -4.086 487 HB1 ALA 61 3HB ALA 61 -7.016 4.364 -3.641 488 HB2 ALA 61 1HB ALA 61 -6.909 5.500 -4.987 489 HB3 ALA 61 2HB ALA 61 -7.232 6.090 -3.356 490 H CYS 62 H CYS 62 -5.134 3.472 -2.163 491 HA CYS 62 HA CYS 62 -5.313 4.807 0.385 492 HB2 CYS 62 1HB CYS 62 -4.427 2.013 -0.370 493 HB3 CYS 62 2HB CYS 62 -4.669 2.556 1.289 494 HG CYS 62 HG CYS 62 -7.032 2.652 -0.761 495 H ALA 63 H ALA 63 -2.614 3.534 -1.530 496 HA ALA 63 HA ALA 63 -0.525 3.789 0.345 497 HB1 ALA 63 3HB ALA 63 0.915 4.270 -1.698 498 HB2 ALA 63 1HB ALA 63 -0.573 4.272 -2.643 499 HB3 ALA 63 2HB ALA 63 -0.063 2.805 -1.805 500 H LYS 64 H LYS 64 -1.836 6.235 -1.886 501 HA LYS 64 HA LYS 64 -0.118 8.370 -1.066 502 HB2 LYS 64 1HB LYS 64 -2.928 8.392 -2.200 503 HB3 LYS 64 2HB LYS 64 -1.916 9.829 -2.035 504 HG2 LYS 64 1HG LYS 64 -0.213 8.814 -3.487 505 HG3 LYS 64 2HG LYS 64 -1.190 7.352 -3.627 506 HD2 LYS 64 1HD LYS 64 -3.018 8.697 -4.641 507 HD3 LYS 64 2HD LYS 64 -1.983 10.125 -4.564 508 HE2 LYS 64 1HE LYS 64 -1.256 7.574 -6.032 509 HE3 LYS 64 2HE LYS 64 -1.945 9.002 -6.805 510 HZ1 LYS 64 3HZ LYS 64 0.538 8.839 -6.861 511 HZ2 LYS 64 1HZ LYS 64 0.532 9.078 -5.182 512 HZ3 LYS 64 2HZ LYS 64 -0.073 10.285 -6.213 513 H ILE 65 H ILE 65 -3.313 7.316 0.093 514 HA ILE 65 HA ILE 65 -3.663 9.454 1.976 515 HB ILE 65 HB ILE 65 -4.803 6.647 1.916 516 HG12 ILE 65 1HG1 ILE 65 -6.101 9.309 1.272 517 HG13 ILE 65 2HG1 ILE 65 -5.346 8.292 0.047 518 HG21 ILE 65 1HG2 ILE 65 -4.976 7.373 4.187 519 HG22 ILE 65 2HG2 ILE 65 -6.543 7.725 3.460 520 HG23 ILE 65 3HG2 ILE 65 -5.373 9.023 3.704 521 HD11 ILE 65 3HD1 ILE 65 -7.480 7.235 1.908 522 HD12 ILE 65 1HD1 ILE 65 -6.906 6.529 0.397 523 HD13 ILE 65 2HD1 ILE 65 -7.874 8.002 0.370 524 H ILE 66 H ILE 66 -2.261 6.192 2.308 525 HA ILE 66 HA ILE 66 -1.777 6.361 5.130 526 HB ILE 66 HB ILE 66 -0.356 4.801 2.957 527 HG12 ILE 66 1HG1 ILE 66 -2.718 4.209 3.283 528 HG13 ILE 66 2HG1 ILE 66 -1.669 2.910 3.832 529 HG21 ILE 66 1HG2 ILE 66 1.215 4.911 4.737 530 HG22 ILE 66 2HG2 ILE 66 0.390 3.367 4.943 531 HG23 ILE 66 3HG2 ILE 66 -0.044 4.741 5.961 532 HD11 ILE 66 3HD1 ILE 66 -3.081 3.001 5.650 533 HD12 ILE 66 1HD1 ILE 66 -3.457 4.704 5.406 534 HD13 ILE 66 2HD1 ILE 66 -1.946 4.236 6.176 535 H ILE 67 H ILE 67 0.252 7.217 2.324 536 HA ILE 67 HA ILE 67 2.562 7.974 3.834 537 HB ILE 67 HB ILE 67 1.496 8.923 1.163 538 HG12 ILE 67 1HG1 ILE 67 3.813 7.069 1.755 539 HG13 ILE 67 2HG1 ILE 67 2.170 6.483 1.500 540 HG21 ILE 67 1HG2 ILE 67 3.957 9.602 0.836 541 HG22 ILE 67 2HG2 ILE 67 4.091 9.509 2.592 542 HG23 ILE 67 3HG2 ILE 67 2.967 10.649 1.853 543 HD11 ILE 67 3HD1 ILE 67 3.742 8.171 -0.473 544 HD12 ILE 67 1HD1 ILE 67 2.119 7.528 -0.724 545 HD13 ILE 67 2HD1 ILE 67 3.493 6.430 -0.598 546 H ASP 68 H ASP 68 -0.178 9.914 2.610 547 HA ASP 68 HA ASP 68 0.708 12.391 3.767 548 HB2 ASP 68 1HB ASP 68 -1.993 11.390 2.865 549 HB3 ASP 68 2HB ASP 68 -1.753 13.018 3.496 550 H SER 69 H SER 69 -1.542 9.888 4.894 551 HA SER 69 HA SER 69 -2.296 11.190 7.328 552 HB2 SER 69 1HB SER 69 -3.627 9.340 6.633 553 HB3 SER 69 2HB SER 69 -2.220 8.290 6.492 554 HG SER 69 HG SER 69 -3.084 9.486 8.919 555 H HIS 70 H HIS 70 0.332 8.935 6.551 556 HA HIS 70 HA HIS 70 1.332 8.571 9.186 557 HB2 HIS 70 1HB HIS 70 2.103 7.249 7.245 558 HB3 HIS 70 2HB HIS 70 2.879 8.689 6.583 559 HD1 HIS 70 HD1 HIS 70 2.900 7.033 10.028 560 HD2 HIS 70 HD2 HIS 70 5.547 8.624 7.230 561 HE1 HIS 70 HE1 HIS 70 5.213 6.832 11.036 562 H LEU 71 H LEU 71 1.948 11.126 6.809 563 HA LEU 71 HA LEU 71 4.029 12.454 8.257 564 HB2 LEU 71 1HB LEU 71 1.982 13.459 6.279 565 HB3 LEU 71 2HB LEU 71 3.284 14.467 6.904 566 HG LEU 71 HG LEU 71 3.715 11.805 5.519 567 HD11 LEU 71 1HD1 LEU 71 4.115 14.574 4.354 568 HD12 LEU 71 2HD1 LEU 71 2.682 13.591 4.057 569 HD13 LEU 71 3HD1 LEU 71 4.261 13.027 3.519 570 HD21 LEU 71 3HD2 LEU 71 5.691 12.167 6.700 571 HD22 LEU 71 1HD2 LEU 71 5.523 13.922 6.663 572 HD23 LEU 71 2HD2 LEU 71 6.058 13.055 5.227 573 H ASP 72 H ASP 72 0.492 12.879 8.308 574 HA ASP 72 HA ASP 72 0.764 14.893 10.478 575 HB2 ASP 72 1HB ASP 72 -1.599 13.861 8.903 576 HB3 ASP 72 2HB ASP 72 -1.738 15.029 10.218 577 H ARG 73 H ARG 73 0.281 11.533 10.123 578 HA ARG 73 HA ARG 73 -0.995 11.299 12.825 579 HB2 ARG 73 1HB ARG 73 -2.021 10.146 10.780 580 HB3 ARG 73 2HB ARG 73 -0.610 9.087 10.799 581 HG2 ARG 73 1HG ARG 73 -1.125 8.448 13.132 582 HG3 ARG 73 2HG ARG 73 -2.547 9.489 13.097 583 HD2 ARG 73 1HD ARG 73 -3.405 8.142 11.156 584 HD3 ARG 73 2HD ARG 73 -2.050 7.038 11.383 585 HE ARG 73 HE ARG 73 -3.579 7.451 13.824 586 HH11 ARG 73 1HH2 ARG 73 -3.337 5.725 10.844 587 HH12 ARG 73 2HH2 ARG 73 -4.244 4.364 11.413 588 HH21 ARG 73 1HH1 ARG 73 -4.758 5.690 14.572 589 HH22 ARG 73 2HH1 ARG 73 -5.048 4.343 13.521 590 H HIS 74 H HIS 74 1.704 10.104 10.845 591 HA HIS 74 HA HIS 74 3.719 9.095 11.452 592 HB2 HIS 74 1HB HIS 74 3.155 10.749 13.933 593 HB3 HIS 74 2HB HIS 74 4.648 9.840 13.707 594 HD1 HIS 74 HD1 HIS 74 5.870 10.392 11.270 595 HD2 HIS 74 HD2 HIS 74 3.271 13.270 12.799 596 HE1 HIS 74 HE1 HIS 74 6.411 12.554 10.069 597 H ASP 75 H ASP 75 2.455 7.083 11.360 598 HA ASP 75 HA ASP 75 1.760 5.860 13.968 599 HB2 ASP 75 1HB ASP 75 0.708 4.116 12.674 600 HB3 ASP 75 2HB ASP 75 0.253 5.655 11.946 601 H GLN 76 H GLN 76 4.567 6.418 12.729 602 HA GLN 76 HA GLN 76 6.652 5.395 13.177 603 HB2 GLN 76 1HB GLN 76 5.110 3.934 14.830 604 HB3 GLN 76 2HB GLN 76 5.431 2.683 13.634 605 HG2 GLN 76 1HG GLN 76 7.540 4.302 15.091 606 HG3 GLN 76 2HG GLN 76 7.099 2.632 15.447 607 HE21 GLN 76 2HE2 GLN 76 9.511 4.263 14.001 608 HE22 GLN 76 1HE2 GLN 76 9.908 3.194 12.744 609 H GLY 77 H GLY 77 4.199 4.058 11.140 610 HA2 GLY 77 1HA GLY 77 5.793 2.246 9.611 611 HA3 GLY 77 2HA GLY 77 4.301 3.000 9.056 612 H LEU 78 H LEU 78 6.695 2.514 7.511 613 HA LEU 78 HA LEU 78 7.982 3.586 5.884 614 HB2 LEU 78 1HB LEU 78 6.433 6.101 6.543 615 HB3 LEU 78 2HB LEU 78 7.223 5.684 5.026 616 HG LEU 78 HG LEU 78 4.796 4.335 6.237 617 HD11 LEU 78 1HD1 LEU 78 3.632 5.194 4.304 618 HD12 LEU 78 2HD1 LEU 78 5.138 5.776 3.594 619 HD13 LEU 78 3HD1 LEU 78 4.496 6.539 5.048 620 HD21 LEU 78 3HD2 LEU 78 4.885 3.091 3.957 621 HD22 LEU 78 1HD2 LEU 78 5.986 2.557 5.226 622 HD23 LEU 78 2HD2 LEU 78 6.579 3.578 3.917 623 H ALA 79 H ALA 79 7.973 4.557 9.120 624 HA ALA 79 HA ALA 79 9.878 6.706 9.059 625 HB1 ALA 79 3HB ALA 79 9.548 4.629 11.234 626 HB2 ALA 79 1HB ALA 79 8.474 6.016 11.043 627 HB3 ALA 79 2HB ALA 79 10.182 6.265 11.410 628 H ASP 80 H ASP 80 10.194 3.194 9.020 629 HA ASP 80 HA ASP 80 13.017 3.065 9.511 630 HB2 ASP 80 1HB ASP 80 11.108 1.228 8.055 631 HB3 ASP 80 2HB ASP 80 12.804 0.826 8.319 632 H LEU 81 H LEU 81 11.242 4.216 6.833 633 HA LEU 81 HA LEU 81 13.324 3.646 4.832 634 HB2 LEU 81 1HB LEU 81 10.893 5.458 4.701 635 HB3 LEU 81 2HB LEU 81 11.881 4.959 3.328 636 HG LEU 81 HG LEU 81 10.339 3.073 5.134 637 HD11 LEU 81 1HD1 LEU 81 9.749 4.141 2.359 638 HD12 LEU 81 2HD1 LEU 81 8.784 4.379 3.814 639 HD13 LEU 81 3HD1 LEU 81 8.902 2.776 3.087 640 HD21 LEU 81 3HD2 LEU 81 12.088 1.778 4.254 641 HD22 LEU 81 1HD2 LEU 81 12.150 2.700 2.750 642 HD23 LEU 81 2HD2 LEU 81 10.839 1.559 3.035 643 H GLY 82 H GLY 82 12.984 5.829 7.340 644 HA2 GLY 82 1HA GLY 82 15.220 7.431 6.415 645 HA3 GLY 82 2HA GLY 82 13.707 8.339 6.396 Start of MODEL 6 1 H1 MET 1 1H MET 1 9.349 0.526 -12.180 2 H2 MET 1 2H MET 1 10.489 0.187 -13.392 3 H3 MET 1 3H MET 1 9.221 -0.903 -13.084 4 HA MET 1 HA MET 1 8.912 1.853 -14.149 5 HB2 MET 1 1HB MET 1 8.694 -0.884 -15.432 6 HB3 MET 1 2HB MET 1 8.147 0.608 -16.198 7 HG2 MET 1 1HG MET 1 10.449 1.531 -15.977 8 HG3 MET 1 2HG MET 1 10.980 -0.009 -15.305 9 HE1 MET 1 3HE MET 1 9.485 -2.297 -17.113 10 HE2 MET 1 1HE MET 1 11.053 -2.106 -16.317 11 HE3 MET 1 2HE MET 1 10.974 -2.508 -18.029 12 H ASN 2 H ASN 2 7.556 -0.962 -12.660 13 HA ASN 2 HA ASN 2 4.772 -0.215 -13.274 14 HB2 ASN 2 1HB ASN 2 5.468 -2.600 -13.091 15 HB3 ASN 2 2HB ASN 2 5.884 -2.330 -11.399 16 HD21 ASN 2 2HD2 ASN 2 3.112 -2.223 -13.678 17 HD22 ASN 2 1HD2 ASN 2 1.928 -2.488 -12.492 18 H VAL 3 H VAL 3 7.113 0.853 -11.141 19 HA VAL 3 HA VAL 3 5.344 1.239 -8.821 20 HB VAL 3 HB VAL 3 7.295 2.448 -7.862 21 HG11 VAL 3 1HG1 VAL 3 7.055 -0.026 -7.684 22 HG12 VAL 3 2HG1 VAL 3 8.741 0.492 -7.687 23 HG13 VAL 3 3HG1 VAL 3 8.027 -0.199 -9.145 24 HG21 VAL 3 3HG2 VAL 3 8.510 1.824 -10.571 25 HG22 VAL 3 1HG2 VAL 3 9.434 2.365 -9.171 26 HG23 VAL 3 2HG2 VAL 3 8.221 3.424 -9.890 27 H ALA 4 H ALA 4 4.610 3.283 -8.086 28 HA ALA 4 HA ALA 4 4.635 5.468 -10.154 29 HB1 ALA 4 3HB ALA 4 2.456 4.854 -8.134 30 HB2 ALA 4 1HB ALA 4 2.416 4.349 -9.824 31 HB3 ALA 4 2HB ALA 4 2.404 6.064 -9.417 32 H HIS 5 H HIS 5 5.284 7.449 -9.458 33 HA HIS 5 HA HIS 5 6.372 7.668 -6.741 34 HB2 HIS 5 1HB HIS 5 6.309 9.620 -9.061 35 HB3 HIS 5 2HB HIS 5 7.172 9.883 -7.545 36 HD1 HIS 5 HD1 HIS 5 9.048 9.865 -9.774 37 HD2 HIS 5 HD2 HIS 5 7.722 6.270 -8.133 38 HE1 HIS 5 HE1 HIS 5 10.761 8.111 -10.414 39 H TYR 6 H TYR 6 5.671 9.141 -5.167 40 HA TYR 6 HA TYR 6 3.384 10.900 -5.709 41 HB2 TYR 6 1HB TYR 6 2.303 8.716 -5.241 42 HB3 TYR 6 2HB TYR 6 3.145 8.642 -3.692 43 HD1 TYR 6 HD1 TYR 6 0.811 10.770 -5.697 44 HD2 TYR 6 HD2 TYR 6 2.236 9.706 -1.789 45 HE1 TYR 6 HE1 TYR 6 -0.969 12.156 -4.669 46 HE2 TYR 6 HE2 TYR 6 0.456 11.088 -0.762 47 HH TYR 6 HH TYR 6 -1.951 11.897 -1.594 48 H ARG 7 H ARG 7 3.942 12.736 -4.698 49 HA ARG 7 HA ARG 7 4.922 14.220 -3.182 50 HB2 ARG 7 1HB ARG 7 4.332 11.973 -1.234 51 HB3 ARG 7 2HB ARG 7 4.640 13.659 -0.812 52 HG2 ARG 7 1HG ARG 7 2.373 12.710 -2.587 53 HG3 ARG 7 2HG ARG 7 2.203 13.119 -0.880 54 HD2 ARG 7 1HD ARG 7 1.619 15.155 -1.831 55 HD3 ARG 7 2HD ARG 7 3.359 15.404 -1.695 56 HE ARG 7 HE ARG 7 2.588 14.160 -4.219 57 HH11 ARG 7 1HH2 ARG 7 2.923 17.099 -2.435 58 HH12 ARG 7 2HH2 ARG 7 3.147 18.080 -3.845 59 HH21 ARG 7 1HH1 ARG 7 2.881 15.427 -6.062 60 HH22 ARG 7 2HH1 ARG 7 3.123 17.134 -5.897 61 H GLY 8 H GLY 8 6.613 12.171 -4.564 62 HA2 GLY 8 1HA GLY 8 8.987 12.014 -4.611 63 HA3 GLY 8 2HA GLY 8 9.043 12.634 -2.960 64 H TYR 9 H TYR 9 6.712 10.267 -3.048 65 HA TYR 9 HA TYR 9 8.639 8.221 -2.006 66 HB2 TYR 9 1HB TYR 9 5.692 8.670 -1.476 67 HB3 TYR 9 2HB TYR 9 6.591 7.265 -0.901 68 HD1 TYR 9 HD2 TYR 9 6.382 10.968 -0.740 69 HD2 TYR 9 HD1 TYR 9 8.074 7.413 0.971 70 HE1 TYR 9 HE2 TYR 9 7.218 12.295 1.182 71 HE2 TYR 9 HE1 TYR 9 8.911 8.738 2.893 72 HH TYR 9 HH TYR 9 7.838 11.542 3.799 73 H GLU 10 H GLU 10 8.665 6.191 -2.889 74 HA GLU 10 HA GLU 10 7.264 5.847 -5.468 75 HB2 GLU 10 1HB GLU 10 9.384 4.236 -4.022 76 HB3 GLU 10 2HB GLU 10 8.683 3.758 -5.570 77 HG2 GLU 10 1HG GLU 10 9.434 5.850 -6.592 78 HG3 GLU 10 2HG GLU 10 10.065 6.406 -5.041 79 H ILE 11 H ILE 11 5.708 4.293 -5.839 80 HA ILE 11 HA ILE 11 4.771 2.691 -3.475 81 HB ILE 11 HB ILE 11 3.110 4.038 -5.629 82 HG12 ILE 11 1HG1 ILE 11 3.185 4.527 -2.639 83 HG13 ILE 11 2HG1 ILE 11 4.097 5.492 -3.800 84 HG21 ILE 11 1HG2 ILE 11 1.234 3.236 -4.043 85 HG22 ILE 11 2HG2 ILE 11 2.440 2.143 -3.369 86 HG23 ILE 11 3HG2 ILE 11 1.989 2.019 -5.067 87 HD11 ILE 11 3HD1 ILE 11 1.086 5.136 -3.760 88 HD12 ILE 11 1HD1 ILE 11 1.982 6.059 -4.966 89 HD13 ILE 11 2HD1 ILE 11 1.964 6.589 -3.284 90 H GLU 12 H GLU 12 4.560 0.556 -3.856 91 HA GLU 12 HA GLU 12 4.716 -0.420 -6.696 92 HB2 GLU 12 1HB GLU 12 6.728 -0.867 -5.176 93 HB3 GLU 12 2HB GLU 12 5.666 -1.940 -4.262 94 HG2 GLU 12 1HG GLU 12 5.199 -3.247 -6.283 95 HG3 GLU 12 2HG GLU 12 6.197 -2.155 -7.241 96 HA PRO 13 HA PRO 13 0.574 -1.630 -4.954 97 HB2 PRO 13 1HB PRO 13 0.100 -1.936 -7.898 98 HB3 PRO 13 2HB PRO 13 -0.901 -1.126 -6.675 99 HG2 PRO 13 1HG PRO 13 0.527 0.289 -8.402 100 HG3 PRO 13 2HG PRO 13 0.388 0.797 -6.708 101 HD2 PRO 13 1HD PRO 13 2.691 -0.563 -8.082 102 HD3 PRO 13 2HD PRO 13 2.711 0.740 -6.874 103 H GLY 14 H GLY 14 -0.375 -3.708 -4.787 104 HA2 GLY 14 1HA GLY 14 0.251 -5.915 -6.496 105 HA3 GLY 14 2HA GLY 14 1.309 -5.956 -5.084 106 H HIS 15 H HIS 15 -1.112 -7.614 -6.021 107 HA HIS 15 HA HIS 15 -2.965 -7.211 -3.735 108 HB2 HIS 15 1HB HIS 15 -4.359 -8.886 -4.883 109 HB3 HIS 15 2HB HIS 15 -3.918 -7.574 -5.976 110 HD1 HIS 15 HD1 HIS 15 -2.173 -8.104 -7.847 111 HD2 HIS 15 HD2 HIS 15 -3.222 -11.409 -5.533 112 HE1 HIS 15 HE1 HIS 15 -1.323 -10.144 -9.084 113 H GLN 16 H GLN 16 -2.686 -8.356 -1.903 114 HA GLN 16 HA GLN 16 -1.705 -11.141 -2.037 115 HB2 GLN 16 1HB GLN 16 0.360 -9.791 -1.795 116 HB3 GLN 16 2HB GLN 16 -0.318 -9.025 -0.357 117 HG2 GLN 16 1HG GLN 16 -0.433 -11.185 0.785 118 HG3 GLN 16 2HG GLN 16 0.138 -12.007 -0.666 119 HE21 GLN 16 2HE2 GLN 16 2.329 -12.461 -0.582 120 HE22 GLN 16 1HE2 GLN 16 3.493 -11.534 0.236 121 H TYR 17 H TYR 17 -2.214 -12.326 -0.109 122 HA TYR 17 HA TYR 17 -4.347 -11.022 1.534 123 HB2 TYR 17 1HB TYR 17 -5.188 -13.234 1.953 124 HB3 TYR 17 2HB TYR 17 -4.891 -13.108 0.221 125 HD1 TYR 17 HD1 TYR 17 -2.891 -14.191 -0.795 126 HD2 TYR 17 HD2 TYR 17 -3.899 -14.710 3.348 127 HE1 TYR 17 HE1 TYR 17 -1.377 -16.152 -0.672 128 HE2 TYR 17 HE2 TYR 17 -2.386 -16.669 3.472 129 HH TYR 17 HH TYR 17 -0.125 -17.349 1.891 130 H ARG 18 H ARG 18 -4.148 -10.898 3.724 131 HA ARG 18 HA ARG 18 -1.508 -11.711 4.883 132 HB2 ARG 18 1HB ARG 18 -3.558 -9.660 5.729 133 HB3 ARG 18 2HB ARG 18 -2.191 -10.127 6.740 134 HG2 ARG 18 1HG ARG 18 -0.629 -9.476 4.961 135 HG3 ARG 18 2HG ARG 18 -1.983 -9.041 3.917 136 HD2 ARG 18 1HD ARG 18 -2.697 -7.330 5.527 137 HD3 ARG 18 2HD ARG 18 -1.372 -7.771 6.604 138 HE ARG 18 HE ARG 18 -1.134 -6.277 4.063 139 HH11 ARG 18 1HH2 ARG 18 0.376 -7.989 6.665 140 HH12 ARG 18 2HH2 ARG 18 1.922 -7.251 6.417 141 HH21 ARG 18 1HH1 ARG 18 0.877 -5.311 3.744 142 HH22 ARG 18 2HH1 ARG 18 2.206 -5.742 4.768 143 H ASP 19 H ASP 19 -1.392 -13.031 6.678 144 HA ASP 19 HA ASP 19 -3.593 -14.829 7.158 145 HB2 ASP 19 1HB ASP 19 -2.120 -15.692 8.998 146 HB3 ASP 19 2HB ASP 19 -1.297 -15.586 7.442 147 H ASP 20 H ASP 20 -2.986 -11.695 8.249 148 HA ASP 20 HA ASP 20 -3.962 -11.860 10.955 149 HB2 ASP 20 1HB ASP 20 -2.687 -9.924 10.092 150 HB3 ASP 20 2HB ASP 20 -4.014 -9.539 8.996 151 H ILE 21 H ILE 21 -5.532 -10.829 7.926 152 HA ILE 21 HA ILE 21 -8.203 -11.305 9.187 153 HB ILE 21 HB ILE 21 -8.866 -9.933 6.984 154 HG12 ILE 21 1HG1 ILE 21 -7.148 -8.189 6.516 155 HG13 ILE 21 2HG1 ILE 21 -6.008 -9.047 7.541 156 HG21 ILE 21 1HG2 ILE 21 -7.762 -8.844 9.578 157 HG22 ILE 21 2HG2 ILE 21 -9.449 -9.090 9.127 158 HG23 ILE 21 3HG2 ILE 21 -8.512 -7.803 8.368 159 HD11 ILE 21 3HD1 ILE 21 -7.349 -10.286 5.135 160 HD12 ILE 21 1HD1 ILE 21 -6.028 -10.962 6.074 161 HD13 ILE 21 2HD1 ILE 21 -5.769 -9.533 5.078 162 H ARG 22 H ARG 22 -6.053 -12.964 7.490 163 HA ARG 22 HA ARG 22 -6.128 -14.601 5.795 164 HB2 ARG 22 1HB ARG 22 -8.673 -15.030 7.381 165 HB3 ARG 22 2HB ARG 22 -8.077 -16.176 6.179 166 HG2 ARG 22 1HG ARG 22 -5.957 -16.389 7.403 167 HG3 ARG 22 2HG ARG 22 -6.510 -15.210 8.591 168 HD2 ARG 22 1HD ARG 22 -8.359 -16.703 9.233 169 HD3 ARG 22 2HD ARG 22 -7.840 -17.879 8.025 170 HE ARG 22 HE ARG 22 -5.614 -17.359 9.701 171 HH11 ARG 22 1HH2 ARG 22 -8.805 -18.675 9.830 172 HH12 ARG 22 2HH2 ARG 22 -8.441 -19.771 11.121 173 HH21 ARG 22 1HH1 ARG 22 -5.129 -18.787 11.385 174 HH22 ARG 22 2HH1 ARG 22 -6.363 -19.834 12.001 175 H LYS 23 H LYS 23 -7.066 -12.053 4.850 176 HA LYS 23 HA LYS 23 -8.868 -13.014 2.692 177 HB2 LYS 23 1HB LYS 23 -9.456 -10.801 4.633 178 HB3 LYS 23 2HB LYS 23 -9.936 -10.557 2.959 179 HG2 LYS 23 1HG LYS 23 -10.642 -13.126 4.369 180 HG3 LYS 23 2HG LYS 23 -11.615 -11.679 4.633 181 HD2 LYS 23 1HD LYS 23 -11.963 -11.474 2.194 182 HD3 LYS 23 2HD LYS 23 -11.021 -12.940 1.936 183 HE2 LYS 23 1HE LYS 23 -12.622 -14.219 3.301 184 HE3 LYS 23 2HE LYS 23 -13.569 -12.753 3.559 185 HZ1 LYS 23 3HZ LYS 23 -14.166 -12.649 1.336 186 HZ2 LYS 23 1HZ LYS 23 -14.259 -14.308 1.677 187 HZ3 LYS 23 2HZ LYS 23 -12.917 -13.689 0.839 188 H TYR 24 H TYR 24 -9.065 -11.127 1.016 189 HA TYR 24 HA TYR 24 -6.305 -10.469 0.242 190 HB2 TYR 24 1HB TYR 24 -8.977 -10.049 -1.128 191 HB3 TYR 24 2HB TYR 24 -7.414 -9.675 -1.855 192 HD1 TYR 24 HD2 TYR 24 -9.596 -12.398 -0.613 193 HD2 TYR 24 HD1 TYR 24 -5.934 -11.412 -2.628 194 HE1 TYR 24 HE2 TYR 24 -9.342 -14.765 -1.310 195 HE2 TYR 24 HE1 TYR 24 -5.679 -13.778 -3.324 196 HH TYR 24 HH TYR 24 -7.512 -16.295 -1.980 197 H VAL 25 H VAL 25 -5.401 -8.520 0.580 198 HA VAL 25 HA VAL 25 -7.153 -6.131 0.871 199 HB VAL 25 HB VAL 25 -5.342 -5.488 2.744 200 HG11 VAL 25 1HG1 VAL 25 -6.889 -6.664 4.441 201 HG12 VAL 25 2HG1 VAL 25 -7.773 -7.251 3.034 202 HG13 VAL 25 3HG1 VAL 25 -7.638 -5.519 3.327 203 HG21 VAL 25 3HG2 VAL 25 -4.569 -7.394 4.006 204 HG22 VAL 25 1HG2 VAL 25 -4.086 -7.639 2.328 205 HG23 VAL 25 2HG2 VAL 25 -5.476 -8.506 2.981 206 HA PRO 26 HA PRO 26 -4.256 -4.179 -1.815 207 HB2 PRO 26 1HB PRO 26 -4.002 -1.678 -0.560 208 HB3 PRO 26 2HB PRO 26 -5.300 -2.131 -1.682 209 HG2 PRO 26 1HG PRO 26 -5.304 -2.061 1.295 210 HG3 PRO 26 2HG PRO 26 -6.599 -1.661 0.154 211 HD2 PRO 26 1HD PRO 26 -6.589 -3.985 1.526 212 HD3 PRO 26 2HD PRO 26 -7.221 -3.885 -0.130 213 H TYR 27 H TYR 27 -2.207 -5.017 -1.706 214 HA TYR 27 HA TYR 27 -0.496 -4.301 0.658 215 HB2 TYR 27 1HB TYR 27 -0.847 -6.721 0.359 216 HB3 TYR 27 2HB TYR 27 -0.257 -6.610 -1.300 217 HD1 TYR 27 HD2 TYR 27 0.665 -6.458 2.259 218 HD2 TYR 27 HD1 TYR 27 2.104 -6.215 -1.779 219 HE1 TYR 27 HE2 TYR 27 2.996 -6.676 3.078 220 HE2 TYR 27 HE1 TYR 27 4.435 -6.435 -0.962 221 HH TYR 27 HH TYR 27 5.716 -6.943 0.822 222 H ALA 28 H ALA 28 0.929 -2.713 0.190 223 HA ALA 28 HA ALA 28 2.349 -2.820 -2.431 224 HB1 ALA 28 3HB ALA 28 1.251 -0.194 -1.421 225 HB2 ALA 28 1HB ALA 28 0.334 -1.215 -2.525 226 HB3 ALA 28 2HB ALA 28 1.898 -0.573 -3.014 227 H LEU 29 H LEU 29 4.385 -1.721 -2.391 228 HA LEU 29 HA LEU 29 5.462 -1.393 0.383 229 HB2 LEU 29 1HB LEU 29 6.877 -1.796 -2.271 230 HB3 LEU 29 2HB LEU 29 7.667 -1.684 -0.699 231 HG LEU 29 HG LEU 29 5.588 -3.768 -1.430 232 HD11 LEU 29 1HD1 LEU 29 8.613 -3.870 -1.370 233 HD12 LEU 29 2HD1 LEU 29 7.550 -4.216 -2.734 234 HD13 LEU 29 3HD1 LEU 29 7.601 -5.314 -1.355 235 HD21 LEU 29 3HD2 LEU 29 5.519 -3.624 0.904 236 HD22 LEU 29 1HD2 LEU 29 7.217 -3.169 1.039 237 HD23 LEU 29 2HD2 LEU 29 6.772 -4.837 0.680 238 H ILE 30 H ILE 30 6.173 0.556 1.071 239 HA ILE 30 HA ILE 30 6.151 2.830 -0.885 240 HB ILE 30 HB ILE 30 5.782 2.800 2.126 241 HG12 ILE 30 1HG1 ILE 30 3.844 3.557 -0.078 242 HG13 ILE 30 2HG1 ILE 30 3.879 1.965 0.680 243 HG21 ILE 30 1HG2 ILE 30 5.212 5.232 1.727 244 HG22 ILE 30 2HG2 ILE 30 5.870 5.051 0.102 245 HG23 ILE 30 3HG2 ILE 30 6.915 4.836 1.506 246 HD11 ILE 30 3HD1 ILE 30 3.356 2.902 2.840 247 HD12 ILE 30 1HD1 ILE 30 2.198 3.561 1.685 248 HD13 ILE 30 2HD1 ILE 30 3.556 4.545 2.232 249 H ARG 31 H ARG 31 8.080 3.764 -1.311 250 HA ARG 31 HA ARG 31 10.292 3.519 0.687 251 HB2 ARG 31 1HB ARG 31 10.436 2.890 -2.274 252 HB3 ARG 31 2HB ARG 31 11.851 3.099 -1.239 253 HG2 ARG 31 1HG ARG 31 11.081 1.268 0.210 254 HG3 ARG 31 2HG ARG 31 9.647 1.065 -0.796 255 HD2 ARG 31 1HD ARG 31 12.480 0.804 -1.839 256 HD3 ARG 31 2HD ARG 31 11.497 -0.565 -1.317 257 HE ARG 31 HE ARG 31 9.975 0.909 -3.204 258 HH11 ARG 31 1HH2 ARG 31 12.874 -0.959 -2.971 259 HH12 ARG 31 2HH2 ARG 31 12.804 -1.504 -4.613 260 HH21 ARG 31 1HH1 ARG 31 9.878 0.203 -5.343 261 HH22 ARG 31 2HH1 ARG 31 11.112 -0.848 -5.954 262 H LYS 32 H LYS 32 11.516 5.354 0.871 263 HA LYS 32 HA LYS 32 10.595 7.714 -0.671 264 HB2 LYS 32 1HB LYS 32 10.769 7.793 1.822 265 HB3 LYS 32 2HB LYS 32 12.509 7.557 1.674 266 HG2 LYS 32 1HG LYS 32 12.739 9.621 0.419 267 HG3 LYS 32 2HG LYS 32 10.988 9.835 0.379 268 HD2 LYS 32 1HD LYS 32 10.955 9.998 2.846 269 HD3 LYS 32 2HD LYS 32 12.706 9.808 2.878 270 HE2 LYS 32 1HE LYS 32 12.976 11.860 1.562 271 HE3 LYS 32 2HE LYS 32 11.225 12.041 1.462 272 HZ1 LYS 32 3HZ LYS 32 12.966 12.276 3.835 273 HZ2 LYS 32 1HZ LYS 32 11.303 11.985 3.991 274 HZ3 LYS 32 2HZ LYS 32 11.848 13.399 3.223 275 H VAL 33 H VAL 33 11.841 8.706 -2.173 276 HA VAL 33 HA VAL 33 14.086 7.396 -3.344 277 HB VAL 33 HB VAL 33 13.127 10.263 -3.560 278 HG11 VAL 33 1HG1 VAL 33 14.374 10.112 -5.788 279 HG12 VAL 33 2HG1 VAL 33 15.169 8.682 -5.130 280 HG13 VAL 33 3HG1 VAL 33 15.375 10.247 -4.343 281 HG21 VAL 33 3HG2 VAL 33 12.190 9.377 -5.736 282 HG22 VAL 33 1HG2 VAL 33 11.425 8.719 -4.290 283 HG23 VAL 33 2HG2 VAL 33 12.603 7.755 -5.181 284 H GLY 34 H GLY 34 13.894 10.224 -1.171 285 HA2 GLY 34 1HA GLY 34 16.692 10.800 -1.185 286 HA3 GLY 34 2HA GLY 34 15.563 11.301 0.073 287 H VAL 35 H VAL 35 15.310 7.994 -0.224 288 HA VAL 35 HA VAL 35 17.594 7.374 1.569 289 HB VAL 35 HB VAL 35 14.779 6.583 2.356 290 HG11 VAL 35 1HG1 VAL 35 17.311 6.847 3.996 291 HG12 VAL 35 2HG1 VAL 35 16.812 5.346 3.217 292 HG13 VAL 35 3HG1 VAL 35 15.802 6.066 4.470 293 HG21 VAL 35 3HG2 VAL 35 16.378 9.004 3.249 294 HG22 VAL 35 1HG2 VAL 35 14.917 8.419 4.044 295 HG23 VAL 35 2HG2 VAL 35 14.838 9.021 2.390 296 HA PRO 36 HA PRO 36 16.488 4.206 -1.737 297 HB2 PRO 36 1HB PRO 36 19.481 4.025 -1.713 298 HB3 PRO 36 2HB PRO 36 18.368 4.106 -3.094 299 HG2 PRO 36 1HG PRO 36 19.868 6.200 -2.370 300 HG3 PRO 36 2HG PRO 36 18.230 6.406 -3.018 301 HD2 PRO 36 1HD PRO 36 19.180 6.647 -0.184 302 HD3 PRO 36 2HD PRO 36 17.893 7.543 -1.020 303 H ASP 37 H ASP 37 19.027 4.123 0.751 304 HA ASP 37 HA ASP 37 18.572 1.220 1.172 305 HB2 ASP 37 1HB ASP 37 20.892 2.270 0.993 306 HB3 ASP 37 2HB ASP 37 20.585 2.995 2.571 307 H ARG 38 H ARG 38 16.949 0.753 2.537 308 HA ARG 38 HA ARG 38 16.957 1.715 5.257 309 HB2 ARG 38 1HB ARG 38 14.528 2.669 4.990 310 HB3 ARG 38 2HB ARG 38 15.894 3.691 4.569 311 HG2 ARG 38 1HG ARG 38 14.219 3.847 2.811 312 HG3 ARG 38 2HG ARG 38 15.627 3.007 2.176 313 HD2 ARG 38 1HD ARG 38 13.420 1.372 3.385 314 HD3 ARG 38 2HD ARG 38 13.188 2.040 1.772 315 HE ARG 38 HE ARG 38 15.141 -0.040 2.522 316 HH11 ARG 38 1HH2 ARG 38 14.010 2.280 0.220 317 HH12 ARG 38 2HH2 ARG 38 14.760 1.493 -1.129 318 HH21 ARG 38 1HH1 ARG 38 16.119 -1.068 0.767 319 HH22 ARG 38 2HH1 ARG 38 15.952 -0.395 -0.820 320 H THR 39 H THR 39 14.310 1.147 5.930 321 HA THR 39 HA THR 39 14.079 -1.741 5.155 322 HB THR 39 HB THR 39 13.197 -0.311 7.668 323 HG1 THR 39 HG1 THR 39 15.411 -1.747 6.868 324 HG21 THR 39 3HG2 THR 39 12.837 -3.136 6.658 325 HG22 THR 39 1HG2 THR 39 11.614 -2.037 7.300 326 HG23 THR 39 2HG2 THR 39 12.807 -2.756 8.380 327 HA PRO 40 HA PRO 40 10.444 0.233 3.067 328 HB2 PRO 40 1HB PRO 40 10.199 -2.621 2.165 329 HB3 PRO 40 2HB PRO 40 10.088 -1.125 1.213 330 HG2 PRO 40 1HG PRO 40 12.258 -2.651 1.107 331 HG3 PRO 40 2HG PRO 40 12.381 -0.883 1.091 332 HD2 PRO 40 1HD PRO 40 12.953 -2.788 3.336 333 HD3 PRO 40 2HD PRO 40 13.761 -1.268 2.909 334 H ILE 41 H ILE 41 8.276 0.215 3.668 335 HA ILE 41 HA ILE 41 7.426 -1.911 5.575 336 HB ILE 41 HB ILE 41 6.658 1.010 5.659 337 HG12 ILE 41 1HG1 ILE 41 7.974 0.558 7.992 338 HG13 ILE 41 2HG1 ILE 41 8.817 -0.620 6.989 339 HG21 ILE 41 1HG2 ILE 41 6.074 -1.319 7.520 340 HG22 ILE 41 2HG2 ILE 41 4.902 -0.513 6.479 341 HG23 ILE 41 3HG2 ILE 41 5.630 0.361 7.824 342 HD11 ILE 41 3HD1 ILE 41 8.498 2.323 6.321 343 HD12 ILE 41 1HD1 ILE 41 9.408 1.146 5.381 344 HD13 ILE 41 2HD1 ILE 41 9.946 1.585 6.993 345 HA PRO 42 HA PRO 42 4.288 -2.269 2.366 346 HB2 PRO 42 1HB PRO 42 2.786 -4.270 3.503 347 HB3 PRO 42 2HB PRO 42 4.331 -4.557 2.681 348 HG2 PRO 42 1HG PRO 42 3.745 -4.402 5.597 349 HG3 PRO 42 2HG PRO 42 4.870 -5.458 4.724 350 HD2 PRO 42 1HD PRO 42 5.643 -3.200 6.107 351 HD3 PRO 42 2HD PRO 42 6.562 -3.891 4.748 352 H THR 43 H THR 43 2.227 -1.421 2.030 353 HA THR 43 HA THR 43 0.895 -0.215 4.430 354 HB THR 43 HB THR 43 1.475 1.508 2.894 355 HG1 THR 43 HG1 THR 43 -1.168 0.648 2.913 356 HG21 THR 43 3HG2 THR 43 0.517 -0.438 0.805 357 HG22 THR 43 1HG2 THR 43 2.048 0.431 0.890 358 HG23 THR 43 2HG2 THR 43 0.567 1.289 0.466 359 H THR 44 H THR 44 -1.159 -0.758 4.900 360 HA THR 44 HA THR 44 -2.663 -2.530 3.014 361 HB THR 44 HB THR 44 -3.198 -4.044 4.718 362 HG1 THR 44 HG1 THR 44 -3.230 -1.878 6.199 363 HG21 THR 44 3HG2 THR 44 -0.801 -4.187 4.141 364 HG22 THR 44 1HG2 THR 44 -1.091 -4.650 5.817 365 HG23 THR 44 2HG2 THR 44 -0.425 -3.063 5.448 366 H TYR 45 H TYR 45 -5.023 -2.563 3.556 367 HA TYR 45 HA TYR 45 -5.953 -0.104 4.956 368 HB2 TYR 45 1HB TYR 45 -5.749 0.164 2.401 369 HB3 TYR 45 2HB TYR 45 -7.112 -0.946 2.303 370 HD1 TYR 45 HD1 TYR 45 -6.022 2.188 4.042 371 HD2 TYR 45 HD2 TYR 45 -9.299 -0.102 2.470 372 HE1 TYR 45 HE1 TYR 45 -7.570 4.056 4.548 373 HE2 TYR 45 HE2 TYR 45 -10.848 1.767 2.974 374 HH TYR 45 HH TYR 45 -10.198 4.187 5.026 375 HA PRO 46 HA PRO 46 -8.345 -3.573 6.769 376 HB2 PRO 46 1HB PRO 46 -9.947 -1.219 7.734 377 HB3 PRO 46 2HB PRO 46 -9.382 -2.643 8.632 378 HG2 PRO 46 1HG PRO 46 -8.167 -0.272 8.858 379 HG3 PRO 46 2HG PRO 46 -7.259 -1.793 8.907 380 HD2 PRO 46 1HD PRO 46 -7.387 0.247 6.738 381 HD3 PRO 46 2HD PRO 46 -6.090 -0.906 7.130 382 H GLU 47 H GLU 47 -9.084 -4.125 4.557 383 HA GLU 47 HA GLU 47 -11.934 -3.913 4.293 384 HB2 GLU 47 1HB GLU 47 -11.001 -1.610 3.473 385 HB3 GLU 47 2HB GLU 47 -10.480 -2.507 2.049 386 HG2 GLU 47 1HG GLU 47 -13.325 -2.465 3.108 387 HG3 GLU 47 2HG GLU 47 -12.741 -1.481 1.767 388 H PHE 48 H PHE 48 -12.591 -5.679 3.144 389 HA PHE 48 HA PHE 48 -10.492 -7.242 1.703 390 HB2 PHE 48 1HB PHE 48 -13.304 -8.170 2.306 391 HB3 PHE 48 2HB PHE 48 -11.852 -9.139 2.059 392 HD1 PHE 48 HD2 PHE 48 -9.862 -7.878 3.786 393 HD2 PHE 48 HD1 PHE 48 -14.042 -8.554 4.496 394 HE1 PHE 48 HE2 PHE 48 -9.451 -7.832 6.218 395 HE2 PHE 48 HE1 PHE 48 -13.627 -8.517 6.939 396 HZ PHE 48 HZ PHE 48 -11.331 -8.158 7.801 397 H TYR 49 H TYR 49 -10.464 -7.227 -0.462 398 HA TYR 49 HA TYR 49 -12.897 -6.226 -1.923 399 HB2 TYR 49 1HB TYR 49 -9.954 -6.226 -2.640 400 HB3 TYR 49 2HB TYR 49 -11.234 -5.804 -3.778 401 HD1 TYR 49 HD1 TYR 49 -12.737 -3.855 -3.301 402 HD2 TYR 49 HD2 TYR 49 -9.264 -4.707 -0.922 403 HE1 TYR 49 HE1 TYR 49 -12.809 -1.557 -2.372 404 HE2 TYR 49 HE2 TYR 49 -9.334 -2.408 0.006 405 HH TYR 49 HH TYR 49 -11.037 -0.619 0.349 406 H ASP 50 H ASP 50 -10.516 -8.804 -1.718 407 HA ASP 50 HA ASP 50 -10.509 -10.962 -2.622 408 HB2 ASP 50 1HB ASP 50 -12.943 -10.816 -1.771 409 HB3 ASP 50 2HB ASP 50 -13.380 -10.503 -3.450 410 H LEU 51 H LEU 51 -10.952 -8.175 -4.378 411 HA LEU 51 HA LEU 51 -10.688 -9.602 -7.004 412 HB2 LEU 51 1HB LEU 51 -11.725 -6.824 -6.394 413 HB3 LEU 51 2HB LEU 51 -11.531 -7.495 -8.011 414 HG LEU 51 HG LEU 51 -13.272 -8.706 -5.842 415 HD11 LEU 51 1HD1 LEU 51 -13.902 -6.879 -8.167 416 HD12 LEU 51 2HD1 LEU 51 -14.292 -6.643 -6.463 417 HD13 LEU 51 3HD1 LEU 51 -15.129 -7.884 -7.397 418 HD21 LEU 51 3HD2 LEU 51 -12.770 -10.474 -7.308 419 HD22 LEU 51 1HD2 LEU 51 -12.660 -9.416 -8.712 420 HD23 LEU 51 2HD2 LEU 51 -14.234 -9.822 -8.030 421 H GLU 52 H GLU 52 -8.834 -9.331 -8.080 422 HA GLU 52 HA GLU 52 -6.605 -7.964 -6.881 423 HB2 GLU 52 1HB GLU 52 -6.351 -9.944 -8.338 424 HB3 GLU 52 2HB GLU 52 -6.961 -9.014 -9.708 425 HG2 GLU 52 1HG GLU 52 -5.076 -7.469 -9.546 426 HG3 GLU 52 2HG GLU 52 -4.493 -8.295 -8.105 427 H ALA 53 H ALA 53 -8.807 -7.158 -9.560 428 HA ALA 53 HA ALA 53 -7.444 -4.859 -10.510 429 HB1 ALA 53 3HB ALA 53 -9.328 -5.819 -11.724 430 HB2 ALA 53 1HB ALA 53 -9.692 -4.139 -11.331 431 HB3 ALA 53 2HB ALA 53 -10.419 -5.442 -10.392 432 H ASP 54 H ASP 54 -10.047 -5.085 -8.065 433 HA ASP 54 HA ASP 54 -10.038 -2.301 -7.401 434 HB2 ASP 54 1HB ASP 54 -10.871 -4.754 -5.840 435 HB3 ASP 54 2HB ASP 54 -11.111 -3.115 -5.249 436 H ALA 55 H ALA 55 -8.281 -5.090 -6.081 437 HA ALA 55 HA ALA 55 -7.085 -3.806 -3.856 438 HB1 ALA 55 3HB ALA 55 -7.041 -6.278 -4.392 439 HB2 ALA 55 1HB ALA 55 -5.492 -5.613 -3.871 440 HB3 ALA 55 2HB ALA 55 -5.786 -5.931 -5.581 441 H GLU 56 H GLU 56 -5.932 -4.097 -7.219 442 HA GLU 56 HA GLU 56 -3.464 -2.700 -6.779 443 HB2 GLU 56 1HB GLU 56 -5.133 -3.118 -9.277 444 HB3 GLU 56 2HB GLU 56 -3.513 -2.421 -9.283 445 HG2 GLU 56 1HG GLU 56 -4.181 -5.151 -8.145 446 HG3 GLU 56 2HG GLU 56 -3.535 -4.884 -9.762 447 H ARG 57 H ARG 57 -6.598 -1.593 -8.112 448 HA ARG 57 HA ARG 57 -5.804 1.140 -8.438 449 HB2 ARG 57 1HB ARG 57 -7.806 0.105 -9.511 450 HB3 ARG 57 2HB ARG 57 -8.584 0.028 -7.930 451 HG2 ARG 57 1HG ARG 57 -8.426 2.479 -7.723 452 HG3 ARG 57 2HG ARG 57 -7.630 2.565 -9.294 453 HD2 ARG 57 1HD ARG 57 -9.994 3.069 -9.588 454 HD3 ARG 57 2HD ARG 57 -9.653 1.501 -10.321 455 HE ARG 57 HE ARG 57 -10.476 1.117 -7.602 456 HH11 ARG 57 1HH2 ARG 57 -11.625 2.065 -10.721 457 HH12 ARG 57 2HH2 ARG 57 -13.239 1.506 -10.438 458 HH21 ARG 57 1HH1 ARG 57 -12.579 0.389 -7.223 459 HH22 ARG 57 2HH1 ARG 57 -13.779 0.560 -8.460 460 H VAL 58 H VAL 58 -7.476 -0.554 -5.796 461 HA VAL 58 HA VAL 58 -7.822 1.760 -4.137 462 HB VAL 58 HB VAL 58 -7.712 -1.199 -3.481 463 HG11 VAL 58 1HG1 VAL 58 -8.893 -0.427 -1.357 464 HG12 VAL 58 2HG1 VAL 58 -8.356 1.203 -1.759 465 HG13 VAL 58 3HG1 VAL 58 -7.170 -0.064 -1.450 466 HG21 VAL 58 3HG2 VAL 58 -10.105 0.654 -3.500 467 HG22 VAL 58 1HG2 VAL 58 -10.086 -1.109 -3.549 468 HG23 VAL 58 2HG2 VAL 58 -9.577 -0.183 -4.959 469 H SER 59 H SER 59 -5.283 -0.732 -4.300 470 HA SER 59 HA SER 59 -3.781 0.050 -2.055 471 HB2 SER 59 1HB SER 59 -1.843 -0.929 -3.259 472 HB3 SER 59 2HB SER 59 -3.265 -1.959 -3.360 473 HG SER 59 HG SER 59 -2.075 -0.320 -5.307 474 H ILE 60 H ILE 60 -3.761 1.389 -5.351 475 HA ILE 60 HA ILE 60 -1.594 3.217 -4.904 476 HB ILE 60 HB ILE 60 -3.949 3.286 -6.814 477 HG12 ILE 60 1HG1 ILE 60 -1.024 2.703 -7.348 478 HG13 ILE 60 2HG1 ILE 60 -2.198 1.440 -6.979 479 HG21 ILE 60 1HG2 ILE 60 -3.244 5.552 -6.632 480 HG22 ILE 60 2HG2 ILE 60 -2.424 4.928 -8.064 481 HG23 ILE 60 3HG2 ILE 60 -1.542 5.097 -6.546 482 HD11 ILE 60 3HD1 ILE 60 -1.916 1.741 -9.425 483 HD12 ILE 60 1HD1 ILE 60 -2.435 3.419 -9.265 484 HD13 ILE 60 2HD1 ILE 60 -3.560 2.110 -8.906 485 H ALA 61 H ALA 61 -5.135 3.570 -4.618 486 HA ALA 61 HA ALA 61 -5.066 6.330 -3.813 487 HB1 ALA 61 3HB ALA 61 -7.394 5.779 -2.919 488 HB2 ALA 61 1HB ALA 61 -7.113 4.127 -3.470 489 HB3 ALA 61 2HB ALA 61 -7.133 5.452 -4.632 490 H CYS 62 H CYS 62 -5.456 3.325 -1.922 491 HA CYS 62 HA CYS 62 -5.465 4.550 0.645 492 HB2 CYS 62 1HB CYS 62 -4.536 1.795 -0.232 493 HB3 CYS 62 2HB CYS 62 -4.759 2.277 1.449 494 HG CYS 62 HG CYS 62 -7.073 1.427 0.978 495 H ALA 63 H ALA 63 -2.811 3.391 -1.410 496 HA ALA 63 HA ALA 63 -0.675 3.614 0.416 497 HB1 ALA 63 3HB ALA 63 -0.810 4.128 -2.565 498 HB2 ALA 63 1HB ALA 63 -0.278 2.659 -1.750 499 HB3 ALA 63 2HB ALA 63 0.704 4.122 -1.659 500 H LYS 64 H LYS 64 -2.223 6.110 -1.593 501 HA LYS 64 HA LYS 64 -0.441 8.241 -0.891 502 HB2 LYS 64 1HB LYS 64 -3.362 8.253 -1.710 503 HB3 LYS 64 2HB LYS 64 -2.388 9.713 -1.534 504 HG2 LYS 64 1HG LYS 64 -0.809 8.886 -3.228 505 HG3 LYS 64 2HG LYS 64 -1.751 7.403 -3.393 506 HD2 LYS 64 1HD LYS 64 -3.706 8.722 -4.121 507 HD3 LYS 64 2HD LYS 64 -2.763 10.205 -3.963 508 HE2 LYS 64 1HE LYS 64 -1.172 9.378 -5.656 509 HE3 LYS 64 2HE LYS 64 -2.109 7.893 -5.814 510 HZ1 LYS 64 3HZ LYS 64 -2.540 10.385 -7.053 511 HZ2 LYS 64 1HZ LYS 64 -3.881 10.015 -6.083 512 HZ3 LYS 64 2HZ LYS 64 -3.375 8.923 -7.284 513 H ILE 65 H ILE 65 -3.395 6.977 0.615 514 HA ILE 65 HA ILE 65 -3.711 9.019 2.589 515 HB ILE 65 HB ILE 65 -4.371 6.076 2.884 516 HG12 ILE 65 1HG1 ILE 65 -5.275 6.840 0.781 517 HG13 ILE 65 2HG1 ILE 65 -6.595 6.732 1.936 518 HG21 ILE 65 1HG2 ILE 65 -5.475 8.599 4.136 519 HG22 ILE 65 2HG2 ILE 65 -4.660 7.267 4.955 520 HG23 ILE 65 3HG2 ILE 65 -6.261 7.025 4.255 521 HD11 ILE 65 3HD1 ILE 65 -5.246 9.171 0.817 522 HD12 ILE 65 1HD1 ILE 65 -6.072 9.259 2.371 523 HD13 ILE 65 2HD1 ILE 65 -6.965 8.804 0.923 524 H ILE 66 H ILE 66 -1.954 5.908 2.716 525 HA ILE 66 HA ILE 66 -1.052 6.215 5.420 526 HB ILE 66 HB ILE 66 -0.118 4.585 3.045 527 HG12 ILE 66 1HG1 ILE 66 -0.685 2.725 4.777 528 HG13 ILE 66 2HG1 ILE 66 -1.490 3.999 5.686 529 HG21 ILE 66 1HG2 ILE 66 1.410 3.417 4.766 530 HG22 ILE 66 2HG2 ILE 66 1.249 4.894 5.717 531 HG23 ILE 66 3HG2 ILE 66 1.959 4.958 4.104 532 HD11 ILE 66 3HD1 ILE 66 -2.938 4.489 3.780 533 HD12 ILE 66 1HD1 ILE 66 -3.036 2.772 4.160 534 HD13 ILE 66 2HD1 ILE 66 -2.071 3.317 2.790 535 H ILE 67 H ILE 67 0.440 7.071 2.293 536 HA ILE 67 HA ILE 67 2.880 8.085 3.399 537 HB ILE 67 HB ILE 67 1.401 8.746 0.833 538 HG12 ILE 67 1HG1 ILE 67 3.903 7.096 1.252 539 HG13 ILE 67 2HG1 ILE 67 2.290 6.382 1.277 540 HG21 ILE 67 1HG2 ILE 67 2.832 10.605 1.192 541 HG22 ILE 67 2HG2 ILE 67 3.762 9.532 0.146 542 HG23 ILE 67 3HG2 ILE 67 4.108 9.597 1.875 543 HD11 ILE 67 3HD1 ILE 67 3.230 6.189 -0.972 544 HD12 ILE 67 1HD1 ILE 67 3.531 7.925 -1.018 545 HD13 ILE 67 2HD1 ILE 67 1.877 7.318 -0.994 546 H ASP 68 H ASP 68 -0.195 9.668 2.546 547 HA ASP 68 HA ASP 68 0.596 12.324 3.258 548 HB2 ASP 68 1HB ASP 68 -2.100 10.952 3.119 549 HB3 ASP 68 2HB ASP 68 -1.921 12.668 3.487 550 H SER 69 H SER 69 -0.955 9.713 5.096 551 HA SER 69 HA SER 69 -1.447 11.176 7.484 552 HB2 SER 69 1HB SER 69 -0.820 8.228 7.142 553 HB3 SER 69 2HB SER 69 -1.545 8.959 8.571 554 HG SER 69 HG SER 69 -3.307 9.569 7.306 555 H HIS 70 H HIS 70 1.417 9.315 6.444 556 HA HIS 70 HA HIS 70 2.867 9.556 8.886 557 HB2 HIS 70 1HB HIS 70 3.554 8.044 7.054 558 HB3 HIS 70 2HB HIS 70 3.943 9.442 6.048 559 HD1 HIS 70 HD1 HIS 70 4.966 7.877 9.364 560 HD2 HIS 70 HD2 HIS 70 6.488 10.471 6.479 561 HE1 HIS 70 HE1 HIS 70 7.358 8.367 10.033 562 H LEU 71 H LEU 71 2.862 11.614 5.971 563 HA LEU 71 HA LEU 71 4.733 13.535 6.974 564 HB2 LEU 71 1HB LEU 71 2.525 13.742 4.905 565 HB3 LEU 71 2HB LEU 71 3.711 15.014 5.194 566 HG LEU 71 HG LEU 71 4.461 12.157 4.506 567 HD11 LEU 71 1HD1 LEU 71 4.849 12.956 2.217 568 HD12 LEU 71 2HD1 LEU 71 4.267 14.559 2.664 569 HD13 LEU 71 3HD1 LEU 71 3.161 13.185 2.672 570 HD21 LEU 71 3HD2 LEU 71 6.382 13.124 5.430 571 HD22 LEU 71 1HD2 LEU 71 5.977 14.741 4.860 572 HD23 LEU 71 2HD2 LEU 71 6.587 13.531 3.733 573 H ASP 72 H ASP 72 1.187 13.366 7.068 574 HA ASP 72 HA ASP 72 0.981 15.887 8.548 575 HB2 ASP 72 1HB ASP 72 -1.019 13.741 7.793 576 HB3 ASP 72 2HB ASP 72 -1.450 15.175 8.723 577 H ARG 73 H ARG 73 -0.278 12.644 9.360 578 HA ARG 73 HA ARG 73 -0.189 13.212 12.198 579 HB2 ARG 73 1HB ARG 73 -0.631 10.623 10.677 580 HB3 ARG 73 2HB ARG 73 -0.828 10.800 12.420 581 HG2 ARG 73 1HG ARG 73 -2.577 12.469 12.098 582 HG3 ARG 73 2HG ARG 73 -2.334 12.429 10.352 583 HD2 ARG 73 1HD ARG 73 -4.266 11.052 10.911 584 HD3 ARG 73 2HD ARG 73 -2.956 10.005 10.364 585 HE ARG 73 HE ARG 73 -2.833 10.279 13.216 586 HH11 ARG 73 1HH2 ARG 73 -4.674 8.863 10.655 587 HH12 ARG 73 2HH2 ARG 73 -5.237 7.538 11.621 588 HH21 ARG 73 1HH1 ARG 73 -3.563 8.557 14.480 589 HH22 ARG 73 2HH1 ARG 73 -4.609 7.365 13.781 590 H HIS 74 H HIS 74 1.222 12.324 13.755 591 HA HIS 74 HA HIS 74 3.937 11.807 12.816 592 HB2 HIS 74 1HB HIS 74 2.703 11.777 15.587 593 HB3 HIS 74 2HB HIS 74 4.429 11.610 15.262 594 HD1 HIS 74 HD1 HIS 74 5.350 13.694 13.598 595 HD2 HIS 74 HD2 HIS 74 2.008 14.418 15.983 596 HE1 HIS 74 HE1 HIS 74 5.127 16.210 13.775 597 H ASP 75 H ASP 75 2.790 9.845 11.610 598 HA ASP 75 HA ASP 75 2.473 7.464 13.318 599 HB2 ASP 75 1HB ASP 75 1.016 7.937 11.315 600 HB3 ASP 75 2HB ASP 75 2.426 7.661 10.292 601 H GLN 76 H GLN 76 4.320 6.537 14.016 602 HA GLN 76 HA GLN 76 6.861 6.808 12.695 603 HB2 GLN 76 1HB GLN 76 5.905 4.889 14.845 604 HB3 GLN 76 2HB GLN 76 7.588 5.061 14.346 605 HG2 GLN 76 1HG GLN 76 5.875 7.326 15.413 606 HG3 GLN 76 2HG GLN 76 7.037 6.415 16.375 607 HE21 GLN 76 2HE2 GLN 76 9.328 6.762 15.955 608 HE22 GLN 76 1HE2 GLN 76 9.872 8.057 15.001 609 H GLY 77 H GLY 77 4.330 5.346 11.458 610 HA2 GLY 77 1HA GLY 77 5.080 2.658 10.922 611 HA3 GLY 77 2HA GLY 77 4.018 3.627 9.899 612 H LEU 78 H LEU 78 5.836 5.684 9.214 613 HA LEU 78 HA LEU 78 7.786 4.179 7.500 614 HB2 LEU 78 1HB LEU 78 6.612 6.923 6.983 615 HB3 LEU 78 2HB LEU 78 7.525 5.916 5.859 616 HG LEU 78 HG LEU 78 4.787 5.302 7.009 617 HD11 LEU 78 1HD1 LEU 78 4.522 6.879 5.265 618 HD12 LEU 78 2HD1 LEU 78 4.243 5.321 4.489 619 HD13 LEU 78 3HD1 LEU 78 5.792 6.142 4.288 620 HD21 LEU 78 3HD2 LEU 78 6.719 3.653 5.372 621 HD22 LEU 78 1HD2 LEU 78 4.981 3.374 5.264 622 HD23 LEU 78 2HD2 LEU 78 5.809 3.181 6.806 623 H ALA 79 H ALA 79 8.260 5.069 10.251 624 HA ALA 79 HA ALA 79 9.760 7.491 10.368 625 HB1 ALA 79 3HB ALA 79 9.147 6.497 12.437 626 HB2 ALA 79 1HB ALA 79 10.895 6.285 12.349 627 HB3 ALA 79 2HB ALA 79 9.821 4.935 11.983 628 H ASP 80 H ASP 80 10.690 4.170 9.554 629 HA ASP 80 HA ASP 80 13.512 4.608 9.432 630 HB2 ASP 80 1HB ASP 80 11.690 2.606 8.093 631 HB3 ASP 80 2HB ASP 80 13.440 2.567 7.905 632 H LEU 81 H LEU 81 10.921 5.061 7.066 633 HA LEU 81 HA LEU 81 12.778 5.603 4.875 634 HB2 LEU 81 1HB LEU 81 9.822 6.260 5.025 635 HB3 LEU 81 2HB LEU 81 10.798 6.045 3.572 636 HG LEU 81 HG LEU 81 10.191 3.893 5.625 637 HD11 LEU 81 1HD1 LEU 81 8.324 4.698 4.031 638 HD12 LEU 81 2HD1 LEU 81 8.677 2.971 4.054 639 HD13 LEU 81 3HD1 LEU 81 9.289 3.978 2.744 640 HD21 LEU 81 3HD2 LEU 81 11.890 3.967 3.127 641 HD22 LEU 81 1HD2 LEU 81 11.177 2.454 3.688 642 HD23 LEU 81 2HD2 LEU 81 12.299 3.334 4.722 643 H GLY 82 H GLY 82 11.901 7.346 7.571 644 HA2 GLY 82 1HA GLY 82 13.055 9.786 6.527 645 HA3 GLY 82 2HA GLY 82 11.312 9.941 6.752 Start of MODEL 7 1 H1 MET 1 1H MET 1 2.969 -0.137 -16.536 2 H2 MET 1 2H MET 1 3.590 1.427 -16.774 3 H3 MET 1 3H MET 1 2.008 1.053 -17.273 4 HA MET 1 HA MET 1 1.663 2.205 -15.300 5 HB2 MET 1 1HB MET 1 0.511 -0.007 -15.355 6 HB3 MET 1 2HB MET 1 1.892 -0.719 -14.520 7 HG2 MET 1 1HG MET 1 1.534 0.764 -12.602 8 HG3 MET 1 2HG MET 1 0.194 1.548 -13.438 9 HE1 MET 1 3HE MET 1 -1.705 0.464 -14.364 10 HE2 MET 1 1HE MET 1 -2.306 0.788 -12.732 11 HE3 MET 1 2HE MET 1 -2.649 -0.756 -13.511 12 H ASN 2 H ASN 2 4.109 -0.307 -14.707 13 HA ASN 2 HA ASN 2 5.855 -0.384 -13.132 14 HB2 ASN 2 1HB ASN 2 6.082 2.373 -14.349 15 HB3 ASN 2 2HB ASN 2 7.299 1.714 -13.256 16 HD21 ASN 2 2HD2 ASN 2 7.956 2.299 -15.964 17 HD22 ASN 2 1HD2 ASN 2 8.250 0.839 -16.777 18 H VAL 3 H VAL 3 7.014 1.435 -11.483 19 HA VAL 3 HA VAL 3 5.071 1.609 -9.337 20 HB VAL 3 HB VAL 3 6.986 2.710 -8.102 21 HG11 VAL 3 1HG1 VAL 3 7.268 0.034 -9.472 22 HG12 VAL 3 2HG1 VAL 3 6.754 0.371 -7.820 23 HG13 VAL 3 3HG1 VAL 3 8.441 0.590 -8.278 24 HG21 VAL 3 3HG2 VAL 3 9.172 2.743 -9.172 25 HG22 VAL 3 1HG2 VAL 3 8.051 3.677 -10.162 26 HG23 VAL 3 2HG2 VAL 3 8.505 2.041 -10.646 27 H ALA 4 H ALA 4 4.085 3.402 -8.500 28 HA ALA 4 HA ALA 4 4.108 5.833 -10.214 29 HB1 ALA 4 3HB ALA 4 2.047 6.422 -8.987 30 HB2 ALA 4 1HB ALA 4 2.249 4.994 -7.971 31 HB3 ALA 4 2HB ALA 4 1.929 4.810 -9.696 32 H HIS 5 H HIS 5 5.003 7.677 -9.542 33 HA HIS 5 HA HIS 5 6.414 7.753 -6.972 34 HB2 HIS 5 1HB HIS 5 6.193 9.752 -9.238 35 HB3 HIS 5 2HB HIS 5 7.208 9.974 -7.814 36 HD1 HIS 5 HD1 HIS 5 8.748 9.876 -10.357 37 HD2 HIS 5 HD2 HIS 5 7.699 6.386 -8.330 38 HE1 HIS 5 HE1 HIS 5 10.366 8.085 -11.124 39 H TYR 6 H TYR 6 6.041 9.264 -5.332 40 HA TYR 6 HA TYR 6 3.721 11.066 -5.513 41 HB2 TYR 6 1HB TYR 6 2.759 8.858 -4.844 42 HB3 TYR 6 2HB TYR 6 3.798 8.877 -3.419 43 HD1 TYR 6 HD2 TYR 6 1.242 10.932 -5.218 44 HD2 TYR 6 HD1 TYR 6 3.071 9.963 -1.453 45 HE1 TYR 6 HE2 TYR 6 -0.412 12.359 -4.047 46 HE2 TYR 6 HE1 TYR 6 1.414 11.389 -0.282 47 HH TYR 6 HH TYR 6 -0.046 13.440 -0.957 48 H ARG 7 H ARG 7 4.581 12.884 -4.765 49 HA ARG 7 HA ARG 7 5.893 14.369 -3.527 50 HB2 ARG 7 1HB ARG 7 5.003 12.441 -1.364 51 HB3 ARG 7 2HB ARG 7 5.763 14.000 -1.047 52 HG2 ARG 7 1HG ARG 7 3.958 15.160 -2.226 53 HG3 ARG 7 2HG ARG 7 3.212 13.618 -2.645 54 HD2 ARG 7 1HD ARG 7 2.059 14.546 -0.709 55 HD3 ARG 7 2HD ARG 7 2.976 13.129 -0.200 56 HE ARG 7 HE ARG 7 4.593 15.466 0.142 57 HH11 ARG 7 1HH2 ARG 7 1.813 13.840 1.400 58 HH12 ARG 7 2HH2 ARG 7 2.010 14.475 2.999 59 HH21 ARG 7 1HH1 ARG 7 4.855 16.292 2.220 60 HH22 ARG 7 2HH1 ARG 7 3.730 15.857 3.463 61 H GLY 8 H GLY 8 7.262 12.076 -4.758 62 HA2 GLY 8 1HA GLY 8 9.653 11.762 -4.859 63 HA3 GLY 8 2HA GLY 8 9.768 12.231 -3.162 64 H TYR 9 H TYR 9 7.330 10.403 -2.716 65 HA TYR 9 HA TYR 9 8.918 8.017 -2.079 66 HB2 TYR 9 1HB TYR 9 6.004 8.692 -1.617 67 HB3 TYR 9 2HB TYR 9 6.785 7.218 -1.047 68 HD1 TYR 9 HD2 TYR 9 6.633 10.893 -0.691 69 HD2 TYR 9 HD1 TYR 9 8.384 7.252 0.764 70 HE1 TYR 9 HE2 TYR 9 7.478 12.098 1.307 71 HE2 TYR 9 HE1 TYR 9 9.228 8.454 2.760 72 HH TYR 9 HH TYR 9 9.647 10.548 3.600 73 H GLU 10 H GLU 10 8.704 6.012 -2.986 74 HA GLU 10 HA GLU 10 7.321 5.885 -5.610 75 HB2 GLU 10 1HB GLU 10 9.329 4.074 -4.246 76 HB3 GLU 10 2HB GLU 10 8.596 3.716 -5.810 77 HG2 GLU 10 1HG GLU 10 9.488 5.797 -6.737 78 HG3 GLU 10 2HG GLU 10 10.168 6.228 -5.168 79 H ILE 11 H ILE 11 5.745 4.352 -6.060 80 HA ILE 11 HA ILE 11 4.655 2.805 -3.728 81 HB ILE 11 HB ILE 11 3.116 4.227 -5.920 82 HG12 ILE 11 1HG1 ILE 11 3.130 4.728 -2.928 83 HG13 ILE 11 2HG1 ILE 11 4.134 5.636 -4.057 84 HG21 ILE 11 1HG2 ILE 11 2.293 2.433 -3.626 85 HG22 ILE 11 2HG2 ILE 11 1.938 2.225 -5.340 86 HG23 ILE 11 3HG2 ILE 11 1.161 3.522 -4.431 87 HD11 ILE 11 3HD1 ILE 11 2.071 6.278 -5.312 88 HD12 ILE 11 1HD1 ILE 11 2.074 6.876 -3.653 89 HD13 ILE 11 2HD1 ILE 11 1.107 5.464 -4.081 90 H GLU 12 H GLU 12 4.445 0.691 -4.104 91 HA GLU 12 HA GLU 12 4.443 -0.290 -6.933 92 HB2 GLU 12 1HB GLU 12 6.582 -0.738 -5.735 93 HB3 GLU 12 2HB GLU 12 5.675 -1.674 -4.546 94 HG2 GLU 12 1HG GLU 12 6.564 -3.212 -6.200 95 HG3 GLU 12 2HG GLU 12 4.820 -3.111 -6.433 96 HA PRO 13 HA PRO 13 0.624 -1.807 -4.859 97 HB2 PRO 13 1HB PRO 13 -1.024 -1.653 -7.022 98 HB3 PRO 13 2HB PRO 13 -0.595 -0.239 -6.039 99 HG2 PRO 13 1HG PRO 13 0.459 -1.085 -8.693 100 HG3 PRO 13 2HG PRO 13 0.121 0.542 -8.080 101 HD2 PRO 13 1HD PRO 13 2.645 -0.614 -8.189 102 HD3 PRO 13 2HD PRO 13 2.211 0.740 -7.126 103 H GLY 14 H GLY 14 -0.613 -3.760 -5.079 104 HA2 GLY 14 1HA GLY 14 -0.261 -5.628 -7.235 105 HA3 GLY 14 2HA GLY 14 0.819 -6.040 -5.902 106 H HIS 15 H HIS 15 -0.131 -7.768 -4.934 107 HA HIS 15 HA HIS 15 -2.679 -7.376 -3.553 108 HB2 HIS 15 1HB HIS 15 -3.818 -9.297 -4.574 109 HB3 HIS 15 2HB HIS 15 -3.451 -8.078 -5.791 110 HD1 HIS 15 HD1 HIS 15 -0.797 -8.577 -6.820 111 HD2 HIS 15 HD2 HIS 15 -3.144 -11.780 -5.551 112 HE1 HIS 15 HE1 HIS 15 0.149 -10.645 -7.935 113 H GLN 16 H GLN 16 -2.706 -8.574 -1.713 114 HA GLN 16 HA GLN 16 -1.365 -11.128 -1.449 115 HB2 GLN 16 1HB GLN 16 0.615 -9.650 -1.342 116 HB3 GLN 16 2HB GLN 16 -0.131 -8.757 -0.015 117 HG2 GLN 16 1HG GLN 16 -0.123 -10.728 1.397 118 HG3 GLN 16 2HG GLN 16 0.426 -11.736 0.059 119 HE21 GLN 16 2HE2 GLN 16 2.548 -12.295 0.617 120 HE22 GLN 16 1HE2 GLN 16 3.745 -11.182 1.074 121 H TYR 17 H TYR 17 -1.784 -12.082 0.626 122 HA TYR 17 HA TYR 17 -3.962 -10.712 2.165 123 HB2 TYR 17 1HB TYR 17 -4.836 -12.903 2.678 124 HB3 TYR 17 2HB TYR 17 -4.580 -12.820 0.938 125 HD1 TYR 17 HD2 TYR 17 -2.761 -14.073 -0.138 126 HD2 TYR 17 HD1 TYR 17 -3.396 -14.264 4.107 127 HE1 TYR 17 HE2 TYR 17 -1.273 -16.054 -0.002 128 HE2 TYR 17 HE1 TYR 17 -1.911 -16.245 4.242 129 HH TYR 17 HH TYR 17 -1.182 -18.114 2.548 130 H ARG 18 H ARG 18 -3.861 -10.677 4.370 131 HA ARG 18 HA ARG 18 -1.193 -11.289 5.556 132 HB2 ARG 18 1HB ARG 18 -3.484 -9.525 6.431 133 HB3 ARG 18 2HB ARG 18 -2.109 -9.884 7.476 134 HG2 ARG 18 1HG ARG 18 -0.573 -8.985 5.760 135 HG3 ARG 18 2HG ARG 18 -1.952 -8.618 4.723 136 HD2 ARG 18 1HD ARG 18 -2.856 -7.102 6.434 137 HD3 ARG 18 2HD ARG 18 -1.500 -7.477 7.496 138 HE ARG 18 HE ARG 18 -1.401 -5.772 5.096 139 HH11 ARG 18 1HH2 ARG 18 0.285 -7.569 7.520 140 HH12 ARG 18 2HH2 ARG 18 1.763 -6.692 7.315 141 HH21 ARG 18 1HH1 ARG 18 0.515 -4.631 4.828 142 HH22 ARG 18 2HH1 ARG 18 1.894 -5.034 5.795 143 H ASP 19 H ASP 19 -0.947 -12.760 7.151 144 HA ASP 19 HA ASP 19 -2.950 -14.785 7.557 145 HB2 ASP 19 1HB ASP 19 -0.344 -14.152 8.961 146 HB3 ASP 19 2HB ASP 19 -1.322 -15.566 9.349 147 H ASP 20 H ASP 20 -2.288 -11.775 9.123 148 HA ASP 20 HA ASP 20 -3.384 -12.345 11.718 149 HB2 ASP 20 1HB ASP 20 -3.100 -9.787 10.134 150 HB3 ASP 20 2HB ASP 20 -3.758 -9.820 11.770 151 H ILE 21 H ILE 21 -4.846 -11.116 8.723 152 HA ILE 21 HA ILE 21 -7.560 -11.451 9.959 153 HB ILE 21 HB ILE 21 -8.276 -10.000 7.977 154 HG12 ILE 21 1HG1 ILE 21 -5.317 -9.339 7.881 155 HG13 ILE 21 2HG1 ILE 21 -6.093 -10.420 6.724 156 HG21 ILE 21 1HG2 ILE 21 -8.052 -9.146 10.282 157 HG22 ILE 21 2HG2 ILE 21 -7.563 -7.928 9.105 158 HG23 ILE 21 3HG2 ILE 21 -6.341 -8.831 9.999 159 HD11 ILE 21 3HD1 ILE 21 -5.886 -7.907 6.089 160 HD12 ILE 21 1HD1 ILE 21 -7.202 -7.658 7.237 161 HD13 ILE 21 2HD1 ILE 21 -7.440 -8.699 5.832 162 H ARG 22 H ARG 22 -5.362 -12.898 7.923 163 HA ARG 22 HA ARG 22 -5.515 -14.526 6.245 164 HB2 ARG 22 1HB ARG 22 -7.996 -15.158 7.873 165 HB3 ARG 22 2HB ARG 22 -7.269 -16.243 6.685 166 HG2 ARG 22 1HG ARG 22 -5.160 -16.251 7.953 167 HG3 ARG 22 2HG ARG 22 -5.854 -15.136 9.131 168 HD2 ARG 22 1HD ARG 22 -5.981 -17.424 9.991 169 HD3 ARG 22 2HD ARG 22 -7.604 -16.819 9.660 170 HE ARG 22 HE ARG 22 -7.779 -18.368 7.857 171 HH11 ARG 22 1HH2 ARG 22 -4.586 -18.230 9.183 172 HH12 ARG 22 2HH2 ARG 22 -4.048 -19.647 8.346 173 HH21 ARG 22 1HH1 ARG 22 -7.082 -20.203 6.773 174 HH22 ARG 22 2HH1 ARG 22 -5.456 -20.761 6.984 175 H LYS 23 H LYS 23 -6.427 -12.075 5.362 176 HA LYS 23 HA LYS 23 -8.407 -12.926 3.324 177 HB2 LYS 23 1HB LYS 23 -8.758 -10.583 5.196 178 HB3 LYS 23 2HB LYS 23 -9.585 -10.672 3.640 179 HG2 LYS 23 1HG LYS 23 -10.578 -12.832 4.285 180 HG3 LYS 23 2HG LYS 23 -9.758 -12.749 5.843 181 HD2 LYS 23 1HD LYS 23 -10.975 -10.705 6.411 182 HD3 LYS 23 2HD LYS 23 -11.748 -10.703 4.824 183 HE2 LYS 23 1HE LYS 23 -13.281 -11.661 6.467 184 HE3 LYS 23 2HE LYS 23 -12.758 -12.919 5.349 185 HZ1 LYS 23 3HZ LYS 23 -11.794 -14.038 6.989 186 HZ2 LYS 23 1HZ LYS 23 -12.575 -12.996 8.076 187 HZ3 LYS 23 2HZ LYS 23 -10.988 -12.660 7.571 188 H TYR 24 H TYR 24 -8.517 -11.369 1.519 189 HA TYR 24 HA TYR 24 -5.828 -10.378 0.876 190 HB2 TYR 24 1HB TYR 24 -8.388 -10.544 -0.723 191 HB3 TYR 24 2HB TYR 24 -6.868 -9.923 -1.366 192 HD1 TYR 24 HD1 TYR 24 -8.585 -12.924 -0.040 193 HD2 TYR 24 HD2 TYR 24 -5.022 -11.384 -1.876 194 HE1 TYR 24 HE1 TYR 24 -7.822 -15.238 -0.499 195 HE2 TYR 24 HE2 TYR 24 -4.258 -13.697 -2.336 196 HH TYR 24 HH TYR 24 -5.604 -16.048 -2.650 197 H VAL 25 H VAL 25 -5.217 -8.303 0.898 198 HA VAL 25 HA VAL 25 -7.286 -6.171 0.906 199 HB VAL 25 HB VAL 25 -6.283 -5.055 2.828 200 HG11 VAL 25 1HG1 VAL 25 -7.099 -6.479 4.515 201 HG12 VAL 25 2HG1 VAL 25 -6.620 -7.936 3.646 202 HG13 VAL 25 3HG1 VAL 25 -7.988 -6.977 3.077 203 HG21 VAL 25 3HG2 VAL 25 -4.517 -6.299 4.144 204 HG22 VAL 25 1HG2 VAL 25 -3.964 -5.673 2.592 205 HG23 VAL 25 2HG2 VAL 25 -4.346 -7.386 2.766 206 HA PRO 26 HA PRO 26 -4.711 -4.066 -2.016 207 HB2 PRO 26 1HB PRO 26 -4.662 -1.763 -0.100 208 HB3 PRO 26 2HB PRO 26 -5.092 -1.787 -1.820 209 HG2 PRO 26 1HG PRO 26 -6.921 -1.691 0.227 210 HG3 PRO 26 2HG PRO 26 -7.267 -2.314 -1.394 211 HD2 PRO 26 1HD PRO 26 -7.095 -3.799 1.111 212 HD3 PRO 26 2HD PRO 26 -7.641 -4.363 -0.477 213 H TYR 27 H TYR 27 -2.678 -4.908 -2.054 214 HA TYR 27 HA TYR 27 -0.849 -4.398 0.254 215 HB2 TYR 27 1HB TYR 27 -1.255 -6.752 -0.564 216 HB3 TYR 27 2HB TYR 27 -0.451 -6.295 -2.066 217 HD1 TYR 27 HD1 TYR 27 -0.005 -6.512 1.623 218 HD2 TYR 27 HD2 TYR 27 1.922 -6.173 -2.201 219 HE1 TYR 27 HE1 TYR 27 2.198 -6.877 2.701 220 HE2 TYR 27 HE2 TYR 27 4.124 -6.538 -1.124 221 HH TYR 27 HH TYR 27 4.663 -7.880 1.547 222 H ALA 28 H ALA 28 0.546 -2.774 0.028 223 HA ALA 28 HA ALA 28 1.809 -2.299 -2.635 224 HB1 ALA 28 3HB ALA 28 1.469 0.294 -1.702 225 HB2 ALA 28 1HB ALA 28 -0.045 -0.475 -1.234 226 HB3 ALA 28 2HB ALA 28 0.457 -0.474 -2.923 227 H LEU 29 H LEU 29 3.884 -1.493 -2.488 228 HA LEU 29 HA LEU 29 5.079 -1.423 0.264 229 HB2 LEU 29 1HB LEU 29 6.455 -1.933 -2.387 230 HB3 LEU 29 2HB LEU 29 7.160 -2.107 -0.782 231 HG LEU 29 HG LEU 29 4.824 -3.719 -1.861 232 HD11 LEU 29 1HD1 LEU 29 6.450 -5.605 -1.765 233 HD12 LEU 29 2HD1 LEU 29 7.720 -4.459 -1.342 234 HD13 LEU 29 3HD1 LEU 29 6.934 -4.361 -2.918 235 HD21 LEU 29 3HD2 LEU 29 5.468 -5.089 0.283 236 HD22 LEU 29 1HD2 LEU 29 4.489 -3.638 0.464 237 HD23 LEU 29 2HD2 LEU 29 6.217 -3.584 0.815 238 H ILE 30 H ILE 30 5.804 0.498 0.933 239 HA ILE 30 HA ILE 30 6.089 2.713 -1.053 240 HB ILE 30 HB ILE 30 5.778 2.795 1.963 241 HG12 ILE 30 1HG1 ILE 30 3.832 3.590 -0.224 242 HG13 ILE 30 2HG1 ILE 30 3.780 2.034 0.603 243 HG21 ILE 30 1HG2 ILE 30 6.018 4.930 -0.168 244 HG22 ILE 30 2HG2 ILE 30 7.006 4.728 1.277 245 HG23 ILE 30 3HG2 ILE 30 5.330 5.257 1.424 246 HD11 ILE 30 3HD1 ILE 30 2.224 3.708 1.606 247 HD12 ILE 30 1HD1 ILE 30 3.612 4.723 1.993 248 HD13 ILE 30 2HD1 ILE 30 3.438 3.140 2.750 249 H ARG 31 H ARG 31 8.062 3.438 -1.520 250 HA ARG 31 HA ARG 31 10.322 2.910 0.383 251 HB2 ARG 31 1HB ARG 31 10.313 2.622 -2.634 252 HB3 ARG 31 2HB ARG 31 11.754 2.533 -1.622 253 HG2 ARG 31 1HG ARG 31 10.802 0.618 -0.405 254 HG3 ARG 31 2HG ARG 31 9.341 0.711 -1.390 255 HD2 ARG 31 1HD ARG 31 10.699 0.315 -3.422 256 HD3 ARG 31 2HD ARG 31 12.142 0.170 -2.421 257 HE ARG 31 HE ARG 31 9.981 -1.823 -2.650 258 HH11 ARG 31 1HH2 ARG 31 12.789 -0.675 -0.978 259 HH12 ARG 31 2HH2 ARG 31 13.109 -2.201 -0.226 260 HH21 ARG 31 1HH1 ARG 31 10.402 -3.797 -1.677 261 HH22 ARG 31 2HH1 ARG 31 11.762 -3.962 -0.619 262 H LYS 32 H LYS 32 11.669 4.622 0.691 263 HA LYS 32 HA LYS 32 10.954 7.188 -0.630 264 HB2 LYS 32 1HB LYS 32 11.120 7.083 1.853 265 HB3 LYS 32 2HB LYS 32 12.822 6.646 1.695 266 HG2 LYS 32 1HG LYS 32 13.285 8.754 0.536 267 HG3 LYS 32 2HG LYS 32 11.577 9.185 0.608 268 HD2 LYS 32 1HD LYS 32 11.672 9.160 3.074 269 HD3 LYS 32 2HD LYS 32 13.384 8.740 3.001 270 HE2 LYS 32 1HE LYS 32 12.869 11.216 3.337 271 HE3 LYS 32 2HE LYS 32 13.953 10.835 1.999 272 HZ1 LYS 32 3HZ LYS 32 11.987 12.428 1.607 273 HZ2 LYS 32 1HZ LYS 32 11.048 11.017 1.548 274 HZ3 LYS 32 2HZ LYS 32 12.321 11.235 0.444 275 H VAL 33 H VAL 33 12.237 8.075 -2.142 276 HA VAL 33 HA VAL 33 14.472 6.630 -3.227 277 HB VAL 33 HB VAL 33 13.625 9.505 -3.685 278 HG11 VAL 33 1HG1 VAL 33 15.498 7.631 -5.144 279 HG12 VAL 33 2HG1 VAL 33 15.850 9.239 -4.513 280 HG13 VAL 33 3HG1 VAL 33 14.796 9.053 -5.915 281 HG21 VAL 33 3HG2 VAL 33 12.471 8.564 -5.668 282 HG22 VAL 33 1HG2 VAL 33 11.835 7.880 -4.173 283 HG23 VAL 33 2HG2 VAL 33 12.949 6.943 -5.168 284 H GLY 34 H GLY 34 16.581 6.758 -2.744 285 HA2 GLY 34 1HA GLY 34 18.508 8.312 -2.221 286 HA3 GLY 34 2HA GLY 34 17.525 8.922 -0.887 287 H VAL 35 H VAL 35 16.457 6.389 -0.064 288 HA VAL 35 HA VAL 35 18.770 4.668 0.561 289 HB VAL 35 HB VAL 35 18.281 4.847 3.042 290 HG11 VAL 35 1HG1 VAL 35 19.160 7.470 1.813 291 HG12 VAL 35 2HG1 VAL 35 20.177 6.030 1.817 292 HG13 VAL 35 3HG1 VAL 35 19.684 6.766 3.342 293 HG21 VAL 35 3HG2 VAL 35 16.008 5.989 2.573 294 HG22 VAL 35 1HG2 VAL 35 16.941 7.464 2.318 295 HG23 VAL 35 2HG2 VAL 35 16.983 6.655 3.884 296 HA PRO 36 HA PRO 36 14.504 2.688 0.432 297 HB2 PRO 36 1HB PRO 36 14.778 1.267 -1.894 298 HB3 PRO 36 2HB PRO 36 14.157 2.928 -1.843 299 HG2 PRO 36 1HG PRO 36 16.871 1.945 -2.586 300 HG3 PRO 36 2HG PRO 36 15.924 3.275 -3.273 301 HD2 PRO 36 1HD PRO 36 17.999 3.627 -1.465 302 HD3 PRO 36 2HD PRO 36 16.676 4.789 -1.699 303 H ASP 37 H ASP 37 14.263 0.125 -0.229 304 HA ASP 37 HA ASP 37 14.749 -2.038 0.516 305 HB2 ASP 37 1HB ASP 37 17.542 -1.033 -0.096 306 HB3 ASP 37 2HB ASP 37 17.197 -2.697 0.376 307 H ARG 38 H ARG 38 14.392 0.006 2.470 308 HA ARG 38 HA ARG 38 16.180 -0.961 4.673 309 HB2 ARG 38 1HB ARG 38 14.848 1.711 4.206 310 HB3 ARG 38 2HB ARG 38 15.520 1.249 5.769 311 HG2 ARG 38 1HG ARG 38 17.210 1.009 3.279 312 HG3 ARG 38 2HG ARG 38 17.029 2.573 4.070 313 HD2 ARG 38 1HD ARG 38 17.793 1.550 6.208 314 HD3 ARG 38 2HD ARG 38 18.054 0.029 5.363 315 HE ARG 38 HE ARG 38 19.467 2.373 4.271 316 HH11 ARG 38 1HH2 ARG 38 19.486 -0.475 6.241 317 HH12 ARG 38 2HH2 ARG 38 21.208 -0.637 6.202 318 HH21 ARG 38 1HH1 ARG 38 21.700 2.164 4.225 319 HH22 ARG 38 2HH1 ARG 38 22.459 0.854 5.065 320 H THR 39 H THR 39 14.843 -2.703 5.188 321 HA THR 39 HA THR 39 12.946 -3.782 6.074 322 HB THR 39 HB THR 39 12.788 -1.303 7.796 323 HG1 THR 39 HG1 THR 39 14.948 -2.583 7.319 324 HG21 THR 39 3HG2 THR 39 12.362 -4.250 8.352 325 HG22 THR 39 1HG2 THR 39 11.080 -3.061 8.123 326 HG23 THR 39 2HG2 THR 39 12.157 -2.941 9.515 327 HA PRO 40 HA PRO 40 10.049 -1.238 3.484 328 HB2 PRO 40 1HB PRO 40 9.067 -3.996 2.875 329 HB3 PRO 40 2HB PRO 40 9.429 -2.657 1.765 330 HG2 PRO 40 1HG PRO 40 11.070 -4.734 1.960 331 HG3 PRO 40 2HG PRO 40 11.705 -3.089 1.781 332 HD2 PRO 40 1HD PRO 40 11.531 -4.778 4.266 333 HD3 PRO 40 2HD PRO 40 12.844 -3.706 3.727 334 H ILE 41 H ILE 41 7.956 -0.668 3.971 335 HA ILE 41 HA ILE 41 6.542 -2.229 6.107 336 HB ILE 41 HB ILE 41 6.435 0.774 5.763 337 HG12 ILE 41 1HG1 ILE 41 7.850 0.396 8.079 338 HG13 ILE 41 2HG1 ILE 41 8.428 -0.991 7.159 339 HG21 ILE 41 1HG2 ILE 41 4.538 -0.371 6.908 340 HG22 ILE 41 2HG2 ILE 41 5.445 0.675 8.001 341 HG23 ILE 41 3HG2 ILE 41 5.683 -1.070 8.052 342 HD11 ILE 41 3HD1 ILE 41 8.858 0.675 5.246 343 HD12 ILE 41 1HD1 ILE 41 9.932 0.767 6.641 344 HD13 ILE 41 2HD1 ILE 41 8.626 1.931 6.455 345 HA PRO 42 HA PRO 42 3.963 -2.259 2.271 346 HB2 PRO 42 1HB PRO 42 2.546 -4.267 3.984 347 HB3 PRO 42 2HB PRO 42 3.031 -4.380 2.280 348 HG2 PRO 42 1HG PRO 42 4.363 -5.673 4.206 349 HG3 PRO 42 2HG PRO 42 5.194 -4.985 2.798 350 HD2 PRO 42 1HD PRO 42 5.121 -3.988 5.615 351 HD3 PRO 42 2HD PRO 42 6.414 -3.852 4.406 352 H THR 43 H THR 43 2.047 -1.194 1.899 353 HA THR 43 HA THR 43 0.607 -0.128 4.297 354 HB THR 43 HB THR 43 1.671 1.550 2.799 355 HG1 THR 43 HG1 THR 43 -0.283 2.759 2.556 356 HG21 THR 43 3HG2 THR 43 0.955 1.875 0.565 357 HG22 THR 43 1HG2 THR 43 -0.417 0.786 0.758 358 HG23 THR 43 2HG2 THR 43 1.224 0.136 0.693 359 H THR 44 H THR 44 -1.477 -0.552 4.567 360 HA THR 44 HA THR 44 -3.075 -1.706 2.335 361 HB THR 44 HB THR 44 -3.908 -3.496 3.747 362 HG1 THR 44 HG1 THR 44 -3.181 -1.980 5.691 363 HG21 THR 44 3HG2 THR 44 -1.615 -3.637 2.519 364 HG22 THR 44 1HG2 THR 44 -2.017 -4.880 3.703 365 HG23 THR 44 2HG2 THR 44 -0.927 -3.566 4.142 366 H TYR 45 H TYR 45 -5.427 -1.754 2.955 367 HA TYR 45 HA TYR 45 -6.090 0.328 4.972 368 HB2 TYR 45 1HB TYR 45 -6.031 1.117 2.477 369 HB3 TYR 45 2HB TYR 45 -7.566 0.261 2.350 370 HD1 TYR 45 HD1 TYR 45 -5.811 2.615 4.695 371 HD2 TYR 45 HD2 TYR 45 -9.510 1.485 2.828 372 HE1 TYR 45 HE1 TYR 45 -6.948 4.511 5.807 373 HE2 TYR 45 HE2 TYR 45 -10.647 3.388 3.937 374 HH TYR 45 HH TYR 45 -8.859 5.837 5.668 375 HA PRO 46 HA PRO 46 -8.918 -2.804 6.487 376 HB2 PRO 46 1HB PRO 46 -10.709 -0.415 6.853 377 HB3 PRO 46 2HB PRO 46 -10.323 -1.717 7.997 378 HG2 PRO 46 1HG PRO 46 -9.180 0.701 8.181 379 HG3 PRO 46 2HG PRO 46 -8.303 -0.786 8.588 380 HD2 PRO 46 1HD PRO 46 -7.958 1.001 6.241 381 HD3 PRO 46 2HD PRO 46 -6.811 -0.127 6.993 382 H GLU 47 H GLU 47 -9.097 -3.469 4.144 383 HA GLU 47 HA GLU 47 -11.903 -3.325 3.286 384 HB2 GLU 47 1HB GLU 47 -9.638 -2.264 1.576 385 HB3 GLU 47 2HB GLU 47 -11.213 -2.715 0.924 386 HG2 GLU 47 1HG GLU 47 -12.250 -1.120 2.603 387 HG3 GLU 47 2HG GLU 47 -10.618 -0.561 2.963 388 H PHE 48 H PHE 48 -12.468 -5.111 2.042 389 HA PHE 48 HA PHE 48 -10.313 -7.167 1.640 390 HB2 PHE 48 1HB PHE 48 -13.272 -7.657 2.051 391 HB3 PHE 48 2HB PHE 48 -11.980 -8.857 2.048 392 HD1 PHE 48 HD2 PHE 48 -9.998 -8.356 3.754 393 HD2 PHE 48 HD1 PHE 48 -13.995 -6.825 4.120 394 HE1 PHE 48 HE2 PHE 48 -9.636 -7.984 6.180 395 HE2 PHE 48 HE1 PHE 48 -13.630 -6.454 6.545 396 HZ PHE 48 HZ PHE 48 -11.451 -7.034 7.574 397 H TYR 49 H TYR 49 -9.806 -7.171 -0.467 398 HA TYR 49 HA TYR 49 -12.039 -7.161 -2.476 399 HB2 TYR 49 1HB TYR 49 -9.318 -5.849 -2.612 400 HB3 TYR 49 2HB TYR 49 -10.293 -6.155 -4.049 401 HD1 TYR 49 HD1 TYR 49 -12.874 -5.431 -3.761 402 HD2 TYR 49 HD2 TYR 49 -9.565 -3.750 -1.598 403 HE1 TYR 49 HE1 TYR 49 -14.204 -3.396 -3.309 404 HE2 TYR 49 HE2 TYR 49 -10.897 -1.708 -1.154 405 HH TYR 49 HH TYR 49 -12.770 -0.552 -1.844 406 H ASP 50 H ASP 50 -12.092 -8.886 -3.746 407 HA ASP 50 HA ASP 50 -9.911 -10.891 -3.577 408 HB2 ASP 50 1HB ASP 50 -12.714 -10.951 -4.733 409 HB3 ASP 50 2HB ASP 50 -11.583 -12.299 -4.867 410 H LEU 51 H LEU 51 -11.314 -8.552 -5.735 411 HA LEU 51 HA LEU 51 -10.133 -9.655 -8.168 412 HB2 LEU 51 1HB LEU 51 -11.258 -6.886 -7.661 413 HB3 LEU 51 2HB LEU 51 -10.956 -7.615 -9.238 414 HG LEU 51 HG LEU 51 -12.888 -8.692 -7.159 415 HD11 LEU 51 1HD1 LEU 51 -13.666 -6.580 -8.174 416 HD12 LEU 51 2HD1 LEU 51 -14.637 -7.942 -8.732 417 HD13 LEU 51 3HD1 LEU 51 -13.399 -7.253 -9.783 418 HD21 LEU 51 3HD2 LEU 51 -13.630 -10.005 -9.304 419 HD22 LEU 51 1HD2 LEU 51 -12.210 -10.562 -8.423 420 HD23 LEU 51 2HD2 LEU 51 -12.016 -9.615 -9.899 421 H GLU 52 H GLU 52 -8.306 -8.989 -9.213 422 HA GLU 52 HA GLU 52 -6.179 -7.860 -7.611 423 HB2 GLU 52 1HB GLU 52 -5.875 -9.551 -9.459 424 HB3 GLU 52 2HB GLU 52 -6.258 -8.273 -10.611 425 HG2 GLU 52 1HG GLU 52 -3.862 -8.381 -10.463 426 HG3 GLU 52 2HG GLU 52 -4.362 -6.931 -9.594 427 H ALA 53 H ALA 53 -8.244 -6.648 -10.216 428 HA ALA 53 HA ALA 53 -6.909 -4.169 -10.665 429 HB1 ALA 53 3HB ALA 53 -9.844 -4.888 -10.903 430 HB2 ALA 53 1HB ALA 53 -8.640 -4.973 -12.188 431 HB3 ALA 53 2HB ALA 53 -9.130 -3.407 -11.540 432 H ASP 54 H ASP 54 -9.608 -4.975 -8.490 433 HA ASP 54 HA ASP 54 -9.927 -2.351 -7.389 434 HB2 ASP 54 1HB ASP 54 -10.554 -5.111 -6.323 435 HB3 ASP 54 2HB ASP 54 -10.962 -3.642 -5.437 436 H ALA 55 H ALA 55 -8.003 -5.144 -6.330 437 HA ALA 55 HA ALA 55 -6.992 -3.979 -3.923 438 HB1 ALA 55 3HB ALA 55 -5.798 -6.062 -5.774 439 HB2 ALA 55 1HB ALA 55 -6.777 -6.370 -4.340 440 HB3 ALA 55 2HB ALA 55 -5.159 -5.681 -4.175 441 H GLU 56 H GLU 56 -5.644 -4.078 -7.217 442 HA GLU 56 HA GLU 56 -3.271 -2.569 -6.567 443 HB2 GLU 56 1HB GLU 56 -4.700 -3.095 -9.185 444 HB3 GLU 56 2HB GLU 56 -3.143 -2.272 -9.076 445 HG2 GLU 56 1HG GLU 56 -2.151 -4.232 -7.997 446 HG3 GLU 56 2HG GLU 56 -3.710 -5.053 -8.004 447 H ARG 57 H ARG 57 -6.396 -1.662 -8.011 448 HA ARG 57 HA ARG 57 -5.772 1.107 -8.390 449 HB2 ARG 57 1HB ARG 57 -8.386 -0.362 -7.994 450 HB3 ARG 57 2HB ARG 57 -8.314 1.360 -8.358 451 HG2 ARG 57 1HG ARG 57 -6.836 -0.600 -10.112 452 HG3 ARG 57 2HG ARG 57 -8.571 -0.375 -10.325 453 HD2 ARG 57 1HD ARG 57 -6.487 1.835 -10.432 454 HD3 ARG 57 2HD ARG 57 -7.318 1.133 -11.819 455 HE ARG 57 HE ARG 57 -9.334 2.022 -10.075 456 HH11 ARG 57 1HH2 ARG 57 -6.662 3.323 -11.840 457 HH12 ARG 57 2HH2 ARG 57 -7.402 4.874 -12.058 458 HH21 ARG 57 1HH1 ARG 57 -10.295 4.037 -10.350 459 HH22 ARG 57 2HH1 ARG 57 -9.452 5.278 -11.216 460 H VAL 58 H VAL 58 -7.372 -0.591 -5.730 461 HA VAL 58 HA VAL 58 -7.815 1.754 -4.124 462 HB VAL 58 HB VAL 58 -7.619 -1.183 -3.408 463 HG11 VAL 58 1HG1 VAL 58 -7.145 0.007 -1.385 464 HG12 VAL 58 2HG1 VAL 58 -8.860 -0.398 -1.311 465 HG13 VAL 58 3HG1 VAL 58 -8.358 1.235 -1.744 466 HG21 VAL 58 3HG2 VAL 58 -9.499 -0.259 -4.928 467 HG22 VAL 58 1HG2 VAL 58 -10.077 0.577 -3.486 468 HG23 VAL 58 2HG2 VAL 58 -9.991 -1.185 -3.510 469 H SER 59 H SER 59 -5.216 -0.661 -4.224 470 HA SER 59 HA SER 59 -3.756 0.188 -1.957 471 HB2 SER 59 1HB SER 59 -1.811 -0.864 -3.042 472 HB3 SER 59 2HB SER 59 -3.241 -1.869 -3.241 473 HG SER 59 HG SER 59 -3.440 -1.140 -5.329 474 H ILE 60 H ILE 60 -3.601 1.375 -5.311 475 HA ILE 60 HA ILE 60 -1.449 3.228 -4.884 476 HB ILE 60 HB ILE 60 -3.734 3.230 -6.880 477 HG12 ILE 60 1HG1 ILE 60 -0.808 2.535 -7.255 478 HG13 ILE 60 2HG1 ILE 60 -2.055 1.336 -6.916 479 HG21 ILE 60 1HG2 ILE 60 -1.282 4.986 -6.643 480 HG22 ILE 60 2HG2 ILE 60 -2.967 5.488 -6.781 481 HG23 ILE 60 3HG2 ILE 60 -2.145 4.772 -8.167 482 HD11 ILE 60 3HD1 ILE 60 -3.269 1.981 -8.944 483 HD12 ILE 60 1HD1 ILE 60 -1.611 1.545 -9.351 484 HD13 ILE 60 2HD1 ILE 60 -2.081 3.243 -9.274 485 H ALA 61 H ALA 61 -4.987 3.623 -4.760 486 HA ALA 61 HA ALA 61 -4.936 6.430 -4.122 487 HB1 ALA 61 3HB ALA 61 -7.286 6.103 -3.471 488 HB2 ALA 61 1HB ALA 61 -7.046 4.356 -3.458 489 HB3 ALA 61 2HB ALA 61 -6.950 5.245 -4.977 490 H CYS 62 H CYS 62 -5.339 3.542 -2.075 491 HA CYS 62 HA CYS 62 -5.462 4.926 0.419 492 HB2 CYS 62 1HB CYS 62 -4.486 2.135 -0.248 493 HB3 CYS 62 2HB CYS 62 -4.759 2.721 1.392 494 HG CYS 62 HG CYS 62 -6.903 1.634 -0.334 495 H ALA 63 H ALA 63 -2.748 3.793 -1.522 496 HA ALA 63 HA ALA 63 -0.666 4.124 0.388 497 HB1 ALA 63 3HB ALA 63 -0.239 3.022 -1.742 498 HB2 ALA 63 1HB ALA 63 0.802 4.444 -1.634 499 HB3 ALA 63 2HB ALA 63 -0.658 4.490 -2.621 500 H LYS 64 H LYS 64 -2.159 6.441 -1.857 501 HA LYS 64 HA LYS 64 -0.410 8.641 -1.273 502 HB2 LYS 64 1HB LYS 64 -3.293 8.566 -2.203 503 HB3 LYS 64 2HB LYS 64 -2.327 10.040 -2.136 504 HG2 LYS 64 1HG LYS 64 -0.689 9.054 -3.683 505 HG3 LYS 64 2HG LYS 64 -1.625 7.558 -3.735 506 HD2 LYS 64 1HD LYS 64 -3.565 8.834 -4.634 507 HD3 LYS 64 2HD LYS 64 -2.572 10.292 -4.650 508 HE2 LYS 64 1HE LYS 64 -1.860 7.745 -6.133 509 HE3 LYS 64 2HE LYS 64 -2.679 9.121 -6.873 510 HZ1 LYS 64 3HZ LYS 64 -0.421 9.440 -7.313 511 HZ2 LYS 64 1HZ LYS 64 0.051 9.006 -5.742 512 HZ3 LYS 64 2HZ LYS 64 -0.745 10.482 -6.010 513 H ILE 65 H ILE 65 -3.549 7.698 0.105 514 HA ILE 65 HA ILE 65 -3.676 9.878 1.987 515 HB ILE 65 HB ILE 65 -5.050 7.186 1.856 516 HG12 ILE 65 1HG1 ILE 65 -7.057 8.878 1.614 517 HG13 ILE 65 2HG1 ILE 65 -5.800 10.039 1.195 518 HG21 ILE 65 1HG2 ILE 65 -6.574 8.244 3.661 519 HG22 ILE 65 2HG2 ILE 65 -5.216 9.322 3.980 520 HG23 ILE 65 3HG2 ILE 65 -5.025 7.581 4.183 521 HD11 ILE 65 3HD1 ILE 65 -6.769 8.912 -0.800 522 HD12 ILE 65 1HD1 ILE 65 -6.214 7.364 -0.166 523 HD13 ILE 65 2HD1 ILE 65 -5.043 8.597 -0.632 524 H ILE 66 H ILE 66 -2.506 6.548 2.237 525 HA ILE 66 HA ILE 66 -1.961 6.594 5.029 526 HB ILE 66 HB ILE 66 -0.692 5.042 2.760 527 HG12 ILE 66 1HG1 ILE 66 -3.203 4.775 3.533 528 HG13 ILE 66 2HG1 ILE 66 -2.223 3.340 3.247 529 HG21 ILE 66 1HG2 ILE 66 -0.217 4.914 5.738 530 HG22 ILE 66 2HG2 ILE 66 0.972 4.938 4.436 531 HG23 ILE 66 3HG2 ILE 66 0.008 3.489 4.726 532 HD11 ILE 66 3HD1 ILE 66 -1.936 2.912 5.538 533 HD12 ILE 66 1HD1 ILE 66 -3.603 3.479 5.464 534 HD13 ILE 66 2HD1 ILE 66 -2.322 4.565 6.000 535 H ILE 67 H ILE 67 0.096 7.436 2.259 536 HA ILE 67 HA ILE 67 2.443 8.021 3.801 537 HB ILE 67 HB ILE 67 1.476 9.042 1.115 538 HG12 ILE 67 1HG1 ILE 67 3.710 7.106 1.773 539 HG13 ILE 67 2HG1 ILE 67 2.059 6.580 1.443 540 HG21 ILE 67 1HG2 ILE 67 2.986 10.718 1.832 541 HG22 ILE 67 2HG2 ILE 67 3.977 9.633 0.857 542 HG23 ILE 67 3HG2 ILE 67 4.047 9.548 2.617 543 HD11 ILE 67 3HD1 ILE 67 3.252 6.435 -0.635 544 HD12 ILE 67 1HD1 ILE 67 3.942 8.045 -0.425 545 HD13 ILE 67 2HD1 ILE 67 2.219 7.859 -0.756 546 H ASP 68 H ASP 68 -0.230 10.074 2.665 547 HA ASP 68 HA ASP 68 0.772 12.535 3.743 548 HB2 ASP 68 1HB ASP 68 -1.964 11.535 2.954 549 HB3 ASP 68 2HB ASP 68 -1.778 13.120 3.700 550 H SER 69 H SER 69 -1.434 10.079 5.056 551 HA SER 69 HA SER 69 -1.974 11.423 7.527 552 HB2 SER 69 1HB SER 69 -2.683 9.173 8.316 553 HB3 SER 69 2HB SER 69 -3.343 9.541 6.727 554 HG SER 69 HG SER 69 -1.208 7.838 7.440 555 H HIS 70 H HIS 70 0.409 8.904 6.692 556 HA HIS 70 HA HIS 70 1.609 8.484 9.170 557 HB2 HIS 70 1HB HIS 70 2.378 7.254 7.230 558 HB3 HIS 70 2HB HIS 70 2.915 8.739 6.446 559 HD1 HIS 70 HD1 HIS 70 3.577 7.127 9.851 560 HD2 HIS 70 HD2 HIS 70 5.638 9.006 6.753 561 HE1 HIS 70 HE1 HIS 70 6.010 7.201 10.550 562 H LEU 71 H LEU 71 2.243 11.145 6.902 563 HA LEU 71 HA LEU 71 4.288 12.411 8.459 564 HB2 LEU 71 1HB LEU 71 2.307 13.532 6.463 565 HB3 LEU 71 2HB LEU 71 3.642 14.466 7.138 566 HG LEU 71 HG LEU 71 3.999 11.829 5.686 567 HD11 LEU 71 1HD1 LEU 71 4.483 14.612 4.593 568 HD12 LEU 71 2HD1 LEU 71 3.040 13.661 4.241 569 HD13 LEU 71 3HD1 LEU 71 4.625 13.084 3.724 570 HD21 LEU 71 3HD2 LEU 71 5.858 13.885 6.872 571 HD22 LEU 71 1HD2 LEU 71 6.381 12.984 5.448 572 HD23 LEU 71 2HD2 LEU 71 5.959 12.126 6.925 573 H ASP 72 H ASP 72 0.771 12.771 8.420 574 HA ASP 72 HA ASP 72 0.974 14.128 11.082 575 HB2 ASP 72 1HB ASP 72 -0.626 15.037 8.681 576 HB3 ASP 72 2HB ASP 72 -0.974 15.583 10.322 577 H ARG 73 H ARG 73 0.510 11.805 11.597 578 HA ARG 73 HA ARG 73 -2.240 11.504 12.328 579 HB2 ARG 73 1HB ARG 73 -2.270 10.937 9.803 580 HB3 ARG 73 2HB ARG 73 -1.387 9.480 10.250 581 HG2 ARG 73 1HG ARG 73 -3.561 8.674 10.426 582 HG3 ARG 73 2HG ARG 73 -3.336 9.260 12.073 583 HD2 ARG 73 1HD ARG 73 -5.468 10.078 11.247 584 HD3 ARG 73 2HD ARG 73 -4.360 11.444 11.365 585 HE ARG 73 HE ARG 73 -4.383 11.618 9.003 586 HH11 ARG 73 1HH2 ARG 73 -5.769 8.652 10.107 587 HH12 ARG 73 2HH2 ARG 73 -6.394 8.220 8.552 588 HH21 ARG 73 1HH1 ARG 73 -5.195 11.066 6.982 589 HH22 ARG 73 2HH1 ARG 73 -6.070 9.585 6.785 590 H HIS 74 H HIS 74 -1.560 8.436 11.677 591 HA HIS 74 HA HIS 74 -0.978 7.614 14.281 592 HB2 HIS 74 1HB HIS 74 -1.727 6.155 12.376 593 HB3 HIS 74 2HB HIS 74 -0.070 6.183 11.773 594 HD1 HIS 74 HD1 HIS 74 1.741 4.948 13.179 595 HD2 HIS 74 HD2 HIS 74 -2.118 4.594 14.716 596 HE1 HIS 74 HE1 HIS 74 1.835 3.129 14.940 597 H ASP 75 H ASP 75 0.784 7.587 15.509 598 HA ASP 75 HA ASP 75 3.176 8.945 14.745 599 HB2 ASP 75 1HB ASP 75 4.053 8.144 16.922 600 HB3 ASP 75 2HB ASP 75 2.431 8.819 17.074 601 H GLN 76 H GLN 76 5.062 8.233 13.946 602 HA GLN 76 HA GLN 76 6.600 6.844 12.900 603 HB2 GLN 76 1HB GLN 76 6.805 5.969 15.213 604 HB3 GLN 76 2HB GLN 76 5.554 4.779 14.856 605 HG2 GLN 76 1HG GLN 76 6.919 3.762 13.135 606 HG3 GLN 76 2HG GLN 76 8.122 5.045 13.268 607 HE21 GLN 76 2HE2 GLN 76 9.456 2.890 13.671 608 HE22 GLN 76 1HE2 GLN 76 9.613 2.428 15.295 609 H GLY 77 H GLY 77 6.810 5.095 11.396 610 HA2 GLY 77 1HA GLY 77 5.002 3.143 10.646 611 HA3 GLY 77 2HA GLY 77 4.363 4.606 9.896 612 H LEU 78 H LEU 78 5.968 5.857 8.549 613 HA LEU 78 HA LEU 78 7.665 3.971 6.976 614 HB2 LEU 78 1HB LEU 78 6.719 6.754 6.236 615 HB3 LEU 78 2HB LEU 78 7.457 5.570 5.160 616 HG LEU 78 HG LEU 78 4.797 5.228 6.586 617 HD11 LEU 78 1HD1 LEU 78 4.600 6.871 4.808 618 HD12 LEU 78 2HD1 LEU 78 3.890 5.359 4.244 619 HD13 LEU 78 3HD1 LEU 78 5.497 5.835 3.697 620 HD21 LEU 78 3HD2 LEU 78 6.442 3.460 4.767 621 HD22 LEU 78 1HD2 LEU 78 4.688 3.288 4.838 622 HD23 LEU 78 2HD2 LEU 78 5.655 3.046 6.290 623 H ALA 79 H ALA 79 8.195 5.669 9.553 624 HA ALA 79 HA ALA 79 10.214 7.597 8.907 625 HB1 ALA 79 3HB ALA 79 10.718 7.601 11.238 626 HB2 ALA 79 1HB ALA 79 10.141 5.946 11.439 627 HB3 ALA 79 2HB ALA 79 8.992 7.248 11.142 628 H ASP 80 H ASP 80 10.274 4.120 9.155 629 HA ASP 80 HA ASP 80 13.118 3.796 9.499 630 HB2 ASP 80 1HB ASP 80 10.978 1.990 8.346 631 HB3 ASP 80 2HB ASP 80 12.654 1.481 8.553 632 H LEU 81 H LEU 81 11.187 4.743 6.827 633 HA LEU 81 HA LEU 81 13.229 3.962 4.818 634 HB2 LEU 81 1HB LEU 81 10.608 5.455 4.469 635 HB3 LEU 81 2HB LEU 81 11.599 4.777 3.177 636 HG LEU 81 HG LEU 81 10.296 3.174 5.400 637 HD11 LEU 81 1HD1 LEU 81 9.569 3.569 2.486 638 HD12 LEU 81 2HD1 LEU 81 8.587 3.966 3.894 639 HD13 LEU 81 3HD1 LEU 81 8.904 2.280 3.488 640 HD21 LEU 81 3HD2 LEU 81 10.939 1.290 3.680 641 HD22 LEU 81 1HD2 LEU 81 12.180 1.918 4.762 642 HD23 LEU 81 2HD2 LEU 81 12.106 2.474 3.090 643 H GLY 82 H GLY 82 12.801 6.442 6.968 644 HA2 GLY 82 1HA GLY 82 14.856 8.077 5.890 645 HA3 GLY 82 2HA GLY 82 13.312 8.785 5.410 Start of MODEL 8 1 H1 MET 1 1H MET 1 4.451 -3.377 -14.595 2 H2 MET 1 2H MET 1 5.609 -4.532 -14.133 3 H3 MET 1 3H MET 1 6.099 -2.985 -14.637 4 HA MET 1 HA MET 1 4.266 -3.093 -12.381 5 HB2 MET 1 1HB MET 1 5.887 -4.944 -11.943 6 HB3 MET 1 2HB MET 1 7.212 -3.795 -12.126 7 HG2 MET 1 1HG MET 1 6.724 -4.055 -9.758 8 HG3 MET 1 2HG MET 1 6.227 -2.442 -10.265 9 HE1 MET 1 3HE MET 1 5.243 -6.025 -9.420 10 HE2 MET 1 1HE MET 1 3.757 -5.765 -8.496 11 HE3 MET 1 2HE MET 1 5.271 -5.041 -7.960 12 H ASN 2 H ASN 2 4.064 -0.951 -13.505 13 HA ASN 2 HA ASN 2 6.376 0.860 -13.322 14 HB2 ASN 2 1HB ASN 2 4.784 0.991 -15.223 15 HB3 ASN 2 2HB ASN 2 3.509 1.450 -14.093 16 HD21 ASN 2 2HD2 ASN 2 3.841 3.395 -15.883 17 HD22 ASN 2 1HD2 ASN 2 4.806 4.667 -15.308 18 H VAL 3 H VAL 3 6.868 1.734 -11.423 19 HA VAL 3 HA VAL 3 4.919 1.949 -9.263 20 HB VAL 3 HB VAL 3 6.815 2.830 -7.966 21 HG11 VAL 3 1HG1 VAL 3 8.384 0.857 -8.389 22 HG12 VAL 3 2HG1 VAL 3 7.317 0.420 -9.722 23 HG13 VAL 3 3HG1 VAL 3 6.699 0.450 -8.071 24 HG21 VAL 3 3HG2 VAL 3 7.937 4.199 -9.602 25 HG22 VAL 3 1HG2 VAL 3 8.169 2.822 -10.680 26 HG23 VAL 3 2HG2 VAL 3 9.060 2.913 -9.160 27 H ALA 4 H ALA 4 4.279 3.893 -8.257 28 HA ALA 4 HA ALA 4 4.406 6.318 -10.021 29 HB1 ALA 4 3HB ALA 4 2.275 6.966 -8.956 30 HB2 ALA 4 1HB ALA 4 2.319 5.495 -7.984 31 HB3 ALA 4 2HB ALA 4 2.141 5.389 -9.735 32 H HIS 5 H HIS 5 5.095 8.220 -9.107 33 HA HIS 5 HA HIS 5 6.204 8.046 -6.344 34 HB2 HIS 5 1HB HIS 5 6.746 9.965 -8.622 35 HB3 HIS 5 2HB HIS 5 7.504 10.062 -7.032 36 HD1 HIS 5 HD1 HIS 5 9.536 9.630 -9.081 37 HD2 HIS 5 HD2 HIS 5 7.349 6.408 -7.602 38 HE1 HIS 5 HE1 HIS 5 10.903 7.554 -9.565 39 H TYR 6 H TYR 6 5.116 9.005 -4.768 40 HA TYR 6 HA TYR 6 3.066 11.067 -5.409 41 HB2 TYR 6 1HB TYR 6 2.380 9.042 -4.115 42 HB3 TYR 6 2HB TYR 6 3.512 9.506 -2.850 43 HD1 TYR 6 HD2 TYR 6 0.802 11.071 -4.920 44 HD2 TYR 6 HD1 TYR 6 2.639 10.744 -1.048 45 HE1 TYR 6 HE2 TYR 6 -0.910 12.589 -3.982 46 HE2 TYR 6 HE1 TYR 6 0.914 12.263 -0.111 47 HH TYR 6 HH TYR 6 -0.860 14.260 -1.731 48 H ARG 7 H ARG 7 4.271 10.893 -2.193 49 HA ARG 7 HA ARG 7 5.342 13.626 -2.441 50 HB2 ARG 7 1HB ARG 7 4.553 11.835 -0.155 51 HB3 ARG 7 2HB ARG 7 5.539 13.265 0.147 52 HG2 ARG 7 1HG ARG 7 3.019 13.516 -1.495 53 HG3 ARG 7 2HG ARG 7 2.905 13.436 0.262 54 HD2 ARG 7 1HD ARG 7 4.687 15.408 -1.199 55 HD3 ARG 7 2HD ARG 7 3.056 15.783 -0.651 56 HE ARG 7 HE ARG 7 4.463 14.741 1.566 57 HH11 ARG 7 1HH2 ARG 7 4.544 17.423 -0.603 58 HH12 ARG 7 2HH2 ARG 7 5.217 18.510 0.564 59 HH21 ARG 7 1HH1 ARG 7 5.343 16.143 3.090 60 HH22 ARG 7 2HH1 ARG 7 5.669 17.787 2.653 61 H GLY 8 H GLY 8 6.969 11.999 -3.798 62 HA2 GLY 8 1HA GLY 8 9.311 11.728 -3.963 63 HA3 GLY 8 2HA GLY 8 9.456 12.178 -2.264 64 H TYR 9 H TYR 9 7.077 9.871 -2.495 65 HA TYR 9 HA TYR 9 9.008 7.708 -1.740 66 HB2 TYR 9 1HB TYR 9 6.088 8.095 -1.043 67 HB3 TYR 9 2HB TYR 9 7.048 6.687 -0.589 68 HD1 TYR 9 HD1 TYR 9 8.923 6.890 0.999 69 HD2 TYR 9 HD2 TYR 9 6.440 10.257 0.023 70 HE1 TYR 9 HE1 TYR 9 9.812 8.113 2.963 71 HE2 TYR 9 HE2 TYR 9 7.329 11.481 1.990 72 HH TYR 9 HH TYR 9 8.651 11.389 3.768 73 H GLU 10 H GLU 10 9.003 5.808 -2.834 74 HA GLU 10 HA GLU 10 7.604 5.713 -5.395 75 HB2 GLU 10 1HB GLU 10 9.463 3.782 -3.990 76 HB3 GLU 10 2HB GLU 10 8.792 3.492 -5.596 77 HG2 GLU 10 1HG GLU 10 9.825 5.546 -6.431 78 HG3 GLU 10 2HG GLU 10 10.433 5.920 -4.819 79 H ILE 11 H ILE 11 5.900 4.387 -5.927 80 HA ILE 11 HA ILE 11 4.663 2.807 -3.698 81 HB ILE 11 HB ILE 11 3.331 4.338 -5.947 82 HG12 ILE 11 1HG1 ILE 11 3.201 4.734 -2.942 83 HG13 ILE 11 2HG1 ILE 11 4.272 5.652 -4.000 84 HG21 ILE 11 1HG2 ILE 11 2.269 2.509 -3.783 85 HG22 ILE 11 2HG2 ILE 11 2.038 2.365 -5.526 86 HG23 ILE 11 3HG2 ILE 11 1.247 3.666 -4.635 87 HD11 ILE 11 3HD1 ILE 11 2.441 6.645 -5.159 88 HD12 ILE 11 1HD1 ILE 11 2.029 6.748 -3.447 89 HD13 ILE 11 2HD1 ILE 11 1.287 5.509 -4.460 90 H GLU 12 H GLU 12 4.410 0.706 -4.102 91 HA GLU 12 HA GLU 12 4.370 -0.232 -6.936 92 HB2 GLU 12 1HB GLU 12 6.611 -0.560 -5.733 93 HB3 GLU 12 2HB GLU 12 5.767 -1.749 -4.738 94 HG2 GLU 12 1HG GLU 12 5.031 -2.901 -6.844 95 HG3 GLU 12 2HG GLU 12 6.037 -1.779 -7.758 96 HA PRO 13 HA PRO 13 0.769 -1.998 -4.696 97 HB2 PRO 13 1HB PRO 13 -0.938 -2.095 -6.815 98 HB3 PRO 13 2HB PRO 13 -0.612 -0.601 -5.915 99 HG2 PRO 13 1HG PRO 13 0.439 -1.484 -8.557 100 HG3 PRO 13 2HG PRO 13 -0.008 0.139 -8.003 101 HD2 PRO 13 1HD PRO 13 2.598 -0.825 -8.140 102 HD3 PRO 13 2HD PRO 13 2.088 0.542 -7.129 103 H GLY 14 H GLY 14 -0.219 -4.087 -4.709 104 HA2 GLY 14 1HA GLY 14 0.118 -6.022 -6.786 105 HA3 GLY 14 2HA GLY 14 1.384 -6.251 -5.578 106 H HIS 15 H HIS 15 -1.913 -6.773 -6.326 107 HA HIS 15 HA HIS 15 -3.291 -6.979 -3.956 108 HB2 HIS 15 1HB HIS 15 -4.600 -8.754 -4.941 109 HB3 HIS 15 2HB HIS 15 -4.142 -7.635 -6.225 110 HD1 HIS 15 HD1 HIS 15 -2.058 -8.405 -7.748 111 HD2 HIS 15 HD2 HIS 15 -3.720 -11.375 -5.339 112 HE1 HIS 15 HE1 HIS 15 -1.239 -10.619 -8.669 113 H GLN 16 H GLN 16 -3.098 -8.063 -2.090 114 HA GLN 16 HA GLN 16 -1.798 -10.676 -1.975 115 HB2 GLN 16 1HB GLN 16 -0.144 -8.441 -1.645 116 HB3 GLN 16 2HB GLN 16 -0.501 -8.924 0.010 117 HG2 GLN 16 1HG GLN 16 0.548 -10.763 -2.164 118 HG3 GLN 16 2HG GLN 16 1.514 -10.075 -0.855 119 HE21 GLN 16 2HE2 GLN 16 -0.102 -12.869 -1.693 120 HE22 GLN 16 1HE2 GLN 16 -0.451 -13.463 -0.142 121 H TYR 17 H TYR 17 -2.023 -11.658 0.135 122 HA TYR 17 HA TYR 17 -4.273 -10.476 1.714 123 HB2 TYR 17 1HB TYR 17 -4.902 -12.757 2.276 124 HB3 TYR 17 2HB TYR 17 -4.790 -12.598 0.523 125 HD1 TYR 17 HD1 TYR 17 -3.096 -13.889 3.553 126 HD2 TYR 17 HD2 TYR 17 -3.082 -13.757 -0.742 127 HE1 TYR 17 HE1 TYR 17 -1.428 -15.723 3.502 128 HE2 TYR 17 HE2 TYR 17 -1.411 -15.591 -0.791 129 HH TYR 17 HH TYR 17 0.121 -16.719 0.514 130 H ARG 18 H ARG 18 -4.147 -10.476 3.930 131 HA ARG 18 HA ARG 18 -1.421 -10.729 5.049 132 HB2 ARG 18 1HB ARG 18 -4.004 -9.603 6.160 133 HB3 ARG 18 2HB ARG 18 -2.477 -9.619 7.042 134 HG2 ARG 18 1HG ARG 18 -2.620 -8.404 4.281 135 HG3 ARG 18 2HG ARG 18 -3.137 -7.473 5.685 136 HD2 ARG 18 1HD ARG 18 -0.917 -7.901 6.741 137 HD3 ARG 18 2HD ARG 18 -0.401 -8.717 5.269 138 HE ARG 18 HE ARG 18 -1.292 -6.213 4.436 139 HH11 ARG 18 1HH2 ARG 18 1.045 -7.515 6.624 140 HH12 ARG 18 2HH2 ARG 18 2.128 -6.173 6.463 141 HH21 ARG 18 1HH1 ARG 18 0.109 -4.472 4.221 142 HH22 ARG 18 2HH1 ARG 18 1.597 -4.453 5.107 143 H ASP 19 H ASP 19 -0.824 -12.368 6.314 144 HA ASP 19 HA ASP 19 -2.568 -14.634 6.729 145 HB2 ASP 19 1HB ASP 19 -0.639 -15.543 8.015 146 HB3 ASP 19 2HB ASP 19 -0.154 -14.929 6.435 147 H ASP 20 H ASP 20 -1.774 -11.795 8.563 148 HA ASP 20 HA ASP 20 -2.391 -12.721 11.192 149 HB2 ASP 20 1HB ASP 20 -2.602 -10.006 9.887 150 HB3 ASP 20 2HB ASP 20 -2.969 -10.262 11.592 151 H ILE 21 H ILE 21 -4.474 -11.273 8.688 152 HA ILE 21 HA ILE 21 -6.871 -12.068 10.303 153 HB ILE 21 HB ILE 21 -8.065 -10.444 8.740 154 HG12 ILE 21 1HG1 ILE 21 -5.229 -9.522 8.172 155 HG13 ILE 21 2HG1 ILE 21 -6.194 -10.458 7.029 156 HG21 ILE 21 1HG2 ILE 21 -7.500 -9.838 11.040 157 HG22 ILE 21 2HG2 ILE 21 -7.221 -8.454 9.981 158 HG23 ILE 21 3HG2 ILE 21 -5.858 -9.417 10.551 159 HD11 ILE 21 3HD1 ILE 21 -7.979 -8.655 7.236 160 HD12 ILE 21 1HD1 ILE 21 -6.490 -8.145 6.442 161 HD13 ILE 21 2HD1 ILE 21 -6.792 -7.695 8.120 162 H ARG 22 H ARG 22 -4.994 -12.961 7.683 163 HA ARG 22 HA ARG 22 -5.300 -14.440 5.901 164 HB2 ARG 22 1HB ARG 22 -7.542 -15.385 7.719 165 HB3 ARG 22 2HB ARG 22 -6.955 -16.270 6.308 166 HG2 ARG 22 1HG ARG 22 -4.713 -16.406 7.276 167 HG3 ARG 22 2HG ARG 22 -5.227 -15.441 8.659 168 HD2 ARG 22 1HD ARG 22 -5.240 -17.796 9.286 169 HD3 ARG 22 2HD ARG 22 -6.900 -17.207 9.220 170 HE ARG 22 HE ARG 22 -7.278 -18.572 7.309 171 HH11 ARG 22 1HH2 ARG 22 -3.947 -18.476 8.232 172 HH12 ARG 22 2HH2 ARG 22 -3.496 -19.795 7.206 173 HH21 ARG 22 1HH1 ARG 22 -6.698 -20.289 5.981 174 HH22 ARG 22 2HH1 ARG 22 -5.051 -20.820 5.933 175 H LYS 23 H LYS 23 -6.228 -12.052 5.189 176 HA LYS 23 HA LYS 23 -8.585 -12.718 3.520 177 HB2 LYS 23 1HB LYS 23 -8.457 -10.399 5.448 178 HB3 LYS 23 2HB LYS 23 -9.559 -10.424 4.072 179 HG2 LYS 23 1HG LYS 23 -10.521 -12.550 4.888 180 HG3 LYS 23 2HG LYS 23 -9.436 -12.503 6.277 181 HD2 LYS 23 1HD LYS 23 -10.430 -10.357 6.982 182 HD3 LYS 23 2HD LYS 23 -11.524 -10.414 5.598 183 HE2 LYS 23 1HE LYS 23 -12.465 -12.544 6.440 184 HE3 LYS 23 2HE LYS 23 -11.391 -12.456 7.836 185 HZ1 LYS 23 3HZ LYS 23 -13.214 -11.455 8.703 186 HZ2 LYS 23 1HZ LYS 23 -13.760 -10.869 7.208 187 HZ3 LYS 23 2HZ LYS 23 -12.487 -10.083 8.013 188 H TYR 24 H TYR 24 -8.901 -11.129 1.768 189 HA TYR 24 HA TYR 24 -6.302 -10.210 0.730 190 HB2 TYR 24 1HB TYR 24 -9.070 -10.318 -0.473 191 HB3 TYR 24 2HB TYR 24 -7.654 -9.708 -1.329 192 HD1 TYR 24 HD2 TYR 24 -9.270 -12.695 0.113 193 HD2 TYR 24 HD1 TYR 24 -5.861 -11.194 -2.025 194 HE1 TYR 24 HE2 TYR 24 -8.618 -15.014 -0.479 195 HE2 TYR 24 HE1 TYR 24 -5.209 -13.510 -2.617 196 HH TYR 24 HH TYR 24 -5.888 -16.014 -1.254 197 H VAL 25 H VAL 25 -5.640 -8.134 0.814 198 HA VAL 25 HA VAL 25 -7.663 -5.983 0.984 199 HB VAL 25 HB VAL 25 -6.705 -4.970 2.950 200 HG11 VAL 25 1HG1 VAL 25 -6.936 -7.937 3.496 201 HG12 VAL 25 2HG1 VAL 25 -8.321 -6.876 3.233 202 HG13 VAL 25 3HG1 VAL 25 -7.262 -6.615 4.618 203 HG21 VAL 25 3HG2 VAL 25 -4.618 -7.142 2.653 204 HG22 VAL 25 1HG2 VAL 25 -4.850 -6.270 4.169 205 HG23 VAL 25 2HG2 VAL 25 -4.371 -5.397 2.714 206 HA PRO 26 HA PRO 26 -5.015 -3.805 -1.862 207 HB2 PRO 26 1HB PRO 26 -5.100 -1.562 0.138 208 HB3 PRO 26 2HB PRO 26 -5.406 -1.522 -1.610 209 HG2 PRO 26 1HG PRO 26 -7.396 -1.480 0.217 210 HG3 PRO 26 2HG PRO 26 -7.576 -2.220 -1.384 211 HD2 PRO 26 1HD PRO 26 -7.417 -3.541 1.255 212 HD3 PRO 26 2HD PRO 26 -8.015 -4.173 -0.290 213 H TYR 27 H TYR 27 -2.936 -4.647 -1.812 214 HA TYR 27 HA TYR 27 -1.193 -3.948 0.530 215 HB2 TYR 27 1HB TYR 27 -1.578 -6.374 0.119 216 HB3 TYR 27 2HB TYR 27 -0.846 -6.190 -1.475 217 HD1 TYR 27 HD2 TYR 27 -0.217 -5.804 2.173 218 HD2 TYR 27 HD1 TYR 27 1.522 -6.118 -1.742 219 HE1 TYR 27 HE2 TYR 27 2.034 -6.020 3.189 220 HE2 TYR 27 HE1 TYR 27 3.773 -6.332 -0.723 221 HH TYR 27 HH TYR 27 4.689 -5.435 1.915 222 H ALA 28 H ALA 28 0.270 -2.425 0.131 223 HA ALA 28 HA ALA 28 1.569 -2.321 -2.555 224 HB1 ALA 28 3HB ALA 28 0.642 -0.302 -3.065 225 HB2 ALA 28 1HB ALA 28 1.269 0.381 -1.562 226 HB3 ALA 28 2HB ALA 28 -0.311 -0.392 -1.586 227 H LEU 29 H LEU 29 3.719 -1.663 -2.481 228 HA LEU 29 HA LEU 29 4.928 -1.615 0.245 229 HB2 LEU 29 1HB LEU 29 6.194 -2.057 -2.471 230 HB3 LEU 29 2HB LEU 29 7.009 -2.200 -0.917 231 HG LEU 29 HG LEU 29 4.611 -3.855 -1.749 232 HD11 LEU 29 1HD1 LEU 29 6.739 -4.293 -3.052 233 HD12 LEU 29 2HD1 LEU 29 6.140 -5.673 -2.132 234 HD13 LEU 29 3HD1 LEU 29 7.502 -4.731 -1.524 235 HD21 LEU 29 3HD2 LEU 29 4.599 -3.855 0.594 236 HD22 LEU 29 1HD2 LEU 29 6.354 -3.720 0.711 237 HD23 LEU 29 2HD2 LEU 29 5.612 -5.251 0.251 238 H ILE 30 H ILE 30 5.821 0.211 1.001 239 HA ILE 30 HA ILE 30 6.112 2.538 -0.861 240 HB ILE 30 HB ILE 30 5.741 2.468 2.145 241 HG12 ILE 30 1HG1 ILE 30 3.867 3.443 -0.030 242 HG13 ILE 30 2HG1 ILE 30 3.754 1.843 0.703 243 HG21 ILE 30 1HG2 ILE 30 7.058 4.396 1.538 244 HG22 ILE 30 2HG2 ILE 30 5.403 4.952 1.791 245 HG23 ILE 30 3HG2 ILE 30 6.019 4.730 0.153 246 HD11 ILE 30 3HD1 ILE 30 3.696 4.410 2.308 247 HD12 ILE 30 1HD1 ILE 30 3.322 2.783 2.876 248 HD13 ILE 30 2HD1 ILE 30 2.243 3.590 1.739 249 H ARG 31 H ARG 31 8.126 3.157 -1.311 250 HA ARG 31 HA ARG 31 10.317 2.618 0.664 251 HB2 ARG 31 1HB ARG 31 10.327 2.183 -2.332 252 HB3 ARG 31 2HB ARG 31 11.800 2.265 -1.372 253 HG2 ARG 31 1HG ARG 31 11.482 -0.025 -1.262 254 HG3 ARG 31 2HG ARG 31 10.449 0.419 0.093 255 HD2 ARG 31 1HD ARG 31 8.497 0.460 -1.426 256 HD3 ARG 31 2HD ARG 31 9.538 -0.017 -2.763 257 HE ARG 31 HE ARG 31 8.684 -1.739 -0.524 258 HH11 ARG 31 1HH2 ARG 31 10.729 -1.215 -3.260 259 HH12 ARG 31 2HH2 ARG 31 11.052 -2.898 -3.495 260 HH21 ARG 31 1HH1 ARG 31 9.094 -3.918 -0.826 261 HH22 ARG 31 2HH1 ARG 31 10.127 -4.429 -2.117 262 H LYS 32 H LYS 32 11.755 4.256 0.921 263 HA LYS 32 HA LYS 32 11.044 6.852 -0.271 264 HB2 LYS 32 1HB LYS 32 11.553 6.682 2.142 265 HB3 LYS 32 2HB LYS 32 13.188 6.144 1.752 266 HG2 LYS 32 1HG LYS 32 13.638 8.256 0.601 267 HG3 LYS 32 2HG LYS 32 11.981 8.787 0.883 268 HD2 LYS 32 1HD LYS 32 12.373 8.682 3.325 269 HD3 LYS 32 2HD LYS 32 14.041 8.188 3.026 270 HE2 LYS 32 1HE LYS 32 12.829 10.767 1.990 271 HE3 LYS 32 2HE LYS 32 13.790 10.651 3.466 272 HZ1 LYS 32 3HZ LYS 32 15.692 10.192 2.304 273 HZ2 LYS 32 1HZ LYS 32 14.915 11.236 1.215 274 HZ3 LYS 32 2HZ LYS 32 14.867 9.556 0.961 275 H VAL 33 H VAL 33 12.239 7.911 -1.775 276 HA VAL 33 HA VAL 33 14.094 6.441 -3.393 277 HB VAL 33 HB VAL 33 13.468 9.400 -3.272 278 HG11 VAL 33 1HG1 VAL 33 14.426 9.327 -5.638 279 HG12 VAL 33 2HG1 VAL 33 15.105 7.755 -5.215 280 HG13 VAL 33 3HG1 VAL 33 15.604 9.198 -4.332 281 HG21 VAL 33 3HG2 VAL 33 11.625 7.758 -3.874 282 HG22 VAL 33 1HG2 VAL 33 12.598 7.296 -5.272 283 HG23 VAL 33 2HG2 VAL 33 11.996 8.947 -5.122 284 H GLY 34 H GLY 34 16.255 6.278 -3.288 285 HA2 GLY 34 1HA GLY 34 18.478 7.158 -2.870 286 HA3 GLY 34 2HA GLY 34 17.813 8.176 -1.591 287 H VAL 35 H VAL 35 16.161 5.699 -0.760 288 HA VAL 35 HA VAL 35 18.253 3.903 0.276 289 HB VAL 35 HB VAL 35 17.517 4.254 2.647 290 HG11 VAL 35 1HG1 VAL 35 18.904 6.154 3.005 291 HG12 VAL 35 2HG1 VAL 35 18.498 6.846 1.436 292 HG13 VAL 35 3HG1 VAL 35 19.520 5.410 1.531 293 HG21 VAL 35 3HG2 VAL 35 15.976 6.516 1.340 294 HG22 VAL 35 1HG2 VAL 35 16.372 6.508 3.057 295 HG23 VAL 35 2HG2 VAL 35 15.347 5.242 2.384 296 HA PRO 36 HA PRO 36 13.890 2.150 -0.334 297 HB2 PRO 36 1HB PRO 36 14.316 0.745 -2.634 298 HB3 PRO 36 2HB PRO 36 13.827 2.452 -2.648 299 HG2 PRO 36 1HG PRO 36 16.549 1.264 -2.995 300 HG3 PRO 36 2HG PRO 36 15.779 2.583 -3.893 301 HD2 PRO 36 1HD PRO 36 17.592 3.024 -1.884 302 HD3 PRO 36 2HD PRO 36 16.278 4.159 -2.265 303 H ASP 37 H ASP 37 17.125 1.108 -0.142 304 HA ASP 37 HA ASP 37 16.665 -1.758 -0.023 305 HB2 ASP 37 1HB ASP 37 18.867 -0.601 -0.574 306 HB3 ASP 37 2HB ASP 37 18.993 -0.211 1.141 307 H ARG 38 H ARG 38 15.848 0.736 2.030 308 HA ARG 38 HA ARG 38 16.404 -0.608 4.568 309 HB2 ARG 38 1HB ARG 38 14.684 1.790 3.905 310 HB3 ARG 38 2HB ARG 38 15.088 1.265 5.538 311 HG2 ARG 38 1HG ARG 38 17.249 1.845 3.510 312 HG3 ARG 38 2HG ARG 38 16.533 3.139 4.468 313 HD2 ARG 38 1HD ARG 38 17.114 1.841 6.542 314 HD3 ARG 38 2HD ARG 38 17.967 0.684 5.527 315 HE ARG 38 HE ARG 38 18.941 3.291 4.944 316 HH11 ARG 38 1HH2 ARG 38 18.868 0.887 7.424 317 HH12 ARG 38 2HH2 ARG 38 20.389 1.360 8.103 318 HH21 ARG 38 1HH1 ARG 38 20.915 3.913 5.821 319 HH22 ARG 38 2HH1 ARG 38 21.546 3.072 7.196 320 H THR 39 H THR 39 14.968 -1.665 5.874 321 HA THR 39 HA THR 39 13.108 -3.418 5.005 322 HB THR 39 HB THR 39 12.621 -1.780 7.493 323 HG1 THR 39 HG1 THR 39 14.597 -3.561 6.748 324 HG21 THR 39 3HG2 THR 39 10.817 -3.326 6.884 325 HG22 THR 39 1HG2 THR 39 11.690 -3.953 8.282 326 HG23 THR 39 2HG2 THR 39 11.983 -4.633 6.682 327 HA PRO 40 HA PRO 40 10.312 -0.413 2.912 328 HB2 PRO 40 1HB PRO 40 9.096 -3.041 2.123 329 HB3 PRO 40 2HB PRO 40 9.476 -1.627 1.116 330 HG2 PRO 40 1HG PRO 40 11.009 -3.779 1.031 331 HG3 PRO 40 2HG PRO 40 11.727 -2.158 0.998 332 HD2 PRO 40 1HD PRO 40 11.589 -4.106 3.277 333 HD3 PRO 40 2HD PRO 40 12.900 -3.003 2.808 334 H ILE 41 H ILE 41 8.235 0.296 3.417 335 HA ILE 41 HA ILE 41 6.882 -1.148 5.648 336 HB ILE 41 HB ILE 41 6.581 1.752 4.877 337 HG12 ILE 41 1HG1 ILE 41 8.877 1.370 5.560 338 HG13 ILE 41 2HG1 ILE 41 8.031 2.138 6.901 339 HG21 ILE 41 1HG2 ILE 41 5.584 1.925 7.126 340 HG22 ILE 41 2HG2 ILE 41 5.849 0.201 7.383 341 HG23 ILE 41 3HG2 ILE 41 4.704 0.742 6.157 342 HD11 ILE 41 3HD1 ILE 41 9.195 0.389 7.964 343 HD12 ILE 41 1HD1 ILE 41 8.935 -0.729 6.626 344 HD13 ILE 41 2HD1 ILE 41 7.605 -0.325 7.711 345 HA PRO 42 HA PRO 42 3.876 -1.809 2.318 346 HB2 PRO 42 1HB PRO 42 2.404 -3.737 3.577 347 HB3 PRO 42 2HB PRO 42 3.970 -4.067 2.817 348 HG2 PRO 42 1HG PRO 42 3.312 -3.682 5.694 349 HG3 PRO 42 2HG PRO 42 4.462 -4.800 4.938 350 HD2 PRO 42 1HD PRO 42 5.178 -2.421 6.140 351 HD3 PRO 42 2HD PRO 42 6.149 -3.225 4.887 352 H THR 43 H THR 43 1.595 -1.411 2.039 353 HA THR 43 HA THR 43 0.316 0.066 4.314 354 HB THR 43 HB THR 43 0.874 1.731 2.726 355 HG1 THR 43 HG1 THR 43 -1.751 0.780 2.619 356 HG21 THR 43 3HG2 THR 43 -0.014 1.338 0.279 357 HG22 THR 43 1HG2 THR 43 0.100 -0.366 0.714 358 HG23 THR 43 2HG2 THR 43 1.537 0.657 0.764 359 H THR 44 H THR 44 -1.701 -0.501 4.818 360 HA THR 44 HA THR 44 -3.207 -2.335 2.997 361 HB THR 44 HB THR 44 -3.876 -3.682 4.892 362 HG1 THR 44 HG1 THR 44 -4.000 -2.290 6.551 363 HG21 THR 44 3HG2 THR 44 -1.653 -4.524 5.643 364 HG22 THR 44 1HG2 THR 44 -0.901 -3.122 4.888 365 HG23 THR 44 2HG2 THR 44 -1.751 -4.306 3.897 366 H TYR 45 H TYR 45 -5.562 -2.399 3.624 367 HA TYR 45 HA TYR 45 -6.452 0.137 4.897 368 HB2 TYR 45 1HB TYR 45 -6.434 -0.138 2.185 369 HB3 TYR 45 2HB TYR 45 -8.034 -0.780 2.543 370 HD1 TYR 45 HD1 TYR 45 -5.857 2.052 3.708 371 HD2 TYR 45 HD2 TYR 45 -9.771 0.793 2.485 372 HE1 TYR 45 HE1 TYR 45 -6.688 4.369 3.992 373 HE2 TYR 45 HE2 TYR 45 -10.604 3.109 2.766 374 HH TYR 45 HH TYR 45 -9.104 5.614 2.694 375 HA PRO 46 HA PRO 46 -9.023 -2.645 7.328 376 HB2 PRO 46 1HB PRO 46 -11.019 -0.420 7.011 377 HB3 PRO 46 2HB PRO 46 -10.505 -1.266 8.484 378 HG2 PRO 46 1HG PRO 46 -9.631 1.200 7.869 379 HG3 PRO 46 2HG PRO 46 -8.620 0.022 8.726 380 HD2 PRO 46 1HD PRO 46 -8.385 0.996 5.932 381 HD3 PRO 46 2HD PRO 46 -7.157 0.263 6.987 382 H GLU 47 H GLU 47 -9.723 -1.432 4.218 383 HA GLU 47 HA GLU 47 -12.277 -2.830 3.873 384 HB2 GLU 47 1HB GLU 47 -10.444 -1.374 1.956 385 HB3 GLU 47 2HB GLU 47 -11.979 -2.100 1.477 386 HG2 GLU 47 1HG GLU 47 -13.177 -0.687 3.078 387 HG3 GLU 47 2HG GLU 47 -11.654 0.004 3.638 388 H PHE 48 H PHE 48 -12.546 -4.498 2.206 389 HA PHE 48 HA PHE 48 -10.076 -6.109 1.683 390 HB2 PHE 48 1HB PHE 48 -12.711 -7.447 2.259 391 HB3 PHE 48 2HB PHE 48 -11.078 -8.095 2.412 392 HD1 PHE 48 HD2 PHE 48 -13.417 -5.563 3.859 393 HD2 PHE 48 HD1 PHE 48 -9.939 -8.007 4.481 394 HE1 PHE 48 HE2 PHE 48 -13.396 -4.926 6.256 395 HE2 PHE 48 HE1 PHE 48 -9.918 -7.368 6.875 396 HZ PHE 48 HZ PHE 48 -11.647 -5.830 7.764 397 H TYR 49 H TYR 49 -10.106 -7.256 -0.271 398 HA TYR 49 HA TYR 49 -12.477 -7.059 -2.017 399 HB2 TYR 49 1HB TYR 49 -9.808 -5.785 -2.676 400 HB3 TYR 49 2HB TYR 49 -11.060 -6.104 -3.877 401 HD1 TYR 49 HD1 TYR 49 -13.500 -5.287 -3.152 402 HD2 TYR 49 HD2 TYR 49 -9.817 -3.678 -1.645 403 HE1 TYR 49 HE1 TYR 49 -14.673 -3.200 -2.513 404 HE2 TYR 49 HE2 TYR 49 -10.988 -1.590 -1.003 405 HH TYR 49 HH TYR 49 -13.262 -0.847 -0.485 406 H ASP 50 H ASP 50 -12.697 -9.052 -2.810 407 HA ASP 50 HA ASP 50 -10.539 -10.997 -2.789 408 HB2 ASP 50 1HB ASP 50 -13.342 -11.031 -3.941 409 HB3 ASP 50 2HB ASP 50 -12.257 -12.421 -3.997 410 H LEU 51 H LEU 51 -11.530 -8.554 -4.946 411 HA LEU 51 HA LEU 51 -10.421 -9.920 -7.337 412 HB2 LEU 51 1HB LEU 51 -11.634 -7.153 -7.070 413 HB3 LEU 51 2HB LEU 51 -11.263 -7.990 -8.578 414 HG LEU 51 HG LEU 51 -13.236 -8.956 -6.483 415 HD11 LEU 51 1HD1 LEU 51 -13.669 -7.715 -9.219 416 HD12 LEU 51 2HD1 LEU 51 -14.060 -6.972 -7.668 417 HD13 LEU 51 3HD1 LEU 51 -14.938 -8.405 -8.207 418 HD21 LEU 51 3HD2 LEU 51 -12.476 -10.906 -7.564 419 HD22 LEU 51 1HD2 LEU 51 -12.239 -10.077 -9.104 420 HD23 LEU 51 2HD2 LEU 51 -13.868 -10.457 -8.544 421 H GLU 52 H GLU 52 -8.409 -9.595 -8.004 422 HA GLU 52 HA GLU 52 -6.521 -8.022 -6.520 423 HB2 GLU 52 1HB GLU 52 -4.913 -8.764 -8.147 424 HB3 GLU 52 2HB GLU 52 -6.020 -10.104 -7.861 425 HG2 GLU 52 1HG GLU 52 -6.106 -8.178 -10.210 426 HG3 GLU 52 2HG GLU 52 -5.635 -9.872 -10.259 427 H ALA 53 H ALA 53 -8.300 -7.479 -9.516 428 HA ALA 53 HA ALA 53 -6.892 -5.197 -10.451 429 HB1 ALA 53 3HB ALA 53 -8.967 -4.658 -11.673 430 HB2 ALA 53 1HB ALA 53 -9.854 -5.799 -10.665 431 HB3 ALA 53 2HB ALA 53 -8.616 -6.385 -11.774 432 H ASP 54 H ASP 54 -9.645 -5.445 -8.224 433 HA ASP 54 HA ASP 54 -9.961 -2.618 -7.820 434 HB2 ASP 54 1HB ASP 54 -11.635 -4.420 -7.218 435 HB3 ASP 54 2HB ASP 54 -10.602 -4.818 -5.845 436 H ALA 55 H ALA 55 -8.052 -5.100 -6.182 437 HA ALA 55 HA ALA 55 -7.121 -3.488 -4.008 438 HB1 ALA 55 3HB ALA 55 -6.874 -5.916 -3.982 439 HB2 ALA 55 1HB ALA 55 -5.276 -5.174 -3.884 440 HB3 ALA 55 2HB ALA 55 -5.844 -5.848 -5.412 441 H GLU 56 H GLU 56 -5.931 -3.980 -7.297 442 HA GLU 56 HA GLU 56 -3.437 -2.594 -7.009 443 HB2 GLU 56 1HB GLU 56 -5.252 -3.067 -9.380 444 HB3 GLU 56 2HB GLU 56 -3.673 -2.300 -9.525 445 HG2 GLU 56 1HG GLU 56 -4.069 -5.003 -8.225 446 HG3 GLU 56 2HG GLU 56 -3.717 -4.815 -9.942 447 H ARG 57 H ARG 57 -6.600 -1.487 -8.227 448 HA ARG 57 HA ARG 57 -5.801 1.256 -8.567 449 HB2 ARG 57 1HB ARG 57 -7.791 0.219 -9.657 450 HB3 ARG 57 2HB ARG 57 -8.569 0.126 -8.078 451 HG2 ARG 57 1HG ARG 57 -8.436 2.577 -7.855 452 HG3 ARG 57 2HG ARG 57 -7.643 2.680 -9.426 453 HD2 ARG 57 1HD ARG 57 -9.658 1.572 -10.440 454 HD3 ARG 57 2HD ARG 57 -10.453 1.690 -8.870 455 HE ARG 57 HE ARG 57 -9.905 3.920 -10.708 456 HH11 ARG 57 1HH2 ARG 57 -10.741 2.855 -7.527 457 HH12 ARG 57 2HH2 ARG 57 -11.455 4.367 -7.075 458 HH21 ARG 57 1HH1 ARG 57 -10.832 5.879 -10.129 459 HH22 ARG 57 2HH1 ARG 57 -11.507 6.077 -8.546 460 H VAL 58 H VAL 58 -7.481 -0.459 -5.953 461 HA VAL 58 HA VAL 58 -7.861 1.851 -4.283 462 HB VAL 58 HB VAL 58 -7.733 -1.099 -3.615 463 HG11 VAL 58 1HG1 VAL 58 -8.498 1.308 -1.948 464 HG12 VAL 58 2HG1 VAL 58 -7.291 0.079 -1.575 465 HG13 VAL 58 3HG1 VAL 58 -9.006 -0.332 -1.542 466 HG21 VAL 58 3HG2 VAL 58 -9.564 -0.137 -5.173 467 HG22 VAL 58 1HG2 VAL 58 -10.171 0.682 -3.733 468 HG23 VAL 58 2HG2 VAL 58 -10.097 -1.080 -3.780 469 H SER 59 H SER 59 -5.328 -0.645 -4.385 470 HA SER 59 HA SER 59 -3.890 0.206 -2.090 471 HB2 SER 59 1HB SER 59 -1.955 -0.957 -3.120 472 HB3 SER 59 2HB SER 59 -3.422 -1.925 -3.208 473 HG SER 59 HG SER 59 -2.718 -1.985 -5.239 474 H ILE 60 H ILE 60 -3.650 1.290 -5.472 475 HA ILE 60 HA ILE 60 -1.411 3.045 -5.042 476 HB ILE 60 HB ILE 60 -3.636 3.103 -7.103 477 HG12 ILE 60 1HG1 ILE 60 -0.734 2.297 -7.412 478 HG13 ILE 60 2HG1 ILE 60 -2.000 1.139 -7.006 479 HG21 ILE 60 1HG2 ILE 60 -1.926 4.536 -8.368 480 HG22 ILE 60 2HG2 ILE 60 -1.114 4.751 -6.818 481 HG23 ILE 60 3HG2 ILE 60 -2.767 5.326 -7.034 482 HD11 ILE 60 3HD1 ILE 60 -3.157 1.546 -9.065 483 HD12 ILE 60 1HD1 ILE 60 -1.456 1.345 -9.487 484 HD13 ILE 60 2HD1 ILE 60 -2.163 2.959 -9.420 485 H ALA 61 H ALA 61 -4.926 3.580 -4.987 486 HA ALA 61 HA ALA 61 -4.783 6.395 -4.410 487 HB1 ALA 61 3HB ALA 61 -7.143 6.227 -3.934 488 HB2 ALA 61 1HB ALA 61 -7.009 4.493 -3.645 489 HB3 ALA 61 2HB ALA 61 -6.806 5.130 -5.277 490 H CYS 62 H CYS 62 -5.201 3.534 -2.340 491 HA CYS 62 HA CYS 62 -5.353 4.994 0.133 492 HB2 CYS 62 1HB CYS 62 -4.522 2.141 -0.443 493 HB3 CYS 62 2HB CYS 62 -4.839 2.779 1.169 494 HG CYS 62 HG CYS 62 -6.953 1.816 -0.704 495 H ALA 63 H ALA 63 -2.664 3.331 -1.497 496 HA ALA 63 HA ALA 63 -0.629 3.681 0.371 497 HB1 ALA 63 3HB ALA 63 -0.281 2.517 -1.761 498 HB2 ALA 63 1HB ALA 63 0.927 3.788 -1.572 499 HB3 ALA 63 2HB ALA 63 -0.457 4.038 -2.633 500 H LYS 64 H LYS 64 -1.725 6.054 -2.058 501 HA LYS 64 HA LYS 64 0.120 8.120 -1.324 502 HB2 LYS 64 1HB LYS 64 -2.655 8.276 -2.522 503 HB3 LYS 64 2HB LYS 64 -1.551 9.645 -2.407 504 HG2 LYS 64 1HG LYS 64 0.101 8.442 -3.779 505 HG3 LYS 64 2HG LYS 64 -0.982 7.050 -3.872 506 HD2 LYS 64 1HD LYS 64 -2.692 8.481 -4.971 507 HD3 LYS 64 2HD LYS 64 -1.560 9.832 -4.934 508 HE2 LYS 64 1HE LYS 64 -1.000 7.182 -6.295 509 HE3 LYS 64 2HE LYS 64 -1.581 8.623 -7.130 510 HZ1 LYS 64 3HZ LYS 64 0.450 9.477 -7.141 511 HZ2 LYS 64 1HZ LYS 64 1.032 7.983 -6.587 512 HZ3 LYS 64 2HZ LYS 64 0.657 9.211 -5.475 513 H ILE 65 H ILE 65 -3.158 7.350 -0.211 514 HA ILE 65 HA ILE 65 -3.462 9.604 1.536 515 HB ILE 65 HB ILE 65 -4.694 6.838 1.580 516 HG12 ILE 65 1HG1 ILE 65 -5.871 9.513 0.779 517 HG13 ILE 65 2HG1 ILE 65 -5.148 8.387 -0.369 518 HG21 ILE 65 1HG2 ILE 65 -5.216 9.277 3.287 519 HG22 ILE 65 2HG2 ILE 65 -4.917 7.620 3.813 520 HG23 ILE 65 3HG2 ILE 65 -6.443 8.036 3.034 521 HD11 ILE 65 3HD1 ILE 65 -6.827 6.769 -0.027 522 HD12 ILE 65 1HD1 ILE 65 -7.720 8.286 -0.010 523 HD13 ILE 65 2HD1 ILE 65 -7.330 7.477 1.506 524 H ILE 66 H ILE 66 -2.270 6.314 2.096 525 HA ILE 66 HA ILE 66 -1.823 6.601 4.906 526 HB ILE 66 HB ILE 66 -0.781 4.775 2.756 527 HG12 ILE 66 1HG1 ILE 66 -1.743 3.068 4.436 528 HG13 ILE 66 2HG1 ILE 66 -2.458 4.452 5.257 529 HG21 ILE 66 1HG2 ILE 66 0.413 3.522 4.677 530 HG22 ILE 66 2HG2 ILE 66 0.338 5.057 5.543 531 HG23 ILE 66 3HG2 ILE 66 1.206 4.949 4.013 532 HD11 ILE 66 3HD1 ILE 66 -4.072 3.526 3.691 533 HD12 ILE 66 1HD1 ILE 66 -2.904 3.618 2.378 534 HD13 ILE 66 2HD1 ILE 66 -3.549 5.095 3.092 535 H ILE 67 H ILE 67 0.277 7.130 2.100 536 HA ILE 67 HA ILE 67 2.623 7.835 3.569 537 HB ILE 67 HB ILE 67 1.642 8.607 0.813 538 HG12 ILE 67 1HG1 ILE 67 3.881 6.726 1.583 539 HG13 ILE 67 2HG1 ILE 67 2.212 6.174 1.423 540 HG21 ILE 67 1HG2 ILE 67 4.263 9.182 2.206 541 HG22 ILE 67 2HG2 ILE 67 3.188 10.320 1.394 542 HG23 ILE 67 3HG2 ILE 67 4.116 9.157 0.449 543 HD11 ILE 67 3HD1 ILE 67 3.614 5.897 -0.662 544 HD12 ILE 67 1HD1 ILE 67 3.696 7.656 -0.766 545 HD13 ILE 67 2HD1 ILE 67 2.138 6.836 -0.893 546 H ASP 68 H ASP 68 -0.037 9.789 2.272 547 HA ASP 68 HA ASP 68 0.985 12.332 3.126 548 HB2 ASP 68 1HB ASP 68 -0.819 12.088 1.451 549 HB3 ASP 68 2HB ASP 68 -1.879 11.434 2.696 550 H SER 69 H SER 69 -1.206 9.985 4.624 551 HA SER 69 HA SER 69 -1.705 11.548 7.001 552 HB2 SER 69 1HB SER 69 -3.193 9.710 6.265 553 HB3 SER 69 2HB SER 69 -1.902 8.555 6.573 554 HG SER 69 HG SER 69 -3.119 8.588 8.399 555 H HIS 70 H HIS 70 0.714 9.156 6.090 556 HA HIS 70 HA HIS 70 1.794 8.617 8.658 557 HB2 HIS 70 1HB HIS 70 3.023 7.264 7.276 558 HB3 HIS 70 2HB HIS 70 2.576 8.232 5.879 559 HD1 HIS 70 HD1 HIS 70 4.580 9.139 4.722 560 HD2 HIS 70 HD2 HIS 70 5.151 8.984 8.839 561 HE1 HIS 70 HE1 HIS 70 6.891 10.068 5.171 562 H LEU 71 H LEU 71 2.638 11.145 6.305 563 HA LEU 71 HA LEU 71 4.645 12.382 7.924 564 HB2 LEU 71 1HB LEU 71 2.893 13.474 5.708 565 HB3 LEU 71 2HB LEU 71 4.217 14.386 6.429 566 HG LEU 71 HG LEU 71 4.590 11.634 5.212 567 HD11 LEU 71 1HD1 LEU 71 4.777 14.375 3.934 568 HD12 LEU 71 2HD1 LEU 71 3.833 12.988 3.390 569 HD13 LEU 71 3HD1 LEU 71 5.592 12.960 3.268 570 HD21 LEU 71 3HD2 LEU 71 6.439 13.847 6.135 571 HD22 LEU 71 1HD2 LEU 71 6.983 12.616 4.998 572 HD23 LEU 71 2HD2 LEU 71 6.449 12.149 6.611 573 H ASP 72 H ASP 72 1.188 12.898 7.592 574 HA ASP 72 HA ASP 72 1.164 15.081 9.544 575 HB2 ASP 72 1HB ASP 72 -0.464 15.025 7.687 576 HB3 ASP 72 2HB ASP 72 -1.090 13.492 8.290 577 H ARG 73 H ARG 73 -0.918 12.214 9.570 578 HA ARG 73 HA ARG 73 -0.801 12.110 12.486 579 HB2 ARG 73 1HB ARG 73 -2.179 10.359 10.440 580 HB3 ARG 73 2HB ARG 73 -2.339 10.142 12.183 581 HG2 ARG 73 1HG ARG 73 -3.222 12.433 12.395 582 HG3 ARG 73 2HG ARG 73 -3.051 12.667 10.656 583 HD2 ARG 73 1HD ARG 73 -4.629 10.806 10.253 584 HD3 ARG 73 2HD ARG 73 -4.802 10.583 11.992 585 HE ARG 73 HE ARG 73 -6.128 12.559 12.088 586 HH11 ARG 73 1HH2 ARG 73 -4.666 12.078 8.996 587 HH12 ARG 73 2HH2 ARG 73 -5.650 13.261 8.205 588 HH21 ARG 73 1HH1 ARG 73 -7.417 14.096 11.064 589 HH22 ARG 73 2HH1 ARG 73 -7.205 14.402 9.373 590 H HIS 74 H HIS 74 0.048 10.455 13.741 591 HA HIS 74 HA HIS 74 1.604 8.849 14.373 592 HB2 HIS 74 1HB HIS 74 0.903 7.722 11.642 593 HB3 HIS 74 2HB HIS 74 1.814 6.863 12.884 594 HD1 HIS 74 HD1 HIS 74 -0.786 5.584 12.111 595 HD2 HIS 74 HD2 HIS 74 -0.586 8.506 15.080 596 HE1 HIS 74 HE1 HIS 74 -2.841 5.281 13.557 597 H ASP 75 H ASP 75 3.717 9.215 14.549 598 HA ASP 75 HA ASP 75 5.223 10.365 12.271 599 HB2 ASP 75 1HB ASP 75 5.338 11.356 14.600 600 HB3 ASP 75 2HB ASP 75 6.151 9.880 15.115 601 H GLN 76 H GLN 76 4.771 7.379 13.917 602 HA GLN 76 HA GLN 76 7.358 6.228 13.174 603 HB2 GLN 76 1HB GLN 76 4.817 4.939 14.211 604 HB3 GLN 76 2HB GLN 76 6.362 4.111 14.031 605 HG2 GLN 76 1HG GLN 76 5.892 6.553 15.770 606 HG3 GLN 76 2HG GLN 76 5.984 4.896 16.364 607 HE21 GLN 76 2HE2 GLN 76 7.846 7.592 16.193 608 HE22 GLN 76 1HE2 GLN 76 9.382 6.890 16.023 609 H GLY 77 H GLY 77 4.565 6.959 11.502 610 HA2 GLY 77 1HA GLY 77 3.826 4.901 9.847 611 HA3 GLY 77 2HA GLY 77 4.061 6.536 9.231 612 H LEU 78 H LEU 78 6.181 7.085 8.385 613 HA LEU 78 HA LEU 78 7.665 4.700 7.337 614 HB2 LEU 78 1HB LEU 78 7.627 7.515 6.225 615 HB3 LEU 78 2HB LEU 78 8.268 6.069 5.443 616 HG LEU 78 HG LEU 78 5.363 6.559 6.164 617 HD11 LEU 78 1HD1 LEU 78 6.531 6.231 3.401 618 HD12 LEU 78 2HD1 LEU 78 6.423 7.810 4.170 619 HD13 LEU 78 3HD1 LEU 78 4.958 6.885 3.856 620 HD21 LEU 78 3HD2 LEU 78 5.619 4.234 6.333 621 HD22 LEU 78 1HD2 LEU 78 6.835 4.175 5.059 622 HD23 LEU 78 2HD2 LEU 78 5.142 4.441 4.650 623 H ALA 79 H ALA 79 8.070 5.921 9.964 624 HA ALA 79 HA ALA 79 10.311 7.684 10.025 625 HB1 ALA 79 3HB ALA 79 9.266 5.603 11.948 626 HB2 ALA 79 1HB ALA 79 9.124 7.356 12.067 627 HB3 ALA 79 2HB ALA 79 10.686 6.578 12.324 628 H ASP 80 H ASP 80 10.073 4.174 9.729 629 HA ASP 80 HA ASP 80 12.852 3.572 10.105 630 HB2 ASP 80 1HB ASP 80 10.538 2.192 8.770 631 HB3 ASP 80 2HB ASP 80 12.161 1.547 8.549 632 H LEU 81 H LEU 81 10.973 4.514 7.259 633 HA LEU 81 HA LEU 81 13.338 4.260 5.511 634 HB2 LEU 81 1HB LEU 81 10.577 5.385 4.939 635 HB3 LEU 81 2HB LEU 81 11.808 5.002 3.737 636 HG LEU 81 HG LEU 81 10.552 2.992 5.631 637 HD11 LEU 81 1HD1 LEU 81 8.862 3.592 4.070 638 HD12 LEU 81 2HD1 LEU 81 9.581 2.122 3.415 639 HD13 LEU 81 3HD1 LEU 81 10.014 3.694 2.740 640 HD21 LEU 81 3HD2 LEU 81 12.656 2.829 3.476 641 HD22 LEU 81 1HD2 LEU 81 11.643 1.427 3.821 642 HD23 LEU 81 2HD2 LEU 81 12.663 2.106 5.086 643 H GLY 82 H GLY 82 12.184 6.481 7.709 644 HA2 GLY 82 1HA GLY 82 14.131 8.426 7.311 645 HA3 GLY 82 2HA GLY 82 12.778 8.947 6.306 Start of MODEL 9 1 H1 MET 1 1H MET 1 2.626 -1.992 -12.717 2 H2 MET 1 2H MET 1 2.749 -3.302 -11.643 3 H3 MET 1 3H MET 1 2.228 -3.554 -13.242 4 HA MET 1 HA MET 1 4.711 -4.013 -12.481 5 HB2 MET 1 1HB MET 1 3.646 -4.395 -14.739 6 HB3 MET 1 2HB MET 1 3.993 -2.710 -15.125 7 HG2 MET 1 1HG MET 1 5.781 -4.070 -16.032 8 HG3 MET 1 2HG MET 1 6.422 -3.170 -14.658 9 HE1 MET 1 3HE MET 1 6.192 -6.371 -16.390 10 HE2 MET 1 1HE MET 1 4.599 -6.504 -15.633 11 HE3 MET 1 2HE MET 1 5.880 -7.635 -15.204 12 H ASN 2 H ASN 2 3.721 -0.858 -13.832 13 HA ASN 2 HA ASN 2 6.341 0.318 -13.184 14 HB2 ASN 2 1HB ASN 2 3.808 1.501 -14.343 15 HB3 ASN 2 2HB ASN 2 5.305 2.404 -14.112 16 HD21 ASN 2 2HD2 ASN 2 6.776 -0.293 -14.778 17 HD22 ASN 2 1HD2 ASN 2 6.732 -0.334 -16.472 18 H VAL 3 H VAL 3 6.738 1.810 -11.579 19 HA VAL 3 HA VAL 3 4.834 1.825 -9.328 20 HB VAL 3 HB VAL 3 6.675 2.951 -8.107 21 HG11 VAL 3 1HG1 VAL 3 6.672 0.566 -8.030 22 HG12 VAL 3 2HG1 VAL 3 8.335 1.037 -8.366 23 HG13 VAL 3 3HG1 VAL 3 7.307 0.440 -9.668 24 HG21 VAL 3 3HG2 VAL 3 7.645 4.202 -10.000 25 HG22 VAL 3 1HG2 VAL 3 8.140 2.687 -10.757 26 HG23 VAL 3 2HG2 VAL 3 8.868 3.192 -9.232 27 H ALA 4 H ALA 4 4.141 3.755 -8.298 28 HA ALA 4 HA ALA 4 3.858 6.080 -10.167 29 HB1 ALA 4 3HB ALA 4 1.915 6.665 -8.668 30 HB2 ALA 4 1HB ALA 4 2.179 5.135 -7.831 31 HB3 ALA 4 2HB ALA 4 1.725 5.141 -9.535 32 H HIS 5 H HIS 5 4.311 8.151 -9.402 33 HA HIS 5 HA HIS 5 6.024 8.249 -6.956 34 HB2 HIS 5 1HB HIS 5 5.771 10.108 -9.332 35 HB3 HIS 5 2HB HIS 5 6.795 10.428 -7.933 36 HD1 HIS 5 HD1 HIS 5 8.482 10.224 -10.273 37 HD2 HIS 5 HD2 HIS 5 7.129 6.753 -8.403 38 HE1 HIS 5 HE1 HIS 5 10.052 8.368 -10.982 39 H TYR 6 H TYR 6 5.492 9.494 -5.249 40 HA TYR 6 HA TYR 6 3.364 11.532 -5.475 41 HB2 TYR 6 1HB TYR 6 2.168 9.412 -4.995 42 HB3 TYR 6 2HB TYR 6 3.149 9.209 -3.541 43 HD1 TYR 6 HD2 TYR 6 0.987 11.771 -5.224 44 HD2 TYR 6 HD1 TYR 6 2.332 10.072 -1.516 45 HE1 TYR 6 HE2 TYR 6 -0.569 13.248 -3.983 46 HE2 TYR 6 HE1 TYR 6 0.773 11.547 -0.275 47 HH TYR 6 HH TYR 6 -1.257 12.803 -0.648 48 H ARG 7 H ARG 7 4.111 13.245 -4.448 49 HA ARG 7 HA ARG 7 5.420 14.594 -3.065 50 HB2 ARG 7 1HB ARG 7 4.473 12.456 -1.147 51 HB3 ARG 7 2HB ARG 7 5.316 13.916 -0.626 52 HG2 ARG 7 1HG ARG 7 3.585 15.310 -1.682 53 HG3 ARG 7 2HG ARG 7 2.746 13.861 -2.236 54 HD2 ARG 7 1HD ARG 7 2.434 13.144 0.102 55 HD3 ARG 7 2HD ARG 7 3.269 14.594 0.659 56 HE ARG 7 HE ARG 7 1.154 15.468 -0.990 57 HH11 ARG 7 1HH2 ARG 7 1.643 13.721 1.952 58 HH12 ARG 7 2HH2 ARG 7 0.140 14.230 2.647 59 HH21 ARG 7 1HH1 ARG 7 -0.796 16.129 -0.093 60 HH22 ARG 7 2HH1 ARG 7 -1.237 15.589 1.492 61 H GLY 8 H GLY 8 6.820 12.504 -4.539 62 HA2 GLY 8 1HA GLY 8 9.185 12.163 -4.692 63 HA3 GLY 8 2HA GLY 8 9.336 12.555 -2.978 64 H TYR 9 H TYR 9 6.956 10.661 -2.537 65 HA TYR 9 HA TYR 9 8.606 8.295 -2.040 66 HB2 TYR 9 1HB TYR 9 5.668 8.842 -1.553 67 HB3 TYR 9 2HB TYR 9 6.504 7.376 -1.044 68 HD1 TYR 9 HD2 TYR 9 6.210 11.023 -0.537 69 HD2 TYR 9 HD1 TYR 9 8.106 7.400 0.778 70 HE1 TYR 9 HE2 TYR 9 7.008 12.182 1.506 71 HE2 TYR 9 HE1 TYR 9 8.901 8.560 2.821 72 HH TYR 9 HH TYR 9 8.342 10.493 4.173 73 H GLU 10 H GLU 10 8.408 6.293 -3.009 74 HA GLU 10 HA GLU 10 6.923 6.248 -5.609 75 HB2 GLU 10 1HB GLU 10 9.262 4.631 -4.580 76 HB3 GLU 10 2HB GLU 10 8.438 4.294 -6.102 77 HG2 GLU 10 1HG GLU 10 8.965 6.543 -6.910 78 HG3 GLU 10 2HG GLU 10 9.733 6.935 -5.372 79 H ILE 11 H ILE 11 5.395 4.736 -5.968 80 HA ILE 11 HA ILE 11 4.688 2.903 -3.704 81 HB ILE 11 HB ILE 11 2.924 4.210 -5.790 82 HG12 ILE 11 1HG1 ILE 11 2.980 4.550 -2.778 83 HG13 ILE 11 2HG1 ILE 11 3.819 5.633 -3.887 84 HG21 ILE 11 1HG2 ILE 11 1.117 3.200 -4.254 85 HG22 ILE 11 2HG2 ILE 11 2.400 2.168 -3.622 86 HG23 ILE 11 3HG2 ILE 11 1.961 2.087 -5.328 87 HD11 ILE 11 3HD1 ILE 11 0.873 5.042 -4.181 88 HD12 ILE 11 1HD1 ILE 11 1.794 6.385 -4.861 89 HD13 ILE 11 2HD1 ILE 11 1.461 6.332 -3.131 90 H GLU 12 H GLU 12 4.437 0.793 -4.129 91 HA GLU 12 HA GLU 12 4.745 -0.136 -6.961 92 HB2 GLU 12 1HB GLU 12 6.647 -0.595 -5.275 93 HB3 GLU 12 2HB GLU 12 5.527 -1.735 -4.528 94 HG2 GLU 12 1HG GLU 12 5.283 -2.932 -6.653 95 HG3 GLU 12 2HG GLU 12 6.339 -1.769 -7.449 96 HA PRO 13 HA PRO 13 0.467 -1.259 -5.601 97 HB2 PRO 13 1HB PRO 13 0.361 -1.798 -8.546 98 HB3 PRO 13 2HB PRO 13 -0.796 -0.928 -7.517 99 HG2 PRO 13 1HG PRO 13 0.844 0.383 -9.153 100 HG3 PRO 13 2HG PRO 13 0.443 1.019 -7.548 101 HD2 PRO 13 1HD PRO 13 2.970 -0.292 -8.474 102 HD3 PRO 13 2HD PRO 13 2.744 1.014 -7.293 103 H GLY 14 H GLY 14 -0.459 -3.275 -5.280 104 HA2 GLY 14 1HA GLY 14 0.213 -5.650 -6.739 105 HA3 GLY 14 2HA GLY 14 1.184 -5.575 -5.269 106 H HIS 15 H HIS 15 -0.199 -7.626 -4.969 107 HA HIS 15 HA HIS 15 -2.452 -6.920 -3.181 108 HB2 HIS 15 1HB HIS 15 -3.918 -8.638 -4.236 109 HB3 HIS 15 2HB HIS 15 -3.575 -7.288 -5.317 110 HD1 HIS 15 HD1 HIS 15 -1.511 -7.747 -7.063 111 HD2 HIS 15 HD2 HIS 15 -3.249 -11.107 -5.306 112 HE1 HIS 15 HE1 HIS 15 -0.843 -9.732 -8.490 113 H GLN 16 H GLN 16 -2.657 -8.353 -1.502 114 HA GLN 16 HA GLN 16 -1.642 -11.054 -1.549 115 HB2 GLN 16 1HB GLN 16 0.527 -9.887 -1.453 116 HB3 GLN 16 2HB GLN 16 -0.008 -9.016 -0.016 117 HG2 GLN 16 1HG GLN 16 -0.184 -11.064 1.250 118 HG3 GLN 16 2HG GLN 16 0.108 -12.039 -0.190 119 HE21 GLN 16 2HE2 GLN 16 1.786 -12.272 2.104 120 HE22 GLN 16 1HE2 GLN 16 3.322 -11.668 1.711 121 H TYR 17 H TYR 17 -2.037 -12.138 0.481 122 HA TYR 17 HA TYR 17 -4.017 -10.700 2.199 123 HB2 TYR 17 1HB TYR 17 -4.925 -12.861 2.745 124 HB3 TYR 17 2HB TYR 17 -4.728 -12.800 0.994 125 HD1 TYR 17 HD1 TYR 17 -2.868 -14.016 -0.110 126 HD2 TYR 17 HD2 TYR 17 -3.572 -14.318 4.117 127 HE1 TYR 17 HE1 TYR 17 -1.414 -16.023 -0.010 128 HE2 TYR 17 HE2 TYR 17 -2.118 -16.324 4.219 129 HH TYR 17 HH TYR 17 -0.324 -17.435 1.368 130 H ARG 18 H ARG 18 -3.712 -10.486 4.322 131 HA ARG 18 HA ARG 18 -1.086 -11.407 5.436 132 HB2 ARG 18 1HB ARG 18 -2.987 -9.237 6.349 133 HB3 ARG 18 2HB ARG 18 -1.497 -9.673 7.182 134 HG2 ARG 18 1HG ARG 18 -0.189 -9.118 5.184 135 HG3 ARG 18 2HG ARG 18 -1.666 -8.732 4.301 136 HD2 ARG 18 1HD ARG 18 -0.678 -6.661 5.106 137 HD3 ARG 18 2HD ARG 18 -2.157 -6.966 6.020 138 HE ARG 18 HE ARG 18 0.059 -8.121 7.410 139 HH11 ARG 18 1HH2 ARG 18 -1.339 -5.079 6.545 140 HH12 ARG 18 2HH2 ARG 18 -0.693 -4.254 7.924 141 HH21 ARG 18 1HH1 ARG 18 0.898 -7.056 9.192 142 HH22 ARG 18 2HH1 ARG 18 0.572 -5.370 9.420 143 H ASP 19 H ASP 19 -1.023 -12.671 7.264 144 HA ASP 19 HA ASP 19 -3.333 -14.281 7.888 145 HB2 ASP 19 1HB ASP 19 -1.875 -15.173 9.726 146 HB3 ASP 19 2HB ASP 19 -1.083 -15.191 8.151 147 H ASP 20 H ASP 20 -2.467 -11.173 8.798 148 HA ASP 20 HA ASP 20 -3.311 -11.085 11.539 149 HB2 ASP 20 1HB ASP 20 -2.044 -9.257 10.456 150 HB3 ASP 20 2HB ASP 20 -3.421 -8.930 9.405 151 H ILE 21 H ILE 21 -5.028 -10.617 8.482 152 HA ILE 21 HA ILE 21 -7.634 -10.877 9.954 153 HB ILE 21 HB ILE 21 -8.374 -9.554 7.692 154 HG12 ILE 21 1HG1 ILE 21 -6.691 -7.685 7.368 155 HG13 ILE 21 2HG1 ILE 21 -5.529 -8.633 8.285 156 HG21 ILE 21 1HG2 ILE 21 -7.294 -8.280 10.217 157 HG22 ILE 21 2HG2 ILE 21 -8.931 -8.884 9.969 158 HG23 ILE 21 3HG2 ILE 21 -8.359 -7.488 9.055 159 HD11 ILE 21 3HD1 ILE 21 -5.799 -10.493 6.639 160 HD12 ILE 21 1HD1 ILE 21 -5.214 -9.009 5.884 161 HD13 ILE 21 2HD1 ILE 21 -6.901 -9.469 5.715 162 H ARG 22 H ARG 22 -5.622 -12.638 8.337 163 HA ARG 22 HA ARG 22 -5.738 -14.303 6.664 164 HB2 ARG 22 1HB ARG 22 -8.312 -14.675 8.224 165 HB3 ARG 22 2HB ARG 22 -7.623 -15.884 7.137 166 HG2 ARG 22 1HG ARG 22 -5.550 -15.918 8.480 167 HG3 ARG 22 2HG ARG 22 -6.230 -14.704 9.563 168 HD2 ARG 22 1HD ARG 22 -7.510 -17.406 9.059 169 HD3 ARG 22 2HD ARG 22 -6.439 -17.067 10.419 170 HE ARG 22 HE ARG 22 -8.381 -15.082 10.563 171 HH11 ARG 22 1HH2 ARG 22 -8.334 -18.539 10.441 172 HH12 ARG 22 2HH2 ARG 22 -9.764 -18.713 11.402 173 HH21 ARG 22 1HH1 ARG 22 -10.233 -15.307 11.808 174 HH22 ARG 22 2HH1 ARG 22 -10.837 -16.888 12.174 175 H LYS 23 H LYS 23 -6.710 -11.746 5.729 176 HA LYS 23 HA LYS 23 -8.529 -12.731 3.584 177 HB2 LYS 23 1HB LYS 23 -8.953 -10.287 5.309 178 HB3 LYS 23 2HB LYS 23 -9.698 -10.444 3.723 179 HG2 LYS 23 1HG LYS 23 -9.989 -12.640 5.770 180 HG3 LYS 23 2HG LYS 23 -11.034 -11.219 5.832 181 HD2 LYS 23 1HD LYS 23 -11.713 -11.633 3.479 182 HD3 LYS 23 2HD LYS 23 -10.723 -13.090 3.459 183 HE2 LYS 23 1HE LYS 23 -12.038 -14.015 5.320 184 HE3 LYS 23 2HE LYS 23 -13.043 -12.564 5.325 185 HZ1 LYS 23 3HZ LYS 23 -12.715 -14.442 3.048 186 HZ2 LYS 23 1HZ LYS 23 -13.667 -13.039 3.038 187 HZ3 LYS 23 2HZ LYS 23 -14.077 -14.333 4.058 188 H TYR 24 H TYR 24 -8.657 -11.130 1.779 189 HA TYR 24 HA TYR 24 -5.930 -10.355 1.035 190 HB2 TYR 24 1HB TYR 24 -8.559 -10.297 -0.455 191 HB3 TYR 24 2HB TYR 24 -7.023 -9.794 -1.161 192 HD1 TYR 24 HD1 TYR 24 -5.242 -11.411 -1.602 193 HD2 TYR 24 HD2 TYR 24 -9.007 -12.639 0.063 194 HE1 TYR 24 HE1 TYR 24 -4.694 -13.778 -2.107 195 HE2 TYR 24 HE2 TYR 24 -8.460 -15.005 -0.444 196 HH TYR 24 HH TYR 24 -5.388 -15.881 -2.036 197 H VAL 25 H VAL 25 -5.164 -8.300 0.932 198 HA VAL 25 HA VAL 25 -7.075 -6.047 1.033 199 HB VAL 25 HB VAL 25 -5.753 -4.981 2.900 200 HG11 VAL 25 1HG1 VAL 25 -7.032 -7.620 3.643 201 HG12 VAL 25 2HG1 VAL 25 -7.948 -6.187 3.186 202 HG13 VAL 25 3HG1 VAL 25 -6.943 -6.163 4.629 203 HG21 VAL 25 3HG2 VAL 25 -4.300 -6.337 4.247 204 HG22 VAL 25 1HG2 VAL 25 -3.768 -6.546 2.579 205 HG23 VAL 25 2HG2 VAL 25 -4.733 -7.798 3.360 206 HA PRO 26 HA PRO 26 -4.437 -4.053 -1.910 207 HB2 PRO 26 1HB PRO 26 -4.267 -1.823 0.101 208 HB3 PRO 26 2HB PRO 26 -4.641 -1.748 -1.630 209 HG2 PRO 26 1HG PRO 26 -6.541 -1.605 0.312 210 HG3 PRO 26 2HG PRO 26 -6.849 -2.243 -1.313 211 HD2 PRO 26 1HD PRO 26 -6.764 -3.699 1.237 212 HD3 PRO 26 2HD PRO 26 -7.351 -4.246 -0.344 213 H TYR 27 H TYR 27 -2.446 -5.038 -1.985 214 HA TYR 27 HA TYR 27 -0.532 -4.557 0.276 215 HB2 TYR 27 1HB TYR 27 -1.117 -6.925 -0.301 216 HB3 TYR 27 2HB TYR 27 -0.398 -6.663 -1.891 217 HD1 TYR 27 HD1 TYR 27 0.281 -6.713 1.755 218 HD2 TYR 27 HD2 TYR 27 1.983 -6.612 -2.187 219 HE1 TYR 27 HE1 TYR 27 2.523 -7.155 2.714 220 HE2 TYR 27 HE2 TYR 27 4.227 -7.054 -1.229 221 HH TYR 27 HH TYR 27 5.419 -7.254 0.642 222 H ALA 28 H ALA 28 0.762 -2.880 -0.163 223 HA ALA 28 HA ALA 28 2.131 -2.829 -2.827 224 HB1 ALA 28 3HB ALA 28 0.506 -0.625 -1.588 225 HB2 ALA 28 1HB ALA 28 0.544 -1.170 -3.262 226 HB3 ALA 28 2HB ALA 28 1.881 -0.221 -2.615 227 H LEU 29 H LEU 29 4.231 -2.039 -2.735 228 HA LEU 29 HA LEU 29 5.359 -1.702 0.015 229 HB2 LEU 29 1HB LEU 29 6.674 -2.373 -2.637 230 HB3 LEU 29 2HB LEU 29 7.535 -2.208 -1.110 231 HG LEU 29 HG LEU 29 5.217 -4.126 -1.441 232 HD11 LEU 29 1HD1 LEU 29 8.154 -4.543 -2.031 233 HD12 LEU 29 2HD1 LEU 29 6.777 -4.881 -3.079 234 HD13 LEU 29 3HD1 LEU 29 7.067 -5.880 -1.656 235 HD21 LEU 29 3HD2 LEU 29 7.467 -3.771 0.560 236 HD22 LEU 29 1HD2 LEU 29 6.553 -5.274 0.443 237 HD23 LEU 29 2HD2 LEU 29 5.730 -3.779 0.862 238 H ILE 30 H ILE 30 5.936 0.268 0.629 239 HA ILE 30 HA ILE 30 6.338 2.393 -1.450 240 HB ILE 30 HB ILE 30 5.471 2.627 1.445 241 HG12 ILE 30 1HG1 ILE 30 3.965 3.261 -1.111 242 HG13 ILE 30 2HG1 ILE 30 3.785 1.744 -0.229 243 HG21 ILE 30 1HG2 ILE 30 5.071 5.050 0.674 244 HG22 ILE 30 2HG2 ILE 30 6.100 4.662 -0.704 245 HG23 ILE 30 3HG2 ILE 30 6.747 4.571 0.933 246 HD11 ILE 30 3HD1 ILE 30 2.958 2.893 1.725 247 HD12 ILE 30 1HD1 ILE 30 2.051 3.500 0.339 248 HD13 ILE 30 2HD1 ILE 30 3.353 4.466 1.031 249 H ARG 31 H ARG 31 8.265 3.398 -1.527 250 HA ARG 31 HA ARG 31 10.159 3.093 0.779 251 HB2 ARG 31 1HB ARG 31 11.980 2.844 -1.018 252 HB3 ARG 31 2HB ARG 31 10.962 1.438 -0.713 253 HG2 ARG 31 1HG ARG 31 9.979 3.341 -2.801 254 HG3 ARG 31 2HG ARG 31 11.410 2.405 -3.216 255 HD2 ARG 31 1HD ARG 31 8.821 1.200 -2.190 256 HD3 ARG 31 2HD ARG 31 9.288 1.272 -3.890 257 HE ARG 31 HE ARG 31 11.395 0.044 -2.398 258 HH11 ARG 31 1HH2 ARG 31 8.167 -0.461 -3.510 259 HH12 ARG 31 2HH2 ARG 31 8.326 -2.184 -3.576 260 HH21 ARG 31 1HH1 ARG 31 11.610 -2.194 -2.476 261 HH22 ARG 31 2HH1 ARG 31 10.272 -3.164 -2.992 262 H LYS 32 H LYS 32 11.313 4.902 1.213 263 HA LYS 32 HA LYS 32 10.565 7.375 -0.173 264 HB2 LYS 32 1HB LYS 32 10.768 7.251 2.301 265 HB3 LYS 32 2HB LYS 32 12.495 6.938 2.120 266 HG2 LYS 32 1HG LYS 32 12.801 9.090 1.002 267 HG3 LYS 32 2HG LYS 32 11.067 9.400 1.074 268 HD2 LYS 32 1HD LYS 32 11.167 9.338 3.547 269 HD3 LYS 32 2HD LYS 32 12.908 9.069 3.463 270 HE2 LYS 32 1HE LYS 32 11.492 11.475 2.279 271 HE3 LYS 32 2HE LYS 32 12.309 11.470 3.842 272 HZ1 LYS 32 3HZ LYS 32 14.372 11.095 2.836 273 HZ2 LYS 32 1HZ LYS 32 13.637 12.279 1.869 274 HZ3 LYS 32 2HZ LYS 32 13.678 10.662 1.346 275 H VAL 33 H VAL 33 11.797 8.486 -1.581 276 HA VAL 33 HA VAL 33 14.092 7.229 -2.795 277 HB VAL 33 HB VAL 33 12.946 10.016 -3.091 278 HG11 VAL 33 1HG1 VAL 33 15.152 8.556 -4.559 279 HG12 VAL 33 2HG1 VAL 33 15.207 10.162 -3.831 280 HG13 VAL 33 3HG1 VAL 33 14.263 9.889 -5.296 281 HG21 VAL 33 3HG2 VAL 33 12.733 7.514 -4.798 282 HG22 VAL 33 1HG2 VAL 33 12.015 9.080 -5.181 283 HG23 VAL 33 2HG2 VAL 33 11.452 8.169 -3.779 284 H GLY 34 H GLY 34 16.204 7.530 -2.420 285 HA2 GLY 34 1HA GLY 34 18.102 8.974 -1.797 286 HA3 GLY 34 2HA GLY 34 17.080 9.720 -0.563 287 H VAL 35 H VAL 35 16.062 6.758 -0.230 288 HA VAL 35 HA VAL 35 18.376 5.515 1.098 289 HB VAL 35 HB VAL 35 17.091 5.330 3.280 290 HG11 VAL 35 1HG1 VAL 35 17.852 7.450 4.087 291 HG12 VAL 35 2HG1 VAL 35 17.686 8.192 2.499 292 HG13 VAL 35 3HG1 VAL 35 18.956 7.003 2.786 293 HG21 VAL 35 3HG2 VAL 35 15.465 7.592 2.067 294 HG22 VAL 35 1HG2 VAL 35 15.280 6.907 3.682 295 HG23 VAL 35 2HG2 VAL 35 14.871 5.943 2.264 296 HA PRO 36 HA PRO 36 14.883 2.746 -0.546 297 HB2 PRO 36 1HB PRO 36 16.204 1.735 -2.743 298 HB3 PRO 36 2HB PRO 36 15.177 3.181 -2.808 299 HG2 PRO 36 1HG PRO 36 18.150 2.975 -2.691 300 HG3 PRO 36 2HG PRO 36 17.133 4.122 -3.577 301 HD2 PRO 36 1HD PRO 36 18.409 4.738 -1.209 302 HD3 PRO 36 2HD PRO 36 16.921 5.534 -1.765 303 H ASP 37 H ASP 37 18.147 2.556 0.378 304 HA ASP 37 HA ASP 37 18.485 -0.327 0.232 305 HB2 ASP 37 1HB ASP 37 19.933 1.857 1.755 306 HB3 ASP 37 2HB ASP 37 20.423 0.164 1.809 307 H ARG 38 H ARG 38 16.533 1.611 2.107 308 HA ARG 38 HA ARG 38 16.790 0.076 4.613 309 HB2 ARG 38 1HB ARG 38 14.944 2.306 3.750 310 HB3 ARG 38 2HB ARG 38 14.861 1.537 5.334 311 HG2 ARG 38 1HG ARG 38 17.219 2.155 5.749 312 HG3 ARG 38 2HG ARG 38 17.283 2.946 4.176 313 HD2 ARG 38 1HD ARG 38 15.473 4.481 4.877 314 HD3 ARG 38 2HD ARG 38 15.430 3.699 6.457 315 HE ARG 38 HE ARG 38 18.077 4.702 5.743 316 HH11 ARG 38 1HH2 ARG 38 14.988 5.410 7.128 317 HH12 ARG 38 2HH2 ARG 38 15.584 6.721 8.089 318 HH21 ARG 38 1HH1 ARG 38 18.851 6.406 6.987 319 HH22 ARG 38 2HH1 ARG 38 17.764 7.282 8.010 320 H THR 39 H THR 39 15.448 -1.491 5.306 321 HA THR 39 HA THR 39 14.066 -3.101 3.529 322 HB THR 39 HB THR 39 13.372 -2.819 6.458 323 HG1 THR 39 HG1 THR 39 15.094 -4.779 5.738 324 HG21 THR 39 3HG2 THR 39 12.822 -5.220 6.236 325 HG22 THR 39 1HG2 THR 39 13.229 -5.159 4.523 326 HG23 THR 39 2HG2 THR 39 11.843 -4.254 5.133 327 HA PRO 40 HA PRO 40 10.440 -0.467 2.865 328 HB2 PRO 40 1HB PRO 40 9.156 -2.073 1.050 329 HB3 PRO 40 2HB PRO 40 10.556 -1.062 0.639 330 HG2 PRO 40 1HG PRO 40 10.432 -3.990 1.184 331 HG3 PRO 40 2HG PRO 40 11.403 -3.102 -0.002 332 HD2 PRO 40 1HD PRO 40 12.386 -4.028 2.395 333 HD3 PRO 40 2HD PRO 40 13.074 -2.649 1.515 334 H ILE 41 H ILE 41 8.244 -0.428 3.449 335 HA ILE 41 HA ILE 41 7.317 -2.794 5.028 336 HB ILE 41 HB ILE 41 6.532 0.085 5.493 337 HG12 ILE 41 1HG1 ILE 41 8.077 -0.473 7.618 338 HG13 ILE 41 2HG1 ILE 41 8.855 -1.554 6.470 339 HG21 ILE 41 1HG2 ILE 41 6.281 -2.407 7.213 340 HG22 ILE 41 2HG2 ILE 41 4.965 -1.699 6.276 341 HG23 ILE 41 3HG2 ILE 41 5.682 -0.798 7.613 342 HD11 ILE 41 3HD1 ILE 41 8.714 0.694 4.949 343 HD12 ILE 41 1HD1 ILE 41 10.081 0.315 5.997 344 HD13 ILE 41 2HD1 ILE 41 8.819 1.409 6.556 345 HA PRO 42 HA PRO 42 4.017 -2.702 1.969 346 HB2 PRO 42 1HB PRO 42 2.408 -4.628 3.059 347 HB3 PRO 42 2HB PRO 42 3.927 -4.999 2.219 348 HG2 PRO 42 1HG PRO 42 3.385 -4.823 5.151 349 HG3 PRO 42 2HG PRO 42 4.354 -6.006 4.257 350 HD2 PRO 42 1HD PRO 42 5.453 -3.902 5.611 351 HD3 PRO 42 2HD PRO 42 6.206 -4.623 4.171 352 H THR 43 H THR 43 2.004 -1.749 1.747 353 HA THR 43 HA THR 43 0.779 -0.613 4.241 354 HB THR 43 HB THR 43 1.826 1.059 2.698 355 HG1 THR 43 HG1 THR 43 0.168 2.406 2.990 356 HG21 THR 43 3HG2 THR 43 0.849 1.494 0.545 357 HG22 THR 43 1HG2 THR 43 -0.422 0.302 0.814 358 HG23 THR 43 2HG2 THR 43 1.249 -0.222 0.595 359 H THR 44 H THR 44 -1.332 -0.929 4.569 360 HA THR 44 HA THR 44 -3.022 -2.094 2.409 361 HB THR 44 HB THR 44 -3.879 -3.808 3.870 362 HG1 THR 44 HG1 THR 44 -2.186 -2.607 5.800 363 HG21 THR 44 3HG2 THR 44 -0.920 -3.967 4.362 364 HG22 THR 44 1HG2 THR 44 -1.533 -4.024 2.708 365 HG23 THR 44 2HG2 THR 44 -2.038 -5.240 3.880 366 H TYR 45 H TYR 45 -5.357 -2.087 3.074 367 HA TYR 45 HA TYR 45 -5.935 0.220 4.876 368 HB2 TYR 45 1HB TYR 45 -6.232 0.262 2.130 369 HB3 TYR 45 2HB TYR 45 -7.852 -0.201 2.650 370 HD1 TYR 45 HD2 TYR 45 -5.131 2.161 3.703 371 HD2 TYR 45 HD1 TYR 45 -9.340 1.563 3.085 372 HE1 TYR 45 HE2 TYR 45 -5.561 4.508 4.371 373 HE2 TYR 45 HE1 TYR 45 -9.771 3.908 3.759 374 HH TYR 45 HH TYR 45 -8.511 5.654 5.243 375 HA PRO 46 HA PRO 46 -8.653 -2.429 7.212 376 HB2 PRO 46 1HB PRO 46 -10.677 -0.256 6.718 377 HB3 PRO 46 2HB PRO 46 -10.241 -1.056 8.241 378 HG2 PRO 46 1HG PRO 46 -9.360 1.405 7.615 379 HG3 PRO 46 2HG PRO 46 -8.384 0.261 8.554 380 HD2 PRO 46 1HD PRO 46 -8.001 1.181 5.764 381 HD3 PRO 46 2HD PRO 46 -6.833 0.460 6.891 382 H GLU 47 H GLU 47 -9.622 -1.037 4.151 383 HA GLU 47 HA GLU 47 -11.986 -2.634 3.734 384 HB2 GLU 47 1HB GLU 47 -10.142 -1.250 1.769 385 HB3 GLU 47 2HB GLU 47 -11.699 -1.961 1.344 386 HG2 GLU 47 1HG GLU 47 -11.321 0.199 3.434 387 HG3 GLU 47 2HG GLU 47 -11.834 0.500 1.774 388 H PHE 48 H PHE 48 -12.204 -4.329 2.120 389 HA PHE 48 HA PHE 48 -9.730 -5.979 1.735 390 HB2 PHE 48 1HB PHE 48 -12.501 -7.012 2.395 391 HB3 PHE 48 2HB PHE 48 -11.050 -7.985 2.164 392 HD1 PHE 48 HD2 PHE 48 -12.763 -5.586 4.390 393 HD2 PHE 48 HD1 PHE 48 -9.311 -8.080 3.848 394 HE1 PHE 48 HE2 PHE 48 -12.174 -5.288 6.781 395 HE2 PHE 48 HE1 PHE 48 -8.719 -7.775 6.232 396 HZ PHE 48 HZ PHE 48 -10.150 -6.384 7.704 397 H TYR 49 H TYR 49 -9.616 -7.081 -0.214 398 HA TYR 49 HA TYR 49 -11.880 -6.879 -2.117 399 HB2 TYR 49 1HB TYR 49 -9.169 -5.606 -2.566 400 HB3 TYR 49 2HB TYR 49 -10.317 -5.927 -3.870 401 HD1 TYR 49 HD2 TYR 49 -12.724 -5.032 -3.573 402 HD2 TYR 49 HD1 TYR 49 -9.376 -3.630 -1.286 403 HE1 TYR 49 HE2 TYR 49 -13.982 -2.977 -2.992 404 HE2 TYR 49 HE1 TYR 49 -10.630 -1.578 -0.702 405 HH TYR 49 HH TYR 49 -12.672 -0.608 -0.710 406 H ASP 50 H ASP 50 -12.066 -8.806 -3.030 407 HA ASP 50 HA ASP 50 -9.884 -10.771 -2.932 408 HB2 ASP 50 1HB ASP 50 -12.718 -10.863 -4.009 409 HB3 ASP 50 2HB ASP 50 -11.611 -12.233 -4.087 410 H LEU 51 H LEU 51 -11.178 -8.467 -5.145 411 HA LEU 51 HA LEU 51 -10.144 -9.783 -7.552 412 HB2 LEU 51 1HB LEU 51 -11.162 -6.954 -7.154 413 HB3 LEU 51 2HB LEU 51 -10.880 -7.739 -8.709 414 HG LEU 51 HG LEU 51 -12.842 -8.693 -6.596 415 HD11 LEU 51 1HD1 LEU 51 -13.389 -7.438 -9.302 416 HD12 LEU 51 2HD1 LEU 51 -13.467 -6.557 -7.776 417 HD13 LEU 51 3HD1 LEU 51 -14.580 -7.890 -8.082 418 HD21 LEU 51 3HD2 LEU 51 -11.971 -9.751 -9.286 419 HD22 LEU 51 1HD2 LEU 51 -13.614 -10.051 -8.718 420 HD23 LEU 51 2HD2 LEU 51 -12.242 -10.632 -7.782 421 H GLU 52 H GLU 52 -8.237 -9.428 -8.520 422 HA GLU 52 HA GLU 52 -6.093 -8.176 -7.043 423 HB2 GLU 52 1HB GLU 52 -5.769 -10.111 -8.577 424 HB3 GLU 52 2HB GLU 52 -6.185 -9.071 -9.940 425 HG2 GLU 52 1HG GLU 52 -4.276 -7.618 -9.452 426 HG3 GLU 52 2HG GLU 52 -3.880 -8.586 -8.033 427 H ALA 53 H ALA 53 -7.981 -7.266 -9.900 428 HA ALA 53 HA ALA 53 -6.516 -4.902 -10.568 429 HB1 ALA 53 3HB ALA 53 -8.102 -5.833 -12.147 430 HB2 ALA 53 1HB ALA 53 -8.677 -4.226 -11.700 431 HB3 ALA 53 2HB ALA 53 -9.419 -5.658 -10.990 432 H ASP 54 H ASP 54 -9.334 -5.414 -8.473 433 HA ASP 54 HA ASP 54 -9.752 -2.657 -7.797 434 HB2 ASP 54 1HB ASP 54 -11.365 -4.579 -7.408 435 HB3 ASP 54 2HB ASP 54 -10.346 -5.057 -6.052 436 H ALA 55 H ALA 55 -7.796 -5.214 -6.311 437 HA ALA 55 HA ALA 55 -7.013 -3.735 -3.983 438 HB1 ALA 55 3HB ALA 55 -5.045 -5.355 -3.988 439 HB2 ALA 55 1HB ALA 55 -5.691 -5.999 -5.495 440 HB3 ALA 55 2HB ALA 55 -6.639 -6.113 -4.013 441 H GLU 56 H GLU 56 -5.583 -4.011 -7.217 442 HA GLU 56 HA GLU 56 -3.212 -2.480 -6.644 443 HB2 GLU 56 1HB GLU 56 -4.702 -3.027 -9.224 444 HB3 GLU 56 2HB GLU 56 -3.148 -2.194 -9.160 445 HG2 GLU 56 1HG GLU 56 -2.107 -4.135 -8.114 446 HG3 GLU 56 2HG GLU 56 -3.660 -4.965 -8.043 447 H ARG 57 H ARG 57 -6.356 -1.579 -8.053 448 HA ARG 57 HA ARG 57 -5.732 1.194 -8.445 449 HB2 ARG 57 1HB ARG 57 -8.350 -0.274 -8.051 450 HB3 ARG 57 2HB ARG 57 -8.268 1.449 -8.418 451 HG2 ARG 57 1HG ARG 57 -7.025 0.952 -10.489 452 HG3 ARG 57 2HG ARG 57 -7.089 -0.770 -10.117 453 HD2 ARG 57 1HD ARG 57 -9.551 0.968 -10.456 454 HD3 ARG 57 2HD ARG 57 -8.857 -0.011 -11.748 455 HE ARG 57 HE ARG 57 -9.275 -1.699 -9.499 456 HH11 ARG 57 1HH2 ARG 57 -11.025 0.160 -11.830 457 HH12 ARG 57 2HH2 ARG 57 -12.418 -0.868 -11.785 458 HH21 ARG 57 1HH1 ARG 57 -11.079 -3.035 -9.438 459 HH22 ARG 57 2HH1 ARG 57 -12.449 -2.672 -10.434 460 H VAL 58 H VAL 58 -7.298 -0.521 -5.765 461 HA VAL 58 HA VAL 58 -7.790 1.814 -4.160 462 HB VAL 58 HB VAL 58 -7.483 -1.108 -3.414 463 HG11 VAL 58 1HG1 VAL 58 -8.294 1.308 -1.782 464 HG12 VAL 58 2HG1 VAL 58 -7.051 0.114 -1.409 465 HG13 VAL 58 3HG1 VAL 58 -8.755 -0.333 -1.328 466 HG21 VAL 58 3HG2 VAL 58 -9.990 0.583 -3.539 467 HG22 VAL 58 1HG2 VAL 58 -9.869 -1.175 -3.466 468 HG23 VAL 58 2HG2 VAL 58 -9.399 -0.319 -4.934 469 H SER 59 H SER 59 -5.115 -0.512 -4.268 470 HA SER 59 HA SER 59 -3.662 0.402 -2.022 471 HB2 SER 59 1HB SER 59 -1.708 -0.615 -3.075 472 HB3 SER 59 2HB SER 59 -3.111 -1.640 -3.366 473 HG SER 59 HG SER 59 -3.274 -0.766 -5.425 474 H ILE 60 H ILE 60 -3.623 1.596 -5.377 475 HA ILE 60 HA ILE 60 -1.522 3.520 -4.985 476 HB ILE 60 HB ILE 60 -3.853 3.465 -6.925 477 HG12 ILE 60 1HG1 ILE 60 -0.920 2.890 -7.395 478 HG13 ILE 60 2HG1 ILE 60 -2.094 1.631 -7.015 479 HG21 ILE 60 1HG2 ILE 60 -3.174 5.744 -6.844 480 HG22 ILE 60 2HG2 ILE 60 -2.317 5.068 -8.228 481 HG23 ILE 60 3HG2 ILE 60 -1.470 5.312 -6.700 482 HD11 ILE 60 3HD1 ILE 60 -3.359 2.097 -9.010 483 HD12 ILE 60 1HD1 ILE 60 -1.667 1.976 -9.491 484 HD13 ILE 60 2HD1 ILE 60 -2.426 3.560 -9.328 485 H ALA 61 H ALA 61 -5.065 3.801 -4.807 486 HA ALA 61 HA ALA 61 -5.085 6.601 -4.137 487 HB1 ALA 61 3HB ALA 61 -7.119 4.426 -3.573 488 HB2 ALA 61 1HB ALA 61 -7.086 5.466 -4.994 489 HB3 ALA 61 2HB ALA 61 -7.425 6.154 -3.405 490 H CYS 62 H CYS 62 -5.546 3.713 -2.091 491 HA CYS 62 HA CYS 62 -5.591 5.130 0.396 492 HB2 CYS 62 1HB CYS 62 -4.798 2.270 -0.248 493 HB3 CYS 62 2HB CYS 62 -5.038 2.881 1.386 494 HG CYS 62 HG CYS 62 -7.295 2.507 -0.729 495 H ALA 63 H ALA 63 -2.937 3.789 -1.520 496 HA ALA 63 HA ALA 63 -0.849 3.972 0.383 497 HB1 ALA 63 3HB ALA 63 -0.919 4.315 -2.617 498 HB2 ALA 63 1HB ALA 63 -0.295 2.949 -1.693 499 HB3 ALA 63 2HB ALA 63 0.590 4.478 -1.722 500 H LYS 64 H LYS 64 -2.177 6.449 -1.802 501 HA LYS 64 HA LYS 64 -0.378 8.550 -1.027 502 HB2 LYS 64 1HB LYS 64 -3.221 8.631 -2.070 503 HB3 LYS 64 2HB LYS 64 -2.225 10.070 -1.852 504 HG2 LYS 64 1HG LYS 64 -0.534 9.129 -3.387 505 HG3 LYS 64 2HG LYS 64 -1.538 7.697 -3.613 506 HD2 LYS 64 1HD LYS 64 -3.331 9.068 -4.564 507 HD3 LYS 64 2HD LYS 64 -2.390 10.533 -4.275 508 HE2 LYS 64 1HE LYS 64 -2.136 9.860 -6.610 509 HE3 LYS 64 2HE LYS 64 -0.602 9.634 -5.767 510 HZ1 LYS 64 3HZ LYS 64 -1.314 7.737 -7.199 511 HZ2 LYS 64 1HZ LYS 64 -2.600 7.473 -6.125 512 HZ3 LYS 64 2HZ LYS 64 -0.997 7.323 -5.582 513 H ILE 65 H ILE 65 -3.489 7.446 0.257 514 HA ILE 65 HA ILE 65 -3.799 9.534 2.215 515 HB ILE 65 HB ILE 65 -4.748 6.667 2.460 516 HG12 ILE 65 1HG1 ILE 65 -5.495 7.453 0.311 517 HG13 ILE 65 2HG1 ILE 65 -6.867 7.546 1.402 518 HG21 ILE 65 1HG2 ILE 65 -6.580 7.725 3.764 519 HG22 ILE 65 2HG2 ILE 65 -5.782 9.287 3.575 520 HG23 ILE 65 3HG2 ILE 65 -4.996 8.000 4.490 521 HD11 ILE 65 3HD1 ILE 65 -6.084 9.996 1.798 522 HD12 ILE 65 1HD1 ILE 65 -6.915 9.609 0.290 523 HD13 ILE 65 2HD1 ILE 65 -5.159 9.767 0.314 524 H ILE 66 H ILE 66 -2.326 6.319 2.325 525 HA ILE 66 HA ILE 66 -1.584 6.361 5.091 526 HB ILE 66 HB ILE 66 -0.395 4.926 2.702 527 HG12 ILE 66 1HG1 ILE 66 -2.836 4.498 3.603 528 HG13 ILE 66 2HG1 ILE 66 -1.798 3.130 3.227 529 HG21 ILE 66 1HG2 ILE 66 0.523 3.378 4.558 530 HG22 ILE 66 2HG2 ILE 66 0.247 4.738 5.644 531 HG23 ILE 66 3HG2 ILE 66 1.360 4.907 4.288 532 HD11 ILE 66 3HD1 ILE 66 -1.356 2.675 5.494 533 HD12 ILE 66 1HD1 ILE 66 -3.061 3.125 5.506 534 HD13 ILE 66 2HD1 ILE 66 -1.838 4.288 6.013 535 H ILE 67 H ILE 67 0.159 7.291 2.153 536 HA ILE 67 HA ILE 67 2.612 8.007 3.448 537 HB ILE 67 HB ILE 67 1.336 8.930 0.859 538 HG12 ILE 67 1HG1 ILE 67 3.712 7.107 1.302 539 HG13 ILE 67 2HG1 ILE 67 2.060 6.500 1.177 540 HG21 ILE 67 1HG2 ILE 67 4.024 9.565 2.080 541 HG22 ILE 67 2HG2 ILE 67 2.837 10.680 1.404 542 HG23 ILE 67 3HG2 ILE 67 3.762 9.625 0.336 543 HD11 ILE 67 3HD1 ILE 67 3.502 8.142 -0.928 544 HD12 ILE 67 1HD1 ILE 67 1.847 7.545 -1.053 545 HD13 ILE 67 2HD1 ILE 67 3.194 6.408 -1.010 546 H ASP 68 H ASP 68 -0.258 9.904 2.564 547 HA ASP 68 HA ASP 68 0.725 12.433 3.499 548 HB2 ASP 68 1HB ASP 68 -1.240 12.209 2.006 549 HB3 ASP 68 2HB ASP 68 -2.125 11.410 3.304 550 H SER 69 H SER 69 -1.260 9.932 5.044 551 HA SER 69 HA SER 69 -1.630 11.275 7.539 552 HB2 SER 69 1HB SER 69 -1.502 8.297 6.990 553 HB3 SER 69 2HB SER 69 -2.191 9.047 8.427 554 HG SER 69 HG SER 69 -3.516 8.472 6.356 555 H HIS 70 H HIS 70 0.920 9.107 6.381 556 HA HIS 70 HA HIS 70 2.295 8.775 8.853 557 HB2 HIS 70 1HB HIS 70 2.769 7.464 6.779 558 HB3 HIS 70 2HB HIS 70 3.507 8.903 6.079 559 HD1 HIS 70 HD1 HIS 70 3.855 7.043 9.401 560 HD2 HIS 70 HD2 HIS 70 6.230 8.841 6.484 561 HE1 HIS 70 HE1 HIS 70 6.255 6.752 10.154 562 H LEU 71 H LEU 71 2.572 11.277 6.366 563 HA LEU 71 HA LEU 71 4.795 12.664 7.513 564 HB2 LEU 71 1HB LEU 71 2.498 13.645 5.801 565 HB3 LEU 71 2HB LEU 71 3.914 14.623 6.187 566 HG LEU 71 HG LEU 71 4.062 11.903 4.856 567 HD11 LEU 71 1HD1 LEU 71 4.110 14.669 3.613 568 HD12 LEU 71 2HD1 LEU 71 2.872 13.436 3.374 569 HD13 LEU 71 3HD1 LEU 71 4.505 13.177 2.762 570 HD21 LEU 71 3HD2 LEU 71 6.061 14.054 5.553 571 HD22 LEU 71 1HD2 LEU 71 6.351 13.023 4.149 572 HD23 LEU 71 2HD2 LEU 71 6.195 12.307 5.749 573 H ASP 72 H ASP 72 1.299 13.028 8.004 574 HA ASP 72 HA ASP 72 1.662 15.221 9.919 575 HB2 ASP 72 1HB ASP 72 -0.726 13.521 9.159 576 HB3 ASP 72 2HB ASP 72 -0.805 14.813 10.355 577 H ARG 73 H ARG 73 0.223 11.970 10.264 578 HA ARG 73 HA ARG 73 1.849 11.262 12.537 579 HB2 ARG 73 1HB ARG 73 0.422 13.001 13.607 580 HB3 ARG 73 2HB ARG 73 -1.007 12.068 13.165 581 HG2 ARG 73 1HG ARG 73 -0.175 10.158 14.487 582 HG3 ARG 73 2HG ARG 73 1.260 11.085 14.924 583 HD2 ARG 73 1HD ARG 73 -0.355 11.221 16.745 584 HD3 ARG 73 2HD ARG 73 -0.226 12.803 15.977 585 HE ARG 73 HE ARG 73 -2.340 11.327 14.734 586 HH11 ARG 73 1HH2 ARG 73 -1.472 12.922 17.674 587 HH12 ARG 73 2HH2 ARG 73 -3.107 13.310 18.091 588 HH21 ARG 73 1HH1 ARG 73 -4.464 11.828 15.269 589 HH22 ARG 73 2HH1 ARG 73 -4.797 12.693 16.733 590 H HIS 74 H HIS 74 1.774 9.065 12.720 591 HA HIS 74 HA HIS 74 -0.658 7.535 12.183 592 HB2 HIS 74 1HB HIS 74 0.249 8.023 9.875 593 HB3 HIS 74 2HB HIS 74 1.687 7.106 10.324 594 HD1 HIS 74 HD1 HIS 74 -2.095 6.594 10.227 595 HD2 HIS 74 HD2 HIS 74 1.427 4.394 9.864 596 HE1 HIS 74 HE1 HIS 74 -2.784 4.232 9.626 597 H ASP 75 H ASP 75 -0.164 5.143 12.363 598 HA ASP 75 HA ASP 75 1.650 4.728 14.635 599 HB2 ASP 75 1HB ASP 75 -0.661 3.728 14.465 600 HB3 ASP 75 2HB ASP 75 -0.049 2.692 13.175 601 H GLN 76 H GLN 76 2.728 2.357 14.453 602 HA GLN 76 HA GLN 76 5.068 2.509 13.066 603 HB2 GLN 76 1HB GLN 76 4.392 0.676 14.647 604 HB3 GLN 76 2HB GLN 76 3.506 -0.077 13.322 605 HG2 GLN 76 1HG GLN 76 6.434 0.633 13.064 606 HG3 GLN 76 2HG GLN 76 5.915 -0.904 13.752 607 HE21 GLN 76 2HE2 GLN 76 7.180 -0.004 11.003 608 HE22 GLN 76 1HE2 GLN 76 6.237 -0.849 9.873 609 H GLY 77 H GLY 77 4.885 3.452 11.034 610 HA2 GLY 77 1HA GLY 77 4.406 1.607 8.837 611 HA3 GLY 77 2HA GLY 77 3.182 2.875 8.928 612 H LEU 78 H LEU 78 5.945 2.106 7.419 613 HA LEU 78 HA LEU 78 7.523 3.313 6.181 614 HB2 LEU 78 1HB LEU 78 5.758 5.729 6.662 615 HB3 LEU 78 2HB LEU 78 6.836 5.431 5.299 616 HG LEU 78 HG LEU 78 4.284 3.935 5.960 617 HD11 LEU 78 1HD1 LEU 78 3.915 6.075 4.854 618 HD12 LEU 78 2HD1 LEU 78 3.620 4.771 3.704 619 HD13 LEU 78 3HD1 LEU 78 5.126 5.686 3.632 620 HD21 LEU 78 3HD2 LEU 78 4.847 2.791 3.705 621 HD22 LEU 78 1HD2 LEU 78 5.741 2.253 5.127 622 HD23 LEU 78 2HD2 LEU 78 6.495 3.358 3.977 623 H ALA 79 H ALA 79 6.990 3.749 9.363 624 HA ALA 79 HA ALA 79 8.520 6.081 10.031 625 HB1 ALA 79 3HB ALA 79 7.041 4.867 11.639 626 HB2 ALA 79 1HB ALA 79 8.677 5.081 12.270 627 HB3 ALA 79 2HB ALA 79 8.176 3.519 11.623 628 H ASP 80 H ASP 80 9.404 2.741 9.342 629 HA ASP 80 HA ASP 80 12.119 2.825 10.227 630 HB2 ASP 80 1HB ASP 80 10.725 1.233 8.066 631 HB3 ASP 80 2HB ASP 80 12.423 0.984 8.475 632 H LEU 81 H LEU 81 10.640 3.663 7.112 633 HA LEU 81 HA LEU 81 13.079 4.198 5.701 634 HB2 LEU 81 1HB LEU 81 10.399 5.557 5.303 635 HB3 LEU 81 2HB LEU 81 11.679 5.372 4.103 636 HG LEU 81 HG LEU 81 10.166 3.085 5.402 637 HD11 LEU 81 1HD1 LEU 81 9.927 4.416 2.694 638 HD12 LEU 81 2HD1 LEU 81 8.669 4.229 3.915 639 HD13 LEU 81 3HD1 LEU 81 9.264 2.819 3.039 640 HD21 LEU 81 3HD2 LEU 81 12.272 2.213 4.798 641 HD22 LEU 81 1HD2 LEU 81 12.406 3.255 3.382 642 HD23 LEU 81 2HD2 LEU 81 11.297 1.884 3.367 643 H GLY 82 H GLY 82 10.981 6.244 7.693 644 HA2 GLY 82 1HA GLY 82 13.181 7.995 8.391 645 HA3 GLY 82 2HA GLY 82 12.091 8.765 7.234 Start of MODEL 10 1 H1 MET 1 1H MET 1 3.700 5.137 -15.979 2 H2 MET 1 2H MET 1 5.355 5.516 -15.941 3 H3 MET 1 3H MET 1 4.570 4.988 -14.531 4 HA MET 1 HA MET 1 4.089 3.008 -16.364 5 HB2 MET 1 1HB MET 1 6.988 3.895 -16.441 6 HB3 MET 1 2HB MET 1 6.329 2.440 -17.189 7 HG2 MET 1 1HG MET 1 5.483 5.274 -17.860 8 HG3 MET 1 2HG MET 1 6.573 4.289 -18.834 9 HE1 MET 1 3HE MET 1 4.698 1.616 -20.393 10 HE2 MET 1 1HE MET 1 4.951 1.209 -18.691 11 HE3 MET 1 2HE MET 1 6.175 2.120 -19.574 12 H ASN 2 H ASN 2 4.731 1.001 -15.469 13 HA ASN 2 HA ASN 2 4.952 -0.382 -13.572 14 HB2 ASN 2 1HB ASN 2 7.486 1.271 -13.536 15 HB3 ASN 2 2HB ASN 2 7.227 -0.117 -12.480 16 HD21 ASN 2 2HD2 ASN 2 9.302 -0.100 -14.463 17 HD22 ASN 2 1HD2 ASN 2 8.918 -1.261 -15.639 18 H VAL 3 H VAL 3 6.870 1.880 -11.838 19 HA VAL 3 HA VAL 3 4.768 2.078 -9.764 20 HB VAL 3 HB VAL 3 6.605 3.082 -8.399 21 HG11 VAL 3 1HG1 VAL 3 7.983 0.968 -8.340 22 HG12 VAL 3 2HG1 VAL 3 7.098 0.426 -9.766 23 HG13 VAL 3 3HG1 VAL 3 6.246 0.709 -8.251 24 HG21 VAL 3 3HG2 VAL 3 7.913 4.080 -10.233 25 HG22 VAL 3 1HG2 VAL 3 8.256 2.474 -10.878 26 HG23 VAL 3 2HG2 VAL 3 8.910 2.954 -9.312 27 H ALA 4 H ALA 4 4.113 4.085 -8.881 28 HA ALA 4 HA ALA 4 4.388 6.411 -10.761 29 HB1 ALA 4 3HB ALA 4 2.104 5.514 -10.584 30 HB2 ALA 4 1HB ALA 4 2.196 7.133 -9.889 31 HB3 ALA 4 2HB ALA 4 2.153 5.720 -8.835 32 H HIS 5 H HIS 5 5.094 8.313 -9.957 33 HA HIS 5 HA HIS 5 6.255 8.348 -7.271 34 HB2 HIS 5 1HB HIS 5 6.142 10.459 -9.438 35 HB3 HIS 5 2HB HIS 5 7.067 10.601 -7.943 36 HD1 HIS 5 HD1 HIS 5 8.830 10.723 -10.282 37 HD2 HIS 5 HD2 HIS 5 7.574 7.042 -8.781 38 HE1 HIS 5 HE1 HIS 5 10.503 9.006 -11.101 39 H TYR 6 H TYR 6 5.699 9.849 -5.622 40 HA TYR 6 HA TYR 6 3.313 11.534 -5.966 41 HB2 TYR 6 1HB TYR 6 2.406 9.269 -5.431 42 HB3 TYR 6 2HB TYR 6 3.307 9.308 -3.914 43 HD1 TYR 6 HD2 TYR 6 0.808 11.238 -5.911 44 HD2 TYR 6 HD1 TYR 6 2.373 10.353 -2.012 45 HE1 TYR 6 HE2 TYR 6 -1.013 12.566 -4.880 46 HE2 TYR 6 HE1 TYR 6 0.549 11.678 -0.979 47 HH TYR 6 HH TYR 6 -1.789 12.402 -1.627 48 H ARG 7 H ARG 7 4.055 13.369 -5.142 49 HA ARG 7 HA ARG 7 5.164 14.896 -3.771 50 HB2 ARG 7 1HB ARG 7 4.146 12.957 -1.673 51 HB3 ARG 7 2HB ARG 7 4.739 14.586 -1.340 52 HG2 ARG 7 1HG ARG 7 2.994 15.551 -2.762 53 HG3 ARG 7 2HG ARG 7 2.424 13.939 -3.195 54 HD2 ARG 7 1HD ARG 7 0.980 14.814 -1.449 55 HD3 ARG 7 2HD ARG 7 1.959 13.519 -0.762 56 HE ARG 7 HE ARG 7 3.299 16.017 -0.364 57 HH11 ARG 7 1HH2 ARG 7 0.533 14.203 0.657 58 HH12 ARG 7 2HH2 ARG 7 0.505 14.907 2.238 59 HH21 ARG 7 1HH1 ARG 7 3.260 16.930 1.687 60 HH22 ARG 7 2HH1 ARG 7 2.044 16.444 2.821 61 H GLY 8 H GLY 8 6.840 12.856 -4.882 62 HA2 GLY 8 1HA GLY 8 9.202 12.582 -4.687 63 HA3 GLY 8 2HA GLY 8 9.106 13.092 -3.000 64 H TYR 9 H TYR 9 6.682 10.957 -3.213 65 HA TYR 9 HA TYR 9 8.426 8.688 -2.321 66 HB2 TYR 9 1HB TYR 9 5.545 9.380 -1.736 67 HB3 TYR 9 2HB TYR 9 6.275 7.835 -1.296 68 HD1 TYR 9 HD2 TYR 9 6.447 11.506 -0.774 69 HD2 TYR 9 HD1 TYR 9 7.821 7.650 0.524 70 HE1 TYR 9 HE2 TYR 9 7.435 12.540 1.252 71 HE2 TYR 9 HE1 TYR 9 8.807 8.683 2.549 72 HH TYR 9 HH TYR 9 8.282 10.892 3.925 73 H GLU 10 H GLU 10 8.356 6.771 -3.327 74 HA GLU 10 HA GLU 10 6.896 6.601 -5.888 75 HB2 GLU 10 1HB GLU 10 8.957 4.828 -4.567 76 HB3 GLU 10 2HB GLU 10 8.222 4.469 -6.130 77 HG2 GLU 10 1HG GLU 10 9.057 6.580 -7.039 78 HG3 GLU 10 2HG GLU 10 9.732 7.015 -5.470 79 H ILE 11 H ILE 11 5.340 5.065 -6.333 80 HA ILE 11 HA ILE 11 4.304 3.470 -4.009 81 HB ILE 11 HB ILE 11 2.750 4.913 -6.170 82 HG12 ILE 11 1HG1 ILE 11 2.723 5.265 -3.161 83 HG13 ILE 11 2HG1 ILE 11 3.705 6.255 -4.241 84 HG21 ILE 11 1HG2 ILE 11 1.939 2.963 -4.005 85 HG22 ILE 11 2HG2 ILE 11 1.583 2.884 -5.730 86 HG23 ILE 11 3HG2 ILE 11 0.791 4.094 -4.722 87 HD11 ILE 11 3HD1 ILE 11 0.685 5.999 -4.280 88 HD12 ILE 11 1HD1 ILE 11 1.626 6.896 -5.471 89 HD13 ILE 11 2HD1 ILE 11 1.612 7.416 -3.786 90 H GLU 12 H GLU 12 4.128 1.363 -4.381 91 HA GLU 12 HA GLU 12 4.209 0.414 -7.217 92 HB2 GLU 12 1HB GLU 12 6.293 -0.082 -6.027 93 HB3 GLU 12 2HB GLU 12 5.378 -0.934 -4.781 94 HG2 GLU 12 1HG GLU 12 4.607 -2.581 -6.376 95 HG3 GLU 12 2HG GLU 12 5.269 -1.655 -7.724 96 HA PRO 13 HA PRO 13 0.262 -1.263 -5.744 97 HB2 PRO 13 1HB PRO 13 -0.663 -2.149 -8.147 98 HB3 PRO 13 2HB PRO 13 -0.646 -0.430 -7.706 99 HG2 PRO 13 1HG PRO 13 1.243 -1.963 -9.434 100 HG3 PRO 13 2HG PRO 13 0.589 -0.331 -9.652 101 HD2 PRO 13 1HD PRO 13 3.097 -0.846 -8.657 102 HD3 PRO 13 2HD PRO 13 2.181 0.627 -8.285 103 H GLY 14 H GLY 14 -0.660 -3.344 -5.414 104 HA2 GLY 14 1HA GLY 14 0.185 -5.769 -6.590 105 HA3 GLY 14 2HA GLY 14 1.214 -5.501 -5.182 106 H HIS 15 H HIS 15 0.070 -7.550 -4.513 107 HA HIS 15 HA HIS 15 -2.207 -6.841 -2.765 108 HB2 HIS 15 1HB HIS 15 -3.566 -8.749 -3.537 109 HB3 HIS 15 2HB HIS 15 -3.305 -7.591 -4.839 110 HD1 HIS 15 HD1 HIS 15 -1.237 -8.233 -6.514 111 HD2 HIS 15 HD2 HIS 15 -2.756 -11.325 -4.165 112 HE1 HIS 15 HE1 HIS 15 -0.460 -10.396 -7.583 113 H GLN 16 H GLN 16 -2.540 -8.429 -1.100 114 HA GLN 16 HA GLN 16 -0.645 -10.677 -0.891 115 HB2 GLN 16 1HB GLN 16 0.664 -8.777 -0.005 116 HB3 GLN 16 2HB GLN 16 -0.636 -8.420 1.133 117 HG2 GLN 16 1HG GLN 16 -0.352 -10.562 2.228 118 HG3 GLN 16 2HG GLN 16 0.809 -11.081 1.007 119 HE21 GLN 16 2HE2 GLN 16 1.431 -10.935 3.839 120 HE22 GLN 16 1HE2 GLN 16 2.627 -9.747 4.036 121 H TYR 17 H TYR 17 -1.245 -12.136 0.804 122 HA TYR 17 HA TYR 17 -4.081 -11.800 1.704 123 HB2 TYR 17 1HB TYR 17 -3.620 -13.739 0.241 124 HB3 TYR 17 2HB TYR 17 -2.436 -14.327 1.409 125 HD1 TYR 17 HD1 TYR 17 -6.020 -13.413 0.993 126 HD2 TYR 17 HD2 TYR 17 -3.121 -15.550 3.329 127 HE1 TYR 17 HE1 TYR 17 -7.849 -14.464 2.295 128 HE2 TYR 17 HE2 TYR 17 -4.949 -16.604 4.632 129 HH TYR 17 HH TYR 17 -7.780 -17.007 3.827 130 H ARG 18 H ARG 18 -4.401 -11.442 3.786 131 HA ARG 18 HA ARG 18 -2.197 -11.924 5.728 132 HB2 ARG 18 1HB ARG 18 -4.813 -10.413 5.998 133 HB3 ARG 18 2HB ARG 18 -3.552 -10.487 7.229 134 HG2 ARG 18 1HG ARG 18 -2.931 -9.517 4.435 135 HG3 ARG 18 2HG ARG 18 -3.598 -8.423 5.646 136 HD2 ARG 18 1HD ARG 18 -1.028 -10.016 5.916 137 HD3 ARG 18 2HD ARG 18 -1.156 -8.278 5.659 138 HE ARG 18 HE ARG 18 -1.632 -9.683 8.190 139 HH11 ARG 18 1HH2 ARG 18 -2.128 -6.852 6.266 140 HH12 ARG 18 2HH2 ARG 18 -2.402 -5.824 7.634 141 HH21 ARG 18 1HH1 ARG 18 -1.987 -8.357 9.959 142 HH22 ARG 18 2HH1 ARG 18 -2.322 -6.675 9.721 143 H ASP 19 H ASP 19 -2.365 -13.369 7.349 144 HA ASP 19 HA ASP 19 -4.542 -15.348 7.202 145 HB2 ASP 19 1HB ASP 19 -1.992 -15.153 8.826 146 HB3 ASP 19 2HB ASP 19 -3.136 -16.486 8.990 147 H ASP 20 H ASP 20 -3.552 -12.666 9.168 148 HA ASP 20 HA ASP 20 -4.923 -13.313 11.598 149 HB2 ASP 20 1HB ASP 20 -3.268 -11.470 11.386 150 HB3 ASP 20 2HB ASP 20 -4.406 -10.592 10.364 151 H ILE 21 H ILE 21 -5.951 -11.508 8.716 152 HA ILE 21 HA ILE 21 -8.773 -11.566 9.715 153 HB ILE 21 HB ILE 21 -9.151 -9.859 7.892 154 HG12 ILE 21 1HG1 ILE 21 -6.121 -9.738 7.829 155 HG13 ILE 21 2HG1 ILE 21 -7.075 -10.561 6.597 156 HG21 ILE 21 1HG2 ILE 21 -8.041 -8.035 9.161 157 HG22 ILE 21 2HG2 ILE 21 -7.079 -9.240 10.018 158 HG23 ILE 21 3HG2 ILE 21 -8.830 -9.197 10.228 159 HD11 ILE 21 3HD1 ILE 21 -6.562 -8.267 5.879 160 HD12 ILE 21 1HD1 ILE 21 -7.297 -7.630 7.350 161 HD13 ILE 21 2HD1 ILE 21 -8.296 -8.448 6.149 162 H ARG 22 H ARG 22 -6.879 -13.531 8.095 163 HA ARG 22 HA ARG 22 -7.075 -14.919 6.189 164 HB2 ARG 22 1HB ARG 22 -9.149 -16.289 6.325 165 HB3 ARG 22 2HB ARG 22 -8.366 -16.083 7.889 166 HG2 ARG 22 1HG ARG 22 -9.952 -14.376 8.534 167 HG3 ARG 22 2HG ARG 22 -10.672 -14.371 6.922 168 HD2 ARG 22 1HD ARG 22 -11.387 -16.704 7.238 169 HD3 ARG 22 2HD ARG 22 -10.630 -16.721 8.831 170 HE ARG 22 HE ARG 22 -12.426 -15.400 9.668 171 HH11 ARG 22 1HH2 ARG 22 -12.482 -15.690 6.223 172 HH12 ARG 22 2HH2 ARG 22 -14.081 -15.041 6.073 173 HH21 ARG 22 1HH1 ARG 22 -14.502 -14.567 9.477 174 HH22 ARG 22 2HH1 ARG 22 -15.222 -14.408 7.909 175 H LYS 23 H LYS 23 -7.458 -12.282 5.359 176 HA LYS 23 HA LYS 23 -9.264 -12.731 3.050 177 HB2 LYS 23 1HB LYS 23 -9.566 -10.484 5.042 178 HB3 LYS 23 2HB LYS 23 -10.143 -10.329 3.383 179 HG2 LYS 23 1HG LYS 23 -11.525 -12.342 3.662 180 HG3 LYS 23 2HG LYS 23 -10.946 -12.520 5.319 181 HD2 LYS 23 1HD LYS 23 -11.934 -10.371 5.931 182 HD3 LYS 23 2HD LYS 23 -12.439 -10.104 4.262 183 HE2 LYS 23 1HE LYS 23 -14.382 -10.941 5.330 184 HE3 LYS 23 2HE LYS 23 -13.717 -12.337 4.481 185 HZ1 LYS 23 3HZ LYS 23 -14.385 -12.540 6.958 186 HZ2 LYS 23 1HZ LYS 23 -12.894 -11.787 7.251 187 HZ3 LYS 23 2HZ LYS 23 -12.946 -13.267 6.419 188 H TYR 24 H TYR 24 -8.916 -11.173 1.337 189 HA TYR 24 HA TYR 24 -6.070 -10.472 1.104 190 HB2 TYR 24 1HB TYR 24 -8.398 -10.291 -0.826 191 HB3 TYR 24 2HB TYR 24 -6.746 -9.828 -1.236 192 HD1 TYR 24 HD2 TYR 24 -8.948 -12.650 -0.292 193 HD2 TYR 24 HD1 TYR 24 -5.017 -11.471 -1.557 194 HE1 TYR 24 HE2 TYR 24 -8.383 -15.022 -0.750 195 HE2 TYR 24 HE1 TYR 24 -4.452 -13.841 -2.013 196 HH TYR 24 HH TYR 24 -6.674 -16.230 -2.331 197 H VAL 25 H VAL 25 -5.245 -8.444 1.118 198 HA VAL 25 HA VAL 25 -7.140 -6.157 1.146 199 HB VAL 25 HB VAL 25 -5.672 -5.168 3.024 200 HG11 VAL 25 1HG1 VAL 25 -7.468 -7.544 3.589 201 HG12 VAL 25 2HG1 VAL 25 -8.008 -5.887 3.322 202 HG13 VAL 25 3HG1 VAL 25 -7.043 -6.281 4.744 203 HG21 VAL 25 3HG2 VAL 25 -3.988 -7.104 2.711 204 HG22 VAL 25 1HG2 VAL 25 -5.144 -8.083 3.615 205 HG23 VAL 25 2HG2 VAL 25 -4.418 -6.659 4.361 206 HA PRO 26 HA PRO 26 -4.409 -4.112 -1.651 207 HB2 PRO 26 1HB PRO 26 -4.342 -1.855 0.323 208 HB3 PRO 26 2HB PRO 26 -4.704 -1.822 -1.414 209 HG2 PRO 26 1HG PRO 26 -6.623 -1.662 0.487 210 HG3 PRO 26 2HG PRO 26 -6.897 -2.399 -1.102 211 HD2 PRO 26 1HD PRO 26 -6.700 -3.707 1.540 212 HD3 PRO 26 2HD PRO 26 -7.412 -4.299 0.026 213 H TYR 27 H TYR 27 -2.235 -4.243 -1.925 214 HA TYR 27 HA TYR 27 -0.430 -3.857 0.417 215 HB2 TYR 27 1HB TYR 27 -0.849 -6.275 0.247 216 HB3 TYR 27 2HB TYR 27 -0.364 -6.247 -1.448 217 HD1 TYR 27 HD2 TYR 27 0.790 -5.924 2.040 218 HD2 TYR 27 HD1 TYR 27 1.969 -5.997 -2.088 219 HE1 TYR 27 HE2 TYR 27 3.161 -6.167 2.721 220 HE2 TYR 27 HE1 TYR 27 4.341 -6.242 -1.407 221 HH TYR 27 HH TYR 27 5.628 -7.023 0.527 222 H ALA 28 H ALA 28 0.873 -2.262 -0.215 223 HA ALA 28 HA ALA 28 2.164 -2.452 -2.910 224 HB1 ALA 28 3HB ALA 28 0.528 -0.179 -1.831 225 HB2 ALA 28 1HB ALA 28 0.618 -0.806 -3.477 226 HB3 ALA 28 2HB ALA 28 1.922 0.199 -2.844 227 H LEU 29 H LEU 29 4.226 -1.490 -2.998 228 HA LEU 29 HA LEU 29 5.513 -1.119 -0.326 229 HB2 LEU 29 1HB LEU 29 6.762 -1.600 -3.048 230 HB3 LEU 29 2HB LEU 29 7.612 -1.587 -1.504 231 HG LEU 29 HG LEU 29 5.364 -3.500 -2.209 232 HD11 LEU 29 1HD1 LEU 29 7.264 -4.044 -3.587 233 HD12 LEU 29 2HD1 LEU 29 7.242 -5.194 -2.249 234 HD13 LEU 29 3HD1 LEU 29 8.375 -3.842 -2.231 235 HD21 LEU 29 3HD2 LEU 29 6.481 -4.706 -0.167 236 HD22 LEU 29 1HD2 LEU 29 5.404 -3.348 0.141 237 HD23 LEU 29 2HD2 LEU 29 7.150 -3.115 0.197 238 H ILE 30 H ILE 30 6.155 0.837 0.278 239 HA ILE 30 HA ILE 30 6.189 3.050 -1.740 240 HB ILE 30 HB ILE 30 5.857 3.144 1.271 241 HG12 ILE 30 1HG1 ILE 30 3.875 3.828 -0.918 242 HG13 ILE 30 2HG1 ILE 30 3.930 2.250 -0.132 243 HG21 ILE 30 1HG2 ILE 30 5.259 5.565 0.718 244 HG22 ILE 30 2HG2 ILE 30 5.961 5.276 -0.874 245 HG23 ILE 30 3HG2 ILE 30 6.966 5.145 0.570 246 HD11 ILE 30 3HD1 ILE 30 3.492 3.255 2.037 247 HD12 ILE 30 1HD1 ILE 30 2.263 3.816 0.902 248 HD13 ILE 30 2HD1 ILE 30 3.600 4.876 1.348 249 H ARG 31 H ARG 31 8.087 3.991 -2.177 250 HA ARG 31 HA ARG 31 10.426 3.418 -0.379 251 HB2 ARG 31 1HB ARG 31 10.772 4.154 -3.273 252 HB3 ARG 31 2HB ARG 31 11.793 3.147 -2.250 253 HG2 ARG 31 1HG ARG 31 9.031 2.333 -3.231 254 HG3 ARG 31 2HG ARG 31 10.547 1.845 -3.983 255 HD2 ARG 31 1HD ARG 31 9.896 1.307 -1.074 256 HD3 ARG 31 2HD ARG 31 9.613 0.146 -2.374 257 HE ARG 31 HE ARG 31 12.349 1.166 -2.306 258 HH11 ARG 31 1HH2 ARG 31 10.089 -1.177 -1.148 259 HH12 ARG 31 2HH2 ARG 31 11.311 -2.335 -0.742 260 HH21 ARG 31 1HH1 ARG 31 13.938 -0.328 -1.774 261 HH22 ARG 31 2HH1 ARG 31 13.485 -1.854 -1.095 262 H LYS 32 H LYS 32 11.566 5.110 0.354 263 HA LYS 32 HA LYS 32 10.632 7.842 -0.407 264 HB2 LYS 32 1HB LYS 32 10.544 7.219 1.987 265 HB3 LYS 32 2HB LYS 32 12.282 6.921 1.964 266 HG2 LYS 32 1HG LYS 32 12.694 9.265 1.348 267 HG3 LYS 32 2HG LYS 32 10.957 9.572 1.316 268 HD2 LYS 32 1HD LYS 32 10.815 8.982 3.714 269 HD3 LYS 32 2HD LYS 32 12.555 8.698 3.739 270 HE2 LYS 32 1HE LYS 32 12.959 11.041 3.094 271 HE3 LYS 32 2HE LYS 32 11.221 11.332 3.047 272 HZ1 LYS 32 3HZ LYS 32 11.344 11.801 5.195 273 HZ2 LYS 32 1HZ LYS 32 12.968 11.317 5.279 274 HZ3 LYS 32 2HZ LYS 32 11.729 10.174 5.496 275 H VAL 33 H VAL 33 11.857 8.867 -1.838 276 HA VAL 33 HA VAL 33 14.565 7.999 -2.476 277 HB VAL 33 HB VAL 33 13.216 10.546 -3.387 278 HG11 VAL 33 1HG1 VAL 33 15.577 10.302 -3.986 279 HG12 VAL 33 2HG1 VAL 33 14.578 10.097 -5.425 280 HG13 VAL 33 3HG1 VAL 33 15.270 8.686 -4.623 281 HG21 VAL 33 3HG2 VAL 33 12.360 9.148 -5.296 282 HG22 VAL 33 1HG2 VAL 33 11.621 8.742 -3.748 283 HG23 VAL 33 2HG2 VAL 33 12.885 7.711 -4.419 284 H GLY 34 H GLY 34 16.287 8.590 -1.323 285 HA2 GLY 34 1HA GLY 34 17.603 10.758 -0.781 286 HA3 GLY 34 2HA GLY 34 16.220 11.135 0.251 287 H VAL 35 H VAL 35 15.918 8.177 0.859 288 HA VAL 35 HA VAL 35 18.017 8.131 2.976 289 HB VAL 35 HB VAL 35 16.467 6.335 3.969 290 HG11 VAL 35 1HG1 VAL 35 15.020 8.107 4.930 291 HG12 VAL 35 2HG1 VAL 35 15.554 9.211 3.663 292 HG13 VAL 35 3HG1 VAL 35 16.708 8.611 4.853 293 HG21 VAL 35 3HG2 VAL 35 15.168 6.054 1.817 294 HG22 VAL 35 1HG2 VAL 35 14.508 7.668 2.080 295 HG23 VAL 35 2HG2 VAL 35 14.170 6.378 3.233 296 HA PRO 36 HA PRO 36 20.172 4.882 0.704 297 HB2 PRO 36 1HB PRO 36 20.961 4.068 3.479 298 HB3 PRO 36 2HB PRO 36 21.980 4.337 2.051 299 HG2 PRO 36 1HG PRO 36 21.833 6.117 4.048 300 HG3 PRO 36 2HG PRO 36 22.036 6.612 2.358 301 HD2 PRO 36 1HD PRO 36 19.626 6.819 4.095 302 HD3 PRO 36 2HD PRO 36 20.124 7.805 2.707 303 H ASP 37 H ASP 37 20.669 2.374 1.767 304 HA ASP 37 HA ASP 37 18.224 0.977 1.298 305 HB2 ASP 37 1HB ASP 37 20.853 0.128 2.519 306 HB3 ASP 37 2HB ASP 37 19.527 -1.001 2.241 307 H ARG 38 H ARG 38 16.785 -0.019 2.694 308 HA ARG 38 HA ARG 38 17.174 0.030 5.591 309 HB2 ARG 38 1HB ARG 38 14.918 1.390 5.796 310 HB3 ARG 38 2HB ARG 38 16.448 2.246 5.605 311 HG2 ARG 38 1HG ARG 38 14.675 3.094 4.072 312 HG3 ARG 38 2HG ARG 38 16.079 2.473 3.210 313 HD2 ARG 38 1HD ARG 38 14.949 0.464 2.606 314 HD3 ARG 38 2HD ARG 38 13.655 0.752 3.768 315 HE ARG 38 HE ARG 38 13.610 2.926 1.989 316 HH11 ARG 38 1HH2 ARG 38 13.289 -0.519 1.900 317 HH12 ARG 38 2HH2 ARG 38 12.199 -0.503 0.555 318 HH21 ARG 38 1HH1 ARG 38 12.200 2.943 0.249 319 HH22 ARG 38 2HH1 ARG 38 11.579 1.449 -0.370 320 H THR 39 H THR 39 14.717 -0.368 6.536 321 HA THR 39 HA THR 39 14.002 -2.942 5.353 322 HB THR 39 HB THR 39 12.749 -1.527 7.718 323 HG1 THR 39 HG1 THR 39 14.214 -2.785 8.898 324 HG21 THR 39 3HG2 THR 39 12.844 -4.473 6.990 325 HG22 THR 39 1HG2 THR 39 11.457 -3.430 6.675 326 HG23 THR 39 2HG2 THR 39 11.967 -3.742 8.334 327 HA PRO 40 HA PRO 40 10.699 -1.048 2.946 328 HB2 PRO 40 1HB PRO 40 9.486 -3.326 2.048 329 HB3 PRO 40 2HB PRO 40 11.053 -2.763 1.429 330 HG2 PRO 40 1HG PRO 40 10.477 -4.874 3.466 331 HG3 PRO 40 2HG PRO 40 11.642 -4.889 2.132 332 HD2 PRO 40 1HD PRO 40 12.356 -4.354 4.711 333 HD3 PRO 40 2HD PRO 40 13.212 -3.666 3.314 334 H ILE 41 H ILE 41 8.771 -0.244 3.560 335 HA ILE 41 HA ILE 41 7.187 -1.734 5.610 336 HB ILE 41 HB ILE 41 7.208 1.235 5.092 337 HG12 ILE 41 1HG1 ILE 41 9.379 0.552 5.944 338 HG13 ILE 41 2HG1 ILE 41 8.480 1.306 7.257 339 HG21 ILE 41 1HG2 ILE 41 6.096 1.236 7.360 340 HG22 ILE 41 2HG2 ILE 41 6.005 -0.521 7.254 341 HG23 ILE 41 3HG2 ILE 41 5.126 0.477 6.096 342 HD11 ILE 41 3HD1 ILE 41 9.337 -0.625 8.287 343 HD12 ILE 41 1HD1 ILE 41 9.138 -1.606 6.840 344 HD13 ILE 41 2HD1 ILE 41 7.729 -1.164 7.803 345 HA PRO 42 HA PRO 42 4.405 -1.770 2.020 346 HB2 PRO 42 1HB PRO 42 2.835 -3.842 2.860 347 HB3 PRO 42 2HB PRO 42 4.431 -4.081 2.121 348 HG2 PRO 42 1HG PRO 42 3.635 -4.208 4.986 349 HG3 PRO 42 2HG PRO 42 4.823 -5.179 4.100 350 HD2 PRO 42 1HD PRO 42 5.451 -3.046 5.750 351 HD3 PRO 42 2HD PRO 42 6.511 -3.656 4.463 352 H THR 43 H THR 43 2.339 -0.940 1.699 353 HA THR 43 HA THR 43 0.959 0.115 4.140 354 HB THR 43 HB THR 43 1.598 1.935 2.771 355 HG1 THR 43 HG1 THR 43 -0.848 1.774 1.599 356 HG21 THR 43 3HG2 THR 43 2.264 0.865 0.745 357 HG22 THR 43 1HG2 THR 43 0.946 1.951 0.304 358 HG23 THR 43 2HG2 THR 43 0.646 0.221 0.469 359 H THR 44 H THR 44 -1.041 -0.538 4.582 360 HA THR 44 HA THR 44 -2.649 -1.930 2.482 361 HB THR 44 HB THR 44 -3.209 -3.724 3.987 362 HG1 THR 44 HG1 THR 44 -2.430 -3.751 6.087 363 HG21 THR 44 3HG2 THR 44 -0.244 -3.354 4.363 364 HG22 THR 44 1HG2 THR 44 -0.931 -3.684 2.772 365 HG23 THR 44 2HG2 THR 44 -1.137 -4.847 4.081 366 H TYR 45 H TYR 45 -4.949 -2.180 3.212 367 HA TYR 45 HA TYR 45 -5.764 0.015 5.057 368 HB2 TYR 45 1HB TYR 45 -5.981 0.324 2.397 369 HB3 TYR 45 2HB TYR 45 -7.484 -0.556 2.671 370 HD1 TYR 45 HD2 TYR 45 -5.501 2.221 4.239 371 HD2 TYR 45 HD1 TYR 45 -9.385 0.732 3.172 372 HE1 TYR 45 HE2 TYR 45 -6.535 4.301 5.103 373 HE2 TYR 45 HE1 TYR 45 -10.420 2.810 4.039 374 HH TYR 45 HH TYR 45 -8.508 5.570 4.950 375 HA PRO 46 HA PRO 46 -8.200 -3.105 7.163 376 HB2 PRO 46 1HB PRO 46 -10.366 -1.021 7.025 377 HB3 PRO 46 2HB PRO 46 -9.801 -1.960 8.422 378 HG2 PRO 46 1HG PRO 46 -9.109 0.605 8.064 379 HG3 PRO 46 2HG PRO 46 -8.004 -0.573 8.793 380 HD2 PRO 46 1HD PRO 46 -7.886 0.686 6.107 381 HD3 PRO 46 2HD PRO 46 -6.589 -0.025 7.089 382 H GLU 47 H GLU 47 -9.632 -1.288 4.479 383 HA GLU 47 HA GLU 47 -11.806 -3.062 3.918 384 HB2 GLU 47 1HB GLU 47 -10.251 -1.171 2.135 385 HB3 GLU 47 2HB GLU 47 -11.714 -2.015 1.622 386 HG2 GLU 47 1HG GLU 47 -12.992 -0.971 3.419 387 HG3 GLU 47 2HG GLU 47 -11.538 -0.195 4.042 388 H PHE 48 H PHE 48 -11.964 -4.811 2.532 389 HA PHE 48 HA PHE 48 -9.405 -5.913 1.434 390 HB2 PHE 48 1HB PHE 48 -10.704 -8.192 1.894 391 HB3 PHE 48 2HB PHE 48 -9.770 -7.412 3.169 392 HD1 PHE 48 HD1 PHE 48 -13.223 -7.693 1.752 393 HD2 PHE 48 HD2 PHE 48 -10.805 -6.645 5.147 394 HE1 PHE 48 HE1 PHE 48 -15.263 -7.511 3.154 395 HE2 PHE 48 HE2 PHE 48 -12.842 -6.460 6.543 396 HZ PHE 48 HZ PHE 48 -15.073 -6.895 5.550 397 H TYR 49 H TYR 49 -9.544 -6.994 -0.519 398 HA TYR 49 HA TYR 49 -12.182 -6.957 -1.928 399 HB2 TYR 49 1HB TYR 49 -9.555 -5.895 -2.995 400 HB3 TYR 49 2HB TYR 49 -11.008 -6.130 -3.967 401 HD1 TYR 49 HD1 TYR 49 -9.551 -4.235 -1.128 402 HD2 TYR 49 HD2 TYR 49 -12.880 -4.637 -3.811 403 HE1 TYR 49 HE1 TYR 49 -10.421 -2.037 -0.378 404 HE2 TYR 49 HE2 TYR 49 -13.749 -2.439 -3.064 405 HH TYR 49 HH TYR 49 -13.579 -0.933 -1.204 406 H ASP 50 H ASP 50 -12.576 -8.824 -2.918 407 HA ASP 50 HA ASP 50 -10.778 -11.065 -2.765 408 HB2 ASP 50 1HB ASP 50 -13.251 -11.291 -2.833 409 HB3 ASP 50 2HB ASP 50 -13.250 -10.669 -4.483 410 H LEU 51 H LEU 51 -11.583 -8.750 -5.308 411 HA LEU 51 HA LEU 51 -10.108 -10.156 -7.381 412 HB2 LEU 51 1HB LEU 51 -10.966 -7.252 -7.291 413 HB3 LEU 51 2HB LEU 51 -10.511 -8.167 -8.731 414 HG LEU 51 HG LEU 51 -12.857 -8.812 -6.917 415 HD11 LEU 51 1HD1 LEU 51 -13.363 -6.817 -8.162 416 HD12 LEU 51 2HD1 LEU 51 -14.176 -8.150 -8.981 417 HD13 LEU 51 3HD1 LEU 51 -12.677 -7.494 -9.639 418 HD21 LEU 51 3HD2 LEU 51 -13.391 -10.270 -9.045 419 HD22 LEU 51 1HD2 LEU 51 -12.236 -10.873 -7.858 420 HD23 LEU 51 2HD2 LEU 51 -11.658 -10.134 -9.352 421 H GLU 52 H GLU 52 -8.036 -9.963 -7.951 422 HA GLU 52 HA GLU 52 -6.149 -8.693 -6.157 423 HB2 GLU 52 1HB GLU 52 -5.535 -10.735 -7.334 424 HB3 GLU 52 2HB GLU 52 -5.829 -9.963 -8.892 425 HG2 GLU 52 1HG GLU 52 -3.842 -8.729 -6.992 426 HG3 GLU 52 2HG GLU 52 -3.364 -10.121 -7.961 427 H ALA 53 H ALA 53 -7.404 -7.969 -9.389 428 HA ALA 53 HA ALA 53 -5.692 -5.750 -9.960 429 HB1 ALA 53 3HB ALA 53 -7.001 -6.750 -11.736 430 HB2 ALA 53 1HB ALA 53 -7.547 -5.082 -11.546 431 HB3 ALA 53 2HB ALA 53 -8.503 -6.406 -10.880 432 H ASP 54 H ASP 54 -8.834 -5.953 -8.327 433 HA ASP 54 HA ASP 54 -9.238 -3.126 -8.026 434 HB2 ASP 54 1HB ASP 54 -10.978 -4.927 -7.657 435 HB3 ASP 54 2HB ASP 54 -10.169 -5.305 -6.137 436 H ALA 55 H ALA 55 -7.522 -5.532 -6.104 437 HA ALA 55 HA ALA 55 -7.001 -3.916 -3.801 438 HB1 ALA 55 3HB ALA 55 -5.203 -6.049 -4.990 439 HB2 ALA 55 1HB ALA 55 -6.605 -6.404 -3.986 440 HB3 ALA 55 2HB ALA 55 -5.237 -5.520 -3.309 441 H GLU 56 H GLU 56 -5.311 -4.290 -6.883 442 HA GLU 56 HA GLU 56 -3.008 -2.703 -6.232 443 HB2 GLU 56 1HB GLU 56 -4.385 -3.304 -8.864 444 HB3 GLU 56 2HB GLU 56 -2.860 -2.429 -8.757 445 HG2 GLU 56 1HG GLU 56 -1.827 -4.343 -7.607 446 HG3 GLU 56 2HG GLU 56 -3.359 -5.213 -7.662 447 H ARG 57 H ARG 57 -6.108 -1.874 -7.766 448 HA ARG 57 HA ARG 57 -5.539 0.909 -8.166 449 HB2 ARG 57 1HB ARG 57 -8.135 -0.614 -7.824 450 HB3 ARG 57 2HB ARG 57 -8.082 1.105 -8.213 451 HG2 ARG 57 1HG ARG 57 -6.819 0.631 -10.256 452 HG3 ARG 57 2HG ARG 57 -6.772 -1.086 -9.855 453 HD2 ARG 57 1HD ARG 57 -8.551 -0.695 -11.480 454 HD3 ARG 57 2HD ARG 57 -9.277 -1.123 -9.930 455 HE ARG 57 HE ARG 57 -9.032 1.730 -10.120 456 HH11 ARG 57 1HH2 ARG 57 -10.787 -0.968 -11.386 457 HH12 ARG 57 2HH2 ARG 57 -12.218 -0.046 -11.700 458 HH21 ARG 57 1HH1 ARG 57 -10.889 2.929 -10.531 459 HH22 ARG 57 2HH1 ARG 57 -12.277 2.153 -11.217 460 H VAL 58 H VAL 58 -7.122 -0.828 -5.511 461 HA VAL 58 HA VAL 58 -7.706 1.510 -3.935 462 HB VAL 58 HB VAL 58 -7.355 -1.396 -3.151 463 HG11 VAL 58 1HG1 VAL 58 -8.681 -0.661 -1.109 464 HG12 VAL 58 2HG1 VAL 58 -8.345 1.002 -1.586 465 HG13 VAL 58 3HG1 VAL 58 -7.019 -0.076 -1.164 466 HG21 VAL 58 3HG2 VAL 58 -9.874 0.260 -3.465 467 HG22 VAL 58 1HG2 VAL 58 -9.768 -1.484 -3.215 468 HG23 VAL 58 2HG2 VAL 58 -9.229 -0.776 -4.737 469 H SER 59 H SER 59 -4.986 -0.766 -3.983 470 HA SER 59 HA SER 59 -3.582 0.199 -1.717 471 HB2 SER 59 1HB SER 59 -1.589 -0.790 -2.748 472 HB3 SER 59 2HB SER 59 -2.968 -1.855 -2.997 473 HG SER 59 HG SER 59 -1.549 -1.297 -4.876 474 H ILE 60 H ILE 60 -3.552 1.337 -5.077 475 HA ILE 60 HA ILE 60 -1.478 3.294 -4.730 476 HB ILE 60 HB ILE 60 -3.816 3.149 -6.657 477 HG12 ILE 60 1HG1 ILE 60 -0.870 2.618 -7.121 478 HG13 ILE 60 2HG1 ILE 60 -2.023 1.350 -6.708 479 HG21 ILE 60 1HG2 ILE 60 -2.316 4.749 -8.008 480 HG22 ILE 60 2HG2 ILE 60 -1.482 5.059 -6.486 481 HG23 ILE 60 3HG2 ILE 60 -3.195 5.441 -6.646 482 HD11 ILE 60 3HD1 ILE 60 -1.603 1.638 -9.192 483 HD12 ILE 60 1HD1 ILE 60 -2.388 3.213 -9.070 484 HD13 ILE 60 2HD1 ILE 60 -3.296 1.743 -8.712 485 H ALA 61 H ALA 61 -5.032 3.538 -4.530 486 HA ALA 61 HA ALA 61 -5.077 6.343 -3.870 487 HB1 ALA 61 3HB ALA 61 -7.399 5.793 -3.004 488 HB2 ALA 61 1HB ALA 61 -7.054 4.100 -3.357 489 HB3 ALA 61 2HB ALA 61 -7.106 5.279 -4.668 490 H CYS 62 H CYS 62 -5.423 3.437 -1.831 491 HA CYS 62 HA CYS 62 -5.482 4.787 0.675 492 HB2 CYS 62 1HB CYS 62 -4.440 2.028 -0.038 493 HB3 CYS 62 2HB CYS 62 -4.727 2.584 1.610 494 HG CYS 62 HG CYS 62 -6.835 1.284 0.314 495 H ALA 63 H ALA 63 -2.780 3.579 -1.267 496 HA ALA 63 HA ALA 63 -0.653 3.971 0.535 497 HB1 ALA 63 3HB ALA 63 0.689 4.496 -1.601 498 HB2 ALA 63 1HB ALA 63 -0.837 4.311 -2.463 499 HB3 ALA 63 2HB ALA 63 -0.163 2.949 -1.571 500 H LYS 64 H LYS 64 -2.285 6.336 -1.555 501 HA LYS 64 HA LYS 64 -0.552 8.550 -1.008 502 HB2 LYS 64 1HB LYS 64 -3.501 8.447 -1.690 503 HB3 LYS 64 2HB LYS 64 -2.572 9.947 -1.613 504 HG2 LYS 64 1HG LYS 64 -1.021 9.057 -3.327 505 HG3 LYS 64 2HG LYS 64 -1.984 7.583 -3.419 506 HD2 LYS 64 1HD LYS 64 -3.934 8.867 -4.162 507 HD3 LYS 64 2HD LYS 64 -3.027 10.370 -3.998 508 HE2 LYS 64 1HE LYS 64 -2.886 9.845 -6.307 509 HE3 LYS 64 2HE LYS 64 -1.337 9.326 -5.643 510 HZ1 LYS 64 3HZ LYS 64 -3.694 7.591 -6.147 511 HZ2 LYS 64 1HZ LYS 64 -2.233 7.076 -5.456 512 HZ3 LYS 64 2HZ LYS 64 -2.263 7.626 -7.063 513 H ILE 65 H ILE 65 -3.446 7.346 0.663 514 HA ILE 65 HA ILE 65 -3.576 9.460 2.614 515 HB ILE 65 HB ILE 65 -4.584 6.619 2.521 516 HG12 ILE 65 1HG1 ILE 65 -6.747 7.687 2.394 517 HG13 ILE 65 2HG1 ILE 65 -6.052 9.257 2.786 518 HG21 ILE 65 1HG2 ILE 65 -5.870 7.285 4.669 519 HG22 ILE 65 2HG2 ILE 65 -4.617 8.512 4.873 520 HG23 ILE 65 3HG2 ILE 65 -4.181 6.805 4.842 521 HD11 ILE 65 3HD1 ILE 65 -5.188 7.699 0.361 522 HD12 ILE 65 1HD1 ILE 65 -4.946 9.411 0.692 523 HD13 ILE 65 2HD1 ILE 65 -6.558 8.801 0.308 524 H ILE 66 H ILE 66 -1.949 6.306 2.650 525 HA ILE 66 HA ILE 66 -0.930 6.521 5.319 526 HB ILE 66 HB ILE 66 -0.105 4.943 2.882 527 HG12 ILE 66 1HG1 ILE 66 -0.629 3.045 4.588 528 HG13 ILE 66 2HG1 ILE 66 -1.403 4.309 5.543 529 HG21 ILE 66 1HG2 ILE 66 2.012 5.256 3.863 530 HG22 ILE 66 2HG2 ILE 66 1.470 3.721 4.543 531 HG23 ILE 66 3HG2 ILE 66 1.366 5.198 5.502 532 HD11 ILE 66 3HD1 ILE 66 -2.870 4.854 3.644 533 HD12 ILE 66 1HD1 ILE 66 -3.015 3.148 4.067 534 HD13 ILE 66 2HD1 ILE 66 -2.063 3.629 2.665 535 H ILE 67 H ILE 67 0.433 7.439 2.178 536 HA ILE 67 HA ILE 67 2.967 8.316 3.165 537 HB ILE 67 HB ILE 67 1.344 9.166 0.750 538 HG12 ILE 67 1HG1 ILE 67 3.843 7.463 0.904 539 HG13 ILE 67 2HG1 ILE 67 2.218 6.778 0.950 540 HG21 ILE 67 1HG2 ILE 67 4.136 9.920 1.628 541 HG22 ILE 67 2HG2 ILE 67 2.819 10.988 1.147 542 HG23 ILE 67 3HG2 ILE 67 3.634 9.996 -0.062 543 HD11 ILE 67 3HD1 ILE 67 3.457 8.403 -1.288 544 HD12 ILE 67 1HD1 ILE 67 1.748 7.969 -1.228 545 HD13 ILE 67 2HD1 ILE 67 2.976 6.708 -1.340 546 H ASP 68 H ASP 68 -0.093 10.036 2.653 547 HA ASP 68 HA ASP 68 0.849 12.623 3.460 548 HB2 ASP 68 1HB ASP 68 -1.284 12.274 2.250 549 HB3 ASP 68 2HB ASP 68 -1.936 11.438 3.659 550 H SER 69 H SER 69 -0.703 9.981 5.252 551 HA SER 69 HA SER 69 -0.810 11.315 7.787 552 HB2 SER 69 1HB SER 69 -0.498 8.341 7.304 553 HB3 SER 69 2HB SER 69 -1.172 9.110 8.737 554 HG SER 69 HG SER 69 -2.932 8.658 7.572 555 H HIS 70 H HIS 70 1.689 9.422 6.180 556 HA HIS 70 HA HIS 70 3.476 9.089 8.369 557 HB2 HIS 70 1HB HIS 70 3.782 7.961 6.196 558 HB3 HIS 70 2HB HIS 70 4.115 9.516 5.433 559 HD1 HIS 70 HD1 HIS 70 5.451 7.865 8.614 560 HD2 HIS 70 HD2 HIS 70 6.847 9.699 5.141 561 HE1 HIS 70 HE1 HIS 70 7.976 7.901 8.788 562 H LEU 71 H LEU 71 3.134 11.757 6.051 563 HA LEU 71 HA LEU 71 5.330 13.321 7.040 564 HB2 LEU 71 1HB LEU 71 2.756 14.153 5.669 565 HB3 LEU 71 2HB LEU 71 4.125 15.234 5.942 566 HG LEU 71 HG LEU 71 4.266 12.631 4.391 567 HD11 LEU 71 1HD1 LEU 71 4.495 14.128 2.402 568 HD12 LEU 71 2HD1 LEU 71 4.104 15.502 3.436 569 HD13 LEU 71 3HD1 LEU 71 2.909 14.232 3.166 570 HD21 LEU 71 3HD2 LEU 71 6.273 14.725 5.184 571 HD22 LEU 71 1HD2 LEU 71 6.450 13.967 3.598 572 HD23 LEU 71 2HD2 LEU 71 6.467 12.977 5.053 573 H ASP 72 H ASP 72 1.902 13.210 7.898 574 HA ASP 72 HA ASP 72 2.242 15.260 9.984 575 HB2 ASP 72 1HB ASP 72 0.128 14.953 8.591 576 HB3 ASP 72 2HB ASP 72 -0.148 13.467 9.497 577 H ARG 73 H ARG 73 0.801 12.004 10.153 578 HA ARG 73 HA ARG 73 1.614 11.718 12.949 579 HB2 ARG 73 1HB ARG 73 0.307 9.779 11.022 580 HB3 ARG 73 2HB ARG 73 0.558 9.462 12.740 581 HG2 ARG 73 1HG ARG 73 -0.829 11.377 13.338 582 HG3 ARG 73 2HG ARG 73 -1.013 11.810 11.637 583 HD2 ARG 73 1HD ARG 73 -3.003 10.605 12.375 584 HD3 ARG 73 2HD ARG 73 -2.109 9.597 11.237 585 HE ARG 73 HE ARG 73 -1.292 9.032 13.944 586 HH11 ARG 73 1HH2 ARG 73 -3.816 8.572 11.628 587 HH12 ARG 73 2HH2 ARG 73 -4.353 7.080 12.326 588 HH21 ARG 73 1HH1 ARG 73 -1.986 7.096 14.855 589 HH22 ARG 73 2HH1 ARG 73 -3.321 6.248 14.148 590 H HIS 74 H HIS 74 3.151 10.311 13.765 591 HA HIS 74 HA HIS 74 5.005 8.998 11.802 592 HB2 HIS 74 1HB HIS 74 5.652 10.487 14.366 593 HB3 HIS 74 2HB HIS 74 6.822 9.521 13.465 594 HD1 HIS 74 HD1 HIS 74 4.695 12.637 13.139 595 HD2 HIS 74 HD2 HIS 74 7.826 10.744 11.141 596 HE1 HIS 74 HE1 HIS 74 5.505 14.262 11.373 597 H ASP 75 H ASP 75 2.653 7.968 13.326 598 HA ASP 75 HA ASP 75 3.808 6.258 15.429 599 HB2 ASP 75 1HB ASP 75 1.041 6.511 14.233 600 HB3 ASP 75 2HB ASP 75 1.442 5.278 15.428 601 H GLN 76 H GLN 76 5.309 4.994 14.253 602 HA GLN 76 HA GLN 76 5.999 3.078 13.102 603 HB2 GLN 76 1HB GLN 76 3.972 2.120 14.354 604 HB3 GLN 76 2HB GLN 76 3.080 2.325 12.849 605 HG2 GLN 76 1HG GLN 76 3.915 0.077 12.857 606 HG3 GLN 76 2HG GLN 76 4.890 0.984 11.702 607 HE21 GLN 76 2HE2 GLN 76 6.882 -0.145 11.929 608 HE22 GLN 76 1HE2 GLN 76 7.742 -0.233 13.389 609 H GLY 77 H GLY 77 3.504 5.083 11.757 610 HA2 GLY 77 1HA GLY 77 3.269 4.143 9.137 611 HA3 GLY 77 2HA GLY 77 3.181 5.848 9.574 612 H LEU 78 H LEU 78 4.928 3.523 7.904 613 HA LEU 78 HA LEU 78 7.116 3.462 6.988 614 HB2 LEU 78 1HB LEU 78 6.430 6.366 6.447 615 HB3 LEU 78 2HB LEU 78 7.472 5.321 5.484 616 HG LEU 78 HG LEU 78 4.495 4.904 5.918 617 HD11 LEU 78 1HD1 LEU 78 6.063 5.864 3.503 618 HD12 LEU 78 2HD1 LEU 78 4.958 6.834 4.478 619 HD13 LEU 78 3HD1 LEU 78 4.338 5.498 3.508 620 HD21 LEU 78 3HD2 LEU 78 4.918 3.267 3.952 621 HD22 LEU 78 1HD2 LEU 78 5.441 2.756 5.556 622 HD23 LEU 78 2HD2 LEU 78 6.617 3.379 4.401 623 H ALA 79 H ALA 79 7.105 4.075 9.808 624 HA ALA 79 HA ALA 79 8.781 6.301 10.467 625 HB1 ALA 79 3HB ALA 79 7.444 5.048 12.140 626 HB2 ALA 79 1HB ALA 79 9.148 5.120 12.601 627 HB3 ALA 79 2HB ALA 79 8.483 3.645 11.900 628 H ASP 80 H ASP 80 9.505 2.970 9.546 629 HA ASP 80 HA ASP 80 12.322 3.052 10.112 630 HB2 ASP 80 1HB ASP 80 10.545 1.371 8.355 631 HB3 ASP 80 2HB ASP 80 12.293 1.209 8.209 632 H LEU 81 H LEU 81 10.406 4.004 7.313 633 HA LEU 81 HA LEU 81 12.785 4.581 5.688 634 HB2 LEU 81 1HB LEU 81 9.876 5.316 5.229 635 HB3 LEU 81 2HB LEU 81 11.163 5.392 4.028 636 HG LEU 81 HG LEU 81 10.200 2.872 5.421 637 HD11 LEU 81 1HD1 LEU 81 9.070 2.313 3.423 638 HD12 LEU 81 2HD1 LEU 81 9.945 3.521 2.481 639 HD13 LEU 81 3HD1 LEU 81 8.708 4.027 3.632 640 HD21 LEU 81 3HD2 LEU 81 11.632 1.886 3.444 641 HD22 LEU 81 1HD2 LEU 81 12.453 2.438 4.903 642 HD23 LEU 81 2HD2 LEU 81 12.422 3.464 3.469 643 H GLY 82 H GLY 82 11.277 6.099 8.236 644 HA2 GLY 82 1HA GLY 82 12.826 8.475 8.062 645 HA3 GLY 82 2HA GLY 82 11.220 8.841 7.426 Start of MODEL 11 1 H1 MET 1 1H MET 1 3.153 5.467 -15.209 2 H2 MET 1 2H MET 1 4.048 5.171 -13.796 3 H3 MET 1 3H MET 1 2.396 4.775 -13.858 4 HA MET 1 HA MET 1 2.720 2.923 -15.145 5 HB2 MET 1 1HB MET 1 5.321 4.248 -15.962 6 HB3 MET 1 2HB MET 1 4.859 2.616 -16.445 7 HG2 MET 1 1HG MET 1 2.848 3.480 -17.545 8 HG3 MET 1 2HG MET 1 3.232 5.114 -17.005 9 HE1 MET 1 3HE MET 1 5.117 2.042 -18.694 10 HE2 MET 1 1HE MET 1 5.104 2.652 -20.353 11 HE3 MET 1 2HE MET 1 3.589 2.401 -19.491 12 H ASN 2 H ASN 2 4.000 0.951 -14.687 13 HA ASN 2 HA ASN 2 4.853 -0.455 -12.992 14 HB2 ASN 2 1HB ASN 2 7.003 1.631 -13.413 15 HB3 ASN 2 2HB ASN 2 7.249 0.191 -12.424 16 HD21 ASN 2 2HD2 ASN 2 8.748 0.626 -14.834 17 HD22 ASN 2 1HD2 ASN 2 8.287 -0.553 -15.966 18 H VAL 3 H VAL 3 6.604 2.219 -11.607 19 HA VAL 3 HA VAL 3 4.913 2.017 -9.138 20 HB VAL 3 HB VAL 3 6.949 2.812 -7.943 21 HG11 VAL 3 1HG1 VAL 3 8.221 0.700 -8.206 22 HG12 VAL 3 2HG1 VAL 3 7.318 0.355 -9.682 23 HG13 VAL 3 3HG1 VAL 3 6.483 0.411 -8.131 24 HG21 VAL 3 3HG2 VAL 3 8.139 4.028 -9.626 25 HG22 VAL 3 1HG2 VAL 3 8.111 2.660 -10.738 26 HG23 VAL 3 2HG2 VAL 3 9.120 2.600 -9.297 27 H ALA 4 H ALA 4 3.881 3.826 -8.469 28 HA ALA 4 HA ALA 4 4.243 6.314 -10.041 29 HB1 ALA 4 3HB ALA 4 1.957 5.434 -9.607 30 HB2 ALA 4 1HB ALA 4 2.183 7.045 -8.924 31 HB3 ALA 4 2HB ALA 4 2.230 5.628 -7.876 32 H HIS 5 H HIS 5 4.468 8.388 -8.887 33 HA HIS 5 HA HIS 5 6.090 8.107 -6.378 34 HB2 HIS 5 1HB HIS 5 6.072 10.240 -8.528 35 HB3 HIS 5 2HB HIS 5 7.017 10.338 -7.042 36 HD1 HIS 5 HD1 HIS 5 8.691 10.317 -9.490 37 HD2 HIS 5 HD2 HIS 5 7.376 6.761 -7.757 38 HE1 HIS 5 HE1 HIS 5 10.268 8.503 -10.285 39 H TYR 6 H TYR 6 5.561 9.374 -4.594 40 HA TYR 6 HA TYR 6 3.427 11.396 -4.819 41 HB2 TYR 6 1HB TYR 6 2.212 9.236 -4.558 42 HB3 TYR 6 2HB TYR 6 3.086 8.949 -3.053 43 HD1 TYR 6 HD2 TYR 6 0.871 11.432 -4.758 44 HD2 TYR 6 HD1 TYR 6 2.279 9.843 -1.027 45 HE1 TYR 6 HE2 TYR 6 -0.784 12.821 -3.544 46 HE2 TYR 6 HE1 TYR 6 0.623 11.232 0.191 47 HH TYR 6 HH TYR 6 -1.985 12.587 -1.164 48 H ARG 7 H ARG 7 4.039 13.052 -3.528 49 HA ARG 7 HA ARG 7 5.202 14.236 -1.875 50 HB2 ARG 7 1HB ARG 7 4.622 11.695 -0.314 51 HB3 ARG 7 2HB ARG 7 5.127 13.223 0.396 52 HG2 ARG 7 1HG ARG 7 2.683 13.091 -1.367 53 HG3 ARG 7 2HG ARG 7 2.581 12.649 0.335 54 HD2 ARG 7 1HD ARG 7 3.560 15.316 -0.743 55 HD3 ARG 7 2HD ARG 7 2.011 15.018 0.032 56 HE ARG 7 HE ARG 7 3.921 14.141 1.868 57 HH11 ARG 7 1HH2 ARG 7 3.151 17.027 0.144 58 HH12 ARG 7 2HH2 ARG 7 3.722 18.083 1.392 59 HH21 ARG 7 1HH1 ARG 7 4.666 15.501 3.507 60 HH22 ARG 7 2HH1 ARG 7 4.580 17.219 3.298 61 H GLY 8 H GLY 8 6.695 12.369 -3.705 62 HA2 GLY 8 1HA GLY 8 9.045 12.114 -3.974 63 HA3 GLY 8 2HA GLY 8 9.262 12.538 -2.278 64 H TYR 9 H TYR 9 6.867 10.248 -2.390 65 HA TYR 9 HA TYR 9 8.815 8.062 -1.764 66 HB2 TYR 9 1HB TYR 9 5.933 8.509 -0.950 67 HB3 TYR 9 2HB TYR 9 6.820 7.017 -0.621 68 HD1 TYR 9 HD1 TYR 9 6.689 10.659 0.047 69 HD2 TYR 9 HD2 TYR 9 8.531 6.918 1.063 70 HE1 TYR 9 HE1 TYR 9 7.744 11.718 2.027 71 HE2 TYR 9 HE2 TYR 9 9.585 7.972 3.044 72 HH TYR 9 HH TYR 9 8.860 10.187 4.547 73 H GLU 10 H GLU 10 8.709 6.139 -2.870 74 HA GLU 10 HA GLU 10 7.183 6.150 -5.384 75 HB2 GLU 10 1HB GLU 10 9.167 4.207 -4.176 76 HB3 GLU 10 2HB GLU 10 8.406 3.975 -5.751 77 HG2 GLU 10 1HG GLU 10 9.349 6.082 -6.554 78 HG3 GLU 10 2HG GLU 10 10.042 6.403 -4.963 79 H ILE 11 H ILE 11 5.612 4.585 -5.923 80 HA ILE 11 HA ILE 11 4.493 2.989 -3.638 81 HB ILE 11 HB ILE 11 3.017 4.492 -5.818 82 HG12 ILE 11 1HG1 ILE 11 2.906 4.811 -2.807 83 HG13 ILE 11 2HG1 ILE 11 3.936 5.793 -3.847 84 HG21 ILE 11 1HG2 ILE 11 1.804 2.473 -5.447 85 HG22 ILE 11 2HG2 ILE 11 0.996 3.691 -4.462 86 HG23 ILE 11 3HG2 ILE 11 2.090 2.532 -3.709 87 HD11 ILE 11 3HD1 ILE 11 0.964 5.543 -4.325 88 HD12 ILE 11 1HD1 ILE 11 2.074 6.751 -4.971 89 HD13 ILE 11 2HD1 ILE 11 1.640 6.775 -3.262 90 H GLU 12 H GLU 12 4.288 0.852 -4.091 91 HA GLU 12 HA GLU 12 4.528 -0.014 -6.947 92 HB2 GLU 12 1HB GLU 12 6.381 -0.649 -5.308 93 HB3 GLU 12 2HB GLU 12 5.190 -1.694 -4.529 94 HG2 GLU 12 1HG GLU 12 4.788 -2.813 -6.718 95 HG3 GLU 12 2HG GLU 12 6.057 -1.818 -7.431 96 HA PRO 13 HA PRO 13 0.317 -1.382 -5.860 97 HB2 PRO 13 1HB PRO 13 -0.552 -2.020 -8.369 98 HB3 PRO 13 2HB PRO 13 -0.450 -0.349 -7.782 99 HG2 PRO 13 1HG PRO 13 1.407 -1.842 -9.575 100 HG3 PRO 13 2HG PRO 13 0.893 -0.146 -9.640 101 HD2 PRO 13 1HD PRO 13 3.321 -0.983 -8.608 102 HD3 PRO 13 2HD PRO 13 2.522 0.540 -8.148 103 H GLY 14 H GLY 14 -0.843 -3.434 -5.835 104 HA2 GLY 14 1HA GLY 14 -0.144 -5.826 -7.096 105 HA3 GLY 14 2HA GLY 14 0.903 -5.736 -5.679 106 H HIS 15 H HIS 15 -0.364 -7.711 -5.017 107 HA HIS 15 HA HIS 15 -2.666 -6.888 -3.341 108 HB2 HIS 15 1HB HIS 15 -4.031 -8.804 -4.149 109 HB3 HIS 15 2HB HIS 15 -3.730 -7.627 -5.427 110 HD1 HIS 15 HD1 HIS 15 -1.718 -8.257 -7.121 111 HD2 HIS 15 HD2 HIS 15 -3.096 -11.369 -4.712 112 HE1 HIS 15 HE1 HIS 15 -0.889 -10.404 -8.178 113 H GLN 16 H GLN 16 -2.902 -8.228 -1.504 114 HA GLN 16 HA GLN 16 -1.571 -10.776 -1.275 115 HB2 GLN 16 1HB GLN 16 0.288 -8.900 -1.083 116 HB3 GLN 16 2HB GLN 16 -0.347 -8.707 0.548 117 HG2 GLN 16 1HG GLN 16 0.578 -11.354 -0.613 118 HG3 GLN 16 2HG GLN 16 1.562 -10.320 0.422 119 HE21 GLN 16 2HE2 GLN 16 -0.031 -13.086 0.735 120 HE22 GLN 16 1HE2 GLN 16 -0.730 -12.906 2.272 121 H TYR 17 H TYR 17 -2.207 -11.851 0.638 122 HA TYR 17 HA TYR 17 -4.307 -10.429 2.227 123 HB2 TYR 17 1HB TYR 17 -5.253 -12.624 2.660 124 HB3 TYR 17 2HB TYR 17 -5.011 -12.450 0.923 125 HD1 TYR 17 HD1 TYR 17 -3.114 -13.586 -0.209 126 HD2 TYR 17 HD2 TYR 17 -3.966 -14.193 3.957 127 HE1 TYR 17 HE1 TYR 17 -1.679 -15.610 -0.209 128 HE2 TYR 17 HE2 TYR 17 -2.531 -16.214 3.957 129 HH TYR 17 HH TYR 17 -1.621 -17.817 1.293 130 H ARG 18 H ARG 18 -4.088 -10.282 4.421 131 HA ARG 18 HA ARG 18 -1.451 -11.037 5.525 132 HB2 ARG 18 1HB ARG 18 -3.770 -9.472 6.694 133 HB3 ARG 18 2HB ARG 18 -2.233 -9.744 7.517 134 HG2 ARG 18 1HG ARG 18 -1.028 -8.602 5.727 135 HG3 ARG 18 2HG ARG 18 -2.521 -8.406 4.810 136 HD2 ARG 18 1HD ARG 18 -2.032 -6.326 5.972 137 HD3 ARG 18 2HD ARG 18 -3.454 -7.065 6.702 138 HE ARG 18 HE ARG 18 -1.112 -7.924 8.106 139 HH11 ARG 18 1HH2 ARG 18 -3.114 -5.186 7.499 140 HH12 ARG 18 2HH2 ARG 18 -2.798 -4.446 9.033 141 HH21 ARG 18 1HH1 ARG 18 -0.685 -6.975 10.113 142 HH22 ARG 18 2HH1 ARG 18 -1.422 -5.460 10.514 143 H ASP 19 H ASP 19 -1.124 -12.657 6.985 144 HA ASP 19 HA ASP 19 -3.175 -14.663 7.333 145 HB2 ASP 19 1HB ASP 19 -0.448 -14.289 8.601 146 HB3 ASP 19 2HB ASP 19 -1.473 -15.692 8.899 147 H ASP 20 H ASP 20 -2.303 -11.815 9.071 148 HA ASP 20 HA ASP 20 -3.129 -12.549 11.702 149 HB2 ASP 20 1HB ASP 20 -3.104 -9.897 10.247 150 HB3 ASP 20 2HB ASP 20 -3.559 -10.047 11.945 151 H ILE 21 H ILE 21 -4.955 -11.116 9.001 152 HA ILE 21 HA ILE 21 -7.498 -11.776 10.451 153 HB ILE 21 HB ILE 21 -8.545 -10.030 9.049 154 HG12 ILE 21 1HG1 ILE 21 -5.720 -9.404 8.127 155 HG13 ILE 21 2HG1 ILE 21 -6.895 -10.263 7.134 156 HG21 ILE 21 1HG2 ILE 21 -7.511 -8.113 10.155 157 HG22 ILE 21 2HG2 ILE 21 -6.046 -9.046 10.458 158 HG23 ILE 21 3HG2 ILE 21 -7.550 -9.478 11.271 159 HD11 ILE 21 3HD1 ILE 21 -8.463 -8.292 7.485 160 HD12 ILE 21 1HD1 ILE 21 -7.041 -7.961 6.496 161 HD13 ILE 21 2HD1 ILE 21 -7.088 -7.433 8.178 162 H ARG 22 H ARG 22 -5.478 -12.838 8.071 163 HA ARG 22 HA ARG 22 -5.755 -14.198 6.183 164 HB2 ARG 22 1HB ARG 22 -8.078 -15.022 7.940 165 HB3 ARG 22 2HB ARG 22 -7.638 -15.888 6.470 166 HG2 ARG 22 1HG ARG 22 -5.575 -15.358 8.609 167 HG3 ARG 22 2HG ARG 22 -6.678 -16.724 8.750 168 HD2 ARG 22 1HD ARG 22 -5.941 -17.512 6.501 169 HD3 ARG 22 2HD ARG 22 -4.774 -16.196 6.450 170 HE ARG 22 HE ARG 22 -4.581 -17.977 8.789 171 HH11 ARG 22 1HH2 ARG 22 -3.520 -17.108 5.613 172 HH12 ARG 22 2HH2 ARG 22 -1.998 -17.917 5.762 173 HH21 ARG 22 1HH1 ARG 22 -2.594 -19.038 8.984 174 HH22 ARG 22 2HH1 ARG 22 -1.476 -19.009 7.662 175 H LYS 23 H LYS 23 -6.602 -11.700 5.558 176 HA LYS 23 HA LYS 23 -8.889 -12.261 3.748 177 HB2 LYS 23 1HB LYS 23 -8.662 -9.906 5.642 178 HB3 LYS 23 2HB LYS 23 -9.709 -9.878 4.226 179 HG2 LYS 23 1HG LYS 23 -9.895 -12.125 6.234 180 HG3 LYS 23 2HG LYS 23 -10.734 -10.600 6.509 181 HD2 LYS 23 1HD LYS 23 -11.888 -10.846 4.331 182 HD3 LYS 23 2HD LYS 23 -11.078 -12.385 4.072 183 HE2 LYS 23 1HE LYS 23 -12.116 -13.293 6.106 184 HE3 LYS 23 2HE LYS 23 -12.934 -11.754 6.373 185 HZ1 LYS 23 3HZ LYS 23 -14.441 -12.198 4.806 186 HZ2 LYS 23 1HZ LYS 23 -13.941 -13.811 4.955 187 HZ3 LYS 23 2HZ LYS 23 -13.293 -12.833 3.728 188 H TYR 24 H TYR 24 -8.930 -10.835 1.891 189 HA TYR 24 HA TYR 24 -6.212 -10.122 1.035 190 HB2 TYR 24 1HB TYR 24 -8.897 -10.113 -0.349 191 HB3 TYR 24 2HB TYR 24 -7.398 -9.610 -1.135 192 HD1 TYR 24 HD1 TYR 24 -9.211 -12.453 0.393 193 HD2 TYR 24 HD2 TYR 24 -5.694 -11.205 -1.732 194 HE1 TYR 24 HE1 TYR 24 -8.645 -14.824 -0.063 195 HE2 TYR 24 HE2 TYR 24 -5.127 -13.574 -2.190 196 HH TYR 24 HH TYR 24 -5.593 -15.783 -1.256 197 H VAL 25 H VAL 25 -5.415 -8.055 0.978 198 HA VAL 25 HA VAL 25 -7.325 -5.789 0.964 199 HB VAL 25 HB VAL 25 -5.903 -4.694 2.811 200 HG11 VAL 25 1HG1 VAL 25 -8.218 -5.531 3.127 201 HG12 VAL 25 2HG1 VAL 25 -7.238 -5.746 4.576 202 HG13 VAL 25 3HG1 VAL 25 -7.572 -7.122 3.524 203 HG21 VAL 25 3HG2 VAL 25 -5.226 -7.596 3.369 204 HG22 VAL 25 1HG2 VAL 25 -4.704 -6.188 4.292 205 HG23 VAL 25 2HG2 VAL 25 -4.093 -6.446 2.658 206 HA PRO 26 HA PRO 26 -4.604 -3.887 -1.975 207 HB2 PRO 26 1HB PRO 26 -4.442 -1.640 0.014 208 HB3 PRO 26 2HB PRO 26 -4.738 -1.575 -1.732 209 HG2 PRO 26 1HG PRO 26 -6.719 -1.335 0.078 210 HG3 PRO 26 2HG PRO 26 -6.963 -2.064 -1.519 211 HD2 PRO 26 1HD PRO 26 -6.964 -3.378 1.126 212 HD3 PRO 26 2HD PRO 26 -7.562 -3.988 -0.430 213 H TYR 27 H TYR 27 -2.593 -4.899 -1.998 214 HA TYR 27 HA TYR 27 -0.746 -4.410 0.318 215 HB2 TYR 27 1HB TYR 27 -1.291 -6.783 -0.313 216 HB3 TYR 27 2HB TYR 27 -0.517 -6.489 -1.870 217 HD1 TYR 27 HD1 TYR 27 0.078 -6.382 1.811 218 HD2 TYR 27 HD2 TYR 27 1.841 -6.610 -2.099 219 HE1 TYR 27 HE1 TYR 27 2.296 -6.800 2.835 220 HE2 TYR 27 HE2 TYR 27 4.060 -7.030 -1.075 221 HH TYR 27 HH TYR 27 4.472 -7.932 2.103 222 H ALA 28 H ALA 28 0.603 -2.712 -0.112 223 HA ALA 28 HA ALA 28 1.951 -2.664 -2.788 224 HB1 ALA 28 3HB ALA 28 0.590 -0.875 -3.281 225 HB2 ALA 28 1HB ALA 28 1.740 0.015 -2.282 226 HB3 ALA 28 2HB ALA 28 0.225 -0.558 -1.586 227 H LEU 29 H LEU 29 4.033 -1.646 -2.730 228 HA LEU 29 HA LEU 29 5.225 -1.563 0.026 229 HB2 LEU 29 1HB LEU 29 6.578 -2.037 -2.647 230 HB3 LEU 29 2HB LEU 29 7.346 -2.120 -1.062 231 HG LEU 29 HG LEU 29 5.065 -3.890 -1.998 232 HD11 LEU 29 1HD1 LEU 29 7.063 -4.518 -3.171 233 HD12 LEU 29 2HD1 LEU 29 6.870 -5.672 -1.851 234 HD13 LEU 29 3HD1 LEU 29 8.043 -4.361 -1.713 235 HD21 LEU 29 3HD2 LEU 29 5.930 -5.181 0.138 236 HD22 LEU 29 1HD2 LEU 29 4.829 -3.821 0.334 237 HD23 LEU 29 2HD2 LEU 29 6.558 -3.603 0.608 238 H ILE 30 H ILE 30 5.991 0.354 0.710 239 HA ILE 30 HA ILE 30 6.143 2.611 -1.247 240 HB ILE 30 HB ILE 30 5.835 2.604 1.769 241 HG12 ILE 30 1HG1 ILE 30 3.865 3.435 -0.381 242 HG13 ILE 30 2HG1 ILE 30 3.860 1.842 0.379 243 HG21 ILE 30 1HG2 ILE 30 5.361 5.058 1.383 244 HG22 ILE 30 2HG2 ILE 30 5.961 4.848 -0.263 245 HG23 ILE 30 3HG2 ILE 30 7.038 4.584 1.109 246 HD11 ILE 30 3HD1 ILE 30 3.600 4.478 1.856 247 HD12 ILE 30 1HD1 ILE 30 3.545 2.874 2.585 248 HD13 ILE 30 2HD1 ILE 30 2.266 3.388 1.482 249 H ARG 31 H ARG 31 8.120 3.442 -1.686 250 HA ARG 31 HA ARG 31 10.363 2.942 0.240 251 HB2 ARG 31 1HB ARG 31 10.378 2.644 -2.777 252 HB3 ARG 31 2HB ARG 31 11.839 2.682 -1.788 253 HG2 ARG 31 1HG ARG 31 11.048 0.726 -0.521 254 HG3 ARG 31 2HG ARG 31 9.565 0.696 -1.476 255 HD2 ARG 31 1HD ARG 31 12.333 0.463 -2.680 256 HD3 ARG 31 2HD ARG 31 11.335 -0.927 -2.256 257 HE ARG 31 HE ARG 31 9.775 0.781 -3.895 258 HH11 ARG 31 1HH2 ARG 31 12.620 -1.161 -3.984 259 HH12 ARG 31 2HH2 ARG 31 12.469 -1.543 -5.666 260 HH21 ARG 31 1HH1 ARG 31 9.558 0.294 -6.090 261 HH22 ARG 31 2HH1 ARG 31 10.732 -0.718 -6.860 262 H LYS 32 H LYS 32 11.659 4.711 0.589 263 HA LYS 32 HA LYS 32 10.725 7.276 -0.478 264 HB2 LYS 32 1HB LYS 32 11.407 7.021 1.891 265 HB3 LYS 32 2HB LYS 32 13.048 6.647 1.367 266 HG2 LYS 32 1HG LYS 32 13.250 8.849 0.324 267 HG3 LYS 32 2HG LYS 32 11.579 9.226 0.750 268 HD2 LYS 32 1HD LYS 32 12.132 9.003 3.141 269 HD3 LYS 32 2HD LYS 32 13.803 8.626 2.723 270 HE2 LYS 32 1HE LYS 32 13.823 10.943 3.228 271 HE3 LYS 32 2HE LYS 32 13.811 10.874 1.466 272 HZ1 LYS 32 3HZ LYS 32 12.192 12.461 2.386 273 HZ2 LYS 32 1HZ LYS 32 11.391 11.182 3.158 274 HZ3 LYS 32 2HZ LYS 32 11.455 11.241 1.461 275 H VAL 33 H VAL 33 11.770 8.512 -2.011 276 HA VAL 33 HA VAL 33 13.635 7.219 -3.784 277 HB VAL 33 HB VAL 33 12.805 10.125 -3.547 278 HG11 VAL 33 1HG1 VAL 33 14.364 8.613 -5.652 279 HG12 VAL 33 2HG1 VAL 33 14.833 10.086 -4.804 280 HG13 VAL 33 3HG1 VAL 33 13.537 10.133 -5.997 281 HG21 VAL 33 3HG2 VAL 33 11.876 8.002 -5.499 282 HG22 VAL 33 1HG2 VAL 33 11.186 9.606 -5.246 283 HG23 VAL 33 2HG2 VAL 33 11.022 8.369 -4.000 284 H GLY 34 H GLY 34 15.622 6.728 -2.872 285 HA2 GLY 34 1HA GLY 34 17.853 8.091 -2.797 286 HA3 GLY 34 2HA GLY 34 17.095 8.885 -1.418 287 H VAL 35 H VAL 35 15.755 6.188 -0.798 288 HA VAL 35 HA VAL 35 18.060 4.546 0.037 289 HB VAL 35 HB VAL 35 17.258 4.550 2.432 290 HG11 VAL 35 1HG1 VAL 35 18.144 7.270 1.437 291 HG12 VAL 35 2HG1 VAL 35 19.223 5.882 1.586 292 HG13 VAL 35 3HG1 VAL 35 18.452 6.559 3.021 293 HG21 VAL 35 3HG2 VAL 35 15.957 6.634 3.084 294 HG22 VAL 35 1HG2 VAL 35 15.030 5.425 2.198 295 HG23 VAL 35 2HG2 VAL 35 15.615 6.869 1.372 296 HA PRO 36 HA PRO 36 13.913 2.402 -0.733 297 HB2 PRO 36 1HB PRO 36 14.527 1.163 -3.096 298 HB3 PRO 36 2HB PRO 36 13.840 2.799 -3.020 299 HG2 PRO 36 1HG PRO 36 16.682 1.961 -3.410 300 HG3 PRO 36 2HG PRO 36 15.766 3.248 -4.217 301 HD2 PRO 36 1HD PRO 36 17.517 3.743 -2.164 302 HD3 PRO 36 2HD PRO 36 16.088 4.752 -2.480 303 H ASP 37 H ASP 37 17.220 1.625 -0.476 304 HA ASP 37 HA ASP 37 16.981 -1.271 -0.511 305 HB2 ASP 37 1HB ASP 37 19.113 0.089 -0.897 306 HB3 ASP 37 2HB ASP 37 19.144 0.350 0.848 307 H ARG 38 H ARG 38 15.833 1.010 1.616 308 HA ARG 38 HA ARG 38 16.449 -0.399 4.107 309 HB2 ARG 38 1HB ARG 38 14.444 1.804 3.520 310 HB3 ARG 38 2HB ARG 38 14.937 1.273 5.126 311 HG2 ARG 38 1HG ARG 38 16.980 2.232 3.117 312 HG3 ARG 38 2HG ARG 38 16.095 3.377 4.121 313 HD2 ARG 38 1HD ARG 38 17.812 1.086 5.134 314 HD3 ARG 38 2HD ARG 38 18.220 2.795 5.193 315 HE ARG 38 HE ARG 38 15.816 2.698 6.520 316 HH11 ARG 38 1HH2 ARG 38 18.784 0.955 6.700 317 HH12 ARG 38 2HH2 ARG 38 18.657 0.658 8.402 318 HH21 ARG 38 1HH1 ARG 38 15.632 2.323 8.732 319 HH22 ARG 38 2HH1 ARG 38 16.870 1.434 9.555 320 H THR 39 H THR 39 15.240 -1.981 5.035 321 HA THR 39 HA THR 39 13.504 -3.689 3.871 322 HB THR 39 HB THR 39 13.113 -2.616 6.676 323 HG1 THR 39 HG1 THR 39 14.991 -3.490 6.949 324 HG21 THR 39 3HG2 THR 39 12.242 -5.146 5.272 325 HG22 THR 39 1HG2 THR 39 11.228 -3.967 6.103 326 HG23 THR 39 2HG2 THR 39 12.307 -5.012 7.028 327 HA PRO 40 HA PRO 40 10.341 -0.567 2.578 328 HB2 PRO 40 1HB PRO 40 9.274 -3.006 1.208 329 HB3 PRO 40 2HB PRO 40 9.560 -1.382 0.554 330 HG2 PRO 40 1HG PRO 40 11.177 -3.427 -0.025 331 HG3 PRO 40 2HG PRO 40 11.802 -1.781 0.189 332 HD2 PRO 40 1HD PRO 40 11.977 -4.120 2.054 333 HD3 PRO 40 2HD PRO 40 13.137 -2.802 1.779 334 H ILE 41 H ILE 41 8.273 -0.183 3.408 335 HA ILE 41 HA ILE 41 7.184 -2.270 5.245 336 HB ILE 41 HB ILE 41 6.481 0.671 5.150 337 HG12 ILE 41 1HG1 ILE 41 8.853 0.547 5.610 338 HG13 ILE 41 2HG1 ILE 41 8.032 0.839 7.142 339 HG21 ILE 41 1HG2 ILE 41 5.677 0.236 7.437 340 HG22 ILE 41 2HG2 ILE 41 6.170 -1.451 7.294 341 HG23 ILE 41 3HG2 ILE 41 4.873 -0.822 6.279 342 HD11 ILE 41 3HD1 ILE 41 9.281 -1.711 6.132 343 HD12 ILE 41 1HD1 ILE 41 8.048 -1.752 7.392 344 HD13 ILE 41 2HD1 ILE 41 9.556 -0.881 7.662 345 HA PRO 42 HA PRO 42 3.914 -2.564 2.154 346 HB2 PRO 42 1HB PRO 42 2.240 -4.287 3.425 347 HB3 PRO 42 2HB PRO 42 3.790 -4.810 2.736 348 HG2 PRO 42 1HG PRO 42 3.107 -4.167 5.576 349 HG3 PRO 42 2HG PRO 42 4.073 -5.506 4.926 350 HD2 PRO 42 1HD PRO 42 5.198 -3.235 5.989 351 HD3 PRO 42 2HD PRO 42 5.988 -4.209 4.725 352 H THR 43 H THR 43 1.852 -1.643 1.795 353 HA THR 43 HA THR 43 0.628 -0.180 4.114 354 HB THR 43 HB THR 43 1.720 1.337 2.458 355 HG1 THR 43 HG1 THR 43 -0.865 1.338 3.252 356 HG21 THR 43 3HG2 THR 43 1.258 -0.224 0.505 357 HG22 THR 43 1HG2 THR 43 0.923 1.482 0.206 358 HG23 THR 43 2HG2 THR 43 -0.404 0.369 0.536 359 H THR 44 H THR 44 -1.479 -0.557 4.451 360 HA THR 44 HA THR 44 -3.120 -1.859 2.331 361 HB THR 44 HB THR 44 -4.007 -3.454 3.928 362 HG1 THR 44 HG1 THR 44 -2.198 -2.419 5.830 363 HG21 THR 44 3HG2 THR 44 -2.134 -4.860 4.171 364 HG22 THR 44 1HG2 THR 44 -1.034 -3.505 4.413 365 HG23 THR 44 2HG2 THR 44 -1.698 -3.829 2.811 366 H TYR 45 H TYR 45 -5.508 -1.741 2.964 367 HA TYR 45 HA TYR 45 -6.031 0.706 4.602 368 HB2 TYR 45 1HB TYR 45 -6.224 0.676 1.884 369 HB3 TYR 45 2HB TYR 45 -7.855 0.154 2.297 370 HD1 TYR 45 HD1 TYR 45 -5.320 2.664 3.459 371 HD2 TYR 45 HD2 TYR 45 -9.447 1.851 2.596 372 HE1 TYR 45 HE1 TYR 45 -5.896 5.002 4.037 373 HE2 TYR 45 HE2 TYR 45 -10.027 4.194 3.171 374 HH TYR 45 HH TYR 45 -9.270 6.106 4.071 375 HA PRO 46 HA PRO 46 -8.882 -1.759 7.011 376 HB2 PRO 46 1HB PRO 46 -10.812 0.488 6.477 377 HB3 PRO 46 2HB PRO 46 -10.409 -0.309 8.012 378 HG2 PRO 46 1HG PRO 46 -9.426 2.101 7.353 379 HG3 PRO 46 2HG PRO 46 -8.501 0.930 8.311 380 HD2 PRO 46 1HD PRO 46 -8.062 1.795 5.504 381 HD3 PRO 46 2HD PRO 46 -6.930 1.039 6.648 382 H GLU 47 H GLU 47 -9.831 -0.386 3.915 383 HA GLU 47 HA GLU 47 -12.261 -1.870 3.561 384 HB2 GLU 47 1HB GLU 47 -10.316 -0.671 1.573 385 HB3 GLU 47 2HB GLU 47 -11.867 -1.376 1.116 386 HG2 GLU 47 1HG GLU 47 -13.054 0.224 2.525 387 HG3 GLU 47 2HG GLU 47 -11.525 0.889 3.101 388 H PHE 48 H PHE 48 -12.511 -3.629 1.900 389 HA PHE 48 HA PHE 48 -10.146 -5.479 1.824 390 HB2 PHE 48 1HB PHE 48 -13.043 -6.288 2.199 391 HB3 PHE 48 2HB PHE 48 -11.639 -7.352 2.220 392 HD1 PHE 48 HD1 PHE 48 -9.850 -6.953 4.013 393 HD2 PHE 48 HD2 PHE 48 -13.770 -5.211 4.168 394 HE1 PHE 48 HE1 PHE 48 -9.564 -6.526 6.437 395 HE2 PHE 48 HE2 PHE 48 -13.487 -4.788 6.594 396 HZ PHE 48 HZ PHE 48 -11.384 -5.446 7.730 397 H TYR 49 H TYR 49 -9.980 -6.717 -0.107 398 HA TYR 49 HA TYR 49 -12.088 -6.414 -2.156 399 HB2 TYR 49 1HB TYR 49 -9.295 -5.300 -2.485 400 HB3 TYR 49 2HB TYR 49 -10.341 -5.670 -3.855 401 HD1 TYR 49 HD2 TYR 49 -12.655 -4.593 -3.949 402 HD2 TYR 49 HD1 TYR 49 -9.579 -3.281 -1.262 403 HE1 TYR 49 HE2 TYR 49 -13.843 -2.440 -3.636 404 HE2 TYR 49 HE1 TYR 49 -10.762 -1.134 -0.946 405 HH TYR 49 HH TYR 49 -12.565 0.058 -1.432 406 H ASP 50 H ASP 50 -12.388 -8.477 -2.659 407 HA ASP 50 HA ASP 50 -10.406 -10.530 -2.395 408 HB2 ASP 50 1HB ASP 50 -12.853 -10.946 -2.317 409 HB3 ASP 50 2HB ASP 50 -12.959 -10.537 -4.030 410 H LEU 51 H LEU 51 -11.430 -8.502 -5.100 411 HA LEU 51 HA LEU 51 -9.930 -10.050 -7.065 412 HB2 LEU 51 1HB LEU 51 -11.074 -7.253 -7.274 413 HB3 LEU 51 2HB LEU 51 -10.545 -8.263 -8.618 414 HG LEU 51 HG LEU 51 -12.801 -8.921 -6.698 415 HD11 LEU 51 1HD1 LEU 51 -12.757 -7.975 -9.575 416 HD12 LEU 51 2HD1 LEU 51 -13.461 -7.142 -8.189 417 HD13 LEU 51 3HD1 LEU 51 -14.190 -8.633 -8.787 418 HD21 LEU 51 3HD2 LEU 51 -11.995 -11.020 -7.384 419 HD22 LEU 51 1HD2 LEU 51 -11.494 -10.425 -8.966 420 HD23 LEU 51 2HD2 LEU 51 -13.204 -10.679 -8.617 421 H GLU 52 H GLU 52 -7.917 -9.684 -7.836 422 HA GLU 52 HA GLU 52 -6.069 -8.097 -6.282 423 HB2 GLU 52 1HB GLU 52 -4.409 -8.841 -7.920 424 HB3 GLU 52 2HB GLU 52 -5.444 -10.198 -7.475 425 HG2 GLU 52 1HG GLU 52 -6.849 -9.701 -9.507 426 HG3 GLU 52 2HG GLU 52 -5.644 -8.504 -9.983 427 H ALA 53 H ALA 53 -7.713 -7.680 -9.382 428 HA ALA 53 HA ALA 53 -6.296 -5.425 -10.341 429 HB1 ALA 53 3HB ALA 53 -7.931 -6.643 -11.710 430 HB2 ALA 53 1HB ALA 53 -8.364 -4.934 -11.630 431 HB3 ALA 53 2HB ALA 53 -9.235 -6.111 -10.648 432 H ASP 54 H ASP 54 -9.247 -5.531 -8.328 433 HA ASP 54 HA ASP 54 -9.422 -2.682 -8.009 434 HB2 ASP 54 1HB ASP 54 -10.568 -5.073 -6.578 435 HB3 ASP 54 2HB ASP 54 -10.754 -3.476 -5.858 436 H ALA 55 H ALA 55 -7.757 -5.222 -6.213 437 HA ALA 55 HA ALA 55 -6.994 -3.654 -3.950 438 HB1 ALA 55 3HB ALA 55 -6.808 -6.193 -4.266 439 HB2 ALA 55 1HB ALA 55 -5.435 -5.412 -3.483 440 HB3 ALA 55 2HB ALA 55 -5.337 -5.869 -5.179 441 H GLU 56 H GLU 56 -5.446 -4.160 -7.116 442 HA GLU 56 HA GLU 56 -3.045 -2.701 -6.527 443 HB2 GLU 56 1HB GLU 56 -4.467 -3.285 -9.136 444 HB3 GLU 56 2HB GLU 56 -2.886 -2.511 -9.043 445 HG2 GLU 56 1HG GLU 56 -1.953 -4.456 -7.912 446 HG3 GLU 56 2HG GLU 56 -3.541 -5.221 -7.853 447 H ARG 57 H ARG 57 -6.041 -1.702 -8.213 448 HA ARG 57 HA ARG 57 -5.254 1.015 -8.609 449 HB2 ARG 57 1HB ARG 57 -7.164 -0.091 -9.765 450 HB3 ARG 57 2HB ARG 57 -8.055 -0.090 -8.243 451 HG2 ARG 57 1HG ARG 57 -7.933 2.368 -8.163 452 HG3 ARG 57 2HG ARG 57 -7.026 2.376 -9.675 453 HD2 ARG 57 1HD ARG 57 -9.367 2.817 -10.170 454 HD3 ARG 57 2HD ARG 57 -8.948 1.217 -10.779 455 HE ARG 57 HE ARG 57 -9.968 0.966 -8.119 456 HH11 ARG 57 1HH2 ARG 57 -10.876 1.750 -11.350 457 HH12 ARG 57 2HH2 ARG 57 -12.505 1.188 -11.172 458 HH21 ARG 57 1HH1 ARG 57 -12.092 0.227 -7.866 459 HH22 ARG 57 2HH1 ARG 57 -13.194 0.326 -9.199 460 H VAL 58 H VAL 58 -7.108 -0.529 -5.999 461 HA VAL 58 HA VAL 58 -7.576 1.877 -4.518 462 HB VAL 58 HB VAL 58 -7.460 -1.021 -3.640 463 HG11 VAL 58 1HG1 VAL 58 -7.092 0.271 -1.664 464 HG12 VAL 58 2HG1 VAL 58 -8.816 -0.092 -1.676 465 HG13 VAL 58 3HG1 VAL 58 -8.248 1.503 -2.167 466 HG21 VAL 58 3HG2 VAL 58 -9.865 0.783 -3.994 467 HG22 VAL 58 1HG2 VAL 58 -9.833 -0.977 -3.872 468 HG23 VAL 58 2HG2 VAL 58 -9.223 -0.182 -5.323 469 H SER 59 H SER 59 -4.985 -0.557 -4.350 470 HA SER 59 HA SER 59 -3.647 0.428 -2.069 471 HB2 SER 59 1HB SER 59 -1.678 -0.685 -2.934 472 HB3 SER 59 2HB SER 59 -3.075 -1.677 -3.319 473 HG SER 59 HG SER 59 -1.750 -1.426 -5.138 474 H ILE 60 H ILE 60 -3.412 1.493 -5.458 475 HA ILE 60 HA ILE 60 -1.283 3.360 -5.033 476 HB ILE 60 HB ILE 60 -3.532 3.315 -7.065 477 HG12 ILE 60 1HG1 ILE 60 -0.599 2.624 -7.382 478 HG13 ILE 60 2HG1 ILE 60 -1.835 1.423 -7.005 479 HG21 ILE 60 1HG2 ILE 60 -1.895 4.823 -8.350 480 HG22 ILE 60 2HG2 ILE 60 -1.094 5.087 -6.801 481 HG23 ILE 60 3HG2 ILE 60 -2.776 5.573 -7.019 482 HD11 ILE 60 3HD1 ILE 60 -1.803 3.229 -9.438 483 HD12 ILE 60 1HD1 ILE 60 -3.073 2.070 -9.048 484 HD13 ILE 60 2HD1 ILE 60 -1.447 1.502 -9.427 485 H ALA 61 H ALA 61 -4.830 3.753 -4.977 486 HA ALA 61 HA ALA 61 -4.759 6.565 -4.347 487 HB1 ALA 61 3HB ALA 61 -6.879 4.433 -3.988 488 HB2 ALA 61 1HB ALA 61 -6.790 5.656 -5.254 489 HB3 ALA 61 2HB ALA 61 -7.151 6.130 -3.593 490 H CYS 62 H CYS 62 -5.261 3.672 -2.327 491 HA CYS 62 HA CYS 62 -5.436 5.059 0.160 492 HB2 CYS 62 1HB CYS 62 -4.518 2.240 -0.469 493 HB3 CYS 62 2HB CYS 62 -4.852 2.838 1.157 494 HG CYS 62 HG CYS 62 -7.334 3.438 -0.034 495 H ALA 63 H ALA 63 -2.686 3.868 -1.707 496 HA ALA 63 HA ALA 63 -0.687 4.144 0.292 497 HB1 ALA 63 3HB ALA 63 0.871 4.467 -1.679 498 HB2 ALA 63 1HB ALA 63 -0.554 4.462 -2.716 499 HB3 ALA 63 2HB ALA 63 -0.144 3.028 -1.775 500 H LYS 64 H LYS 64 -2.012 6.513 -2.018 501 HA LYS 64 HA LYS 64 -0.241 8.648 -1.314 502 HB2 LYS 64 1HB LYS 64 -3.089 8.683 -2.356 503 HB3 LYS 64 2HB LYS 64 -2.070 10.117 -2.227 504 HG2 LYS 64 1HG LYS 64 -0.398 9.066 -3.705 505 HG3 LYS 64 2HG LYS 64 -1.419 7.634 -3.840 506 HD2 LYS 64 1HD LYS 64 -3.202 8.970 -4.859 507 HD3 LYS 64 2HD LYS 64 -2.234 10.433 -4.675 508 HE2 LYS 64 1HE LYS 64 -2.015 9.603 -6.961 509 HE3 LYS 64 2HE LYS 64 -0.477 9.409 -6.119 510 HZ1 LYS 64 3HZ LYS 64 -2.409 7.207 -6.037 511 HZ2 LYS 64 1HZ LYS 64 -0.714 7.158 -6.003 512 HZ3 LYS 64 2HZ LYS 64 -1.525 7.451 -7.467 513 H ILE 65 H ILE 65 -3.438 7.715 -0.061 514 HA ILE 65 HA ILE 65 -3.597 9.843 1.872 515 HB ILE 65 HB ILE 65 -5.002 7.182 1.535 516 HG12 ILE 65 1HG1 ILE 65 -6.985 8.906 1.437 517 HG13 ILE 65 2HG1 ILE 65 -5.724 10.101 1.174 518 HG21 ILE 65 1HG2 ILE 65 -4.995 7.362 3.896 519 HG22 ILE 65 2HG2 ILE 65 -6.538 8.067 3.417 520 HG23 ILE 65 3HG2 ILE 65 -5.185 9.113 3.853 521 HD11 ILE 65 3HD1 ILE 65 -6.173 7.614 -0.498 522 HD12 ILE 65 1HD1 ILE 65 -4.914 8.815 -0.775 523 HD13 ILE 65 2HD1 ILE 65 -6.606 9.257 -0.965 524 H ILE 66 H ILE 66 -2.490 6.465 2.074 525 HA ILE 66 HA ILE 66 -1.947 6.453 4.874 526 HB ILE 66 HB ILE 66 -0.702 4.929 2.570 527 HG12 ILE 66 1HG1 ILE 66 -3.219 4.685 3.297 528 HG13 ILE 66 2HG1 ILE 66 -2.263 3.238 2.999 529 HG21 ILE 66 1HG2 ILE 66 -0.021 3.322 4.477 530 HG22 ILE 66 2HG2 ILE 66 -0.250 4.709 5.542 531 HG23 ILE 66 3HG2 ILE 66 0.943 4.780 4.246 532 HD11 ILE 66 3HD1 ILE 66 -2.410 4.390 5.781 533 HD12 ILE 66 1HD1 ILE 66 -2.078 2.732 5.280 534 HD13 ILE 66 2HD1 ILE 66 -3.714 3.378 5.171 535 H ILE 67 H ILE 67 0.147 7.258 2.095 536 HA ILE 67 HA ILE 67 2.490 7.796 3.657 537 HB ILE 67 HB ILE 67 1.584 8.807 0.950 538 HG12 ILE 67 1HG1 ILE 67 3.738 6.803 1.646 539 HG13 ILE 67 2HG1 ILE 67 2.064 6.328 1.354 540 HG21 ILE 67 1HG2 ILE 67 4.083 9.310 0.688 541 HG22 ILE 67 2HG2 ILE 67 4.188 9.185 2.445 542 HG23 ILE 67 3HG2 ILE 67 3.169 10.423 1.707 543 HD11 ILE 67 3HD1 ILE 67 2.126 7.172 -0.888 544 HD12 ILE 67 1HD1 ILE 67 3.587 6.209 -0.676 545 HD13 ILE 67 2HD1 ILE 67 3.675 7.969 -0.612 546 H ASP 68 H ASP 68 -0.104 9.929 2.455 547 HA ASP 68 HA ASP 68 0.997 12.338 3.572 548 HB2 ASP 68 1HB ASP 68 -0.714 12.344 1.793 549 HB3 ASP 68 2HB ASP 68 -1.882 11.645 2.915 550 H SER 69 H SER 69 -1.622 10.191 4.729 551 HA SER 69 HA SER 69 -2.035 11.562 7.194 552 HB2 SER 69 1HB SER 69 -2.463 8.635 6.535 553 HB3 SER 69 2HB SER 69 -3.126 9.467 7.938 554 HG SER 69 HG SER 69 -3.577 10.152 5.216 555 H HIS 70 H HIS 70 0.102 8.871 6.321 556 HA HIS 70 HA HIS 70 1.078 8.197 8.868 557 HB2 HIS 70 1HB HIS 70 1.728 6.877 6.966 558 HB3 HIS 70 2HB HIS 70 2.455 8.272 6.171 559 HD1 HIS 70 HD1 HIS 70 2.907 6.458 9.512 560 HD2 HIS 70 HD2 HIS 70 5.173 8.320 6.550 561 HE1 HIS 70 HE1 HIS 70 5.329 6.245 10.217 562 H LEU 71 H LEU 71 2.174 10.783 6.677 563 HA LEU 71 HA LEU 71 4.321 11.696 8.323 564 HB2 LEU 71 1HB LEU 71 2.573 13.138 6.313 565 HB3 LEU 71 2HB LEU 71 4.003 13.858 7.046 566 HG LEU 71 HG LEU 71 4.071 11.213 5.569 567 HD11 LEU 71 1HD1 LEU 71 3.310 12.900 3.998 568 HD12 LEU 71 2HD1 LEU 71 5.006 12.551 3.665 569 HD13 LEU 71 3HD1 LEU 71 4.561 14.019 4.535 570 HD21 LEU 71 3HD2 LEU 71 6.046 11.383 6.848 571 HD22 LEU 71 1HD2 LEU 71 6.140 13.130 6.658 572 HD23 LEU 71 2HD2 LEU 71 6.540 12.072 5.308 573 H ASP 72 H ASP 72 0.886 12.607 8.199 574 HA ASP 72 HA ASP 72 1.273 14.353 10.584 575 HB2 ASP 72 1HB ASP 72 -0.969 15.191 10.094 576 HB3 ASP 72 2HB ASP 72 0.027 15.263 8.641 577 H ARG 73 H ARG 73 1.079 11.230 10.395 578 HA ARG 73 HA ARG 73 -0.486 10.959 12.854 579 HB2 ARG 73 1HB ARG 73 -2.175 10.832 10.950 580 HB3 ARG 73 2HB ARG 73 -1.373 9.339 10.457 581 HG2 ARG 73 1HG ARG 73 -1.797 8.356 12.667 582 HG3 ARG 73 2HG ARG 73 -2.565 9.853 13.196 583 HD2 ARG 73 1HD ARG 73 -4.232 9.585 11.341 584 HD3 ARG 73 2HD ARG 73 -3.517 8.012 10.985 585 HE ARG 73 HE ARG 73 -4.185 8.085 13.752 586 HH11 ARG 73 1HH2 ARG 73 -5.598 8.106 10.613 587 HH12 ARG 73 2HH2 ARG 73 -7.057 7.318 11.114 588 HH21 ARG 73 1HH1 ARG 73 -6.080 7.053 14.432 589 HH22 ARG 73 2HH1 ARG 73 -7.330 6.721 13.281 590 H HIS 74 H HIS 74 0.582 9.521 14.090 591 HA HIS 74 HA HIS 74 2.212 7.933 14.684 592 HB2 HIS 74 1HB HIS 74 0.967 6.365 12.419 593 HB3 HIS 74 2HB HIS 74 1.728 5.729 13.877 594 HD1 HIS 74 HD1 HIS 74 0.359 7.782 15.862 595 HD2 HIS 74 HD2 HIS 74 -1.636 5.469 13.030 596 HE1 HIS 74 HE1 HIS 74 -2.035 7.581 16.662 597 H ASP 75 H ASP 75 4.172 8.885 14.077 598 HA ASP 75 HA ASP 75 5.134 8.704 11.314 599 HB2 ASP 75 1HB ASP 75 6.432 9.619 13.896 600 HB3 ASP 75 2HB ASP 75 7.246 9.652 12.332 601 H GLN 76 H GLN 76 4.911 6.568 13.861 602 HA GLN 76 HA GLN 76 7.440 5.216 13.736 603 HB2 GLN 76 1HB GLN 76 5.513 5.031 15.491 604 HB3 GLN 76 2HB GLN 76 4.845 3.824 14.395 605 HG2 GLN 76 1HG GLN 76 7.658 3.740 15.533 606 HG3 GLN 76 2HG GLN 76 6.292 2.821 16.164 607 HE21 GLN 76 2HE2 GLN 76 8.933 2.191 14.467 608 HE22 GLN 76 1HE2 GLN 76 8.348 1.094 13.313 609 H GLY 77 H GLY 77 4.434 4.899 11.922 610 HA2 GLY 77 1HA GLY 77 4.681 2.470 10.647 611 HA3 GLY 77 2HA GLY 77 4.060 3.897 9.825 612 H LEU 78 H LEU 78 5.380 4.951 8.325 613 HA LEU 78 HA LEU 78 7.541 3.376 7.214 614 HB2 LEU 78 1HB LEU 78 6.799 6.233 6.543 615 HB3 LEU 78 2HB LEU 78 7.658 5.086 5.518 616 HG LEU 78 HG LEU 78 4.801 4.787 6.495 617 HD11 LEU 78 1HD1 LEU 78 4.210 5.120 4.128 618 HD12 LEU 78 2HD1 LEU 78 5.912 5.362 3.732 619 HD13 LEU 78 3HD1 LEU 78 5.072 6.522 4.762 620 HD21 LEU 78 3HD2 LEU 78 4.902 2.916 4.669 621 HD22 LEU 78 1HD2 LEU 78 5.594 2.582 6.255 622 HD23 LEU 78 2HD2 LEU 78 6.647 3.005 4.904 623 H ALA 79 H ALA 79 8.079 4.170 9.923 624 HA ALA 79 HA ALA 79 9.882 6.400 10.047 625 HB1 ALA 79 3HB ALA 79 10.750 5.121 12.118 626 HB2 ALA 79 1HB ALA 79 9.485 3.947 11.760 627 HB3 ALA 79 2HB ALA 79 9.059 5.620 12.122 628 H ASP 80 H ASP 80 10.331 2.982 9.275 629 HA ASP 80 HA ASP 80 13.187 2.949 9.343 630 HB2 ASP 80 1HB ASP 80 11.071 1.309 7.957 631 HB3 ASP 80 2HB ASP 80 12.763 1.059 7.533 632 H LEU 81 H LEU 81 10.881 3.918 6.849 633 HA LEU 81 HA LEU 81 12.989 4.328 4.851 634 HB2 LEU 81 1HB LEU 81 10.128 5.320 4.779 635 HB3 LEU 81 2HB LEU 81 11.212 5.076 3.409 636 HG LEU 81 HG LEU 81 10.185 2.895 5.248 637 HD11 LEU 81 1HD1 LEU 81 8.863 2.183 3.320 638 HD12 LEU 81 2HD1 LEU 81 9.529 3.495 2.349 639 HD13 LEU 81 3HD1 LEU 81 8.474 3.857 3.712 640 HD21 LEU 81 3HD2 LEU 81 11.178 1.482 3.290 641 HD22 LEU 81 1HD2 LEU 81 12.288 2.146 4.484 642 HD23 LEU 81 2HD2 LEU 81 12.104 2.933 2.915 643 H GLY 82 H GLY 82 12.071 5.989 7.569 644 HA2 GLY 82 1HA GLY 82 13.635 8.296 6.913 645 HA3 GLY 82 2HA GLY 82 11.921 8.696 6.786 Start of MODEL 12 1 H1 MET 1 1H MET 1 8.941 0.327 -12.769 2 H2 MET 1 2H MET 1 10.462 -0.214 -13.297 3 H3 MET 1 3H MET 1 9.646 -1.039 -12.056 4 HA MET 1 HA MET 1 9.351 -1.258 -14.912 5 HB2 MET 1 1HB MET 1 8.522 -2.945 -12.529 6 HB3 MET 1 2HB MET 1 8.423 -3.464 -14.212 7 HG2 MET 1 1HG MET 1 10.482 -4.351 -13.456 8 HG3 MET 1 2HG MET 1 10.942 -2.895 -14.339 9 HE1 MET 1 3HE MET 1 11.790 -4.876 -11.461 10 HE2 MET 1 1HE MET 1 12.992 -3.733 -10.844 11 HE3 MET 1 2HE MET 1 12.951 -4.135 -12.559 12 H ASN 2 H ASN 2 7.165 -1.041 -12.107 13 HA ASN 2 HA ASN 2 5.100 0.171 -13.832 14 HB2 ASN 2 1HB ASN 2 4.798 -2.371 -13.855 15 HB3 ASN 2 2HB ASN 2 4.438 -2.247 -12.134 16 HD21 ASN 2 2HD2 ASN 2 2.172 -2.752 -12.289 17 HD22 ASN 2 1HD2 ASN 2 1.068 -1.744 -13.092 18 H VAL 3 H VAL 3 6.895 0.684 -11.377 19 HA VAL 3 HA VAL 3 4.968 1.051 -9.203 20 HB VAL 3 HB VAL 3 6.838 2.009 -7.962 21 HG11 VAL 3 1HG1 VAL 3 6.621 -0.491 -8.325 22 HG12 VAL 3 2HG1 VAL 3 8.242 0.067 -7.912 23 HG13 VAL 3 3HG1 VAL 3 7.847 -0.338 -9.582 24 HG21 VAL 3 3HG2 VAL 3 7.963 3.343 -9.597 25 HG22 VAL 3 1HG2 VAL 3 8.186 1.964 -10.675 26 HG23 VAL 3 2HG2 VAL 3 9.099 2.064 -9.170 27 H ALA 4 H ALA 4 4.413 3.114 -8.300 28 HA ALA 4 HA ALA 4 4.442 5.345 -10.303 29 HB1 ALA 4 3HB ALA 4 2.204 4.373 -9.756 30 HB2 ALA 4 1HB ALA 4 2.342 6.079 -9.322 31 HB3 ALA 4 2HB ALA 4 2.456 4.838 -8.075 32 H HIS 5 H HIS 5 5.197 7.299 -9.656 33 HA HIS 5 HA HIS 5 6.555 7.438 -7.036 34 HB2 HIS 5 1HB HIS 5 6.566 9.268 -9.447 35 HB3 HIS 5 2HB HIS 5 7.527 9.534 -7.993 36 HD1 HIS 5 HD1 HIS 5 9.180 9.147 -10.439 37 HD2 HIS 5 HD2 HIS 5 7.797 5.892 -8.231 38 HE1 HIS 5 HE1 HIS 5 10.701 7.201 -10.998 39 H TYR 6 H TYR 6 5.964 8.812 -5.404 40 HA TYR 6 HA TYR 6 3.894 10.868 -5.881 41 HB2 TYR 6 1HB TYR 6 2.672 8.746 -5.361 42 HB3 TYR 6 2HB TYR 6 3.509 8.690 -3.810 43 HD1 TYR 6 HD2 TYR 6 1.419 10.973 -5.921 44 HD2 TYR 6 HD1 TYR 6 2.573 9.796 -1.954 45 HE1 TYR 6 HE2 TYR 6 -0.269 12.520 -4.971 46 HE2 TYR 6 HE1 TYR 6 0.884 11.343 -1.004 47 HH TYR 6 HH TYR 6 -0.694 13.718 -2.881 48 H ARG 7 H ARG 7 4.574 12.634 -4.862 49 HA ARG 7 HA ARG 7 5.748 14.028 -3.412 50 HB2 ARG 7 1HB ARG 7 4.843 11.843 -1.524 51 HB3 ARG 7 2HB ARG 7 5.633 13.324 -0.977 52 HG2 ARG 7 1HG ARG 7 3.871 14.671 -2.062 53 HG3 ARG 7 2HG ARG 7 3.082 13.192 -2.613 54 HD2 ARG 7 1HD ARG 7 2.802 12.473 -0.271 55 HD3 ARG 7 2HD ARG 7 3.566 13.960 0.278 56 HE ARG 7 HE ARG 7 0.846 13.708 -0.811 57 HH11 ARG 7 1HH2 ARG 7 3.507 15.732 0.065 58 HH12 ARG 7 2HH2 ARG 7 2.538 17.158 0.207 59 HH21 ARG 7 1HH1 ARG 7 -0.419 15.557 -0.624 60 HH22 ARG 7 2HH1 ARG 7 0.317 17.061 -0.183 61 H GLY 8 H GLY 8 7.252 11.943 -4.847 62 HA2 GLY 8 1HA GLY 8 9.592 11.578 -4.968 63 HA3 GLY 8 2HA GLY 8 9.751 12.195 -3.324 64 H TYR 9 H TYR 9 7.260 10.034 -3.266 65 HA TYR 9 HA TYR 9 9.062 7.856 -2.288 66 HB2 TYR 9 1HB TYR 9 6.158 8.463 -1.702 67 HB3 TYR 9 2HB TYR 9 7.011 7.038 -1.111 68 HD1 TYR 9 HD1 TYR 9 6.811 10.729 -0.934 69 HD2 TYR 9 HD2 TYR 9 8.671 7.191 0.636 70 HE1 TYR 9 HE1 TYR 9 7.724 12.049 0.956 71 HE2 TYR 9 HE2 TYR 9 9.585 8.510 2.527 72 HH TYR 9 HH TYR 9 8.514 11.235 3.551 73 H GLU 10 H GLU 10 8.940 5.831 -3.140 74 HA GLU 10 HA GLU 10 7.501 5.535 -5.692 75 HB2 GLU 10 1HB GLU 10 9.452 3.767 -4.195 76 HB3 GLU 10 2HB GLU 10 8.729 3.326 -5.742 77 HG2 GLU 10 1HG GLU 10 9.676 5.335 -6.780 78 HG3 GLU 10 2HG GLU 10 10.358 5.832 -5.232 79 H ILE 11 H ILE 11 5.767 4.178 -6.003 80 HA ILE 11 HA ILE 11 4.719 2.715 -3.607 81 HB ILE 11 HB ILE 11 3.171 4.199 -5.746 82 HG12 ILE 11 1HG1 ILE 11 3.373 4.694 -2.758 83 HG13 ILE 11 2HG1 ILE 11 4.335 5.560 -3.954 84 HG21 ILE 11 1HG2 ILE 11 2.340 2.437 -3.431 85 HG22 ILE 11 2HG2 ILE 11 1.894 2.279 -5.129 86 HG23 ILE 11 3HG2 ILE 11 1.242 3.604 -4.166 87 HD11 ILE 11 3HD1 ILE 11 1.307 5.464 -3.966 88 HD12 ILE 11 1HD1 ILE 11 2.339 6.451 -5.003 89 HD13 ILE 11 2HD1 ILE 11 2.252 6.784 -3.273 90 H GLU 12 H GLU 12 4.375 0.607 -3.925 91 HA GLU 12 HA GLU 12 4.280 -0.435 -6.733 92 HB2 GLU 12 1HB GLU 12 5.260 -2.065 -4.403 93 HB3 GLU 12 2HB GLU 12 5.613 -2.256 -6.119 94 HG2 GLU 12 1HG GLU 12 6.800 -0.030 -6.034 95 HG3 GLU 12 2HG GLU 12 6.620 -0.076 -4.281 96 HA PRO 13 HA PRO 13 0.354 -1.665 -4.656 97 HB2 PRO 13 1HB PRO 13 -1.287 -1.368 -6.801 98 HB3 PRO 13 2HB PRO 13 -0.734 0.013 -5.832 99 HG2 PRO 13 1HG PRO 13 0.229 -0.940 -8.486 100 HG3 PRO 13 2HG PRO 13 0.022 0.715 -7.889 101 HD2 PRO 13 1HD PRO 13 2.452 -0.637 -7.993 102 HD3 PRO 13 2HD PRO 13 2.129 0.759 -6.944 103 H GLY 14 H GLY 14 -0.784 -3.630 -4.698 104 HA2 GLY 14 1HA GLY 14 -0.840 -5.438 -6.910 105 HA3 GLY 14 2HA GLY 14 0.482 -5.894 -5.835 106 H HIS 15 H HIS 15 -1.737 -7.564 -6.262 107 HA HIS 15 HA HIS 15 -3.484 -7.264 -3.890 108 HB2 HIS 15 1HB HIS 15 -4.773 -9.091 -4.852 109 HB3 HIS 15 2HB HIS 15 -4.452 -7.886 -6.096 110 HD1 HIS 15 HD1 HIS 15 -2.262 -8.464 -7.664 111 HD2 HIS 15 HD2 HIS 15 -3.974 -11.641 -5.575 112 HE1 HIS 15 HE1 HIS 15 -1.435 -10.585 -8.776 113 H GLN 16 H GLN 16 -3.029 -8.277 -2.033 114 HA GLN 16 HA GLN 16 -1.636 -10.883 -2.063 115 HB2 GLN 16 1HB GLN 16 0.193 -9.228 -1.934 116 HB3 GLN 16 2HB GLN 16 -0.576 -8.495 -0.524 117 HG2 GLN 16 1HG GLN 16 -0.314 -10.537 0.756 118 HG3 GLN 16 2HG GLN 16 0.277 -11.400 -0.663 119 HE21 GLN 16 2HE2 GLN 16 2.060 -11.563 1.306 120 HE22 GLN 16 1HE2 GLN 16 3.328 -10.448 1.142 121 H TYR 17 H TYR 17 -1.888 -12.028 -0.084 122 HA TYR 17 HA TYR 17 -4.120 -11.013 1.619 123 HB2 TYR 17 1HB TYR 17 -4.654 -13.325 2.079 124 HB3 TYR 17 2HB TYR 17 -4.499 -13.132 0.333 125 HD1 TYR 17 HD2 TYR 17 -2.506 -13.991 -0.864 126 HD2 TYR 17 HD1 TYR 17 -3.038 -14.597 3.356 127 HE1 TYR 17 HE2 TYR 17 -0.750 -15.745 -0.892 128 HE2 TYR 17 HE1 TYR 17 -1.284 -16.349 3.327 129 HH TYR 17 HH TYR 17 0.672 -16.968 1.930 130 H ARG 18 H ARG 18 -3.833 -10.800 3.773 131 HA ARG 18 HA ARG 18 -1.089 -11.238 4.823 132 HB2 ARG 18 1HB ARG 18 -3.465 -9.703 5.902 133 HB3 ARG 18 2HB ARG 18 -1.915 -9.837 6.733 134 HG2 ARG 18 1HG ARG 18 -0.774 -8.788 4.836 135 HG3 ARG 18 2HG ARG 18 -2.291 -8.720 3.937 136 HD2 ARG 18 1HD ARG 18 -1.861 -6.543 4.941 137 HD3 ARG 18 2HD ARG 18 -3.248 -7.281 5.738 138 HE ARG 18 HE ARG 18 -1.940 -7.527 7.713 139 HH11 ARG 18 1HH2 ARG 18 -0.071 -6.486 5.000 140 HH12 ARG 18 2HH2 ARG 18 1.307 -6.059 5.954 141 HH21 ARG 18 1HH1 ARG 18 -0.152 -6.972 8.959 142 HH22 ARG 18 2HH1 ARG 18 1.264 -6.333 8.193 143 H ASP 19 H ASP 19 -0.656 -12.661 6.445 144 HA ASP 19 HA ASP 19 -2.470 -14.831 6.961 145 HB2 ASP 19 1HB ASP 19 -0.019 -15.094 7.039 146 HB3 ASP 19 2HB ASP 19 0.055 -13.990 8.412 147 H ASP 20 H ASP 20 -1.876 -11.779 8.513 148 HA ASP 20 HA ASP 20 -2.840 -12.344 11.129 149 HB2 ASP 20 1HB ASP 20 -2.873 -9.829 9.462 150 HB3 ASP 20 2HB ASP 20 -3.408 -9.863 11.142 151 H ILE 21 H ILE 21 -4.586 -11.233 8.230 152 HA ILE 21 HA ILE 21 -7.167 -11.828 9.632 153 HB ILE 21 HB ILE 21 -8.155 -10.379 7.792 154 HG12 ILE 21 1HG1 ILE 21 -5.258 -9.574 7.392 155 HG13 ILE 21 2HG1 ILE 21 -6.136 -10.628 6.284 156 HG21 ILE 21 1HG2 ILE 21 -7.447 -8.279 8.881 157 HG22 ILE 21 2HG2 ILE 21 -6.084 -9.120 9.621 158 HG23 ILE 21 3HG2 ILE 21 -7.735 -9.542 10.078 159 HD11 ILE 21 3HD1 ILE 21 -7.741 -8.889 5.791 160 HD12 ILE 21 1HD1 ILE 21 -6.132 -8.190 5.613 161 HD13 ILE 21 2HD1 ILE 21 -7.083 -7.853 7.058 162 H ARG 22 H ARG 22 -5.007 -13.072 7.427 163 HA ARG 22 HA ARG 22 -5.157 -14.679 5.727 164 HB2 ARG 22 1HB ARG 22 -7.512 -15.473 7.473 165 HB3 ARG 22 2HB ARG 22 -6.840 -16.482 6.189 166 HG2 ARG 22 1HG ARG 22 -4.638 -16.446 7.310 167 HG3 ARG 22 2HG ARG 22 -5.311 -15.448 8.598 168 HD2 ARG 22 1HD ARG 22 -6.329 -18.208 7.865 169 HD3 ARG 22 2HD ARG 22 -5.219 -17.876 9.193 170 HE ARG 22 HE ARG 22 -8.086 -17.278 9.152 171 HH11 ARG 22 1HH2 ARG 22 -4.982 -16.653 10.538 172 HH12 ARG 22 2HH2 ARG 22 -5.629 -16.058 12.030 173 HH21 ARG 22 1HH1 ARG 22 -8.931 -16.509 11.085 174 HH22 ARG 22 2HH1 ARG 22 -7.863 -15.977 12.340 175 H LYS 23 H LYS 23 -6.280 -12.228 4.996 176 HA LYS 23 HA LYS 23 -8.291 -13.144 3.017 177 HB2 LYS 23 1HB LYS 23 -8.703 -10.892 4.984 178 HB3 LYS 23 2HB LYS 23 -9.597 -10.987 3.467 179 HG2 LYS 23 1HG LYS 23 -10.421 -13.225 4.082 180 HG3 LYS 23 2HG LYS 23 -9.521 -13.146 5.595 181 HD2 LYS 23 1HD LYS 23 -10.824 -11.173 6.279 182 HD3 LYS 23 2HD LYS 23 -11.717 -11.231 4.758 183 HE2 LYS 23 1HE LYS 23 -12.563 -13.472 5.329 184 HE3 LYS 23 2HE LYS 23 -11.667 -13.429 6.848 185 HZ1 LYS 23 3HZ LYS 23 -13.456 -12.472 7.715 186 HZ2 LYS 23 1HZ LYS 23 -14.178 -12.246 6.197 187 HZ3 LYS 23 2HZ LYS 23 -13.088 -11.089 6.799 188 H TYR 24 H TYR 24 -8.625 -11.477 1.303 189 HA TYR 24 HA TYR 24 -6.026 -10.371 0.517 190 HB2 TYR 24 1HB TYR 24 -8.711 -10.485 -0.866 191 HB3 TYR 24 2HB TYR 24 -7.251 -9.823 -1.602 192 HD1 TYR 24 HD2 TYR 24 -5.318 -11.278 -2.093 193 HD2 TYR 24 HD1 TYR 24 -8.991 -12.870 -0.537 194 HE1 TYR 24 HE2 TYR 24 -4.593 -13.562 -2.727 195 HE2 TYR 24 HE1 TYR 24 -8.267 -15.157 -1.171 196 HH TYR 24 HH TYR 24 -5.315 -16.065 -1.708 197 H VAL 25 H VAL 25 -5.440 -8.293 0.763 198 HA VAL 25 HA VAL 25 -7.527 -6.201 0.885 199 HB VAL 25 HB VAL 25 -6.609 -5.222 2.942 200 HG11 VAL 25 1HG1 VAL 25 -7.587 -6.762 4.461 201 HG12 VAL 25 2HG1 VAL 25 -7.163 -8.146 3.452 202 HG13 VAL 25 3HG1 VAL 25 -8.424 -7.026 2.932 203 HG21 VAL 25 3HG2 VAL 25 -4.305 -5.961 2.810 204 HG22 VAL 25 1HG2 VAL 25 -4.797 -7.654 2.877 205 HG23 VAL 25 2HG2 VAL 25 -5.003 -6.621 4.289 206 HA PRO 26 HA PRO 26 -4.803 -3.842 -1.691 207 HB2 PRO 26 1HB PRO 26 -4.981 -1.684 0.381 208 HB3 PRO 26 2HB PRO 26 -5.250 -1.590 -1.368 209 HG2 PRO 26 1HG PRO 26 -7.269 -1.665 0.460 210 HG3 PRO 26 2HG PRO 26 -7.422 -2.261 -1.201 211 HD2 PRO 26 1HD PRO 26 -7.376 -3.805 1.295 212 HD3 PRO 26 2HD PRO 26 -7.845 -4.321 -0.335 213 H TYR 27 H TYR 27 -2.750 -4.605 -1.658 214 HA TYR 27 HA TYR 27 -1.027 -4.032 0.728 215 HB2 TYR 27 1HB TYR 27 -1.389 -6.434 0.242 216 HB3 TYR 27 2HB TYR 27 -0.738 -6.191 -1.378 217 HD1 TYR 27 HD1 TYR 27 0.067 -6.058 2.242 218 HD2 TYR 27 HD2 TYR 27 1.621 -6.026 -1.762 219 HE1 TYR 27 HE1 TYR 27 2.362 -6.348 3.132 220 HE2 TYR 27 HE2 TYR 27 3.918 -6.314 -0.872 221 HH TYR 27 HH TYR 27 4.551 -6.299 2.618 222 H ALA 28 H ALA 28 0.405 -2.437 0.361 223 HA ALA 28 HA ALA 28 1.673 -2.251 -2.337 224 HB1 ALA 28 3HB ALA 28 -0.246 -0.391 -1.289 225 HB2 ALA 28 1HB ALA 28 0.643 -0.281 -2.806 226 HB3 ALA 28 2HB ALA 28 1.315 0.423 -1.337 227 H LEU 29 H LEU 29 3.790 -1.544 -2.291 228 HA LEU 29 HA LEU 29 5.042 -1.361 0.417 229 HB2 LEU 29 1HB LEU 29 6.188 -2.076 -2.290 230 HB3 LEU 29 2HB LEU 29 7.139 -1.958 -0.814 231 HG LEU 29 HG LEU 29 4.716 -3.757 -1.050 232 HD11 LEU 29 1HD1 LEU 29 6.397 -5.609 -1.353 233 HD12 LEU 29 2HD1 LEU 29 7.624 -4.373 -1.631 234 HD13 LEU 29 3HD1 LEU 29 6.259 -4.526 -2.737 235 HD21 LEU 29 3HD2 LEU 29 5.245 -3.487 1.233 236 HD22 LEU 29 1HD2 LEU 29 6.978 -3.422 0.927 237 HD23 LEU 29 2HD2 LEU 29 6.114 -4.954 0.808 238 H ILE 30 H ILE 30 5.993 0.506 1.004 239 HA ILE 30 HA ILE 30 6.291 2.656 -1.063 240 HB ILE 30 HB ILE 30 5.740 2.854 1.909 241 HG12 ILE 30 1HG1 ILE 30 4.073 3.770 -0.451 242 HG13 ILE 30 2HG1 ILE 30 3.854 2.201 0.324 243 HG21 ILE 30 1HG2 ILE 30 6.382 4.922 -0.201 244 HG22 ILE 30 2HG2 ILE 30 7.123 4.713 1.385 245 HG23 ILE 30 3HG2 ILE 30 5.479 5.338 1.255 246 HD11 ILE 30 3HD1 ILE 30 2.334 4.054 1.173 247 HD12 ILE 30 1HD1 ILE 30 3.775 4.808 1.853 248 HD13 ILE 30 2HD1 ILE 30 3.267 3.216 2.413 249 H ARG 31 H ARG 31 8.318 3.324 -1.442 250 HA ARG 31 HA ARG 31 10.401 2.946 0.674 251 HB2 ARG 31 1HB ARG 31 10.622 2.199 -2.254 252 HB3 ARG 31 2HB ARG 31 11.994 2.288 -1.151 253 HG2 ARG 31 1HG ARG 31 10.932 0.601 0.308 254 HG3 ARG 31 2HG ARG 31 9.565 0.507 -0.801 255 HD2 ARG 31 1HD ARG 31 12.425 -0.064 -1.624 256 HD3 ARG 31 2HD ARG 31 11.286 -1.314 -1.124 257 HE ARG 31 HE ARG 31 10.045 0.199 -3.170 258 HH11 ARG 31 1HH2 ARG 31 12.752 -1.887 -2.674 259 HH12 ARG 31 2HH2 ARG 31 12.729 -2.510 -4.289 260 HH21 ARG 31 1HH1 ARG 31 10.007 -0.607 -5.272 261 HH22 ARG 31 2HH1 ARG 31 11.177 -1.788 -5.758 262 H LYS 32 H LYS 32 11.670 4.703 0.938 263 HA LYS 32 HA LYS 32 11.079 7.106 -0.621 264 HB2 LYS 32 1HB LYS 32 11.430 7.168 1.845 265 HB3 LYS 32 2HB LYS 32 13.110 6.693 1.589 266 HG2 LYS 32 1HG LYS 32 13.512 8.708 0.264 267 HG3 LYS 32 2HG LYS 32 11.818 9.173 0.412 268 HD2 LYS 32 1HD LYS 32 12.078 9.326 2.867 269 HD3 LYS 32 2HD LYS 32 13.778 8.882 2.711 270 HE2 LYS 32 1HE LYS 32 13.599 11.311 2.882 271 HE3 LYS 32 2HE LYS 32 14.126 10.882 1.255 272 HZ1 LYS 32 3HZ LYS 32 11.815 12.287 2.044 273 HZ2 LYS 32 1HZ LYS 32 11.350 10.867 1.242 274 HZ3 LYS 32 2HZ LYS 32 12.385 11.974 0.475 275 H VAL 33 H VAL 33 12.361 8.045 -2.127 276 HA VAL 33 HA VAL 33 14.377 6.477 -3.442 277 HB VAL 33 HB VAL 33 13.627 9.397 -3.699 278 HG11 VAL 33 1HG1 VAL 33 15.832 9.219 -4.586 279 HG12 VAL 33 2HG1 VAL 33 14.761 9.088 -5.981 280 HG13 VAL 33 3HG1 VAL 33 15.498 7.639 -5.296 281 HG21 VAL 33 3HG2 VAL 33 12.976 7.001 -5.439 282 HG22 VAL 33 1HG2 VAL 33 12.375 8.646 -5.648 283 HG23 VAL 33 2HG2 VAL 33 11.873 7.694 -4.251 284 H GLY 34 H GLY 34 16.540 6.452 -3.172 285 HA2 GLY 34 1HA GLY 34 18.672 7.506 -2.665 286 HA3 GLY 34 2HA GLY 34 17.844 8.579 -1.534 287 H VAL 35 H VAL 35 16.252 6.137 -0.575 288 HA VAL 35 HA VAL 35 18.323 4.492 0.711 289 HB VAL 35 HB VAL 35 17.473 5.061 3.017 290 HG11 VAL 35 1HG1 VAL 35 18.561 7.511 1.617 291 HG12 VAL 35 2HG1 VAL 35 19.550 6.076 1.896 292 HG13 VAL 35 3HG1 VAL 35 18.878 6.964 3.262 293 HG21 VAL 35 3HG2 VAL 35 16.282 7.493 1.652 294 HG22 VAL 35 1HG2 VAL 35 16.144 7.039 3.351 295 HG23 VAL 35 2HG2 VAL 35 15.317 6.093 2.115 296 HA PRO 36 HA PRO 36 13.997 2.648 0.136 297 HB2 PRO 36 1HB PRO 36 14.570 0.924 -1.911 298 HB3 PRO 36 2HB PRO 36 14.053 2.599 -2.194 299 HG2 PRO 36 1HG PRO 36 16.807 1.442 -2.235 300 HG3 PRO 36 2HG PRO 36 16.066 2.612 -3.338 301 HD2 PRO 36 1HD PRO 36 17.766 3.362 -1.324 302 HD3 PRO 36 2HD PRO 36 16.450 4.406 -1.907 303 H ASP 37 H ASP 37 17.219 1.637 0.652 304 HA ASP 37 HA ASP 37 16.549 -1.152 1.313 305 HB2 ASP 37 1HB ASP 37 19.098 0.469 1.451 306 HB3 ASP 37 2HB ASP 37 18.998 -1.197 2.018 307 H ARG 38 H ARG 38 15.121 0.772 2.860 308 HA ARG 38 HA ARG 38 16.378 0.462 5.563 309 HB2 ARG 38 1HB ARG 38 14.421 2.523 4.520 310 HB3 ARG 38 2HB ARG 38 14.878 2.379 6.216 311 HG2 ARG 38 1HG ARG 38 16.996 2.658 4.080 312 HG3 ARG 38 2HG ARG 38 16.175 4.081 4.714 313 HD2 ARG 38 1HD ARG 38 16.833 3.378 7.024 314 HD3 ARG 38 2HD ARG 38 17.752 2.051 6.323 315 HE ARG 38 HE ARG 38 18.445 4.724 5.327 316 HH11 ARG 38 1HH2 ARG 38 19.053 2.113 7.508 317 HH12 ARG 38 2HH2 ARG 38 20.685 2.593 7.827 318 HH21 ARG 38 1HH1 ARG 38 20.561 5.356 5.742 319 HH22 ARG 38 2HH1 ARG 38 21.536 4.428 6.831 320 H THR 39 H THR 39 15.248 -1.767 4.785 321 HA THR 39 HA THR 39 13.472 -3.275 5.101 322 HB THR 39 HB THR 39 13.130 -1.676 7.649 323 HG1 THR 39 HG1 THR 39 14.709 -3.886 7.719 324 HG21 THR 39 3HG2 THR 39 12.636 -4.566 6.888 325 HG22 THR 39 1HG2 THR 39 11.416 -3.367 7.317 326 HG23 THR 39 2HG2 THR 39 12.551 -3.947 8.537 327 HA PRO 40 HA PRO 40 10.335 -0.257 3.470 328 HB2 PRO 40 1HB PRO 40 9.616 -2.773 2.017 329 HB3 PRO 40 2HB PRO 40 9.784 -1.117 1.395 330 HG2 PRO 40 1HG PRO 40 11.656 -2.931 0.917 331 HG3 PRO 40 2HG PRO 40 12.091 -1.253 1.285 332 HD2 PRO 40 1HD PRO 40 12.234 -3.665 3.069 333 HD3 PRO 40 2HD PRO 40 13.355 -2.291 2.942 334 H ILE 41 H ILE 41 8.218 -0.024 4.088 335 HA ILE 41 HA ILE 41 7.042 -2.255 5.686 336 HB ILE 41 HB ILE 41 6.411 0.678 6.007 337 HG12 ILE 41 1HG1 ILE 41 7.922 0.144 8.172 338 HG13 ILE 41 2HG1 ILE 41 8.674 -0.998 7.063 339 HG21 ILE 41 1HG2 ILE 41 5.557 -0.099 8.195 340 HG22 ILE 41 2HG2 ILE 41 6.032 -1.750 7.800 341 HG23 ILE 41 3HG2 ILE 41 4.755 -0.956 6.878 342 HD11 ILE 41 3HD1 ILE 41 8.630 1.166 5.458 343 HD12 ILE 41 1HD1 ILE 41 9.953 0.845 6.577 344 HD13 ILE 41 2HD1 ILE 41 8.680 1.975 7.021 345 HA PRO 42 HA PRO 42 3.914 -2.065 2.475 346 HB2 PRO 42 1HB PRO 42 2.182 -3.900 3.480 347 HB3 PRO 42 2HB PRO 42 3.760 -4.357 2.807 348 HG2 PRO 42 1HG PRO 42 2.966 -4.002 5.666 349 HG3 PRO 42 2HG PRO 42 3.921 -5.296 4.920 350 HD2 PRO 42 1HD PRO 42 5.061 -3.192 6.241 351 HD3 PRO 42 2HD PRO 42 5.861 -4.030 4.893 352 H THR 43 H THR 43 1.890 -1.105 2.140 353 HA THR 43 HA THR 43 0.688 0.246 4.524 354 HB THR 43 HB THR 43 1.435 1.938 3.068 355 HG1 THR 43 HG1 THR 43 -0.443 2.875 2.521 356 HG21 THR 43 3HG2 THR 43 2.076 0.859 1.087 357 HG22 THR 43 1HG2 THR 43 0.683 1.810 0.575 358 HG23 THR 43 2HG2 THR 43 0.503 0.083 0.887 359 H THR 44 H THR 44 -1.378 -0.199 5.012 360 HA THR 44 HA THR 44 -3.073 -1.623 3.007 361 HB THR 44 HB THR 44 -3.669 -3.317 4.515 362 HG1 THR 44 HG1 THR 44 -2.681 -2.905 6.798 363 HG21 THR 44 3HG2 THR 44 -0.799 -2.686 5.244 364 HG22 THR 44 1HG2 THR 44 -1.301 -3.505 3.764 365 HG23 THR 44 2HG2 THR 44 -1.583 -4.262 5.331 366 H TYR 45 H TYR 45 -5.378 -1.522 3.560 367 HA TYR 45 HA TYR 45 -6.109 0.640 5.451 368 HB2 TYR 45 1HB TYR 45 -5.803 1.468 2.993 369 HB3 TYR 45 2HB TYR 45 -7.317 0.616 2.683 370 HD1 TYR 45 HD1 TYR 45 -5.830 2.949 5.226 371 HD2 TYR 45 HD2 TYR 45 -9.307 1.836 2.964 372 HE1 TYR 45 HE1 TYR 45 -7.075 4.853 6.204 373 HE2 TYR 45 HE2 TYR 45 -10.554 3.742 3.945 374 HH TYR 45 HH TYR 45 -10.084 5.159 6.435 375 HA PRO 46 HA PRO 46 -9.210 -2.390 6.655 376 HB2 PRO 46 1HB PRO 46 -10.978 0.035 6.818 377 HB3 PRO 46 2HB PRO 46 -10.733 -1.261 8.006 378 HG2 PRO 46 1HG PRO 46 -9.581 1.153 8.270 379 HG3 PRO 46 2HG PRO 46 -8.791 -0.340 8.812 380 HD2 PRO 46 1HD PRO 46 -8.115 1.390 6.493 381 HD3 PRO 46 2HD PRO 46 -7.101 0.238 7.383 382 H GLU 47 H GLU 47 -9.152 -3.065 4.303 383 HA GLU 47 HA GLU 47 -11.829 -2.720 3.104 384 HB2 GLU 47 1HB GLU 47 -9.230 -2.014 1.718 385 HB3 GLU 47 2HB GLU 47 -10.703 -2.374 0.827 386 HG2 GLU 47 1HG GLU 47 -10.426 -0.193 2.917 387 HG3 GLU 47 2HG GLU 47 -10.401 0.065 1.174 388 H PHE 48 H PHE 48 -12.412 -4.470 1.778 389 HA PHE 48 HA PHE 48 -10.459 -6.742 1.670 390 HB2 PHE 48 1HB PHE 48 -13.438 -6.961 2.192 391 HB3 PHE 48 2HB PHE 48 -12.288 -8.293 2.128 392 HD1 PHE 48 HD1 PHE 48 -10.395 -8.366 3.830 393 HD2 PHE 48 HD2 PHE 48 -13.748 -5.705 4.190 394 HE1 PHE 48 HE1 PHE 48 -9.890 -8.056 6.238 395 HE2 PHE 48 HE2 PHE 48 -13.241 -5.393 6.598 396 HZ PHE 48 HZ PHE 48 -11.313 -6.568 7.622 397 H TYR 49 H TYR 49 -10.052 -7.222 -0.402 398 HA TYR 49 HA TYR 49 -12.294 -7.204 -2.360 399 HB2 TYR 49 1HB TYR 49 -9.645 -5.778 -2.683 400 HB3 TYR 49 2HB TYR 49 -10.682 -6.189 -4.049 401 HD1 TYR 49 HD2 TYR 49 -13.263 -5.549 -3.677 402 HD2 TYR 49 HD1 TYR 49 -9.932 -3.664 -1.723 403 HE1 TYR 49 HE2 TYR 49 -14.654 -3.550 -3.238 404 HE2 TYR 49 HE1 TYR 49 -11.325 -1.658 -1.296 405 HH TYR 49 HH TYR 49 -13.479 -0.899 -1.240 406 H ASP 50 H ASP 50 -12.273 -8.989 -3.592 407 HA ASP 50 HA ASP 50 -9.995 -10.867 -3.368 408 HB2 ASP 50 1HB ASP 50 -12.782 -11.094 -4.535 409 HB3 ASP 50 2HB ASP 50 -11.585 -12.387 -4.645 410 H LEU 51 H LEU 51 -11.507 -8.672 -5.596 411 HA LEU 51 HA LEU 51 -10.272 -9.757 -7.994 412 HB2 LEU 51 1HB LEU 51 -11.455 -7.011 -7.505 413 HB3 LEU 51 2HB LEU 51 -11.111 -7.726 -9.080 414 HG LEU 51 HG LEU 51 -13.055 -8.841 -7.033 415 HD11 LEU 51 1HD1 LEU 51 -14.806 -8.075 -8.498 416 HD12 LEU 51 2HD1 LEU 51 -13.641 -7.586 -9.728 417 HD13 LEU 51 3HD1 LEU 51 -13.739 -6.702 -8.204 418 HD21 LEU 51 3HD2 LEU 51 -12.340 -10.721 -8.241 419 HD22 LEU 51 1HD2 LEU 51 -12.065 -9.795 -9.718 420 HD23 LEU 51 2HD2 LEU 51 -13.709 -10.184 -9.210 421 H GLU 52 H GLU 52 -8.439 -9.048 -9.040 422 HA GLU 52 HA GLU 52 -6.377 -7.853 -7.406 423 HB2 GLU 52 1HB GLU 52 -5.915 -9.551 -9.162 424 HB3 GLU 52 2HB GLU 52 -6.412 -8.381 -10.385 425 HG2 GLU 52 1HG GLU 52 -4.620 -6.862 -9.718 426 HG3 GLU 52 2HG GLU 52 -4.147 -7.952 -8.417 427 H ALA 53 H ALA 53 -8.346 -6.721 -10.129 428 HA ALA 53 HA ALA 53 -7.057 -4.226 -10.546 429 HB1 ALA 53 3HB ALA 53 -10.033 -4.675 -10.779 430 HB2 ALA 53 1HB ALA 53 -8.891 -5.315 -11.958 431 HB3 ALA 53 2HB ALA 53 -9.033 -3.572 -11.722 432 H ASP 54 H ASP 54 -9.756 -5.070 -8.385 433 HA ASP 54 HA ASP 54 -10.156 -2.431 -7.343 434 HB2 ASP 54 1HB ASP 54 -10.726 -5.179 -6.223 435 HB3 ASP 54 2HB ASP 54 -11.188 -3.698 -5.384 436 H ALA 55 H ALA 55 -8.138 -5.142 -6.240 437 HA ALA 55 HA ALA 55 -7.191 -3.869 -3.850 438 HB1 ALA 55 3HB ALA 55 -6.052 -6.056 -5.598 439 HB2 ALA 55 1HB ALA 55 -6.896 -6.242 -4.061 440 HB3 ALA 55 2HB ALA 55 -5.278 -5.540 -4.101 441 H GLU 56 H GLU 56 -5.876 -4.040 -7.150 442 HA GLU 56 HA GLU 56 -3.489 -2.530 -6.582 443 HB2 GLU 56 1HB GLU 56 -5.013 -3.035 -9.147 444 HB3 GLU 56 2HB GLU 56 -3.459 -2.199 -9.091 445 HG2 GLU 56 1HG GLU 56 -2.423 -4.172 -8.058 446 HG3 GLU 56 2HG GLU 56 -3.978 -5.005 -8.061 447 H ARG 57 H ARG 57 -6.661 -1.620 -7.904 448 HA ARG 57 HA ARG 57 -6.064 1.149 -8.304 449 HB2 ARG 57 1HB ARG 57 -8.047 -0.038 -9.257 450 HB3 ARG 57 2HB ARG 57 -8.734 -0.120 -7.636 451 HG2 ARG 57 1HG ARG 57 -8.692 2.354 -7.499 452 HG3 ARG 57 2HG ARG 57 -8.042 2.424 -9.136 453 HD2 ARG 57 1HD ARG 57 -10.690 1.141 -8.402 454 HD3 ARG 57 2HD ARG 57 -10.517 2.772 -9.050 455 HE ARG 57 HE ARG 57 -10.233 0.282 -10.560 456 HH11 ARG 57 1HH2 ARG 57 -9.527 3.659 -10.328 457 HH12 ARG 57 2HH2 ARG 57 -9.284 3.851 -12.032 458 HH21 ARG 57 1HH1 ARG 57 -9.922 0.529 -12.771 459 HH22 ARG 57 2HH1 ARG 57 -9.507 2.082 -13.413 460 H VAL 58 H VAL 58 -7.546 -0.570 -5.575 461 HA VAL 58 HA VAL 58 -7.904 1.769 -3.936 462 HB VAL 58 HB VAL 58 -7.716 -1.172 -3.247 463 HG11 VAL 58 1HG1 VAL 58 -8.408 1.235 -1.538 464 HG12 VAL 58 2HG1 VAL 58 -7.154 0.032 -1.241 465 HG13 VAL 58 3HG1 VAL 58 -8.854 -0.414 -1.099 466 HG21 VAL 58 3HG2 VAL 58 -9.639 -0.204 -4.696 467 HG22 VAL 58 1HG2 VAL 58 -10.164 0.601 -3.216 468 HG23 VAL 58 2HG2 VAL 58 -10.081 -1.159 -3.284 469 H SER 59 H SER 59 -5.346 -0.681 -4.148 470 HA SER 59 HA SER 59 -3.775 0.121 -1.950 471 HB2 SER 59 1HB SER 59 -1.867 -0.860 -3.198 472 HB3 SER 59 2HB SER 59 -3.292 -1.895 -3.278 473 HG SER 59 HG SER 59 -3.682 -1.177 -5.333 474 H ILE 60 H ILE 60 -3.822 1.428 -5.259 475 HA ILE 60 HA ILE 60 -1.671 3.294 -4.855 476 HB ILE 60 HB ILE 60 -4.029 3.323 -6.760 477 HG12 ILE 60 1HG1 ILE 60 -1.107 2.714 -7.287 478 HG13 ILE 60 2HG1 ILE 60 -2.298 1.466 -6.920 479 HG21 ILE 60 1HG2 ILE 60 -1.621 5.135 -6.518 480 HG22 ILE 60 2HG2 ILE 60 -3.320 5.588 -6.636 481 HG23 ILE 60 3HG2 ILE 60 -2.482 4.935 -8.044 482 HD11 ILE 60 3HD1 ILE 60 -2.474 3.431 -9.227 483 HD12 ILE 60 1HD1 ILE 60 -3.641 2.158 -8.865 484 HD13 ILE 60 2HD1 ILE 60 -2.002 1.737 -9.362 485 H ALA 61 H ALA 61 -5.207 3.600 -4.554 486 HA ALA 61 HA ALA 61 -5.201 6.375 -3.812 487 HB1 ALA 61 3HB ALA 61 -7.207 4.215 -3.105 488 HB2 ALA 61 1HB ALA 61 -7.227 5.159 -4.593 489 HB3 ALA 61 2HB ALA 61 -7.500 5.953 -3.040 490 H CYS 62 H CYS 62 -5.109 3.378 -1.924 491 HA CYS 62 HA CYS 62 -5.240 4.643 0.655 492 HB2 CYS 62 1HB CYS 62 -4.079 1.980 -0.194 493 HB3 CYS 62 2HB CYS 62 -4.317 2.469 1.481 494 HG CYS 62 HG CYS 62 -6.915 2.577 0.983 495 H ALA 63 H ALA 63 -2.514 3.488 -1.316 496 HA ALA 63 HA ALA 63 -0.385 4.038 0.402 497 HB1 ALA 63 3HB ALA 63 0.016 3.029 -1.764 498 HB2 ALA 63 1HB ALA 63 0.928 4.539 -1.699 499 HB3 ALA 63 2HB ALA 63 -0.592 4.463 -2.588 500 H LYS 64 H LYS 64 -2.094 6.313 -1.734 501 HA LYS 64 HA LYS 64 -0.488 8.599 -1.102 502 HB2 LYS 64 1HB LYS 64 -3.375 8.368 -1.981 503 HB3 LYS 64 2HB LYS 64 -2.500 9.896 -1.884 504 HG2 LYS 64 1HG LYS 64 -0.827 9.041 -3.485 505 HG3 LYS 64 2HG LYS 64 -1.700 7.512 -3.580 506 HD2 LYS 64 1HD LYS 64 -3.686 8.692 -4.449 507 HD3 LYS 64 2HD LYS 64 -2.818 10.225 -4.352 508 HE2 LYS 64 1HE LYS 64 -1.135 9.388 -5.944 509 HE3 LYS 64 2HE LYS 64 -1.980 7.844 -6.033 510 HZ1 LYS 64 3HZ LYS 64 -3.866 9.821 -6.505 511 HZ2 LYS 64 1HZ LYS 64 -3.235 8.710 -7.619 512 HZ3 LYS 64 2HZ LYS 64 -2.506 10.234 -7.438 513 H ILE 65 H ILE 65 -3.468 7.317 0.353 514 HA ILE 65 HA ILE 65 -3.824 9.436 2.255 515 HB ILE 65 HB ILE 65 -4.684 6.533 2.297 516 HG12 ILE 65 1HG1 ILE 65 -6.306 9.040 1.782 517 HG13 ILE 65 2HG1 ILE 65 -5.568 8.090 0.492 518 HG21 ILE 65 1HG2 ILE 65 -5.291 8.828 4.169 519 HG22 ILE 65 2HG2 ILE 65 -4.751 7.200 4.574 520 HG23 ILE 65 3HG2 ILE 65 -6.394 7.462 3.991 521 HD11 ILE 65 3HD1 ILE 65 -8.037 7.578 1.134 522 HD12 ILE 65 1HD1 ILE 65 -7.347 6.770 2.541 523 HD13 ILE 65 2HD1 ILE 65 -6.936 6.220 0.917 524 H ILE 66 H ILE 66 -2.201 6.284 2.494 525 HA ILE 66 HA ILE 66 -1.426 6.569 5.241 526 HB ILE 66 HB ILE 66 -0.498 4.846 2.955 527 HG12 ILE 66 1HG1 ILE 66 -1.244 3.066 4.712 528 HG13 ILE 66 2HG1 ILE 66 -2.027 4.417 5.529 529 HG21 ILE 66 1HG2 ILE 66 0.784 5.114 5.675 530 HG22 ILE 66 2HG2 ILE 66 1.557 5.114 4.089 531 HG23 ILE 66 3HG2 ILE 66 0.890 3.620 4.744 532 HD11 ILE 66 3HD1 ILE 66 -3.293 4.918 3.466 533 HD12 ILE 66 1HD1 ILE 66 -3.585 3.266 4.004 534 HD13 ILE 66 2HD1 ILE 66 -2.492 3.571 2.657 535 H ILE 67 H ILE 67 0.276 7.285 2.202 536 HA ILE 67 HA ILE 67 2.704 8.167 3.450 537 HB ILE 67 HB ILE 67 1.441 8.828 0.779 538 HG12 ILE 67 1HG1 ILE 67 3.848 7.107 1.412 539 HG13 ILE 67 2HG1 ILE 67 2.209 6.458 1.313 540 HG21 ILE 67 1HG2 ILE 67 3.857 9.529 0.221 541 HG22 ILE 67 2HG2 ILE 67 4.100 9.632 1.965 542 HG23 ILE 67 3HG2 ILE 67 2.897 10.653 1.181 543 HD11 ILE 67 3HD1 ILE 67 2.017 7.318 -1.000 544 HD12 ILE 67 1HD1 ILE 67 3.368 6.196 -0.840 545 HD13 ILE 67 2HD1 ILE 67 3.667 7.933 -0.901 546 H ASP 68 H ASP 68 -0.204 9.907 2.384 547 HA ASP 68 HA ASP 68 0.713 12.523 3.129 548 HB2 ASP 68 1HB ASP 68 -1.194 12.137 1.598 549 HB3 ASP 68 2HB ASP 68 -2.114 11.453 2.936 550 H SER 69 H SER 69 -1.246 10.102 4.836 551 HA SER 69 HA SER 69 -1.684 11.684 7.189 552 HB2 SER 69 1HB SER 69 -3.029 9.683 6.662 553 HB3 SER 69 2HB SER 69 -1.607 8.670 6.891 554 HG SER 69 HG SER 69 -1.671 9.039 9.017 555 H HIS 70 H HIS 70 0.841 9.352 6.312 556 HA HIS 70 HA HIS 70 2.155 9.231 8.827 557 HB2 HIS 70 1HB HIS 70 2.703 7.733 6.931 558 HB3 HIS 70 2HB HIS 70 3.395 9.105 6.065 559 HD1 HIS 70 HD1 HIS 70 3.905 7.122 9.266 560 HD2 HIS 70 HD2 HIS 70 6.035 9.685 6.760 561 HE1 HIS 70 HE1 HIS 70 6.288 7.141 10.118 562 H LEU 71 H LEU 71 2.544 11.491 6.122 563 HA LEU 71 HA LEU 71 4.730 12.977 7.212 564 HB2 LEU 71 1HB LEU 71 2.498 13.763 5.330 565 HB3 LEU 71 2HB LEU 71 3.867 14.812 5.691 566 HG LEU 71 HG LEU 71 4.178 11.986 4.643 567 HD11 LEU 71 1HD1 LEU 71 2.914 13.342 3.011 568 HD12 LEU 71 2HD1 LEU 71 4.537 12.988 2.422 569 HD13 LEU 71 3HD1 LEU 71 4.166 14.584 3.074 570 HD21 LEU 71 3HD2 LEU 71 6.254 12.635 5.540 571 HD22 LEU 71 1HD2 LEU 71 6.027 14.329 5.103 572 HD23 LEU 71 2HD2 LEU 71 6.414 13.138 3.860 573 H ASP 72 H ASP 72 1.223 13.412 7.488 574 HA ASP 72 HA ASP 72 1.554 15.732 9.255 575 HB2 ASP 72 1HB ASP 72 -0.854 14.157 8.323 576 HB3 ASP 72 2HB ASP 72 -0.970 15.529 9.423 577 H ARG 73 H ARG 73 1.299 12.302 9.561 578 HA ARG 73 HA ARG 73 1.301 12.593 12.524 579 HB2 ARG 73 1HB ARG 73 -0.579 10.828 10.932 580 HB3 ARG 73 2HB ARG 73 -0.286 10.624 12.660 581 HG2 ARG 73 1HG ARG 73 -1.044 12.927 13.076 582 HG3 ARG 73 2HG ARG 73 -1.304 13.165 11.349 583 HD2 ARG 73 1HD ARG 73 -2.987 11.377 11.341 584 HD3 ARG 73 2HD ARG 73 -2.711 11.097 13.059 585 HE ARG 73 HE ARG 73 -3.917 13.085 13.547 586 HH11 ARG 73 1HH2 ARG 73 -3.285 12.718 10.169 587 HH12 ARG 73 2HH2 ARG 73 -4.382 13.972 9.701 588 HH21 ARG 73 1HH1 ARG 73 -5.346 14.712 12.944 589 HH22 ARG 73 2HH1 ARG 73 -5.547 15.100 11.267 590 H HIS 74 H HIS 74 3.483 11.993 12.548 591 HA HIS 74 HA HIS 74 4.677 9.864 11.107 592 HB2 HIS 74 1HB HIS 74 5.314 11.018 13.832 593 HB3 HIS 74 2HB HIS 74 6.349 9.853 13.009 594 HD1 HIS 74 HD1 HIS 74 7.349 10.641 10.657 595 HD2 HIS 74 HD2 HIS 74 5.587 13.653 12.938 596 HE1 HIS 74 HE1 HIS 74 8.130 12.837 9.668 597 H ASP 75 H ASP 75 3.124 9.892 14.307 598 HA ASP 75 HA ASP 75 2.631 8.074 15.760 599 HB2 ASP 75 1HB ASP 75 1.459 7.339 13.070 600 HB3 ASP 75 2HB ASP 75 1.126 6.410 14.532 601 H GLN 76 H GLN 76 2.675 5.822 13.124 602 HA GLN 76 HA GLN 76 5.385 4.913 13.440 603 HB2 GLN 76 1HB GLN 76 4.451 4.177 15.633 604 HB3 GLN 76 2HB GLN 76 3.254 3.215 14.771 605 HG2 GLN 76 1HG GLN 76 5.115 1.780 15.421 606 HG3 GLN 76 2HG GLN 76 5.118 1.962 13.667 607 HE21 GLN 76 2HE2 GLN 76 6.392 4.030 16.355 608 HE22 GLN 76 1HE2 GLN 76 7.949 4.164 15.695 609 H GLY 77 H GLY 77 5.400 4.748 11.207 610 HA2 GLY 77 1HA GLY 77 4.146 2.368 10.056 611 HA3 GLY 77 2HA GLY 77 3.529 3.888 9.404 612 H LEU 78 H LEU 78 5.232 5.419 8.553 613 HA LEU 78 HA LEU 78 7.368 3.885 7.141 614 HB2 LEU 78 1HB LEU 78 6.330 6.662 6.539 615 HB3 LEU 78 2HB LEU 78 7.370 5.677 5.512 616 HG LEU 78 HG LEU 78 4.529 4.968 6.322 617 HD11 LEU 78 1HD1 LEU 78 4.885 6.912 4.678 618 HD12 LEU 78 2HD1 LEU 78 3.867 5.585 4.118 619 HD13 LEU 78 3HD1 LEU 78 5.538 5.709 3.568 620 HD21 LEU 78 3HD2 LEU 78 5.635 2.914 5.940 621 HD22 LEU 78 1HD2 LEU 78 6.651 3.591 4.667 622 HD23 LEU 78 2HD2 LEU 78 4.940 3.286 4.364 623 H ALA 79 H ALA 79 7.310 5.207 9.967 624 HA ALA 79 HA ALA 79 9.177 7.373 9.956 625 HB1 ALA 79 3HB ALA 79 7.753 6.636 11.915 626 HB2 ALA 79 1HB ALA 79 9.447 6.927 12.321 627 HB3 ALA 79 2HB ALA 79 8.859 5.278 12.117 628 H ASP 80 H ASP 80 9.558 3.920 9.718 629 HA ASP 80 HA ASP 80 12.341 3.731 10.367 630 HB2 ASP 80 1HB ASP 80 10.817 1.773 10.181 631 HB3 ASP 80 2HB ASP 80 10.719 2.044 8.442 632 H LEU 81 H LEU 81 10.620 4.586 7.422 633 HA LEU 81 HA LEU 81 13.013 4.531 5.746 634 HB2 LEU 81 1HB LEU 81 10.319 5.820 5.225 635 HB3 LEU 81 2HB LEU 81 11.549 5.454 4.017 636 HG LEU 81 HG LEU 81 10.098 3.412 5.736 637 HD11 LEU 81 1HD1 LEU 81 9.898 3.927 2.753 638 HD12 LEU 81 2HD1 LEU 81 8.726 4.507 3.935 639 HD13 LEU 81 3HD1 LEU 81 8.951 2.775 3.696 640 HD21 LEU 81 3HD2 LEU 81 12.177 2.422 5.285 641 HD22 LEU 81 1HD2 LEU 81 12.342 3.232 3.727 642 HD23 LEU 81 2HD2 LEU 81 11.221 1.883 3.908 643 H GLY 82 H GLY 82 11.972 6.622 8.132 644 HA2 GLY 82 1HA GLY 82 13.975 8.562 7.658 645 HA3 GLY 82 2HA GLY 82 12.479 9.188 6.963 Start of MODEL 13 1 H1 MET 1 1H MET 1 7.834 1.314 -15.874 2 H2 MET 1 2H MET 1 8.505 2.639 -16.699 3 H3 MET 1 3H MET 1 6.905 2.161 -17.012 4 HA MET 1 HA MET 1 7.980 3.426 -14.558 5 HB2 MET 1 1HB MET 1 5.752 4.165 -16.486 6 HB3 MET 1 2HB MET 1 6.204 5.083 -15.050 7 HG2 MET 1 1HG MET 1 7.363 6.184 -16.784 8 HG3 MET 1 2HG MET 1 8.590 5.127 -16.087 9 HE1 MET 1 3HE MET 1 9.355 6.213 -18.408 10 HE2 MET 1 1HE MET 1 7.916 6.432 -19.413 11 HE3 MET 1 2HE MET 1 9.209 5.358 -19.941 12 H ASN 2 H ASN 2 7.245 0.846 -14.211 13 HA ASN 2 HA ASN 2 4.457 0.376 -13.719 14 HB2 ASN 2 1HB ASN 2 6.058 -1.472 -13.909 15 HB3 ASN 2 2HB ASN 2 6.926 -0.896 -12.487 16 HD21 ASN 2 2HD2 ASN 2 4.100 -2.661 -13.573 17 HD22 ASN 2 1HD2 ASN 2 3.528 -3.080 -12.030 18 H VAL 3 H VAL 3 7.098 1.570 -11.678 19 HA VAL 3 HA VAL 3 5.311 1.821 -9.345 20 HB VAL 3 HB VAL 3 7.304 2.668 -8.184 21 HG11 VAL 3 1HG1 VAL 3 7.969 0.272 -9.918 22 HG12 VAL 3 2HG1 VAL 3 6.928 0.214 -8.495 23 HG13 VAL 3 3HG1 VAL 3 8.632 0.639 -8.325 24 HG21 VAL 3 3HG2 VAL 3 8.490 2.589 -10.971 25 HG22 VAL 3 1HG2 VAL 3 9.489 2.607 -9.518 26 HG23 VAL 3 2HG2 VAL 3 8.414 3.961 -9.866 27 H ALA 4 H ALA 4 4.328 3.629 -8.711 28 HA ALA 4 HA ALA 4 4.519 6.032 -10.441 29 HB1 ALA 4 3HB ALA 4 2.578 5.135 -8.304 30 HB2 ALA 4 1HB ALA 4 2.275 5.339 -10.029 31 HB3 ALA 4 2HB ALA 4 2.527 6.753 -9.006 32 H HIS 5 H HIS 5 4.659 8.145 -9.444 33 HA HIS 5 HA HIS 5 6.375 8.141 -6.977 34 HB2 HIS 5 1HB HIS 5 6.237 10.069 -9.310 35 HB3 HIS 5 2HB HIS 5 7.190 10.343 -7.852 36 HD1 HIS 5 HD1 HIS 5 8.889 10.189 -10.244 37 HD2 HIS 5 HD2 HIS 5 7.661 6.720 -8.288 38 HE1 HIS 5 HE1 HIS 5 10.528 8.375 -10.902 39 H TYR 6 H TYR 6 6.051 9.776 -5.449 40 HA TYR 6 HA TYR 6 3.548 11.373 -5.663 41 HB2 TYR 6 1HB TYR 6 3.291 9.102 -4.365 42 HB3 TYR 6 2HB TYR 6 4.200 9.920 -3.094 43 HD1 TYR 6 HD2 TYR 6 1.369 10.649 -5.450 44 HD2 TYR 6 HD1 TYR 6 2.947 11.074 -1.472 45 HE1 TYR 6 HE2 TYR 6 -0.682 11.847 -4.765 46 HE2 TYR 6 HE1 TYR 6 0.891 12.273 -0.793 47 HH TYR 6 HH TYR 6 -0.939 13.418 -1.656 48 H ARG 7 H ARG 7 4.110 11.717 -2.625 49 HA ARG 7 HA ARG 7 5.565 14.199 -2.893 50 HB2 ARG 7 1HB ARG 7 4.549 12.648 -0.502 51 HB3 ARG 7 2HB ARG 7 5.406 14.182 -0.346 52 HG2 ARG 7 1HG ARG 7 3.721 15.280 -1.769 53 HG3 ARG 7 2HG ARG 7 2.867 13.747 -1.950 54 HD2 ARG 7 1HD ARG 7 2.505 13.659 0.495 55 HD3 ARG 7 2HD ARG 7 3.351 15.197 0.673 56 HE ARG 7 HE ARG 7 1.127 15.376 -1.195 57 HH11 ARG 7 1HH2 ARG 7 2.077 15.386 2.139 58 HH12 ARG 7 2HH2 ARG 7 0.712 16.325 2.646 59 HH21 ARG 7 1HH1 ARG 7 -0.640 16.590 -0.531 60 HH22 ARG 7 2HH1 ARG 7 -0.819 17.003 1.142 61 H GLY 8 H GLY 8 7.257 12.420 -3.912 62 HA2 GLY 8 1HA GLY 8 9.624 12.186 -3.754 63 HA3 GLY 8 2HA GLY 8 9.528 12.531 -2.027 64 H TYR 9 H TYR 9 7.145 10.385 -2.400 65 HA TYR 9 HA TYR 9 8.943 8.068 -1.763 66 HB2 TYR 9 1HB TYR 9 6.037 8.576 -1.082 67 HB3 TYR 9 2HB TYR 9 6.917 7.099 -0.688 68 HD1 TYR 9 HD2 TYR 9 6.661 10.731 -0.026 69 HD2 TYR 9 HD1 TYR 9 8.585 7.046 1.056 70 HE1 TYR 9 HE2 TYR 9 7.574 11.806 2.014 71 HE2 TYR 9 HE1 TYR 9 9.498 8.121 3.097 72 HH TYR 9 HH TYR 9 9.082 11.583 3.689 73 H GLU 10 H GLU 10 8.839 6.227 -2.910 74 HA GLU 10 HA GLU 10 7.396 6.275 -5.476 75 HB2 GLU 10 1HB GLU 10 9.340 4.306 -4.238 76 HB3 GLU 10 2HB GLU 10 8.612 4.088 -5.831 77 HG2 GLU 10 1HG GLU 10 9.568 6.222 -6.580 78 HG3 GLU 10 2HG GLU 10 10.268 6.482 -4.981 79 H ILE 11 H ILE 11 5.782 4.858 -6.051 80 HA ILE 11 HA ILE 11 4.622 3.144 -3.873 81 HB ILE 11 HB ILE 11 3.163 4.854 -5.904 82 HG12 ILE 11 1HG1 ILE 11 3.172 4.980 -2.874 83 HG13 ILE 11 2HG1 ILE 11 4.201 5.990 -3.887 84 HG21 ILE 11 1HG2 ILE 11 1.165 4.042 -4.499 85 HG22 ILE 11 2HG2 ILE 11 2.247 2.786 -3.898 86 HG23 ILE 11 3HG2 ILE 11 1.873 2.878 -5.618 87 HD11 ILE 11 3HD1 ILE 11 2.201 7.251 -3.353 88 HD12 ILE 11 1HD1 ILE 11 1.172 5.919 -3.878 89 HD13 ILE 11 2HD1 ILE 11 2.134 6.808 -5.059 90 H GLU 12 H GLU 12 4.240 1.111 -4.419 91 HA GLU 12 HA GLU 12 4.256 0.376 -7.311 92 HB2 GLU 12 1HB GLU 12 6.356 -0.272 -6.186 93 HB3 GLU 12 2HB GLU 12 5.423 -1.265 -5.065 94 HG2 GLU 12 1HG GLU 12 4.576 -2.623 -6.912 95 HG3 GLU 12 2HG GLU 12 5.372 -1.574 -8.086 96 HA PRO 13 HA PRO 13 0.314 -1.358 -5.916 97 HB2 PRO 13 1HB PRO 13 -0.592 -2.222 -8.336 98 HB3 PRO 13 2HB PRO 13 -0.556 -0.503 -7.891 99 HG2 PRO 13 1HG PRO 13 1.340 -2.056 -9.599 100 HG3 PRO 13 2HG PRO 13 0.710 -0.414 -9.819 101 HD2 PRO 13 1HD PRO 13 3.199 -0.971 -8.785 102 HD3 PRO 13 2HD PRO 13 2.292 0.519 -8.439 103 H GLY 14 H GLY 14 -0.665 -3.453 -5.704 104 HA2 GLY 14 1HA GLY 14 0.237 -5.854 -6.875 105 HA3 GLY 14 2HA GLY 14 1.200 -5.618 -5.418 106 H HIS 15 H HIS 15 0.015 -7.694 -4.909 107 HA HIS 15 HA HIS 15 -2.340 -7.048 -3.231 108 HB2 HIS 15 1HB HIS 15 -3.635 -8.943 -4.130 109 HB3 HIS 15 2HB HIS 15 -3.310 -7.752 -5.386 110 HD1 HIS 15 HD1 HIS 15 -1.143 -8.341 -6.957 111 HD2 HIS 15 HD2 HIS 15 -2.771 -11.500 -4.774 112 HE1 HIS 15 HE1 HIS 15 -0.281 -10.472 -8.024 113 H GLN 16 H GLN 16 -2.569 -8.442 -1.496 114 HA GLN 16 HA GLN 16 -1.164 -10.943 -1.231 115 HB2 GLN 16 1HB GLN 16 0.742 -9.290 -1.014 116 HB3 GLN 16 2HB GLN 16 -0.062 -8.659 0.421 117 HG2 GLN 16 1HG GLN 16 1.601 -10.291 1.123 118 HG3 GLN 16 2HG GLN 16 -0.002 -10.958 1.413 119 HE21 GLN 16 2HE2 GLN 16 0.414 -13.192 1.085 120 HE22 GLN 16 1HE2 GLN 16 1.012 -13.831 -0.369 121 H TYR 17 H TYR 17 -1.727 -11.991 0.730 122 HA TYR 17 HA TYR 17 -3.960 -10.673 2.229 123 HB2 TYR 17 1HB TYR 17 -4.726 -12.951 2.746 124 HB3 TYR 17 2HB TYR 17 -4.612 -12.703 1.006 125 HD1 TYR 17 HD2 TYR 17 -3.131 -14.390 3.930 126 HD2 TYR 17 HD1 TYR 17 -2.865 -13.792 -0.317 127 HE1 TYR 17 HE2 TYR 17 -1.595 -16.330 3.752 128 HE2 TYR 17 HE1 TYR 17 -1.332 -15.734 -0.494 129 HH TYR 17 HH TYR 17 0.384 -16.923 1.678 130 H ARG 18 H ARG 18 -3.954 -10.631 4.405 131 HA ARG 18 HA ARG 18 -1.348 -11.171 5.738 132 HB2 ARG 18 1HB ARG 18 -3.822 -9.657 6.627 133 HB3 ARG 18 2HB ARG 18 -2.381 -9.868 7.623 134 HG2 ARG 18 1HG ARG 18 -1.018 -8.761 5.884 135 HG3 ARG 18 2HG ARG 18 -2.462 -8.538 4.898 136 HD2 ARG 18 1HD ARG 18 -2.184 -7.443 7.711 137 HD3 ARG 18 2HD ARG 18 -1.804 -6.509 6.263 138 HE ARG 18 HE ARG 18 -4.435 -7.573 5.976 139 HH11 ARG 18 1HH2 ARG 18 -2.621 -5.300 7.861 140 HH12 ARG 18 2HH2 ARG 18 -3.982 -4.265 8.140 141 HH21 ARG 18 1HH1 ARG 18 -6.197 -6.226 6.339 142 HH22 ARG 18 2HH1 ARG 18 -5.998 -4.788 7.282 143 H ASP 19 H ASP 19 -1.097 -12.710 7.239 144 HA ASP 19 HA ASP 19 -2.999 -14.858 7.462 145 HB2 ASP 19 1HB ASP 19 -1.406 -15.735 9.174 146 HB3 ASP 19 2HB ASP 19 -0.588 -15.243 7.693 147 H ASP 20 H ASP 20 -2.560 -11.902 9.170 148 HA ASP 20 HA ASP 20 -3.662 -12.589 11.719 149 HB2 ASP 20 1HB ASP 20 -3.643 -9.999 10.148 150 HB3 ASP 20 2HB ASP 20 -4.278 -10.114 11.788 151 H ILE 21 H ILE 21 -5.185 -11.489 8.706 152 HA ILE 21 HA ILE 21 -7.873 -12.192 9.864 153 HB ILE 21 HB ILE 21 -8.801 -10.606 8.194 154 HG12 ILE 21 1HG1 ILE 21 -5.900 -9.860 7.687 155 HG13 ILE 21 2HG1 ILE 21 -6.887 -10.802 6.569 156 HG21 ILE 21 1HG2 ILE 21 -8.208 -9.901 10.520 157 HG22 ILE 21 2HG2 ILE 21 -8.122 -8.581 9.355 158 HG23 ILE 21 3HG2 ILE 21 -6.642 -9.356 9.918 159 HD11 ILE 21 3HD1 ILE 21 -7.308 -7.939 7.446 160 HD12 ILE 21 1HD1 ILE 21 -8.559 -8.875 6.626 161 HD13 ILE 21 2HD1 ILE 21 -7.031 -8.543 5.813 162 H ARG 22 H ARG 22 -5.503 -13.238 7.804 163 HA ARG 22 HA ARG 22 -5.437 -14.719 5.982 164 HB2 ARG 22 1HB ARG 22 -7.954 -15.634 7.401 165 HB3 ARG 22 2HB ARG 22 -7.171 -16.537 6.104 166 HG2 ARG 22 1HG ARG 22 -5.082 -16.623 7.423 167 HG3 ARG 22 2HG ARG 22 -5.875 -15.744 8.731 168 HD2 ARG 22 1HD ARG 22 -6.826 -18.409 7.642 169 HD3 ARG 22 2HD ARG 22 -5.836 -18.226 9.090 170 HE ARG 22 HE ARG 22 -8.692 -17.696 8.896 171 HH11 ARG 22 1HH2 ARG 22 -5.721 -16.894 10.489 172 HH12 ARG 22 2HH2 ARG 22 -6.509 -16.308 11.916 173 HH21 ARG 22 1HH1 ARG 22 -9.707 -16.942 10.744 174 HH22 ARG 22 2HH1 ARG 22 -8.760 -16.335 12.060 175 H LYS 23 H LYS 23 -6.545 -12.205 5.356 176 HA LYS 23 HA LYS 23 -8.402 -12.994 3.157 177 HB2 LYS 23 1HB LYS 23 -8.743 -10.709 5.104 178 HB3 LYS 23 2HB LYS 23 -9.580 -10.766 3.553 179 HG2 LYS 23 1HG LYS 23 -9.725 -13.129 5.424 180 HG3 LYS 23 2HG LYS 23 -10.776 -11.739 5.679 181 HD2 LYS 23 1HD LYS 23 -11.625 -11.953 3.369 182 HD3 LYS 23 2HD LYS 23 -10.591 -13.352 3.111 183 HE2 LYS 23 1HE LYS 23 -11.722 -14.548 4.930 184 HE3 LYS 23 2HE LYS 23 -12.764 -13.149 5.201 185 HZ1 LYS 23 3HZ LYS 23 -13.324 -13.402 2.732 186 HZ2 LYS 23 1HZ LYS 23 -14.012 -14.506 3.821 187 HZ3 LYS 23 2HZ LYS 23 -12.675 -14.966 2.877 188 H TYR 24 H TYR 24 -8.470 -11.455 1.403 189 HA TYR 24 HA TYR 24 -5.771 -10.438 0.828 190 HB2 TYR 24 1HB TYR 24 -8.298 -10.588 -0.835 191 HB3 TYR 24 2HB TYR 24 -6.747 -10.000 -1.437 192 HD1 TYR 24 HD1 TYR 24 -8.568 -12.965 -0.161 193 HD2 TYR 24 HD2 TYR 24 -4.918 -11.502 -1.891 194 HE1 TYR 24 HE1 TYR 24 -7.844 -15.296 -0.607 195 HE2 TYR 24 HE2 TYR 24 -4.195 -13.832 -2.336 196 HH TYR 24 HH TYR 24 -4.820 -16.203 -1.181 197 H VAL 25 H VAL 25 -5.185 -8.382 1.012 198 HA VAL 25 HA VAL 25 -7.267 -6.261 0.980 199 HB VAL 25 HB VAL 25 -6.107 -5.128 2.873 200 HG11 VAL 25 1HG1 VAL 25 -7.042 -7.936 3.526 201 HG12 VAL 25 2HG1 VAL 25 -8.115 -6.580 3.190 202 HG13 VAL 25 3HG1 VAL 25 -7.065 -6.540 4.603 203 HG21 VAL 25 3HG2 VAL 25 -3.909 -6.181 2.661 204 HG22 VAL 25 1HG2 VAL 25 -4.607 -7.764 3.008 205 HG23 VAL 25 2HG2 VAL 25 -4.576 -6.521 4.257 206 HA PRO 26 HA PRO 26 -4.768 -4.057 -1.931 207 HB2 PRO 26 1HB PRO 26 -4.820 -1.833 0.089 208 HB3 PRO 26 2HB PRO 26 -5.159 -1.781 -1.651 209 HG2 PRO 26 1HG PRO 26 -7.116 -1.794 0.220 210 HG3 PRO 26 2HG PRO 26 -7.316 -2.497 -1.395 211 HD2 PRO 26 1HD PRO 26 -7.130 -3.872 1.202 212 HD3 PRO 26 2HD PRO 26 -7.684 -4.494 -0.366 213 H TYR 27 H TYR 27 -2.738 -4.885 -1.994 214 HA TYR 27 HA TYR 27 -0.845 -4.294 0.252 215 HB2 TYR 27 1HB TYR 27 -1.267 -6.693 -0.511 216 HB3 TYR 27 2HB TYR 27 -0.454 -6.258 -2.015 217 HD1 TYR 27 HD1 TYR 27 -0.025 -6.267 1.694 218 HD2 TYR 27 HD2 TYR 27 1.912 -6.247 -2.141 219 HE1 TYR 27 HE1 TYR 27 2.169 -6.593 2.801 220 HE2 TYR 27 HE2 TYR 27 4.106 -6.572 -1.034 221 HH TYR 27 HH TYR 27 5.090 -7.208 0.944 222 H ALA 28 H ALA 28 0.424 -2.595 -0.103 223 HA ALA 28 HA ALA 28 1.581 -2.203 -2.846 224 HB1 ALA 28 3HB ALA 28 1.306 0.395 -1.782 225 HB2 ALA 28 1HB ALA 28 -0.217 -0.403 -1.398 226 HB3 ALA 28 2HB ALA 28 0.329 -0.309 -3.071 227 H LEU 29 H LEU 29 3.677 -1.573 -2.851 228 HA LEU 29 HA LEU 29 5.076 -1.485 -0.203 229 HB2 LEU 29 1HB LEU 29 6.184 -2.019 -2.977 230 HB3 LEU 29 2HB LEU 29 7.081 -2.121 -1.462 231 HG LEU 29 HG LEU 29 4.666 -3.812 -2.178 232 HD11 LEU 29 1HD1 LEU 29 6.656 -4.416 -3.496 233 HD12 LEU 29 2HD1 LEU 29 6.313 -5.660 -2.292 234 HD13 LEU 29 3HD1 LEU 29 7.617 -4.504 -2.020 235 HD21 LEU 29 3HD2 LEU 29 5.671 -5.103 -0.103 236 HD22 LEU 29 1HD2 LEU 29 4.639 -3.702 0.165 237 HD23 LEU 29 2HD2 LEU 29 6.392 -3.542 0.282 238 H ILE 30 H ILE 30 5.894 0.369 0.439 239 HA ILE 30 HA ILE 30 6.273 2.582 -1.550 240 HB ILE 30 HB ILE 30 5.548 2.699 1.389 241 HG12 ILE 30 1HG1 ILE 30 4.063 3.760 -1.029 242 HG13 ILE 30 2HG1 ILE 30 3.761 2.158 -0.355 243 HG21 ILE 30 1HG2 ILE 30 7.009 4.535 1.027 244 HG22 ILE 30 2HG2 ILE 30 5.394 5.212 0.818 245 HG23 ILE 30 3HG2 ILE 30 6.380 4.825 -0.594 246 HD11 ILE 30 3HD1 ILE 30 2.213 3.965 0.505 247 HD12 ILE 30 1HD1 ILE 30 3.616 4.709 1.273 248 HD13 ILE 30 2HD1 ILE 30 3.094 3.097 1.765 249 H ARG 31 H ARG 31 8.266 3.353 -1.767 250 HA ARG 31 HA ARG 31 10.304 2.771 0.366 251 HB2 ARG 31 1HB ARG 31 10.585 2.466 -2.632 252 HB3 ARG 31 2HB ARG 31 11.950 2.469 -1.516 253 HG2 ARG 31 1HG ARG 31 10.998 0.547 -0.317 254 HG3 ARG 31 2HG ARG 31 9.607 0.548 -1.401 255 HD2 ARG 31 1HD ARG 31 11.094 0.124 -3.322 256 HD3 ARG 31 2HD ARG 31 12.490 0.147 -2.247 257 HE ARG 31 HE ARG 31 11.865 -2.003 -1.427 258 HH11 ARG 31 1HH2 ARG 31 9.468 -0.615 -3.512 259 HH12 ARG 31 2HH2 ARG 31 8.577 -2.092 -3.663 260 HH21 ARG 31 1HH1 ARG 31 10.709 -3.912 -1.629 261 HH22 ARG 31 2HH1 ARG 31 9.276 -3.951 -2.600 262 H LYS 32 H LYS 32 11.523 4.459 0.917 263 HA LYS 32 HA LYS 32 10.932 7.091 -0.228 264 HB2 LYS 32 1HB LYS 32 11.210 6.735 2.224 265 HB3 LYS 32 2HB LYS 32 12.904 6.325 1.943 266 HG2 LYS 32 1HG LYS 32 13.328 8.534 1.007 267 HG3 LYS 32 2HG LYS 32 11.620 8.952 1.143 268 HD2 LYS 32 1HD LYS 32 11.761 8.686 3.600 269 HD3 LYS 32 2HD LYS 32 13.477 8.310 3.453 270 HE2 LYS 32 1HE LYS 32 12.215 10.891 2.486 271 HE3 LYS 32 2HE LYS 32 13.036 10.710 4.036 272 HZ1 LYS 32 3HZ LYS 32 14.386 9.930 1.538 273 HZ2 LYS 32 1HZ LYS 32 15.067 10.382 3.023 274 HZ3 LYS 32 2HZ LYS 32 14.359 11.558 2.022 275 H VAL 33 H VAL 33 12.232 8.272 -1.509 276 HA VAL 33 HA VAL 33 14.332 6.977 -2.994 277 HB VAL 33 HB VAL 33 13.482 9.884 -2.829 278 HG11 VAL 33 1HG1 VAL 33 15.503 8.460 -4.568 279 HG12 VAL 33 2HG1 VAL 33 15.720 9.935 -3.627 280 HG13 VAL 33 3HG1 VAL 33 14.727 9.959 -5.084 281 HG21 VAL 33 3HG2 VAL 33 12.441 9.359 -5.026 282 HG22 VAL 33 1HG2 VAL 33 11.777 8.358 -3.735 283 HG23 VAL 33 2HG2 VAL 33 12.960 7.683 -4.854 284 H GLY 34 H GLY 34 16.462 6.951 -2.646 285 HA2 GLY 34 1HA GLY 34 18.555 7.998 -1.924 286 HA3 GLY 34 2HA GLY 34 17.670 8.812 -0.630 287 H VAL 35 H VAL 35 16.144 6.237 -0.149 288 HA VAL 35 HA VAL 35 18.226 4.398 0.855 289 HB VAL 35 HB VAL 35 17.152 4.511 3.179 290 HG11 VAL 35 1HG1 VAL 35 18.584 7.019 2.275 291 HG12 VAL 35 2HG1 VAL 35 19.398 5.476 2.536 292 HG13 VAL 35 3HG1 VAL 35 18.610 6.299 3.882 293 HG21 VAL 35 3HG2 VAL 35 16.229 7.208 2.131 294 HG22 VAL 35 1HG2 VAL 35 15.998 6.577 3.760 295 HG23 VAL 35 2HG2 VAL 35 15.157 5.834 2.401 296 HA PRO 36 HA PRO 36 14.109 2.587 -0.615 297 HB2 PRO 36 1HB PRO 36 16.090 0.728 -1.890 298 HB3 PRO 36 2HB PRO 36 14.623 1.452 -2.582 299 HG2 PRO 36 1HG PRO 36 17.039 2.327 -3.272 300 HG3 PRO 36 2HG PRO 36 15.681 3.449 -3.070 301 HD2 PRO 36 1HD PRO 36 17.988 2.928 -1.217 302 HD3 PRO 36 2HD PRO 36 17.165 4.457 -1.595 303 H ASP 37 H ASP 37 17.113 1.197 0.594 304 HA ASP 37 HA ASP 37 16.132 -1.326 1.477 305 HB2 ASP 37 1HB ASP 37 18.363 0.392 2.618 306 HB3 ASP 37 2HB ASP 37 18.105 -1.310 3.004 307 H ARG 38 H ARG 38 17.327 -0.396 4.292 308 HA ARG 38 HA ARG 38 16.430 -0.064 6.406 309 HB2 ARG 38 1HB ARG 38 14.591 1.767 4.844 310 HB3 ARG 38 2HB ARG 38 14.721 1.727 6.601 311 HG2 ARG 38 1HG ARG 38 17.091 2.314 6.466 312 HG3 ARG 38 2HG ARG 38 17.016 2.293 4.704 313 HD2 ARG 38 1HD ARG 38 16.823 4.595 5.459 314 HD3 ARG 38 2HD ARG 38 15.270 4.066 4.804 315 HE ARG 38 HE ARG 38 15.290 3.568 7.613 316 HH11 ARG 38 1HH2 ARG 38 15.270 6.180 5.337 317 HH12 ARG 38 2HH2 ARG 38 14.418 7.253 6.395 318 HH21 ARG 38 1HH1 ARG 38 14.188 4.962 8.980 319 HH22 ARG 38 2HH1 ARG 38 13.810 6.567 8.448 320 H THR 39 H THR 39 14.961 -1.690 4.084 321 HA THR 39 HA THR 39 13.463 -3.480 4.219 322 HB THR 39 HB THR 39 12.544 -2.647 6.950 323 HG1 THR 39 HG1 THR 39 15.007 -3.857 6.252 324 HG21 THR 39 3HG2 THR 39 13.151 -5.320 5.654 325 HG22 THR 39 1HG2 THR 39 11.545 -4.613 5.831 326 HG23 THR 39 2HG2 THR 39 12.465 -5.085 7.260 327 HA PRO 40 HA PRO 40 10.278 -0.507 2.756 328 HB2 PRO 40 1HB PRO 40 9.245 -3.092 1.643 329 HB3 PRO 40 2HB PRO 40 9.433 -1.516 0.843 330 HG2 PRO 40 1HG PRO 40 11.140 -3.503 0.379 331 HG3 PRO 40 2HG PRO 40 11.696 -1.822 0.490 332 HD2 PRO 40 1HD PRO 40 11.989 -4.038 2.483 333 HD3 PRO 40 2HD PRO 40 13.082 -2.682 2.124 334 H ILE 41 H ILE 41 8.220 -0.061 3.489 335 HA ILE 41 HA ILE 41 7.035 -1.970 5.479 336 HB ILE 41 HB ILE 41 6.693 1.034 5.373 337 HG12 ILE 41 1HG1 ILE 41 9.027 0.536 5.866 338 HG13 ILE 41 2HG1 ILE 41 8.230 0.997 7.367 339 HG21 ILE 41 1HG2 ILE 41 6.026 -1.084 7.442 340 HG22 ILE 41 2HG2 ILE 41 4.867 -0.165 6.483 341 HG23 ILE 41 3HG2 ILE 41 5.854 0.652 7.695 342 HD11 ILE 41 3HD1 ILE 41 9.424 -0.919 8.004 343 HD12 ILE 41 1HD1 ILE 41 9.137 -1.728 6.470 344 HD13 ILE 41 2HD1 ILE 41 7.835 -1.589 7.648 345 HA PRO 42 HA PRO 42 4.094 -2.068 1.924 346 HB2 PRO 42 1HB PRO 42 2.948 -4.116 3.798 347 HB3 PRO 42 2HB PRO 42 3.219 -4.214 2.046 348 HG2 PRO 42 1HG PRO 42 4.834 -5.460 3.748 349 HG3 PRO 42 2HG PRO 42 5.469 -4.681 2.287 350 HD2 PRO 42 1HD PRO 42 5.617 -3.760 5.130 351 HD3 PRO 42 2HD PRO 42 6.791 -3.557 3.811 352 H THR 43 H THR 43 2.103 -1.118 1.719 353 HA THR 43 HA THR 43 0.856 -0.022 4.214 354 HB THR 43 HB THR 43 1.287 1.871 2.967 355 HG1 THR 43 HG1 THR 43 -0.624 2.266 1.611 356 HG21 THR 43 3HG2 THR 43 1.137 1.848 0.420 357 HG22 THR 43 1HG2 THR 43 1.000 0.094 0.537 358 HG23 THR 43 2HG2 THR 43 2.450 0.906 1.125 359 H THR 44 H THR 44 -1.219 -0.415 4.666 360 HA THR 44 HA THR 44 -2.937 -1.817 2.672 361 HB THR 44 HB THR 44 -3.604 -3.498 4.267 362 HG1 THR 44 HG1 THR 44 -3.169 -3.346 6.328 363 HG21 THR 44 3HG2 THR 44 -1.533 -3.914 2.975 364 HG22 THR 44 1HG2 THR 44 -1.506 -4.717 4.544 365 HG23 THR 44 2HG2 THR 44 -0.589 -3.230 4.299 366 H TYR 45 H TYR 45 -5.226 -1.878 3.440 367 HA TYR 45 HA TYR 45 -5.876 0.360 5.282 368 HB2 TYR 45 1HB TYR 45 -5.951 1.105 2.886 369 HB3 TYR 45 2HB TYR 45 -7.271 -0.035 2.639 370 HD1 TYR 45 HD2 TYR 45 -9.434 0.274 3.831 371 HD2 TYR 45 HD1 TYR 45 -6.252 3.141 4.157 372 HE1 TYR 45 HE2 TYR 45 -11.025 1.933 4.762 373 HE2 TYR 45 HE1 TYR 45 -7.843 4.799 5.089 374 HH TYR 45 HH TYR 45 -10.256 5.241 5.077 375 HA PRO 46 HA PRO 46 -8.666 -2.680 7.079 376 HB2 PRO 46 1HB PRO 46 -10.455 -0.285 7.408 377 HB3 PRO 46 2HB PRO 46 -9.972 -1.501 8.608 378 HG2 PRO 46 1HG PRO 46 -8.875 0.922 8.598 379 HG3 PRO 46 2HG PRO 46 -7.916 -0.523 8.973 380 HD2 PRO 46 1HD PRO 46 -7.919 1.142 6.494 381 HD3 PRO 46 2HD PRO 46 -6.609 0.212 7.255 382 H GLU 47 H GLU 47 -8.909 -3.361 4.695 383 HA GLU 47 HA GLU 47 -11.695 -3.670 4.083 384 HB2 GLU 47 1HB GLU 47 -11.859 -2.403 2.028 385 HB3 GLU 47 2HB GLU 47 -11.371 -1.301 3.312 386 HG2 GLU 47 1HG GLU 47 -8.978 -1.649 2.585 387 HG3 GLU 47 2HG GLU 47 -9.590 -2.541 1.196 388 H PHE 48 H PHE 48 -11.979 -5.314 2.606 389 HA PHE 48 HA PHE 48 -9.521 -6.441 1.315 390 HB2 PHE 48 1HB PHE 48 -10.885 -8.692 1.668 391 HB3 PHE 48 2HB PHE 48 -9.888 -8.043 2.965 392 HD1 PHE 48 HD2 PHE 48 -13.372 -8.235 1.665 393 HD2 PHE 48 HD1 PHE 48 -10.844 -7.246 4.996 394 HE1 PHE 48 HE2 PHE 48 -15.366 -8.073 3.133 395 HE2 PHE 48 HE1 PHE 48 -12.833 -7.086 6.460 396 HZ PHE 48 HZ PHE 48 -15.098 -7.499 5.531 397 H TYR 49 H TYR 49 -9.806 -7.420 -0.676 398 HA TYR 49 HA TYR 49 -12.499 -7.189 -1.960 399 HB2 TYR 49 1HB TYR 49 -9.898 -6.082 -3.044 400 HB3 TYR 49 2HB TYR 49 -11.356 -6.289 -4.013 401 HD1 TYR 49 HD2 TYR 49 -13.527 -5.191 -3.154 402 HD2 TYR 49 HD1 TYR 49 -9.615 -4.139 -1.726 403 HE1 TYR 49 HE2 TYR 49 -14.415 -3.036 -2.306 404 HE2 TYR 49 HE1 TYR 49 -10.504 -1.986 -0.882 405 HH TYR 49 HH TYR 49 -12.534 -0.952 -0.262 406 H ASP 50 H ASP 50 -12.985 -8.953 -3.104 407 HA ASP 50 HA ASP 50 -11.145 -11.206 -3.234 408 HB2 ASP 50 1HB ASP 50 -13.911 -10.717 -4.389 409 HB3 ASP 50 2HB ASP 50 -13.040 -12.239 -4.587 410 H LEU 51 H LEU 51 -11.823 -8.489 -5.196 411 HA LEU 51 HA LEU 51 -10.766 -9.767 -7.671 412 HB2 LEU 51 1HB LEU 51 -11.822 -6.956 -7.228 413 HB3 LEU 51 2HB LEU 51 -11.449 -7.698 -8.784 414 HG LEU 51 HG LEU 51 -13.542 -8.705 -6.830 415 HD11 LEU 51 1HD1 LEU 51 -13.881 -7.322 -9.508 416 HD12 LEU 51 2HD1 LEU 51 -14.132 -6.550 -7.942 417 HD13 LEU 51 3HD1 LEU 51 -15.174 -7.880 -8.448 418 HD21 LEU 51 3HD2 LEU 51 -12.885 -10.610 -8.026 419 HD22 LEU 51 1HD2 LEU 51 -12.489 -9.691 -9.479 420 HD23 LEU 51 2HD2 LEU 51 -14.175 -9.989 -9.051 421 H GLU 52 H GLU 52 -8.738 -9.479 -8.306 422 HA GLU 52 HA GLU 52 -6.782 -8.193 -6.628 423 HB2 GLU 52 1HB GLU 52 -6.274 -10.147 -8.078 424 HB3 GLU 52 2HB GLU 52 -6.535 -9.141 -9.504 425 HG2 GLU 52 1HG GLU 52 -4.698 -7.667 -8.839 426 HG3 GLU 52 2HG GLU 52 -4.470 -8.586 -7.353 427 H ALA 53 H ALA 53 -8.397 -7.253 -9.641 428 HA ALA 53 HA ALA 53 -6.800 -4.979 -10.270 429 HB1 ALA 53 3HB ALA 53 -8.548 -5.969 -11.772 430 HB2 ALA 53 1HB ALA 53 -8.711 -4.221 -11.597 431 HB3 ALA 53 2HB ALA 53 -9.787 -5.301 -10.711 432 H ASP 54 H ASP 54 -9.677 -5.295 -8.220 433 HA ASP 54 HA ASP 54 -9.936 -2.517 -7.553 434 HB2 ASP 54 1HB ASP 54 -10.766 -5.057 -6.122 435 HB3 ASP 54 2HB ASP 54 -11.148 -3.453 -5.498 436 H ALA 55 H ALA 55 -8.135 -5.184 -6.074 437 HA ALA 55 HA ALA 55 -7.229 -3.760 -3.754 438 HB1 ALA 55 3HB ALA 55 -5.701 -5.573 -3.448 439 HB2 ALA 55 1HB ALA 55 -5.680 -5.942 -5.173 440 HB3 ALA 55 2HB ALA 55 -7.119 -6.290 -4.215 441 H GLU 56 H GLU 56 -5.865 -4.149 -7.004 442 HA GLU 56 HA GLU 56 -3.378 -2.802 -6.467 443 HB2 GLU 56 1HB GLU 56 -4.934 -3.228 -9.037 444 HB3 GLU 56 2HB GLU 56 -3.317 -2.527 -8.984 445 HG2 GLU 56 1HG GLU 56 -2.442 -4.555 -7.926 446 HG3 GLU 56 2HG GLU 56 -4.059 -5.255 -7.887 447 H ARG 57 H ARG 57 -6.430 -1.668 -7.925 448 HA ARG 57 HA ARG 57 -5.604 1.052 -8.296 449 HB2 ARG 57 1HB ARG 57 -7.623 0.019 -9.361 450 HB3 ARG 57 2HB ARG 57 -8.406 -0.000 -7.782 451 HG2 ARG 57 1HG ARG 57 -8.238 2.436 -7.630 452 HG3 ARG 57 2HG ARG 57 -7.368 2.492 -9.163 453 HD2 ARG 57 1HD ARG 57 -9.703 3.043 -9.571 454 HD3 ARG 57 2HD ARG 57 -9.359 1.463 -10.273 455 HE ARG 57 HE ARG 57 -10.743 0.453 -8.613 456 HH11 ARG 57 1HH2 ARG 57 -10.202 3.827 -8.036 457 HH12 ARG 57 2HH2 ARG 57 -11.429 3.936 -6.819 458 HH21 ARG 57 1HH1 ARG 57 -12.337 0.602 -7.040 459 HH22 ARG 57 2HH1 ARG 57 -12.632 2.119 -6.257 460 H VAL 58 H VAL 58 -7.346 -0.555 -5.661 461 HA VAL 58 HA VAL 58 -7.688 1.802 -4.046 462 HB VAL 58 HB VAL 58 -7.657 -1.146 -3.324 463 HG11 VAL 58 1HG1 VAL 58 -7.168 -0.020 -1.291 464 HG12 VAL 58 2HG1 VAL 58 -8.916 -0.248 -1.258 465 HG13 VAL 58 3HG1 VAL 58 -8.238 1.324 -1.682 466 HG21 VAL 58 3HG2 VAL 58 -10.009 0.753 -3.461 467 HG22 VAL 58 1HG2 VAL 58 -10.031 -1.012 -3.445 468 HG23 VAL 58 2HG2 VAL 58 -9.463 -0.150 -4.874 469 H SER 59 H SER 59 -5.222 -0.750 -4.120 470 HA SER 59 HA SER 59 -3.751 0.037 -1.837 471 HB2 SER 59 1HB SER 59 -1.835 -1.122 -2.906 472 HB3 SER 59 2HB SER 59 -3.309 -2.071 -3.030 473 HG SER 59 HG SER 59 -1.757 -1.320 -4.978 474 H ILE 60 H ILE 60 -3.573 1.193 -5.180 475 HA ILE 60 HA ILE 60 -1.301 2.919 -4.798 476 HB ILE 60 HB ILE 60 -3.613 3.054 -6.764 477 HG12 ILE 60 1HG1 ILE 60 -0.730 2.226 -7.197 478 HG13 ILE 60 2HG1 ILE 60 -2.015 1.075 -6.831 479 HG21 ILE 60 1HG2 ILE 60 -1.926 4.518 -8.050 480 HG22 ILE 60 2HG2 ILE 60 -1.087 4.696 -6.508 481 HG23 ILE 60 3HG2 ILE 60 -2.746 5.266 -6.679 482 HD11 ILE 60 3HD1 ILE 60 -3.208 1.640 -8.840 483 HD12 ILE 60 1HD1 ILE 60 -1.525 1.383 -9.304 484 HD13 ILE 60 2HD1 ILE 60 -2.156 3.023 -9.146 485 H ALA 61 H ALA 61 -4.804 3.461 -4.586 486 HA ALA 61 HA ALA 61 -4.631 6.267 -3.937 487 HB1 ALA 61 3HB ALA 61 -6.980 6.067 -3.332 488 HB2 ALA 61 1HB ALA 61 -6.836 4.315 -3.202 489 HB3 ALA 61 2HB ALA 61 -6.699 5.096 -4.777 490 H CYS 62 H CYS 62 -4.771 3.311 -2.016 491 HA CYS 62 HA CYS 62 -4.993 4.577 0.555 492 HB2 CYS 62 1HB CYS 62 -4.739 2.425 1.424 493 HB3 CYS 62 2HB CYS 62 -5.249 2.039 -0.214 494 HG CYS 62 HG CYS 62 -2.748 1.540 -0.820 495 H ALA 63 H ALA 63 -2.277 3.646 -1.476 496 HA ALA 63 HA ALA 63 -0.168 4.044 0.393 497 HB1 ALA 63 3HB ALA 63 0.277 2.955 -1.730 498 HB2 ALA 63 1HB ALA 63 1.229 4.439 -1.685 499 HB3 ALA 63 2HB ALA 63 -0.262 4.376 -2.623 500 H LYS 64 H LYS 64 -1.704 6.279 -1.905 501 HA LYS 64 HA LYS 64 -0.071 8.558 -1.285 502 HB2 LYS 64 1HB LYS 64 -2.913 8.342 -2.330 503 HB3 LYS 64 2HB LYS 64 -2.015 9.858 -2.242 504 HG2 LYS 64 1HG LYS 64 -0.268 8.925 -3.698 505 HG3 LYS 64 2HG LYS 64 -1.138 7.392 -3.773 506 HD2 LYS 64 1HD LYS 64 -3.063 8.526 -4.816 507 HD3 LYS 64 2HD LYS 64 -2.206 10.065 -4.733 508 HE2 LYS 64 1HE LYS 64 -0.428 9.165 -6.184 509 HE3 LYS 64 2HE LYS 64 -1.269 7.616 -6.259 510 HZ1 LYS 64 3HZ LYS 64 -1.641 9.270 -8.145 511 HZ2 LYS 64 1HZ LYS 64 -2.608 10.127 -7.046 512 HZ3 LYS 64 2HZ LYS 64 -3.012 8.531 -7.465 513 H ILE 65 H ILE 65 -3.157 7.405 0.027 514 HA ILE 65 HA ILE 65 -3.598 9.604 1.822 515 HB ILE 65 HB ILE 65 -4.548 6.722 1.905 516 HG12 ILE 65 1HG1 ILE 65 -6.049 9.257 1.193 517 HG13 ILE 65 2HG1 ILE 65 -5.252 8.245 -0.011 518 HG21 ILE 65 1HG2 ILE 65 -4.737 7.492 4.148 519 HG22 ILE 65 2HG2 ILE 65 -6.333 7.761 3.446 520 HG23 ILE 65 3HG2 ILE 65 -5.213 9.111 3.636 521 HD11 ILE 65 3HD1 ILE 65 -6.624 6.325 0.661 522 HD12 ILE 65 1HD1 ILE 65 -7.660 7.683 0.224 523 HD13 ILE 65 2HD1 ILE 65 -7.388 7.293 1.922 524 H ILE 66 H ILE 66 -2.024 6.447 2.247 525 HA ILE 66 HA ILE 66 -1.486 6.730 5.041 526 HB ILE 66 HB ILE 66 -0.063 5.148 2.876 527 HG12 ILE 66 1HG1 ILE 66 -2.545 4.690 3.664 528 HG13 ILE 66 2HG1 ILE 66 -1.426 3.345 3.483 529 HG21 ILE 66 1HG2 ILE 66 1.579 5.349 4.573 530 HG22 ILE 66 2HG2 ILE 66 0.776 3.824 4.946 531 HG23 ILE 66 3HG2 ILE 66 0.378 5.276 5.861 532 HD11 ILE 66 3HD1 ILE 66 -2.821 3.473 5.673 533 HD12 ILE 66 1HD1 ILE 66 -1.699 4.751 6.139 534 HD13 ILE 66 2HD1 ILE 66 -1.098 3.132 5.804 535 H ILE 67 H ILE 67 0.421 7.560 2.178 536 HA ILE 67 HA ILE 67 2.758 8.441 3.575 537 HB ILE 67 HB ILE 67 1.613 9.217 0.877 538 HG12 ILE 67 1HG1 ILE 67 4.022 7.505 1.526 539 HG13 ILE 67 2HG1 ILE 67 2.404 6.822 1.359 540 HG21 ILE 67 1HG2 ILE 67 4.039 9.977 0.479 541 HG22 ILE 67 2HG2 ILE 67 4.207 9.966 2.235 542 HG23 ILE 67 3HG2 ILE 67 3.030 11.032 1.471 543 HD11 ILE 67 3HD1 ILE 67 3.887 6.827 -0.746 544 HD12 ILE 67 1HD1 ILE 67 3.619 8.570 -0.787 545 HD13 ILE 67 2HD1 ILE 67 2.251 7.464 -0.923 546 H ASP 68 H ASP 68 -0.132 10.183 2.458 547 HA ASP 68 HA ASP 68 0.743 12.777 3.385 548 HB2 ASP 68 1HB ASP 68 -1.899 11.569 2.571 549 HB3 ASP 68 2HB ASP 68 -1.892 13.149 3.349 550 H SER 69 H SER 69 -1.205 10.200 4.823 551 HA SER 69 HA SER 69 -1.954 11.599 7.202 552 HB2 SER 69 1HB SER 69 -1.530 8.629 6.749 553 HB3 SER 69 2HB SER 69 -2.351 9.329 8.140 554 HG SER 69 HG SER 69 -3.099 9.412 5.408 555 H HIS 70 H HIS 70 0.844 9.534 6.461 556 HA HIS 70 HA HIS 70 1.972 9.515 9.083 557 HB2 HIS 70 1HB HIS 70 2.750 8.013 7.276 558 HB3 HIS 70 2HB HIS 70 3.404 9.402 6.406 559 HD1 HIS 70 HD1 HIS 70 3.828 7.582 9.718 560 HD2 HIS 70 HD2 HIS 70 5.953 10.165 7.230 561 HE1 HIS 70 HE1 HIS 70 6.145 7.794 10.717 562 H LEU 71 H LEU 71 2.577 11.677 6.324 563 HA LEU 71 HA LEU 71 4.480 13.350 7.676 564 HB2 LEU 71 1HB LEU 71 2.616 13.896 5.344 565 HB3 LEU 71 2HB LEU 71 3.874 15.014 5.868 566 HG LEU 71 HG LEU 71 4.414 12.132 5.097 567 HD11 LEU 71 1HD1 LEU 71 5.367 13.188 2.989 568 HD12 LEU 71 2HD1 LEU 71 4.518 14.664 3.443 569 HD13 LEU 71 3HD1 LEU 71 3.608 13.192 3.104 570 HD21 LEU 71 3HD2 LEU 71 6.117 14.507 5.848 571 HD22 LEU 71 1HD2 LEU 71 6.763 13.304 4.731 572 HD23 LEU 71 2HD2 LEU 71 6.268 12.824 6.349 573 H ASP 72 H ASP 72 0.972 13.537 7.289 574 HA ASP 72 HA ASP 72 0.838 15.980 8.961 575 HB2 ASP 72 1HB ASP 72 -0.631 15.761 6.973 576 HB3 ASP 72 2HB ASP 72 -1.355 14.315 7.674 577 H ARG 73 H ARG 73 -1.255 13.119 9.051 578 HA ARG 73 HA ARG 73 -1.715 13.307 11.872 579 HB2 ARG 73 1HB ARG 73 -3.217 12.157 10.212 580 HB3 ARG 73 2HB ARG 73 -2.041 10.849 10.121 581 HG2 ARG 73 1HG ARG 73 -2.263 10.561 12.621 582 HG3 ARG 73 2HG ARG 73 -3.547 11.765 12.591 583 HD2 ARG 73 1HD ARG 73 -3.568 9.176 11.021 584 HD3 ARG 73 2HD ARG 73 -4.429 9.444 12.537 585 HE ARG 73 HE ARG 73 -5.193 10.498 9.909 586 HH11 ARG 73 1HH2 ARG 73 -5.436 10.763 13.355 587 HH12 ARG 73 2HH2 ARG 73 -6.946 11.610 13.299 588 HH21 ARG 73 1HH1 ARG 73 -7.147 11.588 9.841 589 HH22 ARG 73 2HH1 ARG 73 -7.911 12.076 11.317 590 H HIS 74 H HIS 74 -0.891 10.105 11.104 591 HA HIS 74 HA HIS 74 1.877 9.992 11.758 592 HB2 HIS 74 1HB HIS 74 1.182 10.813 13.972 593 HB3 HIS 74 2HB HIS 74 -0.029 9.537 14.080 594 HD1 HIS 74 HD1 HIS 74 0.774 7.191 14.724 595 HD2 HIS 74 HD2 HIS 74 3.909 9.875 14.139 596 HE1 HIS 74 HE1 HIS 74 2.872 6.033 15.545 597 H ASP 75 H ASP 75 -0.082 7.839 13.588 598 HA ASP 75 HA ASP 75 -0.495 5.551 13.380 599 HB2 ASP 75 1HB ASP 75 -1.015 6.492 10.553 600 HB3 ASP 75 2HB ASP 75 -1.283 4.826 11.066 601 H GLN 76 H GLN 76 2.218 6.500 13.150 602 HA GLN 76 HA GLN 76 4.355 5.826 12.487 603 HB2 GLN 76 1HB GLN 76 3.359 3.875 13.879 604 HB3 GLN 76 2HB GLN 76 3.175 3.043 12.336 605 HG2 GLN 76 1HG GLN 76 5.609 3.361 11.890 606 HG3 GLN 76 2HG GLN 76 5.770 4.170 13.445 607 HE21 GLN 76 2HE2 GLN 76 7.230 1.786 12.869 608 HE22 GLN 76 1HE2 GLN 76 6.642 0.545 13.864 609 H GLY 77 H GLY 77 4.172 3.091 10.888 610 HA2 GLY 77 1HA GLY 77 4.444 2.456 8.670 611 HA3 GLY 77 2HA GLY 77 3.184 3.627 8.292 612 H LEU 78 H LEU 78 5.858 2.880 7.055 613 HA LEU 78 HA LEU 78 7.553 3.978 5.869 614 HB2 LEU 78 1HB LEU 78 6.023 6.527 6.471 615 HB3 LEU 78 2HB LEU 78 7.090 6.207 5.108 616 HG LEU 78 HG LEU 78 4.469 4.772 5.635 617 HD11 LEU 78 1HD1 LEU 78 3.801 6.012 3.517 618 HD12 LEU 78 2HD1 LEU 78 5.249 6.996 3.737 619 HD13 LEU 78 3HD1 LEU 78 3.976 7.012 4.959 620 HD21 LEU 78 3HD2 LEU 78 5.869 3.273 4.437 621 HD22 LEU 78 1HD2 LEU 78 6.574 4.572 3.475 622 HD23 LEU 78 2HD2 LEU 78 4.910 4.064 3.188 623 H ALA 79 H ALA 79 6.988 4.345 9.069 624 HA ALA 79 HA ALA 79 8.731 6.476 9.857 625 HB1 ALA 79 3HB ALA 79 8.011 3.910 11.317 626 HB2 ALA 79 1HB ALA 79 7.106 5.421 11.396 627 HB3 ALA 79 2HB ALA 79 8.740 5.335 12.059 628 H ASP 80 H ASP 80 9.270 3.029 9.248 629 HA ASP 80 HA ASP 80 12.049 3.023 10.063 630 HB2 ASP 80 1HB ASP 80 10.420 1.186 8.280 631 HB3 ASP 80 2HB ASP 80 12.106 0.876 8.690 632 H LEU 81 H LEU 81 10.352 4.096 7.274 633 HA LEU 81 HA LEU 81 12.788 4.100 5.562 634 HB2 LEU 81 1HB LEU 81 9.964 5.045 4.949 635 HB3 LEU 81 2HB LEU 81 11.272 4.838 3.783 636 HG LEU 81 HG LEU 81 10.050 2.624 5.461 637 HD11 LEU 81 1HD1 LEU 81 9.754 3.401 2.550 638 HD12 LEU 81 2HD1 LEU 81 8.481 3.255 3.761 639 HD13 LEU 81 3HD1 LEU 81 9.303 1.812 3.169 640 HD21 LEU 81 3HD2 LEU 81 12.247 1.908 5.079 641 HD22 LEU 81 1HD2 LEU 81 12.371 2.759 3.539 642 HD23 LEU 81 2HD2 LEU 81 11.431 1.274 3.656 643 H GLY 82 H GLY 82 11.579 5.962 7.967 644 HA2 GLY 82 1HA GLY 82 13.280 8.182 7.480 645 HA3 GLY 82 2HA GLY 82 11.668 8.628 6.918 Start of MODEL 14 1 H1 MET 1 1H MET 1 5.001 0.728 -16.846 2 H2 MET 1 2H MET 1 6.375 1.674 -17.169 3 H3 MET 1 3H MET 1 4.852 2.163 -17.737 4 HA MET 1 HA MET 1 6.016 3.035 -15.460 5 HB2 MET 1 1HB MET 1 4.138 4.072 -16.706 6 HB3 MET 1 2HB MET 1 3.051 2.833 -16.079 7 HG2 MET 1 1HG MET 1 3.505 3.571 -13.781 8 HG3 MET 1 2HG MET 1 4.636 4.784 -14.379 9 HE1 MET 1 3HE MET 1 1.242 4.284 -13.050 10 HE2 MET 1 1HE MET 1 0.859 6.011 -13.093 11 HE3 MET 1 2HE MET 1 2.410 5.464 -12.460 12 H ASN 2 H ASN 2 6.791 1.176 -14.277 13 HA ASN 2 HA ASN 2 4.906 -0.721 -13.104 14 HB2 ASN 2 1HB ASN 2 7.225 -1.403 -13.570 15 HB3 ASN 2 2HB ASN 2 7.830 -0.159 -12.475 16 HD21 ASN 2 2HD2 ASN 2 8.510 -2.819 -11.922 17 HD22 ASN 2 1HD2 ASN 2 7.662 -3.362 -10.555 18 H VAL 3 H VAL 3 7.297 1.203 -11.321 19 HA VAL 3 HA VAL 3 5.381 1.520 -9.111 20 HB VAL 3 HB VAL 3 7.282 2.515 -7.903 21 HG11 VAL 3 1HG1 VAL 3 7.110 0.107 -7.861 22 HG12 VAL 3 2HG1 VAL 3 8.814 0.520 -8.052 23 HG13 VAL 3 3HG1 VAL 3 7.877 -0.026 -9.443 24 HG21 VAL 3 3HG2 VAL 3 8.428 3.736 -9.626 25 HG22 VAL 3 1HG2 VAL 3 8.639 2.283 -10.605 26 HG23 VAL 3 2HG2 VAL 3 9.534 2.468 -9.097 27 H ALA 4 H ALA 4 4.847 3.543 -8.193 28 HA ALA 4 HA ALA 4 4.920 5.848 -10.125 29 HB1 ALA 4 3HB ALA 4 2.739 4.885 -8.261 30 HB2 ALA 4 1HB ALA 4 2.663 5.087 -10.012 31 HB3 ALA 4 2HB ALA 4 2.743 6.503 -8.965 32 H HIS 5 H HIS 5 5.638 7.724 -9.368 33 HA HIS 5 HA HIS 5 6.727 7.846 -6.628 34 HB2 HIS 5 1HB HIS 5 6.892 9.786 -8.960 35 HB3 HIS 5 2HB HIS 5 7.715 9.995 -7.415 36 HD1 HIS 5 HD1 HIS 5 9.597 9.803 -9.695 37 HD2 HIS 5 HD2 HIS 5 8.113 6.377 -7.839 38 HE1 HIS 5 HE1 HIS 5 11.228 7.938 -10.223 39 H TYR 6 H TYR 6 5.928 9.077 -5.031 40 HA TYR 6 HA TYR 6 3.890 11.151 -5.560 41 HB2 TYR 6 1HB TYR 6 2.613 9.018 -5.318 42 HB3 TYR 6 2HB TYR 6 3.323 8.807 -3.716 43 HD1 TYR 6 HD1 TYR 6 1.364 11.236 -5.779 44 HD2 TYR 6 HD2 TYR 6 2.320 9.833 -1.835 45 HE1 TYR 6 HE1 TYR 6 -0.375 12.725 -4.827 46 HE2 TYR 6 HE2 TYR 6 0.582 11.321 -0.882 47 HH TYR 6 HH TYR 6 -1.466 13.336 -2.993 48 H ARG 7 H ARG 7 4.355 12.815 -4.319 49 HA ARG 7 HA ARG 7 5.322 14.140 -2.669 50 HB2 ARG 7 1HB ARG 7 4.537 11.722 -1.026 51 HB3 ARG 7 2HB ARG 7 5.097 13.238 -0.329 52 HG2 ARG 7 1HG ARG 7 2.805 13.254 -2.294 53 HG3 ARG 7 2HG ARG 7 2.511 12.823 -0.609 54 HD2 ARG 7 1HD ARG 7 3.585 14.961 0.098 55 HD3 ARG 7 2HD ARG 7 3.778 15.400 -1.593 56 HE ARG 7 HE ARG 7 1.442 15.796 -1.745 57 HH11 ARG 7 1HH2 ARG 7 2.381 14.382 1.277 58 HH12 ARG 7 2HH2 ARG 7 0.855 14.694 2.033 59 HH21 ARG 7 1HH1 ARG 7 -0.537 16.203 -0.757 60 HH22 ARG 7 2HH1 ARG 7 -0.788 15.721 0.887 61 H GLY 8 H GLY 8 6.979 12.201 -4.180 62 HA2 GLY 8 1HA GLY 8 9.345 12.003 -4.250 63 HA3 GLY 8 2HA GLY 8 9.422 12.514 -2.562 64 H TYR 9 H TYR 9 7.051 10.220 -2.825 65 HA TYR 9 HA TYR 9 8.906 8.056 -1.894 66 HB2 TYR 9 1HB TYR 9 5.961 8.537 -1.373 67 HB3 TYR 9 2HB TYR 9 6.828 7.086 -0.879 68 HD1 TYR 9 HD2 TYR 9 6.563 10.750 -0.401 69 HD2 TYR 9 HD1 TYR 9 8.377 7.104 0.959 70 HE1 TYR 9 HE2 TYR 9 7.363 11.910 1.640 71 HE2 TYR 9 HE1 TYR 9 9.177 8.263 3.001 72 HH TYR 9 HH TYR 9 8.081 10.720 4.260 73 H GLU 10 H GLU 10 8.870 6.097 -2.831 74 HA GLU 10 HA GLU 10 7.611 5.865 -5.482 75 HB2 GLU 10 1HB GLU 10 9.478 4.047 -3.919 76 HB3 GLU 10 2HB GLU 10 8.873 3.681 -5.537 77 HG2 GLU 10 1HG GLU 10 9.891 5.717 -6.422 78 HG3 GLU 10 2HG GLU 10 10.426 6.183 -4.807 79 H ILE 11 H ILE 11 6.054 4.370 -6.016 80 HA ILE 11 HA ILE 11 4.742 2.896 -3.746 81 HB ILE 11 HB ILE 11 3.430 4.306 -6.090 82 HG12 ILE 11 1HG1 ILE 11 3.209 4.835 -3.110 83 HG13 ILE 11 2HG1 ILE 11 4.283 5.736 -4.179 84 HG21 ILE 11 1HG2 ILE 11 1.335 3.633 -4.783 85 HG22 ILE 11 2HG2 ILE 11 2.374 2.534 -3.876 86 HG23 ILE 11 3HG2 ILE 11 2.176 2.326 -5.616 87 HD11 ILE 11 3HD1 ILE 11 1.995 6.791 -3.749 88 HD12 ILE 11 1HD1 ILE 11 1.317 5.481 -4.712 89 HD13 ILE 11 2HD1 ILE 11 2.456 6.613 -5.441 90 H GLU 12 H GLU 12 4.516 0.809 -4.050 91 HA GLU 12 HA GLU 12 4.618 -0.308 -6.818 92 HB2 GLU 12 1HB GLU 12 6.765 -0.603 -5.570 93 HB3 GLU 12 2HB GLU 12 5.883 -1.623 -4.430 94 HG2 GLU 12 1HG GLU 12 5.077 -2.933 -6.508 95 HG3 GLU 12 2HG GLU 12 6.353 -2.083 -7.380 96 HA PRO 13 HA PRO 13 0.833 -1.866 -4.724 97 HB2 PRO 13 1HB PRO 13 -0.743 -1.978 -6.931 98 HB3 PRO 13 2HB PRO 13 -0.392 -0.452 -6.094 99 HG2 PRO 13 1HG PRO 13 0.807 -1.558 -8.594 100 HG3 PRO 13 2HG PRO 13 0.348 0.111 -8.206 101 HD2 PRO 13 1HD PRO 13 2.925 -0.865 -8.076 102 HD3 PRO 13 2HD PRO 13 2.355 0.548 -7.156 103 H GLY 14 H GLY 14 -0.346 -3.864 -4.861 104 HA2 GLY 14 1HA GLY 14 -0.027 -5.909 -6.757 105 HA3 GLY 14 2HA GLY 14 1.272 -6.130 -5.585 106 H HIS 15 H HIS 15 -1.625 -7.273 -6.292 107 HA HIS 15 HA HIS 15 -3.091 -7.171 -3.818 108 HB2 HIS 15 1HB HIS 15 -4.433 -7.790 -5.636 109 HB3 HIS 15 2HB HIS 15 -3.214 -8.883 -6.297 110 HD1 HIS 15 HD1 HIS 15 -4.425 -8.891 -2.711 111 HD2 HIS 15 HD2 HIS 15 -4.695 -11.263 -6.127 112 HE1 HIS 15 HE1 HIS 15 -5.506 -11.059 -1.989 113 H GLN 16 H GLN 16 -3.090 -8.519 -2.107 114 HA GLN 16 HA GLN 16 -1.705 -11.058 -2.061 115 HB2 GLN 16 1HB GLN 16 0.224 -9.505 -1.923 116 HB3 GLN 16 2HB GLN 16 -0.489 -8.783 -0.480 117 HG2 GLN 16 1HG GLN 16 -0.351 -10.879 0.719 118 HG3 GLN 16 2HG GLN 16 0.180 -11.722 -0.736 119 HE21 GLN 16 2HE2 GLN 16 1.780 -11.728 1.629 120 HE22 GLN 16 1HE2 GLN 16 3.196 -10.841 1.327 121 H TYR 17 H TYR 17 -2.118 -12.201 -0.152 122 HA TYR 17 HA TYR 17 -4.325 -11.069 1.512 123 HB2 TYR 17 1HB TYR 17 -4.933 -13.348 1.992 124 HB3 TYR 17 2HB TYR 17 -4.679 -13.223 0.254 125 HD1 TYR 17 HD2 TYR 17 -2.695 -14.213 -0.810 126 HD2 TYR 17 HD1 TYR 17 -3.388 -14.585 3.412 127 HE1 TYR 17 HE2 TYR 17 -0.990 -16.011 -0.688 128 HE2 TYR 17 HE1 TYR 17 -1.686 -16.383 3.536 129 HH TYR 17 HH TYR 17 0.432 -17.091 0.893 130 H ARG 18 H ARG 18 -4.121 -10.844 3.643 131 HA ARG 18 HA ARG 18 -1.421 -11.271 4.841 132 HB2 ARG 18 1HB ARG 18 -3.814 -9.640 5.730 133 HB3 ARG 18 2HB ARG 18 -2.324 -9.792 6.662 134 HG2 ARG 18 1HG ARG 18 -1.040 -8.846 4.792 135 HG3 ARG 18 2HG ARG 18 -2.509 -8.738 3.824 136 HD2 ARG 18 1HD ARG 18 -2.017 -6.554 4.809 137 HD3 ARG 18 2HD ARG 18 -3.489 -7.211 5.521 138 HE ARG 18 HE ARG 18 -2.349 -7.449 7.592 139 HH11 ARG 18 1HH2 ARG 18 -0.183 -6.669 4.993 140 HH12 ARG 18 2HH2 ARG 18 1.149 -6.341 6.052 141 HH21 ARG 18 1HH1 ARG 18 -0.622 -7.016 8.950 142 HH22 ARG 18 2HH1 ARG 18 0.901 -6.537 8.281 143 H ASP 19 H ASP 19 -1.072 -12.673 6.438 144 HA ASP 19 HA ASP 19 -3.015 -14.733 7.025 145 HB2 ASP 19 1HB ASP 19 -1.261 -15.567 8.591 146 HB3 ASP 19 2HB ASP 19 -0.617 -15.237 6.986 147 H ASP 20 H ASP 20 -2.282 -11.670 8.385 148 HA ASP 20 HA ASP 20 -3.040 -12.094 11.115 149 HB2 ASP 20 1HB ASP 20 -3.105 -9.644 9.329 150 HB3 ASP 20 2HB ASP 20 -3.550 -9.588 11.035 151 H ILE 21 H ILE 21 -4.896 -11.164 8.233 152 HA ILE 21 HA ILE 21 -7.440 -11.608 9.783 153 HB ILE 21 HB ILE 21 -8.506 -10.180 8.048 154 HG12 ILE 21 1HG1 ILE 21 -5.669 -9.617 7.133 155 HG13 ILE 21 2HG1 ILE 21 -6.792 -10.653 6.254 156 HG21 ILE 21 1HG2 ILE 21 -7.759 -8.118 8.962 157 HG22 ILE 21 2HG2 ILE 21 -6.130 -8.737 9.233 158 HG23 ILE 21 3HG2 ILE 21 -7.469 -9.308 10.228 159 HD11 ILE 21 3HD1 ILE 21 -6.858 -8.406 5.302 160 HD12 ILE 21 1HD1 ILE 21 -7.183 -7.714 6.891 161 HD13 ILE 21 2HD1 ILE 21 -8.387 -8.740 6.114 162 H ARG 22 H ARG 22 -5.388 -12.898 7.481 163 HA ARG 22 HA ARG 22 -5.581 -14.580 5.866 164 HB2 ARG 22 1HB ARG 22 -7.826 -15.298 7.764 165 HB3 ARG 22 2HB ARG 22 -7.307 -16.337 6.436 166 HG2 ARG 22 1HG ARG 22 -5.016 -16.384 7.365 167 HG3 ARG 22 2HG ARG 22 -5.541 -15.358 8.702 168 HD2 ARG 22 1HD ARG 22 -7.174 -17.070 9.387 169 HD3 ARG 22 2HD ARG 22 -6.657 -18.105 8.056 170 HE ARG 22 HE ARG 22 -5.167 -17.606 10.551 171 HH11 ARG 22 1HH2 ARG 22 -5.164 -18.764 7.281 172 HH12 ARG 22 2HH2 ARG 22 -3.760 -19.754 7.510 173 HH21 ARG 22 1HH1 ARG 22 -3.349 -18.891 10.841 174 HH22 ARG 22 2HH1 ARG 22 -2.736 -19.823 9.516 175 H LYS 23 H LYS 23 -6.542 -12.292 4.892 176 HA LYS 23 HA LYS 23 -8.792 -13.200 3.179 177 HB2 LYS 23 1HB LYS 23 -8.811 -10.722 4.904 178 HB3 LYS 23 2HB LYS 23 -9.826 -10.867 3.466 179 HG2 LYS 23 1HG LYS 23 -10.844 -12.907 4.372 180 HG3 LYS 23 2HG LYS 23 -9.820 -12.799 5.801 181 HD2 LYS 23 1HD LYS 23 -10.809 -10.569 6.303 182 HD3 LYS 23 2HD LYS 23 -11.898 -10.776 4.930 183 HE2 LYS 23 1HE LYS 23 -11.731 -12.609 7.341 184 HE3 LYS 23 2HE LYS 23 -13.008 -11.433 7.030 185 HZ1 LYS 23 3HZ LYS 23 -14.030 -13.035 5.913 186 HZ2 LYS 23 1HZ LYS 23 -12.676 -14.054 5.970 187 HZ3 LYS 23 2HZ LYS 23 -12.820 -12.905 4.727 188 H TYR 24 H TYR 24 -9.155 -11.597 1.392 189 HA TYR 24 HA TYR 24 -6.544 -10.878 0.225 190 HB2 TYR 24 1HB TYR 24 -9.380 -11.100 -0.794 191 HB3 TYR 24 2HB TYR 24 -8.195 -10.186 -1.739 192 HD1 TYR 24 HD1 TYR 24 -7.544 -13.213 0.376 193 HD2 TYR 24 HD2 TYR 24 -7.855 -11.609 -3.597 194 HE1 TYR 24 HE1 TYR 24 -6.611 -15.292 -0.522 195 HE2 TYR 24 HE2 TYR 24 -6.914 -13.716 -4.504 196 HH TYR 24 HH TYR 24 -5.280 -15.898 -2.749 197 H VAL 25 H VAL 25 -5.725 -8.930 0.348 198 HA VAL 25 HA VAL 25 -7.486 -6.564 0.367 199 HB VAL 25 HB VAL 25 -5.884 -5.730 2.365 200 HG11 VAL 25 1HG1 VAL 25 -7.628 -6.424 3.947 201 HG12 VAL 25 2HG1 VAL 25 -8.231 -7.601 2.783 202 HG13 VAL 25 3HG1 VAL 25 -8.348 -5.877 2.434 203 HG21 VAL 25 3HG2 VAL 25 -6.094 -8.694 2.946 204 HG22 VAL 25 1HG2 VAL 25 -5.222 -7.465 3.861 205 HG23 VAL 25 2HG2 VAL 25 -4.639 -7.959 2.272 206 HA PRO 26 HA PRO 26 -4.306 -4.809 -2.109 207 HB2 PRO 26 1HB PRO 26 -4.248 -2.192 -1.104 208 HB3 PRO 26 2HB PRO 26 -5.421 -2.801 -2.287 209 HG2 PRO 26 1HG PRO 26 -5.722 -2.445 0.657 210 HG3 PRO 26 2HG PRO 26 -6.899 -2.179 -0.640 211 HD2 PRO 26 1HD PRO 26 -6.999 -4.368 0.922 212 HD3 PRO 26 2HD PRO 26 -7.451 -4.432 -0.792 213 H TYR 27 H TYR 27 -2.130 -4.755 -2.041 214 HA TYR 27 HA TYR 27 -0.736 -4.113 0.526 215 HB2 TYR 27 1HB TYR 27 -0.979 -6.560 0.427 216 HB3 TYR 27 2HB TYR 27 -0.267 -6.576 -1.188 217 HD1 TYR 27 HD1 TYR 27 0.384 -6.045 2.407 218 HD2 TYR 27 HD2 TYR 27 2.116 -6.208 -1.522 219 HE1 TYR 27 HE1 TYR 27 2.652 -6.121 3.409 220 HE2 TYR 27 HE2 TYR 27 4.382 -6.284 -0.519 221 HH TYR 27 HH TYR 27 4.988 -7.040 2.602 222 H ALA 28 H ALA 28 0.613 -2.514 0.055 223 HA ALA 28 HA ALA 28 2.186 -2.648 -2.495 224 HB1 ALA 28 3HB ALA 28 0.196 -0.956 -2.441 225 HB2 ALA 28 1HB ALA 28 1.760 -0.416 -3.040 226 HB3 ALA 28 2HB ALA 28 1.250 -0.003 -1.404 227 H LEU 29 H LEU 29 4.216 -1.623 -2.411 228 HA LEU 29 HA LEU 29 5.327 -1.336 0.357 229 HB2 LEU 29 1HB LEU 29 6.703 -1.977 -2.273 230 HB3 LEU 29 2HB LEU 29 7.513 -1.828 -0.714 231 HG LEU 29 HG LEU 29 5.190 -3.736 -1.002 232 HD11 LEU 29 1HD1 LEU 29 8.074 -4.312 -1.749 233 HD12 LEU 29 2HD1 LEU 29 6.699 -4.298 -2.854 234 HD13 LEU 29 3HD1 LEU 29 6.803 -5.524 -1.590 235 HD21 LEU 29 3HD2 LEU 29 6.107 -3.272 1.242 236 HD22 LEU 29 1HD2 LEU 29 7.720 -3.697 0.683 237 HD23 LEU 29 2HD2 LEU 29 6.462 -4.928 0.771 238 H ILE 30 H ILE 30 6.089 0.549 0.976 239 HA ILE 30 HA ILE 30 6.308 2.767 -1.032 240 HB ILE 30 HB ILE 30 5.872 2.883 1.974 241 HG12 ILE 30 1HG1 ILE 30 3.977 3.623 -0.272 242 HG13 ILE 30 2HG1 ILE 30 3.954 2.046 0.516 243 HG21 ILE 30 1HG2 ILE 30 6.048 5.007 -0.176 244 HG22 ILE 30 2HG2 ILE 30 7.096 4.830 1.230 245 HG23 ILE 30 3HG2 ILE 30 5.412 5.311 1.438 246 HD11 ILE 30 3HD1 ILE 30 3.746 4.639 2.060 247 HD12 ILE 30 1HD1 ILE 30 3.403 3.007 2.635 248 HD13 ILE 30 2HD1 ILE 30 2.332 3.773 1.460 249 H ARG 31 H ARG 31 8.253 3.561 -1.420 250 HA ARG 31 HA ARG 31 10.437 3.249 0.608 251 HB2 ARG 31 1HB ARG 31 10.616 2.598 -2.349 252 HB3 ARG 31 2HB ARG 31 11.996 2.693 -1.254 253 HG2 ARG 31 1HG ARG 31 11.078 0.899 0.124 254 HG3 ARG 31 2HG ARG 31 9.628 0.840 -0.877 255 HD2 ARG 31 1HD ARG 31 11.124 -0.956 -1.566 256 HD3 ARG 31 2HD ARG 31 11.066 0.257 -2.846 257 HE ARG 31 HE ARG 31 13.241 0.865 -1.082 258 HH11 ARG 31 1HH2 ARG 31 12.206 -1.430 -3.474 259 HH12 ARG 31 2HH2 ARG 31 13.822 -1.814 -3.970 260 HH21 ARG 31 1HH1 ARG 31 15.331 0.356 -1.736 261 HH22 ARG 31 2HH1 ARG 31 15.578 -0.810 -2.993 262 H LYS 32 H LYS 32 11.639 5.027 0.851 263 HA LYS 32 HA LYS 32 10.942 7.446 -0.682 264 HB2 LYS 32 1HB LYS 32 11.188 7.492 1.807 265 HB3 LYS 32 2HB LYS 32 12.901 7.114 1.610 266 HG2 LYS 32 1HG LYS 32 13.247 9.153 0.319 267 HG3 LYS 32 2HG LYS 32 11.522 9.516 0.379 268 HD2 LYS 32 1HD LYS 32 11.644 9.674 2.842 269 HD3 LYS 32 2HD LYS 32 13.372 9.334 2.775 270 HE2 LYS 32 1HE LYS 32 13.723 11.364 1.414 271 HE3 LYS 32 2HE LYS 32 11.993 11.706 1.481 272 HZ1 LYS 32 3HZ LYS 32 13.476 12.866 3.163 273 HZ2 LYS 32 1HZ LYS 32 13.605 11.361 3.934 274 HZ3 LYS 32 2HZ LYS 32 12.084 12.098 3.763 275 H VAL 33 H VAL 33 12.188 8.376 -2.164 276 HA VAL 33 HA VAL 33 14.340 6.945 -3.402 277 HB VAL 33 HB VAL 33 13.424 9.825 -3.704 278 HG11 VAL 33 1HG1 VAL 33 15.424 8.166 -5.255 279 HG12 VAL 33 2HG1 VAL 33 15.685 9.734 -4.492 280 HG13 VAL 33 3HG1 VAL 33 14.663 9.610 -5.924 281 HG21 VAL 33 3HG2 VAL 33 12.918 7.299 -5.312 282 HG22 VAL 33 1HG2 VAL 33 12.410 8.914 -5.804 283 HG23 VAL 33 2HG2 VAL 33 11.730 8.180 -4.352 284 H GLY 34 H GLY 34 16.470 7.050 -3.108 285 HA2 GLY 34 1HA GLY 34 18.574 7.924 -2.463 286 HA3 GLY 34 2HA GLY 34 17.760 9.309 -1.734 287 H VAL 35 H VAL 35 16.493 6.217 -0.936 288 HA VAL 35 HA VAL 35 18.139 5.968 1.520 289 HB VAL 35 HB VAL 35 15.114 6.065 1.694 290 HG11 VAL 35 1HG1 VAL 35 16.194 4.865 3.494 291 HG12 VAL 35 2HG1 VAL 35 15.695 6.436 4.118 292 HG13 VAL 35 3HG1 VAL 35 17.383 6.148 3.701 293 HG21 VAL 35 3HG2 VAL 35 15.812 8.281 0.995 294 HG22 VAL 35 1HG2 VAL 35 17.149 8.270 2.147 295 HG23 VAL 35 2HG2 VAL 35 15.488 8.339 2.727 296 HA PRO 36 HA PRO 36 16.676 1.943 -0.366 297 HB2 PRO 36 1HB PRO 36 19.076 0.994 -1.242 298 HB3 PRO 36 2HB PRO 36 18.070 2.085 -2.217 299 HG2 PRO 36 1HG PRO 36 20.503 2.693 -0.604 300 HG3 PRO 36 2HG PRO 36 19.988 3.354 -2.165 301 HD2 PRO 36 1HD PRO 36 19.655 4.657 0.281 302 HD3 PRO 36 2HD PRO 36 18.703 5.003 -1.178 303 H ASP 37 H ASP 37 18.052 -0.283 0.021 304 HA ASP 37 HA ASP 37 18.321 -1.851 1.765 305 HB2 ASP 37 1HB ASP 37 20.613 -1.121 1.099 306 HB3 ASP 37 2HB ASP 37 20.581 0.059 2.411 307 H ARG 38 H ARG 38 16.483 -1.529 3.013 308 HA ARG 38 HA ARG 38 16.962 -0.666 5.730 309 HB2 ARG 38 1HB ARG 38 14.942 1.015 5.578 310 HB3 ARG 38 2HB ARG 38 16.554 1.554 5.120 311 HG2 ARG 38 1HG ARG 38 14.927 2.250 3.431 312 HG3 ARG 38 2HG ARG 38 16.023 1.066 2.739 313 HD2 ARG 38 1HD ARG 38 13.447 0.118 3.978 314 HD3 ARG 38 2HD ARG 38 13.425 0.808 2.359 315 HE ARG 38 HE ARG 38 15.498 -1.134 2.461 316 HH11 ARG 38 1HH2 ARG 38 12.046 -0.861 2.635 317 HH12 ARG 38 2HH2 ARG 38 11.772 -2.422 1.937 318 HH21 ARG 38 1HH1 ARG 38 15.137 -3.156 1.561 319 HH22 ARG 38 2HH1 ARG 38 13.514 -3.713 1.330 320 H THR 39 H THR 39 14.538 -0.459 6.765 321 HA THR 39 HA THR 39 13.434 -3.097 6.358 322 HB THR 39 HB THR 39 12.408 -0.950 8.213 323 HG1 THR 39 HG1 THR 39 14.032 -3.031 9.074 324 HG21 THR 39 3HG2 THR 39 10.923 -2.922 7.779 325 HG22 THR 39 1HG2 THR 39 11.476 -2.825 9.451 326 HG23 THR 39 2HG2 THR 39 12.223 -3.974 8.342 327 HA PRO 40 HA PRO 40 10.345 -1.533 3.492 328 HB2 PRO 40 1HB PRO 40 8.841 -3.803 3.251 329 HB3 PRO 40 2HB PRO 40 10.446 -3.629 2.513 330 HG2 PRO 40 1HG PRO 40 9.677 -5.014 5.048 331 HG3 PRO 40 2HG PRO 40 10.803 -5.534 3.778 332 HD2 PRO 40 1HD PRO 40 11.624 -4.407 6.114 333 HD3 PRO 40 2HD PRO 40 12.530 -4.240 4.588 334 H ILE 41 H ILE 41 8.527 -0.397 3.811 335 HA ILE 41 HA ILE 41 6.819 -1.015 6.195 336 HB ILE 41 HB ILE 41 7.202 1.656 4.854 337 HG12 ILE 41 1HG1 ILE 41 9.298 1.011 5.915 338 HG13 ILE 41 2HG1 ILE 41 8.500 2.194 6.949 339 HG21 ILE 41 1HG2 ILE 41 5.901 0.817 7.465 340 HG22 ILE 41 2HG2 ILE 41 5.045 1.334 6.013 341 HG23 ILE 41 3HG2 ILE 41 6.059 2.475 6.891 342 HD11 ILE 41 3HD1 ILE 41 7.481 0.078 8.136 343 HD12 ILE 41 1HD1 ILE 41 9.141 0.547 8.486 344 HD13 ILE 41 2HD1 ILE 41 8.819 -0.766 7.364 345 HA PRO 42 HA PRO 42 4.252 -1.669 2.404 346 HB2 PRO 42 1HB PRO 42 2.808 -3.785 3.432 347 HB3 PRO 42 2HB PRO 42 4.357 -3.959 2.593 348 HG2 PRO 42 1HG PRO 42 3.769 -4.017 5.506 349 HG3 PRO 42 2HG PRO 42 4.969 -4.933 4.578 350 HD2 PRO 42 1HD PRO 42 5.557 -2.736 6.119 351 HD3 PRO 42 2HD PRO 42 6.557 -3.267 4.751 352 H THR 43 H THR 43 2.192 -0.957 2.021 353 HA THR 43 HA THR 43 0.698 0.134 4.374 354 HB THR 43 HB THR 43 1.261 1.878 2.839 355 HG1 THR 43 HG1 THR 43 -1.087 1.930 1.781 356 HG21 THR 43 3HG2 THR 43 0.606 1.744 0.429 357 HG22 THR 43 1HG2 THR 43 0.167 0.056 0.678 358 HG23 THR 43 2HG2 THR 43 1.842 0.571 0.875 359 H THR 44 H THR 44 -1.275 -0.537 4.813 360 HA THR 44 HA THR 44 -2.738 -2.286 2.877 361 HB THR 44 HB THR 44 -3.119 -3.954 4.479 362 HG1 THR 44 HG1 THR 44 -2.228 -3.302 6.745 363 HG21 THR 44 3HG2 THR 44 -0.935 -4.566 5.369 364 HG22 THR 44 1HG2 THR 44 -0.362 -2.911 5.177 365 HG23 THR 44 2HG2 THR 44 -0.741 -3.883 3.755 366 H TYR 45 H TYR 45 -5.036 -2.548 3.552 367 HA TYR 45 HA TYR 45 -6.042 -0.136 4.985 368 HB2 TYR 45 1HB TYR 45 -6.369 -0.760 2.242 369 HB3 TYR 45 2HB TYR 45 -7.933 -1.114 2.969 370 HD1 TYR 45 HD1 TYR 45 -5.233 1.481 3.319 371 HD2 TYR 45 HD2 TYR 45 -9.440 0.668 3.021 372 HE1 TYR 45 HE1 TYR 45 -5.711 3.910 3.455 373 HE2 TYR 45 HE2 TYR 45 -9.918 3.094 3.151 374 HH TYR 45 HH TYR 45 -8.531 5.271 2.557 375 HA PRO 46 HA PRO 46 -8.296 -3.082 7.418 376 HB2 PRO 46 1HB PRO 46 -10.346 -1.475 8.321 377 HB3 PRO 46 2HB PRO 46 -8.683 -1.365 8.926 378 HG2 PRO 46 1HG PRO 46 -10.082 0.353 6.924 379 HG3 PRO 46 2HG PRO 46 -8.947 0.810 8.208 380 HD2 PRO 46 1HD PRO 46 -8.209 0.583 5.581 381 HD3 PRO 46 2HD PRO 46 -7.094 0.305 6.939 382 H GLU 47 H GLU 47 -9.603 -1.602 4.645 383 HA GLU 47 HA GLU 47 -12.233 -2.862 4.717 384 HB2 GLU 47 1HB GLU 47 -10.693 -1.569 2.439 385 HB3 GLU 47 2HB GLU 47 -12.378 -2.080 2.350 386 HG2 GLU 47 1HG GLU 47 -11.325 -0.090 4.377 387 HG3 GLU 47 2HG GLU 47 -12.084 0.369 2.854 388 H PHE 48 H PHE 48 -12.733 -4.101 2.495 389 HA PHE 48 HA PHE 48 -10.648 -6.237 2.139 390 HB2 PHE 48 1HB PHE 48 -13.638 -6.727 2.311 391 HB3 PHE 48 2HB PHE 48 -12.354 -7.932 2.226 392 HD1 PHE 48 HD1 PHE 48 -10.830 -8.297 4.139 393 HD2 PHE 48 HD2 PHE 48 -14.137 -5.567 4.378 394 HE1 PHE 48 HE1 PHE 48 -10.621 -8.255 6.611 395 HE2 PHE 48 HE2 PHE 48 -13.928 -5.527 6.848 396 HZ PHE 48 HZ PHE 48 -12.168 -6.870 7.964 397 H TYR 49 H TYR 49 -10.545 -7.148 0.119 398 HA TYR 49 HA TYR 49 -12.417 -6.287 -2.006 399 HB2 TYR 49 1HB TYR 49 -9.473 -5.590 -1.979 400 HB3 TYR 49 2HB TYR 49 -10.444 -5.604 -3.451 401 HD1 TYR 49 HD2 TYR 49 -12.483 -4.137 -3.606 402 HD2 TYR 49 HD1 TYR 49 -9.631 -3.786 -0.419 403 HE1 TYR 49 HE2 TYR 49 -13.352 -1.877 -3.075 404 HE2 TYR 49 HE1 TYR 49 -10.489 -1.528 0.109 405 HH TYR 49 HH TYR 49 -13.138 -0.393 -0.476 406 H ASP 50 H ASP 50 -12.971 -8.375 -2.396 407 HA ASP 50 HA ASP 50 -11.097 -10.575 -2.602 408 HB2 ASP 50 1HB ASP 50 -13.983 -10.214 -3.475 409 HB3 ASP 50 2HB ASP 50 -13.101 -11.727 -3.688 410 H LEU 51 H LEU 51 -12.078 -8.032 -4.685 411 HA LEU 51 HA LEU 51 -11.314 -9.457 -7.171 412 HB2 LEU 51 1HB LEU 51 -12.168 -6.570 -6.762 413 HB3 LEU 51 2HB LEU 51 -12.039 -7.416 -8.302 414 HG LEU 51 HG LEU 51 -13.918 -8.162 -6.042 415 HD11 LEU 51 1HD1 LEU 51 -14.375 -6.812 -8.717 416 HD12 LEU 51 2HD1 LEU 51 -14.681 -6.132 -7.118 417 HD13 LEU 51 3HD1 LEU 51 -15.670 -7.465 -7.714 418 HD21 LEU 51 3HD2 LEU 51 -13.255 -9.399 -8.713 419 HD22 LEU 51 1HD2 LEU 51 -14.879 -9.577 -8.045 420 HD23 LEU 51 2HD2 LEU 51 -13.492 -10.185 -7.150 421 H GLU 52 H GLU 52 -9.393 -9.271 -8.111 422 HA GLU 52 HA GLU 52 -7.167 -8.056 -6.755 423 HB2 GLU 52 1HB GLU 52 -6.958 -10.032 -8.272 424 HB3 GLU 52 2HB GLU 52 -7.350 -8.994 -9.646 425 HG2 GLU 52 1HG GLU 52 -5.381 -7.599 -9.182 426 HG3 GLU 52 2HG GLU 52 -5.008 -8.577 -7.767 427 H ALA 53 H ALA 53 -9.136 -7.116 -9.548 428 HA ALA 53 HA ALA 53 -7.635 -4.884 -10.440 429 HB1 ALA 53 3HB ALA 53 -10.659 -5.208 -10.422 430 HB2 ALA 53 1HB ALA 53 -9.578 -5.841 -11.663 431 HB3 ALA 53 2HB ALA 53 -9.745 -4.100 -11.444 432 H ASP 54 H ASP 54 -10.336 -4.980 -8.110 433 HA ASP 54 HA ASP 54 -10.278 -2.190 -7.466 434 HB2 ASP 54 1HB ASP 54 -11.239 -4.610 -5.908 435 HB3 ASP 54 2HB ASP 54 -11.451 -2.957 -5.340 436 H ALA 55 H ALA 55 -8.623 -5.004 -6.106 437 HA ALA 55 HA ALA 55 -7.462 -3.749 -3.826 438 HB1 ALA 55 3HB ALA 55 -7.352 -6.135 -3.955 439 HB2 ALA 55 1HB ALA 55 -5.684 -5.587 -4.118 440 HB3 ALA 55 2HB ALA 55 -6.590 -6.090 -5.545 441 H GLU 56 H GLU 56 -6.314 -4.079 -7.168 442 HA GLU 56 HA GLU 56 -3.761 -2.817 -6.738 443 HB2 GLU 56 1HB GLU 56 -5.453 -3.178 -9.238 444 HB3 GLU 56 2HB GLU 56 -3.814 -2.528 -9.255 445 HG2 GLU 56 1HG GLU 56 -4.554 -5.235 -8.109 446 HG3 GLU 56 2HG GLU 56 -3.905 -4.990 -9.730 447 H ARG 57 H ARG 57 -6.870 -1.593 -7.992 448 HA ARG 57 HA ARG 57 -5.995 1.107 -8.402 449 HB2 ARG 57 1HB ARG 57 -8.737 -0.091 -7.898 450 HB3 ARG 57 2HB ARG 57 -8.490 1.620 -8.247 451 HG2 ARG 57 1HG ARG 57 -7.432 1.066 -10.383 452 HG3 ARG 57 2HG ARG 57 -7.576 -0.655 -10.031 453 HD2 ARG 57 1HD ARG 57 -9.391 0.053 -11.527 454 HD3 ARG 57 2HD ARG 57 -10.042 -0.423 -9.958 455 HE ARG 57 HE ARG 57 -10.631 1.846 -9.543 456 HH11 ARG 57 1HH2 ARG 57 -8.644 1.491 -12.366 457 HH12 ARG 57 2HH2 ARG 57 -8.925 3.113 -12.907 458 HH21 ARG 57 1HH1 ARG 57 -10.990 3.943 -10.255 459 HH22 ARG 57 2HH1 ARG 57 -10.245 4.493 -11.718 460 H VAL 58 H VAL 58 -7.590 -0.486 -5.664 461 HA VAL 58 HA VAL 58 -7.768 1.867 -4.019 462 HB VAL 58 HB VAL 58 -7.788 -1.090 -3.330 463 HG11 VAL 58 1HG1 VAL 58 -8.822 -0.206 -1.158 464 HG12 VAL 58 2HG1 VAL 58 -8.186 1.373 -1.619 465 HG13 VAL 58 3HG1 VAL 58 -7.084 0.027 -1.340 466 HG21 VAL 58 3HG2 VAL 58 -10.053 0.920 -3.275 467 HG22 VAL 58 1HG2 VAL 58 -10.164 -0.841 -3.249 468 HG23 VAL 58 2HG2 VAL 58 -9.664 -0.009 -4.723 469 H SER 59 H SER 59 -5.361 -0.729 -4.319 470 HA SER 59 HA SER 59 -3.712 -0.112 -2.123 471 HB2 SER 59 1HB SER 59 -2.949 -1.097 -4.895 472 HB3 SER 59 2HB SER 59 -1.838 -1.051 -3.535 473 HG SER 59 HG SER 59 -3.820 -2.814 -4.113 474 H ILE 60 H ILE 60 -3.644 1.259 -5.413 475 HA ILE 60 HA ILE 60 -1.421 3.028 -4.954 476 HB ILE 60 HB ILE 60 -3.726 3.165 -6.935 477 HG12 ILE 60 1HG1 ILE 60 -0.813 2.449 -7.372 478 HG13 ILE 60 2HG1 ILE 60 -2.055 1.241 -7.046 479 HG21 ILE 60 1HG2 ILE 60 -2.119 4.733 -8.158 480 HG22 ILE 60 2HG2 ILE 60 -1.231 4.851 -6.639 481 HG23 ILE 60 3HG2 ILE 60 -2.903 5.403 -6.728 482 HD11 ILE 60 3HD1 ILE 60 -1.751 1.440 -9.457 483 HD12 ILE 60 1HD1 ILE 60 -2.003 3.183 -9.375 484 HD13 ILE 60 2HD1 ILE 60 -3.334 2.083 -9.021 485 H ALA 61 H ALA 61 -4.937 3.466 -4.736 486 HA ALA 61 HA ALA 61 -4.914 6.247 -4.052 487 HB1 ALA 61 3HB ALA 61 -7.221 5.909 -3.390 488 HB2 ALA 61 1HB ALA 61 -6.966 4.173 -3.211 489 HB3 ALA 61 2HB ALA 61 -6.920 4.911 -4.812 490 H CYS 62 H CYS 62 -4.833 3.299 -2.073 491 HA CYS 62 HA CYS 62 -5.020 4.624 0.477 492 HB2 CYS 62 1HB CYS 62 -3.811 1.943 -0.283 493 HB3 CYS 62 2HB CYS 62 -4.104 2.475 1.373 494 HG CYS 62 HG CYS 62 -6.441 1.736 1.098 495 H ALA 63 H ALA 63 -2.236 3.362 -1.361 496 HA ALA 63 HA ALA 63 -0.132 3.957 0.344 497 HB1 ALA 63 3HB ALA 63 -0.095 4.572 -2.628 498 HB2 ALA 63 1HB ALA 63 0.040 2.941 -1.969 499 HB3 ALA 63 2HB ALA 63 1.281 4.142 -1.613 500 H LYS 64 H LYS 64 -1.749 6.206 -1.889 501 HA LYS 64 HA LYS 64 -0.140 8.496 -1.220 502 HB2 LYS 64 1HB LYS 64 -2.971 8.277 -2.302 503 HB3 LYS 64 2HB LYS 64 -2.088 9.798 -2.165 504 HG2 LYS 64 1HG LYS 64 -0.304 8.893 -3.617 505 HG3 LYS 64 2HG LYS 64 -1.204 7.384 -3.775 506 HD2 LYS 64 1HD LYS 64 -3.078 8.580 -4.812 507 HD3 LYS 64 2HD LYS 64 -2.230 10.113 -4.610 508 HE2 LYS 64 1HE LYS 64 -1.924 9.310 -6.900 509 HE3 LYS 64 2HE LYS 64 -0.385 9.249 -6.043 510 HZ1 LYS 64 3HZ LYS 64 -1.760 6.839 -5.623 511 HZ2 LYS 64 1HZ LYS 64 -0.283 7.085 -6.418 512 HZ3 LYS 64 2HZ LYS 64 -1.738 7.157 -7.291 513 H ILE 65 H ILE 65 -3.199 7.236 0.058 514 HA ILE 65 HA ILE 65 -3.747 9.400 1.862 515 HB ILE 65 HB ILE 65 -4.574 6.480 1.893 516 HG12 ILE 65 1HG1 ILE 65 -6.170 8.972 1.230 517 HG13 ILE 65 2HG1 ILE 65 -5.333 8.013 0.009 518 HG21 ILE 65 1HG2 ILE 65 -4.794 7.195 4.153 519 HG22 ILE 65 2HG2 ILE 65 -6.401 7.395 3.454 520 HG23 ILE 65 3HG2 ILE 65 -5.352 8.797 3.673 521 HD11 ILE 65 3HD1 ILE 65 -6.737 6.161 0.319 522 HD12 ILE 65 1HD1 ILE 65 -7.852 7.508 0.509 523 HD13 ILE 65 2HD1 ILE 65 -7.231 6.674 1.932 524 H ILE 66 H ILE 66 -2.066 6.301 2.299 525 HA ILE 66 HA ILE 66 -1.555 6.601 5.095 526 HB ILE 66 HB ILE 66 -0.329 4.955 2.877 527 HG12 ILE 66 1HG1 ILE 66 -1.083 3.123 4.571 528 HG13 ILE 66 2HG1 ILE 66 -1.981 4.412 5.355 529 HG21 ILE 66 1HG2 ILE 66 1.621 5.347 4.150 530 HG22 ILE 66 2HG2 ILE 66 1.006 3.818 4.780 531 HG23 ILE 66 3HG2 ILE 66 0.737 5.315 5.675 532 HD11 ILE 66 3HD1 ILE 66 -3.389 3.213 3.739 533 HD12 ILE 66 1HD1 ILE 66 -2.247 3.591 2.456 534 HD13 ILE 66 2HD1 ILE 66 -3.158 4.885 3.237 535 H ILE 67 H ILE 67 0.396 7.449 2.249 536 HA ILE 67 HA ILE 67 2.661 8.404 3.725 537 HB ILE 67 HB ILE 67 1.638 9.108 0.950 538 HG12 ILE 67 1HG1 ILE 67 3.995 7.392 1.785 539 HG13 ILE 67 2HG1 ILE 67 2.390 6.724 1.493 540 HG21 ILE 67 1HG2 ILE 67 4.093 9.854 0.673 541 HG22 ILE 67 2HG2 ILE 67 4.156 9.885 2.435 542 HG23 ILE 67 3HG2 ILE 67 3.029 10.933 1.576 543 HD11 ILE 67 3HD1 ILE 67 3.725 8.462 -0.579 544 HD12 ILE 67 1HD1 ILE 67 2.442 7.272 -0.796 545 HD13 ILE 67 2HD1 ILE 67 4.094 6.742 -0.475 546 H ASP 68 H ASP 68 -0.204 10.069 2.411 547 HA ASP 68 HA ASP 68 0.559 12.707 3.277 548 HB2 ASP 68 1HB ASP 68 -2.125 11.461 2.611 549 HB3 ASP 68 2HB ASP 68 -1.948 13.159 3.055 550 H SER 69 H SER 69 -1.462 10.172 4.725 551 HA SER 69 HA SER 69 -2.222 11.653 7.065 552 HB2 SER 69 1HB SER 69 -2.786 9.418 8.000 553 HB3 SER 69 2HB SER 69 -3.416 9.620 6.369 554 HG SER 69 HG SER 69 -1.846 8.309 5.600 555 H HIS 70 H HIS 70 0.507 9.547 6.308 556 HA HIS 70 HA HIS 70 1.627 9.295 8.905 557 HB2 HIS 70 1HB HIS 70 2.453 7.981 7.011 558 HB3 HIS 70 2HB HIS 70 3.009 9.447 6.200 559 HD1 HIS 70 HD1 HIS 70 3.620 7.538 9.447 560 HD2 HIS 70 HD2 HIS 70 5.588 10.180 6.892 561 HE1 HIS 70 HE1 HIS 70 5.988 7.757 10.322 562 H LEU 71 H LEU 71 2.005 11.814 6.447 563 HA LEU 71 HA LEU 71 3.993 13.355 7.815 564 HB2 LEU 71 1HB LEU 71 1.842 14.162 5.826 565 HB3 LEU 71 2HB LEU 71 3.121 15.244 6.370 566 HG LEU 71 HG LEU 71 3.663 12.540 5.109 567 HD11 LEU 71 1HD1 LEU 71 3.721 15.271 3.790 568 HD12 LEU 71 2HD1 LEU 71 2.469 14.057 3.529 569 HD13 LEU 71 3HD1 LEU 71 4.129 13.734 3.028 570 HD21 LEU 71 3HD2 LEU 71 5.895 13.869 4.648 571 HD22 LEU 71 1HD2 LEU 71 5.619 13.175 6.238 572 HD23 LEU 71 2HD2 LEU 71 5.348 14.895 5.970 573 H ASP 72 H ASP 72 0.454 13.443 7.868 574 HA ASP 72 HA ASP 72 0.548 15.498 10.047 575 HB2 ASP 72 1HB ASP 72 -1.686 14.470 8.264 576 HB3 ASP 72 2HB ASP 72 -1.965 15.541 9.638 577 H ARG 73 H ARG 73 -1.680 12.794 9.392 578 HA ARG 73 HA ARG 73 -1.838 12.212 12.278 579 HB2 ARG 73 1HB ARG 73 -3.240 10.948 9.893 580 HB3 ARG 73 2HB ARG 73 -3.599 10.600 11.582 581 HG2 ARG 73 1HG ARG 73 -4.257 12.903 11.978 582 HG3 ARG 73 2HG ARG 73 -3.780 13.353 10.341 583 HD2 ARG 73 1HD ARG 73 -6.195 13.054 10.380 584 HD3 ARG 73 2HD ARG 73 -5.484 11.730 9.459 585 HE ARG 73 HE ARG 73 -5.739 10.946 12.208 586 HH11 ARG 73 1HH2 ARG 73 -7.580 11.581 9.330 587 HH12 ARG 73 2HH2 ARG 73 -8.873 10.524 9.786 588 HH21 ARG 73 1HH1 ARG 73 -7.427 9.582 12.788 589 HH22 ARG 73 2HH1 ARG 73 -8.787 9.399 11.734 590 H HIS 74 H HIS 74 -2.391 9.443 12.022 591 HA HIS 74 HA HIS 74 -1.158 7.507 12.513 592 HB2 HIS 74 1HB HIS 74 -1.742 7.360 10.100 593 HB3 HIS 74 2HB HIS 74 -0.182 8.078 9.705 594 HD1 HIS 74 HD1 HIS 74 1.938 6.620 10.073 595 HD2 HIS 74 HD2 HIS 74 -1.619 4.681 11.053 596 HE1 HIS 74 HE1 HIS 74 2.519 4.174 10.393 597 H ASP 75 H ASP 75 0.245 8.223 14.139 598 HA ASP 75 HA ASP 75 2.749 9.564 13.589 599 HB2 ASP 75 1HB ASP 75 1.635 8.110 16.002 600 HB3 ASP 75 2HB ASP 75 3.292 8.717 15.986 601 H GLN 76 H GLN 76 4.761 8.728 13.376 602 HA GLN 76 HA GLN 76 6.407 7.211 12.754 603 HB2 GLN 76 1HB GLN 76 6.079 6.426 15.063 604 HB3 GLN 76 2HB GLN 76 4.796 5.348 14.517 605 HG2 GLN 76 1HG GLN 76 6.348 4.108 13.125 606 HG3 GLN 76 2HG GLN 76 7.642 5.250 13.489 607 HE21 GLN 76 2HE2 GLN 76 9.031 4.493 15.076 608 HE22 GLN 76 1HE2 GLN 76 8.597 3.460 16.350 609 H GLY 77 H GLY 77 6.834 5.516 11.306 610 HA2 GLY 77 1HA GLY 77 5.380 3.513 10.230 611 HA3 GLY 77 2HA GLY 77 4.582 4.903 9.495 612 H LEU 78 H LEU 78 6.261 6.545 8.556 613 HA LEU 78 HA LEU 78 8.054 4.995 6.753 614 HB2 LEU 78 1HB LEU 78 7.182 7.912 6.638 615 HB3 LEU 78 2HB LEU 78 8.093 7.053 5.397 616 HG LEU 78 HG LEU 78 5.309 6.282 6.332 617 HD11 LEU 78 1HD1 LEU 78 5.298 8.416 5.103 618 HD12 LEU 78 2HD1 LEU 78 4.589 7.134 4.120 619 HD13 LEU 78 3HD1 LEU 78 6.234 7.681 3.801 620 HD21 LEU 78 3HD2 LEU 78 5.508 4.978 4.059 621 HD22 LEU 78 1HD2 LEU 78 6.282 4.310 5.489 622 HD23 LEU 78 2HD2 LEU 78 7.242 5.175 4.293 623 H ALA 79 H ALA 79 8.421 6.093 9.682 624 HA ALA 79 HA ALA 79 10.593 7.952 9.646 625 HB1 ALA 79 3HB ALA 79 9.926 5.779 11.671 626 HB2 ALA 79 1HB ALA 79 9.315 7.434 11.693 627 HB3 ALA 79 2HB ALA 79 11.031 7.125 11.951 628 H ASP 80 H ASP 80 10.491 4.406 9.550 629 HA ASP 80 HA ASP 80 13.325 3.969 9.754 630 HB2 ASP 80 1HB ASP 80 11.000 2.348 8.681 631 HB3 ASP 80 2HB ASP 80 12.652 1.762 8.485 632 H LEU 81 H LEU 81 11.162 4.599 7.044 633 HA LEU 81 HA LEU 81 13.310 4.235 5.049 634 HB2 LEU 81 1HB LEU 81 10.475 5.309 4.744 635 HB3 LEU 81 2HB LEU 81 11.557 4.847 3.433 636 HG LEU 81 HG LEU 81 10.568 2.972 5.603 637 HD11 LEU 81 1HD1 LEU 81 8.688 3.364 4.240 638 HD12 LEU 81 2HD1 LEU 81 9.408 1.929 3.517 639 HD13 LEU 81 3HD1 LEU 81 9.659 3.511 2.779 640 HD21 LEU 81 3HD2 LEU 81 11.482 1.303 3.772 641 HD22 LEU 81 1HD2 LEU 81 12.601 2.059 4.904 642 HD23 LEU 81 2HD2 LEU 81 12.446 2.691 3.264 643 H GLY 82 H GLY 82 12.406 6.638 7.182 644 HA2 GLY 82 1HA GLY 82 13.164 8.892 5.376 645 HA3 GLY 82 2HA GLY 82 12.439 9.048 6.974 Start of MODEL 15 1 H1 MET 1 1H MET 1 7.881 -2.253 -15.698 2 H2 MET 1 2H MET 1 6.460 -2.505 -14.802 3 H3 MET 1 3H MET 1 7.869 -3.379 -14.431 4 HA MET 1 HA MET 1 7.862 -1.777 -12.791 5 HB2 MET 1 1HB MET 1 9.426 -0.734 -15.166 6 HB3 MET 1 2HB MET 1 9.583 -0.076 -13.537 7 HG2 MET 1 1HG MET 1 10.208 -2.318 -12.697 8 HG3 MET 1 2HG MET 1 10.082 -2.962 -14.333 9 HE1 MET 1 3HE MET 1 11.630 -2.825 -16.083 10 HE2 MET 1 1HE MET 1 13.025 -1.751 -16.247 11 HE3 MET 1 2HE MET 1 11.394 -1.099 -16.351 12 H ASN 2 H ASN 2 5.592 -1.060 -12.794 13 HA ASN 2 HA ASN 2 5.198 1.642 -14.053 14 HB2 ASN 2 1HB ASN 2 2.778 1.148 -13.917 15 HB3 ASN 2 2HB ASN 2 3.625 -0.046 -14.900 16 HD21 ASN 2 2HD2 ASN 2 2.218 -1.839 -14.463 17 HD22 ASN 2 1HD2 ASN 2 2.046 -2.513 -12.915 18 H VAL 3 H VAL 3 6.596 1.534 -11.677 19 HA VAL 3 HA VAL 3 4.821 1.763 -9.384 20 HB VAL 3 HB VAL 3 6.881 2.616 -8.235 21 HG11 VAL 3 1HG1 VAL 3 7.004 0.085 -9.887 22 HG12 VAL 3 2HG1 VAL 3 6.561 0.253 -8.189 23 HG13 VAL 3 3HG1 VAL 3 8.235 0.486 -8.690 24 HG21 VAL 3 3HG2 VAL 3 9.005 2.529 -9.553 25 HG22 VAL 3 1HG2 VAL 3 7.907 3.785 -10.122 26 HG23 VAL 3 2HG2 VAL 3 8.053 2.272 -11.014 27 H ALA 4 H ALA 4 3.901 3.620 -8.551 28 HA ALA 4 HA ALA 4 4.137 6.080 -10.208 29 HB1 ALA 4 3HB ALA 4 2.259 5.474 -7.905 30 HB2 ALA 4 1HB ALA 4 1.882 5.188 -9.604 31 HB3 ALA 4 2HB ALA 4 2.147 6.831 -9.024 32 H HIS 5 H HIS 5 4.294 8.187 -9.026 33 HA HIS 5 HA HIS 5 6.037 7.965 -6.586 34 HB2 HIS 5 1HB HIS 5 6.105 10.241 -8.574 35 HB3 HIS 5 2HB HIS 5 7.313 9.804 -7.365 36 HD1 HIS 5 HD1 HIS 5 7.629 9.950 -10.621 37 HD2 HIS 5 HD2 HIS 5 7.418 6.539 -8.234 38 HE1 HIS 5 HE1 HIS 5 8.721 8.086 -11.942 39 H TYR 6 H TYR 6 5.599 9.390 -4.893 40 HA TYR 6 HA TYR 6 3.536 11.473 -5.231 41 HB2 TYR 6 1HB TYR 6 2.251 9.378 -4.775 42 HB3 TYR 6 2HB TYR 6 3.133 9.205 -3.257 43 HD1 TYR 6 HD2 TYR 6 0.999 11.609 -5.171 44 HD2 TYR 6 HD1 TYR 6 2.369 10.309 -1.312 45 HE1 TYR 6 HE2 TYR 6 -0.592 13.166 -4.079 46 HE2 TYR 6 HE1 TYR 6 0.778 11.867 -0.222 47 HH TYR 6 HH TYR 6 -1.505 13.801 -2.146 48 H ARG 7 H ARG 7 4.347 13.183 -4.167 49 HA ARG 7 HA ARG 7 5.593 14.445 -2.632 50 HB2 ARG 7 1HB ARG 7 4.773 12.219 -0.743 51 HB3 ARG 7 2HB ARG 7 5.245 13.854 -0.290 52 HG2 ARG 7 1HG ARG 7 2.881 13.272 -2.090 53 HG3 ARG 7 2HG ARG 7 2.735 13.392 -0.339 54 HD2 ARG 7 1HD ARG 7 3.720 15.691 -0.462 55 HD3 ARG 7 2HD ARG 7 3.696 15.574 -2.218 56 HE ARG 7 HE ARG 7 1.335 15.863 -0.471 57 HH11 ARG 7 1HH2 ARG 7 2.658 15.176 -3.593 58 HH12 ARG 7 2HH2 ARG 7 1.206 15.589 -4.438 59 HH21 ARG 7 1HH1 ARG 7 -0.559 16.403 -1.568 60 HH22 ARG 7 2HH1 ARG 7 -0.612 16.281 -3.296 61 H GLY 8 H GLY 8 7.039 12.355 -4.147 62 HA2 GLY 8 1HA GLY 8 9.373 11.890 -4.173 63 HA3 GLY 8 2HA GLY 8 9.467 12.366 -2.480 64 H TYR 9 H TYR 9 6.894 10.258 -2.789 65 HA TYR 9 HA TYR 9 8.590 7.960 -1.880 66 HB2 TYR 9 1HB TYR 9 5.675 8.618 -1.412 67 HB3 TYR 9 2HB TYR 9 6.429 7.101 -0.922 68 HD1 TYR 9 HD2 TYR 9 6.584 10.789 -0.504 69 HD2 TYR 9 HD1 TYR 9 7.769 6.970 1.050 70 HE1 TYR 9 HE2 TYR 9 7.437 11.894 1.545 71 HE2 TYR 9 HE1 TYR 9 8.628 8.072 3.100 72 HH TYR 9 HH TYR 9 8.079 10.316 4.345 73 H GLU 10 H GLU 10 8.562 6.064 -3.029 74 HA GLU 10 HA GLU 10 7.090 6.072 -5.603 75 HB2 GLU 10 1HB GLU 10 9.183 4.209 -4.438 76 HB3 GLU 10 2HB GLU 10 8.429 3.980 -6.017 77 HG2 GLU 10 1HG GLU 10 9.269 6.141 -6.776 78 HG3 GLU 10 2HG GLU 10 9.945 6.468 -5.180 79 H ILE 11 H ILE 11 5.534 4.504 -6.129 80 HA ILE 11 HA ILE 11 4.510 2.846 -3.838 81 HB ILE 11 HB ILE 11 2.994 4.177 -6.104 82 HG12 ILE 11 1HG1 ILE 11 2.781 4.623 -3.114 83 HG13 ILE 11 2HG1 ILE 11 3.801 5.611 -4.160 84 HG21 ILE 11 1HG2 ILE 11 2.153 2.261 -3.924 85 HG22 ILE 11 2HG2 ILE 11 1.887 2.118 -5.661 86 HG23 ILE 11 3HG2 ILE 11 1.002 3.327 -4.731 87 HD11 ILE 11 3HD1 ILE 11 1.891 6.325 -5.461 88 HD12 ILE 11 1HD1 ILE 11 1.510 6.581 -3.758 89 HD13 ILE 11 2HD1 ILE 11 0.834 5.195 -4.614 90 H GLU 12 H GLU 12 4.480 0.706 -4.194 91 HA GLU 12 HA GLU 12 4.620 -0.325 -7.011 92 HB2 GLU 12 1HB GLU 12 6.738 -0.576 -5.625 93 HB3 GLU 12 2HB GLU 12 5.818 -1.655 -4.574 94 HG2 GLU 12 1HG GLU 12 5.264 -3.054 -6.572 95 HG3 GLU 12 2HG GLU 12 6.322 -2.027 -7.541 96 HA PRO 13 HA PRO 13 0.902 -2.091 -4.944 97 HB2 PRO 13 1HB PRO 13 -0.747 -2.188 -7.095 98 HB3 PRO 13 2HB PRO 13 -0.437 -0.681 -6.207 99 HG2 PRO 13 1HG PRO 13 0.718 -1.624 -8.793 100 HG3 PRO 13 2HG PRO 13 0.194 0.003 -8.318 101 HD2 PRO 13 1HD PRO 13 2.836 -0.842 -8.311 102 HD3 PRO 13 2HD PRO 13 2.225 0.499 -7.317 103 H GLY 14 H GLY 14 -0.242 -4.148 -5.216 104 HA2 GLY 14 1HA GLY 14 0.332 -6.076 -7.224 105 HA3 GLY 14 2HA GLY 14 1.467 -6.319 -5.892 106 H HIS 15 H HIS 15 -0.600 -5.247 -3.979 107 HA HIS 15 HA HIS 15 -2.388 -6.007 -2.693 108 HB2 HIS 15 1HB HIS 15 -4.174 -6.836 -3.852 109 HB3 HIS 15 2HB HIS 15 -3.163 -6.688 -5.281 110 HD1 HIS 15 HD1 HIS 15 -2.537 -8.845 -6.465 111 HD2 HIS 15 HD2 HIS 15 -4.074 -9.534 -2.651 112 HE1 HIS 15 HE1 HIS 15 -2.791 -11.356 -6.236 113 H GLN 16 H GLN 16 -2.841 -7.795 -1.256 114 HA GLN 16 HA GLN 16 -1.492 -10.313 -1.488 115 HB2 GLN 16 1HB GLN 16 0.418 -8.666 -0.936 116 HB3 GLN 16 2HB GLN 16 -0.326 -8.527 0.657 117 HG2 GLN 16 1HG GLN 16 1.375 -10.244 0.783 118 HG3 GLN 16 2HG GLN 16 -0.200 -11.037 0.854 119 HE21 GLN 16 2HE2 GLN 16 -0.305 -12.841 -0.486 120 HE22 GLN 16 1HE2 GLN 16 0.534 -13.024 -1.950 121 H TYR 17 H TYR 17 -1.997 -11.691 0.363 122 HA TYR 17 HA TYR 17 -4.325 -10.649 1.935 123 HB2 TYR 17 1HB TYR 17 -4.984 -12.981 2.189 124 HB3 TYR 17 2HB TYR 17 -4.720 -12.641 0.479 125 HD1 TYR 17 HD1 TYR 17 -2.621 -13.393 -0.641 126 HD2 TYR 17 HD2 TYR 17 -3.578 -14.510 3.395 127 HE1 TYR 17 HE1 TYR 17 -0.928 -15.204 -0.740 128 HE2 TYR 17 HE2 TYR 17 -1.886 -16.319 3.297 129 HH TYR 17 HH TYR 17 0.404 -16.607 1.734 130 H ARG 18 H ARG 18 -4.214 -10.630 4.154 131 HA ARG 18 HA ARG 18 -1.563 -11.284 5.340 132 HB2 ARG 18 1HB ARG 18 -3.965 -9.815 6.459 133 HB3 ARG 18 2HB ARG 18 -2.472 -10.105 7.350 134 HG2 ARG 18 1HG ARG 18 -1.208 -8.892 5.599 135 HG3 ARG 18 2HG ARG 18 -2.717 -8.570 4.747 136 HD2 ARG 18 1HD ARG 18 -2.173 -7.714 7.602 137 HD3 ARG 18 2HD ARG 18 -1.958 -6.665 6.201 138 HE ARG 18 HE ARG 18 -4.598 -7.739 6.125 139 HH11 ARG 18 1HH2 ARG 18 -2.567 -5.623 7.936 140 HH12 ARG 18 2HH2 ARG 18 -3.871 -4.617 8.476 141 HH21 ARG 18 1HH1 ARG 18 -6.314 -6.436 6.820 142 HH22 ARG 18 2HH1 ARG 18 -5.990 -5.077 7.844 143 H ASP 19 H ASP 19 -1.267 -12.943 6.758 144 HA ASP 19 HA ASP 19 -3.256 -15.018 6.945 145 HB2 ASP 19 1HB ASP 19 -1.639 -16.062 8.536 146 HB3 ASP 19 2HB ASP 19 -0.877 -15.554 7.029 147 H ASP 20 H ASP 20 -2.590 -12.184 8.826 148 HA ASP 20 HA ASP 20 -3.595 -13.008 11.356 149 HB2 ASP 20 1HB ASP 20 -2.477 -10.842 11.026 150 HB3 ASP 20 2HB ASP 20 -3.811 -10.297 10.008 151 H ILE 21 H ILE 21 -5.298 -11.518 8.591 152 HA ILE 21 HA ILE 21 -7.905 -12.346 9.812 153 HB ILE 21 HB ILE 21 -8.897 -10.735 8.201 154 HG12 ILE 21 1HG1 ILE 21 -6.011 -10.063 7.544 155 HG13 ILE 21 2HG1 ILE 21 -7.091 -10.952 6.472 156 HG21 ILE 21 1HG2 ILE 21 -6.626 -9.523 9.805 157 HG22 ILE 21 2HG2 ILE 21 -8.165 -10.037 10.494 158 HG23 ILE 21 3HG2 ILE 21 -8.119 -8.721 9.321 159 HD11 ILE 21 3HD1 ILE 21 -8.681 -8.972 6.644 160 HD12 ILE 21 1HD1 ILE 21 -7.189 -8.678 5.758 161 HD13 ILE 21 2HD1 ILE 21 -7.363 -8.092 7.411 162 H ARG 22 H ARG 22 -5.655 -13.390 7.574 163 HA ARG 22 HA ARG 22 -5.762 -14.831 5.722 164 HB2 ARG 22 1HB ARG 22 -8.148 -15.725 7.359 165 HB3 ARG 22 2HB ARG 22 -7.566 -16.597 5.941 166 HG2 ARG 22 1HG ARG 22 -5.345 -16.833 6.996 167 HG3 ARG 22 2HG ARG 22 -5.932 -15.970 8.418 168 HD2 ARG 22 1HD ARG 22 -7.643 -17.714 8.771 169 HD3 ARG 22 2HD ARG 22 -7.046 -18.586 7.359 170 HE ARG 22 HE ARG 22 -5.735 -18.439 9.989 171 HH11 ARG 22 1HH2 ARG 22 -5.507 -19.115 6.608 172 HH12 ARG 22 2HH2 ARG 22 -4.130 -20.151 6.777 173 HH21 ARG 22 1HH1 ARG 22 -3.948 -19.794 10.221 174 HH22 ARG 22 2HH1 ARG 22 -3.247 -20.534 8.821 175 H LYS 23 H LYS 23 -6.701 -12.363 5.026 176 HA LYS 23 HA LYS 23 -8.799 -13.050 3.042 177 HB2 LYS 23 1HB LYS 23 -9.023 -10.852 5.107 178 HB3 LYS 23 2HB LYS 23 -9.909 -10.785 3.581 179 HG2 LYS 23 1HG LYS 23 -10.978 -12.930 4.073 180 HG3 LYS 23 2HG LYS 23 -10.056 -13.073 5.568 181 HD2 LYS 23 1HD LYS 23 -11.116 -11.029 6.432 182 HD3 LYS 23 2HD LYS 23 -12.027 -10.858 4.931 183 HE2 LYS 23 1HE LYS 23 -13.121 -13.031 5.348 184 HE3 LYS 23 2HE LYS 23 -12.207 -13.205 6.846 185 HZ1 LYS 23 3HZ LYS 23 -13.442 -10.690 6.839 186 HZ2 LYS 23 1HZ LYS 23 -13.726 -11.998 7.881 187 HZ3 LYS 23 2HZ LYS 23 -14.617 -11.851 6.442 188 H TYR 24 H TYR 24 -8.983 -11.268 1.374 189 HA TYR 24 HA TYR 24 -6.265 -10.331 0.701 190 HB2 TYR 24 1HB TYR 24 -8.885 -10.210 -0.821 191 HB3 TYR 24 2HB TYR 24 -7.332 -9.667 -1.455 192 HD1 TYR 24 HD2 TYR 24 -9.292 -12.602 -0.361 193 HD2 TYR 24 HD1 TYR 24 -5.617 -11.243 -2.119 194 HE1 TYR 24 HE2 TYR 24 -8.764 -14.925 -1.051 195 HE2 TYR 24 HE1 TYR 24 -5.089 -13.565 -2.810 196 HH TYR 24 HH TYR 24 -5.844 -15.656 -2.951 197 H VAL 25 H VAL 25 -5.603 -8.287 1.073 198 HA VAL 25 HA VAL 25 -7.592 -6.088 1.166 199 HB VAL 25 HB VAL 25 -6.505 -5.249 3.300 200 HG11 VAL 25 1HG1 VAL 25 -7.858 -6.619 4.729 201 HG12 VAL 25 2HG1 VAL 25 -7.770 -7.980 3.611 202 HG13 VAL 25 3HG1 VAL 25 -8.692 -6.545 3.179 203 HG21 VAL 25 3HG2 VAL 25 -5.298 -6.952 4.645 204 HG22 VAL 25 1HG2 VAL 25 -4.438 -6.565 3.157 205 HG23 VAL 25 2HG2 VAL 25 -5.364 -8.062 3.279 206 HA PRO 26 HA PRO 26 -4.570 -3.791 -1.128 207 HB2 PRO 26 1HB PRO 26 -4.659 -1.798 1.127 208 HB3 PRO 26 2HB PRO 26 -4.743 -1.518 -0.625 209 HG2 PRO 26 1HG PRO 26 -6.935 -1.457 0.897 210 HG3 PRO 26 2HG PRO 26 -6.967 -2.113 -0.750 211 HD2 PRO 26 1HD PRO 26 -7.142 -3.566 1.843 212 HD3 PRO 26 2HD PRO 26 -7.722 -4.045 0.237 213 H TYR 27 H TYR 27 -2.406 -4.114 -1.217 214 HA TYR 27 HA TYR 27 -0.716 -3.828 1.191 215 HB2 TYR 27 1HB TYR 27 -1.443 -6.203 1.230 216 HB3 TYR 27 2HB TYR 27 -0.844 -6.404 -0.416 217 HD1 TYR 27 HD1 TYR 27 0.101 -5.908 3.109 218 HD2 TYR 27 HD2 TYR 27 1.549 -6.442 -0.899 219 HE1 TYR 27 HE1 TYR 27 2.374 -6.361 3.991 220 HE2 TYR 27 HE2 TYR 27 3.822 -6.894 -0.017 221 HH TYR 27 HH TYR 27 5.067 -6.156 2.317 222 H ALA 28 H ALA 28 0.825 -2.466 0.408 223 HA ALA 28 HA ALA 28 2.136 -3.165 -2.188 224 HB1 ALA 28 3HB ALA 28 2.030 -0.862 -2.952 225 HB2 ALA 28 1HB ALA 28 1.240 -0.360 -1.458 226 HB3 ALA 28 2HB ALA 28 0.393 -1.407 -2.596 227 H LEU 29 H LEU 29 4.233 -2.018 -2.430 228 HA LEU 29 HA LEU 29 5.542 -1.623 0.236 229 HB2 LEU 29 1HB LEU 29 6.787 -2.224 -2.467 230 HB3 LEU 29 2HB LEU 29 7.628 -2.172 -0.919 231 HG LEU 29 HG LEU 29 5.402 -4.101 -1.647 232 HD11 LEU 29 1HD1 LEU 29 7.661 -4.426 -2.773 233 HD12 LEU 29 2HD1 LEU 29 7.102 -5.785 -1.799 234 HD13 LEU 29 3HD1 LEU 29 8.333 -4.692 -1.166 235 HD21 LEU 29 3HD2 LEU 29 5.246 -3.870 0.687 236 HD22 LEU 29 1HD2 LEU 29 6.978 -3.587 0.877 237 HD23 LEU 29 2HD2 LEU 29 6.377 -5.209 0.531 238 H ILE 30 H ILE 30 6.317 0.373 0.719 239 HA ILE 30 HA ILE 30 6.358 2.445 -1.459 240 HB ILE 30 HB ILE 30 5.820 2.728 1.512 241 HG12 ILE 30 1HG1 ILE 30 4.029 3.318 -0.860 242 HG13 ILE 30 2HG1 ILE 30 3.997 1.783 0.010 243 HG21 ILE 30 1HG2 ILE 30 5.292 5.123 0.784 244 HG22 ILE 30 2HG2 ILE 30 6.145 4.750 -0.714 245 HG23 ILE 30 3HG2 ILE 30 7.001 4.687 0.826 246 HD11 ILE 30 3HD1 ILE 30 3.539 4.508 1.257 247 HD12 ILE 30 1HD1 ILE 30 3.474 2.962 2.099 248 HD13 ILE 30 2HD1 ILE 30 2.276 3.342 0.865 249 H ARG 31 H ARG 31 8.259 3.454 -1.826 250 HA ARG 31 HA ARG 31 10.464 3.174 0.202 251 HB2 ARG 31 1HB ARG 31 10.687 1.728 -1.903 252 HB3 ARG 31 2HB ARG 31 10.869 3.238 -2.795 253 HG2 ARG 31 1HG ARG 31 12.809 3.848 -1.451 254 HG3 ARG 31 2HG ARG 31 12.599 2.414 -0.445 255 HD2 ARG 31 1HD ARG 31 14.335 1.982 -2.105 256 HD3 ARG 31 2HD ARG 31 12.921 0.992 -2.469 257 HE ARG 31 HE ARG 31 12.793 3.492 -3.901 258 HH11 ARG 31 1HH2 ARG 31 14.339 0.416 -3.739 259 HH12 ARG 31 2HH2 ARG 31 14.675 0.344 -5.437 260 HH21 ARG 31 1HH1 ARG 31 13.222 3.417 -6.124 261 HH22 ARG 31 2HH1 ARG 31 14.043 2.044 -6.788 262 H LYS 32 H LYS 32 11.531 5.070 0.656 263 HA LYS 32 HA LYS 32 10.505 7.531 -0.663 264 HB2 LYS 32 1HB LYS 32 10.465 7.399 1.806 265 HB3 LYS 32 2HB LYS 32 12.216 7.205 1.815 266 HG2 LYS 32 1HG LYS 32 12.490 9.399 0.750 267 HG3 LYS 32 2HG LYS 32 10.739 9.588 0.658 268 HD2 LYS 32 1HD LYS 32 10.599 9.487 3.121 269 HD3 LYS 32 2HD LYS 32 12.352 9.308 3.211 270 HE2 LYS 32 1HE LYS 32 11.768 11.646 3.585 271 HE3 LYS 32 2HE LYS 32 12.598 11.496 2.038 272 HZ1 LYS 32 3HZ LYS 32 10.849 12.532 1.177 273 HZ2 LYS 32 1HZ LYS 32 9.926 12.344 2.588 274 HZ3 LYS 32 2HZ LYS 32 9.970 11.101 1.431 275 H VAL 33 H VAL 33 11.692 8.517 -2.175 276 HA VAL 33 HA VAL 33 14.284 7.593 -2.986 277 HB VAL 33 HB VAL 33 12.785 10.155 -3.612 278 HG11 VAL 33 1HG1 VAL 33 15.340 8.985 -4.729 279 HG12 VAL 33 2HG1 VAL 33 15.080 10.603 -4.078 280 HG13 VAL 33 3HG1 VAL 33 14.365 10.150 -5.625 281 HG21 VAL 33 3HG2 VAL 33 11.581 8.252 -4.442 282 HG22 VAL 33 1HG2 VAL 33 13.063 7.477 -5.002 283 HG23 VAL 33 2HG2 VAL 33 12.459 8.920 -5.817 284 H GLY 34 H GLY 34 13.225 10.404 -1.083 285 HA2 GLY 34 1HA GLY 34 15.521 11.893 -0.832 286 HA3 GLY 34 2HA GLY 34 14.431 11.632 0.526 287 H VAL 35 H VAL 35 14.828 8.973 1.154 288 HA VAL 35 HA VAL 35 17.644 9.041 2.103 289 HB VAL 35 HB VAL 35 16.963 7.438 3.767 290 HG11 VAL 35 1HG1 VAL 35 15.238 8.698 4.915 291 HG12 VAL 35 2HG1 VAL 35 14.691 9.413 3.399 292 HG13 VAL 35 3HG1 VAL 35 16.271 9.840 4.057 293 HG21 VAL 35 3HG2 VAL 35 14.529 7.165 1.999 294 HG22 VAL 35 1HG2 VAL 35 14.471 6.697 3.699 295 HG23 VAL 35 2HG2 VAL 35 15.595 5.899 2.601 296 HA PRO 36 HA PRO 36 19.223 5.910 -0.671 297 HB2 PRO 36 1HB PRO 36 19.980 4.386 1.810 298 HB3 PRO 36 2HB PRO 36 20.961 4.767 0.378 299 HG2 PRO 36 1HG PRO 36 21.258 6.121 2.645 300 HG3 PRO 36 2HG PRO 36 21.367 6.929 1.069 301 HD2 PRO 36 1HD PRO 36 19.174 7.057 3.096 302 HD3 PRO 36 2HD PRO 36 19.693 8.263 1.899 303 H ASP 37 H ASP 37 19.391 3.204 -0.415 304 HA ASP 37 HA ASP 37 16.595 2.378 -0.659 305 HB2 ASP 37 1HB ASP 37 18.483 1.559 -2.148 306 HB3 ASP 37 2HB ASP 37 19.067 0.629 -0.767 307 H ARG 38 H ARG 38 15.649 2.342 1.378 308 HA ARG 38 HA ARG 38 16.970 0.716 3.514 309 HB2 ARG 38 1HB ARG 38 14.671 2.694 3.669 310 HB3 ARG 38 2HB ARG 38 15.353 1.821 5.038 311 HG2 ARG 38 1HG ARG 38 17.087 3.553 3.274 312 HG3 ARG 38 2HG ARG 38 16.185 4.240 4.622 313 HD2 ARG 38 1HD ARG 38 17.285 2.567 6.138 314 HD3 ARG 38 2HD ARG 38 18.274 2.044 4.780 315 HE ARG 38 HE ARG 38 18.441 4.914 5.253 316 HH11 ARG 38 1HH2 ARG 38 19.546 1.759 6.093 317 HH12 ARG 38 2HH2 ARG 38 21.091 2.300 6.656 318 HH21 ARG 38 1HH1 ARG 38 20.464 5.645 5.991 319 HH22 ARG 38 2HH1 ARG 38 21.611 4.497 6.597 320 H THR 39 H THR 39 15.617 -0.813 4.683 321 HA THR 39 HA THR 39 14.259 -2.673 3.171 322 HB THR 39 HB THR 39 13.461 -1.899 5.989 323 HG1 THR 39 HG1 THR 39 15.384 -3.827 5.296 324 HG21 THR 39 3HG2 THR 39 12.860 -4.250 6.204 325 HG22 THR 39 1HG2 THR 39 13.430 -4.575 4.568 326 HG23 THR 39 2HG2 THR 39 12.011 -3.559 4.822 327 HA PRO 40 HA PRO 40 10.562 -0.361 2.069 328 HB2 PRO 40 1HB PRO 40 9.096 -2.335 0.902 329 HB3 PRO 40 2HB PRO 40 10.529 -1.633 0.121 330 HG2 PRO 40 1HG PRO 40 10.282 -4.183 1.665 331 HG3 PRO 40 2HG PRO 40 11.123 -3.874 0.133 332 HD2 PRO 40 1HD PRO 40 12.437 -3.979 2.532 333 HD3 PRO 40 2HD PRO 40 12.988 -2.957 1.184 334 H ILE 41 H ILE 41 8.474 -0.032 2.942 335 HA ILE 41 HA ILE 41 7.714 -1.839 5.211 336 HB ILE 41 HB ILE 41 7.006 1.080 4.803 337 HG12 ILE 41 1HG1 ILE 41 9.401 0.941 5.124 338 HG13 ILE 41 2HG1 ILE 41 8.682 1.469 6.644 339 HG21 ILE 41 1HG2 ILE 41 6.306 0.984 7.138 340 HG22 ILE 41 2HG2 ILE 41 6.824 -0.698 7.253 341 HG23 ILE 41 3HG2 ILE 41 5.461 -0.263 6.221 342 HD11 ILE 41 3HD1 ILE 41 9.852 -1.215 5.940 343 HD12 ILE 41 1HD1 ILE 41 8.655 -1.088 7.229 344 HD13 ILE 41 2HD1 ILE 41 10.174 -0.204 7.345 345 HA PRO 42 HA PRO 42 4.140 -2.552 2.577 346 HB2 PRO 42 1HB PRO 42 2.616 -4.050 4.243 347 HB3 PRO 42 2HB PRO 42 4.114 -4.679 3.524 348 HG2 PRO 42 1HG PRO 42 3.671 -3.533 6.254 349 HG3 PRO 42 2HG PRO 42 4.550 -5.002 5.783 350 HD2 PRO 42 1HD PRO 42 5.827 -2.642 6.314 351 HD3 PRO 42 2HD PRO 42 6.452 -3.819 5.134 352 H THR 43 H THR 43 2.026 -1.747 2.301 353 HA THR 43 HA THR 43 0.943 -0.001 4.487 354 HB THR 43 HB THR 43 1.803 1.566 2.948 355 HG1 THR 43 HG1 THR 43 -0.025 2.504 2.204 356 HG21 THR 43 3HG2 THR 43 0.899 -0.409 0.859 357 HG22 THR 43 1HG2 THR 43 2.503 0.285 1.105 358 HG23 THR 43 2HG2 THR 43 1.206 1.275 0.438 359 H THR 44 H THR 44 -1.160 -0.387 4.937 360 HA THR 44 HA THR 44 -2.861 -1.786 2.912 361 HB THR 44 HB THR 44 -3.683 -3.331 4.583 362 HG1 THR 44 HG1 THR 44 -2.839 -3.248 6.698 363 HG21 THR 44 3HG2 THR 44 -1.398 -3.715 3.432 364 HG22 THR 44 1HG2 THR 44 -1.776 -4.699 4.844 365 HG23 THR 44 2HG2 THR 44 -0.698 -3.313 4.999 366 H TYR 45 H TYR 45 -5.213 -1.616 3.510 367 HA TYR 45 HA TYR 45 -5.832 0.728 5.252 368 HB2 TYR 45 1HB TYR 45 -5.755 1.634 3.015 369 HB3 TYR 45 2HB TYR 45 -6.752 0.318 2.398 370 HD1 TYR 45 HD1 TYR 45 -6.768 3.123 4.875 371 HD2 TYR 45 HD2 TYR 45 -9.101 0.521 2.379 372 HE1 TYR 45 HE1 TYR 45 -8.810 4.416 5.433 373 HE2 TYR 45 HE2 TYR 45 -11.141 1.813 2.936 374 HH TYR 45 HH TYR 45 -11.117 4.314 5.394 375 HA PRO 46 HA PRO 46 -8.669 -2.428 6.893 376 HB2 PRO 46 1HB PRO 46 -10.215 0.069 7.552 377 HB3 PRO 46 2HB PRO 46 -9.886 -1.351 8.566 378 HG2 PRO 46 1HG PRO 46 -8.511 0.909 8.871 379 HG3 PRO 46 2HG PRO 46 -7.733 -0.676 9.047 380 HD2 PRO 46 1HD PRO 46 -7.462 1.309 6.837 381 HD3 PRO 46 2HD PRO 46 -6.318 0.061 7.386 382 H GLU 47 H GLU 47 -9.224 -3.079 4.645 383 HA GLU 47 HA GLU 47 -12.041 -2.770 4.137 384 HB2 GLU 47 1HB GLU 47 -11.127 -0.591 3.205 385 HB3 GLU 47 2HB GLU 47 -10.226 -1.552 2.031 386 HG2 GLU 47 1HG GLU 47 -12.304 -0.863 0.993 387 HG3 GLU 47 2HG GLU 47 -12.410 -2.594 1.321 388 H PHE 48 H PHE 48 -12.745 -4.326 2.504 389 HA PHE 48 HA PHE 48 -10.624 -6.361 1.891 390 HB2 PHE 48 1HB PHE 48 -13.627 -6.714 1.957 391 HB3 PHE 48 2HB PHE 48 -12.416 -7.983 1.840 392 HD1 PHE 48 HD1 PHE 48 -11.012 -8.578 3.783 393 HD2 PHE 48 HD2 PHE 48 -14.081 -5.586 4.047 394 HE1 PHE 48 HE1 PHE 48 -10.936 -8.706 6.258 395 HE2 PHE 48 HE2 PHE 48 -13.997 -5.713 6.520 396 HZ PHE 48 HZ PHE 48 -12.423 -7.277 7.627 397 H TYR 49 H TYR 49 -10.489 -7.296 -0.161 398 HA TYR 49 HA TYR 49 -12.340 -6.557 -2.304 399 HB2 TYR 49 1HB TYR 49 -9.482 -5.552 -2.325 400 HB3 TYR 49 2HB TYR 49 -10.472 -5.678 -3.778 401 HD1 TYR 49 HD2 TYR 49 -12.810 -4.514 -3.718 402 HD2 TYR 49 HD1 TYR 49 -9.619 -3.625 -0.994 403 HE1 TYR 49 HE2 TYR 49 -13.862 -2.329 -3.194 404 HE2 TYR 49 HE1 TYR 49 -10.658 -1.446 -0.477 405 HH TYR 49 HH TYR 49 -13.101 -0.084 -2.340 406 H ASP 50 H ASP 50 -12.658 -8.662 -2.906 407 HA ASP 50 HA ASP 50 -10.534 -10.634 -2.861 408 HB2 ASP 50 1HB ASP 50 -12.242 -12.091 -3.972 409 HB3 ASP 50 2HB ASP 50 -12.821 -11.337 -2.485 410 H LEU 51 H LEU 51 -11.227 -8.175 -5.053 411 HA LEU 51 HA LEU 51 -10.210 -9.723 -7.404 412 HB2 LEU 51 1HB LEU 51 -11.392 -6.934 -7.266 413 HB3 LEU 51 2HB LEU 51 -10.968 -7.814 -8.734 414 HG LEU 51 HG LEU 51 -13.008 -8.735 -6.688 415 HD11 LEU 51 1HD1 LEU 51 -13.599 -6.679 -8.067 416 HD12 LEU 51 2HD1 LEU 51 -14.697 -8.048 -8.239 417 HD13 LEU 51 3HD1 LEU 51 -13.504 -7.713 -9.494 418 HD21 LEU 51 3HD2 LEU 51 -13.580 -10.225 -8.807 419 HD22 LEU 51 1HD2 LEU 51 -12.288 -10.709 -7.713 420 HD23 LEU 51 2HD2 LEU 51 -11.899 -9.907 -9.235 421 H GLU 52 H GLU 52 -8.167 -9.425 -8.102 422 HA GLU 52 HA GLU 52 -6.298 -7.809 -6.639 423 HB2 GLU 52 1HB GLU 52 -5.645 -9.842 -7.892 424 HB3 GLU 52 2HB GLU 52 -6.041 -9.031 -9.406 425 HG2 GLU 52 1HG GLU 52 -4.326 -7.333 -8.979 426 HG3 GLU 52 2HG GLU 52 -3.959 -8.073 -7.420 427 H ALA 53 H ALA 53 -8.003 -7.347 -9.730 428 HA ALA 53 HA ALA 53 -6.678 -4.991 -10.573 429 HB1 ALA 53 3HB ALA 53 -9.573 -5.828 -10.914 430 HB2 ALA 53 1HB ALA 53 -8.248 -6.115 -12.042 431 HB3 ALA 53 2HB ALA 53 -8.831 -4.474 -11.767 432 H ASP 54 H ASP 54 -9.638 -5.292 -8.577 433 HA ASP 54 HA ASP 54 -9.858 -2.473 -8.068 434 HB2 ASP 54 1HB ASP 54 -11.727 -4.078 -7.717 435 HB3 ASP 54 2HB ASP 54 -10.840 -4.794 -6.371 436 H ALA 55 H ALA 55 -8.236 -5.128 -6.356 437 HA ALA 55 HA ALA 55 -7.476 -3.632 -4.045 438 HB1 ALA 55 3HB ALA 55 -7.330 -6.180 -4.449 439 HB2 ALA 55 1HB ALA 55 -6.020 -5.428 -3.539 440 HB3 ALA 55 2HB ALA 55 -5.791 -5.837 -5.241 441 H GLU 56 H GLU 56 -5.859 -4.091 -7.192 442 HA GLU 56 HA GLU 56 -3.466 -2.667 -6.464 443 HB2 GLU 56 1HB GLU 56 -4.769 -3.181 -9.153 444 HB3 GLU 56 2HB GLU 56 -3.201 -2.396 -8.969 445 HG2 GLU 56 1HG GLU 56 -2.287 -4.357 -7.865 446 HG3 GLU 56 2HG GLU 56 -3.865 -5.140 -7.865 447 H ARG 57 H ARG 57 -6.500 -1.649 -8.028 448 HA ARG 57 HA ARG 57 -5.748 1.075 -8.454 449 HB2 ARG 57 1HB ARG 57 -7.796 -0.148 -9.381 450 HB3 ARG 57 2HB ARG 57 -8.536 0.090 -7.800 451 HG2 ARG 57 1HG ARG 57 -9.308 1.998 -8.884 452 HG3 ARG 57 2HG ARG 57 -7.810 2.627 -8.202 453 HD2 ARG 57 1HD ARG 57 -7.970 3.256 -10.562 454 HD3 ARG 57 2HD ARG 57 -6.652 2.103 -10.348 455 HE ARG 57 HE ARG 57 -7.896 0.509 -11.587 456 HH11 ARG 57 1HH2 ARG 57 -9.772 3.264 -10.693 457 HH12 ARG 57 2HH2 ARG 57 -11.121 2.829 -11.688 458 HH21 ARG 57 1HH1 ARG 57 -9.645 -0.072 -12.886 459 HH22 ARG 57 2HH1 ARG 57 -11.049 0.940 -12.929 460 H VAL 58 H VAL 58 -7.454 -0.506 -5.762 461 HA VAL 58 HA VAL 58 -7.739 1.871 -4.177 462 HB VAL 58 HB VAL 58 -7.715 -1.062 -3.411 463 HG11 VAL 58 1HG1 VAL 58 -8.347 1.428 -1.808 464 HG12 VAL 58 2HG1 VAL 58 -7.186 0.159 -1.416 465 HG13 VAL 58 3HG1 VAL 58 -8.915 -0.175 -1.344 466 HG21 VAL 58 3HG2 VAL 58 -9.522 -0.106 -4.963 467 HG22 VAL 58 1HG2 VAL 58 -10.049 0.856 -3.582 468 HG23 VAL 58 2HG2 VAL 58 -10.092 -0.905 -3.499 469 H SER 59 H SER 59 -5.276 -0.708 -4.227 470 HA SER 59 HA SER 59 -3.786 0.129 -1.981 471 HB2 SER 59 1HB SER 59 -1.860 -0.981 -3.073 472 HB3 SER 59 2HB SER 59 -3.316 -1.966 -3.174 473 HG SER 59 HG SER 59 -1.990 -1.602 -5.164 474 H ILE 60 H ILE 60 -3.618 1.269 -5.352 475 HA ILE 60 HA ILE 60 -1.392 3.030 -4.951 476 HB ILE 60 HB ILE 60 -3.700 3.143 -6.918 477 HG12 ILE 60 1HG1 ILE 60 -0.809 2.350 -7.359 478 HG13 ILE 60 2HG1 ILE 60 -2.071 1.180 -6.968 479 HG21 ILE 60 1HG2 ILE 60 -2.048 4.625 -8.202 480 HG22 ILE 60 2HG2 ILE 60 -1.177 4.793 -6.678 481 HG23 ILE 60 3HG2 ILE 60 -2.839 5.365 -6.810 482 HD11 ILE 60 3HD1 ILE 60 -2.111 3.071 -9.340 483 HD12 ILE 60 1HD1 ILE 60 -3.350 1.878 -8.950 484 HD13 ILE 60 2HD1 ILE 60 -1.732 1.350 -9.414 485 H ALA 61 H ALA 61 -4.919 3.559 -4.734 486 HA ALA 61 HA ALA 61 -4.703 6.351 -4.049 487 HB1 ALA 61 3HB ALA 61 -7.041 6.214 -3.496 488 HB2 ALA 61 1HB ALA 61 -6.948 4.466 -3.282 489 HB3 ALA 61 2HB ALA 61 -6.783 5.168 -4.891 490 H CYS 62 H CYS 62 -4.957 3.381 -2.114 491 HA CYS 62 HA CYS 62 -5.074 4.711 0.431 492 HB2 CYS 62 1HB CYS 62 -4.170 1.920 -0.330 493 HB3 CYS 62 2HB CYS 62 -4.365 2.474 1.332 494 HG CYS 62 HG CYS 62 -6.678 1.970 -0.673 495 H ALA 63 H ALA 63 -2.381 3.463 -1.530 496 HA ALA 63 HA ALA 63 -0.315 3.805 0.372 497 HB1 ALA 63 3HB ALA 63 -0.075 4.343 -2.602 498 HB2 ALA 63 1HB ALA 63 -0.092 2.724 -1.900 499 HB3 ALA 63 2HB ALA 63 1.210 3.845 -1.502 500 H LYS 64 H LYS 64 -1.664 6.141 -1.965 501 HA LYS 64 HA LYS 64 0.090 8.293 -1.265 502 HB2 LYS 64 1HB LYS 64 -2.728 8.311 -2.388 503 HB3 LYS 64 2HB LYS 64 -1.696 9.738 -2.277 504 HG2 LYS 64 1HG LYS 64 -0.008 8.657 -3.692 505 HG3 LYS 64 2HG LYS 64 -0.996 7.199 -3.778 506 HD2 LYS 64 1HD LYS 64 -2.817 8.530 -4.833 507 HD3 LYS 64 2HD LYS 64 -1.759 9.941 -4.823 508 HE2 LYS 64 1HE LYS 64 -1.080 7.318 -6.181 509 HE3 LYS 64 2HE LYS 64 -1.754 8.720 -7.013 510 HZ1 LYS 64 3HZ LYS 64 0.580 8.819 -7.259 511 HZ2 LYS 64 1HZ LYS 64 0.850 8.527 -5.610 512 HZ3 LYS 64 2HZ LYS 64 0.172 10.004 -6.110 513 H ILE 65 H ILE 65 -3.108 7.336 -0.009 514 HA ILE 65 HA ILE 65 -3.419 9.567 1.760 515 HB ILE 65 HB ILE 65 -4.528 6.746 1.895 516 HG12 ILE 65 1HG1 ILE 65 -5.871 9.356 1.136 517 HG13 ILE 65 2HG1 ILE 65 -5.152 8.262 -0.046 518 HG21 ILE 65 1HG2 ILE 65 -5.103 9.207 3.564 519 HG22 ILE 65 2HG2 ILE 65 -4.637 7.604 4.130 520 HG23 ILE 65 3HG2 ILE 65 -6.236 7.862 3.435 521 HD11 ILE 65 3HD1 ILE 65 -7.528 7.769 0.123 522 HD12 ILE 65 1HD1 ILE 65 -7.405 7.616 1.876 523 HD13 ILE 65 2HD1 ILE 65 -6.621 6.432 0.832 524 H ILE 66 H ILE 66 -2.006 6.331 2.255 525 HA ILE 66 HA ILE 66 -1.436 6.674 5.038 526 HB ILE 66 HB ILE 66 -0.093 4.979 2.914 527 HG12 ILE 66 1HG1 ILE 66 -2.438 4.389 3.352 528 HG13 ILE 66 2HG1 ILE 66 -1.366 3.137 3.964 529 HG21 ILE 66 1HG2 ILE 66 0.324 5.081 5.902 530 HG22 ILE 66 2HG2 ILE 66 1.537 5.217 4.630 531 HG23 ILE 66 3HG2 ILE 66 0.749 3.669 4.935 532 HD11 ILE 66 3HD1 ILE 66 -3.095 5.057 5.462 533 HD12 ILE 66 1HD1 ILE 66 -1.569 4.600 6.215 534 HD13 ILE 66 2HD1 ILE 66 -2.748 3.364 5.796 535 H ILE 67 H ILE 67 0.495 7.354 2.126 536 HA ILE 67 HA ILE 67 2.862 8.176 3.501 537 HB ILE 67 HB ILE 67 1.716 8.984 0.812 538 HG12 ILE 67 1HG1 ILE 67 4.041 7.143 1.411 539 HG13 ILE 67 2HG1 ILE 67 2.386 6.546 1.318 540 HG21 ILE 67 1HG2 ILE 67 4.169 9.601 0.372 541 HG22 ILE 67 2HG2 ILE 67 4.376 9.575 2.123 542 HG23 ILE 67 3HG2 ILE 67 3.250 10.714 1.386 543 HD11 ILE 67 3HD1 ILE 67 2.204 6.997 -0.959 544 HD12 ILE 67 1HD1 ILE 67 3.906 6.555 -0.842 545 HD13 ILE 67 2HD1 ILE 67 3.439 8.253 -0.921 546 H ASP 68 H ASP 68 0.035 10.043 2.352 547 HA ASP 68 HA ASP 68 1.019 12.584 3.260 548 HB2 ASP 68 1HB ASP 68 -0.838 12.365 1.640 549 HB3 ASP 68 2HB ASP 68 -1.847 11.653 2.899 550 H SER 69 H SER 69 -1.152 10.181 4.743 551 HA SER 69 HA SER 69 -1.628 11.619 7.159 552 HB2 SER 69 1HB SER 69 -1.553 8.619 6.731 553 HB3 SER 69 2HB SER 69 -2.293 9.444 8.100 554 HG SER 69 HG SER 69 -3.021 9.549 5.363 555 H HIS 70 H HIS 70 0.946 9.345 6.238 556 HA HIS 70 HA HIS 70 2.131 9.055 8.797 557 HB2 HIS 70 1HB HIS 70 2.794 7.687 6.863 558 HB3 HIS 70 2HB HIS 70 3.487 9.110 6.086 559 HD1 HIS 70 HD1 HIS 70 3.902 7.135 9.330 560 HD2 HIS 70 HD2 HIS 70 6.132 9.539 6.754 561 HE1 HIS 70 HE1 HIS 70 6.282 7.101 10.196 562 H LEU 71 H LEU 71 2.918 11.433 6.231 563 HA LEU 71 HA LEU 71 4.882 12.816 7.792 564 HB2 LEU 71 1HB LEU 71 3.136 13.761 5.501 565 HB3 LEU 71 2HB LEU 71 4.474 14.693 6.166 566 HG LEU 71 HG LEU 71 4.752 11.886 5.050 567 HD11 LEU 71 1HD1 LEU 71 5.183 14.598 3.778 568 HD12 LEU 71 2HD1 LEU 71 4.138 13.293 3.215 569 HD13 LEU 71 3HD1 LEU 71 5.891 13.116 3.133 570 HD21 LEU 71 3HD2 LEU 71 6.624 12.169 6.412 571 HD22 LEU 71 1HD2 LEU 71 6.658 13.918 6.198 572 HD23 LEU 71 2HD2 LEU 71 7.228 12.858 4.910 573 H ASP 72 H ASP 72 1.395 13.359 7.327 574 HA ASP 72 HA ASP 72 1.267 15.727 8.946 575 HB2 ASP 72 1HB ASP 72 -0.513 15.087 7.356 576 HB3 ASP 72 2HB ASP 72 -0.901 13.688 8.361 577 H ARG 73 H ARG 73 0.758 12.282 9.708 578 HA ARG 73 HA ARG 73 1.495 12.769 12.489 579 HB2 ARG 73 1HB ARG 73 -0.640 12.016 13.461 580 HB3 ARG 73 2HB ARG 73 -0.876 13.476 12.503 581 HG2 ARG 73 1HG ARG 73 -1.651 12.110 10.596 582 HG3 ARG 73 2HG ARG 73 -1.420 10.643 11.547 583 HD2 ARG 73 1HD ARG 73 -3.047 11.479 13.216 584 HD3 ARG 73 2HD ARG 73 -3.312 12.913 12.227 585 HE ARG 73 HE ARG 73 -4.279 10.189 11.636 586 HH11 ARG 73 1HH2 ARG 73 -3.657 13.413 10.558 587 HH12 ARG 73 2HH2 ARG 73 -4.781 13.326 9.245 588 HH21 ARG 73 1HH1 ARG 73 -5.741 10.066 9.926 589 HH22 ARG 73 2HH1 ARG 73 -5.958 11.435 8.886 590 H HIS 74 H HIS 74 0.151 10.404 13.472 591 HA HIS 74 HA HIS 74 0.243 8.059 13.428 592 HB2 HIS 74 1HB HIS 74 0.120 8.476 10.805 593 HB3 HIS 74 2HB HIS 74 1.823 8.027 10.865 594 HD1 HIS 74 HD1 HIS 74 2.411 5.597 11.570 595 HD2 HIS 74 HD2 HIS 74 -1.687 6.341 11.372 596 HE1 HIS 74 HE1 HIS 74 1.267 3.340 11.672 597 H ASP 75 H ASP 75 1.721 6.786 14.481 598 HA ASP 75 HA ASP 75 4.402 7.930 14.932 599 HB2 ASP 75 1HB ASP 75 3.080 7.028 16.826 600 HB3 ASP 75 2HB ASP 75 3.104 5.434 16.069 601 H GLN 76 H GLN 76 3.511 4.507 14.503 602 HA GLN 76 HA GLN 76 6.000 3.818 13.281 603 HB2 GLN 76 1HB GLN 76 3.310 2.425 13.084 604 HB3 GLN 76 2HB GLN 76 4.865 1.707 12.663 605 HG2 GLN 76 1HG GLN 76 4.175 2.796 15.405 606 HG3 GLN 76 2HG GLN 76 4.096 1.090 14.964 607 HE21 GLN 76 2HE2 GLN 76 6.057 3.106 16.606 608 HE22 GLN 76 1HE2 GLN 76 7.576 2.451 16.223 609 H GLY 77 H GLY 77 3.533 2.647 11.268 610 HA2 GLY 77 1HA GLY 77 3.034 3.043 9.011 611 HA3 GLY 77 2HA GLY 77 3.287 4.753 9.364 612 H LEU 78 H LEU 78 4.753 5.565 7.972 613 HA LEU 78 HA LEU 78 6.938 3.842 6.935 614 HB2 LEU 78 1HB LEU 78 6.263 6.700 6.190 615 HB3 LEU 78 2HB LEU 78 7.248 5.558 5.275 616 HG LEU 78 HG LEU 78 4.290 5.254 5.873 617 HD11 LEU 78 1HD1 LEU 78 3.951 5.692 3.518 618 HD12 LEU 78 2HD1 LEU 78 5.691 5.759 3.234 619 HD13 LEU 78 3HD1 LEU 78 4.904 7.015 4.191 620 HD21 LEU 78 3HD2 LEU 78 4.619 3.395 4.077 621 HD22 LEU 78 1HD2 LEU 78 5.126 3.053 5.728 622 HD23 LEU 78 2HD2 LEU 78 6.325 3.487 4.508 623 H ALA 79 H ALA 79 6.944 4.793 9.729 624 HA ALA 79 HA ALA 79 8.694 7.015 10.088 625 HB1 ALA 79 3HB ALA 79 9.227 5.842 12.302 626 HB2 ALA 79 1HB ALA 79 8.127 4.569 11.775 627 HB3 ALA 79 2HB ALA 79 7.529 6.212 12.007 628 H ASP 80 H ASP 80 9.340 3.586 9.494 629 HA ASP 80 HA ASP 80 12.146 3.636 10.011 630 HB2 ASP 80 1HB ASP 80 10.448 1.946 8.167 631 HB3 ASP 80 2HB ASP 80 12.178 1.676 8.375 632 H LEU 81 H LEU 81 10.259 4.417 7.111 633 HA LEU 81 HA LEU 81 12.676 4.929 5.521 634 HB2 LEU 81 1HB LEU 81 9.768 5.567 4.931 635 HB3 LEU 81 2HB LEU 81 11.094 5.608 3.771 636 HG LEU 81 HG LEU 81 10.190 3.144 5.289 637 HD11 LEU 81 1HD1 LEU 81 9.836 3.839 2.359 638 HD12 LEU 81 2HD1 LEU 81 8.566 3.982 3.573 639 HD13 LEU 81 3HD1 LEU 81 9.238 2.399 3.182 640 HD21 LEU 81 3HD2 LEU 81 11.654 2.106 3.351 641 HD22 LEU 81 1HD2 LEU 81 12.445 2.743 4.790 642 HD23 LEU 81 2HD2 LEU 81 12.400 3.705 3.311 643 H GLY 82 H GLY 82 11.109 6.572 7.943 644 HA2 GLY 82 1HA GLY 82 12.541 9.028 7.395 645 HA3 GLY 82 2HA GLY 82 10.808 9.217 7.124 Start of MODEL 16 1 H1 MET 1 1H MET 1 9.557 0.269 -13.040 2 H2 MET 1 2H MET 1 8.222 -0.180 -13.990 3 H3 MET 1 3H MET 1 9.585 -1.190 -13.908 4 HA MET 1 HA MET 1 8.440 -2.305 -12.363 5 HB2 MET 1 1HB MET 1 9.214 0.212 -10.858 6 HB3 MET 1 2HB MET 1 8.650 -1.266 -10.077 7 HG2 MET 1 1HG MET 1 10.518 -2.527 -11.063 8 HG3 MET 1 2HG MET 1 11.066 -1.078 -11.904 9 HE1 MET 1 3HE MET 1 10.230 -2.825 -8.781 10 HE2 MET 1 1HE MET 1 9.730 -1.320 -7.996 11 HE3 MET 1 2HE MET 1 11.208 -2.133 -7.491 12 H ASN 2 H ASN 2 7.089 0.337 -13.682 13 HA ASN 2 HA ASN 2 4.932 1.212 -13.770 14 HB2 ASN 2 1HB ASN 2 4.157 -1.321 -12.293 15 HB3 ASN 2 2HB ASN 2 3.104 -0.309 -13.277 16 HD21 ASN 2 2HD2 ASN 2 4.551 -3.213 -13.442 17 HD22 ASN 2 1HD2 ASN 2 4.917 -3.299 -15.098 18 H VAL 3 H VAL 3 6.660 1.891 -11.577 19 HA VAL 3 HA VAL 3 4.927 2.054 -9.190 20 HB VAL 3 HB VAL 3 6.905 3.217 -8.178 21 HG11 VAL 3 1HG1 VAL 3 7.235 0.510 -9.480 22 HG12 VAL 3 2HG1 VAL 3 6.731 0.868 -7.830 23 HG13 VAL 3 3HG1 VAL 3 8.398 1.155 -8.321 24 HG21 VAL 3 3HG2 VAL 3 8.336 2.449 -10.739 25 HG22 VAL 3 1HG2 VAL 3 8.979 3.365 -9.378 26 HG23 VAL 3 2HG2 VAL 3 7.756 4.084 -10.424 27 H ALA 4 H ALA 4 4.384 4.026 -8.198 28 HA ALA 4 HA ALA 4 4.197 6.366 -10.074 29 HB1 ALA 4 3HB ALA 4 2.015 5.325 -9.595 30 HB2 ALA 4 1HB ALA 4 2.114 6.936 -8.885 31 HB3 ALA 4 2HB ALA 4 2.302 5.510 -7.865 32 H HIS 5 H HIS 5 4.986 8.242 -9.373 33 HA HIS 5 HA HIS 5 6.446 8.341 -6.838 34 HB2 HIS 5 1HB HIS 5 6.044 10.377 -9.050 35 HB3 HIS 5 2HB HIS 5 7.074 10.637 -7.642 36 HD1 HIS 5 HD1 HIS 5 8.693 10.735 -10.053 37 HD2 HIS 5 HD2 HIS 5 7.653 7.052 -8.400 38 HE1 HIS 5 HE1 HIS 5 10.350 9.048 -10.961 39 H TYR 6 H TYR 6 6.019 9.711 -5.120 40 HA TYR 6 HA TYR 6 3.655 11.456 -5.147 41 HB2 TYR 6 1HB TYR 6 2.946 9.010 -4.587 42 HB3 TYR 6 2HB TYR 6 3.745 9.291 -3.040 43 HD1 TYR 6 HD1 TYR 6 1.349 10.988 -5.374 44 HD2 TYR 6 HD2 TYR 6 2.465 10.209 -1.302 45 HE1 TYR 6 HE1 TYR 6 -0.648 12.230 -4.590 46 HE2 TYR 6 HE2 TYR 6 0.471 11.448 -0.517 47 HH TYR 6 HH TYR 6 -2.038 12.460 -2.694 48 H ARG 7 H ARG 7 4.479 13.233 -4.271 49 HA ARG 7 HA ARG 7 5.813 14.655 -2.983 50 HB2 ARG 7 1HB ARG 7 4.747 12.664 -0.982 51 HB3 ARG 7 2HB ARG 7 5.721 14.050 -0.487 52 HG2 ARG 7 1HG ARG 7 4.119 15.574 -1.588 53 HG3 ARG 7 2HG ARG 7 3.141 14.189 -2.082 54 HD2 ARG 7 1HD ARG 7 2.757 13.588 0.262 55 HD3 ARG 7 2HD ARG 7 3.804 14.905 0.789 56 HE ARG 7 HE ARG 7 2.073 16.459 0.267 57 HH11 ARG 7 1HH2 ARG 7 1.356 13.244 -0.796 58 HH12 ARG 7 2HH2 ARG 7 -0.305 13.598 -1.134 59 HH21 ARG 7 1HH1 ARG 7 -0.081 16.916 -0.168 60 HH22 ARG 7 2HH1 ARG 7 -1.115 15.669 -0.783 61 H GLY 8 H GLY 8 7.251 12.628 -4.358 62 HA2 GLY 8 1HA GLY 8 9.606 12.258 -4.444 63 HA3 GLY 8 2HA GLY 8 9.715 12.645 -2.726 64 H TYR 9 H TYR 9 7.311 10.750 -2.360 65 HA TYR 9 HA TYR 9 8.961 8.347 -1.912 66 HB2 TYR 9 1HB TYR 9 6.088 9.007 -1.210 67 HB3 TYR 9 2HB TYR 9 6.874 7.478 -0.813 68 HD1 TYR 9 HD2 TYR 9 6.861 11.122 -0.182 69 HD2 TYR 9 HD1 TYR 9 8.562 7.332 0.909 70 HE1 TYR 9 HE2 TYR 9 7.868 12.154 1.837 71 HE2 TYR 9 HE1 TYR 9 9.567 8.363 2.926 72 HH TYR 9 HH TYR 9 9.107 10.360 4.393 73 H GLU 10 H GLU 10 8.810 6.483 -3.016 74 HA GLU 10 HA GLU 10 7.208 6.485 -5.509 75 HB2 GLU 10 1HB GLU 10 9.364 4.622 -4.465 76 HB3 GLU 10 2HB GLU 10 8.520 4.398 -5.999 77 HG2 GLU 10 1HG GLU 10 9.296 6.599 -6.768 78 HG3 GLU 10 2HG GLU 10 10.118 6.858 -5.229 79 H ILE 11 H ILE 11 5.733 4.854 -6.000 80 HA ILE 11 HA ILE 11 4.785 3.199 -3.677 81 HB ILE 11 HB ILE 11 3.111 4.534 -5.829 82 HG12 ILE 11 1HG1 ILE 11 3.182 5.041 -2.840 83 HG13 ILE 11 2HG1 ILE 11 4.099 6.006 -3.995 84 HG21 ILE 11 1HG2 ILE 11 2.472 2.694 -3.510 85 HG22 ILE 11 2HG2 ILE 11 2.075 2.464 -5.211 86 HG23 ILE 11 3HG2 ILE 11 1.250 3.708 -4.274 87 HD11 ILE 11 3HD1 ILE 11 2.106 6.772 -5.079 88 HD12 ILE 11 1HD1 ILE 11 1.824 6.949 -3.346 89 HD13 ILE 11 2HD1 ILE 11 1.110 5.594 -4.221 90 H GLU 12 H GLU 12 4.602 1.106 -4.053 91 HA GLU 12 HA GLU 12 4.760 0.098 -6.880 92 HB2 GLU 12 1HB GLU 12 6.787 -0.280 -5.301 93 HB3 GLU 12 2HB GLU 12 5.749 -1.456 -4.492 94 HG2 GLU 12 1HG GLU 12 5.366 -2.590 -6.673 95 HG3 GLU 12 2HG GLU 12 6.465 -1.446 -7.441 96 HA PRO 13 HA PRO 13 0.666 -1.153 -5.126 97 HB2 PRO 13 1HB PRO 13 0.200 -1.496 -8.066 98 HB3 PRO 13 2HB PRO 13 -0.814 -0.686 -6.851 99 HG2 PRO 13 1HG PRO 13 0.602 0.727 -8.596 100 HG3 PRO 13 2HG PRO 13 0.448 1.255 -6.909 101 HD2 PRO 13 1HD PRO 13 2.775 -0.085 -8.256 102 HD3 PRO 13 2HD PRO 13 2.766 1.228 -7.057 103 H GLY 14 H GLY 14 -0.204 -3.194 -4.893 104 HA2 GLY 14 1HA GLY 14 0.544 -5.447 -6.564 105 HA3 GLY 14 2HA GLY 14 1.393 -5.456 -5.017 106 H HIS 15 H HIS 15 0.024 -7.539 -5.042 107 HA HIS 15 HA HIS 15 -2.458 -7.015 -3.471 108 HB2 HIS 15 1HB HIS 15 -3.648 -8.769 -4.717 109 HB3 HIS 15 2HB HIS 15 -3.143 -7.474 -5.803 110 HD1 HIS 15 HD1 HIS 15 -0.948 -7.952 -7.260 111 HD2 HIS 15 HD2 HIS 15 -2.552 -11.276 -5.321 112 HE1 HIS 15 HE1 HIS 15 0.125 -9.987 -8.321 113 H GLN 16 H GLN 16 -2.299 -8.069 -1.616 114 HA GLN 16 HA GLN 16 -1.304 -10.831 -1.511 115 HB2 GLN 16 1HB GLN 16 0.768 -9.517 -1.278 116 HB3 GLN 16 2HB GLN 16 0.054 -8.651 0.083 117 HG2 GLN 16 1HG GLN 16 -0.109 -10.675 1.385 118 HG3 GLN 16 2HG GLN 16 0.365 -11.659 0.000 119 HE21 GLN 16 2HE2 GLN 16 2.522 -12.243 0.049 120 HE22 GLN 16 1HE2 GLN 16 3.767 -11.344 0.771 121 H TYR 17 H TYR 17 -1.793 -11.863 0.461 122 HA TYR 17 HA TYR 17 -3.962 -10.536 2.037 123 HB2 TYR 17 1HB TYR 17 -4.863 -12.747 2.409 124 HB3 TYR 17 2HB TYR 17 -4.542 -12.592 0.683 125 HD1 TYR 17 HD2 TYR 17 -2.546 -13.688 -0.329 126 HD2 TYR 17 HD1 TYR 17 -3.610 -14.276 3.792 127 HE1 TYR 17 HE2 TYR 17 -1.050 -15.665 -0.223 128 HE2 TYR 17 HE1 TYR 17 -2.116 -16.251 3.899 129 HH TYR 17 HH TYR 17 0.253 -16.866 1.925 130 H ARG 18 H ARG 18 -3.931 -10.653 4.245 131 HA ARG 18 HA ARG 18 -1.293 -11.359 5.468 132 HB2 ARG 18 1HB ARG 18 -3.557 -9.561 6.356 133 HB3 ARG 18 2HB ARG 18 -2.206 -9.992 7.407 134 HG2 ARG 18 1HG ARG 18 -0.621 -9.083 5.743 135 HG3 ARG 18 2HG ARG 18 -1.974 -8.642 4.700 136 HD2 ARG 18 1HD ARG 18 -2.856 -7.155 6.444 137 HD3 ARG 18 2HD ARG 18 -1.526 -7.602 7.514 138 HE ARG 18 HE ARG 18 -1.350 -5.821 5.179 139 HH11 ARG 18 1HH2 ARG 18 0.269 -7.775 7.532 140 HH12 ARG 18 2HH2 ARG 18 1.779 -6.944 7.359 141 HH21 ARG 18 1HH1 ARG 18 0.603 -4.741 4.956 142 HH22 ARG 18 2HH1 ARG 18 1.966 -5.230 5.905 143 H ASP 19 H ASP 19 -1.132 -12.901 7.004 144 HA ASP 19 HA ASP 19 -3.195 -14.892 7.248 145 HB2 ASP 19 1HB ASP 19 -0.595 -14.437 8.736 146 HB3 ASP 19 2HB ASP 19 -1.644 -15.816 9.057 147 H ASP 20 H ASP 20 -2.646 -11.946 8.898 148 HA ASP 20 HA ASP 20 -3.670 -12.565 11.500 149 HB2 ASP 20 1HB ASP 20 -3.649 -10.016 9.861 150 HB3 ASP 20 2HB ASP 20 -4.262 -10.076 11.516 151 H ILE 21 H ILE 21 -5.259 -11.483 8.516 152 HA ILE 21 HA ILE 21 -7.923 -12.158 9.739 153 HB ILE 21 HB ILE 21 -8.889 -10.589 8.093 154 HG12 ILE 21 1HG1 ILE 21 -6.014 -9.888 7.394 155 HG13 ILE 21 2HG1 ILE 21 -7.053 -10.874 6.369 156 HG21 ILE 21 1HG2 ILE 21 -8.080 -9.847 10.378 157 HG22 ILE 21 2HG2 ILE 21 -8.187 -8.562 9.174 158 HG23 ILE 21 3HG2 ILE 21 -6.618 -9.254 9.588 159 HD11 ILE 21 3HD1 ILE 21 -7.396 -7.970 7.113 160 HD12 ILE 21 1HD1 ILE 21 -8.726 -8.929 6.462 161 HD13 ILE 21 2HD1 ILE 21 -7.266 -8.682 5.503 162 H ARG 22 H ARG 22 -5.586 -13.120 7.540 163 HA ARG 22 HA ARG 22 -5.543 -14.665 5.791 164 HB2 ARG 22 1HB ARG 22 -8.050 -15.540 7.243 165 HB3 ARG 22 2HB ARG 22 -7.312 -16.463 5.937 166 HG2 ARG 22 1HG ARG 22 -5.628 -15.594 8.286 167 HG3 ARG 22 2HG ARG 22 -6.665 -17.010 8.435 168 HD2 ARG 22 1HD ARG 22 -4.495 -16.604 6.344 169 HD3 ARG 22 2HD ARG 22 -4.426 -17.700 7.720 170 HE ARG 22 HE ARG 22 -6.729 -18.445 6.332 171 HH11 ARG 22 1HH2 ARG 22 -3.347 -18.094 5.642 172 HH12 ARG 22 2HH2 ARG 22 -3.346 -19.335 4.432 173 HH21 ARG 22 1HH1 ARG 22 -6.719 -20.048 4.758 174 HH22 ARG 22 2HH1 ARG 22 -5.244 -20.435 3.936 175 H LYS 23 H LYS 23 -6.523 -12.187 5.069 176 HA LYS 23 HA LYS 23 -8.388 -12.958 2.876 177 HB2 LYS 23 1HB LYS 23 -8.790 -10.667 4.808 178 HB3 LYS 23 2HB LYS 23 -9.608 -10.765 3.251 179 HG2 LYS 23 1HG LYS 23 -10.551 -12.953 3.875 180 HG3 LYS 23 2HG LYS 23 -9.744 -12.852 5.436 181 HD2 LYS 23 1HD LYS 23 -11.009 -10.805 5.968 182 HD3 LYS 23 2HD LYS 23 -11.817 -10.901 4.402 183 HE2 LYS 23 1HE LYS 23 -12.774 -13.080 5.010 184 HE3 LYS 23 2HE LYS 23 -11.946 -13.021 6.566 185 HZ1 LYS 23 3HZ LYS 23 -14.424 -12.149 6.195 186 HZ2 LYS 23 1HZ LYS 23 -13.574 -10.712 5.897 187 HZ3 LYS 23 2HZ LYS 23 -13.383 -11.518 7.380 188 H TYR 24 H TYR 24 -8.408 -11.401 1.127 189 HA TYR 24 HA TYR 24 -5.728 -10.333 0.613 190 HB2 TYR 24 1HB TYR 24 -8.227 -10.482 -1.094 191 HB3 TYR 24 2HB TYR 24 -6.688 -9.827 -1.654 192 HD1 TYR 24 HD2 TYR 24 -8.471 -12.885 -0.595 193 HD2 TYR 24 HD1 TYR 24 -4.769 -11.262 -2.053 194 HE1 TYR 24 HE2 TYR 24 -7.666 -15.175 -1.107 195 HE2 TYR 24 HE1 TYR 24 -3.967 -13.552 -2.564 196 HH TYR 24 HH TYR 24 -5.640 -16.374 -1.465 197 H VAL 25 H VAL 25 -5.157 -8.282 0.835 198 HA VAL 25 HA VAL 25 -7.235 -6.166 0.796 199 HB VAL 25 HB VAL 25 -6.014 -5.093 2.775 200 HG11 VAL 25 1HG1 VAL 25 -8.234 -6.201 2.909 201 HG12 VAL 25 2HG1 VAL 25 -7.304 -6.383 4.393 202 HG13 VAL 25 3HG1 VAL 25 -7.428 -7.728 3.259 203 HG21 VAL 25 3HG2 VAL 25 -5.029 -7.933 3.168 204 HG22 VAL 25 1HG2 VAL 25 -4.723 -6.546 4.213 205 HG23 VAL 25 2HG2 VAL 25 -4.011 -6.607 2.601 206 HA PRO 26 HA PRO 26 -4.650 -3.807 -1.890 207 HB2 PRO 26 1HB PRO 26 -4.656 -1.736 0.289 208 HB3 PRO 26 2HB PRO 26 -4.981 -1.548 -1.445 209 HG2 PRO 26 1HG PRO 26 -6.946 -1.665 0.437 210 HG3 PRO 26 2HG PRO 26 -7.166 -2.188 -1.242 211 HD2 PRO 26 1HD PRO 26 -7.091 -3.834 1.179 212 HD3 PRO 26 2HD PRO 26 -7.565 -4.291 -0.467 213 H TYR 27 H TYR 27 -2.645 -4.662 -2.015 214 HA TYR 27 HA TYR 27 -0.751 -4.311 0.274 215 HB2 TYR 27 1HB TYR 27 -1.166 -6.617 -0.657 216 HB3 TYR 27 2HB TYR 27 -0.453 -6.071 -2.176 217 HD1 TYR 27 HD2 TYR 27 0.223 -6.393 1.483 218 HD2 TYR 27 HD1 TYR 27 1.900 -6.023 -2.455 219 HE1 TYR 27 HE2 TYR 27 2.486 -6.803 2.407 220 HE2 TYR 27 HE1 TYR 27 4.163 -6.432 -1.529 221 HH TYR 27 HH TYR 27 5.042 -7.713 0.678 222 H ALA 28 H ALA 28 0.623 -2.674 0.108 223 HA ALA 28 HA ALA 28 1.880 -2.089 -2.525 224 HB1 ALA 28 3HB ALA 28 0.382 -0.354 -2.754 225 HB2 ALA 28 1HB ALA 28 1.535 0.469 -1.705 226 HB3 ALA 28 2HB ALA 28 0.075 -0.248 -1.024 227 H LEU 29 H LEU 29 3.890 -1.188 -2.363 228 HA LEU 29 HA LEU 29 5.114 -1.196 0.380 229 HB2 LEU 29 1HB LEU 29 6.495 -1.486 -2.301 230 HB3 LEU 29 2HB LEU 29 7.199 -1.741 -0.707 231 HG LEU 29 HG LEU 29 4.928 -3.365 -1.887 232 HD11 LEU 29 1HD1 LEU 29 7.854 -4.036 -1.448 233 HD12 LEU 29 2HD1 LEU 29 7.067 -3.809 -3.010 234 HD13 LEU 29 3HD1 LEU 29 6.621 -5.175 -1.987 235 HD21 LEU 29 3HD2 LEU 29 6.372 -3.381 0.766 236 HD22 LEU 29 1HD2 LEU 29 5.648 -4.860 0.134 237 HD23 LEU 29 2HD2 LEU 29 4.638 -3.452 0.449 238 H ILE 30 H ILE 30 6.002 0.628 1.112 239 HA ILE 30 HA ILE 30 6.003 3.025 -0.678 240 HB ILE 30 HB ILE 30 6.246 2.921 2.347 241 HG12 ILE 30 1HG1 ILE 30 4.098 1.956 1.724 242 HG13 ILE 30 2HG1 ILE 30 3.821 3.598 2.302 243 HG21 ILE 30 1HG2 ILE 30 5.715 5.106 0.319 244 HG22 ILE 30 2HG2 ILE 30 7.060 4.996 1.452 245 HG23 ILE 30 3HG2 ILE 30 5.432 5.316 2.045 246 HD11 ILE 30 3HD1 ILE 30 4.048 4.247 -0.235 247 HD12 ILE 30 1HD1 ILE 30 2.541 3.537 0.339 248 HD13 ILE 30 2HD1 ILE 30 3.719 2.541 -0.512 249 H ARG 31 H ARG 31 7.896 3.688 -1.427 250 HA ARG 31 HA ARG 31 10.387 3.110 0.143 251 HB2 ARG 31 1HB ARG 31 10.020 2.983 -2.865 252 HB3 ARG 31 2HB ARG 31 11.558 2.809 -2.021 253 HG2 ARG 31 1HG ARG 31 9.252 1.035 -1.237 254 HG3 ARG 31 2HG ARG 31 10.176 0.654 -2.687 255 HD2 ARG 31 1HD ARG 31 11.420 1.095 0.048 256 HD3 ARG 31 2HD ARG 31 11.058 -0.488 -0.637 257 HE ARG 31 HE ARG 31 12.599 0.857 -2.566 258 HH11 ARG 31 1HH2 ARG 31 12.885 -0.181 0.728 259 HH12 ARG 31 2HH2 ARG 31 14.600 -0.403 0.633 260 HH21 ARG 31 1HH1 ARG 31 14.822 0.577 -2.683 261 HH22 ARG 31 2HH1 ARG 31 15.692 0.024 -1.291 262 H LYS 32 H LYS 32 11.758 4.733 0.373 263 HA LYS 32 HA LYS 32 11.008 7.378 -0.789 264 HB2 LYS 32 1HB LYS 32 11.182 7.167 1.689 265 HB3 LYS 32 2HB LYS 32 12.886 6.743 1.504 266 HG2 LYS 32 1HG LYS 32 13.323 8.891 0.406 267 HG3 LYS 32 2HG LYS 32 11.615 9.314 0.519 268 HD2 LYS 32 1HD LYS 32 11.754 9.196 2.985 269 HD3 LYS 32 2HD LYS 32 13.468 8.798 2.863 270 HE2 LYS 32 1HE LYS 32 13.195 11.196 3.301 271 HE3 LYS 32 2HE LYS 32 13.869 10.947 1.690 272 HZ1 LYS 32 3HZ LYS 32 12.033 11.736 0.709 273 HZ2 LYS 32 1HZ LYS 32 11.722 12.461 2.210 274 HZ3 LYS 32 2HZ LYS 32 10.980 10.986 1.811 275 H VAL 33 H VAL 33 12.426 8.530 -1.998 276 HA VAL 33 HA VAL 33 14.398 7.194 -3.543 277 HB VAL 33 HB VAL 33 13.962 10.158 -3.038 278 HG11 VAL 33 1HG1 VAL 33 16.194 9.928 -3.884 279 HG12 VAL 33 2HG1 VAL 33 15.185 10.360 -5.265 280 HG13 VAL 33 3HG1 VAL 33 15.699 8.688 -5.036 281 HG21 VAL 33 3HG2 VAL 33 12.097 8.779 -4.083 282 HG22 VAL 33 1HG2 VAL 33 13.198 8.446 -5.420 283 HG23 VAL 33 2HG2 VAL 33 12.694 10.103 -5.086 284 H GLY 34 H GLY 34 16.505 6.832 -3.245 285 HA2 GLY 34 1HA GLY 34 18.694 7.054 -2.397 286 HA3 GLY 34 2HA GLY 34 18.157 8.439 -1.444 287 H VAL 35 H VAL 35 16.283 5.540 -1.216 288 HA VAL 35 HA VAL 35 17.637 4.795 1.360 289 HB VAL 35 HB VAL 35 14.635 4.923 0.975 290 HG11 VAL 35 1HG1 VAL 35 14.658 4.622 3.437 291 HG12 VAL 35 2HG1 VAL 35 16.414 4.496 3.397 292 HG13 VAL 35 3HG1 VAL 35 15.424 3.266 2.613 293 HG21 VAL 35 3HG2 VAL 35 15.346 7.198 1.005 294 HG22 VAL 35 1HG2 VAL 35 16.606 6.870 2.196 295 HG23 VAL 35 2HG2 VAL 35 14.909 6.846 2.677 296 HA PRO 36 HA PRO 36 17.250 1.126 -1.490 297 HB2 PRO 36 1HB PRO 36 19.465 0.344 0.383 298 HB3 PRO 36 2HB PRO 36 19.359 0.150 -1.380 299 HG2 PRO 36 1HG PRO 36 20.880 2.044 -0.313 300 HG3 PRO 36 2HG PRO 36 19.942 2.356 -1.786 301 HD2 PRO 36 1HD PRO 36 19.392 3.257 1.024 302 HD3 PRO 36 2HD PRO 36 19.098 4.103 -0.510 303 H ASP 37 H ASP 37 17.802 -1.319 -0.282 304 HA ASP 37 HA ASP 37 15.408 -2.006 1.016 305 HB2 ASP 37 1HB ASP 37 18.145 -3.300 1.114 306 HB3 ASP 37 2HB ASP 37 16.722 -4.030 1.855 307 H ARG 38 H ARG 38 14.680 -1.103 2.839 308 HA ARG 38 HA ARG 38 16.445 -1.106 5.243 309 HB2 ARG 38 1HB ARG 38 14.941 1.237 4.078 310 HB3 ARG 38 2HB ARG 38 15.247 1.156 5.814 311 HG2 ARG 38 1HG ARG 38 17.533 0.682 3.908 312 HG3 ARG 38 2HG ARG 38 17.002 2.336 4.208 313 HD2 ARG 38 1HD ARG 38 17.806 0.350 6.366 314 HD3 ARG 38 2HD ARG 38 18.817 1.660 5.762 315 HE ARG 38 HE ARG 38 16.425 2.875 6.573 316 HH11 ARG 38 1HH2 ARG 38 18.916 0.906 7.966 317 HH12 ARG 38 2HH2 ARG 38 18.742 1.595 9.546 318 HH21 ARG 38 1HH1 ARG 38 16.201 3.763 8.626 319 HH22 ARG 38 2HH1 ARG 38 17.210 3.203 9.918 320 H THR 39 H THR 39 14.900 -3.104 5.139 321 HA THR 39 HA THR 39 13.059 -4.234 6.046 322 HB THR 39 HB THR 39 13.093 -1.904 7.982 323 HG1 THR 39 HG1 THR 39 14.445 -3.511 9.138 324 HG21 THR 39 3HG2 THR 39 11.128 -3.370 8.168 325 HG22 THR 39 1HG2 THR 39 12.203 -3.604 9.546 326 HG23 THR 39 2HG2 THR 39 12.180 -4.784 8.235 327 HA PRO 40 HA PRO 40 10.185 -1.426 3.717 328 HB2 PRO 40 1HB PRO 40 9.230 -4.126 2.840 329 HB3 PRO 40 2HB PRO 40 9.558 -2.676 1.867 330 HG2 PRO 40 1HG PRO 40 11.236 -4.730 1.836 331 HG3 PRO 40 2HG PRO 40 11.845 -3.063 1.833 332 HD2 PRO 40 1HD PRO 40 11.708 -5.012 4.121 333 HD3 PRO 40 2HD PRO 40 13.002 -3.866 3.697 334 H ILE 41 H ILE 41 8.083 -0.936 4.216 335 HA ILE 41 HA ILE 41 6.650 -2.709 6.164 336 HB ILE 41 HB ILE 41 6.364 0.287 6.279 337 HG12 ILE 41 1HG1 ILE 41 8.195 -0.007 8.191 338 HG13 ILE 41 2HG1 ILE 41 8.728 -1.350 7.187 339 HG21 ILE 41 1HG2 ILE 41 4.891 -1.324 7.542 340 HG22 ILE 41 2HG2 ILE 41 5.770 -0.197 8.576 341 HG23 ILE 41 3HG2 ILE 41 6.325 -1.864 8.417 342 HD11 ILE 41 3HD1 ILE 41 8.877 1.562 6.690 343 HD12 ILE 41 1HD1 ILE 41 8.471 0.587 5.281 344 HD13 ILE 41 2HD1 ILE 41 9.964 0.287 6.170 345 HA PRO 42 HA PRO 42 4.087 -2.182 2.343 346 HB2 PRO 42 1HB PRO 42 2.693 -4.420 3.773 347 HB3 PRO 42 2HB PRO 42 3.144 -4.278 2.061 348 HG2 PRO 42 1HG PRO 42 4.528 -5.834 3.712 349 HG3 PRO 42 2HG PRO 42 5.341 -4.883 2.457 350 HD2 PRO 42 1HD PRO 42 5.196 -4.375 5.406 351 HD3 PRO 42 2HD PRO 42 6.531 -4.067 4.272 352 H THR 43 H THR 43 2.166 -1.133 2.089 353 HA THR 43 HA THR 43 0.734 -0.301 4.577 354 HB THR 43 HB THR 43 1.744 1.475 3.132 355 HG1 THR 43 HG1 THR 43 -1.078 1.546 3.089 356 HG21 THR 43 3HG2 THR 43 0.866 1.949 0.961 357 HG22 THR 43 1HG2 THR 43 -0.421 0.758 1.144 358 HG23 THR 43 2HG2 THR 43 1.251 0.227 0.964 359 H THR 44 H THR 44 -1.331 -0.797 4.864 360 HA THR 44 HA THR 44 -2.956 -1.844 2.601 361 HB THR 44 HB THR 44 -3.643 -3.792 3.862 362 HG1 THR 44 HG1 THR 44 -3.292 -3.953 5.926 363 HG21 THR 44 3HG2 THR 44 -1.390 -3.688 2.568 364 HG22 THR 44 1HG2 THR 44 -1.670 -5.049 3.651 365 HG23 THR 44 2HG2 THR 44 -0.651 -3.708 4.170 366 H TYR 45 H TYR 45 -5.257 -2.091 3.267 367 HA TYR 45 HA TYR 45 -6.006 -0.105 5.345 368 HB2 TYR 45 1HB TYR 45 -6.262 0.331 2.646 369 HB3 TYR 45 2HB TYR 45 -7.848 -0.337 3.023 370 HD1 TYR 45 HD2 TYR 45 -5.384 2.033 4.591 371 HD2 TYR 45 HD1 TYR 45 -9.482 1.227 3.606 372 HE1 TYR 45 HE2 TYR 45 -6.045 4.207 5.576 373 HE2 TYR 45 HE1 TYR 45 -10.149 3.393 4.602 374 HH TYR 45 HH TYR 45 -7.850 5.394 6.353 375 HA PRO 46 HA PRO 46 -8.546 -3.270 7.151 376 HB2 PRO 46 1HB PRO 46 -10.734 -1.207 7.173 377 HB3 PRO 46 2HB PRO 46 -10.113 -2.202 8.505 378 HG2 PRO 46 1HG PRO 46 -9.491 0.399 8.261 379 HG3 PRO 46 2HG PRO 46 -8.351 -0.788 8.919 380 HD2 PRO 46 1HD PRO 46 -8.315 0.583 6.282 381 HD3 PRO 46 2HD PRO 46 -6.981 -0.096 7.239 382 H GLU 47 H GLU 47 -9.979 -1.233 4.645 383 HA GLU 47 HA GLU 47 -12.218 -2.661 3.861 384 HB2 GLU 47 1HB GLU 47 -10.132 -1.272 2.163 385 HB3 GLU 47 2HB GLU 47 -11.642 -1.897 1.501 386 HG2 GLU 47 1HG GLU 47 -11.489 0.074 3.798 387 HG3 GLU 47 2HG GLU 47 -11.748 0.539 2.116 388 H PHE 48 H PHE 48 -12.623 -4.339 2.425 389 HA PHE 48 HA PHE 48 -10.328 -6.206 1.920 390 HB2 PHE 48 1HB PHE 48 -11.638 -7.219 3.623 391 HB3 PHE 48 2HB PHE 48 -13.148 -6.761 2.846 392 HD1 PHE 48 HD2 PHE 48 -10.040 -8.746 2.213 393 HD2 PHE 48 HD1 PHE 48 -14.241 -8.300 1.449 394 HE1 PHE 48 HE2 PHE 48 -10.049 -10.886 0.960 395 HE2 PHE 48 HE1 PHE 48 -14.246 -10.435 0.193 396 HZ PHE 48 HZ PHE 48 -12.147 -11.732 -0.050 397 H TYR 49 H TYR 49 -10.172 -7.085 -0.056 398 HA TYR 49 HA TYR 49 -12.405 -6.737 -2.001 399 HB2 TYR 49 1HB TYR 49 -9.582 -5.715 -2.359 400 HB3 TYR 49 2HB TYR 49 -10.683 -5.979 -3.710 401 HD1 TYR 49 HD1 TYR 49 -12.969 -4.824 -3.652 402 HD2 TYR 49 HD2 TYR 49 -9.725 -3.730 -1.066 403 HE1 TYR 49 HE1 TYR 49 -14.046 -2.632 -3.226 404 HE2 TYR 49 HE2 TYR 49 -10.796 -1.539 -0.643 405 HH TYR 49 HH TYR 49 -12.559 -0.256 -1.018 406 H ASP 50 H ASP 50 -12.786 -8.760 -2.587 407 HA ASP 50 HA ASP 50 -10.861 -10.907 -2.490 408 HB2 ASP 50 1HB ASP 50 -12.629 -12.168 -3.767 409 HB3 ASP 50 2HB ASP 50 -13.231 -11.413 -2.294 410 H LEU 51 H LEU 51 -11.982 -8.696 -4.972 411 HA LEU 51 HA LEU 51 -10.667 -10.093 -7.164 412 HB2 LEU 51 1HB LEU 51 -11.704 -7.244 -7.010 413 HB3 LEU 51 2HB LEU 51 -11.273 -8.109 -8.485 414 HG LEU 51 HG LEU 51 -13.441 -8.954 -6.538 415 HD11 LEU 51 1HD1 LEU 51 -14.992 -8.297 -8.334 416 HD12 LEU 51 2HD1 LEU 51 -13.634 -7.749 -9.316 417 HD13 LEU 51 3HD1 LEU 51 -14.028 -6.916 -7.811 418 HD21 LEU 51 3HD2 LEU 51 -12.754 -10.952 -7.548 419 HD22 LEU 51 1HD2 LEU 51 -12.284 -10.157 -9.050 420 HD23 LEU 51 2HD2 LEU 51 -13.990 -10.411 -8.679 421 H GLU 52 H GLU 52 -8.703 -9.792 -7.965 422 HA GLU 52 HA GLU 52 -6.680 -8.511 -6.362 423 HB2 GLU 52 1HB GLU 52 -6.304 -10.527 -7.816 424 HB3 GLU 52 2HB GLU 52 -6.479 -9.487 -9.232 425 HG2 GLU 52 1HG GLU 52 -4.598 -8.095 -8.443 426 HG3 GLU 52 2HG GLU 52 -4.419 -9.138 -7.035 427 H ALA 53 H ALA 53 -8.381 -7.653 -9.339 428 HA ALA 53 HA ALA 53 -6.790 -5.407 -10.087 429 HB1 ALA 53 3HB ALA 53 -9.752 -5.919 -10.534 430 HB2 ALA 53 1HB ALA 53 -8.442 -6.421 -11.602 431 HB3 ALA 53 2HB ALA 53 -8.794 -4.707 -11.386 432 H ASP 54 H ASP 54 -9.592 -5.676 -7.936 433 HA ASP 54 HA ASP 54 -9.974 -2.865 -7.492 434 HB2 ASP 54 1HB ASP 54 -10.707 -5.388 -5.999 435 HB3 ASP 54 2HB ASP 54 -10.976 -3.825 -5.234 436 H ALA 55 H ALA 55 -7.983 -5.304 -5.868 437 HA ALA 55 HA ALA 55 -7.114 -3.671 -3.683 438 HB1 ALA 55 3HB ALA 55 -5.139 -5.315 -3.676 439 HB2 ALA 55 1HB ALA 55 -5.908 -6.079 -5.068 440 HB3 ALA 55 2HB ALA 55 -6.745 -6.028 -3.517 441 H GLU 56 H GLU 56 -5.851 -4.147 -6.953 442 HA GLU 56 HA GLU 56 -3.415 -2.660 -6.595 443 HB2 GLU 56 1HB GLU 56 -5.072 -3.217 -9.082 444 HB3 GLU 56 2HB GLU 56 -3.448 -2.530 -9.106 445 HG2 GLU 56 1HG GLU 56 -4.161 -5.207 -7.870 446 HG3 GLU 56 2HG GLU 56 -3.462 -5.006 -9.476 447 H ARG 57 H ARG 57 -6.597 -1.737 -7.909 448 HA ARG 57 HA ARG 57 -5.930 1.013 -8.414 449 HB2 ARG 57 1HB ARG 57 -7.897 -0.162 -9.403 450 HB3 ARG 57 2HB ARG 57 -8.646 -0.207 -7.808 451 HG2 ARG 57 1HG ARG 57 -8.611 2.260 -7.717 452 HG3 ARG 57 2HG ARG 57 -7.855 2.306 -9.310 453 HD2 ARG 57 1HD ARG 57 -9.813 1.155 -10.272 454 HD3 ARG 57 2HD ARG 57 -10.578 1.123 -8.684 455 HE ARG 57 HE ARG 57 -10.278 3.486 -10.420 456 HH11 ARG 57 1HH2 ARG 57 -10.999 2.180 -7.289 457 HH12 ARG 57 2HH2 ARG 57 -11.849 3.597 -6.766 458 HH21 ARG 57 1HH1 ARG 57 -11.385 5.311 -9.740 459 HH22 ARG 57 2HH1 ARG 57 -12.065 5.361 -8.147 460 H VAL 58 H VAL 58 -7.487 -0.606 -5.665 461 HA VAL 58 HA VAL 58 -7.946 1.779 -4.126 462 HB VAL 58 HB VAL 58 -7.678 -1.128 -3.291 463 HG11 VAL 58 1HG1 VAL 58 -8.920 -0.258 -1.221 464 HG12 VAL 58 2HG1 VAL 58 -8.431 1.355 -1.736 465 HG13 VAL 58 3HG1 VAL 58 -7.208 0.152 -1.330 466 HG21 VAL 58 3HG2 VAL 58 -10.173 0.580 -3.418 467 HG22 VAL 58 1HG2 VAL 58 -10.053 -1.179 -3.360 468 HG23 VAL 58 2HG2 VAL 58 -9.597 -0.312 -4.825 469 H SER 59 H SER 59 -5.297 -0.578 -4.214 470 HA SER 59 HA SER 59 -3.789 0.371 -2.009 471 HB2 SER 59 1HB SER 59 -1.850 -0.671 -3.157 472 HB3 SER 59 2HB SER 59 -3.254 -1.726 -3.185 473 HG SER 59 HG SER 59 -2.048 -1.387 -5.228 474 H ILE 60 H ILE 60 -3.862 1.452 -5.381 475 HA ILE 60 HA ILE 60 -1.699 3.332 -5.191 476 HB ILE 60 HB ILE 60 -4.159 3.253 -6.975 477 HG12 ILE 60 1HG1 ILE 60 -1.265 2.653 -7.631 478 HG13 ILE 60 2HG1 ILE 60 -2.404 1.408 -7.121 479 HG21 ILE 60 1HG2 ILE 60 -1.764 5.094 -6.953 480 HG22 ILE 60 2HG2 ILE 60 -3.472 5.528 -6.996 481 HG23 ILE 60 3HG2 ILE 60 -2.708 4.813 -8.417 482 HD11 ILE 60 3HD1 ILE 60 -3.809 1.798 -9.034 483 HD12 ILE 60 1HD1 ILE 60 -2.156 1.671 -9.634 484 HD13 ILE 60 2HD1 ILE 60 -2.914 3.254 -9.468 485 H ALA 61 H ALA 61 -5.209 3.652 -4.758 486 HA ALA 61 HA ALA 61 -5.162 6.471 -4.119 487 HB1 ALA 61 3HB ALA 61 -7.257 4.472 -3.232 488 HB2 ALA 61 1HB ALA 61 -7.170 5.075 -4.886 489 HB3 ALA 61 2HB ALA 61 -7.471 6.192 -3.555 490 H CYS 62 H CYS 62 -5.087 3.507 -2.187 491 HA CYS 62 HA CYS 62 -5.252 4.832 0.376 492 HB2 CYS 62 1HB CYS 62 -5.668 2.326 -0.224 493 HB3 CYS 62 2HB CYS 62 -3.921 2.152 -0.054 494 HG CYS 62 HG CYS 62 -4.445 1.947 2.367 495 H ALA 63 H ALA 63 -2.602 3.776 -1.702 496 HA ALA 63 HA ALA 63 -0.433 4.143 0.093 497 HB1 ALA 63 3HB ALA 63 -0.583 4.517 -2.916 498 HB2 ALA 63 1HB ALA 63 -0.097 3.056 -2.059 499 HB3 ALA 63 2HB ALA 63 0.924 4.493 -2.000 500 H LYS 64 H LYS 64 -1.920 6.422 -2.203 501 HA LYS 64 HA LYS 64 -0.221 8.647 -1.584 502 HB2 LYS 64 1HB LYS 64 -3.060 8.510 -2.654 503 HB3 LYS 64 2HB LYS 64 -2.132 10.005 -2.550 504 HG2 LYS 64 1HG LYS 64 -0.382 9.015 -3.991 505 HG3 LYS 64 2HG LYS 64 -1.325 7.529 -4.106 506 HD2 LYS 64 1HD LYS 64 -3.165 8.744 -5.178 507 HD3 LYS 64 2HD LYS 64 -2.289 10.263 -5.001 508 HE2 LYS 64 1HE LYS 64 -2.022 9.386 -7.282 509 HE3 LYS 64 2HE LYS 64 -0.474 9.373 -6.436 510 HZ1 LYS 64 3HZ LYS 64 -0.404 7.248 -7.074 511 HZ2 LYS 64 1HZ LYS 64 -2.068 7.170 -7.393 512 HZ3 LYS 64 2HZ LYS 64 -1.498 6.966 -5.805 513 H ILE 65 H ILE 65 -3.357 7.599 -0.300 514 HA ILE 65 HA ILE 65 -3.746 9.808 1.491 515 HB ILE 65 HB ILE 65 -4.778 6.950 1.580 516 HG12 ILE 65 1HG1 ILE 65 -6.219 9.516 0.847 517 HG13 ILE 65 2HG1 ILE 65 -5.444 8.479 -0.351 518 HG21 ILE 65 1HG2 ILE 65 -5.393 9.372 3.283 519 HG22 ILE 65 2HG2 ILE 65 -4.940 7.753 3.817 520 HG23 ILE 65 3HG2 ILE 65 -6.533 8.036 3.114 521 HD11 ILE 65 3HD1 ILE 65 -6.887 6.633 0.194 522 HD12 ILE 65 1HD1 ILE 65 -7.922 8.047 -0.007 523 HD13 ILE 65 2HD1 ILE 65 -7.521 7.471 1.611 524 H ILE 66 H ILE 66 -2.293 6.597 1.921 525 HA ILE 66 HA ILE 66 -1.762 6.823 4.718 526 HB ILE 66 HB ILE 66 -0.425 5.206 2.528 527 HG12 ILE 66 1HG1 ILE 66 -2.916 4.861 3.340 528 HG13 ILE 66 2HG1 ILE 66 -1.871 3.462 3.129 529 HG21 ILE 66 1HG2 ILE 66 1.240 5.326 4.209 530 HG22 ILE 66 2HG2 ILE 66 0.388 3.820 4.553 531 HG23 ILE 66 3HG2 ILE 66 0.051 5.261 5.509 532 HD11 ILE 66 3HD1 ILE 66 -2.007 4.836 5.809 533 HD12 ILE 66 1HD1 ILE 66 -1.567 3.173 5.436 534 HD13 ILE 66 2HD1 ILE 66 -3.251 3.682 5.341 535 H ILE 67 H ILE 67 0.242 7.563 1.883 536 HA ILE 67 HA ILE 67 2.580 8.331 3.355 537 HB ILE 67 HB ILE 67 1.595 9.108 0.588 538 HG12 ILE 67 1HG1 ILE 67 3.849 7.250 1.391 539 HG13 ILE 67 2HG1 ILE 67 2.197 6.680 1.152 540 HG21 ILE 67 1HG2 ILE 67 3.110 10.840 1.193 541 HG22 ILE 67 2HG2 ILE 67 4.091 9.688 0.286 542 HG23 ILE 67 3HG2 ILE 67 4.172 9.721 2.046 543 HD11 ILE 67 3HD1 ILE 67 3.406 6.369 -0.923 544 HD12 ILE 67 1HD1 ILE 67 3.968 8.039 -0.899 545 HD13 ILE 67 2HD1 ILE 67 2.259 7.685 -1.155 546 H ASP 68 H ASP 68 -0.170 10.185 2.081 547 HA ASP 68 HA ASP 68 0.776 12.763 2.931 548 HB2 ASP 68 1HB ASP 68 -1.090 12.303 1.263 549 HB3 ASP 68 2HB ASP 68 -2.120 11.908 2.641 550 H SER 69 H SER 69 -1.371 10.363 4.427 551 HA SER 69 HA SER 69 -1.948 11.906 6.794 552 HB2 SER 69 1HB SER 69 -2.738 9.738 7.714 553 HB3 SER 69 2HB SER 69 -3.358 10.011 6.088 554 HG SER 69 HG SER 69 -2.144 8.430 5.355 555 H HIS 70 H HIS 70 0.529 9.555 5.936 556 HA HIS 70 HA HIS 70 1.670 9.151 8.514 557 HB2 HIS 70 1HB HIS 70 2.231 7.757 6.553 558 HB3 HIS 70 2HB HIS 70 3.025 9.141 5.795 559 HD1 HIS 70 HD1 HIS 70 3.309 6.961 8.898 560 HD2 HIS 70 HD2 HIS 70 5.660 9.519 6.595 561 HE1 HIS 70 HE1 HIS 70 5.659 6.807 9.830 562 H LEU 71 H LEU 71 2.432 11.513 5.973 563 HA LEU 71 HA LEU 71 4.581 12.809 7.356 564 HB2 LEU 71 1HB LEU 71 2.657 13.790 5.222 565 HB3 LEU 71 2HB LEU 71 4.049 14.719 5.769 566 HG LEU 71 HG LEU 71 4.275 11.888 4.711 567 HD11 LEU 71 1HD1 LEU 71 4.984 12.874 2.575 568 HD12 LEU 71 2HD1 LEU 71 4.679 14.492 3.207 569 HD13 LEU 71 3HD1 LEU 71 3.337 13.374 2.962 570 HD21 LEU 71 3HD2 LEU 71 6.669 12.872 4.246 571 HD22 LEU 71 1HD2 LEU 71 6.257 12.377 5.882 572 HD23 LEU 71 2HD2 LEU 71 6.220 14.082 5.443 573 H ASP 72 H ASP 72 1.112 13.470 7.191 574 HA ASP 72 HA ASP 72 1.242 15.801 8.933 575 HB2 ASP 72 1HB ASP 72 -1.042 14.051 7.969 576 HB3 ASP 72 2HB ASP 72 -1.279 15.476 8.981 577 H ARG 73 H ARG 73 1.189 12.405 9.366 578 HA ARG 73 HA ARG 73 1.161 12.739 12.298 579 HB2 ARG 73 1HB ARG 73 -1.243 12.397 11.584 580 HB3 ARG 73 2HB ARG 73 -0.768 10.807 10.983 581 HG2 ARG 73 1HG ARG 73 0.057 10.211 13.241 582 HG3 ARG 73 2HG ARG 73 -0.450 11.792 13.834 583 HD2 ARG 73 1HD ARG 73 -2.172 10.162 14.384 584 HD3 ARG 73 2HD ARG 73 -2.795 11.247 13.141 585 HE ARG 73 HE ARG 73 -1.598 8.955 11.896 586 HH11 ARG 73 1HH2 ARG 73 -4.317 9.950 13.799 587 HH12 ARG 73 2HH2 ARG 73 -5.374 8.746 13.141 588 HH21 ARG 73 1HH1 ARG 73 -2.969 7.381 11.052 589 HH22 ARG 73 2HH1 ARG 73 -4.612 7.295 11.595 590 H HIS 74 H HIS 74 3.099 11.842 12.646 591 HA HIS 74 HA HIS 74 4.181 9.646 11.092 592 HB2 HIS 74 1HB HIS 74 5.061 10.870 13.727 593 HB3 HIS 74 2HB HIS 74 5.991 9.676 12.822 594 HD1 HIS 74 HD1 HIS 74 6.551 10.436 10.244 595 HD2 HIS 74 HD2 HIS 74 5.553 13.477 12.915 596 HE1 HIS 74 HE1 HIS 74 7.320 12.603 9.183 597 H ASP 75 H ASP 75 3.149 7.755 11.231 598 HA ASP 75 HA ASP 75 2.213 6.731 13.865 599 HB2 ASP 75 1HB ASP 75 1.123 4.963 12.485 600 HB3 ASP 75 2HB ASP 75 0.611 6.586 12.030 601 H GLN 76 H GLN 76 5.036 6.841 12.399 602 HA GLN 76 HA GLN 76 7.001 5.603 12.575 603 HB2 GLN 76 1HB GLN 76 5.950 5.134 14.903 604 HB3 GLN 76 2HB GLN 76 5.521 3.560 14.235 605 HG2 GLN 76 1HG GLN 76 7.872 3.111 13.706 606 HG3 GLN 76 2HG GLN 76 8.327 4.710 14.293 607 HE21 GLN 76 2HE2 GLN 76 9.107 4.672 16.392 608 HE22 GLN 76 1HE2 GLN 76 8.649 3.558 17.588 609 H GLY 77 H GLY 77 4.431 4.829 10.892 610 HA2 GLY 77 1HA GLY 77 4.793 2.066 10.164 611 HA3 GLY 77 2HA GLY 77 3.930 3.278 9.213 612 H LEU 78 H LEU 78 6.088 5.121 8.933 613 HA LEU 78 HA LEU 78 7.883 3.579 7.085 614 HB2 LEU 78 1HB LEU 78 7.108 6.499 6.888 615 HB3 LEU 78 2HB LEU 78 7.990 5.546 5.695 616 HG LEU 78 HG LEU 78 5.129 5.042 6.578 617 HD11 LEU 78 1HD1 LEU 78 4.624 5.707 4.208 618 HD12 LEU 78 2HD1 LEU 78 6.308 6.201 4.035 619 HD13 LEU 78 3HD1 LEU 78 5.260 7.029 5.187 620 HD21 LEU 78 3HD2 LEU 78 5.961 2.925 5.962 621 HD22 LEU 78 1HD2 LEU 78 7.036 3.596 4.736 622 HD23 LEU 78 2HD2 LEU 78 5.298 3.524 4.443 623 H ALA 79 H ALA 79 8.237 4.237 10.004 624 HA ALA 79 HA ALA 79 10.232 6.298 10.268 625 HB1 ALA 79 3HB ALA 79 10.830 4.822 12.383 626 HB2 ALA 79 1HB ALA 79 9.360 3.950 11.943 627 HB3 ALA 79 2HB ALA 79 9.289 5.670 12.320 628 H ASP 80 H ASP 80 10.371 2.859 9.520 629 HA ASP 80 HA ASP 80 13.186 2.467 9.801 630 HB2 ASP 80 1HB ASP 80 11.099 1.130 8.052 631 HB3 ASP 80 2HB ASP 80 12.775 0.585 8.112 632 H LEU 81 H LEU 81 11.204 3.533 7.067 633 HA LEU 81 HA LEU 81 13.541 3.807 5.303 634 HB2 LEU 81 1HB LEU 81 10.718 4.817 4.834 635 HB3 LEU 81 2HB LEU 81 11.948 4.472 3.618 636 HG LEU 81 HG LEU 81 10.642 2.429 5.441 637 HD11 LEU 81 1HD1 LEU 81 10.347 3.012 2.482 638 HD12 LEU 81 2HD1 LEU 81 9.101 3.177 3.717 639 HD13 LEU 81 3HD1 LEU 81 9.700 1.577 3.277 640 HD21 LEU 81 3HD2 LEU 81 12.814 1.608 5.009 641 HD22 LEU 81 1HD2 LEU 81 12.840 2.270 3.375 642 HD23 LEU 81 2HD2 LEU 81 11.840 0.863 3.742 643 H GLY 82 H GLY 82 12.301 5.569 7.809 644 HA2 GLY 82 1HA GLY 82 13.958 7.828 7.452 645 HA3 GLY 82 2HA GLY 82 12.368 8.266 6.824 Start of MODEL 17 1 H1 MET 1 1H MET 1 3.947 -4.284 -12.928 2 H2 MET 1 2H MET 1 4.752 -5.761 -13.175 3 H3 MET 1 3H MET 1 5.368 -4.330 -13.851 4 HA MET 1 HA MET 1 5.059 -4.619 -10.932 5 HB2 MET 1 1HB MET 1 7.364 -5.507 -12.695 6 HB3 MET 1 2HB MET 1 7.515 -5.246 -10.955 7 HG2 MET 1 1HG MET 1 5.707 -6.898 -10.566 8 HG3 MET 1 2HG MET 1 5.610 -7.188 -12.300 9 HE1 MET 1 3HE MET 1 8.605 -9.064 -13.322 10 HE2 MET 1 1HE MET 1 8.753 -7.302 -13.310 11 HE3 MET 1 2HE MET 1 7.218 -8.059 -13.726 12 H ASN 2 H ASN 2 4.597 -2.417 -12.754 13 HA ASN 2 HA ASN 2 6.990 -0.726 -12.707 14 HB2 ASN 2 1HB ASN 2 4.109 -0.168 -13.451 15 HB3 ASN 2 2HB ASN 2 5.412 1.011 -13.602 16 HD21 ASN 2 2HD2 ASN 2 7.225 -1.489 -14.270 17 HD22 ASN 2 1HD2 ASN 2 6.915 -1.736 -15.918 18 H VAL 3 H VAL 3 7.331 1.047 -11.357 19 HA VAL 3 HA VAL 3 5.600 1.160 -8.917 20 HB VAL 3 HB VAL 3 7.632 2.235 -7.874 21 HG11 VAL 3 1HG1 VAL 3 8.782 0.099 -7.588 22 HG12 VAL 3 2HG1 VAL 3 8.029 -0.528 -9.054 23 HG13 VAL 3 3HG1 VAL 3 7.042 -0.171 -7.638 24 HG21 VAL 3 3HG2 VAL 3 9.794 1.809 -9.078 25 HG22 VAL 3 1HG2 VAL 3 8.779 3.001 -9.887 26 HG23 VAL 3 2HG2 VAL 3 8.869 1.352 -10.506 27 H ALA 4 H ALA 4 4.515 2.979 -8.491 28 HA ALA 4 HA ALA 4 4.791 5.277 -10.338 29 HB1 ALA 4 3HB ALA 4 2.794 4.801 -8.110 30 HB2 ALA 4 1HB ALA 4 2.547 4.311 -9.785 31 HB3 ALA 4 2HB ALA 4 2.680 6.022 -9.377 32 H HIS 5 H HIS 5 5.017 7.443 -9.500 33 HA HIS 5 HA HIS 5 6.504 7.559 -6.900 34 HB2 HIS 5 1HB HIS 5 6.605 9.313 -9.362 35 HB3 HIS 5 2HB HIS 5 7.443 9.687 -7.856 36 HD1 HIS 5 HD1 HIS 5 9.347 9.327 -10.051 37 HD2 HIS 5 HD2 HIS 5 7.838 6.018 -8.014 38 HE1 HIS 5 HE1 HIS 5 10.987 7.437 -10.439 39 H TYR 6 H TYR 6 5.868 9.009 -5.349 40 HA TYR 6 HA TYR 6 3.834 11.046 -5.947 41 HB2 TYR 6 1HB TYR 6 2.501 8.985 -5.533 42 HB3 TYR 6 2HB TYR 6 3.259 8.841 -3.945 43 HD1 TYR 6 HD2 TYR 6 1.379 11.289 -6.072 44 HD2 TYR 6 HD1 TYR 6 2.277 9.919 -2.100 45 HE1 TYR 6 HE2 TYR 6 -0.281 12.883 -5.148 46 HE2 TYR 6 HE1 TYR 6 0.618 11.515 -1.177 47 HH TYR 6 HH TYR 6 -1.675 12.706 -2.419 48 H ARG 7 H ARG 7 4.459 12.794 -4.862 49 HA ARG 7 HA ARG 7 5.540 14.166 -3.323 50 HB2 ARG 7 1HB ARG 7 4.613 11.926 -1.506 51 HB3 ARG 7 2HB ARG 7 5.365 13.407 -0.908 52 HG2 ARG 7 1HG ARG 7 3.615 14.749 -2.027 53 HG3 ARG 7 2HG ARG 7 2.857 13.267 -2.610 54 HD2 ARG 7 1HD ARG 7 2.536 12.521 -0.274 55 HD3 ARG 7 2HD ARG 7 3.261 14.020 0.298 56 HE ARG 7 HE ARG 7 0.571 13.727 -0.874 57 HH11 ARG 7 1HH2 ARG 7 3.166 15.792 0.107 58 HH12 ARG 7 2HH2 ARG 7 2.160 17.192 0.254 59 HH21 ARG 7 1HH1 ARG 7 -0.737 15.543 -0.682 60 HH22 ARG 7 2HH1 ARG 7 -0.046 17.054 -0.193 61 H GLY 8 H GLY 8 7.074 12.025 -4.734 62 HA2 GLY 8 1HA GLY 8 9.430 11.695 -4.807 63 HA3 GLY 8 2HA GLY 8 9.548 12.326 -3.167 64 H TYR 9 H TYR 9 7.084 10.038 -3.372 65 HA TYR 9 HA TYR 9 8.886 7.931 -2.226 66 HB2 TYR 9 1HB TYR 9 5.952 8.496 -1.768 67 HB3 TYR 9 2HB TYR 9 6.799 7.081 -1.137 68 HD1 TYR 9 HD2 TYR 9 6.598 10.784 -1.016 69 HD2 TYR 9 HD1 TYR 9 8.350 7.254 0.692 70 HE1 TYR 9 HE2 TYR 9 7.438 12.124 0.895 71 HE2 TYR 9 HE1 TYR 9 9.191 8.593 2.601 72 HH TYR 9 HH TYR 9 9.682 11.566 2.686 73 H GLU 10 H GLU 10 8.776 5.855 -3.008 74 HA GLU 10 HA GLU 10 7.457 5.518 -5.638 75 HB2 GLU 10 1HB GLU 10 9.442 3.840 -4.084 76 HB3 GLU 10 2HB GLU 10 8.768 3.356 -5.640 77 HG2 GLU 10 1HG GLU 10 9.666 5.383 -6.685 78 HG3 GLU 10 2HG GLU 10 10.290 5.927 -5.128 79 H ILE 11 H ILE 11 5.843 4.011 -6.006 80 HA ILE 11 HA ILE 11 4.762 2.554 -3.617 81 HB ILE 11 HB ILE 11 3.259 3.922 -5.861 82 HG12 ILE 11 1HG1 ILE 11 3.198 4.385 -2.864 83 HG13 ILE 11 2HG1 ILE 11 4.196 5.326 -3.971 84 HG21 ILE 11 1HG2 ILE 11 2.055 1.924 -5.373 85 HG22 ILE 11 2HG2 ILE 11 1.262 3.183 -4.429 86 HG23 ILE 11 3HG2 ILE 11 2.375 2.064 -3.645 87 HD11 ILE 11 3HD1 ILE 11 2.289 6.203 -5.104 88 HD12 ILE 11 1HD1 ILE 11 1.920 6.331 -3.384 89 HD13 ILE 11 2HD1 ILE 11 1.211 5.033 -4.344 90 H GLU 12 H GLU 12 4.539 0.415 -3.887 91 HA GLU 12 HA GLU 12 4.682 -0.703 -6.661 92 HB2 GLU 12 1HB GLU 12 6.681 -1.073 -5.071 93 HB3 GLU 12 2HB GLU 12 5.605 -2.162 -4.193 94 HG2 GLU 12 1HG GLU 12 5.157 -3.337 -6.394 95 HG3 GLU 12 2HG GLU 12 6.454 -2.368 -7.092 96 HA PRO 13 HA PRO 13 0.685 -2.066 -4.811 97 HB2 PRO 13 1HB PRO 13 -0.810 -1.995 -7.069 98 HB3 PRO 13 2HB PRO 13 -0.383 -0.520 -6.178 99 HG2 PRO 13 1HG PRO 13 0.827 -1.645 -8.663 100 HG3 PRO 13 2HG PRO 13 0.469 0.041 -8.249 101 HD2 PRO 13 1HD PRO 13 2.979 -1.110 -8.041 102 HD3 PRO 13 2HD PRO 13 2.465 0.317 -7.114 103 H GLY 14 H GLY 14 -0.349 -4.081 -4.805 104 HA2 GLY 14 1HA GLY 14 -0.305 -6.037 -6.824 105 HA3 GLY 14 2HA GLY 14 1.118 -6.329 -5.822 106 H HIS 15 H HIS 15 -2.095 -7.068 -6.167 107 HA HIS 15 HA HIS 15 -3.184 -7.074 -3.575 108 HB2 HIS 15 1HB HIS 15 -4.645 -8.873 -4.376 109 HB3 HIS 15 2HB HIS 15 -4.442 -7.642 -5.621 110 HD1 HIS 15 HD1 HIS 15 -2.551 -8.225 -7.498 111 HD2 HIS 15 HD2 HIS 15 -3.906 -11.426 -5.194 112 HE1 HIS 15 HE1 HIS 15 -1.870 -10.333 -8.726 113 H GLN 16 H GLN 16 -2.950 -8.350 -1.796 114 HA GLN 16 HA GLN 16 -1.554 -10.930 -1.978 115 HB2 GLN 16 1HB GLN 16 0.285 -9.251 -1.760 116 HB3 GLN 16 2HB GLN 16 -0.443 -8.692 -0.256 117 HG2 GLN 16 1HG GLN 16 1.345 -10.276 0.254 118 HG3 GLN 16 2HG GLN 16 -0.206 -11.002 0.673 119 HE21 GLN 16 2HE2 GLN 16 0.251 -13.214 0.254 120 HE22 GLN 16 1HE2 GLN 16 0.729 -13.798 -1.266 121 H TYR 17 H TYR 17 -1.934 -12.231 -0.144 122 HA TYR 17 HA TYR 17 -4.076 -11.219 1.669 123 HB2 TYR 17 1HB TYR 17 -4.738 -13.530 1.956 124 HB3 TYR 17 2HB TYR 17 -4.605 -13.194 0.231 125 HD1 TYR 17 HD2 TYR 17 -2.667 -14.030 -1.076 126 HD2 TYR 17 HD1 TYR 17 -3.198 -15.027 3.070 127 HE1 TYR 17 HE2 TYR 17 -1.023 -15.874 -1.308 128 HE2 TYR 17 HE1 TYR 17 -1.557 -16.871 2.836 129 HH TYR 17 HH TYR 17 0.535 -17.259 1.070 130 H ARG 18 H ARG 18 -3.745 -11.124 3.809 131 HA ARG 18 HA ARG 18 -1.047 -11.859 4.810 132 HB2 ARG 18 1HB ARG 18 -3.299 -10.186 5.946 133 HB3 ARG 18 2HB ARG 18 -1.852 -10.592 6.871 134 HG2 ARG 18 1HG ARG 18 -0.446 -9.560 5.109 135 HG3 ARG 18 2HG ARG 18 -1.900 -9.140 4.205 136 HD2 ARG 18 1HD ARG 18 -2.674 -7.727 6.054 137 HD3 ARG 18 2HD ARG 18 -1.266 -8.182 7.012 138 HE ARG 18 HE ARG 18 -0.540 -7.021 4.445 139 HH11 ARG 18 1HH2 ARG 18 -1.479 -6.410 7.709 140 HH12 ARG 18 2HH2 ARG 18 -0.726 -4.852 7.769 141 HH21 ARG 18 1HH1 ARG 18 0.446 -4.995 4.515 142 HH22 ARG 18 2HH1 ARG 18 0.362 -4.051 5.964 143 H ASP 19 H ASP 19 -0.716 -13.443 6.311 144 HA ASP 19 HA ASP 19 -2.723 -15.479 6.661 145 HB2 ASP 19 1HB ASP 19 -1.036 -16.495 8.197 146 HB3 ASP 19 2HB ASP 19 -0.343 -16.036 6.643 147 H ASP 20 H ASP 20 -1.933 -12.597 8.383 148 HA ASP 20 HA ASP 20 -2.901 -13.294 10.989 149 HB2 ASP 20 1HB ASP 20 -2.743 -10.668 9.506 150 HB3 ASP 20 2HB ASP 20 -3.283 -10.785 11.179 151 H ILE 21 H ILE 21 -4.523 -11.893 8.153 152 HA ILE 21 HA ILE 21 -7.174 -12.398 9.464 153 HB ILE 21 HB ILE 21 -8.018 -10.736 7.728 154 HG12 ILE 21 1HG1 ILE 21 -5.075 -10.049 7.480 155 HG13 ILE 21 2HG1 ILE 21 -5.946 -10.994 6.272 156 HG21 ILE 21 1HG2 ILE 21 -6.007 -9.914 9.836 157 HG22 ILE 21 2HG2 ILE 21 -7.760 -9.999 9.998 158 HG23 ILE 21 3HG2 ILE 21 -7.027 -8.758 8.981 159 HD11 ILE 21 3HD1 ILE 21 -6.956 -8.296 7.185 160 HD12 ILE 21 1HD1 ILE 21 -7.375 -9.185 5.721 161 HD13 ILE 21 2HD1 ILE 21 -5.782 -8.446 5.879 162 H ARG 22 H ARG 22 -5.052 -13.695 7.338 163 HA ARG 22 HA ARG 22 -5.212 -15.097 5.457 164 HB2 ARG 22 1HB ARG 22 -7.627 -15.927 7.094 165 HB3 ARG 22 2HB ARG 22 -6.988 -16.853 5.734 166 HG2 ARG 22 1HG ARG 22 -4.805 -17.024 6.866 167 HG3 ARG 22 2HG ARG 22 -5.436 -16.099 8.228 168 HD2 ARG 22 1HD ARG 22 -6.612 -18.724 7.273 169 HD3 ARG 22 2HD ARG 22 -5.468 -18.583 8.607 170 HE ARG 22 HE ARG 22 -8.294 -17.803 8.665 171 HH11 ARG 22 1HH2 ARG 22 -5.140 -17.493 10.039 172 HH12 ARG 22 2HH2 ARG 22 -5.727 -16.980 11.586 173 HH21 ARG 22 1HH1 ARG 22 -9.063 -17.138 10.667 174 HH22 ARG 22 2HH1 ARG 22 -7.945 -16.779 11.942 175 H LYS 23 H LYS 23 -6.355 -12.507 4.990 176 HA LYS 23 HA LYS 23 -8.347 -13.243 2.893 177 HB2 LYS 23 1HB LYS 23 -8.602 -11.072 4.975 178 HB3 LYS 23 2HB LYS 23 -9.506 -11.024 3.464 179 HG2 LYS 23 1HG LYS 23 -9.578 -13.507 5.174 180 HG3 LYS 23 2HG LYS 23 -10.603 -12.129 5.576 181 HD2 LYS 23 1HD LYS 23 -11.569 -12.173 3.305 182 HD3 LYS 23 2HD LYS 23 -10.564 -13.560 2.896 183 HE2 LYS 23 1HE LYS 23 -11.622 -14.873 4.675 184 HE3 LYS 23 2HE LYS 23 -12.625 -13.487 5.109 185 HZ1 LYS 23 3HZ LYS 23 -12.893 -13.828 2.379 186 HZ2 LYS 23 1HZ LYS 23 -14.055 -14.149 3.572 187 HZ3 LYS 23 2HZ LYS 23 -13.012 -15.385 3.049 188 H TYR 24 H TYR 24 -8.551 -11.577 1.216 189 HA TYR 24 HA TYR 24 -5.907 -10.488 0.549 190 HB2 TYR 24 1HB TYR 24 -8.523 -10.628 -0.952 191 HB3 TYR 24 2HB TYR 24 -7.072 -9.865 -1.605 192 HD1 TYR 24 HD1 TYR 24 -5.061 -11.199 -2.100 193 HD2 TYR 24 HD2 TYR 24 -8.678 -13.041 -0.699 194 HE1 TYR 24 HE1 TYR 24 -4.199 -13.416 -2.797 195 HE2 TYR 24 HE2 TYR 24 -7.817 -15.261 -1.397 196 HH TYR 24 HH TYR 24 -4.515 -15.662 -2.575 197 H VAL 25 H VAL 25 -5.326 -8.425 0.835 198 HA VAL 25 HA VAL 25 -7.412 -6.323 0.953 199 HB VAL 25 HB VAL 25 -6.452 -5.384 3.036 200 HG11 VAL 25 1HG1 VAL 25 -8.366 -7.023 3.035 201 HG12 VAL 25 2HG1 VAL 25 -7.459 -6.963 4.542 202 HG13 VAL 25 3HG1 VAL 25 -7.204 -8.291 3.408 203 HG21 VAL 25 3HG2 VAL 25 -4.188 -6.269 2.879 204 HG22 VAL 25 1HG2 VAL 25 -4.793 -7.923 2.973 205 HG23 VAL 25 2HG2 VAL 25 -4.925 -6.855 4.370 206 HA PRO 26 HA PRO 26 -4.678 -3.891 -1.563 207 HB2 PRO 26 1HB PRO 26 -4.820 -1.907 0.696 208 HB3 PRO 26 2HB PRO 26 -4.999 -1.636 -1.049 209 HG2 PRO 26 1HG PRO 26 -7.117 -1.791 0.622 210 HG3 PRO 26 2HG PRO 26 -7.188 -2.316 -1.069 211 HD2 PRO 26 1HD PRO 26 -7.272 -3.968 1.372 212 HD3 PRO 26 2HD PRO 26 -7.683 -4.413 -0.297 213 H TYR 27 H TYR 27 -2.611 -4.726 -1.596 214 HA TYR 27 HA TYR 27 -0.853 -4.217 0.787 215 HB2 TYR 27 1HB TYR 27 -1.357 -6.625 0.340 216 HB3 TYR 27 2HB TYR 27 -0.602 -6.446 -1.244 217 HD1 TYR 27 HD1 TYR 27 -0.041 -6.510 2.389 218 HD2 TYR 27 HD2 TYR 27 1.811 -6.103 -1.464 219 HE1 TYR 27 HE1 TYR 27 2.185 -6.830 3.429 220 HE2 TYR 27 HE2 TYR 27 4.041 -6.425 -0.424 221 HH TYR 27 HH TYR 27 4.388 -6.788 3.102 222 H ALA 28 H ALA 28 0.610 -2.678 0.352 223 HA ALA 28 HA ALA 28 1.973 -2.705 -2.300 224 HB1 ALA 28 3HB ALA 28 0.401 -1.018 -2.763 225 HB2 ALA 28 1HB ALA 28 1.793 -0.106 -2.194 226 HB3 ALA 28 2HB ALA 28 0.431 -0.403 -1.114 227 H LEU 29 H LEU 29 4.046 -1.644 -2.230 228 HA LEU 29 HA LEU 29 5.164 -1.403 0.542 229 HB2 LEU 29 1HB LEU 29 6.549 -2.060 -2.071 230 HB3 LEU 29 2HB LEU 29 7.330 -1.975 -0.495 231 HG LEU 29 HG LEU 29 5.049 -3.854 -1.180 232 HD11 LEU 29 1HD1 LEU 29 8.043 -4.294 -1.060 233 HD12 LEU 29 2HD1 LEU 29 6.979 -4.539 -2.445 234 HD13 LEU 29 3HD1 LEU 29 6.866 -5.606 -1.046 235 HD21 LEU 29 3HD2 LEU 29 6.733 -3.367 1.279 236 HD22 LEU 29 1HD2 LEU 29 6.068 -4.971 0.976 237 HD23 LEU 29 2HD2 LEU 29 4.988 -3.598 1.153 238 H ILE 30 H ILE 30 5.931 0.529 1.134 239 HA ILE 30 HA ILE 30 6.158 2.670 -0.943 240 HB ILE 30 HB ILE 30 5.775 2.857 2.058 241 HG12 ILE 30 1HG1 ILE 30 3.900 3.591 -0.210 242 HG13 ILE 30 2HG1 ILE 30 3.817 2.063 0.665 243 HG21 ILE 30 1HG2 ILE 30 5.353 5.304 1.432 244 HG22 ILE 30 2HG2 ILE 30 6.095 4.930 -0.123 245 HG23 ILE 30 3HG2 ILE 30 7.030 4.767 1.363 246 HD11 ILE 30 3HD1 ILE 30 3.386 3.216 2.754 247 HD12 ILE 30 1HD1 ILE 30 2.245 3.809 1.547 248 HD13 ILE 30 2HD1 ILE 30 3.647 4.784 1.989 249 H ARG 31 H ARG 31 8.135 3.504 -1.343 250 HA ARG 31 HA ARG 31 10.322 3.083 0.653 251 HB2 ARG 31 1HB ARG 31 10.419 2.511 -2.323 252 HB3 ARG 31 2HB ARG 31 11.842 2.590 -1.287 253 HG2 ARG 31 1HG ARG 31 10.963 0.771 0.105 254 HG3 ARG 31 2HG ARG 31 9.501 0.707 -0.879 255 HD2 ARG 31 1HD ARG 31 10.859 0.119 -2.857 256 HD3 ARG 31 2HD ARG 31 12.319 0.176 -1.870 257 HE ARG 31 HE ARG 31 10.565 -1.627 -0.600 258 HH11 ARG 31 1HH2 ARG 31 12.222 -1.281 -3.614 259 HH12 ARG 31 2HH2 ARG 31 12.374 -2.987 -3.869 260 HH21 ARG 31 1HH1 ARG 31 10.762 -3.847 -0.929 261 HH22 ARG 31 2HH1 ARG 31 11.551 -4.436 -2.354 262 H LYS 32 H LYS 32 11.653 4.829 0.868 263 HA LYS 32 HA LYS 32 10.854 7.304 -0.508 264 HB2 LYS 32 1HB LYS 32 11.280 7.247 1.943 265 HB3 LYS 32 2HB LYS 32 12.967 6.850 1.613 266 HG2 LYS 32 1HG LYS 32 13.259 8.945 0.393 267 HG3 LYS 32 2HG LYS 32 11.553 9.338 0.613 268 HD2 LYS 32 1HD LYS 32 11.877 9.357 3.064 269 HD3 LYS 32 2HD LYS 32 13.587 8.989 2.837 270 HE2 LYS 32 1HE LYS 32 13.879 11.077 1.566 271 HE3 LYS 32 2HE LYS 32 12.165 11.444 1.763 272 HZ1 LYS 32 3HZ LYS 32 13.957 12.387 3.407 273 HZ2 LYS 32 1HZ LYS 32 13.747 10.883 4.162 274 HZ3 LYS 32 2HZ LYS 32 12.418 11.922 3.957 275 H VAL 33 H VAL 33 12.056 8.358 -2.017 276 HA VAL 33 HA VAL 33 14.112 6.919 -3.435 277 HB VAL 33 HB VAL 33 13.179 9.792 -3.603 278 HG11 VAL 33 1HG1 VAL 33 14.282 9.628 -5.906 279 HG12 VAL 33 2HG1 VAL 33 15.111 8.196 -5.299 280 HG13 VAL 33 3HG1 VAL 33 15.380 9.762 -4.533 281 HG21 VAL 33 3HG2 VAL 33 11.561 7.921 -4.158 282 HG22 VAL 33 1HG2 VAL 33 12.665 7.447 -5.449 283 HG23 VAL 33 2HG2 VAL 33 11.889 9.030 -5.490 284 H GLY 34 H GLY 34 16.288 7.021 -3.229 285 HA2 GLY 34 1HA GLY 34 18.367 8.211 -2.766 286 HA3 GLY 34 2HA GLY 34 17.515 9.178 -1.561 287 H VAL 35 H VAL 35 16.112 6.783 -0.483 288 HA VAL 35 HA VAL 35 18.315 5.118 0.574 289 HB VAL 35 HB VAL 35 17.327 5.585 2.951 290 HG11 VAL 35 1HG1 VAL 35 18.934 7.727 1.526 291 HG12 VAL 35 2HG1 VAL 35 19.603 6.241 2.200 292 HG13 VAL 35 3HG1 VAL 35 18.887 7.451 3.266 293 HG21 VAL 35 3HG2 VAL 35 16.621 8.197 1.595 294 HG22 VAL 35 1HG2 VAL 35 16.269 7.713 3.253 295 HG23 VAL 35 2HG2 VAL 35 15.424 6.943 1.909 296 HA PRO 36 HA PRO 36 14.040 3.132 0.179 297 HB2 PRO 36 1HB PRO 36 14.366 1.726 -2.122 298 HB3 PRO 36 2HB PRO 36 13.835 3.420 -2.129 299 HG2 PRO 36 1HG PRO 36 16.552 2.292 -2.642 300 HG3 PRO 36 2HG PRO 36 15.698 3.596 -3.489 301 HD2 PRO 36 1HD PRO 36 17.631 4.049 -1.573 302 HD3 PRO 36 2HD PRO 36 16.311 5.186 -1.929 303 H ASP 37 H ASP 37 17.324 2.270 0.225 304 HA ASP 37 HA ASP 37 16.843 -0.623 0.600 305 HB2 ASP 37 1HB ASP 37 19.303 -0.765 0.746 306 HB3 ASP 37 2HB ASP 37 18.799 0.102 -0.704 307 H ARG 38 H ARG 38 15.472 0.567 2.547 308 HA ARG 38 HA ARG 38 17.184 0.361 4.999 309 HB2 ARG 38 1HB ARG 38 14.818 2.128 4.380 310 HB3 ARG 38 2HB ARG 38 15.297 1.783 6.042 311 HG2 ARG 38 1HG ARG 38 17.605 2.604 5.475 312 HG3 ARG 38 2HG ARG 38 16.993 3.075 3.891 313 HD2 ARG 38 1HD ARG 38 15.669 4.054 6.411 314 HD3 ARG 38 2HD ARG 38 17.071 4.881 5.739 315 HE ARG 38 HE ARG 38 15.128 4.487 3.680 316 HH11 ARG 38 1HH2 ARG 38 15.740 6.270 6.574 317 HH12 ARG 38 2HH2 ARG 38 14.791 7.633 6.084 318 HH21 ARG 38 1HH1 ARG 38 13.900 6.250 3.039 319 HH22 ARG 38 2HH1 ARG 38 13.751 7.621 4.087 320 H THR 39 H THR 39 13.882 0.681 5.527 321 HA THR 39 HA THR 39 13.477 -2.273 5.764 322 HB THR 39 HB THR 39 12.743 -0.224 7.869 323 HG1 THR 39 HG1 THR 39 14.879 -2.037 7.563 324 HG21 THR 39 3HG2 THR 39 11.228 -2.166 7.753 325 HG22 THR 39 1HG2 THR 39 12.218 -2.231 9.210 326 HG23 THR 39 2HG2 THR 39 12.615 -3.253 7.828 327 HA PRO 40 HA PRO 40 10.045 -0.273 3.350 328 HB2 PRO 40 1HB PRO 40 9.811 -3.182 2.632 329 HB3 PRO 40 2HB PRO 40 9.709 -1.750 1.583 330 HG2 PRO 40 1HG PRO 40 11.895 -3.211 1.576 331 HG3 PRO 40 2HG PRO 40 12.013 -1.440 1.578 332 HD2 PRO 40 1HD PRO 40 12.413 -3.343 3.875 333 HD3 PRO 40 2HD PRO 40 13.341 -1.887 3.446 334 H ILE 41 H ILE 41 7.906 -0.147 3.961 335 HA ILE 41 HA ILE 41 6.913 -2.194 5.898 336 HB ILE 41 HB ILE 41 6.233 0.749 5.937 337 HG12 ILE 41 1HG1 ILE 41 7.635 0.345 8.233 338 HG13 ILE 41 2HG1 ILE 41 8.445 -0.840 7.214 339 HG21 ILE 41 1HG2 ILE 41 5.768 -1.454 7.974 340 HG22 ILE 41 2HG2 ILE 41 4.540 -0.867 6.853 341 HG23 ILE 41 3HG2 ILE 41 5.201 0.210 8.082 342 HD11 ILE 41 3HD1 ILE 41 8.064 2.080 6.506 343 HD12 ILE 41 1HD1 ILE 41 8.964 0.895 5.569 344 HD13 ILE 41 2HD1 ILE 41 9.545 1.385 7.153 345 HA PRO 42 HA PRO 42 3.733 -2.478 2.740 346 HB2 PRO 42 1HB PRO 42 1.993 -4.142 4.059 347 HB3 PRO 42 2HB PRO 42 3.501 -4.702 3.313 348 HG2 PRO 42 1HG PRO 42 2.915 -4.117 6.178 349 HG3 PRO 42 2HG PRO 42 3.884 -5.421 5.466 350 HD2 PRO 42 1HD PRO 42 4.982 -3.162 6.574 351 HD3 PRO 42 2HD PRO 42 5.772 -4.101 5.286 352 H THR 43 H THR 43 1.835 -1.414 2.254 353 HA THR 43 HA THR 43 0.453 0.009 4.503 354 HB THR 43 HB THR 43 1.752 1.521 3.013 355 HG1 THR 43 HG1 THR 43 -0.263 2.732 2.381 356 HG21 THR 43 3HG2 THR 43 -0.225 0.714 0.869 357 HG22 THR 43 1HG2 THR 43 1.429 0.102 0.945 358 HG23 THR 43 2HG2 THR 43 1.134 1.825 0.714 359 H THR 44 H THR 44 -1.659 -0.404 4.700 360 HA THR 44 HA THR 44 -3.182 -1.461 2.367 361 HB THR 44 HB THR 44 -3.971 -3.352 3.498 362 HG1 THR 44 HG1 THR 44 -2.975 -2.945 5.977 363 HG21 THR 44 3HG2 THR 44 -1.220 -3.013 4.708 364 HG22 THR 44 1HG2 THR 44 -1.497 -3.449 3.022 365 HG23 THR 44 2HG2 THR 44 -2.034 -4.527 4.312 366 H TYR 45 H TYR 45 -5.580 -1.436 2.870 367 HA TYR 45 HA TYR 45 -6.231 0.884 4.649 368 HB2 TYR 45 1HB TYR 45 -6.468 1.396 2.256 369 HB3 TYR 45 2HB TYR 45 -7.601 0.055 2.088 370 HD1 TYR 45 HD1 TYR 45 -7.035 3.322 3.787 371 HD2 TYR 45 HD2 TYR 45 -9.886 0.272 2.769 372 HE1 TYR 45 HE1 TYR 45 -8.881 4.798 4.537 373 HE2 TYR 45 HE2 TYR 45 -11.730 1.750 3.519 374 HH TYR 45 HH TYR 45 -12.242 3.955 3.998 375 HA PRO 46 HA PRO 46 -8.550 -2.234 7.007 376 HB2 PRO 46 1HB PRO 46 -10.268 0.186 7.508 377 HB3 PRO 46 2HB PRO 46 -9.664 -1.023 8.661 378 HG2 PRO 46 1HG PRO 46 -8.527 1.384 8.447 379 HG3 PRO 46 2HG PRO 46 -7.567 -0.072 8.767 380 HD2 PRO 46 1HD PRO 46 -7.746 1.543 6.274 381 HD3 PRO 46 2HD PRO 46 -6.430 0.496 6.857 382 H GLU 47 H GLU 47 -9.231 -3.190 4.883 383 HA GLU 47 HA GLU 47 -12.092 -3.292 4.657 384 HB2 GLU 47 1HB GLU 47 -11.706 -1.096 3.520 385 HB3 GLU 47 2HB GLU 47 -10.661 -1.916 2.359 386 HG2 GLU 47 1HG GLU 47 -12.491 -3.292 1.585 387 HG3 GLU 47 2HG GLU 47 -13.550 -2.681 2.856 388 H PHE 48 H PHE 48 -12.746 -4.881 3.020 389 HA PHE 48 HA PHE 48 -10.492 -6.692 2.224 390 HB2 PHE 48 1HB PHE 48 -13.408 -7.341 2.707 391 HB3 PHE 48 2HB PHE 48 -12.144 -8.500 2.299 392 HD1 PHE 48 HD1 PHE 48 -10.227 -8.853 3.889 393 HD2 PHE 48 HD2 PHE 48 -13.692 -6.550 4.943 394 HE1 PHE 48 HE1 PHE 48 -9.637 -9.068 6.287 395 HE2 PHE 48 HE2 PHE 48 -13.100 -6.759 7.343 396 HZ PHE 48 HZ PHE 48 -11.073 -8.020 8.015 397 H TYR 49 H TYR 49 -10.346 -7.326 0.097 398 HA TYR 49 HA TYR 49 -12.533 -6.511 -1.775 399 HB2 TYR 49 1HB TYR 49 -9.604 -5.788 -1.913 400 HB3 TYR 49 2HB TYR 49 -10.559 -5.919 -3.388 401 HD1 TYR 49 HD2 TYR 49 -12.514 -4.451 -3.757 402 HD2 TYR 49 HD1 TYR 49 -9.945 -3.967 -0.355 403 HE1 TYR 49 HE2 TYR 49 -13.458 -2.193 -3.368 404 HE2 TYR 49 HE1 TYR 49 -10.883 -1.707 0.036 405 HH TYR 49 HH TYR 49 -12.143 -0.062 -0.865 406 H ASP 50 H ASP 50 -13.028 -8.095 -3.162 407 HA ASP 50 HA ASP 50 -11.412 -10.577 -3.132 408 HB2 ASP 50 1HB ASP 50 -13.901 -10.625 -2.782 409 HB3 ASP 50 2HB ASP 50 -14.097 -10.012 -4.422 410 H LEU 51 H LEU 51 -12.188 -7.861 -5.169 411 HA LEU 51 HA LEU 51 -11.223 -9.202 -7.620 412 HB2 LEU 51 1HB LEU 51 -12.032 -6.314 -7.174 413 HB3 LEU 51 2HB LEU 51 -11.761 -7.088 -8.735 414 HG LEU 51 HG LEU 51 -13.873 -7.907 -6.716 415 HD11 LEU 51 1HD1 LEU 51 -15.445 -7.036 -8.468 416 HD12 LEU 51 2HD1 LEU 51 -14.053 -6.395 -9.340 417 HD13 LEU 51 3HD1 LEU 51 -14.449 -5.778 -7.735 418 HD21 LEU 51 3HD2 LEU 51 -13.396 -9.874 -7.910 419 HD22 LEU 51 1HD2 LEU 51 -12.994 -8.999 -9.389 420 HD23 LEU 51 2HD2 LEU 51 -14.675 -9.164 -8.887 421 H GLU 52 H GLU 52 -9.240 -8.901 -8.526 422 HA GLU 52 HA GLU 52 -7.099 -7.830 -6.901 423 HB2 GLU 52 1HB GLU 52 -6.781 -9.710 -8.490 424 HB3 GLU 52 2HB GLU 52 -7.112 -8.608 -9.828 425 HG2 GLU 52 1HG GLU 52 -5.173 -7.248 -9.245 426 HG3 GLU 52 2HG GLU 52 -4.869 -8.246 -7.827 427 H ALA 53 H ALA 53 -8.911 -6.683 -9.707 428 HA ALA 53 HA ALA 53 -7.336 -4.407 -10.356 429 HB1 ALA 53 3HB ALA 53 -10.332 -4.819 -10.522 430 HB2 ALA 53 1HB ALA 53 -9.160 -5.170 -11.794 431 HB3 ALA 53 2HB ALA 53 -9.464 -3.501 -11.307 432 H ASP 54 H ASP 54 -10.104 -4.720 -8.140 433 HA ASP 54 HA ASP 54 -10.107 -1.997 -7.251 434 HB2 ASP 54 1HB ASP 54 -11.050 -4.566 -5.967 435 HB3 ASP 54 2HB ASP 54 -11.303 -2.982 -5.236 436 H ALA 55 H ALA 55 -8.485 -4.910 -6.025 437 HA ALA 55 HA ALA 55 -7.371 -3.769 -3.665 438 HB1 ALA 55 3HB ALA 55 -6.318 -5.955 -5.475 439 HB2 ALA 55 1HB ALA 55 -7.335 -6.176 -4.050 440 HB3 ALA 55 2HB ALA 55 -5.676 -5.602 -3.873 441 H GLU 56 H GLU 56 -6.110 -3.917 -6.991 442 HA GLU 56 HA GLU 56 -3.592 -2.643 -6.364 443 HB2 GLU 56 1HB GLU 56 -5.121 -2.951 -8.956 444 HB3 GLU 56 2HB GLU 56 -3.505 -2.252 -8.859 445 HG2 GLU 56 1HG GLU 56 -2.651 -4.334 -7.872 446 HG3 GLU 56 2HG GLU 56 -4.270 -5.030 -7.914 447 H ARG 57 H ARG 57 -6.674 -1.427 -7.666 448 HA ARG 57 HA ARG 57 -5.786 1.296 -7.958 449 HB2 ARG 57 1HB ARG 57 -7.785 0.366 -9.100 450 HB3 ARG 57 2HB ARG 57 -8.592 0.238 -7.538 451 HG2 ARG 57 1HG ARG 57 -8.471 2.649 -7.222 452 HG3 ARG 57 2HG ARG 57 -7.533 2.827 -8.705 453 HD2 ARG 57 1HD ARG 57 -10.337 1.673 -8.612 454 HD3 ARG 57 2HD ARG 57 -9.976 3.357 -8.989 455 HE ARG 57 HE ARG 57 -8.400 1.817 -10.731 456 HH11 ARG 57 1HH2 ARG 57 -11.735 2.302 -9.989 457 HH12 ARG 57 2HH2 ARG 57 -12.274 1.962 -11.600 458 HH21 ARG 57 1HH1 ARG 57 -9.087 1.376 -12.824 459 HH22 ARG 57 2HH1 ARG 57 -10.776 1.438 -13.205 460 H VAL 58 H VAL 58 -7.510 -0.403 -5.358 461 HA VAL 58 HA VAL 58 -7.850 1.904 -3.681 462 HB VAL 58 HB VAL 58 -7.738 -1.050 -3.038 463 HG11 VAL 58 1HG1 VAL 58 -8.307 1.352 -1.291 464 HG12 VAL 58 2HG1 VAL 58 -7.194 0.018 -0.984 465 HG13 VAL 58 3HG1 VAL 58 -8.935 -0.250 -0.900 466 HG21 VAL 58 3HG2 VAL 58 -9.613 -0.054 -4.488 467 HG22 VAL 58 1HG2 VAL 58 -10.118 0.816 -3.040 468 HG23 VAL 58 2HG2 VAL 58 -10.117 -0.948 -3.053 469 H SER 59 H SER 59 -5.311 -0.585 -3.841 470 HA SER 59 HA SER 59 -3.806 0.301 -1.590 471 HB2 SER 59 1HB SER 59 -1.908 -0.868 -2.656 472 HB3 SER 59 2HB SER 59 -3.373 -1.840 -2.731 473 HG SER 59 HG SER 59 -2.783 -1.877 -4.784 474 H ILE 60 H ILE 60 -3.667 1.286 -5.004 475 HA ILE 60 HA ILE 60 -1.453 3.093 -4.706 476 HB ILE 60 HB ILE 60 -3.739 2.998 -6.688 477 HG12 ILE 60 1HG1 ILE 60 -0.821 2.275 -7.042 478 HG13 ILE 60 2HG1 ILE 60 -2.043 1.100 -6.559 479 HG21 ILE 60 1HG2 ILE 60 -2.965 5.251 -6.757 480 HG22 ILE 60 2HG2 ILE 60 -2.136 4.432 -8.079 481 HG23 ILE 60 3HG2 ILE 60 -1.282 4.757 -6.571 482 HD11 ILE 60 3HD1 ILE 60 -2.327 2.807 -9.040 483 HD12 ILE 60 1HD1 ILE 60 -3.246 1.365 -8.606 484 HD13 ILE 60 2HD1 ILE 60 -1.549 1.224 -9.060 485 H ALA 61 H ALA 61 -4.978 3.600 -4.565 486 HA ALA 61 HA ALA 61 -4.801 6.438 -4.071 487 HB1 ALA 61 3HB ALA 61 -6.857 5.255 -4.890 488 HB2 ALA 61 1HB ALA 61 -7.160 6.282 -3.489 489 HB3 ALA 61 2HB ALA 61 -7.024 4.535 -3.289 490 H CYS 62 H CYS 62 -4.998 3.589 -1.993 491 HA CYS 62 HA CYS 62 -5.190 5.043 0.493 492 HB2 CYS 62 1HB CYS 62 -5.867 2.742 0.472 493 HB3 CYS 62 2HB CYS 62 -4.319 2.232 -0.195 494 HG CYS 62 HG CYS 62 -3.858 3.605 2.448 495 H ALA 63 H ALA 63 -2.494 3.754 -1.406 496 HA ALA 63 HA ALA 63 -0.401 4.160 0.464 497 HB1 ALA 63 3HB ALA 63 -0.118 2.968 -1.691 498 HB2 ALA 63 1HB ALA 63 1.085 4.243 -1.497 499 HB3 ALA 63 2HB ALA 63 -0.310 4.500 -2.544 500 H LYS 64 H LYS 64 -1.724 6.395 -1.984 501 HA LYS 64 HA LYS 64 0.038 8.570 -1.374 502 HB2 LYS 64 1HB LYS 64 -2.767 8.535 -2.508 503 HB3 LYS 64 2HB LYS 64 -1.755 9.978 -2.442 504 HG2 LYS 64 1HG LYS 64 -0.040 8.833 -3.803 505 HG3 LYS 64 2HG LYS 64 -1.059 7.395 -3.874 506 HD2 LYS 64 1HD LYS 64 -2.827 8.698 -5.002 507 HD3 LYS 64 2HD LYS 64 -1.807 10.136 -4.937 508 HE2 LYS 64 1HE LYS 64 -0.095 8.982 -6.296 509 HE3 LYS 64 2HE LYS 64 -1.126 7.553 -6.372 510 HZ1 LYS 64 3HZ LYS 64 -1.647 10.234 -7.517 511 HZ2 LYS 64 1HZ LYS 64 -2.861 9.061 -7.352 512 HZ3 LYS 64 2HZ LYS 64 -1.513 8.754 -8.339 513 H ILE 65 H ILE 65 -3.192 7.727 -0.148 514 HA ILE 65 HA ILE 65 -3.453 10.006 1.584 515 HB ILE 65 HB ILE 65 -4.709 7.252 1.700 516 HG12 ILE 65 1HG1 ILE 65 -5.897 9.915 0.873 517 HG13 ILE 65 2HG1 ILE 65 -5.198 8.774 -0.275 518 HG21 ILE 65 1HG2 ILE 65 -4.859 8.122 3.920 519 HG22 ILE 65 2HG2 ILE 65 -6.411 8.486 3.167 520 HG23 ILE 65 3HG2 ILE 65 -5.195 9.752 3.335 521 HD11 ILE 65 3HD1 ILE 65 -7.722 8.599 0.042 522 HD12 ILE 65 1HD1 ILE 65 -7.389 8.001 1.667 523 HD13 ILE 65 2HD1 ILE 65 -6.824 7.097 0.262 524 H ILE 66 H ILE 66 -2.216 6.714 2.121 525 HA ILE 66 HA ILE 66 -1.714 7.003 4.926 526 HB ILE 66 HB ILE 66 -0.406 5.270 2.816 527 HG12 ILE 66 1HG1 ILE 66 -2.927 5.040 3.562 528 HG13 ILE 66 2HG1 ILE 66 -1.930 3.601 3.411 529 HG21 ILE 66 1HG2 ILE 66 1.225 5.349 4.525 530 HG22 ILE 66 2HG2 ILE 66 0.291 3.901 4.899 531 HG23 ILE 66 3HG2 ILE 66 0.009 5.387 5.804 532 HD11 ILE 66 3HD1 ILE 66 -3.361 3.893 5.571 533 HD12 ILE 66 1HD1 ILE 66 -2.113 5.040 6.054 534 HD13 ILE 66 2HD1 ILE 66 -1.688 3.361 5.737 535 H ILE 67 H ILE 67 0.358 7.570 2.093 536 HA ILE 67 HA ILE 67 2.707 8.304 3.561 537 HB ILE 67 HB ILE 67 1.723 9.059 0.798 538 HG12 ILE 67 1HG1 ILE 67 3.969 7.189 1.569 539 HG13 ILE 67 2HG1 ILE 67 2.308 6.629 1.395 540 HG21 ILE 67 1HG2 ILE 67 3.259 10.780 1.360 541 HG22 ILE 67 2HG2 ILE 67 4.206 9.609 0.443 542 HG23 ILE 67 3HG2 ILE 67 4.331 9.659 2.202 543 HD11 ILE 67 3HD1 ILE 67 3.773 6.413 -0.685 544 HD12 ILE 67 1HD1 ILE 67 3.740 8.174 -0.779 545 HD13 ILE 67 2HD1 ILE 67 2.240 7.256 -0.913 546 H ASP 68 H ASP 68 0.040 10.237 2.228 547 HA ASP 68 HA ASP 68 1.064 12.785 3.063 548 HB2 ASP 68 1HB ASP 68 -0.716 12.445 1.341 549 HB3 ASP 68 2HB ASP 68 -1.818 11.963 2.629 550 H SER 69 H SER 69 -1.173 10.485 4.577 551 HA SER 69 HA SER 69 -1.769 12.117 6.872 552 HB2 SER 69 1HB SER 69 -2.583 10.001 7.864 553 HB3 SER 69 2HB SER 69 -3.178 10.211 6.221 554 HG SER 69 HG SER 69 -0.783 8.818 6.796 555 H HIS 70 H HIS 70 0.741 9.746 6.168 556 HA HIS 70 HA HIS 70 1.812 9.463 8.793 557 HB2 HIS 70 1HB HIS 70 2.447 8.023 6.891 558 HB3 HIS 70 2HB HIS 70 3.248 9.396 6.128 559 HD1 HIS 70 HD1 HIS 70 3.493 7.214 9.226 560 HD2 HIS 70 HD2 HIS 70 5.833 9.885 7.042 561 HE1 HIS 70 HE1 HIS 70 5.824 7.097 10.211 562 H LEU 71 H LEU 71 2.568 11.784 6.210 563 HA LEU 71 HA LEU 71 4.657 13.160 7.610 564 HB2 LEU 71 1HB LEU 71 2.727 14.082 5.471 565 HB3 LEU 71 2HB LEU 71 4.095 15.043 6.023 566 HG LEU 71 HG LEU 71 4.346 12.228 4.926 567 HD11 LEU 71 1HD1 LEU 71 4.608 14.911 3.545 568 HD12 LEU 71 2HD1 LEU 71 3.509 13.594 3.134 569 HD13 LEU 71 3HD1 LEU 71 5.243 13.407 2.874 570 HD21 LEU 71 3HD2 LEU 71 6.767 13.243 4.533 571 HD22 LEU 71 1HD2 LEU 71 6.324 12.609 6.115 572 HD23 LEU 71 2HD2 LEU 71 6.293 14.348 5.822 573 H ASP 72 H ASP 72 1.152 13.706 7.451 574 HA ASP 72 HA ASP 72 1.326 16.017 9.249 575 HB2 ASP 72 1HB ASP 72 -0.991 14.492 8.059 576 HB3 ASP 72 2HB ASP 72 -1.198 15.861 9.150 577 H ARG 73 H ARG 73 -0.852 13.224 9.583 578 HA ARG 73 HA ARG 73 -0.172 13.159 12.503 579 HB2 ARG 73 1HB ARG 73 -2.563 13.665 11.704 580 HB3 ARG 73 2HB ARG 73 -2.639 11.974 11.220 581 HG2 ARG 73 1HG ARG 73 -2.044 11.313 13.560 582 HG3 ARG 73 2HG ARG 73 -2.051 13.010 14.013 583 HD2 ARG 73 1HD ARG 73 -4.186 12.076 14.620 584 HD3 ARG 73 2HD ARG 73 -4.438 13.134 13.233 585 HE ARG 73 HE ARG 73 -3.956 10.465 12.314 586 HH11 ARG 73 1HH2 ARG 73 -6.285 12.426 13.936 587 HH12 ARG 73 2HH2 ARG 73 -7.638 11.495 13.390 588 HH21 ARG 73 1HH1 ARG 73 -5.707 9.244 11.602 589 HH22 ARG 73 2HH1 ARG 73 -7.313 9.695 12.069 590 H HIS 74 H HIS 74 -1.961 10.523 11.949 591 HA HIS 74 HA HIS 74 -1.378 8.271 12.266 592 HB2 HIS 74 1HB HIS 74 -0.364 9.131 9.562 593 HB3 HIS 74 2HB HIS 74 -0.139 7.465 10.094 594 HD1 HIS 74 HD1 HIS 74 -3.082 9.920 10.254 595 HD2 HIS 74 HD2 HIS 74 -2.272 5.966 9.209 596 HE1 HIS 74 HE1 HIS 74 -5.288 8.901 9.537 597 H ASP 75 H ASP 75 -0.023 8.405 14.081 598 HA ASP 75 HA ASP 75 2.809 8.938 13.871 599 HB2 ASP 75 1HB ASP 75 1.495 9.240 15.965 600 HB3 ASP 75 2HB ASP 75 1.295 7.492 16.060 601 H GLN 76 H GLN 76 4.518 7.448 13.914 602 HA GLN 76 HA GLN 76 5.640 5.493 13.331 603 HB2 GLN 76 1HB GLN 76 3.195 4.235 14.613 604 HB3 GLN 76 2HB GLN 76 4.659 3.360 14.176 605 HG2 GLN 76 1HG GLN 76 4.607 5.747 16.038 606 HG3 GLN 76 2HG GLN 76 4.603 4.071 16.582 607 HE21 GLN 76 2HE2 GLN 76 6.699 6.545 16.330 608 HE22 GLN 76 1HE2 GLN 76 8.121 5.715 15.913 609 H GLY 77 H GLY 77 5.786 3.956 11.668 610 HA2 GLY 77 1HA GLY 77 4.202 2.558 10.101 611 HA3 GLY 77 2HA GLY 77 3.621 4.153 9.624 612 H LEU 78 H LEU 78 5.285 5.665 8.752 613 HA LEU 78 HA LEU 78 7.344 4.181 7.167 614 HB2 LEU 78 1HB LEU 78 6.218 6.927 6.611 615 HB3 LEU 78 2HB LEU 78 7.102 5.881 5.501 616 HG LEU 78 HG LEU 78 4.356 5.323 6.675 617 HD11 LEU 78 1HD1 LEU 78 4.298 7.026 4.922 618 HD12 LEU 78 2HD1 LEU 78 3.624 5.516 4.307 619 HD13 LEU 78 3HD1 LEU 78 5.260 5.999 3.861 620 HD21 LEU 78 3HD2 LEU 78 6.229 3.695 4.953 621 HD22 LEU 78 1HD2 LEU 78 4.488 3.427 4.906 622 HD23 LEU 78 2HD2 LEU 78 5.373 3.201 6.412 623 H ALA 79 H ALA 79 7.551 5.297 9.980 624 HA ALA 79 HA ALA 79 9.224 7.632 9.938 625 HB1 ALA 79 3HB ALA 79 9.298 5.384 11.964 626 HB2 ALA 79 1HB ALA 79 8.060 6.642 11.965 627 HB3 ALA 79 2HB ALA 79 9.752 7.067 12.226 628 H ASP 80 H ASP 80 9.913 4.168 9.728 629 HA ASP 80 HA ASP 80 12.770 4.353 9.924 630 HB2 ASP 80 1HB ASP 80 10.831 2.334 8.831 631 HB3 ASP 80 2HB ASP 80 12.550 2.125 8.507 632 H LEU 81 H LEU 81 10.537 4.642 7.207 633 HA LEU 81 HA LEU 81 12.722 4.816 5.254 634 HB2 LEU 81 1HB LEU 81 9.758 5.379 4.935 635 HB3 LEU 81 2HB LEU 81 10.925 5.204 3.623 636 HG LEU 81 HG LEU 81 10.226 3.065 5.657 637 HD11 LEU 81 1HD1 LEU 81 9.399 3.548 2.793 638 HD12 LEU 81 2HD1 LEU 81 8.376 3.243 4.195 639 HD13 LEU 81 3HD1 LEU 81 9.341 1.940 3.510 640 HD21 LEU 81 3HD2 LEU 81 11.514 1.682 3.789 641 HD22 LEU 81 1HD2 LEU 81 12.417 2.528 5.044 642 HD23 LEU 81 2HD2 LEU 81 12.257 3.242 3.439 643 H GLY 82 H GLY 82 12.102 6.821 7.582 644 HA2 GLY 82 1HA GLY 82 13.320 9.095 6.678 645 HA3 GLY 82 2HA GLY 82 11.660 9.325 6.122 Start of MODEL 18 1 H1 MET 1 1H MET 1 1.245 -0.172 -13.716 2 H2 MET 1 2H MET 1 0.291 -1.561 -13.926 3 H3 MET 1 3H MET 1 1.194 -0.943 -15.226 4 HA MET 1 HA MET 1 2.052 -2.574 -12.970 5 HB2 MET 1 1HB MET 1 2.910 -2.188 -15.856 6 HB3 MET 1 2HB MET 1 3.676 -3.327 -14.750 7 HG2 MET 1 1HG MET 1 1.502 -4.467 -14.425 8 HG3 MET 1 2HG MET 1 0.751 -3.339 -15.554 9 HE1 MET 1 3HE MET 1 -0.028 -5.113 -17.559 10 HE2 MET 1 1HE MET 1 0.147 -5.933 -16.002 11 HE3 MET 1 2HE MET 1 0.793 -6.668 -17.466 12 H ASN 2 H ASN 2 2.847 0.436 -14.549 13 HA ASN 2 HA ASN 2 5.589 0.565 -13.615 14 HB2 ASN 2 1HB ASN 2 3.675 2.664 -14.663 15 HB3 ASN 2 2HB ASN 2 5.349 3.011 -14.230 16 HD21 ASN 2 2HD2 ASN 2 5.834 0.014 -15.248 17 HD22 ASN 2 1HD2 ASN 2 5.996 0.238 -16.919 18 H VAL 3 H VAL 3 6.415 1.730 -11.850 19 HA VAL 3 HA VAL 3 4.664 1.897 -9.541 20 HB VAL 3 HB VAL 3 6.687 2.652 -8.355 21 HG11 VAL 3 1HG1 VAL 3 6.332 0.237 -8.858 22 HG12 VAL 3 2HG1 VAL 3 8.042 0.657 -8.766 23 HG13 VAL 3 3HG1 VAL 3 7.273 0.431 -10.337 24 HG21 VAL 3 3HG2 VAL 3 7.714 4.105 -9.969 25 HG22 VAL 3 1HG2 VAL 3 7.794 2.817 -11.172 26 HG23 VAL 3 2HG2 VAL 3 8.825 2.755 -9.742 27 H ALA 4 H ALA 4 3.704 3.692 -8.678 28 HA ALA 4 HA ALA 4 3.836 6.199 -10.256 29 HB1 ALA 4 3HB ALA 4 2.049 5.437 -7.930 30 HB2 ALA 4 1HB ALA 4 1.637 5.216 -9.630 31 HB3 ALA 4 2HB ALA 4 1.855 6.841 -8.979 32 H HIS 5 H HIS 5 4.113 8.259 -9.166 33 HA HIS 5 HA HIS 5 5.860 8.079 -6.733 34 HB2 HIS 5 1HB HIS 5 5.735 10.129 -8.960 35 HB3 HIS 5 2HB HIS 5 6.743 10.283 -7.520 36 HD1 HIS 5 HD1 HIS 5 8.309 10.175 -10.043 37 HD2 HIS 5 HD2 HIS 5 7.097 6.686 -8.109 38 HE1 HIS 5 HE1 HIS 5 9.859 8.336 -10.836 39 H TYR 6 H TYR 6 5.398 9.400 -4.985 40 HA TYR 6 HA TYR 6 3.287 11.431 -5.180 41 HB2 TYR 6 1HB TYR 6 2.019 9.314 -4.874 42 HB3 TYR 6 2HB TYR 6 2.918 9.011 -3.386 43 HD1 TYR 6 HD1 TYR 6 0.893 11.694 -5.049 44 HD2 TYR 6 HD2 TYR 6 2.040 9.814 -1.363 45 HE1 TYR 6 HE1 TYR 6 -0.693 13.145 -3.816 46 HE2 TYR 6 HE2 TYR 6 0.454 11.263 -0.131 47 HH TYR 6 HH TYR 6 -1.843 12.563 -0.920 48 H ARG 7 H ARG 7 3.889 13.069 -3.883 49 HA ARG 7 HA ARG 7 5.089 14.271 -2.276 50 HB2 ARG 7 1HB ARG 7 4.573 11.749 -0.667 51 HB3 ARG 7 2HB ARG 7 5.047 13.307 0.002 52 HG2 ARG 7 1HG ARG 7 2.594 13.073 -1.743 53 HG3 ARG 7 2HG ARG 7 2.510 12.673 -0.030 54 HD2 ARG 7 1HD ARG 7 3.378 15.340 -1.203 55 HD3 ARG 7 2HD ARG 7 1.876 15.008 -0.353 56 HE ARG 7 HE ARG 7 3.910 14.250 1.412 57 HH11 ARG 7 1HH2 ARG 7 2.892 17.073 -0.292 58 HH12 ARG 7 2HH2 ARG 7 3.478 18.169 0.916 59 HH21 ARG 7 1HH1 ARG 7 4.680 15.660 2.983 60 HH22 ARG 7 2HH1 ARG 7 4.490 17.368 2.772 61 H GLY 8 H GLY 8 6.518 12.369 -4.112 62 HA2 GLY 8 1HA GLY 8 8.872 12.182 -4.453 63 HA3 GLY 8 2HA GLY 8 9.131 12.525 -2.742 64 H TYR 9 H TYR 9 6.866 10.423 -2.305 65 HA TYR 9 HA TYR 9 8.728 8.174 -1.991 66 HB2 TYR 9 1HB TYR 9 5.826 8.565 -1.231 67 HB3 TYR 9 2HB TYR 9 6.735 7.089 -0.901 68 HD1 TYR 9 HD1 TYR 9 6.660 10.758 -0.285 69 HD2 TYR 9 HD2 TYR 9 8.274 6.963 0.913 70 HE1 TYR 9 HE1 TYR 9 7.635 11.813 1.735 71 HE2 TYR 9 HE2 TYR 9 9.249 8.017 2.935 72 HH TYR 9 HH TYR 9 9.338 9.868 4.178 73 H GLU 10 H GLU 10 8.603 6.211 -3.061 74 HA GLU 10 HA GLU 10 7.106 6.219 -5.611 75 HB2 GLU 10 1HB GLU 10 9.193 4.372 -4.425 76 HB3 GLU 10 2HB GLU 10 8.405 4.075 -5.978 77 HG2 GLU 10 1HG GLU 10 9.221 6.212 -6.836 78 HG3 GLU 10 2HG GLU 10 9.937 6.592 -5.271 79 H ILE 11 H ILE 11 5.486 4.727 -6.089 80 HA ILE 11 HA ILE 11 4.560 2.986 -3.825 81 HB ILE 11 HB ILE 11 2.903 4.585 -5.795 82 HG12 ILE 11 1HG1 ILE 11 3.047 4.732 -2.773 83 HG13 ILE 11 2HG1 ILE 11 3.991 5.777 -3.833 84 HG21 ILE 11 1HG2 ILE 11 2.195 2.504 -3.716 85 HG22 ILE 11 2HG2 ILE 11 1.741 2.535 -5.421 86 HG23 ILE 11 3HG2 ILE 11 1.025 3.687 -4.295 87 HD11 ILE 11 3HD1 ILE 11 1.780 6.745 -3.018 88 HD12 ILE 11 1HD1 ILE 11 0.982 5.543 -4.032 89 HD13 ILE 11 2HD1 ILE 11 2.022 6.765 -4.765 90 H GLU 12 H GLU 12 4.354 0.892 -4.356 91 HA GLU 12 HA GLU 12 4.397 0.160 -7.252 92 HB2 GLU 12 1HB GLU 12 5.259 -1.637 -4.998 93 HB3 GLU 12 2HB GLU 12 5.643 -1.766 -6.716 94 HG2 GLU 12 1HG GLU 12 6.872 0.408 -6.548 95 HG3 GLU 12 2HG GLU 12 6.603 0.378 -4.804 96 HA PRO 13 HA PRO 13 0.328 -1.452 -6.108 97 HB2 PRO 13 1HB PRO 13 -0.451 -2.400 -8.524 98 HB3 PRO 13 2HB PRO 13 -0.351 -0.660 -8.183 99 HG2 PRO 13 1HG PRO 13 1.597 -2.420 -9.615 100 HG3 PRO 13 2HG PRO 13 1.032 -0.790 -10.036 101 HD2 PRO 13 1HD PRO 13 3.428 -1.267 -8.775 102 HD3 PRO 13 2HD PRO 13 2.505 0.246 -8.579 103 H GLY 14 H GLY 14 -0.760 -3.522 -5.900 104 HA2 GLY 14 1HA GLY 14 0.128 -5.995 -6.866 105 HA3 GLY 14 2HA GLY 14 1.024 -5.714 -5.372 106 H HIS 15 H HIS 15 -0.432 -7.795 -5.001 107 HA HIS 15 HA HIS 15 -2.715 -6.875 -3.350 108 HB2 HIS 15 1HB HIS 15 -4.130 -8.750 -4.318 109 HB3 HIS 15 2HB HIS 15 -3.858 -7.390 -5.405 110 HD1 HIS 15 HD1 HIS 15 -1.771 -7.743 -7.136 111 HD2 HIS 15 HD2 HIS 15 -3.323 -11.184 -5.369 112 HE1 HIS 15 HE1 HIS 15 -0.970 -9.691 -8.540 113 H GLN 16 H GLN 16 -2.518 -7.870 -1.415 114 HA GLN 16 HA GLN 16 -1.569 -10.679 -1.304 115 HB2 GLN 16 1HB GLN 16 0.464 -9.255 -1.042 116 HB3 GLN 16 2HB GLN 16 -0.306 -8.458 0.330 117 HG2 GLN 16 1HG GLN 16 -0.389 -10.519 1.581 118 HG3 GLN 16 2HG GLN 16 0.148 -11.447 0.180 119 HE21 GLN 16 2HE2 GLN 16 1.601 -11.512 2.638 120 HE22 GLN 16 1HE2 GLN 16 3.100 -10.753 2.398 121 H TYR 17 H TYR 17 -2.081 -11.678 0.772 122 HA TYR 17 HA TYR 17 -4.368 -10.317 2.124 123 HB2 TYR 17 1HB TYR 17 -5.134 -12.531 2.742 124 HB3 TYR 17 2HB TYR 17 -4.797 -12.519 1.013 125 HD1 TYR 17 HD1 TYR 17 -3.472 -13.538 4.330 126 HD2 TYR 17 HD2 TYR 17 -3.062 -13.876 0.067 127 HE1 TYR 17 HE1 TYR 17 -1.873 -15.409 4.634 128 HE2 TYR 17 HE2 TYR 17 -1.461 -15.747 0.370 129 HH TYR 17 HH TYR 17 -0.247 -16.907 1.846 130 H ARG 18 H ARG 18 -4.444 -10.183 4.369 131 HA ARG 18 HA ARG 18 -1.810 -10.407 5.710 132 HB2 ARG 18 1HB ARG 18 -4.434 -9.139 6.541 133 HB3 ARG 18 2HB ARG 18 -2.989 -9.160 7.553 134 HG2 ARG 18 1HG ARG 18 -1.734 -7.993 5.758 135 HG3 ARG 18 2HG ARG 18 -3.200 -7.947 4.779 136 HD2 ARG 18 1HD ARG 18 -2.974 -6.716 7.541 137 HD3 ARG 18 2HD ARG 18 -2.765 -5.816 6.039 138 HE ARG 18 HE ARG 18 -5.250 -7.174 5.886 139 HH11 ARG 18 1HH2 ARG 18 -3.657 -4.706 7.700 140 HH12 ARG 18 2HH2 ARG 18 -5.114 -3.829 8.030 141 HH21 ARG 18 1HH1 ARG 18 -7.152 -6.040 6.309 142 HH22 ARG 18 2HH1 ARG 18 -7.090 -4.584 7.245 143 H ASP 19 H ASP 19 -1.408 -11.801 7.403 144 HA ASP 19 HA ASP 19 -3.004 -14.184 7.671 145 HB2 ASP 19 1HB ASP 19 -0.630 -13.013 9.105 146 HB3 ASP 19 2HB ASP 19 -1.429 -14.431 9.779 147 H ASP 20 H ASP 20 -2.910 -11.137 9.405 148 HA ASP 20 HA ASP 20 -4.179 -11.922 11.820 149 HB2 ASP 20 1HB ASP 20 -3.145 -9.715 11.487 150 HB3 ASP 20 2HB ASP 20 -4.397 -9.299 10.318 151 H ILE 21 H ILE 21 -5.650 -10.675 8.806 152 HA ILE 21 HA ILE 21 -8.320 -11.595 9.804 153 HB ILE 21 HB ILE 21 -9.182 -10.126 7.929 154 HG12 ILE 21 1HG1 ILE 21 -6.332 -9.092 7.913 155 HG13 ILE 21 2HG1 ILE 21 -6.984 -10.156 6.666 156 HG21 ILE 21 1HG2 ILE 21 -9.109 -9.365 10.272 157 HG22 ILE 21 2HG2 ILE 21 -8.751 -8.031 9.174 158 HG23 ILE 21 3HG2 ILE 21 -7.443 -8.829 10.050 159 HD11 ILE 21 3HD1 ILE 21 -7.225 -7.897 5.860 160 HD12 ILE 21 1HD1 ILE 21 -7.936 -7.371 7.386 161 HD13 ILE 21 2HD1 ILE 21 -8.833 -8.454 6.323 162 H ARG 22 H ARG 22 -5.823 -12.699 7.958 163 HA ARG 22 HA ARG 22 -5.650 -14.177 6.128 164 HB2 ARG 22 1HB ARG 22 -8.088 -15.181 7.617 165 HB3 ARG 22 2HB ARG 22 -7.332 -16.071 6.294 166 HG2 ARG 22 1HG ARG 22 -5.193 -16.088 7.516 167 HG3 ARG 22 2HG ARG 22 -5.941 -15.196 8.842 168 HD2 ARG 22 1HD ARG 22 -7.545 -17.047 9.175 169 HD3 ARG 22 2HD ARG 22 -6.781 -17.943 7.866 170 HE ARG 22 HE ARG 22 -5.675 -17.528 10.569 171 HH11 ARG 22 1HH2 ARG 22 -5.182 -18.468 7.280 172 HH12 ARG 22 2HH2 ARG 22 -3.779 -19.419 7.628 173 HH21 ARG 22 1HH1 ARG 22 -3.851 -18.766 11.030 174 HH22 ARG 22 2HH1 ARG 22 -3.024 -19.588 9.749 175 H LYS 23 H LYS 23 -6.826 -11.785 5.305 176 HA LYS 23 HA LYS 23 -8.699 -12.774 3.210 177 HB2 LYS 23 1HB LYS 23 -9.112 -10.443 5.082 178 HB3 LYS 23 2HB LYS 23 -9.904 -10.503 3.509 179 HG2 LYS 23 1HG LYS 23 -10.087 -12.880 5.355 180 HG3 LYS 23 2HG LYS 23 -11.131 -11.488 5.622 181 HD2 LYS 23 1HD LYS 23 -11.951 -11.656 3.290 182 HD3 LYS 23 2HD LYS 23 -10.937 -13.072 3.035 183 HE2 LYS 23 1HE LYS 23 -12.997 -12.922 5.236 184 HE3 LYS 23 2HE LYS 23 -13.352 -13.566 3.633 185 HZ1 LYS 23 3HZ LYS 23 -12.279 -14.956 5.718 186 HZ2 LYS 23 1HZ LYS 23 -10.937 -14.631 4.733 187 HZ3 LYS 23 2HZ LYS 23 -12.285 -15.444 4.091 188 H TYR 24 H TYR 24 -8.832 -11.322 1.355 189 HA TYR 24 HA TYR 24 -6.171 -10.297 0.694 190 HB2 TYR 24 1HB TYR 24 -8.745 -10.524 -0.878 191 HB3 TYR 24 2HB TYR 24 -7.231 -9.913 -1.550 192 HD1 TYR 24 HD2 TYR 24 -8.943 -12.881 -0.157 193 HD2 TYR 24 HD1 TYR 24 -5.360 -11.380 -1.987 194 HE1 TYR 24 HE2 TYR 24 -8.168 -15.205 -0.544 195 HE2 TYR 24 HE1 TYR 24 -4.583 -13.703 -2.373 196 HH TYR 24 HH TYR 24 -5.786 -16.023 -2.643 197 H VAL 25 H VAL 25 -5.592 -8.185 0.630 198 HA VAL 25 HA VAL 25 -7.670 -6.097 0.504 199 HB VAL 25 HB VAL 25 -6.318 -4.956 2.497 200 HG11 VAL 25 1HG1 VAL 25 -8.729 -5.570 2.529 201 HG12 VAL 25 2HG1 VAL 25 -7.946 -5.868 4.082 202 HG13 VAL 25 3HG1 VAL 25 -8.284 -7.213 2.992 203 HG21 VAL 25 3HG2 VAL 25 -4.690 -6.906 2.523 204 HG22 VAL 25 1HG2 VAL 25 -6.004 -7.887 3.173 205 HG23 VAL 25 2HG2 VAL 25 -5.407 -6.499 4.080 206 HA PRO 26 HA PRO 26 -4.883 -3.899 -2.107 207 HB2 PRO 26 1HB PRO 26 -4.872 -1.665 -0.112 208 HB3 PRO 26 2HB PRO 26 -5.204 -1.621 -1.854 209 HG2 PRO 26 1HG PRO 26 -7.152 -1.506 0.040 210 HG3 PRO 26 2HG PRO 26 -7.401 -2.156 -1.584 211 HD2 PRO 26 1HD PRO 26 -7.346 -3.600 0.966 212 HD3 PRO 26 2HD PRO 26 -7.917 -4.144 -0.621 213 H TYR 27 H TYR 27 -2.774 -4.478 -2.223 214 HA TYR 27 HA TYR 27 -1.008 -4.014 0.161 215 HB2 TYR 27 1HB TYR 27 -1.481 -6.410 -0.129 216 HB3 TYR 27 2HB TYR 27 -0.936 -6.321 -1.804 217 HD1 TYR 27 HD1 TYR 27 0.099 -6.218 1.728 218 HD2 TYR 27 HD2 TYR 27 1.425 -6.048 -2.353 219 HE1 TYR 27 HE1 TYR 27 2.437 -6.557 2.475 220 HE2 TYR 27 HE2 TYR 27 3.764 -6.387 -1.607 221 HH TYR 27 HH TYR 27 4.977 -7.287 0.287 222 H ALA 28 H ALA 28 0.705 -2.733 -0.284 223 HA ALA 28 HA ALA 28 1.916 -2.787 -2.979 224 HB1 ALA 28 3HB ALA 28 1.819 -0.111 -2.810 225 HB2 ALA 28 1HB ALA 28 0.350 -0.467 -1.902 226 HB3 ALA 28 2HB ALA 28 0.516 -1.026 -3.562 227 H LEU 29 H LEU 29 4.001 -1.707 -3.007 228 HA LEU 29 HA LEU 29 5.255 -1.599 -0.288 229 HB2 LEU 29 1HB LEU 29 6.526 -1.966 -3.017 230 HB3 LEU 29 2HB LEU 29 7.357 -2.057 -1.464 231 HG LEU 29 HG LEU 29 5.104 -3.881 -2.358 232 HD11 LEU 29 1HD1 LEU 29 6.781 -5.580 -2.637 233 HD12 LEU 29 2HD1 LEU 29 8.029 -4.545 -1.943 234 HD13 LEU 29 3HD1 LEU 29 7.340 -4.159 -3.521 235 HD21 LEU 29 3HD2 LEU 29 6.057 -5.188 -0.285 236 HD22 LEU 29 1HD2 LEU 29 4.952 -3.845 -0.013 237 HD23 LEU 29 2HD2 LEU 29 6.689 -3.616 0.197 238 H ILE 30 H ILE 30 6.176 0.269 0.392 239 HA ILE 30 HA ILE 30 6.243 2.572 -1.529 240 HB ILE 30 HB ILE 30 5.731 2.547 1.454 241 HG12 ILE 30 1HG1 ILE 30 3.965 3.466 -0.828 242 HG13 ILE 30 2HG1 ILE 30 3.876 1.846 -0.139 243 HG21 ILE 30 1HG2 ILE 30 6.979 4.527 0.993 244 HG22 ILE 30 2HG2 ILE 30 5.289 5.032 0.979 245 HG23 ILE 30 3HG2 ILE 30 6.149 4.783 -0.542 246 HD11 ILE 30 3HD1 ILE 30 3.456 2.856 2.099 247 HD12 ILE 30 1HD1 ILE 30 2.205 3.271 0.928 248 HD13 ILE 30 2HD1 ILE 30 3.445 4.451 1.348 249 H ARG 31 H ARG 31 8.172 3.549 -1.809 250 HA ARG 31 HA ARG 31 10.349 3.049 0.188 251 HB2 ARG 31 1HB ARG 31 10.651 1.575 -1.794 252 HB3 ARG 31 2HB ARG 31 10.660 3.003 -2.830 253 HG2 ARG 31 1HG ARG 31 12.633 3.871 -1.675 254 HG3 ARG 31 2HG ARG 31 12.599 2.513 -0.548 255 HD2 ARG 31 1HD ARG 31 12.918 2.230 -3.551 256 HD3 ARG 31 2HD ARG 31 14.257 2.213 -2.401 257 HE ARG 31 HE ARG 31 12.419 0.278 -1.505 258 HH11 ARG 31 1HH2 ARG 31 14.386 0.950 -4.259 259 HH12 ARG 31 2HH2 ARG 31 14.590 -0.718 -4.679 260 HH21 ARG 31 1HH1 ARG 31 12.676 -1.892 -2.041 261 HH22 ARG 31 2HH1 ARG 31 13.624 -2.327 -3.424 262 H LYS 32 H LYS 32 11.572 4.829 0.647 263 HA LYS 32 HA LYS 32 10.612 7.407 -0.367 264 HB2 LYS 32 1HB LYS 32 11.182 7.058 2.026 265 HB3 LYS 32 2HB LYS 32 12.864 6.794 1.564 266 HG2 LYS 32 1HG LYS 32 13.005 9.040 0.628 267 HG3 LYS 32 2HG LYS 32 11.294 9.315 0.957 268 HD2 LYS 32 1HD LYS 32 11.722 9.029 3.380 269 HD3 LYS 32 2HD LYS 32 13.438 8.797 3.038 270 HE2 LYS 32 1HE LYS 32 11.839 11.281 2.351 271 HE3 LYS 32 2HE LYS 32 12.962 11.135 3.703 272 HZ1 LYS 32 3HZ LYS 32 14.184 10.288 1.290 273 HZ2 LYS 32 1HZ LYS 32 14.662 11.517 2.356 274 HZ3 LYS 32 2HZ LYS 32 13.560 11.858 1.109 275 H VAL 33 H VAL 33 11.656 8.699 -1.820 276 HA VAL 33 HA VAL 33 13.878 7.547 -3.335 277 HB VAL 33 HB VAL 33 12.475 10.219 -3.570 278 HG11 VAL 33 1HG1 VAL 33 14.581 10.448 -4.646 279 HG12 VAL 33 2HG1 VAL 33 13.457 10.037 -5.941 280 HG13 VAL 33 3HG1 VAL 33 14.527 8.802 -5.279 281 HG21 VAL 33 3HG2 VAL 33 11.146 9.200 -5.269 282 HG22 VAL 33 1HG2 VAL 33 11.126 8.073 -3.914 283 HG23 VAL 33 2HG2 VAL 33 12.166 7.762 -5.306 284 H GLY 34 H GLY 34 15.997 8.049 -3.101 285 HA2 GLY 34 1HA GLY 34 17.540 10.087 -2.706 286 HA3 GLY 34 2HA GLY 34 16.721 10.205 -1.149 287 H VAL 35 H VAL 35 16.688 7.982 0.066 288 HA VAL 35 HA VAL 35 19.498 7.042 0.069 289 HB VAL 35 HB VAL 35 18.881 6.038 2.277 290 HG11 VAL 35 1HG1 VAL 35 19.948 8.227 2.129 291 HG12 VAL 35 2HG1 VAL 35 18.736 8.250 3.410 292 HG13 VAL 35 3HG1 VAL 35 18.385 8.996 1.850 293 HG21 VAL 35 3HG2 VAL 35 16.460 5.797 1.871 294 HG22 VAL 35 1HG2 VAL 35 16.299 7.550 1.766 295 HG23 VAL 35 2HG2 VAL 35 16.756 6.798 3.292 296 HA PRO 36 HA PRO 36 18.763 3.029 -1.738 297 HB2 PRO 36 1HB PRO 36 20.000 1.939 0.780 298 HB3 PRO 36 2HB PRO 36 20.356 1.540 -0.915 299 HG2 PRO 36 1HG PRO 36 21.962 3.130 0.465 300 HG3 PRO 36 2HG PRO 36 21.602 3.458 -1.241 301 HD2 PRO 36 1HD PRO 36 20.612 4.883 1.196 302 HD3 PRO 36 2HD PRO 36 20.920 5.498 -0.443 303 H ASP 37 H ASP 37 18.187 0.626 -0.623 304 HA ASP 37 HA ASP 37 15.440 1.009 0.308 305 HB2 ASP 37 1HB ASP 37 16.190 -0.763 -1.341 306 HB3 ASP 37 2HB ASP 37 16.962 -1.588 0.013 307 H ARG 38 H ARG 38 15.242 1.576 2.437 308 HA ARG 38 HA ARG 38 16.895 0.130 4.476 309 HB2 ARG 38 1HB ARG 38 15.316 2.711 4.685 310 HB3 ARG 38 2HB ARG 38 16.292 2.004 5.971 311 HG2 ARG 38 1HG ARG 38 17.509 2.617 3.274 312 HG3 ARG 38 2HG ARG 38 17.354 3.876 4.495 313 HD2 ARG 38 1HD ARG 38 18.604 2.435 6.099 314 HD3 ARG 38 2HD ARG 38 18.831 1.246 4.822 315 HE ARG 38 HE ARG 38 20.474 2.636 3.865 316 HH11 ARG 38 1HH2 ARG 38 18.575 4.292 6.221 317 HH12 ARG 38 2HH2 ARG 38 19.587 5.697 6.236 318 HH21 ARG 38 1HH1 ARG 38 21.801 4.446 3.879 319 HH22 ARG 38 2HH1 ARG 38 21.417 5.784 4.910 320 H THR 39 H THR 39 15.516 -1.723 4.316 321 HA THR 39 HA THR 39 13.698 -3.045 4.878 322 HB THR 39 HB THR 39 13.340 -1.112 7.156 323 HG1 THR 39 HG1 THR 39 15.554 -2.143 6.481 324 HG21 THR 39 3HG2 THR 39 11.713 -3.029 6.751 325 HG22 THR 39 1HG2 THR 39 12.516 -3.044 8.322 326 HG23 THR 39 2HG2 THR 39 13.066 -4.122 7.039 327 HA PRO 40 HA PRO 40 10.465 -0.355 3.056 328 HB2 PRO 40 1HB PRO 40 9.195 -2.242 1.573 329 HB3 PRO 40 2HB PRO 40 10.739 -1.526 1.070 330 HG2 PRO 40 1HG PRO 40 10.212 -4.163 2.369 331 HG3 PRO 40 2HG PRO 40 11.340 -3.756 1.060 332 HD2 PRO 40 1HD PRO 40 12.093 -4.046 3.698 333 HD3 PRO 40 2HD PRO 40 12.990 -3.053 2.525 334 H ILE 41 H ILE 41 8.312 0.017 3.639 335 HA ILE 41 HA ILE 41 7.106 -1.909 5.601 336 HB ILE 41 HB ILE 41 6.568 1.055 5.372 337 HG12 ILE 41 1HG1 ILE 41 8.909 0.763 5.953 338 HG13 ILE 41 2HG1 ILE 41 8.024 1.239 7.401 339 HG21 ILE 41 1HG2 ILE 41 5.595 0.742 7.603 340 HG22 ILE 41 2HG2 ILE 41 6.036 -0.965 7.569 341 HG23 ILE 41 3HG2 ILE 41 4.825 -0.346 6.448 342 HD11 ILE 41 3HD1 ILE 41 7.828 -1.322 7.858 343 HD12 ILE 41 1HD1 ILE 41 9.378 -0.540 8.153 344 HD13 ILE 41 2HD1 ILE 41 9.128 -1.474 6.684 345 HA PRO 42 HA PRO 42 4.407 -2.148 1.846 346 HB2 PRO 42 1HB PRO 42 3.253 -4.297 3.594 347 HB3 PRO 42 2HB PRO 42 3.657 -4.341 1.868 348 HG2 PRO 42 1HG PRO 42 5.207 -5.537 3.674 349 HG3 PRO 42 2HG PRO 42 5.904 -4.710 2.265 350 HD2 PRO 42 1HD PRO 42 5.823 -3.811 5.122 351 HD3 PRO 42 2HD PRO 42 7.064 -3.530 3.882 352 H THR 43 H THR 43 2.392 -1.212 1.555 353 HA THR 43 HA THR 43 1.049 -0.172 4.002 354 HB THR 43 HB THR 43 1.530 1.563 2.450 355 HG1 THR 43 HG1 THR 43 -1.138 0.703 2.027 356 HG21 THR 43 3HG2 THR 43 0.582 1.313 0.049 357 HG22 THR 43 1HG2 THR 43 0.552 -0.411 0.401 358 HG23 THR 43 2HG2 THR 43 2.076 0.467 0.445 359 H THR 44 H THR 44 -0.969 -0.794 4.563 360 HA THR 44 HA THR 44 -2.525 -2.535 2.692 361 HB THR 44 HB THR 44 -3.124 -3.976 4.577 362 HG1 THR 44 HG1 THR 44 -1.237 -3.064 6.294 363 HG21 THR 44 3HG2 THR 44 -0.153 -3.515 4.239 364 HG22 THR 44 1HG2 THR 44 -1.165 -4.624 3.316 365 HG23 THR 44 2HG2 THR 44 -0.848 -4.934 5.022 366 H TYR 45 H TYR 45 -4.840 -2.576 3.247 367 HA TYR 45 HA TYR 45 -5.721 -0.343 4.976 368 HB2 TYR 45 1HB TYR 45 -5.520 0.187 2.372 369 HB3 TYR 45 2HB TYR 45 -7.069 -0.651 2.306 370 HD1 TYR 45 HD2 TYR 45 -5.319 1.901 4.427 371 HD2 TYR 45 HD1 TYR 45 -8.996 0.665 2.580 372 HE1 TYR 45 HE2 TYR 45 -6.429 3.945 5.274 373 HE2 TYR 45 HE1 TYR 45 -10.108 2.715 3.431 374 HH TYR 45 HH TYR 45 -8.608 5.352 4.387 375 HA PRO 46 HA PRO 46 -8.665 -3.404 6.484 376 HB2 PRO 46 1HB PRO 46 -10.613 -1.113 6.313 377 HB3 PRO 46 2HB PRO 46 -10.296 -2.223 7.661 378 HG2 PRO 46 1HG PRO 46 -9.367 0.293 7.612 379 HG3 PRO 46 2HG PRO 46 -8.464 -1.033 8.365 380 HD2 PRO 46 1HD PRO 46 -7.885 0.420 5.839 381 HD3 PRO 46 2HD PRO 46 -6.794 -0.502 6.901 382 H GLU 47 H GLU 47 -11.562 -2.492 5.699 383 HA GLU 47 HA GLU 47 -13.128 -3.352 4.182 384 HB2 GLU 47 1HB GLU 47 -11.087 -2.083 2.333 385 HB3 GLU 47 2HB GLU 47 -12.697 -2.587 1.836 386 HG2 GLU 47 1HG GLU 47 -13.060 -0.334 2.324 387 HG3 GLU 47 2HG GLU 47 -13.504 -1.089 3.849 388 H PHE 48 H PHE 48 -13.015 -4.467 1.714 389 HA PHE 48 HA PHE 48 -10.984 -6.637 1.795 390 HB2 PHE 48 1HB PHE 48 -13.965 -7.174 1.671 391 HB3 PHE 48 2HB PHE 48 -12.676 -8.375 1.672 392 HD1 PHE 48 HD1 PHE 48 -11.170 -8.558 3.699 393 HD2 PHE 48 HD2 PHE 48 -14.787 -6.249 3.701 394 HE1 PHE 48 HE1 PHE 48 -11.173 -8.572 6.178 395 HE2 PHE 48 HE2 PHE 48 -14.792 -6.259 6.181 396 HZ PHE 48 HZ PHE 48 -12.985 -7.421 7.420 397 H TYR 49 H TYR 49 -10.667 -7.624 -0.238 398 HA TYR 49 HA TYR 49 -12.350 -6.726 -2.506 399 HB2 TYR 49 1HB TYR 49 -9.390 -6.145 -2.221 400 HB3 TYR 49 2HB TYR 49 -10.210 -6.151 -3.783 401 HD1 TYR 49 HD2 TYR 49 -10.178 -4.558 -0.416 402 HD2 TYR 49 HD1 TYR 49 -11.607 -4.344 -4.457 403 HE1 TYR 49 HE2 TYR 49 -10.999 -2.256 -0.003 404 HE2 TYR 49 HE1 TYR 49 -12.433 -2.042 -4.043 405 HH TYR 49 HH TYR 49 -11.534 -0.106 -2.024 406 H ASP 50 H ASP 50 -12.935 -8.739 -3.178 407 HA ASP 50 HA ASP 50 -11.178 -11.043 -3.037 408 HB2 ASP 50 1HB ASP 50 -13.806 -10.523 -4.450 409 HB3 ASP 50 2HB ASP 50 -12.987 -12.083 -4.495 410 H LEU 51 H LEU 51 -11.612 -8.438 -5.227 411 HA LEU 51 HA LEU 51 -10.386 -9.922 -7.492 412 HB2 LEU 51 1HB LEU 51 -11.401 -7.066 -7.349 413 HB3 LEU 51 2HB LEU 51 -10.919 -7.932 -8.808 414 HG LEU 51 HG LEU 51 -13.200 -8.719 -6.969 415 HD11 LEU 51 1HD1 LEU 51 -13.871 -6.781 -8.187 416 HD12 LEU 51 2HD1 LEU 51 -14.550 -8.151 -9.066 417 HD13 LEU 51 3HD1 LEU 51 -13.096 -7.352 -9.665 418 HD21 LEU 51 3HD2 LEU 51 -11.983 -9.974 -9.431 419 HD22 LEU 51 1HD2 LEU 51 -13.691 -10.215 -9.067 420 HD23 LEU 51 2HD2 LEU 51 -12.470 -10.747 -7.921 421 H GLU 52 H GLU 52 -8.292 -9.812 -7.883 422 HA GLU 52 HA GLU 52 -6.472 -8.328 -6.218 423 HB2 GLU 52 1HB GLU 52 -4.752 -9.280 -7.655 424 HB3 GLU 52 2HB GLU 52 -5.975 -10.512 -7.344 425 HG2 GLU 52 1HG GLU 52 -7.080 -9.847 -9.521 426 HG3 GLU 52 2HG GLU 52 -5.681 -8.824 -9.846 427 H ALA 53 H ALA 53 -7.747 -7.857 -9.485 428 HA ALA 53 HA ALA 53 -6.064 -5.732 -10.311 429 HB1 ALA 53 3HB ALA 53 -8.941 -6.410 -10.946 430 HB2 ALA 53 1HB ALA 53 -7.510 -6.754 -11.921 431 HB3 ALA 53 2HB ALA 53 -8.079 -5.094 -11.742 432 H ASP 54 H ASP 54 -9.186 -5.636 -8.606 433 HA ASP 54 HA ASP 54 -9.326 -2.782 -8.385 434 HB2 ASP 54 1HB ASP 54 -11.227 -4.393 -8.037 435 HB3 ASP 54 2HB ASP 54 -10.493 -4.840 -6.496 436 H ALA 55 H ALA 55 -7.869 -5.284 -6.359 437 HA ALA 55 HA ALA 55 -7.276 -3.649 -4.089 438 HB1 ALA 55 3HB ALA 55 -6.064 -6.164 -5.231 439 HB2 ALA 55 1HB ALA 55 -7.064 -5.990 -3.789 440 HB3 ALA 55 2HB ALA 55 -5.400 -5.410 -3.786 441 H GLU 56 H GLU 56 -5.503 -4.286 -7.096 442 HA GLU 56 HA GLU 56 -3.086 -2.929 -6.380 443 HB2 GLU 56 1HB GLU 56 -4.413 -3.412 -9.061 444 HB3 GLU 56 2HB GLU 56 -2.793 -2.738 -8.884 445 HG2 GLU 56 1HG GLU 56 -2.046 -4.749 -7.713 446 HG3 GLU 56 2HG GLU 56 -3.678 -5.414 -7.768 447 H ARG 57 H ARG 57 -5.981 -1.792 -8.139 448 HA ARG 57 HA ARG 57 -5.071 0.896 -8.502 449 HB2 ARG 57 1HB ARG 57 -7.194 -0.484 -9.411 450 HB3 ARG 57 2HB ARG 57 -7.999 0.350 -8.086 451 HG2 ARG 57 1HG ARG 57 -6.416 1.674 -10.311 452 HG3 ARG 57 2HG ARG 57 -8.173 1.649 -10.166 453 HD2 ARG 57 1HD ARG 57 -7.821 2.731 -7.851 454 HD3 ARG 57 2HD ARG 57 -6.172 3.053 -8.395 455 HE ARG 57 HE ARG 57 -8.228 3.944 -10.276 456 HH11 ARG 57 1HH2 ARG 57 -6.266 4.672 -7.530 457 HH12 ARG 57 2HH2 ARG 57 -6.393 6.387 -7.735 458 HH21 ARG 57 1HH1 ARG 57 -8.407 6.170 -10.546 459 HH22 ARG 57 2HH1 ARG 57 -7.605 7.235 -9.440 460 H VAL 58 H VAL 58 -7.078 -0.593 -5.985 461 HA VAL 58 HA VAL 58 -7.504 1.775 -4.447 462 HB VAL 58 HB VAL 58 -7.462 -1.145 -3.657 463 HG11 VAL 58 1HG1 VAL 58 -8.844 -0.314 -1.700 464 HG12 VAL 58 2HG1 VAL 58 -8.360 1.321 -2.141 465 HG13 VAL 58 3HG1 VAL 58 -7.144 0.148 -1.641 466 HG21 VAL 58 3HG2 VAL 58 -9.163 -0.238 -5.376 467 HG22 VAL 58 1HG2 VAL 58 -9.860 0.656 -4.024 468 HG23 VAL 58 2HG2 VAL 58 -9.808 -1.105 -3.984 469 H SER 59 H SER 59 -5.002 -0.751 -4.269 470 HA SER 59 HA SER 59 -3.684 0.125 -1.932 471 HB2 SER 59 1HB SER 59 -2.426 -1.017 -4.442 472 HB3 SER 59 2HB SER 59 -1.701 -0.994 -2.840 473 HG SER 59 HG SER 59 -3.523 -2.695 -3.903 474 H ILE 60 H ILE 60 -3.350 1.285 -5.286 475 HA ILE 60 HA ILE 60 -1.169 3.076 -4.775 476 HB ILE 60 HB ILE 60 -3.400 3.166 -6.828 477 HG12 ILE 60 1HG1 ILE 60 -0.487 2.395 -7.161 478 HG13 ILE 60 2HG1 ILE 60 -1.765 1.221 -6.841 479 HG21 ILE 60 1HG2 ILE 60 -2.628 5.385 -6.793 480 HG22 ILE 60 2HG2 ILE 60 -1.633 4.651 -8.043 481 HG23 ILE 60 3HG2 ILE 60 -0.971 4.911 -6.430 482 HD11 ILE 60 3HD1 ILE 60 -1.288 1.447 -9.276 483 HD12 ILE 60 1HD1 ILE 60 -1.738 3.150 -9.184 484 HD13 ILE 60 2HD1 ILE 60 -2.944 1.901 -8.876 485 H ALA 61 H ALA 61 -4.702 3.546 -4.736 486 HA ALA 61 HA ALA 61 -4.597 6.336 -4.006 487 HB1 ALA 61 3HB ALA 61 -6.609 5.451 -4.997 488 HB2 ALA 61 1HB ALA 61 -7.007 5.919 -3.344 489 HB3 ALA 61 2HB ALA 61 -6.750 4.220 -3.741 490 H CYS 62 H CYS 62 -4.929 3.338 -2.134 491 HA CYS 62 HA CYS 62 -5.237 4.617 0.420 492 HB2 CYS 62 1HB CYS 62 -4.230 1.867 -0.350 493 HB3 CYS 62 2HB CYS 62 -4.525 2.372 1.313 494 HG CYS 62 HG CYS 62 -7.073 2.738 0.639 495 H ALA 63 H ALA 63 -2.437 3.504 -1.430 496 HA ALA 63 HA ALA 63 -0.429 3.806 0.533 497 HB1 ALA 63 3HB ALA 63 -0.320 4.367 -2.446 498 HB2 ALA 63 1HB ALA 63 0.036 2.829 -1.658 499 HB3 ALA 63 2HB ALA 63 1.096 4.216 -1.404 500 H LYS 64 H LYS 64 -1.824 6.225 -1.686 501 HA LYS 64 HA LYS 64 -0.153 8.399 -0.870 502 HB2 LYS 64 1HB LYS 64 -2.976 8.351 -1.959 503 HB3 LYS 64 2HB LYS 64 -2.035 9.827 -1.742 504 HG2 LYS 64 1HG LYS 64 -0.247 8.812 -3.195 505 HG3 LYS 64 2HG LYS 64 -1.336 7.468 -3.514 506 HD2 LYS 64 1HD LYS 64 -2.221 10.313 -4.011 507 HD3 LYS 64 2HD LYS 64 -1.277 9.443 -5.213 508 HE2 LYS 64 1HE LYS 64 -3.936 8.562 -4.062 509 HE3 LYS 64 2HE LYS 64 -3.661 9.195 -5.682 510 HZ1 LYS 64 3HZ LYS 64 -3.676 6.862 -5.867 511 HZ2 LYS 64 1HZ LYS 64 -2.647 6.662 -4.534 512 HZ3 LYS 64 2HZ LYS 64 -2.046 7.326 -5.977 513 H ILE 65 H ILE 65 -3.299 7.248 0.342 514 HA ILE 65 HA ILE 65 -3.680 9.342 2.264 515 HB ILE 65 HB ILE 65 -4.661 6.475 2.199 516 HG12 ILE 65 1HG1 ILE 65 -6.117 9.074 1.627 517 HG13 ILE 65 2HG1 ILE 65 -5.376 8.079 0.374 518 HG21 ILE 65 1HG2 ILE 65 -5.310 8.768 4.063 519 HG22 ILE 65 2HG2 ILE 65 -4.803 7.133 4.487 520 HG23 ILE 65 3HG2 ILE 65 -6.411 7.412 3.823 521 HD11 ILE 65 3HD1 ILE 65 -6.777 6.138 1.286 522 HD12 ILE 65 1HD1 ILE 65 -7.664 7.410 0.447 523 HD13 ILE 65 2HD1 ILE 65 -7.666 7.350 2.209 524 H ILE 66 H ILE 66 -2.149 6.139 2.508 525 HA ILE 66 HA ILE 66 -1.551 6.267 5.304 526 HB ILE 66 HB ILE 66 -0.191 4.808 3.025 527 HG12 ILE 66 1HG1 ILE 66 -2.525 4.148 3.424 528 HG13 ILE 66 2HG1 ILE 66 -1.426 2.858 3.887 529 HG21 ILE 66 1HG2 ILE 66 0.671 3.331 4.928 530 HG22 ILE 66 2HG2 ILE 66 0.250 4.659 6.009 531 HG23 ILE 66 3HG2 ILE 66 1.448 4.903 4.736 532 HD11 ILE 66 3HD1 ILE 66 -2.780 2.859 5.750 533 HD12 ILE 66 1HD1 ILE 66 -3.180 4.566 5.594 534 HD13 ILE 66 2HD1 ILE 66 -1.636 4.081 6.282 535 H ILE 67 H ILE 67 0.341 7.224 2.437 536 HA ILE 67 HA ILE 67 2.698 7.991 3.863 537 HB ILE 67 HB ILE 67 1.524 8.944 1.236 538 HG12 ILE 67 1HG1 ILE 67 3.903 7.141 1.735 539 HG13 ILE 67 2HG1 ILE 67 2.268 6.513 1.541 540 HG21 ILE 67 1HG2 ILE 67 2.984 10.694 1.896 541 HG22 ILE 67 2HG2 ILE 67 3.955 9.677 0.831 542 HG23 ILE 67 3HG2 ILE 67 4.157 9.568 2.580 543 HD11 ILE 67 3HD1 ILE 67 3.613 8.321 -0.485 544 HD12 ILE 67 1HD1 ILE 67 2.100 7.437 -0.683 545 HD13 ILE 67 2HD1 ILE 67 3.627 6.561 -0.591 546 H ASP 68 H ASP 68 -0.153 9.876 2.844 547 HA ASP 68 HA ASP 68 0.750 12.385 3.879 548 HB2 ASP 68 1HB ASP 68 -2.003 11.264 3.323 549 HB3 ASP 68 2HB ASP 68 -1.751 12.915 3.891 550 H SER 69 H SER 69 -1.179 9.776 5.323 551 HA SER 69 HA SER 69 -1.697 11.127 7.802 552 HB2 SER 69 1HB SER 69 -2.804 8.990 6.848 553 HB3 SER 69 2HB SER 69 -1.427 8.132 7.533 554 HG SER 69 HG SER 69 -3.594 9.274 8.760 555 H HIS 70 H HIS 70 0.944 9.036 6.699 556 HA HIS 70 HA HIS 70 2.254 8.625 9.172 557 HB2 HIS 70 1HB HIS 70 2.917 7.522 7.056 558 HB3 HIS 70 2HB HIS 70 3.510 9.067 6.448 559 HD1 HIS 70 HD1 HIS 70 4.037 7.020 9.637 560 HD2 HIS 70 HD2 HIS 70 6.216 9.286 6.898 561 HE1 HIS 70 HE1 HIS 70 6.449 6.940 10.398 562 H LEU 71 H LEU 71 2.574 11.309 6.855 563 HA LEU 71 HA LEU 71 4.538 12.762 8.368 564 HB2 LEU 71 1HB LEU 71 2.446 13.869 6.476 565 HB3 LEU 71 2HB LEU 71 3.964 14.641 6.933 566 HG LEU 71 HG LEU 71 3.731 11.992 5.474 567 HD11 LEU 71 1HD1 LEU 71 4.767 13.388 3.593 568 HD12 LEU 71 2HD1 LEU 71 4.306 14.808 4.532 569 HD13 LEU 71 3HD1 LEU 71 3.067 13.698 3.944 570 HD21 LEU 71 3HD2 LEU 71 5.785 11.900 6.613 571 HD22 LEU 71 1HD2 LEU 71 6.044 13.641 6.490 572 HD23 LEU 71 2HD2 LEU 71 6.251 12.613 5.072 573 H ASP 72 H ASP 72 0.998 12.779 8.374 574 HA ASP 72 HA ASP 72 0.894 14.928 10.383 575 HB2 ASP 72 1HB ASP 72 -0.836 14.758 8.633 576 HB3 ASP 72 2HB ASP 72 -1.282 13.160 9.229 577 H ARG 73 H ARG 73 -0.731 11.752 10.393 578 HA ARG 73 HA ARG 73 0.194 11.345 13.222 579 HB2 ARG 73 1HB ARG 73 -2.035 10.325 13.661 580 HB3 ARG 73 2HB ARG 73 -2.161 12.019 13.213 581 HG2 ARG 73 1HG ARG 73 -2.712 11.396 10.899 582 HG3 ARG 73 2HG ARG 73 -2.557 9.689 11.306 583 HD2 ARG 73 1HD ARG 73 -4.383 9.921 12.959 584 HD3 ARG 73 2HD ARG 73 -4.551 11.620 12.524 585 HE ARG 73 HE ARG 73 -4.786 9.853 10.223 586 HH11 ARG 73 1HH2 ARG 73 -6.389 11.269 12.934 587 HH12 ARG 73 2HH2 ARG 73 -7.963 11.171 12.219 588 HH21 ARG 73 1HH1 ARG 73 -6.834 9.719 9.283 589 HH22 ARG 73 2HH1 ARG 73 -8.216 10.294 10.156 590 H HIS 74 H HIS 74 -1.524 8.825 13.019 591 HA HIS 74 HA HIS 74 -1.389 6.639 12.218 592 HB2 HIS 74 1HB HIS 74 -0.493 7.857 10.030 593 HB3 HIS 74 2HB HIS 74 1.059 7.213 10.565 594 HD1 HIS 74 HD1 HIS 74 -2.492 5.923 10.015 595 HD2 HIS 74 HD2 HIS 74 1.455 4.611 9.769 596 HE1 HIS 74 HE1 HIS 74 -2.580 3.559 9.111 597 H ASP 75 H ASP 75 -0.376 4.899 13.150 598 HA ASP 75 HA ASP 75 1.762 5.520 15.061 599 HB2 ASP 75 1HB ASP 75 0.141 3.037 14.472 600 HB3 ASP 75 2HB ASP 75 1.440 3.067 15.665 601 H GLN 76 H GLN 76 3.798 5.564 14.320 602 HA GLN 76 HA GLN 76 5.644 5.137 12.918 603 HB2 GLN 76 1HB GLN 76 5.857 3.527 14.779 604 HB3 GLN 76 2HB GLN 76 4.951 2.336 13.842 605 HG2 GLN 76 1HG GLN 76 6.651 2.295 12.123 606 HG3 GLN 76 2HG GLN 76 7.504 3.645 12.870 607 HE21 GLN 76 2HE2 GLN 76 8.823 1.165 12.423 608 HE22 GLN 76 1HE2 GLN 76 9.153 0.446 13.924 609 H GLY 77 H GLY 77 4.719 5.675 10.864 610 HA2 GLY 77 1HA GLY 77 3.612 3.452 9.239 611 HA3 GLY 77 2HA GLY 77 3.648 5.152 8.779 612 H LEU 78 H LEU 78 5.657 6.052 8.002 613 HA LEU 78 HA LEU 78 7.544 3.990 6.911 614 HB2 LEU 78 1HB LEU 78 7.051 6.795 5.883 615 HB3 LEU 78 2HB LEU 78 7.937 5.501 5.076 616 HG LEU 78 HG LEU 78 4.976 5.500 5.733 617 HD11 LEU 78 1HD1 LEU 78 5.685 6.955 3.825 618 HD12 LEU 78 2HD1 LEU 78 4.649 5.614 3.330 619 HD13 LEU 78 3HD1 LEU 78 6.389 5.533 3.052 620 HD21 LEU 78 3HD2 LEU 78 5.607 3.234 5.883 621 HD22 LEU 78 1HD2 LEU 78 6.833 3.393 4.625 622 HD23 LEU 78 2HD2 LEU 78 5.123 3.391 4.197 623 H ALA 79 H ALA 79 7.696 5.207 9.588 624 HA ALA 79 HA ALA 79 9.652 7.291 9.685 625 HB1 ALA 79 3HB ALA 79 8.410 6.806 11.673 626 HB2 ALA 79 1HB ALA 79 10.077 6.348 12.016 627 HB3 ALA 79 2HB ALA 79 8.884 5.107 11.630 628 H ASP 80 H ASP 80 9.948 3.760 9.513 629 HA ASP 80 HA ASP 80 12.728 3.555 10.066 630 HB2 ASP 80 1HB ASP 80 12.620 1.409 8.862 631 HB3 ASP 80 2HB ASP 80 11.209 1.604 9.902 632 H LEU 81 H LEU 81 11.048 4.012 6.952 633 HA LEU 81 HA LEU 81 13.417 4.049 5.341 634 HB2 LEU 81 1HB LEU 81 10.660 5.238 4.955 635 HB3 LEU 81 2HB LEU 81 11.902 5.296 3.709 636 HG LEU 81 HG LEU 81 11.046 2.700 5.019 637 HD11 LEU 81 1HD1 LEU 81 9.068 3.761 3.995 638 HD12 LEU 81 2HD1 LEU 81 9.566 2.340 3.079 639 HD13 LEU 81 3HD1 LEU 81 9.950 3.953 2.480 640 HD21 LEU 81 3HD2 LEU 81 11.848 1.882 2.671 641 HD22 LEU 81 1HD2 LEU 81 13.074 2.350 3.843 642 HD23 LEU 81 2HD2 LEU 81 12.624 3.456 2.547 643 H GLY 82 H GLY 82 11.610 6.675 6.945 644 HA2 GLY 82 1HA GLY 82 13.795 8.307 7.501 645 HA3 GLY 82 2HA GLY 82 13.322 8.746 5.860 Start of MODEL 19 1 H1 MET 1 1H MET 1 2.504 -1.714 -12.858 2 H2 MET 1 2H MET 1 1.726 -2.996 -12.059 3 H3 MET 1 3H MET 1 1.907 -3.030 -13.748 4 HA MET 1 HA MET 1 3.593 -4.158 -11.890 5 HB2 MET 1 1HB MET 1 3.211 -4.833 -14.270 6 HB3 MET 1 2HB MET 1 4.152 -3.436 -14.790 7 HG2 MET 1 1HG MET 1 6.112 -4.292 -13.560 8 HG3 MET 1 2HG MET 1 5.172 -5.684 -13.024 9 HE1 MET 1 3HE MET 1 3.786 -7.143 -14.798 10 HE2 MET 1 1HE MET 1 5.270 -7.841 -14.134 11 HE3 MET 1 2HE MET 1 4.893 -8.028 -15.844 12 H ASN 2 H ASN 2 3.922 -1.117 -13.649 13 HA ASN 2 HA ASN 2 6.635 -0.618 -12.652 14 HB2 ASN 2 1HB ASN 2 4.666 1.109 -14.186 15 HB3 ASN 2 2HB ASN 2 6.301 1.616 -13.765 16 HD21 ASN 2 2HD2 ASN 2 7.272 -1.276 -14.167 17 HD22 ASN 2 1HD2 ASN 2 7.376 -1.446 -15.850 18 H VAL 3 H VAL 3 7.205 0.767 -11.037 19 HA VAL 3 HA VAL 3 5.160 1.382 -9.030 20 HB VAL 3 HB VAL 3 7.026 2.059 -7.626 21 HG11 VAL 3 1HG1 VAL 3 8.226 -0.031 -7.548 22 HG12 VAL 3 2HG1 VAL 3 7.871 -0.358 -9.245 23 HG13 VAL 3 3HG1 VAL 3 6.574 -0.388 -8.050 24 HG21 VAL 3 3HG2 VAL 3 8.585 1.932 -10.220 25 HG22 VAL 3 1HG2 VAL 3 9.375 1.881 -8.642 26 HG23 VAL 3 2HG2 VAL 3 8.430 3.295 -9.110 27 H ALA 4 H ALA 4 4.293 3.309 -8.628 28 HA ALA 4 HA ALA 4 4.921 5.551 -10.466 29 HB1 ALA 4 3HB ALA 4 2.829 6.503 -9.717 30 HB2 ALA 4 1HB ALA 4 2.712 5.336 -8.399 31 HB3 ALA 4 2HB ALA 4 2.553 4.799 -10.072 32 H HIS 5 H HIS 5 5.099 7.709 -9.603 33 HA HIS 5 HA HIS 5 6.552 7.765 -6.979 34 HB2 HIS 5 1HB HIS 5 6.696 9.621 -9.377 35 HB3 HIS 5 2HB HIS 5 7.564 9.861 -7.860 36 HD1 HIS 5 HD1 HIS 5 9.337 9.519 -10.238 37 HD2 HIS 5 HD2 HIS 5 7.902 6.241 -8.099 38 HE1 HIS 5 HE1 HIS 5 10.912 7.598 -10.724 39 H TYR 6 H TYR 6 6.053 9.325 -5.488 40 HA TYR 6 HA TYR 6 3.878 11.247 -6.017 41 HB2 TYR 6 1HB TYR 6 2.782 9.075 -5.340 42 HB3 TYR 6 2HB TYR 6 3.605 9.220 -3.786 43 HD1 TYR 6 HD2 TYR 6 1.416 11.166 -6.126 44 HD2 TYR 6 HD1 TYR 6 2.602 10.461 -2.058 45 HE1 TYR 6 HE2 TYR 6 -0.354 12.714 -5.341 46 HE2 TYR 6 HE1 TYR 6 0.832 12.004 -1.278 47 HH TYR 6 HH TYR 6 -0.640 13.597 -1.927 48 H ARG 7 H ARG 7 4.574 13.057 -5.192 49 HA ARG 7 HA ARG 7 5.800 14.598 -3.935 50 HB2 ARG 7 1HB ARG 7 4.679 12.797 -1.776 51 HB3 ARG 7 2HB ARG 7 5.377 14.390 -1.484 52 HG2 ARG 7 1HG ARG 7 3.699 15.420 -2.956 53 HG3 ARG 7 2HG ARG 7 3.018 13.833 -3.310 54 HD2 ARG 7 1HD ARG 7 1.657 14.903 -1.590 55 HD3 ARG 7 2HD ARG 7 2.527 13.548 -0.869 56 HE ARG 7 HE ARG 7 4.087 15.933 -0.563 57 HH11 ARG 7 1HH2 ARG 7 1.181 14.388 0.559 58 HH12 ARG 7 2HH2 ARG 7 1.227 15.172 2.103 59 HH21 ARG 7 1HH1 ARG 7 4.132 16.936 1.444 60 HH22 ARG 7 2HH1 ARG 7 2.887 16.604 2.601 61 H GLY 8 H GLY 8 7.318 12.315 -4.908 62 HA2 GLY 8 1HA GLY 8 9.697 12.015 -4.721 63 HA3 GLY 8 2HA GLY 8 9.621 12.547 -3.041 64 H TYR 9 H TYR 9 7.212 10.714 -2.698 65 HA TYR 9 HA TYR 9 8.767 8.352 -1.896 66 HB2 TYR 9 1HB TYR 9 5.876 9.167 -1.527 67 HB3 TYR 9 2HB TYR 9 6.493 7.597 -1.012 68 HD1 TYR 9 HD2 TYR 9 6.760 11.261 -0.498 69 HD2 TYR 9 HD1 TYR 9 7.947 7.373 0.889 70 HE1 TYR 9 HE2 TYR 9 7.655 12.275 1.582 71 HE2 TYR 9 HE1 TYR 9 8.842 8.387 2.968 72 HH TYR 9 HH TYR 9 9.759 10.998 3.489 73 H GLU 10 H GLU 10 8.609 6.340 -2.744 74 HA GLU 10 HA GLU 10 7.364 6.114 -5.433 75 HB2 GLU 10 1HB GLU 10 9.315 4.347 -3.922 76 HB3 GLU 10 2HB GLU 10 8.656 3.952 -5.510 77 HG2 GLU 10 1HG GLU 10 9.598 6.011 -6.445 78 HG3 GLU 10 2HG GLU 10 10.213 6.472 -4.858 79 H ILE 11 H ILE 11 5.753 4.729 -5.890 80 HA ILE 11 HA ILE 11 4.525 3.192 -3.616 81 HB ILE 11 HB ILE 11 3.204 4.523 -6.003 82 HG12 ILE 11 1HG1 ILE 11 2.874 5.043 -3.034 83 HG13 ILE 11 2HG1 ILE 11 3.958 5.977 -4.065 84 HG21 ILE 11 1HG2 ILE 11 2.164 2.701 -3.823 85 HG22 ILE 11 2HG2 ILE 11 2.002 2.508 -5.569 86 HG23 ILE 11 3HG2 ILE 11 1.103 3.777 -4.734 87 HD11 ILE 11 3HD1 ILE 11 1.672 7.008 -3.747 88 HD12 ILE 11 1HD1 ILE 11 1.003 5.636 -4.631 89 HD13 ILE 11 2HD1 ILE 11 2.123 6.738 -5.431 90 H GLU 12 H GLU 12 4.391 1.089 -3.877 91 HA GLU 12 HA GLU 12 4.653 -0.080 -6.616 92 HB2 GLU 12 1HB GLU 12 6.695 -0.461 -5.425 93 HB3 GLU 12 2HB GLU 12 5.813 -1.112 -4.043 94 HG2 GLU 12 1HG GLU 12 5.031 -2.995 -5.334 95 HG3 GLU 12 2HG GLU 12 5.635 -2.284 -6.831 96 HA PRO 13 HA PRO 13 0.678 -1.594 -4.865 97 HB2 PRO 13 1HB PRO 13 -0.642 -1.801 -7.246 98 HB3 PRO 13 2HB PRO 13 -0.457 -0.263 -6.380 99 HG2 PRO 13 1HG PRO 13 1.028 -1.299 -8.747 100 HG3 PRO 13 2HG PRO 13 0.516 0.356 -8.372 101 HD2 PRO 13 1HD PRO 13 3.079 -0.620 -8.011 102 HD3 PRO 13 2HD PRO 13 2.422 0.796 -7.158 103 H GLY 14 H GLY 14 -0.355 -3.633 -4.940 104 HA2 GLY 14 1HA GLY 14 -0.093 -5.720 -6.717 105 HA3 GLY 14 2HA GLY 14 1.376 -5.835 -5.752 106 H HIS 15 H HIS 15 -2.049 -6.260 -5.798 107 HA HIS 15 HA HIS 15 -2.796 -6.483 -3.129 108 HB2 HIS 15 1HB HIS 15 -4.511 -8.031 -3.845 109 HB3 HIS 15 2HB HIS 15 -4.282 -6.849 -5.135 110 HD1 HIS 15 HD1 HIS 15 -2.880 -7.666 -7.242 111 HD2 HIS 15 HD2 HIS 15 -3.918 -10.678 -4.555 112 HE1 HIS 15 HE1 HIS 15 -2.516 -9.861 -8.452 113 H GLN 16 H GLN 16 -2.691 -8.077 -1.574 114 HA GLN 16 HA GLN 16 -1.088 -10.516 -2.105 115 HB2 GLN 16 1HB GLN 16 0.480 -8.658 -1.373 116 HB3 GLN 16 2HB GLN 16 -0.381 -8.645 0.166 117 HG2 GLN 16 1HG GLN 16 0.183 -10.958 0.583 118 HG3 GLN 16 2HG GLN 16 0.893 -11.117 -1.023 119 HE21 GLN 16 2HE2 GLN 16 2.379 -11.612 1.411 120 HE22 GLN 16 1HE2 GLN 16 3.602 -10.439 1.519 121 H TYR 17 H TYR 17 -1.265 -12.072 -0.400 122 HA TYR 17 HA TYR 17 -3.842 -11.844 1.094 123 HB2 TYR 17 1HB TYR 17 -3.534 -13.766 -0.464 124 HB3 TYR 17 2HB TYR 17 -2.159 -14.301 0.503 125 HD1 TYR 17 HD1 TYR 17 -5.811 -13.735 0.503 126 HD2 TYR 17 HD2 TYR 17 -2.470 -15.339 2.663 127 HE1 TYR 17 HE1 TYR 17 -7.369 -14.868 2.063 128 HE2 TYR 17 HE2 TYR 17 -4.027 -16.468 4.231 129 HH TYR 17 HH TYR 17 -6.845 -17.246 3.780 130 H ARG 18 H ARG 18 -3.720 -11.370 3.155 131 HA ARG 18 HA ARG 18 -1.176 -11.773 4.655 132 HB2 ARG 18 1HB ARG 18 -3.708 -10.234 5.305 133 HB3 ARG 18 2HB ARG 18 -2.324 -10.364 6.392 134 HG2 ARG 18 1HG ARG 18 -0.875 -9.352 4.664 135 HG3 ARG 18 2HG ARG 18 -2.262 -9.214 3.584 136 HD2 ARG 18 1HD ARG 18 -1.947 -7.062 4.654 137 HD3 ARG 18 2HD ARG 18 -3.391 -7.801 5.343 138 HE ARG 18 HE ARG 18 -1.125 -8.511 6.943 139 HH11 ARG 18 1HH2 ARG 18 -3.158 -5.825 6.095 140 HH12 ARG 18 2HH2 ARG 18 -2.917 -5.017 7.610 141 HH21 ARG 18 1HH1 ARG 18 -0.824 -7.453 8.902 142 HH22 ARG 18 2HH1 ARG 18 -1.605 -5.935 9.189 143 H ASP 19 H ASP 19 -0.987 -13.158 6.317 144 HA ASP 19 HA ASP 19 -3.018 -15.236 6.657 145 HB2 ASP 19 1HB ASP 19 -0.307 -14.728 7.924 146 HB3 ASP 19 2HB ASP 19 -1.327 -16.097 8.370 147 H ASP 20 H ASP 20 -2.041 -12.320 8.279 148 HA ASP 20 HA ASP 20 -3.050 -12.829 10.907 149 HB2 ASP 20 1HB ASP 20 -1.621 -10.894 10.408 150 HB3 ASP 20 2HB ASP 20 -2.865 -10.222 9.355 151 H ILE 21 H ILE 21 -4.605 -11.410 8.022 152 HA ILE 21 HA ILE 21 -7.260 -11.627 9.413 153 HB ILE 21 HB ILE 21 -8.032 -10.127 7.497 154 HG12 ILE 21 1HG1 ILE 21 -5.050 -9.654 7.152 155 HG13 ILE 21 2HG1 ILE 21 -6.000 -10.665 6.062 156 HG21 ILE 21 1HG2 ILE 21 -5.950 -9.243 9.521 157 HG22 ILE 21 2HG2 ILE 21 -7.705 -9.162 9.668 158 HG23 ILE 21 3HG2 ILE 21 -6.866 -8.097 8.540 159 HD11 ILE 21 3HD1 ILE 21 -5.702 -8.221 5.358 160 HD12 ILE 21 1HD1 ILE 21 -6.774 -7.809 6.697 161 HD13 ILE 21 2HD1 ILE 21 -7.357 -8.826 5.379 162 H ARG 22 H ARG 22 -5.342 -13.369 7.422 163 HA ARG 22 HA ARG 22 -5.690 -14.954 5.720 164 HB2 ARG 22 1HB ARG 22 -8.100 -15.323 7.513 165 HB3 ARG 22 2HB ARG 22 -7.640 -16.463 6.249 166 HG2 ARG 22 1HG ARG 22 -5.411 -16.723 7.310 167 HG3 ARG 22 2HG ARG 22 -5.907 -15.623 8.595 168 HD2 ARG 22 1HD ARG 22 -7.341 -18.204 7.924 169 HD3 ARG 22 2HD ARG 22 -6.145 -18.047 9.209 170 HE ARG 22 HE ARG 22 -8.901 -17.120 9.317 171 HH11 ARG 22 1HH2 ARG 22 -5.653 -16.581 10.412 172 HH12 ARG 22 2HH2 ARG 22 -6.156 -15.782 11.866 173 HH21 ARG 22 1HH1 ARG 22 -9.541 -16.089 11.199 174 HH22 ARG 22 2HH1 ARG 22 -8.346 -15.505 12.309 175 H LYS 23 H LYS 23 -6.498 -12.371 4.958 176 HA LYS 23 HA LYS 23 -8.550 -13.071 2.937 177 HB2 LYS 23 1HB LYS 23 -9.506 -11.855 5.085 178 HB3 LYS 23 2HB LYS 23 -8.789 -10.419 4.358 179 HG2 LYS 23 1HG LYS 23 -10.902 -10.366 3.395 180 HG3 LYS 23 2HG LYS 23 -10.027 -11.273 2.173 181 HD2 LYS 23 1HD LYS 23 -10.812 -13.391 3.142 182 HD3 LYS 23 2HD LYS 23 -11.652 -12.506 4.413 183 HE2 LYS 23 1HE LYS 23 -13.046 -11.392 2.706 184 HE3 LYS 23 2HE LYS 23 -12.213 -12.296 1.442 185 HZ1 LYS 23 3HZ LYS 23 -14.084 -13.267 3.490 186 HZ2 LYS 23 1HZ LYS 23 -12.917 -14.326 2.864 187 HZ3 LYS 23 2HZ LYS 23 -14.045 -13.597 1.824 188 H TYR 24 H TYR 24 -8.614 -11.503 1.174 189 HA TYR 24 HA TYR 24 -5.925 -10.500 0.541 190 HB2 TYR 24 1HB TYR 24 -8.495 -10.563 -1.080 191 HB3 TYR 24 2HB TYR 24 -6.932 -10.019 -1.691 192 HD1 TYR 24 HD1 TYR 24 -8.853 -12.944 -0.482 193 HD2 TYR 24 HD2 TYR 24 -5.152 -11.573 -2.180 194 HE1 TYR 24 HE1 TYR 24 -8.222 -15.289 -0.998 195 HE2 TYR 24 HE2 TYR 24 -4.520 -13.918 -2.692 196 HH TYR 24 HH TYR 24 -5.073 -16.057 -2.485 197 H VAL 25 H VAL 25 -5.324 -8.441 0.594 198 HA VAL 25 HA VAL 25 -7.356 -6.302 0.648 199 HB VAL 25 HB VAL 25 -6.277 -5.248 2.655 200 HG11 VAL 25 1HG1 VAL 25 -7.365 -8.020 3.185 201 HG12 VAL 25 2HG1 VAL 25 -8.368 -6.651 2.719 202 HG13 VAL 25 3HG1 VAL 25 -7.477 -6.609 4.238 203 HG21 VAL 25 3HG2 VAL 25 -4.793 -6.507 4.034 204 HG22 VAL 25 1HG2 VAL 25 -4.137 -6.635 2.406 205 HG23 VAL 25 2HG2 VAL 25 -5.045 -7.978 3.097 206 HA PRO 26 HA PRO 26 -4.535 -4.042 -1.939 207 HB2 PRO 26 1HB PRO 26 -4.817 -1.830 0.073 208 HB3 PRO 26 2HB PRO 26 -5.017 -1.790 -1.682 209 HG2 PRO 26 1HG PRO 26 -7.118 -1.816 0.012 210 HG3 PRO 26 2HG PRO 26 -7.169 -2.520 -1.607 211 HD2 PRO 26 1HD PRO 26 -7.168 -3.897 0.995 212 HD3 PRO 26 2HD PRO 26 -7.627 -4.504 -0.610 213 H TYR 27 H TYR 27 -2.489 -4.789 -1.802 214 HA TYR 27 HA TYR 27 -0.841 -4.071 0.611 215 HB2 TYR 27 1HB TYR 27 -1.256 -6.511 0.290 216 HB3 TYR 27 2HB TYR 27 -0.459 -6.412 -1.282 217 HD1 TYR 27 HD1 TYR 27 1.952 -5.948 -1.449 218 HD2 TYR 27 HD2 TYR 27 0.001 -6.303 2.363 219 HE1 TYR 27 HE1 TYR 27 4.160 -6.141 -0.336 220 HE2 TYR 27 HE2 TYR 27 2.207 -6.500 3.474 221 HH TYR 27 HH TYR 27 4.423 -6.332 3.205 222 H ALA 28 H ALA 28 0.633 -2.603 0.212 223 HA ALA 28 HA ALA 28 2.089 -2.641 -2.389 224 HB1 ALA 28 3HB ALA 28 1.275 0.054 -1.354 225 HB2 ALA 28 1HB ALA 28 0.058 -0.910 -2.179 226 HB3 ALA 28 2HB ALA 28 1.547 -0.479 -3.009 227 H LEU 29 H LEU 29 4.115 -1.607 -2.302 228 HA LEU 29 HA LEU 29 5.215 -1.265 0.473 229 HB2 LEU 29 1HB LEU 29 6.685 -1.998 -2.083 230 HB3 LEU 29 2HB LEU 29 7.359 -1.950 -0.456 231 HG LEU 29 HG LEU 29 5.102 -3.768 -1.349 232 HD11 LEU 29 1HD1 LEU 29 7.200 -4.472 -2.357 233 HD12 LEU 29 2HD1 LEU 29 6.821 -5.563 -1.025 234 HD13 LEU 29 3HD1 LEU 29 8.038 -4.305 -0.814 235 HD21 LEU 29 3HD2 LEU 29 4.766 -3.477 0.950 236 HD22 LEU 29 1HD2 LEU 29 6.482 -3.252 1.284 237 HD23 LEU 29 2HD2 LEU 29 5.851 -4.861 0.935 238 H ILE 30 H ILE 30 5.956 0.663 0.998 239 HA ILE 30 HA ILE 30 6.265 2.749 -1.136 240 HB ILE 30 HB ILE 30 5.706 3.031 1.833 241 HG12 ILE 30 1HG1 ILE 30 3.963 3.714 -0.552 242 HG13 ILE 30 2HG1 ILE 30 3.838 2.191 0.328 243 HG21 ILE 30 1HG2 ILE 30 6.995 4.924 1.153 244 HG22 ILE 30 2HG2 ILE 30 5.314 5.454 1.102 245 HG23 ILE 30 3HG2 ILE 30 6.151 5.033 -0.392 246 HD11 ILE 30 3HD1 ILE 30 2.222 3.982 1.096 247 HD12 ILE 30 1HD1 ILE 30 3.618 4.902 1.658 248 HD13 ILE 30 2HD1 ILE 30 3.254 3.331 2.369 249 H ARG 31 H ARG 31 8.203 3.569 -1.483 250 HA ARG 31 HA ARG 31 10.356 3.245 0.584 251 HB2 ARG 31 1HB ARG 31 10.539 2.725 -2.397 252 HB3 ARG 31 2HB ARG 31 11.939 2.872 -1.332 253 HG2 ARG 31 1HG ARG 31 11.119 1.000 0.032 254 HG3 ARG 31 2HG ARG 31 9.701 0.853 -1.007 255 HD2 ARG 31 1HD ARG 31 11.175 0.396 -2.947 256 HD3 ARG 31 2HD ARG 31 12.585 0.511 -1.893 257 HE ARG 31 HE ARG 31 10.671 -1.442 -0.916 258 HH11 ARG 31 1HH2 ARG 31 13.215 -0.841 -3.202 259 HH12 ARG 31 2HH2 ARG 31 13.660 -2.512 -3.320 260 HH21 ARG 31 1HH1 ARG 31 11.256 -3.603 -1.077 261 HH22 ARG 31 2HH1 ARG 31 12.556 -4.067 -2.124 262 H LYS 32 H LYS 32 11.396 5.056 1.009 263 HA LYS 32 HA LYS 32 10.724 7.525 -0.440 264 HB2 LYS 32 1HB LYS 32 10.839 7.483 2.044 265 HB3 LYS 32 2HB LYS 32 12.557 7.093 1.944 266 HG2 LYS 32 1HG LYS 32 12.988 9.194 0.750 267 HG3 LYS 32 2HG LYS 32 11.267 9.575 0.771 268 HD2 LYS 32 1HD LYS 32 11.311 9.606 3.244 269 HD3 LYS 32 2HD LYS 32 13.038 9.245 3.212 270 HE2 LYS 32 1HE LYS 32 13.470 11.331 1.983 271 HE3 LYS 32 2HE LYS 32 11.743 11.692 1.972 272 HZ1 LYS 32 3HZ LYS 32 11.730 12.177 4.182 273 HZ2 LYS 32 1HZ LYS 32 13.314 12.657 3.810 274 HZ3 LYS 32 2HZ LYS 32 13.034 11.151 4.544 275 H VAL 33 H VAL 33 12.030 8.587 -1.793 276 HA VAL 33 HA VAL 33 14.271 7.270 -3.008 277 HB VAL 33 HB VAL 33 13.296 10.142 -3.187 278 HG11 VAL 33 1HG1 VAL 33 15.465 8.640 -4.663 279 HG12 VAL 33 2HG1 VAL 33 15.570 10.213 -3.874 280 HG13 VAL 33 3HG1 VAL 33 14.660 10.039 -5.374 281 HG21 VAL 33 3HG2 VAL 33 13.052 7.872 -5.181 282 HG22 VAL 33 1HG2 VAL 33 12.226 9.430 -5.220 283 HG23 VAL 33 2HG2 VAL 33 11.801 8.238 -3.991 284 H GLY 34 H GLY 34 16.376 7.392 -2.578 285 HA2 GLY 34 1HA GLY 34 18.386 8.587 -1.856 286 HA3 GLY 34 2HA GLY 34 17.407 9.471 -0.682 287 H VAL 35 H VAL 35 16.013 6.733 -0.246 288 HA VAL 35 HA VAL 35 18.081 5.167 1.139 289 HB VAL 35 HB VAL 35 16.839 5.320 3.334 290 HG11 VAL 35 1HG1 VAL 35 17.969 7.297 4.024 291 HG12 VAL 35 2HG1 VAL 35 17.834 8.025 2.425 292 HG13 VAL 35 3HG1 VAL 35 18.927 6.666 2.686 293 HG21 VAL 35 3HG2 VAL 35 14.739 6.285 2.196 294 HG22 VAL 35 1HG2 VAL 35 15.597 7.825 2.171 295 HG23 VAL 35 2HG2 VAL 35 15.232 7.042 3.708 296 HA PRO 36 HA PRO 36 14.169 3.019 -0.445 297 HB2 PRO 36 1HB PRO 36 15.363 1.587 -2.477 298 HB3 PRO 36 2HB PRO 36 14.676 3.207 -2.703 299 HG2 PRO 36 1HG PRO 36 17.527 2.402 -2.329 300 HG3 PRO 36 2HG PRO 36 16.832 3.633 -3.401 301 HD2 PRO 36 1HD PRO 36 18.042 4.254 -1.020 302 HD3 PRO 36 2HD PRO 36 16.741 5.235 -1.730 303 H ASP 37 H ASP 37 17.287 2.247 0.665 304 HA ASP 37 HA ASP 37 17.069 -0.633 0.771 305 HB2 ASP 37 1HB ASP 37 19.232 0.626 0.860 306 HB3 ASP 37 2HB ASP 37 18.792 1.224 2.459 307 H ARG 38 H ARG 38 17.997 0.008 3.803 308 HA ARG 38 HA ARG 38 17.020 -0.597 5.848 309 HB2 ARG 38 1HB ARG 38 15.114 1.487 4.769 310 HB3 ARG 38 2HB ARG 38 14.975 0.828 6.397 311 HG2 ARG 38 1HG ARG 38 17.633 1.914 5.476 312 HG3 ARG 38 2HG ARG 38 16.373 3.036 5.986 313 HD2 ARG 38 1HD ARG 38 17.403 0.724 7.670 314 HD3 ARG 38 2HD ARG 38 17.881 2.406 7.866 315 HE ARG 38 HE ARG 38 15.080 2.409 8.010 316 HH11 ARG 38 1HH2 ARG 38 17.744 0.914 9.660 317 HH12 ARG 38 2HH2 ARG 38 16.912 0.834 11.177 318 HH21 ARG 38 1HH1 ARG 38 14.007 2.292 9.988 319 HH22 ARG 38 2HH1 ARG 38 14.811 1.609 11.361 320 H THR 39 H THR 39 14.527 -0.908 6.768 321 HA THR 39 HA THR 39 13.644 -3.298 5.319 322 HB THR 39 HB THR 39 12.655 -2.223 7.964 323 HG1 THR 39 HG1 THR 39 14.599 -2.786 8.532 324 HG21 THR 39 3HG2 THR 39 12.543 -5.014 6.787 325 HG22 THR 39 1HG2 THR 39 11.196 -3.876 6.750 326 HG23 THR 39 2HG2 THR 39 11.807 -4.471 8.294 327 HA PRO 40 HA PRO 40 10.313 -0.810 3.595 328 HB2 PRO 40 1HB PRO 40 8.972 -2.766 2.268 329 HB3 PRO 40 2HB PRO 40 10.547 -2.158 1.719 330 HG2 PRO 40 1HG PRO 40 9.916 -4.641 3.261 331 HG3 PRO 40 2HG PRO 40 11.042 -4.409 1.909 332 HD2 PRO 40 1HD PRO 40 11.839 -4.486 4.533 333 HD3 PRO 40 2HD PRO 40 12.715 -3.593 3.262 334 H ILE 41 H ILE 41 8.190 -0.323 4.062 335 HA ILE 41 HA ILE 41 6.904 -1.967 6.181 336 HB ILE 41 HB ILE 41 6.429 0.957 5.647 337 HG12 ILE 41 1HG1 ILE 41 8.762 0.659 6.310 338 HG13 ILE 41 2HG1 ILE 41 7.858 1.315 7.672 339 HG21 ILE 41 1HG2 ILE 41 4.608 -0.148 6.821 340 HG22 ILE 41 2HG2 ILE 41 5.507 0.837 7.975 341 HG23 ILE 41 3HG2 ILE 41 5.742 -0.908 7.937 342 HD11 ILE 41 3HD1 ILE 41 8.859 -1.506 7.273 343 HD12 ILE 41 1HD1 ILE 41 7.576 -1.147 8.427 344 HD13 ILE 41 2HD1 ILE 41 9.164 -0.416 8.617 345 HA PRO 42 HA PRO 42 3.822 -2.503 2.932 346 HB2 PRO 42 1HB PRO 42 2.091 -4.098 4.307 347 HB3 PRO 42 2HB PRO 42 3.650 -4.684 3.691 348 HG2 PRO 42 1HG PRO 42 2.907 -3.849 6.460 349 HG3 PRO 42 2HG PRO 42 3.918 -5.204 5.922 350 HD2 PRO 42 1HD PRO 42 4.929 -2.826 6.852 351 HD3 PRO 42 2HD PRO 42 5.798 -3.902 5.727 352 H THR 43 H THR 43 1.884 -1.571 2.392 353 HA THR 43 HA THR 43 0.472 0.016 4.519 354 HB THR 43 HB THR 43 1.571 1.638 3.207 355 HG1 THR 43 HG1 THR 43 -0.747 1.525 1.680 356 HG21 THR 43 3HG2 THR 43 0.966 -0.219 0.922 357 HG22 THR 43 1HG2 THR 43 2.489 0.561 1.355 358 HG23 THR 43 2HG2 THR 43 1.201 1.499 0.602 359 H THR 44 H THR 44 -1.597 -0.350 4.695 360 HA THR 44 HA THR 44 -3.148 -1.496 2.429 361 HB THR 44 HB THR 44 -4.079 -3.252 3.766 362 HG1 THR 44 HG1 THR 44 -4.072 -2.008 5.736 363 HG21 THR 44 3HG2 THR 44 -1.733 -3.540 2.808 364 HG22 THR 44 1HG2 THR 44 -2.177 -4.643 4.109 365 HG23 THR 44 2HG2 THR 44 -1.136 -3.260 4.443 366 H TYR 45 H TYR 45 -5.493 -1.471 2.951 367 HA TYR 45 HA TYR 45 -6.194 0.878 4.644 368 HB2 TYR 45 1HB TYR 45 -6.302 1.284 2.182 369 HB3 TYR 45 2HB TYR 45 -7.579 0.072 2.098 370 HD1 TYR 45 HD2 TYR 45 -6.622 3.267 3.794 371 HD2 TYR 45 HD1 TYR 45 -9.816 0.649 2.611 372 HE1 TYR 45 HE2 TYR 45 -8.281 4.976 4.489 373 HE2 TYR 45 HE1 TYR 45 -11.474 2.358 3.305 374 HH TYR 45 HH TYR 45 -10.672 5.557 3.906 375 HA PRO 46 HA PRO 46 -8.680 -2.167 6.879 376 HB2 PRO 46 1HB PRO 46 -10.430 0.234 7.332 377 HB3 PRO 46 2HB PRO 46 -9.786 -0.930 8.505 378 HG2 PRO 46 1HG PRO 46 -8.760 1.545 8.200 379 HG3 PRO 46 2HG PRO 46 -7.773 0.151 8.671 380 HD2 PRO 46 1HD PRO 46 -7.840 1.611 6.095 381 HD3 PRO 46 2HD PRO 46 -6.554 0.599 6.804 382 H GLU 47 H GLU 47 -9.312 -3.169 4.814 383 HA GLU 47 HA GLU 47 -12.162 -3.140 4.423 384 HB2 GLU 47 1HB GLU 47 -11.492 -1.035 3.194 385 HB3 GLU 47 2HB GLU 47 -10.562 -2.052 2.094 386 HG2 GLU 47 1HG GLU 47 -12.722 -1.695 1.080 387 HG3 GLU 47 2HG GLU 47 -12.681 -3.361 1.651 388 H PHE 48 H PHE 48 -12.835 -4.904 3.189 389 HA PHE 48 HA PHE 48 -10.657 -6.821 2.415 390 HB2 PHE 48 1HB PHE 48 -13.535 -7.398 3.175 391 HB3 PHE 48 2HB PHE 48 -12.289 -8.590 2.820 392 HD1 PHE 48 HD2 PHE 48 -10.049 -8.344 4.216 393 HD2 PHE 48 HD1 PHE 48 -13.859 -6.755 5.408 394 HE1 PHE 48 HE2 PHE 48 -9.277 -8.248 6.573 395 HE2 PHE 48 HE1 PHE 48 -13.083 -6.656 7.758 396 HZ PHE 48 HZ PHE 48 -10.793 -7.403 8.341 397 H TYR 49 H TYR 49 -10.456 -7.311 0.359 398 HA TYR 49 HA TYR 49 -12.767 -6.822 -1.510 399 HB2 TYR 49 1HB TYR 49 -9.826 -6.186 -1.808 400 HB3 TYR 49 2HB TYR 49 -10.861 -6.404 -3.222 401 HD1 TYR 49 HD2 TYR 49 -12.946 -4.997 -3.452 402 HD2 TYR 49 HD1 TYR 49 -9.916 -4.175 -0.528 403 HE1 TYR 49 HE2 TYR 49 -13.844 -2.702 -3.166 404 HE2 TYR 49 HE1 TYR 49 -10.805 -1.883 -0.243 405 HH TYR 49 HH TYR 49 -12.509 -0.505 -0.717 406 H ASP 50 H ASP 50 -13.314 -8.452 -2.762 407 HA ASP 50 HA ASP 50 -11.919 -11.040 -2.478 408 HB2 ASP 50 1HB ASP 50 -14.475 -10.205 -3.898 409 HB3 ASP 50 2HB ASP 50 -13.846 -11.849 -3.922 410 H LEU 51 H LEU 51 -12.270 -8.422 -4.740 411 HA LEU 51 HA LEU 51 -10.966 -10.007 -6.921 412 HB2 LEU 51 1HB LEU 51 -12.234 -7.249 -7.039 413 HB3 LEU 51 2HB LEU 51 -11.679 -8.214 -8.406 414 HG LEU 51 HG LEU 51 -13.881 -9.027 -6.485 415 HD11 LEU 51 1HD1 LEU 51 -14.438 -7.122 -8.040 416 HD12 LEU 51 2HD1 LEU 51 -15.413 -8.569 -8.301 417 HD13 LEU 51 3HD1 LEU 51 -14.080 -8.196 -9.393 418 HD21 LEU 51 3HD2 LEU 51 -14.231 -10.705 -8.494 419 HD22 LEU 51 1HD2 LEU 51 -13.007 -11.050 -7.276 420 HD23 LEU 51 2HD2 LEU 51 -12.534 -10.362 -8.830 421 H GLU 52 H GLU 52 -8.942 -9.614 -7.471 422 HA GLU 52 HA GLU 52 -7.220 -7.953 -5.876 423 HB2 GLU 52 1HB GLU 52 -5.532 -8.523 -7.734 424 HB3 GLU 52 2HB GLU 52 -6.214 -9.881 -6.843 425 HG2 GLU 52 1HG GLU 52 -7.539 -8.932 -9.382 426 HG3 GLU 52 2HG GLU 52 -6.134 -9.985 -9.465 427 H ALA 53 H ALA 53 -8.781 -7.596 -9.011 428 HA ALA 53 HA ALA 53 -7.415 -5.370 -10.055 429 HB1 ALA 53 3HB ALA 53 -9.535 -4.867 -11.255 430 HB2 ALA 53 1HB ALA 53 -10.388 -5.993 -10.200 431 HB3 ALA 53 2HB ALA 53 -9.153 -6.586 -11.310 432 H ASP 54 H ASP 54 -10.228 -5.423 -7.865 433 HA ASP 54 HA ASP 54 -10.418 -2.569 -7.566 434 HB2 ASP 54 1HB ASP 54 -11.426 -4.956 -6.017 435 HB3 ASP 54 2HB ASP 54 -11.571 -3.357 -5.292 436 H ALA 55 H ALA 55 -8.643 -5.068 -5.822 437 HA ALA 55 HA ALA 55 -7.718 -3.408 -3.673 438 HB1 ALA 55 3HB ALA 55 -5.959 -5.196 -3.413 439 HB2 ALA 55 1HB ALA 55 -6.566 -5.937 -4.893 440 HB3 ALA 55 2HB ALA 55 -7.604 -5.826 -3.473 441 H GLU 56 H GLU 56 -6.458 -4.121 -6.893 442 HA GLU 56 HA GLU 56 -3.876 -2.931 -6.598 443 HB2 GLU 56 1HB GLU 56 -5.687 -3.306 -9.005 444 HB3 GLU 56 2HB GLU 56 -4.060 -2.638 -9.133 445 HG2 GLU 56 1HG GLU 56 -4.659 -5.301 -7.832 446 HG3 GLU 56 2HG GLU 56 -4.208 -5.136 -9.526 447 H ARG 57 H ARG 57 -6.904 -1.575 -7.918 448 HA ARG 57 HA ARG 57 -5.897 1.073 -8.316 449 HB2 ARG 57 1HB ARG 57 -8.004 0.210 -9.332 450 HB3 ARG 57 2HB ARG 57 -8.755 0.215 -7.735 451 HG2 ARG 57 1HG ARG 57 -8.401 2.636 -7.552 452 HG3 ARG 57 2HG ARG 57 -7.592 2.649 -9.119 453 HD2 ARG 57 1HD ARG 57 -9.692 1.760 -10.154 454 HD3 ARG 57 2HD ARG 57 -10.479 1.906 -8.584 455 HE ARG 57 HE ARG 57 -10.485 4.280 -8.827 456 HH11 ARG 57 1HH2 ARG 57 -8.683 2.677 -11.325 457 HH12 ARG 57 2HH2 ARG 57 -8.573 4.095 -12.314 458 HH21 ARG 57 1HH1 ARG 57 -10.338 6.109 -10.118 459 HH22 ARG 57 2HH1 ARG 57 -9.504 6.027 -11.634 460 H VAL 58 H VAL 58 -7.622 -0.426 -5.609 461 HA VAL 58 HA VAL 58 -7.800 1.925 -3.978 462 HB VAL 58 HB VAL 58 -7.783 -1.026 -3.262 463 HG11 VAL 58 1HG1 VAL 58 -8.246 1.442 -1.574 464 HG12 VAL 58 2HG1 VAL 58 -7.122 0.120 -1.269 465 HG13 VAL 58 3HG1 VAL 58 -8.860 -0.144 -1.109 466 HG21 VAL 58 3HG2 VAL 58 -9.664 0.027 -4.683 467 HG22 VAL 58 1HG2 VAL 58 -10.100 0.919 -3.225 468 HG23 VAL 58 2HG2 VAL 58 -10.153 -0.844 -3.230 469 H SER 59 H SER 59 -5.367 -0.632 -4.273 470 HA SER 59 HA SER 59 -3.709 0.025 -2.079 471 HB2 SER 59 1HB SER 59 -2.928 -0.994 -4.837 472 HB3 SER 59 2HB SER 59 -1.871 -0.996 -3.434 473 HG SER 59 HG SER 59 -3.785 -2.745 -4.127 474 H ILE 60 H ILE 60 -3.726 1.348 -5.375 475 HA ILE 60 HA ILE 60 -1.480 3.102 -5.042 476 HB ILE 60 HB ILE 60 -3.920 3.266 -6.848 477 HG12 ILE 60 1HG1 ILE 60 -1.057 2.498 -7.484 478 HG13 ILE 60 2HG1 ILE 60 -2.305 1.318 -7.080 479 HG21 ILE 60 1HG2 ILE 60 -2.346 4.801 -8.190 480 HG22 ILE 60 2HG2 ILE 60 -1.412 4.944 -6.701 481 HG23 ILE 60 3HG2 ILE 60 -3.089 5.489 -6.746 482 HD11 ILE 60 3HD1 ILE 60 -2.148 1.522 -9.507 483 HD12 ILE 60 1HD1 ILE 60 -2.364 3.269 -9.401 484 HD13 ILE 60 2HD1 ILE 60 -3.688 2.189 -8.965 485 H ALA 61 H ALA 61 -4.983 3.637 -4.654 486 HA ALA 61 HA ALA 61 -4.760 6.400 -3.862 487 HB1 ALA 61 3HB ALA 61 -6.861 5.186 -4.684 488 HB2 ALA 61 1HB ALA 61 -7.082 6.244 -3.291 489 HB3 ALA 61 2HB ALA 61 -6.982 4.498 -3.064 490 H CYS 62 H CYS 62 -4.791 3.340 -2.108 491 HA CYS 62 HA CYS 62 -4.985 4.427 0.535 492 HB2 CYS 62 1HB CYS 62 -5.406 2.067 0.171 493 HB3 CYS 62 2HB CYS 62 -3.781 1.832 -0.475 494 HG CYS 62 HG CYS 62 -2.794 2.113 1.871 495 H ALA 63 H ALA 63 -2.164 3.375 -1.377 496 HA ALA 63 HA ALA 63 -0.119 3.935 0.473 497 HB1 ALA 63 3HB ALA 63 0.119 2.861 -1.823 498 HB2 ALA 63 1HB ALA 63 1.377 4.027 -1.415 499 HB3 ALA 63 2HB ALA 63 0.071 4.487 -2.507 500 H LYS 64 H LYS 64 -1.772 6.118 -1.775 501 HA LYS 64 HA LYS 64 -0.158 8.440 -1.287 502 HB2 LYS 64 1HB LYS 64 -3.048 8.130 -2.163 503 HB3 LYS 64 2HB LYS 64 -2.208 9.681 -2.119 504 HG2 LYS 64 1HG LYS 64 -0.500 8.809 -3.668 505 HG3 LYS 64 2HG LYS 64 -1.328 7.251 -3.712 506 HD2 LYS 64 1HD LYS 64 -3.341 8.345 -4.636 507 HD3 LYS 64 2HD LYS 64 -2.513 9.901 -4.597 508 HE2 LYS 64 1HE LYS 64 -0.801 9.030 -6.152 509 HE3 LYS 64 2HE LYS 64 -1.635 7.476 -6.196 510 HZ1 LYS 64 3HZ LYS 64 -2.579 10.089 -7.208 511 HZ2 LYS 64 1HZ LYS 64 -3.646 8.801 -6.927 512 HZ3 LYS 64 2HZ LYS 64 -2.393 8.633 -8.062 513 H ILE 65 H ILE 65 -3.078 7.178 0.289 514 HA ILE 65 HA ILE 65 -3.546 9.410 2.030 515 HB ILE 65 HB ILE 65 -4.236 6.466 2.329 516 HG12 ILE 65 1HG1 ILE 65 -5.975 8.845 1.599 517 HG13 ILE 65 2HG1 ILE 65 -5.247 7.767 0.409 518 HG21 ILE 65 1HG2 ILE 65 -5.962 7.434 3.983 519 HG22 ILE 65 2HG2 ILE 65 -4.962 8.885 3.991 520 HG23 ILE 65 3HG2 ILE 65 -4.291 7.350 4.539 521 HD11 ILE 65 3HD1 ILE 65 -7.443 6.912 0.751 522 HD12 ILE 65 1HD1 ILE 65 -7.326 7.103 2.499 523 HD13 ILE 65 2HD1 ILE 65 -6.394 5.851 1.687 524 H ILE 66 H ILE 66 -1.714 6.396 2.476 525 HA ILE 66 HA ILE 66 -0.965 6.879 5.200 526 HB ILE 66 HB ILE 66 0.154 5.157 2.973 527 HG12 ILE 66 1HG1 ILE 66 -0.442 3.385 4.790 528 HG13 ILE 66 2HG1 ILE 66 -1.340 4.681 5.563 529 HG21 ILE 66 1HG2 ILE 66 2.157 5.679 4.120 530 HG22 ILE 66 2HG2 ILE 66 1.637 4.151 4.832 531 HG23 ILE 66 3HG2 ILE 66 1.359 5.667 5.692 532 HD11 ILE 66 3HD1 ILE 66 -1.730 3.723 2.720 533 HD12 ILE 66 1HD1 ILE 66 -2.651 5.010 3.497 534 HD13 ILE 66 2HD1 ILE 66 -2.787 3.356 4.079 535 H ILE 67 H ILE 67 0.639 7.618 2.133 536 HA ILE 67 HA ILE 67 3.040 8.712 3.241 537 HB ILE 67 HB ILE 67 1.592 9.248 0.620 538 HG12 ILE 67 1HG1 ILE 67 4.136 7.685 1.136 539 HG13 ILE 67 2HG1 ILE 67 2.545 6.929 1.145 540 HG21 ILE 67 1HG2 ILE 67 4.278 10.189 1.641 541 HG22 ILE 67 2HG2 ILE 67 2.968 11.163 0.973 542 HG23 ILE 67 3HG2 ILE 67 3.904 10.103 -0.081 543 HD11 ILE 67 3HD1 ILE 67 3.626 8.547 -1.180 544 HD12 ILE 67 1HD1 ILE 67 2.156 7.573 -1.157 545 HD13 ILE 67 2HD1 ILE 67 3.734 6.791 -1.075 546 H ASP 68 H ASP 68 -0.025 10.229 2.261 547 HA ASP 68 HA ASP 68 0.752 12.924 2.965 548 HB2 ASP 68 1HB ASP 68 -1.928 11.581 2.511 549 HB3 ASP 68 2HB ASP 68 -1.788 13.292 2.916 550 H SER 69 H SER 69 -1.134 10.405 4.616 551 HA SER 69 HA SER 69 -1.760 11.938 6.956 552 HB2 SER 69 1HB SER 69 -3.032 9.950 6.531 553 HB3 SER 69 2HB SER 69 -1.582 8.957 6.438 554 HG SER 69 HG SER 69 -1.427 8.968 8.569 555 H HIS 70 H HIS 70 0.892 9.705 6.194 556 HA HIS 70 HA HIS 70 2.138 9.645 8.745 557 HB2 HIS 70 1HB HIS 70 2.778 8.146 6.880 558 HB3 HIS 70 2HB HIS 70 3.442 9.521 5.996 559 HD1 HIS 70 HD1 HIS 70 3.947 7.673 9.290 560 HD2 HIS 70 HD2 HIS 70 6.069 10.122 6.668 561 HE1 HIS 70 HE1 HIS 70 6.328 7.749 10.149 562 H LEU 71 H LEU 71 2.621 11.853 5.997 563 HA LEU 71 HA LEU 71 4.685 13.431 7.198 564 HB2 LEU 71 1HB LEU 71 2.623 14.095 5.069 565 HB3 LEU 71 2HB LEU 71 3.948 15.169 5.504 566 HG LEU 71 HG LEU 71 4.373 12.294 4.644 567 HD11 LEU 71 1HD1 LEU 71 3.303 13.558 2.811 568 HD12 LEU 71 2HD1 LEU 71 4.988 13.198 2.434 569 HD13 LEU 71 3HD1 LEU 71 4.531 14.816 2.964 570 HD21 LEU 71 3HD2 LEU 71 6.340 12.982 5.713 571 HD22 LEU 71 1HD2 LEU 71 6.154 14.663 5.223 572 HD23 LEU 71 2HD2 LEU 71 6.677 13.454 4.057 573 H ASP 72 H ASP 72 1.156 13.817 7.151 574 HA ASP 72 HA ASP 72 1.317 16.209 8.877 575 HB2 ASP 72 1HB ASP 72 -0.979 14.634 7.672 576 HB3 ASP 72 2HB ASP 72 -1.234 15.974 8.788 577 H ARG 73 H ARG 73 -0.668 13.264 9.152 578 HA ARG 73 HA ARG 73 -0.635 13.408 12.069 579 HB2 ARG 73 1HB ARG 73 -1.779 11.354 10.146 580 HB3 ARG 73 2HB ARG 73 -1.987 11.293 11.897 581 HG2 ARG 73 1HG ARG 73 -3.076 13.500 11.860 582 HG3 ARG 73 2HG ARG 73 -2.856 13.591 10.114 583 HD2 ARG 73 1HD ARG 73 -4.405 11.368 11.480 584 HD3 ARG 73 2HD ARG 73 -5.163 12.831 10.852 585 HE ARG 73 HE ARG 73 -3.601 11.699 8.759 586 HH11 ARG 73 1HH2 ARG 73 -6.397 11.000 10.704 587 HH12 ARG 73 2HH2 ARG 73 -7.164 10.058 9.468 588 HH21 ARG 73 1HH1 ARG 73 -4.617 10.483 7.163 589 HH22 ARG 73 2HH1 ARG 73 -6.163 9.771 7.475 590 H HIS 74 H HIS 74 0.327 11.955 13.470 591 HA HIS 74 HA HIS 74 2.927 11.039 12.885 592 HB2 HIS 74 1HB HIS 74 2.031 11.398 15.188 593 HB3 HIS 74 2HB HIS 74 1.040 9.953 15.014 594 HD1 HIS 74 HD1 HIS 74 2.148 7.750 15.546 595 HD2 HIS 74 HD2 HIS 74 4.926 10.815 15.030 596 HE1 HIS 74 HE1 HIS 74 4.409 6.778 16.153 597 H ASP 75 H ASP 75 0.647 8.599 13.982 598 HA ASP 75 HA ASP 75 0.446 6.358 13.295 599 HB2 ASP 75 1HB ASP 75 -1.078 7.673 11.776 600 HB3 ASP 75 2HB ASP 75 0.214 7.668 10.575 601 H GLN 76 H GLN 76 2.837 6.218 13.830 602 HA GLN 76 HA GLN 76 4.977 6.398 12.098 603 HB2 GLN 76 1HB GLN 76 5.828 4.228 13.282 604 HB3 GLN 76 2HB GLN 76 5.535 5.665 14.256 605 HG2 GLN 76 1HG GLN 76 3.311 4.812 14.886 606 HG3 GLN 76 2HG GLN 76 3.562 3.385 13.881 607 HE21 GLN 76 2HE2 GLN 76 6.542 3.432 14.770 608 HE22 GLN 76 1HE2 GLN 76 6.507 2.729 16.313 609 H GLY 77 H GLY 77 4.525 6.002 9.991 610 HA2 GLY 77 1HA GLY 77 3.904 3.160 9.214 611 HA3 GLY 77 2HA GLY 77 3.393 4.568 8.281 612 H LEU 78 H LEU 78 5.388 6.113 7.836 613 HA LEU 78 HA LEU 78 7.459 4.408 6.510 614 HB2 LEU 78 1HB LEU 78 6.915 7.372 6.108 615 HB3 LEU 78 2HB LEU 78 7.840 6.298 5.060 616 HG LEU 78 HG LEU 78 4.866 6.075 5.621 617 HD11 LEU 78 1HD1 LEU 78 6.380 6.913 3.128 618 HD12 LEU 78 2HD1 LEU 78 5.443 7.985 4.168 619 HD13 LEU 78 3HD1 LEU 78 4.632 6.719 3.247 620 HD21 LEU 78 3HD2 LEU 78 5.611 3.872 5.209 621 HD22 LEU 78 1HD2 LEU 78 6.826 4.400 4.045 622 HD23 LEU 78 2HD2 LEU 78 5.115 4.433 3.616 623 H ALA 79 H ALA 79 7.257 5.318 9.408 624 HA ALA 79 HA ALA 79 9.259 7.261 10.000 625 HB1 ALA 79 3HB ALA 79 7.508 6.185 11.568 626 HB2 ALA 79 1HB ALA 79 9.110 6.476 12.245 627 HB3 ALA 79 2HB ALA 79 8.650 4.851 11.735 628 H ASP 80 H ASP 80 9.455 3.730 9.612 629 HA ASP 80 HA ASP 80 12.223 3.463 10.332 630 HB2 ASP 80 1HB ASP 80 10.388 1.763 8.615 631 HB3 ASP 80 2HB ASP 80 12.048 1.302 8.983 632 H LEU 81 H LEU 81 10.571 4.142 7.284 633 HA LEU 81 HA LEU 81 13.063 4.030 5.719 634 HB2 LEU 81 1HB LEU 81 10.245 4.925 4.984 635 HB3 LEU 81 2HB LEU 81 11.576 4.757 3.845 636 HG LEU 81 HG LEU 81 10.597 2.484 5.599 637 HD11 LEU 81 1HD1 LEU 81 8.740 2.923 4.196 638 HD12 LEU 81 2HD1 LEU 81 9.628 1.660 3.346 639 HD13 LEU 81 3HD1 LEU 81 9.765 3.339 2.825 640 HD21 LEU 81 3HD2 LEU 81 12.762 1.929 4.871 641 HD22 LEU 81 1HD2 LEU 81 12.572 2.755 3.326 642 HD23 LEU 81 2HD2 LEU 81 11.765 1.217 3.612 643 H GLY 82 H GLY 82 11.634 6.266 7.750 644 HA2 GLY 82 1HA GLY 82 12.470 8.672 6.238 645 HA3 GLY 82 2HA GLY 82 11.661 8.654 7.803 Start of MODEL 20 1 H1 MET 1 1H MET 1 3.303 -2.054 -13.358 2 H2 MET 1 2H MET 1 2.980 -3.713 -13.527 3 H3 MET 1 3H MET 1 3.907 -2.901 -14.697 4 HA MET 1 HA MET 1 4.666 -3.769 -11.996 5 HB2 MET 1 1HB MET 1 5.248 -5.093 -14.032 6 HB3 MET 1 2HB MET 1 6.125 -3.698 -14.657 7 HG2 MET 1 1HG MET 1 7.641 -3.749 -12.738 8 HG3 MET 1 2HG MET 1 6.732 -5.081 -12.027 9 HE1 MET 1 3HE MET 1 9.390 -5.035 -15.729 10 HE2 MET 1 1HE MET 1 9.881 -4.305 -14.195 11 HE3 MET 1 2HE MET 1 8.444 -3.723 -15.031 12 H ASN 2 H ASN 2 4.693 -1.013 -14.049 13 HA ASN 2 HA ASN 2 7.138 0.178 -13.042 14 HB2 ASN 2 1HB ASN 2 6.340 2.215 -14.166 15 HB3 ASN 2 2HB ASN 2 6.158 0.816 -15.222 16 HD21 ASN 2 2HD2 ASN 2 4.157 0.755 -16.237 17 HD22 ASN 2 1HD2 ASN 2 2.715 1.381 -15.598 18 H VAL 3 H VAL 3 7.393 1.605 -11.346 19 HA VAL 3 HA VAL 3 5.210 1.695 -9.362 20 HB VAL 3 HB VAL 3 6.923 2.700 -7.889 21 HG11 VAL 3 1HG1 VAL 3 8.088 0.346 -9.395 22 HG12 VAL 3 2HG1 VAL 3 6.719 0.198 -8.295 23 HG13 VAL 3 3HG1 VAL 3 8.284 0.735 -7.686 24 HG21 VAL 3 3HG2 VAL 3 9.305 2.717 -8.866 25 HG22 VAL 3 1HG2 VAL 3 8.237 4.022 -9.378 26 HG23 VAL 3 2HG2 VAL 3 8.536 2.655 -10.451 27 H ALA 4 H ALA 4 4.466 3.701 -8.432 28 HA ALA 4 HA ALA 4 4.608 6.011 -10.343 29 HB1 ALA 4 3HB ALA 4 2.356 5.074 -10.076 30 HB2 ALA 4 1HB ALA 4 2.433 6.682 -9.353 31 HB3 ALA 4 2HB ALA 4 2.475 5.249 -8.324 32 H HIS 5 H HIS 5 5.417 7.908 -9.600 33 HA HIS 5 HA HIS 5 6.533 8.005 -6.891 34 HB2 HIS 5 1HB HIS 5 6.570 9.958 -9.196 35 HB3 HIS 5 2HB HIS 5 7.397 10.230 -7.661 36 HD1 HIS 5 HD1 HIS 5 9.260 10.091 -9.955 37 HD2 HIS 5 HD2 HIS 5 7.966 6.616 -8.043 38 HE1 HIS 5 HE1 HIS 5 10.969 8.299 -10.482 39 H TYR 6 H TYR 6 5.711 9.122 -5.187 40 HA TYR 6 HA TYR 6 3.541 11.098 -5.659 41 HB2 TYR 6 1HB TYR 6 2.426 8.915 -5.301 42 HB3 TYR 6 2HB TYR 6 3.282 8.737 -3.769 43 HD1 TYR 6 HD1 TYR 6 1.116 11.178 -5.611 44 HD2 TYR 6 HD2 TYR 6 2.264 9.535 -1.812 45 HE1 TYR 6 HE1 TYR 6 -0.630 12.539 -4.495 46 HE2 TYR 6 HE2 TYR 6 0.517 10.893 -0.696 47 HH TYR 6 HH TYR 6 -0.746 12.962 -1.121 48 H ARG 7 H ARG 7 4.179 12.872 -4.599 49 HA ARG 7 HA ARG 7 5.213 14.260 -3.034 50 HB2 ARG 7 1HB ARG 7 4.391 11.982 -1.208 51 HB3 ARG 7 2HB ARG 7 4.921 13.574 -0.658 52 HG2 ARG 7 1HG ARG 7 3.075 14.634 -1.893 53 HG3 ARG 7 2HG ARG 7 2.551 13.056 -2.479 54 HD2 ARG 7 1HD ARG 7 1.168 13.652 -0.580 55 HD3 ARG 7 2HD ARG 7 2.242 12.344 -0.091 56 HE ARG 7 HE ARG 7 3.403 13.863 1.329 57 HH11 ARG 7 1HH2 ARG 7 1.112 15.429 -0.738 58 HH12 ARG 7 2HH2 ARG 7 1.174 16.931 0.121 59 HH21 ARG 7 1HH1 ARG 7 3.487 15.820 2.450 60 HH22 ARG 7 2HH1 ARG 7 2.515 17.152 1.921 61 H GLY 8 H GLY 8 6.852 12.253 -4.466 62 HA2 GLY 8 1HA GLY 8 9.229 12.037 -4.454 63 HA3 GLY 8 2HA GLY 8 9.244 12.470 -2.746 64 H TYR 9 H TYR 9 6.855 10.267 -2.920 65 HA TYR 9 HA TYR 9 8.708 8.020 -2.220 66 HB2 TYR 9 1HB TYR 9 5.812 8.547 -1.498 67 HB3 TYR 9 2HB TYR 9 6.699 7.086 -1.055 68 HD1 TYR 9 HD1 TYR 9 6.461 10.746 -0.561 69 HD2 TYR 9 HD2 TYR 9 8.423 7.119 0.640 70 HE1 TYR 9 HE1 TYR 9 7.442 11.923 1.388 71 HE2 TYR 9 HE2 TYR 9 9.402 8.295 2.591 72 HH TYR 9 HH TYR 9 8.396 10.800 3.920 73 H GLU 10 H GLU 10 8.683 6.174 -3.419 74 HA GLU 10 HA GLU 10 6.899 6.075 -5.786 75 HB2 GLU 10 1HB GLU 10 8.391 4.112 -6.389 76 HB3 GLU 10 2HB GLU 10 9.204 5.674 -6.304 77 HG2 GLU 10 1HG GLU 10 10.083 5.189 -4.127 78 HG3 GLU 10 2HG GLU 10 9.085 3.744 -3.985 79 H ILE 11 H ILE 11 5.455 4.398 -6.140 80 HA ILE 11 HA ILE 11 4.938 2.576 -3.806 81 HB ILE 11 HB ILE 11 2.942 3.760 -5.763 82 HG12 ILE 11 1HG1 ILE 11 3.276 4.329 -2.807 83 HG13 ILE 11 2HG1 ILE 11 3.991 5.341 -4.060 84 HG21 ILE 11 1HG2 ILE 11 2.657 1.993 -3.314 85 HG22 ILE 11 2HG2 ILE 11 2.233 1.575 -4.972 86 HG23 ILE 11 3HG2 ILE 11 1.304 2.798 -4.108 87 HD11 ILE 11 3HD1 ILE 11 1.866 5.958 -4.925 88 HD12 ILE 11 1HD1 ILE 11 1.696 6.068 -3.173 89 HD13 ILE 11 2HD1 ILE 11 1.046 4.674 -4.037 90 H GLU 12 H GLU 12 4.757 0.437 -4.256 91 HA GLU 12 HA GLU 12 4.795 -0.425 -7.134 92 HB2 GLU 12 1HB GLU 12 6.940 -0.779 -5.803 93 HB3 GLU 12 2HB GLU 12 6.028 -1.928 -4.823 94 HG2 GLU 12 1HG GLU 12 5.373 -3.044 -7.053 95 HG3 GLU 12 2HG GLU 12 6.666 -2.082 -7.770 96 HA PRO 13 HA PRO 13 0.935 -2.059 -5.127 97 HB2 PRO 13 1HB PRO 13 0.084 -2.007 -7.990 98 HB3 PRO 13 2HB PRO 13 -0.759 -1.389 -6.555 99 HG2 PRO 13 1HG PRO 13 0.376 0.273 -8.281 100 HG3 PRO 13 2HG PRO 13 0.467 0.579 -6.536 101 HD2 PRO 13 1HD PRO 13 2.579 -0.563 -8.351 102 HD3 PRO 13 2HD PRO 13 2.741 0.641 -7.053 103 H GLY 14 H GLY 14 0.093 -4.159 -5.179 104 HA2 GLY 14 1HA GLY 14 0.625 -6.101 -7.223 105 HA3 GLY 14 2HA GLY 14 1.783 -6.292 -5.904 106 H HIS 15 H HIS 15 -0.712 -5.086 -4.296 107 HA HIS 15 HA HIS 15 -2.301 -5.962 -2.861 108 HB2 HIS 15 1HB HIS 15 -4.046 -7.132 -3.868 109 HB3 HIS 15 2HB HIS 15 -3.276 -6.396 -5.269 110 HD1 HIS 15 HD1 HIS 15 -2.526 -7.978 -7.079 111 HD2 HIS 15 HD2 HIS 15 -3.118 -9.939 -3.448 112 HE1 HIS 15 HE1 HIS 15 -2.176 -10.447 -7.529 113 H GLN 16 H GLN 16 -2.710 -7.710 -1.395 114 HA GLN 16 HA GLN 16 -1.391 -10.250 -1.645 115 HB2 GLN 16 1HB GLN 16 0.553 -8.677 -1.135 116 HB3 GLN 16 2HB GLN 16 -0.185 -8.425 0.447 117 HG2 GLN 16 1HG GLN 16 1.458 -10.192 0.664 118 HG3 GLN 16 2HG GLN 16 -0.141 -10.922 0.784 119 HE21 GLN 16 2HE2 GLN 16 0.140 -12.959 -0.207 120 HE22 GLN 16 1HE2 GLN 16 0.769 -13.177 -1.768 121 H TYR 17 H TYR 17 -1.924 -11.646 0.130 122 HA TYR 17 HA TYR 17 -4.244 -10.655 1.710 123 HB2 TYR 17 1HB TYR 17 -4.802 -13.001 2.006 124 HB3 TYR 17 2HB TYR 17 -4.489 -12.707 0.297 125 HD1 TYR 17 HD2 TYR 17 -2.446 -13.542 -0.780 126 HD2 TYR 17 HD1 TYR 17 -3.241 -14.284 3.376 127 HE1 TYR 17 HE2 TYR 17 -0.680 -15.284 -0.753 128 HE2 TYR 17 HE1 TYR 17 -1.478 -16.027 3.402 129 HH TYR 17 HH TYR 17 -0.224 -17.392 2.006 130 H ARG 18 H ARG 18 -4.207 -10.568 3.901 131 HA ARG 18 HA ARG 18 -1.577 -10.978 5.213 132 HB2 ARG 18 1HB ARG 18 -4.158 -9.696 6.150 133 HB3 ARG 18 2HB ARG 18 -2.711 -9.839 7.149 134 HG2 ARG 18 1HG ARG 18 -1.424 -8.531 5.535 135 HG3 ARG 18 2HG ARG 18 -2.812 -8.455 4.451 136 HD2 ARG 18 1HD ARG 18 -2.641 -6.370 5.729 137 HD3 ARG 18 2HD ARG 18 -4.091 -7.249 6.206 138 HE ARG 18 HE ARG 18 -3.100 -7.678 8.330 139 HH11 ARG 18 1HH2 ARG 18 -0.903 -6.220 6.088 140 HH12 ARG 18 2HH2 ARG 18 0.285 -5.861 7.294 141 HH21 ARG 18 1HH1 ARG 18 -1.554 -7.214 9.901 142 HH22 ARG 18 2HH1 ARG 18 -0.081 -6.424 9.446 143 H ASP 19 H ASP 19 -1.195 -12.580 6.677 144 HA ASP 19 HA ASP 19 -2.986 -14.836 6.815 145 HB2 ASP 19 1HB ASP 19 -0.492 -14.096 8.372 146 HB3 ASP 19 2HB ASP 19 -1.335 -15.631 8.570 147 H ASP 20 H ASP 20 -2.665 -11.929 8.644 148 HA ASP 20 HA ASP 20 -3.689 -12.791 11.165 149 HB2 ASP 20 1HB ASP 20 -3.788 -10.129 9.728 150 HB3 ASP 20 2HB ASP 20 -4.390 -10.351 11.372 151 H ILE 21 H ILE 21 -5.327 -11.528 8.272 152 HA ILE 21 HA ILE 21 -7.955 -12.359 9.448 153 HB ILE 21 HB ILE 21 -8.881 -10.833 7.618 154 HG12 ILE 21 1HG1 ILE 21 -6.014 -9.839 7.569 155 HG13 ILE 21 2HG1 ILE 21 -6.721 -10.839 6.298 156 HG21 ILE 21 1HG2 ILE 21 -8.491 -8.822 8.945 157 HG22 ILE 21 2HG2 ILE 21 -7.056 -9.544 9.675 158 HG23 ILE 21 3HG2 ILE 21 -8.653 -10.201 10.034 159 HD11 ILE 21 3HD1 ILE 21 -7.665 -8.095 7.179 160 HD12 ILE 21 1HD1 ILE 21 -8.516 -9.112 6.015 161 HD13 ILE 21 2HD1 ILE 21 -6.903 -8.503 5.642 162 H ARG 22 H ARG 22 -5.613 -13.528 7.492 163 HA ARG 22 HA ARG 22 -5.565 -14.976 5.631 164 HB2 ARG 22 1HB ARG 22 -8.038 -15.862 7.146 165 HB3 ARG 22 2HB ARG 22 -7.339 -16.779 5.812 166 HG2 ARG 22 1HG ARG 22 -5.203 -16.942 7.025 167 HG3 ARG 22 2HG ARG 22 -5.880 -16.004 8.357 168 HD2 ARG 22 1HD ARG 22 -7.579 -17.756 8.734 169 HD3 ARG 22 2HD ARG 22 -6.912 -18.694 7.397 170 HE ARG 22 HE ARG 22 -4.900 -18.054 9.392 171 HH11 ARG 22 1HH2 ARG 22 -7.516 -20.132 8.525 172 HH12 ARG 22 2HH2 ARG 22 -6.937 -21.468 9.463 173 HH21 ARG 22 1HH1 ARG 22 -4.133 -19.790 10.621 174 HH22 ARG 22 2HH1 ARG 22 -5.024 -21.274 10.648 175 H LYS 23 H LYS 23 -6.661 -12.475 4.935 176 HA LYS 23 HA LYS 23 -8.612 -13.312 2.839 177 HB2 LYS 23 1HB LYS 23 -9.592 -12.115 5.011 178 HB3 LYS 23 2HB LYS 23 -8.998 -10.660 4.217 179 HG2 LYS 23 1HG LYS 23 -11.155 -10.786 3.345 180 HG3 LYS 23 2HG LYS 23 -10.250 -11.655 2.107 181 HD2 LYS 23 1HD LYS 23 -10.805 -13.802 3.326 182 HD3 LYS 23 2HD LYS 23 -11.857 -12.859 4.378 183 HE2 LYS 23 1HE LYS 23 -12.102 -13.013 1.360 184 HE3 LYS 23 2HE LYS 23 -13.117 -13.888 2.508 185 HZ1 LYS 23 3HZ LYS 23 -14.366 -12.098 2.776 186 HZ2 LYS 23 1HZ LYS 23 -13.474 -11.306 1.570 187 HZ3 LYS 23 2HZ LYS 23 -13.017 -11.155 3.199 188 H TYR 24 H TYR 24 -8.776 -11.660 1.099 189 HA TYR 24 HA TYR 24 -6.103 -10.673 0.409 190 HB2 TYR 24 1HB TYR 24 -8.747 -10.800 -1.043 191 HB3 TYR 24 2HB TYR 24 -7.335 -10.000 -1.733 192 HD1 TYR 24 HD1 TYR 24 -8.687 -13.243 -0.544 193 HD2 TYR 24 HD2 TYR 24 -5.459 -11.242 -2.547 194 HE1 TYR 24 HE1 TYR 24 -7.782 -15.434 -1.276 195 HE2 TYR 24 HE2 TYR 24 -4.554 -13.429 -3.281 196 HH TYR 24 HH TYR 24 -6.169 -16.479 -2.377 197 H VAL 25 H VAL 25 -5.456 -8.583 0.626 198 HA VAL 25 HA VAL 25 -7.466 -6.430 0.645 199 HB VAL 25 HB VAL 25 -6.182 -5.528 2.792 200 HG11 VAL 25 1HG1 VAL 25 -7.902 -6.517 4.209 201 HG12 VAL 25 2HG1 VAL 25 -8.206 -7.776 3.012 202 HG13 VAL 25 3HG1 VAL 25 -8.605 -6.098 2.648 203 HG21 VAL 25 3HG2 VAL 25 -5.925 -8.530 3.120 204 HG22 VAL 25 1HG2 VAL 25 -5.435 -7.289 4.273 205 HG23 VAL 25 2HG2 VAL 25 -4.575 -7.459 2.744 206 HA PRO 26 HA PRO 26 -4.484 -4.045 -1.587 207 HB2 PRO 26 1HB PRO 26 -4.590 -2.046 0.651 208 HB3 PRO 26 2HB PRO 26 -4.772 -1.792 -1.094 209 HG2 PRO 26 1HG PRO 26 -6.870 -1.828 0.616 210 HG3 PRO 26 2HG PRO 26 -6.991 -2.336 -1.076 211 HD2 PRO 26 1HD PRO 26 -7.124 -3.994 1.358 212 HD3 PRO 26 2HD PRO 26 -7.622 -4.383 -0.302 213 H TYR 27 H TYR 27 -2.276 -4.118 -1.670 214 HA TYR 27 HA TYR 27 -0.642 -3.843 0.763 215 HB2 TYR 27 1HB TYR 27 -1.172 -6.246 0.776 216 HB3 TYR 27 2HB TYR 27 -0.633 -6.380 -0.895 217 HD1 TYR 27 HD2 TYR 27 1.752 -6.103 -1.482 218 HD2 TYR 27 HD1 TYR 27 0.410 -6.069 2.599 219 HE1 TYR 27 HE2 TYR 27 4.085 -6.444 -0.713 220 HE2 TYR 27 HE1 TYR 27 2.744 -6.408 3.368 221 HH TYR 27 HH TYR 27 5.145 -7.509 1.517 222 H ALA 28 H ALA 28 0.836 -2.382 0.072 223 HA ALA 28 HA ALA 28 2.185 -2.878 -2.559 224 HB1 ALA 28 3HB ALA 28 1.155 -0.193 -1.598 225 HB2 ALA 28 1HB ALA 28 0.466 -1.144 -2.912 226 HB3 ALA 28 2HB ALA 28 2.088 -0.473 -3.067 227 H LEU 29 H LEU 29 4.334 -2.060 -2.668 228 HA LEU 29 HA LEU 29 5.580 -1.689 0.020 229 HB2 LEU 29 1HB LEU 29 6.888 -2.180 -2.673 230 HB3 LEU 29 2HB LEU 29 7.670 -2.258 -1.094 231 HG LEU 29 HG LEU 29 5.398 -4.044 -2.018 232 HD11 LEU 29 1HD1 LEU 29 7.660 -4.414 -3.096 233 HD12 LEU 29 2HD1 LEU 29 7.035 -5.793 -2.191 234 HD13 LEU 29 3HD1 LEU 29 8.288 -4.772 -1.487 235 HD21 LEU 29 3HD2 LEU 29 6.898 -3.741 0.584 236 HD22 LEU 29 1HD2 LEU 29 6.248 -5.315 0.124 237 HD23 LEU 29 2HD2 LEU 29 5.165 -3.941 0.315 238 H ILE 30 H ILE 30 6.324 0.275 0.620 239 HA ILE 30 HA ILE 30 6.486 2.438 -1.459 240 HB ILE 30 HB ILE 30 5.831 2.607 1.496 241 HG12 ILE 30 1HG1 ILE 30 4.136 3.246 -0.936 242 HG13 ILE 30 2HG1 ILE 30 4.062 1.710 -0.076 243 HG21 ILE 30 1HG2 ILE 30 7.034 4.587 0.929 244 HG22 ILE 30 2HG2 ILE 30 5.331 5.031 0.827 245 HG23 ILE 30 3HG2 ILE 30 6.246 4.705 -0.644 246 HD11 ILE 30 3HD1 ILE 30 2.340 3.474 0.614 247 HD12 ILE 30 1HD1 ILE 30 3.685 4.359 1.332 248 HD13 ILE 30 2HD1 ILE 30 3.278 2.748 1.918 249 H ARG 31 H ARG 31 8.414 3.423 -1.713 250 HA ARG 31 HA ARG 31 10.473 3.173 0.453 251 HB2 ARG 31 1HB ARG 31 10.834 2.649 -2.507 252 HB3 ARG 31 2HB ARG 31 12.180 2.899 -1.395 253 HG2 ARG 31 1HG ARG 31 11.406 0.995 -0.029 254 HG3 ARG 31 2HG ARG 31 10.062 0.743 -1.142 255 HD2 ARG 31 1HD ARG 31 11.660 0.333 -2.982 256 HD3 ARG 31 2HD ARG 31 13.003 0.578 -1.865 257 HE ARG 31 HE ARG 31 11.184 -1.473 -0.922 258 HH11 ARG 31 1HH2 ARG 31 13.774 -0.729 -3.083 259 HH12 ARG 31 2HH2 ARG 31 14.365 -2.356 -3.138 260 HH21 ARG 31 1HH1 ARG 31 11.946 -3.597 -0.986 261 HH22 ARG 31 2HH1 ARG 31 13.331 -3.977 -1.953 262 H LYS 32 H LYS 32 11.821 4.983 0.657 263 HA LYS 32 HA LYS 32 10.752 7.450 -0.513 264 HB2 LYS 32 1HB LYS 32 11.492 7.318 1.862 265 HB3 LYS 32 2HB LYS 32 13.144 7.042 1.307 266 HG2 LYS 32 1HG LYS 32 13.166 9.204 0.176 267 HG3 LYS 32 2HG LYS 32 11.479 9.477 0.612 268 HD2 LYS 32 1HD LYS 32 12.088 9.402 3.006 269 HD3 LYS 32 2HD LYS 32 13.777 9.152 2.563 270 HE2 LYS 32 1HE LYS 32 13.817 11.311 1.403 271 HE3 LYS 32 2HE LYS 32 12.112 11.560 1.774 272 HZ1 LYS 32 3HZ LYS 32 12.553 11.801 4.024 273 HZ2 LYS 32 1HZ LYS 32 13.841 12.629 3.295 274 HZ3 LYS 32 2HZ LYS 32 14.081 11.066 3.916 275 H VAL 33 H VAL 33 11.538 8.431 -2.284 276 HA VAL 33 HA VAL 33 13.706 7.249 -3.806 277 HB VAL 33 HB VAL 33 12.122 9.806 -4.173 278 HG11 VAL 33 1HG1 VAL 33 14.188 10.134 -5.332 279 HG12 VAL 33 2HG1 VAL 33 13.033 9.600 -6.553 280 HG13 VAL 33 3HG1 VAL 33 14.213 8.465 -5.901 281 HG21 VAL 33 3HG2 VAL 33 11.987 7.050 -5.430 282 HG22 VAL 33 1HG2 VAL 33 11.069 8.444 -6.001 283 HG23 VAL 33 2HG2 VAL 33 10.775 7.794 -4.388 284 H GLY 34 H GLY 34 15.810 7.852 -3.870 285 HA2 GLY 34 1HA GLY 34 17.487 9.688 -3.820 286 HA3 GLY 34 2HA GLY 34 16.636 10.352 -2.427 287 H VAL 35 H VAL 35 16.242 8.190 -0.806 288 HA VAL 35 HA VAL 35 19.035 7.465 -0.105 289 HB VAL 35 HB VAL 35 17.951 6.767 2.090 290 HG11 VAL 35 1HG1 VAL 35 17.739 9.628 1.105 291 HG12 VAL 35 2HG1 VAL 35 19.140 8.877 1.870 292 HG13 VAL 35 3HG1 VAL 35 17.670 9.155 2.803 293 HG21 VAL 35 3HG2 VAL 35 15.614 8.306 0.906 294 HG22 VAL 35 1HG2 VAL 35 15.706 7.620 2.528 295 HG23 VAL 35 2HG2 VAL 35 15.645 6.556 1.124 296 HA PRO 36 HA PRO 36 18.787 3.179 -1.280 297 HB2 PRO 36 1HB PRO 36 19.509 2.576 1.575 298 HB3 PRO 36 2HB PRO 36 20.225 1.948 0.076 299 HG2 PRO 36 1HG PRO 36 21.441 3.833 1.497 300 HG3 PRO 36 2HG PRO 36 21.481 3.848 -0.276 301 HD2 PRO 36 1HD PRO 36 19.951 5.615 1.582 302 HD3 PRO 36 2HD PRO 36 20.579 5.940 -0.047 303 H ASP 37 H ASP 37 18.001 0.975 -0.039 304 HA ASP 37 HA ASP 37 15.159 1.516 0.695 305 HB2 ASP 37 1HB ASP 37 14.821 -0.896 0.210 306 HB3 ASP 37 2HB ASP 37 15.525 -0.043 -1.163 307 H ARG 38 H ARG 38 14.941 1.775 2.870 308 HA ARG 38 HA ARG 38 16.574 0.104 4.722 309 HB2 ARG 38 1HB ARG 38 14.818 2.530 5.175 310 HB3 ARG 38 2HB ARG 38 15.623 1.646 6.472 311 HG2 ARG 38 1HG ARG 38 17.798 2.032 5.257 312 HG3 ARG 38 2HG ARG 38 16.928 3.101 4.159 313 HD2 ARG 38 1HD ARG 38 17.059 3.428 7.170 314 HD3 ARG 38 2HD ARG 38 18.014 4.354 6.012 315 HE ARG 38 HE ARG 38 15.147 4.695 6.557 316 HH11 ARG 38 1HH2 ARG 38 17.834 5.222 4.453 317 HH12 ARG 38 2HH2 ARG 38 17.111 6.583 3.666 318 HH21 ARG 38 1HH1 ARG 38 14.203 6.469 5.542 319 HH22 ARG 38 2HH1 ARG 38 15.056 7.287 4.277 320 H THR 39 H THR 39 15.062 -0.193 6.898 321 HA THR 39 HA THR 39 13.531 -2.424 6.606 322 HB THR 39 HB THR 39 12.810 -0.170 8.487 323 HG1 THR 39 HG1 THR 39 14.216 -1.903 9.741 324 HG21 THR 39 3HG2 THR 39 12.237 -3.133 8.419 325 HG22 THR 39 1HG2 THR 39 11.096 -1.799 8.597 326 HG23 THR 39 2HG2 THR 39 12.183 -2.213 9.922 327 HA PRO 40 HA PRO 40 10.252 -0.527 4.037 328 HB2 PRO 40 1HB PRO 40 9.299 -2.814 2.904 329 HB3 PRO 40 2HB PRO 40 10.801 -2.033 2.370 330 HG2 PRO 40 1HG PRO 40 10.429 -4.416 4.124 331 HG3 PRO 40 2HG PRO 40 11.646 -4.116 2.869 332 HD2 PRO 40 1HD PRO 40 12.108 -3.822 5.582 333 HD3 PRO 40 2HD PRO 40 13.044 -2.987 4.322 334 H ILE 41 H ILE 41 8.042 -0.277 4.286 335 HA ILE 41 HA ILE 41 6.633 -2.038 6.250 336 HB ILE 41 HB ILE 41 6.637 0.994 6.198 337 HG12 ILE 41 1HG1 ILE 41 7.240 0.317 8.755 338 HG13 ILE 41 2HG1 ILE 41 7.900 -1.098 7.947 339 HG21 ILE 41 1HG2 ILE 41 4.872 -1.029 7.576 340 HG22 ILE 41 2HG2 ILE 41 4.409 0.423 6.689 341 HG23 ILE 41 3HG2 ILE 41 5.142 0.561 8.284 342 HD11 ILE 41 3HD1 ILE 41 9.715 0.390 7.984 343 HD12 ILE 41 1HD1 ILE 41 8.697 1.789 7.645 344 HD13 ILE 41 2HD1 ILE 41 9.053 0.628 6.367 345 HA PRO 42 HA PRO 42 4.263 -1.762 2.279 346 HB2 PRO 42 1HB PRO 42 2.913 -4.062 3.651 347 HB3 PRO 42 2HB PRO 42 3.488 -3.927 1.977 348 HG2 PRO 42 1HG PRO 42 4.816 -5.371 3.782 349 HG3 PRO 42 2HG PRO 42 5.672 -4.424 2.551 350 HD2 PRO 42 1HD PRO 42 5.309 -3.832 5.465 351 HD3 PRO 42 2HD PRO 42 6.697 -3.486 4.408 352 H THR 43 H THR 43 2.223 -0.858 1.936 353 HA THR 43 HA THR 43 0.751 0.002 4.382 354 HB THR 43 HB THR 43 1.382 1.813 2.893 355 HG1 THR 43 HG1 THR 43 -1.135 1.892 2.060 356 HG21 THR 43 3HG2 THR 43 1.635 0.454 0.836 357 HG22 THR 43 1HG2 THR 43 0.633 1.876 0.556 358 HG23 THR 43 2HG2 THR 43 -0.117 0.295 0.737 359 H THR 44 H THR 44 -1.291 -0.679 4.771 360 HA THR 44 HA THR 44 -2.746 -2.217 2.663 361 HB THR 44 HB THR 44 -3.335 -3.934 4.295 362 HG1 THR 44 HG1 THR 44 -3.056 -2.296 6.069 363 HG21 THR 44 3HG2 THR 44 -1.102 -3.975 3.011 364 HG22 THR 44 1HG2 THR 44 -1.249 -5.048 4.397 365 HG23 THR 44 2HG2 THR 44 -0.354 -3.537 4.544 366 H TYR 45 H TYR 45 -5.058 -2.300 3.063 367 HA TYR 45 HA TYR 45 -6.075 -0.388 5.107 368 HB2 TYR 45 1HB TYR 45 -5.778 0.448 2.546 369 HB3 TYR 45 2HB TYR 45 -7.378 -0.280 2.414 370 HD1 TYR 45 HD1 TYR 45 -5.382 2.013 4.599 371 HD2 TYR 45 HD2 TYR 45 -9.254 0.962 3.096 372 HE1 TYR 45 HE1 TYR 45 -6.352 3.998 5.722 373 HE2 TYR 45 HE2 TYR 45 -10.234 2.944 4.215 374 HH TYR 45 HH TYR 45 -9.756 4.876 5.276 375 HA PRO 46 HA PRO 46 -8.354 -4.365 5.473 376 HB2 PRO 46 1HB PRO 46 -9.709 -2.740 7.598 377 HB3 PRO 46 2HB PRO 46 -9.070 -4.394 7.681 378 HG2 PRO 46 1HG PRO 46 -7.774 -2.336 8.795 379 HG3 PRO 46 2HG PRO 46 -6.906 -3.683 8.035 380 HD2 PRO 46 1HD PRO 46 -7.304 -0.897 7.031 381 HD3 PRO 46 2HD PRO 46 -5.955 -2.019 6.746 382 H GLU 47 H GLU 47 -9.725 -4.497 3.742 383 HA GLU 47 HA GLU 47 -12.363 -3.206 3.966 384 HB2 GLU 47 1HB GLU 47 -10.453 -2.722 1.673 385 HB3 GLU 47 2HB GLU 47 -12.197 -2.534 1.485 386 HG2 GLU 47 1HG GLU 47 -12.188 -0.922 3.392 387 HG3 GLU 47 2HG GLU 47 -10.432 -1.062 3.462 388 H PHE 48 H PHE 48 -10.290 -5.680 3.031 389 HA PHE 48 HA PHE 48 -10.618 -7.784 2.061 390 HB2 PHE 48 1HB PHE 48 -13.558 -7.507 2.643 391 HB3 PHE 48 2HB PHE 48 -12.517 -8.919 2.820 392 HD1 PHE 48 HD2 PHE 48 -10.234 -7.909 4.340 393 HD2 PHE 48 HD1 PHE 48 -14.413 -7.009 4.772 394 HE1 PHE 48 HE2 PHE 48 -9.864 -7.327 6.718 395 HE2 PHE 48 HE1 PHE 48 -14.040 -6.429 7.154 396 HZ PHE 48 HZ PHE 48 -11.765 -6.588 8.126 397 H TYR 49 H TYR 49 -10.351 -7.789 -0.105 398 HA TYR 49 HA TYR 49 -12.707 -7.081 -1.818 399 HB2 TYR 49 1HB TYR 49 -9.836 -6.191 -2.062 400 HB3 TYR 49 2HB TYR 49 -10.825 -6.361 -3.513 401 HD1 TYR 49 HD2 TYR 49 -13.229 -5.285 -3.365 402 HD2 TYR 49 HD1 TYR 49 -9.896 -4.141 -0.910 403 HE1 TYR 49 HE2 TYR 49 -14.312 -3.101 -2.916 404 HE2 TYR 49 HE1 TYR 49 -10.982 -1.959 -0.467 405 HH TYR 49 HH TYR 49 -13.374 -1.062 -0.455 406 H ASP 50 H ASP 50 -13.195 -8.618 -3.277 407 HA ASP 50 HA ASP 50 -11.551 -11.064 -3.370 408 HB2 ASP 50 1HB ASP 50 -14.231 -10.320 -4.576 409 HB3 ASP 50 2HB ASP 50 -13.451 -11.881 -4.831 410 H LEU 51 H LEU 51 -12.157 -8.227 -5.266 411 HA LEU 51 HA LEU 51 -11.103 -9.443 -7.746 412 HB2 LEU 51 1HB LEU 51 -11.963 -6.596 -7.154 413 HB3 LEU 51 2HB LEU 51 -11.602 -7.258 -8.749 414 HG LEU 51 HG LEU 51 -13.798 -8.250 -6.902 415 HD11 LEU 51 1HD1 LEU 51 -14.481 -6.125 -7.730 416 HD12 LEU 51 2HD1 LEU 51 -15.249 -7.303 -8.792 417 HD13 LEU 51 3HD1 LEU 51 -13.805 -6.445 -9.327 418 HD21 LEU 51 3HD2 LEU 51 -13.269 -10.116 -8.206 419 HD22 LEU 51 1HD2 LEU 51 -12.746 -9.143 -9.582 420 HD23 LEU 51 2HD2 LEU 51 -14.464 -9.329 -9.230 421 H GLU 52 H GLU 52 -9.070 -9.221 -8.458 422 HA GLU 52 HA GLU 52 -6.994 -8.185 -6.756 423 HB2 GLU 52 1HB GLU 52 -6.657 -10.015 -8.415 424 HB3 GLU 52 2HB GLU 52 -6.896 -8.850 -9.718 425 HG2 GLU 52 1HG GLU 52 -4.957 -7.551 -8.920 426 HG3 GLU 52 2HG GLU 52 -4.722 -8.706 -7.608 427 H ALA 53 H ALA 53 -8.686 -6.947 -9.606 428 HA ALA 53 HA ALA 53 -7.063 -4.668 -10.091 429 HB1 ALA 53 3HB ALA 53 -8.833 -5.502 -11.629 430 HB2 ALA 53 1HB ALA 53 -9.009 -3.780 -11.290 431 HB3 ALA 53 2HB ALA 53 -10.058 -4.949 -10.488 432 H ASP 54 H ASP 54 -9.841 -5.131 -7.925 433 HA ASP 54 HA ASP 54 -10.099 -2.412 -7.100 434 HB2 ASP 54 1HB ASP 54 -10.760 -5.028 -5.727 435 HB3 ASP 54 2HB ASP 54 -11.148 -3.457 -5.025 436 H ALA 55 H ALA 55 -8.192 -5.106 -5.768 437 HA ALA 55 HA ALA 55 -7.163 -3.686 -3.513 438 HB1 ALA 55 3HB ALA 55 -7.087 -6.210 -3.997 439 HB2 ALA 55 1HB ALA 55 -5.643 -5.500 -3.275 440 HB3 ALA 55 2HB ALA 55 -5.681 -5.859 -5.002 441 H GLU 56 H GLU 56 -5.946 -4.055 -6.830 442 HA GLU 56 HA GLU 56 -3.456 -2.698 -6.388 443 HB2 GLU 56 1HB GLU 56 -5.116 -3.065 -8.900 444 HB3 GLU 56 2HB GLU 56 -3.468 -2.434 -8.883 445 HG2 GLU 56 1HG GLU 56 -4.258 -5.135 -7.752 446 HG3 GLU 56 2HG GLU 56 -3.595 -4.898 -9.368 447 H ARG 57 H ARG 57 -6.567 -1.551 -7.730 448 HA ARG 57 HA ARG 57 -5.726 1.172 -8.051 449 HB2 ARG 57 1HB ARG 57 -7.713 0.161 -9.174 450 HB3 ARG 57 2HB ARG 57 -8.531 0.104 -7.612 451 HG2 ARG 57 1HG ARG 57 -8.337 2.553 -7.411 452 HG3 ARG 57 2HG ARG 57 -7.505 2.616 -8.965 453 HD2 ARG 57 1HD ARG 57 -9.851 3.150 -9.323 454 HD3 ARG 57 2HD ARG 57 -9.520 1.567 -10.026 455 HE ARG 57 HE ARG 57 -10.412 1.231 -7.327 456 HH11 ARG 57 1HH2 ARG 57 -11.464 2.159 -10.484 457 HH12 ARG 57 2HH2 ARG 57 -13.097 1.635 -10.234 458 HH21 ARG 57 1HH1 ARG 57 -12.538 0.545 -6.991 459 HH22 ARG 57 2HH1 ARG 57 -13.703 0.722 -8.260 460 H VAL 58 H VAL 58 -7.455 -0.507 -5.439 461 HA VAL 58 HA VAL 58 -7.840 1.802 -3.787 462 HB VAL 58 HB VAL 58 -7.672 -1.151 -3.121 463 HG11 VAL 58 1HG1 VAL 58 -8.350 1.243 -1.400 464 HG12 VAL 58 2HG1 VAL 58 -7.150 -0.010 -1.086 465 HG13 VAL 58 3HG1 VAL 58 -8.870 -0.392 -0.994 466 HG21 VAL 58 3HG2 VAL 58 -10.039 -1.124 -3.209 467 HG22 VAL 58 1HG2 VAL 58 -9.560 -0.145 -4.595 468 HG23 VAL 58 2HG2 VAL 58 -10.111 0.635 -3.113 469 H SER 59 H SER 59 -5.258 -0.643 -3.924 470 HA SER 59 HA SER 59 -3.775 0.229 -1.678 471 HB2 SER 59 1HB SER 59 -1.846 -0.851 -2.796 472 HB3 SER 59 2HB SER 59 -3.285 -1.858 -2.886 473 HG SER 59 HG SER 59 -2.078 -1.557 -4.897 474 H ILE 60 H ILE 60 -3.656 1.346 -5.065 475 HA ILE 60 HA ILE 60 -1.478 3.171 -4.686 476 HB ILE 60 HB ILE 60 -3.773 3.173 -6.671 477 HG12 ILE 60 1HG1 ILE 60 -0.859 2.441 -7.058 478 HG13 ILE 60 2HG1 ILE 60 -2.101 1.253 -6.660 479 HG21 ILE 60 1HG2 ILE 60 -2.134 4.663 -7.979 480 HG22 ILE 60 2HG2 ILE 60 -1.309 4.908 -6.441 481 HG23 ILE 60 3HG2 ILE 60 -2.986 5.418 -6.632 482 HD11 ILE 60 3HD1 ILE 60 -1.688 1.422 -9.117 483 HD12 ILE 60 1HD1 ILE 60 -2.203 3.108 -9.055 484 HD13 ILE 60 2HD1 ILE 60 -3.349 1.822 -8.675 485 H ALA 61 H ALA 61 -5.013 3.607 -4.523 486 HA ALA 61 HA ALA 61 -4.920 6.413 -3.911 487 HB1 ALA 61 3HB ALA 61 -7.273 5.971 -3.037 488 HB2 ALA 61 1HB ALA 61 -7.010 4.274 -3.441 489 HB3 ALA 61 2HB ALA 61 -6.986 5.496 -4.711 490 H CYS 62 H CYS 62 -5.151 3.505 -1.876 491 HA CYS 62 HA CYS 62 -5.277 4.906 0.623 492 HB2 CYS 62 1HB CYS 62 -4.308 2.116 -0.061 493 HB3 CYS 62 2HB CYS 62 -4.544 2.704 1.585 494 HG CYS 62 HG CYS 62 -6.844 1.786 1.143 495 H ALA 63 H ALA 63 -2.583 3.530 -1.243 496 HA ALA 63 HA ALA 63 -0.470 3.963 0.534 497 HB1 ALA 63 3HB ALA 63 0.009 2.878 -1.536 498 HB2 ALA 63 1HB ALA 63 0.891 4.403 -1.601 499 HB3 ALA 63 2HB ALA 63 -0.632 4.227 -2.473 500 H LYS 64 H LYS 64 -2.003 6.286 -1.684 501 HA LYS 64 HA LYS 64 -0.277 8.485 -1.069 502 HB2 LYS 64 1HB LYS 64 -3.160 8.392 -2.003 503 HB3 LYS 64 2HB LYS 64 -2.216 9.878 -1.895 504 HG2 LYS 64 1HG LYS 64 -0.547 8.937 -3.447 505 HG3 LYS 64 2HG LYS 64 -1.487 7.449 -3.559 506 HD2 LYS 64 1HD LYS 64 -3.387 8.691 -4.485 507 HD3 LYS 64 2HD LYS 64 -2.493 10.204 -4.328 508 HE2 LYS 64 1HE LYS 64 -2.334 9.409 -6.630 509 HE3 LYS 64 2HE LYS 64 -0.751 9.291 -5.861 510 HZ1 LYS 64 3HZ LYS 64 -1.981 6.914 -5.296 511 HZ2 LYS 64 1HZ LYS 64 -0.773 7.169 -6.460 512 HZ3 LYS 64 2HZ LYS 64 -2.410 7.224 -6.911 513 H ILE 65 H ILE 65 -3.358 7.397 0.365 514 HA ILE 65 HA ILE 65 -3.613 9.560 2.224 515 HB ILE 65 HB ILE 65 -4.629 6.704 2.321 516 HG12 ILE 65 1HG1 ILE 65 -6.089 9.298 1.741 517 HG13 ILE 65 2HG1 ILE 65 -5.425 8.258 0.483 518 HG21 ILE 65 1HG2 ILE 65 -4.620 7.461 4.591 519 HG22 ILE 65 2HG2 ILE 65 -6.266 7.707 4.010 520 HG23 ILE 65 3HG2 ILE 65 -5.160 9.074 4.126 521 HD11 ILE 65 3HD1 ILE 65 -6.927 6.515 0.949 522 HD12 ILE 65 1HD1 ILE 65 -7.926 7.950 1.164 523 HD13 ILE 65 2HD1 ILE 65 -7.273 7.111 2.571 524 H ILE 66 H ILE 66 -2.127 6.333 2.543 525 HA ILE 66 HA ILE 66 -1.357 6.663 5.288 526 HB ILE 66 HB ILE 66 -0.453 4.847 3.040 527 HG12 ILE 66 1HG1 ILE 66 -1.297 3.135 4.821 528 HG13 ILE 66 2HG1 ILE 66 -2.040 4.527 5.601 529 HG21 ILE 66 1HG2 ILE 66 0.853 3.622 4.895 530 HG22 ILE 66 2HG2 ILE 66 0.762 5.140 5.789 531 HG23 ILE 66 3HG2 ILE 66 1.581 5.084 4.229 532 HD11 ILE 66 3HD1 ILE 66 -3.617 3.413 4.074 533 HD12 ILE 66 1HD1 ILE 66 -2.499 3.648 2.736 534 HD13 ILE 66 2HD1 ILE 66 -3.259 5.038 3.511 535 H ILE 67 H ILE 67 0.402 7.186 2.233 536 HA ILE 67 HA ILE 67 2.855 8.025 3.448 537 HB ILE 67 HB ILE 67 1.626 8.618 0.741 538 HG12 ILE 67 1HG1 ILE 67 3.933 6.798 1.459 539 HG13 ILE 67 2HG1 ILE 67 2.263 6.231 1.428 540 HG21 ILE 67 1HG2 ILE 67 4.066 9.156 0.155 541 HG22 ILE 67 2HG2 ILE 67 4.340 9.285 1.892 542 HG23 ILE 67 3HG2 ILE 67 3.201 10.371 1.097 543 HD11 ILE 67 3HD1 ILE 67 3.544 5.864 -0.727 544 HD12 ILE 67 1HD1 ILE 67 3.587 7.617 -0.915 545 HD13 ILE 67 2HD1 ILE 67 2.041 6.770 -0.906 546 H ASP 68 H ASP 68 0.037 9.853 2.269 547 HA ASP 68 HA ASP 68 1.096 12.446 2.931 548 HB2 ASP 68 1HB ASP 68 -0.740 12.118 1.322 549 HB3 ASP 68 2HB ASP 68 -1.774 11.517 2.617 550 H SER 69 H SER 69 -1.151 10.255 4.615 551 HA SER 69 HA SER 69 -1.612 11.925 6.880 552 HB2 SER 69 1HB SER 69 -1.652 8.902 6.665 553 HB3 SER 69 2HB SER 69 -2.338 9.833 7.995 554 HG SER 69 HG SER 69 -4.031 10.077 6.790 555 H HIS 70 H HIS 70 0.824 9.409 6.274 556 HA HIS 70 HA HIS 70 1.989 9.363 8.856 557 HB2 HIS 70 1HB HIS 70 2.494 7.730 7.054 558 HB3 HIS 70 2HB HIS 70 3.366 8.989 6.179 559 HD1 HIS 70 HD1 HIS 70 3.515 7.002 9.400 560 HD2 HIS 70 HD2 HIS 70 5.965 9.469 7.100 561 HE1 HIS 70 HE1 HIS 70 5.833 6.850 10.409 562 H LEU 71 H LEU 71 2.688 11.427 6.051 563 HA LEU 71 HA LEU 71 4.892 12.821 7.229 564 HB2 LEU 71 1HB LEU 71 2.935 13.618 5.058 565 HB3 LEU 71 2HB LEU 71 4.362 14.562 5.475 566 HG LEU 71 HG LEU 71 4.493 11.633 4.704 567 HD11 LEU 71 1HD1 LEU 71 5.240 12.477 2.470 568 HD12 LEU 71 2HD1 LEU 71 4.782 14.104 2.974 569 HD13 LEU 71 3HD1 LEU 71 3.552 12.848 2.822 570 HD21 LEU 71 3HD2 LEU 71 6.526 12.193 5.763 571 HD22 LEU 71 1HD2 LEU 71 6.513 13.842 5.139 572 HD23 LEU 71 2HD2 LEU 71 6.893 12.494 4.070 573 H ASP 72 H ASP 72 1.400 13.362 7.326 574 HA ASP 72 HA ASP 72 1.496 15.965 8.517 575 HB2 ASP 72 1HB ASP 72 -0.586 13.767 8.603 576 HB3 ASP 72 2HB ASP 72 -0.841 15.364 9.309 577 H ARG 73 H ARG 73 2.222 12.850 9.767 578 HA ARG 73 HA ARG 73 2.715 14.025 12.427 579 HB2 ARG 73 1HB ARG 73 1.474 12.226 13.600 580 HB3 ARG 73 2HB ARG 73 0.400 13.223 12.622 581 HG2 ARG 73 1HG ARG 73 0.428 11.549 10.830 582 HG3 ARG 73 2HG ARG 73 1.554 10.554 11.748 583 HD2 ARG 73 1HD ARG 73 -1.183 11.348 12.772 584 HD3 ARG 73 2HD ARG 73 -0.854 9.827 11.941 585 HE ARG 73 HE ARG 73 1.006 10.089 14.078 586 HH11 ARG 73 1HH2 ARG 73 -2.367 9.673 13.457 587 HH12 ARG 73 2HH2 ARG 73 -2.663 8.804 14.925 588 HH21 ARG 73 1HH1 ARG 73 0.632 8.956 15.995 589 HH22 ARG 73 2HH1 ARG 73 -0.967 8.399 16.361 590 H HIS 74 H HIS 74 2.893 11.190 13.470 591 HA HIS 74 HA HIS 74 5.187 10.146 11.887 592 HB2 HIS 74 1HB HIS 74 6.620 10.035 13.828 593 HB3 HIS 74 2HB HIS 74 6.028 11.691 13.710 594 HD1 HIS 74 HD1 HIS 74 4.116 12.393 15.401 595 HD2 HIS 74 HD2 HIS 74 5.791 8.647 16.128 596 HE1 HIS 74 HE1 HIS 74 3.389 11.725 17.733 597 H ASP 75 H ASP 75 2.595 9.097 11.996 598 HA ASP 75 HA ASP 75 2.199 7.137 14.040 599 HB2 ASP 75 1HB ASP 75 0.407 7.879 12.497 600 HB3 ASP 75 2HB ASP 75 1.248 7.102 11.155 601 H GLN 76 H GLN 76 3.341 5.321 14.409 602 HA GLN 76 HA GLN 76 5.624 4.458 13.137 603 HB2 GLN 76 1HB GLN 76 4.731 3.512 15.257 604 HB3 GLN 76 2HB GLN 76 3.513 2.634 14.333 605 HG2 GLN 76 1HG GLN 76 5.380 1.144 14.822 606 HG3 GLN 76 2HG GLN 76 5.349 1.476 13.092 607 HE21 GLN 76 2HE2 GLN 76 7.594 1.364 12.621 608 HE22 GLN 76 1HE2 GLN 76 8.752 2.374 13.342 609 H GLY 77 H GLY 77 5.498 4.631 10.870 610 HA2 GLY 77 1HA GLY 77 4.294 2.299 9.533 611 HA3 GLY 77 2HA GLY 77 3.686 3.870 9.013 612 H LEU 78 H LEU 78 5.234 5.391 8.090 613 HA LEU 78 HA LEU 78 7.485 3.996 6.708 614 HB2 LEU 78 1HB LEU 78 6.330 6.722 6.071 615 HB3 LEU 78 2HB LEU 78 7.341 5.710 5.039 616 HG LEU 78 HG LEU 78 4.493 5.152 5.913 617 HD11 LEU 78 1HD1 LEU 78 5.668 5.422 3.136 618 HD12 LEU 78 2HD1 LEU 78 4.929 6.765 4.009 619 HD13 LEU 78 3HD1 LEU 78 3.962 5.355 3.579 620 HD21 LEU 78 3HD2 LEU 78 4.836 3.134 4.316 621 HD22 LEU 78 1HD2 LEU 78 5.513 3.016 5.939 622 HD23 LEU 78 2HD2 LEU 78 6.560 3.400 4.572 623 H ALA 79 H ALA 79 7.336 5.309 9.528 624 HA ALA 79 HA ALA 79 9.016 7.614 9.527 625 HB1 ALA 79 3HB ALA 79 8.440 5.469 11.579 626 HB2 ALA 79 1HB ALA 79 7.869 7.137 11.550 627 HB3 ALA 79 2HB ALA 79 9.557 6.790 11.918 628 H ASP 80 H ASP 80 9.755 4.151 9.602 629 HA ASP 80 HA ASP 80 12.569 4.396 10.049 630 HB2 ASP 80 1HB ASP 80 10.888 2.274 8.700 631 HB3 ASP 80 2HB ASP 80 12.627 2.106 8.928 632 H LEU 81 H LEU 81 10.612 4.446 7.096 633 HA LEU 81 HA LEU 81 12.985 4.550 5.370 634 HB2 LEU 81 1HB LEU 81 10.084 5.103 4.666 635 HB3 LEU 81 2HB LEU 81 11.388 4.693 3.550 636 HG LEU 81 HG LEU 81 10.296 2.900 5.739 637 HD11 LEU 81 1HD1 LEU 81 10.178 2.458 2.753 638 HD12 LEU 81 2HD1 LEU 81 8.896 3.301 3.622 639 HD13 LEU 81 3HD1 LEU 81 9.275 1.625 4.018 640 HD21 LEU 81 3HD2 LEU 81 11.775 1.212 4.368 641 HD22 LEU 81 1HD2 LEU 81 12.540 2.263 5.555 642 HD23 LEU 81 2HD2 LEU 81 12.625 2.662 3.839 643 H GLY 82 H GLY 82 11.462 6.746 7.352 644 HA2 GLY 82 1HA GLY 82 12.944 8.987 6.528 645 HA3 GLY 82 2HA GLY 82 11.393 9.098 5.695
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