NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
512705 | 2lek | 16377 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 5.040 9.793 -0.107 2 H2 MET 1 2H MET 1 5.378 11.311 -0.760 3 H3 MET 1 3H MET 1 6.488 10.572 0.275 4 HA MET 1 HA MET 1 7.184 10.467 -2.016 5 HB2 MET 1 2HB MET 1 7.696 8.060 -2.053 6 HB3 MET 1 1HB MET 1 7.899 8.724 -0.440 7 HG2 MET 1 2HG MET 1 5.644 7.770 0.154 8 HG3 MET 1 1HG MET 1 5.628 6.983 -1.424 9 HE1 MET 1 3HE MET 1 8.653 7.553 1.127 10 HE2 MET 1 1HE MET 1 8.624 5.996 1.954 11 HE3 MET 1 2HE MET 1 7.274 7.115 2.142 12 H LEU 2 H LEU 2 6.714 10.061 -4.129 13 HA LEU 2 HA LEU 2 3.936 9.814 -4.917 14 HB2 LEU 2 2HB LEU 2 5.492 11.420 -6.029 15 HB3 LEU 2 1HB LEU 2 6.468 10.076 -6.602 16 HG LEU 2 HG LEU 2 4.502 9.275 -7.971 17 HD11 LEU 2 1HD1 LEU 2 2.578 10.750 -8.323 18 HD12 LEU 2 2HD1 LEU 2 3.188 11.853 -7.084 19 HD13 LEU 2 3HD1 LEU 2 2.693 10.216 -6.648 20 HD21 LEU 2 3HD2 LEU 2 5.377 12.117 -8.552 21 HD22 LEU 2 1HD2 LEU 2 4.658 10.995 -9.713 22 HD23 LEU 2 2HD2 LEU 2 6.236 10.644 -9.009 23 H VAL 3 H VAL 3 3.213 7.756 -4.663 24 HA VAL 3 HA VAL 3 4.650 5.531 -6.012 25 HB VAL 3 HB VAL 3 3.636 3.986 -4.276 26 HG11 VAL 3 1HG1 VAL 3 5.270 4.512 -2.510 27 HG12 VAL 3 2HG1 VAL 3 5.495 6.127 -3.179 28 HG13 VAL 3 3HG1 VAL 3 5.985 4.709 -4.111 29 HG21 VAL 3 3HG2 VAL 3 2.808 4.940 -2.134 30 HG22 VAL 3 1HG2 VAL 3 1.782 5.435 -3.483 31 HG23 VAL 3 2HG2 VAL 3 2.945 6.571 -2.798 32 H THR 4 H THR 4 3.491 4.264 -7.352 33 HA THR 4 HA THR 4 0.972 5.184 -8.322 34 HB THR 4 HB THR 4 2.469 2.618 -9.017 35 HG1 THR 4 HG1 THR 4 3.122 5.185 -9.436 36 HG21 THR 4 3HG2 THR 4 1.282 2.767 -11.176 37 HG22 THR 4 1HG2 THR 4 0.431 4.212 -10.625 38 HG23 THR 4 2HG2 THR 4 0.125 2.657 -9.847 39 H ILE 5 H ILE 5 -0.626 4.923 -6.812 40 HA ILE 5 HA ILE 5 -1.038 2.362 -5.499 41 HB ILE 5 HB ILE 5 -2.494 4.995 -5.045 42 HG12 ILE 5 2HG1 ILE 5 -0.312 3.642 -3.394 43 HG13 ILE 5 1HG1 ILE 5 -0.080 5.065 -4.403 44 HG21 ILE 5 1HG2 ILE 5 -3.899 3.048 -4.444 45 HG22 ILE 5 2HG2 ILE 5 -3.387 3.914 -2.996 46 HG23 ILE 5 3HG2 ILE 5 -2.595 2.401 -3.440 47 HD11 ILE 5 3HD1 ILE 5 -1.598 6.330 -2.957 48 HD12 ILE 5 1HD1 ILE 5 -0.229 5.664 -2.071 49 HD13 ILE 5 2HD1 ILE 5 -1.813 4.906 -1.937 50 H ASN 6 H ASN 6 -2.070 0.944 -6.732 51 HA ASN 6 HA ASN 6 -3.667 -0.143 -7.895 52 HB2 ASN 6 2HB ASN 6 -5.084 0.738 -6.030 53 HB3 ASN 6 1HB ASN 6 -5.446 2.172 -6.977 54 HD21 ASN 6 1HD2 ASN 6 -5.358 -1.096 -8.326 55 HD22 ASN 6 2HD2 ASN 6 -7.054 -1.186 -8.619 56 H GLY 7 H GLY 7 -1.951 1.789 -9.263 57 HA2 GLY 7 2HA GLY 7 -1.707 2.071 -11.591 58 HA3 GLY 7 1HA GLY 7 -3.451 2.058 -11.790 59 H GLU 8 H GLU 8 -3.098 4.077 -9.274 60 HA GLU 8 HA GLU 8 -2.857 6.528 -10.921 61 HB2 GLU 8 2HB GLU 8 -4.986 6.338 -9.690 62 HB3 GLU 8 1HB GLU 8 -4.119 6.038 -8.184 63 HG2 GLU 8 2HG GLU 8 -3.102 8.356 -8.443 64 HG3 GLU 8 1HG GLU 8 -4.243 8.617 -9.763 65 H GLN 9 H GLN 9 -0.764 7.329 -10.829 66 HA GLN 9 HA GLN 9 1.063 6.946 -8.681 67 HB2 GLN 9 2HB GLN 9 1.050 9.117 -10.823 68 HB3 GLN 9 1HB GLN 9 2.404 8.750 -9.748 69 HG2 GLN 9 2HG GLN 9 2.453 6.423 -10.733 70 HG3 GLN 9 1HG GLN 9 1.237 6.950 -11.896 71 HE21 GLN 9 1HE2 GLN 9 4.576 7.180 -10.919 72 HE22 GLN 9 2HE2 GLN 9 5.144 7.958 -12.354 73 H ARG 10 H ARG 10 0.592 7.653 -6.689 74 HA ARG 10 HA ARG 10 -0.849 10.192 -6.258 75 HB2 ARG 10 2HB ARG 10 -2.229 8.103 -5.841 76 HB3 ARG 10 1HB ARG 10 -1.084 7.653 -4.578 77 HG2 ARG 10 2HG ARG 10 -1.664 9.685 -3.305 78 HG3 ARG 10 1HG ARG 10 -2.766 10.187 -4.589 79 HD2 ARG 10 2HD ARG 10 -4.013 7.987 -4.178 80 HD3 ARG 10 1HD ARG 10 -3.039 7.827 -2.712 81 HE ARG 10 HE ARG 10 -4.046 9.871 -1.892 82 HH11 ARG 10 2HH1 ARG 10 -5.649 8.436 -4.667 83 HH12 ARG 10 1HH1 ARG 10 -7.160 9.217 -4.346 84 HH21 ARG 10 1HH2 ARG 10 -6.038 10.914 -1.508 85 HH22 ARG 10 2HH2 ARG 10 -7.383 10.619 -2.563 86 H GLU 11 H GLU 11 0.146 11.582 -4.986 87 HA GLU 11 HA GLU 11 2.700 10.991 -3.720 88 HB2 GLU 11 2HB GLU 11 2.448 12.993 -5.122 89 HB3 GLU 11 1HB GLU 11 1.121 13.574 -4.128 90 HG2 GLU 11 2HG GLU 11 3.189 14.805 -3.665 91 HG3 GLU 11 1HG GLU 11 2.635 13.912 -2.244 92 H VAL 12 H VAL 12 2.475 9.995 -1.802 93 HA VAL 12 HA VAL 12 0.378 10.825 0.135 94 HB VAL 12 HB VAL 12 0.688 8.629 1.214 95 HG11 VAL 12 1HG1 VAL 12 0.210 8.395 -1.780 96 HG12 VAL 12 2HG1 VAL 12 -0.990 8.836 -0.562 97 HG13 VAL 12 3HG1 VAL 12 -0.289 7.219 -0.559 98 HG21 VAL 12 3HG2 VAL 12 3.077 8.222 0.734 99 HG22 VAL 12 1HG2 VAL 12 2.721 8.024 -0.984 100 HG23 VAL 12 2HG2 VAL 12 2.101 6.858 0.189 101 H GLN 13 H GLN 13 1.041 10.550 2.478 102 HA GLN 13 HA GLN 13 3.707 11.770 2.947 103 HB2 GLN 13 2HB GLN 13 1.163 11.955 4.628 104 HB3 GLN 13 1HB GLN 13 2.675 12.803 4.959 105 HG2 GLN 13 2HG GLN 13 0.919 13.216 2.513 106 HG3 GLN 13 1HG GLN 13 0.971 14.268 3.928 107 HE21 GLN 13 1HE2 GLN 13 1.697 14.599 1.006 108 HE22 GLN 13 2HE2 GLN 13 3.252 15.337 1.043 109 H SER 14 H SER 14 2.144 8.860 3.287 110 HA SER 14 HA SER 14 3.236 8.108 5.896 111 HB2 SER 14 2HB SER 14 1.992 5.927 5.325 112 HB3 SER 14 1HB SER 14 1.003 7.378 5.500 113 HG SER 14 HG SER 14 0.577 7.374 3.417 114 H ALA 15 H ALA 15 5.039 6.988 6.175 115 HA ALA 15 HA ALA 15 6.649 6.011 3.916 116 HB1 ALA 15 3HB ALA 15 7.442 6.410 6.825 117 HB2 ALA 15 1HB ALA 15 7.693 7.566 5.516 118 HB3 ALA 15 2HB ALA 15 8.527 6.013 5.486 119 H SER 16 H SER 16 4.487 4.703 6.103 120 HA SER 16 HA SER 16 5.645 1.974 5.888 121 HB2 SER 16 2HB SER 16 5.714 2.731 8.242 122 HB3 SER 16 1HB SER 16 4.006 3.147 8.178 123 HG SER 16 HG SER 16 5.060 0.521 7.841 124 H VAL 17 H VAL 17 4.165 0.326 5.435 125 HA VAL 17 HA VAL 17 1.979 1.022 3.759 126 HB VAL 17 HB VAL 17 2.985 -1.677 4.741 127 HG11 VAL 17 1HG1 VAL 17 0.590 -1.962 4.275 128 HG12 VAL 17 2HG1 VAL 17 1.539 -2.747 3.010 129 HG13 VAL 17 3HG1 VAL 17 0.781 -1.182 2.703 130 HG21 VAL 17 3HG2 VAL 17 3.819 -1.895 2.410 131 HG22 VAL 17 1HG2 VAL 17 4.492 -0.473 3.217 132 HG23 VAL 17 2HG2 VAL 17 3.186 -0.289 2.044 133 H ALA 18 H ALA 18 2.184 -0.230 7.102 134 HA ALA 18 HA ALA 18 -0.534 -0.576 7.663 135 HB1 ALA 18 3HB ALA 18 1.634 0.492 9.515 136 HB2 ALA 18 1HB ALA 18 1.209 -1.205 9.271 137 HB3 ALA 18 2HB ALA 18 0.056 -0.113 10.036 138 H ALA 19 H ALA 19 1.506 2.286 8.016 139 HA ALA 19 HA ALA 19 -0.499 4.117 8.787 140 HB1 ALA 19 3HB ALA 19 1.234 5.813 8.384 141 HB2 ALA 19 1HB ALA 19 2.221 4.617 7.548 142 HB3 ALA 19 2HB ALA 19 1.889 4.436 9.275 143 H LEU 20 H LEU 20 0.624 3.012 5.651 144 HA LEU 20 HA LEU 20 -0.386 5.134 4.050 145 HB2 LEU 20 2HB LEU 20 1.390 3.656 3.246 146 HB3 LEU 20 1HB LEU 20 0.326 2.266 3.348 147 HG LEU 20 HG LEU 20 -1.076 3.197 1.499 148 HD11 LEU 20 1HD1 LEU 20 -0.312 5.110 0.178 149 HD12 LEU 20 2HD1 LEU 20 1.002 5.396 1.324 150 HD13 LEU 20 3HD1 LEU 20 -0.677 5.584 1.836 151 HD21 LEU 20 3HD2 LEU 20 0.483 2.783 -0.320 152 HD22 LEU 20 1HD2 LEU 20 0.743 1.634 0.991 153 HD23 LEU 20 2HD2 LEU 20 1.854 2.991 0.776 154 H MET 21 H MET 21 -1.568 1.839 4.695 155 HA MET 21 HA MET 21 -4.026 2.082 3.354 156 HB2 MET 21 2HB MET 21 -3.312 0.231 5.671 157 HB3 MET 21 1HB MET 21 -4.681 0.029 4.582 158 HG2 MET 21 2HG MET 21 -1.773 -0.058 3.711 159 HG3 MET 21 1HG MET 21 -2.755 -1.478 4.062 160 HE1 MET 21 3HE MET 21 -4.448 -2.542 2.409 161 HE2 MET 21 1HE MET 21 -5.210 -1.663 1.082 162 HE3 MET 21 2HE MET 21 -5.503 -1.169 2.750 163 H THR 22 H THR 22 -3.043 2.891 6.687 164 HA THR 22 HA THR 22 -5.658 3.457 7.712 165 HB THR 22 HB THR 22 -2.997 4.544 8.732 166 HG1 THR 22 HG1 THR 22 -2.625 2.610 9.454 167 HG21 THR 22 3HG2 THR 22 -4.125 4.643 10.930 168 HG22 THR 22 1HG2 THR 22 -5.624 4.058 10.195 169 HG23 THR 22 2HG2 THR 22 -4.985 5.642 9.756 170 H GLU 23 H GLU 23 -3.178 5.356 6.089 171 HA GLU 23 HA GLU 23 -4.310 7.949 6.431 172 HB2 GLU 23 2HB GLU 23 -1.904 7.480 5.906 173 HB3 GLU 23 1HB GLU 23 -2.375 6.938 4.301 174 HG2 GLU 23 2HG GLU 23 -3.079 9.178 3.678 175 HG3 GLU 23 1HG GLU 23 -2.872 9.743 5.339 176 H LEU 24 H LEU 24 -4.649 5.401 4.055 177 HA LEU 24 HA LEU 24 -6.385 6.976 2.300 178 HB2 LEU 24 2HB LEU 24 -5.355 4.124 2.046 179 HB3 LEU 24 1HB LEU 24 -6.270 4.987 0.814 180 HG LEU 24 HG LEU 24 -3.499 5.803 1.792 181 HD11 LEU 24 1HD1 LEU 24 -4.260 4.372 -0.765 182 HD12 LEU 24 2HD1 LEU 24 -3.386 3.682 0.607 183 HD13 LEU 24 3HD1 LEU 24 -2.653 4.973 -0.338 184 HD21 LEU 24 3HD2 LEU 24 -5.152 6.865 -0.531 185 HD22 LEU 24 1HD2 LEU 24 -3.492 7.327 -0.138 186 HD23 LEU 24 2HD2 LEU 24 -4.798 7.717 0.976 187 H ASP 25 H ASP 25 -6.825 5.189 5.090 188 HA ASP 25 HA ASP 25 -8.654 4.504 6.237 189 HB2 ASP 25 2HB ASP 25 -9.770 6.499 5.299 190 HB3 ASP 25 1HB ASP 25 -10.196 5.607 3.852 191 H CYS 26 H CYS 26 -7.314 2.815 4.051 192 HA CYS 26 HA CYS 26 -9.368 0.893 3.256 193 HB2 CYS 26 2HB CYS 26 -6.409 0.958 2.557 194 HB3 CYS 26 1HB CYS 26 -7.684 0.048 1.743 195 HG CYS 26 HG CYS 26 -8.580 3.157 1.651 196 H THR 27 H THR 27 -8.775 0.925 6.097 197 HA THR 27 HA THR 27 -7.125 -1.522 6.497 198 HB THR 27 HB THR 27 -7.086 -0.741 8.945 199 HG1 THR 27 HG1 THR 27 -8.865 0.746 8.742 200 HG21 THR 27 3HG2 THR 27 -5.159 -0.459 7.456 201 HG22 THR 27 1HG2 THR 27 -5.313 0.922 8.549 202 HG23 THR 27 2HG2 THR 27 -5.822 1.064 6.866 203 H ASP 28 H ASP 28 -10.377 -0.647 6.395 204 HA ASP 28 HA ASP 28 -11.199 -2.672 8.425 205 HB2 ASP 28 2HB ASP 28 -12.781 -0.273 7.428 206 HB3 ASP 28 1HB ASP 28 -13.314 -1.400 8.661 207 H GLY 29 H GLY 29 -13.752 -3.192 7.783 208 HA2 GLY 29 2HA GLY 29 -15.078 -4.508 6.462 209 HA3 GLY 29 1HA GLY 29 -14.486 -3.563 5.109 210 H HIS 30 H HIS 30 -13.234 -4.582 3.622 211 HA HIS 30 HA HIS 30 -11.320 -6.615 4.425 212 HB2 HIS 30 2HB HIS 30 -12.062 -8.298 2.729 213 HB3 HIS 30 1HB HIS 30 -13.254 -8.063 3.994 214 HD1 HIS 30 HD1 HIS 30 -13.042 -8.411 0.467 215 HD2 HIS 30 HD2 HIS 30 -15.374 -6.095 2.996 216 HE1 HIS 30 HE1 HIS 30 -15.038 -7.736 -0.881 217 HE2 HIS 30 HE2 HIS 30 -16.477 -6.414 0.693 218 H TYR 31 H TYR 31 -9.891 -4.918 3.854 219 HA TYR 31 HA TYR 31 -9.379 -4.741 0.931 220 HB2 TYR 31 2HB TYR 31 -8.526 -2.779 3.102 221 HB3 TYR 31 1HB TYR 31 -8.101 -2.658 1.400 222 HD1 TYR 31 HD1 TYR 31 -9.968 -2.208 -0.302 223 HD2 TYR 31 HD2 TYR 31 -10.610 -1.884 3.907 224 HE1 TYR 31 HE1 TYR 31 -11.986 -0.854 -0.699 225 HE2 TYR 31 HE2 TYR 31 -12.619 -0.550 3.515 226 HH TYR 31 HH TYR 31 -13.569 0.896 1.752 227 H ALA 32 H ALA 32 -7.146 -4.718 0.350 228 HA ALA 32 HA ALA 32 -5.156 -5.850 2.163 229 HB1 ALA 32 3HB ALA 32 -4.608 -7.672 0.564 230 HB2 ALA 32 1HB ALA 32 -5.966 -7.190 -0.458 231 HB3 ALA 32 2HB ALA 32 -6.262 -7.835 1.158 232 H VAL 33 H VAL 33 -3.012 -5.747 1.158 233 HA VAL 33 HA VAL 33 -2.771 -3.613 -0.898 234 HB VAL 33 HB VAL 33 -1.955 -2.821 1.288 235 HG11 VAL 33 1HG1 VAL 33 -0.063 -3.888 2.455 236 HG12 VAL 33 2HG1 VAL 33 -0.047 -5.186 1.263 237 HG13 VAL 33 3HG1 VAL 33 -1.436 -4.988 2.332 238 HG21 VAL 33 3HG2 VAL 33 0.368 -3.384 -0.599 239 HG22 VAL 33 1HG2 VAL 33 0.353 -2.152 0.669 240 HG23 VAL 33 2HG2 VAL 33 -0.749 -2.023 -0.703 241 H ALA 34 H ALA 34 -1.557 -4.071 -2.660 242 HA ALA 34 HA ALA 34 0.018 -6.580 -2.742 243 HB1 ALA 34 3HB ALA 34 -1.963 -6.738 -4.187 244 HB2 ALA 34 1HB ALA 34 -0.485 -6.698 -5.155 245 HB3 ALA 34 2HB ALA 34 -1.495 -5.256 -5.021 246 H LEU 35 H LEU 35 1.980 -5.849 -2.326 247 HA LEU 35 HA LEU 35 3.049 -3.343 -3.409 248 HB2 LEU 35 2HB LEU 35 3.406 -4.016 -1.016 249 HB3 LEU 35 1HB LEU 35 4.271 -5.439 -1.558 250 HG LEU 35 HG LEU 35 5.949 -3.794 -2.684 251 HD11 LEU 35 1HD1 LEU 35 6.106 -1.547 -1.707 252 HD12 LEU 35 2HD1 LEU 35 4.585 -1.806 -0.846 253 HD13 LEU 35 3HD1 LEU 35 4.610 -1.768 -2.613 254 HD21 LEU 35 3HD2 LEU 35 5.795 -3.892 0.342 255 HD22 LEU 35 1HD2 LEU 35 7.231 -3.496 -0.610 256 HD23 LEU 35 2HD2 LEU 35 6.524 -5.107 -0.711 257 H ASN 36 H ASN 36 3.754 -3.512 -5.481 258 HA ASN 36 HA ASN 36 4.581 -4.266 -7.453 259 HB2 ASN 36 2HB ASN 36 6.269 -6.040 -5.621 260 HB3 ASN 36 1HB ASN 36 6.518 -5.944 -7.367 261 HD21 ASN 36 1HD2 ASN 36 6.560 -4.019 -4.401 262 HD22 ASN 36 2HD2 ASN 36 7.680 -2.862 -4.974 263 H TYR 37 H TYR 37 2.132 -5.307 -6.594 264 HA TYR 37 HA TYR 37 0.518 -6.769 -7.142 265 HB2 TYR 37 2HB TYR 37 2.598 -8.331 -8.727 266 HB3 TYR 37 1HB TYR 37 0.861 -8.604 -8.792 267 HD1 TYR 37 HD1 TYR 37 -0.613 -6.605 -9.607 268 HD2 TYR 37 HD2 TYR 37 3.610 -6.821 -10.252 269 HE1 TYR 37 HE1 TYR 37 -0.812 -5.033 -11.474 270 HE2 TYR 37 HE2 TYR 37 3.409 -5.242 -12.108 271 HH TYR 37 HH TYR 37 0.709 -3.357 -12.631 272 H ASP 38 H ASP 38 3.125 -7.563 -5.240 273 HA ASP 38 HA ASP 38 2.259 -10.278 -4.512 274 HB2 ASP 38 2HB ASP 38 4.698 -9.796 -4.719 275 HB3 ASP 38 1HB ASP 38 4.561 -8.572 -3.461 276 H VAL 39 H VAL 39 0.582 -10.359 -3.160 277 HA VAL 39 HA VAL 39 -0.348 -8.192 -1.602 278 HB VAL 39 HB VAL 39 -1.171 -11.116 -1.345 279 HG11 VAL 39 1HG1 VAL 39 -3.292 -10.213 -0.386 280 HG12 VAL 39 2HG1 VAL 39 -2.617 -8.583 -0.440 281 HG13 VAL 39 3HG1 VAL 39 -1.896 -9.802 0.613 282 HG21 VAL 39 3HG2 VAL 39 -3.037 -10.533 -2.865 283 HG22 VAL 39 1HG2 VAL 39 -1.468 -10.322 -3.646 284 HG23 VAL 39 2HG2 VAL 39 -2.363 -8.914 -3.070 285 H VAL 40 H VAL 40 0.272 -7.541 0.300 286 HA VAL 40 HA VAL 40 2.029 -9.106 2.034 287 HB VAL 40 HB VAL 40 1.103 -6.211 2.315 288 HG11 VAL 40 1HG1 VAL 40 1.778 -7.166 4.484 289 HG12 VAL 40 2HG1 VAL 40 2.956 -5.967 3.949 290 HG13 VAL 40 3HG1 VAL 40 3.317 -7.687 3.791 291 HG21 VAL 40 3HG2 VAL 40 3.742 -7.250 1.217 292 HG22 VAL 40 1HG2 VAL 40 3.334 -5.552 1.484 293 HG23 VAL 40 2HG2 VAL 40 2.457 -6.489 0.271 294 HA PRO 41 HA PRO 41 -1.683 -10.280 4.503 295 HB2 PRO 41 2HB PRO 41 -0.071 -11.227 6.642 296 HB3 PRO 41 1HB PRO 41 -0.684 -12.213 5.300 297 HG2 PRO 41 2HG PRO 41 2.006 -10.941 5.633 298 HG3 PRO 41 1HG PRO 41 1.585 -12.520 4.933 299 HD2 PRO 41 2HD PRO 41 2.228 -10.447 3.357 300 HD3 PRO 41 1HD PRO 41 0.949 -11.583 2.868 301 H ARG 42 H ARG 42 -2.691 -9.275 6.236 302 HA ARG 42 HA ARG 42 -1.988 -6.629 6.722 303 HB2 ARG 42 2HB ARG 42 -3.829 -6.644 8.476 304 HB3 ARG 42 1HB ARG 42 -4.283 -7.079 6.842 305 HG2 ARG 42 2HG ARG 42 -5.487 -8.522 8.287 306 HG3 ARG 42 1HG ARG 42 -4.218 -9.505 7.563 307 HD2 ARG 42 2HD ARG 42 -4.588 -9.923 10.009 308 HD3 ARG 42 1HD ARG 42 -2.931 -9.480 9.589 309 HE ARG 42 HE ARG 42 -4.417 -7.179 10.334 310 HH11 ARG 42 2HH1 ARG 42 -2.857 -10.001 11.785 311 HH12 ARG 42 1HH1 ARG 42 -2.575 -9.198 13.293 312 HH21 ARG 42 1HH2 ARG 42 -3.983 -6.179 12.291 313 HH22 ARG 42 2HH2 ARG 42 -3.211 -7.050 13.573 314 H GLY 43 H GLY 43 -1.197 -9.465 8.576 315 HA2 GLY 43 2HA GLY 43 -0.291 -8.201 10.952 316 HA3 GLY 43 1HA GLY 43 0.092 -9.828 10.423 317 H LYS 44 H LYS 44 1.041 -7.951 7.899 318 HA LYS 44 HA LYS 44 3.791 -7.551 8.929 319 HB2 LYS 44 2HB LYS 44 2.969 -8.411 6.143 320 HB3 LYS 44 1HB LYS 44 4.621 -8.063 6.663 321 HG2 LYS 44 2HG LYS 44 4.217 -9.902 8.451 322 HG3 LYS 44 1HG LYS 44 2.826 -10.364 7.464 323 HD2 LYS 44 2HD LYS 44 4.652 -11.742 6.793 324 HD3 LYS 44 1HD LYS 44 4.403 -10.568 5.503 325 HE2 LYS 44 2HE LYS 44 6.797 -10.874 5.947 326 HE3 LYS 44 1HE LYS 44 6.310 -9.232 6.375 327 HZ1 LYS 44 3HZ LYS 44 6.248 -9.862 8.683 328 HZ2 LYS 44 1HZ LYS 44 7.751 -10.277 8.032 329 HZ3 LYS 44 2HZ LYS 44 6.593 -11.475 8.305 330 H TRP 45 H TRP 45 1.094 -5.891 7.849 331 HA TRP 45 HA TRP 45 2.004 -3.986 6.021 332 HB2 TRP 45 2HB TRP 45 -0.122 -3.741 8.180 333 HB3 TRP 45 1HB TRP 45 0.175 -2.460 7.013 334 HD1 TRP 45 HD1 TRP 45 0.545 -5.601 5.162 335 HE1 TRP 45 HE1 TRP 45 -1.608 -6.197 3.905 336 HE3 TRP 45 HE3 TRP 45 -2.678 -2.340 7.437 337 HZ2 TRP 45 HZ2 TRP 45 -4.299 -5.394 3.844 338 HZ3 TRP 45 HZ3 TRP 45 -5.039 -2.312 6.713 339 HH2 TRP 45 HH2 TRP 45 -5.832 -3.814 4.945 340 H ASP 46 H ASP 46 2.295 -3.922 9.553 341 HA ASP 46 HA ASP 46 3.423 -1.279 9.729 342 HB2 ASP 46 2HB ASP 46 2.172 -2.281 11.619 343 HB3 ASP 46 1HB ASP 46 3.398 -3.532 11.783 344 H GLU 47 H GLU 47 4.731 -4.553 9.535 345 HA GLU 47 HA GLU 47 7.486 -3.938 9.960 346 HB2 GLU 47 2HB GLU 47 6.210 -6.287 8.489 347 HB3 GLU 47 1HB GLU 47 7.911 -6.196 8.955 348 HG2 GLU 47 2HG GLU 47 7.295 -6.180 11.321 349 HG3 GLU 47 1HG GLU 47 5.580 -6.180 10.901 350 H THR 48 H THR 48 5.387 -3.563 7.217 351 HA THR 48 HA THR 48 7.603 -3.588 5.268 352 HB THR 48 HB THR 48 4.605 -3.458 4.721 353 HG1 THR 48 HG1 THR 48 5.669 -5.453 5.789 354 HG21 THR 48 3HG2 THR 48 6.933 -4.165 2.891 355 HG22 THR 48 1HG2 THR 48 6.017 -2.654 2.845 356 HG23 THR 48 2HG2 THR 48 5.228 -4.180 2.439 357 HA PRO 49 HA PRO 49 7.000 0.998 5.229 358 HB2 PRO 49 2HB PRO 49 9.381 1.675 4.115 359 HB3 PRO 49 1HB PRO 49 9.281 1.177 5.819 360 HG2 PRO 49 2HG PRO 49 10.148 -0.449 3.440 361 HG3 PRO 49 1HG PRO 49 10.869 -0.362 5.064 362 HD2 PRO 49 2HD PRO 49 9.150 -2.379 4.256 363 HD3 PRO 49 1HD PRO 49 9.374 -1.898 5.953 364 H VAL 50 H VAL 50 6.680 2.466 3.467 365 HA VAL 50 HA VAL 50 6.232 1.333 0.809 366 HB VAL 50 HB VAL 50 5.761 4.235 1.684 367 HG11 VAL 50 1HG1 VAL 50 4.505 2.590 -0.546 368 HG12 VAL 50 2HG1 VAL 50 5.729 3.841 -0.758 369 HG13 VAL 50 3HG1 VAL 50 4.122 4.276 -0.173 370 HG21 VAL 50 3HG2 VAL 50 4.513 2.773 3.232 371 HG22 VAL 50 1HG2 VAL 50 3.769 1.944 1.865 372 HG23 VAL 50 2HG2 VAL 50 3.407 3.645 2.168 373 H THR 51 H THR 51 7.372 2.130 -1.053 374 HA THR 51 HA THR 51 9.832 3.710 -0.551 375 HB THR 51 HB THR 51 10.806 2.262 -2.523 376 HG1 THR 51 HG1 THR 51 9.510 0.747 -3.222 377 HG21 THR 51 3HG2 THR 51 10.392 0.935 0.183 378 HG22 THR 51 1HG2 THR 51 11.666 2.099 -0.207 379 HG23 THR 51 2HG2 THR 51 11.635 0.524 -1.000 380 H ALA 52 H ALA 52 10.180 5.376 -1.965 381 HA ALA 52 HA ALA 52 8.077 6.436 -3.479 382 HB1 ALA 52 3HB ALA 52 9.867 7.807 -2.501 383 HB2 ALA 52 1HB ALA 52 9.734 8.115 -4.236 384 HB3 ALA 52 2HB ALA 52 11.039 7.101 -3.615 385 H GLY 53 H GLY 53 7.405 6.132 -5.525 386 HA2 GLY 53 2HA GLY 53 7.468 5.739 -7.808 387 HA3 GLY 53 1HA GLY 53 9.135 5.202 -7.684 388 H ASP 54 H ASP 54 7.186 3.651 -5.376 389 HA ASP 54 HA ASP 54 7.295 1.100 -6.793 390 HB2 ASP 54 2HB ASP 54 7.784 1.595 -4.239 391 HB3 ASP 54 1HB ASP 54 6.042 1.479 -4.053 392 H GLU 55 H GLU 55 5.282 -0.319 -6.669 393 HA GLU 55 HA GLU 55 2.855 1.251 -7.302 394 HB2 GLU 55 2HB GLU 55 3.909 0.037 -9.257 395 HB3 GLU 55 1HB GLU 55 3.548 -1.484 -8.445 396 HG2 GLU 55 2HG GLU 55 1.152 -1.007 -8.532 397 HG3 GLU 55 1HG GLU 55 1.466 0.590 -9.210 398 H ILE 56 H ILE 56 1.755 1.209 -5.477 399 HA ILE 56 HA ILE 56 1.321 -1.266 -3.926 400 HB ILE 56 HB ILE 56 0.769 1.675 -3.270 401 HG12 ILE 56 2HG1 ILE 56 2.334 1.144 -1.273 402 HG13 ILE 56 1HG1 ILE 56 2.711 -0.369 -2.082 403 HG21 ILE 56 1HG2 ILE 56 -1.102 0.416 -2.368 404 HG22 ILE 56 2HG2 ILE 56 -0.058 0.918 -1.038 405 HG23 ILE 56 3HG2 ILE 56 -0.006 -0.743 -1.620 406 HD11 ILE 56 3HD1 ILE 56 4.427 1.293 -2.437 407 HD12 ILE 56 1HD1 ILE 56 3.247 2.396 -3.144 408 HD13 ILE 56 2HD1 ILE 56 3.643 0.883 -3.961 409 H GLU 57 H GLU 57 -0.217 -2.372 -5.085 410 HA GLU 57 HA GLU 57 -2.625 -1.081 -6.123 411 HB2 GLU 57 2HB GLU 57 -1.478 -2.658 -7.570 412 HB3 GLU 57 1HB GLU 57 -1.530 -3.907 -6.334 413 HG2 GLU 57 2HG GLU 57 -3.993 -4.006 -6.541 414 HG3 GLU 57 1HG GLU 57 -3.934 -2.745 -7.778 415 H ILE 58 H ILE 58 -4.224 -0.736 -4.612 416 HA ILE 58 HA ILE 58 -4.471 -2.418 -2.255 417 HB ILE 58 HB ILE 58 -6.304 -0.179 -3.224 418 HG12 ILE 58 2HG1 ILE 58 -4.130 -0.142 -1.076 419 HG13 ILE 58 1HG1 ILE 58 -4.007 0.602 -2.670 420 HG21 ILE 58 1HG2 ILE 58 -7.273 -0.191 -0.933 421 HG22 ILE 58 2HG2 ILE 58 -6.257 -1.568 -0.502 422 HG23 ILE 58 3HG2 ILE 58 -7.515 -1.749 -1.726 423 HD11 ILE 58 3HD1 ILE 58 -5.900 1.407 -0.457 424 HD12 ILE 58 1HD1 ILE 58 -5.863 2.116 -2.077 425 HD13 ILE 58 2HD1 ILE 58 -4.469 2.271 -1.013 426 H LEU 59 H LEU 59 -5.314 -4.395 -2.531 427 HA LEU 59 HA LEU 59 -7.359 -4.940 -4.542 428 HB2 LEU 59 2HB LEU 59 -5.706 -6.713 -2.718 429 HB3 LEU 59 1HB LEU 59 -7.029 -7.352 -3.687 430 HG LEU 59 HG LEU 59 -4.576 -5.941 -4.829 431 HD11 LEU 59 1HD1 LEU 59 -3.938 -8.077 -3.888 432 HD12 LEU 59 2HD1 LEU 59 -3.897 -8.147 -5.647 433 HD13 LEU 59 3HD1 LEU 59 -5.235 -8.893 -4.767 434 HD21 LEU 59 3HD2 LEU 59 -6.527 -5.623 -6.245 435 HD22 LEU 59 1HD2 LEU 59 -6.893 -7.353 -6.195 436 HD23 LEU 59 2HD2 LEU 59 -5.431 -6.772 -7.008 437 H THR 60 H THR 60 -9.427 -5.487 -4.121 438 HA THR 60 HA THR 60 -10.416 -5.514 -1.333 439 HB THR 60 HB THR 60 -12.680 -5.151 -2.417 440 HG1 THR 60 HG1 THR 60 -12.070 -4.169 -4.735 441 HG21 THR 60 3HG2 THR 60 -12.345 -2.768 -2.987 442 HG22 THR 60 1HG2 THR 60 -10.599 -3.027 -3.083 443 HG23 THR 60 2HG2 THR 60 -11.439 -3.201 -1.538 444 HA PRO 61 HA PRO 61 -9.879 -9.888 -2.764 445 HB2 PRO 61 2HB PRO 61 -9.949 -11.043 -0.213 446 HB3 PRO 61 1HB PRO 61 -8.496 -10.349 -0.964 447 HG2 PRO 61 2HG PRO 61 -10.369 -9.079 1.020 448 HG3 PRO 61 1HG PRO 61 -8.591 -9.045 0.969 449 HD2 PRO 61 2HD PRO 61 -10.044 -6.956 0.115 450 HD3 PRO 61 1HD PRO 61 -8.533 -7.413 -0.702 451 H ARG 62 H ARG 62 -11.415 -11.237 -3.445 452 HA ARG 62 HA ARG 62 -14.197 -10.953 -2.785 453 HB2 ARG 62 2HB ARG 62 -13.319 -11.502 -5.083 454 HB3 ARG 62 1HB ARG 62 -12.790 -13.069 -4.480 455 HG2 ARG 62 2HG ARG 62 -15.177 -13.634 -3.973 456 HG3 ARG 62 1HG ARG 62 -15.667 -12.087 -4.682 457 HD2 ARG 62 2HD ARG 62 -14.258 -14.383 -6.090 458 HD3 ARG 62 1HD ARG 62 -15.933 -13.876 -6.328 459 HE ARG 62 HE ARG 62 -14.824 -11.666 -7.071 460 HH11 ARG 62 1HH1 ARG 62 -13.479 -14.852 -7.720 461 HH12 ARG 62 2HH1 ARG 62 -12.663 -14.352 -9.165 462 HH21 ARG 62 2HH2 ARG 62 -13.761 -11.040 -8.978 463 HH22 ARG 62 1HH2 ARG 62 -12.829 -12.194 -9.873 464 H GLN 63 H GLN 63 -14.634 -11.602 -0.731 465 HA GLN 63 HA GLN 63 -14.067 -14.388 0.095 466 HB2 GLN 63 2HB GLN 63 -13.731 -13.433 2.468 467 HB3 GLN 63 1HB GLN 63 -12.435 -13.172 1.316 468 HG2 GLN 63 2HG GLN 63 -12.690 -11.153 2.588 469 HG3 GLN 63 1HG GLN 63 -13.250 -10.831 0.959 470 HE21 GLN 63 1HE2 GLN 63 -15.447 -10.346 0.630 471 HE22 GLN 63 2HE2 GLN 63 -16.534 -10.031 1.931 472 H GLY 64 H GLY 64 -16.459 -12.904 -1.037 473 HA2 GLY 64 2HA GLY 64 -18.471 -12.631 0.967 474 HA3 GLY 64 1HA GLY 64 -18.732 -12.796 -0.763 475 H GLY 65 H GLY 65 -18.141 -15.117 -1.606 476 HA2 GLY 65 2HA GLY 65 -19.647 -17.097 -0.066 477 HA3 GLY 65 1HA GLY 65 -19.060 -17.257 -1.713 478 H LEU 66 H LEU 66 -17.257 -16.385 1.195 479 HA LEU 66 HA LEU 66 -15.611 -18.817 0.993 480 HB2 LEU 66 2HB LEU 66 -14.586 -16.357 0.689 481 HB3 LEU 66 1HB LEU 66 -14.710 -16.308 2.434 482 HG LEU 66 HG LEU 66 -12.973 -18.162 0.759 483 HD11 LEU 66 1HD1 LEU 66 -12.118 -15.896 1.013 484 HD12 LEU 66 2HD1 LEU 66 -11.106 -17.044 1.888 485 HD13 LEU 66 3HD1 LEU 66 -12.245 -16.020 2.770 486 HD21 LEU 66 3HD2 LEU 66 -13.778 -19.496 2.656 487 HD22 LEU 66 1HD2 LEU 66 -13.288 -18.228 3.785 488 HD23 LEU 66 2HD2 LEU 66 -12.071 -19.111 2.858 489 H GLU 67 H GLU 67 -16.074 -20.173 2.621 490 HA GLU 67 HA GLU 67 -18.028 -19.862 4.528 491 HB2 GLU 67 2HB GLU 67 -17.138 -21.935 5.562 492 HB3 GLU 67 1HB GLU 67 -17.258 -22.040 3.809 493 HG2 GLU 67 2HG GLU 67 -14.832 -21.657 3.597 494 HG3 GLU 67 1HG GLU 67 -14.684 -21.520 5.352 495 H HIS 68 H HIS 68 -14.628 -19.010 4.883 496 HA HIS 68 HA HIS 68 -14.554 -18.943 7.731 497 HB2 HIS 68 2HB HIS 68 -12.548 -19.296 6.160 498 HB3 HIS 68 1HB HIS 68 -12.578 -17.566 5.848 499 HD1 HIS 68 HD1 HIS 68 -11.478 -20.098 8.288 500 HD2 HIS 68 HD2 HIS 68 -11.848 -15.968 8.174 501 HE1 HIS 68 HE1 HIS 68 -10.152 -19.249 10.235 502 HE2 HIS 68 HE2 HIS 68 -10.599 -16.774 10.270 503 H HIS 69 H HIS 69 -15.852 -16.786 5.413 504 HA HIS 69 HA HIS 69 -15.375 -14.208 6.273 505 HB2 HIS 69 2HB HIS 69 -17.335 -13.514 5.106 506 HB3 HIS 69 1HB HIS 69 -16.809 -14.961 4.261 507 HD1 HIS 69 HD1 HIS 69 -19.761 -13.442 5.558 508 HD2 HIS 69 HD2 HIS 69 -18.397 -17.352 5.316 509 HE1 HIS 69 HE1 HIS 69 -21.778 -14.889 5.890 510 HE2 HIS 69 HE2 HIS 69 -20.958 -17.226 5.460 511 H HIS 70 H HIS 70 -17.471 -16.589 7.718 512 HA HIS 70 HA HIS 70 -17.405 -15.295 10.265 513 HB2 HIS 70 2HB HIS 70 -19.406 -14.188 9.179 514 HB3 HIS 70 1HB HIS 70 -20.132 -15.771 8.952 515 HD1 HIS 70 HD1 HIS 70 -19.591 -13.108 11.471 516 HD2 HIS 70 HD2 HIS 70 -21.053 -16.993 11.390 517 HE1 HIS 70 HE1 HIS 70 -20.806 -13.418 13.640 518 HE2 HIS 70 HE2 HIS 70 -21.768 -15.740 13.517 519 H HIS 71 H HIS 71 -16.888 -16.996 11.487 520 HA HIS 71 HA HIS 71 -18.278 -19.585 11.149 521 HB2 HIS 71 2HB HIS 71 -16.057 -19.866 10.097 522 HB3 HIS 71 1HB HIS 71 -15.269 -19.228 11.535 523 HD1 HIS 71 HD1 HIS 71 -14.565 -20.928 13.250 524 HD2 HIS 71 HD2 HIS 71 -17.388 -22.458 10.610 525 HE1 HIS 71 HE1 HIS 71 -14.777 -23.365 13.811 526 HE2 HIS 71 HE2 HIS 71 -16.326 -24.288 12.072 527 H HIS 72 H HIS 72 -19.339 -19.934 13.016 528 HA HIS 72 HA HIS 72 -18.936 -18.611 15.449 529 HB2 HIS 72 2HB HIS 72 -20.409 -20.420 16.447 530 HB3 HIS 72 1HB HIS 72 -21.081 -19.643 15.024 531 HD1 HIS 72 HD1 HIS 72 -21.702 -21.113 13.076 532 HD2 HIS 72 HD2 HIS 72 -19.483 -23.141 15.942 533 HE1 HIS 72 HE1 HIS 72 -21.740 -23.522 12.390 534 HE2 HIS 72 HE2 HIS 72 -20.434 -24.727 14.162 535 H HIS 73 H HIS 73 -17.630 -18.999 17.174 536 HA HIS 73 HA HIS 73 -15.855 -19.666 18.383 537 HB2 HIS 73 2HB HIS 73 -17.167 -21.655 18.938 538 HB3 HIS 73 1HB HIS 73 -16.677 -22.435 17.441 539 HD1 HIS 73 HD1 HIS 73 -14.267 -23.385 17.310 540 HD2 HIS 73 HD2 HIS 73 -15.251 -21.792 21.009 541 HE1 HIS 73 HE1 HIS 73 -12.491 -24.197 18.881 542 HE2 HIS 73 HE2 HIS 73 -13.239 -23.388 21.148 Start of MODEL 2 1 H1 MET 1 1H MET 1 7.811 11.430 -0.329 2 H2 MET 1 2H MET 1 6.517 10.357 -0.333 3 H3 MET 1 3H MET 1 6.355 11.882 -1.039 4 HA MET 1 HA MET 1 8.001 11.333 -2.679 5 HB2 MET 1 2HB MET 1 8.833 9.023 -2.881 6 HB3 MET 1 1HB MET 1 9.291 9.735 -1.344 7 HG2 MET 1 2HG MET 1 6.998 7.789 -1.710 8 HG3 MET 1 1HG MET 1 8.621 7.355 -1.169 9 HE1 MET 1 3HE MET 1 6.674 6.919 2.141 10 HE2 MET 1 1HE MET 1 7.752 6.192 0.947 11 HE3 MET 1 2HE MET 1 6.070 6.536 0.529 12 H LEU 2 H LEU 2 7.281 10.599 -4.700 13 HA LEU 2 HA LEU 2 4.425 10.196 -4.958 14 HB2 LEU 2 2HB LEU 2 5.632 11.695 -6.513 15 HB3 LEU 2 1HB LEU 2 6.645 10.364 -7.041 16 HG LEU 2 HG LEU 2 4.521 9.233 -7.933 17 HD11 LEU 2 1HD1 LEU 2 2.561 10.625 -8.371 18 HD12 LEU 2 2HD1 LEU 2 3.295 11.962 -7.477 19 HD13 LEU 2 3HD1 LEU 2 2.864 10.466 -6.642 20 HD21 LEU 2 3HD2 LEU 2 5.323 11.871 -9.179 21 HD22 LEU 2 1HD2 LEU 2 4.477 10.552 -9.998 22 HD23 LEU 2 2HD2 LEU 2 6.122 10.315 -9.411 23 H VAL 3 H VAL 3 3.625 8.206 -4.716 24 HA VAL 3 HA VAL 3 5.065 5.805 -5.752 25 HB VAL 3 HB VAL 3 3.837 4.473 -4.130 26 HG11 VAL 3 1HG1 VAL 3 4.696 5.394 -1.991 27 HG12 VAL 3 2HG1 VAL 3 4.986 6.946 -2.779 28 HG13 VAL 3 3HG1 VAL 3 5.884 5.515 -3.289 29 HG21 VAL 3 3HG2 VAL 3 1.669 5.636 -4.159 30 HG22 VAL 3 1HG2 VAL 3 2.367 7.004 -3.288 31 HG23 VAL 3 2HG2 VAL 3 2.233 5.427 -2.501 32 H THR 4 H THR 4 3.190 3.982 -6.297 33 HA THR 4 HA THR 4 1.099 5.345 -7.942 34 HB THR 4 HB THR 4 2.506 2.729 -8.649 35 HG1 THR 4 HG1 THR 4 3.996 4.305 -8.970 36 HG21 THR 4 3HG2 THR 4 1.436 3.031 -10.865 37 HG22 THR 4 1HG2 THR 4 0.617 4.480 -10.277 38 HG23 THR 4 2HG2 THR 4 0.219 2.901 -9.591 39 H ILE 5 H ILE 5 -0.707 5.115 -6.752 40 HA ILE 5 HA ILE 5 -1.258 2.643 -5.252 41 HB ILE 5 HB ILE 5 -2.680 5.348 -5.145 42 HG12 ILE 5 2HG1 ILE 5 -0.729 4.104 -3.144 43 HG13 ILE 5 1HG1 ILE 5 -0.314 5.378 -4.286 44 HG21 ILE 5 1HG2 ILE 5 -3.803 4.479 -3.113 45 HG22 ILE 5 2HG2 ILE 5 -3.022 2.911 -3.339 46 HG23 ILE 5 3HG2 ILE 5 -4.195 3.493 -4.523 47 HD11 ILE 5 3HD1 ILE 5 -1.892 6.883 -3.195 48 HD12 ILE 5 1HD1 ILE 5 -0.687 6.263 -2.066 49 HD13 ILE 5 2HD1 ILE 5 -2.324 5.610 -2.049 50 H ASN 6 H ASN 6 -2.447 1.136 -6.259 51 HA ASN 6 HA ASN 6 -4.004 0.012 -7.448 52 HB2 ASN 6 2HB ASN 6 -5.596 2.599 -7.164 53 HB3 ASN 6 1HB ASN 6 -6.271 1.079 -7.734 54 HD21 ASN 6 1HD2 ASN 6 -7.768 0.988 -6.059 55 HD22 ASN 6 2HD2 ASN 6 -7.321 0.654 -4.424 56 H GLY 7 H GLY 7 -1.992 1.708 -8.893 57 HA2 GLY 7 2HA GLY 7 -1.435 1.632 -11.171 58 HA3 GLY 7 1HA GLY 7 -3.125 1.433 -11.592 59 H GLU 8 H GLU 8 -3.057 3.923 -9.435 60 HA GLU 8 HA GLU 8 -2.428 6.037 -11.429 61 HB2 GLU 8 2HB GLU 8 -4.496 6.080 -9.187 62 HB3 GLU 8 1HB GLU 8 -4.052 7.480 -10.163 63 HG2 GLU 8 2HG GLU 8 -4.856 6.264 -12.192 64 HG3 GLU 8 1HG GLU 8 -5.396 4.944 -11.147 65 H GLN 9 H GLN 9 -0.794 7.397 -10.858 66 HA GLN 9 HA GLN 9 0.691 6.942 -8.467 67 HB2 GLN 9 2HB GLN 9 0.997 9.143 -10.545 68 HB3 GLN 9 1HB GLN 9 2.149 8.801 -9.250 69 HG2 GLN 9 2HG GLN 9 2.380 6.461 -10.235 70 HG3 GLN 9 1HG GLN 9 1.452 7.040 -11.619 71 HE21 GLN 9 1HE2 GLN 9 4.463 7.264 -9.890 72 HE22 GLN 9 2HE2 GLN 9 5.346 8.091 -11.123 73 H ARG 10 H ARG 10 0.759 8.026 -6.607 74 HA ARG 10 HA ARG 10 -0.472 10.659 -6.238 75 HB2 ARG 10 2HB ARG 10 -2.299 9.028 -5.721 76 HB3 ARG 10 1HB ARG 10 -1.250 8.204 -4.569 77 HG2 ARG 10 2HG ARG 10 -1.218 10.227 -3.141 78 HG3 ARG 10 1HG ARG 10 -2.246 11.070 -4.307 79 HD2 ARG 10 2HD ARG 10 -4.021 9.366 -3.928 80 HD3 ARG 10 1HD ARG 10 -2.992 8.582 -2.731 81 HE ARG 10 HE ARG 10 -3.265 11.186 -1.885 82 HH11 ARG 10 1HH1 ARG 10 -5.513 8.544 -2.551 83 HH12 ARG 10 2HH1 ARG 10 -6.671 9.090 -1.387 84 HH21 ARG 10 1HH2 ARG 10 -4.816 11.863 -0.361 85 HH22 ARG 10 2HH2 ARG 10 -6.276 10.956 -0.150 86 H GLU 11 H GLU 11 0.672 11.838 -4.752 87 HA GLU 11 HA GLU 11 3.186 10.798 -3.761 88 HB2 GLU 11 2HB GLU 11 3.068 13.058 -4.743 89 HB3 GLU 11 1HB GLU 11 1.903 13.556 -3.517 90 HG2 GLU 11 2HG GLU 11 3.610 13.231 -1.755 91 HG3 GLU 11 1HG GLU 11 4.773 12.709 -2.975 92 H VAL 12 H VAL 12 3.411 9.929 -1.800 93 HA VAL 12 HA VAL 12 1.652 10.724 0.456 94 HB VAL 12 HB VAL 12 1.522 8.423 1.253 95 HG11 VAL 12 1HG1 VAL 12 0.762 8.549 -1.692 96 HG12 VAL 12 2HG1 VAL 12 -0.222 9.079 -0.324 97 HG13 VAL 12 3HG1 VAL 12 0.153 7.368 -0.529 98 HG21 VAL 12 3HG2 VAL 12 3.212 7.597 -1.141 99 HG22 VAL 12 1HG2 VAL 12 2.431 6.486 -0.008 100 HG23 VAL 12 2HG2 VAL 12 3.707 7.567 0.552 101 H GLN 13 H GLN 13 2.701 10.323 2.598 102 HA GLN 13 HA GLN 13 5.674 10.265 2.462 103 HB2 GLN 13 2HB GLN 13 5.663 11.800 4.522 104 HB3 GLN 13 1HB GLN 13 5.258 12.530 2.984 105 HG2 GLN 13 2HG GLN 13 3.867 13.432 4.775 106 HG3 GLN 13 1HG GLN 13 2.901 12.592 3.573 107 HE21 GLN 13 1HE2 GLN 13 4.165 12.440 6.851 108 HE22 GLN 13 2HE2 GLN 13 3.042 11.261 7.430 109 H SER 14 H SER 14 3.009 8.644 3.451 110 HA SER 14 HA SER 14 3.697 7.662 6.020 111 HB2 SER 14 2HB SER 14 2.071 5.788 5.364 112 HB3 SER 14 1HB SER 14 1.431 7.429 5.267 113 HG SER 14 HG SER 14 2.428 5.882 3.107 114 H ALA 15 H ALA 15 5.567 6.679 6.405 115 HA ALA 15 HA ALA 15 7.140 5.344 4.423 116 HB1 ALA 15 3HB ALA 15 7.615 5.582 7.413 117 HB2 ALA 15 1HB ALA 15 8.179 6.701 6.168 118 HB3 ALA 15 2HB ALA 15 8.793 5.050 6.209 119 H SER 16 H SER 16 4.781 4.208 6.694 120 HA SER 16 HA SER 16 5.522 1.380 6.126 121 HB2 SER 16 2HB SER 16 4.170 0.781 8.118 122 HB3 SER 16 1HB SER 16 5.457 1.903 8.556 123 HG SER 16 HG SER 16 3.964 3.153 9.302 124 H VAL 17 H VAL 17 3.875 -0.007 5.431 125 HA VAL 17 HA VAL 17 1.932 1.109 3.688 126 HB VAL 17 HB VAL 17 2.380 -1.776 4.595 127 HG11 VAL 17 1HG1 VAL 17 0.033 -1.559 3.886 128 HG12 VAL 17 2HG1 VAL 17 0.951 -2.486 2.699 129 HG13 VAL 17 3HG1 VAL 17 0.540 -0.800 2.374 130 HG21 VAL 17 3HG2 VAL 17 3.392 -2.062 2.347 131 HG22 VAL 17 1HG2 VAL 17 4.228 -0.812 3.276 132 HG23 VAL 17 2HG2 VAL 17 3.098 -0.356 1.998 133 H ALA 18 H ALA 18 1.779 -0.170 7.001 134 HA ALA 18 HA ALA 18 -1.013 -0.336 7.331 135 HB1 ALA 18 3HB ALA 18 1.081 0.354 9.424 136 HB2 ALA 18 1HB ALA 18 0.551 -1.269 8.975 137 HB3 ALA 18 2HB ALA 18 -0.576 -0.162 9.758 138 H ALA 19 H ALA 19 1.243 2.372 7.920 139 HA ALA 19 HA ALA 19 -0.588 4.309 8.781 140 HB1 ALA 19 3HB ALA 19 1.137 5.956 8.155 141 HB2 ALA 19 1HB ALA 19 1.993 4.719 7.235 142 HB3 ALA 19 2HB ALA 19 1.850 4.573 8.990 143 H LEU 20 H LEU 20 0.540 3.461 5.509 144 HA LEU 20 HA LEU 20 -0.852 5.466 4.097 145 HB2 LEU 20 2HB LEU 20 1.052 4.183 3.148 146 HB3 LEU 20 1HB LEU 20 0.054 2.735 3.100 147 HG LEU 20 HG LEU 20 -1.429 3.763 1.415 148 HD11 LEU 20 1HD1 LEU 20 -1.320 6.090 2.125 149 HD12 LEU 20 2HD1 LEU 20 -0.950 5.938 0.411 150 HD13 LEU 20 3HD1 LEU 20 0.355 6.205 1.573 151 HD21 LEU 20 3HD2 LEU 20 0.106 3.872 -0.482 152 HD22 LEU 20 1HD2 LEU 20 0.517 2.539 0.594 153 HD23 LEU 20 2HD2 LEU 20 1.483 4.020 0.619 154 H MET 21 H MET 21 -1.799 2.108 4.903 155 HA MET 21 HA MET 21 -4.209 2.041 3.420 156 HB2 MET 21 2HB MET 21 -3.397 0.441 5.889 157 HB3 MET 21 1HB MET 21 -4.810 0.089 4.900 158 HG2 MET 21 2HG MET 21 -1.952 0.017 3.906 159 HG3 MET 21 1HG MET 21 -2.877 -1.390 4.416 160 HE1 MET 21 3HE MET 21 -4.558 -2.650 2.936 161 HE2 MET 21 1HE MET 21 -5.409 -1.930 1.569 162 HE3 MET 21 2HE MET 21 -5.673 -1.307 3.198 163 H THR 22 H THR 22 -3.406 3.307 6.605 164 HA THR 22 HA THR 22 -6.091 3.734 7.506 165 HB THR 22 HB THR 22 -3.583 5.174 8.467 166 HG1 THR 22 HG1 THR 22 -2.999 3.234 9.023 167 HG21 THR 22 3HG2 THR 22 -4.770 5.279 10.632 168 HG22 THR 22 1HG2 THR 22 -6.171 4.480 9.916 169 HG23 THR 22 2HG2 THR 22 -5.709 6.098 9.381 170 H GLU 23 H GLU 23 -3.694 5.791 5.844 171 HA GLU 23 HA GLU 23 -5.199 8.186 5.781 172 HB2 GLU 23 2HB GLU 23 -3.226 7.224 3.662 173 HB3 GLU 23 1HB GLU 23 -3.713 8.887 3.968 174 HG2 GLU 23 2HG GLU 23 -1.958 7.111 5.675 175 HG3 GLU 23 1HG GLU 23 -1.514 8.599 4.848 176 H LEU 24 H LEU 24 -5.124 5.347 3.718 177 HA LEU 24 HA LEU 24 -6.975 6.468 1.747 178 HB2 LEU 24 2HB LEU 24 -5.539 3.785 1.840 179 HB3 LEU 24 1HB LEU 24 -6.454 4.412 0.473 180 HG LEU 24 HG LEU 24 -3.885 5.621 1.586 181 HD11 LEU 24 1HD1 LEU 24 -4.318 4.101 -0.992 182 HD12 LEU 24 2HD1 LEU 24 -3.466 3.520 0.441 183 HD13 LEU 24 3HD1 LEU 24 -2.819 4.881 -0.469 184 HD21 LEU 24 3HD2 LEU 24 -3.910 7.104 -0.364 185 HD22 LEU 24 1HD2 LEU 24 -5.307 7.374 0.671 186 HD23 LEU 24 2HD2 LEU 24 -5.491 6.477 -0.841 187 H ASP 25 H ASP 25 -7.249 4.847 4.669 188 HA ASP 25 HA ASP 25 -9.000 4.129 5.859 189 HB2 ASP 25 2HB ASP 25 -10.601 5.298 3.560 190 HB3 ASP 25 1HB ASP 25 -11.368 4.637 5.001 191 H CYS 26 H CYS 26 -7.701 2.307 4.060 192 HA CYS 26 HA CYS 26 -9.773 0.223 3.686 193 HB2 CYS 26 2HB CYS 26 -7.091 0.569 2.277 194 HB3 CYS 26 1HB CYS 26 -8.242 -0.737 1.990 195 HG CYS 26 HG CYS 26 -9.527 2.321 1.625 196 H THR 27 H THR 27 -8.125 1.004 6.139 197 HA THR 27 HA THR 27 -6.224 -1.183 6.471 198 HB THR 27 HB THR 27 -5.531 1.032 7.267 199 HG1 THR 27 HG1 THR 27 -5.898 -0.409 9.659 200 HG21 THR 27 3HG2 THR 27 -7.822 0.922 9.263 201 HG22 THR 27 1HG2 THR 27 -7.703 2.017 7.878 202 HG23 THR 27 2HG2 THR 27 -6.553 2.145 9.210 203 H ASP 28 H ASP 28 -8.148 -2.622 6.116 204 HA ASP 28 HA ASP 28 -9.335 -3.471 8.682 205 HB2 ASP 28 2HB ASP 28 -10.943 -1.948 7.488 206 HB3 ASP 28 1HB ASP 28 -10.906 -3.021 6.098 207 H GLY 29 H GLY 29 -10.234 -5.694 8.540 208 HA2 GLY 29 2HA GLY 29 -8.264 -7.444 7.448 209 HA3 GLY 29 1HA GLY 29 -9.683 -7.912 8.351 210 H HIS 30 H HIS 30 -11.424 -6.476 6.331 211 HA HIS 30 HA HIS 30 -11.837 -8.649 4.487 212 HB2 HIS 30 2HB HIS 30 -13.044 -5.843 4.551 213 HB3 HIS 30 1HB HIS 30 -13.543 -7.109 3.428 214 HD1 HIS 30 HD1 HIS 30 -14.298 -5.759 6.716 215 HD2 HIS 30 HD2 HIS 30 -14.711 -9.437 4.828 216 HE1 HIS 30 HE1 HIS 30 -16.010 -7.012 8.050 217 HE2 HIS 30 HE2 HIS 30 -16.332 -9.182 6.812 218 H TYR 31 H TYR 31 -10.010 -5.712 4.465 219 HA TYR 31 HA TYR 31 -9.480 -5.773 1.581 220 HB2 TYR 31 2HB TYR 31 -8.481 -3.869 3.754 221 HB3 TYR 31 1HB TYR 31 -8.091 -3.728 2.044 222 HD1 TYR 31 HD1 TYR 31 -10.809 -3.465 4.536 223 HD2 TYR 31 HD2 TYR 31 -9.673 -2.736 0.487 224 HE1 TYR 31 HE1 TYR 31 -12.822 -2.108 4.223 225 HE2 TYR 31 HE2 TYR 31 -11.695 -1.367 0.166 226 HH TYR 31 HH TYR 31 -13.612 -0.274 2.725 227 H ALA 32 H ALA 32 -7.377 -5.868 0.787 228 HA ALA 32 HA ALA 32 -5.153 -6.692 2.536 229 HB1 ALA 32 3HB ALA 32 -5.814 -7.906 -0.184 230 HB2 ALA 32 1HB ALA 32 -5.953 -8.725 1.373 231 HB3 ALA 32 2HB ALA 32 -4.367 -8.242 0.771 232 H VAL 33 H VAL 33 -3.091 -6.507 0.905 233 HA VAL 33 HA VAL 33 -3.322 -4.211 -0.916 234 HB VAL 33 HB VAL 33 -2.784 -3.312 1.401 235 HG11 VAL 33 1HG1 VAL 33 -0.540 -3.624 2.327 236 HG12 VAL 33 2HG1 VAL 33 -0.140 -4.747 1.027 237 HG13 VAL 33 3HG1 VAL 33 -1.391 -5.162 2.202 238 HG21 VAL 33 3HG2 VAL 33 -0.660 -2.836 -0.714 239 HG22 VAL 33 1HG2 VAL 33 -0.996 -1.783 0.665 240 HG23 VAL 33 2HG2 VAL 33 -2.216 -2.010 -0.591 241 H ALA 34 H ALA 34 -1.456 -4.015 -2.308 242 HA ALA 34 HA ALA 34 0.398 -6.327 -2.340 243 HB1 ALA 34 3HB ALA 34 -1.026 -5.167 -4.761 244 HB2 ALA 34 1HB ALA 34 -1.369 -6.723 -4.002 245 HB3 ALA 34 2HB ALA 34 0.190 -6.450 -4.785 246 H LEU 35 H LEU 35 2.322 -5.465 -1.913 247 HA LEU 35 HA LEU 35 3.140 -2.823 -2.912 248 HB2 LEU 35 2HB LEU 35 3.734 -3.412 -0.586 249 HB3 LEU 35 1HB LEU 35 4.581 -4.846 -1.137 250 HG LEU 35 HG LEU 35 6.212 -3.302 -2.367 251 HD11 LEU 35 1HD1 LEU 35 4.835 -1.316 -2.529 252 HD12 LEU 35 2HD1 LEU 35 6.341 -0.958 -1.688 253 HD13 LEU 35 3HD1 LEU 35 4.840 -1.135 -0.772 254 HD21 LEU 35 3HD2 LEU 35 6.103 -2.960 0.639 255 HD22 LEU 35 1HD2 LEU 35 7.523 -2.744 -0.393 256 HD23 LEU 35 2HD2 LEU 35 6.793 -4.339 -0.220 257 H ASN 36 H ASN 36 3.794 -2.800 -4.952 258 HA ASN 36 HA ASN 36 4.564 -3.327 -7.008 259 HB2 ASN 36 2HB ASN 36 6.842 -4.573 -5.399 260 HB3 ASN 36 1HB ASN 36 6.909 -4.174 -7.115 261 HD21 ASN 36 1HD2 ASN 36 7.052 -2.901 -3.900 262 HD22 ASN 36 2HD2 ASN 36 7.434 -1.278 -4.347 263 H TYR 37 H TYR 37 2.617 -4.809 -6.918 264 HA TYR 37 HA TYR 37 1.581 -6.553 -7.916 265 HB2 TYR 37 2HB TYR 37 4.335 -7.612 -8.672 266 HB3 TYR 37 1HB TYR 37 2.807 -8.102 -9.388 267 HD1 TYR 37 HD1 TYR 37 1.495 -6.353 -10.756 268 HD2 TYR 37 HD2 TYR 37 5.551 -5.752 -9.550 269 HE1 TYR 37 HE1 TYR 37 1.757 -4.607 -12.463 270 HE2 TYR 37 HE2 TYR 37 5.806 -4.008 -11.247 271 HH TYR 37 HH TYR 37 3.180 -2.607 -12.840 272 H ASP 38 H ASP 38 3.221 -6.821 -5.160 273 HA ASP 38 HA ASP 38 2.890 -9.752 -4.792 274 HB2 ASP 38 2HB ASP 38 5.260 -9.206 -4.823 275 HB3 ASP 38 1HB ASP 38 5.021 -7.846 -3.732 276 H VAL 39 H VAL 39 1.323 -10.195 -3.391 277 HA VAL 39 HA VAL 39 -0.056 -8.161 -1.947 278 HB VAL 39 HB VAL 39 -0.436 -11.188 -1.842 279 HG11 VAL 39 1HG1 VAL 39 -1.455 -10.101 0.126 280 HG12 VAL 39 2HG1 VAL 39 -2.704 -10.699 -0.968 281 HG13 VAL 39 3HG1 VAL 39 -2.321 -8.975 -0.925 282 HG21 VAL 39 3HG2 VAL 39 -2.270 -10.806 -3.464 283 HG22 VAL 39 1HG2 VAL 39 -0.710 -10.297 -4.118 284 HG23 VAL 39 2HG2 VAL 39 -1.857 -9.090 -3.527 285 H VAL 40 H VAL 40 0.452 -7.407 -0.036 286 HA VAL 40 HA VAL 40 2.204 -8.815 1.836 287 HB VAL 40 HB VAL 40 1.069 -5.979 1.920 288 HG11 VAL 40 1HG1 VAL 40 2.699 -5.522 3.717 289 HG12 VAL 40 2HG1 VAL 40 3.198 -7.213 3.705 290 HG13 VAL 40 3HG1 VAL 40 1.558 -6.784 4.195 291 HG21 VAL 40 3HG2 VAL 40 3.859 -6.902 1.154 292 HG22 VAL 40 1HG2 VAL 40 3.336 -5.221 1.299 293 HG23 VAL 40 2HG2 VAL 40 2.638 -6.259 0.051 294 HA PRO 41 HA PRO 41 -1.595 -10.029 4.107 295 HB2 PRO 41 2HB PRO 41 -0.369 -11.322 6.210 296 HB3 PRO 41 1HB PRO 41 -0.522 -12.052 4.596 297 HG2 PRO 41 2HG PRO 41 1.845 -10.656 5.811 298 HG3 PRO 41 1HG PRO 41 1.796 -12.161 4.864 299 HD2 PRO 41 2HD PRO 41 2.510 -9.768 3.765 300 HD3 PRO 41 1HD PRO 41 1.688 -11.034 2.825 301 H ARG 42 H ARG 42 -2.596 -9.435 6.109 302 HA ARG 42 HA ARG 42 -2.327 -6.734 6.666 303 HB2 ARG 42 2HB ARG 42 -4.454 -7.911 6.896 304 HB3 ARG 42 1HB ARG 42 -3.837 -8.838 8.258 305 HG2 ARG 42 2HG ARG 42 -3.718 -6.818 9.633 306 HG3 ARG 42 1HG ARG 42 -4.193 -5.819 8.254 307 HD2 ARG 42 2HD ARG 42 -6.056 -6.266 9.851 308 HD3 ARG 42 1HD ARG 42 -6.393 -6.821 8.209 309 HE ARG 42 HE ARG 42 -5.391 -9.041 9.396 310 HH11 ARG 42 2HH1 ARG 42 -7.981 -6.876 10.430 311 HH12 ARG 42 1HH1 ARG 42 -8.848 -8.135 11.249 312 HH21 ARG 42 2HH2 ARG 42 -6.570 -10.668 10.377 313 HH22 ARG 42 1HH2 ARG 42 -8.044 -10.292 11.218 314 H GLY 43 H GLY 43 -1.212 -9.484 8.584 315 HA2 GLY 43 2HA GLY 43 -0.244 -7.960 10.811 316 HA3 GLY 43 1HA GLY 43 0.045 -9.653 10.489 317 H LYS 44 H LYS 44 0.932 -7.721 7.836 318 HA LYS 44 HA LYS 44 3.697 -7.346 8.803 319 HB2 LYS 44 2HB LYS 44 2.705 -8.321 6.111 320 HB3 LYS 44 1HB LYS 44 4.307 -7.620 6.286 321 HG2 LYS 44 2HG LYS 44 3.525 -9.913 8.073 322 HG3 LYS 44 1HG LYS 44 3.930 -10.238 6.392 323 HD2 LYS 44 2HD LYS 44 5.898 -10.574 7.735 324 HD3 LYS 44 1HD LYS 44 6.151 -9.147 6.739 325 HE2 LYS 44 2HE LYS 44 7.035 -8.814 8.992 326 HE3 LYS 44 1HE LYS 44 5.681 -7.721 8.709 327 HZ1 LYS 44 3HZ LYS 44 4.259 -9.210 9.964 328 HZ2 LYS 44 1HZ LYS 44 5.585 -8.734 10.897 329 HZ3 LYS 44 2HZ LYS 44 5.545 -10.278 10.213 330 H TRP 45 H TRP 45 0.913 -5.814 7.488 331 HA TRP 45 HA TRP 45 1.810 -3.870 5.742 332 HB2 TRP 45 2HB TRP 45 -0.339 -3.559 7.884 333 HB3 TRP 45 1HB TRP 45 -0.078 -2.392 6.596 334 HD1 TRP 45 HD1 TRP 45 0.335 -5.471 4.802 335 HE1 TRP 45 HE1 TRP 45 -1.856 -6.283 3.739 336 HE3 TRP 45 HE3 TRP 45 -2.972 -2.575 7.416 337 HZ2 TRP 45 HZ2 TRP 45 -4.617 -5.760 3.963 338 HZ3 TRP 45 HZ3 TRP 45 -5.375 -2.791 6.930 339 HH2 TRP 45 HH2 TRP 45 -6.185 -4.352 5.234 340 H ASP 46 H ASP 46 1.936 -3.736 9.255 341 HA ASP 46 HA ASP 46 2.846 -1.088 9.641 342 HB2 ASP 46 2HB ASP 46 1.802 -2.450 11.419 343 HB3 ASP 46 1HB ASP 46 3.161 -3.562 11.401 344 H GLU 47 H GLU 47 4.585 -4.169 9.438 345 HA GLU 47 HA GLU 47 7.212 -2.909 9.712 346 HB2 GLU 47 2HB GLU 47 6.383 -5.842 9.483 347 HB3 GLU 47 1HB GLU 47 8.041 -5.287 9.732 348 HG2 GLU 47 2HG GLU 47 7.475 -4.347 11.901 349 HG3 GLU 47 1HG GLU 47 5.761 -4.697 11.659 350 H THR 48 H THR 48 5.180 -3.356 7.137 351 HA THR 48 HA THR 48 7.324 -3.924 5.185 352 HB THR 48 HB THR 48 4.315 -3.615 4.754 353 HG1 THR 48 HG1 THR 48 4.762 -5.552 5.764 354 HG21 THR 48 3HG2 THR 48 6.455 -4.526 2.793 355 HG22 THR 48 1HG2 THR 48 5.593 -2.986 2.723 356 HG23 THR 48 2HG2 THR 48 4.718 -4.500 2.487 357 HA PRO 49 HA PRO 49 7.465 0.604 4.795 358 HB2 PRO 49 2HB PRO 49 9.824 0.839 3.489 359 HB3 PRO 49 1HB PRO 49 9.752 0.283 5.176 360 HG2 PRO 49 2HG PRO 49 10.157 -1.325 2.681 361 HG3 PRO 49 1HG PRO 49 10.904 -1.519 4.281 362 HD2 PRO 49 2HD PRO 49 8.705 -2.993 3.321 363 HD3 PRO 49 1HD PRO 49 9.200 -2.880 5.022 364 H VAL 50 H VAL 50 6.880 2.121 3.296 365 HA VAL 50 HA VAL 50 6.053 1.320 0.619 366 HB VAL 50 HB VAL 50 5.794 4.005 2.073 367 HG11 VAL 50 1HG1 VAL 50 4.144 4.607 0.317 368 HG12 VAL 50 2HG1 VAL 50 4.533 3.119 -0.548 369 HG13 VAL 50 3HG1 VAL 50 5.762 4.370 -0.347 370 HG21 VAL 50 3HG2 VAL 50 4.484 2.228 3.164 371 HG22 VAL 50 1HG2 VAL 50 3.707 1.836 1.626 372 HG23 VAL 50 2HG2 VAL 50 3.420 3.403 2.386 373 H THR 51 H THR 51 7.144 1.896 -1.239 374 HA THR 51 HA THR 51 9.833 3.089 -0.917 375 HB THR 51 HB THR 51 8.837 1.289 -3.183 376 HG1 THR 51 HG1 THR 51 8.737 0.129 -1.228 377 HG21 THR 51 3HG2 THR 51 10.869 2.613 -3.722 378 HG22 THR 51 1HG2 THR 51 11.234 0.884 -3.616 379 HG23 THR 51 2HG2 THR 51 11.671 1.962 -2.291 380 H ALA 52 H ALA 52 10.491 4.723 -2.404 381 HA ALA 52 HA ALA 52 8.531 6.437 -3.521 382 HB1 ALA 52 3HB ALA 52 10.693 7.234 -2.675 383 HB2 ALA 52 1HB ALA 52 10.463 7.724 -4.356 384 HB3 ALA 52 2HB ALA 52 11.538 6.376 -3.966 385 H GLY 53 H GLY 53 7.417 6.094 -5.349 386 HA2 GLY 53 2HA GLY 53 6.950 5.710 -7.567 387 HA3 GLY 53 1HA GLY 53 8.659 5.423 -7.861 388 H ASP 54 H ASP 54 6.730 3.684 -5.473 389 HA ASP 54 HA ASP 54 7.228 1.145 -6.819 390 HB2 ASP 54 2HB ASP 54 6.253 0.102 -4.820 391 HB3 ASP 54 1HB ASP 54 7.452 1.298 -4.355 392 H GLU 55 H GLU 55 4.975 -0.355 -6.312 393 HA GLU 55 HA GLU 55 2.625 1.136 -7.296 394 HB2 GLU 55 2HB GLU 55 3.685 -0.222 -9.179 395 HB3 GLU 55 1HB GLU 55 3.304 -1.680 -8.264 396 HG2 GLU 55 2HG GLU 55 0.866 -0.935 -8.293 397 HG3 GLU 55 1HG GLU 55 1.345 0.336 -9.417 398 H ILE 56 H ILE 56 1.684 1.223 -5.272 399 HA ILE 56 HA ILE 56 1.141 -1.271 -3.796 400 HB ILE 56 HB ILE 56 0.852 1.666 -3.042 401 HG12 ILE 56 2HG1 ILE 56 2.560 -0.625 -1.985 402 HG13 ILE 56 1HG1 ILE 56 3.112 0.780 -2.887 403 HG21 ILE 56 1HG2 ILE 56 -1.111 0.494 -2.101 404 HG22 ILE 56 2HG2 ILE 56 -0.002 1.014 -0.833 405 HG23 ILE 56 3HG2 ILE 56 -0.041 -0.678 -1.330 406 HD11 ILE 56 3HD1 ILE 56 2.041 0.757 -0.071 407 HD12 ILE 56 1HD1 ILE 56 2.479 2.207 -0.984 408 HD13 ILE 56 2HD1 ILE 56 3.707 1.007 -0.595 409 H GLU 57 H GLU 57 -0.463 -2.310 -4.825 410 HA GLU 57 HA GLU 57 -2.941 -0.949 -5.626 411 HB2 GLU 57 2HB GLU 57 -1.872 -2.569 -7.191 412 HB3 GLU 57 1HB GLU 57 -2.059 -3.849 -5.998 413 HG2 GLU 57 2HG GLU 57 -4.504 -3.687 -6.166 414 HG3 GLU 57 1HG GLU 57 -4.358 -2.336 -7.291 415 H ILE 58 H ILE 58 -4.434 -0.735 -4.039 416 HA ILE 58 HA ILE 58 -4.544 -2.469 -1.734 417 HB ILE 58 HB ILE 58 -6.441 -0.256 -2.639 418 HG12 ILE 58 2HG1 ILE 58 -4.274 -0.311 -0.489 419 HG13 ILE 58 1HG1 ILE 58 -4.207 0.572 -2.013 420 HG21 ILE 58 1HG2 ILE 58 -6.433 -1.760 0.006 421 HG22 ILE 58 2HG2 ILE 58 -7.652 -1.920 -1.258 422 HG23 ILE 58 3HG2 ILE 58 -7.471 -0.391 -0.400 423 HD11 ILE 58 3HD1 ILE 58 -6.035 1.995 -1.289 424 HD12 ILE 58 1HD1 ILE 58 -4.703 2.020 -0.142 425 HD13 ILE 58 2HD1 ILE 58 -6.156 1.101 0.231 426 H LEU 59 H LEU 59 -5.752 -4.205 -1.528 427 HA LEU 59 HA LEU 59 -7.588 -5.030 -3.677 428 HB2 LEU 59 2HB LEU 59 -6.103 -6.649 -1.566 429 HB3 LEU 59 1HB LEU 59 -7.179 -7.330 -2.783 430 HG LEU 59 HG LEU 59 -4.585 -5.843 -3.381 431 HD11 LEU 59 1HD1 LEU 59 -3.665 -8.004 -4.023 432 HD12 LEU 59 2HD1 LEU 59 -5.153 -8.815 -3.516 433 HD13 LEU 59 3HD1 LEU 59 -4.139 -7.990 -2.327 434 HD21 LEU 59 3HD2 LEU 59 -6.171 -5.528 -5.174 435 HD22 LEU 59 1HD2 LEU 59 -6.533 -7.261 -5.231 436 HD23 LEU 59 2HD2 LEU 59 -4.931 -6.663 -5.695 437 H THR 60 H THR 60 -9.614 -5.635 -3.220 438 HA THR 60 HA THR 60 -10.505 -6.107 -0.467 439 HB THR 60 HB THR 60 -11.219 -3.827 -0.804 440 HG1 THR 60 HG1 THR 60 -13.604 -4.186 -0.935 441 HG21 THR 60 3HG2 THR 60 -12.525 -4.646 -3.422 442 HG22 THR 60 1HG2 THR 60 -11.067 -3.658 -3.267 443 HG23 THR 60 2HG2 THR 60 -12.614 -3.052 -2.675 444 HA PRO 61 HA PRO 61 -11.236 -9.400 -3.677 445 HB2 PRO 61 2HB PRO 61 -10.793 -11.558 -2.009 446 HB3 PRO 61 1HB PRO 61 -9.476 -10.651 -2.785 447 HG2 PRO 61 2HG PRO 61 -10.564 -10.349 0.014 448 HG3 PRO 61 1HG PRO 61 -8.869 -10.462 -0.526 449 HD2 PRO 61 2HD PRO 61 -9.988 -8.082 0.032 450 HD3 PRO 61 1HD PRO 61 -8.828 -8.252 -1.303 451 H ARG 62 H ARG 62 -13.386 -9.638 -4.103 452 HA ARG 62 HA ARG 62 -15.524 -9.554 -2.292 453 HB2 ARG 62 2HB ARG 62 -15.836 -9.147 -4.706 454 HB3 ARG 62 1HB ARG 62 -15.423 -10.821 -5.068 455 HG2 ARG 62 2HG ARG 62 -17.450 -11.591 -3.888 456 HG3 ARG 62 1HG ARG 62 -17.855 -9.924 -3.476 457 HD2 ARG 62 2HD ARG 62 -17.696 -11.078 -6.276 458 HD3 ARG 62 1HD ARG 62 -19.177 -10.739 -5.379 459 HE ARG 62 HE ARG 62 -17.270 -8.717 -6.380 460 HH11 ARG 62 2HH1 ARG 62 -20.553 -9.536 -5.367 461 HH12 ARG 62 1HH1 ARG 62 -21.197 -7.993 -5.827 462 HH21 ARG 62 2HH2 ARG 62 -18.152 -6.715 -6.994 463 HH22 ARG 62 1HH2 ARG 62 -19.839 -6.405 -6.742 464 H GLN 63 H GLN 63 -13.877 -12.334 -3.782 465 HA GLN 63 HA GLN 63 -15.143 -14.347 -2.234 466 HB2 GLN 63 2HB GLN 63 -12.350 -14.513 -3.452 467 HB3 GLN 63 1HB GLN 63 -13.461 -15.837 -3.117 468 HG2 GLN 63 2HG GLN 63 -13.756 -13.720 -5.267 469 HG3 GLN 63 1HG GLN 63 -13.355 -15.418 -5.509 470 HE21 GLN 63 1HE2 GLN 63 -15.017 -16.974 -5.318 471 HE22 GLN 63 2HE2 GLN 63 -16.689 -16.528 -5.362 472 H GLY 64 H GLY 64 -15.094 -13.504 -0.070 473 HA2 GLY 64 2HA GLY 64 -12.470 -13.648 1.354 474 HA3 GLY 64 1HA GLY 64 -13.884 -12.748 1.895 475 H GLY 65 H GLY 65 -13.071 -16.049 0.905 476 HA2 GLY 65 2HA GLY 65 -13.538 -17.477 3.205 477 HA3 GLY 65 1HA GLY 65 -15.126 -17.327 2.455 478 H LEU 66 H LEU 66 -14.850 -19.728 2.420 479 HA LEU 66 HA LEU 66 -14.378 -21.738 1.507 480 HB2 LEU 66 2HB LEU 66 -14.384 -20.073 -1.027 481 HB3 LEU 66 1HB LEU 66 -14.565 -21.819 -0.983 482 HG LEU 66 HG LEU 66 -16.542 -19.762 0.106 483 HD11 LEU 66 1HD1 LEU 66 -16.809 -21.657 -2.244 484 HD12 LEU 66 2HD1 LEU 66 -16.579 -19.909 -2.327 485 HD13 LEU 66 3HD1 LEU 66 -18.061 -20.564 -1.635 486 HD21 LEU 66 3HD2 LEU 66 -16.768 -22.788 0.161 487 HD22 LEU 66 1HD2 LEU 66 -18.027 -21.639 0.628 488 HD23 LEU 66 2HD2 LEU 66 -16.536 -21.730 1.557 489 H GLU 67 H GLU 67 -12.250 -21.155 2.686 490 HA GLU 67 HA GLU 67 -9.907 -20.704 1.000 491 HB2 GLU 67 2HB GLU 67 -10.433 -20.663 3.985 492 HB3 GLU 67 1HB GLU 67 -8.778 -20.725 3.388 493 HG2 GLU 67 2HG GLU 67 -10.773 -18.565 2.614 494 HG3 GLU 67 1HG GLU 67 -9.628 -18.422 3.948 495 H HIS 68 H HIS 68 -10.524 -22.885 0.039 496 HA HIS 68 HA HIS 68 -9.841 -25.294 1.467 497 HB2 HIS 68 2HB HIS 68 -11.475 -25.145 -0.501 498 HB3 HIS 68 1HB HIS 68 -10.084 -24.949 -1.560 499 HD1 HIS 68 HD1 HIS 68 -11.940 -27.484 0.464 500 HD2 HIS 68 HD2 HIS 68 -8.583 -27.329 -1.971 501 HE1 HIS 68 HE1 HIS 68 -11.289 -29.870 0.054 502 HE2 HIS 68 HE2 HIS 68 -9.148 -29.729 -1.258 503 H HIS 69 H HIS 69 -8.289 -23.353 -1.093 504 HA HIS 69 HA HIS 69 -5.624 -24.339 -0.213 505 HB2 HIS 69 2HB HIS 69 -6.490 -22.990 -2.816 506 HB3 HIS 69 1HB HIS 69 -4.807 -23.223 -2.369 507 HD1 HIS 69 HD1 HIS 69 -3.778 -25.272 -3.269 508 HD2 HIS 69 HD2 HIS 69 -7.906 -25.628 -3.028 509 HE1 HIS 69 HE1 HIS 69 -4.324 -27.482 -4.318 510 HE2 HIS 69 HE2 HIS 69 -6.811 -27.737 -4.028 511 H HIS 70 H HIS 70 -5.835 -23.004 1.705 512 HA HIS 70 HA HIS 70 -6.173 -20.159 1.523 513 HB2 HIS 70 2HB HIS 70 -5.438 -20.134 3.943 514 HB3 HIS 70 1HB HIS 70 -6.819 -21.160 3.605 515 HD1 HIS 70 HD1 HIS 70 -3.080 -21.481 4.280 516 HD2 HIS 70 HD2 HIS 70 -6.562 -23.716 4.583 517 HE1 HIS 70 HE1 HIS 70 -2.455 -23.509 5.594 518 HE2 HIS 70 HE2 HIS 70 -4.592 -24.818 5.812 519 H HIS 71 H HIS 71 -4.743 -19.205 0.197 520 HA HIS 71 HA HIS 71 -1.930 -19.831 0.133 521 HB2 HIS 71 2HB HIS 71 -2.996 -19.158 -1.945 522 HB3 HIS 71 1HB HIS 71 -3.538 -17.637 -1.234 523 HD1 HIS 71 HD1 HIS 71 -1.999 -15.671 -1.523 524 HD2 HIS 71 HD2 HIS 71 -0.043 -19.274 -2.211 525 HE1 HIS 71 HE1 HIS 71 0.300 -15.056 -2.315 526 HE2 HIS 71 HE2 HIS 71 1.506 -17.247 -2.564 527 H HIS 72 H HIS 72 -0.790 -19.294 1.888 528 HA HIS 72 HA HIS 72 -1.051 -16.648 3.152 529 HB2 HIS 72 2HB HIS 72 0.574 -19.111 3.951 530 HB3 HIS 72 1HB HIS 72 0.657 -17.567 4.797 531 HD1 HIS 72 HD1 HIS 72 -0.247 -18.569 6.976 532 HD2 HIS 72 HD2 HIS 72 -2.838 -19.034 3.783 533 HE1 HIS 72 HE1 HIS 72 -2.392 -19.362 7.971 534 HE2 HIS 72 HE2 HIS 72 -3.994 -19.424 6.041 535 H HIS 73 H HIS 73 0.515 -15.115 3.038 536 HA HIS 73 HA HIS 73 2.770 -15.552 1.175 537 HB2 HIS 73 2HB HIS 73 1.337 -13.639 0.639 538 HB3 HIS 73 1HB HIS 73 1.546 -12.974 2.255 539 HD1 HIS 73 HD1 HIS 73 3.941 -12.027 2.838 540 HD2 HIS 73 HD2 HIS 73 3.387 -13.046 -1.149 541 HE1 HIS 73 HE1 HIS 73 5.806 -10.899 1.584 542 HE2 HIS 73 HE2 HIS 73 5.323 -11.389 -0.825 Start of MODEL 3 1 H1 MET 1 1H MET 1 5.594 10.006 -0.027 2 H2 MET 1 2H MET 1 5.398 11.619 -0.448 3 H3 MET 1 3H MET 1 6.829 11.125 0.287 4 HA MET 1 HA MET 1 7.119 11.499 -2.065 5 HB2 MET 1 2HB MET 1 8.272 9.413 -2.559 6 HB3 MET 1 1HB MET 1 8.497 9.819 -0.866 7 HG2 MET 1 2HG MET 1 6.568 7.749 -1.943 8 HG3 MET 1 1HG MET 1 8.123 7.424 -1.178 9 HE1 MET 1 3HE MET 1 5.580 5.932 -0.175 10 HE2 MET 1 1HE MET 1 5.762 6.106 1.568 11 HE3 MET 1 2HE MET 1 7.180 5.795 0.561 12 H LEU 2 H LEU 2 6.869 10.403 -4.245 13 HA LEU 2 HA LEU 2 4.052 9.992 -4.843 14 HB2 LEU 2 2HB LEU 2 5.519 11.484 -6.256 15 HB3 LEU 2 1HB LEU 2 6.457 10.074 -6.726 16 HG LEU 2 HG LEU 2 4.385 9.105 -7.792 17 HD11 LEU 2 1HD1 LEU 2 2.460 10.579 -8.192 18 HD12 LEU 2 2HD1 LEU 2 3.176 11.796 -7.135 19 HD13 LEU 2 3HD1 LEU 2 2.691 10.228 -6.482 20 HD21 LEU 2 3HD2 LEU 2 5.205 11.830 -8.837 21 HD22 LEU 2 1HD2 LEU 2 4.379 10.570 -9.761 22 HD23 LEU 2 2HD2 LEU 2 6.016 10.297 -9.168 23 H VAL 3 H VAL 3 3.166 8.047 -5.132 24 HA VAL 3 HA VAL 3 4.754 5.657 -5.880 25 HB VAL 3 HB VAL 3 3.412 4.289 -4.206 26 HG11 VAL 3 1HG1 VAL 3 4.747 4.883 -2.222 27 HG12 VAL 3 2HG1 VAL 3 5.203 6.415 -2.976 28 HG13 VAL 3 3HG1 VAL 3 5.724 4.886 -3.691 29 HG21 VAL 3 3HG2 VAL 3 2.320 5.442 -2.313 30 HG22 VAL 3 1HG2 VAL 3 1.550 5.834 -3.851 31 HG23 VAL 3 2HG2 VAL 3 2.626 7.003 -3.083 32 H THR 4 H THR 4 3.629 4.285 -7.323 33 HA THR 4 HA THR 4 1.251 5.363 -8.575 34 HB THR 4 HB THR 4 2.696 2.741 -9.171 35 HG1 THR 4 HG1 THR 4 3.597 4.108 -10.926 36 HG21 THR 4 3HG2 THR 4 1.694 2.938 -11.407 37 HG22 THR 4 1HG2 THR 4 0.849 4.404 -10.914 38 HG23 THR 4 2HG2 THR 4 0.437 2.857 -10.168 39 H ILE 5 H ILE 5 -0.534 5.146 -7.269 40 HA ILE 5 HA ILE 5 -1.062 2.570 -5.945 41 HB ILE 5 HB ILE 5 -2.533 5.231 -5.595 42 HG12 ILE 5 2HG1 ILE 5 -0.525 3.793 -3.809 43 HG13 ILE 5 1HG1 ILE 5 -0.246 5.292 -4.681 44 HG21 ILE 5 1HG2 ILE 5 -4.067 3.328 -5.172 45 HG22 ILE 5 2HG2 ILE 5 -3.689 4.177 -3.674 46 HG23 ILE 5 3HG2 ILE 5 -2.907 2.636 -4.032 47 HD11 ILE 5 3HD1 ILE 5 -1.904 6.413 -3.261 48 HD12 ILE 5 1HD1 ILE 5 -0.583 5.709 -2.335 49 HD13 ILE 5 2HD1 ILE 5 -2.155 4.911 -2.368 50 H ASN 6 H ASN 6 -1.891 1.172 -7.337 51 HA ASN 6 HA ASN 6 -3.350 0.052 -8.653 52 HB2 ASN 6 2HB ASN 6 -4.919 0.886 -6.826 53 HB3 ASN 6 1HB ASN 6 -5.374 2.212 -7.892 54 HD21 ASN 6 1HD2 ASN 6 -7.513 1.598 -8.021 55 HD22 ASN 6 2HD2 ASN 6 -8.047 0.158 -8.810 56 H GLY 7 H GLY 7 -1.628 1.878 -9.915 57 HA2 GLY 7 2HA GLY 7 -1.237 2.491 -12.107 58 HA3 GLY 7 1HA GLY 7 -2.926 2.213 -12.491 59 H GLU 8 H GLU 8 -2.563 4.193 -9.790 60 HA GLU 8 HA GLU 8 -2.549 6.707 -11.339 61 HB2 GLU 8 2HB GLU 8 -4.876 6.212 -10.694 62 HB3 GLU 8 1HB GLU 8 -4.397 5.956 -9.015 63 HG2 GLU 8 2HG GLU 8 -3.702 8.346 -8.880 64 HG3 GLU 8 1HG GLU 8 -4.269 8.586 -10.534 65 H GLN 9 H GLN 9 -0.675 7.638 -10.783 66 HA GLN 9 HA GLN 9 0.823 7.155 -8.427 67 HB2 GLN 9 2HB GLN 9 1.002 9.379 -10.500 68 HB3 GLN 9 1HB GLN 9 2.196 9.129 -9.231 69 HG2 GLN 9 2HG GLN 9 2.767 6.933 -10.144 70 HG3 GLN 9 1HG GLN 9 1.520 7.099 -11.381 71 HE21 GLN 9 1HE2 GLN 9 4.418 6.731 -11.672 72 HE22 GLN 9 2HE2 GLN 9 4.982 8.067 -12.610 73 H ARG 10 H ARG 10 0.496 7.959 -6.433 74 HA ARG 10 HA ARG 10 -0.968 10.488 -6.015 75 HB2 ARG 10 2HB ARG 10 -1.307 7.920 -4.411 76 HB3 ARG 10 1HB ARG 10 -2.054 9.471 -4.029 77 HG2 ARG 10 2HG ARG 10 -3.286 9.389 -6.190 78 HG3 ARG 10 1HG ARG 10 -2.578 7.801 -6.509 79 HD2 ARG 10 2HD ARG 10 -4.824 7.531 -5.634 80 HD3 ARG 10 1HD ARG 10 -3.653 6.943 -4.453 81 HE ARG 10 HE ARG 10 -4.152 8.736 -3.050 82 HH11 ARG 10 1HH1 ARG 10 -6.079 8.941 -6.007 83 HH12 ARG 10 2HH1 ARG 10 -7.181 10.112 -5.351 84 HH21 ARG 10 1HH2 ARG 10 -5.602 10.281 -2.209 85 HH22 ARG 10 2HH2 ARG 10 -6.911 10.862 -3.190 86 H GLU 11 H GLU 11 -0.551 11.488 -3.960 87 HA GLU 11 HA GLU 11 2.265 11.243 -3.133 88 HB2 GLU 11 2HB GLU 11 1.658 13.444 -3.928 89 HB3 GLU 11 1HB GLU 11 0.222 13.491 -2.915 90 HG2 GLU 11 2HG GLU 11 2.015 14.953 -2.053 91 HG3 GLU 11 1HG GLU 11 1.579 13.682 -0.909 92 H VAL 12 H VAL 12 2.596 10.045 -1.389 93 HA VAL 12 HA VAL 12 0.690 10.105 0.891 94 HB VAL 12 HB VAL 12 1.328 7.801 1.442 95 HG11 VAL 12 1HG1 VAL 12 0.436 8.026 -1.458 96 HG12 VAL 12 2HG1 VAL 12 -0.603 8.096 -0.031 97 HG13 VAL 12 3HG1 VAL 12 0.249 6.605 -0.423 98 HG21 VAL 12 3HG2 VAL 12 3.068 7.839 -1.047 99 HG22 VAL 12 1HG2 VAL 12 2.708 6.410 -0.068 100 HG23 VAL 12 2HG2 VAL 12 3.622 7.750 0.625 101 H GLN 13 H GLN 13 1.568 10.199 2.981 102 HA GLN 13 HA GLN 13 4.500 10.731 3.244 103 HB2 GLN 13 2HB GLN 13 3.885 12.245 5.157 104 HB3 GLN 13 1HB GLN 13 3.320 12.821 3.596 105 HG2 GLN 13 2HG GLN 13 1.053 11.991 4.121 106 HG3 GLN 13 1HG GLN 13 1.630 11.432 5.686 107 HE21 GLN 13 1HE2 GLN 13 2.055 12.932 7.301 108 HE22 GLN 13 2HE2 GLN 13 1.518 14.568 7.222 109 H SER 14 H SER 14 2.808 8.302 3.441 110 HA SER 14 HA SER 14 2.567 7.489 6.166 111 HB2 SER 14 2HB SER 14 1.962 5.304 5.050 112 HB3 SER 14 1HB SER 14 1.026 6.692 4.500 113 HG SER 14 HG SER 14 1.663 6.207 2.574 114 H ALA 15 H ALA 15 4.729 6.559 3.481 115 HA ALA 15 HA ALA 15 6.802 5.679 3.339 116 HB1 ALA 15 3HB ALA 15 7.131 6.406 6.267 117 HB2 ALA 15 1HB ALA 15 7.450 7.480 4.899 118 HB3 ALA 15 2HB ALA 15 8.430 6.029 5.133 119 H SER 16 H SER 16 4.434 4.184 4.992 120 HA SER 16 HA SER 16 5.681 1.573 4.996 121 HB2 SER 16 2HB SER 16 4.435 2.654 7.567 122 HB3 SER 16 1HB SER 16 5.050 1.016 7.312 123 HG SER 16 HG SER 16 6.440 2.585 8.403 124 H VAL 17 H VAL 17 4.095 -0.118 5.149 125 HA VAL 17 HA VAL 17 1.828 0.504 3.549 126 HB VAL 17 HB VAL 17 2.574 -2.143 4.865 127 HG11 VAL 17 1HG1 VAL 17 1.158 -3.199 3.132 128 HG12 VAL 17 2HG1 VAL 17 0.648 -1.601 2.580 129 HG13 VAL 17 3HG1 VAL 17 0.219 -2.152 4.201 130 HG21 VAL 17 3HG2 VAL 17 3.565 -2.743 2.698 131 HG22 VAL 17 1HG2 VAL 17 4.345 -1.315 3.381 132 HG23 VAL 17 2HG2 VAL 17 3.179 -1.139 2.067 133 H ALA 18 H ALA 18 2.161 -0.301 7.027 134 HA ALA 18 HA ALA 18 -0.610 -0.571 7.610 135 HB1 ALA 18 3HB ALA 18 1.658 0.292 9.432 136 HB2 ALA 18 1HB ALA 18 1.102 -1.358 9.169 137 HB3 ALA 18 2HB ALA 18 0.045 -0.194 9.970 138 H ALA 19 H ALA 19 1.627 2.184 8.054 139 HA ALA 19 HA ALA 19 -0.222 4.161 8.759 140 HB1 ALA 19 3HB ALA 19 2.216 4.385 9.007 141 HB2 ALA 19 1HB ALA 19 1.542 5.748 8.112 142 HB3 ALA 19 2HB ALA 19 2.400 4.463 7.252 143 H LEU 20 H LEU 20 0.733 2.894 5.646 144 HA LEU 20 HA LEU 20 -0.234 4.830 3.870 145 HB2 LEU 20 2HB LEU 20 1.316 3.059 3.241 146 HB3 LEU 20 1HB LEU 20 0.119 1.837 3.616 147 HG LEU 20 HG LEU 20 -1.276 2.759 1.683 148 HD11 LEU 20 1HD1 LEU 20 1.288 4.224 1.006 149 HD12 LEU 20 2HD1 LEU 20 -0.255 4.961 1.450 150 HD13 LEU 20 3HD1 LEU 20 -0.120 4.042 -0.048 151 HD21 LEU 20 3HD2 LEU 20 0.039 1.546 0.014 152 HD22 LEU 20 1HD2 LEU 20 -0.029 0.676 1.545 153 HD23 LEU 20 2HD2 LEU 20 1.435 1.554 1.087 154 H MET 21 H MET 21 -1.768 1.721 4.811 155 HA MET 21 HA MET 21 -4.168 2.348 3.355 156 HB2 MET 21 2HB MET 21 -3.601 0.069 5.292 157 HB3 MET 21 1HB MET 21 -5.009 0.188 4.238 158 HG2 MET 21 2HG MET 21 -3.336 0.284 2.278 159 HG3 MET 21 1HG MET 21 -2.121 -0.228 3.450 160 HE1 MET 21 3HE MET 21 -5.378 -1.215 1.483 161 HE2 MET 21 1HE MET 21 -5.951 -1.311 3.154 162 HE3 MET 21 2HE MET 21 -5.766 -2.779 2.197 163 H THR 22 H THR 22 -3.125 2.871 6.647 164 HA THR 22 HA THR 22 -5.679 3.574 7.743 165 HB THR 22 HB THR 22 -2.884 4.543 8.521 166 HG1 THR 22 HG1 THR 22 -2.734 2.546 9.169 167 HG21 THR 22 3HG2 THR 22 -3.847 5.013 10.745 168 HG22 THR 22 1HG2 THR 22 -5.448 4.591 10.150 169 HG23 THR 22 2HG2 THR 22 -4.613 6.009 9.501 170 H GLU 23 H GLU 23 -3.136 5.322 6.008 171 HA GLU 23 HA GLU 23 -4.164 7.976 6.300 172 HB2 GLU 23 2HB GLU 23 -1.770 7.389 5.953 173 HB3 GLU 23 1HB GLU 23 -2.147 6.809 4.338 174 HG2 GLU 23 2HG GLU 23 -2.755 9.078 3.636 175 HG3 GLU 23 1HG GLU 23 -2.464 9.680 5.272 176 H LEU 24 H LEU 24 -4.422 5.485 3.812 177 HA LEU 24 HA LEU 24 -5.868 7.123 1.913 178 HB2 LEU 24 2HB LEU 24 -5.474 4.100 1.976 179 HB3 LEU 24 1HB LEU 24 -6.060 5.027 0.606 180 HG LEU 24 HG LEU 24 -3.249 5.123 1.772 181 HD11 LEU 24 1HD1 LEU 24 -4.223 3.989 -0.866 182 HD12 LEU 24 2HD1 LEU 24 -3.684 3.071 0.543 183 HD13 LEU 24 3HD1 LEU 24 -2.540 4.087 -0.326 184 HD21 LEU 24 3HD2 LEU 24 -2.649 6.564 -0.112 185 HD22 LEU 24 1HD2 LEU 24 -3.839 7.324 0.939 186 HD23 LEU 24 2HD2 LEU 24 -4.342 6.640 -0.609 187 H ASP 25 H ASP 25 -6.673 5.736 4.794 188 HA ASP 25 HA ASP 25 -8.509 5.227 5.963 189 HB2 ASP 25 2HB ASP 25 -9.335 7.406 4.933 190 HB3 ASP 25 1HB ASP 25 -10.123 6.454 3.683 191 H CYS 26 H CYS 26 -7.400 3.382 4.025 192 HA CYS 26 HA CYS 26 -9.603 1.767 2.970 193 HB2 CYS 26 2HB CYS 26 -7.596 2.382 1.572 194 HB3 CYS 26 1HB CYS 26 -6.587 1.423 2.656 195 HG CYS 26 HG CYS 26 -8.173 -0.930 2.084 196 H THR 27 H THR 27 -9.244 1.874 5.879 197 HA THR 27 HA THR 27 -8.635 -0.980 6.474 198 HB THR 27 HB THR 27 -8.232 -0.151 8.884 199 HG1 THR 27 HG1 THR 27 -7.820 2.069 9.119 200 HG21 THR 27 3HG2 THR 27 -6.297 0.852 6.750 201 HG22 THR 27 1HG2 THR 27 -6.292 -0.757 7.480 202 HG23 THR 27 2HG2 THR 27 -5.911 0.661 8.461 203 H ASP 28 H ASP 28 -11.140 0.620 5.659 204 HA ASP 28 HA ASP 28 -12.888 0.516 7.967 205 HB2 ASP 28 2HB ASP 28 -14.632 1.371 6.400 206 HB3 ASP 28 1HB ASP 28 -13.174 2.354 6.407 207 H GLY 29 H GLY 29 -11.793 -1.939 6.046 208 HA2 GLY 29 2HA GLY 29 -13.881 -3.763 6.878 209 HA3 GLY 29 1HA GLY 29 -13.868 -3.482 5.137 210 H HIS 30 H HIS 30 -13.277 -5.614 4.665 211 HA HIS 30 HA HIS 30 -10.810 -6.746 5.804 212 HB2 HIS 30 2HB HIS 30 -12.868 -8.022 3.937 213 HB3 HIS 30 1HB HIS 30 -11.500 -8.854 4.666 214 HD1 HIS 30 HD1 HIS 30 -11.937 -9.966 6.848 215 HD2 HIS 30 HD2 HIS 30 -14.810 -7.100 5.985 216 HE1 HIS 30 HE1 HIS 30 -13.702 -10.229 8.605 217 HE2 HIS 30 HE2 HIS 30 -15.289 -8.335 8.192 218 H TYR 31 H TYR 31 -9.832 -4.795 4.550 219 HA TYR 31 HA TYR 31 -9.434 -5.225 1.673 220 HB2 TYR 31 2HB TYR 31 -8.586 -2.963 3.534 221 HB3 TYR 31 1HB TYR 31 -8.185 -3.006 1.826 222 HD1 TYR 31 HD2 TYR 31 -10.919 -2.568 4.268 223 HD2 TYR 31 HD1 TYR 31 -9.875 -2.509 0.133 224 HE1 TYR 31 HE2 TYR 31 -13.048 -1.470 3.756 225 HE2 TYR 31 HE1 TYR 31 -12.008 -1.400 -0.385 226 HH TYR 31 HH TYR 31 -13.998 -0.018 2.017 227 H ALA 32 H ALA 32 -7.355 -5.255 0.755 228 HA ALA 32 HA ALA 32 -5.056 -5.968 2.430 229 HB1 ALA 32 3HB ALA 32 -5.946 -7.495 -0.059 230 HB2 ALA 32 1HB ALA 32 -6.018 -8.095 1.601 231 HB3 ALA 32 2HB ALA 32 -4.455 -7.776 0.849 232 H VAL 33 H VAL 33 -3.093 -6.032 0.852 233 HA VAL 33 HA VAL 33 -3.174 -3.777 -1.066 234 HB VAL 33 HB VAL 33 -2.404 -2.907 1.094 235 HG11 VAL 33 1HG1 VAL 33 -0.429 -3.759 2.235 236 HG12 VAL 33 2HG1 VAL 33 -0.254 -5.040 1.041 237 HG13 VAL 33 3HG1 VAL 33 -1.663 -5.003 2.107 238 HG21 VAL 33 3HG2 VAL 33 -0.072 -3.170 -0.839 239 HG22 VAL 33 1HG2 VAL 33 -0.196 -1.986 0.469 240 HG23 VAL 33 2HG2 VAL 33 -1.335 -1.938 -0.879 241 H ALA 34 H ALA 34 -1.814 -4.026 -2.780 242 HA ALA 34 HA ALA 34 -0.014 -6.382 -2.894 243 HB1 ALA 34 3HB ALA 34 -0.366 -6.407 -5.335 244 HB2 ALA 34 1HB ALA 34 -1.510 -5.065 -5.200 245 HB3 ALA 34 2HB ALA 34 -1.889 -6.627 -4.471 246 H LEU 35 H LEU 35 1.862 -5.478 -2.309 247 HA LEU 35 HA LEU 35 2.724 -2.889 -3.415 248 HB2 LEU 35 2HB LEU 35 2.862 -3.279 -0.932 249 HB3 LEU 35 1HB LEU 35 4.005 -4.583 -1.221 250 HG LEU 35 HG LEU 35 5.570 -2.870 -2.274 251 HD11 LEU 35 1HD1 LEU 35 3.929 -1.177 -2.875 252 HD12 LEU 35 2HD1 LEU 35 5.180 -0.497 -1.836 253 HD13 LEU 35 3HD1 LEU 35 3.586 -0.868 -1.168 254 HD21 LEU 35 3HD2 LEU 35 5.873 -3.634 0.034 255 HD22 LEU 35 1HD2 LEU 35 4.812 -2.350 0.614 256 HD23 LEU 35 2HD2 LEU 35 6.354 -1.951 -0.156 257 H ASN 36 H ASN 36 3.783 -3.022 -5.279 258 HA ASN 36 HA ASN 36 4.995 -3.697 -7.046 259 HB2 ASN 36 2HB ASN 36 6.819 -4.703 -4.813 260 HB3 ASN 36 1HB ASN 36 7.308 -4.596 -6.504 261 HD21 ASN 36 1HD2 ASN 36 8.367 -3.216 -4.156 262 HD22 ASN 36 2HD2 ASN 36 8.264 -1.529 -4.516 263 H TYR 37 H TYR 37 2.947 -5.208 -6.928 264 HA TYR 37 HA TYR 37 2.005 -7.050 -7.827 265 HB2 TYR 37 2HB TYR 37 4.803 -7.886 -8.700 266 HB3 TYR 37 1HB TYR 37 3.278 -8.393 -9.415 267 HD1 TYR 37 HD1 TYR 37 1.909 -6.698 -10.729 268 HD2 TYR 37 HD2 TYR 37 5.880 -5.847 -9.412 269 HE1 TYR 37 HE1 TYR 37 2.043 -4.825 -12.320 270 HE2 TYR 37 HE2 TYR 37 6.015 -3.981 -10.996 271 HH TYR 37 HH TYR 37 3.284 -2.742 -12.621 272 H ASP 38 H ASP 38 2.763 -7.111 -5.071 273 HA ASP 38 HA ASP 38 2.490 -9.984 -4.609 274 HB2 ASP 38 2HB ASP 38 4.924 -9.729 -4.497 275 HB3 ASP 38 1HB ASP 38 4.775 -8.357 -3.401 276 H VAL 39 H VAL 39 0.949 -10.274 -3.112 277 HA VAL 39 HA VAL 39 -0.239 -8.063 -1.746 278 HB VAL 39 HB VAL 39 -0.830 -11.025 -1.301 279 HG11 VAL 39 1HG1 VAL 39 -3.046 -10.242 -0.534 280 HG12 VAL 39 2HG1 VAL 39 -2.528 -8.565 -0.742 281 HG13 VAL 39 3HG1 VAL 39 -1.745 -9.589 0.463 282 HG21 VAL 39 3HG2 VAL 39 -2.645 -10.763 -2.953 283 HG22 VAL 39 1HG2 VAL 39 -1.053 -10.493 -3.675 284 HG23 VAL 39 2HG2 VAL 39 -2.095 -9.119 -3.293 285 H VAL 40 H VAL 40 0.261 -7.301 0.197 286 HA VAL 40 HA VAL 40 2.057 -8.767 2.002 287 HB VAL 40 HB VAL 40 1.079 -5.876 2.192 288 HG11 VAL 40 1HG1 VAL 40 2.846 -5.553 3.876 289 HG12 VAL 40 2HG1 VAL 40 3.265 -7.266 3.779 290 HG13 VAL 40 3HG1 VAL 40 1.686 -6.778 4.401 291 HG21 VAL 40 3HG2 VAL 40 3.759 -6.925 1.242 292 HG22 VAL 40 1HG2 VAL 40 3.323 -5.225 1.438 293 HG23 VAL 40 2HG2 VAL 40 2.503 -6.211 0.223 294 HA PRO 41 HA PRO 41 -1.768 -9.861 4.298 295 HB2 PRO 41 2HB PRO 41 -0.464 -11.237 6.344 296 HB3 PRO 41 1HB PRO 41 -0.908 -11.965 4.786 297 HG2 PRO 41 2HG PRO 41 1.728 -10.873 5.674 298 HG3 PRO 41 1HG PRO 41 1.380 -12.328 4.719 299 HD2 PRO 41 2HD PRO 41 2.261 -10.037 3.564 300 HD3 PRO 41 1HD PRO 41 1.132 -11.130 2.728 301 H ARG 42 H ARG 42 -2.649 -9.234 6.353 302 HA ARG 42 HA ARG 42 -2.085 -6.533 6.792 303 HB2 ARG 42 2HB ARG 42 -4.370 -7.395 6.959 304 HB3 ARG 42 1HB ARG 42 -3.952 -8.333 8.390 305 HG2 ARG 42 2HG ARG 42 -3.705 -6.380 9.734 306 HG3 ARG 42 1HG ARG 42 -3.656 -5.325 8.322 307 HD2 ARG 42 2HD ARG 42 -6.010 -5.727 7.871 308 HD3 ARG 42 1HD ARG 42 -6.104 -6.893 9.200 309 HE ARG 42 HE ARG 42 -5.347 -4.864 10.596 310 HH11 ARG 42 2HH1 ARG 42 -7.581 -4.676 7.854 311 HH12 ARG 42 1HH1 ARG 42 -8.420 -3.296 8.489 312 HH21 ARG 42 1HH2 ARG 42 -6.486 -3.111 11.413 313 HH22 ARG 42 2HH2 ARG 42 -7.788 -2.418 10.498 314 H GLY 43 H GLY 43 -1.318 -9.331 8.800 315 HA2 GLY 43 2HA GLY 43 -0.303 -7.909 11.054 316 HA3 GLY 43 1HA GLY 43 -0.005 -9.590 10.662 317 H LYS 44 H LYS 44 0.986 -8.010 7.954 318 HA LYS 44 HA LYS 44 3.770 -7.599 8.915 319 HB2 LYS 44 2HB LYS 44 2.776 -8.497 6.173 320 HB3 LYS 44 1HB LYS 44 4.455 -8.111 6.553 321 HG2 LYS 44 2HG LYS 44 4.392 -9.928 8.306 322 HG3 LYS 44 1HG LYS 44 2.800 -10.385 7.684 323 HD2 LYS 44 2HD LYS 44 3.807 -10.839 5.464 324 HD3 LYS 44 1HD LYS 44 5.391 -10.362 6.081 325 HE2 LYS 44 2HE LYS 44 3.746 -12.716 7.083 326 HE3 LYS 44 1HE LYS 44 5.148 -12.812 6.014 327 HZ1 LYS 44 3HZ LYS 44 5.763 -13.279 8.295 328 HZ2 LYS 44 1HZ LYS 44 5.170 -11.778 8.802 329 HZ3 LYS 44 2HZ LYS 44 6.510 -11.856 7.778 330 H TRP 45 H TRP 45 1.062 -5.939 7.719 331 HA TRP 45 HA TRP 45 2.006 -4.036 5.913 332 HB2 TRP 45 2HB TRP 45 -0.080 -3.686 8.107 333 HB3 TRP 45 1HB TRP 45 0.246 -2.453 6.903 334 HD1 TRP 45 HD1 TRP 45 0.365 -5.513 4.956 335 HE1 TRP 45 HE1 TRP 45 -1.908 -6.030 3.875 336 HE3 TRP 45 HE3 TRP 45 -2.563 -2.330 7.665 337 HZ2 TRP 45 HZ2 TRP 45 -4.602 -5.185 4.126 338 HZ3 TRP 45 HZ3 TRP 45 -4.977 -2.235 7.192 339 HH2 TRP 45 HH2 TRP 45 -5.976 -3.634 5.456 340 H ASP 46 H ASP 46 2.225 -4.013 9.429 341 HA ASP 46 HA ASP 46 3.415 -1.437 9.740 342 HB2 ASP 46 2HB ASP 46 3.768 -2.163 12.101 343 HB3 ASP 46 1HB ASP 46 2.122 -2.440 11.540 344 H GLU 47 H GLU 47 4.706 -4.711 9.526 345 HA GLU 47 HA GLU 47 7.445 -3.993 9.979 346 HB2 GLU 47 2HB GLU 47 6.136 -6.512 8.895 347 HB3 GLU 47 1HB GLU 47 7.860 -6.371 9.226 348 HG2 GLU 47 2HG GLU 47 5.646 -6.086 11.280 349 HG3 GLU 47 1HG GLU 47 6.659 -7.514 11.039 350 H THR 48 H THR 48 5.460 -3.692 7.222 351 HA THR 48 HA THR 48 7.749 -3.903 5.352 352 HB THR 48 HB THR 48 4.783 -3.846 4.648 353 HG1 THR 48 HG1 THR 48 5.732 -5.727 5.923 354 HG21 THR 48 3HG2 THR 48 7.222 -4.658 2.993 355 HG22 THR 48 1HG2 THR 48 6.314 -3.151 2.799 356 HG23 THR 48 2HG2 THR 48 5.544 -4.699 2.448 357 HA PRO 49 HA PRO 49 7.169 0.647 5.092 358 HB2 PRO 49 2HB PRO 49 9.551 1.281 3.970 359 HB3 PRO 49 1HB PRO 49 9.456 0.776 5.674 360 HG2 PRO 49 2HG PRO 49 10.238 -0.846 3.273 361 HG3 PRO 49 1HG PRO 49 11.010 -0.776 4.873 362 HD2 PRO 49 2HD PRO 49 9.245 -2.762 4.110 363 HD3 PRO 49 1HD PRO 49 9.509 -2.280 5.802 364 H VAL 50 H VAL 50 7.054 2.177 3.266 365 HA VAL 50 HA VAL 50 6.846 0.997 0.550 366 HB VAL 50 HB VAL 50 5.294 3.408 1.644 367 HG11 VAL 50 1HG1 VAL 50 5.805 3.647 -0.736 368 HG12 VAL 50 2HG1 VAL 50 4.082 3.347 -0.500 369 HG13 VAL 50 3HG1 VAL 50 5.133 2.043 -1.060 370 HG21 VAL 50 3HG2 VAL 50 4.417 1.307 2.580 371 HG22 VAL 50 1HG2 VAL 50 4.253 0.638 0.953 372 HG23 VAL 50 2HG2 VAL 50 3.270 2.022 1.443 373 H THR 51 H THR 51 7.884 2.099 -1.073 374 HA THR 51 HA THR 51 9.626 4.391 -0.366 375 HB THR 51 HB THR 51 10.292 2.044 -2.215 376 HG1 THR 51 HG1 THR 51 10.151 1.623 0.139 377 HG21 THR 51 3HG2 THR 51 11.495 4.145 -2.804 378 HG22 THR 51 1HG2 THR 51 12.601 2.908 -2.183 379 HG23 THR 51 2HG2 THR 51 12.103 4.251 -1.152 380 H ALA 52 H ALA 52 10.010 5.858 -2.144 381 HA ALA 52 HA ALA 52 7.902 6.452 -3.887 382 HB1 ALA 52 3HB ALA 52 9.606 8.086 -3.164 383 HB2 ALA 52 1HB ALA 52 9.452 8.063 -4.924 384 HB3 ALA 52 2HB ALA 52 10.819 7.262 -4.143 385 H GLY 53 H GLY 53 7.319 5.670 -5.837 386 HA2 GLY 53 2HA GLY 53 7.688 4.825 -8.026 387 HA3 GLY 53 1HA GLY 53 9.207 4.118 -7.509 388 H ASP 54 H ASP 54 7.057 3.345 -5.112 389 HA ASP 54 HA ASP 54 6.788 0.624 -6.015 390 HB2 ASP 54 2HB ASP 54 5.887 2.076 -3.495 391 HB3 ASP 54 1HB ASP 54 5.413 0.409 -3.807 392 H GLU 55 H GLU 55 5.042 -0.412 -6.764 393 HA GLU 55 HA GLU 55 2.647 1.098 -7.452 394 HB2 GLU 55 2HB GLU 55 3.796 -0.382 -9.155 395 HB3 GLU 55 1HB GLU 55 3.308 -1.780 -8.200 396 HG2 GLU 55 2HG GLU 55 0.917 -1.066 -8.471 397 HG3 GLU 55 1HG GLU 55 1.461 0.239 -9.524 398 H ILE 56 H ILE 56 1.184 1.191 -5.909 399 HA ILE 56 HA ILE 56 0.693 -1.058 -4.065 400 HB ILE 56 HB ILE 56 -0.123 1.875 -3.864 401 HG12 ILE 56 2HG1 ILE 56 2.116 0.472 -2.350 402 HG13 ILE 56 1HG1 ILE 56 2.367 1.462 -3.783 403 HG21 ILE 56 1HG2 ILE 56 -1.651 0.403 -2.643 404 HG22 ILE 56 2HG2 ILE 56 -0.691 1.365 -1.520 405 HG23 ILE 56 3HG2 ILE 56 -0.294 -0.333 -1.787 406 HD11 ILE 56 3HD1 ILE 56 1.431 3.390 -2.608 407 HD12 ILE 56 1HD1 ILE 56 2.852 2.722 -1.817 408 HD13 ILE 56 2HD1 ILE 56 1.255 2.408 -1.154 409 H GLU 57 H GLU 57 -0.744 -2.295 -5.305 410 HA GLU 57 HA GLU 57 -3.274 -1.073 -6.194 411 HB2 GLU 57 2HB GLU 57 -2.210 -2.634 -7.757 412 HB3 GLU 57 1HB GLU 57 -2.174 -3.898 -6.527 413 HG2 GLU 57 2HG GLU 57 -4.681 -3.880 -6.495 414 HG3 GLU 57 1HG GLU 57 -4.662 -2.680 -7.787 415 H ILE 58 H ILE 58 -4.884 -0.950 -4.723 416 HA ILE 58 HA ILE 58 -4.851 -2.494 -2.268 417 HB ILE 58 HB ILE 58 -6.903 -0.543 -3.419 418 HG12 ILE 58 2HG1 ILE 58 -4.842 -0.205 -1.187 419 HG13 ILE 58 1HG1 ILE 58 -4.735 0.485 -2.802 420 HG21 ILE 58 1HG2 ILE 58 -8.009 -0.547 -1.219 421 HG22 ILE 58 2HG2 ILE 58 -6.896 -1.798 -0.660 422 HG23 ILE 58 3HG2 ILE 58 -8.043 -2.153 -1.952 423 HD11 ILE 58 3HD1 ILE 58 -6.723 1.840 -2.334 424 HD12 ILE 58 1HD1 ILE 58 -5.391 2.153 -1.226 425 HD13 ILE 58 2HD1 ILE 58 -6.768 1.191 -0.691 426 H LEU 59 H LEU 59 -6.235 -4.202 -1.775 427 HA LEU 59 HA LEU 59 -7.831 -5.377 -3.968 428 HB2 LEU 59 2HB LEU 59 -5.867 -6.763 -2.089 429 HB3 LEU 59 1HB LEU 59 -7.060 -7.647 -3.033 430 HG LEU 59 HG LEU 59 -4.837 -5.916 -4.192 431 HD11 LEU 59 1HD1 LEU 59 -3.952 -7.959 -3.207 432 HD12 LEU 59 2HD1 LEU 59 -3.844 -8.009 -4.964 433 HD13 LEU 59 3HD1 LEU 59 -5.099 -8.935 -4.132 434 HD21 LEU 59 3HD2 LEU 59 -6.781 -5.856 -5.623 435 HD22 LEU 59 1HD2 LEU 59 -6.933 -7.618 -5.570 436 HD23 LEU 59 2HD2 LEU 59 -5.541 -6.865 -6.364 437 H THR 60 H THR 60 -9.682 -6.454 -3.387 438 HA THR 60 HA THR 60 -10.393 -6.646 -0.524 439 HB THR 60 HB THR 60 -12.796 -6.504 -1.234 440 HG1 THR 60 HG1 THR 60 -12.673 -7.096 -3.415 441 HG21 THR 60 3HG2 THR 60 -12.866 -4.078 -1.697 442 HG22 THR 60 1HG2 THR 60 -11.162 -4.092 -2.106 443 HG23 THR 60 2HG2 THR 60 -11.672 -4.446 -0.451 444 HA PRO 61 HA PRO 61 -9.664 -10.785 -2.474 445 HB2 PRO 61 2HB PRO 61 -9.142 -11.707 0.317 446 HB3 PRO 61 1HB PRO 61 -8.083 -11.771 -1.106 447 HG2 PRO 61 2HG PRO 61 -7.602 -10.083 0.930 448 HG3 PRO 61 1HG PRO 61 -7.232 -9.648 -0.755 449 HD2 PRO 61 2HD PRO 61 -9.589 -8.819 0.935 450 HD3 PRO 61 1HD PRO 61 -8.597 -7.845 -0.178 451 H ARG 62 H ARG 62 -11.480 -11.817 -3.007 452 HA ARG 62 HA ARG 62 -13.315 -12.957 -1.077 453 HB2 ARG 62 2HB ARG 62 -14.156 -10.640 -1.175 454 HB3 ARG 62 1HB ARG 62 -14.174 -10.682 -2.935 455 HG2 ARG 62 2HG ARG 62 -15.956 -12.372 -2.900 456 HG3 ARG 62 1HG ARG 62 -15.933 -12.393 -1.133 457 HD2 ARG 62 2HD ARG 62 -17.799 -11.034 -2.073 458 HD3 ARG 62 1HD ARG 62 -16.710 -10.079 -1.058 459 HE ARG 62 HE ARG 62 -15.999 -9.991 -3.842 460 HH11 ARG 62 2HH1 ARG 62 -18.178 -8.523 -1.479 461 HH12 ARG 62 1HH1 ARG 62 -18.353 -7.056 -2.395 462 HH21 ARG 62 2HH2 ARG 62 -16.273 -8.052 -5.013 463 HH22 ARG 62 1HH2 ARG 62 -17.283 -6.793 -4.380 464 H GLN 63 H GLN 63 -13.335 -14.914 -1.916 465 HA GLN 63 HA GLN 63 -13.825 -16.688 -3.163 466 HB2 GLN 63 2HB GLN 63 -15.936 -15.339 -3.530 467 HB3 GLN 63 1HB GLN 63 -15.262 -14.770 -5.052 468 HG2 GLN 63 2HG GLN 63 -15.276 -17.053 -5.943 469 HG3 GLN 63 1HG GLN 63 -15.842 -17.681 -4.396 470 HE21 GLN 63 1HE2 GLN 63 -16.729 -15.796 -7.218 471 HE22 GLN 63 2HE2 GLN 63 -18.440 -15.915 -6.992 472 H GLY 64 H GLY 64 -11.504 -14.678 -4.023 473 HA2 GLY 64 2HA GLY 64 -9.575 -15.482 -5.138 474 HA3 GLY 64 1HA GLY 64 -10.583 -16.368 -6.261 475 H GLY 65 H GLY 65 -11.773 -13.225 -5.759 476 HA2 GLY 65 2HA GLY 65 -11.579 -11.203 -6.801 477 HA3 GLY 65 1HA GLY 65 -9.936 -11.655 -7.231 478 H LEU 66 H LEU 66 -9.541 -11.802 -9.352 479 HA LEU 66 HA LEU 66 -11.646 -11.326 -11.270 480 HB2 LEU 66 2HB LEU 66 -9.362 -10.284 -11.369 481 HB3 LEU 66 1HB LEU 66 -8.683 -11.841 -11.771 482 HG LEU 66 HG LEU 66 -10.746 -10.489 -13.578 483 HD11 LEU 66 1HD1 LEU 66 -8.894 -9.577 -14.927 484 HD12 LEU 66 2HD1 LEU 66 -7.731 -10.152 -13.730 485 HD13 LEU 66 3HD1 LEU 66 -8.901 -8.904 -13.297 486 HD21 LEU 66 3HD2 LEU 66 -9.742 -11.847 -15.379 487 HD22 LEU 66 1HD2 LEU 66 -10.343 -12.871 -14.076 488 HD23 LEU 66 2HD2 LEU 66 -8.615 -12.560 -14.223 489 H GLU 67 H GLU 67 -9.271 -13.914 -10.738 490 HA GLU 67 HA GLU 67 -10.320 -15.640 -12.772 491 HB2 GLU 67 2HB GLU 67 -7.936 -15.680 -12.163 492 HB3 GLU 67 1HB GLU 67 -8.325 -16.141 -10.508 493 HG2 GLU 67 2HG GLU 67 -7.534 -18.083 -11.696 494 HG3 GLU 67 1HG GLU 67 -9.246 -18.292 -11.355 495 H HIS 68 H HIS 68 -11.647 -17.350 -12.564 496 HA HIS 68 HA HIS 68 -12.906 -17.895 -9.924 497 HB2 HIS 68 2HB HIS 68 -14.344 -16.890 -11.855 498 HB3 HIS 68 1HB HIS 68 -14.219 -18.471 -12.620 499 HD1 HIS 68 HD1 HIS 68 -15.444 -16.900 -9.384 500 HD2 HIS 68 HD2 HIS 68 -16.110 -20.259 -11.727 501 HE1 HIS 68 HE1 HIS 68 -17.405 -18.065 -8.345 502 HE2 HIS 68 HE2 HIS 68 -17.927 -19.940 -9.937 503 H HIS 69 H HIS 69 -10.831 -19.172 -12.221 504 HA HIS 69 HA HIS 69 -11.434 -22.001 -11.531 505 HB2 HIS 69 2HB HIS 69 -9.806 -21.115 -13.954 506 HB3 HIS 69 1HB HIS 69 -10.609 -22.656 -13.675 507 HD1 HIS 69 HD1 HIS 69 -11.056 -19.401 -15.252 508 HD2 HIS 69 HD2 HIS 69 -13.548 -22.433 -13.880 509 HE1 HIS 69 HE1 HIS 69 -13.298 -18.949 -16.286 510 HE2 HIS 69 HE2 HIS 69 -14.792 -20.769 -15.410 511 H HIS 70 H HIS 70 -10.202 -21.880 -9.612 512 HA HIS 70 HA HIS 70 -7.397 -20.968 -9.719 513 HB2 HIS 70 2HB HIS 70 -9.157 -21.768 -7.344 514 HB3 HIS 70 1HB HIS 70 -7.517 -21.134 -7.227 515 HD1 HIS 70 HD1 HIS 70 -7.164 -18.636 -7.969 516 HD2 HIS 70 HD2 HIS 70 -11.125 -19.822 -7.607 517 HE1 HIS 70 HE1 HIS 70 -8.497 -16.536 -7.996 518 HE2 HIS 70 HE2 HIS 70 -10.896 -17.278 -7.929 519 H HIS 71 H HIS 71 -5.666 -22.288 -9.303 520 HA HIS 71 HA HIS 71 -6.114 -25.171 -8.698 521 HB2 HIS 71 2HB HIS 71 -3.993 -23.909 -10.497 522 HB3 HIS 71 1HB HIS 71 -3.920 -25.575 -9.938 523 HD1 HIS 71 HD1 HIS 71 -4.971 -27.256 -11.442 524 HD2 HIS 71 HD2 HIS 71 -6.445 -23.430 -12.150 525 HE1 HIS 71 HE1 HIS 71 -6.494 -27.467 -13.429 526 HE2 HIS 71 HE2 HIS 71 -7.337 -25.141 -13.854 527 H HIS 72 H HIS 72 -3.457 -22.797 -8.744 528 HA HIS 72 HA HIS 72 -3.281 -22.851 -5.805 529 HB2 HIS 72 2HB HIS 72 -0.908 -23.217 -7.722 530 HB3 HIS 72 1HB HIS 72 -0.730 -22.792 -6.024 531 HD1 HIS 72 HD1 HIS 72 -0.978 -25.649 -8.244 532 HD2 HIS 72 HD2 HIS 72 -1.787 -24.890 -4.246 533 HE1 HIS 72 HE1 HIS 72 -1.159 -27.904 -7.156 534 HE2 HIS 72 HE2 HIS 72 -1.507 -27.399 -4.717 535 H HIS 73 H HIS 73 -4.378 -20.919 -5.894 536 HA HIS 73 HA HIS 73 -4.899 -18.755 -6.149 537 HB2 HIS 73 2HB HIS 73 -1.878 -18.475 -6.401 538 HB3 HIS 73 1HB HIS 73 -2.954 -17.085 -6.354 539 HD1 HIS 73 HD1 HIS 73 -1.026 -19.225 -4.165 540 HD2 HIS 73 HD2 HIS 73 -4.511 -17.000 -3.835 541 HE1 HIS 73 HE1 HIS 73 -1.458 -19.012 -1.706 542 HE2 HIS 73 HE2 HIS 73 -3.476 -17.524 -1.544 Start of MODEL 4 1 H1 MET 1 1H MET 1 6.378 11.509 -1.010 2 H2 MET 1 2H MET 1 7.433 12.067 -2.195 3 H3 MET 1 3H MET 1 8.048 11.494 -0.730 4 HA MET 1 HA MET 1 8.365 9.885 -2.474 5 HB2 MET 1 2HB MET 1 6.212 9.040 -0.489 6 HB3 MET 1 1HB MET 1 7.282 7.950 -1.367 7 HG2 MET 1 2HG MET 1 9.186 8.691 -0.119 8 HG3 MET 1 1HG MET 1 8.279 10.041 0.566 9 HE1 MET 1 3HE MET 1 6.486 6.613 0.170 10 HE2 MET 1 1HE MET 1 7.067 5.728 1.577 11 HE3 MET 1 2HE MET 1 8.177 6.112 0.259 12 H LEU 2 H LEU 2 7.570 10.365 -4.556 13 HA LEU 2 HA LEU 2 4.753 10.153 -5.190 14 HB2 LEU 2 2HB LEU 2 6.583 11.592 -6.405 15 HB3 LEU 2 1HB LEU 2 7.002 10.108 -7.234 16 HG LEU 2 HG LEU 2 4.247 11.432 -7.358 17 HD11 LEU 2 1HD1 LEU 2 5.918 12.855 -8.407 18 HD12 LEU 2 2HD1 LEU 2 4.834 12.164 -9.610 19 HD13 LEU 2 3HD1 LEU 2 6.464 11.511 -9.416 20 HD21 LEU 2 3HD2 LEU 2 5.360 9.136 -9.018 21 HD22 LEU 2 1HD2 LEU 2 3.809 9.941 -9.290 22 HD23 LEU 2 2HD2 LEU 2 4.080 9.030 -7.809 23 H VAL 3 H VAL 3 3.951 8.176 -4.860 24 HA VAL 3 HA VAL 3 5.223 5.775 -6.071 25 HB VAL 3 HB VAL 3 3.768 4.421 -4.571 26 HG11 VAL 3 1HG1 VAL 3 6.020 5.003 -3.773 27 HG12 VAL 3 2HG1 VAL 3 4.889 4.912 -2.423 28 HG13 VAL 3 3HG1 VAL 3 5.395 6.485 -3.040 29 HG21 VAL 3 3HG2 VAL 3 1.856 5.969 -4.344 30 HG22 VAL 3 1HG2 VAL 3 2.847 7.073 -3.386 31 HG23 VAL 3 2HG2 VAL 3 2.444 5.473 -2.756 32 H THR 4 H THR 4 3.344 4.148 -6.702 33 HA THR 4 HA THR 4 1.216 5.576 -8.179 34 HB THR 4 HB THR 4 2.721 3.075 -9.061 35 HG1 THR 4 HG1 THR 4 3.615 5.446 -9.164 36 HG21 THR 4 3HG2 THR 4 1.551 3.387 -11.217 37 HG22 THR 4 1HG2 THR 4 0.647 4.735 -10.530 38 HG23 THR 4 2HG2 THR 4 0.400 3.101 -9.905 39 H ILE 5 H ILE 5 -0.502 5.215 -6.860 40 HA ILE 5 HA ILE 5 -0.932 2.614 -5.571 41 HB ILE 5 HB ILE 5 -2.328 5.293 -5.154 42 HG12 ILE 5 2HG1 ILE 5 -0.310 3.797 -3.415 43 HG13 ILE 5 1HG1 ILE 5 0.017 5.256 -4.347 44 HG21 ILE 5 1HG2 ILE 5 -3.891 3.438 -4.674 45 HG22 ILE 5 2HG2 ILE 5 -3.434 4.261 -3.183 46 HG23 ILE 5 3HG2 ILE 5 -2.707 2.704 -3.586 47 HD11 ILE 5 3HD1 ILE 5 -1.545 6.497 -2.918 48 HD12 ILE 5 1HD1 ILE 5 -0.233 5.759 -2.001 49 HD13 ILE 5 2HD1 ILE 5 -1.840 5.034 -1.975 50 H ASN 6 H ASN 6 -1.919 1.217 -6.892 51 HA ASN 6 HA ASN 6 -3.494 0.137 -8.078 52 HB2 ASN 6 2HB ASN 6 -5.285 2.503 -7.369 53 HB3 ASN 6 1HB ASN 6 -5.862 1.037 -8.146 54 HD21 ASN 6 1HD2 ASN 6 -3.613 1.423 -5.404 55 HD22 ASN 6 2HD2 ASN 6 -4.588 0.567 -4.286 56 H GLY 7 H GLY 7 -1.606 1.779 -9.400 57 HA2 GLY 7 2HA GLY 7 -1.143 2.133 -11.651 58 HA3 GLY 7 1HA GLY 7 -2.854 2.025 -12.028 59 H GLU 8 H GLU 8 -2.493 4.165 -9.472 60 HA GLU 8 HA GLU 8 -2.497 6.518 -11.286 61 HB2 GLU 8 2HB GLU 8 -3.935 6.190 -8.618 62 HB3 GLU 8 1HB GLU 8 -3.998 7.613 -9.658 63 HG2 GLU 8 2HG GLU 8 -5.048 4.851 -10.377 64 HG3 GLU 8 1HG GLU 8 -6.038 6.207 -9.836 65 H GLN 9 H GLN 9 -0.774 7.826 -11.030 66 HA GLN 9 HA GLN 9 1.198 7.546 -9.017 67 HB2 GLN 9 2HB GLN 9 0.686 9.796 -10.997 68 HB3 GLN 9 1HB GLN 9 2.094 9.739 -9.939 69 HG2 GLN 9 2HG GLN 9 2.757 7.596 -11.006 70 HG3 GLN 9 1HG GLN 9 1.394 7.746 -12.115 71 HE21 GLN 9 1HE2 GLN 9 1.463 9.396 -13.720 72 HE22 GLN 9 2HE2 GLN 9 2.939 10.168 -14.164 73 H ARG 10 H ARG 10 0.941 8.117 -6.952 74 HA ARG 10 HA ARG 10 -0.499 10.581 -6.193 75 HB2 ARG 10 2HB ARG 10 -0.529 7.860 -4.833 76 HB3 ARG 10 1HB ARG 10 -1.045 9.336 -4.020 77 HG2 ARG 10 2HG ARG 10 -2.771 9.640 -5.840 78 HG3 ARG 10 1HG ARG 10 -2.326 8.039 -6.452 79 HD2 ARG 10 2HD ARG 10 -3.005 7.005 -4.375 80 HD3 ARG 10 1HD ARG 10 -3.259 8.579 -3.614 81 HE ARG 10 HE ARG 10 -4.887 7.961 -5.961 82 HH11 ARG 10 2HH1 ARG 10 -4.704 8.081 -2.447 83 HH12 ARG 10 1HH1 ARG 10 -6.427 8.082 -2.241 84 HH21 ARG 10 1HH2 ARG 10 -7.143 7.936 -5.662 85 HH22 ARG 10 2HH2 ARG 10 -7.808 7.998 -4.059 86 H GLU 11 H GLU 11 0.625 11.920 -4.972 87 HA GLU 11 HA GLU 11 3.296 11.327 -3.994 88 HB2 GLU 11 2HB GLU 11 2.862 13.480 -5.081 89 HB3 GLU 11 1HB GLU 11 1.565 13.840 -3.955 90 HG2 GLU 11 2HG GLU 11 3.655 15.125 -3.505 91 HG3 GLU 11 1HG GLU 11 3.115 14.153 -2.134 92 H VAL 12 H VAL 12 3.549 10.402 -2.062 93 HA VAL 12 HA VAL 12 1.669 10.910 0.175 94 HB VAL 12 HB VAL 12 1.858 8.589 0.915 95 HG11 VAL 12 1HG1 VAL 12 1.161 8.613 -2.048 96 HG12 VAL 12 2HG1 VAL 12 0.071 9.025 -0.723 97 HG13 VAL 12 3HG1 VAL 12 0.678 7.376 -0.882 98 HG21 VAL 12 3HG2 VAL 12 4.180 8.095 0.231 99 HG22 VAL 12 1HG2 VAL 12 3.693 8.066 -1.468 100 HG23 VAL 12 2HG2 VAL 12 3.089 6.838 -0.351 101 H GLN 13 H GLN 13 2.729 10.391 2.310 102 HA GLN 13 HA GLN 13 5.677 10.742 2.325 103 HB2 GLN 13 2HB GLN 13 4.332 12.813 3.034 104 HB3 GLN 13 1HB GLN 13 3.791 11.886 4.430 105 HG2 GLN 13 2HG GLN 13 6.162 11.634 5.149 106 HG3 GLN 13 1HG GLN 13 6.669 12.596 3.763 107 HE21 GLN 13 1HE2 GLN 13 7.054 13.094 6.632 108 HE22 GLN 13 2HE2 GLN 13 6.341 14.636 6.949 109 H SER 14 H SER 14 3.379 8.559 2.733 110 HA SER 14 HA SER 14 3.952 7.450 5.332 111 HB2 SER 14 2HB SER 14 2.457 6.251 2.965 112 HB3 SER 14 1HB SER 14 2.456 5.630 4.621 113 HG SER 14 HG SER 14 1.071 7.106 5.161 114 H ALA 15 H ALA 15 6.042 6.761 5.538 115 HA ALA 15 HA ALA 15 7.328 5.018 3.591 116 HB1 ALA 15 3HB ALA 15 8.192 5.763 6.409 117 HB2 ALA 15 1HB ALA 15 8.683 6.587 4.927 118 HB3 ALA 15 2HB ALA 15 9.176 4.916 5.212 119 H SER 16 H SER 16 4.848 4.510 5.652 120 HA SER 16 HA SER 16 5.447 1.638 6.033 121 HB2 SER 16 2HB SER 16 5.339 2.768 8.224 122 HB3 SER 16 1HB SER 16 3.790 3.493 7.807 123 HG SER 16 HG SER 16 4.397 0.807 8.400 124 H VAL 17 H VAL 17 4.028 0.284 5.084 125 HA VAL 17 HA VAL 17 1.897 1.109 3.424 126 HB VAL 17 HB VAL 17 2.560 -1.644 4.577 127 HG11 VAL 17 1HG1 VAL 17 0.157 -1.623 4.044 128 HG12 VAL 17 2HG1 VAL 17 1.030 -2.608 2.872 129 HG13 VAL 17 3HG1 VAL 17 0.497 -0.983 2.433 130 HG21 VAL 17 3HG2 VAL 17 3.003 -0.465 1.804 131 HG22 VAL 17 1HG2 VAL 17 3.411 -2.117 2.289 132 HG23 VAL 17 2HG2 VAL 17 4.250 -0.746 3.021 133 H ALA 18 H ALA 18 1.983 -0.166 6.758 134 HA ALA 18 HA ALA 18 -0.725 -0.500 7.299 135 HB1 ALA 18 3HB ALA 18 1.451 0.394 9.225 136 HB2 ALA 18 1HB ALA 18 1.049 -1.275 8.810 137 HB3 ALA 18 2HB ALA 18 -0.115 -0.283 9.684 138 H ALA 19 H ALA 19 1.301 2.386 7.816 139 HA ALA 19 HA ALA 19 -0.648 4.077 8.920 140 HB1 ALA 19 3HB ALA 19 0.925 5.899 8.411 141 HB2 ALA 19 1HB ALA 19 1.850 4.821 7.366 142 HB3 ALA 19 2HB ALA 19 1.763 4.507 9.104 143 H LEU 20 H LEU 20 0.467 3.666 5.551 144 HA LEU 20 HA LEU 20 -1.038 5.706 4.341 145 HB2 LEU 20 2HB LEU 20 0.881 4.552 3.285 146 HB3 LEU 20 1HB LEU 20 -0.071 3.087 3.137 147 HG LEU 20 HG LEU 20 -1.582 4.185 1.515 148 HD11 LEU 20 1HD1 LEU 20 -1.121 6.430 0.620 149 HD12 LEU 20 2HD1 LEU 20 0.156 6.655 1.820 150 HD13 LEU 20 3HD1 LEU 20 -1.523 6.481 2.336 151 HD21 LEU 20 3HD2 LEU 20 -0.030 4.411 -0.361 152 HD22 LEU 20 1HD2 LEU 20 0.396 3.034 0.653 153 HD23 LEU 20 2HD2 LEU 20 1.332 4.529 0.756 154 H MET 21 H MET 21 -1.827 2.258 4.828 155 HA MET 21 HA MET 21 -4.307 2.327 3.404 156 HB2 MET 21 2HB MET 21 -3.229 0.265 5.372 157 HB3 MET 21 1HB MET 21 -4.630 0.034 4.324 158 HG2 MET 21 2HG MET 21 -1.833 0.574 3.281 159 HG3 MET 21 1HG MET 21 -2.495 -1.041 3.511 160 HE1 MET 21 3HE MET 21 -5.342 -1.166 2.457 161 HE2 MET 21 1HE MET 21 -4.060 -2.231 1.876 162 HE3 MET 21 2HE MET 21 -5.111 -1.404 0.726 163 H THR 22 H THR 22 -3.386 2.956 6.745 164 HA THR 22 HA THR 22 -6.000 2.978 7.884 165 HB THR 22 HB THR 22 -3.481 4.459 8.753 166 HG1 THR 22 HG1 THR 22 -2.934 2.478 9.240 167 HG21 THR 22 3HG2 THR 22 -4.514 4.592 10.998 168 HG22 THR 22 1HG2 THR 22 -6.001 3.888 10.357 169 HG23 THR 22 2HG2 THR 22 -5.474 5.481 9.812 170 H GLU 23 H GLU 23 -3.983 5.437 6.300 171 HA GLU 23 HA GLU 23 -5.697 7.694 6.679 172 HB2 GLU 23 2HB GLU 23 -3.465 7.131 4.684 173 HB3 GLU 23 1HB GLU 23 -4.228 8.710 4.879 174 HG2 GLU 23 2HG GLU 23 -3.389 8.941 7.112 175 HG3 GLU 23 1HG GLU 23 -2.841 7.264 7.155 176 H LEU 24 H LEU 24 -5.323 5.303 4.112 177 HA LEU 24 HA LEU 24 -7.271 6.523 2.343 178 HB2 LEU 24 2HB LEU 24 -5.777 3.874 2.219 179 HB3 LEU 24 1HB LEU 24 -6.863 4.446 0.958 180 HG LEU 24 HG LEU 24 -4.288 5.836 1.814 181 HD11 LEU 24 1HD1 LEU 24 -4.822 4.227 -0.701 182 HD12 LEU 24 2HD1 LEU 24 -3.796 3.744 0.653 183 HD13 LEU 24 3HD1 LEU 24 -3.352 5.138 -0.329 184 HD21 LEU 24 3HD2 LEU 24 -5.954 7.442 1.017 185 HD22 LEU 24 1HD2 LEU 24 -6.195 6.499 -0.461 186 HD23 LEU 24 2HD2 LEU 24 -4.644 7.279 -0.144 187 H ASP 25 H ASP 25 -7.502 4.700 5.144 188 HA ASP 25 HA ASP 25 -9.190 3.740 6.289 189 HB2 ASP 25 2HB ASP 25 -10.587 5.582 5.498 190 HB3 ASP 25 1HB ASP 25 -10.880 4.764 3.976 191 H CYS 26 H CYS 26 -7.675 2.370 4.021 192 HA CYS 26 HA CYS 26 -9.458 0.180 3.214 193 HB2 CYS 26 2HB CYS 26 -6.664 0.904 2.232 194 HB3 CYS 26 1HB CYS 26 -7.748 -0.304 1.529 195 HG CYS 26 HG CYS 26 -9.364 2.529 1.665 196 H THR 27 H THR 27 -8.398 0.477 5.938 197 HA THR 27 HA THR 27 -7.097 -2.176 6.178 198 HB THR 27 HB THR 27 -5.577 -0.288 6.859 199 HG1 THR 27 HG1 THR 27 -6.428 -2.000 8.985 200 HG21 THR 27 3HG2 THR 27 -7.597 0.167 9.101 201 HG22 THR 27 1HG2 THR 27 -7.261 1.292 7.780 202 HG23 THR 27 2HG2 THR 27 -6.009 0.923 8.967 203 H ASP 28 H ASP 28 -9.818 -0.243 6.808 204 HA ASP 28 HA ASP 28 -10.673 -1.089 9.354 205 HB2 ASP 28 2HB ASP 28 -11.569 0.922 8.218 206 HB3 ASP 28 1HB ASP 28 -12.330 -0.082 6.991 207 H GLY 29 H GLY 29 -12.131 -2.011 6.221 208 HA2 GLY 29 2HA GLY 29 -13.278 -4.441 7.354 209 HA3 GLY 29 1HA GLY 29 -13.550 -3.771 5.752 210 H HIS 30 H HIS 30 -13.333 -6.028 5.107 211 HA HIS 30 HA HIS 30 -10.807 -7.406 5.437 212 HB2 HIS 30 2HB HIS 30 -11.836 -9.229 4.134 213 HB3 HIS 30 1HB HIS 30 -12.922 -8.695 5.395 214 HD1 HIS 30 HD1 HIS 30 -12.886 -9.528 1.895 215 HD2 HIS 30 HD2 HIS 30 -15.032 -6.879 4.272 216 HE1 HIS 30 HE1 HIS 30 -14.935 -8.929 0.581 217 HE2 HIS 30 HE2 HIS 30 -16.256 -7.414 2.082 218 H TYR 31 H TYR 31 -9.315 -5.995 4.531 219 HA TYR 31 HA TYR 31 -9.273 -5.747 1.580 220 HB2 TYR 31 2HB TYR 31 -8.214 -3.746 3.631 221 HB3 TYR 31 1HB TYR 31 -8.049 -3.599 1.885 222 HD1 TYR 31 HD2 TYR 31 -10.379 -3.688 0.550 223 HD2 TYR 31 HD1 TYR 31 -9.982 -2.536 4.648 224 HE1 TYR 31 HE2 TYR 31 -12.512 -2.471 0.430 225 HE2 TYR 31 HE1 TYR 31 -12.107 -1.326 4.517 226 HH TYR 31 HH TYR 31 -13.564 -0.320 2.866 227 H ALA 32 H ALA 32 -7.307 -6.012 0.591 228 HA ALA 32 HA ALA 32 -4.935 -6.706 2.212 229 HB1 ALA 32 3HB ALA 32 -5.671 -7.743 -0.554 230 HB2 ALA 32 1HB ALA 32 -5.737 -8.671 0.946 231 HB3 ALA 32 2HB ALA 32 -4.182 -8.114 0.322 232 H VAL 33 H VAL 33 -2.912 -6.134 1.087 233 HA VAL 33 HA VAL 33 -3.136 -3.914 -0.860 234 HB VAL 33 HB VAL 33 -2.250 -3.256 1.479 235 HG11 VAL 33 1HG1 VAL 33 0.072 -3.807 2.043 236 HG12 VAL 33 2HG1 VAL 33 0.219 -4.802 0.599 237 HG13 VAL 33 3HG1 VAL 33 -0.883 -5.280 1.893 238 HG21 VAL 33 3HG2 VAL 33 -0.437 -2.739 -0.908 239 HG22 VAL 33 1HG2 VAL 33 -0.463 -1.784 0.579 240 HG23 VAL 33 2HG2 VAL 33 -1.879 -1.818 -0.477 241 H ALA 34 H ALA 34 -1.497 -3.931 -2.486 242 HA ALA 34 HA ALA 34 0.253 -6.308 -2.627 243 HB1 ALA 34 3HB ALA 34 -1.298 -5.074 -4.929 244 HB2 ALA 34 1HB ALA 34 -1.652 -6.622 -4.160 245 HB3 ALA 34 2HB ALA 34 -0.151 -6.406 -5.063 246 H LEU 35 H LEU 35 2.154 -5.375 -2.098 247 HA LEU 35 HA LEU 35 2.905 -2.722 -3.109 248 HB2 LEU 35 2HB LEU 35 3.330 -3.352 -0.714 249 HB3 LEU 35 1HB LEU 35 4.432 -4.602 -1.267 250 HG LEU 35 HG LEU 35 5.805 -2.723 -2.396 251 HD11 LEU 35 1HD1 LEU 35 4.102 -0.938 -0.638 252 HD12 LEU 35 2HD1 LEU 35 4.087 -0.992 -2.403 253 HD13 LEU 35 3HD1 LEU 35 5.532 -0.449 -1.556 254 HD21 LEU 35 3HD2 LEU 35 6.534 -3.830 -0.329 255 HD22 LEU 35 1HD2 LEU 35 5.635 -2.646 0.625 256 HD23 LEU 35 2HD2 LEU 35 7.002 -2.132 -0.370 257 H ASN 36 H ASN 36 3.766 -2.681 -5.069 258 HA ASN 36 HA ASN 36 4.583 -3.253 -7.100 259 HB2 ASN 36 2HB ASN 36 6.560 -4.897 -5.457 260 HB3 ASN 36 1HB ASN 36 6.752 -4.544 -7.173 261 HD21 ASN 36 1HD2 ASN 36 8.590 -3.826 -5.111 262 HD22 ASN 36 2HD2 ASN 36 8.689 -2.100 -5.077 263 H TYR 37 H TYR 37 2.342 -4.553 -6.260 264 HA TYR 37 HA TYR 37 0.860 -6.103 -6.860 265 HB2 TYR 37 2HB TYR 37 3.024 -7.365 -8.590 266 HB3 TYR 37 1HB TYR 37 1.315 -7.795 -8.632 267 HD1 TYR 37 HD1 TYR 37 -0.377 -5.993 -9.322 268 HD2 TYR 37 HD2 TYR 37 3.838 -5.528 -9.912 269 HE1 TYR 37 HE1 TYR 37 -0.806 -4.250 -10.987 270 HE2 TYR 37 HE2 TYR 37 3.410 -3.775 -11.579 271 HH TYR 37 HH TYR 37 0.315 -2.378 -12.005 272 H ASP 38 H ASP 38 3.617 -6.895 -5.116 273 HA ASP 38 HA ASP 38 2.977 -9.643 -4.477 274 HB2 ASP 38 2HB ASP 38 4.815 -7.633 -3.101 275 HB3 ASP 38 1HB ASP 38 4.718 -9.343 -2.686 276 H VAL 39 H VAL 39 1.136 -10.065 -3.406 277 HA VAL 39 HA VAL 39 -0.282 -8.185 -1.828 278 HB VAL 39 HB VAL 39 -0.667 -11.211 -1.946 279 HG11 VAL 39 1HG1 VAL 39 -2.983 -10.768 -1.167 280 HG12 VAL 39 2HG1 VAL 39 -2.613 -9.048 -1.022 281 HG13 VAL 39 3HG1 VAL 39 -1.798 -10.217 0.021 282 HG21 VAL 39 3HG2 VAL 39 -2.431 -10.740 -3.626 283 HG22 VAL 39 1HG2 VAL 39 -0.838 -10.223 -4.187 284 HG23 VAL 39 2HG2 VAL 39 -1.998 -9.029 -3.597 285 H VAL 40 H VAL 40 0.038 -7.660 0.216 286 HA VAL 40 HA VAL 40 1.791 -9.280 1.961 287 HB VAL 40 HB VAL 40 1.098 -6.316 2.138 288 HG11 VAL 40 1HG1 VAL 40 2.863 -6.163 3.871 289 HG12 VAL 40 2HG1 VAL 40 3.090 -7.910 3.791 290 HG13 VAL 40 3HG1 VAL 40 1.562 -7.247 4.371 291 HG21 VAL 40 3HG2 VAL 40 3.694 -7.621 1.230 292 HG22 VAL 40 1HG2 VAL 40 3.434 -5.883 1.424 293 HG23 VAL 40 2HG2 VAL 40 2.544 -6.777 0.189 294 HA PRO 41 HA PRO 41 -1.988 -9.915 4.468 295 HB2 PRO 41 2HB PRO 41 -0.823 -11.155 6.625 296 HB3 PRO 41 1HB PRO 41 -1.077 -11.991 5.075 297 HG2 PRO 41 2HG PRO 41 1.431 -10.698 6.129 298 HG3 PRO 41 1HG PRO 41 1.237 -12.279 5.334 299 HD2 PRO 41 2HD PRO 41 2.114 -10.077 3.988 300 HD3 PRO 41 1HD PRO 41 1.146 -11.340 3.194 301 H ARG 42 H ARG 42 -2.890 -8.985 6.414 302 HA ARG 42 HA ARG 42 -2.133 -6.273 6.536 303 HB2 ARG 42 2HB ARG 42 -4.489 -7.011 6.662 304 HB3 ARG 42 1HB ARG 42 -4.202 -7.669 8.274 305 HG2 ARG 42 2HG ARG 42 -3.707 -5.405 9.130 306 HG3 ARG 42 1HG ARG 42 -3.892 -4.747 7.507 307 HD2 ARG 42 2HD ARG 42 -5.883 -4.276 8.783 308 HD3 ARG 42 1HD ARG 42 -6.264 -5.450 7.516 309 HE ARG 42 HE ARG 42 -5.735 -7.048 9.610 310 HH11 ARG 42 2HH1 ARG 42 -7.801 -4.222 9.364 311 HH12 ARG 42 1HH1 ARG 42 -8.906 -4.784 10.572 312 HH21 ARG 42 2HH2 ARG 42 -7.236 -7.805 11.140 313 HH22 ARG 42 1HH2 ARG 42 -8.590 -6.817 11.581 314 H GLY 43 H GLY 43 -1.622 -8.894 8.825 315 HA2 GLY 43 2HA GLY 43 -0.751 -7.467 11.086 316 HA3 GLY 43 1HA GLY 43 -0.262 -9.092 10.652 317 H LYS 44 H LYS 44 0.877 -8.127 8.055 318 HA LYS 44 HA LYS 44 3.528 -7.424 9.102 319 HB2 LYS 44 2HB LYS 44 2.641 -8.648 6.462 320 HB3 LYS 44 1HB LYS 44 4.302 -8.132 6.779 321 HG2 LYS 44 2HG LYS 44 4.283 -9.680 8.784 322 HG3 LYS 44 1HG LYS 44 2.749 -10.322 8.177 323 HD2 LYS 44 2HD LYS 44 3.798 -11.147 6.170 324 HD3 LYS 44 1HD LYS 44 5.285 -10.250 6.500 325 HE2 LYS 44 2HE LYS 44 4.229 -12.575 8.148 326 HE3 LYS 44 1HE LYS 44 5.555 -12.657 6.983 327 HZ1 LYS 44 3HZ LYS 44 6.391 -12.457 9.229 328 HZ2 LYS 44 1HZ LYS 44 5.523 -11.025 9.474 329 HZ3 LYS 44 2HZ LYS 44 6.783 -11.070 8.350 330 H TRP 45 H TRP 45 0.950 -5.762 7.715 331 HA TRP 45 HA TRP 45 2.163 -4.001 5.867 332 HB2 TRP 45 2HB TRP 45 -0.167 -3.463 7.754 333 HB3 TRP 45 1HB TRP 45 0.336 -2.340 6.497 334 HD1 TRP 45 HD1 TRP 45 0.677 -5.586 4.923 335 HE1 TRP 45 HE1 TRP 45 -1.412 -6.224 3.575 336 HE3 TRP 45 HE3 TRP 45 -2.576 -2.120 6.762 337 HZ2 TRP 45 HZ2 TRP 45 -4.066 -5.373 3.300 338 HZ3 TRP 45 HZ3 TRP 45 -4.878 -2.089 5.885 339 HH2 TRP 45 HH2 TRP 45 -5.615 -3.685 4.187 340 H ASP 46 H ASP 46 2.223 -4.050 9.358 341 HA ASP 46 HA ASP 46 3.403 -1.517 9.898 342 HB2 ASP 46 2HB ASP 46 3.644 -4.087 11.522 343 HB3 ASP 46 1HB ASP 46 3.919 -2.450 12.118 344 H GLU 47 H GLU 47 4.709 -4.746 9.274 345 HA GLU 47 HA GLU 47 7.478 -4.072 9.632 346 HB2 GLU 47 2HB GLU 47 6.250 -6.520 8.299 347 HB3 GLU 47 1HB GLU 47 7.909 -6.364 8.879 348 HG2 GLU 47 2HG GLU 47 6.996 -6.120 11.208 349 HG3 GLU 47 1HG GLU 47 5.385 -6.480 10.572 350 H THR 48 H THR 48 5.255 -3.866 6.983 351 HA THR 48 HA THR 48 7.287 -4.183 4.877 352 HB THR 48 HB THR 48 4.257 -3.861 4.653 353 HG1 THR 48 HG1 THR 48 5.244 -5.851 5.664 354 HG21 THR 48 3HG2 THR 48 6.265 -4.761 2.554 355 HG22 THR 48 1HG2 THR 48 5.463 -3.186 2.581 356 HG23 THR 48 2HG2 THR 48 4.514 -4.655 2.345 357 HA PRO 49 HA PRO 49 7.302 0.417 4.959 358 HB2 PRO 49 2HB PRO 49 9.689 0.841 3.759 359 HB3 PRO 49 1HB PRO 49 9.618 0.142 5.395 360 HG2 PRO 49 2HG PRO 49 10.019 -1.274 2.765 361 HG3 PRO 49 1HG PRO 49 10.881 -1.504 4.306 362 HD2 PRO 49 2HD PRO 49 8.785 -3.117 3.471 363 HD3 PRO 49 1HD PRO 49 9.233 -2.884 5.174 364 H VAL 50 H VAL 50 7.474 2.125 3.296 365 HA VAL 50 HA VAL 50 6.807 1.299 0.526 366 HB VAL 50 HB VAL 50 5.849 3.840 1.935 367 HG11 VAL 50 1HG1 VAL 50 5.131 2.739 -0.812 368 HG12 VAL 50 2HG1 VAL 50 6.144 4.148 -0.495 369 HG13 VAL 50 3HG1 VAL 50 4.430 4.184 -0.074 370 HG21 VAL 50 3HG2 VAL 50 4.671 1.889 2.868 371 HG22 VAL 50 1HG2 VAL 50 4.220 1.368 1.242 372 HG23 VAL 50 2HG2 VAL 50 3.574 2.875 1.897 373 H THR 51 H THR 51 8.023 2.250 -1.036 374 HA THR 51 HA THR 51 9.752 4.573 -0.451 375 HB THR 51 HB THR 51 11.460 3.617 -2.062 376 HG1 THR 51 HG1 THR 51 9.538 1.668 -2.254 377 HG21 THR 51 3HG2 THR 51 12.464 1.967 -0.513 378 HG22 THR 51 1HG2 THR 51 10.931 1.853 0.362 379 HG23 THR 51 2HG2 THR 51 11.845 3.364 0.373 380 H ALA 52 H ALA 52 10.077 5.949 -2.255 381 HA ALA 52 HA ALA 52 7.764 6.464 -3.789 382 HB1 ALA 52 3HB ALA 52 9.351 8.239 -3.099 383 HB2 ALA 52 1HB ALA 52 9.104 8.256 -4.848 384 HB3 ALA 52 2HB ALA 52 10.583 7.571 -4.171 385 H GLY 53 H GLY 53 7.114 5.594 -5.706 386 HA2 GLY 53 2HA GLY 53 7.588 4.997 -8.013 387 HA3 GLY 53 1HA GLY 53 9.066 4.221 -7.480 388 H ASP 54 H ASP 54 7.160 3.244 -5.100 389 HA ASP 54 HA ASP 54 6.788 0.616 -6.120 390 HB2 ASP 54 2HB ASP 54 5.840 1.967 -3.574 391 HB3 ASP 54 1HB ASP 54 5.382 0.307 -3.946 392 H GLU 55 H GLU 55 5.029 -0.447 -6.892 393 HA GLU 55 HA GLU 55 2.610 1.076 -7.537 394 HB2 GLU 55 2HB GLU 55 3.905 -0.544 -9.186 395 HB3 GLU 55 1HB GLU 55 3.057 -1.827 -8.334 396 HG2 GLU 55 2HG GLU 55 1.809 0.443 -9.943 397 HG3 GLU 55 1HG GLU 55 1.882 -1.254 -10.402 398 H ILE 56 H ILE 56 1.354 1.206 -5.744 399 HA ILE 56 HA ILE 56 0.969 -1.086 -3.941 400 HB ILE 56 HB ILE 56 0.233 1.861 -3.627 401 HG12 ILE 56 2HG1 ILE 56 2.563 0.300 -2.418 402 HG13 ILE 56 1HG1 ILE 56 2.690 1.480 -3.718 403 HG21 ILE 56 1HG2 ILE 56 -1.246 0.435 -2.273 404 HG22 ILE 56 2HG2 ILE 56 -0.164 1.372 -1.240 405 HG23 ILE 56 3HG2 ILE 56 0.154 -0.340 -1.533 406 HD11 ILE 56 3HD1 ILE 56 1.941 3.233 -2.172 407 HD12 ILE 56 1HD1 ILE 56 3.407 2.424 -1.625 408 HD13 ILE 56 2HD1 ILE 56 1.860 2.041 -0.873 409 H GLU 57 H GLU 57 -0.543 -2.322 -5.080 410 HA GLU 57 HA GLU 57 -3.068 -1.169 -6.016 411 HB2 GLU 57 2HB GLU 57 -1.874 -2.805 -7.452 412 HB3 GLU 57 1HB GLU 57 -1.990 -4.009 -6.176 413 HG2 GLU 57 2HG GLU 57 -4.492 -3.917 -6.384 414 HG3 GLU 57 1HG GLU 57 -4.296 -2.805 -7.739 415 H ILE 58 H ILE 58 -4.803 -1.116 -4.678 416 HA ILE 58 HA ILE 58 -4.807 -2.577 -2.140 417 HB ILE 58 HB ILE 58 -6.703 -0.439 -3.219 418 HG12 ILE 58 2HG1 ILE 58 -4.608 -0.257 -0.998 419 HG13 ILE 58 1HG1 ILE 58 -4.400 0.368 -2.632 420 HG21 ILE 58 1HG2 ILE 58 -7.711 -0.361 -0.948 421 HG22 ILE 58 2HG2 ILE 58 -6.695 -1.717 -0.452 422 HG23 ILE 58 3HG2 ILE 58 -7.931 -1.948 -1.692 423 HD11 ILE 58 3HD1 ILE 58 -6.247 1.943 -2.246 424 HD12 ILE 58 1HD1 ILE 58 -4.931 2.145 -1.091 425 HD13 ILE 58 2HD1 ILE 58 -6.414 1.331 -0.598 426 H LEU 59 H LEU 59 -6.188 -4.237 -1.738 427 HA LEU 59 HA LEU 59 -8.017 -5.182 -3.865 428 HB2 LEU 59 2HB LEU 59 -6.269 -6.760 -1.936 429 HB3 LEU 59 1HB LEU 59 -7.473 -7.493 -2.990 430 HG LEU 59 HG LEU 59 -5.072 -5.919 -4.023 431 HD11 LEU 59 1HD1 LEU 59 -4.277 -7.889 -2.831 432 HD12 LEU 59 2HD1 LEU 59 -4.035 -8.062 -4.567 433 HD13 LEU 59 3HD1 LEU 59 -5.357 -8.922 -3.772 434 HD21 LEU 59 3HD2 LEU 59 -6.959 -5.990 -5.589 435 HD22 LEU 59 1HD2 LEU 59 -7.031 -7.753 -5.458 436 HD23 LEU 59 2HD2 LEU 59 -5.623 -6.971 -6.184 437 H THR 60 H THR 60 -9.977 -6.031 -3.185 438 HA THR 60 HA THR 60 -10.577 -6.205 -0.288 439 HB THR 60 HB THR 60 -12.610 -5.553 -2.479 440 HG1 THR 60 HG1 THR 60 -10.877 -3.930 -1.051 441 HG21 THR 60 3HG2 THR 60 -13.593 -6.588 -0.454 442 HG22 THR 60 1HG2 THR 60 -14.068 -4.892 -0.589 443 HG23 THR 60 2HG2 THR 60 -12.810 -5.366 0.556 444 HA PRO 61 HA PRO 61 -10.372 -10.299 -2.478 445 HB2 PRO 61 2HB PRO 61 -9.962 -11.345 0.305 446 HB3 PRO 61 1HB PRO 61 -8.974 -11.599 -1.149 447 HG2 PRO 61 2HG PRO 61 -8.105 -10.016 0.803 448 HG3 PRO 61 1HG PRO 61 -7.842 -9.581 -0.903 449 HD2 PRO 61 2HD PRO 61 -9.938 -8.514 1.004 450 HD3 PRO 61 1HD PRO 61 -8.904 -7.628 -0.148 451 H ARG 62 H ARG 62 -12.267 -11.057 -3.106 452 HA ARG 62 HA ARG 62 -14.357 -11.864 -3.241 453 HB2 ARG 62 2HB ARG 62 -13.306 -13.698 -1.887 454 HB3 ARG 62 1HB ARG 62 -13.845 -12.889 -0.422 455 HG2 ARG 62 2HG ARG 62 -16.215 -13.190 -1.188 456 HG3 ARG 62 1HG ARG 62 -15.613 -14.118 -2.565 457 HD2 ARG 62 2HD ARG 62 -14.621 -15.767 -1.011 458 HD3 ARG 62 1HD ARG 62 -15.225 -14.830 0.365 459 HE ARG 62 HE ARG 62 -17.308 -15.538 -1.460 460 HH11 ARG 62 1HH1 ARG 62 -15.406 -16.846 1.189 461 HH12 ARG 62 2HH1 ARG 62 -16.614 -18.007 1.629 462 HH21 ARG 62 2HH2 ARG 62 -18.883 -17.015 -0.847 463 HH22 ARG 62 1HH2 ARG 62 -18.591 -18.103 0.476 464 H GLN 63 H GLN 63 -15.017 -9.585 -3.278 465 HA GLN 63 HA GLN 63 -16.102 -8.415 -0.833 466 HB2 GLN 63 2HB GLN 63 -16.599 -6.425 -2.233 467 HB3 GLN 63 1HB GLN 63 -14.915 -6.916 -2.337 468 HG2 GLN 63 2HG GLN 63 -15.326 -7.932 -4.538 469 HG3 GLN 63 1HG GLN 63 -17.030 -7.500 -4.435 470 HE21 GLN 63 1HE2 GLN 63 -16.579 -4.841 -3.343 471 HE22 GLN 63 2HE2 GLN 63 -15.904 -3.890 -4.616 472 H GLY 64 H GLY 64 -17.294 -9.759 -3.877 473 HA2 GLY 64 2HA GLY 64 -20.028 -9.051 -3.666 474 HA3 GLY 64 1HA GLY 64 -19.346 -10.302 -4.691 475 H GLY 65 H GLY 65 -21.225 -9.681 -1.981 476 HA2 GLY 65 2HA GLY 65 -21.895 -12.400 -1.455 477 HA3 GLY 65 1HA GLY 65 -20.846 -11.748 -0.197 478 H LEU 66 H LEU 66 -23.694 -10.796 -2.104 479 HA LEU 66 HA LEU 66 -24.814 -8.855 -0.477 480 HB2 LEU 66 2HB LEU 66 -25.598 -9.406 -2.771 481 HB3 LEU 66 1HB LEU 66 -26.293 -10.901 -2.172 482 HG LEU 66 HG LEU 66 -27.847 -9.507 -0.707 483 HD11 LEU 66 1HD1 LEU 66 -28.193 -7.143 -1.262 484 HD12 LEU 66 2HD1 LEU 66 -26.819 -7.191 -2.374 485 HD13 LEU 66 3HD1 LEU 66 -26.566 -7.430 -0.643 486 HD21 LEU 66 3HD2 LEU 66 -29.407 -8.951 -2.500 487 HD22 LEU 66 1HD2 LEU 66 -28.639 -10.511 -2.793 488 HD23 LEU 66 2HD2 LEU 66 -28.115 -9.086 -3.698 489 H GLU 67 H GLU 67 -25.326 -12.390 -0.321 490 HA GLU 67 HA GLU 67 -26.600 -12.096 2.342 491 HB2 GLU 67 2HB GLU 67 -27.884 -13.416 0.648 492 HB3 GLU 67 1HB GLU 67 -26.546 -14.552 0.537 493 HG2 GLU 67 2HG GLU 67 -28.305 -15.470 1.957 494 HG3 GLU 67 1HG GLU 67 -26.859 -15.171 2.918 495 H HIS 68 H HIS 68 -23.938 -13.663 0.595 496 HA HIS 68 HA HIS 68 -23.018 -15.237 2.804 497 HB2 HIS 68 2HB HIS 68 -21.721 -14.572 0.135 498 HB3 HIS 68 1HB HIS 68 -20.986 -15.641 1.321 499 HD1 HIS 68 HD1 HIS 68 -22.822 -15.841 -1.651 500 HD2 HIS 68 HD2 HIS 68 -23.039 -17.845 1.979 501 HE1 HIS 68 HE1 HIS 68 -23.966 -18.008 -2.146 502 HE2 HIS 68 HE2 HIS 68 -24.270 -19.104 0.092 503 H HIS 69 H HIS 69 -22.949 -11.980 2.657 504 HA HIS 69 HA HIS 69 -20.404 -11.140 3.341 505 HB2 HIS 69 2HB HIS 69 -21.489 -9.271 4.587 506 HB3 HIS 69 1HB HIS 69 -22.224 -9.529 3.015 507 HD1 HIS 69 HD1 HIS 69 -24.692 -10.061 2.950 508 HD2 HIS 69 HD2 HIS 69 -23.179 -10.002 6.823 509 HE1 HIS 69 HE1 HIS 69 -26.684 -10.186 4.462 510 HE2 HIS 69 HE2 HIS 69 -25.760 -10.103 6.795 511 H HIS 70 H HIS 70 -22.857 -12.693 5.442 512 HA HIS 70 HA HIS 70 -20.907 -13.001 7.607 513 HB2 HIS 70 2HB HIS 70 -22.728 -14.177 8.827 514 HB3 HIS 70 1HB HIS 70 -23.216 -12.573 8.311 515 HD1 HIS 70 HD1 HIS 70 -23.997 -16.186 7.901 516 HD2 HIS 70 HD2 HIS 70 -25.302 -12.563 6.337 517 HE1 HIS 70 HE1 HIS 70 -26.161 -16.688 6.750 518 HE2 HIS 70 HE2 HIS 70 -26.816 -14.525 5.646 519 H HIS 71 H HIS 71 -19.319 -14.322 6.934 520 HA HIS 71 HA HIS 71 -19.793 -16.464 5.020 521 HB2 HIS 71 2HB HIS 71 -17.215 -15.463 6.286 522 HB3 HIS 71 1HB HIS 71 -17.298 -16.701 5.041 523 HD1 HIS 71 HD1 HIS 71 -17.788 -15.940 2.636 524 HD2 HIS 71 HD2 HIS 71 -17.546 -12.833 5.369 525 HE1 HIS 71 HE1 HIS 71 -17.510 -13.861 1.266 526 HE2 HIS 71 HE2 HIS 71 -17.217 -12.021 2.952 527 H HIS 72 H HIS 72 -20.052 -16.390 8.315 528 HA HIS 72 HA HIS 72 -19.941 -17.809 10.060 529 HB2 HIS 72 2HB HIS 72 -21.459 -19.221 8.777 530 HB3 HIS 72 1HB HIS 72 -20.129 -19.922 7.865 531 HD1 HIS 72 HD1 HIS 72 -21.312 -19.789 11.494 532 HD2 HIS 72 HD2 HIS 72 -19.299 -22.309 8.890 533 HE1 HIS 72 HE1 HIS 72 -20.927 -21.899 12.772 534 HE2 HIS 72 HE2 HIS 72 -19.623 -23.378 11.207 535 H HIS 73 H HIS 73 -17.888 -17.126 10.748 536 HA HIS 73 HA HIS 73 -15.713 -19.075 10.404 537 HB2 HIS 73 2HB HIS 73 -14.039 -17.228 10.043 538 HB3 HIS 73 1HB HIS 73 -15.164 -17.442 8.711 539 HD1 HIS 73 HD1 HIS 73 -14.066 -14.996 11.270 540 HD2 HIS 73 HD2 HIS 73 -17.037 -15.281 8.378 541 HE1 HIS 73 HE1 HIS 73 -14.991 -12.687 11.029 542 HE2 HIS 73 HE2 HIS 73 -16.615 -12.843 9.119 Start of MODEL 5 1 H1 MET 1 1H MET 1 7.546 10.753 -0.184 2 H2 MET 1 2H MET 1 5.999 10.080 -0.204 3 H3 MET 1 3H MET 1 6.325 11.463 -1.116 4 HA MET 1 HA MET 1 7.868 10.245 -2.461 5 HB2 MET 1 2HB MET 1 7.973 7.779 -2.289 6 HB3 MET 1 1HB MET 1 8.561 8.561 -0.835 7 HG2 MET 1 2HG MET 1 5.792 7.358 -1.094 8 HG3 MET 1 1HG MET 1 7.186 6.500 -0.444 9 HE1 MET 1 3HE MET 1 7.941 8.546 2.823 10 HE2 MET 1 1HE MET 1 8.681 8.758 1.233 11 HE3 MET 1 2HE MET 1 8.376 7.134 1.860 12 H LEU 2 H LEU 2 7.000 9.994 -4.441 13 HA LEU 2 HA LEU 2 4.150 9.719 -4.837 14 HB2 LEU 2 2HB LEU 2 5.895 11.147 -6.220 15 HB3 LEU 2 1HB LEU 2 6.212 9.648 -7.068 16 HG LEU 2 HG LEU 2 3.526 11.094 -6.963 17 HD11 LEU 2 1HD1 LEU 2 5.145 12.341 -8.277 18 HD12 LEU 2 2HD1 LEU 2 3.914 11.640 -9.324 19 HD13 LEU 2 3HD1 LEU 2 5.519 10.904 -9.237 20 HD21 LEU 2 3HD2 LEU 2 2.779 9.538 -8.730 21 HD22 LEU 2 1HD2 LEU 2 3.155 8.691 -7.232 22 HD23 LEU 2 2HD2 LEU 2 4.292 8.639 -8.582 23 H VAL 3 H VAL 3 3.202 7.773 -4.877 24 HA VAL 3 HA VAL 3 4.558 5.405 -6.008 25 HB VAL 3 HB VAL 3 3.442 3.978 -4.242 26 HG11 VAL 3 1HG1 VAL 3 5.044 4.472 -2.434 27 HG12 VAL 3 2HG1 VAL 3 5.364 6.060 -3.135 28 HG13 VAL 3 3HG1 VAL 3 5.821 4.599 -4.017 29 HG21 VAL 3 3HG2 VAL 3 2.839 6.632 -2.877 30 HG22 VAL 3 1HG2 VAL 3 2.592 5.030 -2.172 31 HG23 VAL 3 2HG2 VAL 3 1.644 5.535 -3.573 32 H THR 4 H THR 4 3.289 4.055 -7.204 33 HA THR 4 HA THR 4 0.794 5.052 -8.266 34 HB THR 4 HB THR 4 2.103 2.349 -8.859 35 HG1 THR 4 HG1 THR 4 3.427 4.420 -9.137 36 HG21 THR 4 3HG2 THR 4 1.014 2.580 -11.044 37 HG22 THR 4 1HG2 THR 4 0.374 4.155 -10.581 38 HG23 THR 4 2HG2 THR 4 -0.188 2.698 -9.754 39 H ILE 5 H ILE 5 -0.873 4.840 -6.753 40 HA ILE 5 HA ILE 5 -1.301 2.229 -5.451 41 HB ILE 5 HB ILE 5 -2.417 4.956 -4.688 42 HG12 ILE 5 2HG1 ILE 5 -0.385 3.162 -3.277 43 HG13 ILE 5 1HG1 ILE 5 0.000 4.636 -4.161 44 HG21 ILE 5 1HG2 ILE 5 -4.067 3.191 -4.192 45 HG22 ILE 5 2HG2 ILE 5 -3.381 3.826 -2.698 46 HG23 ILE 5 3HG2 ILE 5 -2.844 2.262 -3.319 47 HD11 ILE 5 3HD1 ILE 5 -1.306 5.927 -2.523 48 HD12 ILE 5 1HD1 ILE 5 0.028 5.036 -1.795 49 HD13 ILE 5 2HD1 ILE 5 -1.619 4.438 -1.628 50 H ASN 6 H ASN 6 -2.610 0.974 -6.558 51 HA ASN 6 HA ASN 6 -4.305 0.115 -7.779 52 HB2 ASN 6 2HB ASN 6 -5.775 2.636 -6.894 53 HB3 ASN 6 1HB ASN 6 -6.549 1.286 -7.716 54 HD21 ASN 6 1HD2 ASN 6 -6.804 2.479 -4.934 55 HD22 ASN 6 2HD2 ASN 6 -6.701 1.119 -3.883 56 H GLY 7 H GLY 7 -2.305 1.962 -8.995 57 HA2 GLY 7 2HA GLY 7 -1.899 2.390 -11.269 58 HA3 GLY 7 1HA GLY 7 -3.625 2.409 -11.585 59 H GLU 8 H GLU 8 -3.637 4.284 -9.013 60 HA GLU 8 HA GLU 8 -3.510 6.749 -10.569 61 HB2 GLU 8 2HB GLU 8 -4.457 6.139 -7.741 62 HB3 GLU 8 1HB GLU 8 -4.353 7.777 -8.366 63 HG2 GLU 8 2HG GLU 8 -6.630 7.050 -8.510 64 HG3 GLU 8 1HG GLU 8 -5.976 7.202 -10.137 65 H GLN 9 H GLN 9 -1.928 8.243 -10.399 66 HA GLN 9 HA GLN 9 0.502 7.681 -8.956 67 HB2 GLN 9 2HB GLN 9 -0.310 10.185 -10.515 68 HB3 GLN 9 1HB GLN 9 1.328 9.760 -10.007 69 HG2 GLN 9 2HG GLN 9 1.320 7.812 -11.478 70 HG3 GLN 9 1HG GLN 9 -0.359 8.116 -11.918 71 HE21 GLN 9 1HE2 GLN 9 2.945 9.119 -12.359 72 HE22 GLN 9 2HE2 GLN 9 2.662 10.144 -13.718 73 H ARG 10 H ARG 10 0.341 7.871 -6.786 74 HA ARG 10 HA ARG 10 -1.174 10.094 -5.540 75 HB2 ARG 10 2HB ARG 10 -0.323 7.404 -4.380 76 HB3 ARG 10 1HB ARG 10 -1.169 8.665 -3.479 77 HG2 ARG 10 2HG ARG 10 -2.248 7.178 -5.888 78 HG3 ARG 10 1HG ARG 10 -2.661 6.849 -4.205 79 HD2 ARG 10 2HD ARG 10 -3.580 9.197 -4.056 80 HD3 ARG 10 1HD ARG 10 -3.298 9.355 -5.799 81 HE ARG 10 HE ARG 10 -4.853 7.042 -5.052 82 HH11 ARG 10 2HH1 ARG 10 -5.096 10.449 -5.945 83 HH12 ARG 10 1HH1 ARG 10 -6.751 10.309 -6.446 84 HH21 ARG 10 1HH2 ARG 10 -6.999 6.885 -5.715 85 HH22 ARG 10 2HH2 ARG 10 -7.830 8.280 -6.315 86 H GLU 11 H GLU 11 -0.195 11.350 -4.010 87 HA GLU 11 HA GLU 11 2.718 11.038 -3.539 88 HB2 GLU 11 2HB GLU 11 2.078 13.171 -4.644 89 HB3 GLU 11 1HB GLU 11 0.975 13.538 -3.323 90 HG2 GLU 11 2HG GLU 11 3.114 14.795 -3.176 91 HG3 GLU 11 1HG GLU 11 2.814 13.782 -1.761 92 H VAL 12 H VAL 12 2.924 9.893 -1.727 93 HA VAL 12 HA VAL 12 1.176 10.442 0.609 94 HB VAL 12 HB VAL 12 1.444 8.144 1.326 95 HG11 VAL 12 1HG1 VAL 12 0.790 8.195 -1.644 96 HG12 VAL 12 2HG1 VAL 12 -0.332 8.501 -0.314 97 HG13 VAL 12 3HG1 VAL 12 0.368 6.896 -0.525 98 HG21 VAL 12 3HG2 VAL 12 3.336 7.708 -1.020 99 HG22 VAL 12 1HG2 VAL 12 2.739 6.447 0.066 100 HG23 VAL 12 2HG2 VAL 12 3.778 7.729 0.689 101 H GLN 13 H GLN 13 2.228 10.048 2.713 102 HA GLN 13 HA GLN 13 5.159 10.505 2.770 103 HB2 GLN 13 2HB GLN 13 4.920 12.091 4.583 104 HB3 GLN 13 1HB GLN 13 3.865 12.612 3.275 105 HG2 GLN 13 2HG GLN 13 1.941 11.540 4.506 106 HG3 GLN 13 1HG GLN 13 3.036 11.242 5.850 107 HE21 GLN 13 1HE2 GLN 13 1.864 12.531 7.261 108 HE22 GLN 13 2HE2 GLN 13 1.808 14.251 7.147 109 H SER 14 H SER 14 3.046 8.266 3.165 110 HA SER 14 HA SER 14 2.715 7.541 5.817 111 HB2 SER 14 2HB SER 14 2.812 5.707 3.392 112 HB3 SER 14 1HB SER 14 1.971 5.396 4.920 113 HG SER 14 HG SER 14 0.607 7.125 4.461 114 H ALA 15 H ALA 15 5.142 6.375 3.480 115 HA ALA 15 HA ALA 15 7.090 5.266 3.615 116 HB1 ALA 15 3HB ALA 15 7.234 6.343 6.450 117 HB2 ALA 15 1HB ALA 15 7.748 7.204 4.993 118 HB3 ALA 15 2HB ALA 15 8.587 5.733 5.491 119 H SER 16 H SER 16 4.462 4.055 4.892 120 HA SER 16 HA SER 16 5.468 1.445 5.538 121 HB2 SER 16 2HB SER 16 5.763 2.505 7.764 122 HB3 SER 16 1HB SER 16 4.096 3.079 7.738 123 HG SER 16 HG SER 16 5.095 0.491 8.157 124 H VAL 17 H VAL 17 3.820 -0.082 5.297 125 HA VAL 17 HA VAL 17 1.658 0.760 3.616 126 HB VAL 17 HB VAL 17 2.324 -2.016 4.701 127 HG11 VAL 17 1HG1 VAL 17 -0.033 -1.952 3.993 128 HG12 VAL 17 2HG1 VAL 17 0.917 -2.913 2.859 129 HG13 VAL 17 3HG1 VAL 17 0.433 -1.268 2.432 130 HG21 VAL 17 3HG2 VAL 17 3.340 -2.418 2.478 131 HG22 VAL 17 1HG2 VAL 17 4.129 -1.078 3.316 132 HG23 VAL 17 2HG2 VAL 17 2.983 -0.751 2.013 133 H ALA 18 H ALA 18 1.868 -0.308 7.015 134 HA ALA 18 HA ALA 18 -0.894 -0.617 7.546 135 HB1 ALA 18 3HB ALA 18 1.303 0.254 9.463 136 HB2 ALA 18 1HB ALA 18 0.832 -1.411 9.109 137 HB3 ALA 18 2HB ALA 18 -0.296 -0.334 9.931 138 H ALA 19 H ALA 19 1.262 2.157 8.143 139 HA ALA 19 HA ALA 19 -0.563 4.094 8.922 140 HB1 ALA 19 3HB ALA 19 1.977 4.462 7.289 141 HB2 ALA 19 1HB ALA 19 1.884 4.377 9.054 142 HB3 ALA 19 2HB ALA 19 1.142 5.728 8.195 143 H LEU 20 H LEU 20 0.501 3.140 5.695 144 HA LEU 20 HA LEU 20 -0.652 5.149 4.155 145 HB2 LEU 20 2HB LEU 20 1.082 3.600 3.349 146 HB3 LEU 20 1HB LEU 20 -0.052 2.262 3.424 147 HG LEU 20 HG LEU 20 -1.422 3.308 1.635 148 HD11 LEU 20 1HD1 LEU 20 -0.598 5.247 0.389 149 HD12 LEU 20 2HD1 LEU 20 0.736 5.431 1.532 150 HD13 LEU 20 3HD1 LEU 20 -0.931 5.657 2.071 151 HD21 LEU 20 3HD2 LEU 20 0.122 2.945 -0.229 152 HD22 LEU 20 1HD2 LEU 20 0.291 1.697 1.002 153 HD23 LEU 20 2HD2 LEU 20 1.494 2.987 0.885 154 H MET 21 H MET 21 -1.911 1.857 4.790 155 HA MET 21 HA MET 21 -4.301 2.261 3.302 156 HB2 MET 21 2HB MET 21 -3.647 0.063 5.314 157 HB3 MET 21 1HB MET 21 -4.974 0.033 4.154 158 HG2 MET 21 2HG MET 21 -3.257 0.166 2.308 159 HG3 MET 21 1HG MET 21 -2.008 -0.012 3.533 160 HE1 MET 21 3HE MET 21 -4.754 -1.739 1.407 161 HE2 MET 21 1HE MET 21 -5.537 -1.805 2.987 162 HE3 MET 21 2HE MET 21 -4.967 -3.286 2.226 163 H THR 22 H THR 22 -3.436 2.965 6.617 164 HA THR 22 HA THR 22 -6.095 3.410 7.601 165 HB THR 22 HB THR 22 -3.479 4.683 8.514 166 HG1 THR 22 HG1 THR 22 -3.114 2.661 9.008 167 HG21 THR 22 3HG2 THR 22 -4.593 5.044 10.675 168 HG22 THR 22 1HG2 THR 22 -6.084 4.343 10.042 169 HG23 THR 22 2HG2 THR 22 -5.485 5.871 9.394 170 H GLU 23 H GLU 23 -3.624 5.503 6.086 171 HA GLU 23 HA GLU 23 -5.019 7.983 6.385 172 HB2 GLU 23 2HB GLU 23 -2.628 7.164 4.681 173 HB3 GLU 23 1HB GLU 23 -3.201 8.828 4.801 174 HG2 GLU 23 2HG GLU 23 -2.682 8.911 7.157 175 HG3 GLU 23 1HG GLU 23 -2.337 7.182 7.197 176 H LEU 24 H LEU 24 -4.768 5.617 3.802 177 HA LEU 24 HA LEU 24 -6.302 7.089 1.850 178 HB2 LEU 24 2HB LEU 24 -5.600 4.137 1.988 179 HB3 LEU 24 1HB LEU 24 -6.302 4.946 0.593 180 HG LEU 24 HG LEU 24 -3.516 5.448 1.717 181 HD11 LEU 24 1HD1 LEU 24 -3.735 3.242 0.667 182 HD12 LEU 24 2HD1 LEU 24 -2.708 4.311 -0.281 183 HD13 LEU 24 3HD1 LEU 24 -4.364 3.990 -0.806 184 HD21 LEU 24 3HD2 LEU 24 -3.139 6.793 -0.300 185 HD22 LEU 24 1HD2 LEU 24 -4.432 7.476 0.681 186 HD23 LEU 24 2HD2 LEU 24 -4.823 6.575 -0.790 187 H ASP 25 H ASP 25 -7.090 5.421 4.673 188 HA ASP 25 HA ASP 25 -8.870 4.436 5.634 189 HB2 ASP 25 2HB ASP 25 -10.435 5.890 3.457 190 HB3 ASP 25 1HB ASP 25 -11.176 5.074 4.833 191 H CYS 26 H CYS 26 -7.380 3.131 3.555 192 HA CYS 26 HA CYS 26 -9.180 1.305 2.157 193 HB2 CYS 26 2HB CYS 26 -6.175 1.756 2.079 194 HB3 CYS 26 1HB CYS 26 -6.996 0.487 1.165 195 HG CYS 26 HG CYS 26 -8.312 3.519 0.740 196 H THR 27 H THR 27 -9.306 1.122 4.902 197 HA THR 27 HA THR 27 -8.310 -1.590 5.466 198 HB THR 27 HB THR 27 -6.688 -0.048 6.502 199 HG1 THR 27 HG1 THR 27 -8.385 -1.071 8.548 200 HG21 THR 27 3HG2 THR 27 -9.030 1.177 8.012 201 HG22 THR 27 1HG2 THR 27 -8.141 1.958 6.696 202 HG23 THR 27 2HG2 THR 27 -7.325 1.586 8.215 203 H ASP 28 H ASP 28 -10.893 -0.343 4.663 204 HA ASP 28 HA ASP 28 -12.668 -0.608 6.978 205 HB2 ASP 28 2HB ASP 28 -13.034 1.248 5.350 206 HB3 ASP 28 1HB ASP 28 -13.280 0.073 4.065 207 H GLY 29 H GLY 29 -12.351 -2.858 7.369 208 HA2 GLY 29 2HA GLY 29 -13.046 -5.032 7.363 209 HA3 GLY 29 1HA GLY 29 -14.301 -4.569 6.232 210 H HIS 30 H HIS 30 -14.063 -5.077 4.073 211 HA HIS 30 HA HIS 30 -12.175 -7.145 3.395 212 HB2 HIS 30 2HB HIS 30 -14.451 -5.832 1.863 213 HB3 HIS 30 1HB HIS 30 -13.381 -6.987 1.085 214 HD1 HIS 30 HD1 HIS 30 -16.531 -6.847 2.743 215 HD2 HIS 30 HD2 HIS 30 -13.419 -9.591 2.608 216 HE1 HIS 30 HE1 HIS 30 -17.545 -9.047 3.393 217 HE2 HIS 30 HE2 HIS 30 -15.689 -10.719 3.080 218 H TYR 31 H TYR 31 -10.218 -5.719 3.670 219 HA TYR 31 HA TYR 31 -9.417 -4.701 1.028 220 HB2 TYR 31 2HB TYR 31 -9.243 -3.220 3.667 221 HB3 TYR 31 1HB TYR 31 -7.992 -2.956 2.465 222 HD1 TYR 31 HD1 TYR 31 -8.576 -1.940 0.256 223 HD2 TYR 31 HD2 TYR 31 -11.443 -2.192 3.399 224 HE1 TYR 31 HE1 TYR 31 -9.914 -0.195 -0.830 225 HE2 TYR 31 HE2 TYR 31 -12.796 -0.456 2.307 226 HH TYR 31 HH TYR 31 -12.455 1.417 0.711 227 H ALA 32 H ALA 32 -7.413 -5.256 0.446 228 HA ALA 32 HA ALA 32 -5.434 -6.293 2.351 229 HB1 ALA 32 3HB ALA 32 -6.277 -7.661 -0.235 230 HB2 ALA 32 1HB ALA 32 -6.541 -8.274 1.397 231 HB3 ALA 32 2HB ALA 32 -4.901 -8.142 0.759 232 H VAL 33 H VAL 33 -3.254 -6.554 0.935 233 HA VAL 33 HA VAL 33 -3.062 -4.417 -1.091 234 HB VAL 33 HB VAL 33 -2.382 -3.495 1.159 235 HG11 VAL 33 1HG1 VAL 33 -0.260 -4.195 2.192 236 HG12 VAL 33 2HG1 VAL 33 -0.081 -5.472 0.987 237 HG13 VAL 33 3HG1 VAL 33 -1.414 -5.530 2.144 238 HG21 VAL 33 3HG2 VAL 33 -0.146 -3.618 -0.903 239 HG22 VAL 33 1HG2 VAL 33 -0.269 -2.435 0.404 240 HG23 VAL 33 2HG2 VAL 33 -1.482 -2.464 -0.879 241 H ALA 34 H ALA 34 -1.504 -4.723 -2.610 242 HA ALA 34 HA ALA 34 0.304 -7.027 -2.499 243 HB1 ALA 34 3HB ALA 34 -1.265 -6.078 -4.933 244 HB2 ALA 34 1HB ALA 34 -1.546 -7.570 -4.034 245 HB3 ALA 34 2HB ALA 34 -0.041 -7.353 -4.934 246 H LEU 35 H LEU 35 2.198 -6.058 -2.173 247 HA LEU 35 HA LEU 35 2.836 -3.440 -3.314 248 HB2 LEU 35 2HB LEU 35 3.475 -3.918 -0.965 249 HB3 LEU 35 1HB LEU 35 4.449 -5.276 -1.498 250 HG LEU 35 HG LEU 35 5.939 -3.664 -2.758 251 HD11 LEU 35 1HD1 LEU 35 5.821 -1.270 -2.254 252 HD12 LEU 35 2HD1 LEU 35 4.329 -1.523 -1.342 253 HD13 LEU 35 3HD1 LEU 35 4.369 -1.831 -3.082 254 HD21 LEU 35 3HD2 LEU 35 5.714 -3.133 0.218 255 HD22 LEU 35 1HD2 LEU 35 7.127 -2.817 -0.797 256 HD23 LEU 35 2HD2 LEU 35 6.582 -4.473 -0.540 257 H ASN 36 H ASN 36 3.338 -3.547 -5.384 258 HA ASN 36 HA ASN 36 4.083 -4.124 -7.433 259 HB2 ASN 36 2HB ASN 36 6.516 -5.217 -5.946 260 HB3 ASN 36 1HB ASN 36 6.456 -4.687 -7.628 261 HD21 ASN 36 1HD2 ASN 36 6.826 -3.672 -4.348 262 HD22 ASN 36 2HD2 ASN 36 7.032 -1.986 -4.668 263 H TYR 37 H TYR 37 2.204 -5.759 -6.811 264 HA TYR 37 HA TYR 37 1.140 -7.650 -7.380 265 HB2 TYR 37 2HB TYR 37 3.790 -8.600 -8.532 266 HB3 TYR 37 1HB TYR 37 2.275 -9.475 -8.701 267 HD1 TYR 37 HD2 TYR 37 0.413 -8.485 -10.090 268 HD2 TYR 37 HD1 TYR 37 4.296 -6.699 -9.972 269 HE1 TYR 37 HE2 TYR 37 -0.101 -7.228 -12.135 270 HE2 TYR 37 HE1 TYR 37 3.779 -5.437 -12.010 271 HH TYR 37 HH TYR 37 2.262 -5.632 -13.961 272 H ASP 38 H ASP 38 3.778 -7.739 -5.216 273 HA ASP 38 HA ASP 38 3.307 -10.474 -4.282 274 HB2 ASP 38 2HB ASP 38 5.631 -9.723 -4.376 275 HB3 ASP 38 1HB ASP 38 5.253 -8.308 -3.391 276 H VAL 39 H VAL 39 1.534 -10.726 -3.082 277 HA VAL 39 HA VAL 39 0.181 -8.618 -1.726 278 HB VAL 39 HB VAL 39 -0.310 -11.626 -1.595 279 HG11 VAL 39 1HG1 VAL 39 -2.584 -11.059 -0.783 280 HG12 VAL 39 2HG1 VAL 39 -2.145 -9.348 -0.738 281 HG13 VAL 39 3HG1 VAL 39 -1.348 -10.494 0.343 282 HG21 VAL 39 3HG2 VAL 39 -2.099 -11.194 -3.247 283 HG22 VAL 39 1HG2 VAL 39 -0.522 -10.708 -3.880 284 HG23 VAL 39 2HG2 VAL 39 -1.654 -9.484 -3.293 285 H VAL 40 H VAL 40 0.606 -7.815 0.196 286 HA VAL 40 HA VAL 40 2.457 -9.172 2.047 287 HB VAL 40 HB VAL 40 1.490 -6.271 2.047 288 HG11 VAL 40 1HG1 VAL 40 3.341 -5.848 3.656 289 HG12 VAL 40 2HG1 VAL 40 3.697 -7.577 3.691 290 HG13 VAL 40 3HG1 VAL 40 2.153 -6.983 4.306 291 HG21 VAL 40 3HG2 VAL 40 3.736 -5.693 1.181 292 HG22 VAL 40 1HG2 VAL 40 2.860 -6.736 0.058 293 HG23 VAL 40 2HG2 VAL 40 4.140 -7.408 1.074 294 HA PRO 41 HA PRO 41 -1.288 -10.065 4.549 295 HB2 PRO 41 2HB PRO 41 0.009 -11.299 6.659 296 HB3 PRO 41 1HB PRO 41 -0.357 -12.122 5.129 297 HG2 PRO 41 2HG PRO 41 2.221 -10.852 6.018 298 HG3 PRO 41 1HG PRO 41 1.958 -12.413 5.204 299 HD2 PRO 41 2HD PRO 41 2.769 -10.222 3.832 300 HD3 PRO 41 1HD PRO 41 1.685 -11.428 3.099 301 H ARG 42 H ARG 42 -2.178 -9.299 6.530 302 HA ARG 42 HA ARG 42 -1.596 -6.616 7.054 303 HB2 ARG 42 2HB ARG 42 -3.855 -7.601 7.309 304 HB3 ARG 42 1HB ARG 42 -3.325 -8.477 8.744 305 HG2 ARG 42 2HG ARG 42 -2.957 -6.354 9.932 306 HG3 ARG 42 1HG ARG 42 -3.365 -5.450 8.470 307 HD2 ARG 42 2HD ARG 42 -5.243 -5.461 10.026 308 HD3 ARG 42 1HD ARG 42 -5.651 -6.333 8.545 309 HE ARG 42 HE ARG 42 -4.700 -7.925 10.804 310 HH11 ARG 42 2HH1 ARG 42 -7.488 -6.810 8.943 311 HH12 ARG 42 1HH1 ARG 42 -8.541 -8.033 9.571 312 HH21 ARG 42 1HH2 ARG 42 -6.112 -9.501 11.624 313 HH22 ARG 42 2HH2 ARG 42 -7.759 -9.559 11.089 314 H GLY 43 H GLY 43 -0.641 -9.509 8.781 315 HA2 GLY 43 2HA GLY 43 0.392 -8.319 11.135 316 HA3 GLY 43 1HA GLY 43 0.787 -9.906 10.509 317 H LYS 44 H LYS 44 1.502 -7.817 8.038 318 HA LYS 44 HA LYS 44 4.243 -7.206 8.962 319 HB2 LYS 44 2HB LYS 44 3.428 -8.231 6.216 320 HB3 LYS 44 1HB LYS 44 5.046 -7.674 6.649 321 HG2 LYS 44 2HG LYS 44 5.123 -9.491 8.385 322 HG3 LYS 44 1HG LYS 44 3.592 -10.103 7.740 323 HD2 LYS 44 2HD LYS 44 4.670 -10.421 5.530 324 HD3 LYS 44 1HD LYS 44 6.196 -9.810 6.186 325 HE2 LYS 44 2HE LYS 44 4.739 -12.333 7.065 326 HE3 LYS 44 1HE LYS 44 6.216 -12.262 6.099 327 HZ1 LYS 44 3HZ LYS 44 6.760 -12.726 8.371 328 HZ2 LYS 44 1HZ LYS 44 5.905 -11.377 8.918 329 HZ3 LYS 44 2HZ LYS 44 7.306 -11.171 8.002 330 H TRP 45 H TRP 45 1.350 -5.891 7.680 331 HA TRP 45 HA TRP 45 2.103 -4.008 5.797 332 HB2 TRP 45 2HB TRP 45 -0.011 -3.745 7.970 333 HB3 TRP 45 1HB TRP 45 0.204 -2.525 6.724 334 HD1 TRP 45 HD1 TRP 45 0.667 -5.706 4.988 335 HE1 TRP 45 HE1 TRP 45 -1.507 -6.476 3.865 336 HE3 TRP 45 HE3 TRP 45 -2.635 -2.548 7.289 337 HZ2 TRP 45 HZ2 TRP 45 -4.242 -5.829 3.907 338 HZ3 TRP 45 HZ3 TRP 45 -5.021 -2.685 6.689 339 HH2 TRP 45 HH2 TRP 45 -5.810 -4.302 5.027 340 H ASP 46 H ASP 46 2.302 -3.723 9.281 341 HA ASP 46 HA ASP 46 3.306 -1.064 9.442 342 HB2 ASP 46 2HB ASP 46 3.790 -1.626 11.819 343 HB3 ASP 46 1HB ASP 46 2.162 -2.089 11.340 344 H GLU 47 H GLU 47 4.859 -4.253 9.343 345 HA GLU 47 HA GLU 47 7.543 -3.337 9.812 346 HB2 GLU 47 2HB GLU 47 6.590 -5.974 8.619 347 HB3 GLU 47 1HB GLU 47 8.180 -5.655 9.318 348 HG2 GLU 47 2HG GLU 47 7.125 -5.340 11.535 349 HG3 GLU 47 1HG GLU 47 5.540 -5.674 10.825 350 H THR 48 H THR 48 5.525 -3.386 7.037 351 HA THR 48 HA THR 48 7.728 -3.614 5.103 352 HB THR 48 HB THR 48 4.728 -3.485 4.559 353 HG1 THR 48 HG1 THR 48 5.707 -5.367 5.806 354 HG21 THR 48 3HG2 THR 48 7.024 -4.414 2.782 355 HG22 THR 48 1HG2 THR 48 6.159 -2.882 2.607 356 HG23 THR 48 2HG2 THR 48 5.314 -4.409 2.348 357 HA PRO 49 HA PRO 49 7.433 0.955 5.040 358 HB2 PRO 49 2HB PRO 49 9.736 1.471 3.679 359 HB3 PRO 49 1HB PRO 49 9.750 0.943 5.379 360 HG2 PRO 49 2HG PRO 49 10.238 -0.682 2.897 361 HG3 PRO 49 1HG PRO 49 11.114 -0.702 4.445 362 HD2 PRO 49 2HD PRO 49 9.179 -2.547 3.781 363 HD3 PRO 49 1HD PRO 49 9.566 -2.100 5.456 364 H VAL 50 H VAL 50 7.393 2.615 3.356 365 HA VAL 50 HA VAL 50 6.604 1.709 0.642 366 HB VAL 50 HB VAL 50 5.343 3.880 2.391 367 HG11 VAL 50 1HG1 VAL 50 4.892 3.432 -0.582 368 HG12 VAL 50 2HG1 VAL 50 5.561 4.876 0.176 369 HG13 VAL 50 3HG1 VAL 50 3.872 4.446 0.444 370 HG21 VAL 50 3HG2 VAL 50 4.463 1.611 2.756 371 HG22 VAL 50 1HG2 VAL 50 4.147 1.435 1.026 372 HG23 VAL 50 2HG2 VAL 50 3.243 2.618 1.974 373 H THR 51 H THR 51 8.335 2.216 -0.571 374 HA THR 51 HA THR 51 9.868 4.677 -0.144 375 HB THR 51 HB THR 51 11.554 3.617 -1.647 376 HG1 THR 51 HG1 THR 51 9.467 1.980 -2.230 377 HG21 THR 51 3HG2 THR 51 12.261 1.773 -0.156 378 HG22 THR 51 1HG2 THR 51 10.663 1.760 0.592 379 HG23 THR 51 2HG2 THR 51 11.716 3.163 0.785 380 H ALA 52 H ALA 52 10.658 5.723 -2.160 381 HA ALA 52 HA ALA 52 8.499 6.759 -3.644 382 HB1 ALA 52 3HB ALA 52 10.493 8.079 -3.102 383 HB2 ALA 52 1HB ALA 52 10.222 8.061 -4.849 384 HB3 ALA 52 2HB ALA 52 11.486 7.050 -4.140 385 H GLY 53 H GLY 53 7.436 5.759 -5.230 386 HA2 GLY 53 2HA GLY 53 7.286 5.248 -7.516 387 HA3 GLY 53 1HA GLY 53 8.940 4.666 -7.512 388 H ASP 54 H ASP 54 6.957 3.457 -4.907 389 HA ASP 54 HA ASP 54 6.912 0.781 -5.965 390 HB2 ASP 54 2HB ASP 54 5.485 2.012 -3.577 391 HB3 ASP 54 1HB ASP 54 5.391 0.300 -3.980 392 H GLU 55 H GLU 55 5.323 -0.321 -7.022 393 HA GLU 55 HA GLU 55 2.766 0.973 -7.624 394 HB2 GLU 55 2HB GLU 55 3.854 -0.271 -9.462 395 HB3 GLU 55 1HB GLU 55 3.853 -1.741 -8.493 396 HG2 GLU 55 2HG GLU 55 1.358 -1.701 -8.478 397 HG3 GLU 55 1HG GLU 55 1.397 -0.264 -9.501 398 H ILE 56 H ILE 56 1.712 1.026 -5.677 399 HA ILE 56 HA ILE 56 1.433 -1.379 -4.021 400 HB ILE 56 HB ILE 56 0.612 1.507 -3.460 401 HG12 ILE 56 2HG1 ILE 56 3.026 -0.058 -2.441 402 HG13 ILE 56 1HG1 ILE 56 3.085 1.166 -3.703 403 HG21 ILE 56 1HG2 ILE 56 -0.744 -0.077 -2.166 404 HG22 ILE 56 2HG2 ILE 56 0.371 0.780 -1.104 405 HG23 ILE 56 3HG2 ILE 56 0.715 -0.885 -1.582 406 HD11 ILE 56 3HD1 ILE 56 2.393 1.605 -0.805 407 HD12 ILE 56 1HD1 ILE 56 2.375 2.848 -2.061 408 HD13 ILE 56 2HD1 ILE 56 3.885 2.049 -1.633 409 H GLU 57 H GLU 57 -0.116 -2.617 -4.947 410 HA GLU 57 HA GLU 57 -2.620 -1.522 -5.959 411 HB2 GLU 57 2HB GLU 57 -1.680 -3.269 -7.306 412 HB3 GLU 57 1HB GLU 57 -1.393 -4.302 -5.911 413 HG2 GLU 57 2HG GLU 57 -3.809 -4.652 -5.643 414 HG3 GLU 57 1HG GLU 57 -4.130 -3.568 -6.998 415 H ILE 58 H ILE 58 -3.979 -0.927 -4.337 416 HA ILE 58 HA ILE 58 -4.261 -2.447 -1.874 417 HB ILE 58 HB ILE 58 -5.966 -0.153 -2.945 418 HG12 ILE 58 2HG1 ILE 58 -3.656 0.609 -2.497 419 HG13 ILE 58 1HG1 ILE 58 -4.769 1.300 -1.328 420 HG21 ILE 58 1HG2 ILE 58 -6.874 0.024 -0.660 421 HG22 ILE 58 2HG2 ILE 58 -5.927 -1.381 -0.169 422 HG23 ILE 58 3HG2 ILE 58 -7.211 -1.558 -1.364 423 HD11 ILE 58 3HD1 ILE 58 -4.017 -0.337 0.334 424 HD12 ILE 58 1HD1 ILE 58 -2.700 0.654 -0.290 425 HD13 ILE 58 2HD1 ILE 58 -2.888 -1.006 -0.850 426 H LEU 59 H LEU 59 -5.161 -4.394 -2.187 427 HA LEU 59 HA LEU 59 -7.142 -5.019 -4.153 428 HB2 LEU 59 2HB LEU 59 -6.055 -6.518 -1.745 429 HB3 LEU 59 1HB LEU 59 -7.186 -7.228 -2.893 430 HG LEU 59 HG LEU 59 -4.468 -6.131 -3.741 431 HD11 LEU 59 1HD1 LEU 59 -3.602 -8.396 -3.754 432 HD12 LEU 59 2HD1 LEU 59 -5.115 -9.011 -3.082 433 HD13 LEU 59 3HD1 LEU 59 -4.093 -7.936 -2.123 434 HD21 LEU 59 3HD2 LEU 59 -6.069 -6.304 -5.555 435 HD22 LEU 59 1HD2 LEU 59 -6.479 -7.966 -5.101 436 HD23 LEU 59 2HD2 LEU 59 -4.868 -7.578 -5.730 437 H THR 60 H THR 60 -9.337 -5.137 -3.926 438 HA THR 60 HA THR 60 -10.577 -4.747 -1.261 439 HB THR 60 HB THR 60 -12.549 -3.799 -2.451 440 HG1 THR 60 HG1 THR 60 -12.735 -3.945 -4.551 441 HG21 THR 60 3HG2 THR 60 -11.570 -1.665 -3.215 442 HG22 THR 60 1HG2 THR 60 -9.967 -2.406 -3.245 443 HG23 THR 60 2HG2 THR 60 -10.824 -2.212 -1.716 444 HA PRO 61 HA PRO 61 -11.380 -9.015 -3.126 445 HB2 PRO 61 2HB PRO 61 -10.859 -10.122 -0.413 446 HB3 PRO 61 1HB PRO 61 -10.067 -10.513 -1.950 447 HG2 PRO 61 2HG PRO 61 -8.770 -9.160 -0.028 448 HG3 PRO 61 1HG PRO 61 -8.506 -8.815 -1.754 449 HD2 PRO 61 2HD PRO 61 -10.252 -7.312 0.207 450 HD3 PRO 61 1HD PRO 61 -9.076 -6.678 -0.967 451 H ARG 62 H ARG 62 -13.521 -9.279 -3.365 452 HA ARG 62 HA ARG 62 -15.536 -8.155 -1.780 453 HB2 ARG 62 2HB ARG 62 -15.782 -8.715 -4.187 454 HB3 ARG 62 1HB ARG 62 -15.726 -10.434 -3.810 455 HG2 ARG 62 2HG ARG 62 -17.859 -10.136 -2.489 456 HG3 ARG 62 1HG ARG 62 -17.915 -8.464 -3.053 457 HD2 ARG 62 2HD ARG 62 -19.366 -9.757 -4.467 458 HD3 ARG 62 1HD ARG 62 -17.937 -9.336 -5.416 459 HE ARG 62 HE ARG 62 -18.223 -11.990 -4.116 460 HH11 ARG 62 1HH1 ARG 62 -17.626 -10.110 -7.030 461 HH12 ARG 62 2HH1 ARG 62 -17.249 -11.500 -7.991 462 HH21 ARG 62 2HH2 ARG 62 -17.756 -13.801 -5.410 463 HH22 ARG 62 1HH2 ARG 62 -17.325 -13.590 -7.073 464 H GLN 63 H GLN 63 -14.388 -11.471 -2.007 465 HA GLN 63 HA GLN 63 -15.460 -12.145 0.653 466 HB2 GLN 63 2HB GLN 63 -17.058 -13.037 -1.032 467 HB3 GLN 63 1HB GLN 63 -15.744 -13.841 -1.884 468 HG2 GLN 63 2HG GLN 63 -15.376 -15.294 0.110 469 HG3 GLN 63 1HG GLN 63 -16.721 -14.486 0.920 470 HE21 GLN 63 1HE2 GLN 63 -15.827 -16.695 -1.655 471 HE22 GLN 63 2HE2 GLN 63 -17.409 -17.345 -1.901 472 H GLY 64 H GLY 64 -14.158 -13.762 1.720 473 HA2 GLY 64 2HA GLY 64 -11.392 -13.987 0.855 474 HA3 GLY 64 1HA GLY 64 -12.101 -14.607 2.340 475 H GLY 65 H GLY 65 -10.693 -16.483 1.776 476 HA2 GLY 65 2HA GLY 65 -11.921 -18.788 1.269 477 HA3 GLY 65 1HA GLY 65 -11.666 -18.227 -0.377 478 H LEU 66 H LEU 66 -10.303 -19.817 2.277 479 HA LEU 66 HA LEU 66 -7.594 -19.680 2.109 480 HB2 LEU 66 2HB LEU 66 -9.199 -22.264 2.364 481 HB3 LEU 66 1HB LEU 66 -7.515 -22.059 2.832 482 HG LEU 66 HG LEU 66 -9.898 -20.668 4.130 483 HD11 LEU 66 1HD1 LEU 66 -8.120 -22.874 5.201 484 HD12 LEU 66 2HD1 LEU 66 -9.802 -23.041 4.684 485 HD13 LEU 66 3HD1 LEU 66 -9.410 -22.046 6.084 486 HD21 LEU 66 3HD2 LEU 66 -6.951 -20.527 4.869 487 HD22 LEU 66 1HD2 LEU 66 -8.285 -19.856 5.817 488 HD23 LEU 66 2HD2 LEU 66 -7.938 -19.214 4.217 489 H GLU 67 H GLU 67 -9.685 -21.397 -0.147 490 HA GLU 67 HA GLU 67 -7.699 -21.076 -2.245 491 HB2 GLU 67 2HB GLU 67 -7.474 -23.484 -1.268 492 HB3 GLU 67 1HB GLU 67 -9.074 -23.786 -1.935 493 HG2 GLU 67 2HG GLU 67 -8.107 -23.063 -4.195 494 HG3 GLU 67 1HG GLU 67 -6.520 -23.137 -3.436 495 H HIS 68 H HIS 68 -8.820 -21.461 -4.425 496 HA HIS 68 HA HIS 68 -11.717 -20.838 -4.303 497 HB2 HIS 68 2HB HIS 68 -9.696 -20.214 -6.500 498 HB3 HIS 68 1HB HIS 68 -11.422 -19.890 -6.606 499 HD1 HIS 68 HD1 HIS 68 -8.261 -18.538 -5.232 500 HD2 HIS 68 HD2 HIS 68 -12.333 -17.792 -4.903 501 HE1 HIS 68 HE1 HIS 68 -8.449 -16.301 -4.111 502 HE2 HIS 68 HE2 HIS 68 -10.912 -15.783 -4.158 503 H HIS 69 H HIS 69 -12.150 -23.128 -4.026 504 HA HIS 69 HA HIS 69 -11.875 -24.896 -6.297 505 HB2 HIS 69 2HB HIS 69 -13.717 -24.997 -3.867 506 HB3 HIS 69 1HB HIS 69 -13.719 -26.228 -5.122 507 HD1 HIS 69 HD1 HIS 69 -12.075 -25.289 -2.004 508 HD2 HIS 69 HD2 HIS 69 -11.233 -27.708 -5.273 509 HE1 HIS 69 HE1 HIS 69 -10.209 -26.792 -1.270 510 HE2 HIS 69 HE2 HIS 69 -9.596 -28.107 -3.326 511 H HIS 70 H HIS 70 -13.195 -24.995 -8.050 512 HA HIS 70 HA HIS 70 -14.202 -23.993 -9.779 513 HB2 HIS 70 2HB HIS 70 -16.665 -23.773 -9.676 514 HB3 HIS 70 1HB HIS 70 -16.115 -25.272 -8.975 515 HD1 HIS 70 HD1 HIS 70 -17.593 -21.952 -7.967 516 HD2 HIS 70 HD2 HIS 70 -16.929 -25.719 -6.350 517 HE1 HIS 70 HE1 HIS 70 -18.856 -21.987 -5.798 518 HE2 HIS 70 HE2 HIS 70 -18.307 -24.212 -4.775 519 H HIS 71 H HIS 71 -13.648 -22.096 -10.591 520 HA HIS 71 HA HIS 71 -12.534 -20.024 -9.296 521 HB2 HIS 71 2HB HIS 71 -12.282 -20.245 -11.703 522 HB3 HIS 71 1HB HIS 71 -13.987 -19.900 -11.972 523 HD1 HIS 71 HD1 HIS 71 -10.782 -18.172 -10.940 524 HD2 HIS 71 HD2 HIS 71 -14.599 -17.200 -12.237 525 HE1 HIS 71 HE1 HIS 71 -10.752 -15.700 -11.326 526 HE2 HIS 71 HE2 HIS 71 -13.130 -15.111 -11.905 527 H HIS 72 H HIS 72 -15.859 -19.766 -10.550 528 HA HIS 72 HA HIS 72 -17.622 -18.443 -10.094 529 HB2 HIS 72 2HB HIS 72 -17.683 -19.813 -8.062 530 HB3 HIS 72 1HB HIS 72 -16.556 -18.726 -7.254 531 HD1 HIS 72 HD1 HIS 72 -17.487 -16.451 -6.436 532 HD2 HIS 72 HD2 HIS 72 -20.363 -18.946 -8.103 533 HE1 HIS 72 HE1 HIS 72 -19.695 -15.444 -5.818 534 HE2 HIS 72 HE2 HIS 72 -21.417 -16.888 -6.956 535 H HIS 73 H HIS 73 -17.243 -16.540 -11.180 536 HA HIS 73 HA HIS 73 -15.280 -14.642 -10.485 537 HB2 HIS 73 2HB HIS 73 -16.260 -13.188 -12.200 538 HB3 HIS 73 1HB HIS 73 -16.140 -14.837 -12.780 539 HD1 HIS 73 HD1 HIS 73 -18.328 -16.054 -13.386 540 HD2 HIS 73 HD2 HIS 73 -18.930 -12.210 -11.908 541 HE1 HIS 73 HE1 HIS 73 -20.716 -15.486 -13.912 542 HE2 HIS 73 HE2 HIS 73 -20.997 -13.103 -13.161 Start of MODEL 6 1 H1 MET 1 1H MET 1 7.603 10.674 0.376 2 H2 MET 1 2H MET 1 6.111 9.942 0.069 3 H3 MET 1 3H MET 1 6.409 11.514 -0.471 4 HA MET 1 HA MET 1 8.085 10.770 -1.975 5 HB2 MET 1 2HB MET 1 8.563 8.381 -2.292 6 HB3 MET 1 1HB MET 1 8.886 8.856 -0.632 7 HG2 MET 1 2HG MET 1 6.406 7.395 -1.558 8 HG3 MET 1 1HG MET 1 7.810 6.638 -0.814 9 HE1 MET 1 3HE MET 1 7.670 7.799 2.848 10 HE2 MET 1 1HE MET 1 8.659 8.505 1.568 11 HE3 MET 1 2HE MET 1 8.434 6.758 1.644 12 H LEU 2 H LEU 2 7.472 10.444 -4.138 13 HA LEU 2 HA LEU 2 4.657 10.210 -4.756 14 HB2 LEU 2 2HB LEU 2 5.973 11.708 -6.152 15 HB3 LEU 2 1HB LEU 2 7.131 10.440 -6.518 16 HG LEU 2 HG LEU 2 5.276 9.210 -7.760 17 HD11 LEU 2 1HD1 LEU 2 3.295 10.444 -8.473 18 HD12 LEU 2 2HD1 LEU 2 3.755 11.807 -7.451 19 HD13 LEU 2 3HD1 LEU 2 3.333 10.258 -6.719 20 HD21 LEU 2 3HD2 LEU 2 6.023 11.949 -8.818 21 HD22 LEU 2 1HD2 LEU 2 5.418 10.595 -9.778 22 HD23 LEU 2 2HD2 LEU 2 6.977 10.471 -8.969 23 H VAL 3 H VAL 3 3.688 8.326 -4.868 24 HA VAL 3 HA VAL 3 5.121 5.853 -5.702 25 HB VAL 3 HB VAL 3 3.675 4.576 -4.179 26 HG11 VAL 3 1HG1 VAL 3 5.802 5.346 -3.296 27 HG12 VAL 3 2HG1 VAL 3 4.593 5.356 -2.015 28 HG13 VAL 3 3HG1 VAL 3 5.080 6.872 -2.775 29 HG21 VAL 3 3HG2 VAL 3 1.655 5.983 -4.184 30 HG22 VAL 3 1HG2 VAL 3 2.500 7.240 -3.279 31 HG23 VAL 3 2HG2 VAL 3 2.180 5.673 -2.529 32 H THR 4 H THR 4 3.211 4.138 -6.255 33 HA THR 4 HA THR 4 1.068 5.527 -7.794 34 HB THR 4 HB THR 4 2.709 3.076 -8.656 35 HG1 THR 4 HG1 THR 4 3.461 5.385 -8.966 36 HG21 THR 4 3HG2 THR 4 1.374 3.057 -10.705 37 HG22 THR 4 1HG2 THR 4 0.364 4.379 -10.105 38 HG23 THR 4 2HG2 THR 4 0.322 2.798 -9.315 39 H ILE 5 H ILE 5 -0.657 5.239 -6.525 40 HA ILE 5 HA ILE 5 -1.127 2.694 -5.088 41 HB ILE 5 HB ILE 5 -2.600 5.374 -4.849 42 HG12 ILE 5 2HG1 ILE 5 -0.575 4.139 -2.915 43 HG13 ILE 5 1HG1 ILE 5 -0.213 5.441 -4.047 44 HG21 ILE 5 1HG2 ILE 5 -3.640 4.410 -2.814 45 HG22 ILE 5 2HG2 ILE 5 -2.835 2.870 -3.114 46 HG23 ILE 5 3HG2 ILE 5 -4.052 3.464 -4.246 47 HD11 ILE 5 3HD1 ILE 5 -1.807 6.894 -2.934 48 HD12 ILE 5 1HD1 ILE 5 -0.589 6.283 -1.815 49 HD13 ILE 5 2HD1 ILE 5 -2.212 5.599 -1.796 50 H ASN 6 H ASN 6 -2.346 1.251 -6.108 51 HA ASN 6 HA ASN 6 -3.725 0.194 -7.536 52 HB2 ASN 6 2HB ASN 6 -5.281 1.039 -5.726 53 HB3 ASN 6 1HB ASN 6 -5.712 2.399 -6.764 54 HD21 ASN 6 1HD2 ASN 6 -7.059 1.994 -8.580 55 HD22 ASN 6 2HD2 ASN 6 -7.912 0.501 -8.778 56 H GLY 7 H GLY 7 -2.000 1.440 -9.003 57 HA2 GLY 7 2HA GLY 7 -1.613 1.893 -11.226 58 HA3 GLY 7 1HA GLY 7 -3.348 1.916 -11.501 59 H GLU 8 H GLU 8 -2.787 4.071 -9.032 60 HA GLU 8 HA GLU 8 -2.757 6.387 -10.877 61 HB2 GLU 8 2HB GLU 8 -3.803 6.215 -8.003 62 HB3 GLU 8 1HB GLU 8 -3.879 7.632 -9.046 63 HG2 GLU 8 2HG GLU 8 -5.313 5.011 -9.456 64 HG3 GLU 8 1HG GLU 8 -6.039 6.539 -8.965 65 H GLN 9 H GLN 9 -0.740 7.203 -10.998 66 HA GLN 9 HA GLN 9 1.237 7.031 -8.955 67 HB2 GLN 9 2HB GLN 9 2.544 8.635 -10.384 68 HB3 GLN 9 1HB GLN 9 1.949 7.234 -11.263 69 HG2 GLN 9 2HG GLN 9 0.132 8.581 -12.205 70 HG3 GLN 9 1HG GLN 9 0.708 9.994 -11.328 71 HE21 GLN 9 1HE2 GLN 9 0.349 9.748 -14.154 72 HE22 GLN 9 2HE2 GLN 9 1.891 9.988 -14.894 73 H ARG 10 H ARG 10 0.941 7.992 -7.043 74 HA ARG 10 HA ARG 10 -0.055 10.754 -6.836 75 HB2 ARG 10 2HB ARG 10 -1.984 9.124 -6.605 76 HB3 ARG 10 1HB ARG 10 -1.191 8.436 -5.194 77 HG2 ARG 10 2HG ARG 10 -1.396 10.534 -3.981 78 HG3 ARG 10 1HG ARG 10 -2.016 11.355 -5.418 79 HD2 ARG 10 2HD ARG 10 -3.383 9.132 -3.865 80 HD3 ARG 10 1HD ARG 10 -3.858 10.833 -3.928 81 HE ARG 10 HE ARG 10 -4.212 10.437 -6.399 82 HH11 ARG 10 1HH1 ARG 10 -4.636 7.813 -4.088 83 HH12 ARG 10 2HH1 ARG 10 -5.751 6.948 -5.097 84 HH21 ARG 10 1HH2 ARG 10 -5.660 9.280 -7.711 85 HH22 ARG 10 2HH2 ARG 10 -6.328 7.782 -7.145 86 H GLU 11 H GLU 11 0.891 11.862 -5.189 87 HA GLU 11 HA GLU 11 3.175 10.644 -3.858 88 HB2 GLU 11 2HB GLU 11 3.383 12.878 -4.946 89 HB3 GLU 11 1HB GLU 11 2.170 13.531 -3.852 90 HG2 GLU 11 2HG GLU 11 3.675 13.021 -1.932 91 HG3 GLU 11 1HG GLU 11 4.911 12.479 -3.067 92 H VAL 12 H VAL 12 3.147 9.979 -1.822 93 HA VAL 12 HA VAL 12 1.206 11.058 0.158 94 HB VAL 12 HB VAL 12 1.283 8.876 1.349 95 HG11 VAL 12 1HG1 VAL 12 0.362 8.610 -1.540 96 HG12 VAL 12 2HG1 VAL 12 -0.570 9.266 -0.193 97 HG13 VAL 12 3HG1 VAL 12 -0.131 7.561 -0.206 98 HG21 VAL 12 3HG2 VAL 12 3.485 8.059 0.615 99 HG22 VAL 12 1HG2 VAL 12 2.889 7.841 -1.033 100 HG23 VAL 12 2HG2 VAL 12 2.250 6.847 0.279 101 H GLN 13 H GLN 13 2.143 10.582 2.450 102 HA GLN 13 HA GLN 13 5.089 10.990 2.500 103 HB2 GLN 13 2HB GLN 13 3.559 12.981 3.166 104 HB3 GLN 13 1HB GLN 13 3.143 12.055 4.602 105 HG2 GLN 13 2HG GLN 13 4.840 13.622 5.202 106 HG3 GLN 13 1HG GLN 13 5.583 12.028 5.209 107 HE21 GLN 13 1HE2 GLN 13 6.807 14.696 4.970 108 HE22 GLN 13 2HE2 GLN 13 7.729 14.673 3.506 109 H SER 14 H SER 14 2.913 8.687 2.858 110 HA SER 14 HA SER 14 3.365 7.530 5.411 111 HB2 SER 14 2HB SER 14 2.491 6.227 2.797 112 HB3 SER 14 1HB SER 14 2.336 5.517 4.407 113 HG SER 14 HG SER 14 1.175 8.000 3.723 114 H ALA 15 H ALA 15 5.381 6.976 6.018 115 HA ALA 15 HA ALA 15 7.311 5.703 4.250 116 HB1 ALA 15 3HB ALA 15 7.425 6.188 7.253 117 HB2 ALA 15 1HB ALA 15 8.068 7.262 6.008 118 HB3 ALA 15 2HB ALA 15 8.766 5.660 6.234 119 H SER 16 H SER 16 4.690 4.691 6.198 120 HA SER 16 HA SER 16 5.571 1.852 6.217 121 HB2 SER 16 2HB SER 16 5.427 2.752 8.519 122 HB3 SER 16 1HB SER 16 3.785 3.328 8.220 123 HG SER 16 HG SER 16 4.726 0.676 8.509 124 H VAL 17 H VAL 17 4.128 0.371 5.408 125 HA VAL 17 HA VAL 17 1.950 1.239 3.764 126 HB VAL 17 HB VAL 17 2.786 -1.580 4.619 127 HG11 VAL 17 1HG1 VAL 17 0.405 -1.625 4.003 128 HG12 VAL 17 2HG1 VAL 17 1.372 -2.439 2.776 129 HG13 VAL 17 3HG1 VAL 17 0.759 -0.810 2.477 130 HG21 VAL 17 3HG2 VAL 17 3.727 -1.741 2.333 131 HG22 VAL 17 1HG2 VAL 17 4.464 -0.423 3.245 132 HG23 VAL 17 2HG2 VAL 17 3.250 -0.071 2.013 133 H ALA 18 H ALA 18 2.200 -0.017 7.054 134 HA ALA 18 HA ALA 18 -0.484 -0.507 7.673 135 HB1 ALA 18 3HB ALA 18 1.343 -1.083 9.199 136 HB2 ALA 18 1HB ALA 18 0.151 -0.079 10.027 137 HB3 ALA 18 2HB ALA 18 1.677 0.626 9.484 138 H ALA 19 H ALA 19 1.385 2.503 8.072 139 HA ALA 19 HA ALA 19 -0.749 4.187 8.841 140 HB1 ALA 19 3HB ALA 19 0.782 6.039 8.342 141 HB2 ALA 19 1HB ALA 19 1.867 4.931 7.485 142 HB3 ALA 19 2HB ALA 19 1.609 4.755 9.220 143 H LEU 20 H LEU 20 0.582 3.338 5.660 144 HA LEU 20 HA LEU 20 -0.726 5.309 4.127 145 HB2 LEU 20 2HB LEU 20 1.150 3.960 3.248 146 HB3 LEU 20 1HB LEU 20 0.145 2.518 3.291 147 HG LEU 20 HG LEU 20 -1.359 3.508 1.568 148 HD11 LEU 20 1HD1 LEU 20 -0.728 5.545 0.355 149 HD12 LEU 20 2HD1 LEU 20 0.589 5.831 1.494 150 HD13 LEU 20 3HD1 LEU 20 -1.087 5.880 2.048 151 HD21 LEU 20 3HD2 LEU 20 0.157 3.329 -0.341 152 HD22 LEU 20 1HD2 LEU 20 0.475 2.069 0.850 153 HD23 LEU 20 2HD2 LEU 20 1.552 3.463 0.734 154 H MET 21 H MET 21 -1.624 1.903 4.708 155 HA MET 21 HA MET 21 -4.052 1.930 3.281 156 HB2 MET 21 2HB MET 21 -3.161 0.136 5.585 157 HB3 MET 21 1HB MET 21 -4.565 -0.171 4.569 158 HG2 MET 21 2HG MET 21 -1.707 -0.038 3.576 159 HG3 MET 21 1HG MET 21 -2.596 -1.520 3.921 160 HE1 MET 21 3HE MET 21 -5.473 -1.080 2.799 161 HE2 MET 21 1HE MET 21 -4.504 -2.506 2.415 162 HE3 MET 21 2HE MET 21 -5.294 -1.601 1.123 163 H THR 22 H THR 22 -3.280 2.802 6.618 164 HA THR 22 HA THR 22 -5.958 3.070 7.582 165 HB THR 22 HB THR 22 -3.399 4.408 8.588 166 HG1 THR 22 HG1 THR 22 -3.584 1.982 8.472 167 HG21 THR 22 3HG2 THR 22 -4.553 4.544 10.759 168 HG22 THR 22 1HG2 THR 22 -6.020 3.867 10.047 169 HG23 THR 22 2HG2 THR 22 -5.439 5.457 9.542 170 H GLU 23 H GLU 23 -3.637 5.321 6.121 171 HA GLU 23 HA GLU 23 -5.345 7.632 6.309 172 HB2 GLU 23 2HB GLU 23 -2.625 7.061 5.134 173 HB3 GLU 23 1HB GLU 23 -3.507 8.430 4.468 174 HG2 GLU 23 2HG GLU 23 -2.011 9.192 6.209 175 HG3 GLU 23 1HG GLU 23 -3.677 9.444 6.705 176 H LEU 24 H LEU 24 -5.037 5.028 4.026 177 HA LEU 24 HA LEU 24 -6.649 6.368 1.979 178 HB2 LEU 24 2HB LEU 24 -5.686 3.477 2.209 179 HB3 LEU 24 1HB LEU 24 -6.521 4.155 0.820 180 HG LEU 24 HG LEU 24 -3.757 4.975 1.797 181 HD11 LEU 24 1HD1 LEU 24 -4.547 3.420 -0.683 182 HD12 LEU 24 2HD1 LEU 24 -3.719 2.782 0.741 183 HD13 LEU 24 3HD1 LEU 24 -2.918 3.972 -0.279 184 HD21 LEU 24 3HD2 LEU 24 -3.619 6.354 -0.240 185 HD22 LEU 24 1HD2 LEU 24 -4.885 6.902 0.858 186 HD23 LEU 24 2HD2 LEU 24 -5.311 5.992 -0.590 187 H ASP 25 H ASP 25 -7.200 4.931 4.931 188 HA ASP 25 HA ASP 25 -8.958 4.236 6.129 189 HB2 ASP 25 2HB ASP 25 -9.953 6.363 5.083 190 HB3 ASP 25 1HB ASP 25 -10.743 5.321 3.911 191 H CYS 26 H CYS 26 -7.719 2.482 4.326 192 HA CYS 26 HA CYS 26 -9.781 0.573 3.432 193 HB2 CYS 26 2HB CYS 26 -8.154 1.498 1.729 194 HB3 CYS 26 1HB CYS 26 -6.832 0.788 2.651 195 HG CYS 26 HG CYS 26 -7.490 -1.803 2.157 196 H THR 27 H THR 27 -9.138 0.855 6.210 197 HA THR 27 HA THR 27 -7.775 -1.714 6.838 198 HB THR 27 HB THR 27 -7.233 -0.596 9.095 199 HG1 THR 27 HG1 THR 27 -7.483 1.561 9.282 200 HG21 THR 27 3HG2 THR 27 -5.928 0.578 6.619 201 HG22 THR 27 1HG2 THR 27 -5.468 -0.916 7.426 202 HG23 THR 27 2HG2 THR 27 -5.258 0.626 8.248 203 H ASP 28 H ASP 28 -10.804 -0.424 6.723 204 HA ASP 28 HA ASP 28 -11.703 -0.909 9.442 205 HB2 ASP 28 2HB ASP 28 -13.921 -0.122 8.654 206 HB3 ASP 28 1HB ASP 28 -12.638 1.005 8.253 207 H GLY 29 H GLY 29 -11.212 -3.036 6.897 208 HA2 GLY 29 2HA GLY 29 -12.699 -5.156 8.127 209 HA3 GLY 29 1HA GLY 29 -13.508 -4.584 6.669 210 H HIS 30 H HIS 30 -13.194 -6.425 5.409 211 HA HIS 30 HA HIS 30 -10.611 -7.729 5.353 212 HB2 HIS 30 2HB HIS 30 -11.625 -9.319 3.732 213 HB3 HIS 30 1HB HIS 30 -12.492 -9.211 5.249 214 HD1 HIS 30 HD1 HIS 30 -14.924 -8.531 5.156 215 HD2 HIS 30 HD2 HIS 30 -13.063 -8.409 1.444 216 HE1 HIS 30 HE1 HIS 30 -16.772 -8.346 3.474 217 HE2 HIS 30 HE2 HIS 30 -15.625 -8.185 1.254 218 H TYR 31 H TYR 31 -9.138 -6.383 4.541 219 HA TYR 31 HA TYR 31 -9.259 -5.740 1.649 220 HB2 TYR 31 2HB TYR 31 -8.065 -3.958 3.830 221 HB3 TYR 31 1HB TYR 31 -8.014 -3.638 2.103 222 HD1 TYR 31 HD1 TYR 31 -10.230 -3.165 0.881 223 HD2 TYR 31 HD2 TYR 31 -9.937 -3.244 5.139 224 HE1 TYR 31 HE1 TYR 31 -12.317 -1.882 1.051 225 HE2 TYR 31 HE2 TYR 31 -12.021 -1.964 5.303 226 HH TYR 31 HH TYR 31 -13.328 -0.401 3.911 227 H ALA 32 H ALA 32 -7.052 -5.283 0.811 228 HA ALA 32 HA ALA 32 -4.714 -6.216 2.239 229 HB1 ALA 32 3HB ALA 32 -4.034 -7.855 0.507 230 HB2 ALA 32 1HB ALA 32 -5.573 -7.630 -0.332 231 HB3 ALA 32 2HB ALA 32 -5.539 -8.349 1.280 232 H VAL 33 H VAL 33 -2.783 -6.060 0.535 233 HA VAL 33 HA VAL 33 -3.225 -3.969 -1.475 234 HB VAL 33 HB VAL 33 -2.717 -2.663 0.532 235 HG11 VAL 33 1HG1 VAL 33 -0.084 -4.147 0.761 236 HG12 VAL 33 2HG1 VAL 33 -1.473 -4.341 1.829 237 HG13 VAL 33 3HG1 VAL 33 -0.627 -2.798 1.764 238 HG21 VAL 33 3HG2 VAL 33 -0.371 -2.654 -1.401 239 HG22 VAL 33 1HG2 VAL 33 -0.798 -1.345 -0.292 240 HG23 VAL 33 2HG2 VAL 33 -1.896 -1.788 -1.599 241 H ALA 34 H ALA 34 -2.339 -4.767 -3.276 242 HA ALA 34 HA ALA 34 -0.076 -6.585 -3.242 243 HB1 ALA 34 3HB ALA 34 -0.261 -6.480 -5.700 244 HB2 ALA 34 1HB ALA 34 -1.475 -5.203 -5.562 245 HB3 ALA 34 2HB ALA 34 -1.817 -6.822 -4.951 246 H LEU 35 H LEU 35 1.638 -5.511 -2.347 247 HA LEU 35 HA LEU 35 2.577 -2.986 -3.514 248 HB2 LEU 35 2HB LEU 35 2.732 -3.169 -1.082 249 HB3 LEU 35 1HB LEU 35 3.670 -4.654 -1.207 250 HG LEU 35 HG LEU 35 5.551 -3.403 -2.226 251 HD11 LEU 35 1HD1 LEU 35 3.844 -0.929 -1.875 252 HD12 LEU 35 2HD1 LEU 35 4.315 -1.673 -3.404 253 HD13 LEU 35 3HD1 LEU 35 5.541 -0.958 -2.364 254 HD21 LEU 35 3HD2 LEU 35 4.592 -2.146 0.359 255 HD22 LEU 35 1HD2 LEU 35 6.240 -2.082 -0.273 256 HD23 LEU 35 2HD2 LEU 35 5.539 -3.625 0.196 257 H ASN 36 H ASN 36 3.917 -2.981 -5.142 258 HA ASN 36 HA ASN 36 5.223 -3.576 -6.878 259 HB2 ASN 36 2HB ASN 36 6.451 -5.706 -5.062 260 HB3 ASN 36 1HB ASN 36 7.178 -4.978 -6.491 261 HD21 ASN 36 1HD2 ASN 36 6.293 -2.227 -5.721 262 HD22 ASN 36 2HD2 ASN 36 7.324 -1.760 -4.421 263 H TYR 37 H TYR 37 2.633 -4.787 -6.378 264 HA TYR 37 HA TYR 37 1.135 -6.171 -7.287 265 HB2 TYR 37 2HB TYR 37 3.372 -7.342 -8.996 266 HB3 TYR 37 1HB TYR 37 1.652 -7.631 -9.223 267 HD1 TYR 37 HD2 TYR 37 0.180 -5.449 -9.575 268 HD2 TYR 37 HD1 TYR 37 4.385 -5.611 -10.267 269 HE1 TYR 37 HE2 TYR 37 0.018 -3.467 -11.005 270 HE2 TYR 37 HE1 TYR 37 4.228 -3.622 -11.696 271 HH TYR 37 HH TYR 37 1.580 -1.605 -11.765 272 H ASP 38 H ASP 38 3.253 -7.025 -5.101 273 HA ASP 38 HA ASP 38 2.448 -9.870 -4.887 274 HB2 ASP 38 2HB ASP 38 4.890 -9.453 -4.795 275 HB3 ASP 38 1HB ASP 38 4.673 -8.305 -3.481 276 H VAL 39 H VAL 39 0.996 -10.432 -3.294 277 HA VAL 39 HA VAL 39 -0.510 -8.328 -2.060 278 HB VAL 39 HB VAL 39 -0.862 -11.344 -1.676 279 HG11 VAL 39 1HG1 VAL 39 -3.207 -10.770 -1.154 280 HG12 VAL 39 2HG1 VAL 39 -2.836 -9.053 -1.328 281 HG13 VAL 39 3HG1 VAL 39 -2.092 -9.989 -0.031 282 HG21 VAL 39 3HG2 VAL 39 -2.501 -11.249 -3.522 283 HG22 VAL 39 1HG2 VAL 39 -0.882 -10.806 -4.073 284 HG23 VAL 39 2HG2 VAL 39 -2.095 -9.553 -3.801 285 H VAL 40 H VAL 40 -0.289 -7.538 -0.098 286 HA VAL 40 HA VAL 40 1.457 -8.818 1.913 287 HB VAL 40 HB VAL 40 0.626 -5.872 1.806 288 HG11 VAL 40 1HG1 VAL 40 2.527 -5.513 3.339 289 HG12 VAL 40 2HG1 VAL 40 2.864 -7.246 3.344 290 HG13 VAL 40 3HG1 VAL 40 1.354 -6.640 4.027 291 HG21 VAL 40 3HG2 VAL 40 3.204 -7.078 0.748 292 HG22 VAL 40 1HG2 VAL 40 2.825 -5.355 0.850 293 HG23 VAL 40 2HG2 VAL 40 1.898 -6.400 -0.228 294 HA PRO 41 HA PRO 41 -2.527 -9.222 4.222 295 HB2 PRO 41 2HB PRO 41 -1.502 -10.718 6.297 296 HB3 PRO 41 1HB PRO 41 -1.913 -11.422 4.720 297 HG2 PRO 41 2HG PRO 41 0.765 -10.568 5.757 298 HG3 PRO 41 1HG PRO 41 0.320 -12.050 4.881 299 HD2 PRO 41 2HD PRO 41 1.491 -9.944 3.630 300 HD3 PRO 41 1HD PRO 41 0.306 -10.983 2.807 301 H ARG 42 H ARG 42 -3.198 -8.611 6.432 302 HA ARG 42 HA ARG 42 -2.548 -5.970 6.942 303 HB2 ARG 42 2HB ARG 42 -4.725 -6.953 7.525 304 HB3 ARG 42 1HB ARG 42 -3.967 -7.924 8.784 305 HG2 ARG 42 2HG ARG 42 -3.378 -5.888 10.028 306 HG3 ARG 42 1HG ARG 42 -4.081 -4.889 8.754 307 HD2 ARG 42 2HD ARG 42 -5.635 -6.923 10.375 308 HD3 ARG 42 1HD ARG 42 -5.551 -5.205 10.758 309 HE ARG 42 HE ARG 42 -6.676 -6.237 8.214 310 HH11 ARG 42 2HH1 ARG 42 -6.943 -4.126 11.015 311 HH12 ARG 42 1HH1 ARG 42 -8.404 -3.375 10.458 312 HH21 ARG 42 2HH2 ARG 42 -8.570 -5.213 7.484 313 HH22 ARG 42 1HH2 ARG 42 -9.318 -3.995 8.464 314 H GLY 43 H GLY 43 -1.504 -8.860 8.698 315 HA2 GLY 43 2HA GLY 43 -0.232 -7.638 10.889 316 HA3 GLY 43 1HA GLY 43 0.114 -9.246 10.269 317 H LYS 44 H LYS 44 0.874 -8.151 7.587 318 HA LYS 44 HA LYS 44 3.682 -7.732 8.203 319 HB2 LYS 44 2HB LYS 44 2.181 -8.253 5.625 320 HB3 LYS 44 1HB LYS 44 3.872 -7.758 5.617 321 HG2 LYS 44 2HG LYS 44 4.407 -9.748 7.057 322 HG3 LYS 44 1HG LYS 44 2.727 -10.264 6.884 323 HD2 LYS 44 2HD LYS 44 4.165 -11.452 5.305 324 HD3 LYS 44 1HD LYS 44 3.018 -10.426 4.451 325 HE2 LYS 44 2HE LYS 44 5.187 -10.281 3.380 326 HE3 LYS 44 1HE LYS 44 4.821 -8.729 4.131 327 HZ1 LYS 44 3HZ LYS 44 6.239 -9.390 6.008 328 HZ2 LYS 44 1HZ LYS 44 7.095 -9.356 4.548 329 HZ3 LYS 44 2HZ LYS 44 6.617 -10.833 5.213 330 H TRP 45 H TRP 45 0.921 -5.819 7.240 331 HA TRP 45 HA TRP 45 1.973 -3.748 5.706 332 HB2 TRP 45 2HB TRP 45 -0.208 -3.570 7.830 333 HB3 TRP 45 1HB TRP 45 0.184 -2.241 6.746 334 HD1 TRP 45 HD1 TRP 45 0.434 -4.867 4.400 335 HE1 TRP 45 HE1 TRP 45 -1.784 -5.385 3.226 336 HE3 TRP 45 HE3 TRP 45 -2.767 -2.532 7.619 337 HZ2 TRP 45 HZ2 TRP 45 -4.523 -4.849 3.571 338 HZ3 TRP 45 HZ3 TRP 45 -5.178 -2.590 7.126 339 HH2 TRP 45 HH2 TRP 45 -6.041 -3.719 5.142 340 H ASP 46 H ASP 46 2.099 -4.161 9.181 341 HA ASP 46 HA ASP 46 3.189 -1.694 9.979 342 HB2 ASP 46 2HB ASP 46 3.515 -4.467 11.225 343 HB3 ASP 46 1HB ASP 46 3.858 -2.940 12.038 344 H GLU 47 H GLU 47 4.768 -4.814 9.339 345 HA GLU 47 HA GLU 47 7.450 -3.716 9.613 346 HB2 GLU 47 2HB GLU 47 6.586 -6.567 8.937 347 HB3 GLU 47 1HB GLU 47 8.185 -6.046 9.464 348 HG2 GLU 47 2HG GLU 47 7.149 -5.321 11.657 349 HG3 GLU 47 1HG GLU 47 5.635 -6.035 11.110 350 H THR 48 H THR 48 5.326 -3.658 7.120 351 HA THR 48 HA THR 48 7.384 -3.898 5.008 352 HB THR 48 HB THR 48 4.344 -3.768 4.680 353 HG1 THR 48 HG1 THR 48 5.355 -5.709 5.721 354 HG21 THR 48 3HG2 THR 48 6.520 -4.546 2.689 355 HG22 THR 48 1HG2 THR 48 5.648 -3.012 2.689 356 HG23 THR 48 2HG2 THR 48 4.782 -4.515 2.381 357 HA PRO 49 HA PRO 49 6.928 0.678 5.132 358 HB2 PRO 49 2HB PRO 49 9.314 1.313 3.990 359 HB3 PRO 49 1HB PRO 49 9.215 0.716 5.660 360 HG2 PRO 49 2HG PRO 49 10.018 -0.748 3.178 361 HG3 PRO 49 1HG PRO 49 10.693 -0.852 4.818 362 HD2 PRO 49 2HD PRO 49 8.857 -2.661 3.730 363 HD3 PRO 49 1HD PRO 49 9.167 -2.442 5.466 364 H VAL 50 H VAL 50 6.789 2.383 3.482 365 HA VAL 50 HA VAL 50 6.090 1.480 0.765 366 HB VAL 50 HB VAL 50 5.770 4.251 2.045 367 HG11 VAL 50 1HG1 VAL 50 4.585 3.131 -0.520 368 HG12 VAL 50 2HG1 VAL 50 5.852 4.355 -0.401 369 HG13 VAL 50 3HG1 VAL 50 4.228 4.713 0.180 370 HG21 VAL 50 3HG2 VAL 50 3.371 3.705 2.285 371 HG22 VAL 50 1HG2 VAL 50 4.384 2.612 3.229 372 HG23 VAL 50 2HG2 VAL 50 3.680 2.065 1.706 373 H THR 51 H THR 51 7.121 2.429 -1.074 374 HA THR 51 HA THR 51 9.834 3.557 -0.609 375 HB THR 51 HB THR 51 9.162 1.691 -2.931 376 HG1 THR 51 HG1 THR 51 8.611 0.587 -1.027 377 HG21 THR 51 3HG2 THR 51 11.330 2.902 -3.024 378 HG22 THR 51 1HG2 THR 51 11.571 1.165 -2.834 379 HG23 THR 51 2HG2 THR 51 11.770 2.237 -1.447 380 H ALA 52 H ALA 52 10.547 5.129 -2.154 381 HA ALA 52 HA ALA 52 8.647 6.651 -3.570 382 HB1 ALA 52 3HB ALA 52 10.787 7.561 -2.775 383 HB2 ALA 52 1HB ALA 52 10.601 7.832 -4.508 384 HB3 ALA 52 2HB ALA 52 11.669 6.551 -3.925 385 H GLY 53 H GLY 53 7.532 5.957 -5.281 386 HA2 GLY 53 2HA GLY 53 7.137 5.475 -7.494 387 HA3 GLY 53 1HA GLY 53 8.859 5.247 -7.741 388 H ASP 54 H ASP 54 6.829 3.535 -5.383 389 HA ASP 54 HA ASP 54 7.355 0.971 -6.757 390 HB2 ASP 54 2HB ASP 54 6.377 -0.063 -4.683 391 HB3 ASP 54 1HB ASP 54 7.788 0.937 -4.377 392 H GLU 55 H GLU 55 5.532 -0.621 -6.907 393 HA GLU 55 HA GLU 55 3.111 0.672 -7.983 394 HB2 GLU 55 2HB GLU 55 4.307 -2.090 -8.452 395 HB3 GLU 55 1HB GLU 55 2.769 -1.560 -9.127 396 HG2 GLU 55 2HG GLU 55 5.462 -0.291 -9.672 397 HG3 GLU 55 1HG GLU 55 4.611 -1.389 -10.755 398 H ILE 56 H ILE 56 2.103 1.023 -6.063 399 HA ILE 56 HA ILE 56 1.298 -1.135 -4.255 400 HB ILE 56 HB ILE 56 0.653 1.872 -4.343 401 HG12 ILE 56 2HG1 ILE 56 2.561 0.339 -2.525 402 HG13 ILE 56 1HG1 ILE 56 3.056 1.313 -3.905 403 HG21 ILE 56 1HG2 ILE 56 -0.230 1.655 -2.061 404 HG22 ILE 56 2HG2 ILE 56 0.041 -0.087 -2.102 405 HG23 ILE 56 3HG2 ILE 56 -1.149 0.643 -3.179 406 HD11 ILE 56 3HD1 ILE 56 3.423 2.546 -1.922 407 HD12 ILE 56 1HD1 ILE 56 1.774 2.270 -1.368 408 HD13 ILE 56 2HD1 ILE 56 2.071 3.290 -2.776 409 H GLU 57 H GLU 57 -0.844 -1.941 -4.213 410 HA GLU 57 HA GLU 57 -2.914 -0.685 -5.873 411 HB2 GLU 57 2HB GLU 57 -1.849 -2.394 -7.372 412 HB3 GLU 57 1HB GLU 57 -2.195 -3.645 -6.179 413 HG2 GLU 57 2HG GLU 57 -4.648 -3.149 -6.445 414 HG3 GLU 57 1HG GLU 57 -4.241 -2.009 -7.727 415 H ILE 58 H ILE 58 -4.894 -0.860 -4.929 416 HA ILE 58 HA ILE 58 -5.062 -2.104 -2.299 417 HB ILE 58 HB ILE 58 -7.133 -0.512 -3.896 418 HG12 ILE 58 2HG1 ILE 58 -5.141 0.821 -3.304 419 HG13 ILE 58 1HG1 ILE 58 -6.539 1.363 -2.386 420 HG21 ILE 58 1HG2 ILE 58 -8.368 -0.287 -1.752 421 HG22 ILE 58 2HG2 ILE 58 -7.217 -1.371 -0.970 422 HG23 ILE 58 3HG2 ILE 58 -8.257 -1.973 -2.263 423 HD11 ILE 58 3HD1 ILE 58 -5.698 0.106 -0.423 424 HD12 ILE 58 1HD1 ILE 58 -4.577 1.340 -0.992 425 HD13 ILE 58 2HD1 ILE 58 -4.273 -0.352 -1.362 426 H LEU 59 H LEU 59 -6.085 -3.919 -1.860 427 HA LEU 59 HA LEU 59 -7.664 -5.322 -3.928 428 HB2 LEU 59 2HB LEU 59 -5.463 -6.369 -2.114 429 HB3 LEU 59 1HB LEU 59 -6.708 -7.458 -2.709 430 HG LEU 59 HG LEU 59 -4.935 -5.811 -4.565 431 HD11 LEU 59 1HD1 LEU 59 -3.648 -7.859 -4.957 432 HD12 LEU 59 2HD1 LEU 59 -4.560 -8.703 -3.702 433 HD13 LEU 59 3HD1 LEU 59 -3.521 -7.336 -3.281 434 HD21 LEU 59 3HD2 LEU 59 -7.054 -6.498 -5.572 435 HD22 LEU 59 1HD2 LEU 59 -6.782 -8.177 -5.085 436 HD23 LEU 59 2HD2 LEU 59 -5.724 -7.409 -6.282 437 H THR 60 H THR 60 -9.400 -6.424 -3.214 438 HA THR 60 HA THR 60 -10.083 -6.438 -0.330 439 HB THR 60 HB THR 60 -12.514 -6.325 -1.079 440 HG1 THR 60 HG1 THR 60 -11.509 -6.665 -3.464 441 HG21 THR 60 3HG2 THR 60 -12.572 -3.893 -1.504 442 HG22 THR 60 1HG2 THR 60 -10.844 -3.904 -1.865 443 HG23 THR 60 2HG2 THR 60 -11.409 -4.281 -0.236 444 HA PRO 61 HA PRO 61 -10.018 -10.857 -1.752 445 HB2 PRO 61 2HB PRO 61 -8.940 -11.892 0.540 446 HB3 PRO 61 1HB PRO 61 -7.928 -11.155 -0.719 447 HG2 PRO 61 2HG PRO 61 -8.907 -9.950 1.847 448 HG3 PRO 61 1HG PRO 61 -7.284 -9.882 1.124 449 HD2 PRO 61 2HD PRO 61 -9.072 -7.838 0.898 450 HD3 PRO 61 1HD PRO 61 -7.867 -8.194 -0.358 451 H ARG 62 H ARG 62 -11.616 -12.377 -1.221 452 HA ARG 62 HA ARG 62 -13.580 -13.216 -0.474 453 HB2 ARG 62 2HB ARG 62 -12.859 -11.829 2.149 454 HB3 ARG 62 1HB ARG 62 -14.176 -12.975 1.961 455 HG2 ARG 62 2HG ARG 62 -11.246 -13.630 1.515 456 HG3 ARG 62 1HG ARG 62 -12.149 -13.976 2.990 457 HD2 ARG 62 2HD ARG 62 -12.727 -15.127 0.237 458 HD3 ARG 62 1HD ARG 62 -11.962 -15.975 1.584 459 HE ARG 62 HE ARG 62 -14.508 -14.943 2.327 460 HH11 ARG 62 1HH1 ARG 62 -13.031 -17.644 0.589 461 HH12 ARG 62 2HH1 ARG 62 -14.383 -18.700 0.856 462 HH21 ARG 62 2HH2 ARG 62 -16.277 -16.307 2.638 463 HH22 ARG 62 1HH2 ARG 62 -16.232 -17.933 2.027 464 H GLN 63 H GLN 63 -13.353 -10.535 -1.716 465 HA GLN 63 HA GLN 63 -15.424 -8.820 -0.705 466 HB2 GLN 63 2HB GLN 63 -13.570 -7.891 -1.989 467 HB3 GLN 63 1HB GLN 63 -13.950 -8.910 -3.368 468 HG2 GLN 63 2HG GLN 63 -14.634 -6.607 -3.783 469 HG3 GLN 63 1HG GLN 63 -16.046 -7.660 -3.728 470 HE21 GLN 63 1HE2 GLN 63 -14.309 -5.107 -2.111 471 HE22 GLN 63 2HE2 GLN 63 -15.569 -4.671 -1.017 472 H GLY 64 H GLY 64 -17.534 -8.752 -1.221 473 HA2 GLY 64 2HA GLY 64 -19.347 -8.890 -2.760 474 HA3 GLY 64 1HA GLY 64 -18.589 -10.277 -3.528 475 H GLY 65 H GLY 65 -18.005 -11.231 -0.601 476 HA2 GLY 65 2HA GLY 65 -19.838 -13.232 -0.372 477 HA3 GLY 65 1HA GLY 65 -18.955 -12.570 0.991 478 H LEU 66 H LEU 66 -21.893 -13.427 0.143 479 HA LEU 66 HA LEU 66 -23.395 -11.039 1.044 480 HB2 LEU 66 2HB LEU 66 -24.374 -13.588 -0.325 481 HB3 LEU 66 1HB LEU 66 -25.353 -12.175 0.036 482 HG LEU 66 HG LEU 66 -23.025 -12.222 -1.923 483 HD11 LEU 66 1HD1 LEU 66 -24.708 -12.065 -3.687 484 HD12 LEU 66 2HD1 LEU 66 -26.005 -12.186 -2.497 485 HD13 LEU 66 3HD1 LEU 66 -24.904 -13.544 -2.751 486 HD21 LEU 66 3HD2 LEU 66 -23.288 -10.003 -0.938 487 HD22 LEU 66 1HD2 LEU 66 -25.007 -9.993 -1.344 488 HD23 LEU 66 2HD2 LEU 66 -23.790 -9.990 -2.626 489 H GLU 67 H GLU 67 -21.965 -13.204 2.805 490 HA GLU 67 HA GLU 67 -24.034 -14.508 4.244 491 HB2 GLU 67 2HB GLU 67 -22.391 -15.115 5.923 492 HB3 GLU 67 1HB GLU 67 -21.741 -15.376 4.322 493 HG2 GLU 67 2HG GLU 67 -21.019 -13.111 6.194 494 HG3 GLU 67 1HG GLU 67 -20.052 -14.543 5.872 495 H HIS 68 H HIS 68 -25.590 -13.050 4.665 496 HA HIS 68 HA HIS 68 -26.929 -12.071 6.149 497 HB2 HIS 68 2HB HIS 68 -24.498 -11.920 7.979 498 HB3 HIS 68 1HB HIS 68 -26.118 -11.427 8.454 499 HD1 HIS 68 HD1 HIS 68 -27.831 -13.277 8.931 500 HD2 HIS 68 HD2 HIS 68 -24.098 -14.728 7.827 501 HE1 HIS 68 HE1 HIS 68 -27.888 -15.732 9.451 502 HE2 HIS 68 HE2 HIS 68 -25.581 -16.557 8.891 503 H HIS 69 H HIS 69 -23.939 -10.144 6.735 504 HA HIS 69 HA HIS 69 -25.200 -7.830 5.409 505 HB2 HIS 69 2HB HIS 69 -24.255 -7.863 8.311 506 HB3 HIS 69 1HB HIS 69 -24.585 -6.385 7.413 507 HD1 HIS 69 HD1 HIS 69 -27.040 -5.740 7.068 508 HD2 HIS 69 HD2 HIS 69 -26.572 -9.338 9.078 509 HE1 HIS 69 HE1 HIS 69 -29.324 -6.347 7.896 510 HE2 HIS 69 HE2 HIS 69 -29.046 -8.633 8.890 511 H HIS 70 H HIS 70 -23.717 -6.084 5.014 512 HA HIS 70 HA HIS 70 -20.862 -6.890 4.846 513 HB2 HIS 70 2HB HIS 70 -22.417 -4.834 3.188 514 HB3 HIS 70 1HB HIS 70 -20.698 -5.186 3.026 515 HD1 HIS 70 HD1 HIS 70 -24.018 -7.029 2.695 516 HD2 HIS 70 HD2 HIS 70 -20.174 -7.086 1.127 517 HE1 HIS 70 HE1 HIS 70 -24.055 -8.772 0.893 518 HE2 HIS 70 HE2 HIS 70 -21.718 -8.809 -0.023 519 H HIS 71 H HIS 71 -19.898 -6.084 6.652 520 HA HIS 71 HA HIS 71 -20.662 -3.555 7.848 521 HB2 HIS 71 2HB HIS 71 -19.950 -5.469 9.252 522 HB3 HIS 71 1HB HIS 71 -18.353 -5.440 8.518 523 HD1 HIS 71 HD1 HIS 71 -16.852 -4.700 10.381 524 HD2 HIS 71 HD2 HIS 71 -20.308 -2.408 10.206 525 HE1 HIS 71 HE1 HIS 71 -16.580 -2.940 12.149 526 HE2 HIS 71 HE2 HIS 71 -18.745 -1.663 12.115 527 H HIS 72 H HIS 72 -20.325 -2.361 5.867 528 HA HIS 72 HA HIS 72 -17.752 -0.980 5.890 529 HB2 HIS 72 2HB HIS 72 -18.923 -2.136 3.303 530 HB3 HIS 72 1HB HIS 72 -17.642 -0.927 3.358 531 HD1 HIS 72 HD1 HIS 72 -15.352 -1.776 4.557 532 HD2 HIS 72 HD2 HIS 72 -18.070 -4.702 3.439 533 HE1 HIS 72 HE1 HIS 72 -14.087 -3.942 4.661 534 HE2 HIS 72 HE2 HIS 72 -15.834 -5.696 4.228 535 H HIS 73 H HIS 73 -17.992 0.974 4.247 536 HA HIS 73 HA HIS 73 -20.673 2.158 4.371 537 HB2 HIS 73 2HB HIS 73 -19.700 4.249 5.464 538 HB3 HIS 73 1HB HIS 73 -19.819 2.838 6.513 539 HD1 HIS 73 HD1 HIS 73 -17.405 5.265 5.126 540 HD2 HIS 73 HD2 HIS 73 -17.248 1.633 7.136 541 HE1 HIS 73 HE1 HIS 73 -15.029 5.016 5.884 542 HE2 HIS 73 HE2 HIS 73 -14.923 2.737 6.930 Start of MODEL 7 1 H1 MET 1 1H MET 1 5.944 10.465 -0.203 2 H2 MET 1 2H MET 1 6.374 11.677 -1.286 3 H3 MET 1 3H MET 1 7.515 11.051 -0.210 4 HA MET 1 HA MET 1 7.952 10.183 -2.334 5 HB2 MET 1 2HB MET 1 7.838 7.763 -1.832 6 HB3 MET 1 1HB MET 1 8.325 8.692 -0.430 7 HG2 MET 1 2HG MET 1 5.985 8.472 0.459 8 HG3 MET 1 1HG MET 1 5.626 7.407 -0.900 9 HE1 MET 1 3HE MET 1 8.947 7.674 1.305 10 HE2 MET 1 1HE MET 1 8.648 6.369 2.452 11 HE3 MET 1 2HE MET 1 7.640 7.816 2.485 12 H LEU 2 H LEU 2 7.154 10.029 -4.317 13 HA LEU 2 HA LEU 2 4.299 9.846 -4.846 14 HB2 LEU 2 2HB LEU 2 5.899 11.488 -5.948 15 HB3 LEU 2 1HB LEU 2 6.627 10.146 -6.804 16 HG LEU 2 HG LEU 2 3.677 10.880 -7.133 17 HD11 LEU 2 1HD1 LEU 2 6.016 11.851 -8.815 18 HD12 LEU 2 2HD1 LEU 2 5.000 12.838 -7.758 19 HD13 LEU 2 3HD1 LEU 2 4.304 12.083 -9.186 20 HD21 LEU 2 3HD2 LEU 2 5.537 9.258 -8.903 21 HD22 LEU 2 1HD2 LEU 2 3.861 9.675 -9.274 22 HD23 LEU 2 2HD2 LEU 2 4.224 8.627 -7.906 23 H VAL 3 H VAL 3 3.517 7.841 -4.752 24 HA VAL 3 HA VAL 3 4.903 5.554 -6.067 25 HB VAL 3 HB VAL 3 3.676 4.061 -4.457 26 HG11 VAL 3 1HG1 VAL 3 5.998 4.703 -3.968 27 HG12 VAL 3 2HG1 VAL 3 5.076 4.508 -2.479 28 HG13 VAL 3 3HG1 VAL 3 5.440 6.128 -3.085 29 HG21 VAL 3 3HG2 VAL 3 1.793 5.568 -3.912 30 HG22 VAL 3 1HG2 VAL 3 2.889 6.649 -3.048 31 HG23 VAL 3 2HG2 VAL 3 2.597 5.013 -2.447 32 H THR 4 H THR 4 3.375 3.932 -7.004 33 HA THR 4 HA THR 4 1.016 5.208 -8.226 34 HB THR 4 HB THR 4 2.383 2.540 -8.851 35 HG1 THR 4 HG1 THR 4 3.511 3.644 -10.295 36 HG21 THR 4 3HG2 THR 4 1.036 2.569 -10.931 37 HG22 THR 4 1HG2 THR 4 0.204 4.019 -10.380 38 HG23 THR 4 2HG2 THR 4 -0.005 2.498 -9.507 39 H ILE 5 H ILE 5 -0.698 5.100 -6.839 40 HA ILE 5 HA ILE 5 -1.223 2.587 -5.366 41 HB ILE 5 HB ILE 5 -2.383 5.378 -4.900 42 HG12 ILE 5 2HG1 ILE 5 -0.391 3.724 -3.274 43 HG13 ILE 5 1HG1 ILE 5 0.004 5.137 -4.246 44 HG21 ILE 5 1HG2 ILE 5 -4.038 3.618 -4.328 45 HG22 ILE 5 2HG2 ILE 5 -3.441 4.422 -2.879 46 HG23 ILE 5 3HG2 ILE 5 -2.845 2.817 -3.302 47 HD11 ILE 5 3HD1 ILE 5 -0.053 5.718 -1.928 48 HD12 ILE 5 1HD1 ILE 5 -1.696 5.100 -1.761 49 HD13 ILE 5 2HD1 ILE 5 -1.382 6.519 -2.762 50 H ASN 6 H ASN 6 -2.379 1.249 -6.574 51 HA ASN 6 HA ASN 6 -4.106 0.243 -7.610 52 HB2 ASN 6 2HB ASN 6 -5.581 2.793 -6.827 53 HB3 ASN 6 1HB ASN 6 -6.370 1.457 -7.662 54 HD21 ASN 6 1HD2 ASN 6 -6.672 -0.497 -6.588 55 HD22 ASN 6 2HD2 ASN 6 -6.575 -0.602 -4.870 56 H GLY 7 H GLY 7 -2.195 2.025 -9.063 57 HA2 GLY 7 2HA GLY 7 -1.847 2.213 -11.380 58 HA3 GLY 7 1HA GLY 7 -3.575 2.051 -11.663 59 H GLU 8 H GLU 8 -3.092 4.216 -9.191 60 HA GLU 8 HA GLU 8 -3.001 6.593 -10.962 61 HB2 GLU 8 2HB GLU 8 -4.494 6.243 -8.306 62 HB3 GLU 8 1HB GLU 8 -4.435 7.722 -9.260 63 HG2 GLU 8 2HG GLU 8 -5.672 6.629 -11.079 64 HG3 GLU 8 1HG GLU 8 -5.691 5.116 -10.171 65 H GLN 9 H GLN 9 -0.971 7.463 -10.706 66 HA GLN 9 HA GLN 9 0.728 7.097 -8.501 67 HB2 GLN 9 2HB GLN 9 0.720 9.295 -10.611 68 HB3 GLN 9 1HB GLN 9 1.990 9.124 -9.403 69 HG2 GLN 9 2HG GLN 9 2.433 6.818 -10.297 70 HG3 GLN 9 1HG GLN 9 1.278 7.150 -11.586 71 HE21 GLN 9 1HE2 GLN 9 2.075 9.939 -11.955 72 HE22 GLN 9 2HE2 GLN 9 3.628 9.909 -12.703 73 H ARG 10 H ARG 10 0.359 7.732 -6.526 74 HA ARG 10 HA ARG 10 -0.880 10.341 -5.897 75 HB2 ARG 10 2HB ARG 10 -2.427 8.504 -5.298 76 HB3 ARG 10 1HB ARG 10 -1.154 7.660 -4.427 77 HG2 ARG 10 2HG ARG 10 -2.527 8.650 -2.771 78 HG3 ARG 10 1HG ARG 10 -1.084 9.657 -2.827 79 HD2 ARG 10 2HD ARG 10 -3.740 10.305 -4.149 80 HD3 ARG 10 1HD ARG 10 -3.189 10.950 -2.609 81 HE ARG 10 HE ARG 10 -2.095 11.601 -5.271 82 HH11 ARG 10 1HH1 ARG 10 -2.396 12.423 -1.853 83 HH12 ARG 10 2HH1 ARG 10 -1.663 13.985 -2.049 84 HH21 ARG 10 1HH2 ARG 10 -1.175 13.645 -5.513 85 HH22 ARG 10 2HH2 ARG 10 -0.977 14.668 -4.127 86 H GLU 11 H GLU 11 0.424 11.653 -4.714 87 HA GLU 11 HA GLU 11 2.912 10.732 -3.539 88 HB2 GLU 11 2HB GLU 11 2.867 12.989 -4.509 89 HB3 GLU 11 1HB GLU 11 1.522 13.455 -3.464 90 HG2 GLU 11 2HG GLU 11 2.975 13.158 -1.471 91 HG3 GLU 11 1HG GLU 11 4.316 12.710 -2.519 92 H VAL 12 H VAL 12 3.032 9.892 -1.583 93 HA VAL 12 HA VAL 12 1.187 10.711 0.597 94 HB VAL 12 HB VAL 12 1.229 8.372 1.468 95 HG11 VAL 12 1HG1 VAL 12 0.098 8.566 -1.352 96 HG12 VAL 12 2HG1 VAL 12 -0.707 9.069 0.137 97 HG13 VAL 12 3HG1 VAL 12 -0.358 7.366 -0.140 98 HG21 VAL 12 3HG2 VAL 12 2.617 7.652 -1.146 99 HG22 VAL 12 1HG2 VAL 12 1.983 6.488 0.025 100 HG23 VAL 12 2HG2 VAL 12 3.310 7.558 0.475 101 H GLN 13 H GLN 13 2.181 10.237 2.757 102 HA GLN 13 HA GLN 13 5.138 10.554 2.693 103 HB2 GLN 13 2HB GLN 13 3.118 11.792 4.627 104 HB3 GLN 13 1HB GLN 13 4.861 11.853 4.850 105 HG2 GLN 13 2HG GLN 13 3.325 13.089 2.547 106 HG3 GLN 13 1HG GLN 13 4.026 13.951 3.914 107 HE21 GLN 13 1HE2 GLN 13 6.329 14.120 4.045 108 HE22 GLN 13 2HE2 GLN 13 7.319 13.922 2.643 109 H SER 14 H SER 14 2.751 8.381 3.511 110 HA SER 14 HA SER 14 3.764 7.330 5.959 111 HB2 SER 14 2HB SER 14 2.084 6.014 3.790 112 HB3 SER 14 1HB SER 14 2.344 5.363 5.413 113 HG SER 14 HG SER 14 1.364 7.303 6.217 114 H ALA 15 H ALA 15 5.688 6.429 6.190 115 HA ALA 15 HA ALA 15 7.077 4.992 4.034 116 HB1 ALA 15 3HB ALA 15 8.011 5.771 6.824 117 HB2 ALA 15 1HB ALA 15 8.337 6.665 5.338 118 HB3 ALA 15 2HB ALA 15 9.014 5.055 5.562 119 H SER 16 H SER 16 4.671 4.088 5.906 120 HA SER 16 HA SER 16 5.526 1.280 5.971 121 HB2 SER 16 2HB SER 16 4.324 0.986 8.193 122 HB3 SER 16 1HB SER 16 5.796 1.955 8.301 123 HG SER 16 HG SER 16 3.865 2.816 9.386 124 H VAL 17 H VAL 17 3.871 -0.137 5.478 125 HA VAL 17 HA VAL 17 1.916 0.914 3.713 126 HB VAL 17 HB VAL 17 2.296 -1.960 4.685 127 HG11 VAL 17 1HG1 VAL 17 1.028 -2.648 2.665 128 HG12 VAL 17 2HG1 VAL 17 0.676 -0.956 2.312 129 HG13 VAL 17 3HG1 VAL 17 0.032 -1.704 3.774 130 HG21 VAL 17 3HG2 VAL 17 3.503 -2.311 2.554 131 HG22 VAL 17 1HG2 VAL 17 4.284 -1.065 3.531 132 HG23 VAL 17 2HG2 VAL 17 3.290 -0.606 2.147 133 H ALA 18 H ALA 18 1.698 -0.252 7.061 134 HA ALA 18 HA ALA 18 -1.145 -0.445 7.224 135 HB1 ALA 18 3HB ALA 18 0.316 -1.492 8.904 136 HB2 ALA 18 1HB ALA 18 -0.853 -0.408 9.659 137 HB3 ALA 18 2HB ALA 18 0.826 0.098 9.470 138 H ALA 19 H ALA 19 1.152 2.170 8.043 139 HA ALA 19 HA ALA 19 -0.702 4.132 8.823 140 HB1 ALA 19 3HB ALA 19 1.097 5.751 8.399 141 HB2 ALA 19 1HB ALA 19 2.009 4.524 7.507 142 HB3 ALA 19 2HB ALA 19 1.716 4.328 9.234 143 H LEU 20 H LEU 20 0.563 3.225 5.658 144 HA LEU 20 HA LEU 20 -0.502 5.295 4.084 145 HB2 LEU 20 2HB LEU 20 1.255 3.804 3.290 146 HB3 LEU 20 1HB LEU 20 0.192 2.412 3.428 147 HG LEU 20 HG LEU 20 -1.214 3.290 1.571 148 HD11 LEU 20 1HD1 LEU 20 -0.472 5.187 0.225 149 HD12 LEU 20 2HD1 LEU 20 0.826 5.519 1.375 150 HD13 LEU 20 3HD1 LEU 20 -0.862 5.682 1.869 151 HD21 LEU 20 3HD2 LEU 20 0.367 2.884 -0.240 152 HD22 LEU 20 1HD2 LEU 20 0.613 1.742 1.080 153 HD23 LEU 20 2HD2 LEU 20 1.725 3.098 0.868 154 H MET 21 H MET 21 -1.766 2.040 4.774 155 HA MET 21 HA MET 21 -4.221 2.447 3.355 156 HB2 MET 21 2HB MET 21 -3.423 0.231 5.299 157 HB3 MET 21 1HB MET 21 -4.847 0.215 4.260 158 HG2 MET 21 2HG MET 21 -3.325 0.359 2.259 159 HG3 MET 21 1HG MET 21 -1.953 0.221 3.351 160 HE1 MET 21 3HE MET 21 -4.603 -1.602 1.283 161 HE2 MET 21 1HE MET 21 -5.454 -1.687 2.828 162 HE3 MET 21 2HE MET 21 -4.800 -3.152 2.099 163 H THR 22 H THR 22 -3.153 3.201 6.595 164 HA THR 22 HA THR 22 -5.735 3.729 7.700 165 HB THR 22 HB THR 22 -3.096 5.113 8.382 166 HG1 THR 22 HG1 THR 22 -2.626 3.267 9.276 167 HG21 THR 22 3HG2 THR 22 -4.149 5.586 10.572 168 HG22 THR 22 1HG2 THR 22 -5.654 4.858 10.011 169 HG23 THR 22 2HG2 THR 22 -5.064 6.343 9.266 170 H GLU 23 H GLU 23 -3.399 5.708 5.873 171 HA GLU 23 HA GLU 23 -4.832 8.143 5.967 172 HB2 GLU 23 2HB GLU 23 -2.723 7.169 3.996 173 HB3 GLU 23 1HB GLU 23 -3.294 8.830 4.099 174 HG2 GLU 23 2HG GLU 23 -1.763 7.298 6.212 175 HG3 GLU 23 1HG GLU 23 -1.181 8.648 5.249 176 H LEU 24 H LEU 24 -5.031 5.395 3.824 177 HA LEU 24 HA LEU 24 -6.823 6.781 1.936 178 HB2 LEU 24 2HB LEU 24 -5.548 4.016 1.779 179 HB3 LEU 24 1HB LEU 24 -6.443 4.814 0.494 180 HG LEU 24 HG LEU 24 -3.799 5.820 1.624 181 HD11 LEU 24 1HD1 LEU 24 -4.320 4.308 -0.949 182 HD12 LEU 24 2HD1 LEU 24 -3.480 3.698 0.480 183 HD13 LEU 24 3HD1 LEU 24 -2.782 5.018 -0.449 184 HD21 LEU 24 3HD2 LEU 24 -3.755 7.314 -0.331 185 HD22 LEU 24 1HD2 LEU 24 -5.150 7.638 0.697 186 HD23 LEU 24 2HD2 LEU 24 -5.356 6.747 -0.813 187 H ASP 25 H ASP 25 -7.148 5.129 4.770 188 HA ASP 25 HA ASP 25 -8.763 4.075 5.928 189 HB2 ASP 25 2HB ASP 25 -10.099 6.048 4.990 190 HB3 ASP 25 1HB ASP 25 -10.697 4.967 3.743 191 H CYS 26 H CYS 26 -7.293 2.641 3.861 192 HA CYS 26 HA CYS 26 -9.049 0.482 2.926 193 HB2 CYS 26 2HB CYS 26 -6.050 0.846 2.558 194 HB3 CYS 26 1HB CYS 26 -7.102 -0.262 1.677 195 HG CYS 26 HG CYS 26 -8.307 2.741 1.310 196 H THR 27 H THR 27 -8.039 1.149 5.789 197 HA THR 27 HA THR 27 -7.072 -1.536 6.579 198 HB THR 27 HB THR 27 -5.555 0.350 7.215 199 HG1 THR 27 HG1 THR 27 -6.182 -0.157 9.728 200 HG21 THR 27 3HG2 THR 27 -7.264 2.130 7.454 201 HG22 THR 27 1HG2 THR 27 -6.242 2.000 8.892 202 HG23 THR 27 2HG2 THR 27 -7.875 1.337 8.907 203 H ASP 28 H ASP 28 -9.759 0.452 6.401 204 HA ASP 28 HA ASP 28 -11.079 0.055 8.885 205 HB2 ASP 28 2HB ASP 28 -11.635 1.934 7.378 206 HB3 ASP 28 1HB ASP 28 -12.156 0.810 6.124 207 H GLY 29 H GLY 29 -11.927 -1.206 5.651 208 HA2 GLY 29 2HA GLY 29 -13.308 -3.511 6.837 209 HA3 GLY 29 1HA GLY 29 -13.367 -2.979 5.158 210 H HIS 30 H HIS 30 -13.000 -5.174 4.574 211 HA HIS 30 HA HIS 30 -10.411 -6.371 5.252 212 HB2 HIS 30 2HB HIS 30 -12.897 -7.478 3.886 213 HB3 HIS 30 1HB HIS 30 -11.367 -8.353 3.911 214 HD1 HIS 30 HD1 HIS 30 -11.469 -10.108 5.627 215 HD2 HIS 30 HD2 HIS 30 -13.398 -6.655 6.894 216 HE1 HIS 30 HE1 HIS 30 -12.251 -10.588 7.960 217 HE2 HIS 30 HE2 HIS 30 -13.322 -8.457 8.735 218 H TYR 31 H TYR 31 -8.885 -5.341 4.115 219 HA TYR 31 HA TYR 31 -9.064 -5.377 1.155 220 HB2 TYR 31 2HB TYR 31 -7.746 -3.277 2.933 221 HB3 TYR 31 1HB TYR 31 -7.526 -3.366 1.190 222 HD1 TYR 31 HD2 TYR 31 -10.014 -2.662 3.874 223 HD2 TYR 31 HD1 TYR 31 -9.217 -2.524 -0.323 224 HE1 TYR 31 HE2 TYR 31 -12.010 -1.257 3.544 225 HE2 TYR 31 HE1 TYR 31 -11.208 -1.122 -0.651 226 HH TYR 31 HH TYR 31 -12.872 0.374 1.915 227 H ALA 32 H ALA 32 -7.257 -5.941 0.055 228 HA ALA 32 HA ALA 32 -4.895 -6.923 1.557 229 HB1 ALA 32 3HB ALA 32 -6.062 -7.963 -1.066 230 HB2 ALA 32 1HB ALA 32 -6.116 -8.786 0.496 231 HB3 ALA 32 2HB ALA 32 -4.569 -8.525 -0.309 232 H VAL 33 H VAL 33 -3.004 -6.007 0.942 233 HA VAL 33 HA VAL 33 -3.043 -4.069 -1.312 234 HB VAL 33 HB VAL 33 -2.480 -3.119 0.920 235 HG11 VAL 33 1HG1 VAL 33 -0.404 -3.667 2.081 236 HG12 VAL 33 2HG1 VAL 33 -0.033 -4.906 0.884 237 HG13 VAL 33 3HG1 VAL 33 -1.430 -5.094 1.947 238 HG21 VAL 33 3HG2 VAL 33 -0.148 -3.083 -1.028 239 HG22 VAL 33 1HG2 VAL 33 -0.427 -1.901 0.257 240 HG23 VAL 33 2HG2 VAL 33 -1.569 -2.039 -1.081 241 H ALA 34 H ALA 34 -1.671 -4.365 -2.965 242 HA ALA 34 HA ALA 34 0.263 -6.611 -2.883 243 HB1 ALA 34 3HB ALA 34 0.005 -6.716 -5.334 244 HB2 ALA 34 1HB ALA 34 -1.165 -5.391 -5.291 245 HB3 ALA 34 2HB ALA 34 -1.547 -6.937 -4.532 246 H LEU 35 H LEU 35 2.090 -5.611 -2.224 247 HA LEU 35 HA LEU 35 2.851 -2.961 -3.216 248 HB2 LEU 35 2HB LEU 35 3.261 -3.526 -0.831 249 HB3 LEU 35 1HB LEU 35 4.272 -4.880 -1.312 250 HG LEU 35 HG LEU 35 5.801 -3.113 -2.465 251 HD11 LEU 35 1HD1 LEU 35 5.705 -0.831 -1.583 252 HD12 LEU 35 2HD1 LEU 35 4.218 -1.220 -0.713 253 HD13 LEU 35 3HD1 LEU 35 4.243 -1.245 -2.477 254 HD21 LEU 35 3HD2 LEU 35 5.603 -3.049 0.554 255 HD22 LEU 35 1HD2 LEU 35 7.022 -2.649 -0.420 256 HD23 LEU 35 2HD2 LEU 35 6.406 -4.299 -0.400 257 H ASN 36 H ASN 36 3.711 -2.900 -5.178 258 HA ASN 36 HA ASN 36 4.663 -3.444 -7.151 259 HB2 ASN 36 2HB ASN 36 6.593 -5.038 -5.394 260 HB3 ASN 36 1HB ASN 36 6.872 -4.622 -7.085 261 HD21 ASN 36 1HD2 ASN 36 8.423 -3.880 -4.698 262 HD22 ASN 36 2HD2 ASN 36 8.472 -2.151 -4.695 263 H TYR 37 H TYR 37 2.429 -4.838 -6.403 264 HA TYR 37 HA TYR 37 1.044 -6.464 -7.065 265 HB2 TYR 37 2HB TYR 37 3.287 -7.261 -8.962 266 HB3 TYR 37 1HB TYR 37 1.661 -7.937 -9.014 267 HD1 TYR 37 HD1 TYR 37 -0.307 -6.222 -9.252 268 HD2 TYR 37 HD2 TYR 37 3.753 -5.326 -10.268 269 HE1 TYR 37 HE1 TYR 37 -1.064 -4.360 -10.659 270 HE2 TYR 37 HE2 TYR 37 2.986 -3.463 -11.670 271 HH TYR 37 HH TYR 37 0.988 -2.774 -12.863 272 H ASP 38 H ASP 38 3.326 -6.989 -5.008 273 HA ASP 38 HA ASP 38 2.781 -9.892 -4.664 274 HB2 ASP 38 2HB ASP 38 5.195 -9.376 -4.778 275 HB3 ASP 38 1HB ASP 38 5.020 -8.146 -3.528 276 H VAL 39 H VAL 39 1.245 -10.294 -3.188 277 HA VAL 39 HA VAL 39 -0.017 -8.238 -1.720 278 HB VAL 39 HB VAL 39 -0.412 -11.254 -1.452 279 HG11 VAL 39 1HG1 VAL 39 -2.627 -10.687 -0.512 280 HG12 VAL 39 2HG1 VAL 39 -2.241 -8.968 -0.617 281 HG13 VAL 39 3HG1 VAL 39 -1.330 -10.011 0.478 282 HG21 VAL 39 3HG2 VAL 39 -2.296 -10.982 -3.012 283 HG22 VAL 39 1HG2 VAL 39 -0.787 -10.463 -3.770 284 HG23 VAL 39 2HG2 VAL 39 -1.936 -9.261 -3.177 285 H VAL 40 H VAL 40 0.382 -7.508 0.228 286 HA VAL 40 HA VAL 40 2.183 -8.897 2.104 287 HB VAL 40 HB VAL 40 1.260 -5.974 2.031 288 HG11 VAL 40 1HG1 VAL 40 2.979 -5.551 3.752 289 HG12 VAL 40 2HG1 VAL 40 3.345 -7.276 3.824 290 HG13 VAL 40 3HG1 VAL 40 1.758 -6.689 4.330 291 HG21 VAL 40 3HG2 VAL 40 3.953 -7.149 1.255 292 HG22 VAL 40 1HG2 VAL 40 3.552 -5.430 1.306 293 HG23 VAL 40 2HG2 VAL 40 2.747 -6.491 0.145 294 HA PRO 41 HA PRO 41 -1.689 -9.620 4.457 295 HB2 PRO 41 2HB PRO 41 -0.642 -11.017 6.553 296 HB3 PRO 41 1HB PRO 41 -0.764 -11.726 4.929 297 HG2 PRO 41 2HG PRO 41 1.624 -10.513 6.272 298 HG3 PRO 41 1HG PRO 41 1.518 -12.003 5.308 299 HD2 PRO 41 2HD PRO 41 2.426 -9.614 4.288 300 HD3 PRO 41 1HD PRO 41 1.653 -10.863 3.294 301 H ARG 42 H ARG 42 -2.555 -9.071 6.628 302 HA ARG 42 HA ARG 42 -2.179 -6.334 7.025 303 HB2 ARG 42 2HB ARG 42 -3.642 -8.221 8.902 304 HB3 ARG 42 1HB ARG 42 -3.822 -6.467 8.829 305 HG2 ARG 42 2HG ARG 42 -4.591 -6.780 6.403 306 HG3 ARG 42 1HG ARG 42 -4.683 -8.508 6.766 307 HD2 ARG 42 2HD ARG 42 -6.872 -7.486 7.043 308 HD3 ARG 42 1HD ARG 42 -6.268 -8.011 8.614 309 HE ARG 42 HE ARG 42 -5.618 -5.644 9.002 310 HH11 ARG 42 2HH1 ARG 42 -8.244 -6.316 6.735 311 HH12 ARG 42 1HH1 ARG 42 -8.971 -4.754 6.950 312 HH21 ARG 42 1HH2 ARG 42 -6.554 -3.617 9.226 313 HH22 ARG 42 2HH2 ARG 42 -8.006 -3.229 8.363 314 H GLY 43 H GLY 43 -1.091 -9.051 9.054 315 HA2 GLY 43 2HA GLY 43 -0.015 -7.592 11.213 316 HA3 GLY 43 1HA GLY 43 0.490 -9.195 10.706 317 H LYS 44 H LYS 44 1.241 -8.175 8.001 318 HA LYS 44 HA LYS 44 3.944 -7.344 8.717 319 HB2 LYS 44 2HB LYS 44 2.675 -8.668 6.332 320 HB3 LYS 44 1HB LYS 44 4.106 -7.698 6.025 321 HG2 LYS 44 2HG LYS 44 4.016 -9.960 8.046 322 HG3 LYS 44 1HG LYS 44 4.562 -10.131 6.375 323 HD2 LYS 44 2HD LYS 44 6.383 -8.549 6.746 324 HD3 LYS 44 1HD LYS 44 5.803 -8.198 8.378 325 HE2 LYS 44 2HE LYS 44 6.876 -10.881 7.425 326 HE3 LYS 44 1HE LYS 44 7.747 -9.705 8.411 327 HZ1 LYS 44 3HZ LYS 44 6.812 -11.463 9.765 328 HZ2 LYS 44 1HZ LYS 44 5.256 -11.110 9.202 329 HZ3 LYS 44 2HZ LYS 44 6.086 -9.982 10.146 330 H TRP 45 H TRP 45 1.049 -5.815 7.623 331 HA TRP 45 HA TRP 45 1.951 -3.885 5.804 332 HB2 TRP 45 2HB TRP 45 -0.233 -3.631 7.905 333 HB3 TRP 45 1HB TRP 45 0.080 -2.387 6.704 334 HD1 TRP 45 HD1 TRP 45 0.474 -5.390 4.756 335 HE1 TRP 45 HE1 TRP 45 -1.710 -6.080 3.599 336 HE3 TRP 45 HE3 TRP 45 -2.812 -2.494 7.386 337 HZ2 TRP 45 HZ2 TRP 45 -4.456 -5.464 3.738 338 HZ3 TRP 45 HZ3 TRP 45 -5.208 -2.594 6.810 339 HH2 TRP 45 HH2 TRP 45 -6.013 -4.052 5.021 340 H ASP 46 H ASP 46 1.968 -3.725 9.368 341 HA ASP 46 HA ASP 46 3.095 -1.125 9.658 342 HB2 ASP 46 2HB ASP 46 3.205 -3.505 11.580 343 HB3 ASP 46 1HB ASP 46 3.597 -1.847 12.010 344 H GLU 47 H GLU 47 4.476 -4.361 9.503 345 HA GLU 47 HA GLU 47 7.190 -3.650 10.071 346 HB2 GLU 47 2HB GLU 47 6.091 -6.227 8.848 347 HB3 GLU 47 1HB GLU 47 7.663 -6.016 9.619 348 HG2 GLU 47 2HG GLU 47 6.552 -5.605 11.792 349 HG3 GLU 47 1HG GLU 47 4.977 -5.796 11.017 350 H THR 48 H THR 48 5.307 -3.603 7.180 351 HA THR 48 HA THR 48 7.600 -3.951 5.375 352 HB THR 48 HB THR 48 4.628 -3.706 4.708 353 HG1 THR 48 HG1 THR 48 4.636 -5.748 5.239 354 HG21 THR 48 3HG2 THR 48 6.962 -4.527 2.931 355 HG22 THR 48 1HG2 THR 48 6.126 -2.972 2.850 356 HG23 THR 48 2HG2 THR 48 5.261 -4.458 2.461 357 HA PRO 49 HA PRO 49 7.705 0.615 5.300 358 HB2 PRO 49 2HB PRO 49 9.894 0.843 3.624 359 HB3 PRO 49 1HB PRO 49 10.031 0.486 5.357 360 HG2 PRO 49 2HG PRO 49 10.121 -1.416 3.038 361 HG3 PRO 49 1HG PRO 49 11.165 -1.347 4.477 362 HD2 PRO 49 2HD PRO 49 9.127 -3.119 4.288 363 HD3 PRO 49 1HD PRO 49 9.588 -2.386 5.841 364 H VAL 50 H VAL 50 7.564 2.279 3.612 365 HA VAL 50 HA VAL 50 6.750 1.346 0.911 366 HB VAL 50 HB VAL 50 5.751 3.863 2.361 367 HG11 VAL 50 1HG1 VAL 50 5.024 2.818 -0.405 368 HG12 VAL 50 2HG1 VAL 50 5.965 4.271 -0.054 369 HG13 VAL 50 3HG1 VAL 50 4.266 4.188 0.410 370 HG21 VAL 50 3HG2 VAL 50 4.683 1.842 3.254 371 HG22 VAL 50 1HG2 VAL 50 4.225 1.340 1.624 372 HG23 VAL 50 2HG2 VAL 50 3.525 2.800 2.332 373 H THR 51 H THR 51 7.903 2.195 -0.726 374 HA THR 51 HA THR 51 9.695 4.511 -0.295 375 HB THR 51 HB THR 51 11.330 3.421 -1.883 376 HG1 THR 51 HG1 THR 51 9.361 1.694 -2.207 377 HG21 THR 51 3HG2 THR 51 10.801 1.811 0.646 378 HG22 THR 51 1HG2 THR 51 11.756 3.301 0.550 379 HG23 THR 51 2HG2 THR 51 12.314 1.837 -0.257 380 H ALA 52 H ALA 52 10.140 5.686 -2.257 381 HA ALA 52 HA ALA 52 7.791 6.274 -3.686 382 HB1 ALA 52 3HB ALA 52 9.525 7.953 -3.203 383 HB2 ALA 52 1HB ALA 52 9.174 7.883 -4.933 384 HB3 ALA 52 2HB ALA 52 10.638 7.127 -4.297 385 H GLY 53 H GLY 53 7.013 5.618 -5.640 386 HA2 GLY 53 2HA GLY 53 7.235 5.007 -7.922 387 HA3 GLY 53 1HA GLY 53 8.752 4.201 -7.568 388 H ASP 54 H ASP 54 7.003 3.062 -5.098 389 HA ASP 54 HA ASP 54 6.701 0.483 -6.168 390 HB2 ASP 54 2HB ASP 54 5.462 1.702 -3.681 391 HB3 ASP 54 1HB ASP 54 5.338 -0.011 -4.069 392 H GLU 55 H GLU 55 5.088 -0.667 -7.105 393 HA GLU 55 HA GLU 55 2.580 0.595 -7.873 394 HB2 GLU 55 2HB GLU 55 3.456 -2.307 -8.305 395 HB3 GLU 55 1HB GLU 55 2.052 -1.527 -9.020 396 HG2 GLU 55 2HG GLU 55 3.670 -1.627 -10.733 397 HG3 GLU 55 1HG GLU 55 3.651 0.052 -10.195 398 H ILE 56 H ILE 56 1.719 0.971 -5.793 399 HA ILE 56 HA ILE 56 1.129 -1.276 -4.000 400 HB ILE 56 HB ILE 56 0.566 1.734 -3.735 401 HG12 ILE 56 2HG1 ILE 56 2.820 0.048 -2.556 402 HG13 ILE 56 1HG1 ILE 56 2.995 1.176 -3.890 403 HG21 ILE 56 1HG2 ILE 56 -0.947 0.368 -2.332 404 HG22 ILE 56 2HG2 ILE 56 0.190 1.285 -1.349 405 HG23 ILE 56 3HG2 ILE 56 0.448 -0.440 -1.610 406 HD11 ILE 56 3HD1 ILE 56 3.850 2.155 -1.912 407 HD12 ILE 56 1HD1 ILE 56 2.353 1.850 -1.036 408 HD13 ILE 56 2HD1 ILE 56 2.378 3.011 -2.365 409 H GLU 57 H GLU 57 -0.449 -2.441 -5.000 410 HA GLU 57 HA GLU 57 -2.821 -1.111 -6.157 411 HB2 GLU 57 2HB GLU 57 -1.206 -2.962 -7.325 412 HB3 GLU 57 1HB GLU 57 -2.268 -4.079 -6.485 413 HG2 GLU 57 2HG GLU 57 -2.978 -2.094 -8.647 414 HG3 GLU 57 1HG GLU 57 -3.084 -3.843 -8.697 415 H ILE 58 H ILE 58 -4.421 -0.935 -4.634 416 HA ILE 58 HA ILE 58 -4.471 -2.839 -2.372 417 HB ILE 58 HB ILE 58 -5.897 -0.154 -2.739 418 HG12 ILE 58 2HG1 ILE 58 -3.532 -0.945 -0.966 419 HG13 ILE 58 1HG1 ILE 58 -3.434 0.042 -2.419 420 HG21 ILE 58 1HG2 ILE 58 -6.574 -0.364 -0.368 421 HG22 ILE 58 2HG2 ILE 58 -5.871 -1.980 -0.306 422 HG23 ILE 58 3HG2 ILE 58 -7.263 -1.662 -1.344 423 HD11 ILE 58 3HD1 ILE 58 -4.783 1.772 -1.312 424 HD12 ILE 58 1HD1 ILE 58 -3.285 1.411 -0.459 425 HD13 ILE 58 2HD1 ILE 58 -4.813 0.790 0.158 426 H LEU 59 H LEU 59 -5.497 -4.594 -3.084 427 HA LEU 59 HA LEU 59 -7.941 -4.611 -4.625 428 HB2 LEU 59 2HB LEU 59 -6.252 -6.726 -3.222 429 HB3 LEU 59 1HB LEU 59 -7.754 -7.138 -4.039 430 HG LEU 59 HG LEU 59 -5.505 -5.717 -5.511 431 HD11 LEU 59 1HD1 LEU 59 -4.573 -7.797 -4.593 432 HD12 LEU 59 2HD1 LEU 59 -4.709 -7.843 -6.347 433 HD13 LEU 59 3HD1 LEU 59 -5.876 -8.721 -5.349 434 HD21 LEU 59 3HD2 LEU 59 -7.689 -5.632 -6.578 435 HD22 LEU 59 1HD2 LEU 59 -7.851 -7.388 -6.461 436 HD23 LEU 59 2HD2 LEU 59 -6.606 -6.674 -7.494 437 H THR 60 H THR 60 -9.969 -5.278 -3.889 438 HA THR 60 HA THR 60 -10.442 -5.466 -0.967 439 HB THR 60 HB THR 60 -12.447 -4.906 -3.209 440 HG1 THR 60 HG1 THR 60 -10.682 -3.267 -2.179 441 HG21 THR 60 3HG2 THR 60 -13.996 -4.277 -1.384 442 HG22 THR 60 1HG2 THR 60 -12.782 -4.718 -0.185 443 HG23 THR 60 2HG2 THR 60 -13.492 -5.960 -1.219 444 HA PRO 61 HA PRO 61 -10.462 -9.772 -2.683 445 HB2 PRO 61 2HB PRO 61 -9.882 -11.069 -0.307 446 HB3 PRO 61 1HB PRO 61 -8.646 -10.283 -1.311 447 HG2 PRO 61 2HG PRO 61 -9.999 -9.248 1.154 448 HG3 PRO 61 1HG PRO 61 -8.284 -9.155 0.686 449 HD2 PRO 61 2HD PRO 61 -9.992 -7.060 0.379 450 HD3 PRO 61 1HD PRO 61 -8.624 -7.341 -0.719 451 H ARG 62 H ARG 62 -12.153 -11.123 -2.896 452 HA ARG 62 HA ARG 62 -14.627 -10.660 -1.520 453 HB2 ARG 62 2HB ARG 62 -13.808 -12.722 -3.615 454 HB3 ARG 62 1HB ARG 62 -15.403 -12.722 -2.870 455 HG2 ARG 62 2HG ARG 62 -15.616 -11.611 -4.975 456 HG3 ARG 62 1HG ARG 62 -15.742 -10.375 -3.726 457 HD2 ARG 62 2HD ARG 62 -13.360 -9.756 -4.145 458 HD3 ARG 62 1HD ARG 62 -13.295 -10.965 -5.431 459 HE ARG 62 HE ARG 62 -15.398 -9.014 -5.755 460 HH11 ARG 62 1HH1 ARG 62 -11.988 -9.663 -6.404 461 HH12 ARG 62 2HH1 ARG 62 -11.911 -8.549 -7.733 462 HH21 ARG 62 2HH2 ARG 62 -15.261 -7.528 -7.468 463 HH22 ARG 62 1HH2 ARG 62 -13.770 -7.340 -8.326 464 H GLN 63 H GLN 63 -15.142 -11.493 0.373 465 HA GLN 63 HA GLN 63 -13.623 -13.429 1.784 466 HB2 GLN 63 2HB GLN 63 -16.456 -12.424 2.371 467 HB3 GLN 63 1HB GLN 63 -15.375 -13.209 3.523 468 HG2 GLN 63 2HG GLN 63 -14.888 -10.523 2.189 469 HG3 GLN 63 1HG GLN 63 -15.443 -10.762 3.843 470 HE21 GLN 63 1HE2 GLN 63 -13.768 -12.794 4.692 471 HE22 GLN 63 2HE2 GLN 63 -12.138 -12.241 4.696 472 H GLY 64 H GLY 64 -13.519 -15.484 1.039 473 HA2 GLY 64 2HA GLY 64 -15.555 -17.342 1.014 474 HA3 GLY 64 1HA GLY 64 -15.496 -16.696 -0.621 475 H GLY 65 H GLY 65 -14.365 -19.115 1.306 476 HA2 GLY 65 2HA GLY 65 -13.185 -20.984 0.566 477 HA3 GLY 65 1HA GLY 65 -12.610 -20.079 -0.825 478 H LEU 66 H LEU 66 -11.058 -18.224 -0.206 479 HA LEU 66 HA LEU 66 -8.753 -19.188 1.112 480 HB2 LEU 66 2HB LEU 66 -9.541 -16.337 0.338 481 HB3 LEU 66 1HB LEU 66 -7.972 -16.763 0.995 482 HG LEU 66 HG LEU 66 -7.644 -18.283 -1.046 483 HD11 LEU 66 1HD1 LEU 66 -10.025 -16.763 -2.137 484 HD12 LEU 66 2HD1 LEU 66 -9.964 -18.490 -1.774 485 HD13 LEU 66 3HD1 LEU 66 -8.958 -17.829 -3.061 486 HD21 LEU 66 3HD2 LEU 66 -7.907 -15.302 -1.541 487 HD22 LEU 66 1HD2 LEU 66 -6.951 -16.433 -2.507 488 HD23 LEU 66 2HD2 LEU 66 -6.516 -16.124 -0.828 489 H GLU 67 H GLU 67 -10.884 -16.473 2.037 490 HA GLU 67 HA GLU 67 -10.089 -16.602 4.830 491 HB2 GLU 67 2HB GLU 67 -12.038 -14.760 3.379 492 HB3 GLU 67 1HB GLU 67 -11.484 -14.553 5.036 493 HG2 GLU 67 2HG GLU 67 -9.836 -14.318 2.507 494 HG3 GLU 67 1HG GLU 67 -10.250 -13.033 3.642 495 H HIS 68 H HIS 68 -11.646 -18.889 3.763 496 HA HIS 68 HA HIS 68 -14.271 -18.801 4.939 497 HB2 HIS 68 2HB HIS 68 -13.700 -20.381 3.077 498 HB3 HIS 68 1HB HIS 68 -12.580 -21.225 4.142 499 HD1 HIS 68 HD1 HIS 68 -16.147 -21.021 3.204 500 HD2 HIS 68 HD2 HIS 68 -13.914 -22.783 6.230 501 HE1 HIS 68 HE1 HIS 68 -17.650 -22.731 4.249 502 HE2 HIS 68 HE2 HIS 68 -16.276 -23.760 6.061 503 H HIS 69 H HIS 69 -14.060 -18.154 7.063 504 HA HIS 69 HA HIS 69 -12.422 -19.722 8.946 505 HB2 HIS 69 2HB HIS 69 -14.222 -17.362 9.655 506 HB3 HIS 69 1HB HIS 69 -12.862 -18.001 10.570 507 HD1 HIS 69 HD1 HIS 69 -10.462 -17.735 9.034 508 HD2 HIS 69 HD2 HIS 69 -13.596 -15.098 8.413 509 HE1 HIS 69 HE1 HIS 69 -9.457 -15.744 7.883 510 HE2 HIS 69 HE2 HIS 69 -11.327 -14.070 7.805 511 H HIS 70 H HIS 70 -13.396 -21.593 9.508 512 HA HIS 70 HA HIS 70 -16.089 -22.284 9.650 513 HB2 HIS 70 2HB HIS 70 -14.203 -23.899 9.780 514 HB3 HIS 70 1HB HIS 70 -13.767 -23.282 11.367 515 HD1 HIS 70 HD1 HIS 70 -14.061 -25.535 12.505 516 HD2 HIS 70 HD2 HIS 70 -17.502 -24.263 10.559 517 HE1 HIS 70 HE1 HIS 70 -15.865 -27.122 13.230 518 HE2 HIS 70 HE2 HIS 70 -17.945 -26.268 12.106 519 H HIS 71 H HIS 71 -13.977 -20.829 12.077 520 HA HIS 71 HA HIS 71 -16.302 -19.974 13.684 521 HB2 HIS 71 2HB HIS 71 -13.308 -19.873 14.290 522 HB3 HIS 71 1HB HIS 71 -14.573 -19.262 15.358 523 HD1 HIS 71 HD1 HIS 71 -16.003 -21.014 16.629 524 HD2 HIS 71 HD2 HIS 71 -13.065 -22.696 14.223 525 HE1 HIS 71 HE1 HIS 71 -15.912 -23.435 17.263 526 HE2 HIS 71 HE2 HIS 71 -14.026 -24.387 15.918 527 H HIS 72 H HIS 72 -16.975 -18.578 11.995 528 HA HIS 72 HA HIS 72 -15.326 -16.315 11.215 529 HB2 HIS 72 2HB HIS 72 -17.385 -15.616 9.901 530 HB3 HIS 72 1HB HIS 72 -16.708 -17.178 9.474 531 HD1 HIS 72 HD1 HIS 72 -19.700 -15.613 11.099 532 HD2 HIS 72 HD2 HIS 72 -18.422 -19.364 9.861 533 HE1 HIS 72 HE1 HIS 72 -21.720 -17.088 11.251 534 HE2 HIS 72 HE2 HIS 72 -20.960 -19.289 10.301 535 H HIS 73 H HIS 73 -14.920 -15.331 13.155 536 HA HIS 73 HA HIS 73 -16.910 -13.434 14.071 537 HB2 HIS 73 2HB HIS 73 -17.404 -15.311 15.580 538 HB3 HIS 73 1HB HIS 73 -15.704 -15.472 16.005 539 HD1 HIS 73 HD1 HIS 73 -14.774 -13.894 17.784 540 HD2 HIS 73 HD2 HIS 73 -18.700 -13.008 16.737 541 HE1 HIS 73 HE1 HIS 73 -15.543 -12.172 19.441 542 HE2 HIS 73 HE2 HIS 73 -17.944 -11.725 18.845 Start of MODEL 8 1 H1 MET 1 1H MET 1 5.808 11.461 -0.251 2 H2 MET 1 2H MET 1 7.137 10.798 0.545 3 H3 MET 1 3H MET 1 5.770 9.853 0.245 4 HA MET 1 HA MET 1 7.587 10.998 -1.785 5 HB2 MET 1 2HB MET 1 8.325 8.712 -2.202 6 HB3 MET 1 1HB MET 1 8.537 9.075 -0.496 7 HG2 MET 1 2HG MET 1 6.221 7.478 -1.633 8 HG3 MET 1 1HG MET 1 7.673 6.780 -0.918 9 HE1 MET 1 3HE MET 1 8.279 8.594 1.578 10 HE2 MET 1 1HE MET 1 8.262 6.829 1.597 11 HE3 MET 1 2HE MET 1 7.372 7.733 2.824 12 H LEU 2 H LEU 2 7.136 10.204 -3.967 13 HA LEU 2 HA LEU 2 4.299 9.876 -4.584 14 HB2 LEU 2 2HB LEU 2 5.709 11.464 -5.899 15 HB3 LEU 2 1HB LEU 2 6.733 10.133 -6.411 16 HG LEU 2 HG LEU 2 4.819 9.132 -7.652 17 HD11 LEU 2 1HD1 LEU 2 3.273 11.579 -6.757 18 HD12 LEU 2 2HD1 LEU 2 2.960 9.903 -6.302 19 HD13 LEU 2 3HD1 LEU 2 2.736 10.415 -7.969 20 HD21 LEU 2 3HD2 LEU 2 5.322 12.033 -8.384 21 HD22 LEU 2 1HD2 LEU 2 4.689 10.783 -9.461 22 HD23 LEU 2 2HD2 LEU 2 6.331 10.656 -8.835 23 H VAL 3 H VAL 3 3.439 7.931 -5.049 24 HA VAL 3 HA VAL 3 5.065 5.597 -5.836 25 HB VAL 3 HB VAL 3 3.718 4.141 -4.199 26 HG11 VAL 3 1HG1 VAL 3 5.180 4.561 -2.272 27 HG12 VAL 3 2HG1 VAL 3 5.626 6.137 -2.934 28 HG13 VAL 3 3HG1 VAL 3 6.082 4.659 -3.784 29 HG21 VAL 3 3HG2 VAL 3 1.933 5.762 -3.669 30 HG22 VAL 3 1HG2 VAL 3 3.105 6.813 -2.869 31 HG23 VAL 3 2HG2 VAL 3 2.741 5.218 -2.199 32 H THR 4 H THR 4 3.715 3.853 -6.737 33 HA THR 4 HA THR 4 1.444 4.955 -8.234 34 HB THR 4 HB THR 4 2.864 2.269 -8.600 35 HG1 THR 4 HG1 THR 4 3.843 4.680 -9.026 36 HG21 THR 4 3HG2 THR 4 1.908 2.352 -10.875 37 HG22 THR 4 1HG2 THR 4 1.118 3.883 -10.503 38 HG23 THR 4 2HG2 THR 4 0.621 2.408 -9.665 39 H ILE 5 H ILE 5 -0.384 4.854 -6.936 40 HA ILE 5 HA ILE 5 -0.946 2.340 -5.471 41 HB ILE 5 HB ILE 5 -1.991 5.143 -4.904 42 HG12 ILE 5 2HG1 ILE 5 -0.128 3.313 -3.326 43 HG13 ILE 5 1HG1 ILE 5 0.340 4.787 -4.165 44 HG21 ILE 5 1HG2 ILE 5 -3.765 3.484 -4.449 45 HG22 ILE 5 2HG2 ILE 5 -3.153 4.167 -2.944 46 HG23 ILE 5 3HG2 ILE 5 -2.652 2.551 -3.445 47 HD11 ILE 5 3HD1 ILE 5 0.223 5.181 -1.809 48 HD12 ILE 5 1HD1 ILE 5 -1.436 4.588 -1.734 49 HD13 ILE 5 2HD1 ILE 5 -1.067 6.081 -2.604 50 H ASN 6 H ASN 6 -2.473 1.078 -6.303 51 HA ASN 6 HA ASN 6 -4.172 0.228 -7.542 52 HB2 ASN 6 2HB ASN 6 -5.271 3.058 -7.254 53 HB3 ASN 6 1HB ASN 6 -6.178 1.746 -8.001 54 HD21 ASN 6 1HD2 ASN 6 -7.057 0.167 -6.710 55 HD22 ASN 6 2HD2 ASN 6 -7.132 0.293 -4.991 56 H GLY 7 H GLY 7 -1.806 1.594 -8.859 57 HA2 GLY 7 2HA GLY 7 -1.120 1.518 -11.087 58 HA3 GLY 7 1HA GLY 7 -2.792 1.477 -11.617 59 H GLU 8 H GLU 8 -2.554 4.003 -9.423 60 HA GLU 8 HA GLU 8 -1.947 6.003 -11.546 61 HB2 GLU 8 2HB GLU 8 -3.490 7.548 -10.479 62 HB3 GLU 8 1HB GLU 8 -4.336 6.053 -10.846 63 HG2 GLU 8 2HG GLU 8 -4.258 5.376 -8.530 64 HG3 GLU 8 1HG GLU 8 -3.249 6.756 -8.111 65 H GLN 9 H GLN 9 -1.043 8.062 -10.723 66 HA GLN 9 HA GLN 9 1.090 7.562 -8.824 67 HB2 GLN 9 2HB GLN 9 0.402 10.049 -10.459 68 HB3 GLN 9 1HB GLN 9 1.784 9.934 -9.382 69 HG2 GLN 9 2HG GLN 9 2.576 9.608 -11.612 70 HG3 GLN 9 1HG GLN 9 2.664 8.056 -10.783 71 HE21 GLN 9 1HE2 GLN 9 -0.323 9.434 -12.096 72 HE22 GLN 9 2HE2 GLN 9 -0.503 8.273 -13.359 73 H ARG 10 H ARG 10 0.792 7.881 -6.737 74 HA ARG 10 HA ARG 10 -0.974 10.001 -5.683 75 HB2 ARG 10 2HB ARG 10 -0.654 7.129 -4.705 76 HB3 ARG 10 1HB ARG 10 -1.326 8.396 -3.685 77 HG2 ARG 10 2HG ARG 10 -2.484 7.599 -6.361 78 HG3 ARG 10 1HG ARG 10 -3.026 6.953 -4.814 79 HD2 ARG 10 2HD ARG 10 -3.511 9.361 -4.125 80 HD3 ARG 10 1HD ARG 10 -3.229 9.810 -5.808 81 HE ARG 10 HE ARG 10 -5.141 8.536 -6.439 82 HH11 ARG 10 2HH1 ARG 10 -4.822 8.877 -2.962 83 HH12 ARG 10 1HH1 ARG 10 -6.491 8.514 -2.653 84 HH21 ARG 10 2HH2 ARG 10 -7.321 8.016 -6.026 85 HH22 ARG 10 1HH2 ARG 10 -7.900 8.028 -4.385 86 H GLU 11 H GLU 11 0.081 11.386 -4.440 87 HA GLU 11 HA GLU 11 2.760 10.744 -3.382 88 HB2 GLU 11 2HB GLU 11 2.590 12.847 -4.648 89 HB3 GLU 11 1HB GLU 11 1.301 13.418 -3.588 90 HG2 GLU 11 2HG GLU 11 2.889 13.407 -1.668 91 HG3 GLU 11 1HG GLU 11 4.175 12.868 -2.746 92 H VAL 12 H VAL 12 2.804 9.925 -1.394 93 HA VAL 12 HA VAL 12 0.780 10.717 0.639 94 HB VAL 12 HB VAL 12 0.906 8.420 1.557 95 HG11 VAL 12 1HG1 VAL 12 0.204 8.456 -1.411 96 HG12 VAL 12 2HG1 VAL 12 -0.859 8.913 -0.080 97 HG13 VAL 12 3HG1 VAL 12 -0.326 7.242 -0.241 98 HG21 VAL 12 3HG2 VAL 12 3.188 7.804 0.883 99 HG22 VAL 12 1HG2 VAL 12 2.711 7.781 -0.817 100 HG23 VAL 12 2HG2 VAL 12 2.041 6.592 0.308 101 H GLN 13 H GLN 13 1.492 10.564 2.844 102 HA GLN 13 HA GLN 13 4.387 11.170 3.216 103 HB2 GLN 13 2HB GLN 13 3.801 12.739 4.915 104 HB3 GLN 13 1HB GLN 13 2.699 13.062 3.588 105 HG2 GLN 13 2HG GLN 13 2.047 11.584 6.156 106 HG3 GLN 13 1HG GLN 13 1.563 13.224 5.751 107 HE21 GLN 13 1HE2 GLN 13 -0.092 13.512 4.182 108 HE22 GLN 13 2HE2 GLN 13 -1.199 12.237 3.820 109 H SER 14 H SER 14 2.273 8.748 3.642 110 HA SER 14 HA SER 14 2.076 8.194 6.372 111 HB2 SER 14 2HB SER 14 1.902 6.239 4.045 112 HB3 SER 14 1HB SER 14 1.150 6.064 5.634 113 HG SER 14 HG SER 14 0.155 8.249 4.963 114 H ALA 15 H ALA 15 4.326 6.873 3.938 115 HA ALA 15 HA ALA 15 6.422 6.066 4.019 116 HB1 ALA 15 3HB ALA 15 6.440 6.606 7.002 117 HB2 ALA 15 1HB ALA 15 6.906 7.756 5.744 118 HB3 ALA 15 2HB ALA 15 7.842 6.279 5.978 119 H SER 16 H SER 16 4.437 4.779 6.725 120 HA SER 16 HA SER 16 5.417 2.046 6.178 121 HB2 SER 16 2HB SER 16 5.211 2.731 8.566 122 HB3 SER 16 1HB SER 16 3.498 3.080 8.338 123 HG SER 16 HG SER 16 4.132 0.947 9.248 124 H VAL 17 H VAL 17 4.030 0.447 5.425 125 HA VAL 17 HA VAL 17 1.856 1.236 3.765 126 HB VAL 17 HB VAL 17 2.864 -1.519 4.603 127 HG11 VAL 17 1HG1 VAL 17 1.417 -2.493 2.842 128 HG12 VAL 17 2HG1 VAL 17 0.660 -0.918 2.593 129 HG13 VAL 17 3HG1 VAL 17 0.463 -1.760 4.132 130 HG21 VAL 17 3HG2 VAL 17 3.674 -1.620 2.261 131 HG22 VAL 17 1HG2 VAL 17 4.357 -0.238 3.125 132 HG23 VAL 17 2HG2 VAL 17 3.039 0.002 1.974 133 H ALA 18 H ALA 18 2.055 -0.049 7.067 134 HA ALA 18 HA ALA 18 -0.689 -0.524 7.534 135 HB1 ALA 18 3HB ALA 18 1.428 0.408 9.500 136 HB2 ALA 18 1HB ALA 18 1.066 -1.267 9.080 137 HB3 ALA 18 2HB ALA 18 -0.139 -0.292 9.924 138 H ALA 19 H ALA 19 1.294 2.370 8.146 139 HA ALA 19 HA ALA 19 -0.754 4.128 8.939 140 HB1 ALA 19 3HB ALA 19 0.884 5.914 8.506 141 HB2 ALA 19 1HB ALA 19 1.905 4.776 7.614 142 HB3 ALA 19 2HB ALA 19 1.635 4.555 9.344 143 H LEU 20 H LEU 20 0.405 3.179 5.751 144 HA LEU 20 HA LEU 20 -0.853 5.198 4.198 145 HB2 LEU 20 2HB LEU 20 1.029 3.828 3.373 146 HB3 LEU 20 1HB LEU 20 0.028 2.385 3.438 147 HG LEU 20 HG LEU 20 -1.449 3.358 1.656 148 HD11 LEU 20 1HD1 LEU 20 -0.723 5.331 0.409 149 HD12 LEU 20 2HD1 LEU 20 0.600 5.587 1.549 150 HD13 LEU 20 3HD1 LEU 20 -1.078 5.729 2.089 151 HD21 LEU 20 3HD2 LEU 20 0.083 3.008 -0.206 152 HD22 LEU 20 1HD2 LEU 20 0.389 1.824 1.065 153 HD23 LEU 20 2HD2 LEU 20 1.475 3.204 0.862 154 H MET 21 H MET 21 -1.796 1.854 4.981 155 HA MET 21 HA MET 21 -4.265 1.881 3.560 156 HB2 MET 21 2HB MET 21 -3.320 0.061 5.820 157 HB3 MET 21 1HB MET 21 -4.717 -0.247 4.795 158 HG2 MET 21 2HG MET 21 -1.884 -0.022 3.749 159 HG3 MET 21 1HG MET 21 -2.649 -1.546 4.190 160 HE1 MET 21 3HE MET 21 -5.539 -1.512 3.106 161 HE2 MET 21 1HE MET 21 -4.386 -2.801 2.754 162 HE3 MET 21 2HE MET 21 -5.310 -2.062 1.447 163 H THR 22 H THR 22 -3.319 2.960 6.763 164 HA THR 22 HA THR 22 -6.032 3.276 7.730 165 HB THR 22 HB THR 22 -3.431 4.432 8.825 166 HG1 THR 22 HG1 THR 22 -3.336 2.248 9.003 167 HG21 THR 22 3HG2 THR 22 -4.671 4.720 10.944 168 HG22 THR 22 1HG2 THR 22 -6.151 4.150 10.174 169 HG23 THR 22 2HG2 THR 22 -5.423 5.676 9.666 170 H GLU 23 H GLU 23 -3.576 5.389 6.263 171 HA GLU 23 HA GLU 23 -4.896 7.881 6.533 172 HB2 GLU 23 2HB GLU 23 -2.503 7.756 5.995 173 HB3 GLU 23 1HB GLU 23 -2.844 6.908 4.493 174 HG2 GLU 23 2HG GLU 23 -2.272 9.180 3.949 175 HG3 GLU 23 1HG GLU 23 -3.986 8.962 3.634 176 H LEU 24 H LEU 24 -4.905 5.433 3.984 177 HA LEU 24 HA LEU 24 -6.863 6.825 2.332 178 HB2 LEU 24 2HB LEU 24 -5.449 4.149 2.018 179 HB3 LEU 24 1HB LEU 24 -6.544 4.834 0.825 180 HG LEU 24 HG LEU 24 -3.935 6.152 1.689 181 HD11 LEU 24 1HD1 LEU 24 -4.498 4.510 -0.798 182 HD12 LEU 24 2HD1 LEU 24 -3.468 4.043 0.562 183 HD13 LEU 24 3HD1 LEU 24 -3.012 5.408 -0.455 184 HD21 LEU 24 3HD2 LEU 24 -4.257 7.590 -0.263 185 HD22 LEU 24 1HD2 LEU 24 -5.612 7.745 0.852 186 HD23 LEU 24 2HD2 LEU 24 -5.792 6.796 -0.627 187 H ASP 25 H ASP 25 -7.024 4.955 5.045 188 HA ASP 25 HA ASP 25 -8.670 4.044 6.249 189 HB2 ASP 25 2HB ASP 25 -9.881 6.101 5.495 190 HB3 ASP 25 1HB ASP 25 -10.537 5.189 4.144 191 H CYS 26 H CYS 26 -7.444 2.544 4.025 192 HA CYS 26 HA CYS 26 -9.440 0.686 3.009 193 HB2 CYS 26 2HB CYS 26 -6.406 0.706 2.701 194 HB3 CYS 26 1HB CYS 26 -7.557 -0.239 1.752 195 HG CYS 26 HG CYS 26 -8.623 2.736 1.382 196 H THR 27 H THR 27 -8.598 0.891 5.990 197 HA THR 27 HA THR 27 -7.843 -1.906 6.517 198 HB THR 27 HB THR 27 -7.803 -1.152 8.922 199 HG1 THR 27 HG1 THR 27 -8.977 0.601 9.228 200 HG21 THR 27 3HG2 THR 27 -6.122 0.552 7.053 201 HG22 THR 27 1HG2 THR 27 -5.716 -1.066 7.620 202 HG23 THR 27 2HG2 THR 27 -5.787 0.274 8.762 203 H ASP 28 H ASP 28 -10.515 0.330 6.571 204 HA ASP 28 HA ASP 28 -12.199 -0.756 8.506 205 HB2 ASP 28 2HB ASP 28 -12.487 1.509 7.545 206 HB3 ASP 28 1HB ASP 28 -12.928 0.815 5.999 207 H GLY 29 H GLY 29 -12.529 -1.127 4.930 208 HA2 GLY 29 2HA GLY 29 -14.454 -3.305 5.256 209 HA3 GLY 29 1HA GLY 29 -13.957 -2.544 3.753 210 H HIS 30 H HIS 30 -11.505 -3.671 5.952 211 HA HIS 30 HA HIS 30 -9.817 -5.147 5.753 212 HB2 HIS 30 2HB HIS 30 -12.186 -6.923 5.057 213 HB3 HIS 30 1HB HIS 30 -10.556 -7.575 5.196 214 HD1 HIS 30 HD1 HIS 30 -13.471 -6.582 7.205 215 HD2 HIS 30 HD2 HIS 30 -9.453 -7.407 7.845 216 HE1 HIS 30 HE1 HIS 30 -13.242 -6.944 9.674 217 HE2 HIS 30 HE2 HIS 30 -10.847 -7.645 9.996 218 H TYR 31 H TYR 31 -9.299 -3.619 3.861 219 HA TYR 31 HA TYR 31 -9.200 -4.992 1.266 220 HB2 TYR 31 2HB TYR 31 -8.060 -2.283 2.097 221 HB3 TYR 31 1HB TYR 31 -8.017 -2.935 0.464 222 HD1 TYR 31 HD1 TYR 31 -10.371 -1.850 3.163 223 HD2 TYR 31 HD2 TYR 31 -9.841 -2.535 -1.018 224 HE1 TYR 31 HE1 TYR 31 -12.537 -0.809 2.722 225 HE2 TYR 31 HE2 TYR 31 -12.024 -1.507 -1.460 226 HH TYR 31 HH TYR 31 -14.045 -0.907 -0.400 227 H ALA 32 H ALA 32 -7.199 -5.489 0.279 228 HA ALA 32 HA ALA 32 -4.926 -5.904 2.124 229 HB1 ALA 32 3HB ALA 32 -5.652 -7.389 -0.439 230 HB2 ALA 32 1HB ALA 32 -5.842 -8.006 1.205 231 HB3 ALA 32 2HB ALA 32 -4.231 -7.693 0.563 232 H VAL 33 H VAL 33 -2.917 -5.421 1.310 233 HA VAL 33 HA VAL 33 -2.768 -3.486 -0.922 234 HB VAL 33 HB VAL 33 -1.951 -2.675 1.302 235 HG11 VAL 33 1HG1 VAL 33 0.052 -3.628 2.349 236 HG12 VAL 33 2HG1 VAL 33 0.130 -4.878 1.112 237 HG13 VAL 33 3HG1 VAL 33 -1.226 -4.835 2.240 238 HG21 VAL 33 3HG2 VAL 33 0.287 -3.015 -0.726 239 HG22 VAL 33 1HG2 VAL 33 0.249 -1.817 0.573 240 HG23 VAL 33 2HG2 VAL 33 -0.935 -1.743 -0.733 241 H ALA 34 H ALA 34 -1.311 -3.931 -2.569 242 HA ALA 34 HA ALA 34 0.161 -6.494 -2.492 243 HB1 ALA 34 3HB ALA 34 -1.836 -6.715 -3.914 244 HB2 ALA 34 1HB ALA 34 -0.357 -6.806 -4.873 245 HB3 ALA 34 2HB ALA 34 -1.323 -5.328 -4.874 246 H LEU 35 H LEU 35 2.173 -5.828 -2.172 247 HA LEU 35 HA LEU 35 3.182 -3.364 -3.391 248 HB2 LEU 35 2HB LEU 35 3.768 -3.858 -1.041 249 HB3 LEU 35 1HB LEU 35 4.528 -5.368 -1.524 250 HG LEU 35 HG LEU 35 6.243 -4.058 -2.822 251 HD11 LEU 35 1HD1 LEU 35 6.457 -1.629 -2.484 252 HD12 LEU 35 2HD1 LEU 35 4.924 -1.614 -1.608 253 HD13 LEU 35 3HD1 LEU 35 4.962 -2.049 -3.319 254 HD21 LEU 35 3HD2 LEU 35 6.058 -3.293 0.105 255 HD22 LEU 35 1HD2 LEU 35 7.514 -3.255 -0.893 256 HD23 LEU 35 2HD2 LEU 35 6.732 -4.792 -0.536 257 H ASN 36 H ASN 36 4.023 -3.402 -5.332 258 HA ASN 36 HA ASN 36 4.825 -4.032 -7.352 259 HB2 ASN 36 2HB ASN 36 6.218 -6.201 -5.717 260 HB3 ASN 36 1HB ASN 36 6.480 -5.987 -7.439 261 HD21 ASN 36 1HD2 ASN 36 6.141 -3.346 -5.063 262 HD22 ASN 36 2HD2 ASN 36 7.758 -2.779 -5.235 263 H TYR 37 H TYR 37 2.268 -4.926 -6.344 264 HA TYR 37 HA TYR 37 0.459 -6.111 -6.894 265 HB2 TYR 37 2HB TYR 37 2.128 -7.079 -9.251 266 HB3 TYR 37 1HB TYR 37 0.425 -7.472 -9.042 267 HD1 TYR 37 HD2 TYR 37 -1.288 -5.595 -9.028 268 HD2 TYR 37 HD1 TYR 37 2.774 -4.942 -10.187 269 HE1 TYR 37 HE2 TYR 37 -1.931 -3.490 -10.108 270 HE2 TYR 37 HE1 TYR 37 2.124 -2.845 -11.271 271 HH TYR 37 HH TYR 37 0.214 -1.742 -12.149 272 H ASP 38 H ASP 38 2.659 -7.265 -5.170 273 HA ASP 38 HA ASP 38 1.607 -10.040 -5.040 274 HB2 ASP 38 2HB ASP 38 4.062 -9.927 -5.374 275 HB3 ASP 38 1HB ASP 38 4.229 -8.896 -3.958 276 H VAL 39 H VAL 39 0.142 -10.322 -3.437 277 HA VAL 39 HA VAL 39 -0.674 -8.154 -1.803 278 HB VAL 39 HB VAL 39 -1.596 -11.061 -1.822 279 HG11 VAL 39 1HG1 VAL 39 -3.592 -10.306 -0.547 280 HG12 VAL 39 2HG1 VAL 39 -2.869 -8.705 -0.376 281 HG13 VAL 39 3HG1 VAL 39 -2.107 -10.103 0.383 282 HG21 VAL 39 3HG2 VAL 39 -3.558 -10.173 -3.051 283 HG22 VAL 39 1HG2 VAL 39 -2.051 -9.854 -3.917 284 HG23 VAL 39 2HG2 VAL 39 -2.845 -8.559 -3.019 285 H VAL 40 H VAL 40 0.056 -7.566 0.080 286 HA VAL 40 HA VAL 40 1.695 -9.270 1.804 287 HB VAL 40 HB VAL 40 1.138 -6.268 1.906 288 HG11 VAL 40 1HG1 VAL 40 3.003 -6.132 3.536 289 HG12 VAL 40 2HG1 VAL 40 3.110 -7.895 3.550 290 HG13 VAL 40 3HG1 VAL 40 1.656 -7.094 4.151 291 HG21 VAL 40 3HG2 VAL 40 3.605 -7.745 0.926 292 HG22 VAL 40 1HG2 VAL 40 3.445 -5.990 1.062 293 HG23 VAL 40 2HG2 VAL 40 2.436 -6.882 -0.081 294 HA PRO 41 HA PRO 41 -2.008 -9.809 4.482 295 HB2 PRO 41 2HB PRO 41 -0.684 -11.022 6.604 296 HB3 PRO 41 1HB PRO 41 -1.169 -11.883 5.132 297 HG2 PRO 41 2HG PRO 41 1.508 -10.732 5.842 298 HG3 PRO 41 1HG PRO 41 1.121 -12.307 5.109 299 HD2 PRO 41 2HD PRO 41 1.992 -10.244 3.605 300 HD3 PRO 41 1HD PRO 41 0.783 -11.389 2.983 301 H ARG 42 H ARG 42 -2.758 -9.013 6.538 302 HA ARG 42 HA ARG 42 -2.183 -6.313 6.869 303 HB2 ARG 42 2HB ARG 42 -4.408 -7.297 7.358 304 HB3 ARG 42 1HB ARG 42 -3.741 -8.088 8.783 305 HG2 ARG 42 2HG ARG 42 -3.253 -5.854 9.774 306 HG3 ARG 42 1HG ARG 42 -3.954 -5.091 8.347 307 HD2 ARG 42 2HD ARG 42 -6.133 -6.159 8.869 308 HD3 ARG 42 1HD ARG 42 -5.416 -6.867 10.327 309 HE ARG 42 HE ARG 42 -5.102 -4.016 10.192 310 HH11 ARG 42 2HH1 ARG 42 -7.358 -6.528 11.200 311 HH12 ARG 42 1HH1 ARG 42 -8.179 -5.491 12.322 312 HH21 ARG 42 1HH2 ARG 42 -6.196 -2.679 11.638 313 HH22 ARG 42 2HH2 ARG 42 -7.520 -3.309 12.567 314 H GLY 43 H GLY 43 -1.209 -9.065 8.867 315 HA2 GLY 43 2HA GLY 43 -0.104 -7.693 11.047 316 HA3 GLY 43 1HA GLY 43 0.335 -9.310 10.528 317 H LYS 44 H LYS 44 1.127 -7.912 7.826 318 HA LYS 44 HA LYS 44 3.888 -7.334 8.684 319 HB2 LYS 44 2HB LYS 44 2.824 -8.215 5.975 320 HB3 LYS 44 1HB LYS 44 4.515 -7.851 6.325 321 HG2 LYS 44 2HG LYS 44 4.450 -9.684 8.072 322 HG3 LYS 44 1HG LYS 44 2.851 -10.121 7.450 323 HD2 LYS 44 2HD LYS 44 3.877 -10.450 5.183 324 HD3 LYS 44 1HD LYS 44 5.463 -10.112 5.879 325 HE2 LYS 44 2HE LYS 44 5.198 -12.089 7.361 326 HE3 LYS 44 1HE LYS 44 3.642 -12.431 6.603 327 HZ1 LYS 44 3HZ LYS 44 4.794 -12.709 4.479 328 HZ2 LYS 44 1HZ LYS 44 5.383 -13.785 5.642 329 HZ3 LYS 44 2HZ LYS 44 6.281 -12.413 5.224 330 H TRP 45 H TRP 45 1.153 -5.654 7.634 331 HA TRP 45 HA TRP 45 2.114 -3.805 5.765 332 HB2 TRP 45 2HB TRP 45 0.010 -3.403 7.928 333 HB3 TRP 45 1HB TRP 45 0.317 -2.246 6.637 334 HD1 TRP 45 HD1 TRP 45 0.619 -5.315 4.826 335 HE1 TRP 45 HE1 TRP 45 -1.611 -6.055 3.785 336 HE3 TRP 45 HE3 TRP 45 -2.560 -2.342 7.499 337 HZ2 TRP 45 HZ2 TRP 45 -4.347 -5.449 4.036 338 HZ3 TRP 45 HZ3 TRP 45 -4.974 -2.484 7.037 339 HH2 TRP 45 HH2 TRP 45 -5.848 -4.001 5.341 340 H ASP 46 H ASP 46 2.373 -3.756 9.277 341 HA ASP 46 HA ASP 46 3.515 -1.218 9.689 342 HB2 ASP 46 2HB ASP 46 2.532 -2.547 11.503 343 HB3 ASP 46 1HB ASP 46 3.742 -3.806 11.288 344 H GLU 47 H GLU 47 5.066 -4.406 9.304 345 HA GLU 47 HA GLU 47 7.764 -3.309 9.295 346 HB2 GLU 47 2HB GLU 47 8.470 -5.684 9.057 347 HB3 GLU 47 1HB GLU 47 7.360 -5.459 10.407 348 HG2 GLU 47 2HG GLU 47 5.523 -6.370 9.138 349 HG3 GLU 47 1HG GLU 47 6.492 -6.435 7.675 350 H THR 48 H THR 48 5.469 -3.337 6.909 351 HA THR 48 HA THR 48 7.393 -3.753 4.695 352 HB THR 48 HB THR 48 4.344 -3.584 4.632 353 HG1 THR 48 HG1 THR 48 5.474 -5.552 5.439 354 HG21 THR 48 3HG2 THR 48 6.267 -4.161 2.340 355 HG22 THR 48 1HG2 THR 48 5.322 -2.681 2.527 356 HG23 THR 48 2HG2 THR 48 4.505 -4.221 2.254 357 HA PRO 49 HA PRO 49 7.413 0.812 4.607 358 HB2 PRO 49 2HB PRO 49 9.486 1.196 2.906 359 HB3 PRO 49 1HB PRO 49 9.741 0.518 4.527 360 HG2 PRO 49 2HG PRO 49 9.564 -0.932 1.899 361 HG3 PRO 49 1HG PRO 49 10.739 -1.141 3.218 362 HD2 PRO 49 2HD PRO 49 8.537 -2.769 2.896 363 HD3 PRO 49 1HD PRO 49 9.310 -2.465 4.469 364 H VAL 50 H VAL 50 6.980 2.543 3.180 365 HA VAL 50 HA VAL 50 5.798 1.943 0.533 366 HB VAL 50 HB VAL 50 5.416 4.392 2.348 367 HG11 VAL 50 1HG1 VAL 50 4.170 3.836 -0.371 368 HG12 VAL 50 2HG1 VAL 50 5.335 5.106 0.002 369 HG13 VAL 50 3HG1 VAL 50 3.718 5.162 0.704 370 HG21 VAL 50 3HG2 VAL 50 4.205 2.391 3.138 371 HG22 VAL 50 1HG2 VAL 50 3.418 2.243 1.564 372 HG23 VAL 50 2HG2 VAL 50 3.091 3.645 2.588 373 H THR 51 H THR 51 7.652 1.970 -0.767 374 HA THR 51 HA THR 51 9.548 4.218 -0.487 375 HB THR 51 HB THR 51 11.106 2.710 -1.831 376 HG1 THR 51 HG1 THR 51 10.051 1.089 -2.723 377 HG21 THR 51 3HG2 THR 51 11.695 1.233 0.044 378 HG22 THR 51 1HG2 THR 51 10.128 1.539 0.797 379 HG23 THR 51 2HG2 THR 51 11.302 2.848 0.641 380 H ALA 52 H ALA 52 10.149 5.370 -2.337 381 HA ALA 52 HA ALA 52 7.927 6.188 -3.803 382 HB1 ALA 52 3HB ALA 52 9.750 7.686 -3.120 383 HB2 ALA 52 1HB ALA 52 9.442 7.808 -4.857 384 HB3 ALA 52 2HB ALA 52 10.842 6.903 -4.266 385 H GLY 53 H GLY 53 7.090 5.640 -5.702 386 HA2 GLY 53 2HA GLY 53 6.942 5.031 -7.920 387 HA3 GLY 53 1HA GLY 53 8.661 4.677 -7.938 388 H ASP 54 H ASP 54 7.041 3.061 -5.377 389 HA ASP 54 HA ASP 54 7.144 0.513 -6.817 390 HB2 ASP 54 2HB ASP 54 6.669 1.248 -3.902 391 HB3 ASP 54 1HB ASP 54 6.351 -0.386 -4.489 392 H GLU 55 H GLU 55 5.456 -0.901 -7.066 393 HA GLU 55 HA GLU 55 2.965 0.366 -7.836 394 HB2 GLU 55 2HB GLU 55 3.941 -2.496 -8.259 395 HB3 GLU 55 1HB GLU 55 2.491 -1.796 -8.970 396 HG2 GLU 55 2HG GLU 55 4.189 -1.837 -10.665 397 HG3 GLU 55 1HG GLU 55 3.933 -0.159 -10.198 398 H ILE 56 H ILE 56 2.148 0.769 -5.752 399 HA ILE 56 HA ILE 56 1.463 -1.429 -3.947 400 HB ILE 56 HB ILE 56 1.038 1.600 -3.770 401 HG12 ILE 56 2HG1 ILE 56 3.090 -0.180 -2.377 402 HG13 ILE 56 1HG1 ILE 56 3.433 0.912 -3.714 403 HG21 ILE 56 1HG2 ILE 56 -0.665 0.401 -2.440 404 HG22 ILE 56 2HG2 ILE 56 0.465 1.277 -1.406 405 HG23 ILE 56 3HG2 ILE 56 0.616 -0.469 -1.592 406 HD11 ILE 56 3HD1 ILE 56 4.156 1.876 -1.646 407 HD12 ILE 56 1HD1 ILE 56 2.550 1.699 -0.941 408 HD13 ILE 56 2HD1 ILE 56 2.808 2.815 -2.286 409 H GLU 57 H GLU 57 -0.189 -2.577 -5.024 410 HA GLU 57 HA GLU 57 -2.550 -1.181 -6.064 411 HB2 GLU 57 2HB GLU 57 -1.645 -2.950 -7.478 412 HB3 GLU 57 1HB GLU 57 -1.686 -4.106 -6.153 413 HG2 GLU 57 2HG GLU 57 -3.494 -4.521 -7.763 414 HG3 GLU 57 1HG GLU 57 -4.135 -4.104 -6.175 415 H ILE 58 H ILE 58 -4.103 -0.708 -4.598 416 HA ILE 58 HA ILE 58 -4.430 -2.414 -2.200 417 HB ILE 58 HB ILE 58 -5.329 0.463 -2.708 418 HG12 ILE 58 2HG1 ILE 58 -3.168 -0.720 -0.894 419 HG13 ILE 58 1HG1 ILE 58 -2.897 0.251 -2.336 420 HG21 ILE 58 1HG2 ILE 58 -6.069 0.477 -0.336 421 HG22 ILE 58 2HG2 ILE 58 -5.700 -1.244 -0.214 422 HG23 ILE 58 3HG2 ILE 58 -6.983 -0.691 -1.293 423 HD11 ILE 58 3HD1 ILE 58 -3.924 2.175 -1.196 424 HD12 ILE 58 1HD1 ILE 58 -2.502 1.547 -0.368 425 HD13 ILE 58 2HD1 ILE 58 -4.109 1.188 0.260 426 H LEU 59 H LEU 59 -5.818 -3.947 -2.609 427 HA LEU 59 HA LEU 59 -8.328 -3.419 -4.114 428 HB2 LEU 59 2HB LEU 59 -8.046 -5.901 -4.840 429 HB3 LEU 59 1HB LEU 59 -7.087 -4.676 -5.642 430 HG LEU 59 HG LEU 59 -5.088 -5.340 -4.272 431 HD11 LEU 59 1HD1 LEU 59 -6.165 -6.272 -2.284 432 HD12 LEU 59 2HD1 LEU 59 -5.066 -7.446 -3.004 433 HD13 LEU 59 3HD1 LEU 59 -6.810 -7.613 -3.234 434 HD21 LEU 59 3HD2 LEU 59 -6.349 -7.616 -5.823 435 HD22 LEU 59 1HD2 LEU 59 -4.633 -7.455 -5.431 436 HD23 LEU 59 2HD2 LEU 59 -5.404 -6.288 -6.504 437 H THR 60 H THR 60 -9.879 -5.381 -3.693 438 HA THR 60 HA THR 60 -9.968 -5.913 -0.783 439 HB THR 60 HB THR 60 -12.252 -6.139 -2.793 440 HG1 THR 60 HG1 THR 60 -12.564 -4.092 -1.122 441 HG21 THR 60 3HG2 THR 60 -13.702 -6.056 -0.798 442 HG22 THR 60 1HG2 THR 60 -12.281 -6.007 0.242 443 HG23 THR 60 2HG2 THR 60 -12.614 -7.447 -0.728 444 HA PRO 61 HA PRO 61 -8.646 -9.995 -2.268 445 HB2 PRO 61 2HB PRO 61 -8.486 -11.244 0.199 446 HB3 PRO 61 1HB PRO 61 -7.246 -10.143 -0.429 447 HG2 PRO 61 2HG PRO 61 -9.421 -9.587 1.551 448 HG3 PRO 61 1HG PRO 61 -7.731 -9.036 1.544 449 HD2 PRO 61 2HD PRO 61 -9.800 -7.444 0.756 450 HD3 PRO 61 1HD PRO 61 -8.160 -7.293 0.089 451 H ARG 62 H ARG 62 -10.077 -11.240 -3.275 452 HA ARG 62 HA ARG 62 -11.737 -12.645 -3.821 453 HB2 ARG 62 2HB ARG 62 -12.259 -12.815 -0.833 454 HB3 ARG 62 1HB ARG 62 -13.102 -13.796 -2.026 455 HG2 ARG 62 2HG ARG 62 -11.066 -14.943 -2.628 456 HG3 ARG 62 1HG ARG 62 -10.089 -13.852 -1.635 457 HD2 ARG 62 2HD ARG 62 -10.489 -16.065 -0.543 458 HD3 ARG 62 1HD ARG 62 -11.107 -14.703 0.397 459 HE ARG 62 HE ARG 62 -13.005 -16.068 -1.356 460 HH11 ARG 62 2HH1 ARG 62 -11.795 -15.733 1.936 461 HH12 ARG 62 1HH1 ARG 62 -13.206 -16.441 2.646 462 HH21 ARG 62 1HH2 ARG 62 -14.864 -16.942 -0.396 463 HH22 ARG 62 2HH2 ARG 62 -14.938 -17.124 1.333 464 H GLN 63 H GLN 63 -13.309 -11.698 -4.963 465 HA GLN 63 HA GLN 63 -15.319 -10.860 -5.554 466 HB2 GLN 63 2HB GLN 63 -15.983 -11.083 -2.577 467 HB3 GLN 63 1HB GLN 63 -17.161 -10.710 -3.836 468 HG2 GLN 63 2HG GLN 63 -16.762 -12.901 -4.885 469 HG3 GLN 63 1HG GLN 63 -15.549 -13.282 -3.664 470 HE21 GLN 63 1HE2 GLN 63 -18.973 -12.879 -4.273 471 HE22 GLN 63 2HE2 GLN 63 -19.524 -13.668 -2.841 472 H GLY 64 H GLY 64 -13.169 -9.136 -5.220 473 HA2 GLY 64 2HA GLY 64 -14.272 -6.620 -4.096 474 HA3 GLY 64 1HA GLY 64 -12.573 -6.978 -4.365 475 H GLY 65 H GLY 65 -13.685 -8.155 -7.104 476 HA2 GLY 65 2HA GLY 65 -13.150 -6.071 -8.862 477 HA3 GLY 65 1HA GLY 65 -14.142 -7.465 -9.248 478 H LEU 66 H LEU 66 -16.225 -7.028 -7.465 479 HA LEU 66 HA LEU 66 -17.555 -4.579 -8.491 480 HB2 LEU 66 2HB LEU 66 -18.856 -7.203 -7.634 481 HB3 LEU 66 1HB LEU 66 -19.723 -5.763 -8.133 482 HG LEU 66 HG LEU 66 -19.814 -7.229 -9.984 483 HD11 LEU 66 1HD1 LEU 66 -18.630 -6.078 -11.782 484 HD12 LEU 66 2HD1 LEU 66 -17.601 -5.257 -10.606 485 HD13 LEU 66 3HD1 LEU 66 -19.338 -4.937 -10.640 486 HD21 LEU 66 3HD2 LEU 66 -17.914 -8.368 -11.023 487 HD22 LEU 66 1HD2 LEU 66 -18.093 -8.843 -9.335 488 HD23 LEU 66 2HD2 LEU 66 -16.822 -7.711 -9.802 489 H GLU 67 H GLU 67 -15.827 -4.549 -6.317 490 HA GLU 67 HA GLU 67 -16.845 -4.621 -3.761 491 HB2 GLU 67 2HB GLU 67 -14.479 -3.848 -4.706 492 HB3 GLU 67 1HB GLU 67 -15.166 -2.238 -4.636 493 HG2 GLU 67 2HG GLU 67 -14.788 -4.128 -2.291 494 HG3 GLU 67 1HG GLU 67 -13.764 -2.753 -2.679 495 H HIS 68 H HIS 68 -18.319 -3.422 -2.612 496 HA HIS 68 HA HIS 68 -20.027 -1.557 -4.113 497 HB2 HIS 68 2HB HIS 68 -20.448 -2.916 -1.406 498 HB3 HIS 68 1HB HIS 68 -21.604 -1.825 -2.168 499 HD1 HIS 68 HD1 HIS 68 -23.426 -3.090 -3.242 500 HD2 HIS 68 HD2 HIS 68 -19.845 -5.170 -3.443 501 HE1 HIS 68 HE1 HIS 68 -23.976 -5.278 -4.335 502 HE2 HIS 68 HE2 HIS 68 -21.834 -6.582 -4.248 503 H HIS 69 H HIS 69 -18.519 0.135 -4.156 504 HA HIS 69 HA HIS 69 -17.039 1.198 -2.052 505 HB2 HIS 69 2HB HIS 69 -18.043 2.551 -4.592 506 HB3 HIS 69 1HB HIS 69 -16.838 3.251 -3.510 507 HD1 HIS 69 HD1 HIS 69 -17.313 0.269 -5.806 508 HD2 HIS 69 HD2 HIS 69 -14.263 2.384 -3.949 509 HE1 HIS 69 HE1 HIS 69 -15.184 -0.671 -6.727 510 HE2 HIS 69 HE2 HIS 69 -13.370 0.747 -5.722 511 H HIS 70 H HIS 70 -17.984 1.721 -0.191 512 HA HIS 70 HA HIS 70 -20.343 3.505 -0.107 513 HB2 HIS 70 2HB HIS 70 -20.417 1.285 1.118 514 HB3 HIS 70 1HB HIS 70 -19.096 1.842 2.143 515 HD1 HIS 70 HD1 HIS 70 -20.353 1.908 4.325 516 HD2 HIS 70 HD2 HIS 70 -22.298 4.037 1.333 517 HE1 HIS 70 HE1 HIS 70 -22.249 3.085 5.460 518 HE2 HIS 70 HE2 HIS 70 -23.469 4.274 3.617 519 H HIS 71 H HIS 71 -17.532 4.262 -0.729 520 HA HIS 71 HA HIS 71 -16.327 5.759 1.341 521 HB2 HIS 71 2HB HIS 71 -15.289 5.082 -0.899 522 HB3 HIS 71 1HB HIS 71 -16.232 6.354 -1.660 523 HD1 HIS 71 HD1 HIS 71 -14.817 8.336 -2.083 524 HD2 HIS 71 HD2 HIS 71 -13.668 6.366 1.381 525 HE1 HIS 71 HE1 HIS 71 -12.833 9.605 -1.216 526 HE2 HIS 71 HE2 HIS 71 -12.126 8.358 0.851 527 H HIS 72 H HIS 72 -16.785 7.824 2.129 528 HA HIS 72 HA HIS 72 -19.380 8.819 1.987 529 HB2 HIS 72 2HB HIS 72 -16.822 10.150 2.953 530 HB3 HIS 72 1HB HIS 72 -18.379 10.972 3.050 531 HD1 HIS 72 HD1 HIS 72 -20.278 9.443 4.402 532 HD2 HIS 72 HD2 HIS 72 -16.258 8.762 5.229 533 HE1 HIS 72 HE1 HIS 72 -20.227 8.335 6.656 534 HE2 HIS 72 HE2 HIS 72 -17.787 7.998 7.161 535 H HIS 73 H HIS 73 -16.498 10.002 0.280 536 HA HIS 73 HA HIS 73 -18.211 11.160 -1.811 537 HB2 HIS 73 2HB HIS 73 -15.946 12.698 -0.434 538 HB3 HIS 73 1HB HIS 73 -16.735 13.211 -1.924 539 HD1 HIS 73 HD1 HIS 73 -19.269 13.935 -1.711 540 HD2 HIS 73 HD2 HIS 73 -17.325 13.321 1.904 541 HE1 HIS 73 HE1 HIS 73 -20.774 14.920 0.037 542 HE2 HIS 73 HE2 HIS 73 -19.672 14.332 2.219 Start of MODEL 9 1 H1 MET 1 1H MET 1 6.220 11.843 -1.127 2 H2 MET 1 2H MET 1 7.719 11.443 -0.472 3 H3 MET 1 3H MET 1 6.457 10.320 -0.438 4 HA MET 1 HA MET 1 7.825 11.362 -2.836 5 HB2 MET 1 2HB MET 1 8.849 9.206 -3.044 6 HB3 MET 1 1HB MET 1 9.100 9.730 -1.389 7 HG2 MET 1 2HG MET 1 7.064 7.701 -2.324 8 HG3 MET 1 1HG MET 1 8.574 7.358 -1.483 9 HE1 MET 1 3HE MET 1 5.761 6.201 -0.580 10 HE2 MET 1 1HE MET 1 5.903 6.403 1.166 11 HE3 MET 1 2HE MET 1 7.295 5.867 0.225 12 H LEU 2 H LEU 2 7.250 10.121 -4.809 13 HA LEU 2 HA LEU 2 4.341 9.928 -5.083 14 HB2 LEU 2 2HB LEU 2 5.732 11.344 -6.627 15 HB3 LEU 2 1HB LEU 2 6.550 9.895 -7.184 16 HG LEU 2 HG LEU 2 4.316 9.047 -8.039 17 HD11 LEU 2 1HD1 LEU 2 2.485 10.643 -8.333 18 HD12 LEU 2 2HD1 LEU 2 3.374 11.855 -7.408 19 HD13 LEU 2 3HD1 LEU 2 2.834 10.365 -6.629 20 HD21 LEU 2 3HD2 LEU 2 5.290 11.665 -9.236 21 HD22 LEU 2 1HD2 LEU 2 4.297 10.454 -10.055 22 HD23 LEU 2 2HD2 LEU 2 5.943 10.061 -9.570 23 H VAL 3 H VAL 3 3.421 7.936 -4.883 24 HA VAL 3 HA VAL 3 4.779 5.559 -6.032 25 HB VAL 3 HB VAL 3 3.963 4.126 -4.225 26 HG11 VAL 3 1HG1 VAL 3 5.416 4.891 -2.383 27 HG12 VAL 3 2HG1 VAL 3 5.513 6.491 -3.120 28 HG13 VAL 3 3HG1 VAL 3 6.187 5.092 -3.957 29 HG21 VAL 3 3HG2 VAL 3 2.854 6.626 -2.885 30 HG22 VAL 3 1HG2 VAL 3 2.928 5.015 -2.158 31 HG23 VAL 3 2HG2 VAL 3 1.915 5.300 -3.572 32 H THR 4 H THR 4 3.496 4.175 -7.171 33 HA THR 4 HA THR 4 0.970 5.045 -8.181 34 HB THR 4 HB THR 4 2.391 2.353 -8.502 35 HG1 THR 4 HG1 THR 4 3.733 3.690 -9.472 36 HG21 THR 4 3HG2 THR 4 1.050 2.075 -10.551 37 HG22 THR 4 1HG2 THR 4 0.207 3.596 -10.222 38 HG23 THR 4 2HG2 THR 4 -0.003 2.218 -9.144 39 H ILE 5 H ILE 5 -0.710 5.023 -6.714 40 HA ILE 5 HA ILE 5 -1.248 2.570 -5.158 41 HB ILE 5 HB ILE 5 -2.631 5.280 -4.869 42 HG12 ILE 5 2HG1 ILE 5 -0.394 4.093 -3.153 43 HG13 ILE 5 1HG1 ILE 5 -0.194 5.415 -4.294 44 HG21 ILE 5 1HG2 ILE 5 -3.988 3.351 -4.083 45 HG22 ILE 5 2HG2 ILE 5 -3.491 4.376 -2.736 46 HG23 ILE 5 3HG2 ILE 5 -2.660 2.848 -3.032 47 HD11 ILE 5 3HD1 ILE 5 -1.701 6.795 -2.961 48 HD12 ILE 5 1HD1 ILE 5 -0.307 6.236 -2.039 49 HD13 ILE 5 2HD1 ILE 5 -1.879 5.477 -1.799 50 H ASN 6 H ASN 6 -2.294 1.155 -6.417 51 HA ASN 6 HA ASN 6 -3.946 0.056 -7.497 52 HB2 ASN 6 2HB ASN 6 -5.584 2.477 -6.635 53 HB3 ASN 6 1HB ASN 6 -6.288 1.086 -7.456 54 HD21 ASN 6 1HD2 ASN 6 -6.610 -0.801 -6.320 55 HD22 ASN 6 2HD2 ASN 6 -6.341 -0.937 -4.624 56 H GLY 7 H GLY 7 -2.129 1.694 -8.997 57 HA2 GLY 7 2HA GLY 7 -1.828 1.946 -11.292 58 HA3 GLY 7 1HA GLY 7 -3.562 1.835 -11.545 59 H GLU 8 H GLU 8 -3.125 4.011 -9.088 60 HA GLU 8 HA GLU 8 -2.810 6.352 -10.866 61 HB2 GLU 8 2HB GLU 8 -5.154 6.122 -10.090 62 HB3 GLU 8 1HB GLU 8 -4.613 6.036 -8.417 63 HG2 GLU 8 2HG GLU 8 -5.503 8.234 -8.866 64 HG3 GLU 8 1HG GLU 8 -3.770 8.359 -8.587 65 H GLN 9 H GLN 9 -0.944 7.334 -10.424 66 HA GLN 9 HA GLN 9 0.637 6.788 -8.112 67 HB2 GLN 9 2HB GLN 9 1.005 8.900 -10.291 68 HB3 GLN 9 1HB GLN 9 2.192 8.550 -9.038 69 HG2 GLN 9 2HG GLN 9 2.937 7.421 -10.998 70 HG3 GLN 9 1HG GLN 9 2.301 6.178 -9.926 71 HE21 GLN 9 1HE2 GLN 9 1.801 7.904 -12.924 72 HE22 GLN 9 2HE2 GLN 9 0.609 6.838 -13.573 73 H ARG 10 H ARG 10 1.223 8.248 -6.364 74 HA ARG 10 HA ARG 10 -0.374 10.656 -5.951 75 HB2 ARG 10 2HB ARG 10 -1.884 8.813 -5.241 76 HB3 ARG 10 1HB ARG 10 -0.680 8.260 -4.083 77 HG2 ARG 10 2HG ARG 10 -0.896 10.328 -2.801 78 HG3 ARG 10 1HG ARG 10 -1.983 11.011 -4.011 79 HD2 ARG 10 2HD ARG 10 -2.565 8.579 -2.288 80 HD3 ARG 10 1HD ARG 10 -3.204 10.205 -2.034 81 HE ARG 10 HE ARG 10 -3.759 9.064 -4.638 82 HH11 ARG 10 2HH1 ARG 10 -4.992 9.454 -1.362 83 HH12 ARG 10 1HH1 ARG 10 -6.638 9.157 -1.825 84 HH21 ARG 10 1HH2 ARG 10 -5.902 8.675 -5.228 85 HH22 ARG 10 2HH2 ARG 10 -7.158 8.712 -4.028 86 H GLU 11 H GLU 11 0.524 12.050 -4.571 87 HA GLU 11 HA GLU 11 3.224 11.616 -3.622 88 HB2 GLU 11 2HB GLU 11 2.605 13.703 -4.795 89 HB3 GLU 11 1HB GLU 11 1.371 14.044 -3.587 90 HG2 GLU 11 2HG GLU 11 3.438 15.417 -3.341 91 HG3 GLU 11 1HG GLU 11 3.032 14.484 -1.905 92 H VAL 12 H VAL 12 3.257 10.355 -1.833 93 HA VAL 12 HA VAL 12 1.591 11.041 0.533 94 HB VAL 12 HB VAL 12 1.544 8.688 1.190 95 HG11 VAL 12 1HG1 VAL 12 0.635 9.014 -1.695 96 HG12 VAL 12 2HG1 VAL 12 -0.286 9.418 -0.245 97 HG13 VAL 12 3HG1 VAL 12 0.104 7.735 -0.594 98 HG21 VAL 12 3HG2 VAL 12 3.135 8.063 -1.335 99 HG22 VAL 12 1HG2 VAL 12 2.422 6.858 -0.255 100 HG23 VAL 12 2HG2 VAL 12 3.706 7.916 0.328 101 H GLN 13 H GLN 13 2.603 10.627 2.595 102 HA GLN 13 HA GLN 13 5.578 10.495 2.592 103 HB2 GLN 13 2HB GLN 13 3.688 11.772 4.639 104 HB3 GLN 13 1HB GLN 13 5.433 11.647 4.830 105 HG2 GLN 13 2HG GLN 13 4.025 13.192 2.639 106 HG3 GLN 13 1HG GLN 13 4.718 13.895 4.098 107 HE21 GLN 13 1HE2 GLN 13 7.153 12.308 4.101 108 HE22 GLN 13 2HE2 GLN 13 8.104 12.850 2.768 109 H SER 14 H SER 14 3.120 8.485 2.821 110 HA SER 14 HA SER 14 3.536 7.096 5.287 111 HB2 SER 14 2HB SER 14 2.202 6.224 2.690 112 HB3 SER 14 1HB SER 14 2.131 5.323 4.216 113 HG SER 14 HG SER 14 0.565 7.291 3.413 114 H ALA 15 H ALA 15 5.695 6.646 5.474 115 HA ALA 15 HA ALA 15 7.240 5.151 3.540 116 HB1 ALA 15 3HB ALA 15 7.842 5.760 6.458 117 HB2 ALA 15 1HB ALA 15 8.315 6.751 5.077 118 HB3 ALA 15 2HB ALA 15 8.989 5.132 5.271 119 H SER 16 H SER 16 4.782 4.229 5.582 120 HA SER 16 HA SER 16 5.574 1.378 5.482 121 HB2 SER 16 2HB SER 16 5.673 2.122 7.830 122 HB3 SER 16 1HB SER 16 4.061 2.828 7.712 123 HG SER 16 HG SER 16 4.669 0.054 7.412 124 H VAL 17 H VAL 17 3.913 -0.055 4.993 125 HA VAL 17 HA VAL 17 1.819 0.824 3.302 126 HB VAL 17 HB VAL 17 2.166 -1.922 4.599 127 HG11 VAL 17 1HG1 VAL 17 0.848 -2.796 2.713 128 HG12 VAL 17 2HG1 VAL 17 0.598 -1.156 2.113 129 HG13 VAL 17 3HG1 VAL 17 -0.085 -1.641 3.667 130 HG21 VAL 17 3HG2 VAL 17 3.335 -2.616 2.544 131 HG22 VAL 17 1HG2 VAL 17 4.191 -1.293 3.340 132 HG23 VAL 17 2HG2 VAL 17 3.214 -0.973 1.906 133 H ALA 18 H ALA 18 1.944 -0.069 6.731 134 HA ALA 18 HA ALA 18 -0.790 -0.237 7.353 135 HB1 ALA 18 3HB ALA 18 1.470 0.735 9.131 136 HB2 ALA 18 1HB ALA 18 0.969 -0.941 8.903 137 HB3 ALA 18 2HB ALA 18 -0.125 0.204 9.680 138 H ALA 19 H ALA 19 1.421 2.556 7.585 139 HA ALA 19 HA ALA 19 -0.445 4.494 8.415 140 HB1 ALA 19 3HB ALA 19 2.116 4.882 6.824 141 HB2 ALA 19 1HB ALA 19 1.972 4.844 8.580 142 HB3 ALA 19 2HB ALA 19 1.227 6.157 7.668 143 H LEU 20 H LEU 20 0.476 3.348 5.193 144 HA LEU 20 HA LEU 20 -0.805 5.406 3.720 145 HB2 LEU 20 2HB LEU 20 1.044 3.940 2.853 146 HB3 LEU 20 1HB LEU 20 -0.104 2.613 2.746 147 HG LEU 20 HG LEU 20 -1.366 3.738 0.996 148 HD11 LEU 20 1HD1 LEU 20 -1.282 6.040 1.825 149 HD12 LEU 20 2HD1 LEU 20 -0.802 5.965 0.135 150 HD13 LEU 20 3HD1 LEU 20 0.426 6.161 1.387 151 HD21 LEU 20 3HD2 LEU 20 0.637 2.532 0.248 152 HD22 LEU 20 1HD2 LEU 20 1.605 4.001 0.410 153 HD23 LEU 20 2HD2 LEU 20 0.311 3.916 -0.791 154 H MET 21 H MET 21 -1.813 2.031 4.426 155 HA MET 21 HA MET 21 -4.286 2.265 3.014 156 HB2 MET 21 2HB MET 21 -3.383 0.151 5.015 157 HB3 MET 21 1HB MET 21 -4.834 0.047 4.029 158 HG2 MET 21 2HG MET 21 -3.283 0.255 1.989 159 HG3 MET 21 1HG MET 21 -1.961 -0.043 3.121 160 HE1 MET 21 3HE MET 21 -5.151 -1.494 1.376 161 HE2 MET 21 1HE MET 21 -5.653 -1.566 3.065 162 HE3 MET 21 2HE MET 21 -5.336 -3.054 2.172 163 H THR 22 H THR 22 -3.389 2.642 6.442 164 HA THR 22 HA THR 22 -6.046 2.952 7.437 165 HB THR 22 HB THR 22 -3.424 4.001 8.618 166 HG1 THR 22 HG1 THR 22 -3.509 1.723 8.400 167 HG21 THR 22 3HG2 THR 22 -4.622 4.049 10.788 168 HG22 THR 22 1HG2 THR 22 -6.131 3.601 9.976 169 HG23 THR 22 2HG2 THR 22 -5.371 5.157 9.643 170 H GLU 23 H GLU 23 -3.687 5.255 6.079 171 HA GLU 23 HA GLU 23 -5.104 7.672 6.523 172 HB2 GLU 23 2HB GLU 23 -2.800 7.811 5.852 173 HB3 GLU 23 1HB GLU 23 -3.080 6.868 4.392 174 HG2 GLU 23 2HG GLU 23 -4.387 8.723 3.435 175 HG3 GLU 23 1HG GLU 23 -4.171 9.662 4.909 176 H LEU 24 H LEU 24 -5.061 5.412 3.803 177 HA LEU 24 HA LEU 24 -7.085 6.742 2.251 178 HB2 LEU 24 2HB LEU 24 -5.868 3.962 1.994 179 HB3 LEU 24 1HB LEU 24 -6.836 4.763 0.765 180 HG LEU 24 HG LEU 24 -4.145 5.790 1.764 181 HD11 LEU 24 1HD1 LEU 24 -4.728 4.318 -0.820 182 HD12 LEU 24 2HD1 LEU 24 -3.836 3.686 0.568 183 HD13 LEU 24 3HD1 LEU 24 -3.182 5.038 -0.352 184 HD21 LEU 24 3HD2 LEU 24 -4.209 7.287 -0.183 185 HD22 LEU 24 1HD2 LEU 24 -5.532 7.599 0.940 186 HD23 LEU 24 2HD2 LEU 24 -5.836 6.727 -0.563 187 H ASP 25 H ASP 25 -7.205 4.750 4.966 188 HA ASP 25 HA ASP 25 -8.815 3.877 6.235 189 HB2 ASP 25 2HB ASP 25 -9.819 6.174 5.783 190 HB3 ASP 25 1HB ASP 25 -10.789 5.447 4.514 191 H CYS 26 H CYS 26 -7.880 2.146 4.661 192 HA CYS 26 HA CYS 26 -10.055 0.536 3.468 193 HB2 CYS 26 2HB CYS 26 -7.052 0.325 2.979 194 HB3 CYS 26 1HB CYS 26 -8.332 -0.464 2.060 195 HG CYS 26 HG CYS 26 -8.983 2.695 1.916 196 H THR 27 H THR 27 -9.399 0.692 6.359 197 HA THR 27 HA THR 27 -8.166 -1.907 6.978 198 HB THR 27 HB THR 27 -8.297 -1.174 9.345 199 HG1 THR 27 HG1 THR 27 -10.058 0.113 9.465 200 HG21 THR 27 3HG2 THR 27 -7.124 0.971 7.529 201 HG22 THR 27 1HG2 THR 27 -6.297 -0.503 8.040 202 HG23 THR 27 2HG2 THR 27 -6.717 0.733 9.229 203 H ASP 28 H ASP 28 -11.258 -0.546 6.527 204 HA ASP 28 HA ASP 28 -12.809 -2.184 8.333 205 HB2 ASP 28 2HB ASP 28 -14.760 -1.222 7.213 206 HB3 ASP 28 1HB ASP 28 -13.584 0.052 7.504 207 H GLY 29 H GLY 29 -14.691 -3.535 7.330 208 HA2 GLY 29 2HA GLY 29 -15.479 -5.353 6.185 209 HA3 GLY 29 1HA GLY 29 -14.813 -4.549 4.770 210 H HIS 30 H HIS 30 -13.440 -5.708 3.669 211 HA HIS 30 HA HIS 30 -11.240 -7.153 4.923 212 HB2 HIS 30 2HB HIS 30 -13.108 -8.451 2.881 213 HB3 HIS 30 1HB HIS 30 -11.480 -9.041 3.183 214 HD1 HIS 30 HD1 HIS 30 -11.068 -10.275 5.423 215 HD2 HIS 30 HD2 HIS 30 -15.016 -9.138 4.843 216 HE1 HIS 30 HE1 HIS 30 -12.386 -11.543 7.125 217 HE2 HIS 30 HE2 HIS 30 -14.718 -10.657 6.908 218 H TYR 31 H TYR 31 -9.692 -5.756 4.137 219 HA TYR 31 HA TYR 31 -9.399 -5.601 1.192 220 HB2 TYR 31 2HB TYR 31 -8.960 -3.241 3.093 221 HB3 TYR 31 1HB TYR 31 -8.556 -3.247 1.376 222 HD1 TYR 31 HD1 TYR 31 -10.407 -3.315 -0.342 223 HD2 TYR 31 HD2 TYR 31 -11.245 -2.900 3.820 224 HE1 TYR 31 HE1 TYR 31 -12.706 -2.615 -0.864 225 HE2 TYR 31 HE2 TYR 31 -13.538 -2.205 3.296 226 HH TYR 31 HH TYR 31 -14.838 -1.320 1.508 227 H ALA 32 H ALA 32 -7.437 -6.002 0.474 228 HA ALA 32 HA ALA 32 -5.150 -6.312 2.335 229 HB1 ALA 32 3HB ALA 32 -5.776 -7.891 -0.199 230 HB2 ALA 32 1HB ALA 32 -5.916 -8.484 1.458 231 HB3 ALA 32 2HB ALA 32 -4.330 -8.077 0.799 232 H VAL 33 H VAL 33 -3.089 -6.424 0.674 233 HA VAL 33 HA VAL 33 -3.216 -4.261 -1.314 234 HB VAL 33 HB VAL 33 -2.679 -3.146 0.823 235 HG11 VAL 33 1HG1 VAL 33 -0.282 -4.988 0.992 236 HG12 VAL 33 2HG1 VAL 33 -1.725 -5.060 2.006 237 HG13 VAL 33 3HG1 VAL 33 -0.661 -3.661 2.091 238 HG21 VAL 33 3HG2 VAL 33 -0.255 -3.246 -1.012 239 HG22 VAL 33 1HG2 VAL 33 -0.586 -1.994 0.188 240 HG23 VAL 33 2HG2 VAL 33 -1.661 -2.197 -1.195 241 H ALA 34 H ALA 34 -1.410 -4.258 -2.742 242 HA ALA 34 HA ALA 34 0.427 -6.566 -2.642 243 HB1 ALA 34 3HB ALA 34 0.161 -6.843 -5.073 244 HB2 ALA 34 1HB ALA 34 -1.062 -5.568 -5.107 245 HB3 ALA 34 2HB ALA 34 -1.372 -7.077 -4.241 246 H LEU 35 H LEU 35 2.247 -5.514 -2.130 247 HA LEU 35 HA LEU 35 2.935 -2.883 -3.234 248 HB2 LEU 35 2HB LEU 35 3.386 -3.393 -0.841 249 HB3 LEU 35 1HB LEU 35 4.417 -4.738 -1.310 250 HG LEU 35 HG LEU 35 5.954 -3.035 -2.443 251 HD11 LEU 35 1HD1 LEU 35 4.267 -1.022 -0.943 252 HD12 LEU 35 2HD1 LEU 35 4.388 -1.192 -2.694 253 HD13 LEU 35 3HD1 LEU 35 5.796 -0.687 -1.762 254 HD21 LEU 35 3HD2 LEU 35 5.600 -2.724 0.551 255 HD22 LEU 35 1HD2 LEU 35 7.061 -2.368 -0.376 256 HD23 LEU 35 2HD2 LEU 35 6.480 -4.026 -0.254 257 H ASN 36 H ASN 36 3.971 -2.740 -5.140 258 HA ASN 36 HA ASN 36 4.807 -3.326 -7.160 259 HB2 ASN 36 2HB ASN 36 6.762 -4.875 -5.389 260 HB3 ASN 36 1HB ASN 36 7.000 -4.610 -7.117 261 HD21 ASN 36 1HD2 ASN 36 8.590 -3.676 -4.762 262 HD22 ASN 36 2HD2 ASN 36 8.682 -1.961 -4.957 263 H TYR 37 H TYR 37 2.575 -4.749 -6.313 264 HA TYR 37 HA TYR 37 1.149 -6.320 -7.010 265 HB2 TYR 37 2HB TYR 37 3.347 -7.364 -8.847 266 HB3 TYR 37 1HB TYR 37 1.649 -7.830 -8.915 267 HD1 TYR 37 HD2 TYR 37 -0.063 -5.819 -9.179 268 HD2 TYR 37 HD1 TYR 37 4.066 -5.591 -10.260 269 HE1 TYR 37 HE2 TYR 37 -0.534 -3.889 -10.616 270 HE2 TYR 37 HE1 TYR 37 3.589 -3.649 -11.690 271 HH TYR 37 HH TYR 37 0.685 -1.937 -11.539 272 H ASP 38 H ASP 38 3.800 -6.996 -5.195 273 HA ASP 38 HA ASP 38 3.110 -9.804 -4.656 274 HB2 ASP 38 2HB ASP 38 5.503 -9.286 -4.798 275 HB3 ASP 38 1HB ASP 38 5.339 -8.004 -3.602 276 H VAL 39 H VAL 39 1.735 -10.298 -3.006 277 HA VAL 39 HA VAL 39 0.257 -8.202 -1.771 278 HB VAL 39 HB VAL 39 0.100 -11.214 -1.273 279 HG11 VAL 39 1HG1 VAL 39 -2.189 -10.789 -0.455 280 HG12 VAL 39 2HG1 VAL 39 -1.953 -9.054 -0.668 281 HG13 VAL 39 3HG1 VAL 39 -0.997 -9.932 0.526 282 HG21 VAL 39 3HG2 VAL 39 -1.760 -11.195 -2.907 283 HG22 VAL 39 1HG2 VAL 39 -0.241 -10.682 -3.645 284 HG23 VAL 39 2HG2 VAL 39 -1.467 -9.483 -3.222 285 H VAL 40 H VAL 40 0.410 -7.330 0.233 286 HA VAL 40 HA VAL 40 2.321 -8.452 2.197 287 HB VAL 40 HB VAL 40 0.921 -5.734 2.300 288 HG11 VAL 40 1HG1 VAL 40 2.646 -5.130 3.943 289 HG12 VAL 40 2HG1 VAL 40 3.344 -6.745 3.830 290 HG13 VAL 40 3HG1 VAL 40 1.721 -6.532 4.486 291 HG21 VAL 40 3HG2 VAL 40 3.710 -6.315 1.256 292 HG22 VAL 40 1HG2 VAL 40 2.994 -4.715 1.479 293 HG23 VAL 40 2HG2 VAL 40 2.319 -5.826 0.285 294 HA PRO 41 HA PRO 41 -1.394 -9.842 4.582 295 HB2 PRO 41 2HB PRO 41 0.625 -10.405 6.720 296 HB3 PRO 41 1HB PRO 41 -0.517 -11.515 5.933 297 HG2 PRO 41 2HG PRO 41 2.133 -11.603 5.468 298 HG3 PRO 41 1HG PRO 41 0.938 -12.027 4.218 299 HD2 PRO 41 2HD PRO 41 2.545 -9.501 4.535 300 HD3 PRO 41 1HD PRO 41 2.087 -10.370 3.053 301 H ARG 42 H ARG 42 -2.439 -9.055 6.525 302 HA ARG 42 HA ARG 42 -2.194 -6.268 6.843 303 HB2 ARG 42 2HB ARG 42 -4.343 -7.474 7.041 304 HB3 ARG 42 1HB ARG 42 -3.790 -8.222 8.540 305 HG2 ARG 42 2HG ARG 42 -3.598 -5.935 9.549 306 HG3 ARG 42 1HG ARG 42 -4.278 -5.258 8.063 307 HD2 ARG 42 2HD ARG 42 -6.016 -5.457 9.719 308 HD3 ARG 42 1HD ARG 42 -6.331 -6.621 8.431 309 HE ARG 42 HE ARG 42 -4.979 -8.093 10.253 310 HH11 ARG 42 1HH1 ARG 42 -7.846 -6.041 10.538 311 HH12 ARG 42 2HH1 ARG 42 -8.516 -6.980 11.843 312 HH21 ARG 42 1HH2 ARG 42 -5.862 -9.286 11.963 313 HH22 ARG 42 2HH2 ARG 42 -7.389 -8.814 12.643 314 H GLY 43 H GLY 43 -1.439 -8.938 9.060 315 HA2 GLY 43 2HA GLY 43 -0.411 -7.397 11.216 316 HA3 GLY 43 1HA GLY 43 -0.089 -9.100 10.904 317 H LYS 44 H LYS 44 0.857 -7.765 8.117 318 HA LYS 44 HA LYS 44 3.619 -7.213 8.978 319 HB2 LYS 44 2HB LYS 44 2.500 -8.349 6.383 320 HB3 LYS 44 1HB LYS 44 4.191 -7.927 6.623 321 HG2 LYS 44 2HG LYS 44 2.672 -10.025 8.193 322 HG3 LYS 44 1HG LYS 44 3.805 -10.339 6.877 323 HD2 LYS 44 2HD LYS 44 5.611 -9.288 8.198 324 HD3 LYS 44 1HD LYS 44 4.477 -8.999 9.514 325 HE2 LYS 44 2HE LYS 44 4.183 -11.441 9.770 326 HE3 LYS 44 1HE LYS 44 5.354 -11.709 8.469 327 HZ1 LYS 44 3HZ LYS 44 7.048 -10.640 9.781 328 HZ2 LYS 44 1HZ LYS 44 6.340 -11.865 10.705 329 HZ3 LYS 44 2HZ LYS 44 5.941 -10.246 10.995 330 H TRP 45 H TRP 45 0.850 -5.636 7.661 331 HA TRP 45 HA TRP 45 1.850 -3.899 5.715 332 HB2 TRP 45 2HB TRP 45 -0.248 -3.292 7.845 333 HB3 TRP 45 1HB TRP 45 0.125 -2.189 6.528 334 HD1 TRP 45 HD1 TRP 45 0.202 -5.254 4.725 335 HE1 TRP 45 HE1 TRP 45 -2.084 -5.911 3.765 336 HE3 TRP 45 HE3 TRP 45 -2.759 -2.129 7.485 337 HZ2 TRP 45 HZ2 TRP 45 -4.789 -5.173 4.098 338 HZ3 TRP 45 HZ3 TRP 45 -5.192 -2.154 7.092 339 HH2 TRP 45 HH2 TRP 45 -6.183 -3.645 5.430 340 H ASP 46 H ASP 46 2.054 -3.616 9.222 341 HA ASP 46 HA ASP 46 3.301 -1.044 9.326 342 HB2 ASP 46 2HB ASP 46 3.557 -1.461 11.705 343 HB3 ASP 46 1HB ASP 46 1.979 -2.046 11.207 344 H GLU 47 H GLU 47 4.498 -4.388 9.423 345 HA GLU 47 HA GLU 47 7.266 -3.764 9.835 346 HB2 GLU 47 2HB GLU 47 5.880 -6.308 8.904 347 HB3 GLU 47 1HB GLU 47 7.606 -6.210 9.239 348 HG2 GLU 47 2HG GLU 47 7.066 -5.584 11.606 349 HG3 GLU 47 1HG GLU 47 5.358 -5.809 11.239 350 H THR 48 H THR 48 5.340 -3.496 7.061 351 HA THR 48 HA THR 48 7.577 -4.049 5.213 352 HB THR 48 HB THR 48 4.603 -3.786 4.600 353 HG1 THR 48 HG1 THR 48 5.452 -5.683 5.858 354 HG21 THR 48 3HG2 THR 48 6.893 -4.773 2.850 355 HG22 THR 48 1HG2 THR 48 6.054 -3.233 2.650 356 HG23 THR 48 2HG2 THR 48 5.185 -4.748 2.407 357 HA PRO 49 HA PRO 49 7.643 0.513 4.844 358 HB2 PRO 49 2HB PRO 49 10.078 0.723 3.635 359 HB3 PRO 49 1HB PRO 49 9.923 0.349 5.365 360 HG2 PRO 49 2HG PRO 49 10.437 -1.525 3.080 361 HG3 PRO 49 1HG PRO 49 11.214 -1.462 4.679 362 HD2 PRO 49 2HD PRO 49 9.194 -3.223 4.068 363 HD3 PRO 49 1HD PRO 49 9.493 -2.617 5.710 364 H VAL 50 H VAL 50 7.512 1.995 3.092 365 HA VAL 50 HA VAL 50 7.129 0.918 0.355 366 HB VAL 50 HB VAL 50 5.711 3.329 1.646 367 HG11 VAL 50 1HG1 VAL 50 5.396 2.175 -1.151 368 HG12 VAL 50 2HG1 VAL 50 6.135 3.723 -0.738 369 HG13 VAL 50 3HG1 VAL 50 4.415 3.465 -0.452 370 HG21 VAL 50 3HG2 VAL 50 3.623 2.020 1.408 371 HG22 VAL 50 1HG2 VAL 50 4.777 1.217 2.476 372 HG23 VAL 50 2HG2 VAL 50 4.554 0.636 0.824 373 H THR 51 H THR 51 8.238 1.977 -1.227 374 HA THR 51 HA THR 51 9.798 4.418 -0.609 375 HB THR 51 HB THR 51 11.610 3.559 -2.120 376 HG1 THR 51 HG1 THR 51 9.792 1.493 -2.431 377 HG21 THR 51 3HG2 THR 51 11.877 3.251 0.314 378 HG22 THR 51 1HG2 THR 51 12.591 1.910 -0.582 379 HG23 THR 51 2HG2 THR 51 11.028 1.705 0.212 380 H ALA 52 H ALA 52 10.450 5.535 -2.670 381 HA ALA 52 HA ALA 52 8.157 6.323 -4.083 382 HB1 ALA 52 3HB ALA 52 10.058 7.819 -3.632 383 HB2 ALA 52 1HB ALA 52 9.662 7.799 -5.352 384 HB3 ALA 52 2HB ALA 52 11.062 6.902 -4.755 385 H GLY 53 H GLY 53 7.241 5.662 -5.916 386 HA2 GLY 53 2HA GLY 53 7.136 4.952 -8.130 387 HA3 GLY 53 1HA GLY 53 8.760 4.302 -8.019 388 H ASP 54 H ASP 54 7.094 3.166 -5.327 389 HA ASP 54 HA ASP 54 6.761 0.523 -6.394 390 HB2 ASP 54 2HB ASP 54 5.957 1.734 -3.719 391 HB3 ASP 54 1HB ASP 54 5.668 0.045 -4.121 392 H GLU 55 H GLU 55 4.894 -0.657 -6.813 393 HA GLU 55 HA GLU 55 2.412 0.850 -7.298 394 HB2 GLU 55 2HB GLU 55 2.965 -2.076 -7.991 395 HB3 GLU 55 1HB GLU 55 1.645 -1.070 -8.575 396 HG2 GLU 55 2HG GLU 55 3.106 -1.194 -10.407 397 HG3 GLU 55 1HG GLU 55 3.455 0.379 -9.693 398 H ILE 56 H ILE 56 1.660 1.126 -5.153 399 HA ILE 56 HA ILE 56 1.045 -1.171 -3.461 400 HB ILE 56 HB ILE 56 0.366 1.814 -3.176 401 HG12 ILE 56 2HG1 ILE 56 1.932 1.623 -1.132 402 HG13 ILE 56 1HG1 ILE 56 2.445 0.073 -1.785 403 HG21 ILE 56 1HG2 ILE 56 -1.405 0.467 -2.112 404 HG22 ILE 56 2HG2 ILE 56 -0.464 1.347 -0.912 405 HG23 ILE 56 3HG2 ILE 56 -0.193 -0.378 -1.148 406 HD11 ILE 56 3HD1 ILE 56 4.004 1.825 -2.349 407 HD12 ILE 56 1HD1 ILE 56 2.725 2.756 -3.126 408 HD13 ILE 56 2HD1 ILE 56 3.233 1.209 -3.808 409 H GLU 57 H GLU 57 -0.352 -2.362 -4.683 410 HA GLU 57 HA GLU 57 -2.819 -1.196 -5.776 411 HB2 GLU 57 2HB GLU 57 -1.523 -2.705 -7.232 412 HB3 GLU 57 1HB GLU 57 -1.545 -3.970 -6.002 413 HG2 GLU 57 2HG GLU 57 -4.048 -4.077 -6.237 414 HG3 GLU 57 1HG GLU 57 -3.936 -2.920 -7.565 415 H ILE 58 H ILE 58 -4.221 -0.878 -4.056 416 HA ILE 58 HA ILE 58 -4.368 -2.679 -1.816 417 HB ILE 58 HB ILE 58 -6.136 -0.338 -2.664 418 HG12 ILE 58 2HG1 ILE 58 -4.059 -0.608 -0.441 419 HG13 ILE 58 1HG1 ILE 58 -3.839 0.272 -1.949 420 HG21 ILE 58 1HG2 ILE 58 -7.217 -0.458 -0.433 421 HG22 ILE 58 2HG2 ILE 58 -6.337 -1.946 -0.091 422 HG23 ILE 58 3HG2 ILE 58 -7.535 -1.913 -1.384 423 HD11 ILE 58 3HD1 ILE 58 -5.586 1.838 -1.281 424 HD12 ILE 58 1HD1 ILE 58 -4.257 1.774 -0.129 425 HD13 ILE 58 2HD1 ILE 58 -5.779 0.967 0.244 426 H LEU 59 H LEU 59 -4.996 -4.639 -2.313 427 HA LEU 59 HA LEU 59 -6.872 -5.374 -4.313 428 HB2 LEU 59 2HB LEU 59 -5.533 -6.839 -2.009 429 HB3 LEU 59 1HB LEU 59 -6.754 -7.639 -2.987 430 HG LEU 59 HG LEU 59 -4.223 -6.426 -4.169 431 HD11 LEU 59 1HD1 LEU 59 -3.606 -8.221 -2.618 432 HD12 LEU 59 2HD1 LEU 59 -3.311 -8.684 -4.288 433 HD13 LEU 59 3HD1 LEU 59 -4.715 -9.329 -3.431 434 HD21 LEU 59 3HD2 LEU 59 -6.032 -6.632 -5.773 435 HD22 LEU 59 1HD2 LEU 59 -6.309 -8.317 -5.310 436 HD23 LEU 59 2HD2 LEU 59 -4.805 -7.846 -6.118 437 H THR 60 H THR 60 -8.992 -5.501 -4.172 438 HA THR 60 HA THR 60 -10.378 -5.213 -1.576 439 HB THR 60 HB THR 60 -12.291 -4.360 -2.954 440 HG1 THR 60 HG1 THR 60 -11.598 -3.778 -5.227 441 HG21 THR 60 3HG2 THR 60 -11.331 -2.181 -3.618 442 HG22 THR 60 1HG2 THR 60 -9.702 -2.865 -3.553 443 HG23 THR 60 2HG2 THR 60 -10.654 -2.704 -2.078 444 HA PRO 61 HA PRO 61 -10.771 -9.680 -2.914 445 HB2 PRO 61 2HB PRO 61 -11.348 -10.039 0.017 446 HB3 PRO 61 1HB PRO 61 -10.181 -10.891 -1.022 447 HG2 PRO 61 2HG PRO 61 -9.342 -9.112 0.782 448 HG3 PRO 61 1HG PRO 61 -8.556 -9.233 -0.813 449 HD2 PRO 61 2HD PRO 61 -10.585 -7.224 0.145 450 HD3 PRO 61 1HD PRO 61 -9.106 -6.971 -0.800 451 H ARG 62 H ARG 62 -12.643 -10.074 -3.892 452 HA ARG 62 HA ARG 62 -15.202 -9.071 -3.188 453 HB2 ARG 62 2HB ARG 62 -14.361 -11.305 -5.088 454 HB3 ARG 62 1HB ARG 62 -15.996 -10.656 -4.994 455 HG2 ARG 62 2HG ARG 62 -15.318 -8.528 -5.839 456 HG3 ARG 62 1HG ARG 62 -13.605 -8.902 -5.621 457 HD2 ARG 62 2HD ARG 62 -14.269 -9.009 -7.992 458 HD3 ARG 62 1HD ARG 62 -13.720 -10.580 -7.404 459 HE ARG 62 HE ARG 62 -16.561 -10.306 -7.207 460 HH11 ARG 62 1HH1 ARG 62 -13.991 -11.040 -9.518 461 HH12 ARG 62 2HH1 ARG 62 -15.044 -11.954 -10.561 462 HH21 ARG 62 1HH2 ARG 62 -17.903 -11.496 -8.590 463 HH22 ARG 62 2HH2 ARG 62 -17.251 -12.213 -10.037 464 H GLN 63 H GLN 63 -16.084 -9.675 -1.271 465 HA GLN 63 HA GLN 63 -16.713 -10.816 0.564 466 HB2 GLN 63 2HB GLN 63 -16.937 -13.262 -1.257 467 HB3 GLN 63 1HB GLN 63 -17.777 -13.004 0.270 468 HG2 GLN 63 2HG GLN 63 -19.075 -11.187 -0.707 469 HG3 GLN 63 1HG GLN 63 -18.183 -11.322 -2.214 470 HE21 GLN 63 1HE2 GLN 63 -18.250 -14.286 -2.194 471 HE22 GLN 63 2HE2 GLN 63 -19.868 -14.701 -2.617 472 H GLY 64 H GLY 64 -14.589 -10.503 1.425 473 HA2 GLY 64 2HA GLY 64 -12.377 -12.254 1.072 474 HA3 GLY 64 1HA GLY 64 -12.561 -11.046 2.333 475 H GLY 65 H GLY 65 -12.895 -14.378 1.495 476 HA2 GLY 65 2HA GLY 65 -13.387 -16.304 2.625 477 HA3 GLY 65 1HA GLY 65 -12.814 -15.469 4.063 478 H LEU 66 H LEU 66 -14.311 -14.552 5.486 479 HA LEU 66 HA LEU 66 -16.951 -15.583 5.602 480 HB2 LEU 66 2HB LEU 66 -15.682 -15.017 7.644 481 HB3 LEU 66 1HB LEU 66 -15.641 -13.325 7.176 482 HG LEU 66 HG LEU 66 -18.137 -13.209 7.441 483 HD11 LEU 66 1HD1 LEU 66 -17.924 -16.034 8.515 484 HD12 LEU 66 2HD1 LEU 66 -18.725 -15.537 7.022 485 HD13 LEU 66 3HD1 LEU 66 -19.358 -15.005 8.576 486 HD21 LEU 66 3HD2 LEU 66 -18.166 -13.238 9.899 487 HD22 LEU 66 1HD2 LEU 66 -16.681 -12.516 9.281 488 HD23 LEU 66 2HD2 LEU 66 -16.661 -14.162 9.915 489 H GLU 67 H GLU 67 -18.096 -15.002 3.850 490 HA GLU 67 HA GLU 67 -18.681 -12.482 2.787 491 HB2 GLU 67 2HB GLU 67 -19.353 -14.865 1.985 492 HB3 GLU 67 1HB GLU 67 -20.706 -14.753 3.089 493 HG2 GLU 67 2HG GLU 67 -20.210 -12.838 0.800 494 HG3 GLU 67 1HG GLU 67 -21.219 -14.265 0.671 495 H HIS 68 H HIS 68 -20.360 -10.969 3.285 496 HA HIS 68 HA HIS 68 -21.631 -11.099 5.914 497 HB2 HIS 68 2HB HIS 68 -19.375 -10.158 6.383 498 HB3 HIS 68 1HB HIS 68 -19.648 -8.883 5.195 499 HD1 HIS 68 HD1 HIS 68 -20.727 -6.805 6.040 500 HD2 HIS 68 HD2 HIS 68 -21.210 -9.969 8.694 501 HE1 HIS 68 HE1 HIS 68 -21.781 -5.814 8.082 502 HE2 HIS 68 HE2 HIS 68 -22.265 -7.775 9.566 503 H HIS 69 H HIS 69 -23.542 -11.098 4.794 504 HA HIS 69 HA HIS 69 -24.390 -9.013 3.000 505 HB2 HIS 69 2HB HIS 69 -25.406 -11.300 2.969 506 HB3 HIS 69 1HB HIS 69 -26.025 -11.059 4.598 507 HD1 HIS 69 HD1 HIS 69 -26.738 -10.245 1.024 508 HD2 HIS 69 HD2 HIS 69 -28.288 -9.305 4.765 509 HE1 HIS 69 HE1 HIS 69 -28.992 -9.232 0.593 510 HE2 HIS 69 HE2 HIS 69 -29.813 -8.497 2.843 511 H HIS 70 H HIS 70 -25.136 -7.060 3.574 512 HA HIS 70 HA HIS 70 -25.107 -5.995 6.176 513 HB2 HIS 70 2HB HIS 70 -24.820 -4.615 4.131 514 HB3 HIS 70 1HB HIS 70 -26.482 -4.937 3.649 515 HD1 HIS 70 HD1 HIS 70 -28.348 -3.618 4.890 516 HD2 HIS 70 HD2 HIS 70 -24.509 -2.648 6.155 517 HE1 HIS 70 HE1 HIS 70 -28.593 -1.520 6.233 518 HE2 HIS 70 HE2 HIS 70 -26.277 -0.987 7.036 519 H HIS 71 H HIS 71 -26.432 -6.745 7.724 520 HA HIS 71 HA HIS 71 -29.166 -6.115 7.882 521 HB2 HIS 71 2HB HIS 71 -29.460 -8.169 6.486 522 HB3 HIS 71 1HB HIS 71 -28.576 -9.119 7.677 523 HD1 HIS 71 HD1 HIS 71 -29.885 -9.942 9.718 524 HD2 HIS 71 HD2 HIS 71 -32.089 -7.324 7.365 525 HE1 HIS 71 HE1 HIS 71 -32.211 -9.997 10.650 526 HE2 HIS 71 HE2 HIS 71 -33.555 -8.536 9.115 527 H HIS 72 H HIS 72 -29.548 -5.785 10.017 528 HA HIS 72 HA HIS 72 -28.219 -7.440 12.072 529 HB2 HIS 72 2HB HIS 72 -28.456 -4.399 12.141 530 HB3 HIS 72 1HB HIS 72 -28.009 -5.378 13.527 531 HD1 HIS 72 HD1 HIS 72 -26.413 -3.186 11.511 532 HD2 HIS 72 HD2 HIS 72 -25.632 -7.189 12.301 533 HE1 HIS 72 HE1 HIS 72 -23.970 -3.495 11.053 534 HE2 HIS 72 HE2 HIS 72 -23.508 -5.907 11.587 535 H HIS 73 H HIS 73 -29.338 -6.562 14.323 536 HA HIS 73 HA HIS 73 -32.143 -7.348 14.001 537 HB2 HIS 73 2HB HIS 73 -30.461 -7.160 16.548 538 HB3 HIS 73 1HB HIS 73 -32.090 -7.824 16.432 539 HD1 HIS 73 HD1 HIS 73 -28.574 -8.740 16.150 540 HD2 HIS 73 HD2 HIS 73 -32.202 -10.287 14.836 541 HE1 HIS 73 HE1 HIS 73 -28.096 -11.112 15.489 542 HE2 HIS 73 HE2 HIS 73 -30.296 -12.031 14.697 Start of MODEL 10 1 H1 MET 1 1H MET 1 7.468 11.183 0.262 2 H2 MET 1 2H MET 1 5.945 10.494 0.002 3 H3 MET 1 3H MET 1 6.329 11.975 -0.702 4 HA MET 1 HA MET 1 7.958 11.012 -2.089 5 HB2 MET 1 2HB MET 1 8.370 8.575 -2.127 6 HB3 MET 1 1HB MET 1 8.746 9.253 -0.551 7 HG2 MET 1 2HG MET 1 6.605 8.383 0.329 8 HG3 MET 1 1HG MET 1 6.244 7.700 -1.256 9 HE1 MET 1 3HE MET 1 9.664 7.806 0.815 10 HE2 MET 1 1HE MET 1 9.611 6.199 1.540 11 HE3 MET 1 2HE MET 1 8.414 7.410 1.996 12 H LEU 2 H LEU 2 7.292 10.611 -4.177 13 HA LEU 2 HA LEU 2 4.449 10.267 -4.722 14 HB2 LEU 2 2HB LEU 2 5.759 11.887 -6.030 15 HB3 LEU 2 1HB LEU 2 6.839 10.615 -6.575 16 HG LEU 2 HG LEU 2 4.829 9.547 -7.756 17 HD11 LEU 2 1HD1 LEU 2 2.867 10.932 -8.224 18 HD12 LEU 2 2HD1 LEU 2 3.486 12.198 -7.159 19 HD13 LEU 2 3HD1 LEU 2 3.035 10.627 -6.495 20 HD21 LEU 2 3HD2 LEU 2 6.515 10.830 -8.997 21 HD22 LEU 2 1HD2 LEU 2 5.614 12.320 -8.706 22 HD23 LEU 2 2HD2 LEU 2 4.913 11.034 -9.694 23 H VAL 3 H VAL 3 3.615 8.285 -4.782 24 HA VAL 3 HA VAL 3 5.193 5.957 -5.750 25 HB VAL 3 HB VAL 3 3.901 4.532 -4.198 26 HG11 VAL 3 1HG1 VAL 3 4.885 5.315 -2.069 27 HG12 VAL 3 2HG1 VAL 3 5.224 6.885 -2.792 28 HG13 VAL 3 3HG1 VAL 3 6.033 5.437 -3.400 29 HG21 VAL 3 3HG2 VAL 3 1.795 5.806 -4.089 30 HG22 VAL 3 1HG2 VAL 3 2.601 7.114 -3.220 31 HG23 VAL 3 2HG2 VAL 3 2.418 5.530 -2.463 32 H THR 4 H THR 4 3.460 4.071 -6.244 33 HA THR 4 HA THR 4 1.353 5.221 -8.000 34 HB THR 4 HB THR 4 2.962 2.659 -8.439 35 HG1 THR 4 HG1 THR 4 3.797 5.028 -8.810 36 HG21 THR 4 3HG2 THR 4 1.890 2.592 -10.659 37 HG22 THR 4 1HG2 THR 4 0.941 4.033 -10.259 38 HG23 THR 4 2HG2 THR 4 0.671 2.524 -9.388 39 H ILE 5 H ILE 5 -0.435 5.015 -6.698 40 HA ILE 5 HA ILE 5 -1.032 2.433 -5.398 41 HB ILE 5 HB ILE 5 -2.381 5.144 -5.005 42 HG12 ILE 5 2HG1 ILE 5 -0.482 3.659 -3.129 43 HG13 ILE 5 1HG1 ILE 5 -0.034 5.050 -4.112 44 HG21 ILE 5 1HG2 ILE 5 -3.948 3.274 -4.582 45 HG22 ILE 5 2HG2 ILE 5 -3.546 4.093 -3.076 46 HG23 ILE 5 3HG2 ILE 5 -2.796 2.544 -3.461 47 HD11 ILE 5 3HD1 ILE 5 -1.633 6.435 -2.862 48 HD12 ILE 5 1HD1 ILE 5 -0.428 5.691 -1.811 49 HD13 ILE 5 2HD1 ILE 5 -2.061 5.035 -1.876 50 H ASN 6 H ASN 6 -2.404 1.108 -6.439 51 HA ASN 6 HA ASN 6 -3.971 0.232 -7.813 52 HB2 ASN 6 2HB ASN 6 -5.312 2.908 -7.234 53 HB3 ASN 6 1HB ASN 6 -6.124 1.611 -8.111 54 HD21 ASN 6 1HD2 ASN 6 -6.707 2.885 -5.480 55 HD22 ASN 6 2HD2 ASN 6 -6.818 1.572 -4.364 56 H GLY 7 H GLY 7 -1.737 1.635 -9.054 57 HA2 GLY 7 2HA GLY 7 -1.077 1.728 -11.285 58 HA3 GLY 7 1HA GLY 7 -2.759 1.756 -11.791 59 H GLU 8 H GLU 8 -2.557 4.074 -9.458 60 HA GLU 8 HA GLU 8 -2.112 6.281 -11.386 61 HB2 GLU 8 2HB GLU 8 -4.359 6.228 -10.340 62 HB3 GLU 8 1HB GLU 8 -3.630 6.196 -8.740 63 HG2 GLU 8 2HG GLU 8 -2.592 8.462 -9.320 64 HG3 GLU 8 1HG GLU 8 -3.656 8.483 -10.721 65 H GLN 9 H GLN 9 -0.462 7.730 -11.006 66 HA GLN 9 HA GLN 9 1.380 7.353 -8.797 67 HB2 GLN 9 2HB GLN 9 1.269 9.494 -10.962 68 HB3 GLN 9 1HB GLN 9 2.581 9.314 -9.799 69 HG2 GLN 9 2HG GLN 9 3.065 7.065 -10.717 70 HG3 GLN 9 1HG GLN 9 1.769 7.280 -11.889 71 HE21 GLN 9 1HE2 GLN 9 4.017 9.867 -10.969 72 HE22 GLN 9 2HE2 GLN 9 4.836 9.928 -12.486 73 H ARG 10 H ARG 10 0.929 8.103 -6.838 74 HA ARG 10 HA ARG 10 -0.435 10.688 -6.410 75 HB2 ARG 10 2HB ARG 10 -2.092 8.871 -6.072 76 HB3 ARG 10 1HB ARG 10 -1.013 8.087 -4.924 77 HG2 ARG 10 2HG ARG 10 -1.202 10.064 -3.420 78 HG3 ARG 10 1HG ARG 10 -2.317 10.811 -4.566 79 HD2 ARG 10 2HD ARG 10 -2.774 8.196 -3.109 80 HD3 ARG 10 1HD ARG 10 -3.502 9.749 -2.687 81 HE ARG 10 HE ARG 10 -4.020 8.986 -5.411 82 HH11 ARG 10 2HH1 ARG 10 -5.139 8.479 -2.119 83 HH12 ARG 10 1HH1 ARG 10 -6.743 8.034 -2.607 84 HH21 ARG 10 2HH2 ARG 10 -6.114 8.423 -6.035 85 HH22 ARG 10 1HH2 ARG 10 -7.298 8.002 -4.834 86 H GLU 11 H GLU 11 0.520 11.937 -4.834 87 HA GLU 11 HA GLU 11 3.002 11.042 -3.606 88 HB2 GLU 11 2HB GLU 11 3.218 13.331 -2.766 89 HB3 GLU 11 1HB GLU 11 2.826 13.349 -4.480 90 HG2 GLU 11 2HG GLU 11 0.516 13.970 -4.000 91 HG3 GLU 11 1HG GLU 11 0.803 13.815 -2.268 92 H VAL 12 H VAL 12 3.227 10.351 -1.533 93 HA VAL 12 HA VAL 12 1.032 10.657 0.413 94 HB VAL 12 HB VAL 12 1.264 8.337 1.177 95 HG11 VAL 12 1HG1 VAL 12 0.803 8.404 -1.829 96 HG12 VAL 12 2HG1 VAL 12 -0.400 8.757 -0.588 97 HG13 VAL 12 3HG1 VAL 12 0.268 7.132 -0.726 98 HG21 VAL 12 3HG2 VAL 12 3.640 7.920 0.684 99 HG22 VAL 12 1HG2 VAL 12 3.305 7.931 -1.050 100 HG23 VAL 12 2HG2 VAL 12 2.639 6.657 -0.029 101 H GLN 13 H GLN 13 1.684 10.453 2.626 102 HA GLN 13 HA GLN 13 4.425 11.409 3.102 103 HB2 GLN 13 2HB GLN 13 2.479 12.707 3.999 104 HB3 GLN 13 1HB GLN 13 2.033 11.342 5.009 105 HG2 GLN 13 2HG GLN 13 4.738 12.689 5.258 106 HG3 GLN 13 1HG GLN 13 3.320 13.321 6.078 107 HE21 GLN 13 1HE2 GLN 13 5.860 12.190 7.148 108 HE22 GLN 13 2HE2 GLN 13 5.376 10.925 8.221 109 H SER 14 H SER 14 2.205 8.838 4.062 110 HA SER 14 HA SER 14 3.643 7.704 6.153 111 HB2 SER 14 2HB SER 14 1.687 6.356 4.261 112 HB3 SER 14 1HB SER 14 2.198 5.718 5.828 113 HG SER 14 HG SER 14 1.119 7.308 6.847 114 H ALA 15 H ALA 15 5.534 6.726 6.175 115 HA ALA 15 HA ALA 15 6.713 5.424 3.836 116 HB1 ALA 15 3HB ALA 15 7.850 5.911 6.615 117 HB2 ALA 15 1HB ALA 15 8.123 6.915 5.188 118 HB3 ALA 15 2HB ALA 15 8.744 5.265 5.234 119 H SER 16 H SER 16 4.600 4.496 6.195 120 HA SER 16 HA SER 16 5.418 1.646 6.111 121 HB2 SER 16 2HB SER 16 5.338 2.488 8.430 122 HB3 SER 16 1HB SER 16 3.706 3.109 8.180 123 HG SER 16 HG SER 16 4.602 0.505 8.569 124 H VAL 17 H VAL 17 3.911 0.185 5.364 125 HA VAL 17 HA VAL 17 1.792 1.114 3.681 126 HB VAL 17 HB VAL 17 2.680 -1.680 4.518 127 HG11 VAL 17 1HG1 VAL 17 1.225 -2.596 2.709 128 HG12 VAL 17 2HG1 VAL 17 0.519 -0.995 2.480 129 HG13 VAL 17 3HG1 VAL 17 0.282 -1.850 4.002 130 HG21 VAL 17 3HG2 VAL 17 3.535 -1.798 2.186 131 HG22 VAL 17 1HG2 VAL 17 4.250 -0.447 3.068 132 HG23 VAL 17 2HG2 VAL 17 2.967 -0.152 1.892 133 H ALA 18 H ALA 18 1.893 -0.283 6.970 134 HA ALA 18 HA ALA 18 -0.885 -0.630 7.375 135 HB1 ALA 18 3HB ALA 18 1.231 0.114 9.433 136 HB2 ALA 18 1HB ALA 18 0.777 -1.519 8.952 137 HB3 ALA 18 2HB ALA 18 -0.384 -0.501 9.803 138 H ALA 19 H ALA 19 1.234 2.108 8.188 139 HA ALA 19 HA ALA 19 -0.714 3.901 9.110 140 HB1 ALA 19 3HB ALA 19 1.693 4.194 9.527 141 HB2 ALA 19 1HB ALA 19 1.003 5.643 8.790 142 HB3 ALA 19 2HB ALA 19 1.961 4.525 7.815 143 H LEU 20 H LEU 20 0.518 3.280 5.830 144 HA LEU 20 HA LEU 20 -0.692 5.503 4.559 145 HB2 LEU 20 2HB LEU 20 1.183 4.295 3.529 146 HB3 LEU 20 1HB LEU 20 0.189 2.853 3.361 147 HG LEU 20 HG LEU 20 -1.270 4.005 1.733 148 HD11 LEU 20 1HD1 LEU 20 -1.153 6.281 2.597 149 HD12 LEU 20 2HD1 LEU 20 -0.745 6.249 0.885 150 HD13 LEU 20 3HD1 LEU 20 0.534 6.412 2.092 151 HD21 LEU 20 3HD2 LEU 20 0.296 4.235 -0.130 152 HD22 LEU 20 1HD2 LEU 20 0.686 2.829 0.858 153 HD23 LEU 20 2HD2 LEU 20 1.653 4.299 0.998 154 H MET 21 H MET 21 -1.720 2.090 4.858 155 HA MET 21 HA MET 21 -4.125 2.454 3.379 156 HB2 MET 21 2HB MET 21 -3.398 0.221 5.329 157 HB3 MET 21 1HB MET 21 -4.800 0.210 4.264 158 HG2 MET 21 2HG MET 21 -3.212 0.375 2.310 159 HG3 MET 21 1HG MET 21 -1.887 0.152 3.444 160 HE1 MET 21 3HE MET 21 -4.734 -1.512 1.397 161 HE2 MET 21 1HE MET 21 -5.481 -1.557 2.994 162 HE3 MET 21 2HE MET 21 -4.964 -3.055 2.217 163 H THR 22 H THR 22 -3.286 2.961 6.784 164 HA THR 22 HA THR 22 -5.964 3.287 7.730 165 HB THR 22 HB THR 22 -3.401 4.519 8.834 166 HG1 THR 22 HG1 THR 22 -3.077 2.452 9.219 167 HG21 THR 22 3HG2 THR 22 -5.433 5.674 9.707 168 HG22 THR 22 1HG2 THR 22 -4.638 4.725 10.966 169 HG23 THR 22 2HG2 THR 22 -6.103 4.116 10.197 170 H GLU 23 H GLU 23 -3.568 5.557 6.335 171 HA GLU 23 HA GLU 23 -5.128 7.913 6.568 172 HB2 GLU 23 2HB GLU 23 -2.916 7.267 4.578 173 HB3 GLU 23 1HB GLU 23 -3.574 8.868 4.867 174 HG2 GLU 23 2HG GLU 23 -1.996 7.180 6.821 175 HG3 GLU 23 1HG GLU 23 -1.449 8.644 6.015 176 H LEU 24 H LEU 24 -4.914 5.424 4.096 177 HA LEU 24 HA LEU 24 -6.663 6.747 2.191 178 HB2 LEU 24 2HB LEU 24 -5.442 3.961 2.260 179 HB3 LEU 24 1HB LEU 24 -6.424 4.562 0.933 180 HG LEU 24 HG LEU 24 -3.748 5.744 1.793 181 HD11 LEU 24 1HD1 LEU 24 -2.837 4.809 -0.259 182 HD12 LEU 24 2HD1 LEU 24 -4.389 4.062 -0.640 183 HD13 LEU 24 3HD1 LEU 24 -3.475 3.530 0.774 184 HD21 LEU 24 3HD2 LEU 24 -5.504 6.430 -0.588 185 HD22 LEU 24 1HD2 LEU 24 -3.894 7.083 -0.269 186 HD23 LEU 24 2HD2 LEU 24 -5.224 7.449 0.826 187 H ASP 25 H ASP 25 -7.076 4.841 4.978 188 HA ASP 25 HA ASP 25 -8.797 3.921 6.080 189 HB2 ASP 25 2HB ASP 25 -9.889 6.128 5.486 190 HB3 ASP 25 1HB ASP 25 -10.630 5.338 4.099 191 H CYS 26 H CYS 26 -7.589 2.241 4.588 192 HA CYS 26 HA CYS 26 -9.542 0.460 3.289 193 HB2 CYS 26 2HB CYS 26 -6.584 0.821 2.631 194 HB3 CYS 26 1HB CYS 26 -7.706 -0.259 1.808 195 HG CYS 26 HG CYS 26 -8.606 2.963 1.845 196 H THR 27 H THR 27 -8.919 0.487 6.120 197 HA THR 27 HA THR 27 -7.249 -1.956 6.489 198 HB THR 27 HB THR 27 -7.076 -1.171 8.908 199 HG1 THR 27 HG1 THR 27 -8.865 0.202 8.998 200 HG21 THR 27 3HG2 THR 27 -6.025 0.754 6.798 201 HG22 THR 27 1HG2 THR 27 -5.230 -0.716 7.356 202 HG23 THR 27 2HG2 THR 27 -5.438 0.642 8.460 203 H ASP 28 H ASP 28 -10.488 -1.130 6.334 204 HA ASP 28 HA ASP 28 -11.300 -2.854 8.613 205 HB2 ASP 28 2HB ASP 28 -12.695 -0.394 7.478 206 HB3 ASP 28 1HB ASP 28 -13.407 -1.454 8.685 207 H GLY 29 H GLY 29 -12.790 -1.629 5.564 208 HA2 GLY 29 2HA GLY 29 -14.741 -3.800 5.632 209 HA3 GLY 29 1HA GLY 29 -14.724 -2.422 4.549 210 H HIS 30 H HIS 30 -12.688 -5.280 5.217 211 HA HIS 30 HA HIS 30 -11.721 -6.861 3.940 212 HB2 HIS 30 2HB HIS 30 -14.092 -6.384 2.076 213 HB3 HIS 30 1HB HIS 30 -13.040 -7.796 2.040 214 HD1 HIS 30 HD1 HIS 30 -13.731 -9.719 3.490 215 HD2 HIS 30 HD2 HIS 30 -15.720 -6.220 4.492 216 HE1 HIS 30 HE1 HIS 30 -15.482 -10.394 5.151 217 HE2 HIS 30 HE2 HIS 30 -16.794 -8.292 5.598 218 H TYR 31 H TYR 31 -9.970 -5.207 3.591 219 HA TYR 31 HA TYR 31 -9.544 -4.764 0.687 220 HB2 TYR 31 2HB TYR 31 -8.680 -2.853 2.899 221 HB3 TYR 31 1HB TYR 31 -8.313 -2.674 1.186 222 HD1 TYR 31 HD1 TYR 31 -10.326 -2.422 -0.440 223 HD2 TYR 31 HD2 TYR 31 -10.661 -1.883 3.789 224 HE1 TYR 31 HE1 TYR 31 -12.400 -1.155 -0.764 225 HE2 TYR 31 HE2 TYR 31 -12.734 -0.615 3.471 226 HH TYR 31 HH TYR 31 -14.420 -0.578 0.519 227 H ALA 32 H ALA 32 -7.514 -5.142 -0.044 228 HA ALA 32 HA ALA 32 -5.409 -6.080 1.796 229 HB1 ALA 32 3HB ALA 32 -6.269 -7.461 -0.779 230 HB2 ALA 32 1HB ALA 32 -6.509 -8.071 0.857 231 HB3 ALA 32 2HB ALA 32 -4.875 -7.911 0.211 232 H VAL 33 H VAL 33 -3.348 -5.663 1.088 233 HA VAL 33 HA VAL 33 -3.048 -3.770 -1.174 234 HB VAL 33 HB VAL 33 -2.345 -2.783 0.959 235 HG11 VAL 33 1HG1 VAL 33 -0.510 -3.724 2.329 236 HG12 VAL 33 2HG1 VAL 33 -0.430 -5.127 1.265 237 HG13 VAL 33 3HG1 VAL 33 -1.876 -4.841 2.234 238 HG21 VAL 33 3HG2 VAL 33 0.084 -3.482 -0.750 239 HG22 VAL 33 1HG2 VAL 33 -0.004 -2.153 0.411 240 HG23 VAL 33 2HG2 VAL 33 -1.025 -2.137 -1.026 241 H ALA 34 H ALA 34 -1.813 -4.356 -2.845 242 HA ALA 34 HA ALA 34 -0.092 -6.754 -2.707 243 HB1 ALA 34 3HB ALA 34 -1.994 -7.063 -4.250 244 HB2 ALA 34 1HB ALA 34 -0.476 -6.978 -5.143 245 HB3 ALA 34 2HB ALA 34 -1.560 -5.583 -5.107 246 H LEU 35 H LEU 35 1.857 -5.863 -2.243 247 HA LEU 35 HA LEU 35 2.704 -3.321 -3.418 248 HB2 LEU 35 2HB LEU 35 3.171 -3.702 -1.038 249 HB3 LEU 35 1HB LEU 35 4.062 -5.167 -1.419 250 HG LEU 35 HG LEU 35 5.767 -3.789 -2.647 251 HD11 LEU 35 1HD1 LEU 35 5.789 -1.352 -2.395 252 HD12 LEU 35 2HD1 LEU 35 4.217 -1.409 -1.595 253 HD13 LEU 35 3HD1 LEU 35 4.370 -1.901 -3.284 254 HD21 LEU 35 3HD2 LEU 35 5.368 -2.947 0.242 255 HD22 LEU 35 1HD2 LEU 35 6.871 -2.848 -0.679 256 HD23 LEU 35 2HD2 LEU 35 6.172 -4.419 -0.308 257 H ASN 36 H ASN 36 3.595 -3.362 -5.332 258 HA ASN 36 HA ASN 36 4.537 -3.951 -7.288 259 HB2 ASN 36 2HB ASN 36 6.425 -5.463 -5.430 260 HB3 ASN 36 1HB ASN 36 6.767 -5.088 -7.122 261 HD21 ASN 36 1HD2 ASN 36 8.025 -4.232 -4.491 262 HD22 ASN 36 2HD2 ASN 36 8.114 -2.513 -4.607 263 H TYR 37 H TYR 37 2.308 -5.325 -6.612 264 HA TYR 37 HA TYR 37 0.936 -6.932 -7.341 265 HB2 TYR 37 2HB TYR 37 3.298 -7.803 -9.042 266 HB3 TYR 37 1HB TYR 37 1.685 -8.481 -9.200 267 HD1 TYR 37 HD1 TYR 37 1.116 -5.059 -8.552 268 HD2 TYR 37 HD2 TYR 37 2.574 -7.637 -11.644 269 HE1 TYR 37 HE1 TYR 37 0.541 -3.375 -10.217 270 HE2 TYR 37 HE2 TYR 37 1.999 -5.934 -13.321 271 HH TYR 37 HH TYR 37 1.264 -2.731 -12.509 272 H ASP 38 H ASP 38 2.868 -7.351 -5.045 273 HA ASP 38 HA ASP 38 2.267 -10.228 -4.615 274 HB2 ASP 38 2HB ASP 38 4.708 -9.949 -4.750 275 HB3 ASP 38 1HB ASP 38 4.654 -8.625 -3.589 276 H VAL 39 H VAL 39 0.651 -10.380 -3.211 277 HA VAL 39 HA VAL 39 -0.352 -8.260 -1.650 278 HB VAL 39 HB VAL 39 -0.937 -11.244 -1.382 279 HG11 VAL 39 1HG1 VAL 39 -3.074 -10.552 -0.321 280 HG12 VAL 39 2HG1 VAL 39 -2.569 -8.863 -0.385 281 HG13 VAL 39 3HG1 VAL 39 -1.686 -10.007 0.626 282 HG21 VAL 39 3HG2 VAL 39 -2.908 -10.793 -2.822 283 HG22 VAL 39 1HG2 VAL 39 -1.406 -10.410 -3.664 284 HG23 VAL 39 2HG2 VAL 39 -2.402 -9.111 -3.004 285 H VAL 40 H VAL 40 0.105 -7.580 0.329 286 HA VAL 40 HA VAL 40 2.195 -8.859 1.943 287 HB VAL 40 HB VAL 40 0.955 -6.071 2.141 288 HG11 VAL 40 1HG1 VAL 40 2.826 -5.517 3.678 289 HG12 VAL 40 2HG1 VAL 40 3.362 -7.199 3.624 290 HG13 VAL 40 3HG1 VAL 40 1.800 -6.796 4.334 291 HG21 VAL 40 3HG2 VAL 40 3.660 -6.895 1.005 292 HG22 VAL 40 1HG2 VAL 40 3.089 -5.235 1.192 293 HG23 VAL 40 2HG2 VAL 40 2.276 -6.326 0.070 294 HA PRO 41 HA PRO 41 -1.130 -10.263 4.733 295 HB2 PRO 41 2HB PRO 41 0.455 -11.248 6.763 296 HB3 PRO 41 1HB PRO 41 0.188 -12.110 5.233 297 HG2 PRO 41 2HG PRO 41 2.529 -10.405 6.039 298 HG3 PRO 41 1HG PRO 41 2.512 -11.979 5.210 299 HD2 PRO 41 2HD PRO 41 2.849 -9.648 3.857 300 HD3 PRO 41 1HD PRO 41 2.007 -11.041 3.141 301 H ARG 42 H ARG 42 -2.169 -9.489 6.497 302 HA ARG 42 HA ARG 42 -2.112 -6.853 7.189 303 HB2 ARG 42 2HB ARG 42 -4.058 -8.289 7.556 304 HB3 ARG 42 1HB ARG 42 -3.210 -9.200 8.793 305 HG2 ARG 42 2HG ARG 42 -4.811 -7.714 9.844 306 HG3 ARG 42 1HG ARG 42 -3.176 -7.184 10.244 307 HD2 ARG 42 2HD ARG 42 -4.480 -5.223 9.764 308 HD3 ARG 42 1HD ARG 42 -3.370 -5.459 8.418 309 HE ARG 42 HE ARG 42 -5.264 -6.415 7.166 310 HH11 ARG 42 1HH1 ARG 42 -5.998 -4.352 9.920 311 HH12 ARG 42 2HH1 ARG 42 -7.561 -3.900 9.325 312 HH21 ARG 42 2HH2 ARG 42 -7.290 -5.784 6.390 313 HH22 ARG 42 1HH2 ARG 42 -8.298 -4.718 7.316 314 H GLY 43 H GLY 43 -0.716 -9.484 9.140 315 HA2 GLY 43 2HA GLY 43 0.066 -7.966 11.393 316 HA3 GLY 43 1HA GLY 43 0.679 -9.549 10.931 317 H LYS 44 H LYS 44 1.519 -8.069 8.254 318 HA LYS 44 HA LYS 44 4.164 -7.211 9.268 319 HB2 LYS 44 2HB LYS 44 3.373 -8.469 6.616 320 HB3 LYS 44 1HB LYS 44 4.950 -7.735 6.892 321 HG2 LYS 44 2HG LYS 44 5.335 -9.365 8.750 322 HG3 LYS 44 1HG LYS 44 3.807 -10.151 8.329 323 HD2 LYS 44 2HD LYS 44 4.668 -10.640 6.066 324 HD3 LYS 44 1HD LYS 44 6.180 -9.813 6.444 325 HE2 LYS 44 2HE LYS 44 6.529 -12.203 6.602 326 HE3 LYS 44 1HE LYS 44 6.608 -11.521 8.225 327 HZ1 LYS 44 3HZ LYS 44 4.293 -12.952 7.033 328 HZ2 LYS 44 1HZ LYS 44 4.314 -12.250 8.575 329 HZ3 LYS 44 2HZ LYS 44 5.340 -13.546 8.220 330 H TRP 45 H TRP 45 1.326 -5.937 7.875 331 HA TRP 45 HA TRP 45 2.065 -4.129 5.927 332 HB2 TRP 45 2HB TRP 45 0.001 -3.859 8.135 333 HB3 TRP 45 1HB TRP 45 0.217 -2.578 6.955 334 HD1 TRP 45 HD1 TRP 45 0.548 -5.824 5.193 335 HE1 TRP 45 HE1 TRP 45 -1.637 -6.398 3.988 336 HE3 TRP 45 HE3 TRP 45 -2.544 -2.393 7.401 337 HZ2 TRP 45 HZ2 TRP 45 -4.304 -5.530 3.943 338 HZ3 TRP 45 HZ3 TRP 45 -4.912 -2.340 6.710 339 HH2 TRP 45 HH2 TRP 45 -5.775 -3.879 5.015 340 H ASP 46 H ASP 46 2.435 -3.707 9.406 341 HA ASP 46 HA ASP 46 3.342 -0.985 9.383 342 HB2 ASP 46 2HB ASP 46 3.856 -1.309 11.747 343 HB3 ASP 46 1HB ASP 46 2.302 -2.045 11.388 344 H GLU 47 H GLU 47 4.958 -4.129 9.442 345 HA GLU 47 HA GLU 47 7.661 -3.145 9.617 346 HB2 GLU 47 2HB GLU 47 6.598 -5.905 8.858 347 HB3 GLU 47 1HB GLU 47 8.274 -5.530 9.250 348 HG2 GLU 47 2HG GLU 47 7.613 -4.928 11.547 349 HG3 GLU 47 1HG GLU 47 5.930 -5.295 11.163 350 H THR 48 H THR 48 5.417 -3.317 7.084 351 HA THR 48 HA THR 48 7.366 -3.752 4.940 352 HB THR 48 HB THR 48 4.348 -3.313 4.779 353 HG1 THR 48 HG1 THR 48 5.405 -5.309 5.833 354 HG21 THR 48 3HG2 THR 48 6.272 -4.400 2.682 355 HG22 THR 48 1HG2 THR 48 5.564 -2.786 2.658 356 HG23 THR 48 2HG2 THR 48 4.527 -4.205 2.501 357 HA PRO 49 HA PRO 49 7.555 0.800 4.746 358 HB2 PRO 49 2HB PRO 49 9.764 1.061 3.207 359 HB3 PRO 49 1HB PRO 49 9.879 0.481 4.883 360 HG2 PRO 49 2HG PRO 49 9.954 -1.112 2.334 361 HG3 PRO 49 1HG PRO 49 10.949 -1.286 3.800 362 HD2 PRO 49 2HD PRO 49 8.709 -2.847 3.247 363 HD3 PRO 49 1HD PRO 49 9.355 -2.576 4.878 364 H VAL 50 H VAL 50 7.097 2.383 3.255 365 HA VAL 50 HA VAL 50 6.168 1.663 0.564 366 HB VAL 50 HB VAL 50 5.872 4.246 2.199 367 HG11 VAL 50 1HG1 VAL 50 5.924 4.836 -0.173 368 HG12 VAL 50 2HG1 VAL 50 4.270 4.991 0.420 369 HG13 VAL 50 3HG1 VAL 50 4.735 3.589 -0.550 370 HG21 VAL 50 3HG2 VAL 50 3.476 3.641 2.372 371 HG22 VAL 50 1HG2 VAL 50 4.492 2.378 3.070 372 HG23 VAL 50 2HG2 VAL 50 3.774 2.152 1.475 373 H THR 51 H THR 51 7.200 2.511 -1.259 374 HA THR 51 HA THR 51 9.754 3.971 -0.918 375 HB THR 51 HB THR 51 9.304 1.505 -2.672 376 HG1 THR 51 HG1 THR 51 9.524 0.979 -0.472 377 HG21 THR 51 3HG2 THR 51 10.928 3.078 -3.712 378 HG22 THR 51 1HG2 THR 51 11.732 1.614 -3.149 379 HG23 THR 51 2HG2 THR 51 11.864 3.105 -2.214 380 H ALA 52 H ALA 52 10.158 5.495 -2.552 381 HA ALA 52 HA ALA 52 7.970 6.562 -3.948 382 HB1 ALA 52 3HB ALA 52 9.910 7.907 -3.307 383 HB2 ALA 52 1HB ALA 52 9.594 8.051 -5.039 384 HB3 ALA 52 2HB ALA 52 10.923 7.038 -4.462 385 H GLY 53 H GLY 53 6.949 5.714 -5.638 386 HA2 GLY 53 2HA GLY 53 6.638 5.144 -7.858 387 HA3 GLY 53 1HA GLY 53 8.352 4.816 -8.029 388 H ASP 54 H ASP 54 6.714 3.289 -5.332 389 HA ASP 54 HA ASP 54 6.938 0.663 -6.599 390 HB2 ASP 54 2HB ASP 54 6.308 -0.247 -4.405 391 HB3 ASP 54 1HB ASP 54 7.630 0.896 -4.253 392 H GLU 55 H GLU 55 5.001 -0.877 -6.342 393 HA GLU 55 HA GLU 55 2.570 0.504 -7.348 394 HB2 GLU 55 2HB GLU 55 3.478 -2.360 -7.834 395 HB3 GLU 55 1HB GLU 55 2.021 -1.617 -8.491 396 HG2 GLU 55 2HG GLU 55 3.441 0.025 -9.707 397 HG3 GLU 55 1HG GLU 55 4.877 -0.799 -9.106 398 H ILE 56 H ILE 56 1.735 0.932 -5.270 399 HA ILE 56 HA ILE 56 1.041 -1.278 -3.466 400 HB ILE 56 HB ILE 56 0.572 1.736 -3.278 401 HG12 ILE 56 2HG1 ILE 56 2.579 -0.032 -1.804 402 HG13 ILE 56 1HG1 ILE 56 2.966 1.019 -3.160 403 HG21 ILE 56 1HG2 ILE 56 0.088 -0.341 -1.104 404 HG22 ILE 56 2HG2 ILE 56 -1.164 0.533 -1.983 405 HG23 ILE 56 3HG2 ILE 56 -0.064 1.407 -0.919 406 HD11 ILE 56 3HD1 ILE 56 2.302 2.962 -1.785 407 HD12 ILE 56 1HD1 ILE 56 3.654 2.044 -1.121 408 HD13 ILE 56 2HD1 ILE 56 2.046 1.865 -0.424 409 H GLU 57 H GLU 57 -0.555 -2.459 -4.408 410 HA GLU 57 HA GLU 57 -2.821 -1.107 -5.740 411 HB2 GLU 57 2HB GLU 57 -1.519 -2.675 -7.126 412 HB3 GLU 57 1HB GLU 57 -1.819 -3.972 -5.972 413 HG2 GLU 57 2HG GLU 57 -4.251 -3.816 -6.460 414 HG3 GLU 57 1HG GLU 57 -3.916 -2.542 -7.636 415 H ILE 58 H ILE 58 -4.395 -0.768 -4.291 416 HA ILE 58 HA ILE 58 -4.949 -2.747 -2.189 417 HB ILE 58 HB ILE 58 -5.846 0.155 -2.444 418 HG12 ILE 58 2HG1 ILE 58 -3.773 -1.146 -0.601 419 HG13 ILE 58 1HG1 ILE 58 -3.415 -0.091 -1.965 420 HG21 ILE 58 1HG2 ILE 58 -6.709 -0.095 -0.130 421 HG22 ILE 58 2HG2 ILE 58 -6.297 -1.809 -0.153 422 HG23 ILE 58 3HG2 ILE 58 -7.537 -1.184 -1.244 423 HD11 ILE 58 3HD1 ILE 58 -4.532 1.765 -0.791 424 HD12 ILE 58 1HD1 ILE 58 -3.177 1.097 0.118 425 HD13 ILE 58 2HD1 ILE 58 -4.829 0.695 0.581 426 H LEU 59 H LEU 59 -6.306 -4.203 -2.922 427 HA LEU 59 HA LEU 59 -8.745 -3.426 -4.411 428 HB2 LEU 59 2HB LEU 59 -8.651 -5.936 -5.187 429 HB3 LEU 59 1HB LEU 59 -7.642 -4.743 -5.976 430 HG LEU 59 HG LEU 59 -5.674 -5.537 -4.655 431 HD11 LEU 59 1HD1 LEU 59 -7.504 -7.715 -3.605 432 HD12 LEU 59 2HD1 LEU 59 -6.744 -6.428 -2.665 433 HD13 LEU 59 3HD1 LEU 59 -5.746 -7.662 -3.421 434 HD21 LEU 59 3HD2 LEU 59 -7.069 -7.714 -6.236 435 HD22 LEU 59 1HD2 LEU 59 -5.345 -7.652 -5.857 436 HD23 LEU 59 2HD2 LEU 59 -6.060 -6.423 -6.894 437 H THR 60 H THR 60 -10.452 -5.306 -4.133 438 HA THR 60 HA THR 60 -10.814 -5.787 -1.232 439 HB THR 60 HB THR 60 -13.247 -6.234 -1.932 440 HG1 THR 60 HG1 THR 60 -13.628 -4.982 -4.049 441 HG21 THR 60 3HG2 THR 60 -13.840 -3.838 -2.106 442 HG22 THR 60 1HG2 THR 60 -12.154 -3.442 -2.442 443 HG23 THR 60 2HG2 THR 60 -12.608 -4.099 -0.869 444 HA PRO 61 HA PRO 61 -9.574 -9.991 -2.609 445 HB2 PRO 61 2HB PRO 61 -9.158 -11.067 -0.111 446 HB3 PRO 61 1HB PRO 61 -7.984 -9.985 -0.895 447 HG2 PRO 61 2HG PRO 61 -10.061 -9.298 1.174 448 HG3 PRO 61 1HG PRO 61 -8.349 -8.818 1.096 449 HD2 PRO 61 2HD PRO 61 -10.327 -7.149 0.281 450 HD3 PRO 61 1HD PRO 61 -8.737 -7.171 -0.518 451 H ARG 62 H ARG 62 -10.900 -11.673 -3.075 452 HA ARG 62 HA ARG 62 -13.636 -11.640 -2.167 453 HB2 ARG 62 2HB ARG 62 -12.247 -13.606 -4.036 454 HB3 ARG 62 1HB ARG 62 -13.986 -13.444 -3.817 455 HG2 ARG 62 2HG ARG 62 -12.101 -11.434 -5.106 456 HG3 ARG 62 1HG ARG 62 -13.404 -12.339 -5.882 457 HD2 ARG 62 2HD ARG 62 -15.062 -11.112 -4.502 458 HD3 ARG 62 1HD ARG 62 -13.752 -10.196 -3.751 459 HE ARG 62 HE ARG 62 -14.037 -10.045 -6.665 460 HH11 ARG 62 2HH1 ARG 62 -14.561 -8.488 -3.563 461 HH12 ARG 62 1HH1 ARG 62 -14.778 -6.911 -4.249 462 HH21 ARG 62 2HH2 ARG 62 -14.316 -7.942 -7.552 463 HH22 ARG 62 1HH2 ARG 62 -14.641 -6.600 -6.505 464 H GLN 63 H GLN 63 -10.808 -13.710 -1.653 465 HA GLN 63 HA GLN 63 -10.088 -14.578 0.304 466 HB2 GLN 63 2HB GLN 63 -12.871 -13.987 1.361 467 HB3 GLN 63 1HB GLN 63 -11.616 -14.746 2.330 468 HG2 GLN 63 2HG GLN 63 -10.209 -12.759 2.135 469 HG3 GLN 63 1HG GLN 63 -11.377 -12.001 1.056 470 HE21 GLN 63 1HE2 GLN 63 -12.292 -13.800 3.966 471 HE22 GLN 63 2HE2 GLN 63 -12.848 -12.426 4.844 472 H GLY 64 H GLY 64 -13.474 -15.724 -0.077 473 HA2 GLY 64 2HA GLY 64 -12.654 -18.510 -0.170 474 HA3 GLY 64 1HA GLY 64 -14.280 -17.865 -0.377 475 H GLY 65 H GLY 65 -11.102 -18.034 -1.997 476 HA2 GLY 65 2HA GLY 65 -11.696 -17.068 -4.504 477 HA3 GLY 65 1HA GLY 65 -10.435 -18.234 -4.156 478 H LEU 66 H LEU 66 -13.721 -17.805 -5.256 479 HA LEU 66 HA LEU 66 -13.527 -20.228 -6.891 480 HB2 LEU 66 2HB LEU 66 -14.679 -20.832 -4.703 481 HB3 LEU 66 1HB LEU 66 -15.935 -19.675 -5.106 482 HG LEU 66 HG LEU 66 -16.512 -21.045 -7.132 483 HD11 LEU 66 1HD1 LEU 66 -14.353 -22.106 -7.526 484 HD12 LEU 66 2HD1 LEU 66 -15.629 -23.312 -7.392 485 HD13 LEU 66 3HD1 LEU 66 -14.519 -23.049 -6.042 486 HD21 LEU 66 3HD2 LEU 66 -16.650 -22.595 -4.526 487 HD22 LEU 66 1HD2 LEU 66 -17.655 -22.869 -5.953 488 HD23 LEU 66 2HD2 LEU 66 -17.789 -21.357 -5.058 489 H GLU 67 H GLU 67 -14.034 -16.991 -6.742 490 HA GLU 67 HA GLU 67 -16.379 -16.393 -8.178 491 HB2 GLU 67 2HB GLU 67 -15.113 -14.700 -6.923 492 HB3 GLU 67 1HB GLU 67 -13.733 -14.890 -7.995 493 HG2 GLU 67 2HG GLU 67 -15.193 -14.048 -9.880 494 HG3 GLU 67 1HG GLU 67 -16.438 -13.702 -8.685 495 H HIS 68 H HIS 68 -13.057 -16.958 -9.239 496 HA HIS 68 HA HIS 68 -13.985 -17.756 -11.933 497 HB2 HIS 68 2HB HIS 68 -11.576 -15.975 -11.320 498 HB3 HIS 68 1HB HIS 68 -11.866 -16.727 -12.886 499 HD1 HIS 68 HD1 HIS 68 -14.208 -15.948 -14.079 500 HD2 HIS 68 HD2 HIS 68 -12.738 -13.497 -11.060 501 HE1 HIS 68 HE1 HIS 68 -15.356 -13.740 -14.378 502 HE2 HIS 68 HE2 HIS 68 -14.342 -12.237 -12.635 503 H HIS 69 H HIS 69 -12.178 -19.049 -13.045 504 HA HIS 69 HA HIS 69 -11.047 -21.047 -11.261 505 HB2 HIS 69 2HB HIS 69 -10.838 -20.749 -14.291 506 HB3 HIS 69 1HB HIS 69 -10.217 -22.117 -13.372 507 HD1 HIS 69 HD1 HIS 69 -11.881 -23.948 -12.733 508 HD2 HIS 69 HD2 HIS 69 -13.708 -20.641 -14.468 509 HE1 HIS 69 HE1 HIS 69 -14.224 -24.673 -13.268 510 HE2 HIS 69 HE2 HIS 69 -15.362 -22.589 -14.108 511 H HIS 70 H HIS 70 -8.658 -21.728 -11.940 512 HA HIS 70 HA HIS 70 -6.944 -19.611 -11.051 513 HB2 HIS 70 2HB HIS 70 -6.666 -22.035 -10.443 514 HB3 HIS 70 1HB HIS 70 -6.193 -22.374 -12.099 515 HD1 HIS 70 HD1 HIS 70 -4.848 -21.372 -8.854 516 HD2 HIS 70 HD2 HIS 70 -3.611 -21.142 -12.819 517 HE1 HIS 70 HE1 HIS 70 -2.369 -20.980 -8.769 518 HE2 HIS 70 HE2 HIS 70 -1.627 -21.012 -11.176 519 H HIS 71 H HIS 71 -7.060 -18.003 -12.645 520 HA HIS 71 HA HIS 71 -6.141 -18.566 -15.368 521 HB2 HIS 71 2HB HIS 71 -6.686 -16.150 -15.812 522 HB3 HIS 71 1HB HIS 71 -8.055 -17.116 -15.291 523 HD1 HIS 71 HD1 HIS 71 -6.172 -14.071 -14.466 524 HD2 HIS 71 HD2 HIS 71 -8.905 -16.536 -12.552 525 HE1 HIS 71 HE1 HIS 71 -7.028 -12.749 -12.526 526 HE2 HIS 71 HE2 HIS 71 -8.521 -14.334 -11.277 527 H HIS 72 H HIS 72 -4.066 -19.170 -14.927 528 HA HIS 72 HA HIS 72 -1.821 -18.959 -14.956 529 HB2 HIS 72 2HB HIS 72 -2.338 -15.950 -15.045 530 HB3 HIS 72 1HB HIS 72 -0.754 -16.691 -15.251 531 HD1 HIS 72 HD1 HIS 72 -0.259 -17.813 -17.534 532 HD2 HIS 72 HD2 HIS 72 -4.061 -16.159 -17.265 533 HE1 HIS 72 HE1 HIS 72 -1.151 -17.784 -19.880 534 HE2 HIS 72 HE2 HIS 72 -3.506 -16.919 -19.670 535 H HIS 73 H HIS 73 0.104 -18.050 -13.663 536 HA HIS 73 HA HIS 73 -0.324 -16.844 -11.097 537 HB2 HIS 73 2HB HIS 73 -1.013 -19.150 -10.508 538 HB3 HIS 73 1HB HIS 73 0.487 -19.796 -11.155 539 HD1 HIS 73 HD1 HIS 73 -0.859 -17.857 -8.220 540 HD2 HIS 73 HD2 HIS 73 2.656 -19.717 -9.396 541 HE1 HIS 73 HE1 HIS 73 0.583 -17.901 -6.179 542 HE2 HIS 73 HE2 HIS 73 2.652 -19.158 -6.873 Start of MODEL 11 1 H1 MET 1 1H MET 1 7.318 11.742 -0.298 2 H2 MET 1 2H MET 1 6.156 10.518 -0.309 3 H3 MET 1 3H MET 1 5.836 11.986 -1.074 4 HA MET 1 HA MET 1 7.577 11.599 -2.657 5 HB2 MET 1 2HB MET 1 8.738 9.464 -2.748 6 HB3 MET 1 1HB MET 1 8.982 10.194 -1.169 7 HG2 MET 1 2HG MET 1 7.033 7.960 -1.775 8 HG3 MET 1 1HG MET 1 8.623 7.770 -1.034 9 HE1 MET 1 3HE MET 1 6.122 7.061 1.911 10 HE2 MET 1 1HE MET 1 7.478 6.432 0.973 11 HE3 MET 1 2HE MET 1 5.904 6.656 0.208 12 H LEU 2 H LEU 2 7.065 10.623 -4.638 13 HA LEU 2 HA LEU 2 4.249 10.113 -4.956 14 HB2 LEU 2 2HB LEU 2 5.499 11.637 -6.469 15 HB3 LEU 2 1HB LEU 2 6.509 10.298 -6.990 16 HG LEU 2 HG LEU 2 4.473 9.188 -7.951 17 HD11 LEU 2 1HD1 LEU 2 2.751 10.200 -6.573 18 HD12 LEU 2 2HD1 LEU 2 2.421 10.483 -8.278 19 HD13 LEU 2 3HD1 LEU 2 3.073 11.786 -7.281 20 HD21 LEU 2 3HD2 LEU 2 5.036 11.957 -9.065 21 HD22 LEU 2 1HD2 LEU 2 4.286 10.615 -9.935 22 HD23 LEU 2 2HD2 LEU 2 5.961 10.491 -9.406 23 H VAL 3 H VAL 3 3.409 8.147 -4.873 24 HA VAL 3 HA VAL 3 4.872 5.775 -5.890 25 HB VAL 3 HB VAL 3 3.627 4.387 -4.221 26 HG11 VAL 3 1HG1 VAL 3 4.929 5.032 -2.216 27 HG12 VAL 3 2HG1 VAL 3 5.304 6.589 -2.960 28 HG13 VAL 3 3HG1 VAL 3 5.906 5.095 -3.681 29 HG21 VAL 3 3HG2 VAL 3 1.683 5.860 -3.851 30 HG22 VAL 3 1HG2 VAL 3 2.710 7.036 -3.029 31 HG23 VAL 3 2HG2 VAL 3 2.450 5.439 -2.322 32 H THR 4 H THR 4 3.315 4.036 -6.683 33 HA THR 4 HA THR 4 1.023 5.297 -8.092 34 HB THR 4 HB THR 4 2.414 2.674 -8.815 35 HG1 THR 4 HG1 THR 4 3.098 5.322 -9.349 36 HG21 THR 4 3HG2 THR 4 1.388 3.029 -11.033 37 HG22 THR 4 1HG2 THR 4 0.613 4.505 -10.452 38 HG23 THR 4 2HG2 THR 4 0.148 2.941 -9.781 39 H ILE 5 H ILE 5 -0.713 5.019 -6.772 40 HA ILE 5 HA ILE 5 -1.200 2.439 -5.433 41 HB ILE 5 HB ILE 5 -2.639 5.097 -4.956 42 HG12 ILE 5 2HG1 ILE 5 -0.380 3.940 -3.247 43 HG13 ILE 5 1HG1 ILE 5 -0.144 5.206 -4.445 44 HG21 ILE 5 1HG2 ILE 5 -3.901 3.093 -4.245 45 HG22 ILE 5 2HG2 ILE 5 -3.400 4.058 -2.861 46 HG23 ILE 5 3HG2 ILE 5 -2.533 2.573 -3.252 47 HD11 ILE 5 3HD1 ILE 5 -1.635 6.680 -3.197 48 HD12 ILE 5 1HD1 ILE 5 -0.274 6.129 -2.221 49 HD13 ILE 5 2HD1 ILE 5 -1.869 5.419 -1.984 50 H ASN 6 H ASN 6 -2.363 1.122 -6.712 51 HA ASN 6 HA ASN 6 -4.015 0.215 -7.980 52 HB2 ASN 6 2HB ASN 6 -5.495 2.597 -6.830 53 HB3 ASN 6 1HB ASN 6 -6.287 1.528 -7.984 54 HD21 ASN 6 1HD2 ASN 6 -6.845 -0.517 -7.389 55 HD22 ASN 6 2HD2 ASN 6 -6.788 -1.074 -5.762 56 H GLY 7 H GLY 7 -2.116 2.138 -9.202 57 HA2 GLY 7 2HA GLY 7 -1.712 2.695 -11.423 58 HA3 GLY 7 1HA GLY 7 -3.414 2.448 -11.800 59 H GLU 8 H GLU 8 -3.113 4.383 -9.084 60 HA GLU 8 HA GLU 8 -3.304 6.924 -10.581 61 HB2 GLU 8 2HB GLU 8 -3.977 6.376 -7.646 62 HB3 GLU 8 1HB GLU 8 -4.244 7.884 -8.509 63 HG2 GLU 8 2HG GLU 8 -5.649 5.257 -9.010 64 HG3 GLU 8 1HG GLU 8 -6.327 6.684 -8.234 65 H GLN 9 H GLN 9 -1.602 8.310 -10.481 66 HA GLN 9 HA GLN 9 0.677 7.806 -8.752 67 HB2 GLN 9 2HB GLN 9 0.093 10.168 -10.597 68 HB3 GLN 9 1HB GLN 9 1.638 9.817 -9.832 69 HG2 GLN 9 2HG GLN 9 1.811 7.721 -11.128 70 HG3 GLN 9 1HG GLN 9 0.263 8.067 -11.891 71 HE21 GLN 9 1HE2 GLN 9 2.790 10.465 -11.246 72 HE22 GLN 9 2HE2 GLN 9 3.159 10.772 -12.901 73 H ARG 10 H ARG 10 0.592 8.361 -6.657 74 HA ARG 10 HA ARG 10 -0.580 10.933 -5.844 75 HB2 ARG 10 2HB ARG 10 -2.329 9.293 -5.352 76 HB3 ARG 10 1HB ARG 10 -1.184 8.264 -4.497 77 HG2 ARG 10 2HG ARG 10 -0.883 9.992 -2.777 78 HG3 ARG 10 1HG ARG 10 -1.988 11.066 -3.632 79 HD2 ARG 10 2HD ARG 10 -3.859 9.605 -3.178 80 HD3 ARG 10 1HD ARG 10 -2.788 8.353 -2.531 81 HE ARG 10 HE ARG 10 -2.197 10.275 -0.856 82 HH11 ARG 10 1HH1 ARG 10 -5.425 9.468 -2.039 83 HH12 ARG 10 2HH1 ARG 10 -6.217 10.028 -0.599 84 HH21 ARG 10 1HH2 ARG 10 -3.252 10.959 1.028 85 HH22 ARG 10 2HH2 ARG 10 -4.982 10.870 1.131 86 H GLU 11 H GLU 11 0.707 12.031 -4.564 87 HA GLU 11 HA GLU 11 3.157 10.917 -3.473 88 HB2 GLU 11 2HB GLU 11 3.568 13.280 -2.717 89 HB3 GLU 11 1HB GLU 11 3.306 13.122 -4.449 90 HG2 GLU 11 2HG GLU 11 1.015 13.932 -4.211 91 HG3 GLU 11 1HG GLU 11 1.200 13.996 -2.463 92 H VAL 12 H VAL 12 3.455 10.286 -1.422 93 HA VAL 12 HA VAL 12 1.488 10.905 0.691 94 HB VAL 12 HB VAL 12 1.437 8.575 1.470 95 HG11 VAL 12 1HG1 VAL 12 0.694 8.741 -1.480 96 HG12 VAL 12 2HG1 VAL 12 -0.316 9.223 -0.118 97 HG13 VAL 12 3HG1 VAL 12 0.103 7.527 -0.341 98 HG21 VAL 12 3HG2 VAL 12 3.181 7.883 -0.929 99 HG22 VAL 12 1HG2 VAL 12 2.434 6.711 0.163 100 HG23 VAL 12 2HG2 VAL 12 3.662 7.822 0.768 101 H GLN 13 H GLN 13 2.341 10.440 2.864 102 HA GLN 13 HA GLN 13 5.275 10.899 3.062 103 HB2 GLN 13 2HB GLN 13 4.899 12.235 5.035 104 HB3 GLN 13 1HB GLN 13 3.839 12.841 3.781 105 HG2 GLN 13 2HG GLN 13 2.992 11.058 6.082 106 HG3 GLN 13 1HG GLN 13 2.772 12.802 6.002 107 HE21 GLN 13 1HE2 GLN 13 0.838 10.550 6.200 108 HE22 GLN 13 2HE2 GLN 13 -0.284 10.817 4.918 109 H SER 14 H SER 14 2.769 8.770 3.726 110 HA SER 14 HA SER 14 3.484 7.678 6.221 111 HB2 SER 14 2HB SER 14 2.005 5.759 5.385 112 HB3 SER 14 1HB SER 14 1.260 7.359 5.397 113 HG SER 14 HG SER 14 2.356 6.000 3.156 114 H ALA 15 H ALA 15 5.498 6.948 6.509 115 HA ALA 15 HA ALA 15 7.087 5.531 4.602 116 HB1 ALA 15 3HB ALA 15 7.418 5.802 7.610 117 HB2 ALA 15 1HB ALA 15 8.082 6.892 6.393 118 HB3 ALA 15 2HB ALA 15 8.655 5.227 6.487 119 H SER 16 H SER 16 4.588 4.558 6.754 120 HA SER 16 HA SER 16 5.325 1.692 6.633 121 HB2 SER 16 2HB SER 16 4.854 2.569 8.892 122 HB3 SER 16 1HB SER 16 3.282 3.169 8.366 123 HG SER 16 HG SER 16 4.065 0.614 9.065 124 H VAL 17 H VAL 17 3.978 0.217 5.604 125 HA VAL 17 HA VAL 17 2.029 1.113 3.722 126 HB VAL 17 HB VAL 17 2.599 -1.714 4.729 127 HG11 VAL 17 1HG1 VAL 17 1.377 -2.543 2.742 128 HG12 VAL 17 2HG1 VAL 17 0.899 -0.892 2.341 129 HG13 VAL 17 3HG1 VAL 17 0.315 -1.644 3.827 130 HG21 VAL 17 3HG2 VAL 17 3.816 -2.002 2.601 131 HG22 VAL 17 1HG2 VAL 17 4.507 -0.695 3.564 132 HG23 VAL 17 2HG2 VAL 17 3.484 -0.322 2.174 133 H ALA 18 H ALA 18 1.839 -0.112 7.050 134 HA ALA 18 HA ALA 18 -0.986 -0.424 7.247 135 HB1 ALA 18 3HB ALA 18 0.537 -1.309 8.959 136 HB2 ALA 18 1HB ALA 18 -0.663 -0.245 9.692 137 HB3 ALA 18 2HB ALA 18 0.989 0.326 9.437 138 H ALA 19 H ALA 19 1.160 2.325 7.895 139 HA ALA 19 HA ALA 19 -0.812 4.216 8.669 140 HB1 ALA 19 3HB ALA 19 1.572 4.507 9.174 141 HB2 ALA 19 1HB ALA 19 0.937 5.905 8.305 142 HB3 ALA 19 2HB ALA 19 1.929 4.711 7.459 143 H LEU 20 H LEU 20 0.530 3.285 5.531 144 HA LEU 20 HA LEU 20 -0.700 5.339 3.983 145 HB2 LEU 20 2HB LEU 20 1.246 4.059 3.175 146 HB3 LEU 20 1HB LEU 20 0.288 2.583 3.160 147 HG LEU 20 HG LEU 20 -1.144 3.517 1.364 148 HD11 LEU 20 1HD1 LEU 20 -1.003 5.893 1.884 149 HD12 LEU 20 2HD1 LEU 20 -0.560 5.592 0.207 150 HD13 LEU 20 3HD1 LEU 20 0.697 5.924 1.401 151 HD21 LEU 20 3HD2 LEU 20 0.815 2.175 0.751 152 HD22 LEU 20 1HD2 LEU 20 1.808 3.634 0.676 153 HD23 LEU 20 2HD2 LEU 20 0.475 3.403 -0.461 154 H MET 21 H MET 21 -1.642 2.011 4.794 155 HA MET 21 HA MET 21 -4.066 1.972 3.286 156 HB2 MET 21 2HB MET 21 -3.200 0.276 5.678 157 HB3 MET 21 1HB MET 21 -4.621 -0.048 4.692 158 HG2 MET 21 2HG MET 21 -1.799 -0.013 3.602 159 HG3 MET 21 1HG MET 21 -2.617 -1.466 4.165 160 HE1 MET 21 3HE MET 21 -4.303 -2.832 2.782 161 HE2 MET 21 1HE MET 21 -5.276 -2.156 1.476 162 HE3 MET 21 2HE MET 21 -5.463 -1.547 3.118 163 H THR 22 H THR 22 -3.220 3.122 6.524 164 HA THR 22 HA THR 22 -5.974 3.603 7.332 165 HB THR 22 HB THR 22 -3.383 4.665 8.564 166 HG1 THR 22 HG1 THR 22 -3.905 2.231 8.375 167 HG21 THR 22 3HG2 THR 22 -4.699 4.863 10.640 168 HG22 THR 22 1HG2 THR 22 -6.164 4.367 9.773 169 HG23 THR 22 2HG2 THR 22 -5.368 5.890 9.380 170 H GLU 23 H GLU 23 -3.416 5.380 5.727 171 HA GLU 23 HA GLU 23 -4.520 8.001 5.834 172 HB2 GLU 23 2HB GLU 23 -2.135 7.512 5.295 173 HB3 GLU 23 1HB GLU 23 -2.626 6.769 3.779 174 HG2 GLU 23 2HG GLU 23 -1.744 9.024 3.419 175 HG3 GLU 23 1HG GLU 23 -3.442 8.931 2.961 176 H LEU 24 H LEU 24 -4.844 5.271 3.673 177 HA LEU 24 HA LEU 24 -6.646 6.673 1.816 178 HB2 LEU 24 2HB LEU 24 -5.370 3.912 1.698 179 HB3 LEU 24 1HB LEU 24 -6.314 4.648 0.412 180 HG LEU 24 HG LEU 24 -3.688 5.781 1.440 181 HD11 LEU 24 1HD1 LEU 24 -4.151 4.066 -1.012 182 HD12 LEU 24 2HD1 LEU 24 -3.287 3.593 0.456 183 HD13 LEU 24 3HD1 LEU 24 -2.642 4.870 -0.569 184 HD21 LEU 24 3HD2 LEU 24 -3.718 7.125 -0.609 185 HD22 LEU 24 1HD2 LEU 24 -5.117 7.459 0.409 186 HD23 LEU 24 2HD2 LEU 24 -5.298 6.458 -1.033 187 H ASP 25 H ASP 25 -7.071 5.275 4.692 188 HA ASP 25 HA ASP 25 -8.593 4.134 5.855 189 HB2 ASP 25 2HB ASP 25 -10.905 4.757 5.578 190 HB3 ASP 25 1HB ASP 25 -9.899 6.145 5.220 191 H CYS 26 H CYS 26 -7.342 2.652 3.683 192 HA CYS 26 HA CYS 26 -9.260 0.615 2.858 193 HB2 CYS 26 2HB CYS 26 -6.252 0.829 2.384 194 HB3 CYS 26 1HB CYS 26 -7.354 -0.285 1.581 195 HG CYS 26 HG CYS 26 -7.155 1.351 -0.436 196 H THR 27 H THR 27 -8.283 1.139 5.765 197 HA THR 27 HA THR 27 -7.225 -1.507 6.478 198 HB THR 27 HB THR 27 -7.317 -0.465 8.869 199 HG1 THR 27 HG1 THR 27 -7.675 1.668 9.028 200 HG21 THR 27 3HG2 THR 27 -5.449 0.771 6.816 201 HG22 THR 27 1HG2 THR 27 -5.188 -0.755 7.664 202 HG23 THR 27 2HG2 THR 27 -5.196 0.765 8.559 203 H ASP 28 H ASP 28 -9.998 0.649 7.068 204 HA ASP 28 HA ASP 28 -11.449 -1.267 8.660 205 HB2 ASP 28 2HB ASP 28 -12.209 1.453 7.513 206 HB3 ASP 28 1HB ASP 28 -13.306 0.482 8.490 207 H GLY 29 H GLY 29 -12.321 -2.981 7.714 208 HA2 GLY 29 2HA GLY 29 -14.304 -3.749 6.523 209 HA3 GLY 29 1HA GLY 29 -13.864 -2.688 5.191 210 H HIS 30 H HIS 30 -14.258 -4.874 4.150 211 HA HIS 30 HA HIS 30 -12.140 -6.838 4.280 212 HB2 HIS 30 2HB HIS 30 -14.325 -6.466 2.172 213 HB3 HIS 30 1HB HIS 30 -13.272 -7.868 2.315 214 HD1 HIS 30 HD1 HIS 30 -16.296 -6.275 3.821 215 HD2 HIS 30 HD2 HIS 30 -13.983 -9.683 4.364 216 HE1 HIS 30 HE1 HIS 30 -17.615 -7.744 5.365 217 HE2 HIS 30 HE2 HIS 30 -16.105 -9.687 5.854 218 H TYR 31 H TYR 31 -10.241 -5.528 3.936 219 HA TYR 31 HA TYR 31 -9.704 -4.979 1.086 220 HB2 TYR 31 2HB TYR 31 -8.993 -3.069 3.361 221 HB3 TYR 31 1HB TYR 31 -8.430 -2.906 1.695 222 HD1 TYR 31 HD1 TYR 31 -10.196 -2.557 -0.150 223 HD2 TYR 31 HD2 TYR 31 -11.086 -2.140 4.008 224 HE1 TYR 31 HE1 TYR 31 -12.237 -1.313 -0.710 225 HE2 TYR 31 HE2 TYR 31 -13.120 -0.888 3.451 226 HH TYR 31 HH TYR 31 -14.119 0.329 1.688 227 H ALA 32 H ALA 32 -7.537 -4.993 0.513 228 HA ALA 32 HA ALA 32 -5.470 -6.014 2.317 229 HB1 ALA 32 3HB ALA 32 -4.916 -7.884 0.794 230 HB2 ALA 32 1HB ALA 32 -6.290 -7.471 -0.239 231 HB3 ALA 32 2HB ALA 32 -6.563 -8.057 1.402 232 H VAL 33 H VAL 33 -3.320 -6.040 1.075 233 HA VAL 33 HA VAL 33 -3.259 -4.086 -1.157 234 HB VAL 33 HB VAL 33 -2.631 -2.937 0.965 235 HG11 VAL 33 1HG1 VAL 33 -0.562 -3.465 2.153 236 HG12 VAL 33 2HG1 VAL 33 -0.297 -4.859 1.106 237 HG13 VAL 33 3HG1 VAL 33 -1.685 -4.825 2.195 238 HG21 VAL 33 3HG2 VAL 33 -0.310 -3.217 -0.977 239 HG22 VAL 33 1HG2 VAL 33 -0.545 -1.894 0.169 240 HG23 VAL 33 2HG2 VAL 33 -1.689 -2.132 -1.152 241 H ALA 34 H ALA 34 -1.684 -4.436 -2.678 242 HA ALA 34 HA ALA 34 0.106 -6.778 -2.433 243 HB1 ALA 34 3HB ALA 34 -1.371 -5.881 -4.948 244 HB2 ALA 34 1HB ALA 34 -1.717 -7.326 -3.996 245 HB3 ALA 34 2HB ALA 34 -0.185 -7.187 -4.853 246 H LEU 35 H LEU 35 1.998 -5.838 -2.087 247 HA LEU 35 HA LEU 35 2.759 -3.341 -3.430 248 HB2 LEU 35 2HB LEU 35 3.303 -3.585 -1.041 249 HB3 LEU 35 1HB LEU 35 4.207 -5.057 -1.361 250 HG LEU 35 HG LEU 35 5.873 -3.732 -2.657 251 HD11 LEU 35 1HD1 LEU 35 5.887 -1.279 -2.557 252 HD12 LEU 35 2HD1 LEU 35 4.304 -1.295 -1.777 253 HD13 LEU 35 3HD1 LEU 35 4.484 -1.888 -3.429 254 HD21 LEU 35 3HD2 LEU 35 6.285 -4.208 -0.301 255 HD22 LEU 35 1HD2 LEU 35 5.421 -2.742 0.175 256 HD23 LEU 35 2HD2 LEU 35 6.933 -2.630 -0.732 257 H ASN 36 H ASN 36 3.422 -3.568 -5.419 258 HA ASN 36 HA ASN 36 4.305 -4.269 -7.349 259 HB2 ASN 36 2HB ASN 36 6.462 -5.485 -5.563 260 HB3 ASN 36 1HB ASN 36 6.621 -5.115 -7.281 261 HD21 ASN 36 1HD2 ASN 36 8.270 -4.113 -5.167 262 HD22 ASN 36 2HD2 ASN 36 8.091 -2.395 -5.169 263 H TYR 37 H TYR 37 2.236 -5.714 -6.789 264 HA TYR 37 HA TYR 37 1.049 -7.501 -7.471 265 HB2 TYR 37 2HB TYR 37 3.668 -8.563 -8.597 266 HB3 TYR 37 1HB TYR 37 2.099 -9.308 -8.869 267 HD1 TYR 37 HD1 TYR 37 0.317 -7.991 -10.131 268 HD2 TYR 37 HD2 TYR 37 4.407 -6.749 -9.978 269 HE1 TYR 37 HE1 TYR 37 -0.026 -6.585 -12.113 270 HE2 TYR 37 HE2 TYR 37 4.054 -5.346 -11.959 271 HH TYR 37 HH TYR 37 1.044 -4.533 -13.126 272 H ASP 38 H ASP 38 3.260 -7.639 -5.049 273 HA ASP 38 HA ASP 38 2.708 -10.444 -4.304 274 HB2 ASP 38 2HB ASP 38 5.082 -9.879 -4.326 275 HB3 ASP 38 1HB ASP 38 4.810 -8.448 -3.341 276 H VAL 39 H VAL 39 0.928 -10.633 -3.046 277 HA VAL 39 HA VAL 39 -0.302 -8.386 -1.790 278 HB VAL 39 HB VAL 39 -1.011 -11.348 -1.558 279 HG11 VAL 39 1HG1 VAL 39 -3.227 -10.572 -0.770 280 HG12 VAL 39 2HG1 VAL 39 -2.654 -8.903 -0.785 281 HG13 VAL 39 3HG1 VAL 39 -1.941 -10.069 0.328 282 HG21 VAL 39 3HG2 VAL 39 -2.738 -10.860 -3.247 283 HG22 VAL 39 1HG2 VAL 39 -1.136 -10.482 -3.876 284 HG23 VAL 39 2HG2 VAL 39 -2.201 -9.182 -3.340 285 H VAL 40 H VAL 40 0.226 -7.549 0.048 286 HA VAL 40 HA VAL 40 1.960 -8.892 1.963 287 HB VAL 40 HB VAL 40 0.925 -6.013 1.947 288 HG11 VAL 40 1HG1 VAL 40 2.740 -5.528 3.545 289 HG12 VAL 40 2HG1 VAL 40 3.181 -7.237 3.580 290 HG13 VAL 40 3HG1 VAL 40 1.611 -6.715 4.194 291 HG21 VAL 40 3HG2 VAL 40 3.595 -7.082 0.965 292 HG22 VAL 40 1HG2 VAL 40 3.139 -5.377 1.065 293 HG23 VAL 40 2HG2 VAL 40 2.289 -6.454 -0.039 294 HA PRO 41 HA PRO 41 -1.778 -9.805 4.483 295 HB2 PRO 41 2HB PRO 41 -0.477 -11.087 6.533 296 HB3 PRO 41 1HB PRO 41 -0.774 -11.868 4.967 297 HG2 PRO 41 2HG PRO 41 1.721 -10.541 5.958 298 HG3 PRO 41 1HG PRO 41 1.534 -12.093 5.110 299 HD2 PRO 41 2HD PRO 41 2.302 -9.837 3.814 300 HD3 PRO 41 1HD PRO 41 1.311 -11.085 3.026 301 H ARG 42 H ARG 42 -2.570 -9.085 6.601 302 HA ARG 42 HA ARG 42 -1.895 -6.419 7.164 303 HB2 ARG 42 2HB ARG 42 -4.143 -7.396 7.555 304 HB3 ARG 42 1HB ARG 42 -3.500 -8.313 8.917 305 HG2 ARG 42 2HG ARG 42 -2.937 -6.187 10.063 306 HG3 ARG 42 1HG ARG 42 -3.608 -5.283 8.703 307 HD2 ARG 42 2HD ARG 42 -5.127 -7.156 10.540 308 HD3 ARG 42 1HD ARG 42 -5.214 -5.393 10.534 309 HE ARG 42 HE ARG 42 -5.866 -6.431 7.976 310 HH11 ARG 42 2HH1 ARG 42 -7.252 -6.068 11.201 311 HH12 ARG 42 1HH1 ARG 42 -8.885 -6.070 10.621 312 HH21 ARG 42 2HH2 ARG 42 -7.976 -6.494 7.246 313 HH22 ARG 42 1HH2 ARG 42 -9.298 -6.317 8.355 314 H GLY 43 H GLY 43 -0.969 -9.416 8.769 315 HA2 GLY 43 2HA GLY 43 0.395 -8.372 11.001 316 HA3 GLY 43 1HA GLY 43 0.694 -9.936 10.249 317 H LYS 44 H LYS 44 1.230 -7.994 7.736 318 HA LYS 44 HA LYS 44 4.009 -7.285 8.440 319 HB2 LYS 44 2HB LYS 44 2.863 -8.416 5.868 320 HB3 LYS 44 1HB LYS 44 4.392 -7.541 5.876 321 HG2 LYS 44 2HG LYS 44 5.279 -9.199 7.546 322 HG3 LYS 44 1HG LYS 44 3.776 -10.112 7.367 323 HD2 LYS 44 2HD LYS 44 4.239 -10.555 5.025 324 HD3 LYS 44 1HD LYS 44 5.628 -9.464 5.042 325 HE2 LYS 44 2HE LYS 44 5.432 -12.025 6.663 326 HE3 LYS 44 1HE LYS 44 6.265 -11.871 5.116 327 HZ1 LYS 44 3HZ LYS 44 7.825 -11.699 6.925 328 HZ2 LYS 44 1HZ LYS 44 6.949 -10.429 7.619 329 HZ3 LYS 44 2HZ LYS 44 7.723 -10.207 6.134 330 H TRP 45 H TRP 45 1.007 -5.860 7.626 331 HA TRP 45 HA TRP 45 1.711 -3.879 5.756 332 HB2 TRP 45 2HB TRP 45 -0.369 -3.753 7.977 333 HB3 TRP 45 1HB TRP 45 -0.153 -2.453 6.811 334 HD1 TRP 45 HD1 TRP 45 0.309 -5.485 4.860 335 HE1 TRP 45 HE1 TRP 45 -1.859 -6.230 3.718 336 HE3 TRP 45 HE3 TRP 45 -3.031 -2.554 7.411 337 HZ2 TRP 45 HZ2 TRP 45 -4.604 -5.654 3.833 338 HZ3 TRP 45 HZ3 TRP 45 -5.418 -2.711 6.815 339 HH2 TRP 45 HH2 TRP 45 -6.186 -4.228 5.062 340 H ASP 46 H ASP 46 1.933 -3.707 9.318 341 HA ASP 46 HA ASP 46 3.129 -1.091 9.386 342 HB2 ASP 46 2HB ASP 46 1.852 -2.061 11.316 343 HB3 ASP 46 1HB ASP 46 3.125 -3.254 11.550 344 H GLU 47 H GLU 47 4.327 -4.407 9.434 345 HA GLU 47 HA GLU 47 7.058 -3.880 9.987 346 HB2 GLU 47 2HB GLU 47 5.816 -6.265 8.554 347 HB3 GLU 47 1HB GLU 47 7.424 -6.224 9.264 348 HG2 GLU 47 2HG GLU 47 4.810 -6.015 10.775 349 HG3 GLU 47 1HG GLU 47 5.849 -7.436 10.689 350 H THR 48 H THR 48 5.241 -3.542 7.064 351 HA THR 48 HA THR 48 7.626 -3.709 5.334 352 HB THR 48 HB THR 48 4.669 -3.586 4.554 353 HG1 THR 48 HG1 THR 48 5.544 -5.574 5.610 354 HG21 THR 48 3HG2 THR 48 7.116 -4.176 2.846 355 HG22 THR 48 1HG2 THR 48 6.152 -2.700 2.774 356 HG23 THR 48 2HG2 THR 48 5.437 -4.243 2.308 357 HA PRO 49 HA PRO 49 7.336 0.837 5.193 358 HB2 PRO 49 2HB PRO 49 9.658 1.348 3.908 359 HB3 PRO 49 1HB PRO 49 9.644 0.743 5.576 360 HG2 PRO 49 2HG PRO 49 10.153 -0.760 3.039 361 HG3 PRO 49 1HG PRO 49 10.993 -0.870 4.602 362 HD2 PRO 49 2HD PRO 49 9.007 -2.628 3.775 363 HD3 PRO 49 1HD PRO 49 9.447 -2.335 5.469 364 H VAL 50 H VAL 50 7.258 2.523 3.543 365 HA VAL 50 HA VAL 50 6.479 1.628 0.816 366 HB VAL 50 HB VAL 50 5.598 4.158 2.318 367 HG11 VAL 50 1HG1 VAL 50 4.699 3.115 -0.391 368 HG12 VAL 50 2HG1 VAL 50 5.691 4.541 -0.094 369 HG13 VAL 50 3HG1 VAL 50 4.018 4.509 0.454 370 HG21 VAL 50 3HG2 VAL 50 4.542 2.168 3.284 371 HG22 VAL 50 1HG2 VAL 50 3.960 1.677 1.693 372 HG23 VAL 50 2HG2 VAL 50 3.354 3.159 2.441 373 H THR 51 H THR 51 7.920 2.278 -0.747 374 HA THR 51 HA THR 51 9.431 4.798 -0.363 375 HB THR 51 HB THR 51 11.214 3.756 -1.883 376 HG1 THR 51 HG1 THR 51 9.782 1.964 -2.492 377 HG21 THR 51 3HG2 THR 51 12.352 2.536 -0.085 378 HG22 THR 51 1HG2 THR 51 10.847 2.439 0.835 379 HG23 THR 51 2HG2 THR 51 11.609 4.004 0.542 380 H ALA 52 H ALA 52 10.080 5.800 -2.350 381 HA ALA 52 HA ALA 52 7.857 6.417 -3.949 382 HB1 ALA 52 3HB ALA 52 9.642 7.988 -3.321 383 HB2 ALA 52 1HB ALA 52 9.382 7.958 -5.067 384 HB3 ALA 52 2HB ALA 52 10.775 7.126 -4.364 385 H GLY 53 H GLY 53 7.316 5.938 -6.040 386 HA2 GLY 53 2HA GLY 53 7.581 5.227 -8.236 387 HA3 GLY 53 1HA GLY 53 9.156 4.557 -7.839 388 H ASP 54 H ASP 54 7.492 3.226 -5.441 389 HA ASP 54 HA ASP 54 7.194 0.708 -6.794 390 HB2 ASP 54 2HB ASP 54 6.650 1.570 -3.930 391 HB3 ASP 54 1HB ASP 54 6.415 -0.084 -4.493 392 H GLU 55 H GLU 55 5.388 -0.533 -7.080 393 HA GLU 55 HA GLU 55 2.922 0.960 -7.609 394 HB2 GLU 55 2HB GLU 55 3.911 -0.328 -9.456 395 HB3 GLU 55 1HB GLU 55 3.847 -1.808 -8.503 396 HG2 GLU 55 2HG GLU 55 1.414 -1.737 -8.492 397 HG3 GLU 55 1HG GLU 55 1.421 -0.205 -9.365 398 H ILE 56 H ILE 56 1.780 1.060 -5.782 399 HA ILE 56 HA ILE 56 1.383 -1.277 -4.031 400 HB ILE 56 HB ILE 56 0.659 1.678 -3.676 401 HG12 ILE 56 2HG1 ILE 56 3.012 0.130 -2.483 402 HG13 ILE 56 1HG1 ILE 56 3.136 1.187 -3.884 403 HG21 ILE 56 1HG2 ILE 56 -0.763 0.216 -2.297 404 HG22 ILE 56 2HG2 ILE 56 0.347 1.140 -1.288 405 HG23 ILE 56 3HG2 ILE 56 0.668 -0.563 -1.615 406 HD11 ILE 56 3HD1 ILE 56 2.427 3.072 -2.474 407 HD12 ILE 56 1HD1 ILE 56 3.933 2.314 -1.960 408 HD13 ILE 56 2HD1 ILE 56 2.444 1.985 -1.080 409 H GLU 57 H GLU 57 -0.135 -2.496 -5.070 410 HA GLU 57 HA GLU 57 -2.581 -1.306 -6.195 411 HB2 GLU 57 2HB GLU 57 -1.262 -2.914 -7.568 412 HB3 GLU 57 1HB GLU 57 -1.447 -4.145 -6.320 413 HG2 GLU 57 2HG GLU 57 -2.962 -4.522 -8.200 414 HG3 GLU 57 1HG GLU 57 -3.850 -4.224 -6.710 415 H ILE 58 H ILE 58 -4.182 -1.046 -4.687 416 HA ILE 58 HA ILE 58 -4.355 -2.878 -2.377 417 HB ILE 58 HB ILE 58 -5.733 -0.194 -2.866 418 HG12 ILE 58 2HG1 ILE 58 -3.392 -0.930 -1.040 419 HG13 ILE 58 1HG1 ILE 58 -3.307 0.054 -2.496 420 HG21 ILE 58 1HG2 ILE 58 -6.492 -0.305 -0.531 421 HG22 ILE 58 2HG2 ILE 58 -5.784 -1.910 -0.354 422 HG23 ILE 58 3HG2 ILE 58 -7.135 -1.657 -1.461 423 HD11 ILE 58 3HD1 ILE 58 -4.722 0.783 0.061 424 HD12 ILE 58 1HD1 ILE 58 -4.688 1.761 -1.411 425 HD13 ILE 58 2HD1 ILE 58 -3.195 1.431 -0.536 426 H LEU 59 H LEU 59 -5.719 -4.529 -2.551 427 HA LEU 59 HA LEU 59 -8.156 -4.285 -4.204 428 HB2 LEU 59 2HB LEU 59 -7.897 -6.656 -4.914 429 HB3 LEU 59 1HB LEU 59 -6.678 -5.587 -5.552 430 HG LEU 59 HG LEU 59 -5.719 -7.771 -5.080 431 HD11 LEU 59 1HD1 LEU 59 -3.794 -7.214 -3.708 432 HD12 LEU 59 2HD1 LEU 59 -4.627 -5.793 -3.076 433 HD13 LEU 59 3HD1 LEU 59 -4.209 -5.884 -4.788 434 HD21 LEU 59 3HD2 LEU 59 -5.547 -8.789 -2.880 435 HD22 LEU 59 1HD2 LEU 59 -7.239 -8.558 -3.316 436 HD23 LEU 59 2HD2 LEU 59 -6.470 -7.467 -2.160 437 H THR 60 H THR 60 -9.930 -5.608 -3.567 438 HA THR 60 HA THR 60 -10.106 -6.054 -0.691 439 HB THR 60 HB THR 60 -12.520 -6.625 -1.248 440 HG1 THR 60 HG1 THR 60 -12.343 -5.571 -3.807 441 HG21 THR 60 3HG2 THR 60 -13.223 -4.359 -1.911 442 HG22 THR 60 1HG2 THR 60 -11.565 -3.967 -2.365 443 HG23 THR 60 2HG2 THR 60 -11.966 -4.302 -0.677 444 HA PRO 61 HA PRO 61 -9.399 -10.606 -0.972 445 HB2 PRO 61 2HB PRO 61 -11.363 -11.320 0.958 446 HB3 PRO 61 1HB PRO 61 -9.647 -11.009 1.274 447 HG2 PRO 61 2HG PRO 61 -11.976 -9.169 1.599 448 HG3 PRO 61 1HG PRO 61 -10.509 -9.334 2.595 449 HD2 PRO 61 2HD PRO 61 -10.786 -7.281 0.897 450 HD3 PRO 61 1HD PRO 61 -9.207 -8.065 1.120 451 H ARG 62 H ARG 62 -10.288 -12.082 -2.301 452 HA ARG 62 HA ARG 62 -11.510 -12.942 -3.979 453 HB2 ARG 62 2HB ARG 62 -13.355 -13.036 -2.129 454 HB3 ARG 62 1HB ARG 62 -14.051 -11.634 -2.923 455 HG2 ARG 62 2HG ARG 62 -13.615 -14.333 -4.250 456 HG3 ARG 62 1HG ARG 62 -15.129 -13.812 -3.527 457 HD2 ARG 62 2HD ARG 62 -15.126 -11.883 -5.181 458 HD3 ARG 62 1HD ARG 62 -13.765 -12.667 -5.978 459 HE ARG 62 HE ARG 62 -16.528 -13.704 -5.800 460 HH11 ARG 62 1HH1 ARG 62 -13.347 -13.879 -7.299 461 HH12 ARG 62 2HH1 ARG 62 -13.876 -14.956 -8.553 462 HH21 ARG 62 2HH2 ARG 62 -17.215 -15.069 -7.460 463 HH22 ARG 62 1HH2 ARG 62 -16.081 -15.631 -8.648 464 H GLN 63 H GLN 63 -10.198 -11.548 -5.244 465 HA GLN 63 HA GLN 63 -11.687 -9.618 -6.851 466 HB2 GLN 63 2HB GLN 63 -10.609 -8.291 -4.989 467 HB3 GLN 63 1HB GLN 63 -9.041 -8.852 -5.536 468 HG2 GLN 63 2HG GLN 63 -9.514 -6.548 -6.252 469 HG3 GLN 63 1HG GLN 63 -9.284 -7.629 -7.626 470 HE21 GLN 63 1HE2 GLN 63 -11.640 -5.780 -5.801 471 HE22 GLN 63 2HE2 GLN 63 -12.886 -5.809 -6.999 472 H GLY 64 H GLY 64 -10.503 -9.088 -8.881 473 HA2 GLY 64 2HA GLY 64 -8.217 -9.949 -9.957 474 HA3 GLY 64 1HA GLY 64 -9.153 -11.446 -9.945 475 H GLY 65 H GLY 65 -9.921 -11.807 -11.946 476 HA2 GLY 65 2HA GLY 65 -11.702 -11.346 -13.513 477 HA3 GLY 65 1HA GLY 65 -11.379 -9.623 -13.355 478 H LEU 66 H LEU 66 -11.581 -10.571 -15.822 479 HA LEU 66 HA LEU 66 -8.819 -10.906 -16.871 480 HB2 LEU 66 2HB LEU 66 -11.500 -11.786 -18.029 481 HB3 LEU 66 1HB LEU 66 -10.030 -11.744 -18.982 482 HG LEU 66 HG LEU 66 -10.357 -14.018 -18.332 483 HD11 LEU 66 1HD1 LEU 66 -8.037 -13.290 -18.253 484 HD12 LEU 66 2HD1 LEU 66 -8.332 -14.560 -17.071 485 HD13 LEU 66 3HD1 LEU 66 -8.194 -12.880 -16.544 486 HD21 LEU 66 3HD2 LEU 66 -10.614 -14.815 -16.031 487 HD22 LEU 66 1HD2 LEU 66 -11.920 -13.715 -16.468 488 HD23 LEU 66 2HD2 LEU 66 -10.606 -13.153 -15.432 489 H GLU 67 H GLU 67 -10.725 -8.469 -16.225 490 HA GLU 67 HA GLU 67 -11.189 -7.105 -18.660 491 HB2 GLU 67 2HB GLU 67 -10.933 -5.950 -15.849 492 HB3 GLU 67 1HB GLU 67 -11.560 -5.082 -17.248 493 HG2 GLU 67 2HG GLU 67 -13.472 -5.742 -16.051 494 HG3 GLU 67 1HG GLU 67 -13.373 -6.891 -17.377 495 H HIS 68 H HIS 68 -9.626 -6.503 -20.011 496 HA HIS 68 HA HIS 68 -7.683 -5.792 -20.922 497 HB2 HIS 68 2HB HIS 68 -7.498 -4.063 -18.413 498 HB3 HIS 68 1HB HIS 68 -6.557 -3.830 -19.882 499 HD1 HIS 68 HD1 HIS 68 -7.684 -2.571 -21.811 500 HD2 HIS 68 HD2 HIS 68 -10.264 -3.362 -18.645 501 HE1 HIS 68 HE1 HIS 68 -9.745 -1.215 -22.257 502 HE2 HIS 68 HE2 HIS 68 -11.345 -1.839 -20.433 503 H HIS 69 H HIS 69 -7.536 -8.227 -19.447 504 HA HIS 69 HA HIS 69 -5.327 -8.252 -17.634 505 HB2 HIS 69 2HB HIS 69 -7.209 -9.957 -17.662 506 HB3 HIS 69 1HB HIS 69 -6.490 -10.659 -19.100 507 HD1 HIS 69 HD1 HIS 69 -6.150 -10.500 -15.413 508 HD2 HIS 69 HD2 HIS 69 -4.020 -12.062 -18.625 509 HE1 HIS 69 HE1 HIS 69 -4.514 -12.126 -14.417 510 HE2 HIS 69 HE2 HIS 69 -3.379 -13.184 -16.391 511 H HIS 70 H HIS 70 -3.589 -7.314 -18.647 512 HA HIS 70 HA HIS 70 -2.416 -8.452 -21.062 513 HB2 HIS 70 2HB HIS 70 -0.632 -6.668 -20.702 514 HB3 HIS 70 1HB HIS 70 -2.260 -6.056 -20.953 515 HD1 HIS 70 HD1 HIS 70 0.473 -6.201 -18.427 516 HD2 HIS 70 HD2 HIS 70 -3.406 -4.756 -18.715 517 HE1 HIS 70 HE1 HIS 70 0.173 -4.681 -16.457 518 HE2 HIS 70 HE2 HIS 70 -2.238 -3.981 -16.543 519 H HIS 71 H HIS 71 -1.051 -10.111 -20.988 520 HA HIS 71 HA HIS 71 -0.040 -11.239 -18.557 521 HB2 HIS 71 2HB HIS 71 0.984 -12.937 -19.978 522 HB3 HIS 71 1HB HIS 71 -0.640 -12.613 -20.561 523 HD1 HIS 71 HD1 HIS 71 -0.871 -11.634 -22.936 524 HD2 HIS 71 HD2 HIS 71 3.080 -12.166 -21.744 525 HE1 HIS 71 HE1 HIS 71 0.514 -11.270 -24.998 526 HE2 HIS 71 HE2 HIS 71 2.892 -11.402 -24.209 527 H HIS 72 H HIS 72 2.183 -11.353 -17.862 528 HA HIS 72 HA HIS 72 3.855 -9.128 -18.725 529 HB2 HIS 72 2HB HIS 72 3.691 -9.778 -16.296 530 HB3 HIS 72 1HB HIS 72 4.522 -11.287 -16.670 531 HD1 HIS 72 HD1 HIS 72 5.150 -7.537 -17.002 532 HD2 HIS 72 HD2 HIS 72 7.248 -11.077 -16.403 533 HE1 HIS 72 HE1 HIS 72 7.542 -6.855 -16.674 534 HE2 HIS 72 HE2 HIS 72 8.810 -9.013 -16.463 535 H HIS 73 H HIS 73 5.485 -9.274 -20.096 536 HA HIS 73 HA HIS 73 6.163 -11.759 -21.446 537 HB2 HIS 73 2HB HIS 73 5.865 -9.796 -22.853 538 HB3 HIS 73 1HB HIS 73 7.001 -8.852 -21.896 539 HD1 HIS 73 HD1 HIS 73 9.490 -9.119 -22.423 540 HD2 HIS 73 HD2 HIS 73 7.085 -11.688 -24.638 541 HE1 HIS 73 HE1 HIS 73 10.991 -10.104 -24.181 542 HE2 HIS 73 HE2 HIS 73 9.496 -11.574 -25.565 Start of MODEL 12 1 H1 MET 1 1H MET 1 6.139 10.360 -0.053 2 H2 MET 1 2H MET 1 6.518 11.787 -0.872 3 H3 MET 1 3H MET 1 7.733 10.912 -0.095 4 HA MET 1 HA MET 1 7.813 10.599 -2.468 5 HB2 MET 1 2HB MET 1 7.884 8.131 -2.435 6 HB3 MET 1 1HB MET 1 8.597 8.806 -0.981 7 HG2 MET 1 2HG MET 1 6.527 8.284 0.266 8 HG3 MET 1 1HG MET 1 5.836 7.583 -1.195 9 HE1 MET 1 3HE MET 1 8.567 7.207 1.625 10 HE2 MET 1 1HE MET 1 9.573 7.282 0.174 11 HE3 MET 1 2HE MET 1 9.439 5.774 1.078 12 H LEU 2 H LEU 2 6.689 10.582 -4.335 13 HA LEU 2 HA LEU 2 3.803 10.200 -4.436 14 HB2 LEU 2 2HB LEU 2 4.908 11.936 -5.839 15 HB3 LEU 2 1HB LEU 2 5.880 10.701 -6.617 16 HG LEU 2 HG LEU 2 3.674 9.697 -7.493 17 HD11 LEU 2 1HD1 LEU 2 2.549 12.374 -6.652 18 HD12 LEU 2 2HD1 LEU 2 2.131 10.803 -5.971 19 HD13 LEU 2 3HD1 LEU 2 1.731 11.163 -7.647 20 HD21 LEU 2 3HD2 LEU 2 3.544 11.224 -9.393 21 HD22 LEU 2 1HD2 LEU 2 5.221 10.924 -8.935 22 HD23 LEU 2 2HD2 LEU 2 4.448 12.449 -8.494 23 H VAL 3 H VAL 3 3.060 8.137 -4.440 24 HA VAL 3 HA VAL 3 4.652 5.924 -5.630 25 HB VAL 3 HB VAL 3 3.393 4.401 -4.122 26 HG11 VAL 3 1HG1 VAL 3 4.448 5.076 -1.993 27 HG12 VAL 3 2HG1 VAL 3 4.727 6.696 -2.639 28 HG13 VAL 3 3HG1 VAL 3 5.539 5.304 -3.361 29 HG21 VAL 3 3HG2 VAL 3 1.285 5.665 -3.895 30 HG22 VAL 3 1HG2 VAL 3 2.113 6.917 -2.962 31 HG23 VAL 3 2HG2 VAL 3 1.948 5.284 -2.307 32 H THR 4 H THR 4 3.239 4.100 -6.532 33 HA THR 4 HA THR 4 0.986 5.237 -8.094 34 HB THR 4 HB THR 4 2.807 2.909 -8.865 35 HG1 THR 4 HG1 THR 4 3.236 5.561 -8.940 36 HG21 THR 4 3HG2 THR 4 1.848 3.207 -11.126 37 HG22 THR 4 1HG2 THR 4 0.789 4.479 -10.522 38 HG23 THR 4 2HG2 THR 4 0.579 2.817 -9.960 39 H ILE 5 H ILE 5 -0.780 4.662 -6.946 40 HA ILE 5 HA ILE 5 -1.140 1.877 -5.994 41 HB ILE 5 HB ILE 5 -2.576 4.427 -5.115 42 HG12 ILE 5 2HG1 ILE 5 -0.506 2.768 -3.600 43 HG13 ILE 5 1HG1 ILE 5 -0.183 4.313 -4.377 44 HG21 ILE 5 1HG2 ILE 5 -3.582 3.039 -3.329 45 HG22 ILE 5 2HG2 ILE 5 -2.812 1.603 -4.005 46 HG23 ILE 5 3HG2 ILE 5 -4.045 2.461 -4.932 47 HD11 ILE 5 3HD1 ILE 5 -1.753 5.405 -2.846 48 HD12 ILE 5 1HD1 ILE 5 -0.442 4.588 -1.999 49 HD13 ILE 5 2HD1 ILE 5 -2.045 3.856 -2.050 50 H ASN 6 H ASN 6 -2.355 0.688 -7.339 51 HA ASN 6 HA ASN 6 -4.013 -0.091 -8.666 52 HB2 ASN 6 2HB ASN 6 -5.479 2.378 -7.631 53 HB3 ASN 6 1HB ASN 6 -6.254 1.157 -8.633 54 HD21 ASN 6 1HD2 ASN 6 -6.656 2.039 -5.766 55 HD22 ASN 6 2HD2 ASN 6 -6.648 0.556 -4.879 56 H GLY 7 H GLY 7 -1.964 1.770 -9.749 57 HA2 GLY 7 2HA GLY 7 -1.446 2.279 -11.967 58 HA3 GLY 7 1HA GLY 7 -3.143 2.181 -12.402 59 H GLU 8 H GLU 8 -3.069 4.036 -9.708 60 HA GLU 8 HA GLU 8 -2.934 6.617 -11.158 61 HB2 GLU 8 2HB GLU 8 -4.333 5.874 -8.531 62 HB3 GLU 8 1HB GLU 8 -4.340 7.475 -9.272 63 HG2 GLU 8 2HG GLU 8 -5.579 6.598 -11.200 64 HG3 GLU 8 1HG GLU 8 -5.532 4.978 -10.511 65 H GLN 9 H GLN 9 -1.815 8.378 -10.004 66 HA GLN 9 HA GLN 9 0.277 7.421 -8.132 67 HB2 GLN 9 2HB GLN 9 0.231 9.874 -9.937 68 HB3 GLN 9 1HB GLN 9 1.524 9.499 -8.799 69 HG2 GLN 9 2HG GLN 9 1.997 7.418 -10.029 70 HG3 GLN 9 1HG GLN 9 0.711 7.800 -11.176 71 HE21 GLN 9 1HE2 GLN 9 1.010 9.568 -12.612 72 HE22 GLN 9 2HE2 GLN 9 2.585 10.184 -12.958 73 H ARG 10 H ARG 10 0.471 8.291 -6.140 74 HA ARG 10 HA ARG 10 -1.142 10.593 -5.286 75 HB2 ARG 10 2HB ARG 10 -2.585 8.708 -4.748 76 HB3 ARG 10 1HB ARG 10 -1.245 7.825 -4.016 77 HG2 ARG 10 2HG ARG 10 -1.109 9.519 -2.213 78 HG3 ARG 10 1HG ARG 10 -2.437 10.416 -2.950 79 HD2 ARG 10 2HD ARG 10 -2.674 7.564 -1.972 80 HD3 ARG 10 1HD ARG 10 -3.063 8.979 -0.992 81 HE ARG 10 HE ARG 10 -4.412 8.651 -3.576 82 HH11 ARG 10 1HH1 ARG 10 -4.667 8.523 -0.042 83 HH12 ARG 10 2HH1 ARG 10 -6.410 8.554 -0.071 84 HH21 ARG 10 2HH2 ARG 10 -6.673 8.745 -3.560 85 HH22 ARG 10 1HH2 ARG 10 -7.534 8.677 -2.051 86 H GLU 11 H GLU 11 0.022 11.894 -3.980 87 HA GLU 11 HA GLU 11 2.692 11.156 -3.121 88 HB2 GLU 11 2HB GLU 11 2.871 13.516 -2.361 89 HB3 GLU 11 1HB GLU 11 2.319 13.416 -4.026 90 HG2 GLU 11 2HG GLU 11 0.004 13.844 -3.283 91 HG3 GLU 11 1HG GLU 11 0.568 13.953 -1.617 92 H VAL 12 H VAL 12 3.190 10.369 -1.187 93 HA VAL 12 HA VAL 12 1.410 10.650 1.144 94 HB VAL 12 HB VAL 12 1.677 8.270 1.760 95 HG11 VAL 12 1HG1 VAL 12 0.435 8.578 -0.995 96 HG12 VAL 12 2HG1 VAL 12 -0.355 8.906 0.549 97 HG13 VAL 12 3HG1 VAL 12 0.127 7.260 0.142 98 HG21 VAL 12 3HG2 VAL 12 3.013 7.884 -0.947 99 HG22 VAL 12 1HG2 VAL 12 2.564 6.592 0.175 100 HG23 VAL 12 2HG2 VAL 12 3.799 7.770 0.627 101 H GLN 13 H GLN 13 2.456 10.095 3.173 102 HA GLN 13 HA GLN 13 5.408 10.168 3.239 103 HB2 GLN 13 2HB GLN 13 5.320 11.712 5.175 104 HB3 GLN 13 1HB GLN 13 4.591 12.452 3.755 105 HG2 GLN 13 2HG GLN 13 2.363 12.092 4.631 106 HG3 GLN 13 1HG GLN 13 2.990 11.141 5.973 107 HE21 GLN 13 1HE2 GLN 13 5.220 12.952 6.556 108 HE22 GLN 13 2HE2 GLN 13 4.517 14.354 7.277 109 H SER 14 H SER 14 3.394 8.066 3.384 110 HA SER 14 HA SER 14 2.518 7.315 5.898 111 HB2 SER 14 2HB SER 14 3.154 5.527 3.521 112 HB3 SER 14 1HB SER 14 2.057 5.142 4.854 113 HG SER 14 HG SER 14 0.989 7.232 4.141 114 H ALA 15 H ALA 15 5.415 6.229 4.196 115 HA ALA 15 HA ALA 15 7.396 5.368 4.777 116 HB1 ALA 15 3HB ALA 15 6.603 5.595 7.700 117 HB2 ALA 15 1HB ALA 15 7.430 6.840 6.760 118 HB3 ALA 15 2HB ALA 15 8.223 5.292 7.064 119 H SER 16 H SER 16 4.785 3.991 6.777 120 HA SER 16 HA SER 16 5.663 1.242 6.092 121 HB2 SER 16 2HB SER 16 3.813 2.176 8.347 122 HB3 SER 16 1HB SER 16 4.313 0.509 8.036 123 HG SER 16 HG SER 16 6.030 2.669 8.669 124 H VAL 17 H VAL 17 4.111 -0.212 5.368 125 HA VAL 17 HA VAL 17 2.153 0.779 3.577 126 HB VAL 17 HB VAL 17 2.648 -2.068 4.573 127 HG11 VAL 17 1HG1 VAL 17 0.387 -1.916 3.650 128 HG12 VAL 17 2HG1 VAL 17 1.430 -2.835 2.563 129 HG13 VAL 17 3HG1 VAL 17 1.010 -1.163 2.180 130 HG21 VAL 17 3HG2 VAL 17 3.893 -2.382 2.458 131 HG22 VAL 17 1HG2 VAL 17 4.598 -1.080 3.421 132 HG23 VAL 17 2HG2 VAL 17 3.595 -0.696 2.022 133 H ALA 18 H ALA 18 1.996 -0.243 6.941 134 HA ALA 18 HA ALA 18 -0.787 -0.503 7.320 135 HB1 ALA 18 3HB ALA 18 -0.312 -0.035 9.706 136 HB2 ALA 18 1HB ALA 18 1.314 0.515 9.276 137 HB3 ALA 18 2HB ALA 18 0.856 -1.170 9.028 138 H ALA 19 H ALA 19 1.328 2.289 7.918 139 HA ALA 19 HA ALA 19 -0.603 4.234 8.448 140 HB1 ALA 19 3HB ALA 19 2.175 4.591 7.271 141 HB2 ALA 19 1HB ALA 19 1.783 4.484 8.989 142 HB3 ALA 19 2HB ALA 19 1.207 5.854 8.036 143 H LEU 20 H LEU 20 0.700 3.034 5.418 144 HA LEU 20 HA LEU 20 -0.343 4.940 3.632 145 HB2 LEU 20 2HB LEU 20 1.405 3.267 3.049 146 HB3 LEU 20 1HB LEU 20 0.216 1.982 3.178 147 HG LEU 20 HG LEU 20 -1.025 2.946 1.242 148 HD11 LEU 20 1HD1 LEU 20 -0.022 4.697 -0.150 149 HD12 LEU 20 2HD1 LEU 20 1.251 4.937 1.052 150 HD13 LEU 20 3HD1 LEU 20 -0.432 5.287 1.459 151 HD21 LEU 20 3HD2 LEU 20 0.544 2.256 -0.498 152 HD22 LEU 20 1HD2 LEU 20 0.615 1.161 0.881 153 HD23 LEU 20 2HD2 LEU 20 1.891 2.360 0.641 154 H MET 21 H MET 21 -1.664 1.732 4.613 155 HA MET 21 HA MET 21 -4.069 1.946 3.115 156 HB2 MET 21 2HB MET 21 -3.474 0.194 5.544 157 HB3 MET 21 1HB MET 21 -4.843 -0.013 4.451 158 HG2 MET 21 2HG MET 21 -1.924 -0.272 3.692 159 HG3 MET 21 1HG MET 21 -3.050 -1.605 3.942 160 HE1 MET 21 3HE MET 21 -4.783 -2.426 2.183 161 HE2 MET 21 1HE MET 21 -5.368 -1.432 0.850 162 HE3 MET 21 2HE MET 21 -5.689 -0.947 2.513 163 H THR 22 H THR 22 -3.190 3.091 6.298 164 HA THR 22 HA THR 22 -5.837 3.715 7.223 165 HB THR 22 HB THR 22 -3.160 4.821 8.184 166 HG1 THR 22 HG1 THR 22 -3.563 2.443 8.211 167 HG21 THR 22 3HG2 THR 22 -4.340 5.215 10.333 168 HG22 THR 22 1HG2 THR 22 -5.852 4.680 9.606 169 HG23 THR 22 2HG2 THR 22 -5.071 6.157 9.031 170 H GLU 23 H GLU 23 -3.260 5.518 5.574 171 HA GLU 23 HA GLU 23 -4.472 8.079 5.472 172 HB2 GLU 23 2HB GLU 23 -2.038 7.469 4.968 173 HB3 GLU 23 1HB GLU 23 -2.564 6.833 3.420 174 HG2 GLU 23 2HG GLU 23 -2.868 9.729 4.289 175 HG3 GLU 23 1HG GLU 23 -1.527 9.114 3.330 176 H LEU 24 H LEU 24 -4.532 5.284 3.329 177 HA LEU 24 HA LEU 24 -6.236 6.338 1.294 178 HB2 LEU 24 2HB LEU 24 -5.461 3.481 2.024 179 HB3 LEU 24 1HB LEU 24 -6.267 3.938 0.531 180 HG LEU 24 HG LEU 24 -3.521 4.986 1.307 181 HD11 LEU 24 1HD1 LEU 24 -4.076 2.615 -0.493 182 HD12 LEU 24 2HD1 LEU 24 -3.404 2.541 1.133 183 HD13 LEU 24 3HD1 LEU 24 -2.507 3.340 -0.151 184 HD21 LEU 24 3HD2 LEU 24 -4.962 4.957 -1.362 185 HD22 LEU 24 1HD2 LEU 24 -3.326 5.553 -1.064 186 HD23 LEU 24 2HD2 LEU 24 -4.700 6.362 -0.320 187 H ASP 25 H ASP 25 -6.867 5.233 4.439 188 HA ASP 25 HA ASP 25 -8.641 4.648 5.684 189 HB2 ASP 25 2HB ASP 25 -10.309 5.736 3.381 190 HB3 ASP 25 1HB ASP 25 -10.935 5.348 4.981 191 H CYS 26 H CYS 26 -7.559 2.884 3.455 192 HA CYS 26 HA CYS 26 -9.705 0.912 3.103 193 HB2 CYS 26 2HB CYS 26 -6.905 1.038 1.885 194 HB3 CYS 26 1HB CYS 26 -8.199 -0.074 1.428 195 HG CYS 26 HG CYS 26 -9.390 2.939 1.149 196 H THR 27 H THR 27 -8.613 1.382 5.701 197 HA THR 27 HA THR 27 -7.203 -1.162 6.256 198 HB THR 27 HB THR 27 -5.923 0.877 6.925 199 HG1 THR 27 HG1 THR 27 -5.291 -0.675 8.216 200 HG21 THR 27 3HG2 THR 27 -8.159 1.355 8.943 201 HG22 THR 27 1HG2 THR 27 -7.817 2.368 7.536 202 HG23 THR 27 2HG2 THR 27 -6.635 2.241 8.837 203 H ASP 28 H ASP 28 -10.047 0.778 6.880 204 HA ASP 28 HA ASP 28 -10.926 -0.722 9.205 205 HB2 ASP 28 2HB ASP 28 -11.393 1.710 9.011 206 HB3 ASP 28 1HB ASP 28 -12.350 1.425 7.560 207 H GLY 29 H GLY 29 -10.984 -2.842 8.286 208 HA2 GLY 29 2HA GLY 29 -13.115 -4.234 7.962 209 HA3 GLY 29 1HA GLY 29 -13.207 -3.413 6.405 210 H HIS 30 H HIS 30 -13.169 -5.554 5.512 211 HA HIS 30 HA HIS 30 -10.755 -7.181 5.722 212 HB2 HIS 30 2HB HIS 30 -13.264 -7.593 4.024 213 HB3 HIS 30 1HB HIS 30 -11.946 -8.745 4.175 214 HD1 HIS 30 HD1 HIS 30 -12.066 -10.385 6.064 215 HD2 HIS 30 HD2 HIS 30 -14.824 -7.297 6.469 216 HE1 HIS 30 HE1 HIS 30 -13.636 -11.108 7.891 217 HE2 HIS 30 HE2 HIS 30 -15.407 -9.324 7.949 218 H TYR 31 H TYR 31 -9.327 -5.512 4.832 219 HA TYR 31 HA TYR 31 -9.398 -5.398 1.862 220 HB2 TYR 31 2HB TYR 31 -8.165 -3.366 3.779 221 HB3 TYR 31 1HB TYR 31 -8.087 -3.296 2.022 222 HD1 TYR 31 HD1 TYR 31 -10.348 -3.161 0.724 223 HD2 TYR 31 HD2 TYR 31 -9.985 -2.310 4.896 224 HE1 TYR 31 HE1 TYR 31 -12.453 -1.885 0.656 225 HE2 TYR 31 HE2 TYR 31 -12.078 -1.040 4.822 226 HH TYR 31 HH TYR 31 -14.270 -1.235 2.334 227 H ALA 32 H ALA 32 -7.408 -5.444 0.800 228 HA ALA 32 HA ALA 32 -5.050 -6.442 2.251 229 HB1 ALA 32 3HB ALA 32 -6.123 -7.576 -0.379 230 HB2 ALA 32 1HB ALA 32 -6.121 -8.405 1.180 231 HB3 ALA 32 2HB ALA 32 -4.595 -8.022 0.387 232 H VAL 33 H VAL 33 -3.123 -5.887 1.227 233 HA VAL 33 HA VAL 33 -3.250 -3.839 -0.909 234 HB VAL 33 HB VAL 33 -2.668 -2.828 1.291 235 HG11 VAL 33 1HG1 VAL 33 -0.657 -3.417 2.495 236 HG12 VAL 33 2HG1 VAL 33 -0.235 -4.629 1.288 237 HG13 VAL 33 3HG1 VAL 33 -1.664 -4.848 2.302 238 HG21 VAL 33 3HG2 VAL 33 -0.319 -2.847 -0.649 239 HG22 VAL 33 1HG2 VAL 33 -0.608 -1.634 0.607 240 HG23 VAL 33 2HG2 VAL 33 -1.736 -1.797 -0.741 241 H ALA 34 H ALA 34 -1.595 -3.960 -2.403 242 HA ALA 34 HA ALA 34 0.128 -6.377 -2.355 243 HB1 ALA 34 3HB ALA 34 -1.791 -6.661 -3.884 244 HB2 ALA 34 1HB ALA 34 -0.268 -6.587 -4.768 245 HB3 ALA 34 2HB ALA 34 -1.337 -5.186 -4.740 246 H LEU 35 H LEU 35 2.002 -5.419 -1.791 247 HA LEU 35 HA LEU 35 2.947 -2.919 -3.034 248 HB2 LEU 35 2HB LEU 35 3.235 -3.321 -0.561 249 HB3 LEU 35 1HB LEU 35 4.244 -4.709 -0.931 250 HG LEU 35 HG LEU 35 5.785 -2.994 -2.187 251 HD11 LEU 35 1HD1 LEU 35 4.289 -1.092 -2.221 252 HD12 LEU 35 2HD1 LEU 35 5.744 -0.697 -1.312 253 HD13 LEU 35 3HD1 LEU 35 4.240 -1.048 -0.456 254 HD21 LEU 35 3HD2 LEU 35 5.641 -2.908 0.836 255 HD22 LEU 35 1HD2 LEU 35 7.041 -2.504 -0.163 256 HD23 LEU 35 2HD2 LEU 35 6.432 -4.157 -0.131 257 H ASN 36 H ASN 36 4.166 -3.025 -4.826 258 HA ASN 36 HA ASN 36 5.301 -3.777 -6.660 259 HB2 ASN 36 2HB ASN 36 6.257 -6.304 -5.233 260 HB3 ASN 36 1HB ASN 36 7.057 -5.412 -6.512 261 HD21 ASN 36 1HD2 ASN 36 6.606 -2.836 -4.916 262 HD22 ASN 36 2HD2 ASN 36 7.820 -2.905 -3.696 263 H TYR 37 H TYR 37 2.575 -4.526 -5.883 264 HA TYR 37 HA TYR 37 0.791 -5.708 -6.452 265 HB2 TYR 37 2HB TYR 37 2.485 -7.045 -8.591 266 HB3 TYR 37 1HB TYR 37 0.727 -7.131 -8.470 267 HD1 TYR 37 HD1 TYR 37 -0.472 -4.717 -8.310 268 HD2 TYR 37 HD2 TYR 37 3.349 -5.455 -10.068 269 HE1 TYR 37 HE1 TYR 37 -0.663 -2.636 -9.607 270 HE2 TYR 37 HE2 TYR 37 3.169 -3.383 -11.344 271 HH TYR 37 HH TYR 37 0.951 -0.987 -10.675 272 H ASP 38 H ASP 38 3.239 -6.995 -4.825 273 HA ASP 38 HA ASP 38 2.214 -9.746 -4.617 274 HB2 ASP 38 2HB ASP 38 4.673 -9.445 -4.640 275 HB3 ASP 38 1HB ASP 38 4.583 -8.375 -3.247 276 H VAL 39 H VAL 39 0.868 -10.355 -3.006 277 HA VAL 39 HA VAL 39 -0.531 -8.409 -1.500 278 HB VAL 39 HB VAL 39 -0.638 -11.433 -1.137 279 HG11 VAL 39 1HG1 VAL 39 -2.933 -11.048 -0.290 280 HG12 VAL 39 2HG1 VAL 39 -2.699 -9.306 -0.445 281 HG13 VAL 39 3HG1 VAL 39 -1.729 -10.228 0.706 282 HG21 VAL 39 3HG2 VAL 39 -2.526 -11.405 -2.742 283 HG22 VAL 39 1HG2 VAL 39 -1.006 -10.893 -3.485 284 HG23 VAL 39 2HG2 VAL 39 -2.220 -9.693 -3.045 285 H VAL 40 H VAL 40 0.187 -7.484 0.260 286 HA VAL 40 HA VAL 40 2.121 -8.720 2.069 287 HB VAL 40 HB VAL 40 0.857 -5.939 2.169 288 HG11 VAL 40 1HG1 VAL 40 2.630 -5.358 3.798 289 HG12 VAL 40 2HG1 VAL 40 3.194 -7.029 3.785 290 HG13 VAL 40 3HG1 VAL 40 1.589 -6.648 4.409 291 HG21 VAL 40 3HG2 VAL 40 3.603 -6.768 1.166 292 HG22 VAL 40 1HG2 VAL 40 3.018 -5.108 1.304 293 HG23 VAL 40 2HG2 VAL 40 2.252 -6.223 0.168 294 HA PRO 41 HA PRO 41 -1.376 -10.235 4.648 295 HB2 PRO 41 2HB PRO 41 0.240 -11.040 6.785 296 HB3 PRO 41 1HB PRO 41 -0.043 -12.030 5.339 297 HG2 PRO 41 2HG PRO 41 2.277 -10.221 5.953 298 HG3 PRO 41 1HG PRO 41 2.288 -11.867 5.276 299 HD2 PRO 41 2HD PRO 41 2.595 -9.755 3.667 300 HD3 PRO 41 1HD PRO 41 1.608 -11.139 3.141 301 H ARG 42 H ARG 42 -2.517 -9.311 6.391 302 HA ARG 42 HA ARG 42 -2.178 -6.567 6.703 303 HB2 ARG 42 2HB ARG 42 -4.385 -7.657 6.901 304 HB3 ARG 42 1HB ARG 42 -3.897 -8.401 8.426 305 HG2 ARG 42 2HG ARG 42 -3.669 -6.168 9.455 306 HG3 ARG 42 1HG ARG 42 -4.095 -5.411 7.922 307 HD2 ARG 42 2HD ARG 42 -6.344 -6.409 8.058 308 HD3 ARG 42 1HD ARG 42 -5.908 -7.171 9.594 309 HE ARG 42 HE ARG 42 -5.574 -4.890 10.492 310 HH11 ARG 42 1HH1 ARG 42 -7.699 -5.256 7.715 311 HH12 ARG 42 2HH1 ARG 42 -8.581 -3.804 8.045 312 HH21 ARG 42 2HH2 ARG 42 -6.719 -2.961 10.882 313 HH22 ARG 42 1HH2 ARG 42 -8.025 -2.517 9.825 314 H GLY 43 H GLY 43 -1.319 -9.180 8.907 315 HA2 GLY 43 2HA GLY 43 -0.551 -7.707 11.167 316 HA3 GLY 43 1HA GLY 43 0.047 -9.299 10.739 317 H LYS 44 H LYS 44 1.134 -8.106 8.121 318 HA LYS 44 HA LYS 44 3.650 -7.070 9.272 319 HB2 LYS 44 2HB LYS 44 3.101 -8.598 6.696 320 HB3 LYS 44 1HB LYS 44 4.622 -7.750 6.981 321 HG2 LYS 44 2HG LYS 44 4.843 -9.112 9.118 322 HG3 LYS 44 1HG LYS 44 3.497 -10.091 8.530 323 HD2 LYS 44 2HD LYS 44 4.776 -10.848 6.628 324 HD3 LYS 44 1HD LYS 44 6.046 -9.658 6.928 325 HE2 LYS 44 2HE LYS 44 5.369 -12.018 8.724 326 HE3 LYS 44 1HE LYS 44 6.759 -11.901 7.644 327 HZ1 LYS 44 3HZ LYS 44 7.327 -11.396 9.949 328 HZ2 LYS 44 1HZ LYS 44 6.248 -10.094 9.957 329 HZ3 LYS 44 2HZ LYS 44 7.608 -10.067 8.950 330 H TRP 45 H TRP 45 0.954 -5.781 7.870 331 HA TRP 45 HA TRP 45 1.789 -3.986 5.917 332 HB2 TRP 45 2HB TRP 45 -0.282 -3.637 8.119 333 HB3 TRP 45 1HB TRP 45 0.010 -2.371 6.936 334 HD1 TRP 45 HD1 TRP 45 0.268 -5.486 5.044 335 HE1 TRP 45 HE1 TRP 45 -1.943 -6.060 3.874 336 HE3 TRP 45 HE3 TRP 45 -2.846 -2.265 7.534 337 HZ2 TRP 45 HZ2 TRP 45 -4.640 -5.245 3.956 338 HZ3 TRP 45 HZ3 TRP 45 -5.237 -2.224 6.922 339 HH2 TRP 45 HH2 TRP 45 -6.115 -3.688 5.165 340 H ASP 46 H ASP 46 2.133 -3.670 9.431 341 HA ASP 46 HA ASP 46 3.340 -1.079 9.487 342 HB2 ASP 46 2HB ASP 46 2.292 -1.938 11.502 343 HB3 ASP 46 1HB ASP 46 3.345 -3.344 11.525 344 H GLU 47 H GLU 47 4.644 -4.388 9.592 345 HA GLU 47 HA GLU 47 7.353 -3.718 10.076 346 HB2 GLU 47 2HB GLU 47 6.173 -6.261 8.879 347 HB3 GLU 47 1HB GLU 47 7.816 -6.099 9.497 348 HG2 GLU 47 2HG GLU 47 6.887 -5.668 11.765 349 HG3 GLU 47 1HG GLU 47 5.260 -5.906 11.122 350 H THR 48 H THR 48 5.472 -3.805 7.191 351 HA THR 48 HA THR 48 7.775 -4.087 5.385 352 HB THR 48 HB THR 48 4.791 -4.043 4.730 353 HG1 THR 48 HG1 THR 48 5.661 -5.841 6.087 354 HG21 THR 48 3HG2 THR 48 7.153 -4.999 3.063 355 HG22 THR 48 1HG2 THR 48 6.280 -3.484 2.805 356 HG23 THR 48 2HG2 THR 48 5.455 -5.028 2.579 357 HA PRO 49 HA PRO 49 7.452 0.480 5.005 358 HB2 PRO 49 2HB PRO 49 9.767 0.907 3.636 359 HB3 PRO 49 1HB PRO 49 9.779 0.466 5.358 360 HG2 PRO 49 2HG PRO 49 10.211 -1.303 2.965 361 HG3 PRO 49 1HG PRO 49 11.147 -1.215 4.476 362 HD2 PRO 49 2HD PRO 49 9.229 -3.119 4.046 363 HD3 PRO 49 1HD PRO 49 9.611 -2.491 5.665 364 H VAL 50 H VAL 50 7.361 2.036 3.233 365 HA VAL 50 HA VAL 50 6.373 0.971 0.650 366 HB VAL 50 HB VAL 50 6.035 3.767 1.856 367 HG11 VAL 50 1HG1 VAL 50 5.890 3.790 -0.599 368 HG12 VAL 50 2HG1 VAL 50 4.317 4.123 0.130 369 HG13 VAL 50 3HG1 VAL 50 4.654 2.529 -0.547 370 HG21 VAL 50 3HG2 VAL 50 4.844 2.108 3.223 371 HG22 VAL 50 1HG2 VAL 50 4.019 1.494 1.786 372 HG23 VAL 50 2HG2 VAL 50 3.700 3.135 2.354 373 H THR 51 H THR 51 7.275 1.774 -1.324 374 HA THR 51 HA THR 51 9.900 3.146 -1.120 375 HB THR 51 HB THR 51 8.873 1.371 -3.386 376 HG1 THR 51 HG1 THR 51 9.300 0.326 -1.265 377 HG21 THR 51 3HG2 THR 51 10.632 2.975 -4.106 378 HG22 THR 51 1HG2 THR 51 11.215 1.307 -4.149 379 HG23 THR 51 2HG2 THR 51 11.694 2.376 -2.829 380 H ALA 52 H ALA 52 10.338 4.873 -2.582 381 HA ALA 52 HA ALA 52 8.200 6.579 -3.315 382 HB1 ALA 52 3HB ALA 52 10.444 7.416 -2.730 383 HB2 ALA 52 1HB ALA 52 9.966 7.989 -4.330 384 HB3 ALA 52 2HB ALA 52 11.120 6.658 -4.174 385 H GLY 53 H GLY 53 6.859 6.310 -5.008 386 HA2 GLY 53 2HA GLY 53 6.057 5.874 -7.116 387 HA3 GLY 53 1HA GLY 53 7.719 5.848 -7.689 388 H ASP 54 H ASP 54 6.173 3.818 -5.249 389 HA ASP 54 HA ASP 54 7.152 1.394 -6.492 390 HB2 ASP 54 2HB ASP 54 7.063 1.841 -3.962 391 HB3 ASP 54 1HB ASP 54 5.326 1.588 -4.064 392 H GLU 55 H GLU 55 5.863 -0.317 -7.256 393 HA GLU 55 HA GLU 55 3.329 0.429 -8.468 394 HB2 GLU 55 2HB GLU 55 4.961 -2.131 -8.667 395 HB3 GLU 55 1HB GLU 55 3.485 -1.814 -9.558 396 HG2 GLU 55 2HG GLU 55 5.191 -1.405 -11.114 397 HG3 GLU 55 1HG GLU 55 4.698 0.199 -10.583 398 H ILE 56 H ILE 56 2.129 0.641 -6.553 399 HA ILE 56 HA ILE 56 1.535 -1.706 -4.874 400 HB ILE 56 HB ILE 56 0.665 1.201 -4.477 401 HG12 ILE 56 2HG1 ILE 56 3.082 -0.188 -3.243 402 HG13 ILE 56 1HG1 ILE 56 3.159 1.000 -4.536 403 HG21 ILE 56 1HG2 ILE 56 -0.700 -0.408 -3.206 404 HG22 ILE 56 2HG2 ILE 56 0.296 0.561 -2.118 405 HG23 ILE 56 3HG2 ILE 56 0.761 -1.101 -2.490 406 HD11 ILE 56 3HD1 ILE 56 3.741 1.996 -2.434 407 HD12 ILE 56 1HD1 ILE 56 2.205 1.500 -1.721 408 HD13 ILE 56 2HD1 ILE 56 2.232 2.690 -3.026 409 H GLU 57 H GLU 57 -0.682 -2.331 -4.534 410 HA GLU 57 HA GLU 57 -2.839 -1.084 -6.065 411 HB2 GLU 57 2HB GLU 57 -1.936 -2.738 -7.664 412 HB3 GLU 57 1HB GLU 57 -2.042 -4.015 -6.453 413 HG2 GLU 57 2HG GLU 57 -4.491 -3.860 -6.460 414 HG3 GLU 57 1HG GLU 57 -4.429 -2.513 -7.596 415 H ILE 58 H ILE 58 -4.576 -0.987 -4.718 416 HA ILE 58 HA ILE 58 -4.653 -2.507 -2.235 417 HB ILE 58 HB ILE 58 -6.730 -0.590 -3.393 418 HG12 ILE 58 2HG1 ILE 58 -4.612 -0.017 -1.277 419 HG13 ILE 58 1HG1 ILE 58 -4.498 0.476 -2.964 420 HG21 ILE 58 1HG2 ILE 58 -7.630 -0.473 -1.079 421 HG22 ILE 58 2HG2 ILE 58 -6.480 -1.712 -0.576 422 HG23 ILE 58 3HG2 ILE 58 -7.741 -2.104 -1.747 423 HD11 ILE 58 3HD1 ILE 58 -6.535 1.837 -2.670 424 HD12 ILE 58 1HD1 ILE 58 -5.195 2.325 -1.637 425 HD13 ILE 58 2HD1 ILE 58 -6.538 1.413 -0.956 426 H LEU 59 H LEU 59 -5.125 -4.597 -2.547 427 HA LEU 59 HA LEU 59 -7.178 -5.523 -4.392 428 HB2 LEU 59 2HB LEU 59 -5.256 -6.849 -2.451 429 HB3 LEU 59 1HB LEU 59 -6.587 -7.770 -3.133 430 HG LEU 59 HG LEU 59 -4.487 -6.370 -4.837 431 HD11 LEU 59 1HD1 LEU 59 -3.484 -8.580 -5.196 432 HD12 LEU 59 2HD1 LEU 59 -4.584 -9.283 -4.006 433 HD13 LEU 59 3HD1 LEU 59 -3.386 -8.085 -3.507 434 HD21 LEU 59 3HD2 LEU 59 -6.608 -6.741 -5.980 435 HD22 LEU 59 1HD2 LEU 59 -6.592 -8.448 -5.521 436 HD23 LEU 59 2HD2 LEU 59 -5.368 -7.810 -6.629 437 H THR 60 H THR 60 -9.298 -5.349 -3.793 438 HA THR 60 HA THR 60 -10.048 -5.557 -0.954 439 HB THR 60 HB THR 60 -12.374 -5.031 -1.791 440 HG1 THR 60 HG1 THR 60 -12.217 -5.720 -3.939 441 HG21 THR 60 3HG2 THR 60 -11.969 -2.653 -2.320 442 HG22 THR 60 1HG2 THR 60 -10.266 -3.003 -2.608 443 HG23 THR 60 2HG2 THR 60 -10.941 -3.191 -0.987 444 HA PRO 61 HA PRO 61 -9.981 -9.942 -2.194 445 HB2 PRO 61 2HB PRO 61 -10.451 -11.005 0.343 446 HB3 PRO 61 1HB PRO 61 -8.863 -10.482 -0.253 447 HG2 PRO 61 2HG PRO 61 -10.785 -9.002 1.497 448 HG3 PRO 61 1HG PRO 61 -9.016 -9.123 1.619 449 HD2 PRO 61 2HD PRO 61 -10.211 -6.939 0.586 450 HD3 PRO 61 1HD PRO 61 -8.652 -7.529 -0.039 451 H ARG 62 H ARG 62 -11.576 -10.806 -3.211 452 HA ARG 62 HA ARG 62 -14.339 -10.079 -2.734 453 HB2 ARG 62 2HB ARG 62 -13.091 -11.768 -4.952 454 HB3 ARG 62 1HB ARG 62 -14.698 -11.039 -4.969 455 HG2 ARG 62 2HG ARG 62 -13.748 -8.804 -5.048 456 HG3 ARG 62 1HG ARG 62 -12.116 -9.444 -4.838 457 HD2 ARG 62 2HD ARG 62 -12.408 -10.678 -7.016 458 HD3 ARG 62 1HD ARG 62 -13.933 -9.812 -7.239 459 HE ARG 62 HE ARG 62 -12.435 -7.731 -6.991 460 HH11 ARG 62 1HH1 ARG 62 -11.393 -10.697 -8.609 461 HH12 ARG 62 2HH1 ARG 62 -10.272 -9.863 -9.639 462 HH21 ARG 62 2HH2 ARG 62 -10.922 -6.689 -8.308 463 HH22 ARG 62 1HH2 ARG 62 -10.006 -7.602 -9.468 464 H GLN 63 H GLN 63 -12.528 -13.138 -3.256 465 HA GLN 63 HA GLN 63 -12.409 -15.026 -2.071 466 HB2 GLN 63 2HB GLN 63 -12.996 -13.997 0.046 467 HB3 GLN 63 1HB GLN 63 -14.700 -13.969 -0.394 468 HG2 GLN 63 2HG GLN 63 -14.772 -16.432 -0.336 469 HG3 GLN 63 1HG GLN 63 -13.060 -16.478 0.094 470 HE21 GLN 63 1HE2 GLN 63 -16.275 -15.643 1.219 471 HE22 GLN 63 2HE2 GLN 63 -15.882 -15.589 2.900 472 H GLY 64 H GLY 64 -15.874 -14.217 -2.595 473 HA2 GLY 64 2HA GLY 64 -16.580 -16.850 -3.561 474 HA3 GLY 64 1HA GLY 64 -17.567 -15.394 -3.637 475 H GLY 65 H GLY 65 -14.891 -17.098 -5.205 476 HA2 GLY 65 2HA GLY 65 -14.339 -17.084 -7.503 477 HA3 GLY 65 1HA GLY 65 -15.270 -15.606 -7.725 478 H LEU 66 H LEU 66 -12.207 -16.687 -7.776 479 HA LEU 66 HA LEU 66 -11.018 -14.128 -6.951 480 HB2 LEU 66 2HB LEU 66 -10.839 -15.892 -5.087 481 HB3 LEU 66 1HB LEU 66 -9.814 -16.826 -6.154 482 HG LEU 66 HG LEU 66 -9.115 -14.001 -5.238 483 HD11 LEU 66 1HD1 LEU 66 -7.630 -14.991 -3.546 484 HD12 LEU 66 2HD1 LEU 66 -8.240 -16.601 -3.945 485 HD13 LEU 66 3HD1 LEU 66 -9.322 -15.389 -3.255 486 HD21 LEU 66 3HD2 LEU 66 -6.793 -14.581 -5.824 487 HD22 LEU 66 1HD2 LEU 66 -7.859 -14.691 -7.222 488 HD23 LEU 66 2HD2 LEU 66 -7.327 -16.160 -6.408 489 H GLU 67 H GLU 67 -10.327 -13.447 -8.926 490 HA GLU 67 HA GLU 67 -8.895 -15.257 -10.740 491 HB2 GLU 67 2HB GLU 67 -9.796 -12.356 -11.015 492 HB3 GLU 67 1HB GLU 67 -8.677 -13.093 -12.155 493 HG2 GLU 67 2HG GLU 67 -10.791 -13.250 -13.183 494 HG3 GLU 67 1HG GLU 67 -10.443 -14.869 -12.582 495 H HIS 68 H HIS 68 -6.727 -14.821 -11.395 496 HA HIS 68 HA HIS 68 -5.063 -13.936 -9.153 497 HB2 HIS 68 2HB HIS 68 -4.675 -16.156 -10.212 498 HB3 HIS 68 1HB HIS 68 -4.332 -15.371 -11.750 499 HD1 HIS 68 HD1 HIS 68 -2.929 -15.613 -8.234 500 HD2 HIS 68 HD2 HIS 68 -1.660 -14.705 -12.086 501 HE1 HIS 68 HE1 HIS 68 -0.436 -15.384 -8.090 502 HE2 HIS 68 HE2 HIS 68 0.312 -15.008 -10.459 503 H HIS 69 H HIS 69 -6.274 -12.558 -11.962 504 HA HIS 69 HA HIS 69 -5.875 -10.802 -13.294 505 HB2 HIS 69 2HB HIS 69 -5.161 -9.511 -11.286 506 HB3 HIS 69 1HB HIS 69 -3.514 -10.087 -11.488 507 HD1 HIS 69 HD1 HIS 69 -2.204 -9.128 -13.617 508 HD2 HIS 69 HD2 HIS 69 -5.842 -7.297 -12.824 509 HE1 HIS 69 HE1 HIS 69 -2.158 -6.967 -14.886 510 HE2 HIS 69 HE2 HIS 69 -4.433 -5.963 -14.512 511 H HIS 70 H HIS 70 -5.241 -11.253 -15.290 512 HA HIS 70 HA HIS 70 -3.118 -12.964 -16.057 513 HB2 HIS 70 2HB HIS 70 -4.572 -10.829 -17.697 514 HB3 HIS 70 1HB HIS 70 -3.539 -12.082 -18.378 515 HD1 HIS 70 HD1 HIS 70 -6.837 -11.451 -18.519 516 HD2 HIS 70 HD2 HIS 70 -4.797 -14.715 -16.952 517 HE1 HIS 70 HE1 HIS 70 -8.473 -13.356 -18.565 518 HE2 HIS 70 HE2 HIS 70 -7.225 -15.306 -17.580 519 H HIS 71 H HIS 71 -0.985 -12.540 -16.644 520 HA HIS 71 HA HIS 71 0.252 -10.170 -15.669 521 HB2 HIS 71 2HB HIS 71 1.402 -12.410 -15.741 522 HB3 HIS 71 1HB HIS 71 1.513 -12.268 -17.492 523 HD1 HIS 71 HD1 HIS 71 3.349 -11.502 -14.456 524 HD2 HIS 71 HD2 HIS 71 3.167 -9.889 -18.282 525 HE1 HIS 71 HE1 HIS 71 5.426 -10.119 -14.714 526 HE2 HIS 71 HE2 HIS 71 5.372 -9.312 -17.088 527 H HIS 72 H HIS 72 -0.758 -8.472 -16.735 528 HA HIS 72 HA HIS 72 -0.571 -8.008 -19.569 529 HB2 HIS 72 2HB HIS 72 -2.337 -6.923 -18.204 530 HB3 HIS 72 1HB HIS 72 -1.122 -6.064 -17.268 531 HD1 HIS 72 HD1 HIS 72 0.069 -4.059 -18.427 532 HD2 HIS 72 HD2 HIS 72 -2.926 -5.792 -20.736 533 HE1 HIS 72 HE1 HIS 72 -0.364 -2.438 -20.286 534 HE2 HIS 72 HE2 HIS 72 -2.257 -3.446 -21.599 535 H HIS 73 H HIS 73 0.944 -6.752 -20.661 536 HA HIS 73 HA HIS 73 3.130 -5.423 -19.311 537 HB2 HIS 73 2HB HIS 73 4.932 -6.736 -20.415 538 HB3 HIS 73 1HB HIS 73 3.993 -7.732 -19.313 539 HD1 HIS 73 HD1 HIS 73 5.152 -7.549 -22.787 540 HD2 HIS 73 HD2 HIS 73 2.173 -9.569 -20.701 541 HE1 HIS 73 HE1 HIS 73 4.411 -9.412 -24.298 542 HE2 HIS 73 HE2 HIS 73 2.640 -10.646 -22.999 Start of MODEL 13 1 H1 MET 1 1H MET 1 5.739 10.547 -0.621 2 H2 MET 1 2H MET 1 6.395 11.764 -1.593 3 H3 MET 1 3H MET 1 7.321 11.071 -0.362 4 HA MET 1 HA MET 1 7.995 10.253 -2.511 5 HB2 MET 1 2HB MET 1 6.614 8.237 -0.699 6 HB3 MET 1 1HB MET 1 7.649 7.759 -2.039 7 HG2 MET 1 2HG MET 1 9.556 8.869 -0.995 8 HG3 MET 1 1HG MET 1 8.532 9.420 0.331 9 HE1 MET 1 3HE MET 1 7.334 7.769 2.030 10 HE2 MET 1 1HE MET 1 7.539 6.018 1.999 11 HE3 MET 1 2HE MET 1 6.669 6.824 0.693 12 H LEU 2 H LEU 2 7.304 10.144 -4.596 13 HA LEU 2 HA LEU 2 4.470 9.908 -5.191 14 HB2 LEU 2 2HB LEU 2 5.883 11.487 -6.488 15 HB3 LEU 2 1HB LEU 2 6.846 10.144 -7.088 16 HG LEU 2 HG LEU 2 4.797 9.235 -8.250 17 HD11 LEU 2 1HD1 LEU 2 2.799 10.619 -8.504 18 HD12 LEU 2 2HD1 LEU 2 3.475 11.831 -7.414 19 HD13 LEU 2 3HD1 LEU 2 3.077 10.222 -6.808 20 HD21 LEU 2 3HD2 LEU 2 5.558 12.063 -9.040 21 HD22 LEU 2 1HD2 LEU 2 4.763 10.877 -10.082 22 HD23 LEU 2 2HD2 LEU 2 6.402 10.583 -9.504 23 H VAL 3 H VAL 3 3.699 7.923 -4.926 24 HA VAL 3 HA VAL 3 4.953 5.592 -6.280 25 HB VAL 3 HB VAL 3 3.885 4.133 -4.586 26 HG11 VAL 3 1HG1 VAL 3 5.313 4.670 -2.648 27 HG12 VAL 3 2HG1 VAL 3 5.592 6.290 -3.296 28 HG13 VAL 3 3HG1 VAL 3 6.186 4.874 -4.168 29 HG21 VAL 3 3HG2 VAL 3 1.940 5.537 -4.014 30 HG22 VAL 3 1HG2 VAL 3 2.997 6.693 -3.199 31 HG23 VAL 3 2HG2 VAL 3 2.810 5.057 -2.558 32 H THR 4 H THR 4 3.482 4.169 -7.345 33 HA THR 4 HA THR 4 1.013 5.374 -8.308 34 HB THR 4 HB THR 4 2.298 2.703 -9.035 35 HG1 THR 4 HG1 THR 4 3.314 5.002 -9.493 36 HG21 THR 4 3HG2 THR 4 0.928 2.865 -11.086 37 HG22 THR 4 1HG2 THR 4 0.195 4.347 -10.488 38 HG23 THR 4 2HG2 THR 4 -0.100 2.819 -9.646 39 H ILE 5 H ILE 5 -0.689 5.193 -6.921 40 HA ILE 5 HA ILE 5 -1.093 2.720 -5.358 41 HB ILE 5 HB ILE 5 -2.455 5.429 -5.037 42 HG12 ILE 5 2HG1 ILE 5 -0.326 4.092 -3.301 43 HG13 ILE 5 1HG1 ILE 5 -0.032 5.427 -4.408 44 HG21 ILE 5 1HG2 ILE 5 -3.943 3.581 -4.339 45 HG22 ILE 5 2HG2 ILE 5 -3.389 4.485 -2.930 46 HG23 ILE 5 3HG2 ILE 5 -2.668 2.920 -3.309 47 HD11 ILE 5 3HD1 ILE 5 -0.178 6.163 -2.106 48 HD12 ILE 5 1HD1 ILE 5 -1.817 5.533 -1.985 49 HD13 ILE 5 2HD1 ILE 5 -1.461 6.867 -3.084 50 H ASN 6 H ASN 6 -2.171 1.269 -6.559 51 HA ASN 6 HA ASN 6 -3.880 0.140 -7.504 52 HB2 ASN 6 2HB ASN 6 -5.183 1.304 -5.653 53 HB3 ASN 6 1HB ASN 6 -5.624 2.557 -6.809 54 HD21 ASN 6 1HD2 ASN 6 -7.831 2.115 -6.532 55 HD22 ASN 6 2HD2 ASN 6 -8.576 0.702 -7.188 56 H GLY 7 H GLY 7 -2.157 1.997 -9.041 57 HA2 GLY 7 2HA GLY 7 -1.978 2.300 -11.368 58 HA3 GLY 7 1HA GLY 7 -3.726 2.262 -11.520 59 H GLU 8 H GLU 8 -3.590 4.242 -9.051 60 HA GLU 8 HA GLU 8 -3.419 6.695 -10.679 61 HB2 GLU 8 2HB GLU 8 -4.608 6.280 -7.889 62 HB3 GLU 8 1HB GLU 8 -4.668 7.773 -8.820 63 HG2 GLU 8 2HG GLU 8 -5.982 5.160 -9.589 64 HG3 GLU 8 1HG GLU 8 -6.804 6.550 -8.884 65 H GLN 9 H GLN 9 -1.440 7.661 -10.591 66 HA GLN 9 HA GLN 9 0.469 7.066 -8.525 67 HB2 GLN 9 2HB GLN 9 0.668 9.236 -10.656 68 HB3 GLN 9 1HB GLN 9 1.991 8.600 -9.683 69 HG2 GLN 9 2HG GLN 9 1.621 6.370 -10.763 70 HG3 GLN 9 1HG GLN 9 0.430 7.125 -11.819 71 HE21 GLN 9 1HE2 GLN 9 2.102 9.629 -12.015 72 HE22 GLN 9 2HE2 GLN 9 3.377 9.211 -13.099 73 H ARG 10 H ARG 10 0.477 7.965 -6.596 74 HA ARG 10 HA ARG 10 -0.436 10.729 -6.118 75 HB2 ARG 10 2HB ARG 10 -2.303 9.282 -5.461 76 HB3 ARG 10 1HB ARG 10 -1.218 8.208 -4.577 77 HG2 ARG 10 2HG ARG 10 -0.712 10.112 -3.011 78 HG3 ARG 10 1HG ARG 10 -1.935 11.069 -3.846 79 HD2 ARG 10 2HD ARG 10 -3.680 9.568 -3.132 80 HD3 ARG 10 1HD ARG 10 -2.502 8.420 -2.482 81 HE ARG 10 HE ARG 10 -3.239 11.031 -1.340 82 HH11 ARG 10 2HH1 ARG 10 -1.377 8.071 -1.035 83 HH12 ARG 10 1HH1 ARG 10 -1.034 8.323 0.647 84 HH21 ARG 10 1HH2 ARG 10 -2.772 11.343 0.861 85 HH22 ARG 10 2HH2 ARG 10 -1.819 10.161 1.706 86 H GLU 11 H GLU 11 0.796 11.827 -4.583 87 HA GLU 11 HA GLU 11 3.256 10.624 -3.608 88 HB2 GLU 11 2HB GLU 11 3.789 12.849 -2.753 89 HB3 GLU 11 1HB GLU 11 3.182 13.011 -4.392 90 HG2 GLU 11 2HG GLU 11 1.039 13.810 -3.595 91 HG3 GLU 11 1HG GLU 11 1.489 13.492 -1.920 92 H VAL 12 H VAL 12 3.610 9.962 -1.472 93 HA VAL 12 HA VAL 12 1.268 9.953 0.358 94 HB VAL 12 HB VAL 12 2.126 7.844 1.300 95 HG11 VAL 12 1HG1 VAL 12 1.883 7.750 -1.728 96 HG12 VAL 12 2HG1 VAL 12 0.551 7.717 -0.568 97 HG13 VAL 12 3HG1 VAL 12 1.690 6.373 -0.637 98 HG21 VAL 12 3HG2 VAL 12 4.342 8.011 -0.793 99 HG22 VAL 12 1HG2 VAL 12 4.028 6.621 0.253 100 HG23 VAL 12 2HG2 VAL 12 4.549 8.153 0.954 101 H GLN 13 H GLN 13 1.574 10.294 2.541 102 HA GLN 13 HA GLN 13 4.090 11.502 3.452 103 HB2 GLN 13 2HB GLN 13 1.447 11.092 4.938 104 HB3 GLN 13 1HB GLN 13 2.849 11.941 5.573 105 HG2 GLN 13 2HG GLN 13 1.224 13.576 4.905 106 HG3 GLN 13 1HG GLN 13 2.573 13.659 3.778 107 HE21 GLN 13 1HE2 GLN 13 -0.777 12.638 4.166 108 HE22 GLN 13 2HE2 GLN 13 -1.151 12.596 2.480 109 H SER 14 H SER 14 2.011 8.688 3.906 110 HA SER 14 HA SER 14 3.363 7.443 6.069 111 HB2 SER 14 2HB SER 14 1.614 6.236 3.888 112 HB3 SER 14 1HB SER 14 2.056 5.425 5.393 113 HG SER 14 HG SER 14 0.549 7.797 5.092 114 H ALA 15 H ALA 15 5.345 6.612 6.051 115 HA ALA 15 HA ALA 15 6.584 5.493 3.623 116 HB1 ALA 15 3HB ALA 15 7.805 5.983 6.364 117 HB2 ALA 15 1HB ALA 15 7.908 7.081 4.984 118 HB3 ALA 15 2HB ALA 15 8.674 5.493 4.906 119 H SER 16 H SER 16 4.620 4.338 6.074 120 HA SER 16 HA SER 16 5.606 1.555 5.707 121 HB2 SER 16 2HB SER 16 4.613 1.012 7.922 122 HB3 SER 16 1HB SER 16 5.826 2.285 8.083 123 HG SER 16 HG SER 16 3.733 2.609 9.196 124 H VAL 17 H VAL 17 4.005 -0.020 5.329 125 HA VAL 17 HA VAL 17 1.854 0.852 3.688 126 HB VAL 17 HB VAL 17 2.505 -1.960 4.699 127 HG11 VAL 17 1HG1 VAL 17 0.154 -1.883 3.997 128 HG12 VAL 17 2HG1 VAL 17 1.105 -2.810 2.836 129 HG13 VAL 17 3HG1 VAL 17 0.614 -1.158 2.454 130 HG21 VAL 17 3HG2 VAL 17 3.522 -2.316 2.473 131 HG22 VAL 17 1HG2 VAL 17 4.316 -0.996 3.336 132 HG23 VAL 17 2HG2 VAL 17 3.172 -0.641 2.041 133 H ALA 18 H ALA 18 1.997 -0.233 7.077 134 HA ALA 18 HA ALA 18 -0.754 -0.647 7.573 135 HB1 ALA 18 3HB ALA 18 0.976 -1.327 9.178 136 HB2 ALA 18 1HB ALA 18 -0.215 -0.284 9.961 137 HB3 ALA 18 2HB ALA 18 1.366 0.362 9.506 138 H ALA 19 H ALA 19 1.244 2.260 8.106 139 HA ALA 19 HA ALA 19 -0.836 4.027 8.820 140 HB1 ALA 19 3HB ALA 19 0.820 5.811 8.464 141 HB2 ALA 19 1HB ALA 19 1.895 4.659 7.647 142 HB3 ALA 19 2HB ALA 19 1.519 4.461 9.357 143 H LEU 20 H LEU 20 0.465 2.994 5.730 144 HA LEU 20 HA LEU 20 -0.631 5.064 4.117 145 HB2 LEU 20 2HB LEU 20 1.311 3.674 3.440 146 HB3 LEU 20 1HB LEU 20 0.269 2.264 3.331 147 HG LEU 20 HG LEU 20 -0.967 3.285 1.447 148 HD11 LEU 20 1HD1 LEU 20 -0.236 5.376 0.402 149 HD12 LEU 20 2HD1 LEU 20 0.928 5.639 1.703 150 HD13 LEU 20 3HD1 LEU 20 -0.805 5.641 2.049 151 HD21 LEU 20 3HD2 LEU 20 0.778 3.173 -0.254 152 HD22 LEU 20 1HD2 LEU 20 1.004 1.905 0.951 153 HD23 LEU 20 2HD2 LEU 20 2.029 3.343 0.980 154 H MET 21 H MET 21 -1.725 1.756 4.894 155 HA MET 21 HA MET 21 -4.055 1.854 3.241 156 HB2 MET 21 2HB MET 21 -3.334 0.014 5.559 157 HB3 MET 21 1HB MET 21 -4.724 -0.216 4.500 158 HG2 MET 21 2HG MET 21 -1.832 -0.213 3.595 159 HG3 MET 21 1HG MET 21 -2.816 -1.650 3.864 160 HE1 MET 21 3HE MET 21 -5.630 -1.011 2.628 161 HE2 MET 21 1HE MET 21 -4.704 -2.477 2.303 162 HE3 MET 21 2HE MET 21 -5.378 -1.545 0.967 163 H THR 22 H THR 22 -3.350 2.869 6.533 164 HA THR 22 HA THR 22 -6.060 3.487 7.258 165 HB THR 22 HB THR 22 -3.466 4.653 8.364 166 HG1 THR 22 HG1 THR 22 -3.440 2.485 8.765 167 HG21 THR 22 3HG2 THR 22 -4.807 5.210 10.372 168 HG22 THR 22 1HG2 THR 22 -6.261 4.602 9.579 169 HG23 THR 22 2HG2 THR 22 -5.449 6.039 8.952 170 H GLU 23 H GLU 23 -3.377 5.276 5.795 171 HA GLU 23 HA GLU 23 -4.456 7.887 5.759 172 HB2 GLU 23 2HB GLU 23 -2.048 7.390 5.482 173 HB3 GLU 23 1HB GLU 23 -2.359 6.566 3.959 174 HG2 GLU 23 2HG GLU 23 -3.004 8.695 2.923 175 HG3 GLU 23 1HG GLU 23 -2.793 9.525 4.462 176 H LEU 24 H LEU 24 -4.654 5.215 3.487 177 HA LEU 24 HA LEU 24 -6.146 6.699 1.467 178 HB2 LEU 24 2HB LEU 24 -5.280 3.782 1.608 179 HB3 LEU 24 1HB LEU 24 -5.971 4.571 0.195 180 HG LEU 24 HG LEU 24 -3.322 5.351 1.483 181 HD11 LEU 24 1HD1 LEU 24 -3.787 3.733 -1.031 182 HD12 LEU 24 2HD1 LEU 24 -3.127 3.144 0.496 183 HD13 LEU 24 3HD1 LEU 24 -2.226 4.324 -0.453 184 HD21 LEU 24 3HD2 LEU 24 -4.583 6.294 -1.109 185 HD22 LEU 24 1HD2 LEU 24 -2.962 6.705 -0.540 186 HD23 LEU 24 2HD2 LEU 24 -4.374 7.241 0.366 187 H ASP 25 H ASP 25 -6.856 5.083 4.301 188 HA ASP 25 HA ASP 25 -8.670 4.317 5.368 189 HB2 ASP 25 2HB ASP 25 -9.505 6.597 4.664 190 HB3 ASP 25 1HB ASP 25 -10.274 5.848 3.274 191 H CYS 26 H CYS 26 -7.522 2.561 3.646 192 HA CYS 26 HA CYS 26 -9.770 0.829 2.792 193 HB2 CYS 26 2HB CYS 26 -6.946 1.022 1.671 194 HB3 CYS 26 1HB CYS 26 -8.157 -0.160 1.170 195 HG CYS 26 HG CYS 26 -9.317 1.285 -0.558 196 H THR 27 H THR 27 -8.725 1.032 5.452 197 HA THR 27 HA THR 27 -7.621 -1.702 5.821 198 HB THR 27 HB THR 27 -5.994 0.099 6.475 199 HG1 THR 27 HG1 THR 27 -5.389 -1.352 7.874 200 HG21 THR 27 3HG2 THR 27 -7.588 1.831 7.229 201 HG22 THR 27 1HG2 THR 27 -6.401 1.460 8.485 202 HG23 THR 27 2HG2 THR 27 -8.043 0.823 8.606 203 H ASP 28 H ASP 28 -10.429 -0.105 5.915 204 HA ASP 28 HA ASP 28 -11.350 -0.134 8.578 205 HB2 ASP 28 2HB ASP 28 -12.354 1.272 6.805 206 HB3 ASP 28 1HB ASP 28 -12.949 -0.166 5.981 207 H GLY 29 H GLY 29 -12.352 -2.329 5.907 208 HA2 GLY 29 2HA GLY 29 -13.157 -4.355 7.937 209 HA3 GLY 29 1HA GLY 29 -13.981 -4.094 6.405 210 H HIS 30 H HIS 30 -13.669 -5.883 5.226 211 HA HIS 30 HA HIS 30 -11.314 -7.531 5.441 212 HB2 HIS 30 2HB HIS 30 -13.654 -8.452 5.153 213 HB3 HIS 30 1HB HIS 30 -13.668 -7.805 3.520 214 HD1 HIS 30 HD1 HIS 30 -12.464 -10.648 5.547 215 HD2 HIS 30 HD2 HIS 30 -11.933 -9.200 1.692 216 HE1 HIS 30 HE1 HIS 30 -11.444 -12.531 4.253 217 HE2 HIS 30 HE2 HIS 30 -11.340 -11.698 1.890 218 H TYR 31 H TYR 31 -9.659 -6.152 4.703 219 HA TYR 31 HA TYR 31 -9.494 -5.762 1.783 220 HB2 TYR 31 2HB TYR 31 -8.807 -3.660 3.884 221 HB3 TYR 31 1HB TYR 31 -8.324 -3.550 2.195 222 HD1 TYR 31 HD2 TYR 31 -10.062 -3.240 0.405 223 HD2 TYR 31 HD1 TYR 31 -11.080 -3.125 4.559 224 HE1 TYR 31 HE2 TYR 31 -12.227 -2.203 -0.145 225 HE2 TYR 31 HE1 TYR 31 -13.236 -2.100 4.000 226 HH TYR 31 HH TYR 31 -14.211 -0.747 2.130 227 H ALA 32 H ALA 32 -7.465 -5.699 0.964 228 HA ALA 32 HA ALA 32 -5.132 -6.393 2.581 229 HB1 ALA 32 3HB ALA 32 -5.983 -7.866 0.050 230 HB2 ALA 32 1HB ALA 32 -5.985 -8.535 1.685 231 HB3 ALA 32 2HB ALA 32 -4.460 -8.102 0.913 232 H VAL 33 H VAL 33 -3.218 -6.404 0.826 233 HA VAL 33 HA VAL 33 -3.485 -4.289 -1.174 234 HB VAL 33 HB VAL 33 -2.930 -3.155 1.043 235 HG11 VAL 33 1HG1 VAL 33 -0.677 -3.341 1.969 236 HG12 VAL 33 2HG1 VAL 33 -0.255 -4.566 0.776 237 HG13 VAL 33 3HG1 VAL 33 -1.487 -4.906 1.994 238 HG21 VAL 33 3HG2 VAL 33 -0.845 -2.852 -1.144 239 HG22 VAL 33 1HG2 VAL 33 -1.195 -1.672 0.125 240 HG23 VAL 33 2HG2 VAL 33 -2.420 -2.054 -1.089 241 H ALA 34 H ALA 34 -1.605 -4.208 -2.579 242 HA ALA 34 HA ALA 34 0.336 -6.410 -2.286 243 HB1 ALA 34 3HB ALA 34 0.222 -6.887 -4.691 244 HB2 ALA 34 1HB ALA 34 -1.086 -5.719 -4.872 245 HB3 ALA 34 2HB ALA 34 -1.330 -7.168 -3.906 246 H LEU 35 H LEU 35 2.171 -5.453 -1.949 247 HA LEU 35 HA LEU 35 2.853 -2.815 -3.065 248 HB2 LEU 35 2HB LEU 35 3.385 -3.228 -0.689 249 HB3 LEU 35 1HB LEU 35 4.349 -4.632 -1.121 250 HG LEU 35 HG LEU 35 5.931 -3.074 -2.374 251 HD11 LEU 35 1HD1 LEU 35 4.422 -1.205 -2.756 252 HD12 LEU 35 2HD1 LEU 35 5.862 -0.672 -1.892 253 HD13 LEU 35 3HD1 LEU 35 4.338 -0.885 -1.022 254 HD21 LEU 35 3HD2 LEU 35 6.476 -3.886 -0.128 255 HD22 LEU 35 1HD2 LEU 35 5.634 -2.509 0.587 256 HD23 LEU 35 2HD2 LEU 35 7.087 -2.253 -0.387 257 H ASN 36 H ASN 36 3.756 -2.752 -5.012 258 HA ASN 36 HA ASN 36 4.649 -3.340 -7.006 259 HB2 ASN 36 2HB ASN 36 6.565 -4.991 -5.292 260 HB3 ASN 36 1HB ASN 36 6.819 -4.587 -6.989 261 HD21 ASN 36 1HD2 ASN 36 8.516 -3.915 -4.755 262 HD22 ASN 36 2HD2 ASN 36 8.619 -2.188 -4.730 263 H TYR 37 H TYR 37 2.398 -4.736 -6.137 264 HA TYR 37 HA TYR 37 0.964 -6.326 -6.838 265 HB2 TYR 37 2HB TYR 37 3.206 -7.203 -8.702 266 HB3 TYR 37 1HB TYR 37 1.579 -7.867 -8.736 267 HD1 TYR 37 HD2 TYR 37 1.776 -4.234 -8.164 268 HD2 TYR 37 HD1 TYR 37 1.619 -7.265 -11.182 269 HE1 TYR 37 HE2 TYR 37 1.156 -2.542 -9.840 270 HE2 TYR 37 HE1 TYR 37 1.002 -5.568 -12.849 271 HH TYR 37 HH TYR 37 1.275 -2.237 -12.297 272 H ASP 38 H ASP 38 3.299 -6.834 -4.793 273 HA ASP 38 HA ASP 38 2.890 -9.743 -4.394 274 HB2 ASP 38 2HB ASP 38 4.754 -7.792 -2.965 275 HB3 ASP 38 1HB ASP 38 4.636 -9.513 -2.608 276 H VAL 39 H VAL 39 1.129 -10.231 -3.197 277 HA VAL 39 HA VAL 39 -0.380 -8.350 -1.756 278 HB VAL 39 HB VAL 39 -0.560 -11.387 -1.461 279 HG11 VAL 39 1HG1 VAL 39 -2.918 -10.961 -0.808 280 HG12 VAL 39 2HG1 VAL 39 -2.639 -9.223 -0.914 281 HG13 VAL 39 3HG1 VAL 39 -1.789 -10.178 0.301 282 HG21 VAL 39 3HG2 VAL 39 -2.297 -11.304 -3.226 283 HG22 VAL 39 1HG2 VAL 39 -0.720 -10.780 -3.830 284 HG23 VAL 39 2HG2 VAL 39 -1.966 -9.587 -3.462 285 H VAL 40 H VAL 40 0.235 -7.442 0.074 286 HA VAL 40 HA VAL 40 1.985 -8.792 1.997 287 HB VAL 40 HB VAL 40 0.899 -5.938 2.143 288 HG11 VAL 40 1HG1 VAL 40 2.782 -5.549 3.712 289 HG12 VAL 40 2HG1 VAL 40 3.240 -7.249 3.589 290 HG13 VAL 40 3HG1 VAL 40 1.689 -6.804 4.306 291 HG21 VAL 40 3HG2 VAL 40 3.560 -6.849 0.985 292 HG22 VAL 40 1HG2 VAL 40 3.065 -5.172 1.237 293 HG23 VAL 40 2HG2 VAL 40 2.203 -6.183 0.072 294 HA PRO 41 HA PRO 41 -1.813 -9.799 4.401 295 HB2 PRO 41 2HB PRO 41 -0.525 -11.068 6.497 296 HB3 PRO 41 1HB PRO 41 -0.848 -11.865 4.945 297 HG2 PRO 41 2HG PRO 41 1.687 -10.588 5.911 298 HG3 PRO 41 1HG PRO 41 1.468 -12.122 5.039 299 HD2 PRO 41 2HD PRO 41 2.269 -9.852 3.775 300 HD3 PRO 41 1HD PRO 41 1.259 -11.071 2.965 301 H ARG 42 H ARG 42 -2.728 -8.989 6.354 302 HA ARG 42 HA ARG 42 -2.133 -6.314 6.852 303 HB2 ARG 42 2HB ARG 42 -3.870 -8.168 8.529 304 HB3 ARG 42 1HB ARG 42 -3.863 -6.404 8.627 305 HG2 ARG 42 2HG ARG 42 -4.550 -6.340 6.208 306 HG3 ARG 42 1HG ARG 42 -4.739 -8.097 6.270 307 HD2 ARG 42 2HD ARG 42 -6.885 -6.966 6.597 308 HD3 ARG 42 1HD ARG 42 -6.413 -7.858 8.044 309 HE ARG 42 HE ARG 42 -5.590 -5.609 8.896 310 HH11 ARG 42 1HH1 ARG 42 -8.338 -5.858 6.714 311 HH12 ARG 42 2HH1 ARG 42 -9.067 -4.391 7.289 312 HH21 ARG 42 2HH2 ARG 42 -6.536 -3.703 9.616 313 HH22 ARG 42 1HH2 ARG 42 -8.040 -3.171 8.937 314 H GLY 43 H GLY 43 -1.310 -9.167 8.770 315 HA2 GLY 43 2HA GLY 43 -0.253 -7.790 11.038 316 HA3 GLY 43 1HA GLY 43 -0.032 -9.480 10.639 317 H LYS 44 H LYS 44 0.990 -7.804 7.989 318 HA LYS 44 HA LYS 44 3.753 -7.415 8.964 319 HB2 LYS 44 2HB LYS 44 2.795 -8.502 6.298 320 HB3 LYS 44 1HB LYS 44 4.443 -7.937 6.578 321 HG2 LYS 44 2HG LYS 44 4.594 -9.613 8.480 322 HG3 LYS 44 1HG LYS 44 3.043 -10.256 7.928 323 HD2 LYS 44 2HD LYS 44 4.906 -11.575 7.031 324 HD3 LYS 44 1HD LYS 44 4.018 -10.771 5.737 325 HE2 LYS 44 2HE LYS 44 5.776 -9.030 5.617 326 HE3 LYS 44 1HE LYS 44 6.654 -9.830 6.918 327 HZ1 LYS 44 3HZ LYS 44 6.873 -11.782 5.475 328 HZ2 LYS 44 1HZ LYS 44 7.602 -10.406 4.816 329 HZ3 LYS 44 2HZ LYS 44 6.118 -10.942 4.220 330 H TRP 45 H TRP 45 1.027 -5.844 7.648 331 HA TRP 45 HA TRP 45 1.974 -4.026 5.791 332 HB2 TRP 45 2HB TRP 45 -0.169 -3.667 7.918 333 HB3 TRP 45 1HB TRP 45 0.192 -2.398 6.757 334 HD1 TRP 45 HD1 TRP 45 0.516 -5.381 4.776 335 HE1 TRP 45 HE1 TRP 45 -1.644 -5.933 3.519 336 HE3 TRP 45 HE3 TRP 45 -2.721 -2.400 7.361 337 HZ2 TRP 45 HZ2 TRP 45 -4.346 -5.193 3.581 338 HZ3 TRP 45 HZ3 TRP 45 -5.091 -2.384 6.693 339 HH2 TRP 45 HH2 TRP 45 -5.893 -3.754 4.836 340 H ASP 46 H ASP 46 2.229 -3.792 9.303 341 HA ASP 46 HA ASP 46 3.447 -1.214 9.453 342 HB2 ASP 46 2HB ASP 46 2.258 -2.125 11.378 343 HB3 ASP 46 1HB ASP 46 3.340 -3.511 11.449 344 H GLU 47 H GLU 47 4.700 -4.525 9.418 345 HA GLU 47 HA GLU 47 7.459 -3.838 9.746 346 HB2 GLU 47 2HB GLU 47 6.194 -6.410 8.703 347 HB3 GLU 47 1HB GLU 47 7.877 -6.222 9.192 348 HG2 GLU 47 2HG GLU 47 5.433 -6.048 10.976 349 HG3 GLU 47 1HG GLU 47 6.628 -7.344 10.939 350 H THR 48 H THR 48 5.382 -3.620 7.066 351 HA THR 48 HA THR 48 7.487 -4.066 5.056 352 HB THR 48 HB THR 48 4.478 -3.722 4.671 353 HG1 THR 48 HG1 THR 48 5.525 -5.699 5.787 354 HG21 THR 48 3HG2 THR 48 6.611 -4.720 2.740 355 HG22 THR 48 1HG2 THR 48 5.803 -3.148 2.646 356 HG23 THR 48 2HG2 THR 48 4.877 -4.632 2.415 357 HA PRO 49 HA PRO 49 7.528 0.511 4.853 358 HB2 PRO 49 2HB PRO 49 9.870 0.826 3.543 359 HB3 PRO 49 1HB PRO 49 9.841 0.219 5.212 360 HG2 PRO 49 2HG PRO 49 10.164 -1.320 2.656 361 HG3 PRO 49 1HG PRO 49 11.037 -1.501 4.193 362 HD2 PRO 49 2HD PRO 49 8.885 -3.093 3.431 363 HD3 PRO 49 1HD PRO 49 9.400 -2.839 5.113 364 H VAL 50 H VAL 50 7.534 2.151 3.183 365 HA VAL 50 HA VAL 50 6.786 1.317 0.438 366 HB VAL 50 HB VAL 50 5.714 3.741 1.988 367 HG11 VAL 50 1HG1 VAL 50 4.966 2.728 -0.784 368 HG12 VAL 50 2HG1 VAL 50 5.863 4.205 -0.418 369 HG13 VAL 50 3HG1 VAL 50 4.174 4.054 0.070 370 HG21 VAL 50 3HG2 VAL 50 4.739 1.674 2.879 371 HG22 VAL 50 1HG2 VAL 50 4.250 1.182 1.255 372 HG23 VAL 50 2HG2 VAL 50 3.524 2.606 2.002 373 H THR 51 H THR 51 8.112 2.207 -1.088 374 HA THR 51 HA THR 51 9.686 4.645 -0.475 375 HB THR 51 HB THR 51 11.525 3.743 -1.947 376 HG1 THR 51 HG1 THR 51 9.712 1.668 -2.205 377 HG21 THR 51 3HG2 THR 51 12.468 2.125 -0.329 378 HG22 THR 51 1HG2 THR 51 10.887 1.962 0.431 379 HG23 THR 51 2HG2 THR 51 11.743 3.505 0.505 380 H ALA 52 H ALA 52 9.988 6.044 -2.220 381 HA ALA 52 HA ALA 52 7.868 6.432 -3.993 382 HB1 ALA 52 3HB ALA 52 9.376 8.240 -3.234 383 HB2 ALA 52 1HB ALA 52 9.244 8.212 -4.995 384 HB3 ALA 52 2HB ALA 52 10.684 7.561 -4.206 385 H GLY 53 H GLY 53 7.393 5.662 -5.965 386 HA2 GLY 53 2HA GLY 53 7.911 4.923 -8.174 387 HA3 GLY 53 1HA GLY 53 9.434 4.263 -7.603 388 H ASP 54 H ASP 54 7.295 3.333 -5.263 389 HA ASP 54 HA ASP 54 6.997 0.660 -6.314 390 HB2 ASP 54 2HB ASP 54 6.085 1.958 -3.721 391 HB3 ASP 54 1HB ASP 54 5.643 0.299 -4.129 392 H GLU 55 H GLU 55 5.031 -0.465 -6.593 393 HA GLU 55 HA GLU 55 2.691 1.200 -7.320 394 HB2 GLU 55 2HB GLU 55 3.627 -1.501 -8.381 395 HB3 GLU 55 1HB GLU 55 2.076 -0.770 -8.797 396 HG2 GLU 55 2HG GLU 55 3.195 1.110 -9.875 397 HG3 GLU 55 1HG GLU 55 4.767 0.532 -9.336 398 H ILE 56 H ILE 56 1.730 1.294 -5.331 399 HA ILE 56 HA ILE 56 1.119 -1.106 -3.762 400 HB ILE 56 HB ILE 56 0.489 1.855 -3.250 401 HG12 ILE 56 2HG1 ILE 56 2.119 1.438 -1.228 402 HG13 ILE 56 1HG1 ILE 56 2.661 0.041 -2.146 403 HG21 ILE 56 1HG2 ILE 56 -1.246 0.448 -2.228 404 HG22 ILE 56 2HG2 ILE 56 -0.258 1.227 -0.995 405 HG23 ILE 56 3HG2 ILE 56 -0.009 -0.477 -1.373 406 HD11 ILE 56 3HD1 ILE 56 2.759 2.907 -3.056 407 HD12 ILE 56 1HD1 ILE 56 3.319 1.510 -3.978 408 HD13 ILE 56 2HD1 ILE 56 4.114 1.945 -2.466 409 H GLU 57 H GLU 57 -0.451 -2.218 -5.000 410 HA GLU 57 HA GLU 57 -2.903 -0.740 -5.738 411 HB2 GLU 57 2HB GLU 57 -3.564 -2.859 -6.930 412 HB3 GLU 57 1HB GLU 57 -2.116 -2.081 -7.558 413 HG2 GLU 57 2HG GLU 57 -0.699 -3.700 -6.530 414 HG3 GLU 57 1HG GLU 57 -2.040 -4.406 -5.637 415 H ILE 58 H ILE 58 -4.624 -0.896 -4.570 416 HA ILE 58 HA ILE 58 -4.624 -2.414 -2.083 417 HB ILE 58 HB ILE 58 -6.566 -0.338 -3.185 418 HG12 ILE 58 2HG1 ILE 58 -4.404 -0.158 -1.033 419 HG13 ILE 58 1HG1 ILE 58 -4.307 0.540 -2.646 420 HG21 ILE 58 1HG2 ILE 58 -7.570 -0.300 -0.910 421 HG22 ILE 58 2HG2 ILE 58 -6.537 -1.647 -0.436 422 HG23 ILE 58 3HG2 ILE 58 -7.767 -1.877 -1.680 423 HD11 ILE 58 3HD1 ILE 58 -6.238 1.979 -2.057 424 HD12 ILE 58 1HD1 ILE 58 -4.783 2.245 -1.106 425 HD13 ILE 58 2HD1 ILE 58 -6.127 1.355 -0.409 426 H LEU 59 H LEU 59 -5.676 -4.233 -1.810 427 HA LEU 59 HA LEU 59 -7.406 -5.302 -3.951 428 HB2 LEU 59 2HB LEU 59 -5.872 -6.706 -1.719 429 HB3 LEU 59 1HB LEU 59 -6.830 -7.516 -2.956 430 HG LEU 59 HG LEU 59 -4.368 -5.818 -3.534 431 HD11 LEU 59 1HD1 LEU 59 -3.206 -7.931 -3.989 432 HD12 LEU 59 2HD1 LEU 59 -4.616 -8.833 -3.425 433 HD13 LEU 59 3HD1 LEU 59 -3.716 -7.807 -2.306 434 HD21 LEU 59 3HD2 LEU 59 -5.925 -5.844 -5.404 435 HD22 LEU 59 1HD2 LEU 59 -6.022 -7.610 -5.346 436 HD23 LEU 59 2HD2 LEU 59 -4.506 -6.813 -5.794 437 H THR 60 H THR 60 -9.524 -5.411 -3.531 438 HA THR 60 HA THR 60 -10.519 -5.818 -0.786 439 HB THR 60 HB THR 60 -12.058 -5.305 -3.384 440 HG1 THR 60 HG1 THR 60 -10.661 -3.554 -2.429 441 HG21 THR 60 3HG2 THR 60 -13.980 -4.822 -1.880 442 HG22 THR 60 1HG2 THR 60 -12.998 -5.264 -0.487 443 HG23 THR 60 2HG2 THR 60 -13.424 -6.488 -1.688 444 HA PRO 61 HA PRO 61 -9.799 -9.987 -2.594 445 HB2 PRO 61 2HB PRO 61 -9.988 -11.033 0.186 446 HB3 PRO 61 1HB PRO 61 -8.597 -11.031 -0.915 447 HG2 PRO 61 2HG PRO 61 -8.682 -9.473 1.279 448 HG3 PRO 61 1HG PRO 61 -7.853 -8.963 -0.210 449 HD2 PRO 61 2HD PRO 61 -10.588 -8.167 0.794 450 HD3 PRO 61 1HD PRO 61 -9.304 -7.156 0.086 451 H ARG 62 H ARG 62 -11.481 -10.817 -3.572 452 HA ARG 62 HA ARG 62 -14.014 -11.444 -2.165 453 HB2 ARG 62 2HB ARG 62 -13.586 -10.998 -5.160 454 HB3 ARG 62 1HB ARG 62 -15.126 -11.130 -4.314 455 HG2 ARG 62 2HG ARG 62 -14.855 -8.985 -3.277 456 HG3 ARG 62 1HG ARG 62 -13.162 -8.888 -3.762 457 HD2 ARG 62 2HD ARG 62 -13.971 -8.876 -6.174 458 HD3 ARG 62 1HD ARG 62 -15.606 -8.682 -5.538 459 HE ARG 62 HE ARG 62 -14.937 -6.553 -4.608 460 HH11 ARG 62 1HH1 ARG 62 -12.676 -7.899 -6.930 461 HH12 ARG 62 2HH1 ARG 62 -11.950 -6.372 -7.299 462 HH21 ARG 62 1HH2 ARG 62 -13.998 -4.541 -5.098 463 HH22 ARG 62 2HH2 ARG 62 -12.702 -4.449 -6.254 464 H GLN 63 H GLN 63 -12.820 -12.603 -5.326 465 HA GLN 63 HA GLN 63 -12.252 -15.292 -4.208 466 HB2 GLN 63 2HB GLN 63 -12.926 -14.531 -7.097 467 HB3 GLN 63 1HB GLN 63 -12.667 -16.162 -6.482 468 HG2 GLN 63 2HG GLN 63 -14.695 -16.010 -5.139 469 HG3 GLN 63 1HG GLN 63 -14.929 -14.335 -5.634 470 HE21 GLN 63 1HE2 GLN 63 -15.582 -13.908 -7.797 471 HE22 GLN 63 2HE2 GLN 63 -16.312 -15.131 -8.773 472 H GLY 64 H GLY 64 -10.166 -14.569 -3.555 473 HA2 GLY 64 2HA GLY 64 -8.226 -13.943 -5.727 474 HA3 GLY 64 1HA GLY 64 -8.078 -13.401 -4.060 475 H GLY 65 H GLY 65 -8.302 -15.460 -2.472 476 HA2 GLY 65 2HA GLY 65 -5.871 -16.953 -2.889 477 HA3 GLY 65 1HA GLY 65 -6.957 -17.060 -1.507 478 H LEU 66 H LEU 66 -9.313 -17.610 -3.068 479 HA LEU 66 HA LEU 66 -8.772 -20.250 -4.282 480 HB2 LEU 66 2HB LEU 66 -11.191 -19.470 -2.588 481 HB3 LEU 66 1HB LEU 66 -11.092 -20.928 -3.557 482 HG LEU 66 HG LEU 66 -9.038 -21.564 -2.078 483 HD11 LEU 66 1HD1 LEU 66 -9.002 -20.641 0.197 484 HD12 LEU 66 2HD1 LEU 66 -10.236 -19.460 -0.252 485 HD13 LEU 66 3HD1 LEU 66 -8.645 -19.406 -1.011 486 HD21 LEU 66 3HD2 LEU 66 -11.804 -21.540 -0.826 487 HD22 LEU 66 1HD2 LEU 66 -10.461 -22.590 -0.360 488 HD23 LEU 66 2HD2 LEU 66 -11.185 -22.744 -1.961 489 H GLU 67 H GLU 67 -8.638 -19.242 -6.321 490 HA GLU 67 HA GLU 67 -11.260 -18.690 -7.544 491 HB2 GLU 67 2HB GLU 67 -10.362 -16.811 -8.838 492 HB3 GLU 67 1HB GLU 67 -10.212 -16.474 -7.119 493 HG2 GLU 67 2HG GLU 67 -7.820 -17.024 -7.206 494 HG3 GLU 67 1HG GLU 67 -7.962 -17.417 -8.921 495 H HIS 68 H HIS 68 -10.711 -18.467 -10.107 496 HA HIS 68 HA HIS 68 -8.497 -20.250 -10.916 497 HB2 HIS 68 2HB HIS 68 -10.804 -21.421 -11.011 498 HB3 HIS 68 1HB HIS 68 -11.233 -20.285 -12.285 499 HD1 HIS 68 HD1 HIS 68 -9.010 -23.242 -11.572 500 HD2 HIS 68 HD2 HIS 68 -10.135 -20.894 -14.809 501 HE1 HIS 68 HE1 HIS 68 -8.129 -24.415 -13.605 502 HE2 HIS 68 HE2 HIS 68 -8.866 -23.005 -15.543 503 H HIS 69 H HIS 69 -9.270 -17.282 -10.741 504 HA HIS 69 HA HIS 69 -9.060 -15.342 -11.776 505 HB2 HIS 69 2HB HIS 69 -7.119 -16.886 -13.533 506 HB3 HIS 69 1HB HIS 69 -7.279 -15.136 -13.548 507 HD1 HIS 69 HD1 HIS 69 -5.794 -13.898 -11.942 508 HD2 HIS 69 HD2 HIS 69 -6.280 -17.876 -10.864 509 HE1 HIS 69 HE1 HIS 69 -4.248 -14.268 -10.002 510 HE2 HIS 69 HE2 HIS 69 -4.729 -16.611 -9.252 511 H HIS 70 H HIS 70 -8.854 -17.328 -14.779 512 HA HIS 70 HA HIS 70 -9.879 -17.117 -16.803 513 HB2 HIS 70 2HB HIS 70 -12.271 -16.208 -15.131 514 HB3 HIS 70 1HB HIS 70 -12.351 -16.574 -16.848 515 HD1 HIS 70 HD1 HIS 70 -12.868 -18.074 -13.627 516 HD2 HIS 70 HD2 HIS 70 -11.694 -19.434 -17.362 517 HE1 HIS 70 HE1 HIS 70 -13.262 -20.545 -13.599 518 HE2 HIS 70 HE2 HIS 70 -12.569 -21.341 -15.876 519 H HIS 71 H HIS 71 -11.747 -14.967 -17.723 520 HA HIS 71 HA HIS 71 -10.021 -12.664 -17.731 521 HB2 HIS 71 2HB HIS 71 -11.597 -13.060 -19.614 522 HB3 HIS 71 1HB HIS 71 -12.962 -12.805 -18.528 523 HD1 HIS 71 HD1 HIS 71 -13.901 -10.512 -18.772 524 HD2 HIS 71 HD2 HIS 71 -9.798 -10.540 -19.449 525 HE1 HIS 71 HE1 HIS 71 -13.278 -8.135 -19.280 526 HE2 HIS 71 HE2 HIS 71 -10.828 -8.208 -19.824 527 H HIS 72 H HIS 72 -9.604 -12.224 -15.631 528 HA HIS 72 HA HIS 72 -11.370 -10.497 -14.187 529 HB2 HIS 72 2HB HIS 72 -12.303 -12.588 -13.311 530 HB3 HIS 72 1HB HIS 72 -10.700 -13.238 -13.003 531 HD1 HIS 72 HD1 HIS 72 -13.200 -10.774 -11.630 532 HD2 HIS 72 HD2 HIS 72 -9.568 -12.482 -10.563 533 HE1 HIS 72 HE1 HIS 72 -12.804 -10.111 -9.242 534 HE2 HIS 72 HE2 HIS 72 -10.509 -10.975 -8.707 535 H HIS 73 H HIS 73 -10.169 -9.094 -13.081 536 HA HIS 73 HA HIS 73 -7.408 -9.744 -12.269 537 HB2 HIS 73 2HB HIS 73 -8.300 -7.215 -13.737 538 HB3 HIS 73 1HB HIS 73 -6.770 -7.352 -12.877 539 HD1 HIS 73 HD1 HIS 73 -5.217 -9.449 -13.787 540 HD2 HIS 73 HD2 HIS 73 -8.085 -7.916 -16.373 541 HE1 HIS 73 HE1 HIS 73 -4.524 -10.192 -16.081 542 HE2 HIS 73 HE2 HIS 73 -6.173 -9.104 -17.633 Start of MODEL 14 1 H1 MET 1 1H MET 1 6.016 11.066 -0.615 2 H2 MET 1 2H MET 1 6.862 11.927 -1.794 3 H3 MET 1 3H MET 1 7.685 11.286 -0.467 4 HA MET 1 HA MET 1 8.079 9.975 -2.431 5 HB2 MET 1 2HB MET 1 6.302 8.508 -0.431 6 HB3 MET 1 1HB MET 1 7.448 7.745 -1.532 7 HG2 MET 1 2HG MET 1 9.294 8.931 -0.370 8 HG3 MET 1 1HG MET 1 8.115 9.591 0.771 9 HE1 MET 1 3HE MET 1 6.764 6.196 2.342 10 HE2 MET 1 1HE MET 1 6.181 6.898 0.834 11 HE3 MET 1 2HE MET 1 6.497 7.942 2.221 12 H LEU 2 H LEU 2 7.156 10.259 -4.404 13 HA LEU 2 HA LEU 2 4.302 10.104 -4.853 14 HB2 LEU 2 2HB LEU 2 5.767 11.713 -6.075 15 HB3 LEU 2 1HB LEU 2 6.605 10.371 -6.831 16 HG LEU 2 HG LEU 2 4.422 9.718 -7.951 17 HD11 LEU 2 1HD1 LEU 2 3.429 12.358 -6.843 18 HD12 LEU 2 2HD1 LEU 2 2.847 10.750 -6.407 19 HD13 LEU 2 3HD1 LEU 2 2.594 11.360 -8.039 20 HD21 LEU 2 3HD2 LEU 2 5.417 12.510 -8.584 21 HD22 LEU 2 1HD2 LEU 2 4.513 11.449 -9.668 22 HD23 LEU 2 2HD2 LEU 2 6.136 10.999 -9.151 23 H VAL 3 H VAL 3 3.583 8.086 -4.502 24 HA VAL 3 HA VAL 3 4.881 5.736 -5.768 25 HB VAL 3 HB VAL 3 3.729 4.364 -4.017 26 HG11 VAL 3 1HG1 VAL 3 5.099 5.064 -2.078 27 HG12 VAL 3 2HG1 VAL 3 5.417 6.612 -2.862 28 HG13 VAL 3 3HG1 VAL 3 6.017 5.117 -3.584 29 HG21 VAL 3 3HG2 VAL 3 1.780 5.825 -3.561 30 HG22 VAL 3 1HG2 VAL 3 2.839 7.017 -2.803 31 HG23 VAL 3 2HG2 VAL 3 2.632 5.422 -2.070 32 H THR 4 H THR 4 3.646 4.385 -7.075 33 HA THR 4 HA THR 4 1.221 5.564 -8.160 34 HB THR 4 HB THR 4 2.577 2.992 -9.069 35 HG1 THR 4 HG1 THR 4 4.140 4.206 -9.779 36 HG21 THR 4 3HG2 THR 4 1.563 3.568 -11.253 37 HG22 THR 4 1HG2 THR 4 0.827 5.007 -10.543 38 HG23 THR 4 2HG2 THR 4 0.320 3.401 -10.013 39 H ILE 5 H ILE 5 -0.495 5.223 -6.843 40 HA ILE 5 HA ILE 5 -0.972 2.590 -5.619 41 HB ILE 5 HB ILE 5 -2.332 5.260 -5.041 42 HG12 ILE 5 2HG1 ILE 5 -0.248 3.768 -3.381 43 HG13 ILE 5 1HG1 ILE 5 0.074 5.202 -4.351 44 HG21 ILE 5 1HG2 ILE 5 -3.307 4.147 -3.050 45 HG22 ILE 5 2HG2 ILE 5 -2.584 2.613 -3.547 46 HG23 ILE 5 3HG2 ILE 5 -3.833 3.367 -4.543 47 HD11 ILE 5 3HD1 ILE 5 -1.435 6.504 -2.906 48 HD12 ILE 5 1HD1 ILE 5 -0.110 5.764 -2.007 49 HD13 ILE 5 2HD1 ILE 5 -1.724 5.064 -1.926 50 H ASN 6 H ASN 6 -2.060 1.270 -6.990 51 HA ASN 6 HA ASN 6 -3.723 0.327 -8.175 52 HB2 ASN 6 2HB ASN 6 -5.361 2.747 -7.313 53 HB3 ASN 6 1HB ASN 6 -6.045 1.359 -8.149 54 HD21 ASN 6 1HD2 ASN 6 -3.622 1.286 -5.521 55 HD22 ASN 6 2HD2 ASN 6 -4.644 0.476 -4.407 56 H GLY 7 H GLY 7 -1.778 1.834 -9.497 57 HA2 GLY 7 2HA GLY 7 -1.259 2.536 -11.627 58 HA3 GLY 7 1HA GLY 7 -2.935 2.300 -12.090 59 H GLU 8 H GLU 8 -2.661 4.289 -9.377 60 HA GLU 8 HA GLU 8 -2.708 6.812 -10.935 61 HB2 GLU 8 2HB GLU 8 -4.994 6.214 -10.198 62 HB3 GLU 8 1HB GLU 8 -4.431 5.961 -8.555 63 HG2 GLU 8 2HG GLU 8 -5.578 8.063 -8.610 64 HG3 GLU 8 1HG GLU 8 -3.861 8.386 -8.415 65 H GLN 9 H GLN 9 -0.819 7.843 -10.391 66 HA GLN 9 HA GLN 9 0.700 7.266 -8.050 67 HB2 GLN 9 2HB GLN 9 0.951 9.533 -10.056 68 HB3 GLN 9 1HB GLN 9 2.080 9.290 -8.724 69 HG2 GLN 9 2HG GLN 9 2.475 6.952 -9.658 70 HG3 GLN 9 1HG GLN 9 1.574 7.464 -11.084 71 HE21 GLN 9 1HE2 GLN 9 4.377 6.632 -10.706 72 HE22 GLN 9 2HE2 GLN 9 5.335 7.908 -11.371 73 H ARG 10 H ARG 10 1.061 8.423 -6.232 74 HA ARG 10 HA ARG 10 -0.414 10.816 -5.542 75 HB2 ARG 10 2HB ARG 10 -2.071 9.088 -5.007 76 HB3 ARG 10 1HB ARG 10 -0.871 8.172 -4.097 77 HG2 ARG 10 2HG ARG 10 -0.730 9.962 -2.426 78 HG3 ARG 10 1HG ARG 10 -1.859 10.950 -3.359 79 HD2 ARG 10 2HD ARG 10 -2.548 8.235 -2.211 80 HD3 ARG 10 1HD ARG 10 -2.838 9.756 -1.366 81 HE ARG 10 HE ARG 10 -4.045 9.154 -4.008 82 HH11 ARG 10 1HH1 ARG 10 -4.414 10.229 -0.666 83 HH12 ARG 10 2HH1 ARG 10 -6.085 10.641 -0.863 84 HH21 ARG 10 1HH2 ARG 10 -6.240 9.707 -4.239 85 HH22 ARG 10 2HH2 ARG 10 -7.120 10.345 -2.888 86 H GLU 11 H GLU 11 0.858 12.027 -4.305 87 HA GLU 11 HA GLU 11 3.411 11.014 -3.359 88 HB2 GLU 11 2HB GLU 11 4.041 13.312 -2.960 89 HB3 GLU 11 1HB GLU 11 3.277 13.217 -4.540 90 HG2 GLU 11 2HG GLU 11 1.956 14.253 -2.008 91 HG3 GLU 11 1HG GLU 11 2.685 15.262 -3.258 92 H VAL 12 H VAL 12 3.625 10.201 -1.395 93 HA VAL 12 HA VAL 12 1.858 10.979 0.832 94 HB VAL 12 HB VAL 12 1.746 8.664 1.635 95 HG11 VAL 12 1HG1 VAL 12 0.914 8.832 -1.283 96 HG12 VAL 12 2HG1 VAL 12 -0.026 9.374 0.110 97 HG13 VAL 12 3HG1 VAL 12 0.313 7.658 -0.108 98 HG21 VAL 12 3HG2 VAL 12 3.347 7.859 -0.834 99 HG22 VAL 12 1HG2 VAL 12 2.616 6.748 0.331 100 HG23 VAL 12 2HG2 VAL 12 3.925 7.821 0.835 101 H GLN 13 H GLN 13 2.789 10.654 2.917 102 HA GLN 13 HA GLN 13 5.751 10.724 3.015 103 HB2 GLN 13 2HB GLN 13 3.750 11.955 4.965 104 HB3 GLN 13 1HB GLN 13 5.507 12.047 5.098 105 HG2 GLN 13 2HG GLN 13 5.583 13.353 2.990 106 HG3 GLN 13 1HG GLN 13 3.827 13.274 2.878 107 HE21 GLN 13 1HE2 GLN 13 5.558 15.619 3.053 108 HE22 GLN 13 2HE2 GLN 13 5.043 16.495 4.451 109 H SER 14 H SER 14 2.963 8.994 3.805 110 HA SER 14 HA SER 14 3.511 7.643 6.174 111 HB2 SER 14 2HB SER 14 2.110 6.514 3.709 112 HB3 SER 14 1HB SER 14 1.913 5.969 5.374 113 HG SER 14 HG SER 14 0.515 7.785 4.136 114 H ALA 15 H ALA 15 5.529 6.840 6.492 115 HA ALA 15 HA ALA 15 7.099 5.521 4.470 116 HB1 ALA 15 3HB ALA 15 7.633 5.828 7.449 117 HB2 ALA 15 1HB ALA 15 8.169 6.928 6.175 118 HB3 ALA 15 2HB ALA 15 8.795 5.280 6.238 119 H SER 16 H SER 16 4.722 4.473 6.655 120 HA SER 16 HA SER 16 5.462 1.617 6.338 121 HB2 SER 16 2HB SER 16 5.340 2.321 8.715 122 HB3 SER 16 1HB SER 16 3.707 2.939 8.463 123 HG SER 16 HG SER 16 4.185 0.637 9.311 124 H VAL 17 H VAL 17 3.952 0.243 5.441 125 HA VAL 17 HA VAL 17 1.885 1.324 3.783 126 HB VAL 17 HB VAL 17 2.515 -1.585 4.478 127 HG11 VAL 17 1HG1 VAL 17 1.198 -2.200 2.454 128 HG12 VAL 17 2HG1 VAL 17 0.697 -0.516 2.279 129 HG13 VAL 17 3HG1 VAL 17 0.193 -1.447 3.692 130 HG21 VAL 17 3HG2 VAL 17 3.615 -1.648 2.260 131 HG22 VAL 17 1HG2 VAL 17 4.359 -0.444 3.316 132 HG23 VAL 17 2HG2 VAL 17 3.261 0.066 2.033 133 H ALA 18 H ALA 18 1.950 -0.077 7.020 134 HA ALA 18 HA ALA 18 -0.821 -0.407 7.444 135 HB1 ALA 18 3HB ALA 18 0.867 -1.268 9.021 136 HB2 ALA 18 1HB ALA 18 -0.298 -0.231 9.854 137 HB3 ALA 18 2HB ALA 18 1.312 0.379 9.464 138 H ALA 19 H ALA 19 1.304 2.384 8.199 139 HA ALA 19 HA ALA 19 -0.709 4.197 8.981 140 HB1 ALA 19 3HB ALA 19 1.002 5.940 8.667 141 HB2 ALA 19 1HB ALA 19 2.024 4.792 7.804 142 HB3 ALA 19 2HB ALA 19 1.661 4.542 9.516 143 H LEU 20 H LEU 20 0.562 3.322 5.827 144 HA LEU 20 HA LEU 20 -0.515 5.446 4.295 145 HB2 LEU 20 2HB LEU 20 1.318 3.995 3.499 146 HB3 LEU 20 1HB LEU 20 0.228 2.619 3.460 147 HG LEU 20 HG LEU 20 -1.098 3.711 1.658 148 HD11 LEU 20 1HD1 LEU 20 -0.260 5.711 0.511 149 HD12 LEU 20 2HD1 LEU 20 1.002 5.891 1.736 150 HD13 LEU 20 3HD1 LEU 20 -0.700 6.051 2.184 151 HD21 LEU 20 3HD2 LEU 20 0.501 3.431 -0.157 152 HD22 LEU 20 1HD2 LEU 20 0.697 2.163 1.051 153 HD23 LEU 20 2HD2 LEU 20 1.845 3.504 0.987 154 H MET 21 H MET 21 -1.724 2.105 4.860 155 HA MET 21 HA MET 21 -4.129 2.555 3.346 156 HB2 MET 21 2HB MET 21 -3.370 0.222 5.143 157 HB3 MET 21 1HB MET 21 -4.788 0.265 4.094 158 HG2 MET 21 2HG MET 21 -3.182 0.601 2.143 159 HG3 MET 21 1HG MET 21 -1.873 0.234 3.264 160 HE1 MET 21 3HE MET 21 -5.066 -2.751 1.787 161 HE2 MET 21 1HE MET 21 -4.799 -1.152 1.101 162 HE3 MET 21 2HE MET 21 -5.527 -1.312 2.701 163 H THR 22 H THR 22 -3.244 2.993 6.696 164 HA THR 22 HA THR 22 -5.841 3.394 7.788 165 HB THR 22 HB THR 22 -3.203 4.741 8.538 166 HG1 THR 22 HG1 THR 22 -2.766 2.847 9.308 167 HG21 THR 22 3HG2 THR 22 -4.233 5.177 10.743 168 HG22 THR 22 1HG2 THR 22 -5.758 4.498 10.172 169 HG23 THR 22 2HG2 THR 22 -5.139 5.991 9.465 170 H GLU 23 H GLU 23 -3.516 5.512 6.145 171 HA GLU 23 HA GLU 23 -4.965 7.954 6.315 172 HB2 GLU 23 2HB GLU 23 -2.590 8.039 6.015 173 HB3 GLU 23 1HB GLU 23 -2.655 6.982 4.611 174 HG2 GLU 23 2HG GLU 23 -3.626 8.703 3.242 175 HG3 GLU 23 1HG GLU 23 -3.854 9.756 4.643 176 H LEU 24 H LEU 24 -4.746 5.459 3.836 177 HA LEU 24 HA LEU 24 -6.444 6.818 1.929 178 HB2 LEU 24 2HB LEU 24 -5.358 3.973 1.972 179 HB3 LEU 24 1HB LEU 24 -6.171 4.723 0.602 180 HG LEU 24 HG LEU 24 -3.509 5.654 1.772 181 HD11 LEU 24 1HD1 LEU 24 -4.012 4.099 -0.774 182 HD12 LEU 24 2HD1 LEU 24 -3.284 3.471 0.706 183 HD13 LEU 24 3HD1 LEU 24 -2.457 4.723 -0.213 184 HD21 LEU 24 3HD2 LEU 24 -3.331 7.071 -0.230 185 HD22 LEU 24 1HD2 LEU 24 -4.735 7.503 0.740 186 HD23 LEU 24 2HD2 LEU 24 -4.946 6.569 -0.744 187 H ASP 25 H ASP 25 -6.908 4.958 4.703 188 HA ASP 25 HA ASP 25 -8.644 4.107 5.832 189 HB2 ASP 25 2HB ASP 25 -9.627 6.357 5.183 190 HB3 ASP 25 1HB ASP 25 -10.435 5.559 3.836 191 H CYS 26 H CYS 26 -7.458 2.578 3.866 192 HA CYS 26 HA CYS 26 -9.501 0.933 2.569 193 HB2 CYS 26 2HB CYS 26 -6.465 0.893 2.359 194 HB3 CYS 26 1HB CYS 26 -7.594 -0.010 1.341 195 HG CYS 26 HG CYS 26 -7.641 1.815 -0.454 196 H THR 27 H THR 27 -9.460 0.782 5.384 197 HA THR 27 HA THR 27 -8.352 -1.923 5.935 198 HB THR 27 HB THR 27 -8.488 -1.305 8.358 199 HG1 THR 27 HG1 THR 27 -10.149 0.330 8.103 200 HG21 THR 27 3HG2 THR 27 -6.873 0.687 6.714 201 HG22 THR 27 1HG2 THR 27 -6.352 -0.939 7.162 202 HG23 THR 27 2HG2 THR 27 -6.591 0.283 8.410 203 H ASP 28 H ASP 28 -11.151 -0.691 4.887 204 HA ASP 28 HA ASP 28 -13.187 -1.333 6.690 205 HB2 ASP 28 2HB ASP 28 -13.175 -1.243 3.644 206 HB3 ASP 28 1HB ASP 28 -14.650 -1.530 4.562 207 H GLY 29 H GLY 29 -13.414 -3.280 7.666 208 HA2 GLY 29 2HA GLY 29 -14.094 -5.449 7.930 209 HA3 GLY 29 1HA GLY 29 -14.359 -5.539 6.196 210 H HIS 30 H HIS 30 -12.618 -6.222 4.816 211 HA HIS 30 HA HIS 30 -10.147 -7.170 6.038 212 HB2 HIS 30 2HB HIS 30 -12.110 -9.008 6.142 213 HB3 HIS 30 1HB HIS 30 -11.664 -9.279 4.464 214 HD1 HIS 30 HD1 HIS 30 -9.092 -10.016 4.066 215 HD2 HIS 30 HD2 HIS 30 -10.448 -10.131 7.987 216 HE1 HIS 30 HE1 HIS 30 -7.379 -11.330 5.341 217 HE2 HIS 30 HE2 HIS 30 -8.110 -11.152 7.737 218 H TYR 31 H TYR 31 -9.512 -5.414 4.682 219 HA TYR 31 HA TYR 31 -9.316 -5.855 1.783 220 HB2 TYR 31 2HB TYR 31 -9.000 -3.526 3.626 221 HB3 TYR 31 1HB TYR 31 -7.853 -3.542 2.300 222 HD1 TYR 31 HD2 TYR 31 -11.434 -3.272 3.177 223 HD2 TYR 31 HD1 TYR 31 -8.568 -3.167 0.015 224 HE1 TYR 31 HE2 TYR 31 -13.112 -2.277 1.698 225 HE2 TYR 31 HE1 TYR 31 -10.244 -2.158 -1.474 226 HH TYR 31 HH TYR 31 -13.155 -0.865 -0.344 227 H ALA 32 H ALA 32 -7.117 -5.232 0.854 228 HA ALA 32 HA ALA 32 -4.753 -6.022 2.340 229 HB1 ALA 32 3HB ALA 32 -5.673 -7.612 -0.079 230 HB2 ALA 32 1HB ALA 32 -5.637 -8.191 1.585 231 HB3 ALA 32 2HB ALA 32 -4.127 -7.812 0.756 232 H VAL 33 H VAL 33 -2.822 -5.883 0.897 233 HA VAL 33 HA VAL 33 -3.065 -3.863 -1.251 234 HB VAL 33 HB VAL 33 -2.262 -2.716 0.774 235 HG11 VAL 33 1HG1 VAL 33 -0.173 -3.333 1.916 236 HG12 VAL 33 2HG1 VAL 33 0.004 -4.742 0.870 237 HG13 VAL 33 3HG1 VAL 33 -1.349 -4.642 2.001 238 HG21 VAL 33 3HG2 VAL 33 0.011 -3.111 -1.213 239 HG22 VAL 33 1HG2 VAL 33 -0.125 -1.776 -0.062 240 HG23 VAL 33 2HG2 VAL 33 -1.312 -1.951 -1.357 241 H ALA 34 H ALA 34 -1.843 -4.352 -3.061 242 HA ALA 34 HA ALA 34 0.052 -6.612 -2.945 243 HB1 ALA 34 3HB ALA 34 -1.373 -5.436 -5.357 244 HB2 ALA 34 1HB ALA 34 -1.777 -6.953 -4.550 245 HB3 ALA 34 2HB ALA 34 -0.230 -6.781 -5.384 246 H LEU 35 H LEU 35 1.952 -5.684 -2.410 247 HA LEU 35 HA LEU 35 2.879 -3.246 -3.747 248 HB2 LEU 35 2HB LEU 35 3.381 -3.509 -1.345 249 HB3 LEU 35 1HB LEU 35 4.222 -5.013 -1.672 250 HG LEU 35 HG LEU 35 5.878 -3.675 -3.100 251 HD11 LEU 35 1HD1 LEU 35 4.522 -1.707 -3.544 252 HD12 LEU 35 2HD1 LEU 35 6.034 -1.258 -2.760 253 HD13 LEU 35 3HD1 LEU 35 4.531 -1.278 -1.829 254 HD21 LEU 35 3HD2 LEU 35 6.416 -4.439 -0.831 255 HD22 LEU 35 1HD2 LEU 35 5.772 -2.934 -0.165 256 HD23 LEU 35 2HD2 LEU 35 7.192 -2.907 -1.219 257 H ASN 36 H ASN 36 3.501 -3.595 -5.785 258 HA ASN 36 HA ASN 36 4.457 -4.362 -7.672 259 HB2 ASN 36 2HB ASN 36 6.388 -5.651 -5.691 260 HB3 ASN 36 1HB ASN 36 6.688 -5.546 -7.423 261 HD21 ASN 36 1HD2 ASN 36 8.640 -4.409 -6.731 262 HD22 ASN 36 2HD2 ASN 36 8.558 -2.712 -6.435 263 H TYR 37 H TYR 37 2.267 -5.692 -6.677 264 HA TYR 37 HA TYR 37 0.864 -7.331 -7.169 265 HB2 TYR 37 2HB TYR 37 3.100 -8.381 -8.940 266 HB3 TYR 37 1HB TYR 37 1.510 -9.136 -8.862 267 HD1 TYR 37 HD1 TYR 37 -0.536 -7.502 -9.284 268 HD2 TYR 37 HD2 TYR 37 3.448 -6.684 -10.587 269 HE1 TYR 37 HE1 TYR 37 -1.412 -5.943 -10.960 270 HE2 TYR 37 HE2 TYR 37 2.576 -5.117 -12.254 271 HH TYR 37 HH TYR 37 -0.596 -3.954 -12.230 272 H ASP 38 H ASP 38 3.207 -7.599 -5.102 273 HA ASP 38 HA ASP 38 2.544 -10.359 -4.246 274 HB2 ASP 38 2HB ASP 38 4.954 -9.880 -4.261 275 HB3 ASP 38 1HB ASP 38 4.706 -8.426 -3.299 276 H VAL 39 H VAL 39 0.722 -10.360 -3.098 277 HA VAL 39 HA VAL 39 -0.332 -8.099 -1.734 278 HB VAL 39 HB VAL 39 -1.232 -11.012 -1.646 279 HG11 VAL 39 1HG1 VAL 39 -3.378 -10.172 -0.736 280 HG12 VAL 39 2HG1 VAL 39 -2.718 -8.534 -0.670 281 HG13 VAL 39 3HG1 VAL 39 -2.042 -9.804 0.355 282 HG21 VAL 39 3HG2 VAL 39 -2.987 -10.311 -3.227 283 HG22 VAL 39 1HG2 VAL 39 -1.384 -9.996 -3.897 284 HG23 VAL 39 2HG2 VAL 39 -2.342 -8.666 -3.238 285 H VAL 40 H VAL 40 0.072 -7.463 0.273 286 HA VAL 40 HA VAL 40 1.854 -8.992 2.006 287 HB VAL 40 HB VAL 40 0.957 -6.089 2.241 288 HG11 VAL 40 1HG1 VAL 40 2.837 -5.820 3.820 289 HG12 VAL 40 2HG1 VAL 40 3.221 -7.537 3.672 290 HG13 VAL 40 3HG1 VAL 40 1.693 -7.034 4.401 291 HG21 VAL 40 3HG2 VAL 40 3.557 -7.177 1.080 292 HG22 VAL 40 1HG2 VAL 40 3.182 -5.468 1.332 293 HG23 VAL 40 2HG2 VAL 40 2.255 -6.413 0.164 294 HA PRO 41 HA PRO 41 -1.691 -10.080 4.754 295 HB2 PRO 41 2HB PRO 41 0.068 -10.621 6.938 296 HB3 PRO 41 1HB PRO 41 -0.537 -11.805 5.773 297 HG2 PRO 41 2HG PRO 41 2.077 -10.377 5.818 298 HG3 PRO 41 1HG PRO 41 1.708 -12.037 5.309 299 HD2 PRO 41 2HD PRO 41 2.189 -10.109 3.505 300 HD3 PRO 41 1HD PRO 41 0.964 -11.363 3.188 301 H ARG 42 H ARG 42 -2.752 -8.988 6.441 302 HA ARG 42 HA ARG 42 -2.330 -6.224 6.602 303 HB2 ARG 42 2HB ARG 42 -4.572 -7.228 6.850 304 HB3 ARG 42 1HB ARG 42 -4.106 -7.928 8.400 305 HG2 ARG 42 2HG ARG 42 -3.874 -5.711 9.396 306 HG3 ARG 42 1HG ARG 42 -4.150 -4.943 7.831 307 HD2 ARG 42 2HD ARG 42 -6.454 -5.816 7.808 308 HD3 ARG 42 1HD ARG 42 -6.184 -6.584 9.379 309 HE ARG 42 HE ARG 42 -5.528 -3.949 9.756 310 HH11 ARG 42 2HH1 ARG 42 -8.464 -5.585 8.734 311 HH12 ARG 42 1HH1 ARG 42 -9.502 -4.375 9.399 312 HH21 ARG 42 1HH2 ARG 42 -6.902 -2.421 10.634 313 HH22 ARG 42 2HH2 ARG 42 -8.617 -2.592 10.472 314 H GLY 43 H GLY 43 -1.605 -8.753 8.975 315 HA2 GLY 43 2HA GLY 43 -0.600 -6.986 11.013 316 HA3 GLY 43 1HA GLY 43 -0.468 -8.730 10.974 317 H LYS 44 H LYS 44 0.681 -7.397 8.094 318 HA LYS 44 HA LYS 44 3.482 -7.223 9.018 319 HB2 LYS 44 2HB LYS 44 2.802 -9.338 7.734 320 HB3 LYS 44 1HB LYS 44 2.556 -8.297 6.338 321 HG2 LYS 44 2HG LYS 44 4.882 -7.726 6.269 322 HG3 LYS 44 1HG LYS 44 5.176 -8.529 7.812 323 HD2 LYS 44 2HD LYS 44 4.587 -10.703 6.752 324 HD3 LYS 44 1HD LYS 44 4.394 -9.872 5.204 325 HE2 LYS 44 2HE LYS 44 6.597 -10.975 5.364 326 HE3 LYS 44 1HE LYS 44 6.769 -9.225 5.251 327 HZ1 LYS 44 3HZ LYS 44 8.244 -10.075 6.911 328 HZ2 LYS 44 1HZ LYS 44 6.981 -10.854 7.714 329 HZ3 LYS 44 2HZ LYS 44 7.042 -9.168 7.681 330 H TRP 45 H TRP 45 0.884 -5.589 7.542 331 HA TRP 45 HA TRP 45 2.024 -3.908 5.621 332 HB2 TRP 45 2HB TRP 45 -0.119 -3.227 7.670 333 HB3 TRP 45 1HB TRP 45 0.300 -2.173 6.333 334 HD1 TRP 45 HD1 TRP 45 0.381 -5.307 4.630 335 HE1 TRP 45 HE1 TRP 45 -1.891 -5.925 3.606 336 HE3 TRP 45 HE3 TRP 45 -2.588 -2.034 7.207 337 HZ2 TRP 45 HZ2 TRP 45 -4.593 -5.122 3.846 338 HZ3 TRP 45 HZ3 TRP 45 -5.006 -2.013 6.742 339 HH2 TRP 45 HH2 TRP 45 -5.993 -3.526 5.091 340 H ASP 46 H ASP 46 2.258 -3.741 9.113 341 HA ASP 46 HA ASP 46 3.548 -1.194 9.330 342 HB2 ASP 46 2HB ASP 46 3.970 -1.812 11.683 343 HB3 ASP 46 1HB ASP 46 2.303 -2.143 11.232 344 H GLU 47 H GLU 47 4.648 -4.555 9.175 345 HA GLU 47 HA GLU 47 7.449 -4.081 9.421 346 HB2 GLU 47 2HB GLU 47 5.945 -6.411 8.150 347 HB3 GLU 47 1HB GLU 47 7.657 -6.420 8.578 348 HG2 GLU 47 2HG GLU 47 7.125 -6.272 10.939 349 HG3 GLU 47 1HG GLU 47 5.406 -6.042 10.576 350 H THR 48 H THR 48 5.253 -3.575 6.821 351 HA THR 48 HA THR 48 7.319 -3.751 4.734 352 HB THR 48 HB THR 48 4.360 -3.107 4.349 353 HG1 THR 48 HG1 THR 48 5.079 -5.247 5.393 354 HG21 THR 48 3HG2 THR 48 6.428 -4.287 2.440 355 HG22 THR 48 1HG2 THR 48 5.862 -2.611 2.409 356 HG23 THR 48 2HG2 THR 48 4.745 -3.929 2.053 357 HA PRO 49 HA PRO 49 7.542 0.859 5.027 358 HB2 PRO 49 2HB PRO 49 9.822 1.135 3.505 359 HB3 PRO 49 1HB PRO 49 9.868 0.711 5.232 360 HG2 PRO 49 2HG PRO 49 10.090 -1.105 2.844 361 HG3 PRO 49 1HG PRO 49 11.054 -1.095 4.339 362 HD2 PRO 49 2HD PRO 49 9.007 -2.850 3.958 363 HD3 PRO 49 1HD PRO 49 9.418 -2.223 5.568 364 H VAL 50 H VAL 50 7.093 2.476 3.483 365 HA VAL 50 HA VAL 50 6.217 1.649 0.781 366 HB VAL 50 HB VAL 50 5.722 4.263 2.301 367 HG11 VAL 50 1HG1 VAL 50 4.522 3.311 -0.322 368 HG12 VAL 50 2HG1 VAL 50 5.674 4.631 -0.128 369 HG13 VAL 50 3HG1 VAL 50 4.049 4.778 0.543 370 HG21 VAL 50 3HG2 VAL 50 4.531 2.369 3.346 371 HG22 VAL 50 1HG2 VAL 50 3.779 1.985 1.795 372 HG23 VAL 50 2HG2 VAL 50 3.405 3.510 2.605 373 H THR 51 H THR 51 7.468 2.258 -0.956 374 HA THR 51 HA THR 51 9.505 4.382 -0.615 375 HB THR 51 HB THR 51 10.970 3.030 -2.211 376 HG1 THR 51 HG1 THR 51 9.306 1.609 -2.923 377 HG21 THR 51 3HG2 THR 51 11.861 1.504 -0.474 378 HG22 THR 51 1HG2 THR 51 10.405 1.759 0.494 379 HG23 THR 51 2HG2 THR 51 11.511 3.102 0.190 380 H ALA 52 H ALA 52 9.667 5.809 -2.220 381 HA ALA 52 HA ALA 52 7.496 6.355 -3.882 382 HB1 ALA 52 3HB ALA 52 9.041 8.038 -2.999 383 HB2 ALA 52 1HB ALA 52 8.860 8.188 -4.755 384 HB3 ALA 52 2HB ALA 52 10.312 7.447 -4.072 385 H GLY 53 H GLY 53 6.993 5.893 -5.963 386 HA2 GLY 53 2HA GLY 53 7.353 5.480 -8.229 387 HA3 GLY 53 1HA GLY 53 8.987 4.955 -7.888 388 H ASP 54 H ASP 54 7.246 3.278 -5.663 389 HA ASP 54 HA ASP 54 7.090 0.882 -7.359 390 HB2 ASP 54 2HB ASP 54 6.907 1.285 -4.349 391 HB3 ASP 54 1HB ASP 54 6.565 -0.273 -5.101 392 H GLU 55 H GLU 55 5.279 -0.647 -6.958 393 HA GLU 55 HA GLU 55 2.798 0.739 -7.711 394 HB2 GLU 55 2HB GLU 55 3.562 -2.191 -8.138 395 HB3 GLU 55 1HB GLU 55 2.180 -1.360 -8.831 396 HG2 GLU 55 2HG GLU 55 3.744 -1.537 -10.598 397 HG3 GLU 55 1HG GLU 55 3.844 0.141 -10.062 398 H ILE 56 H ILE 56 1.479 1.006 -6.015 399 HA ILE 56 HA ILE 56 1.098 -1.117 -3.997 400 HB ILE 56 HB ILE 56 0.624 1.891 -3.832 401 HG12 ILE 56 2HG1 ILE 56 2.752 0.155 -2.498 402 HG13 ILE 56 1HG1 ILE 56 3.027 1.220 -3.871 403 HG21 ILE 56 1HG2 ILE 56 0.312 -0.174 -1.631 404 HG22 ILE 56 2HG2 ILE 56 -1.005 0.687 -2.429 405 HG23 ILE 56 3HG2 ILE 56 0.152 1.572 -1.434 406 HD11 ILE 56 3HD1 ILE 56 2.429 3.141 -2.437 407 HD12 ILE 56 1HD1 ILE 56 3.841 2.244 -1.884 408 HD13 ILE 56 2HD1 ILE 56 2.294 2.032 -1.068 409 H GLU 57 H GLU 57 -0.478 -2.312 -4.991 410 HA GLU 57 HA GLU 57 -2.950 -1.080 -5.961 411 HB2 GLU 57 2HB GLU 57 -1.661 -3.778 -6.240 412 HB3 GLU 57 1HB GLU 57 -3.412 -3.765 -6.251 413 HG2 GLU 57 2HG GLU 57 -2.536 -3.720 -8.528 414 HG3 GLU 57 1HG GLU 57 -3.440 -2.256 -8.166 415 H ILE 58 H ILE 58 -4.949 -1.399 -4.997 416 HA ILE 58 HA ILE 58 -4.974 -2.630 -2.288 417 HB ILE 58 HB ILE 58 -6.461 -0.140 -3.244 418 HG12 ILE 58 2HG1 ILE 58 -4.383 -0.473 -1.023 419 HG13 ILE 58 1HG1 ILE 58 -4.026 0.139 -2.634 420 HG21 ILE 58 1HG2 ILE 58 -7.431 -0.004 -0.962 421 HG22 ILE 58 2HG2 ILE 58 -6.681 -1.552 -0.563 422 HG23 ILE 58 3HG2 ILE 58 -7.939 -1.476 -1.796 423 HD11 ILE 58 3HD1 ILE 58 -5.512 2.040 -2.220 424 HD12 ILE 58 1HD1 ILE 58 -4.189 1.937 -1.060 425 HD13 ILE 58 2HD1 ILE 58 -5.810 1.433 -0.589 426 H LEU 59 H LEU 59 -6.126 -4.367 -2.258 427 HA LEU 59 HA LEU 59 -8.530 -4.715 -3.907 428 HB2 LEU 59 2HB LEU 59 -7.798 -7.008 -4.588 429 HB3 LEU 59 1HB LEU 59 -6.853 -5.732 -5.301 430 HG LEU 59 HG LEU 59 -5.400 -7.589 -4.856 431 HD11 LEU 59 1HD1 LEU 59 -4.351 -5.444 -4.510 432 HD12 LEU 59 2HD1 LEU 59 -3.636 -6.678 -3.480 433 HD13 LEU 59 3HD1 LEU 59 -4.752 -5.494 -2.791 434 HD21 LEU 59 3HD2 LEU 59 -4.983 -8.617 -2.703 435 HD22 LEU 59 1HD2 LEU 59 -6.680 -8.769 -3.149 436 HD23 LEU 59 2HD2 LEU 59 -6.194 -7.578 -1.940 437 H THR 60 H THR 60 -9.924 -6.400 -3.093 438 HA THR 60 HA THR 60 -9.467 -7.075 -0.243 439 HB THR 60 HB THR 60 -11.006 -5.244 -0.233 440 HG1 THR 60 HG1 THR 60 -11.586 -6.759 1.240 441 HG21 THR 60 3HG2 THR 60 -11.827 -5.321 -2.581 442 HG22 THR 60 1HG2 THR 60 -13.151 -5.167 -1.424 443 HG23 THR 60 2HG2 THR 60 -12.816 -6.726 -2.178 444 HA PRO 61 HA PRO 61 -10.093 -11.029 -2.532 445 HB2 PRO 61 2HB PRO 61 -8.711 -12.645 -0.777 446 HB3 PRO 61 1HB PRO 61 -7.905 -11.650 -2.009 447 HG2 PRO 61 2HG PRO 61 -8.253 -11.105 0.923 448 HG3 PRO 61 1HG PRO 61 -6.835 -10.830 -0.116 449 HD2 PRO 61 2HD PRO 61 -8.562 -8.819 0.588 450 HD3 PRO 61 1HD PRO 61 -7.648 -8.812 -0.929 451 H ARG 62 H ARG 62 -12.090 -11.846 -2.354 452 HA ARG 62 HA ARG 62 -13.645 -11.743 0.013 453 HB2 ARG 62 2HB ARG 62 -15.392 -12.968 -1.335 454 HB3 ARG 62 1HB ARG 62 -14.792 -11.486 -2.065 455 HG2 ARG 62 2HG ARG 62 -13.275 -12.962 -3.505 456 HG3 ARG 62 1HG ARG 62 -14.199 -14.348 -2.912 457 HD2 ARG 62 2HD ARG 62 -16.261 -13.398 -3.866 458 HD3 ARG 62 1HD ARG 62 -15.387 -11.947 -4.370 459 HE ARG 62 HE ARG 62 -14.463 -14.508 -5.435 460 HH11 ARG 62 2HH1 ARG 62 -16.331 -11.588 -6.061 461 HH12 ARG 62 1HH1 ARG 62 -16.303 -11.793 -7.780 462 HH21 ARG 62 1HH2 ARG 62 -14.427 -14.742 -7.702 463 HH22 ARG 62 2HH2 ARG 62 -15.228 -13.580 -8.707 464 H GLN 63 H GLN 63 -12.089 -14.542 -1.654 465 HA GLN 63 HA GLN 63 -12.786 -16.444 0.379 466 HB2 GLN 63 2HB GLN 63 -11.158 -17.940 -0.683 467 HB3 GLN 63 1HB GLN 63 -12.141 -17.153 -1.911 468 HG2 GLN 63 2HG GLN 63 -10.299 -15.604 -2.422 469 HG3 GLN 63 1HG GLN 63 -9.327 -16.328 -1.144 470 HE21 GLN 63 1HE2 GLN 63 -10.722 -16.852 -4.320 471 HE22 GLN 63 2HE2 GLN 63 -9.704 -18.177 -4.753 472 H GLY 64 H GLY 64 -10.318 -14.020 0.118 473 HA2 GLY 64 2HA GLY 64 -8.464 -15.279 2.005 474 HA3 GLY 64 1HA GLY 64 -8.222 -13.779 1.116 475 H GLY 65 H GLY 65 -11.138 -14.420 2.982 476 HA2 GLY 65 2HA GLY 65 -10.717 -12.224 4.802 477 HA3 GLY 65 1HA GLY 65 -12.065 -13.346 4.796 478 H LEU 66 H LEU 66 -12.206 -14.665 6.508 479 HA LEU 66 HA LEU 66 -9.913 -15.830 7.833 480 HB2 LEU 66 2HB LEU 66 -9.961 -13.605 8.909 481 HB3 LEU 66 1HB LEU 66 -11.657 -13.807 9.311 482 HG LEU 66 HG LEU 66 -11.073 -15.657 10.880 483 HD11 LEU 66 1HD1 LEU 66 -9.080 -16.535 9.806 484 HD12 LEU 66 2HD1 LEU 66 -8.749 -16.125 11.484 485 HD13 LEU 66 3HD1 LEU 66 -8.185 -15.061 10.192 486 HD21 LEU 66 3HD2 LEU 66 -11.241 -13.374 11.739 487 HD22 LEU 66 1HD2 LEU 66 -9.522 -13.107 11.422 488 HD23 LEU 66 2HD2 LEU 66 -10.031 -14.297 12.625 489 H GLU 67 H GLU 67 -11.078 -17.604 6.940 490 HA GLU 67 HA GLU 67 -12.631 -18.943 8.890 491 HB2 GLU 67 2HB GLU 67 -14.655 -19.415 7.439 492 HB3 GLU 67 1HB GLU 67 -14.543 -17.763 8.038 493 HG2 GLU 67 2HG GLU 67 -13.680 -17.009 5.850 494 HG3 GLU 67 1HG GLU 67 -13.797 -18.664 5.239 495 H HIS 68 H HIS 68 -12.527 -21.100 8.648 496 HA HIS 68 HA HIS 68 -11.563 -22.276 6.104 497 HB2 HIS 68 2HB HIS 68 -9.833 -22.381 7.897 498 HB3 HIS 68 1HB HIS 68 -10.970 -23.214 8.953 499 HD1 HIS 68 HD1 HIS 68 -11.092 -25.725 8.728 500 HD2 HIS 68 HD2 HIS 68 -9.030 -23.963 5.586 501 HE1 HIS 68 HE1 HIS 68 -10.177 -27.624 7.370 502 HE2 HIS 68 HE2 HIS 68 -9.102 -26.522 5.378 503 H HIS 69 H HIS 69 -14.274 -21.870 7.901 504 HA HIS 69 HA HIS 69 -15.260 -24.609 7.970 505 HB2 HIS 69 2HB HIS 69 -15.794 -22.887 9.760 506 HB3 HIS 69 1HB HIS 69 -16.811 -22.068 8.582 507 HD1 HIS 69 HD1 HIS 69 -19.183 -22.572 9.171 508 HD2 HIS 69 HD2 HIS 69 -16.734 -25.894 9.640 509 HE1 HIS 69 HE1 HIS 69 -20.709 -24.456 9.814 510 HE2 HIS 69 HE2 HIS 69 -19.210 -26.468 10.040 511 H HIS 70 H HIS 70 -14.566 -23.887 5.422 512 HA HIS 70 HA HIS 70 -16.925 -24.678 3.986 513 HB2 HIS 70 2HB HIS 70 -15.501 -22.051 3.365 514 HB3 HIS 70 1HB HIS 70 -16.311 -22.948 2.096 515 HD1 HIS 70 HD1 HIS 70 -16.961 -20.103 3.836 516 HD2 HIS 70 HD2 HIS 70 -19.158 -23.584 3.391 517 HE1 HIS 70 HE1 HIS 70 -19.336 -19.462 4.301 518 HE2 HIS 70 HE2 HIS 70 -20.665 -21.557 3.901 519 H HIS 71 H HIS 71 -16.177 -26.428 2.972 520 HA HIS 71 HA HIS 71 -13.562 -26.440 1.647 521 HB2 HIS 71 2HB HIS 71 -13.035 -28.692 2.555 522 HB3 HIS 71 1HB HIS 71 -13.162 -27.507 3.844 523 HD1 HIS 71 HD1 HIS 71 -14.698 -30.645 2.571 524 HD2 HIS 71 HD2 HIS 71 -15.430 -27.869 5.563 525 HE1 HIS 71 HE1 HIS 71 -16.360 -31.731 4.096 526 HE2 HIS 71 HE2 HIS 71 -16.906 -29.966 5.811 527 H HIS 72 H HIS 72 -13.723 -27.249 -0.351 528 HA HIS 72 HA HIS 72 -16.269 -28.305 -1.311 529 HB2 HIS 72 2HB HIS 72 -13.706 -27.555 -2.778 530 HB3 HIS 72 1HB HIS 72 -15.147 -28.177 -3.580 531 HD1 HIS 72 HD1 HIS 72 -13.826 -25.136 -1.821 532 HD2 HIS 72 HD2 HIS 72 -17.270 -26.346 -3.803 533 HE1 HIS 72 HE1 HIS 72 -15.188 -23.061 -2.140 534 HE2 HIS 72 HE2 HIS 72 -17.290 -23.824 -3.295 535 H HIS 73 H HIS 73 -12.941 -29.415 -0.840 536 HA HIS 73 HA HIS 73 -13.643 -32.190 -1.444 537 HB2 HIS 73 2HB HIS 73 -11.377 -31.498 -2.063 538 HB3 HIS 73 1HB HIS 73 -11.053 -30.920 -0.431 539 HD1 HIS 73 HD1 HIS 73 -10.047 -32.568 1.160 540 HD2 HIS 73 HD2 HIS 73 -11.620 -34.436 -2.197 541 HE1 HIS 73 HE1 HIS 73 -9.341 -34.967 1.333 542 HE2 HIS 73 HE2 HIS 73 -10.474 -36.107 -0.601 Start of MODEL 15 1 H1 MET 1 1H MET 1 7.445 10.398 0.138 2 H2 MET 1 2H MET 1 5.881 9.785 0.018 3 H3 MET 1 3H MET 1 6.277 11.237 -0.748 4 HA MET 1 HA MET 1 7.795 10.120 -2.194 5 HB2 MET 1 2HB MET 1 7.823 7.615 -2.238 6 HB3 MET 1 1HB MET 1 8.505 8.291 -0.768 7 HG2 MET 1 2HG MET 1 5.674 7.227 -0.939 8 HG3 MET 1 1HG MET 1 7.058 6.249 -0.452 9 HE1 MET 1 3HE MET 1 8.438 6.625 1.755 10 HE2 MET 1 1HE MET 1 8.205 7.998 2.840 11 HE3 MET 1 2HE MET 1 8.807 8.256 1.198 12 H LEU 2 H LEU 2 6.943 9.975 -4.189 13 HA LEU 2 HA LEU 2 4.066 9.738 -4.578 14 HB2 LEU 2 2HB LEU 2 5.544 11.494 -5.671 15 HB3 LEU 2 1HB LEU 2 6.278 10.224 -6.626 16 HG LEU 2 HG LEU 2 3.275 10.683 -6.782 17 HD11 LEU 2 1HD1 LEU 2 4.244 12.896 -7.142 18 HD12 LEU 2 2HD1 LEU 2 3.583 12.250 -8.642 19 HD13 LEU 2 3HD1 LEU 2 5.329 12.241 -8.373 20 HD21 LEU 2 3HD2 LEU 2 5.290 9.654 -8.812 21 HD22 LEU 2 1HD2 LEU 2 3.549 9.821 -9.079 22 HD23 LEU 2 2HD2 LEU 2 4.152 8.676 -7.885 23 H VAL 3 H VAL 3 3.197 7.799 -4.890 24 HA VAL 3 HA VAL 3 4.753 5.532 -6.024 25 HB VAL 3 HB VAL 3 3.659 4.045 -4.222 26 HG11 VAL 3 1HG1 VAL 3 5.323 4.543 -2.487 27 HG12 VAL 3 2HG1 VAL 3 5.631 6.120 -3.220 28 HG13 VAL 3 3HG1 VAL 3 6.036 4.644 -4.101 29 HG21 VAL 3 3HG2 VAL 3 1.902 5.625 -3.467 30 HG22 VAL 3 1HG2 VAL 3 3.140 6.703 -2.821 31 HG23 VAL 3 2HG2 VAL 3 2.909 5.098 -2.117 32 H THR 4 H THR 4 3.569 4.162 -7.335 33 HA THR 4 HA THR 4 1.006 4.928 -8.301 34 HB THR 4 HB THR 4 2.508 2.297 -8.687 35 HG1 THR 4 HG1 THR 4 2.815 3.543 -10.841 36 HG21 THR 4 3HG2 THR 4 1.163 2.062 -10.752 37 HG22 THR 4 1HG2 THR 4 0.254 3.512 -10.320 38 HG23 THR 4 2HG2 THR 4 0.137 2.066 -9.316 39 H ILE 5 H ILE 5 -0.629 4.879 -6.805 40 HA ILE 5 HA ILE 5 -1.086 2.445 -5.195 41 HB ILE 5 HB ILE 5 -2.124 5.280 -4.788 42 HG12 ILE 5 2HG1 ILE 5 -0.234 3.537 -3.154 43 HG13 ILE 5 1HG1 ILE 5 0.204 4.966 -4.081 44 HG21 ILE 5 1HG2 ILE 5 -3.914 3.682 -4.175 45 HG22 ILE 5 2HG2 ILE 5 -3.265 4.485 -2.748 46 HG23 ILE 5 3HG2 ILE 5 -2.794 2.825 -3.113 47 HD11 ILE 5 3HD1 ILE 5 0.174 5.498 -1.747 48 HD12 ILE 5 1HD1 ILE 5 -1.470 4.882 -1.567 49 HD13 ILE 5 2HD1 ILE 5 -1.168 6.333 -2.529 50 H ASN 6 H ASN 6 -2.271 1.076 -6.371 51 HA ASN 6 HA ASN 6 -3.951 0.100 -7.514 52 HB2 ASN 6 2HB ASN 6 -5.357 0.943 -5.665 53 HB3 ASN 6 1HB ASN 6 -5.544 2.493 -6.463 54 HD21 ASN 6 1HD2 ASN 6 -6.377 -0.940 -6.674 55 HD22 ASN 6 2HD2 ASN 6 -7.809 -0.711 -7.610 56 H GLY 7 H GLY 7 -2.105 1.804 -8.886 57 HA2 GLY 7 2HA GLY 7 -1.807 2.274 -11.159 58 HA3 GLY 7 1HA GLY 7 -3.544 2.224 -11.410 59 H GLU 8 H GLU 8 -3.227 4.138 -8.809 60 HA GLU 8 HA GLU 8 -3.214 6.625 -10.410 61 HB2 GLU 8 2HB GLU 8 -4.401 6.166 -7.630 62 HB3 GLU 8 1HB GLU 8 -4.592 7.600 -8.638 63 HG2 GLU 8 2HG GLU 8 -5.714 4.838 -9.201 64 HG3 GLU 8 1HG GLU 8 -6.629 6.236 -8.640 65 H GLN 9 H GLN 9 -1.160 7.432 -10.316 66 HA GLN 9 HA GLN 9 0.730 6.962 -8.254 67 HB2 GLN 9 2HB GLN 9 0.599 9.107 -10.404 68 HB3 GLN 9 1HB GLN 9 1.937 8.991 -9.269 69 HG2 GLN 9 2HG GLN 9 2.390 6.688 -10.096 70 HG3 GLN 9 1HG GLN 9 1.105 6.898 -11.285 71 HE21 GLN 9 1HE2 GLN 9 1.756 9.681 -11.907 72 HE22 GLN 9 2HE2 GLN 9 3.237 9.646 -12.788 73 H ARG 10 H ARG 10 0.502 7.646 -6.245 74 HA ARG 10 HA ARG 10 -1.018 10.086 -5.600 75 HB2 ARG 10 2HB ARG 10 -1.981 7.594 -5.192 76 HB3 ARG 10 1HB ARG 10 -0.958 7.670 -3.770 77 HG2 ARG 10 2HG ARG 10 -3.216 9.577 -4.434 78 HG3 ARG 10 1HG ARG 10 -3.299 8.244 -3.280 79 HD2 ARG 10 2HD ARG 10 -1.610 9.353 -1.871 80 HD3 ARG 10 1HD ARG 10 -1.481 10.681 -3.034 81 HE ARG 10 HE ARG 10 -4.155 10.508 -2.360 82 HH11 ARG 10 1HH1 ARG 10 -1.151 11.193 -0.652 83 HH12 ARG 10 2HH1 ARG 10 -1.925 12.188 0.537 84 HH21 ARG 10 2HH2 ARG 10 -5.137 11.779 -0.776 85 HH22 ARG 10 1HH2 ARG 10 -4.179 12.516 0.467 86 H GLU 11 H GLU 11 0.253 11.517 -4.591 87 HA GLU 11 HA GLU 11 2.852 10.880 -3.490 88 HB2 GLU 11 2HB GLU 11 2.559 12.928 -4.795 89 HB3 GLU 11 1HB GLU 11 1.258 13.473 -3.747 90 HG2 GLU 11 2HG GLU 11 3.343 14.713 -3.352 91 HG3 GLU 11 1HG GLU 11 2.820 13.831 -1.917 92 H VAL 12 H VAL 12 2.996 10.079 -1.508 93 HA VAL 12 HA VAL 12 1.164 10.921 0.687 94 HB VAL 12 HB VAL 12 1.291 8.639 1.628 95 HG11 VAL 12 1HG1 VAL 12 0.358 8.623 -1.263 96 HG12 VAL 12 2HG1 VAL 12 -0.591 9.099 0.150 97 HG13 VAL 12 3HG1 VAL 12 -0.075 7.422 -0.043 98 HG21 VAL 12 3HG2 VAL 12 2.906 7.887 -0.849 99 HG22 VAL 12 1HG2 VAL 12 2.271 6.744 0.339 100 HG23 VAL 12 2HG2 VAL 12 3.496 7.919 0.815 101 H GLN 13 H GLN 13 2.198 10.435 2.900 102 HA GLN 13 HA GLN 13 5.162 10.572 2.890 103 HB2 GLN 13 2HB GLN 13 3.281 12.305 4.549 104 HB3 GLN 13 1HB GLN 13 5.001 12.147 4.892 105 HG2 GLN 13 2HG GLN 13 3.831 13.244 2.313 106 HG3 GLN 13 1HG GLN 13 4.440 14.220 3.647 107 HE21 GLN 13 1HE2 GLN 13 6.706 14.259 4.036 108 HE22 GLN 13 2HE2 GLN 13 7.834 13.795 2.809 109 H SER 14 H SER 14 2.921 8.515 3.470 110 HA SER 14 HA SER 14 3.731 7.627 6.154 111 HB2 SER 14 2HB SER 14 1.995 5.794 5.661 112 HB3 SER 14 1HB SER 14 1.371 7.442 5.786 113 HG SER 14 HG SER 14 1.930 5.985 3.413 114 H ALA 15 H ALA 15 5.640 6.667 6.161 115 HA ALA 15 HA ALA 15 6.682 5.074 3.967 116 HB1 ALA 15 3HB ALA 15 7.888 5.623 6.698 117 HB2 ALA 15 1HB ALA 15 8.180 6.553 5.226 118 HB3 ALA 15 2HB ALA 15 8.708 4.873 5.326 119 H SER 16 H SER 16 4.547 4.393 6.379 120 HA SER 16 HA SER 16 5.207 1.506 6.441 121 HB2 SER 16 2HB SER 16 4.970 2.470 8.704 122 HB3 SER 16 1HB SER 16 3.409 3.163 8.280 123 HG SER 16 HG SER 16 3.881 0.803 9.309 124 H VAL 17 H VAL 17 3.839 0.100 5.453 125 HA VAL 17 HA VAL 17 1.792 1.022 3.689 126 HB VAL 17 HB VAL 17 2.521 -1.817 4.555 127 HG11 VAL 17 1HG1 VAL 17 0.202 -1.811 3.729 128 HG12 VAL 17 2HG1 VAL 17 1.262 -2.604 2.561 129 HG13 VAL 17 3HG1 VAL 17 0.706 -0.954 2.271 130 HG21 VAL 17 3HG2 VAL 17 3.215 -0.263 2.034 131 HG22 VAL 17 1HG2 VAL 17 3.665 -1.940 2.361 132 HG23 VAL 17 2HG2 VAL 17 4.324 -0.638 3.354 133 H ALA 18 H ALA 18 1.785 -0.165 7.003 134 HA ALA 18 HA ALA 18 -1.005 -0.554 7.363 135 HB1 ALA 18 3HB ALA 18 1.093 0.291 9.397 136 HB2 ALA 18 1HB ALA 18 0.634 -1.367 8.998 137 HB3 ALA 18 2HB ALA 18 -0.528 -0.297 9.780 138 H ALA 19 H ALA 19 1.104 2.214 8.159 139 HA ALA 19 HA ALA 19 -0.866 4.076 8.866 140 HB1 ALA 19 3HB ALA 19 0.894 5.766 8.545 141 HB2 ALA 19 1HB ALA 19 1.883 4.586 7.686 142 HB3 ALA 19 2HB ALA 19 1.518 4.352 9.399 143 H LEU 20 H LEU 20 0.383 3.099 5.756 144 HA LEU 20 HA LEU 20 -0.626 5.217 4.171 145 HB2 LEU 20 2HB LEU 20 1.208 3.749 3.454 146 HB3 LEU 20 1HB LEU 20 0.124 2.369 3.440 147 HG LEU 20 HG LEU 20 -1.137 3.338 1.547 148 HD11 LEU 20 1HD1 LEU 20 -0.863 5.716 2.040 149 HD12 LEU 20 2HD1 LEU 20 -0.364 5.350 0.393 150 HD13 LEU 20 3HD1 LEU 20 0.857 5.617 1.641 151 HD21 LEU 20 3HD2 LEU 20 0.570 3.111 -0.175 152 HD22 LEU 20 1HD2 LEU 20 0.772 1.885 1.073 153 HD23 LEU 20 2HD2 LEU 20 1.844 3.289 1.036 154 H MET 21 H MET 21 -1.854 1.860 4.693 155 HA MET 21 HA MET 21 -4.248 2.328 3.199 156 HB2 MET 21 2HB MET 21 -3.604 0.085 5.147 157 HB3 MET 21 1HB MET 21 -4.992 0.118 4.063 158 HG2 MET 21 2HG MET 21 -3.351 0.250 2.135 159 HG3 MET 21 1HG MET 21 -2.069 -0.061 3.302 160 HE1 MET 21 3HE MET 21 -5.059 -1.545 1.267 161 HE2 MET 21 1HE MET 21 -5.766 -1.551 2.887 162 HE3 MET 21 2HE MET 21 -5.353 -3.072 2.095 163 H THR 22 H THR 22 -3.386 2.892 6.537 164 HA THR 22 HA THR 22 -6.066 3.313 7.492 165 HB THR 22 HB THR 22 -3.421 4.312 8.631 166 HG1 THR 22 HG1 THR 22 -3.239 2.274 9.163 167 HG21 THR 22 3HG2 THR 22 -4.636 4.535 10.777 168 HG22 THR 22 1HG2 THR 22 -6.144 4.101 9.970 169 HG23 THR 22 2HG2 THR 22 -5.324 5.609 9.556 170 H GLU 23 H GLU 23 -3.518 5.344 6.098 171 HA GLU 23 HA GLU 23 -4.731 7.899 6.286 172 HB2 GLU 23 2HB GLU 23 -2.326 7.525 5.709 173 HB3 GLU 23 1HB GLU 23 -2.804 6.783 4.192 174 HG2 GLU 23 2HG GLU 23 -2.058 8.988 3.683 175 HG3 GLU 23 1HG GLU 23 -3.814 8.983 3.497 176 H LEU 24 H LEU 24 -4.914 5.317 3.908 177 HA LEU 24 HA LEU 24 -6.601 6.788 2.047 178 HB2 LEU 24 2HB LEU 24 -5.621 3.914 1.961 179 HB3 LEU 24 1HB LEU 24 -6.384 4.776 0.635 180 HG LEU 24 HG LEU 24 -3.663 5.453 1.830 181 HD11 LEU 24 1HD1 LEU 24 -4.289 4.072 -0.786 182 HD12 LEU 24 2HD1 LEU 24 -3.592 3.327 0.654 183 HD13 LEU 24 3HD1 LEU 24 -2.689 4.564 -0.215 184 HD21 LEU 24 3HD2 LEU 24 -3.370 6.944 -0.097 185 HD22 LEU 24 1HD2 LEU 24 -4.713 7.452 0.921 186 HD23 LEU 24 2HD2 LEU 24 -5.031 6.631 -0.611 187 H ASP 25 H ASP 25 -7.175 5.149 4.871 188 HA ASP 25 HA ASP 25 -8.894 4.186 5.951 189 HB2 ASP 25 2HB ASP 25 -10.542 5.528 3.777 190 HB3 ASP 25 1HB ASP 25 -11.252 4.752 5.190 191 H CYS 26 H CYS 26 -7.579 2.743 3.711 192 HA CYS 26 HA CYS 26 -9.534 0.815 2.717 193 HB2 CYS 26 2HB CYS 26 -6.513 0.963 2.308 194 HB3 CYS 26 1HB CYS 26 -7.650 -0.036 1.400 195 HG CYS 26 HG CYS 26 -8.653 3.059 1.187 196 H THR 27 H THR 27 -8.636 1.099 5.639 197 HA THR 27 HA THR 27 -7.713 -1.642 6.221 198 HB THR 27 HB THR 27 -7.655 -0.650 8.639 199 HG1 THR 27 HG1 THR 27 -7.819 1.511 8.852 200 HG21 THR 27 3HG2 THR 27 -5.760 0.456 6.539 201 HG22 THR 27 1HG2 THR 27 -5.585 -1.071 7.406 202 HG23 THR 27 2HG2 THR 27 -5.457 0.456 8.277 203 H ASP 28 H ASP 28 -10.468 0.399 6.102 204 HA ASP 28 HA ASP 28 -12.114 -1.151 7.959 205 HB2 ASP 28 2HB ASP 28 -12.765 1.287 6.226 206 HB3 ASP 28 1HB ASP 28 -13.872 0.550 7.384 207 H GLY 29 H GLY 29 -13.446 -2.759 7.303 208 HA2 GLY 29 2HA GLY 29 -14.739 -4.097 5.897 209 HA3 GLY 29 1HA GLY 29 -14.381 -3.018 4.556 210 H HIS 30 H HIS 30 -14.230 -5.316 3.592 211 HA HIS 30 HA HIS 30 -11.722 -6.705 4.150 212 HB2 HIS 30 2HB HIS 30 -12.472 -8.358 2.450 213 HB3 HIS 30 1HB HIS 30 -13.624 -8.129 3.753 214 HD1 HIS 30 HD1 HIS 30 -13.296 -8.024 0.090 215 HD2 HIS 30 HD2 HIS 30 -16.022 -6.749 2.946 216 HE1 HIS 30 HE1 HIS 30 -15.423 -7.587 -1.156 217 HE2 HIS 30 HE2 HIS 30 -17.017 -6.704 0.573 218 H TYR 31 H TYR 31 -10.181 -5.165 3.569 219 HA TYR 31 HA TYR 31 -9.670 -4.978 0.652 220 HB2 TYR 31 2HB TYR 31 -9.150 -2.841 2.759 221 HB3 TYR 31 1HB TYR 31 -8.476 -2.788 1.134 222 HD1 TYR 31 HD2 TYR 31 -10.022 -2.545 -0.845 223 HD2 TYR 31 HD1 TYR 31 -11.427 -2.151 3.170 224 HE1 TYR 31 HE2 TYR 31 -12.068 -1.451 -1.657 225 HE2 TYR 31 HE1 TYR 31 -13.462 -1.052 2.365 226 HH TYR 31 HH TYR 31 -14.190 0.229 0.323 227 H ALA 32 H ALA 32 -7.561 -5.183 0.022 228 HA ALA 32 HA ALA 32 -5.490 -5.895 1.978 229 HB1 ALA 32 3HB ALA 32 -4.844 -7.828 0.558 230 HB2 ALA 32 1HB ALA 32 -6.233 -7.520 -0.490 231 HB3 ALA 32 2HB ALA 32 -6.483 -8.008 1.186 232 H VAL 33 H VAL 33 -3.346 -5.740 1.045 233 HA VAL 33 HA VAL 33 -3.121 -3.889 -1.261 234 HB VAL 33 HB VAL 33 -2.525 -2.808 0.893 235 HG11 VAL 33 1HG1 VAL 33 -0.540 -3.501 2.167 236 HG12 VAL 33 2HG1 VAL 33 -0.324 -4.887 1.101 237 HG13 VAL 33 3HG1 VAL 33 -1.752 -4.781 2.133 238 HG21 VAL 33 3HG2 VAL 33 -0.117 -3.199 -0.924 239 HG22 VAL 33 1HG2 VAL 33 -0.317 -1.893 0.248 240 HG23 VAL 33 2HG2 VAL 33 -1.402 -2.009 -1.140 241 H ALA 34 H ALA 34 -1.494 -4.286 -2.745 242 HA ALA 34 HA ALA 34 0.240 -6.642 -2.386 243 HB1 ALA 34 3HB ALA 34 -0.051 -7.165 -4.769 244 HB2 ALA 34 1HB ALA 34 -1.182 -5.820 -4.941 245 HB3 ALA 34 2HB ALA 34 -1.598 -7.199 -3.920 246 H LEU 35 H LEU 35 2.147 -5.672 -1.976 247 HA LEU 35 HA LEU 35 3.056 -3.355 -3.536 248 HB2 LEU 35 2HB LEU 35 3.481 -3.293 -1.119 249 HB3 LEU 35 1HB LEU 35 4.363 -4.808 -1.203 250 HG LEU 35 HG LEU 35 6.127 -3.680 -2.608 251 HD11 LEU 35 1HD1 LEU 35 6.187 -1.250 -2.801 252 HD12 LEU 35 2HD1 LEU 35 4.594 -1.131 -2.046 253 HD13 LEU 35 3HD1 LEU 35 4.776 -1.920 -3.616 254 HD21 LEU 35 3HD2 LEU 35 5.616 -2.333 0.058 255 HD22 LEU 35 1HD2 LEU 35 7.151 -2.360 -0.820 256 HD23 LEU 35 2HD2 LEU 35 6.464 -3.859 -0.202 257 H ASN 36 H ASN 36 4.199 -3.612 -5.316 258 HA ASN 36 HA ASN 36 5.444 -4.392 -7.016 259 HB2 ASN 36 2HB ASN 36 6.760 -6.138 -4.890 260 HB3 ASN 36 1HB ASN 36 7.394 -5.901 -6.511 261 HD21 ASN 36 1HD2 ASN 36 6.734 -3.045 -6.614 262 HD22 ASN 36 2HD2 ASN 36 7.843 -2.267 -5.553 263 H TYR 37 H TYR 37 2.914 -5.409 -6.670 264 HA TYR 37 HA TYR 37 1.452 -6.850 -7.553 265 HB2 TYR 37 2HB TYR 37 3.793 -8.192 -8.966 266 HB3 TYR 37 1HB TYR 37 2.091 -8.363 -9.389 267 HD1 TYR 37 HD1 TYR 37 0.841 -6.143 -10.090 268 HD2 TYR 37 HD2 TYR 37 5.096 -6.537 -10.054 269 HE1 TYR 37 HE1 TYR 37 1.022 -4.230 -11.627 270 HE2 TYR 37 HE2 TYR 37 5.292 -4.628 -11.580 271 HH TYR 37 HH TYR 37 2.756 -2.488 -12.203 272 H ASP 38 H ASP 38 2.923 -7.432 -5.046 273 HA ASP 38 HA ASP 38 2.211 -10.295 -4.711 274 HB2 ASP 38 2HB ASP 38 4.681 -10.108 -4.884 275 HB3 ASP 38 1HB ASP 38 4.698 -8.879 -3.623 276 H VAL 39 H VAL 39 0.765 -10.526 -3.091 277 HA VAL 39 HA VAL 39 -0.282 -8.297 -1.690 278 HB VAL 39 HB VAL 39 -0.847 -11.255 -1.190 279 HG11 VAL 39 1HG1 VAL 39 -2.975 -10.492 -0.171 280 HG12 VAL 39 2HG1 VAL 39 -2.476 -8.813 -0.382 281 HG13 VAL 39 3HG1 VAL 39 -1.583 -9.868 0.717 282 HG21 VAL 39 3HG2 VAL 39 -2.824 -10.931 -2.648 283 HG22 VAL 39 1HG2 VAL 39 -1.323 -10.611 -3.525 284 HG23 VAL 39 2HG2 VAL 39 -2.322 -9.269 -2.963 285 H VAL 40 H VAL 40 0.268 -7.435 0.204 286 HA VAL 40 HA VAL 40 2.379 -8.588 1.873 287 HB VAL 40 HB VAL 40 0.933 -5.902 2.091 288 HG11 VAL 40 1HG1 VAL 40 2.783 -5.199 3.567 289 HG12 VAL 40 2HG1 VAL 40 3.469 -6.822 3.481 290 HG13 VAL 40 3HG1 VAL 40 1.904 -6.569 4.252 291 HG21 VAL 40 3HG2 VAL 40 3.650 -6.500 0.881 292 HG22 VAL 40 1HG2 VAL 40 2.940 -4.895 1.090 293 HG23 VAL 40 2HG2 VAL 40 2.193 -6.054 -0.014 294 HA PRO 41 HA PRO 41 -0.837 -10.194 4.749 295 HB2 PRO 41 2HB PRO 41 1.466 -10.531 6.624 296 HB3 PRO 41 1HB PRO 41 0.342 -11.758 6.008 297 HG2 PRO 41 2HG PRO 41 2.890 -11.671 5.197 298 HG3 PRO 41 1HG PRO 41 1.579 -12.122 4.079 299 HD2 PRO 41 2HD PRO 41 3.022 -9.488 4.335 300 HD3 PRO 41 1HD PRO 41 2.533 -10.363 2.863 301 H ARG 42 H ARG 42 -1.939 -9.332 6.541 302 HA ARG 42 HA ARG 42 -1.642 -6.583 7.075 303 HB2 ARG 42 2HB ARG 42 -3.268 -8.660 8.597 304 HB3 ARG 42 1HB ARG 42 -3.337 -6.924 8.933 305 HG2 ARG 42 2HG ARG 42 -3.992 -6.571 6.526 306 HG3 ARG 42 1HG ARG 42 -4.123 -8.322 6.367 307 HD2 ARG 42 2HD ARG 42 -5.892 -8.366 8.071 308 HD3 ARG 42 1HD ARG 42 -5.718 -6.623 8.313 309 HE ARG 42 HE ARG 42 -6.893 -6.230 6.373 310 HH11 ARG 42 1HH1 ARG 42 -6.176 -9.682 6.564 311 HH12 ARG 42 2HH1 ARG 42 -7.220 -10.090 5.243 312 HH21 ARG 42 2HH2 ARG 42 -8.201 -6.789 4.600 313 HH22 ARG 42 1HH2 ARG 42 -8.369 -8.454 4.134 314 H GLY 43 H GLY 43 -0.602 -9.366 8.990 315 HA2 GLY 43 2HA GLY 43 0.403 -8.011 11.253 316 HA3 GLY 43 1HA GLY 43 0.889 -9.594 10.691 317 H LYS 44 H LYS 44 1.616 -8.104 8.020 318 HA LYS 44 HA LYS 44 4.287 -7.183 8.866 319 HB2 LYS 44 2HB LYS 44 3.291 -8.342 6.248 320 HB3 LYS 44 1HB LYS 44 4.833 -7.493 6.361 321 HG2 LYS 44 2HG LYS 44 5.515 -9.128 8.147 322 HG3 LYS 44 1HG LYS 44 4.037 -10.041 7.802 323 HD2 LYS 44 2HD LYS 44 4.769 -10.463 5.528 324 HD3 LYS 44 1HD LYS 44 6.159 -9.391 5.717 325 HE2 LYS 44 2HE LYS 44 6.836 -11.754 5.854 326 HE3 LYS 44 1HE LYS 44 7.118 -10.924 7.385 327 HZ1 LYS 44 3HZ LYS 44 4.804 -12.691 6.777 328 HZ2 LYS 44 1HZ LYS 44 5.073 -11.896 8.247 329 HZ3 LYS 44 2HZ LYS 44 6.138 -13.099 7.729 330 H TRP 45 H TRP 45 1.294 -5.912 7.653 331 HA TRP 45 HA TRP 45 1.990 -3.961 5.807 332 HB2 TRP 45 2HB TRP 45 -0.116 -3.866 7.999 333 HB3 TRP 45 1HB TRP 45 0.083 -2.522 6.890 334 HD1 TRP 45 HD1 TRP 45 0.525 -5.505 4.831 335 HE1 TRP 45 HE1 TRP 45 -1.651 -6.126 3.629 336 HE3 TRP 45 HE3 TRP 45 -2.745 -2.620 7.503 337 HZ2 TRP 45 HZ2 TRP 45 -4.389 -5.473 3.749 338 HZ3 TRP 45 HZ3 TRP 45 -5.135 -2.681 6.890 339 HH2 TRP 45 HH2 TRP 45 -5.941 -4.078 5.054 340 H ASP 46 H ASP 46 2.265 -3.751 9.316 341 HA ASP 46 HA ASP 46 3.003 -1.021 9.540 342 HB2 ASP 46 2HB ASP 46 3.457 -1.534 11.889 343 HB3 ASP 46 1HB ASP 46 1.974 -2.331 11.380 344 H GLU 47 H GLU 47 4.925 -4.033 9.399 345 HA GLU 47 HA GLU 47 7.459 -2.562 9.653 346 HB2 GLU 47 2HB GLU 47 8.521 -4.828 9.640 347 HB3 GLU 47 1HB GLU 47 7.325 -4.629 10.916 348 HG2 GLU 47 2HG GLU 47 5.754 -6.013 9.832 349 HG3 GLU 47 1HG GLU 47 6.593 -5.912 8.287 350 H THR 48 H THR 48 5.448 -3.197 7.089 351 HA THR 48 HA THR 48 7.544 -3.727 5.105 352 HB THR 48 HB THR 48 4.554 -3.275 4.668 353 HG1 THR 48 HG1 THR 48 5.648 -5.295 5.803 354 HG21 THR 48 3HG2 THR 48 6.654 -4.437 2.791 355 HG22 THR 48 1HG2 THR 48 5.937 -2.828 2.635 356 HG23 THR 48 2HG2 THR 48 4.931 -4.265 2.445 357 HA PRO 49 HA PRO 49 7.851 0.813 4.879 358 HB2 PRO 49 2HB PRO 49 10.107 1.002 3.373 359 HB3 PRO 49 1HB PRO 49 10.164 0.467 5.067 360 HG2 PRO 49 2HG PRO 49 10.241 -1.200 2.565 361 HG3 PRO 49 1HG PRO 49 11.212 -1.355 4.046 362 HD2 PRO 49 2HD PRO 49 8.988 -2.899 3.519 363 HD3 PRO 49 1HD PRO 49 9.560 -2.538 5.163 364 H VAL 50 H VAL 50 7.418 2.435 3.372 365 HA VAL 50 HA VAL 50 6.475 1.657 0.674 366 HB VAL 50 HB VAL 50 5.863 4.116 2.396 367 HG11 VAL 50 1HG1 VAL 50 4.800 3.441 -0.362 368 HG12 VAL 50 2HG1 VAL 50 5.877 4.774 0.036 369 HG13 VAL 50 3HG1 VAL 50 4.225 4.765 0.655 370 HG21 VAL 50 3HG2 VAL 50 4.708 2.081 3.183 371 HG22 VAL 50 1HG2 VAL 50 4.052 1.820 1.562 372 HG23 VAL 50 2HG2 VAL 50 3.559 3.234 2.497 373 H THR 51 H THR 51 7.866 2.127 -0.957 374 HA THR 51 HA THR 51 9.730 4.424 -0.732 375 HB THR 51 HB THR 51 11.137 3.000 -2.450 376 HG1 THR 51 HG1 THR 51 9.628 1.342 -2.740 377 HG21 THR 51 3HG2 THR 51 11.959 3.537 -0.191 378 HG22 THR 51 1HG2 THR 51 12.406 1.894 -0.670 379 HG23 THR 51 2HG2 THR 51 11.080 2.153 0.463 380 H ALA 52 H ALA 52 10.158 5.547 -2.655 381 HA ALA 52 HA ALA 52 7.797 6.220 -4.021 382 HB1 ALA 52 3HB ALA 52 9.558 7.837 -3.458 383 HB2 ALA 52 1HB ALA 52 9.185 7.881 -5.186 384 HB3 ALA 52 2HB ALA 52 10.650 7.075 -4.616 385 H GLY 53 H GLY 53 6.980 5.608 -5.953 386 HA2 GLY 53 2HA GLY 53 6.946 5.037 -8.194 387 HA3 GLY 53 1HA GLY 53 8.641 4.614 -8.125 388 H ASP 54 H ASP 54 7.244 2.998 -5.578 389 HA ASP 54 HA ASP 54 7.165 0.473 -7.036 390 HB2 ASP 54 2HB ASP 54 6.826 1.177 -4.092 391 HB3 ASP 54 1HB ASP 54 6.645 -0.469 -4.701 392 H GLU 55 H GLU 55 5.426 -1.031 -6.860 393 HA GLU 55 HA GLU 55 2.897 0.195 -7.618 394 HB2 GLU 55 2HB GLU 55 3.600 -2.776 -7.765 395 HB3 GLU 55 1HB GLU 55 2.315 -1.936 -8.623 396 HG2 GLU 55 2HG GLU 55 3.968 -2.371 -10.250 397 HG3 GLU 55 1HG GLU 55 4.149 -0.664 -9.870 398 H ILE 56 H ILE 56 1.967 0.750 -5.669 399 HA ILE 56 HA ILE 56 1.442 -1.330 -3.643 400 HB ILE 56 HB ILE 56 0.939 1.679 -3.561 401 HG12 ILE 56 2HG1 ILE 56 3.140 0.005 -2.282 402 HG13 ILE 56 1HG1 ILE 56 3.345 1.093 -3.649 403 HG21 ILE 56 1HG2 ILE 56 -0.631 0.426 -2.119 404 HG22 ILE 56 2HG2 ILE 56 0.499 1.373 -1.154 405 HG23 ILE 56 3HG2 ILE 56 0.732 -0.367 -1.324 406 HD11 ILE 56 3HD1 ILE 56 2.730 2.972 -2.171 407 HD12 ILE 56 1HD1 ILE 56 4.192 2.115 -1.691 408 HD13 ILE 56 2HD1 ILE 56 2.688 1.842 -0.814 409 H GLU 57 H GLU 57 -0.190 -2.512 -4.493 410 HA GLU 57 HA GLU 57 -2.401 -1.244 -5.937 411 HB2 GLU 57 2HB GLU 57 -1.757 -4.191 -5.514 412 HB3 GLU 57 1HB GLU 57 -2.975 -3.538 -6.617 413 HG2 GLU 57 2HG GLU 57 -1.212 -2.418 -7.912 414 HG3 GLU 57 1HG GLU 57 0.006 -3.033 -6.803 415 H ILE 58 H ILE 58 -4.136 -0.650 -4.782 416 HA ILE 58 HA ILE 58 -4.812 -2.088 -2.280 417 HB ILE 58 HB ILE 58 -6.021 0.515 -3.330 418 HG12 ILE 58 2HG1 ILE 58 -3.658 0.892 -2.671 419 HG13 ILE 58 1HG1 ILE 58 -4.749 1.688 -1.546 420 HG21 ILE 58 1HG2 ILE 58 -7.047 0.705 -1.069 421 HG22 ILE 58 2HG2 ILE 58 -6.370 -0.869 -0.639 422 HG23 ILE 58 3HG2 ILE 58 -7.585 -0.751 -1.913 423 HD11 ILE 58 3HD1 ILE 58 -2.881 0.673 -0.415 424 HD12 ILE 58 1HD1 ILE 58 -3.294 -0.906 -1.075 425 HD13 ILE 58 2HD1 ILE 58 -4.384 -0.111 0.070 426 H LEU 59 H LEU 59 -6.301 -3.675 -2.521 427 HA LEU 59 HA LEU 59 -8.434 -3.395 -4.525 428 HB2 LEU 59 2HB LEU 59 -8.184 -5.820 -5.149 429 HB3 LEU 59 1HB LEU 59 -6.913 -4.772 -5.715 430 HG LEU 59 HG LEU 59 -6.051 -6.977 -5.116 431 HD11 LEU 59 1HD1 LEU 59 -4.504 -5.122 -4.887 432 HD12 LEU 59 2HD1 LEU 59 -4.152 -6.399 -3.727 433 HD13 LEU 59 3HD1 LEU 59 -4.962 -4.923 -3.192 434 HD21 LEU 59 3HD2 LEU 59 -5.987 -7.866 -2.858 435 HD22 LEU 59 1HD2 LEU 59 -7.649 -7.635 -3.394 436 HD23 LEU 59 2HD2 LEU 59 -6.923 -6.491 -2.260 437 H THR 60 H THR 60 -10.209 -4.964 -4.151 438 HA THR 60 HA THR 60 -10.633 -5.498 -1.264 439 HB THR 60 HB THR 60 -12.185 -3.825 -1.923 440 HG1 THR 60 HG1 THR 60 -13.197 -5.318 -0.667 441 HG21 THR 60 3HG2 THR 60 -13.032 -5.501 -4.316 442 HG22 THR 60 1HG2 THR 60 -12.105 -3.999 -4.386 443 HG23 THR 60 2HG2 THR 60 -13.773 -3.984 -3.809 444 HA PRO 61 HA PRO 61 -10.254 -9.715 -3.071 445 HB2 PRO 61 2HB PRO 61 -9.960 -11.018 -0.627 446 HB3 PRO 61 1HB PRO 61 -8.626 -10.216 -1.480 447 HG2 PRO 61 2HG PRO 61 -10.298 -9.173 0.790 448 HG3 PRO 61 1HG PRO 61 -8.537 -9.074 0.552 449 HD2 PRO 61 2HD PRO 61 -10.139 -6.976 0.011 450 HD3 PRO 61 1HD PRO 61 -8.699 -7.313 -0.974 451 H ARG 62 H ARG 62 -11.883 -11.029 -3.605 452 HA ARG 62 HA ARG 62 -13.870 -12.044 -3.792 453 HB2 ARG 62 2HB ARG 62 -12.919 -12.948 -1.464 454 HB3 ARG 62 1HB ARG 62 -14.269 -12.057 -0.787 455 HG2 ARG 62 2HG ARG 62 -14.433 -14.356 -2.768 456 HG3 ARG 62 1HG ARG 62 -14.799 -14.429 -1.046 457 HD2 ARG 62 2HD ARG 62 -16.356 -12.921 -3.179 458 HD3 ARG 62 1HD ARG 62 -16.863 -14.376 -2.311 459 HE ARG 62 HE ARG 62 -16.285 -12.124 -0.603 460 HH11 ARG 62 2HH1 ARG 62 -18.841 -13.733 -2.439 461 HH12 ARG 62 1HH1 ARG 62 -20.103 -13.007 -1.501 462 HH21 ARG 62 1HH2 ARG 62 -17.975 -11.167 0.547 463 HH22 ARG 62 2HH2 ARG 62 -19.617 -11.568 0.165 464 H GLN 63 H GLN 63 -14.631 -10.082 -4.744 465 HA GLN 63 HA GLN 63 -16.966 -8.919 -3.407 466 HB2 GLN 63 2HB GLN 63 -15.084 -7.335 -2.955 467 HB3 GLN 63 1HB GLN 63 -14.754 -7.226 -4.679 468 HG2 GLN 63 2HG GLN 63 -15.944 -5.257 -4.100 469 HG3 GLN 63 1HG GLN 63 -17.090 -6.269 -4.972 470 HE21 GLN 63 1HE2 GLN 63 -17.677 -4.082 -3.244 471 HE22 GLN 63 2HE2 GLN 63 -18.606 -4.683 -1.920 472 H GLY 64 H GLY 64 -14.960 -8.955 -6.347 473 HA2 GLY 64 2HA GLY 64 -15.449 -9.642 -8.471 474 HA3 GLY 64 1HA GLY 64 -17.090 -10.001 -7.970 475 H GLY 65 H GLY 65 -18.096 -7.588 -7.210 476 HA2 GLY 65 2HA GLY 65 -17.849 -5.358 -8.767 477 HA3 GLY 65 1HA GLY 65 -18.748 -6.489 -9.788 478 H LEU 66 H LEU 66 -20.004 -7.797 -7.452 479 HA LEU 66 HA LEU 66 -22.220 -5.983 -7.034 480 HB2 LEU 66 2HB LEU 66 -21.746 -8.834 -6.068 481 HB3 LEU 66 1HB LEU 66 -23.231 -7.932 -5.810 482 HG LEU 66 HG LEU 66 -22.124 -8.835 -8.502 483 HD11 LEU 66 1HD1 LEU 66 -23.067 -10.679 -7.221 484 HD12 LEU 66 2HD1 LEU 66 -24.076 -10.301 -8.612 485 HD13 LEU 66 3HD1 LEU 66 -24.575 -9.788 -6.998 486 HD21 LEU 66 3HD2 LEU 66 -24.209 -7.961 -9.485 487 HD22 LEU 66 1HD2 LEU 66 -23.242 -6.680 -8.756 488 HD23 LEU 66 2HD2 LEU 66 -24.672 -7.289 -7.918 489 H GLU 67 H GLU 67 -21.900 -4.460 -5.580 490 HA GLU 67 HA GLU 67 -20.411 -4.356 -3.251 491 HB2 GLU 67 2HB GLU 67 -23.179 -3.121 -3.599 492 HB3 GLU 67 1HB GLU 67 -21.898 -2.559 -2.525 493 HG2 GLU 67 2HG GLU 67 -20.533 -1.946 -4.500 494 HG3 GLU 67 1HG GLU 67 -21.816 -2.506 -5.564 495 H HIS 68 H HIS 68 -20.461 -6.304 -2.089 496 HA HIS 68 HA HIS 68 -22.812 -7.671 -1.296 497 HB2 HIS 68 2HB HIS 68 -19.923 -7.810 -0.361 498 HB3 HIS 68 1HB HIS 68 -21.172 -8.870 0.282 499 HD1 HIS 68 HD1 HIS 68 -18.701 -8.752 -2.330 500 HD2 HIS 68 HD2 HIS 68 -22.470 -10.426 -1.917 501 HE1 HIS 68 HE1 HIS 68 -18.846 -10.537 -4.077 502 HE2 HIS 68 HE2 HIS 68 -21.150 -11.509 -3.834 503 H HIS 69 H HIS 69 -20.905 -5.138 0.261 504 HA HIS 69 HA HIS 69 -23.025 -4.445 2.071 505 HB2 HIS 69 2HB HIS 69 -22.053 -6.355 3.321 506 HB3 HIS 69 1HB HIS 69 -20.462 -5.612 3.250 507 HD1 HIS 69 HD1 HIS 69 -23.690 -5.518 5.100 508 HD2 HIS 69 HD2 HIS 69 -20.084 -3.465 5.076 509 HE1 HIS 69 HE1 HIS 69 -23.638 -4.211 7.238 510 HE2 HIS 69 HE2 HIS 69 -21.364 -3.150 7.286 511 H HIS 70 H HIS 70 -22.942 -2.346 1.514 512 HA HIS 70 HA HIS 70 -20.568 -0.749 2.204 513 HB2 HIS 70 2HB HIS 70 -21.881 -0.777 -0.547 514 HB3 HIS 70 1HB HIS 70 -21.058 0.665 0.038 515 HD1 HIS 70 HD1 HIS 70 -18.497 0.608 0.189 516 HD2 HIS 70 HD2 HIS 70 -20.165 -2.898 -1.276 517 HE1 HIS 70 HE1 HIS 70 -16.576 -0.724 -0.711 518 HE2 HIS 70 HE2 HIS 70 -17.631 -2.759 -1.731 519 H HIS 71 H HIS 71 -21.074 1.556 2.429 520 HA HIS 71 HA HIS 71 -23.601 1.954 3.791 521 HB2 HIS 71 2HB HIS 71 -21.178 3.783 3.442 522 HB3 HIS 71 1HB HIS 71 -22.612 4.236 4.349 523 HD1 HIS 71 HD1 HIS 71 -22.823 3.397 6.709 524 HD2 HIS 71 HD2 HIS 71 -19.614 1.715 4.675 525 HE1 HIS 71 HE1 HIS 71 -21.483 2.187 8.447 526 HE2 HIS 71 HE2 HIS 71 -19.451 1.338 7.221 527 H HIS 72 H HIS 72 -24.987 1.761 1.973 528 HA HIS 72 HA HIS 72 -25.060 3.734 -0.138 529 HB2 HIS 72 2HB HIS 72 -27.170 1.744 0.849 530 HB3 HIS 72 1HB HIS 72 -27.364 2.761 -0.578 531 HD1 HIS 72 HD1 HIS 72 -26.326 1.965 -2.724 532 HD2 HIS 72 HD2 HIS 72 -25.111 -0.282 0.553 533 HE1 HIS 72 HE1 HIS 72 -25.038 0.031 -3.664 534 HE2 HIS 72 HE2 HIS 72 -24.393 -1.356 -1.674 535 H HIS 73 H HIS 73 -26.971 3.113 2.802 536 HA HIS 73 HA HIS 73 -27.162 5.940 3.428 537 HB2 HIS 73 2HB HIS 73 -29.137 5.569 1.888 538 HB3 HIS 73 1HB HIS 73 -29.752 4.366 3.017 539 HD1 HIS 73 HD1 HIS 73 -29.144 8.069 2.683 540 HD2 HIS 73 HD2 HIS 73 -31.125 5.439 5.221 541 HE1 HIS 73 HE1 HIS 73 -30.503 9.505 4.221 542 HE2 HIS 73 HE2 HIS 73 -31.753 7.895 5.695 Start of MODEL 16 1 H1 MET 1 1H MET 1 5.569 10.577 -0.346 2 H2 MET 1 2H MET 1 5.913 11.936 -1.282 3 H3 MET 1 3H MET 1 7.004 11.430 -0.098 4 HA MET 1 HA MET 1 7.785 10.855 -2.271 5 HB2 MET 1 2HB MET 1 8.121 8.390 -1.863 6 HB3 MET 1 1HB MET 1 8.466 9.390 -0.463 7 HG2 MET 1 2HG MET 1 6.267 8.792 0.491 8 HG3 MET 1 1HG MET 1 5.959 7.765 -0.910 9 HE1 MET 1 3HE MET 1 8.192 8.291 2.301 10 HE2 MET 1 1HE MET 1 9.395 8.256 1.009 11 HE3 MET 1 2HE MET 1 9.306 6.932 2.169 12 H LEU 2 H LEU 2 7.246 10.459 -4.367 13 HA LEU 2 HA LEU 2 4.447 10.025 -5.017 14 HB2 LEU 2 2HB LEU 2 5.756 11.687 -6.286 15 HB3 LEU 2 1HB LEU 2 6.858 10.436 -6.826 16 HG LEU 2 HG LEU 2 4.923 9.339 -8.041 17 HD11 LEU 2 1HD1 LEU 2 2.884 10.616 -8.495 18 HD12 LEU 2 2HD1 LEU 2 3.413 11.891 -7.394 19 HD13 LEU 2 3HD1 LEU 2 3.051 10.278 -6.774 20 HD21 LEU 2 3HD2 LEU 2 5.562 12.167 -8.949 21 HD22 LEU 2 1HD2 LEU 2 4.948 10.854 -9.959 22 HD23 LEU 2 2HD2 LEU 2 6.555 10.739 -9.248 23 H VAL 3 H VAL 3 3.759 8.024 -4.818 24 HA VAL 3 HA VAL 3 5.231 5.763 -6.061 25 HB VAL 3 HB VAL 3 3.834 4.277 -4.623 26 HG11 VAL 3 1HG1 VAL 3 5.325 6.393 -3.015 27 HG12 VAL 3 2HG1 VAL 3 6.047 4.985 -3.796 28 HG13 VAL 3 3HG1 VAL 3 4.920 4.767 -2.458 29 HG21 VAL 3 3HG2 VAL 3 2.756 6.844 -3.372 30 HG22 VAL 3 1HG2 VAL 3 2.443 5.207 -2.787 31 HG23 VAL 3 2HG2 VAL 3 1.836 5.713 -4.364 32 H THR 4 H THR 4 3.449 4.030 -6.765 33 HA THR 4 HA THR 4 1.340 5.412 -8.348 34 HB THR 4 HB THR 4 2.740 2.769 -9.023 35 HG1 THR 4 HG1 THR 4 3.167 5.388 -10.081 36 HG21 THR 4 3HG2 THR 4 1.738 3.089 -11.264 37 HG22 THR 4 1HG2 THR 4 0.931 4.555 -10.707 38 HG23 THR 4 2HG2 THR 4 0.477 2.986 -10.032 39 H ILE 5 H ILE 5 -0.604 5.062 -7.362 40 HA ILE 5 HA ILE 5 -1.114 2.503 -5.955 41 HB ILE 5 HB ILE 5 -2.535 5.195 -5.606 42 HG12 ILE 5 2HG1 ILE 5 -0.578 3.749 -3.749 43 HG13 ILE 5 1HG1 ILE 5 -0.206 5.189 -4.685 44 HG21 ILE 5 1HG2 ILE 5 -4.074 3.311 -5.175 45 HG22 ILE 5 2HG2 ILE 5 -3.673 4.130 -3.667 46 HG23 ILE 5 3HG2 ILE 5 -2.908 2.590 -4.063 47 HD11 ILE 5 3HD1 ILE 5 -0.591 5.705 -2.355 48 HD12 ILE 5 1HD1 ILE 5 -2.204 5.006 -2.436 49 HD13 ILE 5 2HD1 ILE 5 -1.825 6.463 -3.362 50 H ASN 6 H ASN 6 -2.194 1.127 -7.162 51 HA ASN 6 HA ASN 6 -3.744 0.087 -8.395 52 HB2 ASN 6 2HB ASN 6 -5.262 1.456 -6.825 53 HB3 ASN 6 1HB ASN 6 -5.492 2.570 -8.164 54 HD21 ASN 6 1HD2 ASN 6 -6.027 -0.716 -7.048 55 HD22 ASN 6 2HD2 ASN 6 -7.331 -1.086 -8.108 56 H GLY 7 H GLY 7 -1.699 1.735 -9.673 57 HA2 GLY 7 2HA GLY 7 -1.069 1.889 -11.917 58 HA3 GLY 7 1HA GLY 7 -2.751 1.750 -12.404 59 H GLU 8 H GLU 8 -2.583 4.027 -9.991 60 HA GLU 8 HA GLU 8 -2.209 6.323 -11.829 61 HB2 GLU 8 2HB GLU 8 -4.572 6.085 -11.303 62 HB3 GLU 8 1HB GLU 8 -4.237 5.918 -9.585 63 HG2 GLU 8 2HG GLU 8 -3.447 8.261 -9.524 64 HG3 GLU 8 1HG GLU 8 -3.815 8.425 -11.241 65 H GLN 9 H GLN 9 -0.427 7.405 -11.266 66 HA GLN 9 HA GLN 9 0.961 6.993 -8.823 67 HB2 GLN 9 2HB GLN 9 2.544 8.717 -9.641 68 HB3 GLN 9 1HB GLN 9 2.194 7.486 -10.847 69 HG2 GLN 9 2HG GLN 9 0.628 9.043 -11.976 70 HG3 GLN 9 1HG GLN 9 1.033 10.284 -10.786 71 HE21 GLN 9 1HE2 GLN 9 1.841 11.691 -12.378 72 HE22 GLN 9 2HE2 GLN 9 3.322 11.389 -13.216 73 H ARG 10 H ARG 10 0.894 8.029 -6.974 74 HA ARG 10 HA ARG 10 -0.110 10.735 -6.657 75 HB2 ARG 10 2HB ARG 10 -2.152 9.298 -6.515 76 HB3 ARG 10 1HB ARG 10 -1.422 8.388 -5.197 77 HG2 ARG 10 2HG ARG 10 -1.502 10.309 -3.737 78 HG3 ARG 10 1HG ARG 10 -1.974 11.370 -5.064 79 HD2 ARG 10 2HD ARG 10 -3.681 9.058 -4.078 80 HD3 ARG 10 1HD ARG 10 -3.846 10.716 -3.509 81 HE ARG 10 HE ARG 10 -4.413 11.365 -5.799 82 HH11 ARG 10 2HH1 ARG 10 -4.738 7.954 -5.039 83 HH12 ARG 10 1HH1 ARG 10 -5.897 7.672 -6.296 84 HH21 ARG 10 2HH2 ARG 10 -5.979 10.969 -7.405 85 HH22 ARG 10 1HH2 ARG 10 -6.592 9.359 -7.622 86 H GLU 11 H GLU 11 0.741 11.725 -4.818 87 HA GLU 11 HA GLU 11 3.115 10.479 -3.683 88 HB2 GLU 11 2HB GLU 11 3.533 12.678 -2.654 89 HB3 GLU 11 1HB GLU 11 3.213 12.845 -4.376 90 HG2 GLU 11 2HG GLU 11 1.022 13.746 -3.977 91 HG3 GLU 11 1HG GLU 11 1.077 13.299 -2.272 92 H VAL 12 H VAL 12 3.309 9.735 -1.584 93 HA VAL 12 HA VAL 12 1.023 10.107 0.276 94 HB VAL 12 HB VAL 12 1.431 7.846 1.188 95 HG11 VAL 12 1HG1 VAL 12 -0.256 8.094 -0.577 96 HG12 VAL 12 2HG1 VAL 12 0.527 6.520 -0.702 97 HG13 VAL 12 3HG1 VAL 12 0.966 7.812 -1.819 98 HG21 VAL 12 3HG2 VAL 12 3.503 7.488 -1.028 99 HG22 VAL 12 1HG2 VAL 12 2.908 6.201 0.028 100 HG23 VAL 12 2HG2 VAL 12 3.830 7.543 0.703 101 H GLN 13 H GLN 13 1.506 10.417 2.403 102 HA GLN 13 HA GLN 13 4.197 11.433 3.055 103 HB2 GLN 13 2HB GLN 13 1.498 11.702 4.456 104 HB3 GLN 13 1HB GLN 13 2.998 12.359 5.099 105 HG2 GLN 13 2HG GLN 13 1.759 14.139 4.051 106 HG3 GLN 13 1HG GLN 13 3.200 13.819 3.094 107 HE21 GLN 13 1HE2 GLN 13 2.353 14.767 1.235 108 HE22 GLN 13 2HE2 GLN 13 1.086 14.051 0.308 109 H SER 14 H SER 14 2.000 8.851 3.667 110 HA SER 14 HA SER 14 3.216 7.788 6.041 111 HB2 SER 14 2HB SER 14 1.753 5.778 5.479 112 HB3 SER 14 1HB SER 14 0.871 7.296 5.646 113 HG SER 14 HG SER 14 1.710 6.124 3.193 114 H ALA 15 H ALA 15 5.242 7.052 5.927 115 HA ALA 15 HA ALA 15 6.335 5.734 3.540 116 HB1 ALA 15 3HB ALA 15 7.674 6.550 6.145 117 HB2 ALA 15 1HB ALA 15 7.666 7.489 4.651 118 HB3 ALA 15 2HB ALA 15 8.500 5.935 4.711 119 H SER 16 H SER 16 4.269 4.485 5.382 120 HA SER 16 HA SER 16 5.507 1.839 5.408 121 HB2 SER 16 2HB SER 16 4.017 2.946 7.828 122 HB3 SER 16 1HB SER 16 4.548 1.273 7.630 123 HG SER 16 HG SER 16 5.964 2.631 8.885 124 H VAL 17 H VAL 17 3.968 0.138 5.214 125 HA VAL 17 HA VAL 17 1.784 0.785 3.495 126 HB VAL 17 HB VAL 17 2.698 -1.889 4.649 127 HG11 VAL 17 1HG1 VAL 17 0.325 -2.090 4.040 128 HG12 VAL 17 2HG1 VAL 17 1.325 -2.985 2.896 129 HG13 VAL 17 3HG1 VAL 17 0.653 -1.419 2.438 130 HG21 VAL 17 3HG2 VAL 17 3.136 -0.660 1.892 131 HG22 VAL 17 1HG2 VAL 17 3.675 -2.263 2.402 132 HG23 VAL 17 2HG2 VAL 17 4.354 -0.823 3.159 133 H ALA 18 H ALA 18 1.947 -0.317 6.893 134 HA ALA 18 HA ALA 18 -0.830 -0.724 7.314 135 HB1 ALA 18 3HB ALA 18 0.834 -1.488 8.944 136 HB2 ALA 18 1HB ALA 18 -0.353 -0.443 9.724 137 HB3 ALA 18 2HB ALA 18 1.253 0.177 9.333 138 H ALA 19 H ALA 19 1.218 2.085 8.053 139 HA ALA 19 HA ALA 19 -0.777 3.900 8.860 140 HB1 ALA 19 3HB ALA 19 0.940 5.633 8.525 141 HB2 ALA 19 1HB ALA 19 1.920 4.503 7.585 142 HB3 ALA 19 2HB ALA 19 1.631 4.211 9.300 143 H LEU 20 H LEU 20 0.403 3.029 5.668 144 HA LEU 20 HA LEU 20 -0.810 5.084 4.135 145 HB2 LEU 20 2HB LEU 20 1.015 3.738 3.240 146 HB3 LEU 20 1HB LEU 20 0.061 2.271 3.393 147 HG LEU 20 HG LEU 20 -1.492 3.104 1.631 148 HD11 LEU 20 1HD1 LEU 20 -0.903 5.072 0.275 149 HD12 LEU 20 2HD1 LEU 20 0.417 5.450 1.385 150 HD13 LEU 20 3HD1 LEU 20 -1.256 5.509 1.946 151 HD21 LEU 20 3HD2 LEU 20 0.031 2.795 -0.275 152 HD22 LEU 20 1HD2 LEU 20 0.376 1.643 1.012 153 HD23 LEU 20 2HD2 LEU 20 1.423 3.045 0.781 154 H MET 21 H MET 21 -1.841 1.715 4.802 155 HA MET 21 HA MET 21 -4.304 1.954 3.355 156 HB2 MET 21 2HB MET 21 -3.454 -0.147 5.394 157 HB3 MET 21 1HB MET 21 -4.893 -0.250 4.385 158 HG2 MET 21 2HG MET 21 -3.331 -0.103 2.371 159 HG3 MET 21 1HG MET 21 -2.008 -0.354 3.507 160 HE1 MET 21 3HE MET 21 -5.124 -1.912 1.720 161 HE2 MET 21 1HE MET 21 -5.658 -1.879 3.402 162 HE3 MET 21 2HE MET 21 -5.346 -3.420 2.607 163 H THR 22 H THR 22 -3.381 2.640 6.655 164 HA THR 22 HA THR 22 -6.071 2.972 7.628 165 HB THR 22 HB THR 22 -3.499 4.157 8.771 166 HG1 THR 22 HG1 THR 22 -3.070 2.114 9.146 167 HG21 THR 22 3HG2 THR 22 -6.178 3.563 10.116 168 HG22 THR 22 1HG2 THR 22 -5.569 5.174 9.715 169 HG23 THR 22 2HG2 THR 22 -4.738 4.192 10.917 170 H GLU 23 H GLU 23 -3.664 5.026 6.069 171 HA GLU 23 HA GLU 23 -4.998 7.531 6.424 172 HB2 GLU 23 2HB GLU 23 -2.533 7.263 5.920 173 HB3 GLU 23 1HB GLU 23 -2.949 6.779 4.280 174 HG2 GLU 23 2HG GLU 23 -2.240 9.116 4.359 175 HG3 GLU 23 1HG GLU 23 -3.932 9.003 3.871 176 H LEU 24 H LEU 24 -5.179 4.963 4.033 177 HA LEU 24 HA LEU 24 -6.867 6.493 2.188 178 HB2 LEU 24 2HB LEU 24 -5.909 3.609 2.026 179 HB3 LEU 24 1HB LEU 24 -6.697 4.509 0.739 180 HG LEU 24 HG LEU 24 -3.933 5.052 1.880 181 HD11 LEU 24 1HD1 LEU 24 -4.744 4.010 -0.846 182 HD12 LEU 24 2HD1 LEU 24 -3.970 3.092 0.450 183 HD13 LEU 24 3HD1 LEU 24 -3.098 4.406 -0.333 184 HD21 LEU 24 3HD2 LEU 24 -4.975 7.182 1.301 185 HD22 LEU 24 1HD2 LEU 24 -5.375 6.577 -0.309 186 HD23 LEU 24 2HD2 LEU 24 -3.689 6.797 0.162 187 H ASP 25 H ASP 25 -7.498 4.991 5.017 188 HA ASP 25 HA ASP 25 -9.298 4.171 6.094 189 HB2 ASP 25 2HB ASP 25 -10.875 5.055 3.641 190 HB3 ASP 25 1HB ASP 25 -11.588 4.569 5.177 191 H CYS 26 H CYS 26 -7.745 2.515 4.237 192 HA CYS 26 HA CYS 26 -9.569 0.447 3.255 193 HB2 CYS 26 2HB CYS 26 -6.550 0.764 2.991 194 HB3 CYS 26 1HB CYS 26 -7.553 -0.405 2.130 195 HG CYS 26 HG CYS 26 -8.795 2.555 1.574 196 H THR 27 H THR 27 -9.371 0.778 6.111 197 HA THR 27 HA THR 27 -8.282 -1.836 6.894 198 HB THR 27 HB THR 27 -6.525 -0.164 7.431 199 HG1 THR 27 HG1 THR 27 -7.839 -1.250 9.728 200 HG21 THR 27 3HG2 THR 27 -8.593 1.108 9.261 201 HG22 THR 27 1HG2 THR 27 -7.954 1.821 7.777 202 HG23 THR 27 2HG2 THR 27 -6.890 1.555 9.158 203 H ASP 28 H ASP 28 -10.854 0.358 6.948 204 HA ASP 28 HA ASP 28 -11.901 0.044 9.555 205 HB2 ASP 28 2HB ASP 28 -13.944 1.055 8.703 206 HB3 ASP 28 1HB ASP 28 -12.560 1.885 8.006 207 H GLY 29 H GLY 29 -12.416 -1.771 6.565 208 HA2 GLY 29 2HA GLY 29 -13.920 -3.870 8.049 209 HA3 GLY 29 1HA GLY 29 -14.062 -3.550 6.320 210 H HIS 30 H HIS 30 -13.216 -5.219 5.262 211 HA HIS 30 HA HIS 30 -10.646 -6.430 6.113 212 HB2 HIS 30 2HB HIS 30 -12.595 -7.963 6.368 213 HB3 HIS 30 1HB HIS 30 -13.010 -7.735 4.675 214 HD1 HIS 30 HD1 HIS 30 -10.632 -9.520 6.920 215 HD2 HIS 30 HD2 HIS 30 -11.376 -9.175 2.848 216 HE1 HIS 30 HE1 HIS 30 -9.355 -11.396 5.843 217 HE2 HIS 30 HE2 HIS 30 -9.777 -11.137 3.375 218 H TYR 31 H TYR 31 -9.208 -5.389 4.822 219 HA TYR 31 HA TYR 31 -9.511 -5.524 1.877 220 HB2 TYR 31 2HB TYR 31 -8.293 -3.174 3.413 221 HB3 TYR 31 1HB TYR 31 -8.392 -3.319 1.660 222 HD1 TYR 31 HD1 TYR 31 -10.397 -2.819 4.761 223 HD2 TYR 31 HD2 TYR 31 -10.446 -2.757 0.482 224 HE1 TYR 31 HE1 TYR 31 -12.588 -1.736 4.797 225 HE2 TYR 31 HE2 TYR 31 -12.644 -1.660 0.532 226 HH TYR 31 HH TYR 31 -13.964 -0.348 3.416 227 H ALA 32 H ALA 32 -7.496 -5.630 0.749 228 HA ALA 32 HA ALA 32 -5.114 -6.446 2.316 229 HB1 ALA 32 3HB ALA 32 -4.599 -8.111 0.544 230 HB2 ALA 32 1HB ALA 32 -6.097 -7.695 -0.293 231 HB3 ALA 32 2HB ALA 32 -6.158 -8.454 1.298 232 H VAL 33 H VAL 33 -3.139 -6.292 0.841 233 HA VAL 33 HA VAL 33 -3.276 -4.066 -1.105 234 HB VAL 33 HB VAL 33 -2.550 -3.101 1.062 235 HG11 VAL 33 1HG1 VAL 33 -0.463 -3.777 2.176 236 HG12 VAL 33 2HG1 VAL 33 -0.247 -5.080 1.009 237 HG13 VAL 33 3HG1 VAL 33 -1.615 -5.113 2.124 238 HG21 VAL 33 3HG2 VAL 33 -0.248 -3.249 -0.930 239 HG22 VAL 33 1HG2 VAL 33 -0.412 -2.047 0.353 240 HG23 VAL 33 2HG2 VAL 33 -1.585 -2.098 -0.964 241 H ALA 34 H ALA 34 -2.006 -4.404 -2.870 242 HA ALA 34 HA ALA 34 -0.075 -6.642 -2.916 243 HB1 ALA 34 3HB ALA 34 -1.915 -6.856 -4.553 244 HB2 ALA 34 1HB ALA 34 -0.370 -6.599 -5.372 245 HB3 ALA 34 2HB ALA 34 -1.525 -5.272 -5.225 246 H LEU 35 H LEU 35 1.812 -5.729 -2.313 247 HA LEU 35 HA LEU 35 2.721 -3.172 -3.443 248 HB2 LEU 35 2HB LEU 35 3.131 -3.636 -1.025 249 HB3 LEU 35 1HB LEU 35 4.077 -5.050 -1.463 250 HG LEU 35 HG LEU 35 5.737 -3.581 -2.598 251 HD11 LEU 35 1HD1 LEU 35 5.702 -1.146 -2.281 252 HD12 LEU 35 2HD1 LEU 35 4.111 -1.258 -1.526 253 HD13 LEU 35 3HD1 LEU 35 4.317 -1.701 -3.220 254 HD21 LEU 35 3HD2 LEU 35 6.146 -4.251 -0.268 255 HD22 LEU 35 1HD2 LEU 35 5.272 -2.831 0.313 256 HD23 LEU 35 2HD2 LEU 35 6.783 -2.640 -0.580 257 H ASN 36 H ASN 36 3.609 -3.244 -5.355 258 HA ASN 36 HA ASN 36 4.693 -3.785 -7.235 259 HB2 ASN 36 2HB ASN 36 6.496 -5.299 -5.298 260 HB3 ASN 36 1HB ASN 36 6.914 -4.923 -6.969 261 HD21 ASN 36 1HD2 ASN 36 8.231 -4.129 -4.474 262 HD22 ASN 36 2HD2 ASN 36 8.263 -2.398 -4.471 263 H TYR 37 H TYR 37 2.443 -5.340 -6.654 264 HA TYR 37 HA TYR 37 1.220 -6.968 -7.600 265 HB2 TYR 37 2HB TYR 37 3.731 -7.688 -9.180 266 HB3 TYR 37 1HB TYR 37 2.136 -8.367 -9.479 267 HD1 TYR 37 HD1 TYR 37 4.166 -5.258 -9.674 268 HD2 TYR 37 HD2 TYR 37 0.458 -7.105 -10.718 269 HE1 TYR 37 HE1 TYR 37 3.651 -3.390 -11.168 270 HE2 TYR 37 HE2 TYR 37 -0.047 -5.228 -12.216 271 HH TYR 37 HH TYR 37 2.331 -2.806 -12.993 272 H ASP 38 H ASP 38 2.751 -7.391 -5.102 273 HA ASP 38 HA ASP 38 2.031 -10.238 -4.884 274 HB2 ASP 38 2HB ASP 38 4.627 -9.011 -3.918 275 HB3 ASP 38 1HB ASP 38 3.907 -10.327 -2.994 276 H VAL 39 H VAL 39 0.624 -10.617 -3.279 277 HA VAL 39 HA VAL 39 -0.502 -8.420 -1.846 278 HB VAL 39 HB VAL 39 -1.113 -11.390 -1.494 279 HG11 VAL 39 1HG1 VAL 39 -3.274 -10.621 -0.556 280 HG12 VAL 39 2HG1 VAL 39 -2.754 -8.942 -0.707 281 HG13 VAL 39 3HG1 VAL 39 -1.916 -10.031 0.401 282 HG21 VAL 39 3HG2 VAL 39 -3.013 -11.010 -3.045 283 HG22 VAL 39 1HG2 VAL 39 -1.460 -10.722 -3.834 284 HG23 VAL 39 2HG2 VAL 39 -2.455 -9.359 -3.323 285 H VAL 40 H VAL 40 0.230 -7.618 -0.061 286 HA VAL 40 HA VAL 40 2.062 -9.016 1.729 287 HB VAL 40 HB VAL 40 1.022 -6.143 1.946 288 HG11 VAL 40 1HG1 VAL 40 3.463 -7.443 3.215 289 HG12 VAL 40 2HG1 VAL 40 1.967 -7.010 4.047 290 HG13 VAL 40 3HG1 VAL 40 2.997 -5.748 3.371 291 HG21 VAL 40 3HG2 VAL 40 3.576 -7.081 0.582 292 HG22 VAL 40 1HG2 VAL 40 3.111 -5.399 0.856 293 HG23 VAL 40 2HG2 VAL 40 2.154 -6.416 -0.222 294 HA PRO 41 HA PRO 41 -1.575 -10.008 4.367 295 HB2 PRO 41 2HB PRO 41 -0.152 -11.369 6.298 296 HB3 PRO 41 1HB PRO 41 -0.621 -12.097 4.750 297 HG2 PRO 41 2HG PRO 41 2.014 -10.928 5.550 298 HG3 PRO 41 1HG PRO 41 1.669 -12.428 4.657 299 HD2 PRO 41 2HD PRO 41 2.431 -10.147 3.402 300 HD3 PRO 41 1HD PRO 41 1.321 -11.315 2.649 301 H ARG 42 H ARG 42 -2.255 -9.324 6.462 302 HA ARG 42 HA ARG 42 -1.589 -6.687 7.040 303 HB2 ARG 42 2HB ARG 42 -3.190 -6.758 8.833 304 HB3 ARG 42 1HB ARG 42 -3.811 -7.594 7.417 305 HG2 ARG 42 2HG ARG 42 -3.269 -9.778 8.486 306 HG3 ARG 42 1HG ARG 42 -2.687 -8.910 9.912 307 HD2 ARG 42 2HD ARG 42 -5.500 -8.835 8.807 308 HD3 ARG 42 1HD ARG 42 -4.971 -9.706 10.251 309 HE ARG 42 HE ARG 42 -4.232 -7.138 10.753 310 HH11 ARG 42 2HH1 ARG 42 -7.301 -8.603 9.918 311 HH12 ARG 42 1HH1 ARG 42 -8.235 -7.392 10.734 312 HH21 ARG 42 2HH2 ARG 42 -5.442 -5.525 11.744 313 HH22 ARG 42 1HH2 ARG 42 -7.174 -5.638 11.775 314 H GLY 43 H GLY 43 -0.508 -9.635 8.562 315 HA2 GLY 43 2HA GLY 43 0.716 -8.604 10.887 316 HA3 GLY 43 1HA GLY 43 1.075 -10.132 10.112 317 H LYS 44 H LYS 44 1.652 -8.070 7.694 318 HA LYS 44 HA LYS 44 4.472 -7.561 8.417 319 HB2 LYS 44 2HB LYS 44 3.176 -7.866 5.688 320 HB3 LYS 44 1HB LYS 44 4.862 -7.424 5.944 321 HG2 LYS 44 2HG LYS 44 5.153 -9.638 7.152 322 HG3 LYS 44 1HG LYS 44 3.522 -10.060 6.608 323 HD2 LYS 44 2HD LYS 44 4.223 -9.805 4.259 324 HD3 LYS 44 1HD LYS 44 5.845 -9.332 4.783 325 HE2 LYS 44 2HE LYS 44 6.142 -11.561 5.827 326 HE3 LYS 44 1HE LYS 44 4.535 -12.029 5.256 327 HZ1 LYS 44 3HZ LYS 44 5.304 -11.650 2.989 328 HZ2 LYS 44 1HZ LYS 44 6.217 -12.831 3.777 329 HZ3 LYS 44 2HZ LYS 44 6.847 -11.279 3.570 330 H TRP 45 H TRP 45 1.465 -5.951 7.617 331 HA TRP 45 HA TRP 45 2.242 -3.864 5.964 332 HB2 TRP 45 2HB TRP 45 0.089 -3.861 8.108 333 HB3 TRP 45 1HB TRP 45 0.286 -2.565 6.935 334 HD1 TRP 45 HD1 TRP 45 0.918 -5.419 4.856 335 HE1 TRP 45 HE1 TRP 45 -1.209 -6.276 3.730 336 HE3 TRP 45 HE3 TRP 45 -2.583 -2.997 7.715 337 HZ2 TRP 45 HZ2 TRP 45 -3.977 -5.985 3.966 338 HZ3 TRP 45 HZ3 TRP 45 -4.968 -3.346 7.183 339 HH2 TRP 45 HH2 TRP 45 -5.642 -4.814 5.341 340 H ASP 46 H ASP 46 2.291 -3.806 9.547 341 HA ASP 46 HA ASP 46 3.200 -1.128 9.873 342 HB2 ASP 46 2HB ASP 46 3.584 -3.511 11.749 343 HB3 ASP 46 1HB ASP 46 3.881 -1.831 12.183 344 H GLU 47 H GLU 47 4.880 -4.222 9.771 345 HA GLU 47 HA GLU 47 7.527 -3.163 10.169 346 HB2 GLU 47 2HB GLU 47 6.514 -5.892 9.283 347 HB3 GLU 47 1HB GLU 47 8.194 -5.541 9.677 348 HG2 GLU 47 2HG GLU 47 7.632 -5.097 11.985 349 HG3 GLU 47 1HG GLU 47 5.910 -5.191 11.630 350 H THR 48 H THR 48 5.513 -3.260 7.441 351 HA THR 48 HA THR 48 7.716 -3.482 5.486 352 HB THR 48 HB THR 48 4.691 -3.518 5.007 353 HG1 THR 48 HG1 THR 48 5.928 -5.377 6.103 354 HG21 THR 48 3HG2 THR 48 6.966 -4.185 3.085 355 HG22 THR 48 1HG2 THR 48 5.972 -2.724 3.020 356 HG23 THR 48 2HG2 THR 48 5.240 -4.302 2.744 357 HA PRO 49 HA PRO 49 7.149 1.067 5.334 358 HB2 PRO 49 2HB PRO 49 9.518 1.690 4.154 359 HB3 PRO 49 1HB PRO 49 9.422 1.221 5.864 360 HG2 PRO 49 2HG PRO 49 10.197 -0.457 3.499 361 HG3 PRO 49 1HG PRO 49 10.973 -0.334 5.094 362 HD2 PRO 49 2HD PRO 49 9.245 -2.363 4.435 363 HD3 PRO 49 1HD PRO 49 9.451 -1.765 6.096 364 H VAL 50 H VAL 50 7.156 2.640 3.587 365 HA VAL 50 HA VAL 50 6.739 1.612 0.836 366 HB VAL 50 HB VAL 50 5.380 3.961 2.278 367 HG11 VAL 50 1HG1 VAL 50 5.188 3.292 -0.692 368 HG12 VAL 50 2HG1 VAL 50 5.933 4.729 0.010 369 HG13 VAL 50 3HG1 VAL 50 4.196 4.481 0.155 370 HG21 VAL 50 3HG2 VAL 50 4.341 1.772 2.716 371 HG22 VAL 50 1HG2 VAL 50 4.168 1.485 0.983 372 HG23 VAL 50 2HG2 VAL 50 3.265 2.790 1.759 373 H THR 51 H THR 51 8.158 2.415 -0.612 374 HA THR 51 HA THR 51 9.588 4.958 -0.070 375 HB THR 51 HB THR 51 11.442 4.036 -1.536 376 HG1 THR 51 HG1 THR 51 9.727 2.194 -2.151 377 HG21 THR 51 3HG2 THR 51 12.452 2.545 0.142 378 HG22 THR 51 1HG2 THR 51 10.893 2.342 0.935 379 HG23 THR 51 2HG2 THR 51 11.683 3.921 0.934 380 H ALA 52 H ALA 52 10.023 6.243 -1.970 381 HA ALA 52 HA ALA 52 7.880 6.671 -3.693 382 HB1 ALA 52 3HB ALA 52 9.553 8.381 -3.153 383 HB2 ALA 52 1HB ALA 52 9.359 8.214 -4.898 384 HB3 ALA 52 2HB ALA 52 10.768 7.516 -4.094 385 H GLY 53 H GLY 53 7.309 5.943 -5.661 386 HA2 GLY 53 2HA GLY 53 7.720 5.195 -7.864 387 HA3 GLY 53 1HA GLY 53 9.206 4.424 -7.338 388 H ASP 54 H ASP 54 7.357 3.375 -4.940 389 HA ASP 54 HA ASP 54 7.088 0.751 -5.913 390 HB2 ASP 54 2HB ASP 54 6.045 2.145 -3.438 391 HB3 ASP 54 1HB ASP 54 5.492 0.516 -3.795 392 H GLU 55 H GLU 55 5.603 -0.239 -7.101 393 HA GLU 55 HA GLU 55 3.095 1.027 -7.828 394 HB2 GLU 55 2HB GLU 55 4.204 -1.734 -8.511 395 HB3 GLU 55 1HB GLU 55 2.733 -1.034 -9.183 396 HG2 GLU 55 2HG GLU 55 4.102 0.812 -10.162 397 HG3 GLU 55 1HG GLU 55 5.554 0.008 -9.570 398 H ILE 56 H ILE 56 2.082 1.220 -5.873 399 HA ILE 56 HA ILE 56 1.453 -1.086 -4.184 400 HB ILE 56 HB ILE 56 0.676 1.870 -3.901 401 HG12 ILE 56 2HG1 ILE 56 2.988 0.386 -2.566 402 HG13 ILE 56 1HG1 ILE 56 3.160 1.524 -3.895 403 HG21 ILE 56 1HG2 ILE 56 0.192 1.358 -1.536 404 HG22 ILE 56 2HG2 ILE 56 0.591 -0.339 -1.797 405 HG23 ILE 56 3HG2 ILE 56 -0.811 0.374 -2.599 406 HD11 ILE 56 3HD1 ILE 56 2.252 3.297 -2.411 407 HD12 ILE 56 1HD1 ILE 56 3.772 2.587 -1.864 408 HD13 ILE 56 2HD1 ILE 56 2.260 2.124 -1.092 409 H GLU 57 H GLU 57 -0.699 -1.739 -3.822 410 HA GLU 57 HA GLU 57 -2.893 -0.594 -5.400 411 HB2 GLU 57 2HB GLU 57 -1.957 -2.321 -6.883 412 HB3 GLU 57 1HB GLU 57 -1.976 -3.503 -5.577 413 HG2 GLU 57 2HG GLU 57 -4.467 -3.386 -5.546 414 HG3 GLU 57 1HG GLU 57 -4.404 -2.257 -6.904 415 H ILE 58 H ILE 58 -4.795 -0.696 -4.245 416 HA ILE 58 HA ILE 58 -4.810 -2.259 -1.730 417 HB ILE 58 HB ILE 58 -6.753 -0.058 -2.570 418 HG12 ILE 58 2HG1 ILE 58 -4.473 0.885 -2.290 419 HG13 ILE 58 1HG1 ILE 58 -5.536 1.437 -1.006 420 HG21 ILE 58 1HG2 ILE 58 -7.441 -0.084 -0.189 421 HG22 ILE 58 2HG2 ILE 58 -6.319 -1.404 0.141 422 HG23 ILE 58 3HG2 ILE 58 -7.695 -1.661 -0.935 423 HD11 ILE 58 3HD1 ILE 58 -3.417 -0.709 -0.763 424 HD12 ILE 58 1HD1 ILE 58 -4.497 -0.184 0.534 425 HD13 ILE 58 2HD1 ILE 58 -3.325 0.941 -0.147 426 H LEU 59 H LEU 59 -5.608 -4.201 -2.060 427 HA LEU 59 HA LEU 59 -7.737 -4.861 -3.897 428 HB2 LEU 59 2HB LEU 59 -6.291 -6.427 -1.727 429 HB3 LEU 59 1HB LEU 59 -7.546 -7.128 -2.737 430 HG LEU 59 HG LEU 59 -5.017 -5.914 -3.918 431 HD11 LEU 59 1HD1 LEU 59 -4.340 -7.728 -2.404 432 HD12 LEU 59 2HD1 LEU 59 -4.070 -8.156 -4.089 433 HD13 LEU 59 3HD1 LEU 59 -5.449 -8.837 -3.219 434 HD21 LEU 59 3HD2 LEU 59 -6.896 -6.131 -5.486 435 HD22 LEU 59 1HD2 LEU 59 -7.076 -7.839 -5.075 436 HD23 LEU 59 2HD2 LEU 59 -5.620 -7.271 -5.902 437 H THR 60 H THR 60 -9.855 -4.989 -3.449 438 HA THR 60 HA THR 60 -10.837 -4.889 -0.655 439 HB THR 60 HB THR 60 -12.302 -4.127 -3.238 440 HG1 THR 60 HG1 THR 60 -10.525 -2.737 -2.080 441 HG21 THR 60 3HG2 THR 60 -14.065 -3.233 -1.732 442 HG22 THR 60 1HG2 THR 60 -13.189 -3.851 -0.333 443 HG23 THR 60 2HG2 THR 60 -13.865 -4.972 -1.519 444 HA PRO 61 HA PRO 61 -11.260 -9.244 -2.230 445 HB2 PRO 61 2HB PRO 61 -11.306 -9.913 0.699 446 HB3 PRO 61 1HB PRO 61 -10.237 -10.524 -0.579 447 HG2 PRO 61 2HG PRO 61 -9.322 -8.847 1.286 448 HG3 PRO 61 1HG PRO 61 -8.759 -8.741 -0.401 449 HD2 PRO 61 2HD PRO 61 -10.829 -7.053 1.004 450 HD3 PRO 61 1HD PRO 61 -9.502 -6.548 -0.068 451 H ARG 62 H ARG 62 -13.277 -9.666 -2.913 452 HA ARG 62 HA ARG 62 -15.540 -9.967 -1.117 453 HB2 ARG 62 2HB ARG 62 -15.328 -7.460 -1.699 454 HB3 ARG 62 1HB ARG 62 -15.726 -7.901 -3.355 455 HG2 ARG 62 2HG ARG 62 -17.716 -7.091 -2.226 456 HG3 ARG 62 1HG ARG 62 -17.900 -8.813 -2.571 457 HD2 ARG 62 2HD ARG 62 -18.713 -8.263 -0.306 458 HD3 ARG 62 1HD ARG 62 -17.326 -9.354 -0.239 459 HE ARG 62 HE ARG 62 -15.985 -7.612 0.587 460 HH11 ARG 62 2HH1 ARG 62 -19.285 -6.514 0.092 461 HH12 ARG 62 1HH1 ARG 62 -19.069 -5.092 1.054 462 HH21 ARG 62 2HH2 ARG 62 -15.717 -5.707 1.777 463 HH22 ARG 62 1HH2 ARG 62 -17.062 -4.633 2.005 464 H GLN 63 H GLN 63 -13.798 -11.021 -3.639 465 HA GLN 63 HA GLN 63 -15.993 -12.413 -5.013 466 HB2 GLN 63 2HB GLN 63 -13.785 -10.817 -6.396 467 HB3 GLN 63 1HB GLN 63 -14.835 -11.964 -7.224 468 HG2 GLN 63 2HG GLN 63 -16.799 -10.594 -6.699 469 HG3 GLN 63 1HG GLN 63 -15.789 -9.465 -5.796 470 HE21 GLN 63 1HE2 GLN 63 -14.384 -8.089 -6.937 471 HE22 GLN 63 2HE2 GLN 63 -14.588 -7.770 -8.624 472 H GLY 64 H GLY 64 -13.401 -12.727 -3.173 473 HA2 GLY 64 2HA GLY 64 -11.987 -14.859 -4.603 474 HA3 GLY 64 1HA GLY 64 -11.533 -14.135 -3.067 475 H GLY 65 H GLY 65 -11.734 -16.952 -3.736 476 HA2 GLY 65 2HA GLY 65 -14.030 -18.120 -2.518 477 HA3 GLY 65 1HA GLY 65 -12.495 -18.914 -2.845 478 H LEU 66 H LEU 66 -14.512 -18.209 -0.399 479 HA LEU 66 HA LEU 66 -12.841 -17.188 1.657 480 HB2 LEU 66 2HB LEU 66 -15.343 -18.901 1.912 481 HB3 LEU 66 1HB LEU 66 -14.620 -17.946 3.198 482 HG LEU 66 HG LEU 66 -15.959 -16.865 0.683 483 HD11 LEU 66 1HD1 LEU 66 -16.807 -16.675 3.593 484 HD12 LEU 66 2HD1 LEU 66 -17.554 -17.681 2.351 485 HD13 LEU 66 3HD1 LEU 66 -17.632 -15.929 2.218 486 HD21 LEU 66 3HD2 LEU 66 -14.054 -15.431 1.234 487 HD22 LEU 66 1HD2 LEU 66 -14.604 -15.297 2.908 488 HD23 LEU 66 2HD2 LEU 66 -15.565 -14.604 1.600 489 H GLU 67 H GLU 67 -14.023 -20.512 1.092 490 HA GLU 67 HA GLU 67 -11.897 -21.700 2.689 491 HB2 GLU 67 2HB GLU 67 -14.249 -22.596 2.650 492 HB3 GLU 67 1HB GLU 67 -14.029 -23.042 0.959 493 HG2 GLU 67 2HG GLU 67 -12.269 -24.617 1.564 494 HG3 GLU 67 1HG GLU 67 -12.353 -24.108 3.250 495 H HIS 68 H HIS 68 -12.842 -21.400 -0.708 496 HA HIS 68 HA HIS 68 -10.761 -22.891 -1.919 497 HB2 HIS 68 2HB HIS 68 -12.833 -22.328 -3.129 498 HB3 HIS 68 1HB HIS 68 -12.468 -20.615 -3.026 499 HD1 HIS 68 HD1 HIS 68 -11.888 -23.601 -5.104 500 HD2 HIS 68 HD2 HIS 68 -10.290 -19.782 -4.766 501 HE1 HIS 68 HE1 HIS 68 -10.617 -23.211 -7.239 502 HE2 HIS 68 HE2 HIS 68 -9.853 -20.816 -7.093 503 H HIS 69 H HIS 69 -8.811 -22.320 -0.939 504 HA HIS 69 HA HIS 69 -7.775 -19.585 -1.244 505 HB2 HIS 69 2HB HIS 69 -6.525 -22.031 0.088 506 HB3 HIS 69 1HB HIS 69 -5.844 -20.403 0.094 507 HD1 HIS 69 HD1 HIS 69 -7.331 -22.452 2.391 508 HD2 HIS 69 HD2 HIS 69 -8.298 -18.615 1.128 509 HE1 HIS 69 HE1 HIS 69 -8.726 -21.476 4.229 510 HE2 HIS 69 HE2 HIS 69 -9.459 -19.237 3.357 511 H HIS 70 H HIS 70 -5.606 -19.295 -2.158 512 HA HIS 70 HA HIS 70 -5.460 -20.394 -4.797 513 HB2 HIS 70 2HB HIS 70 -3.362 -18.713 -3.353 514 HB3 HIS 70 1HB HIS 70 -3.520 -18.934 -5.093 515 HD1 HIS 70 HD1 HIS 70 -3.884 -16.313 -2.987 516 HD2 HIS 70 HD2 HIS 70 -6.629 -18.106 -5.535 517 HE1 HIS 70 HE1 HIS 70 -5.620 -14.563 -3.444 518 HE2 HIS 70 HE2 HIS 70 -7.122 -15.600 -5.171 519 H HIS 71 H HIS 71 -4.376 -22.180 -5.478 520 HA HIS 71 HA HIS 71 -3.238 -23.986 -3.597 521 HB2 HIS 71 2HB HIS 71 -3.297 -24.073 -6.639 522 HB3 HIS 71 1HB HIS 71 -2.706 -25.398 -5.638 523 HD1 HIS 71 HD1 HIS 71 -5.635 -24.500 -7.393 524 HD2 HIS 71 HD2 HIS 71 -4.917 -26.107 -3.635 525 HE1 HIS 71 HE1 HIS 71 -7.793 -25.574 -6.707 526 HE2 HIS 71 HE2 HIS 71 -7.391 -26.339 -4.348 527 H HIS 72 H HIS 72 -1.821 -21.463 -5.479 528 HA HIS 72 HA HIS 72 0.943 -22.395 -5.016 529 HB2 HIS 72 2HB HIS 72 -0.139 -20.042 -6.641 530 HB3 HIS 72 1HB HIS 72 1.577 -20.384 -6.416 531 HD1 HIS 72 HD1 HIS 72 2.619 -22.001 -8.011 532 HD2 HIS 72 HD2 HIS 72 -1.531 -22.162 -8.135 533 HE1 HIS 72 HE1 HIS 72 2.066 -23.511 -9.934 534 HE2 HIS 72 HE2 HIS 72 -0.446 -23.659 -9.950 535 H HIS 73 H HIS 73 -0.713 -19.192 -4.737 536 HA HIS 73 HA HIS 73 -0.334 -18.926 -1.937 537 HB2 HIS 73 2HB HIS 73 2.032 -18.624 -2.424 538 HB3 HIS 73 1HB HIS 73 1.681 -17.450 -3.686 539 HD1 HIS 73 HD1 HIS 73 0.532 -17.616 -0.056 540 HD2 HIS 73 HD2 HIS 73 2.487 -15.045 -2.670 541 HE1 HIS 73 HE1 HIS 73 0.859 -15.490 1.217 542 HE2 HIS 73 HE2 HIS 73 2.212 -14.028 -0.311 Start of MODEL 17 1 H1 MET 1 1H MET 1 6.460 9.803 0.040 2 H2 MET 1 2H MET 1 6.796 11.337 -0.584 3 H3 MET 1 3H MET 1 8.006 10.443 0.178 4 HA MET 1 HA MET 1 8.325 10.403 -2.167 5 HB2 MET 1 2HB MET 1 8.522 7.980 -2.437 6 HB3 MET 1 1HB MET 1 8.972 8.440 -0.805 7 HG2 MET 1 2HG MET 1 6.268 7.291 -1.534 8 HG3 MET 1 1HG MET 1 7.631 6.326 -0.971 9 HE1 MET 1 3HE MET 1 8.468 6.209 1.464 10 HE2 MET 1 1HE MET 1 8.064 7.395 2.711 11 HE3 MET 1 2HE MET 1 9.000 7.882 1.296 12 H LEU 2 H LEU 2 7.488 10.207 -4.272 13 HA LEU 2 HA LEU 2 4.607 10.099 -4.605 14 HB2 LEU 2 2HB LEU 2 6.113 11.674 -5.887 15 HB3 LEU 2 1HB LEU 2 6.771 10.296 -6.739 16 HG LEU 2 HG LEU 2 3.798 10.960 -6.867 17 HD11 LEU 2 1HD1 LEU 2 4.984 12.959 -7.606 18 HD12 LEU 2 2HD1 LEU 2 4.212 12.159 -8.972 19 HD13 LEU 2 3HD1 LEU 2 5.955 12.000 -8.728 20 HD21 LEU 2 3HD2 LEU 2 5.610 9.349 -8.700 21 HD22 LEU 2 1HD2 LEU 2 3.935 9.775 -9.068 22 HD23 LEU 2 2HD2 LEU 2 4.296 8.739 -7.691 23 H VAL 3 H VAL 3 3.666 8.207 -4.617 24 HA VAL 3 HA VAL 3 4.965 5.732 -5.594 25 HB VAL 3 HB VAL 3 3.406 4.520 -4.133 26 HG11 VAL 3 1HG1 VAL 3 4.221 5.297 -1.927 27 HG12 VAL 3 2HG1 VAL 3 4.774 6.798 -2.669 28 HG13 VAL 3 3HG1 VAL 3 5.506 5.260 -3.133 29 HG21 VAL 3 3HG2 VAL 3 1.421 5.985 -4.266 30 HG22 VAL 3 1HG2 VAL 3 2.256 7.220 -3.315 31 HG23 VAL 3 2HG2 VAL 3 1.846 5.666 -2.582 32 H THR 4 H THR 4 3.086 4.071 -6.251 33 HA THR 4 HA THR 4 1.089 5.426 -7.984 34 HB THR 4 HB THR 4 2.778 2.986 -8.721 35 HG1 THR 4 HG1 THR 4 3.731 5.225 -8.786 36 HG21 THR 4 3HG2 THR 4 1.749 3.215 -10.965 37 HG22 THR 4 1HG2 THR 4 0.714 4.496 -10.361 38 HG23 THR 4 2HG2 THR 4 0.529 2.850 -9.733 39 H ILE 5 H ILE 5 -0.738 5.023 -6.869 40 HA ILE 5 HA ILE 5 -1.284 2.332 -5.758 41 HB ILE 5 HB ILE 5 -2.652 5.001 -5.139 42 HG12 ILE 5 2HG1 ILE 5 -0.653 3.358 -3.508 43 HG13 ILE 5 1HG1 ILE 5 -0.314 4.892 -4.293 44 HG21 ILE 5 1HG2 ILE 5 -4.195 3.079 -4.901 45 HG22 ILE 5 2HG2 ILE 5 -3.802 3.762 -3.323 46 HG23 ILE 5 3HG2 ILE 5 -3.031 2.265 -3.850 47 HD11 ILE 5 3HD1 ILE 5 -1.881 6.003 -2.789 48 HD12 ILE 5 1HD1 ILE 5 -0.596 5.167 -1.920 49 HD13 ILE 5 2HD1 ILE 5 -2.210 4.460 -1.993 50 H ASN 6 H ASN 6 -2.580 1.076 -6.941 51 HA ASN 6 HA ASN 6 -4.066 0.237 -8.411 52 HB2 ASN 6 2HB ASN 6 -5.559 2.814 -7.778 53 HB3 ASN 6 1HB ASN 6 -6.245 1.516 -8.750 54 HD21 ASN 6 1HD2 ASN 6 -7.915 1.090 -7.314 55 HD22 ASN 6 2HD2 ASN 6 -7.661 0.361 -5.766 56 H GLY 7 H GLY 7 -1.820 1.738 -9.449 57 HA2 GLY 7 2HA GLY 7 -1.024 1.993 -11.614 58 HA3 GLY 7 1HA GLY 7 -2.665 1.938 -12.233 59 H GLU 8 H GLU 8 -2.682 4.157 -9.775 60 HA GLU 8 HA GLU 8 -2.254 6.471 -11.584 61 HB2 GLU 8 2HB GLU 8 -4.131 6.257 -9.174 62 HB3 GLU 8 1HB GLU 8 -3.997 7.621 -10.282 63 HG2 GLU 8 2HG GLU 8 -4.852 6.227 -12.121 64 HG3 GLU 8 1HG GLU 8 -4.959 4.847 -11.027 65 H GLN 9 H GLN 9 -0.831 8.013 -10.871 66 HA GLN 9 HA GLN 9 0.920 7.329 -8.673 67 HB2 GLN 9 2HB GLN 9 1.002 9.602 -10.706 68 HB3 GLN 9 1HB GLN 9 2.203 9.389 -9.437 69 HG2 GLN 9 2HG GLN 9 3.169 8.458 -11.390 70 HG3 GLN 9 1HG GLN 9 2.680 7.091 -10.398 71 HE21 GLN 9 1HE2 GLN 9 2.007 8.913 -13.288 72 HE22 GLN 9 2HE2 GLN 9 1.009 7.733 -14.059 73 H ARG 10 H ARG 10 0.678 8.035 -6.646 74 HA ARG 10 HA ARG 10 -0.447 10.731 -6.065 75 HB2 ARG 10 2HB ARG 10 -0.945 8.189 -4.405 76 HB3 ARG 10 1HB ARG 10 -1.293 9.823 -3.854 77 HG2 ARG 10 2HG ARG 10 -3.381 9.066 -4.537 78 HG3 ARG 10 1HG ARG 10 -2.824 10.003 -5.923 79 HD2 ARG 10 2HD ARG 10 -2.026 7.829 -6.941 80 HD3 ARG 10 1HD ARG 10 -2.860 6.982 -5.635 81 HE ARG 10 HE ARG 10 -4.083 8.553 -7.804 82 HH11 ARG 10 1HH1 ARG 10 -4.584 6.356 -5.098 83 HH12 ARG 10 2HH1 ARG 10 -6.229 6.030 -5.535 84 HH21 ARG 10 1HH2 ARG 10 -6.203 8.122 -8.337 85 HH22 ARG 10 2HH2 ARG 10 -7.138 7.036 -7.366 86 H GLU 11 H GLU 11 0.690 11.839 -4.447 87 HA GLU 11 HA GLU 11 3.251 10.686 -3.574 88 HB2 GLU 11 2HB GLU 11 3.269 12.995 -4.489 89 HB3 GLU 11 1HB GLU 11 2.147 13.504 -3.230 90 HG2 GLU 11 2HG GLU 11 3.871 12.893 -1.503 91 HG3 GLU 11 1HG GLU 11 4.994 12.515 -2.808 92 H VAL 12 H VAL 12 3.244 9.580 -1.721 93 HA VAL 12 HA VAL 12 1.544 10.460 0.558 94 HB VAL 12 HB VAL 12 1.588 8.188 1.418 95 HG11 VAL 12 1HG1 VAL 12 0.877 8.144 -1.542 96 HG12 VAL 12 2HG1 VAL 12 -0.177 8.659 -0.222 97 HG13 VAL 12 3HG1 VAL 12 0.330 6.974 -0.337 98 HG21 VAL 12 3HG2 VAL 12 3.368 7.423 -0.934 99 HG22 VAL 12 1HG2 VAL 12 2.667 6.290 0.228 100 HG23 VAL 12 2HG2 VAL 12 3.852 7.484 0.761 101 H GLN 13 H GLN 13 2.595 9.789 2.700 102 HA GLN 13 HA GLN 13 5.516 9.806 2.809 103 HB2 GLN 13 2HB GLN 13 5.564 11.726 4.402 104 HB3 GLN 13 1HB GLN 13 5.012 12.211 2.804 105 HG2 GLN 13 2HG GLN 13 2.694 12.278 3.581 106 HG3 GLN 13 1HG GLN 13 3.177 11.671 5.163 107 HE21 GLN 13 1HE2 GLN 13 4.303 13.051 6.576 108 HE22 GLN 13 2HE2 GLN 13 4.295 14.770 6.378 109 H SER 14 H SER 14 3.075 8.129 3.479 110 HA SER 14 HA SER 14 2.645 8.003 6.256 111 HB2 SER 14 2HB SER 14 2.222 5.835 4.154 112 HB3 SER 14 1HB SER 14 1.481 5.893 5.757 113 HG SER 14 HG SER 14 0.459 7.834 5.138 114 H ALA 15 H ALA 15 5.014 6.456 4.194 115 HA ALA 15 HA ALA 15 6.991 5.440 4.556 116 HB1 ALA 15 3HB ALA 15 6.551 5.716 7.554 117 HB2 ALA 15 1HB ALA 15 7.363 6.896 6.516 118 HB3 ALA 15 2HB ALA 15 8.055 5.291 6.734 119 H SER 16 H SER 16 4.488 4.228 6.803 120 HA SER 16 HA SER 16 5.249 1.430 6.241 121 HB2 SER 16 2HB SER 16 5.068 2.056 8.628 122 HB3 SER 16 1HB SER 16 3.427 2.659 8.374 123 HG SER 16 HG SER 16 4.236 -0.036 7.903 124 H VAL 17 H VAL 17 3.759 -0.007 5.377 125 HA VAL 17 HA VAL 17 1.666 0.958 3.703 126 HB VAL 17 HB VAL 17 2.342 -1.903 4.543 127 HG11 VAL 17 1HG1 VAL 17 0.021 -1.827 3.750 128 HG12 VAL 17 2HG1 VAL 17 1.040 -2.628 2.553 129 HG13 VAL 17 3HG1 VAL 17 0.521 -0.961 2.294 130 HG21 VAL 17 3HG2 VAL 17 3.451 -2.062 2.331 131 HG22 VAL 17 1HG2 VAL 17 4.180 -0.798 3.326 132 HG23 VAL 17 2HG2 VAL 17 3.075 -0.366 2.019 133 H ALA 18 H ALA 18 1.721 -0.407 6.982 134 HA ALA 18 HA ALA 18 -1.059 -0.696 7.419 135 HB1 ALA 18 3HB ALA 18 1.127 -0.005 9.409 136 HB2 ALA 18 1HB ALA 18 0.568 -1.619 8.983 137 HB3 ALA 18 2HB ALA 18 -0.512 -0.512 9.831 138 H ALA 19 H ALA 19 1.133 1.983 8.300 139 HA ALA 19 HA ALA 19 -0.729 3.878 9.116 140 HB1 ALA 19 3HB ALA 19 1.047 5.537 8.700 141 HB2 ALA 19 1HB ALA 19 1.945 4.346 7.742 142 HB3 ALA 19 2HB ALA 19 1.697 4.089 9.469 143 H LEU 20 H LEU 20 0.336 3.010 5.884 144 HA LEU 20 HA LEU 20 -0.741 5.164 4.414 145 HB2 LEU 20 2HB LEU 20 0.974 3.634 3.534 146 HB3 LEU 20 1HB LEU 20 -0.164 2.299 3.585 147 HG LEU 20 HG LEU 20 -1.546 3.414 1.825 148 HD11 LEU 20 1HD1 LEU 20 -1.004 5.753 2.287 149 HD12 LEU 20 2HD1 LEU 20 -0.669 5.352 0.602 150 HD13 LEU 20 3HD1 LEU 20 0.661 5.492 1.754 151 HD21 LEU 20 3HD2 LEU 20 -0.025 3.031 -0.053 152 HD22 LEU 20 1HD2 LEU 20 0.153 1.770 1.168 153 HD23 LEU 20 2HD2 LEU 20 1.360 3.054 1.039 154 H MET 21 H MET 21 -2.013 1.817 4.800 155 HA MET 21 HA MET 21 -4.455 2.403 3.433 156 HB2 MET 21 2HB MET 21 -3.702 -0.010 5.137 157 HB3 MET 21 1HB MET 21 -5.130 0.101 4.113 158 HG2 MET 21 2HG MET 21 -3.597 0.420 2.139 159 HG3 MET 21 1HG MET 21 -2.244 0.077 3.220 160 HE1 MET 21 3HE MET 21 -5.895 -1.590 3.079 161 HE2 MET 21 1HE MET 21 -5.516 -3.009 2.105 162 HE3 MET 21 2HE MET 21 -5.418 -1.402 1.387 163 H THR 22 H THR 22 -3.497 2.625 6.794 164 HA THR 22 HA THR 22 -6.086 2.865 7.965 165 HB THR 22 HB THR 22 -3.444 4.082 8.917 166 HG1 THR 22 HG1 THR 22 -3.782 1.642 8.663 167 HG21 THR 22 3HG2 THR 22 -4.491 4.069 11.174 168 HG22 THR 22 1HG2 THR 22 -6.004 3.523 10.465 169 HG23 THR 22 2HG2 THR 22 -5.376 5.128 10.066 170 H GLU 23 H GLU 23 -3.784 5.185 6.575 171 HA GLU 23 HA GLU 23 -5.270 7.548 7.236 172 HB2 GLU 23 2HB GLU 23 -2.768 7.453 6.947 173 HB3 GLU 23 1HB GLU 23 -3.002 7.268 5.215 174 HG2 GLU 23 2HG GLU 23 -3.979 9.441 5.021 175 HG3 GLU 23 1HG GLU 23 -4.117 9.615 6.770 176 H LEU 24 H LEU 24 -5.054 5.444 4.440 177 HA LEU 24 HA LEU 24 -6.710 7.062 2.695 178 HB2 LEU 24 2HB LEU 24 -5.803 4.158 2.487 179 HB3 LEU 24 1HB LEU 24 -6.656 5.032 1.224 180 HG LEU 24 HG LEU 24 -3.884 5.752 2.264 181 HD11 LEU 24 1HD1 LEU 24 -4.680 4.416 -0.343 182 HD12 LEU 24 2HD1 LEU 24 -3.844 3.654 1.013 183 HD13 LEU 24 3HD1 LEU 24 -3.051 4.937 0.106 184 HD21 LEU 24 3HD2 LEU 24 -3.792 7.313 0.364 185 HD22 LEU 24 1HD2 LEU 24 -5.090 7.732 1.479 186 HD23 LEU 24 2HD2 LEU 24 -5.465 6.928 -0.048 187 H ASP 25 H ASP 25 -7.288 5.075 5.352 188 HA ASP 25 HA ASP 25 -9.079 4.186 6.384 189 HB2 ASP 25 2HB ASP 25 -10.624 5.971 4.460 190 HB3 ASP 25 1HB ASP 25 -11.354 5.144 5.830 191 H CYS 26 H CYS 26 -7.909 2.759 4.257 192 HA CYS 26 HA CYS 26 -10.086 1.159 3.045 193 HB2 CYS 26 2HB CYS 26 -7.110 1.305 2.336 194 HB3 CYS 26 1HB CYS 26 -8.342 0.415 1.441 195 HG CYS 26 HG CYS 26 -9.121 3.620 1.744 196 H THR 27 H THR 27 -9.467 0.844 5.844 197 HA THR 27 HA THR 27 -8.255 -1.871 5.891 198 HB THR 27 HB THR 27 -6.599 -0.174 6.667 199 HG1 THR 27 HG1 THR 27 -5.916 -1.587 8.065 200 HG21 THR 27 3HG2 THR 27 -8.101 1.513 7.647 201 HG22 THR 27 1HG2 THR 27 -6.908 0.980 8.835 202 HG23 THR 27 2HG2 THR 27 -8.568 0.383 8.921 203 H ASP 28 H ASP 28 -11.055 -0.855 5.889 204 HA ASP 28 HA ASP 28 -12.335 -0.907 8.380 205 HB2 ASP 28 2HB ASP 28 -13.542 -1.841 5.726 206 HB3 ASP 28 1HB ASP 28 -14.439 -1.316 7.141 207 H GLY 29 H GLY 29 -12.334 -3.549 5.973 208 HA2 GLY 29 2HA GLY 29 -12.306 -5.597 8.097 209 HA3 GLY 29 1HA GLY 29 -13.606 -5.602 6.909 210 H HIS 30 H HIS 30 -13.258 -6.561 4.966 211 HA HIS 30 HA HIS 30 -10.764 -8.027 4.602 212 HB2 HIS 30 2HB HIS 30 -13.463 -8.185 3.191 213 HB3 HIS 30 1HB HIS 30 -12.056 -9.113 2.671 214 HD1 HIS 30 HD1 HIS 30 -12.284 -11.460 3.484 215 HD2 HIS 30 HD2 HIS 30 -13.713 -8.745 6.298 216 HE1 HIS 30 HE1 HIS 30 -12.961 -12.828 5.478 217 HE2 HIS 30 HE2 HIS 30 -13.642 -11.155 7.215 218 H TYR 31 H TYR 31 -9.454 -6.209 4.186 219 HA TYR 31 HA TYR 31 -9.413 -5.355 1.358 220 HB2 TYR 31 2HB TYR 31 -8.913 -3.532 3.768 221 HB3 TYR 31 1HB TYR 31 -8.593 -3.093 2.097 222 HD1 TYR 31 HD1 TYR 31 -11.326 -3.908 4.500 223 HD2 TYR 31 HD2 TYR 31 -10.356 -2.198 0.706 224 HE1 TYR 31 HE1 TYR 31 -13.603 -3.024 4.317 225 HE2 TYR 31 HE2 TYR 31 -12.651 -1.316 0.535 226 HH TYR 31 HH TYR 31 -14.793 -1.249 3.172 227 H ALA 32 H ALA 32 -7.489 -5.901 0.516 228 HA ALA 32 HA ALA 32 -5.119 -6.260 2.274 229 HB1 ALA 32 3HB ALA 32 -5.851 -7.778 -0.269 230 HB2 ALA 32 1HB ALA 32 -5.952 -8.407 1.379 231 HB3 ALA 32 2HB ALA 32 -4.382 -8.005 0.687 232 H VAL 33 H VAL 33 -3.092 -6.260 0.675 233 HA VAL 33 HA VAL 33 -3.297 -4.134 -1.365 234 HB VAL 33 HB VAL 33 -2.651 -3.008 0.742 235 HG11 VAL 33 1HG1 VAL 33 -0.546 -3.502 1.906 236 HG12 VAL 33 2HG1 VAL 33 -0.248 -4.862 0.828 237 HG13 VAL 33 3HG1 VAL 33 -1.628 -4.890 1.930 238 HG21 VAL 33 3HG2 VAL 33 -0.321 -3.128 -1.212 239 HG22 VAL 33 1HG2 VAL 33 -0.583 -1.867 0.000 240 HG23 VAL 33 2HG2 VAL 33 -1.727 -2.067 -1.328 241 H ALA 34 H ALA 34 -1.806 -4.366 -3.034 242 HA ALA 34 HA ALA 34 0.154 -6.574 -2.867 243 HB1 ALA 34 3HB ALA 34 -1.598 -7.077 -4.526 244 HB2 ALA 34 1HB ALA 34 -0.054 -6.778 -5.328 245 HB3 ALA 34 2HB ALA 34 -1.309 -5.534 -5.334 246 H LEU 35 H LEU 35 1.878 -5.438 -2.204 247 HA LEU 35 HA LEU 35 2.633 -2.868 -3.422 248 HB2 LEU 35 2HB LEU 35 2.853 -3.061 -0.978 249 HB3 LEU 35 1HB LEU 35 3.875 -4.481 -1.146 250 HG LEU 35 HG LEU 35 5.626 -3.042 -2.262 251 HD11 LEU 35 1HD1 LEU 35 4.188 -1.280 -3.144 252 HD12 LEU 35 2HD1 LEU 35 5.457 -0.597 -2.129 253 HD13 LEU 35 3HD1 LEU 35 3.810 -0.741 -1.507 254 HD21 LEU 35 3HD2 LEU 35 5.793 -3.525 0.125 255 HD22 LEU 35 1HD2 LEU 35 4.798 -2.114 0.496 256 HD23 LEU 35 2HD2 LEU 35 6.392 -1.905 -0.232 257 H ASN 36 H ASN 36 3.933 -2.862 -5.175 258 HA ASN 36 HA ASN 36 5.200 -3.560 -6.939 259 HB2 ASN 36 2HB ASN 36 6.724 -4.975 -4.700 260 HB3 ASN 36 1HB ASN 36 7.333 -4.807 -6.344 261 HD21 ASN 36 1HD2 ASN 36 8.353 -3.760 -3.731 262 HD22 ASN 36 2HD2 ASN 36 8.538 -2.059 -3.984 263 H TYR 37 H TYR 37 2.849 -5.054 -6.408 264 HA TYR 37 HA TYR 37 1.655 -6.836 -7.093 265 HB2 TYR 37 2HB TYR 37 4.177 -7.607 -8.626 266 HB3 TYR 37 1HB TYR 37 2.641 -8.449 -8.784 267 HD1 TYR 37 HD2 TYR 37 2.089 -4.901 -8.430 268 HD2 TYR 37 HD1 TYR 37 3.200 -7.898 -11.277 269 HE1 TYR 37 HE2 TYR 37 1.504 -3.381 -10.261 270 HE2 TYR 37 HE1 TYR 37 2.613 -6.366 -13.107 271 HH TYR 37 HH TYR 37 2.138 -3.081 -12.681 272 H ASP 38 H ASP 38 3.658 -6.959 -4.736 273 HA ASP 38 HA ASP 38 3.350 -9.846 -4.130 274 HB2 ASP 38 2HB ASP 38 5.676 -9.100 -3.882 275 HB3 ASP 38 1HB ASP 38 5.182 -7.728 -2.895 276 H VAL 39 H VAL 39 1.596 -10.251 -2.909 277 HA VAL 39 HA VAL 39 0.041 -8.127 -1.758 278 HB VAL 39 HB VAL 39 -0.451 -11.140 -1.615 279 HG11 VAL 39 1HG1 VAL 39 -2.806 -10.492 -1.188 280 HG12 VAL 39 2HG1 VAL 39 -2.342 -8.789 -1.201 281 HG13 VAL 39 3HG1 VAL 39 -1.734 -9.861 0.063 282 HG21 VAL 39 3HG2 VAL 39 -1.970 -10.793 -3.547 283 HG22 VAL 39 1HG2 VAL 39 -0.296 -10.399 -3.955 284 HG23 VAL 39 2HG2 VAL 39 -1.455 -9.106 -3.639 285 H VAL 40 H VAL 40 0.183 -7.436 0.277 286 HA VAL 40 HA VAL 40 1.963 -8.846 2.172 287 HB VAL 40 HB VAL 40 1.061 -5.927 2.249 288 HG11 VAL 40 1HG1 VAL 40 2.991 -5.593 3.755 289 HG12 VAL 40 2HG1 VAL 40 3.362 -7.316 3.672 290 HG13 VAL 40 3HG1 VAL 40 1.858 -6.775 4.422 291 HG21 VAL 40 3HG2 VAL 40 3.634 -7.036 1.079 292 HG22 VAL 40 1HG2 VAL 40 3.252 -5.326 1.289 293 HG23 VAL 40 2HG2 VAL 40 2.306 -6.310 0.166 294 HA PRO 41 HA PRO 41 -1.832 -9.411 4.717 295 HB2 PRO 41 2HB PRO 41 -0.732 -10.839 6.758 296 HB3 PRO 41 1HB PRO 41 -0.965 -11.561 5.152 297 HG2 PRO 41 2HG PRO 41 1.541 -10.423 6.353 298 HG3 PRO 41 1HG PRO 41 1.326 -11.926 5.429 299 HD2 PRO 41 2HD PRO 41 2.271 -9.593 4.308 300 HD3 PRO 41 1HD PRO 41 1.397 -10.835 3.380 301 H ARG 42 H ARG 42 -2.610 -8.670 6.791 302 HA ARG 42 HA ARG 42 -1.897 -6.107 7.536 303 HB2 ARG 42 2HB ARG 42 -3.404 -8.188 9.173 304 HB3 ARG 42 1HB ARG 42 -3.261 -6.494 9.641 305 HG2 ARG 42 2HG ARG 42 -4.396 -5.845 7.521 306 HG3 ARG 42 1HG ARG 42 -4.624 -7.556 7.147 307 HD2 ARG 42 2HD ARG 42 -6.047 -7.863 9.056 308 HD3 ARG 42 1HD ARG 42 -5.640 -6.273 9.701 309 HE ARG 42 HE ARG 42 -7.455 -6.884 7.490 310 HH11 ARG 42 2HH1 ARG 42 -6.024 -4.425 9.549 311 HH12 ARG 42 1HH1 ARG 42 -7.170 -3.206 9.093 312 HH21 ARG 42 1HH2 ARG 42 -8.910 -5.257 6.864 313 HH22 ARG 42 2HH2 ARG 42 -8.798 -3.682 7.578 314 H GLY 43 H GLY 43 -0.916 -9.155 9.072 315 HA2 GLY 43 2HA GLY 43 0.430 -8.205 11.332 316 HA3 GLY 43 1HA GLY 43 0.763 -9.715 10.511 317 H LYS 44 H LYS 44 1.449 -8.071 8.010 318 HA LYS 44 HA LYS 44 4.246 -7.502 8.760 319 HB2 LYS 44 2HB LYS 44 2.965 -8.364 6.143 320 HB3 LYS 44 1HB LYS 44 4.599 -7.697 6.202 321 HG2 LYS 44 2HG LYS 44 5.235 -9.480 7.812 322 HG3 LYS 44 1HG LYS 44 3.629 -10.194 7.618 323 HD2 LYS 44 2HD LYS 44 4.049 -10.661 5.282 324 HD3 LYS 44 1HD LYS 44 5.556 -9.735 5.314 325 HE2 LYS 44 2HE LYS 44 5.927 -12.199 5.379 326 HE3 LYS 44 1HE LYS 44 6.584 -11.363 6.787 327 HZ1 LYS 44 3HZ LYS 44 5.390 -13.432 7.312 328 HZ2 LYS 44 1HZ LYS 44 3.962 -12.749 6.752 329 HZ3 LYS 44 2HZ LYS 44 4.748 -12.080 8.094 330 H TRP 45 H TRP 45 1.332 -5.949 7.614 331 HA TRP 45 HA TRP 45 2.149 -3.967 5.872 332 HB2 TRP 45 2HB TRP 45 0.025 -3.842 8.035 333 HB3 TRP 45 1HB TRP 45 0.301 -2.491 6.956 334 HD1 TRP 45 HD1 TRP 45 0.639 -5.294 4.729 335 HE1 TRP 45 HE1 TRP 45 -1.585 -5.870 3.572 336 HE3 TRP 45 HE3 TRP 45 -2.519 -2.626 7.689 337 HZ2 TRP 45 HZ2 TRP 45 -4.337 -5.241 3.850 338 HZ3 TRP 45 HZ3 TRP 45 -4.932 -2.637 7.192 339 HH2 TRP 45 HH2 TRP 45 -5.825 -3.919 5.308 340 H ASP 46 H ASP 46 2.327 -3.796 9.414 341 HA ASP 46 HA ASP 46 3.297 -1.177 9.752 342 HB2 ASP 46 2HB ASP 46 3.800 -3.633 11.475 343 HB3 ASP 46 1HB ASP 46 4.116 -1.976 11.983 344 H GLU 47 H GLU 47 5.065 -4.241 9.466 345 HA GLU 47 HA GLU 47 7.680 -3.043 9.675 346 HB2 GLU 47 2HB GLU 47 6.876 -5.875 8.874 347 HB3 GLU 47 1HB GLU 47 8.495 -5.351 9.324 348 HG2 GLU 47 2HG GLU 47 6.069 -5.362 11.138 349 HG3 GLU 47 1HG GLU 47 7.362 -6.556 11.149 350 H THR 48 H THR 48 5.477 -3.375 7.115 351 HA THR 48 HA THR 48 7.486 -3.768 5.013 352 HB THR 48 HB THR 48 4.443 -3.595 4.772 353 HG1 THR 48 HG1 THR 48 5.607 -5.443 5.914 354 HG21 THR 48 3HG2 THR 48 6.522 -4.552 2.759 355 HG22 THR 48 1HG2 THR 48 5.640 -3.020 2.658 356 HG23 THR 48 2HG2 THR 48 4.772 -4.549 2.524 357 HA PRO 49 HA PRO 49 7.420 0.773 4.736 358 HB2 PRO 49 2HB PRO 49 9.686 1.121 3.310 359 HB3 PRO 49 1HB PRO 49 9.751 0.503 4.974 360 HG2 PRO 49 2HG PRO 49 9.963 -1.021 2.396 361 HG3 PRO 49 1HG PRO 49 10.913 -1.201 3.888 362 HD2 PRO 49 2HD PRO 49 8.734 -2.803 3.209 363 HD3 PRO 49 1HD PRO 49 9.339 -2.577 4.867 364 H VAL 50 H VAL 50 7.059 2.391 3.142 365 HA VAL 50 HA VAL 50 6.040 1.490 0.518 366 HB VAL 50 HB VAL 50 5.603 4.169 1.937 367 HG11 VAL 50 1HG1 VAL 50 4.192 2.939 -0.453 368 HG12 VAL 50 2HG1 VAL 50 5.318 4.299 -0.502 369 HG13 VAL 50 3HG1 VAL 50 3.762 4.468 0.318 370 HG21 VAL 50 3HG2 VAL 50 4.576 2.364 3.259 371 HG22 VAL 50 1HG2 VAL 50 3.730 1.777 1.821 372 HG23 VAL 50 2HG2 VAL 50 3.336 3.361 2.493 373 H THR 51 H THR 51 6.958 2.384 -1.391 374 HA THR 51 HA THR 51 9.578 3.752 -1.028 375 HB THR 51 HB THR 51 8.863 1.462 -2.919 376 HG1 THR 51 HG1 THR 51 9.736 1.535 -0.363 377 HG21 THR 51 3HG2 THR 51 10.567 2.947 -3.936 378 HG22 THR 51 1HG2 THR 51 11.266 1.391 -3.478 379 HG23 THR 51 2HG2 THR 51 11.551 2.816 -2.477 380 H ALA 52 H ALA 52 10.185 5.242 -2.645 381 HA ALA 52 HA ALA 52 8.229 6.606 -4.137 382 HB1 ALA 52 3HB ALA 52 11.254 6.633 -4.476 383 HB2 ALA 52 1HB ALA 52 10.333 7.621 -3.338 384 HB3 ALA 52 2HB ALA 52 10.131 7.859 -5.076 385 H GLY 53 H GLY 53 7.172 5.805 -5.863 386 HA2 GLY 53 2HA GLY 53 6.858 5.187 -8.071 387 HA3 GLY 53 1HA GLY 53 8.589 4.928 -8.234 388 H ASP 54 H ASP 54 6.650 3.407 -5.715 389 HA ASP 54 HA ASP 54 7.251 0.741 -6.706 390 HB2 ASP 54 2HB ASP 54 5.974 -0.005 -4.677 391 HB3 ASP 54 1HB ASP 54 7.298 1.091 -4.302 392 H GLU 55 H GLU 55 5.274 -0.887 -6.629 393 HA GLU 55 HA GLU 55 3.016 0.267 -8.165 394 HB2 GLU 55 2HB GLU 55 4.162 -2.558 -8.308 395 HB3 GLU 55 1HB GLU 55 2.772 -1.973 -9.218 396 HG2 GLU 55 2HG GLU 55 4.251 -0.329 -10.376 397 HG3 GLU 55 1HG GLU 55 5.632 -0.987 -9.499 398 H ILE 56 H ILE 56 1.897 0.760 -6.194 399 HA ILE 56 HA ILE 56 1.008 -1.372 -4.408 400 HB ILE 56 HB ILE 56 0.235 1.592 -4.522 401 HG12 ILE 56 2HG1 ILE 56 2.166 0.185 -2.628 402 HG13 ILE 56 1HG1 ILE 56 2.652 1.191 -3.985 403 HG21 ILE 56 1HG2 ILE 56 -1.526 0.259 -3.427 404 HG22 ILE 56 2HG2 ILE 56 -0.700 1.282 -2.250 405 HG23 ILE 56 3HG2 ILE 56 -0.329 -0.442 -2.335 406 HD11 ILE 56 3HD1 ILE 56 1.147 2.111 -1.541 407 HD12 ILE 56 1HD1 ILE 56 1.596 3.125 -2.916 408 HD13 ILE 56 2HD1 ILE 56 2.847 2.393 -1.913 409 H GLU 57 H GLU 57 -1.019 -2.295 -4.468 410 HA GLU 57 HA GLU 57 -3.174 -1.170 -6.141 411 HB2 GLU 57 2HB GLU 57 -2.121 -2.904 -7.542 412 HB3 GLU 57 1HB GLU 57 -2.162 -4.062 -6.214 413 HG2 GLU 57 2HG GLU 57 -4.625 -4.075 -6.290 414 HG3 GLU 57 1HG GLU 57 -4.604 -2.885 -7.588 415 H ILE 58 H ILE 58 -4.732 -0.781 -4.615 416 HA ILE 58 HA ILE 58 -4.851 -2.226 -2.112 417 HB ILE 58 HB ILE 58 -6.777 -0.157 -3.265 418 HG12 ILE 58 2HG1 ILE 58 -4.518 0.795 -2.904 419 HG13 ILE 58 1HG1 ILE 58 -5.669 1.468 -1.761 420 HG21 ILE 58 1HG2 ILE 58 -7.627 0.093 -0.948 421 HG22 ILE 58 2HG2 ILE 58 -6.579 -1.224 -0.420 422 HG23 ILE 58 3HG2 ILE 58 -7.890 -1.543 -1.558 423 HD11 ILE 58 3HD1 ILE 58 -4.774 -0.053 -0.016 424 HD12 ILE 58 1HD1 ILE 58 -3.566 1.053 -0.672 425 HD13 ILE 58 2HD1 ILE 58 -3.577 -0.635 -1.179 426 H LEU 59 H LEU 59 -5.490 -4.242 -2.271 427 HA LEU 59 HA LEU 59 -7.473 -5.216 -4.128 428 HB2 LEU 59 2HB LEU 59 -5.988 -6.540 -1.822 429 HB3 LEU 59 1HB LEU 59 -7.101 -7.392 -2.882 430 HG LEU 59 HG LEU 59 -4.555 -6.024 -3.853 431 HD11 LEU 59 1HD1 LEU 59 -3.988 -7.893 -2.379 432 HD12 LEU 59 2HD1 LEU 59 -3.603 -8.276 -4.055 433 HD13 LEU 59 3HD1 LEU 59 -5.044 -8.966 -3.301 434 HD21 LEU 59 3HD2 LEU 59 -6.260 -6.194 -5.595 435 HD22 LEU 59 1HD2 LEU 59 -6.490 -7.913 -5.246 436 HD23 LEU 59 2HD2 LEU 59 -4.957 -7.335 -5.918 437 H THR 60 H THR 60 -9.577 -5.543 -3.735 438 HA THR 60 HA THR 60 -10.612 -5.565 -0.943 439 HB THR 60 HB THR 60 -12.863 -5.005 -2.010 440 HG1 THR 60 HG1 THR 60 -11.267 -4.284 -4.269 441 HG21 THR 60 3HG2 THR 60 -12.427 -2.593 -2.277 442 HG22 THR 60 1HG2 THR 60 -10.699 -2.899 -2.416 443 HG23 THR 60 2HG2 THR 60 -11.535 -3.234 -0.897 444 HA PRO 61 HA PRO 61 -10.707 -9.880 -2.691 445 HB2 PRO 61 2HB PRO 61 -10.635 -11.130 -0.192 446 HB3 PRO 61 1HB PRO 61 -9.194 -10.667 -1.123 447 HG2 PRO 61 2HG PRO 61 -10.529 -9.204 1.131 448 HG3 PRO 61 1HG PRO 61 -8.797 -9.461 0.821 449 HD2 PRO 61 2HD PRO 61 -9.964 -7.115 0.243 450 HD3 PRO 61 1HD PRO 61 -8.696 -7.789 -0.806 451 H ARG 62 H ARG 62 -12.663 -10.361 -3.407 452 HA ARG 62 HA ARG 62 -14.695 -11.430 -1.742 453 HB2 ARG 62 2HB ARG 62 -15.188 -8.922 -1.572 454 HB3 ARG 62 1HB ARG 62 -15.462 -8.913 -3.312 455 HG2 ARG 62 2HG ARG 62 -17.593 -9.002 -2.132 456 HG3 ARG 62 1HG ARG 62 -17.349 -10.513 -3.019 457 HD2 ARG 62 2HD ARG 62 -18.263 -10.856 -0.728 458 HD3 ARG 62 1HD ARG 62 -16.701 -11.654 -0.958 459 HE ARG 62 HE ARG 62 -16.551 -8.979 0.173 460 HH11 ARG 62 1HH1 ARG 62 -16.774 -12.403 0.949 461 HH12 ARG 62 2HH1 ARG 62 -16.153 -12.185 2.552 462 HH21 ARG 62 2HH2 ARG 62 -15.766 -8.724 2.276 463 HH22 ARG 62 1HH2 ARG 62 -15.588 -10.120 3.303 464 H GLN 63 H GLN 63 -15.132 -9.747 -4.847 465 HA GLN 63 HA GLN 63 -15.230 -10.311 -7.009 466 HB2 GLN 63 2HB GLN 63 -14.071 -13.023 -6.218 467 HB3 GLN 63 1HB GLN 63 -14.280 -12.463 -7.872 468 HG2 GLN 63 2HG GLN 63 -12.628 -10.686 -7.514 469 HG3 GLN 63 1HG GLN 63 -12.470 -11.146 -5.817 470 HE21 GLN 63 1HE2 GLN 63 -10.273 -11.533 -6.004 471 HE22 GLN 63 2HE2 GLN 63 -9.617 -12.887 -6.851 472 H GLY 64 H GLY 64 -15.936 -13.508 -5.579 473 HA2 GLY 64 2HA GLY 64 -17.834 -14.758 -5.392 474 HA3 GLY 64 1HA GLY 64 -18.745 -13.261 -5.456 475 H GLY 65 H GLY 65 -20.293 -14.662 -6.580 476 HA2 GLY 65 2HA GLY 65 -19.756 -15.278 -9.417 477 HA3 GLY 65 1HA GLY 65 -21.162 -15.763 -8.475 478 H LEU 66 H LEU 66 -19.567 -13.045 -9.985 479 HA LEU 66 HA LEU 66 -20.148 -11.012 -10.698 480 HB2 LEU 66 2HB LEU 66 -22.881 -12.292 -10.897 481 HB3 LEU 66 1HB LEU 66 -22.496 -10.719 -11.564 482 HG LEU 66 HG LEU 66 -21.143 -13.298 -12.460 483 HD11 LEU 66 1HD1 LEU 66 -22.578 -13.262 -14.426 484 HD12 LEU 66 2HD1 LEU 66 -23.454 -11.861 -13.802 485 HD13 LEU 66 3HD1 LEU 66 -23.547 -13.413 -12.962 486 HD21 LEU 66 3HD2 LEU 66 -19.821 -11.270 -12.895 487 HD22 LEU 66 1HD2 LEU 66 -21.194 -10.540 -13.739 488 HD23 LEU 66 2HD2 LEU 66 -20.413 -11.984 -14.392 489 H GLU 67 H GLU 67 -19.604 -10.189 -8.635 490 HA GLU 67 HA GLU 67 -21.164 -9.804 -6.403 491 HB2 GLU 67 2HB GLU 67 -19.715 -7.897 -5.832 492 HB3 GLU 67 1HB GLU 67 -18.769 -9.242 -6.442 493 HG2 GLU 67 2HG GLU 67 -19.551 -6.891 -8.184 494 HG3 GLU 67 1HG GLU 67 -18.101 -6.890 -7.192 495 H HIS 68 H HIS 68 -22.721 -8.364 -5.739 496 HA HIS 68 HA HIS 68 -24.343 -7.259 -7.865 497 HB2 HIS 68 2HB HIS 68 -24.846 -7.524 -4.874 498 HB3 HIS 68 1HB HIS 68 -26.019 -6.873 -6.014 499 HD1 HIS 68 HD1 HIS 68 -27.215 -8.558 -7.584 500 HD2 HIS 68 HD2 HIS 68 -24.519 -10.338 -4.974 501 HE1 HIS 68 HE1 HIS 68 -27.681 -11.020 -7.706 502 HE2 HIS 68 HE2 HIS 68 -26.025 -12.073 -6.136 503 H HIS 69 H HIS 69 -23.141 -5.495 -8.561 504 HA HIS 69 HA HIS 69 -23.351 -3.061 -6.864 505 HB2 HIS 69 2HB HIS 69 -21.012 -3.657 -7.568 506 HB3 HIS 69 1HB HIS 69 -21.513 -3.594 -9.252 507 HD1 HIS 69 HD1 HIS 69 -20.863 -1.360 -6.278 508 HD2 HIS 69 HD2 HIS 69 -21.535 -1.030 -10.363 509 HE1 HIS 69 HE1 HIS 69 -20.368 1.032 -6.862 510 HE2 HIS 69 HE2 HIS 69 -20.645 1.159 -9.350 511 H HIS 70 H HIS 70 -24.924 -4.769 -9.176 512 HA HIS 70 HA HIS 70 -26.537 -4.436 -10.706 513 HB2 HIS 70 2HB HIS 70 -27.553 -2.887 -9.080 514 HB3 HIS 70 1HB HIS 70 -26.560 -1.567 -9.681 515 HD1 HIS 70 HD1 HIS 70 -27.221 -0.535 -11.980 516 HD2 HIS 70 HD2 HIS 70 -29.859 -3.434 -10.597 517 HE1 HIS 70 HE1 HIS 70 -29.267 -0.322 -13.416 518 HE2 HIS 70 HE2 HIS 70 -30.731 -2.237 -12.711 519 H HIS 71 H HIS 71 -25.514 -4.811 -12.607 520 HA HIS 71 HA HIS 71 -23.628 -3.143 -13.880 521 HB2 HIS 71 2HB HIS 71 -25.399 -5.298 -15.110 522 HB3 HIS 71 1HB HIS 71 -24.039 -4.532 -15.927 523 HD1 HIS 71 HD1 HIS 71 -24.811 -7.475 -14.035 524 HD2 HIS 71 HD2 HIS 71 -21.509 -4.974 -14.362 525 HE1 HIS 71 HE1 HIS 71 -22.872 -8.790 -13.128 526 HE2 HIS 71 HE2 HIS 71 -20.886 -7.284 -13.413 527 H HIS 72 H HIS 72 -23.830 -1.413 -15.064 528 HA HIS 72 HA HIS 72 -26.379 -0.155 -15.602 529 HB2 HIS 72 2HB HIS 72 -23.559 0.800 -16.289 530 HB3 HIS 72 1HB HIS 72 -25.030 1.767 -16.372 531 HD1 HIS 72 HD1 HIS 72 -22.386 0.685 -14.081 532 HD2 HIS 72 HD2 HIS 72 -26.172 2.359 -13.763 533 HE1 HIS 72 HE1 HIS 72 -22.556 1.516 -11.720 534 HE2 HIS 72 HE2 HIS 72 -24.901 2.390 -11.520 535 H HIS 73 H HIS 73 -27.243 -1.691 -17.029 536 HA HIS 73 HA HIS 73 -26.546 -1.427 -19.836 537 HB2 HIS 73 2HB HIS 73 -25.059 -3.288 -19.109 538 HB3 HIS 73 1HB HIS 73 -26.440 -4.149 -18.440 539 HD1 HIS 73 HD1 HIS 73 -27.953 -5.415 -20.081 540 HD2 HIS 73 HD2 HIS 73 -24.848 -3.387 -21.952 541 HE1 HIS 73 HE1 HIS 73 -27.946 -6.240 -22.449 542 HE2 HIS 73 HE2 HIS 73 -25.932 -5.157 -23.492 Start of MODEL 18 1 H1 MET 1 1H MET 1 5.605 10.484 -0.262 2 H2 MET 1 2H MET 1 6.145 11.745 -1.235 3 H3 MET 1 3H MET 1 7.193 11.037 -0.112 4 HA MET 1 HA MET 1 7.704 10.313 -2.301 5 HB2 MET 1 2HB MET 1 7.508 7.825 -1.876 6 HB3 MET 1 1HB MET 1 8.218 8.754 -0.570 7 HG2 MET 1 2HG MET 1 6.028 8.675 0.630 8 HG3 MET 1 1HG MET 1 5.403 7.645 -0.662 9 HE1 MET 1 3HE MET 1 8.109 7.938 2.205 10 HE2 MET 1 1HE MET 1 9.080 7.581 0.773 11 HE3 MET 1 2HE MET 1 8.918 6.378 2.054 12 H LEU 2 H LEU 2 6.981 10.096 -4.307 13 HA LEU 2 HA LEU 2 4.154 9.963 -4.950 14 HB2 LEU 2 2HB LEU 2 5.688 11.435 -6.221 15 HB3 LEU 2 1HB LEU 2 6.647 10.047 -6.709 16 HG LEU 2 HG LEU 2 4.622 9.178 -7.986 17 HD11 LEU 2 1HD1 LEU 2 2.781 10.726 -8.486 18 HD12 LEU 2 2HD1 LEU 2 3.452 11.897 -7.345 19 HD13 LEU 2 3HD1 LEU 2 2.866 10.337 -6.769 20 HD21 LEU 2 3HD2 LEU 2 5.634 11.904 -8.851 21 HD22 LEU 2 1HD2 LEU 2 4.869 10.696 -9.892 22 HD23 LEU 2 2HD2 LEU 2 6.430 10.357 -9.147 23 H VAL 3 H VAL 3 3.382 7.928 -4.490 24 HA VAL 3 HA VAL 3 4.757 5.529 -5.578 25 HB VAL 3 HB VAL 3 3.651 4.213 -3.831 26 HG11 VAL 3 1HG1 VAL 3 4.730 5.167 -1.820 27 HG12 VAL 3 2HG1 VAL 3 4.946 6.701 -2.659 28 HG13 VAL 3 3HG1 VAL 3 5.784 5.256 -3.229 29 HG21 VAL 3 3HG2 VAL 3 1.501 5.428 -3.658 30 HG22 VAL 3 1HG2 VAL 3 2.318 6.793 -2.892 31 HG23 VAL 3 2HG2 VAL 3 2.235 5.234 -2.067 32 H THR 4 H THR 4 3.494 3.970 -6.712 33 HA THR 4 HA THR 4 1.290 5.158 -8.188 34 HB THR 4 HB THR 4 2.460 2.373 -8.604 35 HG1 THR 4 HG1 THR 4 3.861 4.530 -8.726 36 HG21 THR 4 3HG2 THR 4 1.732 2.732 -10.937 37 HG22 THR 4 1HG2 THR 4 1.107 4.324 -10.503 38 HG23 THR 4 2HG2 THR 4 0.364 2.871 -9.828 39 H ILE 5 H ILE 5 -0.594 5.125 -7.009 40 HA ILE 5 HA ILE 5 -1.361 2.736 -5.468 41 HB ILE 5 HB ILE 5 -2.618 5.511 -5.475 42 HG12 ILE 5 2HG1 ILE 5 -0.853 4.138 -3.399 43 HG13 ILE 5 1HG1 ILE 5 -0.386 5.500 -4.414 44 HG21 ILE 5 1HG2 ILE 5 -3.965 4.740 -3.532 45 HG22 ILE 5 2HG2 ILE 5 -3.277 3.122 -3.687 46 HG23 ILE 5 3HG2 ILE 5 -4.311 3.769 -4.964 47 HD11 ILE 5 3HD1 ILE 5 -2.063 6.894 -3.264 48 HD12 ILE 5 1HD1 ILE 5 -0.861 6.227 -2.159 49 HD13 ILE 5 2HD1 ILE 5 -2.477 5.524 -2.230 50 H ASN 6 H ASN 6 -2.366 1.272 -6.684 51 HA ASN 6 HA ASN 6 -3.783 0.187 -8.044 52 HB2 ASN 6 2HB ASN 6 -5.544 2.629 -7.591 53 HB3 ASN 6 1HB ASN 6 -6.113 1.128 -8.309 54 HD21 ASN 6 1HD2 ASN 6 -7.595 0.648 -6.716 55 HD22 ASN 6 2HD2 ASN 6 -7.170 0.264 -5.086 56 H GLY 7 H GLY 7 -1.736 1.654 -9.272 57 HA2 GLY 7 2HA GLY 7 -1.063 1.827 -11.491 58 HA3 GLY 7 1HA GLY 7 -2.738 1.793 -12.011 59 H GLU 8 H GLU 8 -2.672 4.055 -9.633 60 HA GLU 8 HA GLU 8 -2.151 6.326 -11.478 61 HB2 GLU 8 2HB GLU 8 -4.135 6.203 -9.169 62 HB3 GLU 8 1HB GLU 8 -3.931 7.539 -10.306 63 HG2 GLU 8 2HG GLU 8 -4.833 6.222 -12.115 64 HG3 GLU 8 1HG GLU 8 -4.847 4.760 -11.124 65 H GLN 9 H GLN 9 -0.281 7.269 -10.842 66 HA GLN 9 HA GLN 9 0.965 6.883 -8.315 67 HB2 GLN 9 2HB GLN 9 1.576 8.929 -10.483 68 HB3 GLN 9 1HB GLN 9 2.629 8.544 -9.121 69 HG2 GLN 9 2HG GLN 9 2.831 6.218 -9.944 70 HG3 GLN 9 1HG GLN 9 1.799 6.613 -11.315 71 HE21 GLN 9 1HE2 GLN 9 4.537 5.598 -11.277 72 HE22 GLN 9 2HE2 GLN 9 5.486 6.742 -12.160 73 H ARG 10 H ARG 10 0.458 7.821 -6.482 74 HA ARG 10 HA ARG 10 -0.568 10.574 -6.298 75 HB2 ARG 10 2HB ARG 10 -2.289 8.876 -5.665 76 HB3 ARG 10 1HB ARG 10 -1.186 8.236 -4.455 77 HG2 ARG 10 2HG ARG 10 -1.219 10.505 -3.331 78 HG3 ARG 10 1HG ARG 10 -2.457 10.996 -4.489 79 HD2 ARG 10 2HD ARG 10 -2.668 8.823 -2.392 80 HD3 ARG 10 1HD ARG 10 -3.506 10.380 -2.398 81 HE ARG 10 HE ARG 10 -4.144 8.954 -4.751 82 HH11 ARG 10 2HH1 ARG 10 -4.824 8.908 -1.310 83 HH12 ARG 10 1HH1 ARG 10 -6.354 8.112 -1.503 84 HH21 ARG 10 2HH2 ARG 10 -6.116 7.849 -4.982 85 HH22 ARG 10 1HH2 ARG 10 -7.092 7.512 -3.584 86 H GLU 11 H GLU 11 0.524 11.873 -4.883 87 HA GLU 11 HA GLU 11 2.969 10.953 -3.631 88 HB2 GLU 11 2HB GLU 11 2.519 13.255 -4.792 89 HB3 GLU 11 1HB GLU 11 1.685 13.701 -3.309 90 HG2 GLU 11 2HG GLU 11 4.581 12.805 -3.425 91 HG3 GLU 11 1HG GLU 11 4.084 14.489 -3.524 92 H VAL 12 H VAL 12 3.048 10.205 -1.561 93 HA VAL 12 HA VAL 12 0.959 10.916 0.388 94 HB VAL 12 HB VAL 12 0.939 8.614 1.302 95 HG11 VAL 12 1HG1 VAL 12 0.266 8.634 -1.661 96 HG12 VAL 12 2HG1 VAL 12 -0.783 9.186 -0.354 97 HG13 VAL 12 3HG1 VAL 12 -0.344 7.481 -0.469 98 HG21 VAL 12 3HG2 VAL 12 3.202 7.873 0.677 99 HG22 VAL 12 1HG2 VAL 12 2.750 7.864 -1.032 100 HG23 VAL 12 2HG2 VAL 12 2.002 6.720 0.087 101 H GLN 13 H GLN 13 1.628 10.693 2.631 102 HA GLN 13 HA GLN 13 4.449 11.417 3.001 103 HB2 GLN 13 2HB GLN 13 2.605 12.875 3.902 104 HB3 GLN 13 1HB GLN 13 2.148 11.569 4.991 105 HG2 GLN 13 2HG GLN 13 4.323 11.716 6.110 106 HG3 GLN 13 1HG GLN 13 4.845 12.964 4.986 107 HE21 GLN 13 1HE2 GLN 13 3.970 15.066 5.184 108 HE22 GLN 13 2HE2 GLN 13 3.159 15.575 6.623 109 H SER 14 H SER 14 2.255 8.817 3.625 110 HA SER 14 HA SER 14 3.542 7.654 5.890 111 HB2 SER 14 2HB SER 14 1.619 6.394 3.900 112 HB3 SER 14 1HB SER 14 2.055 5.736 5.481 113 HG SER 14 HG SER 14 0.643 7.008 6.343 114 H ALA 15 H ALA 15 5.505 6.818 5.833 115 HA ALA 15 HA ALA 15 6.569 5.313 3.539 116 HB1 ALA 15 3HB ALA 15 7.928 6.167 6.126 117 HB2 ALA 15 1HB ALA 15 8.029 7.006 4.576 118 HB3 ALA 15 2HB ALA 15 8.718 5.391 4.748 119 H SER 16 H SER 16 4.507 4.489 5.792 120 HA SER 16 HA SER 16 5.461 1.694 6.023 121 HB2 SER 16 2HB SER 16 5.474 2.712 8.281 122 HB3 SER 16 1HB SER 16 3.822 3.282 8.062 123 HG SER 16 HG SER 16 3.990 1.325 9.294 124 H VAL 17 H VAL 17 3.974 0.169 5.378 125 HA VAL 17 HA VAL 17 1.788 0.979 3.740 126 HB VAL 17 HB VAL 17 2.639 -1.789 4.708 127 HG11 VAL 17 1HG1 VAL 17 0.224 -1.891 4.213 128 HG12 VAL 17 2HG1 VAL 17 1.140 -2.757 2.980 129 HG13 VAL 17 3HG1 VAL 17 0.500 -1.148 2.635 130 HG21 VAL 17 3HG2 VAL 17 3.465 -2.070 2.386 131 HG22 VAL 17 1HG2 VAL 17 4.235 -0.694 3.188 132 HG23 VAL 17 2HG2 VAL 17 2.949 -0.425 2.009 133 H ALA 18 H ALA 18 2.010 -0.261 7.080 134 HA ALA 18 HA ALA 18 -0.699 -0.629 7.663 135 HB1 ALA 18 3HB ALA 18 1.500 0.357 9.521 136 HB2 ALA 18 1HB ALA 18 1.087 -1.327 9.191 137 HB3 ALA 18 2HB ALA 18 -0.061 -0.290 10.034 138 H ALA 19 H ALA 19 1.310 2.271 8.245 139 HA ALA 19 HA ALA 19 -0.754 4.014 9.034 140 HB1 ALA 19 3HB ALA 19 0.900 5.806 8.702 141 HB2 ALA 19 1HB ALA 19 1.947 4.688 7.829 142 HB3 ALA 19 2HB ALA 19 1.613 4.430 9.545 143 H LEU 20 H LEU 20 0.523 3.151 5.869 144 HA LEU 20 HA LEU 20 -0.521 5.297 4.356 145 HB2 LEU 20 2HB LEU 20 1.286 3.820 3.538 146 HB3 LEU 20 1HB LEU 20 0.168 2.468 3.469 147 HG LEU 20 HG LEU 20 -1.117 3.591 1.672 148 HD11 LEU 20 1HD1 LEU 20 -0.282 5.641 0.594 149 HD12 LEU 20 2HD1 LEU 20 0.949 5.802 1.854 150 HD13 LEU 20 3HD1 LEU 20 -0.764 5.916 2.267 151 HD21 LEU 20 3HD2 LEU 20 0.515 3.387 -0.132 152 HD22 LEU 20 1HD2 LEU 20 0.712 2.085 1.038 153 HD23 LEU 20 2HD2 LEU 20 1.843 3.443 1.032 154 H MET 21 H MET 21 -1.717 1.951 4.800 155 HA MET 21 HA MET 21 -4.142 2.410 3.382 156 HB2 MET 21 2HB MET 21 -3.412 0.130 5.259 157 HB3 MET 21 1HB MET 21 -4.801 0.155 4.173 158 HG2 MET 21 2HG MET 21 -3.149 0.414 2.253 159 HG3 MET 21 1HG MET 21 -1.868 0.074 3.419 160 HE1 MET 21 3HE MET 21 -4.902 -1.341 1.389 161 HE2 MET 21 1HE MET 21 -5.528 -1.462 3.038 162 HE3 MET 21 2HE MET 21 -5.131 -2.922 2.133 163 H THR 22 H THR 22 -3.214 2.771 6.775 164 HA THR 22 HA THR 22 -5.830 3.112 7.837 165 HB THR 22 HB THR 22 -3.187 4.259 8.837 166 HG1 THR 22 HG1 THR 22 -3.695 1.831 8.690 167 HG21 THR 22 3HG2 THR 22 -5.843 3.974 10.300 168 HG22 THR 22 1HG2 THR 22 -5.084 5.500 9.843 169 HG23 THR 22 2HG2 THR 22 -4.320 4.457 11.046 170 H GLU 23 H GLU 23 -3.527 5.316 6.320 171 HA GLU 23 HA GLU 23 -4.930 7.762 6.725 172 HB2 GLU 23 2HB GLU 23 -2.466 7.560 6.240 173 HB3 GLU 23 1HB GLU 23 -2.850 7.045 4.603 174 HG2 GLU 23 2HG GLU 23 -2.219 9.379 4.560 175 HG3 GLU 23 1HG GLU 23 -3.941 9.244 4.190 176 H LEU 24 H LEU 24 -4.903 5.308 4.189 177 HA LEU 24 HA LEU 24 -6.519 6.856 2.319 178 HB2 LEU 24 2HB LEU 24 -5.418 4.027 2.095 179 HB3 LEU 24 1HB LEU 24 -6.164 4.937 0.789 180 HG LEU 24 HG LEU 24 -3.526 5.618 2.155 181 HD11 LEU 24 1HD1 LEU 24 -4.019 4.556 -0.631 182 HD12 LEU 24 2HD1 LEU 24 -3.309 3.672 0.722 183 HD13 LEU 24 3HD1 LEU 24 -2.459 5.054 0.037 184 HD21 LEU 24 3HD2 LEU 24 -3.266 7.361 0.440 185 HD22 LEU 24 1HD2 LEU 24 -4.654 7.661 1.484 186 HD23 LEU 24 2HD2 LEU 24 -4.898 7.028 -0.148 187 H ASP 25 H ASP 25 -7.350 5.255 5.019 188 HA ASP 25 HA ASP 25 -9.191 4.298 5.907 189 HB2 ASP 25 2HB ASP 25 -10.224 6.382 4.929 190 HB3 ASP 25 1HB ASP 25 -10.657 5.462 3.490 191 H CYS 26 H CYS 26 -7.645 2.619 4.594 192 HA CYS 26 HA CYS 26 -9.375 0.534 3.442 193 HB2 CYS 26 2HB CYS 26 -6.424 1.026 2.848 194 HB3 CYS 26 1HB CYS 26 -7.450 -0.201 2.102 195 HG CYS 26 HG CYS 26 -8.760 2.798 1.678 196 H THR 27 H THR 27 -8.350 1.239 6.293 197 HA THR 27 HA THR 27 -6.929 -1.280 6.956 198 HB THR 27 HB THR 27 -5.922 0.873 7.765 199 HG1 THR 27 HG1 THR 27 -6.858 -0.902 9.799 200 HG21 THR 27 3HG2 THR 27 -6.957 2.123 9.610 201 HG22 THR 27 1HG2 THR 27 -8.377 1.079 9.552 202 HG23 THR 27 2HG2 THR 27 -8.012 2.149 8.195 203 H ASP 28 H ASP 28 -9.793 -1.009 6.231 204 HA ASP 28 HA ASP 28 -11.531 -1.290 8.438 205 HB2 ASP 28 2HB ASP 28 -11.840 -2.419 5.618 206 HB3 ASP 28 1HB ASP 28 -13.139 -2.219 6.795 207 H GLY 29 H GLY 29 -9.382 -3.542 6.862 208 HA2 GLY 29 2HA GLY 29 -8.581 -5.385 8.246 209 HA3 GLY 29 1HA GLY 29 -10.250 -5.722 8.690 210 H HIS 30 H HIS 30 -11.410 -5.431 6.134 211 HA HIS 30 HA HIS 30 -10.748 -8.070 5.059 212 HB2 HIS 30 2HB HIS 30 -13.029 -6.212 4.283 213 HB3 HIS 30 1HB HIS 30 -12.850 -7.899 3.822 214 HD1 HIS 30 HD1 HIS 30 -14.239 -9.408 5.188 215 HD2 HIS 30 HD2 HIS 30 -13.189 -5.997 7.303 216 HE1 HIS 30 HE1 HIS 30 -15.320 -9.647 7.436 217 HE2 HIS 30 HE2 HIS 30 -14.543 -7.649 8.742 218 H TYR 31 H TYR 31 -9.609 -5.048 4.497 219 HA TYR 31 HA TYR 31 -9.260 -5.223 1.601 220 HB2 TYR 31 2HB TYR 31 -8.396 -3.225 3.721 221 HB3 TYR 31 1HB TYR 31 -7.691 -3.172 2.113 222 HD1 TYR 31 HD2 TYR 31 -10.989 -2.980 3.903 223 HD2 TYR 31 HD1 TYR 31 -8.764 -1.970 0.398 224 HE1 TYR 31 HE2 TYR 31 -12.818 -1.519 3.152 225 HE2 TYR 31 HE1 TYR 31 -10.586 -0.508 -0.339 226 HH TYR 31 HH TYR 31 -13.033 0.530 1.675 227 H ALA 32 H ALA 32 -7.202 -5.343 0.661 228 HA ALA 32 HA ALA 32 -4.891 -6.189 2.272 229 HB1 ALA 32 3HB ALA 32 -5.810 -7.522 -0.308 230 HB2 ALA 32 1HB ALA 32 -5.866 -8.242 1.303 231 HB3 ALA 32 2HB ALA 32 -4.308 -7.880 0.554 232 H VAL 33 H VAL 33 -2.913 -6.032 0.876 233 HA VAL 33 HA VAL 33 -3.047 -3.888 -1.154 234 HB VAL 33 HB VAL 33 -2.234 -2.937 1.007 235 HG11 VAL 33 1HG1 VAL 33 -0.088 -3.657 1.987 236 HG12 VAL 33 2HG1 VAL 33 0.024 -4.961 0.810 237 HG13 VAL 33 3HG1 VAL 33 -1.275 -4.957 2.007 238 HG21 VAL 33 3HG2 VAL 33 -0.044 -3.099 -1.105 239 HG22 VAL 33 1HG2 VAL 33 -0.139 -1.888 0.179 240 HG23 VAL 33 2HG2 VAL 33 -1.378 -1.945 -1.076 241 H ALA 34 H ALA 34 -1.488 -4.087 -2.782 242 HA ALA 34 HA ALA 34 0.185 -6.520 -2.834 243 HB1 ALA 34 3HB ALA 34 -1.311 -5.280 -5.174 244 HB2 ALA 34 1HB ALA 34 -1.707 -6.805 -4.382 245 HB3 ALA 34 2HB ALA 34 -0.195 -6.644 -5.280 246 H LEU 35 H LEU 35 2.084 -5.619 -2.301 247 HA LEU 35 HA LEU 35 2.998 -3.081 -3.443 248 HB2 LEU 35 2HB LEU 35 3.442 -3.496 -1.055 249 HB3 LEU 35 1HB LEU 35 4.293 -4.980 -1.454 250 HG LEU 35 HG LEU 35 5.986 -3.541 -2.755 251 HD11 LEU 35 1HD1 LEU 35 6.135 -1.160 -2.202 252 HD12 LEU 35 2HD1 LEU 35 4.621 -1.261 -1.299 253 HD13 LEU 35 3HD1 LEU 35 4.633 -1.541 -3.042 254 HD21 LEU 35 3HD2 LEU 35 5.825 -3.040 0.225 255 HD22 LEU 35 1HD2 LEU 35 7.266 -2.925 -0.790 256 HD23 LEU 35 2HD2 LEU 35 6.485 -4.485 -0.546 257 H ASN 36 H ASN 36 3.787 -3.226 -5.440 258 HA ASN 36 HA ASN 36 4.575 -3.989 -7.420 259 HB2 ASN 36 2HB ASN 36 6.618 -5.453 -5.692 260 HB3 ASN 36 1HB ASN 36 6.815 -5.054 -7.396 261 HD21 ASN 36 1HD2 ASN 36 8.508 -4.303 -5.174 262 HD22 ASN 36 2HD2 ASN 36 8.548 -2.575 -5.130 263 H TYR 37 H TYR 37 2.378 -5.298 -6.659 264 HA TYR 37 HA TYR 37 1.023 -6.969 -7.274 265 HB2 TYR 37 2HB TYR 37 3.445 -8.223 -8.624 266 HB3 TYR 37 1HB TYR 37 1.800 -8.831 -8.776 267 HD1 TYR 37 HD2 TYR 37 4.048 -5.989 -9.643 268 HD2 TYR 37 HD1 TYR 37 0.201 -7.743 -10.267 269 HE1 TYR 37 HE2 TYR 37 3.672 -4.464 -11.518 270 HE2 TYR 37 HE1 TYR 37 -0.174 -6.217 -12.157 271 HH TYR 37 HH TYR 37 0.692 -3.897 -12.853 272 H ASP 38 H ASP 38 3.583 -7.470 -5.135 273 HA ASP 38 HA ASP 38 2.878 -10.180 -4.312 274 HB2 ASP 38 2HB ASP 38 5.233 -9.520 -4.113 275 HB3 ASP 38 1HB ASP 38 4.798 -8.119 -3.140 276 H VAL 39 H VAL 39 1.119 -10.521 -3.074 277 HA VAL 39 HA VAL 39 -0.329 -8.391 -1.821 278 HB VAL 39 HB VAL 39 -0.783 -11.391 -1.529 279 HG11 VAL 39 1HG1 VAL 39 -3.115 -10.775 -0.935 280 HG12 VAL 39 2HG1 VAL 39 -2.697 -9.063 -1.052 281 HG13 VAL 39 3HG1 VAL 39 -1.963 -10.067 0.200 282 HG21 VAL 39 3HG2 VAL 39 -2.421 -11.177 -3.354 283 HG22 VAL 39 1HG2 VAL 39 -0.803 -10.731 -3.902 284 HG23 VAL 39 2HG2 VAL 39 -1.992 -9.475 -3.552 285 H VAL 40 H VAL 40 0.141 -7.575 0.083 286 HA VAL 40 HA VAL 40 1.644 -9.085 2.119 287 HB VAL 40 HB VAL 40 1.149 -6.089 1.918 288 HG11 VAL 40 1HG1 VAL 40 2.940 -7.619 3.839 289 HG12 VAL 40 2HG1 VAL 40 1.443 -6.782 4.256 290 HG13 VAL 40 3HG1 VAL 40 2.846 -5.858 3.714 291 HG21 VAL 40 3HG2 VAL 40 3.687 -7.648 1.283 292 HG22 VAL 40 1HG2 VAL 40 3.544 -5.886 1.293 293 HG23 VAL 40 2HG2 VAL 40 2.647 -6.839 0.108 294 HA PRO 41 HA PRO 41 -2.399 -9.147 4.327 295 HB2 PRO 41 2HB PRO 41 -1.666 -10.867 6.321 296 HB3 PRO 41 1HB PRO 41 -1.982 -11.440 4.666 297 HG2 PRO 41 2HG PRO 41 0.668 -10.848 5.979 298 HG3 PRO 41 1HG PRO 41 0.199 -12.249 4.986 299 HD2 PRO 41 2HD PRO 41 1.592 -10.131 3.967 300 HD3 PRO 41 1HD PRO 41 0.466 -11.091 2.986 301 H ARG 42 H ARG 42 -3.067 -8.651 6.572 302 HA ARG 42 HA ARG 42 -2.312 -6.100 7.301 303 HB2 ARG 42 2HB ARG 42 -3.744 -8.130 9.066 304 HB3 ARG 42 1HB ARG 42 -3.708 -6.385 9.327 305 HG2 ARG 42 2HG ARG 42 -4.946 -6.016 7.252 306 HG3 ARG 42 1HG ARG 42 -4.939 -7.752 6.918 307 HD2 ARG 42 2HD ARG 42 -6.313 -6.350 9.237 308 HD3 ARG 42 1HD ARG 42 -7.096 -7.109 7.847 309 HE ARG 42 HE ARG 42 -5.526 -8.628 9.863 310 HH11 ARG 42 2HH1 ARG 42 -8.400 -8.384 7.853 311 HH12 ARG 42 1HH1 ARG 42 -9.025 -9.917 8.366 312 HH21 ARG 42 2HH2 ARG 42 -6.361 -10.653 10.498 313 HH22 ARG 42 1HH2 ARG 42 -7.875 -11.196 9.853 314 H GLY 43 H GLY 43 -1.292 -9.133 8.785 315 HA2 GLY 43 2HA GLY 43 -0.046 -8.166 11.105 316 HA3 GLY 43 1HA GLY 43 0.281 -9.697 10.323 317 H LYS 44 H LYS 44 1.092 -8.082 7.801 318 HA LYS 44 HA LYS 44 3.849 -7.466 8.700 319 HB2 LYS 44 2HB LYS 44 2.863 -8.455 6.000 320 HB3 LYS 44 1HB LYS 44 4.513 -7.914 6.314 321 HG2 LYS 44 2HG LYS 44 4.609 -9.730 8.115 322 HG3 LYS 44 1HG LYS 44 3.111 -10.364 7.417 323 HD2 LYS 44 2HD LYS 44 5.761 -9.981 5.952 324 HD3 LYS 44 1HD LYS 44 5.108 -11.526 6.503 325 HE2 LYS 44 2HE LYS 44 3.341 -11.456 4.885 326 HE3 LYS 44 1HE LYS 44 3.626 -9.754 4.527 327 HZ1 LYS 44 3HZ LYS 44 5.735 -10.338 3.543 328 HZ2 LYS 44 1HZ LYS 44 4.475 -11.177 2.795 329 HZ3 LYS 44 2HZ LYS 44 5.483 -11.974 3.886 330 H TRP 45 H TRP 45 1.014 -5.901 7.572 331 HA TRP 45 HA TRP 45 1.915 -3.923 5.806 332 HB2 TRP 45 2HB TRP 45 -0.162 -3.703 8.027 333 HB3 TRP 45 1HB TRP 45 0.139 -2.398 6.890 334 HD1 TRP 45 HD1 TRP 45 0.344 -5.273 4.738 335 HE1 TRP 45 HE1 TRP 45 -1.911 -5.804 3.630 336 HE3 TRP 45 HE3 TRP 45 -2.720 -2.460 7.708 337 HZ2 TRP 45 HZ2 TRP 45 -4.617 -5.127 3.941 338 HZ3 TRP 45 HZ3 TRP 45 -5.142 -2.436 7.226 339 HH2 TRP 45 HH2 TRP 45 -6.074 -3.746 5.374 340 H ASP 46 H ASP 46 2.100 -4.027 9.310 341 HA ASP 46 HA ASP 46 3.292 -1.543 9.884 342 HB2 ASP 46 2HB ASP 46 3.517 -4.184 11.400 343 HB3 ASP 46 1HB ASP 46 3.896 -2.594 12.064 344 H GLU 47 H GLU 47 4.666 -4.693 9.142 345 HA GLU 47 HA GLU 47 7.419 -3.936 9.611 346 HB2 GLU 47 2HB GLU 47 6.264 -6.499 8.438 347 HB3 GLU 47 1HB GLU 47 7.904 -6.280 9.047 348 HG2 GLU 47 2HG GLU 47 5.327 -6.261 10.660 349 HG3 GLU 47 1HG GLU 47 6.574 -7.511 10.662 350 H THR 48 H THR 48 5.325 -3.575 6.996 351 HA THR 48 HA THR 48 7.408 -3.887 4.926 352 HB THR 48 HB THR 48 4.384 -3.596 4.587 353 HG1 THR 48 HG1 THR 48 5.507 -5.612 5.560 354 HG21 THR 48 3HG2 THR 48 6.509 -4.415 2.569 355 HG22 THR 48 1HG2 THR 48 5.697 -2.848 2.600 356 HG23 THR 48 2HG2 THR 48 4.773 -4.315 2.265 357 HA PRO 49 HA PRO 49 7.319 0.708 5.101 358 HB2 PRO 49 2HB PRO 49 9.672 1.148 3.793 359 HB3 PRO 49 1HB PRO 49 9.633 0.596 5.482 360 HG2 PRO 49 2HG PRO 49 10.088 -1.024 2.990 361 HG3 PRO 49 1HG PRO 49 10.951 -1.092 4.544 362 HD2 PRO 49 2HD PRO 49 8.966 -2.864 3.862 363 HD3 PRO 49 1HD PRO 49 9.329 -2.417 5.545 364 H VAL 50 H VAL 50 7.528 2.393 3.376 365 HA VAL 50 HA VAL 50 6.578 1.551 0.690 366 HB VAL 50 HB VAL 50 5.716 3.987 2.332 367 HG11 VAL 50 1HG1 VAL 50 5.769 4.541 -0.056 368 HG12 VAL 50 2HG1 VAL 50 4.106 4.474 0.525 369 HG13 VAL 50 3HG1 VAL 50 4.769 3.137 -0.420 370 HG21 VAL 50 3HG2 VAL 50 3.477 2.964 2.418 371 HG22 VAL 50 1HG2 VAL 50 4.680 1.899 3.150 372 HG23 VAL 50 2HG2 VAL 50 4.073 1.558 1.527 373 H THR 51 H THR 51 7.547 2.649 -1.055 374 HA THR 51 HA THR 51 9.236 5.007 -0.576 375 HB THR 51 HB THR 51 10.220 2.510 -2.047 376 HG1 THR 51 HG1 THR 51 10.565 3.525 0.507 377 HG21 THR 51 3HG2 THR 51 11.072 4.570 -3.148 378 HG22 THR 51 1HG2 THR 51 12.371 3.694 -2.330 379 HG23 THR 51 2HG2 THR 51 11.684 5.143 -1.595 380 H ALA 52 H ALA 52 9.442 6.352 -2.396 381 HA ALA 52 HA ALA 52 7.285 6.605 -4.144 382 HB1 ALA 52 3HB ALA 52 10.090 7.729 -4.514 383 HB2 ALA 52 1HB ALA 52 8.788 8.480 -3.593 384 HB3 ALA 52 2HB ALA 52 8.637 8.299 -5.341 385 H GLY 53 H GLY 53 6.756 5.618 -6.023 386 HA2 GLY 53 2HA GLY 53 7.331 4.971 -8.268 387 HA3 GLY 53 1HA GLY 53 8.817 4.265 -7.671 388 H ASP 54 H ASP 54 7.010 3.096 -5.343 389 HA ASP 54 HA ASP 54 6.896 0.507 -6.557 390 HB2 ASP 54 2HB ASP 54 5.950 1.491 -3.849 391 HB3 ASP 54 1HB ASP 54 5.837 -0.194 -4.345 392 H GLU 55 H GLU 55 5.264 -0.758 -7.154 393 HA GLU 55 HA GLU 55 2.756 0.414 -7.996 394 HB2 GLU 55 2HB GLU 55 3.886 -2.412 -8.273 395 HB3 GLU 55 1HB GLU 55 2.323 -1.931 -8.911 396 HG2 GLU 55 2HG GLU 55 4.038 -2.009 -10.670 397 HG3 GLU 55 1HG GLU 55 3.372 -0.389 -10.471 398 H ILE 56 H ILE 56 1.890 0.915 -5.918 399 HA ILE 56 HA ILE 56 1.226 -1.256 -4.060 400 HB ILE 56 HB ILE 56 0.818 1.761 -3.833 401 HG12 ILE 56 2HG1 ILE 56 2.926 -0.053 -2.569 402 HG13 ILE 56 1HG1 ILE 56 3.210 1.104 -3.866 403 HG21 ILE 56 1HG2 ILE 56 -0.836 0.522 -2.469 404 HG22 ILE 56 2HG2 ILE 56 0.318 1.379 -1.447 405 HG23 ILE 56 3HG2 ILE 56 0.473 -0.362 -1.682 406 HD11 ILE 56 3HD1 ILE 56 2.455 1.728 -1.016 407 HD12 ILE 56 1HD1 ILE 56 2.608 2.924 -2.307 408 HD13 ILE 56 2HD1 ILE 56 4.012 1.991 -1.801 409 H GLU 57 H GLU 57 -0.365 -2.357 -5.082 410 HA GLU 57 HA GLU 57 -2.797 -1.035 -6.055 411 HB2 GLU 57 2HB GLU 57 -1.781 -2.672 -7.563 412 HB3 GLU 57 1HB GLU 57 -1.782 -3.895 -6.298 413 HG2 GLU 57 2HG GLU 57 -4.257 -3.910 -6.318 414 HG3 GLU 57 1HG GLU 57 -4.252 -2.680 -7.579 415 H ILE 58 H ILE 58 -4.175 -0.632 -4.383 416 HA ILE 58 HA ILE 58 -4.310 -2.294 -2.022 417 HB ILE 58 HB ILE 58 -6.109 0.004 -2.908 418 HG12 ILE 58 2HG1 ILE 58 -3.780 -0.021 -0.932 419 HG13 ILE 58 1HG1 ILE 58 -3.738 0.673 -2.552 420 HG21 ILE 58 1HG2 ILE 58 -6.902 0.080 -0.558 421 HG22 ILE 58 2HG2 ILE 58 -5.931 -1.344 -0.181 422 HG23 ILE 58 3HG2 ILE 58 -7.282 -1.474 -1.309 423 HD11 ILE 58 3HD1 ILE 58 -5.447 2.299 -1.873 424 HD12 ILE 58 1HD1 ILE 58 -3.982 2.394 -0.903 425 HD13 ILE 58 2HD1 ILE 58 -5.423 1.627 -0.240 426 H LEU 59 H LEU 59 -5.112 -4.249 -2.349 427 HA LEU 59 HA LEU 59 -7.169 -4.882 -4.266 428 HB2 LEU 59 2HB LEU 59 -5.596 -6.481 -2.230 429 HB3 LEU 59 1HB LEU 59 -6.899 -7.212 -3.155 430 HG LEU 59 HG LEU 59 -4.441 -5.931 -4.426 431 HD11 LEU 59 1HD1 LEU 59 -3.753 -7.864 -3.115 432 HD12 LEU 59 2HD1 LEU 59 -3.635 -8.208 -4.839 433 HD13 LEU 59 3HD1 LEU 59 -4.981 -8.863 -3.899 434 HD21 LEU 59 3HD2 LEU 59 -5.197 -7.108 -6.463 435 HD22 LEU 59 1HD2 LEU 59 -6.412 -5.965 -5.895 436 HD23 LEU 59 2HD2 LEU 59 -6.625 -7.695 -5.603 437 H THR 60 H THR 60 -9.292 -5.253 -3.860 438 HA THR 60 HA THR 60 -10.198 -5.707 -1.080 439 HB THR 60 HB THR 60 -12.539 -5.374 -2.077 440 HG1 THR 60 HG1 THR 60 -11.705 -3.775 -4.108 441 HG21 THR 60 3HG2 THR 60 -12.448 -2.923 -1.999 442 HG22 THR 60 1HG2 THR 60 -10.688 -2.965 -2.158 443 HG23 THR 60 2HG2 THR 60 -11.464 -3.617 -0.712 444 HA PRO 61 HA PRO 61 -9.663 -9.967 -2.856 445 HB2 PRO 61 2HB PRO 61 -10.364 -10.497 0.034 446 HB3 PRO 61 1HB PRO 61 -9.105 -11.241 -0.976 447 HG2 PRO 61 2HG PRO 61 -8.440 -9.433 0.844 448 HG3 PRO 61 1HG PRO 61 -7.656 -9.430 -0.755 449 HD2 PRO 61 2HD PRO 61 -9.791 -7.599 0.299 450 HD3 PRO 61 1HD PRO 61 -8.422 -7.235 -0.774 451 H ARG 62 H ARG 62 -11.245 -11.068 -3.841 452 HA ARG 62 HA ARG 62 -13.954 -10.291 -3.746 453 HB2 ARG 62 2HB ARG 62 -12.935 -12.960 -4.843 454 HB3 ARG 62 1HB ARG 62 -14.404 -12.104 -5.311 455 HG2 ARG 62 2HG ARG 62 -11.549 -11.226 -5.871 456 HG3 ARG 62 1HG ARG 62 -12.691 -11.896 -7.040 457 HD2 ARG 62 2HD ARG 62 -13.085 -9.276 -5.545 458 HD3 ARG 62 1HD ARG 62 -12.421 -9.408 -7.175 459 HE ARG 62 HE ARG 62 -15.052 -10.581 -6.754 460 HH11 ARG 62 2HH1 ARG 62 -13.257 -7.751 -7.878 461 HH12 ARG 62 1HH1 ARG 62 -14.592 -7.140 -8.807 462 HH21 ARG 62 1HH2 ARG 62 -16.751 -9.767 -7.996 463 HH22 ARG 62 2HH2 ARG 62 -16.563 -8.285 -8.866 464 H GLN 63 H GLN 63 -12.404 -13.307 -2.584 465 HA GLN 63 HA GLN 63 -14.570 -13.776 -0.671 466 HB2 GLN 63 2HB GLN 63 -13.571 -15.728 -1.880 467 HB3 GLN 63 1HB GLN 63 -12.005 -15.357 -1.174 468 HG2 GLN 63 2HG GLN 63 -13.052 -17.206 0.027 469 HG3 GLN 63 1HG GLN 63 -12.898 -15.803 1.081 470 HE21 GLN 63 1HE2 GLN 63 -14.555 -16.436 2.468 471 HE22 GLN 63 2HE2 GLN 63 -16.220 -16.440 2.011 472 H GLY 64 H GLY 64 -14.308 -11.935 0.616 473 HA2 GLY 64 2HA GLY 64 -11.821 -11.733 2.239 474 HA3 GLY 64 1HA GLY 64 -12.811 -10.354 1.777 475 H GLY 65 H GLY 65 -14.948 -12.805 2.392 476 HA2 GLY 65 2HA GLY 65 -15.289 -12.073 5.260 477 HA3 GLY 65 1HA GLY 65 -16.630 -12.179 4.125 478 H LEU 66 H LEU 66 -15.105 -13.839 6.502 479 HA LEU 66 HA LEU 66 -14.779 -16.449 5.396 480 HB2 LEU 66 2HB LEU 66 -13.460 -15.478 7.321 481 HB3 LEU 66 1HB LEU 66 -14.888 -15.640 8.328 482 HG LEU 66 HG LEU 66 -14.799 -18.151 7.951 483 HD11 LEU 66 1HD1 LEU 66 -12.114 -17.565 6.658 484 HD12 LEU 66 2HD1 LEU 66 -13.551 -18.173 5.836 485 HD13 LEU 66 3HD1 LEU 66 -12.753 -19.165 7.052 486 HD21 LEU 66 3HD2 LEU 66 -13.879 -17.162 9.993 487 HD22 LEU 66 1HD2 LEU 66 -12.315 -16.936 9.200 488 HD23 LEU 66 2HD2 LEU 66 -12.937 -18.564 9.491 489 H GLU 67 H GLU 67 -16.697 -17.125 4.530 490 HA GLU 67 HA GLU 67 -19.277 -16.781 5.568 491 HB2 GLU 67 2HB GLU 67 -18.374 -18.962 3.650 492 HB3 GLU 67 1HB GLU 67 -20.042 -18.465 3.936 493 HG2 GLU 67 2HG GLU 67 -19.505 -16.212 3.053 494 HG3 GLU 67 1HG GLU 67 -17.855 -16.747 2.716 495 H HIS 68 H HIS 68 -17.351 -19.849 5.580 496 HA HIS 68 HA HIS 68 -19.149 -21.242 7.260 497 HB2 HIS 68 2HB HIS 68 -17.475 -22.983 7.460 498 HB3 HIS 68 1HB HIS 68 -17.510 -22.412 5.811 499 HD1 HIS 68 HD1 HIS 68 -15.214 -23.360 8.355 500 HD2 HIS 68 HD2 HIS 68 -15.215 -20.478 5.359 501 HE1 HIS 68 HE1 HIS 68 -12.811 -22.758 7.993 502 HE2 HIS 68 HE2 HIS 68 -12.831 -21.157 6.053 503 H HIS 69 H HIS 69 -19.724 -20.426 9.116 504 HA HIS 69 HA HIS 69 -17.857 -19.939 11.304 505 HB2 HIS 69 2HB HIS 69 -17.912 -17.709 10.422 506 HB3 HIS 69 1HB HIS 69 -19.628 -17.801 10.054 507 HD1 HIS 69 HD1 HIS 69 -17.399 -17.736 13.181 508 HD2 HIS 69 HD2 HIS 69 -21.155 -16.514 11.887 509 HE1 HIS 69 HE1 HIS 69 -18.423 -16.501 15.109 510 HE2 HIS 69 HE2 HIS 69 -20.707 -15.822 14.318 511 H HIS 70 H HIS 70 -18.708 -21.591 12.443 512 HA HIS 70 HA HIS 70 -21.077 -21.329 13.935 513 HB2 HIS 70 2HB HIS 70 -22.361 -23.313 12.978 514 HB3 HIS 70 1HB HIS 70 -22.335 -21.894 11.944 515 HD1 HIS 70 HD1 HIS 70 -21.359 -22.140 9.637 516 HD2 HIS 70 HD2 HIS 70 -20.709 -25.495 11.992 517 HE1 HIS 70 HE1 HIS 70 -20.427 -23.878 8.091 518 HE2 HIS 70 HE2 HIS 70 -20.145 -25.932 9.515 519 H HIS 71 H HIS 71 -18.237 -21.967 14.287 520 HA HIS 71 HA HIS 71 -18.436 -24.646 15.553 521 HB2 HIS 71 2HB HIS 71 -16.167 -25.196 14.929 522 HB3 HIS 71 1HB HIS 71 -17.029 -24.727 13.475 523 HD1 HIS 71 HD1 HIS 71 -14.310 -23.564 15.800 524 HD2 HIS 71 HD2 HIS 71 -15.924 -22.522 12.123 525 HE1 HIS 71 HE1 HIS 71 -12.707 -21.923 14.795 526 HE2 HIS 71 HE2 HIS 71 -13.614 -21.468 12.497 527 H HIS 72 H HIS 72 -19.016 -22.118 16.747 528 HA HIS 72 HA HIS 72 -18.824 -21.096 18.760 529 HB2 HIS 72 2HB HIS 72 -16.824 -23.305 19.423 530 HB3 HIS 72 1HB HIS 72 -17.467 -22.172 20.602 531 HD1 HIS 72 HD1 HIS 72 -18.041 -25.454 19.230 532 HD2 HIS 72 HD2 HIS 72 -20.414 -22.487 20.908 533 HE1 HIS 72 HE1 HIS 72 -20.156 -26.599 19.937 534 HE2 HIS 72 HE2 HIS 72 -21.639 -24.749 20.774 535 H HIS 73 H HIS 73 -17.322 -20.036 16.627 536 HA HIS 73 HA HIS 73 -15.326 -18.484 18.087 537 HB2 HIS 73 2HB HIS 73 -14.035 -20.471 17.243 538 HB3 HIS 73 1HB HIS 73 -14.507 -20.063 15.599 539 HD1 HIS 73 HD1 HIS 73 -13.502 -17.814 14.628 540 HD2 HIS 73 HD2 HIS 73 -11.828 -19.103 18.195 541 HE1 HIS 73 HE1 HIS 73 -11.333 -16.569 14.847 542 HE2 HIS 73 HE2 HIS 73 -10.438 -17.230 17.096 Start of MODEL 19 1 H1 MET 1 1H MET 1 7.729 10.200 0.335 2 H2 MET 1 2H MET 1 6.162 9.611 0.119 3 H3 MET 1 3H MET 1 6.603 11.101 -0.539 4 HA MET 1 HA MET 1 8.136 10.075 -2.031 5 HB2 MET 1 2HB MET 1 8.280 7.609 -2.180 6 HB3 MET 1 1HB MET 1 8.823 8.198 -0.620 7 HG2 MET 1 2HG MET 1 6.096 6.986 -1.146 8 HG3 MET 1 1HG MET 1 7.479 6.115 -0.483 9 HE1 MET 1 3HE MET 1 8.469 6.494 1.910 10 HE2 MET 1 1HE MET 1 7.978 7.806 2.986 11 HE3 MET 1 2HE MET 1 8.816 8.170 1.475 12 H LEU 2 H LEU 2 7.345 9.879 -4.112 13 HA LEU 2 HA LEU 2 4.460 9.724 -4.469 14 HB2 LEU 2 2HB LEU 2 6.124 11.323 -5.676 15 HB3 LEU 2 1HB LEU 2 6.520 9.958 -6.696 16 HG LEU 2 HG LEU 2 3.692 11.084 -6.440 17 HD11 LEU 2 1HD1 LEU 2 5.154 12.843 -7.305 18 HD12 LEU 2 2HD1 LEU 2 4.068 12.263 -8.564 19 HD13 LEU 2 3HD1 LEU 2 5.761 11.759 -8.561 20 HD21 LEU 2 3HD2 LEU 2 4.886 9.250 -8.552 21 HD22 LEU 2 1HD2 LEU 2 3.244 9.903 -8.554 22 HD23 LEU 2 2HD2 LEU 2 3.742 8.781 -7.292 23 H VAL 3 H VAL 3 3.402 7.889 -4.914 24 HA VAL 3 HA VAL 3 4.743 5.563 -6.116 25 HB VAL 3 HB VAL 3 3.615 4.055 -4.392 26 HG11 VAL 3 1HG1 VAL 3 5.727 5.932 -3.261 27 HG12 VAL 3 2HG1 VAL 3 6.041 4.522 -4.279 28 HG13 VAL 3 3HG1 VAL 3 5.347 4.312 -2.671 29 HG21 VAL 3 3HG2 VAL 3 2.968 5.017 -2.195 30 HG22 VAL 3 1HG2 VAL 3 1.951 5.651 -3.491 31 HG23 VAL 3 2HG2 VAL 3 3.244 6.646 -2.820 32 H THR 4 H THR 4 3.393 4.230 -7.293 33 HA THR 4 HA THR 4 0.872 5.314 -8.181 34 HB THR 4 HB THR 4 2.111 2.621 -8.914 35 HG1 THR 4 HG1 THR 4 3.183 3.703 -10.531 36 HG21 THR 4 3HG2 THR 4 0.819 2.895 -11.011 37 HG22 THR 4 1HG2 THR 4 0.132 4.401 -10.401 38 HG23 THR 4 2HG2 THR 4 -0.255 2.868 -9.613 39 H ILE 5 H ILE 5 -0.778 5.120 -6.708 40 HA ILE 5 HA ILE 5 -1.174 2.596 -5.237 41 HB ILE 5 HB ILE 5 -2.583 5.255 -4.754 42 HG12 ILE 5 2HG1 ILE 5 -0.221 4.183 -3.149 43 HG13 ILE 5 1HG1 ILE 5 -0.018 5.332 -4.469 44 HG21 ILE 5 1HG2 ILE 5 -3.784 3.292 -3.842 45 HG22 ILE 5 2HG2 ILE 5 -3.127 4.277 -2.535 46 HG23 ILE 5 3HG2 ILE 5 -2.321 2.776 -2.992 47 HD11 ILE 5 3HD1 ILE 5 -1.384 6.947 -3.295 48 HD12 ILE 5 1HD1 ILE 5 -0.020 6.410 -2.316 49 HD13 ILE 5 2HD1 ILE 5 -1.638 5.794 -1.979 50 H ASN 6 H ASN 6 -2.285 1.263 -6.530 51 HA ASN 6 HA ASN 6 -4.027 0.235 -7.510 52 HB2 ASN 6 2HB ASN 6 -5.140 0.992 -5.389 53 HB3 ASN 6 1HB ASN 6 -5.695 2.439 -6.215 54 HD21 ASN 6 1HD2 ASN 6 -5.954 -1.080 -6.171 55 HD22 ASN 6 2HD2 ASN 6 -7.515 -1.149 -6.893 56 H GLY 7 H GLY 7 -2.536 1.867 -9.103 57 HA2 GLY 7 2HA GLY 7 -2.673 2.189 -11.419 58 HA3 GLY 7 1HA GLY 7 -4.403 2.455 -11.294 59 H GLU 8 H GLU 8 -3.574 4.377 -8.925 60 HA GLU 8 HA GLU 8 -3.180 6.750 -10.663 61 HB2 GLU 8 2HB GLU 8 -4.771 6.330 -8.104 62 HB3 GLU 8 1HB GLU 8 -4.229 7.943 -8.548 63 HG2 GLU 8 2HG GLU 8 -6.517 7.633 -9.252 64 HG3 GLU 8 1HG GLU 8 -5.485 7.791 -10.669 65 H GLN 9 H GLN 9 -1.161 7.546 -10.523 66 HA GLN 9 HA GLN 9 0.641 7.102 -8.333 67 HB2 GLN 9 2HB GLN 9 0.786 9.119 -10.618 68 HB3 GLN 9 1HB GLN 9 2.106 8.752 -9.511 69 HG2 GLN 9 2HG GLN 9 2.200 6.449 -10.347 70 HG3 GLN 9 1HG GLN 9 0.835 6.762 -11.418 71 HE21 GLN 9 1HE2 GLN 9 1.153 8.091 -13.238 72 HE22 GLN 9 2HE2 GLN 9 2.729 8.425 -13.863 73 H ARG 10 H ARG 10 0.916 8.292 -6.513 74 HA ARG 10 HA ARG 10 0.121 11.084 -6.325 75 HB2 ARG 10 2HB ARG 10 -1.980 9.878 -5.773 76 HB3 ARG 10 1HB ARG 10 -1.143 8.957 -4.526 77 HG2 ARG 10 2HG ARG 10 -0.758 11.020 -3.228 78 HG3 ARG 10 1HG ARG 10 -1.536 11.979 -4.493 79 HD2 ARG 10 2HD ARG 10 -3.054 11.590 -2.593 80 HD3 ARG 10 1HD ARG 10 -3.672 10.828 -4.060 81 HE ARG 10 HE ARG 10 -3.256 8.725 -3.155 82 HH11 ARG 10 2HH1 ARG 10 -2.138 11.192 -0.914 83 HH12 ARG 10 1HH1 ARG 10 -1.995 10.075 0.407 84 HH21 ARG 10 2HH2 ARG 10 -3.066 7.301 -1.411 85 HH22 ARG 10 1HH2 ARG 10 -2.512 7.893 0.124 86 H GLU 11 H GLU 11 1.281 12.183 -4.747 87 HA GLU 11 HA GLU 11 3.520 10.773 -3.538 88 HB2 GLU 11 2HB GLU 11 3.863 13.016 -4.590 89 HB3 GLU 11 1HB GLU 11 2.825 13.735 -3.358 90 HG2 GLU 11 2HG GLU 11 4.409 13.058 -1.595 91 HG3 GLU 11 1HG GLU 11 5.433 12.266 -2.793 92 H VAL 12 H VAL 12 3.598 10.110 -1.486 93 HA VAL 12 HA VAL 12 1.443 10.853 0.406 94 HB VAL 12 HB VAL 12 1.504 8.575 1.318 95 HG11 VAL 12 1HG1 VAL 12 1.148 8.555 -1.701 96 HG12 VAL 12 2HG1 VAL 12 -0.068 9.014 -0.506 97 HG13 VAL 12 3HG1 VAL 12 0.506 7.348 -0.584 98 HG21 VAL 12 3HG2 VAL 12 3.869 7.983 0.904 99 HG22 VAL 12 1HG2 VAL 12 3.563 7.901 -0.834 100 HG23 VAL 12 2HG2 VAL 12 2.801 6.739 0.257 101 H GLN 13 H GLN 13 1.990 10.565 2.648 102 HA GLN 13 HA GLN 13 4.813 11.055 3.377 103 HB2 GLN 13 2HB GLN 13 2.243 11.479 4.974 104 HB3 GLN 13 1HB GLN 13 3.863 11.900 5.524 105 HG2 GLN 13 2HG GLN 13 2.431 13.139 3.150 106 HG3 GLN 13 1HG GLN 13 2.592 13.870 4.745 107 HE21 GLN 13 1HE2 GLN 13 4.281 13.041 1.783 108 HE22 GLN 13 2HE2 GLN 13 5.689 14.001 2.087 109 H SER 14 H SER 14 2.640 8.579 3.068 110 HA SER 14 HA SER 14 2.977 7.009 5.383 111 HB2 SER 14 2HB SER 14 2.278 6.176 2.529 112 HB3 SER 14 1HB SER 14 2.102 5.148 3.958 113 HG SER 14 HG SER 14 0.467 7.116 3.031 114 H ALA 15 H ALA 15 5.097 6.745 6.003 115 HA ALA 15 HA ALA 15 7.163 5.741 4.237 116 HB1 ALA 15 3HB ALA 15 7.100 6.015 7.259 117 HB2 ALA 15 1HB ALA 15 7.710 7.221 6.126 118 HB3 ALA 15 2HB ALA 15 8.534 5.668 6.290 119 H SER 16 H SER 16 4.577 4.347 6.019 120 HA SER 16 HA SER 16 5.632 1.616 5.583 121 HB2 SER 16 2HB SER 16 5.643 2.067 8.005 122 HB3 SER 16 1HB SER 16 3.959 2.594 7.950 123 HG SER 16 HG SER 16 4.975 -0.013 7.437 124 H VAL 17 H VAL 17 4.032 0.036 5.104 125 HA VAL 17 HA VAL 17 2.073 0.880 3.240 126 HB VAL 17 HB VAL 17 2.548 -1.863 4.485 127 HG11 VAL 17 1HG1 VAL 17 1.266 -2.794 2.572 128 HG12 VAL 17 2HG1 VAL 17 0.849 -1.158 2.058 129 HG13 VAL 17 3HG1 VAL 17 0.257 -1.777 3.603 130 HG21 VAL 17 3HG2 VAL 17 3.729 -2.372 2.367 131 HG22 VAL 17 1HG2 VAL 17 4.484 -1.017 3.211 132 HG23 VAL 17 2HG2 VAL 17 3.451 -0.721 1.809 133 H ALA 18 H ALA 18 1.866 -0.227 6.616 134 HA ALA 18 HA ALA 18 -0.959 -0.336 6.857 135 HB1 ALA 18 3HB ALA 18 1.068 0.328 9.017 136 HB2 ALA 18 1HB ALA 18 0.528 -1.289 8.558 137 HB3 ALA 18 2HB ALA 18 -0.611 -0.157 9.283 138 H ALA 19 H ALA 19 1.356 2.300 7.308 139 HA ALA 19 HA ALA 19 -0.311 4.347 8.231 140 HB1 ALA 19 3HB ALA 19 2.135 4.589 6.443 141 HB2 ALA 19 1HB ALA 19 2.144 4.494 8.206 142 HB3 ALA 19 2HB ALA 19 1.428 5.891 7.404 143 H LEU 20 H LEU 20 0.421 3.316 4.906 144 HA LEU 20 HA LEU 20 -1.077 5.298 3.537 145 HB2 LEU 20 2HB LEU 20 0.677 3.832 2.508 146 HB3 LEU 20 1HB LEU 20 -0.438 2.476 2.598 147 HG LEU 20 HG LEU 20 -1.974 3.604 1.014 148 HD11 LEU 20 1HD1 LEU 20 -1.537 5.945 1.611 149 HD12 LEU 20 2HD1 LEU 20 -1.327 5.696 -0.118 150 HD13 LEU 20 3HD1 LEU 20 0.089 5.836 0.927 151 HD21 LEU 20 3HD2 LEU 20 -0.587 3.469 -1.015 152 HD22 LEU 20 1HD2 LEU 20 -0.231 2.135 0.081 153 HD23 LEU 20 2HD2 LEU 20 0.879 3.503 -0.031 154 H MET 21 H MET 21 -1.933 2.024 4.601 155 HA MET 21 HA MET 21 -4.586 2.009 3.543 156 HB2 MET 21 2HB MET 21 -3.507 0.297 5.827 157 HB3 MET 21 1HB MET 21 -4.915 -0.050 4.826 158 HG2 MET 21 2HG MET 21 -2.048 0.029 3.861 159 HG3 MET 21 1HG MET 21 -2.978 -1.426 4.194 160 HE1 MET 21 3HE MET 21 -5.725 -1.265 2.894 161 HE2 MET 21 1HE MET 21 -4.564 -2.551 2.543 162 HE3 MET 21 2HE MET 21 -5.383 -1.716 1.224 163 H THR 22 H THR 22 -3.212 3.249 6.529 164 HA THR 22 HA THR 22 -5.696 3.626 7.927 165 HB THR 22 HB THR 22 -3.031 5.049 8.357 166 HG1 THR 22 HG1 THR 22 -3.369 2.572 8.601 167 HG21 THR 22 3HG2 THR 22 -4.917 6.245 9.455 168 HG22 THR 22 1HG2 THR 22 -3.851 5.495 10.645 169 HG23 THR 22 2HG2 THR 22 -5.401 4.747 10.255 170 H GLU 23 H GLU 23 -3.590 5.725 5.960 171 HA GLU 23 HA GLU 23 -4.929 8.178 6.191 172 HB2 GLU 23 2HB GLU 23 -2.707 8.079 5.196 173 HB3 GLU 23 1HB GLU 23 -3.266 7.008 3.914 174 HG2 GLU 23 2HG GLU 23 -4.708 8.904 3.063 175 HG3 GLU 23 1HG GLU 23 -3.954 9.950 4.265 176 H LEU 24 H LEU 24 -5.308 5.561 3.849 177 HA LEU 24 HA LEU 24 -7.400 6.884 2.333 178 HB2 LEU 24 2HB LEU 24 -6.150 4.120 2.077 179 HB3 LEU 24 1HB LEU 24 -7.239 4.852 0.904 180 HG LEU 24 HG LEU 24 -4.491 5.951 1.641 181 HD11 LEU 24 1HD1 LEU 24 -5.321 4.426 -0.847 182 HD12 LEU 24 2HD1 LEU 24 -4.255 3.846 0.437 183 HD13 LEU 24 3HD1 LEU 24 -3.751 5.196 -0.577 184 HD21 LEU 24 3HD2 LEU 24 -4.794 7.467 -0.291 185 HD22 LEU 24 1HD2 LEU 24 -6.014 7.738 0.949 186 HD23 LEU 24 2HD2 LEU 24 -6.430 6.852 -0.520 187 H ASP 25 H ASP 25 -7.478 5.323 5.214 188 HA ASP 25 HA ASP 25 -8.999 4.311 6.523 189 HB2 ASP 25 2HB ASP 25 -11.057 5.183 4.440 190 HB3 ASP 25 1HB ASP 25 -11.417 4.666 6.085 191 H CYS 26 H CYS 26 -7.671 2.855 4.364 192 HA CYS 26 HA CYS 26 -9.576 0.883 3.333 193 HB2 CYS 26 2HB CYS 26 -7.992 2.115 1.812 194 HB3 CYS 26 1HB CYS 26 -6.644 1.348 2.643 195 HG CYS 26 HG CYS 26 -7.596 -1.265 1.934 196 H THR 27 H THR 27 -8.072 1.110 6.146 197 HA THR 27 HA THR 27 -6.972 -1.628 6.258 198 HB THR 27 HB THR 27 -5.472 0.072 7.175 199 HG1 THR 27 HG1 THR 27 -4.955 -1.122 8.866 200 HG21 THR 27 3HG2 THR 27 -7.664 0.748 9.168 201 HG22 THR 27 1HG2 THR 27 -7.069 1.802 7.882 202 HG23 THR 27 2HG2 THR 27 -6.007 1.357 9.218 203 H ASP 28 H ASP 28 -9.628 0.351 7.222 204 HA ASP 28 HA ASP 28 -10.511 -0.933 9.557 205 HB2 ASP 28 2HB ASP 28 -11.250 1.315 8.941 206 HB3 ASP 28 1HB ASP 28 -12.033 0.710 7.491 207 H GLY 29 H GLY 29 -11.941 -1.194 6.262 208 HA2 GLY 29 2HA GLY 29 -13.625 -3.431 6.992 209 HA3 GLY 29 1HA GLY 29 -13.476 -2.686 5.407 210 H HIS 30 H HIS 30 -13.601 -5.015 4.726 211 HA HIS 30 HA HIS 30 -11.289 -6.727 5.303 212 HB2 HIS 30 2HB HIS 30 -13.733 -7.281 3.563 213 HB3 HIS 30 1HB HIS 30 -12.526 -8.467 4.041 214 HD1 HIS 30 HD1 HIS 30 -13.049 -9.768 6.098 215 HD2 HIS 30 HD2 HIS 30 -15.288 -6.282 5.849 216 HE1 HIS 30 HE1 HIS 30 -14.695 -9.885 7.984 217 HE2 HIS 30 HE2 HIS 30 -15.862 -7.672 7.950 218 H TYR 31 H TYR 31 -10.041 -4.888 4.180 219 HA TYR 31 HA TYR 31 -9.853 -5.287 1.254 220 HB2 TYR 31 2HB TYR 31 -8.624 -3.044 2.916 221 HB3 TYR 31 1HB TYR 31 -8.702 -3.138 1.162 222 HD1 TYR 31 HD1 TYR 31 -11.151 -3.216 0.124 223 HD2 TYR 31 HD2 TYR 31 -10.258 -1.800 4.059 224 HE1 TYR 31 HE1 TYR 31 -13.246 -1.941 0.152 225 HE2 TYR 31 HE2 TYR 31 -12.353 -0.531 4.086 226 HH TYR 31 HH TYR 31 -13.957 0.403 2.569 227 H ALA 32 H ALA 32 -7.606 -5.007 0.443 228 HA ALA 32 HA ALA 32 -5.432 -6.031 2.120 229 HB1 ALA 32 3HB ALA 32 -6.318 -7.381 -0.473 230 HB2 ALA 32 1HB ALA 32 -6.479 -8.055 1.153 231 HB3 ALA 32 2HB ALA 32 -4.876 -7.791 0.464 232 H VAL 33 H VAL 33 -3.377 -6.080 0.689 233 HA VAL 33 HA VAL 33 -3.334 -3.920 -1.313 234 HB VAL 33 HB VAL 33 -2.799 -2.919 0.923 235 HG11 VAL 33 1HG1 VAL 33 -0.734 -3.480 2.116 236 HG12 VAL 33 2HG1 VAL 33 -0.374 -4.746 0.943 237 HG13 VAL 33 3HG1 VAL 33 -1.780 -4.894 1.998 238 HG21 VAL 33 3HG2 VAL 33 -0.452 -2.968 -1.002 239 HG22 VAL 33 1HG2 VAL 33 -0.722 -1.756 0.254 240 HG23 VAL 33 2HG2 VAL 33 -1.855 -1.901 -1.093 241 H ALA 34 H ALA 34 -1.821 -4.222 -2.888 242 HA ALA 34 HA ALA 34 -0.084 -6.626 -2.804 243 HB1 ALA 34 3HB ALA 34 -0.403 -6.808 -5.247 244 HB2 ALA 34 1HB ALA 34 -1.486 -5.412 -5.225 245 HB3 ALA 34 2HB ALA 34 -1.948 -6.904 -4.402 246 H LEU 35 H LEU 35 1.789 -5.708 -2.220 247 HA LEU 35 HA LEU 35 2.814 -3.269 -3.498 248 HB2 LEU 35 2HB LEU 35 3.025 -3.512 -1.047 249 HB3 LEU 35 1HB LEU 35 3.907 -5.016 -1.255 250 HG LEU 35 HG LEU 35 5.772 -3.770 -2.330 251 HD11 LEU 35 1HD1 LEU 35 5.859 -1.328 -2.262 252 HD12 LEU 35 2HD1 LEU 35 4.198 -1.270 -1.665 253 HD13 LEU 35 3HD1 LEU 35 4.539 -1.897 -3.281 254 HD21 LEU 35 3HD2 LEU 35 5.035 -2.680 0.414 255 HD22 LEU 35 1HD2 LEU 35 6.645 -2.675 -0.313 256 HD23 LEU 35 2HD2 LEU 35 5.871 -4.203 0.092 257 H ASN 36 H ASN 36 3.804 -3.531 -5.381 258 HA ASN 36 HA ASN 36 5.089 -4.288 -7.096 259 HB2 ASN 36 2HB ASN 36 6.508 -5.834 -4.875 260 HB3 ASN 36 1HB ASN 36 7.072 -5.790 -6.537 261 HD21 ASN 36 1HD2 ASN 36 5.751 -2.950 -4.834 262 HD22 ASN 36 2HD2 ASN 36 7.245 -2.095 -4.766 263 H TYR 37 H TYR 37 2.606 -5.452 -6.680 264 HA TYR 37 HA TYR 37 1.215 -7.002 -7.530 265 HB2 TYR 37 2HB TYR 37 3.664 -8.598 -8.364 266 HB3 TYR 37 1HB TYR 37 2.008 -9.083 -8.694 267 HD1 TYR 37 HD1 TYR 37 0.608 -7.751 -10.308 268 HD2 TYR 37 HD2 TYR 37 4.756 -6.920 -9.729 269 HE1 TYR 37 HE1 TYR 37 0.655 -6.519 -12.423 270 HE2 TYR 37 HE2 TYR 37 4.799 -5.671 -11.845 271 HH TYR 37 HH TYR 37 1.986 -4.764 -13.502 272 H ASP 38 H ASP 38 3.427 -7.637 -5.047 273 HA ASP 38 HA ASP 38 2.352 -10.295 -4.378 274 HB2 ASP 38 2HB ASP 38 4.684 -8.770 -3.101 275 HB3 ASP 38 1HB ASP 38 4.264 -10.464 -2.840 276 H VAL 39 H VAL 39 0.712 -10.415 -2.929 277 HA VAL 39 HA VAL 39 -0.271 -8.154 -1.534 278 HB VAL 39 HB VAL 39 -1.752 -9.993 -2.313 279 HG11 VAL 39 1HG1 VAL 39 -1.972 -12.095 -1.048 280 HG12 VAL 39 2HG1 VAL 39 -0.596 -11.641 -0.040 281 HG13 VAL 39 3HG1 VAL 39 -0.364 -11.943 -1.761 282 HG21 VAL 39 3HG2 VAL 39 -3.272 -10.040 -0.366 283 HG22 VAL 39 1HG2 VAL 39 -2.582 -8.430 -0.594 284 HG23 VAL 39 2HG2 VAL 39 -1.966 -9.483 0.682 285 H VAL 40 H VAL 40 0.210 -7.382 0.383 286 HA VAL 40 HA VAL 40 2.146 -8.730 2.146 287 HB VAL 40 HB VAL 40 1.096 -5.845 2.193 288 HG11 VAL 40 1HG1 VAL 40 2.981 -5.352 3.712 289 HG12 VAL 40 2HG1 VAL 40 3.425 -7.059 3.736 290 HG13 VAL 40 3HG1 VAL 40 1.880 -6.536 4.417 291 HG21 VAL 40 3HG2 VAL 40 3.747 -6.877 1.110 292 HG22 VAL 40 1HG2 VAL 40 3.269 -5.179 1.229 293 HG23 VAL 40 2HG2 VAL 40 2.397 -6.270 0.148 294 HA PRO 41 HA PRO 41 -1.511 -9.800 4.779 295 HB2 PRO 41 2HB PRO 41 0.663 -10.572 6.722 296 HB3 PRO 41 1HB PRO 41 -0.718 -11.520 6.134 297 HG2 PRO 41 2HG PRO 41 1.747 -12.049 5.283 298 HG3 PRO 41 1HG PRO 41 0.356 -12.159 4.179 299 HD2 PRO 41 2HD PRO 41 2.421 -9.981 4.406 300 HD3 PRO 41 1HD PRO 41 1.678 -10.688 2.951 301 H ARG 42 H ARG 42 -2.399 -8.959 6.789 302 HA ARG 42 HA ARG 42 -1.869 -6.239 7.247 303 HB2 ARG 42 2HB ARG 42 -3.439 -8.156 9.009 304 HB3 ARG 42 1HB ARG 42 -3.472 -6.396 9.135 305 HG2 ARG 42 2HG ARG 42 -4.369 -6.299 6.798 306 HG3 ARG 42 1HG ARG 42 -4.438 -8.064 6.796 307 HD2 ARG 42 2HD ARG 42 -6.019 -8.011 8.678 308 HD3 ARG 42 1HD ARG 42 -5.937 -6.244 8.710 309 HE ARG 42 HE ARG 42 -6.917 -7.768 6.366 310 HH11 ARG 42 2HH1 ARG 42 -7.318 -5.125 8.620 311 HH12 ARG 42 1HH1 ARG 42 -8.731 -4.499 7.821 312 HH21 ARG 42 2HH2 ARG 42 -8.745 -6.932 5.311 313 HH22 ARG 42 1HH2 ARG 42 -9.522 -5.530 5.955 314 H GLY 43 H GLY 43 -0.953 -9.106 9.117 315 HA2 GLY 43 2HA GLY 43 0.371 -7.872 11.275 316 HA3 GLY 43 1HA GLY 43 0.700 -9.478 10.657 317 H LYS 44 H LYS 44 1.325 -8.162 7.953 318 HA LYS 44 HA LYS 44 4.105 -7.374 8.512 319 HB2 LYS 44 2HB LYS 44 2.729 -8.544 6.074 320 HB3 LYS 44 1HB LYS 44 4.243 -7.671 5.884 321 HG2 LYS 44 2HG LYS 44 4.690 -10.047 5.985 322 HG3 LYS 44 1HG LYS 44 5.361 -9.265 7.418 323 HD2 LYS 44 2HD LYS 44 3.386 -10.053 8.730 324 HD3 LYS 44 1HD LYS 44 2.773 -10.874 7.292 325 HE2 LYS 44 2HE LYS 44 4.754 -12.330 7.251 326 HE3 LYS 44 1HE LYS 44 5.445 -11.464 8.625 327 HZ1 LYS 44 3HZ LYS 44 2.947 -13.068 8.654 328 HZ2 LYS 44 1HZ LYS 44 3.575 -12.220 9.976 329 HZ3 LYS 44 2HZ LYS 44 4.429 -13.522 9.323 330 H TRP 45 H TRP 45 1.051 -5.937 7.510 331 HA TRP 45 HA TRP 45 1.792 -3.927 5.718 332 HB2 TRP 45 2HB TRP 45 -0.308 -3.855 7.924 333 HB3 TRP 45 1HB TRP 45 -0.062 -2.484 6.856 334 HD1 TRP 45 HD1 TRP 45 0.299 -5.380 4.684 335 HE1 TRP 45 HE1 TRP 45 -1.901 -5.939 3.507 336 HE3 TRP 45 HE3 TRP 45 -2.927 -2.551 7.486 337 HZ2 TRP 45 HZ2 TRP 45 -4.602 -5.289 3.670 338 HZ3 TRP 45 HZ3 TRP 45 -5.315 -2.585 6.886 339 HH2 TRP 45 HH2 TRP 45 -6.139 -3.922 5.016 340 H ASP 46 H ASP 46 1.877 -3.814 9.248 341 HA ASP 46 HA ASP 46 2.945 -1.206 9.570 342 HB2 ASP 46 2HB ASP 46 3.052 -3.611 11.452 343 HB3 ASP 46 1HB ASP 46 3.402 -1.947 11.915 344 H GLU 47 H GLU 47 4.395 -4.423 9.508 345 HA GLU 47 HA GLU 47 7.067 -3.673 10.139 346 HB2 GLU 47 2HB GLU 47 6.132 -6.236 8.776 347 HB3 GLU 47 1HB GLU 47 7.590 -6.013 9.735 348 HG2 GLU 47 2HG GLU 47 4.734 -6.017 10.746 349 HG3 GLU 47 1HG GLU 47 5.932 -7.284 10.981 350 H THR 48 H THR 48 5.320 -3.426 7.203 351 HA THR 48 HA THR 48 7.717 -3.689 5.489 352 HB THR 48 HB THR 48 4.770 -3.640 4.684 353 HG1 THR 48 HG1 THR 48 5.705 -5.504 5.941 354 HG21 THR 48 3HG2 THR 48 7.221 -4.426 3.055 355 HG22 THR 48 1HG2 THR 48 6.313 -2.920 2.859 356 HG23 THR 48 2HG2 THR 48 5.542 -4.467 2.510 357 HA PRO 49 HA PRO 49 7.391 0.836 5.074 358 HB2 PRO 49 2HB PRO 49 9.694 1.303 3.769 359 HB3 PRO 49 1HB PRO 49 9.716 0.700 5.441 360 HG2 PRO 49 2HG PRO 49 10.107 -0.831 2.888 361 HG3 PRO 49 1HG PRO 49 11.039 -0.912 4.400 362 HD2 PRO 49 2HD PRO 49 9.017 -2.690 3.742 363 HD3 PRO 49 1HD PRO 49 9.530 -2.338 5.407 364 H VAL 50 H VAL 50 7.498 2.430 3.283 365 HA VAL 50 HA VAL 50 6.701 1.400 0.611 366 HB VAL 50 HB VAL 50 5.846 3.976 2.038 367 HG11 VAL 50 1HG1 VAL 50 5.185 3.148 -0.815 368 HG12 VAL 50 2HG1 VAL 50 6.221 4.492 -0.339 369 HG13 VAL 50 3HG1 VAL 50 4.502 4.532 0.044 370 HG21 VAL 50 3HG2 VAL 50 4.604 1.957 2.741 371 HG22 VAL 50 1HG2 VAL 50 4.163 1.640 1.061 372 HG23 VAL 50 2HG2 VAL 50 3.561 3.087 1.876 373 H THR 51 H THR 51 8.041 1.927 -1.008 374 HA THR 51 HA THR 51 10.237 3.874 -0.607 375 HB THR 51 HB THR 51 10.110 1.508 -2.556 376 HG1 THR 51 HG1 THR 51 10.211 0.749 -0.440 377 HG21 THR 51 3HG2 THR 51 12.494 3.196 -1.702 378 HG22 THR 51 1HG2 THR 51 11.674 3.309 -3.269 379 HG23 THR 51 2HG2 THR 51 12.527 1.831 -2.818 380 H ALA 52 H ALA 52 10.589 5.432 -2.254 381 HA ALA 52 HA ALA 52 8.436 6.367 -3.760 382 HB1 ALA 52 3HB ALA 52 10.307 7.778 -3.035 383 HB2 ALA 52 1HB ALA 52 10.068 7.903 -4.781 384 HB3 ALA 52 2HB ALA 52 11.397 6.933 -4.140 385 H GLY 53 H GLY 53 7.535 5.574 -5.569 386 HA2 GLY 53 2HA GLY 53 7.701 5.046 -7.915 387 HA3 GLY 53 1HA GLY 53 9.212 4.210 -7.612 388 H ASP 54 H ASP 54 7.180 3.287 -5.130 389 HA ASP 54 HA ASP 54 6.871 0.651 -6.152 390 HB2 ASP 54 2HB ASP 54 5.977 2.015 -3.604 391 HB3 ASP 54 1HB ASP 54 5.363 0.408 -3.983 392 H GLU 55 H GLU 55 5.300 -0.253 -7.266 393 HA GLU 55 HA GLU 55 2.737 1.026 -7.765 394 HB2 GLU 55 2HB GLU 55 3.963 -0.257 -9.549 395 HB3 GLU 55 1HB GLU 55 3.751 -1.729 -8.613 396 HG2 GLU 55 2HG GLU 55 1.276 -1.447 -8.836 397 HG3 GLU 55 1HG GLU 55 1.561 -0.059 -9.888 398 H ILE 56 H ILE 56 1.750 1.085 -5.801 399 HA ILE 56 HA ILE 56 1.320 -1.352 -4.192 400 HB ILE 56 HB ILE 56 0.665 1.575 -3.530 401 HG12 ILE 56 2HG1 ILE 56 3.126 -0.027 -2.710 402 HG13 ILE 56 1HG1 ILE 56 3.115 1.315 -3.841 403 HG21 ILE 56 1HG2 ILE 56 -0.646 -0.027 -2.210 404 HG22 ILE 56 2HG2 ILE 56 0.528 0.794 -1.183 405 HG23 ILE 56 3HG2 ILE 56 0.830 -0.860 -1.714 406 HD11 ILE 56 3HD1 ILE 56 2.476 2.828 -2.025 407 HD12 ILE 56 1HD1 ILE 56 3.978 1.970 -1.682 408 HD13 ILE 56 2HD1 ILE 56 2.483 1.468 -0.897 409 H GLU 57 H GLU 57 -0.391 -2.384 -5.344 410 HA GLU 57 HA GLU 57 -2.762 -0.785 -6.063 411 HB2 GLU 57 2HB GLU 57 -1.877 -2.236 -7.827 412 HB3 GLU 57 1HB GLU 57 -2.016 -3.651 -6.785 413 HG2 GLU 57 2HG GLU 57 -4.443 -3.484 -6.783 414 HG3 GLU 57 1HG GLU 57 -4.388 -1.963 -7.674 415 H ILE 58 H ILE 58 -4.425 -0.725 -4.670 416 HA ILE 58 HA ILE 58 -4.627 -2.523 -2.426 417 HB ILE 58 HB ILE 58 -6.553 -0.381 -3.441 418 HG12 ILE 58 2HG1 ILE 58 -4.563 -0.295 -1.124 419 HG13 ILE 58 1HG1 ILE 58 -4.340 0.511 -2.673 420 HG21 ILE 58 1HG2 ILE 58 -7.704 -0.556 -1.258 421 HG22 ILE 58 2HG2 ILE 58 -6.632 -1.875 -0.786 422 HG23 ILE 58 3HG2 ILE 58 -7.768 -2.096 -2.117 423 HD11 ILE 58 3HD1 ILE 58 -5.028 2.084 -1.014 424 HD12 ILE 58 1HD1 ILE 58 -6.441 1.116 -0.605 425 HD13 ILE 58 2HD1 ILE 58 -6.329 1.891 -2.189 426 H LEU 59 H LEU 59 -5.556 -4.442 -2.532 427 HA LEU 59 HA LEU 59 -7.560 -5.073 -4.623 428 HB2 LEU 59 2HB LEU 59 -5.513 -6.835 -3.218 429 HB3 LEU 59 1HB LEU 59 -6.845 -7.493 -4.158 430 HG LEU 59 HG LEU 59 -4.644 -5.690 -5.259 431 HD11 LEU 59 1HD1 LEU 59 -3.782 -7.934 -4.771 432 HD12 LEU 59 2HD1 LEU 59 -3.883 -7.670 -6.510 433 HD13 LEU 59 3HD1 LEU 59 -5.097 -8.665 -5.700 434 HD21 LEU 59 3HD2 LEU 59 -6.736 -5.280 -6.440 435 HD22 LEU 59 1HD2 LEU 59 -6.990 -7.015 -6.674 436 HD23 LEU 59 2HD2 LEU 59 -5.649 -6.192 -7.483 437 H THR 60 H THR 60 -9.497 -5.933 -3.995 438 HA THR 60 HA THR 60 -9.910 -6.496 -1.113 439 HB THR 60 HB THR 60 -12.079 -5.652 -3.100 440 HG1 THR 60 HG1 THR 60 -10.262 -4.079 -2.387 441 HG21 THR 60 3HG2 THR 60 -12.037 -5.742 -0.056 442 HG22 THR 60 1HG2 THR 60 -12.891 -6.880 -1.107 443 HG23 THR 60 2HG2 THR 60 -13.385 -5.190 -1.052 444 HA PRO 61 HA PRO 61 -9.732 -10.319 -3.623 445 HB2 PRO 61 2HB PRO 61 -8.863 -12.046 -1.682 446 HB3 PRO 61 1HB PRO 61 -7.799 -10.839 -2.425 447 HG2 PRO 61 2HG PRO 61 -9.212 -10.725 0.212 448 HG3 PRO 61 1HG PRO 61 -7.539 -10.272 -0.190 449 HD2 PRO 61 2HD PRO 61 -9.553 -8.433 0.045 450 HD3 PRO 61 1HD PRO 61 -8.155 -8.201 -1.025 451 H ARG 62 H ARG 62 -10.710 -12.562 -3.504 452 HA ARG 62 HA ARG 62 -13.504 -12.303 -3.147 453 HB2 ARG 62 2HB ARG 62 -11.843 -14.795 -3.722 454 HB3 ARG 62 1HB ARG 62 -13.604 -14.716 -3.821 455 HG2 ARG 62 2HG ARG 62 -13.314 -12.871 -5.558 456 HG3 ARG 62 1HG ARG 62 -11.591 -13.256 -5.563 457 HD2 ARG 62 2HD ARG 62 -12.070 -15.534 -6.307 458 HD3 ARG 62 1HD ARG 62 -13.809 -15.234 -6.195 459 HE ARG 62 HE ARG 62 -11.975 -13.940 -8.129 460 HH11 ARG 62 2HH1 ARG 62 -15.208 -15.090 -7.332 461 HH12 ARG 62 1HH1 ARG 62 -15.850 -14.695 -8.896 462 HH21 ARG 62 2HH2 ARG 62 -12.839 -13.424 -10.158 463 HH22 ARG 62 1HH2 ARG 62 -14.517 -13.756 -10.491 464 H GLN 63 H GLN 63 -14.006 -11.869 -1.089 465 HA GLN 63 HA GLN 63 -14.562 -13.651 0.927 466 HB2 GLN 63 2HB GLN 63 -12.080 -13.994 1.149 467 HB3 GLN 63 1HB GLN 63 -11.854 -12.268 1.383 468 HG2 GLN 63 2HG GLN 63 -11.687 -13.295 3.526 469 HG3 GLN 63 1HG GLN 63 -13.232 -12.455 3.490 470 HE21 GLN 63 1HE2 GLN 63 -12.358 -14.651 5.204 471 HE22 GLN 63 2HE2 GLN 63 -13.488 -15.934 4.975 472 H GLY 64 H GLY 64 -12.807 -10.543 0.802 473 HA2 GLY 64 2HA GLY 64 -15.076 -9.086 1.993 474 HA3 GLY 64 1HA GLY 64 -13.461 -8.459 1.679 475 H GLY 65 H GLY 65 -13.877 -9.899 -1.086 476 HA2 GLY 65 2HA GLY 65 -14.701 -7.469 -2.489 477 HA3 GLY 65 1HA GLY 65 -13.970 -8.903 -3.192 478 H LEU 66 H LEU 66 -16.549 -9.619 -1.123 479 HA LEU 66 HA LEU 66 -18.412 -10.218 -3.285 480 HB2 LEU 66 2HB LEU 66 -18.520 -10.747 -0.276 481 HB3 LEU 66 1HB LEU 66 -19.689 -11.339 -1.449 482 HG LEU 66 HG LEU 66 -16.746 -12.135 -1.343 483 HD11 LEU 66 1HD1 LEU 66 -18.005 -13.089 0.532 484 HD12 LEU 66 2HD1 LEU 66 -17.537 -14.342 -0.610 485 HD13 LEU 66 3HD1 LEU 66 -19.202 -13.754 -0.582 486 HD21 LEU 66 3HD2 LEU 66 -17.321 -13.824 -3.045 487 HD22 LEU 66 1HD2 LEU 66 -17.576 -12.186 -3.644 488 HD23 LEU 66 2HD2 LEU 66 -18.958 -13.169 -3.152 489 H GLU 67 H GLU 67 -19.264 -8.266 -3.922 490 HA GLU 67 HA GLU 67 -20.013 -6.111 -2.283 491 HB2 GLU 67 2HB GLU 67 -21.095 -6.796 -5.054 492 HB3 GLU 67 1HB GLU 67 -21.202 -5.225 -4.263 493 HG2 GLU 67 2HG GLU 67 -18.791 -4.945 -4.364 494 HG3 GLU 67 1HG GLU 67 -18.588 -6.581 -4.989 495 H HIS 68 H HIS 68 -21.089 -7.154 -0.577 496 HA HIS 68 HA HIS 68 -23.993 -7.100 -0.799 497 HB2 HIS 68 2HB HIS 68 -23.356 -9.528 -1.105 498 HB3 HIS 68 1HB HIS 68 -22.529 -9.493 0.447 499 HD1 HIS 68 HD1 HIS 68 -23.930 -10.273 2.373 500 HD2 HIS 68 HD2 HIS 68 -26.283 -8.956 -0.790 501 HE1 HIS 68 HE1 HIS 68 -26.298 -10.797 3.034 502 HE2 HIS 68 HE2 HIS 68 -27.710 -9.875 1.167 503 H HIS 69 H HIS 69 -24.914 -6.545 1.314 504 HA HIS 69 HA HIS 69 -23.294 -4.598 2.551 505 HB2 HIS 69 2HB HIS 69 -26.066 -5.621 3.247 506 HB3 HIS 69 1HB HIS 69 -25.294 -4.320 4.150 507 HD1 HIS 69 HD1 HIS 69 -27.631 -4.706 1.542 508 HD2 HIS 69 HD2 HIS 69 -24.362 -2.195 2.100 509 HE1 HIS 69 HE1 HIS 69 -28.034 -2.737 0.042 510 HE2 HIS 69 HE2 HIS 69 -26.060 -1.221 0.406 511 H HIS 70 H HIS 70 -21.493 -5.683 3.346 512 HA HIS 70 HA HIS 70 -21.620 -7.176 5.856 513 HB2 HIS 70 2HB HIS 70 -19.279 -6.018 4.263 514 HB3 HIS 70 1HB HIS 70 -19.092 -6.946 5.744 515 HD1 HIS 70 HD1 HIS 70 -19.692 -7.324 2.088 516 HD2 HIS 70 HD2 HIS 70 -19.597 -9.740 5.468 517 HE1 HIS 70 HE1 HIS 70 -19.538 -9.669 1.229 518 HE2 HIS 70 HE2 HIS 70 -19.693 -11.112 3.278 519 H HIS 71 H HIS 71 -21.411 -3.910 4.706 520 HA HIS 71 HA HIS 71 -21.096 -2.798 7.418 521 HB2 HIS 71 2HB HIS 71 -19.435 -1.980 4.988 522 HB3 HIS 71 1HB HIS 71 -19.519 -1.044 6.479 523 HD1 HIS 71 HD1 HIS 71 -17.315 -3.257 4.912 524 HD2 HIS 71 HD2 HIS 71 -18.790 -2.981 8.791 525 HE1 HIS 71 HE1 HIS 71 -15.648 -4.460 6.352 526 HE2 HIS 71 HE2 HIS 71 -16.451 -4.076 8.700 527 H HIS 72 H HIS 72 -22.123 -0.873 7.768 528 HA HIS 72 HA HIS 72 -23.034 1.027 5.931 529 HB2 HIS 72 2HB HIS 72 -24.678 -0.683 5.195 530 HB3 HIS 72 1HB HIS 72 -25.237 -0.891 6.848 531 HD1 HIS 72 HD1 HIS 72 -25.328 1.603 3.994 532 HD2 HIS 72 HD2 HIS 72 -27.197 0.918 7.644 533 HE1 HIS 72 HE1 HIS 72 -27.265 3.200 4.070 534 HE2 HIS 72 HE2 HIS 72 -28.323 2.832 6.318 535 H HIS 73 H HIS 73 -23.789 -0.657 8.953 536 HA HIS 73 HA HIS 73 -24.244 -0.082 11.056 537 HB2 HIS 73 2HB HIS 73 -22.137 1.194 11.001 538 HB3 HIS 73 1HB HIS 73 -22.972 2.593 10.336 539 HD1 HIS 73 HD1 HIS 73 -22.644 0.608 13.551 540 HD2 HIS 73 HD2 HIS 73 -24.172 4.243 12.226 541 HE1 HIS 73 HE1 HIS 73 -23.234 1.894 15.630 542 HE2 HIS 73 HE2 HIS 73 -24.210 4.064 14.801 Start of MODEL 20 1 H1 MET 1 1H MET 1 5.176 11.291 -0.715 2 H2 MET 1 2H MET 1 6.236 11.993 -1.830 3 H3 MET 1 3H MET 1 6.791 11.564 -0.295 4 HA MET 1 HA MET 1 7.537 10.009 -1.940 5 HB2 MET 1 2HB MET 1 7.116 9.247 0.379 6 HB3 MET 1 1HB MET 1 5.450 8.877 -0.030 7 HG2 MET 1 2HG MET 1 6.210 7.117 -1.571 8 HG3 MET 1 1HG MET 1 7.890 7.493 -1.176 9 HE1 MET 1 3HE MET 1 8.016 6.441 2.626 10 HE2 MET 1 1HE MET 1 7.569 8.050 2.057 11 HE3 MET 1 2HE MET 1 8.902 7.183 1.292 12 H LEU 2 H LEU 2 6.972 10.106 -4.053 13 HA LEU 2 HA LEU 2 4.264 9.789 -5.026 14 HB2 LEU 2 2HB LEU 2 5.862 11.341 -6.114 15 HB3 LEU 2 1HB LEU 2 6.921 9.994 -6.499 16 HG LEU 2 HG LEU 2 5.058 9.040 -7.958 17 HD11 LEU 2 1HD1 LEU 2 3.235 10.500 -8.663 18 HD12 LEU 2 2HD1 LEU 2 3.748 11.728 -7.499 19 HD13 LEU 2 3HD1 LEU 2 3.158 10.161 -6.933 20 HD21 LEU 2 3HD2 LEU 2 6.099 11.775 -8.741 21 HD22 LEU 2 1HD2 LEU 2 5.470 10.542 -9.842 22 HD23 LEU 2 2HD2 LEU 2 6.948 10.237 -8.932 23 H VAL 3 H VAL 3 3.485 7.784 -4.808 24 HA VAL 3 HA VAL 3 4.902 5.496 -6.061 25 HB VAL 3 HB VAL 3 3.686 3.975 -4.446 26 HG11 VAL 3 1HG1 VAL 3 5.190 4.336 -2.543 27 HG12 VAL 3 2HG1 VAL 3 5.566 5.959 -3.129 28 HG13 VAL 3 3HG1 VAL 3 6.043 4.544 -4.073 29 HG21 VAL 3 3HG2 VAL 3 1.865 5.504 -3.761 30 HG22 VAL 3 1HG2 VAL 3 3.030 6.534 -2.926 31 HG23 VAL 3 2HG2 VAL 3 2.735 4.886 -2.357 32 H THR 4 H THR 4 3.714 4.291 -7.483 33 HA THR 4 HA THR 4 1.214 5.332 -8.477 34 HB THR 4 HB THR 4 2.775 2.820 -9.241 35 HG1 THR 4 HG1 THR 4 2.662 5.304 -10.623 36 HG21 THR 4 3HG2 THR 4 1.480 2.876 -11.349 37 HG22 THR 4 1HG2 THR 4 0.552 4.250 -10.755 38 HG23 THR 4 2HG2 THR 4 0.401 2.677 -9.965 39 H ILE 5 H ILE 5 -0.444 5.037 -7.011 40 HA ILE 5 HA ILE 5 -0.911 2.388 -5.834 41 HB ILE 5 HB ILE 5 -2.339 5.003 -5.195 42 HG12 ILE 5 2HG1 ILE 5 -0.149 3.519 -3.668 43 HG13 ILE 5 1HG1 ILE 5 0.038 5.059 -4.501 44 HG21 ILE 5 1HG2 ILE 5 -3.760 3.023 -4.752 45 HG22 ILE 5 2HG2 ILE 5 -3.263 3.784 -3.242 46 HG23 ILE 5 3HG2 ILE 5 -2.472 2.300 -3.782 47 HD11 ILE 5 3HD1 ILE 5 -1.500 6.106 -2.911 48 HD12 ILE 5 1HD1 ILE 5 -0.119 5.367 -2.105 49 HD13 ILE 5 2HD1 ILE 5 -1.689 4.566 -2.068 50 H ASN 6 H ASN 6 -2.084 1.077 -7.019 51 HA ASN 6 HA ASN 6 -3.658 0.087 -8.247 52 HB2 ASN 6 2HB ASN 6 -5.033 1.202 -6.359 53 HB3 ASN 6 1HB ASN 6 -5.530 2.384 -7.564 54 HD21 ASN 6 1HD2 ASN 6 -7.687 1.802 -7.510 55 HD22 ASN 6 2HD2 ASN 6 -8.280 0.288 -8.088 56 H GLY 7 H GLY 7 -1.845 1.748 -9.593 57 HA2 GLY 7 2HA GLY 7 -1.510 2.055 -11.873 58 HA3 GLY 7 1HA GLY 7 -3.243 2.076 -12.140 59 H GLU 8 H GLU 8 -2.807 4.167 -9.647 60 HA GLU 8 HA GLU 8 -2.530 6.512 -11.446 61 HB2 GLU 8 2HB GLU 8 -4.081 6.113 -8.852 62 HB3 GLU 8 1HB GLU 8 -3.660 7.720 -9.413 63 HG2 GLU 8 2HG GLU 8 -5.906 7.328 -10.077 64 HG3 GLU 8 1HG GLU 8 -4.914 7.266 -11.529 65 H GLN 9 H GLN 9 -0.839 7.869 -11.148 66 HA GLN 9 HA GLN 9 1.204 7.423 -9.184 67 HB2 GLN 9 2HB GLN 9 0.749 9.612 -11.249 68 HB3 GLN 9 1HB GLN 9 2.060 9.730 -10.084 69 HG2 GLN 9 2HG GLN 9 2.901 8.867 -12.200 70 HG3 GLN 9 1HG GLN 9 3.032 7.635 -10.946 71 HE21 GLN 9 1HE2 GLN 9 1.352 8.566 -13.890 72 HE22 GLN 9 2HE2 GLN 9 0.686 7.006 -14.215 73 H ARG 10 H ARG 10 0.729 7.790 -7.101 74 HA ARG 10 HA ARG 10 -0.765 10.216 -6.304 75 HB2 ARG 10 2HB ARG 10 -2.149 8.137 -6.098 76 HB3 ARG 10 1HB ARG 10 -0.941 7.457 -5.012 77 HG2 ARG 10 2HG ARG 10 -1.399 9.188 -3.341 78 HG3 ARG 10 1HG ARG 10 -2.505 10.003 -4.450 79 HD2 ARG 10 2HD ARG 10 -3.957 7.976 -4.422 80 HD3 ARG 10 1HD ARG 10 -2.882 7.259 -3.219 81 HE ARG 10 HE ARG 10 -3.506 9.533 -2.008 82 HH11 ARG 10 2HH1 ARG 10 -5.637 7.295 -3.667 83 HH12 ARG 10 1HH1 ARG 10 -7.011 7.662 -2.674 84 HH21 ARG 10 1HH2 ARG 10 -5.311 9.968 -0.665 85 HH22 ARG 10 2HH2 ARG 10 -6.821 9.179 -0.976 86 H GLU 11 H GLU 11 0.363 11.514 -5.018 87 HA GLU 11 HA GLU 11 2.863 10.622 -3.785 88 HB2 GLU 11 2HB GLU 11 2.681 12.779 -5.130 89 HB3 GLU 11 1HB GLU 11 1.691 13.444 -3.841 90 HG2 GLU 11 2HG GLU 11 4.483 12.395 -3.298 91 HG3 GLU 11 1HG GLU 11 4.242 14.023 -3.914 92 H VAL 12 H VAL 12 2.492 9.555 -1.967 93 HA VAL 12 HA VAL 12 0.659 10.644 0.091 94 HB VAL 12 HB VAL 12 0.717 8.412 1.176 95 HG11 VAL 12 1HG1 VAL 12 -0.027 8.243 -1.768 96 HG12 VAL 12 2HG1 VAL 12 -1.050 8.871 -0.475 97 HG13 VAL 12 3HG1 VAL 12 -0.602 7.164 -0.492 98 HG21 VAL 12 3HG2 VAL 12 2.452 7.540 -1.172 99 HG22 VAL 12 1HG2 VAL 12 1.756 6.457 0.040 100 HG23 VAL 12 2HG2 VAL 12 2.961 7.655 0.513 101 H GLN 13 H GLN 13 1.429 10.483 2.344 102 HA GLN 13 HA GLN 13 4.300 11.175 2.575 103 HB2 GLN 13 2HB GLN 13 1.987 11.902 4.425 104 HB3 GLN 13 1HB GLN 13 3.654 12.456 4.593 105 HG2 GLN 13 2HG GLN 13 3.434 13.619 2.386 106 HG3 GLN 13 1HG GLN 13 1.740 13.138 2.334 107 HE21 GLN 13 1HE2 GLN 13 0.278 14.131 3.760 108 HE22 GLN 13 2HE2 GLN 13 0.652 15.595 4.585 109 H SER 14 H SER 14 2.316 8.623 3.054 110 HA SER 14 HA SER 14 3.126 7.684 5.647 111 HB2 SER 14 2HB SER 14 1.939 5.568 4.863 112 HB3 SER 14 1HB SER 14 0.951 7.027 4.819 113 HG SER 14 HG SER 14 2.358 5.991 2.585 114 H ALA 15 H ALA 15 5.106 6.960 6.028 115 HA ALA 15 HA ALA 15 6.771 5.630 4.013 116 HB1 ALA 15 3HB ALA 15 7.387 6.411 6.883 117 HB2 ALA 15 1HB ALA 15 7.811 7.319 5.432 118 HB3 ALA 15 2HB ALA 15 8.542 5.743 5.722 119 H SER 16 H SER 16 4.365 4.633 5.986 120 HA SER 16 HA SER 16 5.416 1.861 6.204 121 HB2 SER 16 2HB SER 16 5.137 2.852 8.463 122 HB3 SER 16 1HB SER 16 3.470 3.281 8.089 123 HG SER 16 HG SER 16 3.669 1.327 9.300 124 H VAL 17 H VAL 17 4.053 0.246 5.500 125 HA VAL 17 HA VAL 17 1.932 0.929 3.703 126 HB VAL 17 HB VAL 17 2.962 -1.773 4.682 127 HG11 VAL 17 1HG1 VAL 17 1.636 -2.842 2.876 128 HG12 VAL 17 2HG1 VAL 17 0.867 -1.291 2.529 129 HG13 VAL 17 3HG1 VAL 17 0.595 -2.083 4.083 130 HG21 VAL 17 3HG2 VAL 17 3.897 -1.951 2.397 131 HG22 VAL 17 1HG2 VAL 17 4.510 -0.522 3.236 132 HG23 VAL 17 2HG2 VAL 17 3.251 -0.354 2.009 133 H ALA 18 H ALA 18 2.076 -0.144 7.078 134 HA ALA 18 HA ALA 18 -0.660 -0.642 7.524 135 HB1 ALA 18 3HB ALA 18 -0.159 -0.145 9.901 136 HB2 ALA 18 1HB ALA 18 1.420 0.481 9.426 137 HB3 ALA 18 2HB ALA 18 1.031 -1.222 9.172 138 H ALA 19 H ALA 19 1.229 2.360 8.019 139 HA ALA 19 HA ALA 19 -1.001 4.030 8.583 140 HB1 ALA 19 3HB ALA 19 0.599 5.877 8.398 141 HB2 ALA 19 1HB ALA 19 1.787 4.795 7.669 142 HB3 ALA 19 2HB ALA 19 1.275 4.548 9.343 143 H LEU 20 H LEU 20 0.495 2.998 5.595 144 HA LEU 20 HA LEU 20 -0.584 4.866 3.775 145 HB2 LEU 20 2HB LEU 20 1.143 3.229 3.138 146 HB3 LEU 20 1HB LEU 20 0.039 1.905 3.445 147 HG LEU 20 HG LEU 20 -1.396 2.754 1.511 148 HD11 LEU 20 1HD1 LEU 20 -0.631 5.059 1.422 149 HD12 LEU 20 2HD1 LEU 20 -0.369 4.262 -0.126 150 HD13 LEU 20 3HD1 LEU 20 0.992 4.531 0.966 151 HD21 LEU 20 3HD2 LEU 20 0.121 0.841 1.251 152 HD22 LEU 20 1HD2 LEU 20 1.438 1.935 0.812 153 HD23 LEU 20 2HD2 LEU 20 0.020 1.790 -0.231 154 H MET 21 H MET 21 -1.745 1.628 4.711 155 HA MET 21 HA MET 21 -4.253 1.775 3.432 156 HB2 MET 21 2HB MET 21 -3.295 0.015 5.727 157 HB3 MET 21 1HB MET 21 -4.790 -0.247 4.827 158 HG2 MET 21 2HG MET 21 -2.026 -0.271 3.581 159 HG3 MET 21 1HG MET 21 -2.903 -1.712 4.097 160 HE1 MET 21 3HE MET 21 -4.809 -2.837 2.765 161 HE2 MET 21 1HE MET 21 -5.799 -2.000 1.571 162 HE3 MET 21 2HE MET 21 -5.817 -1.474 3.255 163 H THR 22 H THR 22 -3.180 2.748 6.668 164 HA THR 22 HA THR 22 -5.729 3.115 7.877 165 HB THR 22 HB THR 22 -3.104 4.523 8.562 166 HG1 THR 22 HG1 THR 22 -3.436 2.061 8.683 167 HG21 THR 22 3HG2 THR 22 -4.091 4.890 10.807 168 HG22 THR 22 1HG2 THR 22 -5.600 4.158 10.272 169 HG23 THR 22 2HG2 THR 22 -5.071 5.689 9.570 170 H GLU 23 H GLU 23 -3.541 5.253 6.106 171 HA GLU 23 HA GLU 23 -5.006 7.675 6.463 172 HB2 GLU 23 2HB GLU 23 -2.494 7.363 5.915 173 HB3 GLU 23 1HB GLU 23 -2.990 7.073 4.254 174 HG2 GLU 23 2HG GLU 23 -2.306 9.363 4.420 175 HG3 GLU 23 1HG GLU 23 -4.062 9.344 4.240 176 H LEU 24 H LEU 24 -5.005 5.101 4.078 177 HA LEU 24 HA LEU 24 -6.886 6.456 2.295 178 HB2 LEU 24 2HB LEU 24 -5.672 3.678 2.069 179 HB3 LEU 24 1HB LEU 24 -6.549 4.538 0.810 180 HG LEU 24 HG LEU 24 -3.816 5.289 1.932 181 HD11 LEU 24 1HD1 LEU 24 -4.542 4.238 -0.808 182 HD12 LEU 24 2HD1 LEU 24 -3.727 3.346 0.483 183 HD13 LEU 24 3HD1 LEU 24 -2.932 4.730 -0.261 184 HD21 LEU 24 3HD2 LEU 24 -3.714 7.041 0.241 185 HD22 LEU 24 1HD2 LEU 24 -5.038 7.318 1.365 186 HD23 LEU 24 2HD2 LEU 24 -5.375 6.693 -0.253 187 H ASP 25 H ASP 25 -7.114 4.722 5.112 188 HA ASP 25 HA ASP 25 -8.829 3.994 6.361 189 HB2 ASP 25 2HB ASP 25 -10.525 5.251 4.170 190 HB3 ASP 25 1HB ASP 25 -11.176 4.669 5.695 191 H CYS 26 H CYS 26 -7.670 2.118 4.701 192 HA CYS 26 HA CYS 26 -9.815 0.163 4.166 193 HB2 CYS 26 2HB CYS 26 -7.056 0.357 2.875 194 HB3 CYS 26 1HB CYS 26 -8.301 -0.834 2.490 195 HG CYS 26 HG CYS 26 -9.163 2.396 2.193 196 H THR 27 H THR 27 -8.335 0.794 6.708 197 HA THR 27 HA THR 27 -6.923 -1.742 7.266 198 HB THR 27 HB THR 27 -6.619 -0.547 9.609 199 HG1 THR 27 HG1 THR 27 -8.150 1.172 8.987 200 HG21 THR 27 3HG2 THR 27 -5.167 0.547 7.182 201 HG22 THR 27 1HG2 THR 27 -4.754 -0.938 8.040 202 HG23 THR 27 2HG2 THR 27 -4.601 0.623 8.851 203 H ASP 28 H ASP 28 -9.930 -1.320 6.864 204 HA ASP 28 HA ASP 28 -11.343 -1.714 9.265 205 HB2 ASP 28 2HB ASP 28 -12.032 -2.750 6.476 206 HB3 ASP 28 1HB ASP 28 -13.164 -2.609 7.820 207 H GLY 29 H GLY 29 -9.721 -3.991 7.088 208 HA2 GLY 29 2HA GLY 29 -8.682 -5.871 8.488 209 HA3 GLY 29 1HA GLY 29 -10.349 -6.292 8.852 210 H HIS 30 H HIS 30 -11.676 -6.113 6.585 211 HA HIS 30 HA HIS 30 -10.770 -8.444 5.128 212 HB2 HIS 30 2HB HIS 30 -13.278 -6.740 4.837 213 HB3 HIS 30 1HB HIS 30 -12.967 -8.191 3.888 214 HD1 HIS 30 HD1 HIS 30 -14.710 -7.163 6.829 215 HD2 HIS 30 HD2 HIS 30 -12.533 -10.536 5.758 216 HE1 HIS 30 HE1 HIS 30 -15.427 -8.966 8.416 217 HE2 HIS 30 HE2 HIS 30 -13.942 -10.911 7.882 218 H TYR 31 H TYR 31 -9.568 -5.530 4.773 219 HA TYR 31 HA TYR 31 -9.475 -5.555 1.815 220 HB2 TYR 31 2HB TYR 31 -8.703 -3.358 3.786 221 HB3 TYR 31 1HB TYR 31 -8.502 -3.252 2.040 222 HD1 TYR 31 HD2 TYR 31 -10.972 -3.251 4.795 223 HD2 TYR 31 HD1 TYR 31 -10.427 -2.909 0.569 224 HE1 TYR 31 HE2 TYR 31 -13.263 -2.415 4.566 225 HE2 TYR 31 HE1 TYR 31 -12.725 -2.070 0.346 226 HH TYR 31 HH TYR 31 -14.541 -0.997 2.948 227 H ALA 32 H ALA 32 -7.472 -5.448 0.813 228 HA ALA 32 HA ALA 32 -5.092 -6.237 2.367 229 HB1 ALA 32 3HB ALA 32 -6.022 -7.374 -0.295 230 HB2 ALA 32 1HB ALA 32 -6.037 -8.222 1.253 231 HB3 ALA 32 2HB ALA 32 -4.501 -7.766 0.515 232 H VAL 33 H VAL 33 -3.137 -5.892 1.083 233 HA VAL 33 HA VAL 33 -3.259 -3.681 -0.877 234 HB VAL 33 HB VAL 33 -2.713 -2.764 1.375 235 HG11 VAL 33 1HG1 VAL 33 -0.673 -3.359 2.566 236 HG12 VAL 33 2HG1 VAL 33 -0.276 -4.564 1.341 237 HG13 VAL 33 3HG1 VAL 33 -1.701 -4.776 2.362 238 HG21 VAL 33 3HG2 VAL 33 -0.335 -2.680 -0.513 239 HG22 VAL 33 1HG2 VAL 33 -0.643 -1.540 0.802 240 HG23 VAL 33 2HG2 VAL 33 -1.752 -1.630 -0.569 241 H ALA 34 H ALA 34 -1.566 -3.797 -2.411 242 HA ALA 34 HA ALA 34 0.100 -6.249 -2.387 243 HB1 ALA 34 3HB ALA 34 -1.798 -6.615 -3.892 244 HB2 ALA 34 1HB ALA 34 -0.286 -6.526 -4.801 245 HB3 ALA 34 2HB ALA 34 -1.398 -5.157 -4.792 246 H LEU 35 H LEU 35 2.076 -5.566 -2.143 247 HA LEU 35 HA LEU 35 3.065 -3.063 -3.300 248 HB2 LEU 35 2HB LEU 35 3.768 -3.552 -1.028 249 HB3 LEU 35 1HB LEU 35 4.310 -5.159 -1.479 250 HG LEU 35 HG LEU 35 6.150 -4.093 -2.873 251 HD11 LEU 35 1HD1 LEU 35 6.726 -1.744 -2.531 252 HD12 LEU 35 2HD1 LEU 35 5.259 -1.509 -1.576 253 HD13 LEU 35 3HD1 LEU 35 5.146 -1.920 -3.289 254 HD21 LEU 35 3HD2 LEU 35 6.172 -3.387 0.073 255 HD22 LEU 35 1HD2 LEU 35 7.587 -3.514 -0.978 256 HD23 LEU 35 2HD2 LEU 35 6.616 -4.943 -0.637 257 H ASN 36 H ASN 36 3.495 -3.204 -5.399 258 HA ASN 36 HA ASN 36 4.271 -3.812 -7.436 259 HB2 ASN 36 2HB ASN 36 6.271 -5.450 -5.808 260 HB3 ASN 36 1HB ASN 36 6.450 -5.064 -7.518 261 HD21 ASN 36 1HD2 ASN 36 8.064 -4.333 -5.080 262 HD22 ASN 36 2HD2 ASN 36 8.224 -2.618 -5.157 263 H TYR 37 H TYR 37 2.005 -5.004 -6.828 264 HA TYR 37 HA TYR 37 0.539 -6.482 -7.677 265 HB2 TYR 37 2HB TYR 37 2.962 -7.581 -9.145 266 HB3 TYR 37 1HB TYR 37 1.357 -8.267 -9.348 267 HD1 TYR 37 HD2 TYR 37 3.413 -5.199 -9.949 268 HD2 TYR 37 HD1 TYR 37 -0.287 -7.183 -10.731 269 HE1 TYR 37 HE2 TYR 37 2.882 -3.547 -11.678 270 HE2 TYR 37 HE1 TYR 37 -0.813 -5.527 -12.460 271 HH TYR 37 HH TYR 37 1.484 -3.363 -13.692 272 H ASP 38 H ASP 38 2.526 -7.206 -5.273 273 HA ASP 38 HA ASP 38 1.474 -9.961 -4.890 274 HB2 ASP 38 2HB ASP 38 3.868 -10.154 -5.273 275 HB3 ASP 38 1HB ASP 38 4.210 -8.857 -4.130 276 H VAL 39 H VAL 39 0.333 -10.241 -3.123 277 HA VAL 39 HA VAL 39 -0.542 -8.052 -1.578 278 HB VAL 39 HB VAL 39 -2.013 -9.986 -2.068 279 HG11 VAL 39 1HG1 VAL 39 -1.819 -12.114 -0.826 280 HG12 VAL 39 2HG1 VAL 39 -0.305 -11.559 -0.106 281 HG13 VAL 39 3HG1 VAL 39 -0.407 -11.826 -1.847 282 HG21 VAL 39 3HG2 VAL 39 -3.109 -10.176 0.153 283 HG22 VAL 39 1HG2 VAL 39 -2.620 -8.515 -0.195 284 HG23 VAL 39 2HG2 VAL 39 -1.669 -9.499 0.919 285 H VAL 40 H VAL 40 0.065 -7.303 0.352 286 HA VAL 40 HA VAL 40 2.179 -8.592 1.923 287 HB VAL 40 HB VAL 40 0.875 -5.858 2.339 288 HG11 VAL 40 1HG1 VAL 40 2.868 -5.358 3.735 289 HG12 VAL 40 2HG1 VAL 40 3.452 -7.004 3.485 290 HG13 VAL 40 3HG1 VAL 40 1.955 -6.726 4.378 291 HG21 VAL 40 3HG2 VAL 40 3.478 -6.488 0.896 292 HG22 VAL 40 1HG2 VAL 40 2.872 -4.870 1.258 293 HG23 VAL 40 2HG2 VAL 40 1.989 -5.913 0.137 294 HA PRO 41 HA PRO 41 -1.220 -10.224 4.568 295 HB2 PRO 41 2HB PRO 41 0.510 -11.071 6.646 296 HB3 PRO 41 1HB PRO 41 -0.001 -12.053 5.261 297 HG2 PRO 41 2HG PRO 41 2.552 -10.578 5.681 298 HG3 PRO 41 1HG PRO 41 2.261 -12.102 4.824 299 HD2 PRO 41 2HD PRO 41 2.714 -9.751 3.517 300 HD3 PRO 41 1HD PRO 41 1.686 -11.034 2.838 301 H ARG 42 H ARG 42 -2.176 -9.661 6.592 302 HA ARG 42 HA ARG 42 -2.344 -6.917 6.960 303 HB2 ARG 42 2HB ARG 42 -3.276 -9.120 8.845 304 HB3 ARG 42 1HB ARG 42 -3.792 -7.434 8.944 305 HG2 ARG 42 2HG ARG 42 -4.850 -7.601 6.736 306 HG3 ARG 42 1HG ARG 42 -4.266 -9.259 6.566 307 HD2 ARG 42 2HD ARG 42 -5.633 -9.960 8.482 308 HD3 ARG 42 1HD ARG 42 -6.202 -8.300 8.702 309 HE ARG 42 HE ARG 42 -7.115 -8.556 6.349 310 HH11 ARG 42 2HH1 ARG 42 -6.849 -11.355 8.485 311 HH12 ARG 42 1HH1 ARG 42 -8.142 -12.201 7.708 312 HH21 ARG 42 2HH2 ARG 42 -8.795 -9.682 5.379 313 HH22 ARG 42 1HH2 ARG 42 -9.240 -11.258 5.958 314 H GLY 43 H GLY 43 -0.856 -9.263 9.223 315 HA2 GLY 43 2HA GLY 43 -0.010 -7.320 11.141 316 HA3 GLY 43 1HA GLY 43 0.506 -8.991 11.049 317 H LYS 44 H LYS 44 1.201 -7.976 8.071 318 HA LYS 44 HA LYS 44 4.023 -7.447 8.686 319 HB2 LYS 44 2HB LYS 44 3.361 -9.379 7.221 320 HB3 LYS 44 1HB LYS 44 2.639 -8.242 6.095 321 HG2 LYS 44 2HG LYS 44 4.746 -8.912 5.201 322 HG3 LYS 44 1HG LYS 44 4.902 -7.236 5.735 323 HD2 LYS 44 2HD LYS 44 5.996 -8.055 7.846 324 HD3 LYS 44 1HD LYS 44 5.907 -9.703 7.215 325 HE2 LYS 44 2HE LYS 44 7.323 -9.008 5.288 326 HE3 LYS 44 1HE LYS 44 7.450 -7.394 5.993 327 HZ1 LYS 44 3HZ LYS 44 9.370 -8.753 6.508 328 HZ2 LYS 44 1HZ LYS 44 8.389 -9.902 7.260 329 HZ3 LYS 44 2HZ LYS 44 8.529 -8.355 7.917 330 H TRP 45 H TRP 45 1.132 -5.853 7.612 331 HA TRP 45 HA TRP 45 1.995 -3.896 5.817 332 HB2 TRP 45 2HB TRP 45 -0.094 -3.617 8.022 333 HB3 TRP 45 1HB TRP 45 0.144 -2.424 6.750 334 HD1 TRP 45 HD1 TRP 45 0.479 -5.574 4.982 335 HE1 TRP 45 HE1 TRP 45 -1.739 -6.318 3.936 336 HE3 TRP 45 HE3 TRP 45 -2.716 -2.465 7.501 337 HZ2 TRP 45 HZ2 TRP 45 -4.456 -5.684 4.115 338 HZ3 TRP 45 HZ3 TRP 45 -5.128 -2.597 6.987 339 HH2 TRP 45 HH2 TRP 45 -5.977 -4.176 5.326 340 H ASP 46 H ASP 46 2.100 -3.827 9.356 341 HA ASP 46 HA ASP 46 3.257 -1.245 9.669 342 HB2 ASP 46 2HB ASP 46 2.004 -2.314 11.483 343 HB3 ASP 46 1HB ASP 46 3.159 -3.641 11.550 344 H GLU 47 H GLU 47 4.572 -4.503 9.414 345 HA GLU 47 HA GLU 47 7.301 -3.839 9.968 346 HB2 GLU 47 2HB GLU 47 6.197 -6.312 8.574 347 HB3 GLU 47 1HB GLU 47 7.765 -6.155 9.370 348 HG2 GLU 47 2HG GLU 47 6.612 -5.842 11.543 349 HG3 GLU 47 1HG GLU 47 5.055 -6.049 10.736 350 H THR 48 H THR 48 5.346 -3.615 7.128 351 HA THR 48 HA THR 48 7.671 -3.621 5.301 352 HB THR 48 HB THR 48 4.687 -3.657 4.635 353 HG1 THR 48 HG1 THR 48 5.538 -5.610 5.608 354 HG21 THR 48 3HG2 THR 48 7.095 -4.063 2.799 355 HG22 THR 48 1HG2 THR 48 6.061 -2.629 2.817 356 HG23 THR 48 2HG2 THR 48 5.402 -4.188 2.319 357 HA PRO 49 HA PRO 49 6.952 0.937 5.392 358 HB2 PRO 49 2HB PRO 49 9.280 1.686 4.193 359 HB3 PRO 49 1HB PRO 49 9.241 1.146 5.887 360 HG2 PRO 49 2HG PRO 49 10.009 -0.429 3.437 361 HG3 PRO 49 1HG PRO 49 10.834 -0.332 5.012 362 HD2 PRO 49 2HD PRO 49 9.165 -2.400 4.356 363 HD3 PRO 49 1HD PRO 49 9.371 -1.833 6.028 364 H VAL 50 H VAL 50 6.635 2.538 3.688 365 HA VAL 50 HA VAL 50 6.255 1.504 0.941 366 HB VAL 50 HB VAL 50 5.401 4.207 2.115 367 HG11 VAL 50 1HG1 VAL 50 4.684 2.926 -0.549 368 HG12 VAL 50 2HG1 VAL 50 5.725 4.331 -0.322 369 HG13 VAL 50 3HG1 VAL 50 4.008 4.436 0.071 370 HG21 VAL 50 3HG2 VAL 50 4.130 2.384 3.163 371 HG22 VAL 50 1HG2 VAL 50 3.685 1.760 1.573 372 HG23 VAL 50 2HG2 VAL 50 3.093 3.337 2.101 373 H THR 51 H THR 51 7.540 2.326 -0.730 374 HA THR 51 HA THR 51 9.461 4.497 -0.163 375 HB THR 51 HB THR 51 10.181 1.885 -1.580 376 HG1 THR 51 HG1 THR 51 10.284 2.626 1.039 377 HG21 THR 51 3HG2 THR 51 11.432 3.795 -2.528 378 HG22 THR 51 1HG2 THR 51 12.508 2.756 -1.584 379 HG23 THR 51 2HG2 THR 51 11.932 4.281 -0.907 380 H ALA 52 H ALA 52 9.801 5.863 -1.875 381 HA ALA 52 HA ALA 52 7.752 6.101 -3.819 382 HB1 ALA 52 3HB ALA 52 8.890 8.046 -2.839 383 HB2 ALA 52 1HB ALA 52 9.016 8.065 -4.600 384 HB3 ALA 52 2HB ALA 52 10.399 7.572 -3.618 385 H GLY 53 H GLY 53 7.827 5.842 -6.065 386 HA2 GLY 53 2HA GLY 53 8.727 5.232 -8.139 387 HA3 GLY 53 1HA GLY 53 10.168 4.619 -7.350 388 H ASP 54 H ASP 54 7.970 3.261 -5.444 389 HA ASP 54 HA ASP 54 7.747 0.797 -7.009 390 HB2 ASP 54 2HB ASP 54 6.973 1.432 -4.130 391 HB3 ASP 54 1HB ASP 54 6.713 -0.144 -4.881 392 H GLU 55 H GLU 55 5.676 -0.378 -6.977 393 HA GLU 55 HA GLU 55 3.404 1.398 -7.614 394 HB2 GLU 55 2HB GLU 55 4.604 0.518 -9.629 395 HB3 GLU 55 1HB GLU 55 4.249 -1.126 -9.109 396 HG2 GLU 55 2HG GLU 55 1.903 -0.821 -9.457 397 HG3 GLU 55 1HG GLU 55 2.085 0.918 -9.657 398 H ILE 56 H ILE 56 2.138 1.102 -5.938 399 HA ILE 56 HA ILE 56 1.602 -1.564 -4.764 400 HB ILE 56 HB ILE 56 1.087 1.238 -3.637 401 HG12 ILE 56 2HG1 ILE 56 3.305 -0.743 -2.945 402 HG13 ILE 56 1HG1 ILE 56 3.514 0.765 -3.826 403 HG21 ILE 56 1HG2 ILE 56 0.649 0.112 -1.484 404 HG22 ILE 56 2HG2 ILE 56 0.865 -1.457 -2.262 405 HG23 ILE 56 3HG2 ILE 56 -0.482 -0.419 -2.730 406 HD11 ILE 56 3HD1 ILE 56 2.847 2.016 -1.827 407 HD12 ILE 56 1HD1 ILE 56 4.253 0.994 -1.541 408 HD13 ILE 56 2HD1 ILE 56 2.671 0.500 -0.937 409 H GLU 57 H GLU 57 -0.695 -2.151 -4.414 410 HA GLU 57 HA GLU 57 -2.773 -0.342 -5.436 411 HB2 GLU 57 2HB GLU 57 -3.828 -2.089 -6.856 412 HB3 GLU 57 1HB GLU 57 -2.220 -1.666 -7.434 413 HG2 GLU 57 2HG GLU 57 -1.309 -3.708 -6.419 414 HG3 GLU 57 1HG GLU 57 -2.904 -4.131 -5.811 415 H ILE 58 H ILE 58 -4.721 -0.568 -4.334 416 HA ILE 58 HA ILE 58 -4.696 -2.330 -2.000 417 HB ILE 58 HB ILE 58 -6.720 -0.214 -2.851 418 HG12 ILE 58 2HG1 ILE 58 -4.606 -0.241 -0.647 419 HG13 ILE 58 1HG1 ILE 58 -4.577 0.732 -2.114 420 HG21 ILE 58 1HG2 ILE 58 -7.792 -0.515 -0.644 421 HG22 ILE 58 2HG2 ILE 58 -6.699 -1.855 -0.290 422 HG23 ILE 58 3HG2 ILE 58 -7.878 -1.999 -1.596 423 HD11 ILE 58 3HD1 ILE 58 -5.185 2.069 -0.211 424 HD12 ILE 58 1HD1 ILE 58 -6.547 1.016 0.158 425 HD13 ILE 58 2HD1 ILE 58 -6.539 1.968 -1.329 426 H LEU 59 H LEU 59 -5.496 -4.264 -2.082 427 HA LEU 59 HA LEU 59 -7.317 -5.153 -4.188 428 HB2 LEU 59 2HB LEU 59 -5.732 -6.594 -2.027 429 HB3 LEU 59 1HB LEU 59 -6.870 -7.424 -3.082 430 HG LEU 59 HG LEU 59 -4.455 -5.871 -4.098 431 HD11 LEU 59 1HD1 LEU 59 -3.689 -7.771 -2.793 432 HD12 LEU 59 2HD1 LEU 59 -3.378 -8.009 -4.511 433 HD13 LEU 59 3HD1 LEU 59 -4.718 -8.860 -3.731 434 HD21 LEU 59 3HD2 LEU 59 -6.238 -6.009 -5.734 435 HD22 LEU 59 1HD2 LEU 59 -6.382 -7.755 -5.494 436 HD23 LEU 59 2HD2 LEU 59 -4.917 -7.066 -6.214 437 H THR 60 H THR 60 -9.447 -5.238 -3.847 438 HA THR 60 HA THR 60 -10.551 -5.368 -1.110 439 HB THR 60 HB THR 60 -12.656 -4.481 -2.151 440 HG1 THR 60 HG1 THR 60 -11.849 -5.219 -4.385 441 HG21 THR 60 3HG2 THR 60 -11.914 -2.161 -2.504 442 HG22 THR 60 1HG2 THR 60 -10.243 -2.706 -2.691 443 HG23 THR 60 2HG2 THR 60 -11.063 -2.880 -1.137 444 HA PRO 61 HA PRO 61 -10.628 -9.587 -3.000 445 HB2 PRO 61 2HB PRO 61 -11.131 -10.498 -0.185 446 HB3 PRO 61 1HB PRO 61 -9.833 -10.962 -1.310 447 HG2 PRO 61 2HG PRO 61 -9.308 -9.387 0.785 448 HG3 PRO 61 1HG PRO 61 -8.511 -9.125 -0.783 449 HD2 PRO 61 2HD PRO 61 -10.850 -7.625 0.402 450 HD3 PRO 61 1HD PRO 61 -9.410 -6.994 -0.428 451 H ARG 62 H ARG 62 -12.365 -10.275 -4.042 452 HA ARG 62 HA ARG 62 -14.408 -11.049 -4.612 453 HB2 ARG 62 2HB ARG 62 -15.099 -10.967 -1.651 454 HB3 ARG 62 1HB ARG 62 -16.068 -11.748 -2.896 455 HG2 ARG 62 2HG ARG 62 -13.248 -12.573 -2.107 456 HG3 ARG 62 1HG ARG 62 -14.735 -13.339 -1.540 457 HD2 ARG 62 2HD ARG 62 -13.753 -13.223 -4.402 458 HD3 ARG 62 1HD ARG 62 -13.731 -14.632 -3.339 459 HE ARG 62 HE ARG 62 -16.307 -13.373 -3.979 460 HH11 ARG 62 1HH1 ARG 62 -14.141 -16.125 -4.449 461 HH12 ARG 62 2HH1 ARG 62 -15.384 -17.127 -5.126 462 HH21 ARG 62 2HH2 ARG 62 -17.907 -14.708 -4.875 463 HH22 ARG 62 1HH2 ARG 62 -17.505 -16.325 -5.366 464 H GLN 63 H GLN 63 -13.862 -8.053 -3.439 465 HA GLN 63 HA GLN 63 -16.637 -7.042 -3.518 466 HB2 GLN 63 2HB GLN 63 -14.077 -5.647 -2.613 467 HB3 GLN 63 1HB GLN 63 -15.715 -5.022 -2.432 468 HG2 GLN 63 2HG GLN 63 -14.624 -7.516 -1.093 469 HG3 GLN 63 1HG GLN 63 -14.803 -5.940 -0.326 470 HE21 GLN 63 1HE2 GLN 63 -15.992 -8.545 0.367 471 HE22 GLN 63 2HE2 GLN 63 -17.697 -8.264 0.419 472 H GLY 64 H GLY 64 -17.042 -5.012 -4.653 473 HA2 GLY 64 2HA GLY 64 -16.880 -3.562 -6.453 474 HA3 GLY 64 1HA GLY 64 -15.321 -4.265 -6.888 475 H GLY 65 H GLY 65 -15.326 -6.410 -7.882 476 HA2 GLY 65 2HA GLY 65 -16.266 -8.204 -9.112 477 HA3 GLY 65 1HA GLY 65 -17.826 -7.398 -9.087 478 H LEU 66 H LEU 66 -15.473 -8.323 -11.133 479 HA LEU 66 HA LEU 66 -14.796 -6.134 -12.703 480 HB2 LEU 66 2HB LEU 66 -15.130 -9.045 -13.530 481 HB3 LEU 66 1HB LEU 66 -14.356 -7.818 -14.524 482 HG LEU 66 HG LEU 66 -13.348 -8.863 -11.845 483 HD11 LEU 66 1HD1 LEU 66 -12.215 -9.192 -14.640 484 HD12 LEU 66 2HD1 LEU 66 -13.022 -10.440 -13.688 485 HD13 LEU 66 3HD1 LEU 66 -11.484 -9.780 -13.140 486 HD21 LEU 66 3HD2 LEU 66 -12.828 -6.487 -12.041 487 HD22 LEU 66 1HD2 LEU 66 -12.130 -6.743 -13.643 488 HD23 LEU 66 2HD2 LEU 66 -11.365 -7.452 -12.215 489 H GLU 67 H GLU 67 -17.109 -8.609 -13.842 490 HA GLU 67 HA GLU 67 -18.901 -8.518 -15.219 491 HB2 GLU 67 2HB GLU 67 -19.608 -6.123 -13.486 492 HB3 GLU 67 1HB GLU 67 -20.738 -7.116 -14.406 493 HG2 GLU 67 2HG GLU 67 -20.244 -9.047 -12.986 494 HG3 GLU 67 1HG GLU 67 -19.060 -8.114 -12.070 495 H HIS 68 H HIS 68 -17.086 -7.740 -16.780 496 HA HIS 68 HA HIS 68 -16.483 -5.241 -17.544 497 HB2 HIS 68 2HB HIS 68 -16.125 -6.188 -19.935 498 HB3 HIS 68 1HB HIS 68 -15.242 -6.898 -18.599 499 HD1 HIS 68 HD1 HIS 68 -14.851 -9.176 -19.499 500 HD2 HIS 68 HD2 HIS 68 -18.859 -8.121 -19.729 501 HE1 HIS 68 HE1 HIS 68 -16.052 -11.229 -20.259 502 HE2 HIS 68 HE2 HIS 68 -18.478 -10.630 -20.144 503 H HIS 69 H HIS 69 -17.805 -3.588 -17.702 504 HA HIS 69 HA HIS 69 -20.530 -3.634 -18.298 505 HB2 HIS 69 2HB HIS 69 -18.565 -1.301 -18.311 506 HB3 HIS 69 1HB HIS 69 -20.309 -1.104 -18.428 507 HD1 HIS 69 HD1 HIS 69 -21.535 -0.904 -16.295 508 HD2 HIS 69 HD2 HIS 69 -17.734 -2.461 -15.737 509 HE1 HIS 69 HE1 HIS 69 -21.220 -1.042 -13.815 510 HE2 HIS 69 HE2 HIS 69 -18.851 -1.838 -13.513 511 H HIS 70 H HIS 70 -21.374 -4.151 -20.202 512 HA HIS 70 HA HIS 70 -20.026 -3.831 -22.734 513 HB2 HIS 70 2HB HIS 70 -22.878 -4.687 -22.027 514 HB3 HIS 70 1HB HIS 70 -22.230 -4.714 -23.663 515 HD1 HIS 70 HD1 HIS 70 -22.674 -6.834 -20.795 516 HD2 HIS 70 HD2 HIS 70 -19.862 -6.519 -23.831 517 HE1 HIS 70 HE1 HIS 70 -21.499 -9.045 -20.857 518 HE2 HIS 70 HE2 HIS 70 -19.945 -8.889 -22.826 519 H HIS 71 H HIS 71 -19.787 -1.822 -23.536 520 HA HIS 71 HA HIS 71 -21.400 0.417 -22.837 521 HB2 HIS 71 2HB HIS 71 -19.007 0.616 -23.435 522 HB3 HIS 71 1HB HIS 71 -19.358 0.107 -25.080 523 HD1 HIS 71 HD1 HIS 71 -19.660 1.970 -26.687 524 HD2 HIS 71 HD2 HIS 71 -20.442 3.176 -22.783 525 HE1 HIS 71 HE1 HIS 71 -20.116 4.436 -26.799 526 HE2 HIS 71 HE2 HIS 71 -20.697 5.109 -24.457 527 H HIS 72 H HIS 72 -21.239 -1.700 -25.646 528 HA HIS 72 HA HIS 72 -22.572 -2.196 -27.355 529 HB2 HIS 72 2HB HIS 72 -24.666 -0.422 -26.047 530 HB3 HIS 72 1HB HIS 72 -24.950 -1.355 -27.510 531 HD1 HIS 72 HD1 HIS 72 -25.365 -3.849 -27.275 532 HD2 HIS 72 HD2 HIS 72 -24.464 -1.997 -23.676 533 HE1 HIS 72 HE1 HIS 72 -25.906 -5.533 -25.494 534 HE2 HIS 72 HE2 HIS 72 -25.525 -4.309 -23.336 535 H HIS 73 H HIS 73 -23.002 1.287 -26.712 536 HA HIS 73 HA HIS 73 -22.809 3.145 -27.937 537 HB2 HIS 73 2HB HIS 73 -20.536 2.474 -28.626 538 HB3 HIS 73 1HB HIS 73 -21.188 1.445 -29.902 539 HD1 HIS 73 HD1 HIS 73 -20.752 5.080 -28.979 540 HD2 HIS 73 HD2 HIS 73 -21.717 2.780 -32.297 541 HE1 HIS 73 HE1 HIS 73 -20.811 6.672 -30.915 542 HE2 HIS 73 HE2 HIS 73 -21.265 5.234 -32.924
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