NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558317 | 2m4m | 19013 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -25.186 11.926 -10.974 2 H2 MET 1 HT2 MET 1 -26.137 13.295 -10.718 3 H3 MET 1 HT3 MET 1 -26.701 11.780 -10.230 4 HA MET 1 HA MET 1 -25.934 13.055 -8.354 5 HB2 MET 1 HB2 MET 1 -24.188 10.700 -9.103 6 HB3 MET 1 HB1 MET 1 -24.239 11.410 -7.496 7 HG2 MET 1 HG2 MET 1 -26.596 10.839 -7.311 8 HG3 MET 1 HG1 MET 1 -26.564 10.142 -8.924 9 HE1 MET 1 HE1 MET 1 -27.408 7.786 -8.321 10 HE2 MET 1 HE2 MET 1 -27.734 8.412 -6.709 11 HE3 MET 1 HE3 MET 1 -26.881 6.884 -6.901 12 H SER 2 HN SER 2 -24.039 13.834 -7.175 13 HA SER 2 HA SER 2 -22.563 15.696 -8.681 14 HB2 SER 2 HB2 SER 2 -23.119 16.016 -6.298 15 HB3 SER 2 HB1 SER 2 -22.053 14.681 -5.868 16 HG SER 2 HG SER 2 -21.381 17.155 -5.993 17 H LEU 3 HN LEU 3 -21.709 12.541 -7.356 18 HA LEU 3 HA LEU 3 -18.994 12.713 -8.368 19 HB2 LEU 3 HB2 LEU 3 -20.401 10.467 -6.933 20 HB3 LEU 3 HB1 LEU 3 -18.690 10.524 -7.304 21 HG LEU 3 HG LEU 3 -20.145 12.380 -5.417 22 HD11 LEU 3 HD11 LEU 3 -19.904 10.083 -4.578 23 HD12 LEU 3 HD12 LEU 3 -18.936 11.233 -3.662 24 HD13 LEU 3 HD13 LEU 3 -18.165 10.176 -4.847 25 HD21 LEU 3 HD21 LEU 3 -17.207 12.167 -6.074 26 HD22 LEU 3 HD22 LEU 3 -17.918 13.195 -4.828 27 HD23 LEU 3 HD23 LEU 3 -18.281 13.494 -6.526 28 H GLY 4 HN GLY 4 -18.102 10.993 -9.723 29 HA2 GLY 4 HA2 GLY 4 -20.123 9.905 -11.580 30 HA3 GLY 4 HA1 GLY 4 -18.541 10.477 -12.093 31 H SER 5 HN SER 5 -18.743 8.175 -13.034 32 HA SER 5 HA SER 5 -17.920 6.062 -13.142 33 HB2 SER 5 HB2 SER 5 -16.395 6.684 -10.600 34 HB3 SER 5 HB1 SER 5 -15.978 5.523 -11.861 35 HG SER 5 HG SER 5 -14.871 7.675 -11.866 36 H GLU 6 HN GLU 6 -17.223 4.219 -11.116 37 HA GLU 6 HA GLU 6 -19.640 4.055 -9.470 38 HB2 GLU 6 HB2 GLU 6 -19.862 2.582 -11.478 39 HB3 GLU 6 HB1 GLU 6 -18.428 1.713 -10.947 40 HG2 GLU 6 HG2 GLU 6 -19.584 1.084 -8.883 41 HG3 GLU 6 HG1 GLU 6 -21.024 1.933 -9.442 42 H SER 7 HN SER 7 -18.073 4.934 -7.879 43 HA SER 7 HA SER 7 -16.786 2.761 -6.543 44 HB2 SER 7 HB2 SER 7 -14.896 4.424 -6.080 45 HB3 SER 7 HB1 SER 7 -14.935 3.690 -7.684 46 HG SER 7 HG SER 7 -15.853 6.281 -6.951 47 H GLU 8 HN GLU 8 -15.745 4.375 -4.563 48 HA GLU 8 HA GLU 8 -18.108 5.472 -3.322 49 HB2 GLU 8 HB2 GLU 8 -17.208 4.618 -1.204 50 HB3 GLU 8 HB1 GLU 8 -17.535 3.323 -2.349 51 HG2 GLU 8 HG2 GLU 8 -15.221 3.164 -2.911 52 HG3 GLU 8 HG1 GLU 8 -14.827 4.544 -1.894 53 H THR 9 HN THR 9 -16.964 6.412 -1.169 54 HA THR 9 HA THR 9 -15.611 8.770 -1.987 55 HB THR 9 HB THR 9 -15.806 7.704 0.837 56 HG1 THR 9 HG1 THR 9 -17.674 9.180 -0.738 57 HG21 THR 9 HG21 THR 9 -15.538 10.500 -0.285 58 HG22 THR 9 HG22 THR 9 -14.289 9.599 0.570 59 HG23 THR 9 HG23 THR 9 -15.749 10.110 1.420 60 H GLY 10 HN GLY 10 -14.604 5.840 -0.253 61 HA2 GLY 10 HA2 GLY 10 -12.548 4.762 -0.570 62 HA3 GLY 10 HA1 GLY 10 -11.897 6.242 -1.253 63 H ASN 11 HN ASN 11 -12.766 7.943 0.912 64 HA ASN 11 HA ASN 11 -10.972 6.975 3.035 65 HB2 ASN 11 HB2 ASN 11 -11.218 9.754 1.884 66 HB3 ASN 11 HB1 ASN 11 -10.383 9.417 3.399 67 HD21 ASN 11 HD21 ASN 11 -9.357 10.461 0.861 68 HD22 ASN 11 HD22 ASN 11 -8.093 9.380 0.387 69 H ALA 12 HN ALA 12 -13.947 6.932 2.702 70 HA ALA 12 HA ALA 12 -14.563 7.978 5.363 71 HB1 ALA 12 HB1 ALA 12 -15.384 9.657 3.757 72 HB2 ALA 12 HB2 ALA 12 -16.712 8.866 4.604 73 HB3 ALA 12 HB3 ALA 12 -16.329 8.408 2.947 74 H VAL 13 HN VAL 13 -15.925 6.688 6.520 75 HA VAL 13 HA VAL 13 -16.931 4.281 5.150 76 HB VAL 13 HB VAL 13 -16.593 3.051 7.313 77 HG11 VAL 13 HG11 VAL 13 -15.026 2.770 5.480 78 HG12 VAL 13 HG12 VAL 13 -14.195 2.702 7.034 79 HG13 VAL 13 HG13 VAL 13 -14.099 4.158 6.044 80 HG21 VAL 13 HG21 VAL 13 -15.019 3.972 8.954 81 HG22 VAL 13 HG22 VAL 13 -16.468 4.966 8.819 82 HG23 VAL 13 HG23 VAL 13 -14.967 5.486 8.049 83 H VAL 14 HN VAL 14 -18.754 3.258 6.165 84 HA VAL 14 HA VAL 14 -20.469 5.185 7.579 85 HB VAL 14 HB VAL 14 -21.286 2.693 6.049 86 HG11 VAL 14 HG11 VAL 14 -22.839 3.266 7.815 87 HG12 VAL 14 HG12 VAL 14 -23.555 3.597 6.238 88 HG13 VAL 14 HG13 VAL 14 -22.935 4.924 7.220 89 HG21 VAL 14 HG21 VAL 14 -21.490 5.584 5.203 90 HG22 VAL 14 HG22 VAL 14 -22.128 4.200 4.319 91 HG23 VAL 14 HG23 VAL 14 -20.385 4.381 4.531 92 H VAL 15 HN VAL 15 -20.599 4.800 9.681 93 HA VAL 15 HA VAL 15 -20.097 2.059 10.621 94 HB VAL 15 HB VAL 15 -19.882 4.670 12.145 95 HG11 VAL 15 HG11 VAL 15 -20.509 2.800 13.597 96 HG12 VAL 15 HG12 VAL 15 -18.857 3.332 13.916 97 HG13 VAL 15 HG13 VAL 15 -19.142 1.865 12.985 98 HG21 VAL 15 HG21 VAL 15 -17.748 2.855 11.025 99 HG22 VAL 15 HG22 VAL 15 -17.451 4.191 12.137 100 HG23 VAL 15 HG23 VAL 15 -18.107 4.511 10.531 101 H PHE 16 HN PHE 16 -21.694 0.971 11.485 102 HA PHE 16 HA PHE 16 -23.934 2.405 12.676 103 HB2 PHE 16 HB2 PHE 16 -25.576 0.958 11.514 104 HB3 PHE 16 HB1 PHE 16 -24.678 1.979 10.399 105 HD1 PHE 16 HD1 PHE 16 -25.183 -1.462 11.590 106 HD2 PHE 16 HD2 PHE 16 -23.217 1.027 8.754 107 HE1 PHE 16 HE1 PHE 16 -24.596 -3.448 10.258 108 HE2 PHE 16 HE2 PHE 16 -22.626 -0.951 7.421 109 HZ PHE 16 HZ PHE 16 -23.311 -3.189 8.175 110 H GLY 17 HN GLY 17 -25.291 1.055 14.015 111 HA2 GLY 17 HA2 GLY 17 -25.684 -0.942 15.257 112 HA3 GLY 17 HA1 GLY 17 -24.061 -1.477 14.849 113 H TYR 18 HN TYR 18 -24.851 1.703 16.086 114 HA TYR 18 HA TYR 18 -23.724 0.963 18.698 115 HB2 TYR 18 HB2 TYR 18 -22.472 3.073 18.770 116 HB3 TYR 18 HB1 TYR 18 -21.947 2.088 17.414 117 HD1 TYR 18 HD2 TYR 18 -22.483 2.792 15.104 118 HD2 TYR 18 HD1 TYR 18 -23.590 5.157 18.456 119 HE1 TYR 18 HE2 TYR 18 -22.892 4.709 13.615 120 HE2 TYR 18 HE1 TYR 18 -23.996 7.069 16.977 121 HH TYR 18 HH TYR 18 -23.360 7.876 14.804 122 H ARG 19 HN ARG 19 -24.248 2.588 20.391 123 HA ARG 19 HA ARG 19 -26.787 3.960 19.846 124 HB2 ARG 19 HB2 ARG 19 -27.206 1.826 21.029 125 HB3 ARG 19 HB1 ARG 19 -26.115 2.326 22.312 126 HG2 ARG 19 HG2 ARG 19 -27.597 4.086 22.965 127 HG3 ARG 19 HG1 ARG 19 -28.635 3.796 21.570 128 HD2 ARG 19 HD2 ARG 19 -29.622 2.825 23.564 129 HD3 ARG 19 HD1 ARG 19 -29.153 1.555 22.438 130 HE ARG 19 HE ARG 19 -27.085 2.022 24.317 131 HH11 ARG 19 HH11 ARG 19 -30.266 0.589 24.028 132 HH12 ARG 19 HH12 ARG 19 -30.007 -0.558 25.291 133 HH21 ARG 19 HH21 ARG 19 -26.732 0.460 26.007 134 HH22 ARG 19 HH22 ARG 19 -28.007 -0.637 26.403 135 H GLU 20 HN GLU 20 -27.221 5.813 21.233 136 HA GLU 20 HA GLU 20 -24.908 7.409 21.619 137 HB2 GLU 20 HB2 GLU 20 -27.730 7.952 22.561 138 HB3 GLU 20 HB1 GLU 20 -26.439 9.132 22.434 139 HG2 GLU 20 HG2 GLU 20 -27.542 9.581 20.508 140 HG3 GLU 20 HG1 GLU 20 -26.441 8.342 19.914 141 H ALA 21 HN ALA 21 -25.784 4.983 23.519 142 HA ALA 21 HA ALA 21 -25.283 6.347 26.052 143 HB1 ALA 21 HB1 ALA 21 -26.143 3.506 25.516 144 HB2 ALA 21 HB2 ALA 21 -27.193 4.842 25.984 145 HB3 ALA 21 HB3 ALA 21 -25.969 4.250 27.105 146 H ILE 22 HN ILE 22 -23.441 5.083 23.661 147 HA ILE 22 HA ILE 22 -21.426 4.019 25.557 148 HB ILE 22 HB ILE 22 -20.522 2.630 23.797 149 HG12 ILE 22 HG12 ILE 22 -22.783 3.440 21.972 150 HG13 ILE 22 HG11 ILE 22 -21.260 4.319 21.970 151 HG21 ILE 22 HG21 ILE 22 -23.516 2.304 23.990 152 HG22 ILE 22 HG22 ILE 22 -22.319 1.650 25.116 153 HG23 ILE 22 HG23 ILE 22 -22.382 1.063 23.455 154 HD11 ILE 22 HD11 ILE 22 -20.133 2.135 21.523 155 HD12 ILE 22 HD12 ILE 22 -21.152 2.759 20.231 156 HD13 ILE 22 HD13 ILE 22 -21.739 1.443 21.260 157 H THR 23 HN THR 23 -22.034 6.774 24.077 158 HA THR 23 HA THR 23 -20.053 7.203 22.163 159 HB THR 23 HB THR 23 -21.181 9.290 24.012 160 HG1 THR 23 HG1 THR 23 -22.837 9.462 22.509 161 HG21 THR 23 HG21 THR 23 -19.955 9.435 21.247 162 HG22 THR 23 HG22 THR 23 -19.305 10.128 22.728 163 HG23 THR 23 HG23 THR 23 -20.794 10.772 22.035 164 H LYS 24 HN LYS 24 -19.943 7.891 25.651 165 HA LYS 24 HA LYS 24 -17.487 9.221 25.606 166 HB2 LYS 24 HB2 LYS 24 -18.243 7.513 27.941 167 HB3 LYS 24 HB1 LYS 24 -17.541 9.120 27.927 168 HG2 LYS 24 HG2 LYS 24 -20.405 8.386 27.375 169 HG3 LYS 24 HG1 LYS 24 -19.771 9.235 28.774 170 HD2 LYS 24 HD2 LYS 24 -19.137 11.123 27.320 171 HD3 LYS 24 HD1 LYS 24 -19.799 10.271 25.934 172 HE2 LYS 24 HE2 LYS 24 -22.002 10.199 27.014 173 HE3 LYS 24 HE1 LYS 24 -21.354 11.073 28.395 174 HZ1 LYS 24 HZ1 LYS 24 -21.026 12.993 27.072 175 HZ2 LYS 24 HZ2 LYS 24 -22.594 12.441 26.753 176 HZ3 LYS 24 HZ3 LYS 24 -21.359 12.150 25.635 177 H GLN 25 HN GLN 25 -18.326 5.815 25.824 178 HA GLN 25 HA GLN 25 -15.702 4.929 26.454 179 HB2 GLN 25 HB2 GLN 25 -17.918 3.876 27.096 180 HB3 GLN 25 HB1 GLN 25 -17.997 3.284 25.443 181 HG2 GLN 25 HG2 GLN 25 -15.864 2.132 25.784 182 HG3 GLN 25 HG1 GLN 25 -15.876 2.728 27.438 183 HE21 GLN 25 HE21 GLN 25 -15.875 -0.025 26.472 184 HE22 GLN 25 HE22 GLN 25 -17.286 -0.754 27.158 185 H ILE 26 HN ILE 26 -17.819 4.417 23.557 186 HA ILE 26 HA ILE 26 -15.804 3.093 22.114 187 HB ILE 26 HB ILE 26 -18.292 2.853 21.730 188 HG12 ILE 26 HG12 ILE 26 -16.661 3.437 19.258 189 HG13 ILE 26 HG11 ILE 26 -16.518 1.991 20.258 190 HG21 ILE 26 HG21 ILE 26 -18.923 5.192 21.618 191 HG22 ILE 26 HG22 ILE 26 -19.346 4.384 20.115 192 HG23 ILE 26 HG23 ILE 26 -17.913 5.418 20.187 193 HD11 ILE 26 HD11 ILE 26 -18.823 1.400 19.735 194 HD12 ILE 26 HD12 ILE 26 -17.868 1.580 18.267 195 HD13 ILE 26 HD13 ILE 26 -18.982 2.858 18.753 196 H LEU 27 HN LEU 27 -16.797 6.469 22.224 197 HA LEU 27 HA LEU 27 -15.441 7.276 19.900 198 HB2 LEU 27 HB2 LEU 27 -17.203 8.617 20.987 199 HB3 LEU 27 HB1 LEU 27 -16.119 8.930 22.324 200 HG LEU 27 HG LEU 27 -15.255 9.754 19.578 201 HD11 LEU 27 HD11 LEU 27 -17.580 10.510 19.767 202 HD12 LEU 27 HD12 LEU 27 -16.436 11.856 19.789 203 HD13 LEU 27 HD13 LEU 27 -17.187 11.317 21.286 204 HD21 LEU 27 HD21 LEU 27 -13.718 10.012 21.478 205 HD22 LEU 27 HD22 LEU 27 -14.918 10.980 22.330 206 HD23 LEU 27 HD23 LEU 27 -14.200 11.580 20.837 207 H ALA 28 HN ALA 28 -14.403 6.918 23.239 208 HA ALA 28 HA ALA 28 -12.008 8.304 23.146 209 HB1 ALA 28 HB1 ALA 28 -12.949 7.360 25.198 210 HB2 ALA 28 HB2 ALA 28 -11.270 6.866 24.981 211 HB3 ALA 28 HB3 ALA 28 -12.576 5.735 24.628 212 H TYR 29 HN TYR 29 -12.630 4.924 22.189 213 HA TYR 29 HA TYR 29 -9.955 4.309 21.525 214 HB2 TYR 29 HB2 TYR 29 -11.485 2.485 21.829 215 HB3 TYR 29 HB1 TYR 29 -12.540 3.084 20.549 216 HD1 TYR 29 HD1 TYR 29 -9.280 1.480 21.245 217 HD2 TYR 29 HD2 TYR 29 -12.060 2.649 18.248 218 HE1 TYR 29 HE1 TYR 29 -8.032 0.172 19.573 219 HE2 TYR 29 HE2 TYR 29 -10.832 1.348 16.576 220 HH TYR 29 HH TYR 29 -8.324 0.568 16.356 221 H PHE 30 HN PHE 30 -12.647 5.380 19.466 222 HA PHE 30 HA PHE 30 -10.974 5.362 17.121 223 HB2 PHE 30 HB2 PHE 30 -13.842 6.141 17.561 224 HB3 PHE 30 HB1 PHE 30 -13.037 6.310 16.003 225 HD1 PHE 30 HD2 PHE 30 -12.280 4.303 14.781 226 HD2 PHE 30 HD1 PHE 30 -14.562 4.012 18.364 227 HE1 PHE 30 HE2 PHE 30 -12.815 1.960 14.242 228 HE2 PHE 30 HE1 PHE 30 -15.099 1.670 17.831 229 HZ PHE 30 HZ PHE 30 -14.232 0.638 15.769 230 H ALA 31 HN ALA 31 -11.428 7.479 19.594 231 HA ALA 31 HA ALA 31 -11.610 9.959 18.397 232 HB1 ALA 31 HB1 ALA 31 -10.708 10.876 20.456 233 HB2 ALA 31 HB2 ALA 31 -10.110 9.281 20.922 234 HB3 ALA 31 HB3 ALA 31 -11.846 9.572 20.805 235 H GLN 32 HN GLN 32 -8.988 7.754 18.595 236 HA GLN 32 HA GLN 32 -6.774 9.403 18.185 237 HB2 GLN 32 HB2 GLN 32 -6.574 7.013 18.690 238 HB3 GLN 32 HB1 GLN 32 -7.328 6.610 17.153 239 HG2 GLN 32 HG2 GLN 32 -4.945 6.278 17.024 240 HG3 GLN 32 HG1 GLN 32 -5.420 7.615 15.976 241 HE21 GLN 32 HE21 GLN 32 -3.470 8.614 15.966 242 HE22 GLN 32 HE22 GLN 32 -2.789 9.384 17.360 243 H PHE 33 HN PHE 33 -9.298 8.336 16.080 244 HA PHE 33 HA PHE 33 -7.922 9.439 13.745 245 HB2 PHE 33 HB2 PHE 33 -10.425 7.749 13.838 246 HB3 PHE 33 HB1 PHE 33 -9.476 8.161 12.416 247 HD1 PHE 33 HD2 PHE 33 -7.122 7.229 12.227 248 HD2 PHE 33 HD1 PHE 33 -9.916 5.864 15.135 249 HE1 PHE 33 HE2 PHE 33 -5.789 5.182 12.549 250 HE2 PHE 33 HE1 PHE 33 -8.585 3.819 15.460 251 HZ PHE 33 HZ PHE 33 -6.525 3.475 14.164 252 H GLY 34 HN GLY 34 -11.041 9.513 15.486 253 HA2 GLY 34 HA2 GLY 34 -11.427 12.288 15.074 254 HA3 GLY 34 HA1 GLY 34 -12.369 11.381 13.897 255 H GLU 35 HN GLU 35 -14.213 12.420 15.004 256 HA GLU 35 HA GLU 35 -14.914 11.045 17.506 257 HB2 GLU 35 HB2 GLU 35 -15.846 13.705 16.423 258 HB3 GLU 35 HB1 GLU 35 -16.568 12.911 17.817 259 HG2 GLU 35 HG2 GLU 35 -14.445 12.979 18.985 260 HG3 GLU 35 HG1 GLU 35 -13.682 13.738 17.593 261 H ILE 36 HN ILE 36 -17.214 10.439 17.768 262 HA ILE 36 HA ILE 36 -18.252 9.548 15.160 263 HB ILE 36 HB ILE 36 -18.514 8.039 17.785 264 HG12 ILE 36 HG12 ILE 36 -16.772 7.416 15.391 265 HG13 ILE 36 HG11 ILE 36 -16.176 8.260 16.819 266 HG21 ILE 36 HG21 ILE 36 -19.277 6.214 16.341 267 HG22 ILE 36 HG22 ILE 36 -19.172 7.274 14.937 268 HG23 ILE 36 HG23 ILE 36 -20.336 7.618 16.219 269 HD11 ILE 36 HD11 ILE 36 -17.352 5.500 16.765 270 HD12 ILE 36 HD12 ILE 36 -16.686 6.338 18.179 271 HD13 ILE 36 HD13 ILE 36 -15.633 5.900 16.837 272 H LEU 37 HN LEU 37 -19.422 10.104 18.496 273 HA LEU 37 HA LEU 37 -22.009 10.849 17.318 274 HB2 LEU 37 HB2 LEU 37 -21.413 9.923 20.126 275 HB3 LEU 37 HB1 LEU 37 -22.980 10.458 19.569 276 HG LEU 37 HG LEU 37 -22.679 8.524 17.810 277 HD11 LEU 37 HD11 LEU 37 -21.486 6.607 18.743 278 HD12 LEU 37 HD12 LEU 37 -20.896 7.619 20.062 279 HD13 LEU 37 HD13 LEU 37 -20.403 7.956 18.405 280 HD21 LEU 37 HD21 LEU 37 -23.806 7.003 19.365 281 HD22 LEU 37 HD22 LEU 37 -24.452 8.643 19.447 282 HD23 LEU 37 HD23 LEU 37 -23.354 8.061 20.701 283 H GLU 38 HN GLU 38 -23.251 12.381 19.048 284 HA GLU 38 HA GLU 38 -21.614 14.782 18.906 285 HB2 GLU 38 HB2 GLU 38 -24.571 14.445 19.328 286 HB3 GLU 38 HB1 GLU 38 -23.745 15.994 19.245 287 HG2 GLU 38 HG2 GLU 38 -22.991 15.399 16.954 288 HG3 GLU 38 HG1 GLU 38 -23.960 13.934 17.062 289 H ASP 39 HN ASP 39 -22.779 12.690 21.391 290 HA ASP 39 HA ASP 39 -22.693 14.831 23.357 291 HB2 ASP 39 HB2 ASP 39 -23.427 13.129 24.995 292 HB3 ASP 39 HB1 ASP 39 -24.504 13.231 23.611 293 H LEU 40 HN LEU 40 -20.679 15.480 23.801 294 HA LEU 40 HA LEU 40 -18.840 13.545 24.850 295 HB2 LEU 40 HB2 LEU 40 -18.399 13.733 22.401 296 HB3 LEU 40 HB1 LEU 40 -18.060 15.441 22.631 297 HG LEU 40 HG LEU 40 -16.143 14.923 24.007 298 HD11 LEU 40 HD11 LEU 40 -16.931 12.041 23.570 299 HD12 LEU 40 HD12 LEU 40 -16.921 12.902 25.107 300 HD13 LEU 40 HD13 LEU 40 -15.402 12.577 24.273 301 HD21 LEU 40 HD21 LEU 40 -16.234 13.317 21.473 302 HD22 LEU 40 HD22 LEU 40 -14.770 13.829 22.309 303 HD23 LEU 40 HD23 LEU 40 -15.848 15.036 21.597 304 H GLU 41 HN GLU 41 -18.332 14.307 26.699 305 HA GLU 41 HA GLU 41 -17.816 17.192 27.067 306 HB2 GLU 41 HB2 GLU 41 -18.582 15.239 29.250 307 HB3 GLU 41 HB1 GLU 41 -18.449 16.980 29.383 308 HG2 GLU 41 HG2 GLU 41 -20.753 16.520 29.349 309 HG3 GLU 41 HG1 GLU 41 -20.363 17.144 27.749 310 H SER 42 HN SER 42 -15.795 17.713 27.609 311 HA SER 42 HA SER 42 -13.557 17.516 27.863 312 HB2 SER 42 HB2 SER 42 -12.820 16.370 29.973 313 HB3 SER 42 HB1 SER 42 -14.135 17.509 30.206 314 HG SER 42 HG SER 42 -15.170 15.113 29.672 315 H GLU 43 HN GLU 43 -12.700 16.604 26.100 316 HA GLU 43 HA GLU 43 -12.491 13.719 26.042 317 HB2 GLU 43 HB2 GLU 43 -12.670 13.816 23.597 318 HB3 GLU 43 HB1 GLU 43 -14.116 14.406 24.392 319 HG2 GLU 43 HG2 GLU 43 -11.978 16.093 23.092 320 HG3 GLU 43 HG1 GLU 43 -13.579 15.735 22.444 321 H LEU 44 HN LEU 44 -10.603 13.201 26.386 322 HA LEU 44 HA LEU 44 -8.401 12.951 26.462 323 HB2 LEU 44 HB2 LEU 44 -8.055 14.548 23.931 324 HB3 LEU 44 HB1 LEU 44 -7.170 13.194 24.560 325 HG LEU 44 HG LEU 44 -9.977 12.926 23.526 326 HD11 LEU 44 HD11 LEU 44 -8.461 13.612 21.740 327 HD12 LEU 44 HD12 LEU 44 -8.991 11.943 21.541 328 HD13 LEU 44 HD13 LEU 44 -7.372 12.288 22.152 329 HD21 LEU 44 HD21 LEU 44 -7.865 10.873 24.181 330 HD22 LEU 44 HD22 LEU 44 -9.460 10.539 23.510 331 HD23 LEU 44 HD23 LEU 44 -9.309 11.205 25.139 332 H GLY 45 HN GLY 45 -8.181 14.235 28.313 333 HA2 GLY 45 HA2 GLY 45 -8.065 17.032 28.371 334 HA3 GLY 45 HA1 GLY 45 -7.392 15.965 29.595 335 H ASP 46 HN ASP 46 -5.497 14.657 28.020 336 HA ASP 46 HA ASP 46 -3.727 16.851 27.214 337 HB2 ASP 46 HB2 ASP 46 -3.016 14.445 28.886 338 HB3 ASP 46 HB1 ASP 46 -1.809 15.453 28.095 339 H THR 47 HN THR 47 -2.089 16.334 25.727 340 HA THR 47 HA THR 47 -1.153 15.278 23.948 341 HB THR 47 HB THR 47 -2.858 12.917 24.725 342 HG1 THR 47 HG1 THR 47 -0.684 13.995 25.873 343 HG21 THR 47 HG21 THR 47 -2.104 12.827 22.407 344 HG22 THR 47 HG22 THR 47 -1.293 11.605 23.386 345 HG23 THR 47 HG23 THR 47 -0.437 13.079 22.922 346 H GLU 48 HN GLU 48 -4.672 14.698 24.200 347 HA GLU 48 HA GLU 48 -6.334 14.681 22.706 348 HB2 GLU 48 HB2 GLU 48 -4.553 16.694 21.348 349 HB3 GLU 48 HB1 GLU 48 -6.198 16.309 20.887 350 HG2 GLU 48 HG2 GLU 48 -7.018 17.047 23.043 351 HG3 GLU 48 HG1 GLU 48 -5.369 17.423 23.545 352 H THR 49 HN THR 49 -3.688 13.163 22.287 353 HA THR 49 HA THR 49 -2.834 11.555 20.956 354 HB THR 49 HB THR 49 -4.464 9.971 20.028 355 HG1 THR 49 HG1 THR 49 -6.103 11.112 19.172 356 HG21 THR 49 HG21 THR 49 -5.732 9.572 22.121 357 HG22 THR 49 HG22 THR 49 -5.266 11.181 22.682 358 HG23 THR 49 HG23 THR 49 -4.036 9.947 22.430 359 H MET 50 HN MET 50 -3.057 14.253 19.697 360 HA MET 50 HA MET 50 -3.017 15.335 17.719 361 HB2 MET 50 HB2 MET 50 -1.220 14.654 16.345 362 HB3 MET 50 HB1 MET 50 -0.793 14.270 17.994 363 HG2 MET 50 HG2 MET 50 -1.348 11.917 17.597 364 HG3 MET 50 HG1 MET 50 -1.758 12.305 15.928 365 HE1 MET 50 HE1 MET 50 0.215 10.019 16.700 366 HE2 MET 50 HE2 MET 50 1.565 10.271 15.597 367 HE3 MET 50 HE3 MET 50 -0.099 10.443 15.018 368 H ARG 51 HN ARG 51 -5.330 13.943 17.912 369 HA ARG 51 HA ARG 51 -5.941 12.319 15.674 370 HB2 ARG 51 HB2 ARG 51 -8.301 12.710 16.400 371 HB3 ARG 51 HB1 ARG 51 -7.236 12.078 17.648 372 HG2 ARG 51 HG2 ARG 51 -7.066 14.240 18.688 373 HG3 ARG 51 HG1 ARG 51 -7.978 14.993 17.369 374 HD2 ARG 51 HD2 ARG 51 -9.934 13.698 17.992 375 HD3 ARG 51 HD1 ARG 51 -9.008 12.881 19.250 376 HE ARG 51 HE ARG 51 -8.704 15.308 20.103 377 HH11 ARG 51 HH11 ARG 51 -11.585 14.009 18.605 378 HH12 ARG 51 HH12 ARG 51 -12.680 15.017 19.494 379 HH21 ARG 51 HH21 ARG 51 -10.167 16.612 21.350 380 HH22 ARG 51 HH22 ARG 51 -11.868 16.470 21.067 381 H THR 52 HN THR 52 -7.608 12.823 14.062 382 HA THR 52 HA THR 52 -8.596 14.033 12.399 383 HB THR 52 HB THR 52 -7.832 16.562 13.907 384 HG1 THR 52 HG1 THR 52 -9.014 15.516 15.386 385 HG21 THR 52 HG21 THR 52 -9.772 17.526 12.795 386 HG22 THR 52 HG22 THR 52 -10.142 15.977 12.043 387 HG23 THR 52 HG23 THR 52 -8.677 16.848 11.592 388 HA PRO 53 HA PRO 53 -5.004 14.878 9.839 389 HB2 PRO 53 HB2 PRO 53 -6.333 15.585 7.565 390 HB3 PRO 53 HB1 PRO 53 -6.167 13.906 8.095 391 HG2 PRO 53 HG2 PRO 53 -8.472 15.786 8.429 392 HG3 PRO 53 HG1 PRO 53 -8.485 14.072 7.973 393 HD2 PRO 53 HD2 PRO 53 -9.059 14.914 10.465 394 HD3 PRO 53 HD1 PRO 53 -8.251 13.366 10.158 395 H GLY 54 HN GLY 54 -6.663 17.052 11.371 396 HA2 GLY 54 HA2 GLY 54 -5.367 19.317 10.008 397 HA3 GLY 54 HA1 GLY 54 -7.012 19.451 10.614 398 H TYR 55 HN TYR 55 -5.017 17.472 12.501 399 HA TYR 55 HA TYR 55 -3.929 17.645 14.485 400 HB2 TYR 55 HB2 TYR 55 -3.843 20.611 13.879 401 HB3 TYR 55 HB1 TYR 55 -3.047 19.860 15.254 402 HD1 TYR 55 HD1 TYR 55 -3.012 20.283 11.617 403 HD2 TYR 55 HD2 TYR 55 -1.034 18.546 14.957 404 HE1 TYR 55 HE1 TYR 55 -1.038 19.869 10.221 405 HE2 TYR 55 HE2 TYR 55 0.946 18.129 13.570 406 HH TYR 55 HH TYR 55 1.419 19.540 10.561 407 H PHE 56 HN PHE 56 -6.482 20.004 14.006 408 HA PHE 56 HA PHE 56 -7.465 19.387 16.703 409 HB2 PHE 56 HB2 PHE 56 -7.513 22.075 15.314 410 HB3 PHE 56 HB1 PHE 56 -8.277 21.721 16.861 411 HD1 PHE 56 HD2 PHE 56 -6.872 21.202 18.832 412 HD2 PHE 56 HD1 PHE 56 -5.187 22.511 15.147 413 HE1 PHE 56 HE2 PHE 56 -4.777 21.751 19.992 414 HE2 PHE 56 HE1 PHE 56 -3.088 23.065 16.301 415 HZ PHE 56 HZ PHE 56 -2.883 22.687 18.728 416 H PHE 57 HN PHE 57 -9.751 19.582 16.952 417 HA PHE 57 HA PHE 57 -11.129 18.718 14.550 418 HB2 PHE 57 HB2 PHE 57 -12.921 18.002 16.125 419 HB3 PHE 57 HB1 PHE 57 -11.377 17.306 16.542 420 HD1 PHE 57 HD2 PHE 57 -10.085 18.364 18.407 421 HD2 PHE 57 HD1 PHE 57 -14.167 19.186 17.619 422 HE1 PHE 57 HE2 PHE 57 -10.351 19.171 20.672 423 HE2 PHE 57 HE1 PHE 57 -14.454 20.004 19.894 424 HZ PHE 57 HZ PHE 57 -12.535 20.006 21.455 425 H GLN 58 HN GLN 58 -12.409 19.990 13.414 426 HA GLN 58 HA GLN 58 -13.085 22.618 14.517 427 HB2 GLN 58 HB2 GLN 58 -11.838 22.561 12.387 428 HB3 GLN 58 HB1 GLN 58 -13.154 21.660 11.650 429 HG2 GLN 58 HG2 GLN 58 -13.292 23.963 10.997 430 HG3 GLN 58 HG1 GLN 58 -14.650 23.577 12.045 431 HE21 GLN 58 HE21 GLN 58 -11.651 25.301 11.765 432 HE22 GLN 58 HE22 GLN 58 -11.869 26.302 13.151 433 H GLN 59 HN GLN 59 -14.958 22.515 15.565 434 HA GLN 59 HA GLN 59 -17.329 22.105 14.079 435 HB2 GLN 59 HB2 GLN 59 -18.311 20.409 15.618 436 HB3 GLN 59 HB1 GLN 59 -16.974 19.786 14.669 437 HG2 GLN 59 HG2 GLN 59 -15.559 20.363 16.771 438 HG3 GLN 59 HG1 GLN 59 -17.117 20.343 17.600 439 HE21 GLN 59 HE21 GLN 59 -16.615 18.536 18.794 440 HE22 GLN 59 HE22 GLN 59 -16.493 16.952 18.101 441 H ALA 60 HN ALA 60 -19.073 23.102 15.054 442 HA ALA 60 HA ALA 60 -18.258 24.955 17.174 443 HB1 ALA 60 HB1 ALA 60 -19.970 26.472 16.315 444 HB2 ALA 60 HB2 ALA 60 -20.435 25.269 15.113 445 HB3 ALA 60 HB3 ALA 60 -18.830 25.997 15.053 446 HA PRO 61 HA PRO 61 -21.177 23.140 19.999 447 HB2 PRO 61 HB2 PRO 61 -21.270 25.220 21.768 448 HB3 PRO 61 HB1 PRO 61 -19.932 24.066 21.697 449 HG2 PRO 61 HG2 PRO 61 -20.133 26.807 20.517 450 HG3 PRO 61 HG1 PRO 61 -18.779 26.056 21.383 451 HD2 PRO 61 HD2 PRO 61 -18.825 26.235 18.702 452 HD3 PRO 61 HD1 PRO 61 -18.111 24.835 19.531 453 H ASN 62 HN ASN 62 -21.675 26.017 18.203 454 HA ASN 62 HA ASN 62 -24.404 26.409 19.157 455 HB2 ASN 62 HB2 ASN 62 -22.737 27.878 17.111 456 HB3 ASN 62 HB1 ASN 62 -24.415 28.278 17.454 457 HD21 ASN 62 HD21 ASN 62 -21.979 29.864 17.791 458 HD22 ASN 62 HD22 ASN 62 -21.931 30.315 19.458 459 H ARG 63 HN ARG 63 -22.970 24.367 17.065 460 HA ARG 63 HA ARG 63 -25.448 23.982 15.567 461 HB2 ARG 63 HB2 ARG 63 -22.691 24.300 14.473 462 HB3 ARG 63 HB1 ARG 63 -23.743 23.122 13.701 463 HG2 ARG 63 HG2 ARG 63 -24.484 26.006 14.130 464 HG3 ARG 63 HG1 ARG 63 -23.745 25.383 12.655 465 HD2 ARG 63 HD2 ARG 63 -25.618 23.870 12.306 466 HD3 ARG 63 HD1 ARG 63 -26.330 24.374 13.833 467 HE ARG 63 HE ARG 63 -25.951 26.631 12.175 468 HH11 ARG 63 HH11 ARG 63 -27.993 23.797 12.465 469 HH12 ARG 63 HH12 ARG 63 -29.361 24.532 11.719 470 HH21 ARG 63 HH21 ARG 63 -27.769 27.630 11.184 471 HH22 ARG 63 HH22 ARG 63 -29.236 26.736 10.991 472 H ARG 64 HN ARG 64 -24.745 21.745 14.159 473 HA ARG 64 HA ARG 64 -24.970 19.711 16.074 474 HB2 ARG 64 HB2 ARG 64 -24.173 19.576 13.162 475 HB3 ARG 64 HB1 ARG 64 -24.601 18.188 14.150 476 HG2 ARG 64 HG2 ARG 64 -26.852 19.112 14.461 477 HG3 ARG 64 HG1 ARG 64 -26.424 20.483 13.436 478 HD2 ARG 64 HD2 ARG 64 -26.342 17.600 12.568 479 HD3 ARG 64 HD1 ARG 64 -27.685 18.694 12.252 480 HE ARG 64 HE ARG 64 -25.546 20.018 11.229 481 HH11 ARG 64 HH11 ARG 64 -26.890 16.782 10.756 482 HH12 ARG 64 HH12 ARG 64 -26.319 16.628 9.126 483 HH21 ARG 64 HH21 ARG 64 -24.757 19.767 9.029 484 HH22 ARG 64 HH22 ARG 64 -25.099 18.299 8.164 485 H ARG 65 HN ARG 65 -23.432 18.317 16.916 486 HA ARG 65 HA ARG 65 -20.835 19.404 17.203 487 HB2 ARG 65 HB2 ARG 65 -21.817 16.635 17.861 488 HB3 ARG 65 HB1 ARG 65 -20.338 17.377 18.447 489 HG2 ARG 65 HG2 ARG 65 -23.114 18.380 19.023 490 HG3 ARG 65 HG1 ARG 65 -22.131 17.413 20.121 491 HD2 ARG 65 HD2 ARG 65 -20.425 19.208 20.080 492 HD3 ARG 65 HD1 ARG 65 -21.508 20.166 19.073 493 HE ARG 65 HE ARG 65 -21.934 19.448 21.882 494 HH11 ARG 65 HH11 ARG 65 -22.961 21.284 19.047 495 HH12 ARG 65 HH12 ARG 65 -23.958 22.353 19.966 496 HH21 ARG 65 HH21 ARG 65 -23.278 20.844 23.060 497 HH22 ARG 65 HH22 ARG 65 -24.162 22.092 22.251 498 H ILE 66 HN ILE 66 -22.179 16.778 15.322 499 HA ILE 66 HA ILE 66 -19.593 16.456 14.023 500 HB ILE 66 HB ILE 66 -20.517 14.382 14.811 501 HG12 ILE 66 HG12 ILE 66 -20.879 14.448 11.813 502 HG13 ILE 66 HG11 ILE 66 -19.317 14.398 12.613 503 HG21 ILE 66 HG21 ILE 66 -22.963 15.026 13.178 504 HG22 ILE 66 HG22 ILE 66 -22.851 14.928 14.934 505 HG23 ILE 66 HG23 ILE 66 -22.648 13.474 13.955 506 HD11 ILE 66 HD11 ILE 66 -19.918 12.197 11.879 507 HD12 ILE 66 HD12 ILE 66 -21.462 12.299 12.721 508 HD13 ILE 66 HD13 ILE 66 -19.958 12.242 13.642 509 H SER 67 HN SER 67 -19.242 17.277 12.120 510 HA SER 67 HA SER 67 -21.308 18.781 10.825 511 HB2 SER 67 HB2 SER 67 -18.413 18.342 10.100 512 HB3 SER 67 HB1 SER 67 -19.498 19.450 9.269 513 HG SER 67 HG SER 67 -19.315 19.667 12.042 514 H ARG 68 HN ARG 68 -20.192 15.660 10.608 515 HA ARG 68 HA ARG 68 -20.966 15.240 7.838 516 HB2 ARG 68 HB2 ARG 68 -19.776 13.528 9.995 517 HB3 ARG 68 HB1 ARG 68 -20.559 12.761 8.630 518 HG2 ARG 68 HG2 ARG 68 -18.154 12.878 8.304 519 HG3 ARG 68 HG1 ARG 68 -18.989 13.856 7.101 520 HD2 ARG 68 HD2 ARG 68 -18.090 15.208 9.590 521 HD3 ARG 68 HD1 ARG 68 -16.845 14.705 8.452 522 HE ARG 68 HE ARG 68 -18.985 16.130 7.178 523 HH11 ARG 68 HH11 ARG 68 -16.028 16.596 9.036 524 HH12 ARG 68 HH12 ARG 68 -15.696 18.148 8.355 525 HH21 ARG 68 HH21 ARG 68 -18.533 18.190 6.282 526 HH22 ARG 68 HH22 ARG 68 -17.116 19.050 6.787 527 H GLU 69 HN GLU 69 -22.734 13.850 7.252 528 HA GLU 69 HA GLU 69 -24.997 14.294 8.939 529 HB2 GLU 69 HB2 GLU 69 -24.794 12.671 6.402 530 HB3 GLU 69 HB1 GLU 69 -26.285 13.161 7.196 531 HG2 GLU 69 HG2 GLU 69 -24.235 14.947 5.949 532 HG3 GLU 69 HG1 GLU 69 -25.837 14.590 5.312 533 H HIS 70 HN HIS 70 -25.814 13.041 10.397 534 HA HIS 70 HA HIS 70 -25.028 10.212 10.449 535 HB2 HIS 70 HB2 HIS 70 -25.042 10.292 12.899 536 HB3 HIS 70 HB1 HIS 70 -23.903 11.462 12.251 537 HD2 HIS 70 HD2 HIS 70 -26.583 11.327 14.856 538 HE1 HIS 70 HE1 HIS 70 -26.321 15.407 13.745 539 HE2 HIS 70 HE2 HIS 70 -26.888 13.793 15.579 540 H GLY 71 HN GLY 71 -26.557 8.744 11.214 541 HA2 GLY 71 HA2 GLY 71 -29.321 9.724 10.996 542 HA3 GLY 71 HA1 GLY 71 -28.792 8.106 10.550 543 H ARG 72 HN ARG 72 -30.412 7.257 11.908 544 HA ARG 72 HA ARG 72 -30.557 7.826 14.698 545 HB2 ARG 72 HB2 ARG 72 -31.550 5.411 13.187 546 HB3 ARG 72 HB1 ARG 72 -32.034 5.875 14.807 547 HG2 ARG 72 HG2 ARG 72 -32.532 7.495 12.323 548 HG3 ARG 72 HG1 ARG 72 -33.699 6.428 13.092 549 HD2 ARG 72 HD2 ARG 72 -33.606 7.804 15.129 550 HD3 ARG 72 HD1 ARG 72 -32.453 8.879 14.335 551 HE ARG 72 HE ARG 72 -34.827 8.575 12.792 552 HH11 ARG 72 HH11 ARG 72 -33.551 10.265 15.603 553 HH12 ARG 72 HH12 ARG 72 -34.661 11.575 15.465 554 HH21 ARG 72 HH21 ARG 72 -36.278 10.321 12.615 555 HH22 ARG 72 HH22 ARG 72 -36.225 11.615 13.768 556 H THR 73 HN THR 73 -29.063 5.225 12.858 557 HA THR 73 HA THR 73 -27.559 4.533 15.267 558 HB THR 73 HB THR 73 -27.741 2.147 14.449 559 HG1 THR 73 HG1 THR 73 -29.478 1.676 13.089 560 HG21 THR 73 HG21 THR 73 -30.224 3.516 15.485 561 HG22 THR 73 HG22 THR 73 -28.870 2.945 16.461 562 HG23 THR 73 HG23 THR 73 -29.887 1.792 15.602 563 H TRP 74 HN TRP 74 -27.064 5.894 12.478 564 HA TRP 74 HA TRP 74 -24.568 4.461 11.963 565 HB2 TRP 74 HB2 TRP 74 -24.927 4.608 9.517 566 HB3 TRP 74 HB1 TRP 74 -26.130 3.590 10.299 567 HD1 TRP 74 HD1 TRP 74 -28.665 4.369 10.174 568 HE1 TRP 74 HE1 TRP 74 -29.888 6.174 8.805 569 HE3 TRP 74 HE3 TRP 74 -24.609 7.038 8.522 570 HZ2 TRP 74 HZ2 TRP 74 -29.225 8.434 7.235 571 HZ3 TRP 74 HZ3 TRP 74 -24.998 9.008 7.089 572 HH2 TRP 74 HH2 TRP 74 -27.247 9.690 6.465 573 H THR 75 HN THR 75 -22.904 5.753 11.142 574 HA THR 75 HA THR 75 -23.543 8.517 10.486 575 HB THR 75 HB THR 75 -22.931 8.508 12.919 576 HG1 THR 75 HG1 THR 75 -21.148 10.119 12.556 577 HG21 THR 75 HG21 THR 75 -21.268 6.697 12.932 578 HG22 THR 75 HG22 THR 75 -20.562 8.197 13.537 579 HG23 THR 75 HG23 THR 75 -20.208 7.664 11.900 580 H LYS 76 HN LYS 76 -22.112 9.519 9.085 581 HA LYS 76 HA LYS 76 -20.283 7.711 7.690 582 HB2 LYS 76 HB2 LYS 76 -21.814 8.946 6.254 583 HB3 LYS 76 HB1 LYS 76 -21.319 10.472 6.940 584 HG2 LYS 76 HG2 LYS 76 -19.102 10.202 6.007 585 HG3 LYS 76 HG1 LYS 76 -19.609 8.665 5.289 586 HD2 LYS 76 HD2 LYS 76 -21.325 9.818 4.011 587 HD3 LYS 76 HD1 LYS 76 -20.863 11.354 4.745 588 HE2 LYS 76 HE2 LYS 76 -18.904 9.663 3.321 589 HE3 LYS 76 HE1 LYS 76 -19.939 10.756 2.396 590 HZ1 LYS 76 HZ1 LYS 76 -17.853 11.843 2.871 591 HZ2 LYS 76 HZ2 LYS 76 -17.965 11.505 4.522 592 HZ3 LYS 76 HZ3 LYS 76 -19.048 12.586 3.801 593 H LEU 77 HN LEU 77 -18.322 7.626 8.519 594 HA LEU 77 HA LEU 77 -17.199 10.056 9.696 595 HB2 LEU 77 HB2 LEU 77 -16.271 7.197 9.914 596 HB3 LEU 77 HB1 LEU 77 -15.532 8.569 10.723 597 HG LEU 77 HG LEU 77 -18.320 7.519 11.201 598 HD11 LEU 77 HD11 LEU 77 -17.477 6.870 13.386 599 HD12 LEU 77 HD12 LEU 77 -15.862 7.431 12.933 600 HD13 LEU 77 HD13 LEU 77 -16.587 6.066 12.092 601 HD21 LEU 77 HD21 LEU 77 -18.258 9.921 11.497 602 HD22 LEU 77 HD22 LEU 77 -16.824 9.789 12.509 603 HD23 LEU 77 HD23 LEU 77 -18.364 9.128 13.066 604 H THR 78 HN THR 78 -15.907 11.213 8.529 605 HA THR 78 HA THR 78 -14.431 9.946 6.326 606 HB THR 78 HB THR 78 -15.200 12.859 6.647 607 HG1 THR 78 HG1 THR 78 -16.768 10.865 6.157 608 HG21 THR 78 HG21 THR 78 -13.240 12.450 5.206 609 HG22 THR 78 HG22 THR 78 -14.625 13.008 4.265 610 HG23 THR 78 HG23 THR 78 -14.184 11.302 4.257 611 H TYR 79 HN TYR 79 -12.276 9.792 6.629 612 HA TYR 79 HA TYR 79 -11.058 11.495 8.725 613 HB2 TYR 79 HB2 TYR 79 -10.093 8.848 7.642 614 HB3 TYR 79 HB1 TYR 79 -9.381 9.763 8.967 615 HD1 TYR 79 HD2 TYR 79 -10.749 10.088 11.070 616 HD2 TYR 79 HD1 TYR 79 -11.852 7.332 8.023 617 HE1 TYR 79 HE2 TYR 79 -12.202 8.917 12.663 618 HE2 TYR 79 HE1 TYR 79 -13.310 6.157 9.609 619 HH TYR 79 HH TYR 79 -13.513 5.865 12.037 620 H ALA 80 HN ALA 80 -11.195 11.062 5.393 621 HA ALA 80 HA ALA 80 -10.109 12.017 3.641 622 HB1 ALA 80 HB1 ALA 80 -8.587 13.872 3.978 623 HB2 ALA 80 HB2 ALA 80 -8.433 13.463 5.686 624 HB3 ALA 80 HB3 ALA 80 -9.980 14.033 5.050 625 H ASN 81 HN ASN 81 -8.282 10.411 6.077 626 HA ASN 81 HA ASN 81 -6.143 9.818 4.155 627 HB2 ASN 81 HB2 ASN 81 -6.225 9.598 7.162 628 HB3 ASN 81 HB1 ASN 81 -4.910 8.973 6.184 629 HD21 ASN 81 HD21 ASN 81 -3.410 10.327 7.116 630 HD22 ASN 81 HD22 ASN 81 -3.352 12.020 6.814 631 H HIS 82 HN HIS 82 -5.747 7.794 3.515 632 HA HIS 82 HA HIS 82 -7.803 5.873 3.730 633 HB2 HIS 82 HB2 HIS 82 -6.436 4.469 2.323 634 HB3 HIS 82 HB1 HIS 82 -6.317 6.123 1.741 635 HD2 HIS 82 HD2 HIS 82 -4.059 3.264 2.931 636 HE1 HIS 82 HE1 HIS 82 -1.608 6.712 2.591 637 HE2 HIS 82 HE2 HIS 82 -1.673 4.262 3.124 638 H SER 83 HN SER 83 -4.778 6.332 5.422 639 HA SER 83 HA SER 83 -4.456 3.786 6.529 640 HB2 SER 83 HB2 SER 83 -3.738 6.422 7.822 641 HB3 SER 83 HB1 SER 83 -2.958 4.855 8.068 642 HG SER 83 HG SER 83 -2.064 4.970 6.078 643 H SER 84 HN SER 84 -6.090 6.672 7.812 644 HA SER 84 HA SER 84 -7.001 5.485 10.198 645 HB2 SER 84 HB2 SER 84 -8.196 7.829 8.708 646 HB3 SER 84 HB1 SER 84 -8.362 7.471 10.428 647 HG SER 84 HG SER 84 -6.434 8.268 10.792 648 H TYR 85 HN TYR 85 -8.320 5.799 6.980 649 HA TYR 85 HA TYR 85 -10.962 5.011 7.370 650 HB2 TYR 85 HB2 TYR 85 -10.234 5.980 5.296 651 HB3 TYR 85 HB1 TYR 85 -9.042 4.717 5.059 652 HD1 TYR 85 HD1 TYR 85 -12.581 5.596 4.787 653 HD2 TYR 85 HD2 TYR 85 -9.685 2.550 4.171 654 HE1 TYR 85 HE1 TYR 85 -14.183 4.362 3.384 655 HE2 TYR 85 HE2 TYR 85 -11.267 1.306 2.774 656 HH TYR 85 HH TYR 85 -14.198 2.696 1.624 657 H LEU 86 HN LEU 86 -8.113 3.033 6.509 658 HA LEU 86 HA LEU 86 -9.526 0.617 6.450 659 HB2 LEU 86 HB2 LEU 86 -7.441 1.087 5.240 660 HB3 LEU 86 HB1 LEU 86 -6.581 1.124 6.768 661 HG LEU 86 HG LEU 86 -7.256 -1.201 7.142 662 HD11 LEU 86 HD11 LEU 86 -8.213 -1.011 4.298 663 HD12 LEU 86 HD12 LEU 86 -9.213 -1.314 5.720 664 HD13 LEU 86 HD13 LEU 86 -8.030 -2.518 5.196 665 HD21 LEU 86 HD21 LEU 86 -5.712 -0.670 4.627 666 HD22 LEU 86 HD22 LEU 86 -5.654 -2.164 5.573 667 HD23 LEU 86 HD23 LEU 86 -5.063 -0.652 6.268 668 H ARG 87 HN ARG 87 -7.546 2.206 8.936 669 HA ARG 87 HA ARG 87 -7.531 0.013 10.732 670 HB2 ARG 87 HB2 ARG 87 -7.135 2.966 11.221 671 HB3 ARG 87 HB1 ARG 87 -6.935 1.745 12.464 672 HG2 ARG 87 HG2 ARG 87 -5.359 1.875 9.897 673 HG3 ARG 87 HG1 ARG 87 -4.804 2.467 11.463 674 HD2 ARG 87 HD2 ARG 87 -5.524 -0.389 10.798 675 HD3 ARG 87 HD1 ARG 87 -3.889 0.252 10.948 676 HE ARG 87 HE ARG 87 -5.564 0.582 13.291 677 HH11 ARG 87 HH11 ARG 87 -3.153 -1.411 11.675 678 HH12 ARG 87 HH12 ARG 87 -2.691 -2.237 13.116 679 HH21 ARG 87 HH21 ARG 87 -4.946 -0.543 15.198 680 HH22 ARG 87 HH22 ARG 87 -3.700 -1.738 15.122 681 H ALA 88 HN ALA 88 -9.722 2.758 10.367 682 HA ALA 88 HA ALA 88 -11.268 2.051 12.687 683 HB1 ALA 88 HB1 ALA 88 -12.765 3.847 11.989 684 HB2 ALA 88 HB2 ALA 88 -11.902 3.973 10.454 685 HB3 ALA 88 HB3 ALA 88 -11.083 4.383 11.960 686 H LEU 89 HN LEU 89 -11.100 0.959 9.501 687 HA LEU 89 HA LEU 89 -13.767 0.363 8.886 688 HB2 LEU 89 HB2 LEU 89 -11.902 0.315 7.273 689 HB3 LEU 89 HB1 LEU 89 -11.245 -1.094 8.084 690 HG LEU 89 HG LEU 89 -13.380 -2.295 7.474 691 HD11 LEU 89 HD11 LEU 89 -14.750 -0.311 7.049 692 HD12 LEU 89 HD12 LEU 89 -14.693 -1.372 5.645 693 HD13 LEU 89 HD13 LEU 89 -13.714 0.099 5.680 694 HD21 LEU 89 HD21 LEU 89 -11.295 -2.670 6.281 695 HD22 LEU 89 HD22 LEU 89 -11.630 -1.285 5.241 696 HD23 LEU 89 HD23 LEU 89 -12.666 -2.711 5.172 697 H ARG 90 HN ARG 90 -11.254 -1.494 10.548 698 HA ARG 90 HA ARG 90 -11.270 -3.442 11.713 699 HB2 ARG 90 HB2 ARG 90 -13.763 -2.056 12.627 700 HB3 ARG 90 HB1 ARG 90 -13.356 -3.641 13.266 701 HG2 ARG 90 HG2 ARG 90 -11.525 -1.250 13.391 702 HG3 ARG 90 HG1 ARG 90 -12.614 -1.747 14.692 703 HD2 ARG 90 HD2 ARG 90 -11.500 -3.944 14.744 704 HD3 ARG 90 HD1 ARG 90 -10.372 -3.390 13.511 705 HE ARG 90 HE ARG 90 -10.144 -1.557 15.519 706 HH11 ARG 90 HH11 ARG 90 -9.835 -5.043 15.308 707 HH12 ARG 90 HH12 ARG 90 -8.682 -5.162 16.586 708 HH21 ARG 90 HH21 ARG 90 -8.583 -1.696 17.224 709 HH22 ARG 90 HH22 ARG 90 -7.957 -3.246 17.672 710 H GLU 91 HN GLU 91 -14.570 -4.063 12.035 711 HA GLU 91 HA GLU 91 -15.909 -5.748 11.340 712 HB2 GLU 91 HB2 GLU 91 -15.908 -4.213 9.336 713 HB3 GLU 91 HB1 GLU 91 -14.694 -5.253 8.612 714 HG2 GLU 91 HG2 GLU 91 -16.941 -5.727 7.766 715 HG3 GLU 91 HG1 GLU 91 -16.237 -7.114 8.596 716 H HIS 92 HN HIS 92 -13.169 -6.411 12.206 717 HA HIS 92 HA HIS 92 -12.874 -9.031 10.890 718 HB2 HIS 92 HB2 HIS 92 -10.828 -7.168 12.043 719 HB3 HIS 92 HB1 HIS 92 -10.508 -8.898 12.024 720 HD2 HIS 92 HD2 HIS 92 -11.074 -5.986 9.431 721 HE1 HIS 92 HE1 HIS 92 -9.113 -9.212 7.507 722 HE2 HIS 92 HE2 HIS 92 -9.743 -6.787 7.364 723 H GLY 93 HN GLY 93 -14.804 -8.835 12.774 724 HA2 GLY 93 HA2 GLY 93 -15.435 -10.260 14.513 725 HA3 GLY 93 HA1 GLY 93 -13.737 -10.565 14.856 726 H THR 94 HN THR 94 -15.258 -7.433 14.512 727 HA THR 94 HA THR 94 -14.270 -6.730 17.149 728 HB THR 94 HB THR 94 -15.565 -4.974 15.051 729 HG1 THR 94 HG1 THR 94 -12.988 -5.980 15.379 730 HG21 THR 94 HG21 THR 94 -13.859 -4.290 17.461 731 HG22 THR 94 HG22 THR 94 -15.596 -4.027 17.326 732 HG23 THR 94 HG23 THR 94 -14.489 -3.140 16.280 733 H ILE 95 HN ILE 95 -15.601 -7.348 18.718 734 HA ILE 95 HA ILE 95 -18.461 -6.751 18.434 735 HB ILE 95 HB ILE 95 -17.065 -8.780 20.191 736 HG12 ILE 95 HG12 ILE 95 -19.208 -9.142 18.097 737 HG13 ILE 95 HG11 ILE 95 -17.484 -9.333 17.775 738 HG21 ILE 95 HG21 ILE 95 -19.968 -7.958 20.200 739 HG22 ILE 95 HG22 ILE 95 -18.816 -7.803 21.525 740 HG23 ILE 95 HG23 ILE 95 -19.336 -9.402 20.988 741 HD11 ILE 95 HD11 ILE 95 -17.396 -11.161 19.380 742 HD12 ILE 95 HD12 ILE 95 -18.581 -11.475 18.111 743 HD13 ILE 95 HD13 ILE 95 -19.114 -10.952 19.712 744 H TYR 96 HN TYR 96 -19.262 -5.165 19.562 745 HA TYR 96 HA TYR 96 -17.727 -4.207 21.863 746 HB2 TYR 96 HB2 TYR 96 -17.743 -2.846 19.626 747 HB3 TYR 96 HB1 TYR 96 -19.354 -2.365 20.153 748 HD1 TYR 96 HD1 TYR 96 -15.773 -2.295 20.993 749 HD2 TYR 96 HD2 TYR 96 -19.641 -0.788 21.920 750 HE1 TYR 96 HE1 TYR 96 -14.755 -0.597 22.432 751 HE2 TYR 96 HE2 TYR 96 -18.622 0.922 23.364 752 HH TYR 96 HH TYR 96 -16.572 1.257 24.589 753 H CYS 97 HN CYS 97 -18.853 -4.196 23.693 754 HA CYS 97 HA CYS 97 -20.540 -4.242 25.197 755 HB2 CYS 97 HB2 CYS 97 -21.972 -2.724 23.016 756 HB3 CYS 97 HB1 CYS 97 -22.641 -2.973 24.627 757 HG CYS 97 HG CYS 97 -21.479 -0.971 25.728 758 H GLY 98 HN GLY 98 -20.284 -6.399 23.107 759 HA2 GLY 98 HA2 GLY 98 -21.356 -8.517 23.379 760 HA3 GLY 98 HA1 GLY 98 -22.839 -7.679 23.784 761 H ALA 99 HN ALA 99 -21.865 -5.973 21.225 762 HA ALA 99 HA ALA 99 -22.975 -7.867 19.265 763 HB1 ALA 99 HB1 ALA 99 -24.253 -6.023 18.271 764 HB2 ALA 99 HB2 ALA 99 -23.743 -4.978 19.600 765 HB3 ALA 99 HB3 ALA 99 -24.761 -6.383 19.923 766 H ALA 100 HN ALA 100 -22.172 -7.716 17.199 767 HA ALA 100 HA ALA 100 -19.625 -6.411 16.942 768 HB1 ALA 100 HB1 ALA 100 -20.032 -8.619 15.945 769 HB2 ALA 100 HB2 ALA 100 -19.568 -7.432 14.723 770 HB3 ALA 100 HB3 ALA 100 -21.253 -7.911 14.887 771 H ILE 101 HN ILE 101 -19.219 -4.495 16.054 772 HA ILE 101 HA ILE 101 -21.460 -2.935 15.087 773 HB ILE 101 HB ILE 101 -19.888 -1.034 14.985 774 HG12 ILE 101 HG12 ILE 101 -17.836 -2.945 16.127 775 HG13 ILE 101 HG11 ILE 101 -17.846 -2.370 14.463 776 HG21 ILE 101 HG21 ILE 101 -19.848 -2.528 17.607 777 HG22 ILE 101 HG22 ILE 101 -21.109 -1.433 17.039 778 HG23 ILE 101 HG23 ILE 101 -19.500 -0.808 17.403 779 HD11 ILE 101 HD11 ILE 101 -16.255 -1.133 15.838 780 HD12 ILE 101 HD12 ILE 101 -17.568 -0.643 16.915 781 HD13 ILE 101 HD13 ILE 101 -17.545 -0.085 15.247 782 H GLY 102 HN GLY 102 -21.519 -1.914 13.051 783 HA2 GLY 102 HA2 GLY 102 -20.021 -3.455 11.053 784 HA3 GLY 102 HA1 GLY 102 -21.621 -2.775 10.794 785 H CYS 103 HN CYS 103 -18.297 -2.315 10.470 786 HA CYS 103 HA CYS 103 -18.724 0.475 9.648 787 HB2 CYS 103 HB2 CYS 103 -16.105 -0.942 10.205 788 HB3 CYS 103 HB1 CYS 103 -16.308 0.766 9.841 789 HG CYS 103 HG CYS 103 -15.732 0.796 12.457 790 H VAL 104 HN VAL 104 -19.252 0.434 7.559 791 HA VAL 104 HA VAL 104 -17.762 -1.413 5.816 792 HB VAL 104 HB VAL 104 -19.709 -1.533 4.353 793 HG11 VAL 104 HG11 VAL 104 -20.424 -2.112 7.218 794 HG12 VAL 104 HG12 VAL 104 -19.540 -3.178 6.124 795 HG13 VAL 104 HG13 VAL 104 -21.227 -2.787 5.800 796 HG21 VAL 104 HG21 VAL 104 -21.045 0.263 6.374 797 HG22 VAL 104 HG22 VAL 104 -21.870 -0.565 5.054 798 HG23 VAL 104 HG23 VAL 104 -20.657 0.663 4.700 799 HA PRO 105 HA PRO 105 -16.484 1.980 3.252 800 HB2 PRO 105 HB2 PRO 105 -17.400 0.531 0.853 801 HB3 PRO 105 HB1 PRO 105 -15.766 1.029 1.302 802 HG2 PRO 105 HG2 PRO 105 -16.533 -1.550 1.357 803 HG3 PRO 105 HG1 PRO 105 -15.377 -0.883 2.528 804 HD2 PRO 105 HD2 PRO 105 -18.285 -1.492 2.852 805 HD3 PRO 105 HD1 PRO 105 -16.949 -1.733 3.995 806 H TYR 106 HN TYR 106 -17.351 3.709 2.006 807 HA TYR 106 HA TYR 106 -20.062 4.227 2.525 808 HB2 TYR 106 HB2 TYR 106 -18.440 6.035 2.307 809 HB3 TYR 106 HB1 TYR 106 -18.193 5.636 0.609 810 HD1 TYR 106 HD1 TYR 106 -20.671 6.923 3.040 811 HD2 TYR 106 HD2 TYR 106 -19.659 6.463 -1.065 812 HE1 TYR 106 HE1 TYR 106 -22.506 8.445 2.432 813 HE2 TYR 106 HE2 TYR 106 -21.492 7.981 -1.693 814 HH TYR 106 HH TYR 106 -23.136 9.925 0.542 815 H LYS 107 HN LYS 107 -21.816 3.627 1.534 816 HA LYS 107 HA LYS 107 -21.773 3.060 -1.347 817 HB2 LYS 107 HB2 LYS 107 -23.142 1.456 0.822 818 HB3 LYS 107 HB1 LYS 107 -23.462 1.256 -0.893 819 HG2 LYS 107 HG2 LYS 107 -21.129 0.609 -1.245 820 HG3 LYS 107 HG1 LYS 107 -20.830 0.792 0.484 821 HD2 LYS 107 HD2 LYS 107 -22.459 -0.961 0.968 822 HD3 LYS 107 HD1 LYS 107 -22.808 -1.120 -0.754 823 HE2 LYS 107 HE2 LYS 107 -20.495 -1.792 -1.158 824 HE3 LYS 107 HE1 LYS 107 -20.140 -1.631 0.562 825 HZ1 LYS 107 HZ1 LYS 107 -21.777 -3.368 0.999 826 HZ2 LYS 107 HZ2 LYS 107 -20.547 -3.924 -0.020 827 HZ3 LYS 107 HZ3 LYS 107 -22.062 -3.538 -0.659 828 H HIS 108 HN HIS 108 -23.326 4.128 -2.417 829 HA HIS 108 HA HIS 108 -24.891 6.049 -1.050 830 HB2 HIS 108 HB2 HIS 108 -24.081 6.393 -3.366 831 HB3 HIS 108 HB1 HIS 108 -25.176 5.128 -3.916 832 HD2 HIS 108 HD2 HIS 108 -25.397 8.780 -2.471 833 HE1 HIS 108 HE1 HIS 108 -29.089 7.784 -4.304 834 HE2 HIS 108 HE2 HIS 108 -27.842 9.481 -2.930 835 H GLU 109 HN GLU 109 -25.700 2.948 -2.542 836 HA GLU 109 HA GLU 109 -28.497 3.158 -2.215 837 HB2 GLU 109 HB2 GLU 109 -27.414 1.569 -3.752 838 HB3 GLU 109 HB1 GLU 109 -26.787 0.671 -2.375 839 HG2 GLU 109 HG2 GLU 109 -29.090 0.201 -1.665 840 HG3 GLU 109 HG1 GLU 109 -29.687 1.065 -3.078 841 H LEU 110 HN LEU 110 -25.923 2.005 -0.149 842 HA LEU 110 HA LEU 110 -27.499 0.759 1.810 843 HB2 LEU 110 HB2 LEU 110 -25.055 0.492 1.652 844 HB3 LEU 110 HB1 LEU 110 -24.845 2.161 2.131 845 HG LEU 110 HG LEU 110 -25.942 1.612 4.309 846 HD11 LEU 110 HD11 LEU 110 -26.097 -0.743 4.958 847 HD12 LEU 110 HD12 LEU 110 -25.674 -1.221 3.317 848 HD13 LEU 110 HD13 LEU 110 -27.183 -0.353 3.627 849 HD21 LEU 110 HD21 LEU 110 -23.993 0.505 5.248 850 HD22 LEU 110 HD22 LEU 110 -23.518 1.733 4.080 851 HD23 LEU 110 HD23 LEU 110 -23.470 0.024 3.636 852 H ILE 111 HN ILE 111 -26.427 4.105 1.381 853 HA ILE 111 HA ILE 111 -27.331 5.128 3.834 854 HB ILE 111 HB ILE 111 -27.230 6.590 1.183 855 HG12 ILE 111 HG12 ILE 111 -25.063 5.557 1.686 856 HG13 ILE 111 HG11 ILE 111 -24.976 7.302 1.853 857 HG21 ILE 111 HG21 ILE 111 -26.947 8.605 2.570 858 HG22 ILE 111 HG22 ILE 111 -27.181 7.620 4.017 859 HG23 ILE 111 HG23 ILE 111 -28.493 7.806 2.856 860 HD11 ILE 111 HD11 ILE 111 -25.244 5.346 4.123 861 HD12 ILE 111 HD12 ILE 111 -25.093 7.099 4.266 862 HD13 ILE 111 HD13 ILE 111 -23.758 6.149 3.615 863 H SER 112 HN SER 112 -28.951 4.823 0.691 864 HA SER 112 HA SER 112 -31.372 6.006 1.409 865 HB2 SER 112 HB2 SER 112 -30.889 3.750 -0.549 866 HB3 SER 112 HB1 SER 112 -32.327 4.772 -0.493 867 HG SER 112 HG SER 112 -30.579 5.332 -2.038 868 H GLU 113 HN GLU 113 -30.262 2.651 1.698 869 HA GLU 113 HA GLU 113 -32.690 1.601 2.716 870 HB2 GLU 113 HB2 GLU 113 -30.847 0.226 1.774 871 HB3 GLU 113 HB1 GLU 113 -29.863 0.623 3.177 872 HG2 GLU 113 HG2 GLU 113 -30.772 -1.564 3.477 873 HG3 GLU 113 HG1 GLU 113 -31.560 -0.470 4.610 874 H LEU 114 HN LEU 114 -29.789 2.882 4.270 875 HA LEU 114 HA LEU 114 -30.494 2.344 6.920 876 HB2 LEU 114 HB2 LEU 114 -28.704 4.447 5.763 877 HB3 LEU 114 HB1 LEU 114 -28.833 4.097 7.476 878 HG LEU 114 HG LEU 114 -27.849 2.211 5.340 879 HD11 LEU 114 HD11 LEU 114 -26.435 3.599 7.584 880 HD12 LEU 114 HD12 LEU 114 -26.298 3.986 5.866 881 HD13 LEU 114 HD13 LEU 114 -25.715 2.434 6.469 882 HD21 LEU 114 HD21 LEU 114 -27.279 0.726 7.218 883 HD22 LEU 114 HD22 LEU 114 -29.015 0.960 7.051 884 HD23 LEU 114 HD23 LEU 114 -28.123 1.812 8.319 885 H SER 115 HN SER 115 -31.122 5.149 4.863 886 HA SER 115 HA SER 115 -32.261 6.692 6.953 887 HB2 SER 115 HB2 SER 115 -33.102 8.114 5.022 888 HB3 SER 115 HB1 SER 115 -31.357 7.904 5.136 889 HG SER 115 HG SER 115 -31.396 6.529 3.446 890 H ARG 116 HN ARG 116 -33.491 4.108 5.074 891 HA ARG 116 HA ARG 116 -36.261 4.832 5.210 892 HB2 ARG 116 HB2 ARG 116 -34.907 2.165 4.781 893 HB3 ARG 116 HB1 ARG 116 -36.640 2.404 4.690 894 HG2 ARG 116 HG2 ARG 116 -36.386 3.898 2.818 895 HG3 ARG 116 HG1 ARG 116 -34.626 3.791 2.946 896 HD2 ARG 116 HD2 ARG 116 -35.375 2.333 1.177 897 HD3 ARG 116 HD1 ARG 116 -34.784 1.358 2.519 898 HE ARG 116 HE ARG 116 -37.620 1.829 2.576 899 HH11 ARG 116 HH11 ARG 116 -35.055 -0.281 1.456 900 HH12 ARG 116 HH12 ARG 116 -36.100 -1.621 1.155 901 HH21 ARG 116 HH21 ARG 116 -39.026 0.071 2.156 902 HH22 ARG 116 HH22 ARG 116 -38.387 -1.418 1.554 903 H GLU 117 HN GLU 117 -34.242 2.554 7.045 904 HA GLU 117 HA GLU 117 -36.293 2.065 8.990 905 HB2 GLU 117 HB2 GLU 117 -34.561 0.363 8.407 906 HB3 GLU 117 HB1 GLU 117 -33.347 1.410 9.126 907 HG2 GLU 117 HG2 GLU 117 -34.467 1.197 11.299 908 HG3 GLU 117 HG1 GLU 117 -35.651 0.118 10.566 909 H GLY 118 HN GLY 118 -33.429 3.903 8.762 910 HA2 GLY 118 HA2 GLY 118 -33.908 5.139 11.378 911 HA3 GLY 118 HA1 GLY 118 -32.393 5.198 10.486 912 H HIS 119 HN HIS 119 -35.777 6.023 9.910 913 HA HIS 119 HA HIS 119 -35.258 8.047 8.037 914 HB2 HIS 119 HB2 HIS 119 -37.455 6.775 8.618 915 HB3 HIS 119 HB1 HIS 119 -37.689 8.064 9.788 916 HD2 HIS 119 HD2 HIS 119 -38.333 7.359 6.137 917 HE1 HIS 119 HE1 HIS 119 -38.612 11.565 6.591 918 HE2 HIS 119 HE2 HIS 119 -39.298 9.565 5.223 919 H HIS 120 HN HIS 120 -34.575 10.057 8.290 920 HA HIS 120 HA HIS 120 -34.833 11.316 10.925 921 HB2 HIS 120 HB2 HIS 120 -32.523 12.112 10.871 922 HB3 HIS 120 HB1 HIS 120 -32.564 10.361 10.787 923 HD2 HIS 120 HD2 HIS 120 -32.567 9.701 7.707 924 HE1 HIS 120 HE1 HIS 120 -29.545 12.632 7.251 925 HE2 HIS 120 HE2 HIS 120 -31.040 10.982 6.087 926 H HIS 121 HN HIS 121 -34.340 11.754 7.455 927 HA HIS 121 HA HIS 121 -35.575 14.379 7.642 928 HB2 HIS 121 HB2 HIS 121 -32.808 13.844 6.607 929 HB3 HIS 121 HB1 HIS 121 -33.769 15.131 5.900 930 HD2 HIS 121 HD2 HIS 121 -32.030 14.296 9.327 931 HE1 HIS 121 HE1 HIS 121 -32.974 18.423 9.217 932 HE2 HIS 121 HE2 HIS 121 -31.720 16.622 10.425 933 H HIS 122 HN HIS 122 -36.372 15.130 5.608 934 HA HIS 122 HA HIS 122 -37.124 12.995 3.801 935 HB2 HIS 122 HB2 HIS 122 -37.686 15.979 3.679 936 HB3 HIS 122 HB1 HIS 122 -38.382 14.772 2.609 937 HD2 HIS 122 HD2 HIS 122 -40.271 13.019 3.911 938 HE1 HIS 122 HE1 HIS 122 -40.879 15.698 7.144 939 HE2 HIS 122 HE2 HIS 122 -41.557 13.513 6.100 940 H HIS 123 HN HIS 123 -36.409 12.802 1.690 941 HA HIS 123 HA HIS 123 -35.112 13.053 -0.167 942 HB2 HIS 123 HB2 HIS 123 -35.631 15.450 -0.159 943 HB3 HIS 123 HB1 HIS 123 -34.360 15.741 1.022 944 HD2 HIS 123 HD2 HIS 123 -34.672 14.773 -2.777 945 HE1 HIS 123 HE1 HIS 123 -30.799 16.329 -2.040 946 HE2 HIS 123 HE2 HIS 123 -32.490 15.706 -3.791 947 H HIS 124 HN HIS 124 -33.592 13.819 2.912 948 HA HIS 124 HA HIS 124 -31.053 12.714 1.961 949 HB2 HIS 124 HB2 HIS 124 -31.751 14.120 4.552 950 HB3 HIS 124 HB1 HIS 124 -30.151 13.522 4.134 951 HD2 HIS 124 HD2 HIS 124 -28.980 14.931 1.862 952 HE1 HIS 124 HE1 HIS 124 -31.435 18.334 2.443 953 HE2 HIS 124 HE2 HIS 124 -29.515 17.352 1.150 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -14.187 -8.701 -6.987 2 H2 MET 1 HT2 MET 1 -14.362 -10.339 -6.631 3 H3 MET 1 HT3 MET 1 -14.498 -9.193 -5.401 4 HA MET 1 HA MET 1 -16.317 -9.541 -7.705 5 HB2 MET 1 HB2 MET 1 -16.664 -10.128 -4.763 6 HB3 MET 1 HB1 MET 1 -18.012 -10.025 -5.881 7 HG2 MET 1 HG2 MET 1 -17.067 -11.875 -7.177 8 HG3 MET 1 HG1 MET 1 -15.733 -11.982 -6.032 9 HE1 MET 1 HE1 MET 1 -17.984 -15.181 -5.379 10 HE2 MET 1 HE2 MET 1 -16.410 -14.606 -5.930 11 HE3 MET 1 HE3 MET 1 -17.841 -14.355 -6.931 12 H SER 2 HN SER 2 -15.664 -7.676 -4.717 13 HA SER 2 HA SER 2 -17.797 -5.868 -5.299 14 HB2 SER 2 HB2 SER 2 -16.743 -4.545 -3.387 15 HB3 SER 2 HB1 SER 2 -17.307 -6.167 -2.997 16 HG SER 2 HG SER 2 -15.164 -5.573 -2.210 17 H LEU 3 HN LEU 3 -17.673 -3.787 -6.090 18 HA LEU 3 HA LEU 3 -15.344 -3.275 -7.734 19 HB2 LEU 3 HB2 LEU 3 -18.024 -1.899 -7.562 20 HB3 LEU 3 HB1 LEU 3 -16.723 -1.344 -8.593 21 HG LEU 3 HG LEU 3 -16.831 -3.633 -9.725 22 HD11 LEU 3 HD11 LEU 3 -19.461 -3.754 -8.260 23 HD12 LEU 3 HD12 LEU 3 -18.079 -4.821 -8.013 24 HD13 LEU 3 HD13 LEU 3 -18.945 -4.842 -9.549 25 HD21 LEU 3 HD21 LEU 3 -19.197 -1.773 -9.910 26 HD22 LEU 3 HD22 LEU 3 -18.746 -2.977 -11.117 27 HD23 LEU 3 HD23 LEU 3 -17.671 -1.621 -10.781 28 H GLY 4 HN GLY 4 -13.852 -2.765 -6.120 29 HA2 GLY 4 HA2 GLY 4 -14.314 -0.625 -4.290 30 HA3 GLY 4 HA1 GLY 4 -12.767 -1.395 -4.628 31 H SER 5 HN SER 5 -14.452 1.421 -4.858 32 HA SER 5 HA SER 5 -12.577 2.425 -6.854 33 HB2 SER 5 HB2 SER 5 -14.472 3.915 -7.694 34 HB3 SER 5 HB1 SER 5 -14.567 2.211 -8.133 35 HG SER 5 HG SER 5 -16.075 1.910 -6.476 36 H GLU 6 HN GLU 6 -11.815 4.454 -6.492 37 HA GLU 6 HA GLU 6 -12.308 5.526 -3.833 38 HB2 GLU 6 HB2 GLU 6 -10.186 6.124 -5.896 39 HB3 GLU 6 HB1 GLU 6 -10.267 6.856 -4.305 40 HG2 GLU 6 HG2 GLU 6 -9.947 3.908 -4.808 41 HG3 GLU 6 HG1 GLU 6 -8.617 5.022 -4.499 42 H SER 7 HN SER 7 -13.450 5.882 -6.830 43 HA SER 7 HA SER 7 -13.437 8.668 -7.251 44 HB2 SER 7 HB2 SER 7 -15.278 8.051 -8.919 45 HB3 SER 7 HB1 SER 7 -13.694 7.308 -9.161 46 HG SER 7 HG SER 7 -15.969 6.055 -8.910 47 H GLU 8 HN GLU 8 -15.649 6.486 -5.818 48 HA GLU 8 HA GLU 8 -17.447 8.703 -5.191 49 HB2 GLU 8 HB2 GLU 8 -17.919 5.729 -5.212 50 HB3 GLU 8 HB1 GLU 8 -19.076 6.879 -4.560 51 HG2 GLU 8 HG2 GLU 8 -19.175 7.984 -6.761 52 HG3 GLU 8 HG1 GLU 8 -18.074 6.762 -7.390 53 H THR 9 HN THR 9 -15.494 9.120 -3.741 54 HA THR 9 HA THR 9 -14.530 9.263 -1.719 55 HB THR 9 HB THR 9 -16.159 9.411 0.234 56 HG1 THR 9 HG1 THR 9 -17.739 8.104 -1.338 57 HG21 THR 9 HG21 THR 9 -15.438 11.381 -0.998 58 HG22 THR 9 HG22 THR 9 -17.150 11.520 -0.599 59 HG23 THR 9 HG23 THR 9 -16.658 11.081 -2.235 60 H GLY 10 HN GLY 10 -13.397 7.257 -2.039 61 HA2 GLY 10 HA2 GLY 10 -14.333 4.950 -0.532 62 HA3 GLY 10 HA1 GLY 10 -12.849 5.055 -1.470 63 H ASN 11 HN ASN 11 -13.263 7.733 0.455 64 HA ASN 11 HA ASN 11 -11.357 6.716 2.436 65 HB2 ASN 11 HB2 ASN 11 -10.719 9.073 2.780 66 HB3 ASN 11 HB1 ASN 11 -10.519 8.592 1.102 67 HD21 ASN 11 HD21 ASN 11 -10.782 11.243 2.156 68 HD22 ASN 11 HD22 ASN 11 -12.193 11.941 1.434 69 H ALA 12 HN ALA 12 -14.451 6.781 2.244 70 HA ALA 12 HA ALA 12 -14.864 7.732 4.988 71 HB1 ALA 12 HB1 ALA 12 -15.935 9.287 3.421 72 HB2 ALA 12 HB2 ALA 12 -17.136 8.411 4.373 73 HB3 ALA 12 HB3 ALA 12 -16.828 7.946 2.700 74 H VAL 13 HN VAL 13 -16.136 6.404 6.276 75 HA VAL 13 HA VAL 13 -16.898 3.831 5.061 76 HB VAL 13 HB VAL 13 -16.322 2.719 7.192 77 HG11 VAL 13 HG11 VAL 13 -14.692 2.731 5.380 78 HG12 VAL 13 HG12 VAL 13 -13.890 2.795 6.949 79 HG13 VAL 13 HG13 VAL 13 -14.036 4.257 5.973 80 HG21 VAL 13 HG21 VAL 13 -15.159 5.399 7.969 81 HG22 VAL 13 HG22 VAL 13 -14.963 3.894 8.868 82 HG23 VAL 13 HG23 VAL 13 -16.562 4.620 8.700 83 H VAL 14 HN VAL 14 -18.606 2.700 6.102 84 HA VAL 14 HA VAL 14 -20.436 4.465 7.585 85 HB VAL 14 HB VAL 14 -21.115 1.993 5.969 86 HG11 VAL 14 HG11 VAL 14 -22.674 2.401 7.799 87 HG12 VAL 14 HG12 VAL 14 -23.442 2.719 6.243 88 HG13 VAL 14 HG13 VAL 14 -22.900 4.062 7.246 89 HG21 VAL 14 HG21 VAL 14 -21.487 4.904 5.258 90 HG22 VAL 14 HG22 VAL 14 -22.117 3.538 4.337 91 HG23 VAL 14 HG23 VAL 14 -20.374 3.771 4.492 92 H VAL 15 HN VAL 15 -20.466 3.989 9.699 93 HA VAL 15 HA VAL 15 -19.992 1.185 10.465 94 HB VAL 15 HB VAL 15 -19.398 3.639 12.136 95 HG11 VAL 15 HG11 VAL 15 -19.976 1.565 13.381 96 HG12 VAL 15 HG12 VAL 15 -18.334 2.139 13.676 97 HG13 VAL 15 HG13 VAL 15 -18.609 0.768 12.602 98 HG21 VAL 15 HG21 VAL 15 -17.019 3.065 11.753 99 HG22 VAL 15 HG22 VAL 15 -17.857 3.558 10.281 100 HG23 VAL 15 HG23 VAL 15 -17.535 1.851 10.580 101 H PHE 16 HN PHE 16 -21.492 0.201 11.598 102 HA PHE 16 HA PHE 16 -23.530 1.733 13.009 103 HB2 PHE 16 HB2 PHE 16 -25.343 0.393 11.917 104 HB3 PHE 16 HB1 PHE 16 -24.527 1.509 10.830 105 HD1 PHE 16 HD1 PHE 16 -25.085 -2.013 11.662 106 HD2 PHE 16 HD2 PHE 16 -23.116 0.697 9.039 107 HE1 PHE 16 HE1 PHE 16 -24.616 -3.859 10.105 108 HE2 PHE 16 HE2 PHE 16 -22.646 -1.144 7.481 109 HZ PHE 16 HZ PHE 16 -23.396 -3.427 8.012 110 H GLY 17 HN GLY 17 -24.774 0.444 14.501 111 HA2 GLY 17 HA2 GLY 17 -25.073 -1.987 15.223 112 HA3 GLY 17 HA1 GLY 17 -23.317 -2.007 15.279 113 H TYR 18 HN TYR 18 -23.460 0.868 16.263 114 HA TYR 18 HA TYR 18 -23.892 0.135 19.060 115 HB2 TYR 18 HB2 TYR 18 -22.545 2.162 19.587 116 HB3 TYR 18 HB1 TYR 18 -21.674 0.916 18.713 117 HD1 TYR 18 HD2 TYR 18 -21.028 1.265 16.385 118 HD2 TYR 18 HD1 TYR 18 -22.959 4.332 18.613 119 HE1 TYR 18 HE2 TYR 18 -20.314 2.915 14.723 120 HE2 TYR 18 HE1 TYR 18 -22.243 5.991 16.940 121 HH TYR 18 HH TYR 18 -20.912 5.075 13.930 122 H ARG 19 HN ARG 19 -24.928 1.529 20.480 123 HA ARG 19 HA ARG 19 -27.372 2.464 19.369 124 HB2 ARG 19 HB2 ARG 19 -27.403 1.267 21.416 125 HB3 ARG 19 HB1 ARG 19 -26.288 2.388 22.167 126 HG2 ARG 19 HG2 ARG 19 -27.984 4.127 22.141 127 HG3 ARG 19 HG1 ARG 19 -29.104 3.032 21.326 128 HD2 ARG 19 HD2 ARG 19 -29.057 1.529 23.218 129 HD3 ARG 19 HD1 ARG 19 -27.862 2.539 24.025 130 HE ARG 19 HE ARG 19 -30.245 3.975 23.400 131 HH11 ARG 19 HH11 ARG 19 -28.859 1.692 25.673 132 HH12 ARG 19 HH12 ARG 19 -29.844 2.212 26.998 133 HH21 ARG 19 HH21 ARG 19 -31.575 4.648 25.155 134 HH22 ARG 19 HH22 ARG 19 -31.381 3.903 26.703 135 H GLU 20 HN GLU 20 -25.575 4.250 21.839 136 HA GLU 20 HA GLU 20 -25.111 6.635 20.420 137 HB2 GLU 20 HB2 GLU 20 -27.577 6.655 20.218 138 HB3 GLU 20 HB1 GLU 20 -27.719 6.556 21.965 139 HG2 GLU 20 HG2 GLU 20 -28.123 8.800 21.405 140 HG3 GLU 20 HG1 GLU 20 -26.485 8.761 22.060 141 H ALA 21 HN ALA 21 -26.484 5.497 23.484 142 HA ALA 21 HA ALA 21 -25.211 7.407 25.125 143 HB1 ALA 21 HB1 ALA 21 -26.051 6.092 26.988 144 HB2 ALA 21 HB2 ALA 21 -26.414 4.756 25.897 145 HB3 ALA 21 HB3 ALA 21 -27.288 6.282 25.746 146 H ILE 22 HN ILE 22 -23.758 4.997 23.485 147 HA ILE 22 HA ILE 22 -21.908 4.142 25.570 148 HB ILE 22 HB ILE 22 -20.827 2.807 23.800 149 HG12 ILE 22 HG12 ILE 22 -22.913 3.232 21.788 150 HG13 ILE 22 HG11 ILE 22 -21.917 4.664 22.057 151 HG21 ILE 22 HG21 ILE 22 -23.825 2.508 23.854 152 HG22 ILE 22 HG22 ILE 22 -22.697 1.865 25.047 153 HG23 ILE 22 HG23 ILE 22 -22.669 1.259 23.391 154 HD11 ILE 22 HD11 ILE 22 -20.960 1.918 21.282 155 HD12 ILE 22 HD12 ILE 22 -19.918 3.294 21.644 156 HD13 ILE 22 HD13 ILE 22 -21.004 3.357 20.262 157 H THR 23 HN THR 23 -22.168 6.961 24.430 158 HA THR 23 HA THR 23 -20.227 7.805 22.763 159 HB THR 23 HB THR 23 -21.022 9.232 25.292 160 HG1 THR 23 HG1 THR 23 -22.182 9.325 22.684 161 HG21 THR 23 HG21 THR 23 -20.429 11.269 24.092 162 HG22 THR 23 HG22 THR 23 -19.990 10.334 22.665 163 HG23 THR 23 HG23 THR 23 -19.045 10.182 24.143 164 H LYS 24 HN LYS 24 -19.726 8.085 26.305 165 HA LYS 24 HA LYS 24 -17.049 8.843 26.044 166 HB2 LYS 24 HB2 LYS 24 -18.568 7.717 28.382 167 HB3 LYS 24 HB1 LYS 24 -16.874 8.150 28.500 168 HG2 LYS 24 HG2 LYS 24 -17.994 10.005 29.359 169 HG3 LYS 24 HG1 LYS 24 -17.600 10.484 27.712 170 HD2 LYS 24 HD2 LYS 24 -19.850 10.146 26.989 171 HD3 LYS 24 HD1 LYS 24 -20.279 9.329 28.502 172 HE2 LYS 24 HE2 LYS 24 -19.810 11.476 29.696 173 HE3 LYS 24 HE1 LYS 24 -19.547 12.232 28.130 174 HZ1 LYS 24 HZ1 LYS 24 -21.788 11.866 27.525 175 HZ2 LYS 24 HZ2 LYS 24 -21.809 12.560 29.070 176 HZ3 LYS 24 HZ3 LYS 24 -22.090 10.902 28.887 177 H GLN 25 HN GLN 25 -18.455 5.653 26.447 178 HA GLN 25 HA GLN 25 -16.138 4.272 27.110 179 HB2 GLN 25 HB2 GLN 25 -18.568 3.517 27.246 180 HB3 GLN 25 HB1 GLN 25 -18.437 3.140 25.533 181 HG2 GLN 25 HG2 GLN 25 -16.606 1.610 26.010 182 HG3 GLN 25 HG1 GLN 25 -16.752 2.013 27.720 183 HE21 GLN 25 HE21 GLN 25 -17.003 -0.557 26.427 184 HE22 GLN 25 HE22 GLN 25 -18.579 -1.153 26.819 185 H ILE 26 HN ILE 26 -17.766 4.243 23.885 186 HA ILE 26 HA ILE 26 -15.515 3.066 22.625 187 HB ILE 26 HB ILE 26 -18.032 2.976 21.906 188 HG12 ILE 26 HG12 ILE 26 -15.947 3.324 19.757 189 HG13 ILE 26 HG11 ILE 26 -16.081 1.913 20.807 190 HG21 ILE 26 HG21 ILE 26 -17.119 5.442 20.415 191 HG22 ILE 26 HG22 ILE 26 -18.412 5.364 21.611 192 HG23 ILE 26 HG23 ILE 26 -18.589 4.535 20.064 193 HD11 ILE 26 HD11 ILE 26 -18.216 2.894 18.927 194 HD12 ILE 26 HD12 ILE 26 -18.272 1.432 19.911 195 HD13 ILE 26 HD13 ILE 26 -17.099 1.568 18.601 196 H LEU 27 HN LEU 27 -16.459 6.334 23.212 197 HA LEU 27 HA LEU 27 -15.111 7.642 21.125 198 HB2 LEU 27 HB2 LEU 27 -16.828 8.667 22.593 199 HB3 LEU 27 HB1 LEU 27 -15.663 8.686 23.897 200 HG LEU 27 HG LEU 27 -14.250 10.224 22.554 201 HD11 LEU 27 HD11 LEU 27 -15.276 11.339 20.614 202 HD12 LEU 27 HD12 LEU 27 -16.630 10.212 20.696 203 HD13 LEU 27 HD13 LEU 27 -15.009 9.620 20.328 204 HD21 LEU 27 HD21 LEU 27 -15.778 11.077 24.248 205 HD22 LEU 27 HD22 LEU 27 -17.081 11.122 23.060 206 HD23 LEU 27 HD23 LEU 27 -15.681 12.180 22.874 207 H ALA 28 HN ALA 28 -14.014 6.564 24.289 208 HA ALA 28 HA ALA 28 -11.649 7.988 24.514 209 HB1 ALA 28 HB1 ALA 28 -10.872 6.239 26.008 210 HB2 ALA 28 HB2 ALA 28 -12.090 5.132 25.380 211 HB3 ALA 28 HB3 ALA 28 -12.583 6.564 26.284 212 H TYR 29 HN TYR 29 -12.299 5.122 22.585 213 HA TYR 29 HA TYR 29 -9.503 4.971 21.794 214 HB2 TYR 29 HB2 TYR 29 -10.591 2.864 22.279 215 HB3 TYR 29 HB1 TYR 29 -11.851 3.204 21.102 216 HD1 TYR 29 HD1 TYR 29 -8.229 2.477 21.455 217 HD2 TYR 29 HD2 TYR 29 -11.555 2.689 18.816 218 HE1 TYR 29 HE1 TYR 29 -6.899 1.385 19.698 219 HE2 TYR 29 HE2 TYR 29 -10.241 1.598 17.055 220 HH TYR 29 HH TYR 29 -7.738 1.379 16.499 221 H PHE 30 HN PHE 30 -12.671 5.651 20.337 222 HA PHE 30 HA PHE 30 -11.461 5.854 17.719 223 HB2 PHE 30 HB2 PHE 30 -14.284 5.914 18.681 224 HB3 PHE 30 HB1 PHE 30 -13.876 6.406 17.043 225 HD1 PHE 30 HD1 PHE 30 -14.012 3.607 19.394 226 HD2 PHE 30 HD2 PHE 30 -13.145 4.815 15.412 227 HE1 PHE 30 HE1 PHE 30 -14.041 1.250 18.675 228 HE2 PHE 30 HE2 PHE 30 -13.169 2.462 14.685 229 HZ PHE 30 HZ PHE 30 -13.620 0.679 16.318 230 H ALA 31 HN ALA 31 -12.025 8.112 20.195 231 HA ALA 31 HA ALA 31 -12.627 10.369 18.562 232 HB1 ALA 31 HB1 ALA 31 -13.055 10.384 20.955 233 HB2 ALA 31 HB2 ALA 31 -12.016 11.731 20.483 234 HB3 ALA 31 HB3 ALA 31 -11.324 10.315 21.278 235 H GLN 32 HN GLN 32 -9.790 8.612 19.184 236 HA GLN 32 HA GLN 32 -7.859 10.590 18.575 237 HB2 GLN 32 HB2 GLN 32 -7.351 8.416 19.689 238 HB3 GLN 32 HB1 GLN 32 -7.715 7.588 18.181 239 HG2 GLN 32 HG2 GLN 32 -5.344 7.776 18.418 240 HG3 GLN 32 HG1 GLN 32 -5.870 8.827 17.102 241 HE21 GLN 32 HE21 GLN 32 -4.149 10.197 17.227 242 HE22 GLN 32 HE22 GLN 32 -3.898 11.283 18.550 243 H PHE 33 HN PHE 33 -9.993 8.604 16.746 244 HA PHE 33 HA PHE 33 -8.668 9.076 14.219 245 HB2 PHE 33 HB2 PHE 33 -11.192 7.588 14.964 246 HB3 PHE 33 HB1 PHE 33 -10.601 7.748 13.319 247 HD1 PHE 33 HD1 PHE 33 -9.907 6.293 16.623 248 HD2 PHE 33 HD2 PHE 33 -8.807 6.409 12.516 249 HE1 PHE 33 HE1 PHE 33 -8.525 4.285 16.943 250 HE2 PHE 33 HE2 PHE 33 -7.421 4.401 12.827 251 HZ PHE 33 HZ PHE 33 -7.279 3.334 15.044 252 H GLY 34 HN GLY 34 -11.836 9.806 15.732 253 HA2 GLY 34 HA2 GLY 34 -11.988 12.422 14.759 254 HA3 GLY 34 HA1 GLY 34 -12.789 11.382 13.590 255 H GLU 35 HN GLU 35 -14.611 12.827 14.239 256 HA GLU 35 HA GLU 35 -15.809 12.334 16.816 257 HB2 GLU 35 HB2 GLU 35 -15.974 14.511 15.815 258 HB3 GLU 35 HB1 GLU 35 -16.813 13.872 14.414 259 HG2 GLU 35 HG2 GLU 35 -18.713 13.289 15.828 260 HG3 GLU 35 HG1 GLU 35 -17.843 13.859 17.248 261 H ILE 36 HN ILE 36 -16.951 10.628 17.228 262 HA ILE 36 HA ILE 36 -17.963 9.001 15.045 263 HB ILE 36 HB ILE 36 -17.949 8.369 17.999 264 HG12 ILE 36 HG12 ILE 36 -15.658 8.749 17.188 265 HG13 ILE 36 HG11 ILE 36 -15.935 7.046 17.542 266 HG21 ILE 36 HG21 ILE 36 -19.523 7.095 16.721 267 HG22 ILE 36 HG22 ILE 36 -18.165 6.072 17.210 268 HG23 ILE 36 HG23 ILE 36 -18.271 6.679 15.552 269 HD11 ILE 36 HD11 ILE 36 -15.970 8.298 14.806 270 HD12 ILE 36 HD12 ILE 36 -16.200 6.587 15.174 271 HD13 ILE 36 HD13 ILE 36 -14.647 7.363 15.501 272 H LEU 37 HN LEU 37 -19.160 10.317 18.105 273 HA LEU 37 HA LEU 37 -21.782 10.601 16.917 274 HB2 LEU 37 HB2 LEU 37 -22.606 9.696 19.313 275 HB3 LEU 37 HB1 LEU 37 -22.465 8.685 17.893 276 HG LEU 37 HG LEU 37 -20.233 7.932 18.691 277 HD11 LEU 37 HD11 LEU 37 -19.711 9.906 20.047 278 HD12 LEU 37 HD12 LEU 37 -19.527 8.394 20.939 279 HD13 LEU 37 HD13 LEU 37 -20.947 9.411 21.205 280 HD21 LEU 37 HD21 LEU 37 -22.532 7.519 20.608 281 HD22 LEU 37 HD22 LEU 37 -21.093 6.508 20.508 282 HD23 LEU 37 HD23 LEU 37 -22.209 6.586 19.149 283 H GLU 38 HN GLU 38 -23.217 11.436 19.052 284 HA GLU 38 HA GLU 38 -21.983 14.035 19.441 285 HB2 GLU 38 HB2 GLU 38 -24.788 13.043 19.923 286 HB3 GLU 38 HB1 GLU 38 -24.259 14.702 20.173 287 HG2 GLU 38 HG2 GLU 38 -23.685 14.883 17.816 288 HG3 GLU 38 HG1 GLU 38 -24.195 13.213 17.563 289 H ASP 39 HN ASP 39 -24.026 14.247 21.798 290 HA ASP 39 HA ASP 39 -23.977 14.259 24.066 291 HB2 ASP 39 HB2 ASP 39 -23.846 11.874 24.061 292 HB3 ASP 39 HB1 ASP 39 -22.140 11.910 23.656 293 H LEU 40 HN LEU 40 -20.651 13.293 23.480 294 HA LEU 40 HA LEU 40 -18.665 14.152 24.208 295 HB2 LEU 40 HB2 LEU 40 -19.790 16.540 22.794 296 HB3 LEU 40 HB1 LEU 40 -18.100 16.260 23.148 297 HG LEU 40 HG LEU 40 -19.840 14.713 21.251 298 HD11 LEU 40 HD11 LEU 40 -19.082 16.872 20.481 299 HD12 LEU 40 HD12 LEU 40 -18.253 15.577 19.602 300 HD13 LEU 40 HD13 LEU 40 -17.424 16.453 20.901 301 HD21 LEU 40 HD21 LEU 40 -16.966 14.223 22.049 302 HD22 LEU 40 HD22 LEU 40 -17.821 13.407 20.739 303 HD23 LEU 40 HD23 LEU 40 -18.337 13.172 22.410 304 H GLU 41 HN GLU 41 -18.927 14.214 26.463 305 HA GLU 41 HA GLU 41 -19.276 16.957 27.398 306 HB2 GLU 41 HB2 GLU 41 -19.594 14.399 28.984 307 HB3 GLU 41 HB1 GLU 41 -19.696 16.008 29.670 308 HG2 GLU 41 HG2 GLU 41 -21.634 16.459 28.188 309 HG3 GLU 41 HG1 GLU 41 -21.555 14.778 27.655 310 H SER 42 HN SER 42 -17.678 14.118 28.797 311 HA SER 42 HA SER 42 -15.473 15.662 29.723 312 HB2 SER 42 HB2 SER 42 -14.617 13.301 30.311 313 HB3 SER 42 HB1 SER 42 -16.081 13.878 31.112 314 HG SER 42 HG SER 42 -16.594 11.884 30.402 315 H GLU 43 HN GLU 43 -15.839 13.081 27.322 316 HA GLU 43 HA GLU 43 -14.472 12.239 25.742 317 HB2 GLU 43 HB2 GLU 43 -13.782 13.945 23.996 318 HB3 GLU 43 HB1 GLU 43 -15.493 13.834 24.371 319 HG2 GLU 43 HG2 GLU 43 -15.443 15.856 25.598 320 HG3 GLU 43 HG1 GLU 43 -13.679 15.900 25.579 321 H LEU 44 HN LEU 44 -12.816 11.385 27.027 322 HA LEU 44 HA LEU 44 -10.740 10.918 27.602 323 HB2 LEU 44 HB2 LEU 44 -10.133 12.676 25.235 324 HB3 LEU 44 HB1 LEU 44 -8.966 11.713 26.101 325 HG LEU 44 HG LEU 44 -10.302 9.665 25.466 326 HD11 LEU 44 HD11 LEU 44 -11.669 11.620 23.629 327 HD12 LEU 44 HD12 LEU 44 -12.414 10.695 24.934 328 HD13 LEU 44 HD13 LEU 44 -11.774 9.864 23.516 329 HD21 LEU 44 HD21 LEU 44 -9.392 9.575 23.198 330 HD22 LEU 44 HD22 LEU 44 -8.233 10.253 24.341 331 HD23 LEU 44 HD23 LEU 44 -9.114 11.318 23.243 332 H GLY 45 HN GLY 45 -8.388 12.158 27.779 333 HA2 GLY 45 HA2 GLY 45 -8.885 14.702 29.139 334 HA3 GLY 45 HA1 GLY 45 -8.068 13.403 30.003 335 H ASP 46 HN ASP 46 -7.526 16.173 28.432 336 HA ASP 46 HA ASP 46 -5.670 17.264 27.764 337 HB2 ASP 46 HB2 ASP 46 -4.244 14.742 28.610 338 HB3 ASP 46 HB1 ASP 46 -3.406 16.170 28.017 339 H THR 47 HN THR 47 -6.150 14.091 26.408 340 HA THR 47 HA THR 47 -4.674 14.677 23.980 341 HB THR 47 HB THR 47 -6.648 12.426 24.408 342 HG1 THR 47 HG1 THR 47 -4.379 12.882 25.753 343 HG21 THR 47 HG21 THR 47 -5.285 11.304 22.726 344 HG22 THR 47 HG22 THR 47 -4.188 12.687 22.678 345 HG23 THR 47 HG23 THR 47 -5.847 12.863 22.112 346 H GLU 48 HN GLU 48 -6.027 16.714 23.979 347 HA GLU 48 HA GLU 48 -8.577 16.318 22.606 348 HB2 GLU 48 HB2 GLU 48 -8.459 17.846 24.548 349 HB3 GLU 48 HB1 GLU 48 -7.296 18.820 23.658 350 HG2 GLU 48 HG2 GLU 48 -9.002 19.263 21.953 351 HG3 GLU 48 HG1 GLU 48 -10.162 18.321 22.890 352 H THR 49 HN THR 49 -5.318 17.450 22.156 353 HA THR 49 HA THR 49 -5.791 18.714 19.642 354 HB THR 49 HB THR 49 -3.251 18.549 19.468 355 HG1 THR 49 HG1 THR 49 -3.188 16.711 20.988 356 HG21 THR 49 HG21 THR 49 -2.876 20.258 21.199 357 HG22 THR 49 HG22 THR 49 -4.429 19.849 21.932 358 HG23 THR 49 HG23 THR 49 -4.374 20.554 20.317 359 H MET 50 HN MET 50 -5.558 17.879 17.626 360 HA MET 50 HA MET 50 -5.464 16.376 15.951 361 HB2 MET 50 HB2 MET 50 -3.144 16.071 16.683 362 HB3 MET 50 HB1 MET 50 -3.667 14.853 17.843 363 HG2 MET 50 HG2 MET 50 -4.317 13.366 16.052 364 HG3 MET 50 HG1 MET 50 -3.987 14.606 14.850 365 HE1 MET 50 HE1 MET 50 -1.859 13.606 18.046 366 HE2 MET 50 HE2 MET 50 -0.757 12.427 17.337 367 HE3 MET 50 HE3 MET 50 -2.483 12.080 17.421 368 H ARG 51 HN ARG 51 -7.747 16.105 16.476 369 HA ARG 51 HA ARG 51 -8.341 13.318 17.211 370 HB2 ARG 51 HB2 ARG 51 -9.852 15.825 17.920 371 HB3 ARG 51 HB1 ARG 51 -10.591 14.234 17.994 372 HG2 ARG 51 HG2 ARG 51 -9.046 13.527 19.689 373 HG3 ARG 51 HG1 ARG 51 -8.119 15.017 19.517 374 HD2 ARG 51 HD2 ARG 51 -9.570 15.078 21.477 375 HD3 ARG 51 HD1 ARG 51 -10.006 16.314 20.304 376 HE ARG 51 HE ARG 51 -11.545 13.956 19.934 377 HH11 ARG 51 HH11 ARG 51 -11.192 16.754 22.001 378 HH12 ARG 51 HH12 ARG 51 -12.855 16.808 22.491 379 HH21 ARG 51 HH21 ARG 51 -13.809 14.016 20.569 380 HH22 ARG 51 HH22 ARG 51 -14.345 15.245 21.673 381 H THR 52 HN THR 52 -8.146 15.293 14.756 382 HA THR 52 HA THR 52 -10.049 13.862 13.102 383 HB THR 52 HB THR 52 -10.858 16.150 12.162 384 HG1 THR 52 HG1 THR 52 -9.504 17.447 13.459 385 HG21 THR 52 HG21 THR 52 -11.906 15.162 14.826 386 HG22 THR 52 HG22 THR 52 -12.371 14.557 13.236 387 HG23 THR 52 HG23 THR 52 -12.777 16.207 13.704 388 HA PRO 53 HA PRO 53 -6.426 14.835 10.651 389 HB2 PRO 53 HB2 PRO 53 -6.649 12.812 8.909 390 HB3 PRO 53 HB1 PRO 53 -6.140 12.534 10.578 391 HG2 PRO 53 HG2 PRO 53 -8.800 12.066 9.307 392 HG3 PRO 53 HG1 PRO 53 -7.953 11.103 10.529 393 HD2 PRO 53 HD2 PRO 53 -9.993 12.934 11.041 394 HD3 PRO 53 HD1 PRO 53 -8.842 12.318 12.242 395 H GLY 54 HN GLY 54 -9.376 15.701 10.169 396 HA2 GLY 54 HA2 GLY 54 -8.857 16.815 7.541 397 HA3 GLY 54 HA1 GLY 54 -10.279 15.786 7.669 398 H TYR 55 HN TYR 55 -12.136 16.732 8.268 399 HA TYR 55 HA TYR 55 -12.209 19.493 8.850 400 HB2 TYR 55 HB2 TYR 55 -13.808 18.127 7.400 401 HB3 TYR 55 HB1 TYR 55 -14.493 17.544 8.913 402 HD1 TYR 55 HD1 TYR 55 -13.792 20.513 6.947 403 HD2 TYR 55 HD2 TYR 55 -16.051 18.872 10.116 404 HE1 TYR 55 HE1 TYR 55 -15.190 22.566 6.994 405 HE2 TYR 55 HE2 TYR 55 -17.454 20.891 10.201 406 HH TYR 55 HH TYR 55 -17.273 23.289 9.555 407 H PHE 56 HN PHE 56 -12.345 20.350 10.738 408 HA PHE 56 HA PHE 56 -12.218 18.790 13.142 409 HB2 PHE 56 HB2 PHE 56 -12.338 21.781 12.723 410 HB3 PHE 56 HB1 PHE 56 -12.097 20.997 14.282 411 HD1 PHE 56 HD2 PHE 56 -10.019 19.839 14.787 412 HD2 PHE 56 HD1 PHE 56 -10.578 21.866 11.088 413 HE1 PHE 56 HE2 PHE 56 -7.596 19.742 14.370 414 HE2 PHE 56 HE1 PHE 56 -8.157 21.769 10.665 415 HZ PHE 56 HZ PHE 56 -6.663 20.708 12.305 416 H PHE 57 HN PHE 57 -13.700 18.667 14.791 417 HA PHE 57 HA PHE 57 -16.448 18.810 13.994 418 HB2 PHE 57 HB2 PHE 57 -16.898 17.742 16.180 419 HB3 PHE 57 HB1 PHE 57 -15.653 16.898 15.289 420 HD1 PHE 57 HD2 PHE 57 -13.289 17.242 15.937 421 HD2 PHE 57 HD1 PHE 57 -16.554 18.578 18.280 422 HE1 PHE 57 HE2 PHE 57 -11.831 17.400 17.861 423 HE2 PHE 57 HE1 PHE 57 -15.104 18.735 20.224 424 HZ PHE 57 HZ PHE 57 -12.715 18.149 20.041 425 H GLN 58 HN GLN 58 -14.390 20.658 16.170 426 HA GLN 58 HA GLN 58 -14.627 22.651 17.206 427 HB2 GLN 58 HB2 GLN 58 -17.164 22.847 15.574 428 HB3 GLN 58 HB1 GLN 58 -16.550 24.129 16.602 429 HG2 GLN 58 HG2 GLN 58 -14.544 24.284 15.257 430 HG3 GLN 58 HG1 GLN 58 -15.107 22.951 14.243 431 HE21 GLN 58 HE21 GLN 58 -15.146 24.161 12.377 432 HE22 GLN 58 HE22 GLN 58 -16.306 25.411 12.088 433 H GLN 59 HN GLN 59 -15.017 22.835 19.317 434 HA GLN 59 HA GLN 59 -17.205 21.368 20.513 435 HB2 GLN 59 HB2 GLN 59 -15.036 23.082 21.738 436 HB3 GLN 59 HB1 GLN 59 -16.280 22.267 22.671 437 HG2 GLN 59 HG2 GLN 59 -15.482 20.114 21.874 438 HG3 GLN 59 HG1 GLN 59 -14.245 20.919 20.910 439 HE21 GLN 59 HE21 GLN 59 -12.546 19.956 21.968 440 HE22 GLN 59 HE22 GLN 59 -12.108 20.324 23.601 441 H ALA 60 HN ALA 60 -18.976 22.441 19.668 442 HA ALA 60 HA ALA 60 -19.400 25.173 20.673 443 HB1 ALA 60 HB1 ALA 60 -19.445 25.069 18.253 444 HB2 ALA 60 HB2 ALA 60 -21.063 25.410 18.868 445 HB3 ALA 60 HB3 ALA 60 -20.659 23.790 18.302 446 HA PRO 61 HA PRO 61 -22.335 23.114 23.424 447 HB2 PRO 61 HB2 PRO 61 -22.969 25.929 24.097 448 HB3 PRO 61 HB1 PRO 61 -22.476 24.609 25.161 449 HG2 PRO 61 HG2 PRO 61 -20.797 26.606 24.569 450 HG3 PRO 61 HG1 PRO 61 -20.229 24.937 24.755 451 HD2 PRO 61 HD2 PRO 61 -20.713 26.506 22.262 452 HD3 PRO 61 HD1 PRO 61 -19.405 25.369 22.649 453 H ASN 62 HN ASN 62 -24.414 22.631 23.080 454 HA ASN 62 HA ASN 62 -26.417 22.483 22.053 455 HB2 ASN 62 HB2 ASN 62 -26.925 24.377 23.546 456 HB3 ASN 62 HB1 ASN 62 -26.388 25.502 22.301 457 HD21 ASN 62 HD21 ASN 62 -28.849 23.189 23.204 458 HD22 ASN 62 HD22 ASN 62 -30.046 23.730 22.084 459 H ARG 63 HN ARG 63 -25.593 21.658 20.115 460 HA ARG 63 HA ARG 63 -25.723 23.576 17.887 461 HB2 ARG 63 HB2 ARG 63 -24.202 22.170 16.618 462 HB3 ARG 63 HB1 ARG 63 -23.457 22.668 18.127 463 HG2 ARG 63 HG2 ARG 63 -23.883 20.508 19.092 464 HG3 ARG 63 HG1 ARG 63 -24.733 20.003 17.629 465 HD2 ARG 63 HD2 ARG 63 -22.705 20.306 16.331 466 HD3 ARG 63 HD1 ARG 63 -21.841 20.824 17.785 467 HE ARG 63 HE ARG 63 -23.045 18.283 18.171 468 HH11 ARG 63 HH11 ARG 63 -20.243 19.769 16.599 469 HH12 ARG 63 HH12 ARG 63 -19.300 18.319 16.688 470 HH21 ARG 63 HH21 ARG 63 -21.734 16.398 18.278 471 HH22 ARG 63 HH22 ARG 63 -20.119 16.441 17.624 472 H ARG 64 HN ARG 64 -26.187 22.300 15.782 473 HA ARG 64 HA ARG 64 -28.756 21.219 15.980 474 HB2 ARG 64 HB2 ARG 64 -28.524 20.610 13.562 475 HB3 ARG 64 HB1 ARG 64 -28.141 22.288 13.907 476 HG2 ARG 64 HG2 ARG 64 -25.917 20.325 13.857 477 HG3 ARG 64 HG1 ARG 64 -26.638 20.800 12.324 478 HD2 ARG 64 HD2 ARG 64 -25.994 23.018 12.567 479 HD3 ARG 64 HD1 ARG 64 -25.774 22.890 14.300 480 HE ARG 64 HE ARG 64 -23.959 21.218 12.860 481 HH11 ARG 64 HH11 ARG 64 -24.516 24.534 13.898 482 HH12 ARG 64 HH12 ARG 64 -22.835 24.950 13.898 483 HH21 ARG 64 HH21 ARG 64 -21.724 21.790 12.826 484 HH22 ARG 64 HH22 ARG 64 -21.248 23.392 13.279 485 H ARG 65 HN ARG 65 -25.785 19.620 15.233 486 HA ARG 65 HA ARG 65 -26.110 17.333 16.731 487 HB2 ARG 65 HB2 ARG 65 -27.035 17.203 13.897 488 HB3 ARG 65 HB1 ARG 65 -26.142 15.852 14.560 489 HG2 ARG 65 HG2 ARG 65 -27.808 15.619 16.328 490 HG3 ARG 65 HG1 ARG 65 -28.646 17.028 15.656 491 HD2 ARG 65 HD2 ARG 65 -29.085 15.831 13.605 492 HD3 ARG 65 HD1 ARG 65 -28.146 14.451 14.168 493 HE ARG 65 HE ARG 65 -30.805 15.253 15.076 494 HH11 ARG 65 HH11 ARG 65 -28.110 13.016 15.303 495 HH12 ARG 65 HH12 ARG 65 -29.007 11.806 16.137 496 HH21 ARG 65 HH21 ARG 65 -32.001 13.641 16.195 497 HH22 ARG 65 HH22 ARG 65 -31.226 12.164 16.653 498 H ILE 66 HN ILE 66 -24.608 15.531 15.566 499 HA ILE 66 HA ILE 66 -21.974 16.370 15.534 500 HB ILE 66 HB ILE 66 -22.428 14.038 15.764 501 HG12 ILE 66 HG12 ILE 66 -21.181 14.424 13.030 502 HG13 ILE 66 HG11 ILE 66 -20.328 14.499 14.564 503 HG21 ILE 66 HG21 ILE 66 -23.767 14.127 13.070 504 HG22 ILE 66 HG22 ILE 66 -24.552 13.934 14.636 505 HG23 ILE 66 HG23 ILE 66 -23.484 12.672 14.023 506 HD11 ILE 66 HD11 ILE 66 -20.744 12.143 14.937 507 HD12 ILE 66 HD12 ILE 66 -19.978 12.390 13.363 508 HD13 ILE 66 HD13 ILE 66 -21.708 12.061 13.461 509 H SER 67 HN SER 67 -20.446 16.737 13.815 510 HA SER 67 HA SER 67 -21.564 18.339 11.698 511 HB2 SER 67 HB2 SER 67 -19.488 18.973 12.925 512 HB3 SER 67 HB1 SER 67 -18.668 17.592 12.193 513 HG SER 67 HG SER 67 -19.301 18.551 10.133 514 H ARG 68 HN ARG 68 -21.911 15.353 11.741 515 HA ARG 68 HA ARG 68 -21.266 14.885 8.946 516 HB2 ARG 68 HB2 ARG 68 -19.471 13.906 10.529 517 HB3 ARG 68 HB1 ARG 68 -20.714 12.768 11.023 518 HG2 ARG 68 HG2 ARG 68 -19.299 11.763 9.365 519 HG3 ARG 68 HG1 ARG 68 -20.913 12.012 8.694 520 HD2 ARG 68 HD2 ARG 68 -19.045 12.616 7.153 521 HD3 ARG 68 HD1 ARG 68 -20.185 13.921 7.462 522 HE ARG 68 HE ARG 68 -17.962 13.997 9.246 523 HH11 ARG 68 HH11 ARG 68 -18.959 14.805 5.986 524 HH12 ARG 68 HH12 ARG 68 -17.829 16.102 5.814 525 HH21 ARG 68 HH21 ARG 68 -16.448 15.740 9.019 526 HH22 ARG 68 HH22 ARG 68 -16.414 16.640 7.542 527 H GLU 69 HN GLU 69 -22.643 13.102 8.057 528 HA GLU 69 HA GLU 69 -25.238 13.272 9.226 529 HB2 GLU 69 HB2 GLU 69 -25.852 11.581 7.389 530 HB3 GLU 69 HB1 GLU 69 -25.323 13.180 6.892 531 HG2 GLU 69 HG2 GLU 69 -23.334 10.977 7.074 532 HG3 GLU 69 HG1 GLU 69 -24.444 11.030 5.705 533 H HIS 70 HN HIS 70 -25.822 12.243 10.921 534 HA HIS 70 HA HIS 70 -25.176 9.414 11.261 535 HB2 HIS 70 HB2 HIS 70 -23.789 10.503 12.865 536 HB3 HIS 70 HB1 HIS 70 -25.033 11.679 13.253 537 HD2 HIS 70 HD2 HIS 70 -25.472 7.770 13.491 538 HE1 HIS 70 HE1 HIS 70 -26.051 9.488 17.329 539 HE2 HIS 70 HE2 HIS 70 -26.358 7.438 15.908 540 H GLY 71 HN GLY 71 -26.934 8.209 11.506 541 HA2 GLY 71 HA2 GLY 71 -29.489 9.573 11.856 542 HA3 GLY 71 HA1 GLY 71 -29.264 7.916 11.304 543 H ARG 72 HN ARG 72 -29.913 6.480 12.703 544 HA ARG 72 HA ARG 72 -30.028 7.140 15.536 545 HB2 ARG 72 HB2 ARG 72 -31.048 4.754 14.004 546 HB3 ARG 72 HB1 ARG 72 -31.303 5.028 15.717 547 HG2 ARG 72 HG2 ARG 72 -32.624 6.978 15.263 548 HG3 ARG 72 HG1 ARG 72 -32.262 6.871 13.544 549 HD2 ARG 72 HD2 ARG 72 -33.741 4.780 15.131 550 HD3 ARG 72 HD1 ARG 72 -34.513 6.013 14.131 551 HE ARG 72 HE ARG 72 -32.564 4.259 12.845 552 HH11 ARG 72 HH11 ARG 72 -35.951 5.070 13.358 553 HH12 ARG 72 HH12 ARG 72 -36.500 4.138 12.011 554 HH21 ARG 72 HH21 ARG 72 -33.302 3.040 11.055 555 HH22 ARG 72 HH22 ARG 72 -34.996 2.991 10.682 556 H THR 73 HN THR 73 -29.214 4.104 13.953 557 HA THR 73 HA THR 73 -27.030 3.890 15.873 558 HB THR 73 HB THR 73 -27.186 1.447 15.299 559 HG1 THR 73 HG1 THR 73 -28.842 0.757 14.098 560 HG21 THR 73 HG21 THR 73 -28.040 2.378 17.389 561 HG22 THR 73 HG22 THR 73 -29.086 1.084 16.811 562 HG23 THR 73 HG23 THR 73 -29.567 2.767 16.598 563 H TRP 74 HN TRP 74 -27.399 4.813 12.791 564 HA TRP 74 HA TRP 74 -24.915 3.507 11.914 565 HB2 TRP 74 HB2 TRP 74 -25.597 3.893 9.602 566 HB3 TRP 74 HB1 TRP 74 -26.833 2.978 10.454 567 HD1 TRP 74 HD1 TRP 74 -29.210 4.157 10.790 568 HE1 TRP 74 HE1 TRP 74 -30.302 6.209 9.686 569 HE3 TRP 74 HE3 TRP 74 -25.053 6.253 8.657 570 HZ2 TRP 74 HZ2 TRP 74 -29.510 8.421 8.128 571 HZ3 TRP 74 HZ3 TRP 74 -25.310 8.336 7.380 572 HH2 TRP 74 HH2 TRP 74 -27.493 9.395 7.119 573 H THR 75 HN THR 75 -23.202 4.726 11.368 574 HA THR 75 HA THR 75 -23.549 7.644 11.247 575 HB THR 75 HB THR 75 -21.370 6.211 12.773 576 HG1 THR 75 HG1 THR 75 -22.444 6.833 14.598 577 HG21 THR 75 HG21 THR 75 -22.041 9.150 12.625 578 HG22 THR 75 HG22 THR 75 -20.667 8.368 11.837 579 HG23 THR 75 HG23 THR 75 -20.766 8.414 13.600 580 H LYS 76 HN LYS 76 -22.570 8.493 9.494 581 HA LYS 76 HA LYS 76 -20.671 6.917 7.964 582 HB2 LYS 76 HB2 LYS 76 -22.286 8.287 6.727 583 HB3 LYS 76 HB1 LYS 76 -21.738 9.734 7.551 584 HG2 LYS 76 HG2 LYS 76 -19.528 9.461 6.524 585 HG3 LYS 76 HG1 LYS 76 -20.154 8.086 5.610 586 HD2 LYS 76 HD2 LYS 76 -21.808 9.510 4.555 587 HD3 LYS 76 HD1 LYS 76 -21.274 10.884 5.524 588 HE2 LYS 76 HE2 LYS 76 -19.076 10.733 4.508 589 HE3 LYS 76 HE1 LYS 76 -19.619 9.392 3.496 590 HZ1 LYS 76 HZ1 LYS 76 -19.701 11.456 2.273 591 HZ2 LYS 76 HZ2 LYS 76 -20.667 12.171 3.457 592 HZ3 LYS 76 HZ3 LYS 76 -21.281 10.902 2.525 593 H LEU 77 HN LEU 77 -18.512 7.061 8.226 594 HA LEU 77 HA LEU 77 -17.558 9.318 9.842 595 HB2 LEU 77 HB2 LEU 77 -16.409 6.544 9.608 596 HB3 LEU 77 HB1 LEU 77 -15.684 7.857 10.516 597 HG LEU 77 HG LEU 77 -18.373 6.612 11.103 598 HD11 LEU 77 HD11 LEU 77 -17.288 5.674 13.067 599 HD12 LEU 77 HD12 LEU 77 -15.744 6.359 12.555 600 HD13 LEU 77 HD13 LEU 77 -16.517 5.102 11.587 601 HD21 LEU 77 HD21 LEU 77 -18.270 8.974 11.734 602 HD22 LEU 77 HD22 LEU 77 -16.779 8.671 12.628 603 HD23 LEU 77 HD23 LEU 77 -18.290 7.931 13.153 604 H THR 78 HN THR 78 -16.525 10.765 8.756 605 HA THR 78 HA THR 78 -15.019 9.990 6.360 606 HB THR 78 HB THR 78 -16.182 12.679 7.147 607 HG1 THR 78 HG1 THR 78 -17.236 11.881 4.896 608 HG21 THR 78 HG21 THR 78 -14.137 12.923 5.810 609 HG22 THR 78 HG22 THR 78 -15.554 13.386 4.866 610 HG23 THR 78 HG23 THR 78 -14.789 11.820 4.596 611 H TYR 79 HN TYR 79 -12.892 9.850 6.770 612 HA TYR 79 HA TYR 79 -11.714 11.623 8.825 613 HB2 TYR 79 HB2 TYR 79 -10.688 9.013 7.689 614 HB3 TYR 79 HB1 TYR 79 -9.878 9.979 8.912 615 HD1 TYR 79 HD2 TYR 79 -11.028 10.320 11.123 616 HD2 TYR 79 HD1 TYR 79 -12.354 7.449 8.285 617 HE1 TYR 79 HE2 TYR 79 -12.273 9.151 12.891 618 HE2 TYR 79 HE1 TYR 79 -13.602 6.277 10.043 619 HH TYR 79 HH TYR 79 -14.161 7.637 13.109 620 H ALA 80 HN ALA 80 -12.101 11.413 5.577 621 HA ALA 80 HA ALA 80 -11.221 12.497 3.797 622 HB1 ALA 80 HB1 ALA 80 -10.919 14.416 5.299 623 HB2 ALA 80 HB2 ALA 80 -9.629 14.321 4.102 624 HB3 ALA 80 HB3 ALA 80 -9.330 13.803 5.761 625 H ASN 81 HN ASN 81 -8.801 11.154 5.959 626 HA ASN 81 HA ASN 81 -6.954 10.638 3.789 627 HB2 ASN 81 HB2 ASN 81 -6.864 10.044 6.744 628 HB3 ASN 81 HB1 ASN 81 -5.593 9.565 5.627 629 HD21 ASN 81 HD21 ASN 81 -7.217 12.251 7.133 630 HD22 ASN 81 HD22 ASN 81 -5.998 13.422 6.803 631 H HIS 82 HN HIS 82 -6.481 8.700 2.944 632 HA HIS 82 HA HIS 82 -8.504 6.644 3.255 633 HB2 HIS 82 HB2 HIS 82 -7.618 7.345 1.002 634 HB3 HIS 82 HB1 HIS 82 -6.081 6.609 1.439 635 HD2 HIS 82 HD2 HIS 82 -9.815 5.334 1.043 636 HE1 HIS 82 HE1 HIS 82 -7.135 2.266 -0.104 637 HE2 HIS 82 HE2 HIS 82 -9.489 3.137 -0.246 638 H SER 83 HN SER 83 -5.354 7.326 4.376 639 HA SER 83 HA SER 83 -4.367 4.753 4.894 640 HB2 SER 83 HB2 SER 83 -3.912 7.265 6.523 641 HB3 SER 83 HB1 SER 83 -2.862 5.845 6.460 642 HG SER 83 HG SER 83 -2.879 6.345 4.074 643 H SER 84 HN SER 84 -6.494 6.858 6.774 644 HA SER 84 HA SER 84 -6.624 5.052 8.998 645 HB2 SER 84 HB2 SER 84 -8.519 6.715 9.637 646 HB3 SER 84 HB1 SER 84 -6.846 7.279 9.634 647 HG SER 84 HG SER 84 -8.944 7.911 7.910 648 H TYR 85 HN TYR 85 -8.105 5.190 5.982 649 HA TYR 85 HA TYR 85 -10.725 4.339 6.488 650 HB2 TYR 85 HB2 TYR 85 -10.175 5.116 4.297 651 HB3 TYR 85 HB1 TYR 85 -8.891 3.933 4.122 652 HD1 TYR 85 HD1 TYR 85 -12.578 4.328 4.264 653 HD2 TYR 85 HD2 TYR 85 -9.327 1.795 3.221 654 HE1 TYR 85 HE1 TYR 85 -14.132 2.804 3.111 655 HE2 TYR 85 HE2 TYR 85 -10.868 0.268 2.069 656 HH TYR 85 HH TYR 85 -13.244 -0.323 2.108 657 H LEU 86 HN LEU 86 -7.771 2.476 5.928 658 HA LEU 86 HA LEU 86 -8.987 -0.065 5.940 659 HB2 LEU 86 HB2 LEU 86 -6.158 0.772 6.573 660 HB3 LEU 86 HB1 LEU 86 -6.665 -0.899 6.459 661 HG LEU 86 HG LEU 86 -5.621 -0.415 4.415 662 HD11 LEU 86 HD11 LEU 86 -8.573 -0.116 3.933 663 HD12 LEU 86 HD12 LEU 86 -7.691 -1.635 4.119 664 HD13 LEU 86 HD13 LEU 86 -7.371 -0.590 2.734 665 HD21 LEU 86 HD21 LEU 86 -6.126 1.505 3.005 666 HD22 LEU 86 HD22 LEU 86 -5.562 2.014 4.597 667 HD23 LEU 86 HD23 LEU 86 -7.281 2.092 4.203 668 H ARG 87 HN ARG 87 -7.524 1.838 8.517 669 HA ARG 87 HA ARG 87 -7.764 -0.140 10.536 670 HB2 ARG 87 HB2 ARG 87 -7.410 2.844 10.678 671 HB3 ARG 87 HB1 ARG 87 -7.442 1.811 12.101 672 HG2 ARG 87 HG2 ARG 87 -5.499 0.605 11.306 673 HG3 ARG 87 HG1 ARG 87 -5.486 1.566 9.829 674 HD2 ARG 87 HD2 ARG 87 -5.098 3.590 11.144 675 HD3 ARG 87 HD1 ARG 87 -5.127 2.639 12.626 676 HE ARG 87 HE ARG 87 -3.199 1.432 11.201 677 HH11 ARG 87 HH11 ARG 87 -3.765 4.805 11.987 678 HH12 ARG 87 HH12 ARG 87 -2.083 5.203 12.036 679 HH21 ARG 87 HH21 ARG 87 -0.976 1.970 11.266 680 HH22 ARG 87 HH22 ARG 87 -0.494 3.595 11.621 681 H ALA 88 HN ALA 88 -9.861 2.529 9.542 682 HA ALA 88 HA ALA 88 -11.701 2.143 11.714 683 HB1 ALA 88 HB1 ALA 88 -12.013 3.733 9.166 684 HB2 ALA 88 HB2 ALA 88 -11.400 4.341 10.706 685 HB3 ALA 88 HB3 ALA 88 -13.077 3.812 10.570 686 H LEU 89 HN LEU 89 -11.170 0.591 8.794 687 HA LEU 89 HA LEU 89 -13.894 -0.164 8.219 688 HB2 LEU 89 HB2 LEU 89 -12.193 0.185 6.449 689 HB3 LEU 89 HB1 LEU 89 -11.292 -1.181 7.070 690 HG LEU 89 HG LEU 89 -13.271 -2.621 6.537 691 HD11 LEU 89 HD11 LEU 89 -14.209 -0.159 5.078 692 HD12 LEU 89 HD12 LEU 89 -14.974 -0.885 6.493 693 HD13 LEU 89 HD13 LEU 89 -14.923 -1.768 4.969 694 HD21 LEU 89 HD21 LEU 89 -12.015 -1.145 4.230 695 HD22 LEU 89 HD22 LEU 89 -12.782 -2.733 4.162 696 HD23 LEU 89 HD23 LEU 89 -11.303 -2.509 5.094 697 H ARG 90 HN ARG 90 -11.697 -1.150 10.500 698 HA ARG 90 HA ARG 90 -11.678 -3.935 10.272 699 HB2 ARG 90 HB2 ARG 90 -10.850 -4.037 12.507 700 HB3 ARG 90 HB1 ARG 90 -10.158 -2.608 11.758 701 HG2 ARG 90 HG2 ARG 90 -11.677 -1.180 12.955 702 HG3 ARG 90 HG1 ARG 90 -12.550 -2.577 13.586 703 HD2 ARG 90 HD2 ARG 90 -10.468 -3.286 14.744 704 HD3 ARG 90 HD1 ARG 90 -9.703 -1.795 14.197 705 HE ARG 90 HE ARG 90 -11.892 -0.881 15.447 706 HH11 ARG 90 HH11 ARG 90 -9.395 -3.133 16.441 707 HH12 ARG 90 HH12 ARG 90 -9.579 -2.818 18.125 708 HH21 ARG 90 HH21 ARG 90 -12.136 -0.439 17.708 709 HH22 ARG 90 HH22 ARG 90 -11.139 -1.267 18.851 710 H GLU 91 HN GLU 91 -13.179 -5.390 10.506 711 HA GLU 91 HA GLU 91 -15.203 -5.077 12.598 712 HB2 GLU 91 HB2 GLU 91 -16.950 -6.014 11.167 713 HB3 GLU 91 HB1 GLU 91 -16.337 -4.519 10.479 714 HG2 GLU 91 HG2 GLU 91 -15.206 -5.643 8.765 715 HG3 GLU 91 HG1 GLU 91 -15.325 -7.198 9.592 716 H HIS 92 HN HIS 92 -12.644 -6.633 11.669 717 HA HIS 92 HA HIS 92 -13.479 -9.373 11.656 718 HB2 HIS 92 HB2 HIS 92 -11.470 -8.588 10.439 719 HB3 HIS 92 HB1 HIS 92 -10.713 -8.174 11.968 720 HD2 HIS 92 HD2 HIS 92 -11.429 -11.299 9.765 721 HE1 HIS 92 HE1 HIS 92 -9.072 -12.508 13.072 722 HE2 HIS 92 HE2 HIS 92 -9.822 -13.064 10.740 723 H GLY 93 HN GLY 93 -14.551 -9.834 13.536 724 HA2 GLY 93 HA2 GLY 93 -14.703 -10.634 15.686 725 HA3 GLY 93 HA1 GLY 93 -12.951 -10.552 15.777 726 H THR 94 HN THR 94 -14.844 -7.732 15.017 727 HA THR 94 HA THR 94 -13.841 -6.517 17.459 728 HB THR 94 HB THR 94 -15.284 -5.145 15.186 729 HG1 THR 94 HG1 THR 94 -12.819 -6.267 15.280 730 HG21 THR 94 HG21 THR 94 -15.139 -3.869 17.297 731 HG22 THR 94 HG22 THR 94 -14.133 -3.149 16.042 732 HG23 THR 94 HG23 THR 94 -13.393 -4.113 17.317 733 H ILE 95 HN ILE 95 -15.140 -7.076 19.109 734 HA ILE 95 HA ILE 95 -18.002 -6.429 18.881 735 HB ILE 95 HB ILE 95 -16.645 -8.488 20.640 736 HG12 ILE 95 HG12 ILE 95 -18.809 -8.837 18.565 737 HG13 ILE 95 HG11 ILE 95 -17.091 -9.067 18.230 738 HG21 ILE 95 HG21 ILE 95 -19.539 -7.632 20.610 739 HG22 ILE 95 HG22 ILE 95 -18.385 -7.389 21.923 740 HG23 ILE 95 HG23 ILE 95 -18.894 -9.019 21.485 741 HD11 ILE 95 HD11 ILE 95 -17.022 -10.867 19.889 742 HD12 ILE 95 HD12 ILE 95 -18.204 -11.192 18.621 743 HD13 ILE 95 HD13 ILE 95 -18.743 -10.636 20.205 744 H TYR 96 HN TYR 96 -18.734 -4.844 20.109 745 HA TYR 96 HA TYR 96 -17.226 -4.077 22.492 746 HB2 TYR 96 HB2 TYR 96 -16.629 -2.730 20.338 747 HB3 TYR 96 HB1 TYR 96 -18.197 -1.971 20.585 748 HD1 TYR 96 HD1 TYR 96 -14.806 -2.354 21.868 749 HD2 TYR 96 HD2 TYR 96 -18.568 -0.473 22.470 750 HE1 TYR 96 HE1 TYR 96 -13.767 -0.816 23.475 751 HE2 TYR 96 HE2 TYR 96 -17.542 1.072 24.075 752 HH TYR 96 HH TYR 96 -14.186 1.407 24.410 753 H CYS 97 HN CYS 97 -18.531 -3.534 24.154 754 HA CYS 97 HA CYS 97 -20.358 -3.018 25.391 755 HB2 CYS 97 HB2 CYS 97 -20.600 -1.112 23.751 756 HB3 CYS 97 HB1 CYS 97 -21.708 -2.118 22.831 757 HG CYS 97 HG CYS 97 -22.276 -0.246 25.500 758 H GLY 98 HN GLY 98 -20.070 -5.539 23.569 759 HA2 GLY 98 HA2 GLY 98 -21.215 -7.569 24.103 760 HA3 GLY 98 HA1 GLY 98 -22.672 -6.634 24.378 761 H ALA 99 HN ALA 99 -21.389 -5.389 21.625 762 HA ALA 99 HA ALA 99 -22.566 -7.428 19.878 763 HB1 ALA 99 HB1 ALA 99 -23.252 -4.499 19.730 764 HB2 ALA 99 HB2 ALA 99 -24.315 -5.778 20.325 765 HB3 ALA 99 HB3 ALA 99 -23.808 -5.765 18.635 766 H ALA 100 HN ALA 100 -21.916 -7.255 17.669 767 HA ALA 100 HA ALA 100 -19.233 -6.178 17.431 768 HB1 ALA 100 HB1 ALA 100 -19.660 -8.463 16.659 769 HB2 ALA 100 HB2 ALA 100 -19.138 -7.422 15.330 770 HB3 ALA 100 HB3 ALA 100 -20.841 -7.850 15.499 771 H ILE 101 HN ILE 101 -18.730 -4.387 16.363 772 HA ILE 101 HA ILE 101 -20.881 -2.867 15.172 773 HB ILE 101 HB ILE 101 -19.175 -1.055 14.895 774 HG12 ILE 101 HG12 ILE 101 -17.356 -2.938 16.419 775 HG13 ILE 101 HG11 ILE 101 -17.170 -2.494 14.725 776 HG21 ILE 101 HG21 ILE 101 -18.947 -0.546 17.305 777 HG22 ILE 101 HG22 ILE 101 -19.497 -2.181 17.673 778 HG23 ILE 101 HG23 ILE 101 -20.575 -1.053 16.849 779 HD11 ILE 101 HD11 ILE 101 -15.632 -1.244 16.155 780 HD12 ILE 101 HD12 ILE 101 -16.995 -0.600 17.071 781 HD13 ILE 101 HD13 ILE 101 -16.791 -0.165 15.375 782 H GLY 102 HN GLY 102 -21.203 -2.520 13.068 783 HA2 GLY 102 HA2 GLY 102 -19.499 -4.064 11.246 784 HA3 GLY 102 HA1 GLY 102 -21.163 -3.593 10.936 785 H CYS 103 HN CYS 103 -18.315 -3.159 9.731 786 HA CYS 103 HA CYS 103 -18.840 -0.362 9.053 787 HB2 CYS 103 HB2 CYS 103 -16.935 -0.487 10.620 788 HB3 CYS 103 HB1 CYS 103 -16.114 -1.581 9.511 789 HG CYS 103 HG CYS 103 -15.080 1.096 9.490 790 H VAL 104 HN VAL 104 -19.086 -0.096 6.974 791 HA VAL 104 HA VAL 104 -17.724 -1.915 5.115 792 HB VAL 104 HB VAL 104 -19.747 -1.911 3.655 793 HG11 VAL 104 HG11 VAL 104 -19.325 -3.825 5.101 794 HG12 VAL 104 HG12 VAL 104 -21.056 -3.528 4.961 795 HG13 VAL 104 HG13 VAL 104 -20.194 -3.039 6.417 796 HG21 VAL 104 HG21 VAL 104 -21.068 -0.635 6.047 797 HG22 VAL 104 HG22 VAL 104 -21.915 -1.273 4.638 798 HG23 VAL 104 HG23 VAL 104 -20.824 0.102 4.462 799 HA PRO 105 HA PRO 105 -16.587 1.691 2.833 800 HB2 PRO 105 HB2 PRO 105 -17.450 0.453 0.300 801 HB3 PRO 105 HB1 PRO 105 -15.829 0.926 0.818 802 HG2 PRO 105 HG2 PRO 105 -16.554 -1.654 0.632 803 HG3 PRO 105 HG1 PRO 105 -15.437 -1.077 1.884 804 HD2 PRO 105 HD2 PRO 105 -18.343 -1.740 2.095 805 HD3 PRO 105 HD1 PRO 105 -17.023 -2.085 3.229 806 H TYR 106 HN TYR 106 -17.404 3.494 1.732 807 HA TYR 106 HA TYR 106 -20.088 4.104 2.184 808 HB2 TYR 106 HB2 TYR 106 -18.270 5.783 1.970 809 HB3 TYR 106 HB1 TYR 106 -18.183 5.442 0.248 810 HD1 TYR 106 HD1 TYR 106 -20.240 6.925 2.914 811 HD2 TYR 106 HD2 TYR 106 -19.789 6.359 -1.278 812 HE1 TYR 106 HE1 TYR 106 -21.949 8.640 2.513 813 HE2 TYR 106 HE2 TYR 106 -21.501 8.070 -1.700 814 HH TYR 106 HH TYR 106 -23.353 9.130 -0.586 815 H LYS 107 HN LYS 107 -21.695 3.042 1.250 816 HA LYS 107 HA LYS 107 -21.616 2.624 -1.658 817 HB2 LYS 107 HB2 LYS 107 -23.017 1.023 0.486 818 HB3 LYS 107 HB1 LYS 107 -23.244 0.773 -1.238 819 HG2 LYS 107 HG2 LYS 107 -20.861 0.229 -1.462 820 HG3 LYS 107 HG1 LYS 107 -20.662 0.458 0.276 821 HD2 LYS 107 HD2 LYS 107 -22.545 -1.550 -0.959 822 HD3 LYS 107 HD1 LYS 107 -20.903 -1.925 -0.437 823 HE2 LYS 107 HE2 LYS 107 -21.522 -1.150 1.848 824 HE3 LYS 107 HE1 LYS 107 -23.182 -0.965 1.289 825 HZ1 LYS 107 HZ1 LYS 107 -23.231 -3.328 0.774 826 HZ2 LYS 107 HZ2 LYS 107 -22.849 -3.090 2.399 827 HZ3 LYS 107 HZ3 LYS 107 -21.638 -3.501 1.301 828 H HIS 108 HN HIS 108 -23.078 3.690 -2.816 829 HA HIS 108 HA HIS 108 -24.718 5.642 -1.723 830 HB2 HIS 108 HB2 HIS 108 -25.802 5.748 -4.000 831 HB3 HIS 108 HB1 HIS 108 -24.060 5.926 -3.977 832 HD2 HIS 108 HD2 HIS 108 -22.664 4.026 -5.433 833 HE1 HIS 108 HE1 HIS 108 -26.053 1.840 -6.739 834 HE2 HIS 108 HE2 HIS 108 -23.634 2.405 -7.179 835 H GLU 109 HN GLU 109 -25.570 2.370 -2.720 836 HA GLU 109 HA GLU 109 -28.354 2.614 -2.419 837 HB2 GLU 109 HB2 GLU 109 -27.308 0.748 -3.580 838 HB3 GLU 109 HB1 GLU 109 -26.587 0.195 -2.076 839 HG2 GLU 109 HG2 GLU 109 -28.849 -0.181 -1.170 840 HG3 GLU 109 HG1 GLU 109 -29.520 0.283 -2.734 841 H LEU 110 HN LEU 110 -25.832 1.610 -0.170 842 HA LEU 110 HA LEU 110 -27.526 0.914 1.955 843 HB2 LEU 110 HB2 LEU 110 -25.186 0.225 1.847 844 HB3 LEU 110 HB1 LEU 110 -24.680 1.894 2.036 845 HG LEU 110 HG LEU 110 -25.685 1.927 4.293 846 HD11 LEU 110 HD11 LEU 110 -26.188 -0.998 3.769 847 HD12 LEU 110 HD12 LEU 110 -27.410 0.252 4.003 848 HD13 LEU 110 HD13 LEU 110 -26.347 -0.202 5.334 849 HD21 LEU 110 HD21 LEU 110 -23.325 1.424 4.028 850 HD22 LEU 110 HD22 LEU 110 -23.701 -0.283 3.804 851 HD23 LEU 110 HD23 LEU 110 -24.009 0.490 5.359 852 H ILE 111 HN ILE 111 -25.901 3.940 1.121 853 HA ILE 111 HA ILE 111 -26.689 5.392 3.393 854 HB ILE 111 HB ILE 111 -26.167 6.455 0.608 855 HG12 ILE 111 HG12 ILE 111 -24.276 5.126 1.429 856 HG13 ILE 111 HG11 ILE 111 -23.860 6.831 1.381 857 HG21 ILE 111 HG21 ILE 111 -26.075 7.849 3.289 858 HG22 ILE 111 HG22 ILE 111 -27.284 8.096 2.031 859 HG23 ILE 111 HG23 ILE 111 -25.608 8.567 1.748 860 HD11 ILE 111 HD11 ILE 111 -22.999 5.770 3.386 861 HD12 ILE 111 HD12 ILE 111 -24.626 5.261 3.835 862 HD13 ILE 111 HD13 ILE 111 -24.219 6.977 3.794 863 H SER 112 HN SER 112 -28.213 4.956 0.224 864 HA SER 112 HA SER 112 -30.379 6.689 0.599 865 HB2 SER 112 HB2 SER 112 -29.621 5.476 -1.535 866 HB3 SER 112 HB1 SER 112 -30.544 4.105 -0.940 867 HG SER 112 HG SER 112 -32.330 5.069 -1.492 868 H GLU 113 HN GLU 113 -30.031 3.218 1.294 869 HA GLU 113 HA GLU 113 -32.637 2.840 2.315 870 HB2 GLU 113 HB2 GLU 113 -31.255 0.952 1.641 871 HB3 GLU 113 HB1 GLU 113 -30.094 1.316 2.907 872 HG2 GLU 113 HG2 GLU 113 -31.475 -0.553 3.549 873 HG3 GLU 113 HG1 GLU 113 -31.795 0.823 4.602 874 H LEU 114 HN LEU 114 -29.601 3.706 3.902 875 HA LEU 114 HA LEU 114 -30.575 3.687 6.535 876 HB2 LEU 114 HB2 LEU 114 -28.328 5.236 5.287 877 HB3 LEU 114 HB1 LEU 114 -28.635 5.149 7.011 878 HG LEU 114 HG LEU 114 -27.930 2.828 5.223 879 HD11 LEU 114 HD11 LEU 114 -26.370 4.240 7.351 880 HD12 LEU 114 HD12 LEU 114 -26.070 4.308 5.613 881 HD13 LEU 114 HD13 LEU 114 -25.852 2.790 6.489 882 HD21 LEU 114 HD21 LEU 114 -27.765 1.542 7.312 883 HD22 LEU 114 HD22 LEU 114 -29.408 2.099 7.000 884 HD23 LEU 114 HD23 LEU 114 -28.413 2.923 8.200 885 H SER 115 HN SER 115 -30.516 6.141 4.038 886 HA SER 115 HA SER 115 -31.499 8.245 5.726 887 HB2 SER 115 HB2 SER 115 -31.241 8.127 2.716 888 HB3 SER 115 HB1 SER 115 -31.549 9.579 3.670 889 HG SER 115 HG SER 115 -29.240 7.930 3.735 890 H ARG 116 HN ARG 116 -33.051 5.608 4.459 891 HA ARG 116 HA ARG 116 -35.403 6.611 3.319 892 HB2 ARG 116 HB2 ARG 116 -34.812 4.089 4.836 893 HB3 ARG 116 HB1 ARG 116 -36.433 4.444 4.267 894 HG2 ARG 116 HG2 ARG 116 -34.047 4.369 2.439 895 HG3 ARG 116 HG1 ARG 116 -35.044 2.953 2.786 896 HD2 ARG 116 HD2 ARG 116 -35.985 5.556 1.581 897 HD3 ARG 116 HD1 ARG 116 -35.771 4.029 0.723 898 HE ARG 116 HE ARG 116 -37.498 3.518 2.828 899 HH11 ARG 116 HH11 ARG 116 -37.509 5.499 -0.083 900 HH12 ARG 116 HH12 ARG 116 -39.233 5.467 -0.236 901 HH21 ARG 116 HH21 ARG 116 -39.783 3.494 2.613 902 HH22 ARG 116 HH22 ARG 116 -40.524 4.328 1.289 903 H GLU 117 HN GLU 117 -34.649 5.930 6.704 904 HA GLU 117 HA GLU 117 -37.186 7.176 7.437 905 HB2 GLU 117 HB2 GLU 117 -35.256 5.553 9.098 906 HB3 GLU 117 HB1 GLU 117 -36.753 6.257 9.698 907 HG2 GLU 117 HG2 GLU 117 -38.005 4.915 8.034 908 HG3 GLU 117 HG1 GLU 117 -36.492 4.147 7.564 909 H GLY 118 HN GLY 118 -34.565 8.414 6.541 910 HA2 GLY 118 HA2 GLY 118 -33.715 9.963 8.830 911 HA3 GLY 118 HA1 GLY 118 -33.146 10.136 7.176 912 H HIS 119 HN HIS 119 -36.229 10.171 6.570 913 HA HIS 119 HA HIS 119 -36.982 12.757 7.595 914 HB2 HIS 119 HB2 HIS 119 -37.179 13.914 5.506 915 HB3 HIS 119 HB1 HIS 119 -35.551 13.261 5.560 916 HD2 HIS 119 HD2 HIS 119 -35.104 11.086 3.741 917 HE1 HIS 119 HE1 HIS 119 -38.585 11.897 1.462 918 HE2 HIS 119 HE2 HIS 119 -36.272 10.918 1.444 919 H HIS 120 HN HIS 120 -39.213 13.275 7.138 920 HA HIS 120 HA HIS 120 -40.810 11.092 6.057 921 HB2 HIS 120 HB2 HIS 120 -41.084 12.132 8.881 922 HB3 HIS 120 HB1 HIS 120 -42.354 11.226 8.065 923 HD2 HIS 120 HD2 HIS 120 -41.635 8.505 7.474 924 HE1 HIS 120 HE1 HIS 120 -38.454 8.439 10.275 925 HE2 HIS 120 HE2 HIS 120 -39.859 7.081 8.681 926 H HIS 121 HN HIS 121 -43.150 11.690 5.960 927 HA HIS 121 HA HIS 121 -44.849 13.009 5.259 928 HB2 HIS 121 HB2 HIS 121 -44.575 14.429 7.189 929 HB3 HIS 121 HB1 HIS 121 -43.209 15.259 6.448 930 HD2 HIS 121 HD2 HIS 121 -43.886 17.461 4.980 931 HE1 HIS 121 HE1 HIS 121 -48.079 16.845 4.932 932 HE2 HIS 121 HE2 HIS 121 -46.217 18.471 4.494 933 H HIS 122 HN HIS 122 -41.691 14.399 4.483 934 HA HIS 122 HA HIS 122 -42.478 15.727 2.139 935 HB2 HIS 122 HB2 HIS 122 -40.333 16.149 3.298 936 HB3 HIS 122 HB1 HIS 122 -39.768 14.553 2.813 937 HD2 HIS 122 HD2 HIS 122 -40.641 17.991 1.100 938 HE1 HIS 122 HE1 HIS 122 -38.112 15.764 -1.470 939 HE2 HIS 122 HE2 HIS 122 -39.528 17.821 -1.225 940 H HIS 123 HN HIS 123 -42.981 15.017 0.197 941 HA HIS 123 HA HIS 123 -42.261 12.263 -0.538 942 HB2 HIS 123 HB2 HIS 123 -44.772 12.889 0.087 943 HB3 HIS 123 HB1 HIS 123 -44.791 13.504 -1.558 944 HD2 HIS 123 HD2 HIS 123 -44.828 10.130 0.343 945 HE1 HIS 123 HE1 HIS 123 -44.979 9.275 -3.808 946 HE2 HIS 123 HE2 HIS 123 -45.077 8.315 -1.481 947 H HIS 124 HN HIS 124 -43.204 12.349 -3.162 948 HA HIS 124 HA HIS 124 -41.209 14.095 -4.354 949 HB2 HIS 124 HB2 HIS 124 -43.024 12.005 -5.588 950 HB3 HIS 124 HB1 HIS 124 -41.761 12.881 -6.443 951 HD2 HIS 124 HD2 HIS 124 -39.227 11.833 -6.173 952 HE1 HIS 124 HE1 HIS 124 -40.250 8.776 -3.420 953 HE2 HIS 124 HE2 HIS 124 -38.559 9.587 -5.084 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -18.884 3.878 -19.058 2 H2 MET 1 HT2 MET 1 -19.158 2.419 -18.253 3 H3 MET 1 HT3 MET 1 -20.391 3.121 -19.171 4 HA MET 1 HA MET 1 -19.417 1.275 -20.339 5 HB2 MET 1 HB2 MET 1 -20.260 3.134 -21.674 6 HB3 MET 1 HB1 MET 1 -18.732 3.986 -21.515 7 HG2 MET 1 HG2 MET 1 -17.620 2.176 -22.759 8 HG3 MET 1 HG1 MET 1 -19.179 1.379 -22.960 9 HE1 MET 1 HE1 MET 1 -18.318 2.763 -26.558 10 HE2 MET 1 HE2 MET 1 -18.689 1.324 -25.611 11 HE3 MET 1 HE3 MET 1 -17.167 2.175 -25.356 12 H SER 2 HN SER 2 -17.748 -0.008 -20.022 13 HA SER 2 HA SER 2 -15.645 -0.812 -19.808 14 HB2 SER 2 HB2 SER 2 -14.829 1.623 -21.412 15 HB3 SER 2 HB1 SER 2 -13.947 0.100 -21.278 16 HG SER 2 HG SER 2 -16.359 -0.544 -22.061 17 H LEU 3 HN LEU 3 -16.369 0.259 -17.553 18 HA LEU 3 HA LEU 3 -15.698 1.105 -15.564 19 HB2 LEU 3 HB2 LEU 3 -13.023 0.847 -16.920 20 HB3 LEU 3 HB1 LEU 3 -13.147 1.537 -15.317 21 HG LEU 3 HG LEU 3 -12.504 -0.757 -15.114 22 HD11 LEU 3 HD11 LEU 3 -14.280 -1.648 -13.711 23 HD12 LEU 3 HD12 LEU 3 -15.408 -0.467 -14.372 24 HD13 LEU 3 HD13 LEU 3 -14.027 0.070 -13.416 25 HD21 LEU 3 HD21 LEU 3 -14.965 -1.454 -16.711 26 HD22 LEU 3 HD22 LEU 3 -13.875 -2.609 -15.944 27 HD23 LEU 3 HD23 LEU 3 -13.294 -1.590 -17.261 28 H GLY 4 HN GLY 4 -14.118 3.041 -14.642 29 HA2 GLY 4 HA2 GLY 4 -13.585 5.313 -14.764 30 HA3 GLY 4 HA1 GLY 4 -14.255 5.358 -16.388 31 H SER 5 HN SER 5 -15.696 4.305 -13.338 32 HA SER 5 HA SER 5 -18.176 5.545 -13.818 33 HB2 SER 5 HB2 SER 5 -17.011 4.726 -11.147 34 HB3 SER 5 HB1 SER 5 -18.721 4.924 -11.543 35 HG SER 5 HG SER 5 -18.031 3.260 -13.294 36 H GLU 6 HN GLU 6 -15.274 6.606 -12.142 37 HA GLU 6 HA GLU 6 -14.573 8.534 -11.289 38 HB2 GLU 6 HB2 GLU 6 -16.751 9.718 -13.005 39 HB3 GLU 6 HB1 GLU 6 -15.400 10.558 -12.267 40 HG2 GLU 6 HG2 GLU 6 -13.832 9.285 -13.622 41 HG3 GLU 6 HG1 GLU 6 -15.181 8.428 -14.366 42 H SER 7 HN SER 7 -16.548 7.073 -9.803 43 HA SER 7 HA SER 7 -18.470 8.838 -8.702 44 HB2 SER 7 HB2 SER 7 -18.583 7.002 -6.909 45 HB3 SER 7 HB1 SER 7 -18.999 6.535 -8.558 46 HG SER 7 HG SER 7 -17.407 5.197 -7.245 47 H GLU 8 HN GLU 8 -15.683 7.372 -7.302 48 HA GLU 8 HA GLU 8 -14.227 7.946 -5.638 49 HB2 GLU 8 HB2 GLU 8 -14.651 10.657 -6.873 50 HB3 GLU 8 HB1 GLU 8 -13.384 10.274 -5.719 51 HG2 GLU 8 HG2 GLU 8 -12.436 8.662 -7.253 52 HG3 GLU 8 HG1 GLU 8 -13.732 8.979 -8.406 53 H THR 9 HN THR 9 -15.592 7.412 -3.886 54 HA THR 9 HA THR 9 -17.199 9.495 -2.700 55 HB THR 9 HB THR 9 -17.884 7.080 -2.578 56 HG1 THR 9 HG1 THR 9 -18.555 8.736 -1.006 57 HG21 THR 9 HG21 THR 9 -16.812 5.644 -0.884 58 HG22 THR 9 HG22 THR 9 -15.589 6.886 -0.613 59 HG23 THR 9 HG23 THR 9 -15.688 6.075 -2.175 60 H GLY 10 HN GLY 10 -13.962 8.442 -2.515 61 HA2 GLY 10 HA2 GLY 10 -12.222 9.599 -1.497 62 HA3 GLY 10 HA1 GLY 10 -13.405 10.500 -0.562 63 H ASN 11 HN ASN 11 -12.353 10.234 1.350 64 HA ASN 11 HA ASN 11 -11.881 7.524 2.349 65 HB2 ASN 11 HB2 ASN 11 -11.021 10.245 3.338 66 HB3 ASN 11 HB1 ASN 11 -10.783 8.774 4.277 67 HD21 ASN 11 HD21 ASN 11 -9.825 10.574 1.471 68 HD22 ASN 11 HD22 ASN 11 -8.420 9.636 1.102 69 H ALA 12 HN ALA 12 -14.559 8.873 2.072 70 HA ALA 12 HA ALA 12 -15.439 9.064 4.831 71 HB1 ALA 12 HB1 ALA 12 -16.333 10.644 3.186 72 HB2 ALA 12 HB2 ALA 12 -17.609 9.652 3.893 73 HB3 ALA 12 HB3 ALA 12 -17.018 9.298 2.270 74 H VAL 13 HN VAL 13 -16.364 7.477 5.934 75 HA VAL 13 HA VAL 13 -17.305 5.095 4.485 76 HB VAL 13 HB VAL 13 -16.433 3.678 6.339 77 HG11 VAL 13 HG11 VAL 13 -15.176 3.873 4.269 78 HG12 VAL 13 HG12 VAL 13 -14.089 3.727 5.648 79 HG13 VAL 13 HG13 VAL 13 -14.344 5.300 4.893 80 HG21 VAL 13 HG21 VAL 13 -14.983 6.189 7.186 81 HG22 VAL 13 HG22 VAL 13 -14.770 4.578 7.874 82 HG23 VAL 13 HG23 VAL 13 -16.307 5.419 8.065 83 H VAL 14 HN VAL 14 -18.720 3.708 5.857 84 HA VAL 14 HA VAL 14 -20.318 5.386 7.677 85 HB VAL 14 HB VAL 14 -21.279 3.093 5.936 86 HG11 VAL 14 HG11 VAL 14 -22.518 3.258 8.037 87 HG12 VAL 14 HG12 VAL 14 -23.523 3.726 6.666 88 HG13 VAL 14 HG13 VAL 14 -22.837 4.965 7.717 89 HG21 VAL 14 HG21 VAL 14 -21.827 6.047 5.688 90 HG22 VAL 14 HG22 VAL 14 -22.478 4.771 4.658 91 HG23 VAL 14 HG23 VAL 14 -20.748 5.115 4.649 92 H VAL 15 HN VAL 15 -20.432 4.692 9.714 93 HA VAL 15 HA VAL 15 -19.694 1.888 10.275 94 HB VAL 15 HB VAL 15 -19.529 4.212 12.213 95 HG11 VAL 15 HG11 VAL 15 -19.758 1.982 13.214 96 HG12 VAL 15 HG12 VAL 15 -18.192 2.715 13.567 97 HG13 VAL 15 HG13 VAL 15 -18.320 1.454 12.343 98 HG21 VAL 15 HG21 VAL 15 -17.329 3.002 10.547 99 HG22 VAL 15 HG22 VAL 15 -17.082 4.127 11.882 100 HG23 VAL 15 HG23 VAL 15 -17.953 4.650 10.439 101 H PHE 16 HN PHE 16 -21.194 0.666 11.297 102 HA PHE 16 HA PHE 16 -23.435 2.010 12.599 103 HB2 PHE 16 HB2 PHE 16 -25.068 0.566 11.359 104 HB3 PHE 16 HB1 PHE 16 -24.280 1.795 10.381 105 HD1 PHE 16 HD1 PHE 16 -24.343 -1.819 11.158 106 HD2 PHE 16 HD2 PHE 16 -22.971 1.208 8.502 107 HE1 PHE 16 HE1 PHE 16 -23.659 -3.549 9.544 108 HE2 PHE 16 HE2 PHE 16 -22.289 -0.514 6.886 109 HZ PHE 16 HZ PHE 16 -22.630 -2.895 7.405 110 H GLY 17 HN GLY 17 -24.874 0.492 13.728 111 HA2 GLY 17 HA2 GLY 17 -25.145 -1.811 14.534 112 HA3 GLY 17 HA1 GLY 17 -23.393 -1.915 14.599 113 H TYR 18 HN TYR 18 -23.918 1.095 15.615 114 HA TYR 18 HA TYR 18 -24.317 0.246 18.393 115 HB2 TYR 18 HB2 TYR 18 -22.698 1.931 19.122 116 HB3 TYR 18 HB1 TYR 18 -21.956 0.751 18.055 117 HD1 TYR 18 HD1 TYR 18 -23.226 4.228 18.259 118 HD2 TYR 18 HD2 TYR 18 -20.895 1.443 16.034 119 HE1 TYR 18 HE1 TYR 18 -22.334 6.063 16.892 120 HE2 TYR 18 HE2 TYR 18 -20.005 3.286 14.669 121 HH TYR 18 HH TYR 18 -20.342 6.538 15.515 122 H ARG 19 HN ARG 19 -24.665 2.329 19.803 123 HA ARG 19 HA ARG 19 -26.516 4.150 18.441 124 HB2 ARG 19 HB2 ARG 19 -28.169 3.891 20.200 125 HB3 ARG 19 HB1 ARG 19 -27.844 2.329 19.461 126 HG2 ARG 19 HG2 ARG 19 -26.447 1.716 21.371 127 HG3 ARG 19 HG1 ARG 19 -26.721 3.307 22.073 128 HD2 ARG 19 HD2 ARG 19 -28.194 1.684 23.105 129 HD3 ARG 19 HD1 ARG 19 -29.126 2.856 22.178 130 HE ARG 19 HE ARG 19 -28.472 0.441 20.738 131 HH11 ARG 19 HH11 ARG 19 -30.794 2.029 22.840 132 HH12 ARG 19 HH12 ARG 19 -32.108 1.011 22.377 133 HH21 ARG 19 HH21 ARG 19 -30.232 -0.915 20.105 134 HH22 ARG 19 HH22 ARG 19 -31.783 -0.670 20.831 135 H GLU 20 HN GLU 20 -27.061 6.056 19.832 136 HA GLU 20 HA GLU 20 -24.724 7.197 20.985 137 HB2 GLU 20 HB2 GLU 20 -26.489 8.509 19.805 138 HB3 GLU 20 HB1 GLU 20 -27.599 8.162 21.119 139 HG2 GLU 20 HG2 GLU 20 -26.782 10.385 21.376 140 HG3 GLU 20 HG1 GLU 20 -26.084 9.392 22.652 141 H ALA 21 HN ALA 21 -24.147 5.780 22.588 142 HA ALA 21 HA ALA 21 -25.095 6.289 25.211 143 HB1 ALA 21 HB1 ALA 21 -25.913 4.044 25.775 144 HB2 ALA 21 HB2 ALA 21 -25.724 3.550 24.093 145 HB3 ALA 21 HB3 ALA 21 -26.909 4.783 24.516 146 H ILE 22 HN ILE 22 -23.431 4.184 22.987 147 HA ILE 22 HA ILE 22 -21.411 3.359 24.904 148 HB ILE 22 HB ILE 22 -20.468 2.095 22.979 149 HG12 ILE 22 HG12 ILE 22 -22.118 2.019 20.921 150 HG13 ILE 22 HG11 ILE 22 -22.563 3.632 21.450 151 HG21 ILE 22 HG21 ILE 22 -22.171 1.036 24.343 152 HG22 ILE 22 HG22 ILE 22 -22.365 0.550 22.659 153 HG23 ILE 22 HG23 ILE 22 -23.445 1.757 23.351 154 HD11 ILE 22 HD11 ILE 22 -20.202 4.336 21.179 155 HD12 ILE 22 HD12 ILE 22 -20.898 3.745 19.676 156 HD13 ILE 22 HD13 ILE 22 -19.812 2.717 20.605 157 H THR 23 HN THR 23 -21.963 6.123 23.757 158 HA THR 23 HA THR 23 -20.259 7.097 21.931 159 HB THR 23 HB THR 23 -20.955 8.559 24.455 160 HG1 THR 23 HG1 THR 23 -22.783 8.994 22.578 161 HG21 THR 23 HG21 THR 23 -20.988 10.490 22.991 162 HG22 THR 23 HG22 THR 23 -20.681 9.462 21.595 163 HG23 THR 23 HG23 THR 23 -19.436 9.657 22.827 164 H LYS 24 HN LYS 24 -19.585 7.679 25.381 165 HA LYS 24 HA LYS 24 -16.998 8.549 24.911 166 HB2 LYS 24 HB2 LYS 24 -18.061 7.395 27.478 167 HB3 LYS 24 HB1 LYS 24 -16.723 8.522 27.297 168 HG2 LYS 24 HG2 LYS 24 -19.662 9.048 26.908 169 HG3 LYS 24 HG1 LYS 24 -18.562 9.779 28.076 170 HD2 LYS 24 HD2 LYS 24 -17.313 10.680 26.006 171 HD3 LYS 24 HD1 LYS 24 -18.765 10.273 25.115 172 HE2 LYS 24 HE2 LYS 24 -20.086 11.630 26.681 173 HE3 LYS 24 HE1 LYS 24 -18.589 12.128 27.463 174 HZ1 LYS 24 HZ1 LYS 24 -19.366 13.742 25.842 175 HZ2 LYS 24 HZ2 LYS 24 -19.262 12.581 24.616 176 HZ3 LYS 24 HZ3 LYS 24 -17.851 13.102 25.400 177 H GLN 25 HN GLN 25 -18.253 5.364 25.633 178 HA GLN 25 HA GLN 25 -15.868 4.104 26.379 179 HB2 GLN 25 HB2 GLN 25 -18.368 3.002 25.086 180 HB3 GLN 25 HB1 GLN 25 -17.055 1.997 25.673 181 HG2 GLN 25 HG2 GLN 25 -18.776 2.007 27.316 182 HG3 GLN 25 HG1 GLN 25 -17.421 2.939 27.938 183 HE21 GLN 25 HE21 GLN 25 -18.731 4.044 29.394 184 HE22 GLN 25 HE22 GLN 25 -19.861 5.250 28.886 185 H ILE 26 HN ILE 26 -17.516 3.989 23.191 186 HA ILE 26 HA ILE 26 -15.309 2.758 21.905 187 HB ILE 26 HB ILE 26 -17.824 2.821 21.192 188 HG12 ILE 26 HG12 ILE 26 -15.651 3.134 19.125 189 HG13 ILE 26 HG11 ILE 26 -15.980 1.669 20.049 190 HG21 ILE 26 HG21 ILE 26 -18.089 5.217 20.991 191 HG22 ILE 26 HG22 ILE 26 -18.251 4.488 19.388 192 HG23 ILE 26 HG23 ILE 26 -16.754 5.298 19.847 193 HD11 ILE 26 HD11 ILE 26 -16.907 1.623 17.764 194 HD12 ILE 26 HD12 ILE 26 -17.942 2.988 18.184 195 HD13 ILE 26 HD13 ILE 26 -18.140 1.446 19.015 196 H LEU 27 HN LEU 27 -16.180 6.005 22.607 197 HA LEU 27 HA LEU 27 -14.797 7.395 20.629 198 HB2 LEU 27 HB2 LEU 27 -16.500 8.357 22.124 199 HB3 LEU 27 HB1 LEU 27 -15.420 8.202 23.482 200 HG LEU 27 HG LEU 27 -14.699 9.931 21.126 201 HD11 LEU 27 HD11 LEU 27 -16.915 10.623 21.863 202 HD12 LEU 27 HD12 LEU 27 -15.699 11.815 22.320 203 HD13 LEU 27 HD13 LEU 27 -16.346 10.707 23.531 204 HD21 LEU 27 HD21 LEU 27 -13.975 9.998 24.055 205 HD22 LEU 27 HD22 LEU 27 -13.411 11.133 22.829 206 HD23 LEU 27 HD23 LEU 27 -12.942 9.433 22.748 207 H ALA 28 HN ALA 28 -13.781 6.163 23.774 208 HA ALA 28 HA ALA 28 -11.282 7.384 23.900 209 HB1 ALA 28 HB1 ALA 28 -12.302 6.182 25.774 210 HB2 ALA 28 HB2 ALA 28 -10.653 5.642 25.469 211 HB3 ALA 28 HB3 ALA 28 -12.017 4.655 24.944 212 H TYR 29 HN TYR 29 -12.323 4.743 21.892 213 HA TYR 29 HA TYR 29 -9.583 3.978 21.283 214 HB2 TYR 29 HB2 TYR 29 -11.234 2.192 21.567 215 HB3 TYR 29 HB1 TYR 29 -12.191 2.853 20.248 216 HD1 TYR 29 HD1 TYR 29 -8.952 1.234 21.067 217 HD2 TYR 29 HD2 TYR 29 -11.690 2.310 17.994 218 HE1 TYR 29 HE1 TYR 29 -7.694 -0.146 19.462 219 HE2 TYR 29 HE2 TYR 29 -10.445 0.943 16.393 220 HH TYR 29 HH TYR 29 -8.189 0.066 16.114 221 H PHE 30 HN PHE 30 -12.403 5.305 19.497 222 HA PHE 30 HA PHE 30 -10.743 5.566 17.114 223 HB2 PHE 30 HB2 PHE 30 -13.684 5.913 17.583 224 HB3 PHE 30 HB1 PHE 30 -12.921 6.434 16.085 225 HD1 PHE 30 HD2 PHE 30 -11.813 4.760 14.620 226 HD2 PHE 30 HD1 PHE 30 -14.149 3.629 17.991 227 HE1 PHE 30 HE2 PHE 30 -12.001 2.482 13.714 228 HE2 PHE 30 HE1 PHE 30 -14.338 1.340 17.092 229 HZ PHE 30 HZ PHE 30 -13.260 0.765 14.952 230 H ALA 31 HN ALA 31 -11.419 7.565 19.714 231 HA ALA 31 HA ALA 31 -11.729 10.031 18.357 232 HB1 ALA 31 HB1 ALA 31 -10.715 9.577 21.153 233 HB2 ALA 31 HB2 ALA 31 -12.404 9.772 20.667 234 HB3 ALA 31 HB3 ALA 31 -11.269 11.110 20.482 235 H GLN 32 HN GLN 32 -9.108 8.034 18.432 236 HA GLN 32 HA GLN 32 -6.878 9.677 18.686 237 HB2 GLN 32 HB2 GLN 32 -7.358 7.405 16.782 238 HB3 GLN 32 HB1 GLN 32 -5.795 8.149 17.082 239 HG2 GLN 32 HG2 GLN 32 -6.060 7.553 19.479 240 HG3 GLN 32 HG1 GLN 32 -7.503 6.646 19.025 241 HE21 GLN 32 HE21 GLN 32 -4.096 6.833 18.909 242 HE22 GLN 32 HE22 GLN 32 -3.823 5.249 18.296 243 H PHE 33 HN PHE 33 -9.068 9.139 15.981 244 HA PHE 33 HA PHE 33 -7.780 11.337 14.529 245 HB2 PHE 33 HB2 PHE 33 -9.609 9.143 13.527 246 HB3 PHE 33 HB1 PHE 33 -8.967 10.447 12.533 247 HD1 PHE 33 HD2 PHE 33 -6.518 10.597 12.135 248 HD2 PHE 33 HD1 PHE 33 -8.296 7.236 14.051 249 HE1 PHE 33 HE2 PHE 33 -4.485 9.280 11.702 250 HE2 PHE 33 HE1 PHE 33 -6.263 5.913 13.622 251 HZ PHE 33 HZ PHE 33 -4.358 6.934 12.447 252 H GLY 34 HN GLY 34 -10.434 10.543 16.411 253 HA2 GLY 34 HA2 GLY 34 -11.988 12.054 17.267 254 HA3 GLY 34 HA1 GLY 34 -11.544 13.183 16.004 255 H GLU 35 HN GLU 35 -14.114 12.912 16.763 256 HA GLU 35 HA GLU 35 -16.203 12.815 15.945 257 HB2 GLU 35 HB2 GLU 35 -15.133 13.724 13.902 258 HB3 GLU 35 HB1 GLU 35 -14.893 12.088 13.328 259 HG2 GLU 35 HG2 GLU 35 -17.248 11.736 13.159 260 HG3 GLU 35 HG1 GLU 35 -17.552 13.303 13.900 261 H ILE 36 HN ILE 36 -17.499 11.284 16.732 262 HA ILE 36 HA ILE 36 -17.472 8.668 15.465 263 HB ILE 36 HB ILE 36 -15.976 8.536 17.506 264 HG12 ILE 36 HG12 ILE 36 -17.027 6.399 18.336 265 HG13 ILE 36 HG11 ILE 36 -18.327 6.739 17.201 266 HG21 ILE 36 HG21 ILE 36 -17.108 9.935 19.038 267 HG22 ILE 36 HG22 ILE 36 -16.928 8.308 19.697 268 HG23 ILE 36 HG23 ILE 36 -18.483 8.837 19.059 269 HD11 ILE 36 HD11 ILE 36 -15.440 6.521 16.459 270 HD12 ILE 36 HD12 ILE 36 -16.819 6.681 15.361 271 HD13 ILE 36 HD13 ILE 36 -16.612 5.211 16.320 272 H LEU 37 HN LEU 37 -18.973 10.674 17.945 273 HA LEU 37 HA LEU 37 -21.621 10.002 16.956 274 HB2 LEU 37 HB2 LEU 37 -20.647 9.576 19.766 275 HB3 LEU 37 HB1 LEU 37 -22.343 9.832 19.435 276 HG LEU 37 HG LEU 37 -22.071 7.775 17.846 277 HD11 LEU 37 HD11 LEU 37 -19.818 7.318 19.774 278 HD12 LEU 37 HD12 LEU 37 -19.652 7.641 18.048 279 HD13 LEU 37 HD13 LEU 37 -20.443 6.162 18.595 280 HD21 LEU 37 HD21 LEU 37 -22.007 7.525 20.811 281 HD22 LEU 37 HD22 LEU 37 -22.593 6.307 19.675 282 HD23 LEU 37 HD23 LEU 37 -23.431 7.861 19.823 283 H GLU 38 HN GLU 38 -23.105 11.381 18.844 284 HA GLU 38 HA GLU 38 -22.325 14.056 18.129 285 HB2 GLU 38 HB2 GLU 38 -24.747 12.989 19.543 286 HB3 GLU 38 HB1 GLU 38 -24.469 14.703 19.268 287 HG2 GLU 38 HG2 GLU 38 -24.362 14.235 16.838 288 HG3 GLU 38 HG1 GLU 38 -24.809 12.563 17.188 289 H ASP 39 HN ASP 39 -22.785 12.309 21.200 290 HA ASP 39 HA ASP 39 -22.214 14.681 22.691 291 HB2 ASP 39 HB2 ASP 39 -23.615 12.732 23.510 292 HB3 ASP 39 HB1 ASP 39 -22.106 11.871 23.778 293 H LEU 40 HN LEU 40 -20.332 15.551 23.050 294 HA LEU 40 HA LEU 40 -17.865 14.039 23.022 295 HB2 LEU 40 HB2 LEU 40 -18.851 15.166 20.690 296 HB3 LEU 40 HB1 LEU 40 -17.794 16.419 21.304 297 HG LEU 40 HG LEU 40 -16.524 15.176 19.777 298 HD11 LEU 40 HD11 LEU 40 -14.750 14.172 21.132 299 HD12 LEU 40 HD12 LEU 40 -15.809 14.223 22.542 300 HD13 LEU 40 HD13 LEU 40 -15.293 15.722 21.773 301 HD21 LEU 40 HD21 LEU 40 -17.916 13.233 19.548 302 HD22 LEU 40 HD22 LEU 40 -17.501 12.691 21.171 303 HD23 LEU 40 HD23 LEU 40 -16.269 12.719 19.907 304 H GLU 41 HN GLU 41 -17.204 14.756 24.973 305 HA GLU 41 HA GLU 41 -16.216 17.334 25.353 306 HB2 GLU 41 HB2 GLU 41 -17.715 18.215 27.107 307 HB3 GLU 41 HB1 GLU 41 -18.518 18.076 25.551 308 HG2 GLU 41 HG2 GLU 41 -19.658 16.072 26.282 309 HG3 GLU 41 HG1 GLU 41 -18.791 16.108 27.815 310 H SER 42 HN SER 42 -14.573 17.069 26.653 311 HA SER 42 HA SER 42 -13.170 16.364 28.263 312 HB2 SER 42 HB2 SER 42 -15.700 15.841 29.834 313 HB3 SER 42 HB1 SER 42 -14.077 16.023 30.505 314 HG SER 42 HG SER 42 -14.069 18.151 29.647 315 H GLU 43 HN GLU 43 -12.438 14.561 27.000 316 HA GLU 43 HA GLU 43 -13.072 12.037 28.338 317 HB2 GLU 43 HB2 GLU 43 -12.738 12.315 25.341 318 HB3 GLU 43 HB1 GLU 43 -12.884 10.797 26.206 319 HG2 GLU 43 HG2 GLU 43 -15.019 11.038 25.465 320 HG3 GLU 43 HG1 GLU 43 -15.139 11.873 27.012 321 H LEU 44 HN LEU 44 -10.870 13.222 25.783 322 HA LEU 44 HA LEU 44 -8.669 11.942 27.237 323 HB2 LEU 44 HB2 LEU 44 -8.960 12.545 24.298 324 HB3 LEU 44 HB1 LEU 44 -7.501 11.954 25.039 325 HG LEU 44 HG LEU 44 -8.975 9.935 25.772 326 HD11 LEU 44 HD11 LEU 44 -10.562 11.000 23.446 327 HD12 LEU 44 HD12 LEU 44 -11.109 10.912 25.122 328 HD13 LEU 44 HD13 LEU 44 -10.780 9.431 24.223 329 HD21 LEU 44 HD21 LEU 44 -7.120 9.808 24.196 330 HD22 LEU 44 HD22 LEU 44 -8.177 10.361 22.899 331 HD23 LEU 44 HD23 LEU 44 -8.472 8.803 23.670 332 H GLY 45 HN GLY 45 -7.003 13.147 27.887 333 HA2 GLY 45 HA2 GLY 45 -7.056 16.010 27.371 334 HA3 GLY 45 HA1 GLY 45 -5.965 15.168 28.469 335 H ASP 46 HN ASP 46 -5.610 13.209 26.169 336 HA ASP 46 HA ASP 46 -3.537 14.717 24.724 337 HB2 ASP 46 HB2 ASP 46 -2.671 12.865 26.114 338 HB3 ASP 46 HB1 ASP 46 -3.747 11.742 25.291 339 H THR 47 HN THR 47 -3.263 14.205 22.468 340 HA THR 47 HA THR 47 -3.958 14.046 20.342 341 HB THR 47 HB THR 47 -4.039 11.547 21.086 342 HG1 THR 47 HG1 THR 47 -5.669 12.010 18.839 343 HG21 THR 47 HG21 THR 47 -6.225 11.584 22.204 344 HG22 THR 47 HG22 THR 47 -6.241 10.466 20.838 345 HG23 THR 47 HG23 THR 47 -7.002 12.053 20.693 346 H GLU 48 HN GLU 48 -5.646 15.522 22.372 347 HA GLU 48 HA GLU 48 -8.334 15.522 21.474 348 HB2 GLU 48 HB2 GLU 48 -7.122 16.507 23.647 349 HB3 GLU 48 HB1 GLU 48 -7.098 17.964 22.672 350 HG2 GLU 48 HG2 GLU 48 -9.610 16.416 23.296 351 HG3 GLU 48 HG1 GLU 48 -9.016 17.758 24.267 352 H THR 49 HN THR 49 -5.430 17.254 20.518 353 HA THR 49 HA THR 49 -6.854 19.010 18.726 354 HB THR 49 HB THR 49 -4.762 19.763 19.814 355 HG1 THR 49 HG1 THR 49 -5.073 19.691 17.013 356 HG21 THR 49 HG21 THR 49 -3.466 17.734 17.995 357 HG22 THR 49 HG22 THR 49 -3.544 17.647 19.752 358 HG23 THR 49 HG23 THR 49 -2.608 18.927 18.975 359 H MET 50 HN MET 50 -6.132 15.805 18.562 360 HA MET 50 HA MET 50 -5.574 15.779 15.701 361 HB2 MET 50 HB2 MET 50 -5.626 13.630 17.798 362 HB3 MET 50 HB1 MET 50 -5.516 13.265 16.087 363 HG2 MET 50 HG2 MET 50 -3.557 14.887 17.693 364 HG3 MET 50 HG1 MET 50 -3.335 13.225 17.141 365 HE1 MET 50 HE1 MET 50 -4.620 13.374 14.188 366 HE2 MET 50 HE2 MET 50 -3.129 12.531 14.598 367 HE3 MET 50 HE3 MET 50 -3.155 13.668 13.252 368 H ARG 51 HN ARG 51 -8.180 16.028 17.630 369 HA ARG 51 HA ARG 51 -9.947 14.143 16.469 370 HB2 ARG 51 HB2 ARG 51 -10.418 16.647 18.069 371 HB3 ARG 51 HB1 ARG 51 -11.722 15.613 17.510 372 HG2 ARG 51 HG2 ARG 51 -10.835 13.746 18.818 373 HG3 ARG 51 HG1 ARG 51 -9.478 14.748 19.327 374 HD2 ARG 51 HD2 ARG 51 -10.846 16.159 20.594 375 HD3 ARG 51 HD1 ARG 51 -12.313 15.573 19.817 376 HE ARG 51 HE ARG 51 -11.282 13.378 21.040 377 HH11 ARG 51 HH11 ARG 51 -11.911 16.611 22.223 378 HH12 ARG 51 HH12 ARG 51 -12.631 16.071 23.707 379 HH21 ARG 51 HH21 ARG 51 -12.239 12.654 23.036 380 HH22 ARG 51 HH22 ARG 51 -12.878 13.824 24.146 381 H THR 52 HN THR 52 -10.278 14.190 14.384 382 HA THR 52 HA THR 52 -10.847 14.793 12.319 383 HB THR 52 HB THR 52 -12.074 17.287 13.321 384 HG1 THR 52 HG1 THR 52 -13.426 14.778 13.376 385 HG21 THR 52 HG21 THR 52 -13.764 16.770 11.596 386 HG22 THR 52 HG22 THR 52 -12.890 15.288 11.214 387 HG23 THR 52 HG23 THR 52 -12.136 16.853 10.918 388 HA PRO 53 HA PRO 53 -7.194 17.611 12.090 389 HB2 PRO 53 HB2 PRO 53 -6.158 16.256 9.946 390 HB3 PRO 53 HB1 PRO 53 -5.850 15.797 11.626 391 HG2 PRO 53 HG2 PRO 53 -7.878 14.710 9.706 392 HG3 PRO 53 HG1 PRO 53 -6.792 13.815 10.793 393 HD2 PRO 53 HD2 PRO 53 -9.371 14.252 11.417 394 HD3 PRO 53 HD1 PRO 53 -8.101 14.309 12.663 395 H GLY 54 HN GLY 54 -8.049 19.461 11.280 396 HA2 GLY 54 HA2 GLY 54 -7.872 20.626 9.030 397 HA3 GLY 54 HA1 GLY 54 -9.051 19.433 8.509 398 H TYR 55 HN TYR 55 -10.970 19.316 10.186 399 HA TYR 55 HA TYR 55 -11.754 22.071 10.815 400 HB2 TYR 55 HB2 TYR 55 -13.464 19.965 9.475 401 HB3 TYR 55 HB1 TYR 55 -14.087 21.478 10.124 402 HD1 TYR 55 HD2 TYR 55 -13.371 23.644 9.098 403 HD2 TYR 55 HD1 TYR 55 -12.391 19.891 7.342 404 HE1 TYR 55 HE2 TYR 55 -12.868 24.776 6.973 405 HE2 TYR 55 HE1 TYR 55 -11.888 21.015 5.211 406 HH TYR 55 HH TYR 55 -11.539 24.393 4.958 407 H PHE 56 HN PHE 56 -11.621 22.055 12.935 408 HA PHE 56 HA PHE 56 -12.204 19.802 14.567 409 HB2 PHE 56 HB2 PHE 56 -11.735 22.706 15.268 410 HB3 PHE 56 HB1 PHE 56 -11.881 21.409 16.449 411 HD1 PHE 56 HD2 PHE 56 -10.150 19.652 16.574 412 HD2 PHE 56 HD1 PHE 56 -9.735 23.040 14.030 413 HE1 PHE 56 HE2 PHE 56 -7.741 19.202 16.367 414 HE2 PHE 56 HE1 PHE 56 -7.326 22.593 13.819 415 HZ PHE 56 HZ PHE 56 -6.326 20.672 14.989 416 H PHE 57 HN PHE 57 -13.866 19.583 16.106 417 HA PHE 57 HA PHE 57 -16.437 20.447 15.219 418 HB2 PHE 57 HB2 PHE 57 -17.303 19.172 17.135 419 HB3 PHE 57 HB1 PHE 57 -16.094 18.226 16.303 420 HD1 PHE 57 HD2 PHE 57 -13.872 17.957 17.307 421 HD2 PHE 57 HD1 PHE 57 -17.101 19.803 19.332 422 HE1 PHE 57 HE2 PHE 57 -12.736 17.613 19.421 423 HE2 PHE 57 HE1 PHE 57 -15.978 19.463 21.454 424 HZ PHE 57 HZ PHE 57 -13.773 18.363 21.533 425 H GLN 58 HN GLN 58 -17.883 21.848 16.270 426 HA GLN 58 HA GLN 58 -16.557 23.745 18.080 427 HB2 GLN 58 HB2 GLN 58 -17.150 24.669 15.858 428 HB3 GLN 58 HB1 GLN 58 -18.835 24.281 16.170 429 HG2 GLN 58 HG2 GLN 58 -18.832 25.814 18.079 430 HG3 GLN 58 HG1 GLN 58 -17.148 26.208 17.753 431 HE21 GLN 58 HE21 GLN 58 -19.440 27.962 17.807 432 HE22 GLN 58 HE22 GLN 58 -19.542 28.697 16.245 433 H GLN 59 HN GLN 59 -17.250 23.664 20.084 434 HA GLN 59 HA GLN 59 -19.730 22.362 20.780 435 HB2 GLN 59 HB2 GLN 59 -17.596 23.688 22.461 436 HB3 GLN 59 HB1 GLN 59 -19.007 22.880 23.124 437 HG2 GLN 59 HG2 GLN 59 -18.270 20.768 22.177 438 HG3 GLN 59 HG1 GLN 59 -16.887 21.569 21.431 439 HE21 GLN 59 HE21 GLN 59 -15.158 22.216 22.714 440 HE22 GLN 59 HE22 GLN 59 -14.956 21.661 24.338 441 H ALA 60 HN ALA 60 -21.198 23.828 19.775 442 HA ALA 60 HA ALA 60 -21.888 26.059 21.511 443 HB1 ALA 60 HB1 ALA 60 -20.447 27.059 19.794 444 HB2 ALA 60 HB2 ALA 60 -22.109 27.633 19.654 445 HB3 ALA 60 HB3 ALA 60 -21.499 26.413 18.535 446 HA PRO 61 HA PRO 61 -25.964 24.499 20.771 447 HB2 PRO 61 HB2 PRO 61 -27.425 26.793 21.118 448 HB3 PRO 61 HB1 PRO 61 -26.749 25.851 22.454 449 HG2 PRO 61 HG2 PRO 61 -25.685 28.327 21.145 450 HG3 PRO 61 HG1 PRO 61 -25.763 27.923 22.869 451 HD2 PRO 61 HD2 PRO 61 -23.486 27.685 21.466 452 HD3 PRO 61 HD1 PRO 61 -23.906 26.540 22.759 453 H ASN 62 HN ASN 62 -24.677 27.111 18.921 454 HA ASN 62 HA ASN 62 -26.844 27.050 16.971 455 HB2 ASN 62 HB2 ASN 62 -24.287 28.671 16.942 456 HB3 ASN 62 HB1 ASN 62 -25.698 28.916 15.917 457 HD21 ASN 62 HD21 ASN 62 -27.557 29.842 16.809 458 HD22 ASN 62 HD22 ASN 62 -27.510 30.690 18.315 459 H ARG 63 HN ARG 63 -24.362 25.101 17.582 460 HA ARG 63 HA ARG 63 -23.854 24.576 14.746 461 HB2 ARG 63 HB2 ARG 63 -21.821 24.615 16.966 462 HB3 ARG 63 HB1 ARG 63 -21.541 23.803 15.434 463 HG2 ARG 63 HG2 ARG 63 -22.181 26.723 15.720 464 HG3 ARG 63 HG1 ARG 63 -20.553 26.059 15.583 465 HD2 ARG 63 HD2 ARG 63 -21.196 25.056 13.398 466 HD3 ARG 63 HD1 ARG 63 -22.761 25.849 13.535 467 HE ARG 63 HE ARG 63 -20.574 27.680 13.810 468 HH11 ARG 63 HH11 ARG 63 -22.595 26.028 11.473 469 HH12 ARG 63 HH12 ARG 63 -22.332 27.204 10.232 470 HH21 ARG 63 HH21 ARG 63 -20.218 29.228 12.173 471 HH22 ARG 63 HH22 ARG 63 -20.969 29.033 10.627 472 H ARG 64 HN ARG 64 -22.744 22.453 14.523 473 HA ARG 64 HA ARG 64 -24.385 20.434 15.825 474 HB2 ARG 64 HB2 ARG 64 -23.422 19.043 13.892 475 HB3 ARG 64 HB1 ARG 64 -24.628 20.278 13.531 476 HG2 ARG 64 HG2 ARG 64 -22.865 21.826 12.911 477 HG3 ARG 64 HG1 ARG 64 -21.651 20.592 13.256 478 HD2 ARG 64 HD2 ARG 64 -22.512 19.214 11.509 479 HD3 ARG 64 HD1 ARG 64 -23.856 20.331 11.245 480 HE ARG 64 HE ARG 64 -21.628 21.873 10.957 481 HH11 ARG 64 HH11 ARG 64 -22.770 18.923 9.438 482 HH12 ARG 64 HH12 ARG 64 -22.048 19.258 7.906 483 HH21 ARG 64 HH21 ARG 64 -20.675 22.349 8.912 484 HH22 ARG 64 HH22 ARG 64 -20.854 21.234 7.604 485 H ARG 65 HN ARG 65 -23.509 18.719 16.880 486 HA ARG 65 HA ARG 65 -21.001 19.072 18.116 487 HB2 ARG 65 HB2 ARG 65 -22.921 16.759 18.019 488 HB3 ARG 65 HB1 ARG 65 -21.468 16.764 19.003 489 HG2 ARG 65 HG2 ARG 65 -22.282 18.668 20.267 490 HG3 ARG 65 HG1 ARG 65 -23.712 18.766 19.233 491 HD2 ARG 65 HD2 ARG 65 -24.413 16.561 19.970 492 HD3 ARG 65 HD1 ARG 65 -22.972 16.413 20.970 493 HE ARG 65 HE ARG 65 -24.350 18.723 21.744 494 HH11 ARG 65 HH11 ARG 65 -24.811 15.241 21.759 495 HH12 ARG 65 HH12 ARG 65 -25.794 15.243 23.180 496 HH21 ARG 65 HH21 ARG 65 -25.659 18.723 23.638 497 HH22 ARG 65 HH22 ARG 65 -26.295 17.228 24.235 498 H ILE 66 HN ILE 66 -22.081 17.040 15.447 499 HA ILE 66 HA ILE 66 -19.287 16.248 14.996 500 HB ILE 66 HB ILE 66 -20.398 14.229 15.447 501 HG12 ILE 66 HG12 ILE 66 -20.538 14.409 12.441 502 HG13 ILE 66 HG11 ILE 66 -19.041 14.244 13.342 503 HG21 ILE 66 HG21 ILE 66 -22.700 15.042 15.367 504 HG22 ILE 66 HG22 ILE 66 -22.538 13.552 14.440 505 HG23 ILE 66 HG23 ILE 66 -22.637 15.103 13.609 506 HD11 ILE 66 HD11 ILE 66 -19.789 12.103 12.473 507 HD12 ILE 66 HD12 ILE 66 -21.324 12.271 13.332 508 HD13 ILE 66 HD13 ILE 66 -19.815 12.097 14.233 509 H SER 67 HN SER 67 -18.358 16.675 13.099 510 HA SER 67 HA SER 67 -19.478 18.673 11.457 511 HB2 SER 67 HB2 SER 67 -17.007 18.235 11.957 512 HB3 SER 67 HB1 SER 67 -17.098 16.960 10.744 513 HG SER 67 HG SER 67 -16.863 19.622 10.427 514 H ARG 68 HN ARG 68 -18.961 15.217 10.987 515 HA ARG 68 HA ARG 68 -20.063 15.260 8.319 516 HB2 ARG 68 HB2 ARG 68 -18.244 13.716 9.161 517 HB3 ARG 68 HB1 ARG 68 -19.488 12.872 10.065 518 HG2 ARG 68 HG2 ARG 68 -19.331 11.577 8.185 519 HG3 ARG 68 HG1 ARG 68 -20.646 12.667 7.749 520 HD2 ARG 68 HD2 ARG 68 -17.795 13.278 7.049 521 HD3 ARG 68 HD1 ARG 68 -18.788 12.241 6.034 522 HE ARG 68 HE ARG 68 -20.319 14.440 6.291 523 HH11 ARG 68 HH11 ARG 68 -16.955 13.950 5.383 524 HH12 ARG 68 HH12 ARG 68 -16.911 15.318 4.318 525 HH21 ARG 68 HH21 ARG 68 -20.258 16.234 4.850 526 HH22 ARG 68 HH22 ARG 68 -18.795 16.620 4.016 527 H GLU 69 HN GLU 69 -22.002 14.110 7.680 528 HA GLU 69 HA GLU 69 -24.150 14.473 9.512 529 HB2 GLU 69 HB2 GLU 69 -25.583 13.630 7.691 530 HB3 GLU 69 HB1 GLU 69 -24.487 14.879 7.123 531 HG2 GLU 69 HG2 GLU 69 -23.615 12.060 6.829 532 HG3 GLU 69 HG1 GLU 69 -24.914 12.631 5.785 533 H HIS 70 HN HIS 70 -25.459 12.935 10.452 534 HA HIS 70 HA HIS 70 -24.527 10.155 10.374 535 HB2 HIS 70 HB2 HIS 70 -24.604 9.960 12.771 536 HB3 HIS 70 HB1 HIS 70 -23.598 11.353 12.395 537 HD2 HIS 70 HD2 HIS 70 -26.437 10.472 14.679 538 HE1 HIS 70 HE1 HIS 70 -26.668 14.675 14.180 539 HE2 HIS 70 HE2 HIS 70 -27.171 12.727 15.691 540 H GLY 71 HN GLY 71 -26.160 8.630 11.238 541 HA2 GLY 71 HA2 GLY 71 -28.858 9.642 10.624 542 HA3 GLY 71 HA1 GLY 71 -28.315 7.994 10.345 543 H ARG 72 HN ARG 72 -29.041 6.580 11.742 544 HA ARG 72 HA ARG 72 -29.796 7.507 14.439 545 HB2 ARG 72 HB2 ARG 72 -30.920 5.239 12.802 546 HB3 ARG 72 HB1 ARG 72 -31.408 5.641 14.443 547 HG2 ARG 72 HG2 ARG 72 -32.257 7.784 13.686 548 HG3 ARG 72 HG1 ARG 72 -31.700 7.441 12.047 549 HD2 ARG 72 HD2 ARG 72 -34.067 7.001 12.197 550 HD3 ARG 72 HD1 ARG 72 -33.195 5.480 11.997 551 HE ARG 72 HE ARG 72 -33.881 6.312 14.706 552 HH11 ARG 72 HH11 ARG 72 -34.543 4.211 11.972 553 HH12 ARG 72 HH12 ARG 72 -35.476 3.094 12.902 554 HH21 ARG 72 HH21 ARG 72 -35.128 4.845 15.923 555 HH22 ARG 72 HH22 ARG 72 -35.828 3.467 15.147 556 H THR 73 HN THR 73 -29.214 4.339 13.048 557 HA THR 73 HA THR 73 -27.484 3.788 15.325 558 HB THR 73 HB THR 73 -27.742 1.429 14.504 559 HG1 THR 73 HG1 THR 73 -29.205 1.001 12.937 560 HG21 THR 73 HG21 THR 73 -28.999 2.287 16.418 561 HG22 THR 73 HG22 THR 73 -29.973 1.151 15.486 562 HG23 THR 73 HG23 THR 73 -30.249 2.886 15.327 563 H TRP 74 HN TRP 74 -27.005 5.195 12.627 564 HA TRP 74 HA TRP 74 -24.501 3.839 12.007 565 HB2 TRP 74 HB2 TRP 74 -24.942 4.305 9.563 566 HB3 TRP 74 HB1 TRP 74 -25.942 3.051 10.278 567 HD1 TRP 74 HD1 TRP 74 -28.560 3.739 10.780 568 HE1 TRP 74 HE1 TRP 74 -30.101 5.385 9.548 569 HE3 TRP 74 HE3 TRP 74 -25.007 6.475 8.319 570 HZ2 TRP 74 HZ2 TRP 74 -29.842 7.568 7.763 571 HZ3 TRP 74 HZ3 TRP 74 -25.740 8.322 6.867 572 HH2 TRP 74 HH2 TRP 74 -28.104 8.854 6.594 573 H THR 75 HN THR 75 -22.848 5.181 11.521 574 HA THR 75 HA THR 75 -23.406 8.063 11.389 575 HB THR 75 HB THR 75 -21.187 6.724 12.959 576 HG1 THR 75 HG1 THR 75 -22.450 6.906 14.635 577 HG21 THR 75 HG21 THR 75 -20.552 8.923 12.028 578 HG22 THR 75 HG22 THR 75 -20.671 8.947 13.786 579 HG23 THR 75 HG23 THR 75 -21.965 9.645 12.807 580 H LYS 76 HN LYS 76 -22.438 9.018 9.698 581 HA LYS 76 HA LYS 76 -20.526 7.553 8.080 582 HB2 LYS 76 HB2 LYS 76 -22.350 8.825 7.002 583 HB3 LYS 76 HB1 LYS 76 -21.783 10.303 7.752 584 HG2 LYS 76 HG2 LYS 76 -19.713 10.146 6.472 585 HG3 LYS 76 HG1 LYS 76 -20.343 8.698 5.670 586 HD2 LYS 76 HD2 LYS 76 -22.232 9.966 4.817 587 HD3 LYS 76 HD1 LYS 76 -21.672 11.409 5.661 588 HE2 LYS 76 HE2 LYS 76 -19.632 11.368 4.326 589 HE3 LYS 76 HE1 LYS 76 -20.238 9.966 3.442 590 HZ1 LYS 76 HZ1 LYS 76 -21.658 12.581 3.548 591 HZ2 LYS 76 HZ2 LYS 76 -22.014 11.266 2.545 592 HZ3 LYS 76 HZ3 LYS 76 -20.596 12.142 2.309 593 H LEU 77 HN LEU 77 -18.340 7.942 8.148 594 HA LEU 77 HA LEU 77 -17.444 10.269 9.728 595 HB2 LEU 77 HB2 LEU 77 -16.277 7.488 9.774 596 HB3 LEU 77 HB1 LEU 77 -15.593 8.874 10.596 597 HG LEU 77 HG LEU 77 -18.274 7.621 11.205 598 HD11 LEU 77 HD11 LEU 77 -16.362 6.233 11.858 599 HD12 LEU 77 HD12 LEU 77 -17.233 6.869 13.252 600 HD13 LEU 77 HD13 LEU 77 -15.700 7.593 12.767 601 HD21 LEU 77 HD21 LEU 77 -18.243 9.112 13.162 602 HD22 LEU 77 HD22 LEU 77 -18.292 10.005 11.643 603 HD23 LEU 77 HD23 LEU 77 -16.778 9.870 12.538 604 H THR 78 HN THR 78 -15.850 11.481 8.877 605 HA THR 78 HA THR 78 -14.523 10.421 6.476 606 HB THR 78 HB THR 78 -15.106 13.305 7.196 607 HG1 THR 78 HG1 THR 78 -16.439 11.408 5.829 608 HG21 THR 78 HG21 THR 78 -14.116 13.853 5.006 609 HG22 THR 78 HG22 THR 78 -13.674 12.160 4.781 610 HG23 THR 78 HG23 THR 78 -12.924 13.103 6.069 611 H TYR 79 HN TYR 79 -12.711 9.549 7.223 612 HA TYR 79 HA TYR 79 -11.179 10.759 9.328 613 HB2 TYR 79 HB2 TYR 79 -10.658 8.365 7.567 614 HB3 TYR 79 HB1 TYR 79 -9.559 8.902 8.832 615 HD1 TYR 79 HD2 TYR 79 -10.218 8.748 11.196 616 HD2 TYR 79 HD1 TYR 79 -12.705 7.216 8.105 617 HE1 TYR 79 HE2 TYR 79 -11.465 7.441 12.856 618 HE2 TYR 79 HE1 TYR 79 -13.960 5.901 9.760 619 HH TYR 79 HH TYR 79 -13.683 4.990 11.966 620 H ALA 80 HN ALA 80 -11.191 10.870 5.894 621 HA ALA 80 HA ALA 80 -10.125 12.187 4.385 622 HB1 ALA 80 HB1 ALA 80 -10.267 13.973 6.070 623 HB2 ALA 80 HB2 ALA 80 -8.811 14.097 5.083 624 HB3 ALA 80 HB3 ALA 80 -8.711 13.458 6.725 625 H ASN 81 HN ASN 81 -8.095 10.654 6.784 626 HA ASN 81 HA ASN 81 -5.916 10.457 4.834 627 HB2 ASN 81 HB2 ASN 81 -6.001 9.955 7.811 628 HB3 ASN 81 HB1 ASN 81 -4.606 9.589 6.805 629 HD21 ASN 81 HD21 ASN 81 -6.593 12.115 8.127 630 HD22 ASN 81 HD22 ASN 81 -5.500 13.411 7.810 631 H HIS 82 HN HIS 82 -5.136 8.551 4.120 632 HA HIS 82 HA HIS 82 -6.999 6.438 3.918 633 HB2 HIS 82 HB2 HIS 82 -5.334 6.980 2.160 634 HB3 HIS 82 HB1 HIS 82 -4.068 6.343 3.203 635 HD2 HIS 82 HD2 HIS 82 -3.658 3.641 2.944 636 HE1 HIS 82 HE1 HIS 82 -7.213 2.748 0.808 637 HE2 HIS 82 HE2 HIS 82 -5.111 1.814 1.811 638 H SER 83 HN SER 83 -4.171 6.921 5.939 639 HA SER 83 HA SER 83 -3.828 4.336 6.918 640 HB2 SER 83 HB2 SER 83 -3.484 6.923 8.453 641 HB3 SER 83 HB1 SER 83 -2.682 5.387 8.785 642 HG SER 83 HG SER 83 -1.234 6.532 7.627 643 H SER 84 HN SER 84 -5.875 6.978 8.116 644 HA SER 84 HA SER 84 -7.028 5.419 10.197 645 HB2 SER 84 HB2 SER 84 -8.664 7.434 10.198 646 HB3 SER 84 HB1 SER 84 -6.981 7.700 10.655 647 HG SER 84 HG SER 84 -8.019 8.106 8.033 648 H TYR 85 HN TYR 85 -7.829 6.119 6.886 649 HA TYR 85 HA TYR 85 -10.541 5.444 6.815 650 HB2 TYR 85 HB2 TYR 85 -9.520 6.557 4.958 651 HB3 TYR 85 HB1 TYR 85 -8.357 5.257 4.748 652 HD1 TYR 85 HD1 TYR 85 -11.933 6.152 4.349 653 HD2 TYR 85 HD2 TYR 85 -8.854 3.379 3.385 654 HE1 TYR 85 HE1 TYR 85 -13.395 5.115 2.663 655 HE2 TYR 85 HE2 TYR 85 -10.305 2.336 1.702 656 HH TYR 85 HH TYR 85 -13.171 3.782 0.611 657 H LEU 86 HN LEU 86 -7.676 3.406 6.225 658 HA LEU 86 HA LEU 86 -9.195 1.119 5.660 659 HB2 LEU 86 HB2 LEU 86 -6.938 1.554 4.794 660 HB3 LEU 86 HB1 LEU 86 -6.299 1.396 6.417 661 HG LEU 86 HG LEU 86 -6.997 -0.908 6.488 662 HD11 LEU 86 HD11 LEU 86 -8.936 -0.835 5.020 663 HD12 LEU 86 HD12 LEU 86 -7.785 -2.029 4.426 664 HD13 LEU 86 HD13 LEU 86 -7.900 -0.452 3.647 665 HD21 LEU 86 HD21 LEU 86 -5.373 -0.185 4.068 666 HD22 LEU 86 HD22 LEU 86 -5.442 -1.790 4.792 667 HD23 LEU 86 HD23 LEU 86 -4.767 -0.438 5.706 668 H ARG 87 HN ARG 87 -8.000 2.532 8.587 669 HA ARG 87 HA ARG 87 -8.169 0.136 10.158 670 HB2 ARG 87 HB2 ARG 87 -7.920 3.037 10.947 671 HB3 ARG 87 HB1 ARG 87 -7.933 1.710 12.102 672 HG2 ARG 87 HG2 ARG 87 -5.921 0.791 11.061 673 HG3 ARG 87 HG1 ARG 87 -5.919 2.125 9.905 674 HD2 ARG 87 HD2 ARG 87 -5.697 3.710 11.763 675 HD3 ARG 87 HD1 ARG 87 -5.663 2.358 12.898 676 HE ARG 87 HE ARG 87 -3.678 2.206 10.831 677 HH11 ARG 87 HH11 ARG 87 -4.408 3.406 14.042 678 HH12 ARG 87 HH12 ARG 87 -2.751 3.594 14.493 679 HH21 ARG 87 HH21 ARG 87 -1.475 2.448 11.421 680 HH22 ARG 87 HH22 ARG 87 -1.071 3.054 12.990 681 H ALA 88 HN ALA 88 -10.477 2.316 8.978 682 HA ALA 88 HA ALA 88 -12.337 2.154 11.157 683 HB1 ALA 88 HB1 ALA 88 -12.329 4.030 9.571 684 HB2 ALA 88 HB2 ALA 88 -13.900 3.231 9.660 685 HB3 ALA 88 HB3 ALA 88 -12.832 2.928 8.289 686 H LEU 89 HN LEU 89 -11.384 0.018 8.774 687 HA LEU 89 HA LEU 89 -13.859 -1.226 8.137 688 HB2 LEU 89 HB2 LEU 89 -10.989 -1.927 7.682 689 HB3 LEU 89 HB1 LEU 89 -12.240 -3.099 7.341 690 HG LEU 89 HG LEU 89 -11.571 -1.957 5.311 691 HD11 LEU 89 HD11 LEU 89 -13.891 -2.661 5.546 692 HD12 LEU 89 HD12 LEU 89 -13.722 -1.245 4.509 693 HD13 LEU 89 HD13 LEU 89 -14.309 -1.060 6.162 694 HD21 LEU 89 HD21 LEU 89 -12.492 0.590 6.631 695 HD22 LEU 89 HD22 LEU 89 -11.920 0.422 4.971 696 HD23 LEU 89 HD23 LEU 89 -10.817 0.148 6.321 697 H ARG 90 HN ARG 90 -12.236 -1.260 10.992 698 HA ARG 90 HA ARG 90 -11.901 -3.841 11.857 699 HB2 ARG 90 HB2 ARG 90 -12.989 -1.557 13.498 700 HB3 ARG 90 HB1 ARG 90 -12.298 -3.036 14.141 701 HG2 ARG 90 HG2 ARG 90 -10.834 -1.007 12.473 702 HG3 ARG 90 HG1 ARG 90 -10.746 -1.154 14.229 703 HD2 ARG 90 HD2 ARG 90 -9.997 -3.337 12.297 704 HD3 ARG 90 HD1 ARG 90 -8.855 -2.206 13.019 705 HE ARG 90 HE ARG 90 -10.200 -3.311 15.132 706 HH11 ARG 90 HH11 ARG 90 -8.278 -4.575 12.480 707 HH12 ARG 90 HH12 ARG 90 -7.672 -5.916 13.386 708 HH21 ARG 90 HH21 ARG 90 -9.394 -5.086 16.343 709 HH22 ARG 90 HH22 ARG 90 -8.306 -6.205 15.608 710 H GLU 91 HN GLU 91 -13.467 -5.207 10.990 711 HA GLU 91 HA GLU 91 -15.549 -5.764 12.851 712 HB2 GLU 91 HB2 GLU 91 -16.891 -4.315 11.503 713 HB3 GLU 91 HB1 GLU 91 -16.290 -5.018 10.011 714 HG2 GLU 91 HG2 GLU 91 -18.590 -5.726 10.515 715 HG3 GLU 91 HG1 GLU 91 -17.473 -7.084 10.455 716 H HIS 92 HN HIS 92 -14.393 -7.501 13.232 717 HA HIS 92 HA HIS 92 -14.594 -9.667 11.260 718 HB2 HIS 92 HB2 HIS 92 -12.178 -9.092 13.011 719 HB3 HIS 92 HB1 HIS 92 -12.350 -10.448 11.902 720 HD2 HIS 92 HD2 HIS 92 -12.120 -9.745 9.141 721 HE1 HIS 92 HE1 HIS 92 -10.577 -5.869 9.909 722 HE2 HIS 92 HE2 HIS 92 -11.241 -7.528 8.144 723 H GLY 93 HN GLY 93 -16.215 -8.795 13.428 724 HA2 GLY 93 HA2 GLY 93 -17.390 -10.187 14.980 725 HA3 GLY 93 HA1 GLY 93 -15.871 -11.019 15.322 726 H THR 94 HN THR 94 -16.429 -7.563 15.026 727 HA THR 94 HA THR 94 -14.964 -7.144 17.469 728 HB THR 94 HB THR 94 -16.222 -4.999 15.774 729 HG1 THR 94 HG1 THR 94 -14.560 -5.138 14.376 730 HG21 THR 94 HG21 THR 94 -14.260 -3.709 16.556 731 HG22 THR 94 HG22 THR 94 -13.745 -5.099 17.515 732 HG23 THR 94 HG23 THR 94 -15.257 -4.276 17.892 733 H ILE 95 HN ILE 95 -16.524 -8.051 18.909 734 HA ILE 95 HA ILE 95 -19.015 -6.630 19.259 735 HB ILE 95 HB ILE 95 -17.744 -9.001 20.603 736 HG12 ILE 95 HG12 ILE 95 -19.180 -8.943 18.408 737 HG13 ILE 95 HG11 ILE 95 -19.419 -10.257 19.573 738 HG21 ILE 95 HG21 ILE 95 -18.703 -7.690 22.422 739 HG22 ILE 95 HG22 ILE 95 -19.650 -9.151 22.142 740 HG23 ILE 95 HG23 ILE 95 -20.239 -7.593 21.563 741 HD11 ILE 95 HD11 ILE 95 -21.505 -9.421 18.719 742 HD12 ILE 95 HD12 ILE 95 -21.055 -7.776 19.173 743 HD13 ILE 95 HD13 ILE 95 -21.353 -8.986 20.426 744 H TYR 96 HN TYR 96 -19.089 -4.804 20.297 745 HA TYR 96 HA TYR 96 -17.269 -4.394 22.561 746 HB2 TYR 96 HB2 TYR 96 -16.636 -3.115 20.435 747 HB3 TYR 96 HB1 TYR 96 -18.127 -2.207 20.666 748 HD1 TYR 96 HD1 TYR 96 -14.784 -2.868 21.953 749 HD2 TYR 96 HD2 TYR 96 -18.327 -0.577 22.462 750 HE1 TYR 96 HE1 TYR 96 -13.583 -1.371 23.492 751 HE2 TYR 96 HE2 TYR 96 -17.138 0.927 24.000 752 HH TYR 96 HH TYR 96 -15.161 0.808 25.496 753 H CYS 97 HN CYS 97 -18.309 -3.872 24.368 754 HA CYS 97 HA CYS 97 -19.928 -3.315 25.833 755 HB2 CYS 97 HB2 CYS 97 -19.847 -1.133 24.534 756 HB3 CYS 97 HB1 CYS 97 -21.222 -1.721 23.611 757 HG CYS 97 HG CYS 97 -22.644 -2.101 26.196 758 H GLY 98 HN GLY 98 -20.282 -5.491 23.631 759 HA2 GLY 98 HA2 GLY 98 -21.863 -7.278 24.181 760 HA3 GLY 98 HA1 GLY 98 -23.094 -6.039 24.321 761 H ALA 99 HN ALA 99 -21.741 -4.825 21.746 762 HA ALA 99 HA ALA 99 -22.884 -6.779 19.867 763 HB1 ALA 99 HB1 ALA 99 -24.055 -5.098 18.669 764 HB2 ALA 99 HB2 ALA 99 -23.497 -3.853 19.791 765 HB3 ALA 99 HB3 ALA 99 -24.596 -5.122 20.349 766 H ALA 100 HN ALA 100 -22.235 -6.584 17.707 767 HA ALA 100 HA ALA 100 -19.494 -5.746 17.468 768 HB1 ALA 100 HB1 ALA 100 -19.544 -6.872 15.323 769 HB2 ALA 100 HB2 ALA 100 -21.291 -7.078 15.449 770 HB3 ALA 100 HB3 ALA 100 -20.221 -7.907 16.580 771 H ILE 101 HN ILE 101 -18.694 -4.160 16.211 772 HA ILE 101 HA ILE 101 -20.648 -2.305 15.072 773 HB ILE 101 HB ILE 101 -18.814 -0.626 15.089 774 HG12 ILE 101 HG12 ILE 101 -17.244 -2.730 16.606 775 HG13 ILE 101 HG11 ILE 101 -16.916 -2.219 14.955 776 HG21 ILE 101 HG21 ILE 101 -20.371 -0.716 16.945 777 HG22 ILE 101 HG22 ILE 101 -18.761 -0.285 17.522 778 HG23 ILE 101 HG23 ILE 101 -19.375 -1.922 17.753 779 HD11 ILE 101 HD11 ILE 101 -15.395 -1.173 16.537 780 HD12 ILE 101 HD12 ILE 101 -16.767 -0.477 17.400 781 HD13 ILE 101 HD13 ILE 101 -16.414 0.030 15.749 782 H GLY 102 HN GLY 102 -20.793 -2.078 12.928 783 HA2 GLY 102 HA2 GLY 102 -18.699 -3.403 11.333 784 HA3 GLY 102 HA1 GLY 102 -20.403 -3.420 10.907 785 H CYS 103 HN CYS 103 -17.703 -2.271 9.823 786 HA CYS 103 HA CYS 103 -18.954 0.213 8.920 787 HB2 CYS 103 HB2 CYS 103 -17.217 0.763 10.564 788 HB3 CYS 103 HB1 CYS 103 -16.041 -0.132 9.611 789 HG CYS 103 HG CYS 103 -17.723 2.446 8.180 790 H VAL 104 HN VAL 104 -18.894 0.566 6.830 791 HA VAL 104 HA VAL 104 -17.097 -0.994 5.129 792 HB VAL 104 HB VAL 104 -18.941 -1.435 3.529 793 HG11 VAL 104 HG11 VAL 104 -20.078 -3.211 4.753 794 HG12 VAL 104 HG12 VAL 104 -19.528 -2.520 6.280 795 HG13 VAL 104 HG13 VAL 104 -18.356 -3.172 5.136 796 HG21 VAL 104 HG21 VAL 104 -20.710 -0.289 5.682 797 HG22 VAL 104 HG22 VAL 104 -21.289 -1.135 4.245 798 HG23 VAL 104 HG23 VAL 104 -20.418 0.393 4.089 799 HA PRO 105 HA PRO 105 -16.623 2.800 2.834 800 HB2 PRO 105 HB2 PRO 105 -17.388 1.459 0.302 801 HB3 PRO 105 HB1 PRO 105 -15.870 2.255 0.730 802 HG2 PRO 105 HG2 PRO 105 -16.036 -0.416 0.543 803 HG3 PRO 105 HG1 PRO 105 -15.015 0.367 1.762 804 HD2 PRO 105 HD2 PRO 105 -17.700 -0.901 2.066 805 HD3 PRO 105 HD1 PRO 105 -16.297 -0.958 3.154 806 H TYR 106 HN TYR 106 -17.842 4.499 1.936 807 HA TYR 106 HA TYR 106 -20.534 4.592 2.586 808 HB2 TYR 106 HB2 TYR 106 -19.115 6.588 2.294 809 HB3 TYR 106 HB1 TYR 106 -19.076 6.302 0.560 810 HD1 TYR 106 HD1 TYR 106 -21.159 7.395 3.383 811 HD2 TYR 106 HD2 TYR 106 -20.980 6.866 -0.840 812 HE1 TYR 106 HE1 TYR 106 -23.189 8.757 3.130 813 HE2 TYR 106 HE2 TYR 106 -23.013 8.224 -1.102 814 HH TYR 106 HH TYR 106 -24.290 10.123 1.396 815 H LYS 107 HN LYS 107 -22.072 3.393 1.773 816 HA LYS 107 HA LYS 107 -22.174 2.908 -1.115 817 HB2 LYS 107 HB2 LYS 107 -23.260 1.340 1.211 818 HB3 LYS 107 HB1 LYS 107 -23.775 1.044 -0.433 819 HG2 LYS 107 HG2 LYS 107 -20.921 0.890 0.482 820 HG3 LYS 107 HG1 LYS 107 -22.026 -0.491 0.429 821 HD2 LYS 107 HD2 LYS 107 -22.385 -0.101 -1.937 822 HD3 LYS 107 HD1 LYS 107 -21.257 1.254 -1.891 823 HE2 LYS 107 HE2 LYS 107 -19.442 -0.256 -1.272 824 HE3 LYS 107 HE1 LYS 107 -20.567 -1.612 -1.234 825 HZ1 LYS 107 HZ1 LYS 107 -20.951 -1.336 -3.589 826 HZ2 LYS 107 HZ2 LYS 107 -19.299 -1.539 -3.306 827 HZ3 LYS 107 HZ3 LYS 107 -19.917 -0.001 -3.644 828 H HIS 108 HN HIS 108 -23.722 3.857 -2.221 829 HA HIS 108 HA HIS 108 -25.560 5.629 -1.035 830 HB2 HIS 108 HB2 HIS 108 -24.701 5.875 -3.348 831 HB3 HIS 108 HB1 HIS 108 -25.611 4.445 -3.822 832 HD2 HIS 108 HD2 HIS 108 -26.395 8.114 -2.591 833 HE1 HIS 108 HE1 HIS 108 -29.718 6.622 -4.759 834 HE2 HIS 108 HE2 HIS 108 -28.825 8.513 -3.379 835 H GLU 109 HN GLU 109 -25.876 2.341 -2.286 836 HA GLU 109 HA GLU 109 -28.676 2.112 -1.985 837 HB2 GLU 109 HB2 GLU 109 -27.316 0.525 -3.297 838 HB3 GLU 109 HB1 GLU 109 -26.570 -0.052 -1.814 839 HG2 GLU 109 HG2 GLU 109 -28.763 -0.824 -1.027 840 HG3 GLU 109 HG1 GLU 109 -29.483 -0.287 -2.541 841 H LEU 110 HN LEU 110 -25.974 1.499 0.169 842 HA LEU 110 HA LEU 110 -27.376 0.347 2.309 843 HB2 LEU 110 HB2 LEU 110 -24.938 0.292 2.099 844 HB3 LEU 110 HB1 LEU 110 -24.873 2.030 2.305 845 HG LEU 110 HG LEU 110 -25.811 1.724 4.607 846 HD11 LEU 110 HD11 LEU 110 -26.842 -0.446 4.346 847 HD12 LEU 110 HD12 LEU 110 -25.621 -0.506 5.619 848 HD13 LEU 110 HD13 LEU 110 -25.270 -1.184 4.031 849 HD21 LEU 110 HD21 LEU 110 -23.185 0.388 3.978 850 HD22 LEU 110 HD22 LEU 110 -23.686 0.946 5.574 851 HD23 LEU 110 HD23 LEU 110 -23.453 2.107 4.267 852 H ILE 111 HN ILE 111 -26.595 3.689 1.483 853 HA ILE 111 HA ILE 111 -27.631 4.919 3.775 854 HB ILE 111 HB ILE 111 -27.336 5.929 0.940 855 HG12 ILE 111 HG12 ILE 111 -25.239 5.343 2.069 856 HG13 ILE 111 HG11 ILE 111 -25.360 7.075 1.813 857 HG21 ILE 111 HG21 ILE 111 -27.961 7.534 3.417 858 HG22 ILE 111 HG22 ILE 111 -29.056 7.236 2.065 859 HG23 ILE 111 HG23 ILE 111 -27.595 8.192 1.822 860 HD11 ILE 111 HD11 ILE 111 -26.018 7.352 4.169 861 HD12 ILE 111 HD12 ILE 111 -24.433 6.596 3.991 862 HD13 ILE 111 HD13 ILE 111 -25.837 5.615 4.405 863 H SER 112 HN SER 112 -29.145 4.094 0.653 864 HA SER 112 HA SER 112 -31.646 5.253 1.137 865 HB2 SER 112 HB2 SER 112 -31.023 2.783 -0.494 866 HB3 SER 112 HB1 SER 112 -32.481 3.770 -0.615 867 HG SER 112 HG SER 112 -30.698 4.177 -2.163 868 H GLU 113 HN GLU 113 -30.484 1.953 1.852 869 HA GLU 113 HA GLU 113 -32.875 0.961 2.966 870 HB2 GLU 113 HB2 GLU 113 -29.983 0.250 3.418 871 HB3 GLU 113 HB1 GLU 113 -31.293 -0.627 4.195 872 HG2 GLU 113 HG2 GLU 113 -31.037 -0.305 1.216 873 HG3 GLU 113 HG1 GLU 113 -30.404 -1.683 2.122 874 H LEU 114 HN LEU 114 -30.100 2.526 4.469 875 HA LEU 114 HA LEU 114 -31.043 2.433 7.104 876 HB2 LEU 114 HB2 LEU 114 -29.131 4.288 5.732 877 HB3 LEU 114 HB1 LEU 114 -29.384 4.245 7.466 878 HG LEU 114 HG LEU 114 -28.403 1.910 5.828 879 HD11 LEU 114 HD11 LEU 114 -26.907 3.810 7.592 880 HD12 LEU 114 HD12 LEU 114 -26.779 3.684 5.836 881 HD13 LEU 114 HD13 LEU 114 -26.248 2.349 6.864 882 HD21 LEU 114 HD21 LEU 114 -29.573 1.207 7.839 883 HD22 LEU 114 HD22 LEU 114 -28.605 2.313 8.815 884 HD23 LEU 114 HD23 LEU 114 -27.841 0.939 8.015 885 H SER 115 HN SER 115 -31.370 4.827 4.542 886 HA SER 115 HA SER 115 -32.608 6.873 6.002 887 HB2 SER 115 HB2 SER 115 -31.607 7.245 3.804 888 HB3 SER 115 HB1 SER 115 -32.823 6.212 3.058 889 HG SER 115 HG SER 115 -33.299 8.658 4.429 890 H ARG 116 HN ARG 116 -34.031 4.132 4.209 891 HA ARG 116 HA ARG 116 -36.668 5.109 4.550 892 HB2 ARG 116 HB2 ARG 116 -37.470 3.007 3.670 893 HB3 ARG 116 HB1 ARG 116 -36.127 3.599 2.707 894 HG2 ARG 116 HG2 ARG 116 -34.641 1.996 3.772 895 HG3 ARG 116 HG1 ARG 116 -35.969 1.426 4.787 896 HD2 ARG 116 HD2 ARG 116 -37.201 0.770 2.758 897 HD3 ARG 116 HD1 ARG 116 -35.841 1.305 1.777 898 HE ARG 116 HE ARG 116 -34.653 -0.562 2.392 899 HH11 ARG 116 HH11 ARG 116 -37.640 -0.369 4.248 900 HH12 ARG 116 HH12 ARG 116 -37.524 -1.990 4.835 901 HH21 ARG 116 HH21 ARG 116 -34.489 -2.689 3.180 902 HH22 ARG 116 HH22 ARG 116 -35.723 -3.332 4.217 903 H GLU 117 HN GLU 117 -34.575 3.673 6.738 904 HA GLU 117 HA GLU 117 -36.517 2.400 8.364 905 HB2 GLU 117 HB2 GLU 117 -33.676 3.065 8.610 906 HB3 GLU 117 HB1 GLU 117 -34.556 3.041 10.137 907 HG2 GLU 117 HG2 GLU 117 -34.542 0.803 8.131 908 HG3 GLU 117 HG1 GLU 117 -33.498 0.881 9.553 909 H GLY 118 HN GLY 118 -35.977 5.541 7.654 910 HA2 GLY 118 HA2 GLY 118 -36.869 6.746 10.087 911 HA3 GLY 118 HA1 GLY 118 -36.851 7.511 8.498 912 H HIS 119 HN HIS 119 -38.339 5.250 7.326 913 HA HIS 119 HA HIS 119 -40.433 4.750 6.705 914 HB2 HIS 119 HB2 HIS 119 -40.900 4.917 9.685 915 HB3 HIS 119 HB1 HIS 119 -42.081 4.287 8.542 916 HD2 HIS 119 HD2 HIS 119 -38.910 3.151 10.416 917 HE1 HIS 119 HE1 HIS 119 -40.000 0.013 7.777 918 HE2 HIS 119 HE2 HIS 119 -38.298 0.830 9.445 919 H HIS 120 HN HIS 120 -39.675 7.521 6.714 920 HA HIS 120 HA HIS 120 -42.221 8.878 7.217 921 HB2 HIS 120 HB2 HIS 120 -40.937 10.967 6.863 922 HB3 HIS 120 HB1 HIS 120 -40.265 9.975 8.149 923 HD2 HIS 120 HD2 HIS 120 -39.221 11.471 4.740 924 HE1 HIS 120 HE1 HIS 120 -35.989 9.126 6.166 925 HE2 HIS 120 HE2 HIS 120 -36.686 10.966 4.603 926 H HIS 121 HN HIS 121 -40.528 7.399 4.755 927 HA HIS 121 HA HIS 121 -40.888 7.109 2.537 928 HB2 HIS 121 HB2 HIS 121 -43.333 7.329 3.122 929 HB3 HIS 121 HB1 HIS 121 -43.209 9.045 2.763 930 HD2 HIS 121 HD2 HIS 121 -43.073 9.678 0.019 931 HE1 HIS 121 HE1 HIS 121 -43.764 5.721 -1.337 932 HE2 HIS 121 HE2 HIS 121 -43.313 8.095 -2.013 933 H HIS 122 HN HIS 122 -39.962 7.985 0.719 934 HA HIS 122 HA HIS 122 -38.630 10.520 1.124 935 HB2 HIS 122 HB2 HIS 122 -38.440 8.498 -1.105 936 HB3 HIS 122 HB1 HIS 122 -37.506 9.989 -1.062 937 HD2 HIS 122 HD2 HIS 122 -35.566 10.094 1.068 938 HE1 HIS 122 HE1 HIS 122 -35.638 5.908 1.735 939 HE2 HIS 122 HE2 HIS 122 -34.540 8.092 2.341 940 H HIS 123 HN HIS 123 -40.445 9.257 -1.680 941 HA HIS 123 HA HIS 123 -41.699 10.240 -3.273 942 HB2 HIS 123 HB2 HIS 123 -43.188 10.935 -1.461 943 HB3 HIS 123 HB1 HIS 123 -42.206 12.368 -1.169 944 HD2 HIS 123 HD2 HIS 123 -44.495 10.981 -4.092 945 HE1 HIS 123 HE1 HIS 123 -44.512 15.221 -4.175 946 HE2 HIS 123 HE2 HIS 123 -45.460 13.116 -5.180 947 H HIS 124 HN HIS 124 -40.615 13.294 -1.863 948 HA HIS 124 HA HIS 124 -38.600 13.720 -3.843 949 HB2 HIS 124 HB2 HIS 124 -40.600 14.190 -5.209 950 HB3 HIS 124 HB1 HIS 124 -41.147 15.357 -4.013 951 HD2 HIS 124 HD2 HIS 124 -38.086 15.016 -6.499 952 HE1 HIS 124 HE1 HIS 124 -38.873 19.118 -5.784 953 HE2 HIS 124 HE2 HIS 124 -37.619 17.463 -7.196 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -31.226 12.655 -13.519 2 H2 MET 1 HT2 MET 1 -31.838 11.088 -13.575 3 H3 MET 1 HT3 MET 1 -31.391 11.868 -15.003 4 HA MET 1 HA MET 1 -29.558 11.105 -12.810 5 HB2 MET 1 HB2 MET 1 -28.718 9.377 -14.250 6 HB3 MET 1 HB1 MET 1 -30.460 9.183 -14.149 7 HG2 MET 1 HG2 MET 1 -30.740 10.193 -16.324 8 HG3 MET 1 HG1 MET 1 -29.012 10.534 -16.416 9 HE1 MET 1 HE1 MET 1 -28.793 9.337 -18.783 10 HE2 MET 1 HE2 MET 1 -30.542 9.111 -18.729 11 HE3 MET 1 HE3 MET 1 -29.490 7.751 -19.123 12 H SER 2 HN SER 2 -27.287 11.248 -13.460 13 HA SER 2 HA SER 2 -25.452 12.295 -14.271 14 HB2 SER 2 HB2 SER 2 -27.059 13.158 -16.668 15 HB3 SER 2 HB1 SER 2 -25.333 12.811 -16.574 16 HG SER 2 HG SER 2 -25.921 10.892 -17.235 17 H LEU 3 HN LEU 3 -27.760 13.821 -12.881 18 HA LEU 3 HA LEU 3 -27.474 16.512 -13.755 19 HB2 LEU 3 HB2 LEU 3 -28.532 15.384 -11.166 20 HB3 LEU 3 HB1 LEU 3 -28.584 17.082 -11.592 21 HG LEU 3 HG LEU 3 -29.987 14.856 -13.068 22 HD11 LEU 3 HD11 LEU 3 -31.076 17.060 -11.331 23 HD12 LEU 3 HD12 LEU 3 -31.002 15.346 -10.915 24 HD13 LEU 3 HD13 LEU 3 -32.030 15.887 -12.240 25 HD21 LEU 3 HD21 LEU 3 -31.046 16.657 -14.353 26 HD22 LEU 3 HD22 LEU 3 -29.305 16.619 -14.598 27 HD23 LEU 3 HD23 LEU 3 -30.018 17.836 -13.541 28 H GLY 4 HN GLY 4 -25.900 14.541 -11.313 29 HA2 GLY 4 HA2 GLY 4 -23.832 16.605 -11.119 30 HA3 GLY 4 HA1 GLY 4 -24.584 16.038 -9.635 31 H SER 5 HN SER 5 -22.571 15.298 -8.892 32 HA SER 5 HA SER 5 -21.152 13.260 -10.372 33 HB2 SER 5 HB2 SER 5 -20.653 14.181 -7.538 34 HB3 SER 5 HB1 SER 5 -19.520 13.386 -8.627 35 HG SER 5 HG SER 5 -20.449 15.578 -9.824 36 H GLU 6 HN GLU 6 -20.710 11.136 -9.465 37 HA GLU 6 HA GLU 6 -23.032 9.843 -8.539 38 HB2 GLU 6 HB2 GLU 6 -21.362 8.693 -9.915 39 HB3 GLU 6 HB1 GLU 6 -20.187 8.835 -8.617 40 HG2 GLU 6 HG2 GLU 6 -21.485 7.370 -7.223 41 HG3 GLU 6 HG1 GLU 6 -22.765 7.296 -8.433 42 H SER 7 HN SER 7 -20.343 11.169 -6.986 43 HA SER 7 HA SER 7 -19.893 11.746 -4.847 44 HB2 SER 7 HB2 SER 7 -22.765 10.953 -4.365 45 HB3 SER 7 HB1 SER 7 -21.752 11.831 -3.214 46 HG SER 7 HG SER 7 -22.793 12.677 -5.699 47 H GLU 8 HN GLU 8 -19.505 8.922 -5.787 48 HA GLU 8 HA GLU 8 -19.663 7.471 -3.322 49 HB2 GLU 8 HB2 GLU 8 -20.125 6.293 -5.440 50 HB3 GLU 8 HB1 GLU 8 -18.501 6.692 -5.999 51 HG2 GLU 8 HG2 GLU 8 -17.576 5.467 -4.120 52 HG3 GLU 8 HG1 GLU 8 -19.204 5.004 -3.631 53 H THR 9 HN THR 9 -18.348 8.728 -2.119 54 HA THR 9 HA THR 9 -15.801 9.634 -2.799 55 HB THR 9 HB THR 9 -15.454 9.708 -0.251 56 HG1 THR 9 HG1 THR 9 -17.996 9.599 0.422 57 HG21 THR 9 HG21 THR 9 -17.843 11.095 -1.491 58 HG22 THR 9 HG22 THR 9 -16.171 11.647 -1.571 59 HG23 THR 9 HG23 THR 9 -17.010 11.601 -0.022 60 H GLY 10 HN GLY 10 -16.735 6.697 -1.039 61 HA2 GLY 10 HA2 GLY 10 -15.661 4.638 -0.973 62 HA3 GLY 10 HA1 GLY 10 -14.469 5.275 -2.094 63 H ASN 11 HN ASN 11 -13.800 7.538 -0.362 64 HA ASN 11 HA ASN 11 -11.920 6.157 1.373 65 HB2 ASN 11 HB2 ASN 11 -12.197 9.047 0.534 66 HB3 ASN 11 HB1 ASN 11 -11.017 8.512 1.724 67 HD21 ASN 11 HD21 ASN 11 -9.337 9.219 0.400 68 HD22 ASN 11 HD22 ASN 11 -8.840 8.341 -0.999 69 H ALA 12 HN ALA 12 -14.942 6.807 1.798 70 HA ALA 12 HA ALA 12 -14.614 7.529 4.621 71 HB1 ALA 12 HB1 ALA 12 -16.750 8.721 4.536 72 HB2 ALA 12 HB2 ALA 12 -16.873 8.395 2.807 73 HB3 ALA 12 HB3 ALA 12 -15.588 9.437 3.419 74 H VAL 13 HN VAL 13 -15.839 6.329 6.032 75 HA VAL 13 HA VAL 13 -17.345 4.113 4.811 76 HB VAL 13 HB VAL 13 -16.748 2.743 6.797 77 HG11 VAL 13 HG11 VAL 13 -14.390 3.791 5.246 78 HG12 VAL 13 HG12 VAL 13 -15.478 2.492 4.746 79 HG13 VAL 13 HG13 VAL 13 -14.438 2.280 6.153 80 HG21 VAL 13 HG21 VAL 13 -14.887 3.459 8.241 81 HG22 VAL 13 HG22 VAL 13 -16.290 4.517 8.392 82 HG23 VAL 13 HG23 VAL 13 -14.894 5.037 7.451 83 H VAL 14 HN VAL 14 -19.090 3.288 6.016 84 HA VAL 14 HA VAL 14 -20.296 5.292 7.791 85 HB VAL 14 HB VAL 14 -21.645 3.032 6.282 86 HG11 VAL 14 HG11 VAL 14 -22.831 5.313 7.861 87 HG12 VAL 14 HG12 VAL 14 -22.806 3.618 8.346 88 HG13 VAL 14 HG13 VAL 14 -23.740 4.118 6.935 89 HG21 VAL 14 HG21 VAL 14 -21.615 5.998 5.704 90 HG22 VAL 14 HG22 VAL 14 -22.585 4.796 4.851 91 HG23 VAL 14 HG23 VAL 14 -20.824 4.742 4.750 92 H VAL 15 HN VAL 15 -20.271 4.820 9.872 93 HA VAL 15 HA VAL 15 -19.804 2.041 10.677 94 HB VAL 15 HB VAL 15 -19.558 4.592 12.300 95 HG11 VAL 15 HG11 VAL 15 -18.728 1.768 12.976 96 HG12 VAL 15 HG12 VAL 15 -20.081 2.650 13.688 97 HG13 VAL 15 HG13 VAL 15 -18.428 3.199 13.962 98 HG21 VAL 15 HG21 VAL 15 -17.146 4.267 12.125 99 HG22 VAL 15 HG22 VAL 15 -17.874 4.451 10.526 100 HG23 VAL 15 HG23 VAL 15 -17.401 2.855 11.101 101 H PHE 16 HN PHE 16 -21.452 0.909 11.412 102 HA PHE 16 HA PHE 16 -23.601 2.262 12.853 103 HB2 PHE 16 HB2 PHE 16 -25.342 1.110 11.546 104 HB3 PHE 16 HB1 PHE 16 -24.395 2.201 10.548 105 HD1 PHE 16 HD1 PHE 16 -25.203 -1.301 11.250 106 HD2 PHE 16 HD2 PHE 16 -22.942 1.352 8.808 107 HE1 PHE 16 HE1 PHE 16 -24.775 -3.130 9.665 108 HE2 PHE 16 HE2 PHE 16 -22.510 -0.471 7.220 109 HZ PHE 16 HZ PHE 16 -23.428 -2.719 7.645 110 H GLY 17 HN GLY 17 -25.088 0.692 13.894 111 HA2 GLY 17 HA2 GLY 17 -25.332 -1.727 14.476 112 HA3 GLY 17 HA1 GLY 17 -23.587 -1.732 14.682 113 H TYR 18 HN TYR 18 -24.007 1.100 15.817 114 HA TYR 18 HA TYR 18 -24.403 0.167 18.550 115 HB2 TYR 18 HB2 TYR 18 -23.353 2.312 19.205 116 HB3 TYR 18 HB1 TYR 18 -22.325 1.357 18.147 117 HD1 TYR 18 HD1 TYR 18 -24.343 4.403 18.441 118 HD2 TYR 18 HD2 TYR 18 -21.814 2.122 15.891 119 HE1 TYR 18 HE1 TYR 18 -24.112 6.338 16.947 120 HE2 TYR 18 HE2 TYR 18 -21.578 4.058 14.390 121 HH TYR 18 HH TYR 18 -22.616 7.191 15.285 122 H ARG 19 HN ARG 19 -25.419 1.917 20.040 123 HA ARG 19 HA ARG 19 -28.008 2.515 18.873 124 HB2 ARG 19 HB2 ARG 19 -28.096 1.395 20.980 125 HB3 ARG 19 HB1 ARG 19 -27.029 2.574 21.719 126 HG2 ARG 19 HG2 ARG 19 -29.248 3.041 22.482 127 HG3 ARG 19 HG1 ARG 19 -28.788 4.303 21.351 128 HD2 ARG 19 HD2 ARG 19 -31.069 3.598 20.920 129 HD3 ARG 19 HD1 ARG 19 -30.027 3.182 19.561 130 HE ARG 19 HE ARG 19 -30.376 1.075 21.494 131 HH11 ARG 19 HH11 ARG 19 -31.659 2.523 18.558 132 HH12 ARG 19 HH12 ARG 19 -32.448 1.078 18.048 133 HH21 ARG 19 HH21 ARG 19 -31.423 -0.825 20.815 134 HH22 ARG 19 HH22 ARG 19 -32.318 -0.834 19.335 135 H GLU 20 HN GLU 20 -26.334 4.415 21.352 136 HA GLU 20 HA GLU 20 -25.869 6.733 19.825 137 HB2 GLU 20 HB2 GLU 20 -28.366 6.659 19.646 138 HB3 GLU 20 HB1 GLU 20 -28.463 6.779 21.393 139 HG2 GLU 20 HG2 GLU 20 -27.355 8.990 21.268 140 HG3 GLU 20 HG1 GLU 20 -27.359 8.847 19.510 141 H ALA 21 HN ALA 21 -26.937 5.471 22.967 142 HA ALA 21 HA ALA 21 -25.515 7.579 24.353 143 HB1 ALA 21 HB1 ALA 21 -27.193 5.356 25.483 144 HB2 ALA 21 HB2 ALA 21 -27.777 6.962 25.061 145 HB3 ALA 21 HB3 ALA 21 -26.595 6.766 26.357 146 H ILE 22 HN ILE 22 -24.106 5.385 22.901 147 HA ILE 22 HA ILE 22 -22.631 4.195 25.158 148 HB ILE 22 HB ILE 22 -21.755 2.527 23.514 149 HG12 ILE 22 HG12 ILE 22 -23.330 2.324 21.405 150 HG13 ILE 22 HG11 ILE 22 -23.553 4.049 21.653 151 HG21 ILE 22 HG21 ILE 22 -23.797 1.192 23.388 152 HG22 ILE 22 HG22 ILE 22 -24.749 2.623 23.782 153 HG23 ILE 22 HG23 ILE 22 -23.614 1.971 24.959 154 HD11 ILE 22 HD11 ILE 22 -21.136 4.386 21.445 155 HD12 ILE 22 HD12 ILE 22 -21.814 3.620 20.010 156 HD13 ILE 22 HD13 ILE 22 -20.924 2.655 21.192 157 H THR 23 HN THR 23 -22.409 6.838 23.477 158 HA THR 23 HA THR 23 -20.086 6.799 21.965 159 HB THR 23 HB THR 23 -21.019 9.176 23.562 160 HG1 THR 23 HG1 THR 23 -22.249 9.491 21.489 161 HG21 THR 23 HG21 THR 23 -18.914 9.481 22.375 162 HG22 THR 23 HG22 THR 23 -20.191 10.400 21.575 163 HG23 THR 23 HG23 THR 23 -19.639 8.875 20.886 164 H LYS 24 HN LYS 24 -20.487 7.622 25.418 165 HA LYS 24 HA LYS 24 -18.024 8.576 26.033 166 HB2 LYS 24 HB2 LYS 24 -19.559 6.646 27.760 167 HB3 LYS 24 HB1 LYS 24 -18.460 7.907 28.291 168 HG2 LYS 24 HG2 LYS 24 -21.161 8.296 27.008 169 HG3 LYS 24 HG1 LYS 24 -20.743 8.569 28.698 170 HD2 LYS 24 HD2 LYS 24 -19.101 10.295 27.867 171 HD3 LYS 24 HD1 LYS 24 -19.830 10.132 26.278 172 HE2 LYS 24 HE2 LYS 24 -21.986 10.758 27.121 173 HE3 LYS 24 HE1 LYS 24 -21.366 10.834 28.768 174 HZ1 LYS 24 HZ1 LYS 24 -21.589 13.010 27.640 175 HZ2 LYS 24 HZ2 LYS 24 -20.366 12.539 26.563 176 HZ3 LYS 24 HZ3 LYS 24 -20.033 12.684 28.210 177 H GLN 25 HN GLN 25 -18.934 5.195 25.594 178 HA GLN 25 HA GLN 25 -16.396 4.215 26.526 179 HB2 GLN 25 HB2 GLN 25 -18.768 2.848 25.269 180 HB3 GLN 25 HB1 GLN 25 -17.281 1.994 25.647 181 HG2 GLN 25 HG2 GLN 25 -18.691 1.580 27.460 182 HG3 GLN 25 HG1 GLN 25 -17.576 2.819 28.018 183 HE21 GLN 25 HE21 GLN 25 -20.308 3.390 25.896 184 HE22 GLN 25 HE22 GLN 25 -21.220 4.331 27.029 185 H ILE 26 HN ILE 26 -18.027 4.031 23.332 186 HA ILE 26 HA ILE 26 -15.784 2.943 22.047 187 HB ILE 26 HB ILE 26 -18.184 2.725 21.309 188 HG12 ILE 26 HG12 ILE 26 -16.276 3.687 19.182 189 HG13 ILE 26 HG11 ILE 26 -16.211 2.111 19.969 190 HG21 ILE 26 HG21 ILE 26 -19.075 4.447 19.800 191 HG22 ILE 26 HG22 ILE 26 -17.695 5.477 20.181 192 HG23 ILE 26 HG23 ILE 26 -18.855 5.056 21.443 193 HD11 ILE 26 HD11 ILE 26 -18.408 1.563 19.075 194 HD12 ILE 26 HD12 ILE 26 -17.291 1.991 17.779 195 HD13 ILE 26 HD13 ILE 26 -18.505 3.153 18.317 196 H LEU 27 HN LEU 27 -16.747 6.248 22.608 197 HA LEU 27 HA LEU 27 -15.388 7.512 20.520 198 HB2 LEU 27 HB2 LEU 27 -17.044 8.618 21.919 199 HB3 LEU 27 HB1 LEU 27 -15.969 8.516 23.296 200 HG LEU 27 HG LEU 27 -14.365 9.983 22.062 201 HD11 LEU 27 HD11 LEU 27 -15.231 11.286 20.182 202 HD12 LEU 27 HD12 LEU 27 -16.699 10.304 20.183 203 HD13 LEU 27 HD13 LEU 27 -15.144 9.568 19.800 204 HD21 LEU 27 HD21 LEU 27 -17.123 10.969 22.734 205 HD22 LEU 27 HD22 LEU 27 -15.775 12.035 22.362 206 HD23 LEU 27 HD23 LEU 27 -15.687 10.962 23.763 207 H ALA 28 HN ALA 28 -14.265 6.644 23.769 208 HA ALA 28 HA ALA 28 -11.844 8.013 23.752 209 HB1 ALA 28 HB1 ALA 28 -12.805 7.018 25.752 210 HB2 ALA 28 HB2 ALA 28 -11.141 6.481 25.513 211 HB3 ALA 28 HB3 ALA 28 -12.484 5.405 25.116 212 H TYR 29 HN TYR 29 -12.720 5.159 22.023 213 HA TYR 29 HA TYR 29 -9.973 4.309 21.648 214 HB2 TYR 29 HB2 TYR 29 -11.807 2.654 21.898 215 HB3 TYR 29 HB1 TYR 29 -12.495 3.226 20.383 216 HD1 TYR 29 HD1 TYR 29 -9.706 1.396 21.912 217 HD2 TYR 29 HD2 TYR 29 -11.524 2.603 18.260 218 HE1 TYR 29 HE1 TYR 29 -8.298 -0.201 20.688 219 HE2 TYR 29 HE2 TYR 29 -10.122 1.022 17.027 220 HH TYR 29 HH TYR 29 -7.764 -0.116 17.487 221 H PHE 30 HN PHE 30 -12.594 5.634 19.618 222 HA PHE 30 HA PHE 30 -10.760 5.744 17.352 223 HB2 PHE 30 HB2 PHE 30 -13.713 6.304 17.528 224 HB3 PHE 30 HB1 PHE 30 -12.755 6.451 16.060 225 HD1 PHE 30 HD2 PHE 30 -11.939 4.499 14.895 226 HD2 PHE 30 HD1 PHE 30 -14.261 4.132 18.444 227 HE1 PHE 30 HE2 PHE 30 -12.331 2.120 14.392 228 HE2 PHE 30 HE1 PHE 30 -14.655 1.755 17.944 229 HZ PHE 30 HZ PHE 30 -13.688 0.748 15.919 230 H ALA 31 HN ALA 31 -11.661 7.819 19.825 231 HA ALA 31 HA ALA 31 -11.839 10.279 18.463 232 HB1 ALA 31 HB1 ALA 31 -12.579 10.007 20.773 233 HB2 ALA 31 HB2 ALA 31 -11.431 11.339 20.615 234 HB3 ALA 31 HB3 ALA 31 -10.904 9.793 21.287 235 H GLN 32 HN GLN 32 -9.210 8.241 18.999 236 HA GLN 32 HA GLN 32 -7.102 10.131 19.027 237 HB2 GLN 32 HB2 GLN 32 -6.871 7.771 19.676 238 HB3 GLN 32 HB1 GLN 32 -7.090 7.307 17.993 239 HG2 GLN 32 HG2 GLN 32 -5.077 8.396 17.356 240 HG3 GLN 32 HG1 GLN 32 -4.901 9.120 18.954 241 HE21 GLN 32 HE21 GLN 32 -4.320 7.845 20.671 242 HE22 GLN 32 HE22 GLN 32 -3.593 6.306 20.449 243 H PHE 33 HN PHE 33 -9.199 8.877 16.569 244 HA PHE 33 HA PHE 33 -7.471 9.965 14.455 245 HB2 PHE 33 HB2 PHE 33 -9.664 7.899 14.217 246 HB3 PHE 33 HB1 PHE 33 -8.627 8.461 12.912 247 HD1 PHE 33 HD2 PHE 33 -6.206 7.912 12.940 248 HD2 PHE 33 HD1 PHE 33 -8.933 6.257 15.753 249 HE1 PHE 33 HE2 PHE 33 -4.568 6.163 13.498 250 HE2 PHE 33 HE1 PHE 33 -7.303 4.509 16.319 251 HZ PHE 33 HZ PHE 33 -5.114 4.456 15.188 252 H GLY 34 HN GLY 34 -10.894 9.829 15.534 253 HA2 GLY 34 HA2 GLY 34 -11.336 12.433 14.329 254 HA3 GLY 34 HA1 GLY 34 -12.188 11.122 13.536 255 H GLU 35 HN GLU 35 -14.101 12.353 14.107 256 HA GLU 35 HA GLU 35 -14.893 12.097 16.937 257 HB2 GLU 35 HB2 GLU 35 -16.742 13.764 15.627 258 HB3 GLU 35 HB1 GLU 35 -15.523 14.239 16.795 259 HG2 GLU 35 HG2 GLU 35 -15.346 15.648 14.860 260 HG3 GLU 35 HG1 GLU 35 -13.931 14.607 14.925 261 H ILE 36 HN ILE 36 -16.706 10.970 17.486 262 HA ILE 36 HA ILE 36 -18.462 10.015 15.327 263 HB ILE 36 HB ILE 36 -17.556 8.249 17.643 264 HG12 ILE 36 HG12 ILE 36 -16.823 8.048 14.713 265 HG13 ILE 36 HG11 ILE 36 -15.751 8.698 15.951 266 HG21 ILE 36 HG21 ILE 36 -19.849 7.877 16.683 267 HG22 ILE 36 HG22 ILE 36 -18.759 6.500 16.546 268 HG23 ILE 36 HG23 ILE 36 -19.072 7.519 15.141 269 HD11 ILE 36 HD11 ILE 36 -15.778 6.531 17.083 270 HD12 ILE 36 HD12 ILE 36 -15.186 6.409 15.428 271 HD13 ILE 36 HD13 ILE 36 -16.827 5.891 15.817 272 H LEU 37 HN LEU 37 -20.585 10.239 15.783 273 HA LEU 37 HA LEU 37 -22.540 10.692 16.838 274 HB2 LEU 37 HB2 LEU 37 -21.063 9.924 19.355 275 HB3 LEU 37 HB1 LEU 37 -22.776 10.277 19.291 276 HG LEU 37 HG LEU 37 -22.335 8.283 17.352 277 HD11 LEU 37 HD11 LEU 37 -21.221 6.531 18.502 278 HD12 LEU 37 HD12 LEU 37 -21.093 7.499 19.966 279 HD13 LEU 37 HD13 LEU 37 -20.158 7.942 18.539 280 HD21 LEU 37 HD21 LEU 37 -24.355 8.546 18.674 281 HD22 LEU 37 HD22 LEU 37 -23.466 8.136 20.141 282 HD23 LEU 37 HD23 LEU 37 -23.697 6.921 18.885 283 H GLU 38 HN GLU 38 -23.390 12.124 18.909 284 HA GLU 38 HA GLU 38 -21.933 14.641 18.564 285 HB2 GLU 38 HB2 GLU 38 -24.812 14.125 19.230 286 HB3 GLU 38 HB1 GLU 38 -24.072 15.717 19.353 287 HG2 GLU 38 HG2 GLU 38 -23.428 15.444 16.922 288 HG3 GLU 38 HG1 GLU 38 -24.510 14.054 16.898 289 H ASP 39 HN ASP 39 -23.404 12.661 21.102 290 HA ASP 39 HA ASP 39 -22.624 14.529 23.146 291 HB2 ASP 39 HB2 ASP 39 -24.627 13.110 23.419 292 HB3 ASP 39 HB1 ASP 39 -23.600 11.679 23.434 293 H LEU 40 HN LEU 40 -20.505 14.804 23.254 294 HA LEU 40 HA LEU 40 -18.743 12.481 23.191 295 HB2 LEU 40 HB2 LEU 40 -18.065 15.410 22.859 296 HB3 LEU 40 HB1 LEU 40 -16.960 14.062 22.643 297 HG LEU 40 HG LEU 40 -19.367 14.686 20.933 298 HD11 LEU 40 HD11 LEU 40 -16.422 14.949 20.370 299 HD12 LEU 40 HD12 LEU 40 -17.569 16.269 20.596 300 HD13 LEU 40 HD13 LEU 40 -17.721 15.198 19.201 301 HD21 LEU 40 HD21 LEU 40 -17.276 12.533 20.642 302 HD22 LEU 40 HD22 LEU 40 -18.541 12.908 19.472 303 HD23 LEU 40 HD23 LEU 40 -18.970 12.289 21.066 304 H GLU 41 HN GLU 41 -17.439 15.367 24.501 305 HA GLU 41 HA GLU 41 -16.669 16.008 26.497 306 HB2 GLU 41 HB2 GLU 41 -19.041 14.429 27.431 307 HB3 GLU 41 HB1 GLU 41 -17.947 15.198 28.573 308 HG2 GLU 41 HG2 GLU 41 -19.371 16.654 26.362 309 HG3 GLU 41 HG1 GLU 41 -19.967 16.537 28.017 310 H SER 42 HN SER 42 -15.255 15.483 28.131 311 HA SER 42 HA SER 42 -13.385 14.396 28.832 312 HB2 SER 42 HB2 SER 42 -13.877 12.183 29.958 313 HB3 SER 42 HB1 SER 42 -14.893 13.527 30.474 314 HG SER 42 HG SER 42 -15.900 12.123 28.334 315 H GLU 43 HN GLU 43 -13.238 14.408 26.223 316 HA GLU 43 HA GLU 43 -13.160 11.799 25.045 317 HB2 GLU 43 HB2 GLU 43 -12.125 14.421 23.972 318 HB3 GLU 43 HB1 GLU 43 -12.373 12.944 23.050 319 HG2 GLU 43 HG2 GLU 43 -14.783 13.084 23.575 320 HG3 GLU 43 HG1 GLU 43 -14.483 14.626 24.369 321 H LEU 44 HN LEU 44 -10.549 14.173 24.801 322 HA LEU 44 HA LEU 44 -8.670 12.096 25.653 323 HB2 LEU 44 HB2 LEU 44 -8.283 14.186 23.512 324 HB3 LEU 44 HB1 LEU 44 -7.119 12.982 24.003 325 HG LEU 44 HG LEU 44 -9.747 12.430 22.623 326 HD11 LEU 44 HD11 LEU 44 -6.914 12.317 21.616 327 HD12 LEU 44 HD12 LEU 44 -8.157 13.477 21.145 328 HD13 LEU 44 HD13 LEU 44 -8.339 11.774 20.729 329 HD21 LEU 44 HD21 LEU 44 -7.526 10.551 23.426 330 HD22 LEU 44 HD22 LEU 44 -8.897 10.131 22.399 331 HD23 LEU 44 HD23 LEU 44 -9.165 10.584 24.083 332 H GLY 45 HN GLY 45 -6.413 13.378 25.930 333 HA2 GLY 45 HA2 GLY 45 -6.988 15.499 27.858 334 HA3 GLY 45 HA1 GLY 45 -5.450 14.663 27.657 335 H ASP 46 HN ASP 46 -4.065 15.270 25.993 336 HA ASP 46 HA ASP 46 -4.674 17.844 24.686 337 HB2 ASP 46 HB2 ASP 46 -2.347 18.509 24.957 338 HB3 ASP 46 HB1 ASP 46 -3.023 18.102 26.532 339 H THR 47 HN THR 47 -4.588 14.800 24.015 340 HA THR 47 HA THR 47 -2.679 14.807 21.819 341 HB THR 47 HB THR 47 -3.410 12.389 21.638 342 HG1 THR 47 HG1 THR 47 -4.380 11.719 23.754 343 HG21 THR 47 HG21 THR 47 -2.275 13.440 24.203 344 HG22 THR 47 HG22 THR 47 -1.374 13.142 22.718 345 HG23 THR 47 HG23 THR 47 -2.081 11.785 23.612 346 H GLU 48 HN GLU 48 -5.509 16.035 22.120 347 HA GLU 48 HA GLU 48 -7.169 14.958 20.165 348 HB2 GLU 48 HB2 GLU 48 -8.023 16.496 21.730 349 HB3 GLU 48 HB1 GLU 48 -6.816 17.698 21.283 350 HG2 GLU 48 HG2 GLU 48 -7.891 17.990 19.121 351 HG3 GLU 48 HG1 GLU 48 -9.019 16.694 19.491 352 H THR 49 HN THR 49 -4.291 16.845 19.868 353 HA THR 49 HA THR 49 -4.718 17.972 17.333 354 HB THR 49 HB THR 49 -2.173 17.999 17.247 355 HG1 THR 49 HG1 THR 49 -1.076 17.091 18.872 356 HG21 THR 49 HG21 THR 49 -1.985 19.657 19.060 357 HG22 THR 49 HG22 THR 49 -3.534 19.117 19.709 358 HG23 THR 49 HG23 THR 49 -3.461 19.888 18.125 359 H MET 50 HN MET 50 -3.908 14.777 18.376 360 HA MET 50 HA MET 50 -2.803 13.766 15.982 361 HB2 MET 50 HB2 MET 50 -2.564 12.619 18.139 362 HB3 MET 50 HB1 MET 50 -4.294 12.316 18.177 363 HG2 MET 50 HG2 MET 50 -3.131 10.321 17.520 364 HG3 MET 50 HG1 MET 50 -4.079 10.925 16.164 365 HE1 MET 50 HE1 MET 50 -1.679 8.749 15.989 366 HE2 MET 50 HE2 MET 50 -0.919 9.280 14.488 367 HE3 MET 50 HE3 MET 50 -2.675 9.251 14.623 368 H ARG 51 HN ARG 51 -6.128 14.119 17.126 369 HA ARG 51 HA ARG 51 -7.163 12.658 14.830 370 HB2 ARG 51 HB2 ARG 51 -9.347 12.884 15.796 371 HB3 ARG 51 HB1 ARG 51 -8.241 12.409 17.072 372 HG2 ARG 51 HG2 ARG 51 -8.212 14.622 17.971 373 HG3 ARG 51 HG1 ARG 51 -9.139 15.248 16.601 374 HD2 ARG 51 HD2 ARG 51 -11.020 13.796 17.268 375 HD3 ARG 51 HD1 ARG 51 -10.079 13.246 18.653 376 HE ARG 51 HE ARG 51 -10.240 16.047 18.718 377 HH11 ARG 51 HH11 ARG 51 -12.346 13.278 19.050 378 HH12 ARG 51 HH12 ARG 51 -13.412 14.046 20.187 379 HH21 ARG 51 HH21 ARG 51 -11.641 17.090 20.237 380 HH22 ARG 51 HH22 ARG 51 -13.002 16.203 20.879 381 H THR 52 HN THR 52 -8.757 13.555 13.448 382 HA THR 52 HA THR 52 -9.552 14.973 11.927 383 HB THR 52 HB THR 52 -10.329 17.208 12.663 384 HG1 THR 52 HG1 THR 52 -8.478 16.818 14.603 385 HG21 THR 52 HG21 THR 52 -10.905 14.953 14.584 386 HG22 THR 52 HG22 THR 52 -11.722 15.246 13.048 387 HG23 THR 52 HG23 THR 52 -11.897 16.394 14.375 388 HA PRO 53 HA PRO 53 -5.988 16.800 9.961 389 HB2 PRO 53 HB2 PRO 53 -7.995 17.663 7.960 390 HB3 PRO 53 HB1 PRO 53 -6.542 16.687 7.730 391 HG2 PRO 53 HG2 PRO 53 -8.962 15.570 7.634 392 HG3 PRO 53 HG1 PRO 53 -7.592 14.725 8.383 393 HD2 PRO 53 HD2 PRO 53 -9.855 16.196 9.687 394 HD3 PRO 53 HD1 PRO 53 -9.098 14.651 10.136 395 H GLY 54 HN GLY 54 -8.826 18.353 10.872 396 HA2 GLY 54 HA2 GLY 54 -7.426 20.930 10.985 397 HA3 GLY 54 HA1 GLY 54 -9.016 20.865 10.235 398 H TYR 55 HN TYR 55 -7.262 20.349 13.254 399 HA TYR 55 HA TYR 55 -9.684 20.151 14.773 400 HB2 TYR 55 HB2 TYR 55 -8.046 20.289 16.763 401 HB3 TYR 55 HB1 TYR 55 -7.991 18.871 15.727 402 HD1 TYR 55 HD1 TYR 55 -6.224 21.918 16.752 403 HD2 TYR 55 HD2 TYR 55 -6.089 18.451 14.314 404 HE1 TYR 55 HE1 TYR 55 -3.806 22.270 16.415 405 HE2 TYR 55 HE2 TYR 55 -3.665 18.779 13.959 406 HH TYR 55 HH TYR 55 -1.837 21.071 15.789 407 H PHE 56 HN PHE 56 -10.530 22.163 13.916 408 HA PHE 56 HA PHE 56 -9.405 24.659 14.770 409 HB2 PHE 56 HB2 PHE 56 -10.770 24.372 12.706 410 HB3 PHE 56 HB1 PHE 56 -12.183 24.107 13.725 411 HD1 PHE 56 HD1 PHE 56 -9.593 26.579 12.788 412 HD2 PHE 56 HD2 PHE 56 -13.379 25.941 14.631 413 HE1 PHE 56 HE1 PHE 56 -9.958 29.009 12.871 414 HE2 PHE 56 HE2 PHE 56 -13.749 28.373 14.712 415 HZ PHE 56 HZ PHE 56 -12.036 29.908 13.833 416 H PHE 57 HN PHE 57 -12.210 22.742 15.772 417 HA PHE 57 HA PHE 57 -13.170 24.559 17.680 418 HB2 PHE 57 HB2 PHE 57 -14.523 22.607 18.524 419 HB3 PHE 57 HB1 PHE 57 -14.687 22.913 16.813 420 HD1 PHE 57 HD2 PHE 57 -13.501 21.469 15.222 421 HD2 PHE 57 HD1 PHE 57 -13.792 20.592 19.358 422 HE1 PHE 57 HE2 PHE 57 -12.972 19.161 14.752 423 HE2 PHE 57 HE1 PHE 57 -13.264 18.257 18.906 424 HZ PHE 57 HZ PHE 57 -12.844 17.506 16.593 425 H GLN 58 HN GLN 58 -11.076 21.736 18.079 426 HA GLN 58 HA GLN 58 -9.821 20.965 19.802 427 HB2 GLN 58 HB2 GLN 58 -8.634 23.096 19.338 428 HB3 GLN 58 HB1 GLN 58 -9.636 23.895 20.542 429 HG2 GLN 58 HG2 GLN 58 -8.704 22.426 22.271 430 HG3 GLN 58 HG1 GLN 58 -7.685 21.657 21.054 431 HE21 GLN 58 HE21 GLN 58 -6.876 23.038 23.443 432 HE22 GLN 58 HE22 GLN 58 -5.880 24.356 22.939 433 H GLN 59 HN GLN 59 -11.609 19.878 20.727 434 HA GLN 59 HA GLN 59 -13.317 19.440 22.186 435 HB2 GLN 59 HB2 GLN 59 -11.071 20.355 23.971 436 HB3 GLN 59 HB1 GLN 59 -12.523 19.567 24.577 437 HG2 GLN 59 HG2 GLN 59 -12.030 17.597 23.230 438 HG3 GLN 59 HG1 GLN 59 -10.595 18.387 22.589 439 HE21 GLN 59 HE21 GLN 59 -9.994 19.610 25.207 440 HE22 GLN 59 HE22 GLN 59 -9.340 18.330 26.172 441 H ALA 60 HN ALA 60 -14.789 21.046 21.468 442 HA ALA 60 HA ALA 60 -15.111 23.251 23.384 443 HB1 ALA 60 HB1 ALA 60 -16.050 23.164 20.525 444 HB2 ALA 60 HB2 ALA 60 -14.616 24.009 21.107 445 HB3 ALA 60 HB3 ALA 60 -16.218 24.518 21.645 446 HA PRO 61 HA PRO 61 -18.656 20.445 24.135 447 HB2 PRO 61 HB2 PRO 61 -18.914 21.126 26.755 448 HB3 PRO 61 HB1 PRO 61 -17.803 19.879 26.180 449 HG2 PRO 61 HG2 PRO 61 -17.252 22.714 26.930 450 HG3 PRO 61 HG1 PRO 61 -16.294 21.261 27.258 451 HD2 PRO 61 HD2 PRO 61 -15.691 23.012 25.281 452 HD3 PRO 61 HD1 PRO 61 -15.317 21.285 25.172 453 H ASN 62 HN ASN 62 -18.210 23.852 24.500 454 HA ASN 62 HA ASN 62 -21.071 24.275 24.944 455 HB2 ASN 62 HB2 ASN 62 -18.747 26.207 24.994 456 HB3 ASN 62 HB1 ASN 62 -20.426 26.685 25.198 457 HD21 ASN 62 HD21 ASN 62 -18.181 26.918 27.041 458 HD22 ASN 62 HD22 ASN 62 -18.651 26.080 28.477 459 H ARG 63 HN ARG 63 -19.359 23.589 22.369 460 HA ARG 63 HA ARG 63 -20.996 25.308 20.663 461 HB2 ARG 63 HB2 ARG 63 -18.045 24.806 20.354 462 HB3 ARG 63 HB1 ARG 63 -19.027 25.270 18.985 463 HG2 ARG 63 HG2 ARG 63 -19.688 27.312 20.308 464 HG3 ARG 63 HG1 ARG 63 -18.422 26.858 21.455 465 HD2 ARG 63 HD2 ARG 63 -16.785 26.871 19.596 466 HD3 ARG 63 HD1 ARG 63 -18.075 27.399 18.506 467 HE ARG 63 HE ARG 63 -18.025 29.242 20.558 468 HH11 ARG 63 HH11 ARG 63 -15.790 28.108 18.096 469 HH12 ARG 63 HH12 ARG 63 -14.903 29.588 18.020 470 HH21 ARG 63 HH21 ARG 63 -16.850 31.235 20.441 471 HH22 ARG 63 HH22 ARG 63 -15.512 31.374 19.356 472 H ARG 64 HN ARG 64 -19.845 24.220 18.293 473 HA ARG 64 HA ARG 64 -21.598 22.038 17.870 474 HB2 ARG 64 HB2 ARG 64 -19.365 22.933 16.063 475 HB3 ARG 64 HB1 ARG 64 -20.937 22.271 15.619 476 HG2 ARG 64 HG2 ARG 64 -22.049 24.282 16.321 477 HG3 ARG 64 HG1 ARG 64 -20.546 24.953 16.938 478 HD2 ARG 64 HD2 ARG 64 -19.661 24.787 14.590 479 HD3 ARG 64 HD1 ARG 64 -21.321 24.441 14.094 480 HE ARG 64 HE ARG 64 -20.420 26.930 15.407 481 HH11 ARG 64 HH11 ARG 64 -22.677 25.200 13.324 482 HH12 ARG 64 HH12 ARG 64 -23.578 26.613 12.912 483 HH21 ARG 64 HH21 ARG 64 -21.631 28.797 14.856 484 HH22 ARG 64 HH22 ARG 64 -22.993 28.662 13.795 485 H ARG 65 HN ARG 65 -21.111 19.895 18.064 486 HA ARG 65 HA ARG 65 -18.447 19.188 18.907 487 HB2 ARG 65 HB2 ARG 65 -20.996 17.576 18.698 488 HB3 ARG 65 HB1 ARG 65 -19.467 16.915 19.241 489 HG2 ARG 65 HG2 ARG 65 -20.609 17.378 21.217 490 HG3 ARG 65 HG1 ARG 65 -19.521 18.751 21.028 491 HD2 ARG 65 HD2 ARG 65 -21.734 19.508 21.697 492 HD3 ARG 65 HD1 ARG 65 -21.355 20.071 20.072 493 HE ARG 65 HE ARG 65 -22.980 18.653 19.209 494 HH11 ARG 65 HH11 ARG 65 -22.689 18.208 22.677 495 HH12 ARG 65 HH12 ARG 65 -24.164 17.330 22.829 496 HH21 ARG 65 HH21 ARG 65 -24.978 17.513 19.396 497 HH22 ARG 65 HH22 ARG 65 -25.477 16.940 20.953 498 H ILE 66 HN ILE 66 -20.733 17.806 16.571 499 HA ILE 66 HA ILE 66 -18.442 17.234 14.829 500 HB ILE 66 HB ILE 66 -19.262 15.141 15.716 501 HG12 ILE 66 HG12 ILE 66 -20.216 15.413 12.852 502 HG13 ILE 66 HG11 ILE 66 -18.544 15.181 13.332 503 HG21 ILE 66 HG21 ILE 66 -21.490 15.768 16.364 504 HG22 ILE 66 HG22 ILE 66 -21.562 14.347 15.318 505 HG23 ILE 66 HG23 ILE 66 -21.971 15.937 14.677 506 HD11 ILE 66 HD11 ILE 66 -19.477 13.110 12.579 507 HD12 ILE 66 HD12 ILE 66 -20.797 13.237 13.741 508 HD13 ILE 66 HD13 ILE 66 -19.140 13.011 14.307 509 H SER 67 HN SER 67 -18.515 18.103 12.924 510 HA SER 67 HA SER 67 -20.994 19.423 12.057 511 HB2 SER 67 HB2 SER 67 -18.825 20.756 12.440 512 HB3 SER 67 HB1 SER 67 -18.219 19.941 10.998 513 HG SER 67 HG SER 67 -19.359 21.239 9.806 514 H ARG 68 HN ARG 68 -20.673 16.703 11.729 515 HA ARG 68 HA ARG 68 -20.362 16.401 8.818 516 HB2 ARG 68 HB2 ARG 68 -18.659 15.332 10.533 517 HB3 ARG 68 HB1 ARG 68 -19.937 14.148 10.738 518 HG2 ARG 68 HG2 ARG 68 -19.859 13.663 8.346 519 HG3 ARG 68 HG1 ARG 68 -18.556 14.841 8.165 520 HD2 ARG 68 HD2 ARG 68 -18.493 12.326 9.823 521 HD3 ARG 68 HD1 ARG 68 -17.634 12.609 8.312 522 HE ARG 68 HE ARG 68 -16.902 13.556 10.959 523 HH11 ARG 68 HH11 ARG 68 -16.464 14.106 7.514 524 HH12 ARG 68 HH12 ARG 68 -14.847 14.691 7.699 525 HH21 ARG 68 HH21 ARG 68 -14.776 14.304 11.188 526 HH22 ARG 68 HH22 ARG 68 -13.887 14.813 9.784 527 H GLU 69 HN GLU 69 -21.849 14.789 7.882 528 HA GLU 69 HA GLU 69 -24.432 14.953 9.112 529 HB2 GLU 69 HB2 GLU 69 -25.281 13.864 7.134 530 HB3 GLU 69 HB1 GLU 69 -24.116 15.090 6.659 531 HG2 GLU 69 HG2 GLU 69 -22.422 13.328 6.381 532 HG3 GLU 69 HG1 GLU 69 -23.637 12.126 6.795 533 H HIS 70 HN HIS 70 -25.651 13.388 10.043 534 HA HIS 70 HA HIS 70 -24.762 10.651 10.203 535 HB2 HIS 70 HB2 HIS 70 -24.647 10.643 12.687 536 HB3 HIS 70 HB1 HIS 70 -23.370 11.601 11.947 537 HD2 HIS 70 HD2 HIS 70 -26.577 12.139 14.150 538 HE1 HIS 70 HE1 HIS 70 -24.419 15.781 13.973 539 HE2 HIS 70 HE2 HIS 70 -26.225 14.500 15.156 540 H GLY 71 HN GLY 71 -26.320 9.284 11.288 541 HA2 GLY 71 HA2 GLY 71 -29.021 10.426 11.231 542 HA3 GLY 71 HA1 GLY 71 -28.619 8.708 11.269 543 H ARG 72 HN ARG 72 -27.796 7.821 13.224 544 HA ARG 72 HA ARG 72 -27.439 9.190 15.605 545 HB2 ARG 72 HB2 ARG 72 -29.357 8.511 16.936 546 HB3 ARG 72 HB1 ARG 72 -29.877 9.539 15.615 547 HG2 ARG 72 HG2 ARG 72 -30.687 7.594 14.400 548 HG3 ARG 72 HG1 ARG 72 -30.096 6.533 15.680 549 HD2 ARG 72 HD2 ARG 72 -32.174 8.692 16.028 550 HD3 ARG 72 HD1 ARG 72 -32.517 6.972 15.865 551 HE ARG 72 HE ARG 72 -30.979 8.145 18.114 552 HH11 ARG 72 HH11 ARG 72 -33.292 5.772 16.896 553 HH12 ARG 72 HH12 ARG 72 -33.515 5.016 18.429 554 HH21 ARG 72 HH21 ARG 72 -31.270 7.157 20.109 555 HH22 ARG 72 HH22 ARG 72 -32.358 5.817 20.287 556 H THR 73 HN THR 73 -28.489 6.187 14.204 557 HA THR 73 HA THR 73 -26.904 4.731 16.141 558 HB THR 73 HB THR 73 -27.856 2.799 14.803 559 HG1 THR 73 HG1 THR 73 -29.704 3.318 13.556 560 HG21 THR 73 HG21 THR 73 -28.699 3.442 17.017 561 HG22 THR 73 HG22 THR 73 -30.012 2.898 15.974 562 HG23 THR 73 HG23 THR 73 -29.772 4.621 16.263 563 H TRP 74 HN TRP 74 -26.503 6.244 13.242 564 HA TRP 74 HA TRP 74 -24.066 4.798 12.681 565 HB2 TRP 74 HB2 TRP 74 -24.559 4.577 10.289 566 HB3 TRP 74 HB1 TRP 74 -25.760 3.709 11.239 567 HD1 TRP 74 HD1 TRP 74 -28.270 4.608 11.161 568 HE1 TRP 74 HE1 TRP 74 -29.487 6.232 9.577 569 HE3 TRP 74 HE3 TRP 74 -24.208 6.739 8.893 570 HZ2 TRP 74 HZ2 TRP 74 -28.813 8.168 7.625 571 HZ3 TRP 74 HZ3 TRP 74 -24.577 8.467 7.184 572 HH2 TRP 74 HH2 TRP 74 -26.827 9.168 6.562 573 H THR 75 HN THR 75 -22.506 6.085 11.757 574 HA THR 75 HA THR 75 -23.292 8.652 10.682 575 HB THR 75 HB THR 75 -22.751 9.152 13.075 576 HG1 THR 75 HG1 THR 75 -20.634 10.374 11.794 577 HG21 THR 75 HG21 THR 75 -20.342 9.136 13.726 578 HG22 THR 75 HG22 THR 75 -20.014 8.153 12.301 579 HG23 THR 75 HG23 THR 75 -21.056 7.527 13.582 580 H LYS 76 HN LYS 76 -21.834 9.511 9.215 581 HA LYS 76 HA LYS 76 -20.133 7.509 7.992 582 HB2 LYS 76 HB2 LYS 76 -21.609 8.783 6.550 583 HB3 LYS 76 HB1 LYS 76 -20.948 10.294 7.142 584 HG2 LYS 76 HG2 LYS 76 -18.839 9.857 6.062 585 HG3 LYS 76 HG1 LYS 76 -19.377 8.243 5.589 586 HD2 LYS 76 HD2 LYS 76 -19.544 9.780 3.706 587 HD3 LYS 76 HD1 LYS 76 -21.147 9.252 4.210 588 HE2 LYS 76 HE2 LYS 76 -21.437 11.350 5.448 589 HE3 LYS 76 HE1 LYS 76 -19.840 11.877 4.917 590 HZ1 LYS 76 HZ1 LYS 76 -21.996 11.166 3.018 591 HZ2 LYS 76 HZ2 LYS 76 -20.575 12.024 2.698 592 HZ3 LYS 76 HZ3 LYS 76 -21.810 12.729 3.617 593 H LEU 77 HN LEU 77 -18.033 7.374 8.356 594 HA LEU 77 HA LEU 77 -16.721 9.595 9.727 595 HB2 LEU 77 HB2 LEU 77 -16.207 6.667 9.603 596 HB3 LEU 77 HB1 LEU 77 -14.847 7.732 9.882 597 HG LEU 77 HG LEU 77 -15.685 6.868 11.981 598 HD11 LEU 77 HD11 LEU 77 -14.759 9.133 11.921 599 HD12 LEU 77 HD12 LEU 77 -15.979 8.947 13.176 600 HD13 LEU 77 HD13 LEU 77 -16.379 9.787 11.681 601 HD21 LEU 77 HD21 LEU 77 -18.294 8.163 11.218 602 HD22 LEU 77 HD22 LEU 77 -17.922 7.464 12.793 603 HD23 LEU 77 HD23 LEU 77 -17.989 6.432 11.361 604 H THR 78 HN THR 78 -15.661 10.950 8.554 605 HA THR 78 HA THR 78 -14.292 9.981 6.149 606 HB THR 78 HB THR 78 -15.107 12.826 6.787 607 HG1 THR 78 HG1 THR 78 -16.629 10.761 6.094 608 HG21 THR 78 HG21 THR 78 -14.280 11.489 4.194 609 HG22 THR 78 HG22 THR 78 -13.271 12.579 5.147 610 HG23 THR 78 HG23 THR 78 -14.742 13.181 4.380 611 H TYR 79 HN TYR 79 -12.327 9.414 7.025 612 HA TYR 79 HA TYR 79 -10.955 11.244 8.829 613 HB2 TYR 79 HB2 TYR 79 -10.131 8.551 7.733 614 HB3 TYR 79 HB1 TYR 79 -9.216 9.484 8.906 615 HD1 TYR 79 HD2 TYR 79 -10.236 9.902 11.175 616 HD2 TYR 79 HD1 TYR 79 -11.898 7.144 8.396 617 HE1 TYR 79 HE2 TYR 79 -11.475 8.816 12.999 618 HE2 TYR 79 HE1 TYR 79 -13.141 6.056 10.214 619 HH TYR 79 HH TYR 79 -13.494 7.434 13.280 620 H ALA 80 HN ALA 80 -11.159 10.629 5.517 621 HA ALA 80 HA ALA 80 -10.174 11.522 3.691 622 HB1 ALA 80 HB1 ALA 80 -8.685 13.448 3.878 623 HB2 ALA 80 HB2 ALA 80 -8.543 13.187 5.615 624 HB3 ALA 80 HB3 ALA 80 -10.096 13.643 4.916 625 H ASN 81 HN ASN 81 -7.827 10.742 6.230 626 HA ASN 81 HA ASN 81 -5.806 10.008 4.314 627 HB2 ASN 81 HB2 ASN 81 -5.922 9.616 7.304 628 HB3 ASN 81 HB1 ASN 81 -4.531 9.226 6.300 629 HD21 ASN 81 HD21 ASN 81 -6.393 11.715 7.757 630 HD22 ASN 81 HD22 ASN 81 -5.310 13.007 7.406 631 H HIS 82 HN HIS 82 -5.231 8.063 3.665 632 HA HIS 82 HA HIS 82 -7.190 6.015 3.693 633 HB2 HIS 82 HB2 HIS 82 -5.590 6.402 1.811 634 HB3 HIS 82 HB1 HIS 82 -4.310 5.740 2.820 635 HD2 HIS 82 HD2 HIS 82 -4.129 2.985 2.792 636 HE1 HIS 82 HE1 HIS 82 -7.717 2.244 0.655 637 HE2 HIS 82 HE2 HIS 82 -5.531 1.285 1.441 638 H SER 83 HN SER 83 -4.190 6.452 5.497 639 HA SER 83 HA SER 83 -3.999 3.870 6.565 640 HB2 SER 83 HB2 SER 83 -2.737 5.150 8.434 641 HB3 SER 83 HB1 SER 83 -2.090 5.192 6.794 642 HG SER 83 HG SER 83 -2.976 7.234 8.340 643 H SER 84 HN SER 84 -5.550 6.787 7.916 644 HA SER 84 HA SER 84 -6.536 5.488 10.225 645 HB2 SER 84 HB2 SER 84 -8.054 7.551 10.297 646 HB3 SER 84 HB1 SER 84 -6.314 7.837 10.347 647 HG SER 84 HG SER 84 -7.884 7.915 7.978 648 H TYR 85 HN TYR 85 -7.688 5.833 6.990 649 HA TYR 85 HA TYR 85 -10.409 5.260 7.270 650 HB2 TYR 85 HB2 TYR 85 -9.573 6.093 5.205 651 HB3 TYR 85 HB1 TYR 85 -8.421 4.778 5.056 652 HD1 TYR 85 HD1 TYR 85 -12.001 5.660 4.825 653 HD2 TYR 85 HD2 TYR 85 -9.023 2.729 4.052 654 HE1 TYR 85 HE1 TYR 85 -13.586 4.422 3.414 655 HE2 TYR 85 HE2 TYR 85 -10.587 1.479 2.647 656 HH TYR 85 HH TYR 85 -13.478 2.802 1.525 657 H LEU 86 HN LEU 86 -7.669 3.051 6.681 658 HA LEU 86 HA LEU 86 -9.240 0.742 6.559 659 HB2 LEU 86 HB2 LEU 86 -7.028 0.977 5.544 660 HB3 LEU 86 HB1 LEU 86 -6.309 1.078 7.138 661 HG LEU 86 HG LEU 86 -7.047 -1.168 7.619 662 HD11 LEU 86 HD11 LEU 86 -9.020 -1.299 6.208 663 HD12 LEU 86 HD12 LEU 86 -7.907 -2.601 5.791 664 HD13 LEU 86 HD13 LEU 86 -8.018 -1.169 4.762 665 HD21 LEU 86 HD21 LEU 86 -5.483 -0.916 5.064 666 HD22 LEU 86 HD22 LEU 86 -5.511 -2.338 6.107 667 HD23 LEU 86 HD23 LEU 86 -4.828 -0.821 6.702 668 H ARG 87 HN ARG 87 -7.659 2.441 9.163 669 HA ARG 87 HA ARG 87 -7.742 0.404 11.130 670 HB2 ARG 87 HB2 ARG 87 -7.835 3.398 11.555 671 HB3 ARG 87 HB1 ARG 87 -7.365 2.193 12.741 672 HG2 ARG 87 HG2 ARG 87 -5.881 2.776 10.187 673 HG3 ARG 87 HG1 ARG 87 -5.462 3.411 11.775 674 HD2 ARG 87 HD2 ARG 87 -5.030 1.182 12.592 675 HD3 ARG 87 HD1 ARG 87 -5.572 0.484 11.063 676 HE ARG 87 HE ARG 87 -3.464 2.355 10.681 677 HH11 ARG 87 HH11 ARG 87 -4.073 -0.933 11.737 678 HH12 ARG 87 HH12 ARG 87 -2.532 -1.530 11.225 679 HH21 ARG 87 HH21 ARG 87 -1.406 1.566 9.989 680 HH22 ARG 87 HH22 ARG 87 -1.010 -0.099 10.233 681 H ALA 88 HN ALA 88 -10.184 2.335 9.743 682 HA ALA 88 HA ALA 88 -11.960 2.150 12.038 683 HB1 ALA 88 HB1 ALA 88 -13.447 3.590 10.794 684 HB2 ALA 88 HB2 ALA 88 -12.428 3.443 9.362 685 HB3 ALA 88 HB3 ALA 88 -11.815 4.258 10.800 686 H LEU 89 HN LEU 89 -11.250 0.260 9.321 687 HA LEU 89 HA LEU 89 -13.800 -0.489 8.406 688 HB2 LEU 89 HB2 LEU 89 -11.675 -0.954 7.221 689 HB3 LEU 89 HB1 LEU 89 -11.287 -2.160 8.430 690 HG LEU 89 HG LEU 89 -13.289 -3.455 7.729 691 HD11 LEU 89 HD11 LEU 89 -13.445 -1.361 5.575 692 HD12 LEU 89 HD12 LEU 89 -14.644 -1.677 6.832 693 HD13 LEU 89 HD13 LEU 89 -14.337 -2.880 5.579 694 HD21 LEU 89 HD21 LEU 89 -12.353 -4.249 5.618 695 HD22 LEU 89 HD22 LEU 89 -11.094 -4.003 6.832 696 HD23 LEU 89 HD23 LEU 89 -11.319 -2.822 5.540 697 H ARG 90 HN ARG 90 -11.699 -2.112 10.778 698 HA ARG 90 HA ARG 90 -12.093 -3.693 12.384 699 HB2 ARG 90 HB2 ARG 90 -14.593 -2.034 12.706 700 HB3 ARG 90 HB1 ARG 90 -13.915 -3.112 13.922 701 HG2 ARG 90 HG2 ARG 90 -12.506 -0.717 12.764 702 HG3 ARG 90 HG1 ARG 90 -13.355 -0.750 14.311 703 HD2 ARG 90 HD2 ARG 90 -11.829 -2.295 15.226 704 HD3 ARG 90 HD1 ARG 90 -11.133 -2.664 13.650 705 HE ARG 90 HE ARG 90 -10.774 0.043 14.130 706 HH11 ARG 90 HH11 ARG 90 -9.721 -3.008 15.482 707 HH12 ARG 90 HH12 ARG 90 -8.146 -2.429 15.896 708 HH21 ARG 90 HH21 ARG 90 -8.691 0.808 14.634 709 HH22 ARG 90 HH22 ARG 90 -7.546 -0.244 15.391 710 H GLU 91 HN GLU 91 -12.966 -4.579 9.824 711 HA GLU 91 HA GLU 91 -15.466 -5.988 10.322 712 HB2 GLU 91 HB2 GLU 91 -14.999 -4.894 8.119 713 HB3 GLU 91 HB1 GLU 91 -13.670 -6.013 7.878 714 HG2 GLU 91 HG2 GLU 91 -15.357 -7.872 8.027 715 HG3 GLU 91 HG1 GLU 91 -16.608 -6.631 7.981 716 H HIS 92 HN HIS 92 -14.018 -7.008 12.142 717 HA HIS 92 HA HIS 92 -13.605 -9.724 11.399 718 HB2 HIS 92 HB2 HIS 92 -11.476 -8.817 10.554 719 HB3 HIS 92 HB1 HIS 92 -11.122 -8.152 12.143 720 HD2 HIS 92 HD2 HIS 92 -11.345 -11.686 10.418 721 HE1 HIS 92 HE1 HIS 92 -9.075 -12.016 13.983 722 HE2 HIS 92 HE2 HIS 92 -9.896 -13.209 11.926 723 H GLY 93 HN GLY 93 -15.059 -10.112 13.051 724 HA2 GLY 93 HA2 GLY 93 -15.759 -10.556 15.194 725 HA3 GLY 93 HA1 GLY 93 -14.069 -10.901 15.497 726 H THR 94 HN THR 94 -15.446 -7.749 14.710 727 HA THR 94 HA THR 94 -14.331 -6.786 17.221 728 HB THR 94 HB THR 94 -15.367 -5.182 14.868 729 HG1 THR 94 HG1 THR 94 -13.237 -6.673 14.977 730 HG21 THR 94 HG21 THR 94 -13.621 -4.382 17.212 731 HG22 THR 94 HG22 THR 94 -15.320 -3.950 17.010 732 HG23 THR 94 HG23 THR 94 -14.117 -3.338 15.881 733 H ILE 95 HN ILE 95 -15.944 -7.596 18.575 734 HA ILE 95 HA ILE 95 -18.632 -6.477 18.279 735 HB ILE 95 HB ILE 95 -17.605 -8.605 20.172 736 HG12 ILE 95 HG12 ILE 95 -19.389 -8.898 17.748 737 HG13 ILE 95 HG11 ILE 95 -17.667 -9.259 17.761 738 HG21 ILE 95 HG21 ILE 95 -19.476 -7.388 21.134 739 HG22 ILE 95 HG22 ILE 95 -19.966 -9.021 20.683 740 HG23 ILE 95 HG23 ILE 95 -20.422 -7.652 19.669 741 HD11 ILE 95 HD11 ILE 95 -18.994 -11.278 17.962 742 HD12 ILE 95 HD12 ILE 95 -19.777 -10.635 19.405 743 HD13 ILE 95 HD13 ILE 95 -18.053 -11.002 19.427 744 H TYR 96 HN TYR 96 -19.135 -4.713 19.385 745 HA TYR 96 HA TYR 96 -17.515 -4.115 21.760 746 HB2 TYR 96 HB2 TYR 96 -17.344 -2.604 19.650 747 HB3 TYR 96 HB1 TYR 96 -18.925 -2.006 20.146 748 HD1 TYR 96 HD1 TYR 96 -15.377 -2.208 21.012 749 HD2 TYR 96 HD2 TYR 96 -19.157 -0.597 22.110 750 HE1 TYR 96 HE1 TYR 96 -14.261 -0.686 22.573 751 HE2 TYR 96 HE2 TYR 96 -18.047 0.938 23.684 752 HH TYR 96 HH TYR 96 -14.634 1.392 23.698 753 H CYS 97 HN CYS 97 -18.570 -4.136 23.583 754 HA CYS 97 HA CYS 97 -20.144 -3.952 25.179 755 HB2 CYS 97 HB2 CYS 97 -20.683 -1.752 24.226 756 HB3 CYS 97 HB1 CYS 97 -21.802 -2.510 23.101 757 HG CYS 97 HG CYS 97 -22.717 -3.510 26.034 758 H GLY 98 HN GLY 98 -21.723 -4.769 22.092 759 HA2 GLY 98 HA2 GLY 98 -22.607 -7.277 23.223 760 HA3 GLY 98 HA1 GLY 98 -23.909 -6.129 22.958 761 H ALA 99 HN ALA 99 -22.417 -5.085 20.508 762 HA ALA 99 HA ALA 99 -22.875 -7.377 18.745 763 HB1 ALA 99 HB1 ALA 99 -24.164 -6.002 17.203 764 HB2 ALA 99 HB2 ALA 99 -24.022 -4.624 18.297 765 HB3 ALA 99 HB3 ALA 99 -24.936 -6.050 18.788 766 H ALA 100 HN ALA 100 -21.879 -7.204 16.671 767 HA ALA 100 HA ALA 100 -19.345 -5.881 16.712 768 HB1 ALA 100 HB1 ALA 100 -19.609 -8.057 15.617 769 HB2 ALA 100 HB2 ALA 100 -19.040 -6.846 14.469 770 HB3 ALA 100 HB3 ALA 100 -20.731 -7.348 14.459 771 H ILE 101 HN ILE 101 -18.687 -4.110 15.611 772 HA ILE 101 HA ILE 101 -20.812 -2.407 14.621 773 HB ILE 101 HB ILE 101 -19.075 -0.634 14.497 774 HG12 ILE 101 HG12 ILE 101 -17.248 -2.685 15.786 775 HG13 ILE 101 HG11 ILE 101 -17.119 -2.124 14.122 776 HG21 ILE 101 HG21 ILE 101 -19.293 -2.032 17.164 777 HG22 ILE 101 HG22 ILE 101 -20.439 -0.872 16.491 778 HG23 ILE 101 HG23 ILE 101 -18.810 -0.353 16.922 779 HD11 ILE 101 HD11 ILE 101 -16.643 0.128 14.906 780 HD12 ILE 101 HD12 ILE 101 -15.504 -1.029 15.593 781 HD13 ILE 101 HD13 ILE 101 -16.828 -0.402 16.577 782 H GLY 102 HN GLY 102 -21.185 -1.993 12.555 783 HA2 GLY 102 HA2 GLY 102 -19.502 -3.418 10.624 784 HA3 GLY 102 HA1 GLY 102 -21.169 -2.921 10.367 785 H CYS 103 HN CYS 103 -18.172 -2.352 9.380 786 HA CYS 103 HA CYS 103 -18.800 0.433 8.711 787 HB2 CYS 103 HB2 CYS 103 -16.034 -0.681 9.185 788 HB3 CYS 103 HB1 CYS 103 -16.452 0.992 8.841 789 HG CYS 103 HG CYS 103 -15.656 0.571 11.536 790 H VAL 104 HN VAL 104 -19.095 0.644 6.618 791 HA VAL 104 HA VAL 104 -17.434 -0.916 4.758 792 HB VAL 104 HB VAL 104 -19.374 -1.087 3.200 793 HG11 VAL 104 HG11 VAL 104 -20.547 -2.891 4.342 794 HG12 VAL 104 HG12 VAL 104 -19.824 -2.395 5.874 795 HG13 VAL 104 HG13 VAL 104 -18.801 -2.998 4.567 796 HG21 VAL 104 HG21 VAL 104 -20.957 -0.087 5.559 797 HG22 VAL 104 HG22 VAL 104 -21.646 -0.749 4.076 798 HG23 VAL 104 HG23 VAL 104 -20.710 0.746 4.023 799 HA PRO 105 HA PRO 105 -16.724 2.946 2.691 800 HB2 PRO 105 HB2 PRO 105 -17.327 1.638 0.101 801 HB3 PRO 105 HB1 PRO 105 -15.842 2.430 0.635 802 HG2 PRO 105 HG2 PRO 105 -15.996 -0.236 0.407 803 HG3 PRO 105 HG1 PRO 105 -15.051 0.537 1.692 804 HD2 PRO 105 HD2 PRO 105 -17.737 -0.760 1.832 805 HD3 PRO 105 HD1 PRO 105 -16.402 -0.793 3.003 806 H TYR 106 HN TYR 106 -17.889 4.658 1.865 807 HA TYR 106 HA TYR 106 -20.638 4.687 2.264 808 HB2 TYR 106 HB2 TYR 106 -19.210 6.704 2.272 809 HB3 TYR 106 HB1 TYR 106 -19.006 6.558 0.532 810 HD1 TYR 106 HD2 TYR 106 -20.853 7.118 -0.990 811 HD2 TYR 106 HD1 TYR 106 -21.274 7.510 3.219 812 HE1 TYR 106 HE2 TYR 106 -22.873 8.488 -1.328 813 HE2 TYR 106 HE1 TYR 106 -23.281 8.887 2.900 814 HH TYR 106 HH TYR 106 -24.899 9.133 -0.058 815 H LYS 107 HN LYS 107 -22.261 3.937 1.153 816 HA LYS 107 HA LYS 107 -22.136 3.885 -1.755 817 HB2 LYS 107 HB2 LYS 107 -22.849 1.568 0.022 818 HB3 LYS 107 HB1 LYS 107 -23.404 1.645 -1.640 819 HG2 LYS 107 HG2 LYS 107 -21.024 1.810 -2.363 820 HG3 LYS 107 HG1 LYS 107 -20.552 1.596 -0.675 821 HD2 LYS 107 HD2 LYS 107 -21.570 -0.584 -0.620 822 HD3 LYS 107 HD1 LYS 107 -22.200 -0.366 -2.254 823 HE2 LYS 107 HE2 LYS 107 -19.280 -0.441 -1.494 824 HE3 LYS 107 HE1 LYS 107 -20.180 -1.770 -2.223 825 HZ1 LYS 107 HZ1 LYS 107 -20.608 -0.309 -4.150 826 HZ2 LYS 107 HZ2 LYS 107 -18.971 -0.623 -3.925 827 HZ3 LYS 107 HZ3 LYS 107 -19.611 0.873 -3.471 828 H HIS 108 HN HIS 108 -24.180 3.906 -2.813 829 HA HIS 108 HA HIS 108 -25.937 5.799 -1.665 830 HB2 HIS 108 HB2 HIS 108 -26.384 3.998 -4.051 831 HB3 HIS 108 HB1 HIS 108 -27.318 5.433 -3.657 832 HD2 HIS 108 HD2 HIS 108 -25.974 7.884 -4.156 833 HE1 HIS 108 HE1 HIS 108 -22.835 6.076 -6.355 834 HE2 HIS 108 HE2 HIS 108 -23.837 8.244 -5.577 835 H GLU 109 HN GLU 109 -26.292 2.339 -2.347 836 HA GLU 109 HA GLU 109 -28.954 2.150 -1.407 837 HB2 GLU 109 HB2 GLU 109 -27.808 0.521 -2.953 838 HB3 GLU 109 HB1 GLU 109 -26.920 -0.082 -1.563 839 HG2 GLU 109 HG2 GLU 109 -28.729 -1.565 -1.947 840 HG3 GLU 109 HG1 GLU 109 -29.122 -0.633 -0.504 841 H LEU 110 HN LEU 110 -25.818 1.831 0.100 842 HA LEU 110 HA LEU 110 -26.513 0.554 2.485 843 HB2 LEU 110 HB2 LEU 110 -24.201 1.040 1.573 844 HB3 LEU 110 HB1 LEU 110 -24.400 2.691 2.105 845 HG LEU 110 HG LEU 110 -22.968 1.326 3.589 846 HD11 LEU 110 HD11 LEU 110 -25.496 2.294 4.892 847 HD12 LEU 110 HD12 LEU 110 -24.066 3.259 4.527 848 HD13 LEU 110 HD13 LEU 110 -23.974 1.960 5.718 849 HD21 LEU 110 HD21 LEU 110 -23.954 -0.372 5.011 850 HD22 LEU 110 HD22 LEU 110 -24.083 -0.798 3.302 851 HD23 LEU 110 HD23 LEU 110 -25.495 -0.189 4.170 852 H ILE 111 HN ILE 111 -26.338 4.025 1.717 853 HA ILE 111 HA ILE 111 -27.191 4.935 4.254 854 HB ILE 111 HB ILE 111 -27.501 6.331 1.585 855 HG12 ILE 111 HG12 ILE 111 -25.179 5.679 1.994 856 HG13 ILE 111 HG11 ILE 111 -25.361 7.422 2.113 857 HG21 ILE 111 HG21 ILE 111 -28.859 7.328 3.372 858 HG22 ILE 111 HG22 ILE 111 -27.547 8.399 2.887 859 HG23 ILE 111 HG23 ILE 111 -27.421 7.471 4.382 860 HD11 ILE 111 HD11 ILE 111 -25.143 5.487 4.409 861 HD12 ILE 111 HD12 ILE 111 -25.391 7.225 4.563 862 HD13 ILE 111 HD13 ILE 111 -23.899 6.607 3.851 863 H SER 112 HN SER 112 -28.898 4.221 1.278 864 HA SER 112 HA SER 112 -31.442 5.092 2.040 865 HB2 SER 112 HB2 SER 112 -30.740 2.866 0.118 866 HB3 SER 112 HB1 SER 112 -32.243 3.787 0.156 867 HG SER 112 HG SER 112 -29.643 4.694 -0.520 868 H GLU 113 HN GLU 113 -29.852 1.939 2.426 869 HA GLU 113 HA GLU 113 -32.122 0.566 3.404 870 HB2 GLU 113 HB2 GLU 113 -29.182 0.005 3.791 871 HB3 GLU 113 HB1 GLU 113 -30.478 -1.104 4.222 872 HG2 GLU 113 HG2 GLU 113 -31.179 -1.190 1.884 873 HG3 GLU 113 HG1 GLU 113 -29.883 -0.080 1.456 874 H LEU 114 HN LEU 114 -29.460 2.235 5.074 875 HA LEU 114 HA LEU 114 -30.318 1.642 7.674 876 HB2 LEU 114 HB2 LEU 114 -28.558 3.717 6.459 877 HB3 LEU 114 HB1 LEU 114 -29.017 3.864 8.142 878 HG LEU 114 HG LEU 114 -26.786 2.783 7.644 879 HD11 LEU 114 HD11 LEU 114 -28.798 1.245 9.282 880 HD12 LEU 114 HD12 LEU 114 -27.841 2.623 9.827 881 HD13 LEU 114 HD13 LEU 114 -27.046 1.102 9.423 882 HD21 LEU 114 HD21 LEU 114 -27.449 1.354 5.793 883 HD22 LEU 114 HD22 LEU 114 -28.529 0.452 6.857 884 HD23 LEU 114 HD23 LEU 114 -26.787 0.390 7.114 885 H SER 115 HN SER 115 -31.188 4.246 5.465 886 HA SER 115 HA SER 115 -32.598 5.702 7.478 887 HB2 SER 115 HB2 SER 115 -33.289 7.137 5.529 888 HB3 SER 115 HB1 SER 115 -31.552 6.996 5.790 889 HG SER 115 HG SER 115 -31.355 5.794 4.022 890 H ARG 116 HN ARG 116 -33.465 2.923 5.804 891 HA ARG 116 HA ARG 116 -36.147 3.552 5.109 892 HB2 ARG 116 HB2 ARG 116 -36.539 1.207 4.806 893 HB3 ARG 116 HB1 ARG 116 -34.912 1.545 4.243 894 HG2 ARG 116 HG2 ARG 116 -34.009 0.650 6.338 895 HG3 ARG 116 HG1 ARG 116 -35.648 0.301 6.886 896 HD2 ARG 116 HD2 ARG 116 -34.404 -0.836 4.383 897 HD3 ARG 116 HD1 ARG 116 -34.456 -1.674 5.930 898 HE ARG 116 HE ARG 116 -37.059 -0.891 5.221 899 HH11 ARG 116 HH11 ARG 116 -34.590 -3.171 4.192 900 HH12 ARG 116 HH12 ARG 116 -35.731 -4.321 3.583 901 HH21 ARG 116 HH21 ARG 116 -38.560 -2.429 4.391 902 HH22 ARG 116 HH22 ARG 116 -37.978 -3.901 3.695 903 H GLU 117 HN GLU 117 -34.667 2.905 8.137 904 HA GLU 117 HA GLU 117 -37.320 3.129 9.363 905 HB2 GLU 117 HB2 GLU 117 -36.333 0.792 9.558 906 HB3 GLU 117 HB1 GLU 117 -35.067 1.499 10.551 907 HG2 GLU 117 HG2 GLU 117 -36.751 2.245 12.162 908 HG3 GLU 117 HG1 GLU 117 -38.014 1.527 11.165 909 H GLY 118 HN GLY 118 -34.794 4.758 8.682 910 HA2 GLY 118 HA2 GLY 118 -34.355 5.915 11.358 911 HA3 GLY 118 HA1 GLY 118 -33.239 6.064 10.006 912 H HIS 119 HN HIS 119 -35.531 6.560 8.157 913 HA HIS 119 HA HIS 119 -35.819 9.395 8.789 914 HB2 HIS 119 HB2 HIS 119 -34.859 8.753 6.579 915 HB3 HIS 119 HB1 HIS 119 -36.366 7.931 6.193 916 HD2 HIS 119 HD2 HIS 119 -35.298 11.659 7.016 917 HE1 HIS 119 HE1 HIS 119 -38.548 11.668 4.298 918 HE2 HIS 119 HE2 HIS 119 -36.859 13.075 5.516 919 H HIS 120 HN HIS 120 -37.468 9.381 10.239 920 HA HIS 120 HA HIS 120 -39.931 7.953 9.711 921 HB2 HIS 120 HB2 HIS 120 -38.963 9.672 11.983 922 HB3 HIS 120 HB1 HIS 120 -40.633 9.141 11.886 923 HD2 HIS 120 HD2 HIS 120 -41.088 6.583 12.757 924 HE1 HIS 120 HE1 HIS 120 -37.035 5.493 13.348 925 HE2 HIS 120 HE2 HIS 120 -39.428 4.962 13.892 926 H HIS 121 HN HIS 121 -39.510 9.732 7.696 927 HA HIS 121 HA HIS 121 -41.760 11.551 8.077 928 HB2 HIS 121 HB2 HIS 121 -39.061 12.354 6.973 929 HB3 HIS 121 HB1 HIS 121 -40.526 13.274 6.668 930 HD2 HIS 121 HD2 HIS 121 -37.939 12.686 9.497 931 HE1 HIS 121 HE1 HIS 121 -40.763 15.538 10.857 932 HE2 HIS 121 HE2 HIS 121 -38.515 14.498 11.253 933 H HIS 122 HN HIS 122 -42.899 12.015 6.190 934 HA HIS 122 HA HIS 122 -42.665 9.962 4.166 935 HB2 HIS 122 HB2 HIS 122 -44.894 10.463 4.961 936 HB3 HIS 122 HB1 HIS 122 -44.680 12.176 4.625 937 HD2 HIS 122 HD2 HIS 122 -45.352 12.952 2.064 938 HE1 HIS 122 HE1 HIS 122 -46.147 9.079 0.541 939 HE2 HIS 122 HE2 HIS 122 -46.119 11.546 0.042 940 H HIS 123 HN HIS 123 -41.710 10.233 2.237 941 HA HIS 123 HA HIS 123 -40.419 12.705 1.610 942 HB2 HIS 123 HB2 HIS 123 -40.750 10.136 0.054 943 HB3 HIS 123 HB1 HIS 123 -39.911 11.536 -0.600 944 HD2 HIS 123 HD2 HIS 123 -39.342 8.665 1.955 945 HE1 HIS 123 HE1 HIS 123 -35.760 10.909 1.658 946 HE2 HIS 123 HE2 HIS 123 -36.793 8.718 2.327 947 H HIS 124 HN HIS 124 -41.412 14.390 0.838 948 HA HIS 124 HA HIS 124 -43.968 14.129 -0.453 949 HB2 HIS 124 HB2 HIS 124 -44.146 16.521 -0.321 950 HB3 HIS 124 HB1 HIS 124 -43.481 15.959 1.203 951 HD2 HIS 124 HD2 HIS 124 -40.491 16.344 1.238 952 HE1 HIS 124 HE1 HIS 124 -40.853 19.757 -1.248 953 HE2 HIS 124 HE2 HIS 124 -39.300 18.369 0.158 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -17.875 -0.378 -19.917 2 H2 MET 1 HT2 MET 1 -18.761 0.696 -20.881 3 H3 MET 1 HT3 MET 1 -19.511 -0.104 -19.603 4 HA MET 1 HA MET 1 -18.281 1.079 -18.007 5 HB2 MET 1 HB2 MET 1 -16.836 2.196 -20.413 6 HB3 MET 1 HB1 MET 1 -16.749 2.936 -18.820 7 HG2 MET 1 HG2 MET 1 -14.809 1.578 -19.139 8 HG3 MET 1 HG1 MET 1 -15.840 0.813 -17.932 9 HE1 MET 1 HE1 MET 1 -13.469 -0.761 -19.302 10 HE2 MET 1 HE2 MET 1 -14.263 -2.295 -19.660 11 HE3 MET 1 HE3 MET 1 -14.585 -1.469 -18.136 12 H SER 2 HN SER 2 -19.099 3.031 -17.194 13 HA SER 2 HA SER 2 -20.906 4.480 -19.003 14 HB2 SER 2 HB2 SER 2 -21.528 3.741 -16.135 15 HB3 SER 2 HB1 SER 2 -22.609 4.519 -17.288 16 HG SER 2 HG SER 2 -21.664 1.865 -17.232 17 H LEU 3 HN LEU 3 -21.327 6.662 -18.405 18 HA LEU 3 HA LEU 3 -19.118 7.944 -17.076 19 HB2 LEU 3 HB2 LEU 3 -21.538 8.958 -18.534 20 HB3 LEU 3 HB1 LEU 3 -20.524 10.046 -17.613 21 HG LEU 3 HG LEU 3 -19.931 10.174 -19.935 22 HD11 LEU 3 HD11 LEU 3 -18.135 10.387 -18.309 23 HD12 LEU 3 HD12 LEU 3 -17.565 9.708 -19.833 24 HD13 LEU 3 HD13 LEU 3 -17.808 8.656 -18.438 25 HD21 LEU 3 HD21 LEU 3 -20.716 8.013 -20.705 26 HD22 LEU 3 HD22 LEU 3 -19.436 7.201 -19.807 27 HD23 LEU 3 HD23 LEU 3 -19.032 8.247 -21.167 28 H GLY 4 HN GLY 4 -19.349 9.461 -15.340 29 HA2 GLY 4 HA2 GLY 4 -20.424 10.311 -13.438 30 HA3 GLY 4 HA1 GLY 4 -21.751 9.189 -13.712 31 H SER 5 HN SER 5 -19.086 9.818 -11.829 32 HA SER 5 HA SER 5 -19.031 7.042 -10.910 33 HB2 SER 5 HB2 SER 5 -16.546 7.572 -10.392 34 HB3 SER 5 HB1 SER 5 -17.010 7.130 -12.048 35 HG SER 5 HG SER 5 -16.523 9.085 -12.689 36 H GLU 6 HN GLU 6 -18.396 6.713 -8.754 37 HA GLU 6 HA GLU 6 -19.340 8.786 -7.001 38 HB2 GLU 6 HB2 GLU 6 -18.518 5.923 -6.543 39 HB3 GLU 6 HB1 GLU 6 -19.016 7.004 -5.251 40 HG2 GLU 6 HG2 GLU 6 -20.715 6.273 -7.621 41 HG3 GLU 6 HG1 GLU 6 -20.817 5.520 -6.029 42 H SER 7 HN SER 7 -17.399 10.023 -7.785 43 HA SER 7 HA SER 7 -14.869 9.431 -6.623 44 HB2 SER 7 HB2 SER 7 -14.346 11.792 -7.351 45 HB3 SER 7 HB1 SER 7 -14.914 10.725 -8.636 46 HG SER 7 HG SER 7 -16.298 12.815 -7.313 47 H GLU 8 HN GLU 8 -17.618 10.289 -5.189 48 HA GLU 8 HA GLU 8 -16.469 12.256 -3.388 49 HB2 GLU 8 HB2 GLU 8 -19.301 11.248 -3.531 50 HB3 GLU 8 HB1 GLU 8 -18.725 12.590 -2.548 51 HG2 GLU 8 HG2 GLU 8 -18.846 12.441 -5.549 52 HG3 GLU 8 HG1 GLU 8 -19.797 13.474 -4.485 53 H THR 9 HN THR 9 -16.350 9.069 -3.486 54 HA THR 9 HA THR 9 -17.083 8.432 -0.787 55 HB THR 9 HB THR 9 -15.710 6.308 -1.313 56 HG1 THR 9 HG1 THR 9 -14.792 6.237 -3.206 57 HG21 THR 9 HG21 THR 9 -17.559 5.379 -2.643 58 HG22 THR 9 HG22 THR 9 -18.152 7.011 -2.951 59 HG23 THR 9 HG23 THR 9 -18.148 6.369 -1.310 60 H GLY 10 HN GLY 10 -13.989 8.677 -2.518 61 HA2 GLY 10 HA2 GLY 10 -11.876 9.198 -1.778 62 HA3 GLY 10 HA1 GLY 10 -12.678 10.153 -0.540 63 H ASN 11 HN ASN 11 -12.371 9.576 1.472 64 HA ASN 11 HA ASN 11 -11.459 6.837 2.058 65 HB2 ASN 11 HB2 ASN 11 -10.604 9.439 3.344 66 HB3 ASN 11 HB1 ASN 11 -10.151 7.843 3.929 67 HD21 ASN 11 HD21 ASN 11 -9.796 6.677 1.338 68 HD22 ASN 11 HD22 ASN 11 -8.368 7.370 0.664 69 H ALA 12 HN ALA 12 -14.128 8.255 2.084 70 HA ALA 12 HA ALA 12 -14.839 8.394 4.870 71 HB1 ALA 12 HB1 ALA 12 -17.058 8.953 4.074 72 HB2 ALA 12 HB2 ALA 12 -16.599 8.517 2.428 73 HB3 ALA 12 HB3 ALA 12 -15.844 9.902 3.218 74 H VAL 13 HN VAL 13 -15.974 6.968 6.041 75 HA VAL 13 HA VAL 13 -16.926 4.495 4.769 76 HB VAL 13 HB VAL 13 -16.168 3.212 6.754 77 HG11 VAL 13 HG11 VAL 13 -13.783 3.144 6.196 78 HG12 VAL 13 HG12 VAL 13 -13.956 4.652 5.301 79 HG13 VAL 13 HG13 VAL 13 -14.789 3.200 4.752 80 HG21 VAL 13 HG21 VAL 13 -14.525 4.201 8.280 81 HG22 VAL 13 HG22 VAL 13 -16.077 5.035 8.361 82 HG23 VAL 13 HG23 VAL 13 -14.729 5.760 7.481 83 H VAL 14 HN VAL 14 -18.481 3.325 6.214 84 HA VAL 14 HA VAL 14 -19.994 5.252 7.867 85 HB VAL 14 HB VAL 14 -21.124 2.933 6.272 86 HG11 VAL 14 HG11 VAL 14 -23.320 3.932 6.856 87 HG12 VAL 14 HG12 VAL 14 -22.483 5.059 7.928 88 HG13 VAL 14 HG13 VAL 14 -22.433 3.326 8.254 89 HG21 VAL 14 HG21 VAL 14 -20.357 4.771 4.837 90 HG22 VAL 14 HG22 VAL 14 -21.356 5.899 5.756 91 HG23 VAL 14 HG23 VAL 14 -22.114 4.612 4.814 92 H VAL 15 HN VAL 15 -20.285 4.694 9.934 93 HA VAL 15 HA VAL 15 -19.620 1.933 10.742 94 HB VAL 15 HB VAL 15 -19.728 4.328 12.579 95 HG11 VAL 15 HG11 VAL 15 -19.791 2.033 13.547 96 HG12 VAL 15 HG12 VAL 15 -18.402 2.985 14.066 97 HG13 VAL 15 HG13 VAL 15 -18.209 1.738 12.835 98 HG21 VAL 15 HG21 VAL 15 -17.286 3.284 11.149 99 HG22 VAL 15 HG22 VAL 15 -17.318 4.581 12.345 100 HG23 VAL 15 HG23 VAL 15 -18.116 4.798 10.787 101 H PHE 16 HN PHE 16 -21.146 0.742 11.840 102 HA PHE 16 HA PHE 16 -23.543 2.082 12.808 103 HB2 PHE 16 HB2 PHE 16 -25.035 0.549 11.567 104 HB3 PHE 16 HB1 PHE 16 -24.110 1.595 10.496 105 HD1 PHE 16 HD2 PHE 16 -22.320 0.670 9.103 106 HD2 PHE 16 HD1 PHE 16 -24.695 -1.840 11.599 107 HE1 PHE 16 HE2 PHE 16 -21.519 -1.308 7.874 108 HE2 PHE 16 HE1 PHE 16 -23.893 -3.818 10.373 109 HZ PHE 16 HZ PHE 16 -22.304 -3.552 8.510 110 H GLY 17 HN GLY 17 -24.897 0.743 14.151 111 HA2 GLY 17 HA2 GLY 17 -25.321 -1.416 15.194 112 HA3 GLY 17 HA1 GLY 17 -23.599 -1.736 15.106 113 H TYR 18 HN TYR 18 -25.070 1.279 16.232 114 HA TYR 18 HA TYR 18 -24.613 0.594 19.001 115 HB2 TYR 18 HB2 TYR 18 -23.174 2.628 19.353 116 HB3 TYR 18 HB1 TYR 18 -22.406 1.297 18.498 117 HD1 TYR 18 HD1 TYR 18 -23.723 4.723 18.175 118 HD2 TYR 18 HD2 TYR 18 -21.814 1.482 16.178 119 HE1 TYR 18 HE1 TYR 18 -23.138 6.207 16.316 120 HE2 TYR 18 HE2 TYR 18 -21.236 2.972 14.324 121 HH TYR 18 HH TYR 18 -21.641 6.379 14.503 122 H ARG 19 HN ARG 19 -25.165 2.511 20.455 123 HA ARG 19 HA ARG 19 -27.292 4.166 19.271 124 HB2 ARG 19 HB2 ARG 19 -28.775 3.688 21.113 125 HB3 ARG 19 HB1 ARG 19 -28.317 2.174 20.346 126 HG2 ARG 19 HG2 ARG 19 -26.683 1.798 22.176 127 HG3 ARG 19 HG1 ARG 19 -27.215 3.302 22.914 128 HD2 ARG 19 HD2 ARG 19 -29.454 2.449 23.174 129 HD3 ARG 19 HD1 ARG 19 -29.020 0.961 22.337 130 HE ARG 19 HE ARG 19 -27.419 0.607 24.252 131 HH11 ARG 19 HH11 ARG 19 -30.319 2.543 24.683 132 HH12 ARG 19 HH12 ARG 19 -30.557 2.071 26.326 133 HH21 ARG 19 HH21 ARG 19 -27.727 -0.028 26.453 134 HH22 ARG 19 HH22 ARG 19 -29.069 0.608 27.336 135 H GLU 20 HN GLU 20 -28.013 5.917 20.822 136 HA GLU 20 HA GLU 20 -25.747 7.317 21.832 137 HB2 GLU 20 HB2 GLU 20 -27.785 8.417 20.872 138 HB3 GLU 20 HB1 GLU 20 -28.668 7.923 22.312 139 HG2 GLU 20 HG2 GLU 20 -26.462 9.209 23.343 140 HG3 GLU 20 HG1 GLU 20 -26.846 10.147 21.902 141 H ALA 21 HN ALA 21 -24.841 6.143 23.415 142 HA ALA 21 HA ALA 21 -25.646 6.493 26.067 143 HB1 ALA 21 HB1 ALA 21 -26.232 4.218 26.755 144 HB2 ALA 21 HB2 ALA 21 -26.133 3.672 25.085 145 HB3 ALA 21 HB3 ALA 21 -27.386 4.817 25.560 146 H ILE 22 HN ILE 22 -23.964 4.642 23.716 147 HA ILE 22 HA ILE 22 -21.820 3.955 25.568 148 HB ILE 22 HB ILE 22 -21.046 2.475 23.714 149 HG12 ILE 22 HG12 ILE 22 -22.932 2.079 21.914 150 HG13 ILE 22 HG11 ILE 22 -23.394 3.731 22.297 151 HG21 ILE 22 HG21 ILE 22 -23.940 2.120 24.508 152 HG22 ILE 22 HG22 ILE 22 -22.536 1.608 25.450 153 HG23 ILE 22 HG23 ILE 22 -22.880 0.854 23.891 154 HD11 ILE 22 HD11 ILE 22 -21.091 4.435 21.714 155 HD12 ILE 22 HD12 ILE 22 -22.003 3.753 20.372 156 HD13 ILE 22 HD13 ILE 22 -20.775 2.782 21.184 157 H THR 23 HN THR 23 -22.356 6.699 24.258 158 HA THR 23 HA THR 23 -20.575 7.138 22.156 159 HB THR 23 HB THR 23 -21.328 9.198 24.215 160 HG1 THR 23 HG1 THR 23 -23.282 9.098 23.456 161 HG21 THR 23 HG21 THR 23 -21.106 10.732 22.267 162 HG22 THR 23 HG22 THR 23 -20.512 9.368 21.314 163 HG23 THR 23 HG23 THR 23 -19.595 9.934 22.710 164 H LYS 24 HN LYS 24 -20.117 7.651 25.630 165 HA LYS 24 HA LYS 24 -17.575 8.793 25.370 166 HB2 LYS 24 HB2 LYS 24 -18.715 7.279 27.722 167 HB3 LYS 24 HB1 LYS 24 -17.271 8.278 27.763 168 HG2 LYS 24 HG2 LYS 24 -20.104 9.191 27.280 169 HG3 LYS 24 HG1 LYS 24 -19.104 9.512 28.693 170 HD2 LYS 24 HD2 LYS 24 -18.644 10.554 25.883 171 HD3 LYS 24 HD1 LYS 24 -19.201 11.488 27.266 172 HE2 LYS 24 HE2 LYS 24 -16.513 10.168 26.941 173 HE3 LYS 24 HE1 LYS 24 -16.851 11.894 26.865 174 HZ1 LYS 24 HZ1 LYS 24 -17.148 10.160 29.270 175 HZ2 LYS 24 HZ2 LYS 24 -17.524 11.808 29.216 176 HZ3 LYS 24 HZ3 LYS 24 -15.929 11.302 29.006 177 H GLN 25 HN GLN 25 -18.569 5.431 25.624 178 HA GLN 25 HA GLN 25 -15.982 4.366 26.052 179 HB2 GLN 25 HB2 GLN 25 -18.422 3.080 24.825 180 HB3 GLN 25 HB1 GLN 25 -16.977 2.218 25.340 181 HG2 GLN 25 HG2 GLN 25 -17.363 2.979 27.641 182 HG3 GLN 25 HG1 GLN 25 -18.836 3.790 27.112 183 HE21 GLN 25 HE21 GLN 25 -20.248 2.616 28.304 184 HE22 GLN 25 HE22 GLN 25 -20.547 0.927 28.065 185 H ILE 26 HN ILE 26 -17.949 4.554 23.055 186 HA ILE 26 HA ILE 26 -15.847 3.649 21.396 187 HB ILE 26 HB ILE 26 -18.478 4.959 20.793 188 HG12 ILE 26 HG12 ILE 26 -17.176 2.319 20.114 189 HG13 ILE 26 HG11 ILE 26 -18.500 2.602 21.234 190 HG21 ILE 26 HG21 ILE 26 -18.051 4.925 18.407 191 HG22 ILE 26 HG22 ILE 26 -16.395 4.394 18.688 192 HG23 ILE 26 HG23 ILE 26 -16.907 5.999 19.214 193 HD11 ILE 26 HD11 ILE 26 -19.365 1.630 19.232 194 HD12 ILE 26 HD12 ILE 26 -18.578 2.855 18.239 195 HD13 ILE 26 HD13 ILE 26 -19.903 3.309 19.309 196 H LEU 27 HN LEU 27 -16.872 6.876 22.314 197 HA LEU 27 HA LEU 27 -15.206 8.365 20.658 198 HB2 LEU 27 HB2 LEU 27 -16.979 9.417 21.898 199 HB3 LEU 27 HB1 LEU 27 -16.335 8.865 23.417 200 HG LEU 27 HG LEU 27 -16.182 11.365 22.799 201 HD11 LEU 27 HD11 LEU 27 -15.205 10.478 24.766 202 HD12 LEU 27 HD12 LEU 27 -14.068 11.603 24.018 203 HD13 LEU 27 HD13 LEU 27 -13.820 9.861 23.865 204 HD21 LEU 27 HD21 LEU 27 -14.005 11.948 21.708 205 HD22 LEU 27 HD22 LEU 27 -15.233 11.290 20.622 206 HD23 LEU 27 HD23 LEU 27 -13.902 10.270 21.170 207 H ALA 28 HN ALA 28 -14.548 6.863 23.810 208 HA ALA 28 HA ALA 28 -11.984 7.932 24.200 209 HB1 ALA 28 HB1 ALA 28 -11.627 6.072 25.746 210 HB2 ALA 28 HB2 ALA 28 -13.064 5.268 25.111 211 HB3 ALA 28 HB3 ALA 28 -13.215 6.804 25.963 212 H TYR 29 HN TYR 29 -13.065 5.317 22.143 213 HA TYR 29 HA TYR 29 -10.327 4.405 21.683 214 HB2 TYR 29 HB2 TYR 29 -12.036 2.679 22.004 215 HB3 TYR 29 HB1 TYR 29 -12.949 3.310 20.635 216 HD1 TYR 29 HD1 TYR 29 -9.805 1.631 21.605 217 HD2 TYR 29 HD2 TYR 29 -12.399 2.677 18.409 218 HE1 TYR 29 HE1 TYR 29 -8.528 0.164 20.094 219 HE2 TYR 29 HE2 TYR 29 -11.144 1.233 16.893 220 HH TYR 29 HH TYR 29 -8.928 -1.067 17.963 221 H PHE 30 HN PHE 30 -13.033 5.749 19.820 222 HA PHE 30 HA PHE 30 -11.450 5.745 17.401 223 HB2 PHE 30 HB2 PHE 30 -14.313 6.431 17.972 224 HB3 PHE 30 HB1 PHE 30 -13.561 6.817 16.428 225 HD1 PHE 30 HD1 PHE 30 -14.489 4.050 18.682 226 HD2 PHE 30 HD2 PHE 30 -13.184 5.172 14.793 227 HE1 PHE 30 HE1 PHE 30 -14.959 1.774 17.872 228 HE2 PHE 30 HE2 PHE 30 -13.648 2.900 13.975 229 HZ PHE 30 HZ PHE 30 -14.538 1.196 15.515 230 H ALA 31 HN ALA 31 -11.711 7.882 19.934 231 HA ALA 31 HA ALA 31 -11.783 10.403 18.703 232 HB1 ALA 31 HB1 ALA 31 -10.196 9.662 21.150 233 HB2 ALA 31 HB2 ALA 31 -11.918 10.036 21.140 234 HB3 ALA 31 HB3 ALA 31 -10.744 11.275 20.689 235 H GLN 32 HN GLN 32 -9.522 8.020 18.270 236 HA GLN 32 HA GLN 32 -7.130 9.481 18.102 237 HB2 GLN 32 HB2 GLN 32 -7.970 6.990 16.617 238 HB3 GLN 32 HB1 GLN 32 -6.328 7.608 16.707 239 HG2 GLN 32 HG2 GLN 32 -7.983 6.641 19.028 240 HG3 GLN 32 HG1 GLN 32 -6.677 5.756 18.240 241 HE21 GLN 32 HE21 GLN 32 -7.005 6.662 21.003 242 HE22 GLN 32 HE22 GLN 32 -5.607 7.608 21.362 243 H PHE 33 HN PHE 33 -9.861 9.172 15.928 244 HA PHE 33 HA PHE 33 -8.469 10.965 14.080 245 HB2 PHE 33 HB2 PHE 33 -9.861 8.421 13.237 246 HB3 PHE 33 HB1 PHE 33 -9.349 9.692 12.132 247 HD1 PHE 33 HD2 PHE 33 -6.915 10.158 11.840 248 HD2 PHE 33 HD1 PHE 33 -8.336 6.821 14.066 249 HE1 PHE 33 HE2 PHE 33 -4.701 9.100 11.660 250 HE2 PHE 33 HE1 PHE 33 -6.129 5.754 13.885 251 HZ PHE 33 HZ PHE 33 -4.308 6.893 12.682 252 H GLY 34 HN GLY 34 -11.665 9.298 14.195 253 HA2 GLY 34 HA2 GLY 34 -12.804 11.784 13.118 254 HA3 GLY 34 HA1 GLY 34 -13.526 10.198 12.992 255 H GLU 35 HN GLU 35 -15.211 12.005 13.561 256 HA GLU 35 HA GLU 35 -15.649 12.165 16.471 257 HB2 GLU 35 HB2 GLU 35 -16.821 13.730 14.156 258 HB3 GLU 35 HB1 GLU 35 -17.295 13.932 15.833 259 HG2 GLU 35 HG2 GLU 35 -15.139 14.770 16.414 260 HG3 GLU 35 HG1 GLU 35 -14.500 14.384 14.812 261 H ILE 36 HN ILE 36 -17.364 11.003 17.309 262 HA ILE 36 HA ILE 36 -19.393 10.010 15.432 263 HB ILE 36 HB ILE 36 -18.377 8.282 17.689 264 HG12 ILE 36 HG12 ILE 36 -17.401 6.900 15.686 265 HG13 ILE 36 HG11 ILE 36 -17.428 8.449 14.859 266 HG21 ILE 36 HG21 ILE 36 -20.646 7.838 16.847 267 HG22 ILE 36 HG22 ILE 36 -19.549 6.496 16.529 268 HG23 ILE 36 HG23 ILE 36 -19.980 7.608 15.231 269 HD11 ILE 36 HD11 ILE 36 -15.986 9.398 16.577 270 HD12 ILE 36 HD12 ILE 36 -15.246 8.009 15.783 271 HD13 ILE 36 HD13 ILE 36 -15.938 7.834 17.397 272 H LEU 37 HN LEU 37 -21.449 10.053 16.155 273 HA LEU 37 HA LEU 37 -23.262 10.591 17.365 274 HB2 LEU 37 HB2 LEU 37 -21.558 9.980 19.782 275 HB3 LEU 37 HB1 LEU 37 -23.298 10.182 19.797 276 HG LEU 37 HG LEU 37 -22.832 8.179 17.902 277 HD11 LEU 37 HD11 LEU 37 -21.463 6.553 18.994 278 HD12 LEU 37 HD12 LEU 37 -21.224 7.620 20.376 279 HD13 LEU 37 HD13 LEU 37 -20.531 8.041 18.809 280 HD21 LEU 37 HD21 LEU 37 -24.732 8.245 19.394 281 HD22 LEU 37 HD22 LEU 37 -23.683 8.000 20.791 282 HD23 LEU 37 HD23 LEU 37 -23.877 6.714 19.603 283 H GLU 38 HN GLU 38 -23.632 11.988 19.791 284 HA GLU 38 HA GLU 38 -22.426 14.579 19.063 285 HB2 GLU 38 HB2 GLU 38 -25.265 13.988 19.883 286 HB3 GLU 38 HB1 GLU 38 -24.603 15.608 19.715 287 HG2 GLU 38 HG2 GLU 38 -24.201 15.239 17.363 288 HG3 GLU 38 HG1 GLU 38 -24.742 13.569 17.504 289 H ASP 39 HN ASP 39 -22.846 12.340 21.560 290 HA ASP 39 HA ASP 39 -22.834 14.334 23.690 291 HB2 ASP 39 HB2 ASP 39 -24.263 12.353 23.977 292 HB3 ASP 39 HB1 ASP 39 -22.859 11.305 23.854 293 H LEU 40 HN LEU 40 -20.804 15.249 23.239 294 HA LEU 40 HA LEU 40 -18.454 13.611 23.331 295 HB2 LEU 40 HB2 LEU 40 -19.031 16.433 22.703 296 HB3 LEU 40 HB1 LEU 40 -17.482 16.152 23.467 297 HG LEU 40 HG LEU 40 -17.305 16.191 21.039 298 HD11 LEU 40 HD11 LEU 40 -15.828 14.808 22.457 299 HD12 LEU 40 HD12 LEU 40 -15.994 14.207 20.805 300 HD13 LEU 40 HD13 LEU 40 -16.867 13.425 22.126 301 HD21 LEU 40 HD21 LEU 40 -19.554 15.347 20.514 302 HD22 LEU 40 HD22 LEU 40 -19.082 13.753 21.108 303 HD23 LEU 40 HD23 LEU 40 -18.296 14.430 19.681 304 H GLU 41 HN GLU 41 -19.735 16.209 25.380 305 HA GLU 41 HA GLU 41 -19.385 16.770 27.530 306 HB2 GLU 41 HB2 GLU 41 -20.167 14.510 28.054 307 HB3 GLU 41 HB1 GLU 41 -18.546 13.882 27.817 308 HG2 GLU 41 HG2 GLU 41 -17.828 15.415 29.699 309 HG3 GLU 41 HG1 GLU 41 -19.545 15.658 30.017 310 H SER 42 HN SER 42 -16.792 14.403 27.402 311 HA SER 42 HA SER 42 -14.844 16.544 27.817 312 HB2 SER 42 HB2 SER 42 -13.552 14.433 28.812 313 HB3 SER 42 HB1 SER 42 -14.715 15.333 29.788 314 HG SER 42 HG SER 42 -16.145 13.739 29.614 315 H GLU 43 HN GLU 43 -13.980 16.898 25.905 316 HA GLU 43 HA GLU 43 -13.799 14.788 23.916 317 HB2 GLU 43 HB2 GLU 43 -12.880 17.549 23.398 318 HB3 GLU 43 HB1 GLU 43 -13.745 16.441 22.350 319 HG2 GLU 43 HG2 GLU 43 -15.434 17.902 22.761 320 HG3 GLU 43 HG1 GLU 43 -15.673 16.811 24.118 321 H LEU 44 HN LEU 44 -11.913 15.073 26.278 322 HA LEU 44 HA LEU 44 -9.722 15.052 26.775 323 HB2 LEU 44 HB2 LEU 44 -8.315 13.611 25.218 324 HB3 LEU 44 HB1 LEU 44 -9.709 12.870 25.962 325 HG LEU 44 HG LEU 44 -10.217 13.986 23.288 326 HD11 LEU 44 HD11 LEU 44 -7.977 13.229 22.904 327 HD12 LEU 44 HD12 LEU 44 -9.124 12.130 22.137 328 HD13 LEU 44 HD13 LEU 44 -8.336 11.668 23.651 329 HD21 LEU 44 HD21 LEU 44 -11.348 11.837 23.003 330 HD22 LEU 44 HD22 LEU 44 -11.856 12.646 24.486 331 HD23 LEU 44 HD23 LEU 44 -10.719 11.298 24.563 332 H GLY 45 HN GLY 45 -9.609 17.372 26.516 333 HA2 GLY 45 HA2 GLY 45 -8.044 19.052 26.039 334 HA3 GLY 45 HA1 GLY 45 -7.433 18.074 24.713 335 H ASP 46 HN ASP 46 -7.798 20.739 24.320 336 HA ASP 46 HA ASP 46 -10.384 21.099 23.004 337 HB2 ASP 46 HB2 ASP 46 -9.754 23.429 22.733 338 HB3 ASP 46 HB1 ASP 46 -9.473 22.942 24.400 339 H THR 47 HN THR 47 -7.711 19.600 22.253 340 HA THR 47 HA THR 47 -7.163 20.616 19.633 341 HB THR 47 HB THR 47 -5.383 19.526 20.910 342 HG1 THR 47 HG1 THR 47 -6.126 17.987 18.622 343 HG21 THR 47 HG21 THR 47 -7.039 17.009 20.680 344 HG22 THR 47 HG22 THR 47 -6.732 17.915 22.161 345 HG23 THR 47 HG23 THR 47 -5.403 17.109 21.331 346 H GLU 48 HN GLU 48 -9.918 19.518 20.498 347 HA GLU 48 HA GLU 48 -10.573 17.265 18.942 348 HB2 GLU 48 HB2 GLU 48 -12.073 18.109 20.651 349 HB3 GLU 48 HB1 GLU 48 -12.258 19.632 19.795 350 HG2 GLU 48 HG2 GLU 48 -13.403 18.467 17.967 351 HG3 GLU 48 HG1 GLU 48 -13.198 16.936 18.817 352 H THR 49 HN THR 49 -10.420 20.684 18.227 353 HA THR 49 HA THR 49 -11.582 20.613 15.668 354 HB THR 49 HB THR 49 -11.316 22.631 17.006 355 HG1 THR 49 HG1 THR 49 -11.688 23.141 14.958 356 HG21 THR 49 HG21 THR 49 -9.069 22.242 17.869 357 HG22 THR 49 HG22 THR 49 -9.169 23.809 17.064 358 HG23 THR 49 HG23 THR 49 -8.408 22.443 16.244 359 H MET 50 HN MET 50 -8.539 19.580 16.789 360 HA MET 50 HA MET 50 -7.403 19.653 14.091 361 HB2 MET 50 HB2 MET 50 -6.053 20.681 15.911 362 HB3 MET 50 HB1 MET 50 -6.018 19.127 16.734 363 HG2 MET 50 HG2 MET 50 -3.946 19.514 15.571 364 HG3 MET 50 HG1 MET 50 -4.815 18.161 14.844 365 HE1 MET 50 HE1 MET 50 -3.164 19.556 11.665 366 HE2 MET 50 HE2 MET 50 -3.546 18.132 12.635 367 HE3 MET 50 HE3 MET 50 -2.455 19.363 13.270 368 H ARG 51 HN ARG 51 -9.145 17.683 16.033 369 HA ARG 51 HA ARG 51 -7.834 15.182 15.741 370 HB2 ARG 51 HB2 ARG 51 -9.879 16.004 17.248 371 HB3 ARG 51 HB1 ARG 51 -10.800 15.355 15.903 372 HG2 ARG 51 HG2 ARG 51 -10.702 13.577 17.341 373 HG3 ARG 51 HG1 ARG 51 -9.341 13.249 16.256 374 HD2 ARG 51 HD2 ARG 51 -8.598 12.910 18.498 375 HD3 ARG 51 HD1 ARG 51 -7.860 14.393 17.895 376 HE ARG 51 HE ARG 51 -10.276 14.991 19.220 377 HH11 ARG 51 HH11 ARG 51 -6.985 14.014 19.869 378 HH12 ARG 51 HH12 ARG 51 -6.947 14.691 21.457 379 HH21 ARG 51 HH21 ARG 51 -10.242 15.902 21.356 380 HH22 ARG 51 HH22 ARG 51 -8.814 15.749 22.311 381 H THR 52 HN THR 52 -10.418 16.758 14.167 382 HA THR 52 HA THR 52 -10.244 15.003 11.835 383 HB THR 52 HB THR 52 -12.430 16.414 11.346 384 HG1 THR 52 HG1 THR 52 -13.460 16.769 13.524 385 HG21 THR 52 HG21 THR 52 -12.305 14.206 13.409 386 HG22 THR 52 HG22 THR 52 -12.393 13.992 11.660 387 HG23 THR 52 HG23 THR 52 -13.754 14.701 12.528 388 HA PRO 53 HA PRO 53 -7.984 18.391 10.011 389 HB2 PRO 53 HB2 PRO 53 -8.544 17.195 7.391 390 HB3 PRO 53 HB1 PRO 53 -7.003 17.386 8.229 391 HG2 PRO 53 HG2 PRO 53 -8.178 14.978 7.911 392 HG3 PRO 53 HG1 PRO 53 -7.201 15.382 9.334 393 HD2 PRO 53 HD2 PRO 53 -10.177 15.303 9.039 394 HD3 PRO 53 HD1 PRO 53 -9.159 14.737 10.378 395 H GLY 54 HN GLY 54 -8.873 20.347 9.910 396 HA2 GLY 54 HA2 GLY 54 -9.872 22.176 8.934 397 HA3 GLY 54 HA1 GLY 54 -10.273 21.164 7.560 398 H TYR 55 HN TYR 55 -11.369 22.377 10.673 399 HA TYR 55 HA TYR 55 -14.043 21.655 9.867 400 HB2 TYR 55 HB2 TYR 55 -12.676 20.783 12.320 401 HB3 TYR 55 HB1 TYR 55 -14.325 21.375 12.538 402 HD1 TYR 55 HD1 TYR 55 -12.303 18.963 10.547 403 HD2 TYR 55 HD2 TYR 55 -16.164 20.021 11.978 404 HE1 TYR 55 HE1 TYR 55 -13.197 16.837 9.696 405 HE2 TYR 55 HE2 TYR 55 -17.059 17.888 11.138 406 HH TYR 55 HH TYR 55 -16.530 16.202 9.493 407 H PHE 56 HN PHE 56 -15.555 22.687 11.674 408 HA PHE 56 HA PHE 56 -15.258 25.512 10.960 409 HB2 PHE 56 HB2 PHE 56 -17.657 23.900 11.780 410 HB3 PHE 56 HB1 PHE 56 -17.714 25.591 11.338 411 HD1 PHE 56 HD2 PHE 56 -17.024 26.225 8.970 412 HD2 PHE 56 HD1 PHE 56 -17.711 22.209 10.192 413 HE1 PHE 56 HE2 PHE 56 -17.277 25.553 6.616 414 HE2 PHE 56 HE1 PHE 56 -17.964 21.529 7.846 415 HZ PHE 56 HZ PHE 56 -17.748 23.201 6.050 416 H PHE 57 HN PHE 57 -14.461 23.940 13.695 417 HA PHE 57 HA PHE 57 -14.939 26.248 15.360 418 HB2 PHE 57 HB2 PHE 57 -16.249 24.991 17.090 419 HB3 PHE 57 HB1 PHE 57 -17.133 25.208 15.592 420 HD1 PHE 57 HD2 PHE 57 -17.222 23.347 14.005 421 HD2 PHE 57 HD1 PHE 57 -15.860 22.907 17.993 422 HE1 PHE 57 HE2 PHE 57 -17.597 20.984 13.848 423 HE2 PHE 57 HE1 PHE 57 -16.244 20.495 17.866 424 HZ PHE 57 HZ PHE 57 -17.115 19.504 15.771 425 H GLN 58 HN GLN 58 -13.930 26.093 17.452 426 HA GLN 58 HA GLN 58 -11.668 24.289 17.426 427 HB2 GLN 58 HB2 GLN 58 -11.206 26.589 17.993 428 HB3 GLN 58 HB1 GLN 58 -12.405 26.558 19.277 429 HG2 GLN 58 HG2 GLN 58 -11.061 24.987 20.539 430 HG3 GLN 58 HG1 GLN 58 -9.885 24.909 19.230 431 HE21 GLN 58 HE21 GLN 58 -8.273 25.569 20.687 432 HE22 GLN 58 HE22 GLN 58 -8.126 27.223 21.161 433 H GLN 59 HN GLN 59 -14.477 25.038 19.402 434 HA GLN 59 HA GLN 59 -14.839 22.392 20.339 435 HB2 GLN 59 HB2 GLN 59 -12.950 23.014 21.795 436 HB3 GLN 59 HB1 GLN 59 -13.809 24.453 22.312 437 HG2 GLN 59 HG2 GLN 59 -15.556 23.016 23.275 438 HG3 GLN 59 HG1 GLN 59 -14.586 21.607 22.840 439 HE21 GLN 59 HE21 GLN 59 -14.343 20.970 24.972 440 HE22 GLN 59 HE22 GLN 59 -13.323 21.821 26.087 441 H ALA 60 HN ALA 60 -16.999 22.612 19.797 442 HA ALA 60 HA ALA 60 -18.473 24.806 21.112 443 HB1 ALA 60 HB1 ALA 60 -20.045 24.794 19.240 444 HB2 ALA 60 HB2 ALA 60 -19.116 23.508 18.467 445 HB3 ALA 60 HB3 ALA 60 -18.396 25.101 18.693 446 HA PRO 61 HA PRO 61 -20.075 20.944 23.062 447 HB2 PRO 61 HB2 PRO 61 -20.832 22.971 25.096 448 HB3 PRO 61 HB1 PRO 61 -19.982 21.433 25.303 449 HG2 PRO 61 HG2 PRO 61 -18.637 23.709 25.488 450 HG3 PRO 61 HG1 PRO 61 -17.936 22.326 24.625 451 HD2 PRO 61 HD2 PRO 61 -19.306 24.749 23.504 452 HD3 PRO 61 HD1 PRO 61 -17.780 23.988 22.994 453 H ASN 62 HN ASN 62 -21.644 24.052 22.578 454 HA ASN 62 HA ASN 62 -24.287 22.956 23.173 455 HB2 ASN 62 HB2 ASN 62 -23.394 25.767 22.498 456 HB3 ASN 62 HB1 ASN 62 -25.051 25.314 22.871 457 HD21 ASN 62 HD21 ASN 62 -23.182 27.147 24.212 458 HD22 ASN 62 HD22 ASN 62 -23.089 26.605 25.850 459 H ARG 63 HN ARG 63 -22.471 22.699 20.548 460 HA ARG 63 HA ARG 63 -24.703 23.066 18.708 461 HB2 ARG 63 HB2 ARG 63 -23.062 24.836 18.400 462 HB3 ARG 63 HB1 ARG 63 -21.768 23.656 18.310 463 HG2 ARG 63 HG2 ARG 63 -22.146 24.259 16.119 464 HG3 ARG 63 HG1 ARG 63 -22.992 22.718 16.326 465 HD2 ARG 63 HD2 ARG 63 -24.340 24.367 15.063 466 HD3 ARG 63 HD1 ARG 63 -25.105 23.857 16.565 467 HE ARG 63 HE ARG 63 -23.771 26.087 17.305 468 HH11 ARG 63 HH11 ARG 63 -25.985 25.463 14.660 469 HH12 ARG 63 HH12 ARG 63 -26.644 27.059 14.666 470 HH21 ARG 63 HH21 ARG 63 -24.635 28.198 17.321 471 HH22 ARG 63 HH22 ARG 63 -25.854 28.637 16.175 472 H ARG 64 HN ARG 64 -24.903 21.395 17.155 473 HA ARG 64 HA ARG 64 -23.770 18.895 17.707 474 HB2 ARG 64 HB2 ARG 64 -24.545 18.261 15.409 475 HB3 ARG 64 HB1 ARG 64 -25.783 18.929 16.462 476 HG2 ARG 64 HG2 ARG 64 -25.558 21.078 15.352 477 HG3 ARG 64 HG1 ARG 64 -24.338 20.401 14.276 478 HD2 ARG 64 HD2 ARG 64 -25.926 18.806 13.417 479 HD3 ARG 64 HD1 ARG 64 -27.148 19.373 14.553 480 HE ARG 64 HE ARG 64 -26.438 21.606 13.153 481 HH11 ARG 64 HH11 ARG 64 -27.621 18.422 12.230 482 HH12 ARG 64 HH12 ARG 64 -28.470 18.986 10.834 483 HH21 ARG 64 HH21 ARG 64 -27.590 22.366 11.289 484 HH22 ARG 64 HH22 ARG 64 -28.459 21.234 10.309 485 H ARG 65 HN ARG 65 -21.676 18.572 17.723 486 HA ARG 65 HA ARG 65 -19.812 20.194 16.404 487 HB2 ARG 65 HB2 ARG 65 -19.410 17.479 17.655 488 HB3 ARG 65 HB1 ARG 65 -18.141 18.628 17.256 489 HG2 ARG 65 HG2 ARG 65 -19.164 20.244 18.819 490 HG3 ARG 65 HG1 ARG 65 -20.328 19.004 19.279 491 HD2 ARG 65 HD2 ARG 65 -18.368 17.552 19.873 492 HD3 ARG 65 HD1 ARG 65 -17.351 18.977 19.663 493 HE ARG 65 HE ARG 65 -19.612 19.051 21.537 494 HH11 ARG 65 HH11 ARG 65 -16.168 19.357 20.918 495 HH12 ARG 65 HH12 ARG 65 -15.801 19.721 22.577 496 HH21 ARG 65 HH21 ARG 65 -19.073 19.522 23.754 497 HH22 ARG 65 HH22 ARG 65 -17.404 19.818 24.154 498 H ILE 66 HN ILE 66 -20.954 16.925 15.709 499 HA ILE 66 HA ILE 66 -19.204 16.618 13.522 500 HB ILE 66 HB ILE 66 -20.088 14.650 14.581 501 HG12 ILE 66 HG12 ILE 66 -21.265 14.798 11.810 502 HG13 ILE 66 HG11 ILE 66 -19.542 14.652 12.114 503 HG21 ILE 66 HG21 ILE 66 -22.454 13.981 14.369 504 HG22 ILE 66 HG22 ILE 66 -22.811 15.548 13.642 505 HG23 ILE 66 HG23 ILE 66 -22.254 15.459 15.312 506 HD11 ILE 66 HD11 ILE 66 -20.534 12.506 11.567 507 HD12 ILE 66 HD12 ILE 66 -21.674 12.671 12.906 508 HD13 ILE 66 HD13 ILE 66 -19.950 12.492 13.239 509 H SER 67 HN SER 67 -19.276 17.461 11.646 510 HA SER 67 HA SER 67 -21.176 19.365 10.937 511 HB2 SER 67 HB2 SER 67 -19.171 17.993 9.146 512 HB3 SER 67 HB1 SER 67 -20.002 19.510 8.809 513 HG SER 67 HG SER 67 -18.847 19.627 11.229 514 H ARG 68 HN ARG 68 -20.890 15.985 10.037 515 HA ARG 68 HA ARG 68 -23.075 16.243 8.163 516 HB2 ARG 68 HB2 ARG 68 -21.190 14.624 7.710 517 HB3 ARG 68 HB1 ARG 68 -21.720 13.729 9.120 518 HG2 ARG 68 HG2 ARG 68 -23.894 13.323 8.143 519 HG3 ARG 68 HG1 ARG 68 -23.444 14.254 6.716 520 HD2 ARG 68 HD2 ARG 68 -21.710 12.658 6.207 521 HD3 ARG 68 HD1 ARG 68 -22.109 11.751 7.668 522 HE ARG 68 HE ARG 68 -24.140 11.082 6.676 523 HH11 ARG 68 HH11 ARG 68 -22.161 12.954 4.463 524 HH12 ARG 68 HH12 ARG 68 -22.934 12.330 3.047 525 HH21 ARG 68 HH21 ARG 68 -25.169 10.268 4.758 526 HH22 ARG 68 HH22 ARG 68 -24.622 10.818 3.212 527 H GLU 69 HN GLU 69 -25.126 15.691 8.533 528 HA GLU 69 HA GLU 69 -25.995 15.271 11.221 529 HB2 GLU 69 HB2 GLU 69 -28.249 15.196 10.214 530 HB3 GLU 69 HB1 GLU 69 -27.332 16.600 9.685 531 HG2 GLU 69 HG2 GLU 69 -26.760 15.351 7.610 532 HG3 GLU 69 HG1 GLU 69 -27.854 14.083 8.142 533 H HIS 70 HN HIS 70 -27.182 13.442 11.977 534 HA HIS 70 HA HIS 70 -26.425 10.968 10.578 535 HB2 HIS 70 HB2 HIS 70 -26.330 9.829 12.741 536 HB3 HIS 70 HB1 HIS 70 -25.272 11.233 12.755 537 HD2 HIS 70 HD2 HIS 70 -26.131 13.332 14.461 538 HE1 HIS 70 HE1 HIS 70 -29.097 11.023 16.413 539 HE2 HIS 70 HE2 HIS 70 -27.665 13.098 16.516 540 H GLY 71 HN GLY 71 -27.889 9.224 10.610 541 HA2 GLY 71 HA2 GLY 71 -30.640 10.091 10.471 542 HA3 GLY 71 HA1 GLY 71 -30.026 8.492 10.061 543 H ARG 72 HN ARG 72 -29.097 7.322 12.096 544 HA ARG 72 HA ARG 72 -30.335 7.915 14.572 545 HB2 ARG 72 HB2 ARG 72 -31.664 5.724 14.664 546 HB3 ARG 72 HB1 ARG 72 -32.364 7.083 13.801 547 HG2 ARG 72 HG2 ARG 72 -31.679 6.088 11.676 548 HG3 ARG 72 HG1 ARG 72 -30.956 4.729 12.544 549 HD2 ARG 72 HD2 ARG 72 -33.116 4.094 13.431 550 HD3 ARG 72 HD1 ARG 72 -33.867 5.513 12.706 551 HE ARG 72 HE ARG 72 -32.782 3.216 11.205 552 HH11 ARG 72 HH11 ARG 72 -35.002 5.936 11.487 553 HH12 ARG 72 HH12 ARG 72 -35.831 5.574 10.017 554 HH21 ARG 72 HH21 ARG 72 -33.890 2.761 9.217 555 HH22 ARG 72 HH22 ARG 72 -35.182 3.801 8.715 556 H THR 73 HN THR 73 -28.990 5.159 12.792 557 HA THR 73 HA THR 73 -27.401 4.673 15.203 558 HB THR 73 HB THR 73 -27.548 2.239 14.501 559 HG1 THR 73 HG1 THR 73 -29.694 1.911 13.374 560 HG21 THR 73 HG21 THR 73 -29.680 1.926 15.690 561 HG22 THR 73 HG22 THR 73 -30.046 3.638 15.472 562 HG23 THR 73 HG23 THR 73 -28.684 3.150 16.478 563 H TRP 74 HN TRP 74 -26.773 6.033 12.524 564 HA TRP 74 HA TRP 74 -24.349 4.489 12.015 565 HB2 TRP 74 HB2 TRP 74 -24.588 4.926 9.557 566 HB3 TRP 74 HB1 TRP 74 -25.747 3.780 10.218 567 HD1 TRP 74 HD1 TRP 74 -28.305 4.422 10.097 568 HE1 TRP 74 HE1 TRP 74 -29.606 6.274 8.875 569 HE3 TRP 74 HE3 TRP 74 -24.394 7.486 8.817 570 HZ2 TRP 74 HZ2 TRP 74 -29.062 8.700 7.551 571 HZ3 TRP 74 HZ3 TRP 74 -24.887 9.562 7.573 572 HH2 TRP 74 HH2 TRP 74 -27.169 10.147 6.957 573 H THR 75 HN THR 75 -22.578 5.633 11.362 574 HA THR 75 HA THR 75 -22.807 8.555 11.179 575 HB THR 75 HB THR 75 -20.828 7.058 12.920 576 HG1 THR 75 HG1 THR 75 -23.243 7.810 13.447 577 HG21 THR 75 HG21 THR 75 -21.111 10.044 12.506 578 HG22 THR 75 HG22 THR 75 -19.823 9.048 11.831 579 HG23 THR 75 HG23 THR 75 -19.969 9.228 13.579 580 H LYS 76 HN LYS 76 -21.530 9.437 9.625 581 HA LYS 76 HA LYS 76 -19.880 7.663 8.000 582 HB2 LYS 76 HB2 LYS 76 -21.446 9.221 6.868 583 HB3 LYS 76 HB1 LYS 76 -20.629 10.573 7.640 584 HG2 LYS 76 HG2 LYS 76 -18.570 9.999 6.446 585 HG3 LYS 76 HG1 LYS 76 -19.450 8.717 5.604 586 HD2 LYS 76 HD2 LYS 76 -20.986 10.379 4.681 587 HD3 LYS 76 HD1 LYS 76 -20.132 11.658 5.544 588 HE2 LYS 76 HE2 LYS 76 -18.109 11.109 4.311 589 HE3 LYS 76 HE1 LYS 76 -18.988 9.881 3.400 590 HZ1 LYS 76 HZ1 LYS 76 -18.836 11.895 2.126 591 HZ2 LYS 76 HZ2 LYS 76 -19.500 12.810 3.370 592 HZ3 LYS 76 HZ3 LYS 76 -20.453 11.669 2.560 593 H LEU 77 HN LEU 77 -17.754 7.542 8.356 594 HA LEU 77 HA LEU 77 -16.507 9.783 9.768 595 HB2 LEU 77 HB2 LEU 77 -15.580 6.927 9.496 596 HB3 LEU 77 HB1 LEU 77 -14.657 8.199 10.272 597 HG LEU 77 HG LEU 77 -17.292 7.056 11.192 598 HD11 LEU 77 HD11 LEU 77 -16.028 6.330 13.128 599 HD12 LEU 77 HD12 LEU 77 -14.557 7.027 12.450 600 HD13 LEU 77 HD13 LEU 77 -15.338 5.663 11.649 601 HD21 LEU 77 HD21 LEU 77 -17.091 8.564 13.089 602 HD22 LEU 77 HD22 LEU 77 -17.242 9.454 11.582 603 HD23 LEU 77 HD23 LEU 77 -15.667 9.305 12.365 604 H THR 78 HN THR 78 -15.713 11.162 8.426 605 HA THR 78 HA THR 78 -14.361 10.217 6.029 606 HB THR 78 HB THR 78 -15.221 13.035 6.825 607 HG1 THR 78 HG1 THR 78 -16.729 12.621 5.035 608 HG21 THR 78 HG21 THR 78 -14.144 11.969 4.206 609 HG22 THR 78 HG22 THR 78 -13.269 13.025 5.317 610 HG23 THR 78 HG23 THR 78 -14.714 13.611 4.493 611 H TYR 79 HN TYR 79 -12.399 9.552 6.745 612 HA TYR 79 HA TYR 79 -10.875 10.958 8.750 613 HB2 TYR 79 HB2 TYR 79 -10.032 8.741 6.872 614 HB3 TYR 79 HB1 TYR 79 -9.147 9.287 8.284 615 HD1 TYR 79 HD2 TYR 79 -10.176 8.917 10.559 616 HD2 TYR 79 HD1 TYR 79 -11.711 7.118 7.034 617 HE1 TYR 79 HE2 TYR 79 -11.328 7.236 11.932 618 HE2 TYR 79 HE1 TYR 79 -12.859 5.430 8.391 619 HH TYR 79 HH TYR 79 -12.775 4.439 10.537 620 H ALA 80 HN ALA 80 -10.960 10.846 5.271 621 HA ALA 80 HA ALA 80 -9.968 12.064 3.646 622 HB1 ALA 80 HB1 ALA 80 -8.813 13.773 5.852 623 HB2 ALA 80 HB2 ALA 80 -10.391 14.014 5.102 624 HB3 ALA 80 HB3 ALA 80 -8.922 14.194 4.142 625 H ASN 81 HN ASN 81 -8.498 9.965 5.475 626 HA ASN 81 HA ASN 81 -6.002 10.156 3.953 627 HB2 ASN 81 HB2 ASN 81 -4.634 9.502 5.841 628 HB3 ASN 81 HB1 ASN 81 -5.540 10.945 6.263 629 HD21 ASN 81 HD21 ASN 81 -7.194 10.813 7.776 630 HD22 ASN 81 HD22 ASN 81 -7.344 9.458 8.839 631 H HIS 82 HN HIS 82 -5.058 8.151 3.434 632 HA HIS 82 HA HIS 82 -7.012 6.072 3.150 633 HB2 HIS 82 HB2 HIS 82 -5.468 5.028 1.676 634 HB3 HIS 82 HB1 HIS 82 -5.343 6.754 1.389 635 HD2 HIS 82 HD2 HIS 82 -3.106 3.786 2.311 636 HE1 HIS 82 HE1 HIS 82 -0.763 7.283 2.823 637 HE2 HIS 82 HE2 HIS 82 -0.740 4.771 2.593 638 H SER 83 HN SER 83 -4.442 6.744 5.328 639 HA SER 83 HA SER 83 -3.618 4.185 6.061 640 HB2 SER 83 HB2 SER 83 -3.801 6.603 7.863 641 HB3 SER 83 HB1 SER 83 -2.699 5.235 8.027 642 HG SER 83 HG SER 83 -1.545 6.816 7.032 643 H SER 84 HN SER 84 -5.919 6.274 7.831 644 HA SER 84 HA SER 84 -6.751 4.107 9.487 645 HB2 SER 84 HB2 SER 84 -8.467 5.749 10.327 646 HB3 SER 84 HB1 SER 84 -6.789 6.272 10.469 647 HG SER 84 HG SER 84 -7.126 7.451 8.488 648 H TYR 85 HN TYR 85 -7.690 5.156 6.387 649 HA TYR 85 HA TYR 85 -10.399 4.429 6.321 650 HB2 TYR 85 HB2 TYR 85 -9.372 5.633 4.470 651 HB3 TYR 85 HB1 TYR 85 -8.302 4.276 4.141 652 HD1 TYR 85 HD1 TYR 85 -11.863 5.324 4.083 653 HD2 TYR 85 HD2 TYR 85 -8.978 2.529 2.693 654 HE1 TYR 85 HE1 TYR 85 -13.504 4.427 2.493 655 HE2 TYR 85 HE2 TYR 85 -10.609 1.621 1.105 656 HH TYR 85 HH TYR 85 -13.009 1.504 0.790 657 H LEU 86 HN LEU 86 -7.507 2.477 5.641 658 HA LEU 86 HA LEU 86 -8.910 0.083 5.111 659 HB2 LEU 86 HB2 LEU 86 -6.064 0.698 5.808 660 HB3 LEU 86 HB1 LEU 86 -6.611 -0.966 5.786 661 HG LEU 86 HG LEU 86 -7.355 -0.579 3.408 662 HD11 LEU 86 HD11 LEU 86 -6.470 1.270 2.180 663 HD12 LEU 86 HD12 LEU 86 -5.626 1.868 3.607 664 HD13 LEU 86 HD13 LEU 86 -7.387 1.889 3.552 665 HD21 LEU 86 HD21 LEU 86 -5.092 -0.810 2.493 666 HD22 LEU 86 HD22 LEU 86 -5.343 -1.814 3.923 667 HD23 LEU 86 HD23 LEU 86 -4.425 -0.312 4.050 668 H ARG 87 HN ARG 87 -7.634 1.482 8.026 669 HA ARG 87 HA ARG 87 -7.938 -0.761 9.718 670 HB2 ARG 87 HB2 ARG 87 -6.547 1.307 10.131 671 HB3 ARG 87 HB1 ARG 87 -8.036 2.144 10.531 672 HG2 ARG 87 HG2 ARG 87 -6.988 1.478 12.567 673 HG3 ARG 87 HG1 ARG 87 -8.420 0.471 12.333 674 HD2 ARG 87 HD2 ARG 87 -6.423 -0.798 13.104 675 HD3 ARG 87 HD1 ARG 87 -7.072 -1.368 11.568 676 HE ARG 87 HE ARG 87 -5.141 0.427 10.852 677 HH11 ARG 87 HH11 ARG 87 -5.158 -2.449 12.858 678 HH12 ARG 87 HH12 ARG 87 -3.518 -2.864 12.501 679 HH21 ARG 87 HH21 ARG 87 -2.992 -0.118 10.362 680 HH22 ARG 87 HH22 ARG 87 -2.279 -1.533 11.064 681 H ALA 88 HN ALA 88 -10.206 1.561 8.499 682 HA ALA 88 HA ALA 88 -12.162 1.224 10.584 683 HB1 ALA 88 HB1 ALA 88 -13.587 2.623 9.231 684 HB2 ALA 88 HB2 ALA 88 -12.501 2.448 7.854 685 HB3 ALA 88 HB3 ALA 88 -11.965 3.307 9.298 686 H LEU 89 HN LEU 89 -11.306 -0.610 7.867 687 HA LEU 89 HA LEU 89 -13.915 -1.591 7.225 688 HB2 LEU 89 HB2 LEU 89 -11.169 -2.189 6.293 689 HB3 LEU 89 HB1 LEU 89 -12.392 -3.417 6.039 690 HG LEU 89 HG LEU 89 -13.743 -1.835 4.742 691 HD11 LEU 89 HD11 LEU 89 -13.149 0.243 5.804 692 HD12 LEU 89 HD12 LEU 89 -12.812 0.337 4.080 693 HD13 LEU 89 HD13 LEU 89 -11.491 0.107 5.222 694 HD21 LEU 89 HD21 LEU 89 -12.057 -3.234 3.633 695 HD22 LEU 89 HD22 LEU 89 -10.891 -1.916 3.779 696 HD23 LEU 89 HD23 LEU 89 -12.337 -1.712 2.791 697 H ARG 90 HN ARG 90 -12.087 -2.167 9.859 698 HA ARG 90 HA ARG 90 -11.912 -4.831 10.366 699 HB2 ARG 90 HB2 ARG 90 -12.337 -4.338 12.753 700 HB3 ARG 90 HB1 ARG 90 -11.208 -3.211 12.019 701 HG2 ARG 90 HG2 ARG 90 -12.844 -1.479 11.955 702 HG3 ARG 90 HG1 ARG 90 -14.137 -2.611 12.351 703 HD2 ARG 90 HD2 ARG 90 -13.537 -1.265 14.284 704 HD3 ARG 90 HD1 ARG 90 -13.163 -2.963 14.552 705 HE ARG 90 HE ARG 90 -10.916 -2.457 14.586 706 HH11 ARG 90 HH11 ARG 90 -12.742 0.384 13.651 707 HH12 ARG 90 HH12 ARG 90 -11.440 1.479 13.951 708 HH21 ARG 90 HH21 ARG 90 -9.205 -1.027 15.006 709 HH22 ARG 90 HH22 ARG 90 -9.396 0.667 14.738 710 H GLU 91 HN GLU 91 -13.236 -6.468 10.232 711 HA GLU 91 HA GLU 91 -15.846 -6.499 11.427 712 HB2 GLU 91 HB2 GLU 91 -15.892 -5.571 8.872 713 HB3 GLU 91 HB1 GLU 91 -15.949 -7.300 8.558 714 HG2 GLU 91 HG2 GLU 91 -17.888 -5.754 10.278 715 HG3 GLU 91 HG1 GLU 91 -18.186 -6.314 8.634 716 H HIS 92 HN HIS 92 -14.776 -8.072 12.615 717 HA HIS 92 HA HIS 92 -14.729 -10.693 11.365 718 HB2 HIS 92 HB2 HIS 92 -12.413 -9.702 11.093 719 HB3 HIS 92 HB1 HIS 92 -12.290 -9.661 12.844 720 HD2 HIS 92 HD2 HIS 92 -13.054 -12.570 10.247 721 HE1 HIS 92 HE1 HIS 92 -10.445 -13.995 13.267 722 HE2 HIS 92 HE2 HIS 92 -11.566 -14.508 11.078 723 H GLY 93 HN GLY 93 -16.226 -9.154 13.428 724 HA2 GLY 93 HA2 GLY 93 -17.392 -10.078 15.262 725 HA3 GLY 93 HA1 GLY 93 -16.039 -11.169 15.536 726 H THR 94 HN THR 94 -15.894 -7.679 15.072 727 HA THR 94 HA THR 94 -14.321 -7.341 17.438 728 HB THR 94 HB THR 94 -15.598 -5.221 15.678 729 HG1 THR 94 HG1 THR 94 -13.081 -6.543 15.542 730 HG21 THR 94 HG21 THR 94 -13.178 -5.052 17.491 731 HG22 THR 94 HG22 THR 94 -14.777 -4.452 17.912 732 HG23 THR 94 HG23 THR 94 -13.897 -3.732 16.566 733 H ILE 95 HN ILE 95 -15.517 -7.886 19.203 734 HA ILE 95 HA ILE 95 -18.197 -6.893 19.563 735 HB ILE 95 HB ILE 95 -16.412 -8.543 21.366 736 HG12 ILE 95 HG12 ILE 95 -18.918 -9.313 19.859 737 HG13 ILE 95 HG11 ILE 95 -17.283 -9.611 19.274 738 HG21 ILE 95 HG21 ILE 95 -19.279 -7.703 21.782 739 HG22 ILE 95 HG22 ILE 95 -17.890 -7.248 22.768 740 HG23 ILE 95 HG23 ILE 95 -18.437 -8.922 22.736 741 HD11 ILE 95 HD11 ILE 95 -16.846 -11.059 21.171 742 HD12 ILE 95 HD12 ILE 95 -18.281 -11.598 20.298 743 HD13 ILE 95 HD13 ILE 95 -18.449 -10.722 21.819 744 H TYR 96 HN TYR 96 -18.671 -5.038 20.368 745 HA TYR 96 HA TYR 96 -16.930 -3.855 22.393 746 HB2 TYR 96 HB2 TYR 96 -16.725 -2.885 19.955 747 HB3 TYR 96 HB1 TYR 96 -18.270 -2.130 20.335 748 HD1 TYR 96 HD2 TYR 96 -18.413 -0.508 22.200 749 HD2 TYR 96 HD1 TYR 96 -14.705 -2.108 20.893 750 HE1 TYR 96 HE2 TYR 96 -17.242 1.281 23.380 751 HE2 TYR 96 HE1 TYR 96 -13.507 -0.323 22.075 752 HH TYR 96 HH TYR 96 -14.031 2.033 22.864 753 H CYS 97 HN CYS 97 -18.071 -3.228 24.124 754 HA CYS 97 HA CYS 97 -19.794 -2.801 25.529 755 HB2 CYS 97 HB2 CYS 97 -21.187 -1.916 22.989 756 HB3 CYS 97 HB1 CYS 97 -21.823 -1.657 24.612 757 HG CYS 97 HG CYS 97 -19.559 -0.056 25.351 758 H GLY 98 HN GLY 98 -19.576 -5.362 23.797 759 HA2 GLY 98 HA2 GLY 98 -20.620 -7.386 24.558 760 HA3 GLY 98 HA1 GLY 98 -22.116 -6.490 24.758 761 H ALA 99 HN ALA 99 -21.328 -5.279 21.941 762 HA ALA 99 HA ALA 99 -22.340 -7.600 20.426 763 HB1 ALA 99 HB1 ALA 99 -24.117 -5.955 20.791 764 HB2 ALA 99 HB2 ALA 99 -23.699 -6.104 19.083 765 HB3 ALA 99 HB3 ALA 99 -23.124 -4.720 20.017 766 H ALA 100 HN ALA 100 -21.697 -7.758 18.220 767 HA ALA 100 HA ALA 100 -19.067 -6.654 17.744 768 HB1 ALA 100 HB1 ALA 100 -20.750 -8.483 16.026 769 HB2 ALA 100 HB2 ALA 100 -19.476 -8.982 17.140 770 HB3 ALA 100 HB3 ALA 100 -19.074 -8.036 15.705 771 H ILE 101 HN ILE 101 -18.905 -4.653 17.047 772 HA ILE 101 HA ILE 101 -20.955 -3.506 15.356 773 HB ILE 101 HB ILE 101 -19.651 -1.417 15.479 774 HG12 ILE 101 HG12 ILE 101 -17.759 -2.922 17.305 775 HG13 ILE 101 HG11 ILE 101 -17.395 -2.512 15.634 776 HG21 ILE 101 HG21 ILE 101 -21.313 -1.857 17.181 777 HG22 ILE 101 HG22 ILE 101 -19.944 -0.995 17.884 778 HG23 ILE 101 HG23 ILE 101 -20.123 -2.727 18.151 779 HD11 ILE 101 HD11 ILE 101 -16.383 -0.960 17.269 780 HD12 ILE 101 HD12 ILE 101 -18.006 -0.494 17.792 781 HD13 ILE 101 HD13 ILE 101 -17.478 -0.164 16.142 782 H GLY 102 HN GLY 102 -20.258 -2.281 13.363 783 HA2 GLY 102 HA2 GLY 102 -17.937 -3.439 12.044 784 HA3 GLY 102 HA1 GLY 102 -19.502 -3.808 11.340 785 H CYS 103 HN CYS 103 -17.387 -2.416 10.081 786 HA CYS 103 HA CYS 103 -18.810 0.029 9.417 787 HB2 CYS 103 HB2 CYS 103 -17.068 0.656 11.060 788 HB3 CYS 103 HB1 CYS 103 -15.845 -0.058 10.020 789 HG CYS 103 HG CYS 103 -17.787 2.297 8.622 790 H VAL 104 HN VAL 104 -18.754 0.484 7.275 791 HA VAL 104 HA VAL 104 -17.011 -1.166 5.570 792 HB VAL 104 HB VAL 104 -18.852 -1.441 3.954 793 HG11 VAL 104 HG11 VAL 104 -19.572 -2.384 6.721 794 HG12 VAL 104 HG12 VAL 104 -18.510 -3.207 5.580 795 HG13 VAL 104 HG13 VAL 104 -20.227 -3.031 5.218 796 HG21 VAL 104 HG21 VAL 104 -21.139 -0.832 4.510 797 HG22 VAL 104 HG22 VAL 104 -20.107 0.597 4.530 798 HG23 VAL 104 HG23 VAL 104 -20.604 -0.152 6.045 799 HA PRO 105 HA PRO 105 -16.075 2.498 3.203 800 HB2 PRO 105 HB2 PRO 105 -16.979 1.159 0.716 801 HB3 PRO 105 HB1 PRO 105 -15.396 1.833 1.112 802 HG2 PRO 105 HG2 PRO 105 -15.787 -0.805 1.022 803 HG3 PRO 105 HG1 PRO 105 -14.715 -0.077 2.232 804 HD2 PRO 105 HD2 PRO 105 -17.506 -1.102 2.535 805 HD3 PRO 105 HD1 PRO 105 -16.127 -1.245 3.643 806 H TYR 106 HN TYR 106 -17.067 4.290 2.248 807 HA TYR 106 HA TYR 106 -19.775 4.607 2.876 808 HB2 TYR 106 HB2 TYR 106 -18.132 6.456 2.837 809 HB3 TYR 106 HB1 TYR 106 -18.088 6.359 1.080 810 HD1 TYR 106 HD1 TYR 106 -20.300 7.065 3.956 811 HD2 TYR 106 HD2 TYR 106 -19.699 7.503 -0.232 812 HE1 TYR 106 HE1 TYR 106 -22.182 8.634 3.857 813 HE2 TYR 106 HE2 TYR 106 -21.590 9.074 -0.342 814 HH TYR 106 HH TYR 106 -23.541 9.711 0.877 815 H LYS 107 HN LYS 107 -21.547 4.177 1.855 816 HA LYS 107 HA LYS 107 -21.558 3.880 -1.073 817 HB2 LYS 107 HB2 LYS 107 -22.991 2.221 1.013 818 HB3 LYS 107 HB1 LYS 107 -23.362 2.153 -0.696 819 HG2 LYS 107 HG2 LYS 107 -21.143 1.307 -1.170 820 HG3 LYS 107 HG1 LYS 107 -20.704 1.453 0.536 821 HD2 LYS 107 HD2 LYS 107 -22.458 -0.148 1.126 822 HD3 LYS 107 HD1 LYS 107 -22.897 -0.296 -0.574 823 HE2 LYS 107 HE2 LYS 107 -20.160 -0.946 0.516 824 HE3 LYS 107 HE1 LYS 107 -21.442 -2.141 0.317 825 HZ1 LYS 107 HZ1 LYS 107 -19.880 -2.086 -1.547 826 HZ2 LYS 107 HZ2 LYS 107 -20.319 -0.487 -1.873 827 HZ3 LYS 107 HZ3 LYS 107 -21.461 -1.725 -2.028 828 H HIS 108 HN HIS 108 -22.989 5.266 -2.003 829 HA HIS 108 HA HIS 108 -24.588 6.988 -0.443 830 HB2 HIS 108 HB2 HIS 108 -25.313 7.985 -2.473 831 HB3 HIS 108 HB1 HIS 108 -23.667 7.472 -2.780 832 HD2 HIS 108 HD2 HIS 108 -23.381 5.798 -4.969 833 HE1 HIS 108 HE1 HIS 108 -27.514 5.228 -5.750 834 HE2 HIS 108 HE2 HIS 108 -25.173 4.677 -6.470 835 H GLU 109 HN GLU 109 -25.228 4.015 -2.140 836 HA GLU 109 HA GLU 109 -28.050 4.075 -1.895 837 HB2 GLU 109 HB2 GLU 109 -26.922 2.723 -3.571 838 HB3 GLU 109 HB1 GLU 109 -26.152 1.769 -2.313 839 HG2 GLU 109 HG2 GLU 109 -28.260 0.848 -1.642 840 HG3 GLU 109 HG1 GLU 109 -29.119 1.921 -2.745 841 H LEU 110 HN LEU 110 -25.458 2.860 0.136 842 HA LEU 110 HA LEU 110 -27.044 1.356 1.905 843 HB2 LEU 110 HB2 LEU 110 -24.613 1.136 1.814 844 HB3 LEU 110 HB1 LEU 110 -24.433 2.774 2.411 845 HG LEU 110 HG LEU 110 -25.475 2.098 4.542 846 HD11 LEU 110 HD11 LEU 110 -26.838 0.255 3.755 847 HD12 LEU 110 HD12 LEU 110 -25.764 -0.280 5.043 848 HD13 LEU 110 HD13 LEU 110 -25.392 -0.676 3.366 849 HD21 LEU 110 HD21 LEU 110 -23.579 0.784 5.367 850 HD22 LEU 110 HD22 LEU 110 -23.056 2.106 4.323 851 HD23 LEU 110 HD23 LEU 110 -23.090 0.456 3.703 852 H ILE 111 HN ILE 111 -26.048 4.747 1.927 853 HA ILE 111 HA ILE 111 -27.061 5.407 4.454 854 HB ILE 111 HB ILE 111 -26.814 7.211 2.045 855 HG12 ILE 111 HG12 ILE 111 -24.691 6.108 2.578 856 HG13 ILE 111 HG11 ILE 111 -24.618 7.825 2.966 857 HG21 ILE 111 HG21 ILE 111 -26.643 9.035 3.696 858 HG22 ILE 111 HG22 ILE 111 -27.000 7.881 4.979 859 HG23 ILE 111 HG23 ILE 111 -28.207 8.220 3.740 860 HD11 ILE 111 HD11 ILE 111 -23.535 6.513 4.683 861 HD12 ILE 111 HD12 ILE 111 -25.001 5.563 4.920 862 HD13 ILE 111 HD13 ILE 111 -24.985 7.278 5.335 863 H SER 112 HN SER 112 -28.586 5.636 1.236 864 HA SER 112 HA SER 112 -31.004 6.687 2.198 865 HB2 SER 112 HB2 SER 112 -31.911 5.757 -0.027 866 HB3 SER 112 HB1 SER 112 -30.626 6.961 -0.113 867 HG SER 112 HG SER 112 -30.606 4.273 -0.790 868 H GLU 113 HN GLU 113 -29.985 3.319 1.621 869 HA GLU 113 HA GLU 113 -32.501 2.219 2.278 870 HB2 GLU 113 HB2 GLU 113 -29.748 1.007 2.289 871 HB3 GLU 113 HB1 GLU 113 -31.197 0.089 2.685 872 HG2 GLU 113 HG2 GLU 113 -30.659 1.510 0.089 873 HG3 GLU 113 HG1 GLU 113 -30.542 -0.227 0.369 874 H LEU 114 HN LEU 114 -29.664 2.943 4.285 875 HA LEU 114 HA LEU 114 -30.617 1.762 6.642 876 HB2 LEU 114 HB2 LEU 114 -28.790 4.093 6.218 877 HB3 LEU 114 HB1 LEU 114 -29.126 3.410 7.791 878 HG LEU 114 HG LEU 114 -27.855 1.916 5.507 879 HD11 LEU 114 HD11 LEU 114 -25.833 2.041 6.883 880 HD12 LEU 114 HD12 LEU 114 -26.692 3.113 7.994 881 HD13 LEU 114 HD13 LEU 114 -26.386 3.625 6.335 882 HD21 LEU 114 HD21 LEU 114 -27.373 0.229 7.226 883 HD22 LEU 114 HD22 LEU 114 -29.102 0.444 6.967 884 HD23 LEU 114 HD23 LEU 114 -28.328 1.156 8.383 885 H SER 115 HN SER 115 -31.009 5.007 5.320 886 HA SER 115 HA SER 115 -32.454 6.084 7.487 887 HB2 SER 115 HB2 SER 115 -32.574 6.885 4.564 888 HB3 SER 115 HB1 SER 115 -33.061 7.878 5.941 889 HG SER 115 HG SER 115 -30.466 7.022 5.197 890 H ARG 116 HN ARG 116 -33.473 4.471 4.508 891 HA ARG 116 HA ARG 116 -36.269 4.811 4.850 892 HB2 ARG 116 HB2 ARG 116 -34.650 2.810 3.263 893 HB3 ARG 116 HB1 ARG 116 -36.405 2.927 3.179 894 HG2 ARG 116 HG2 ARG 116 -36.261 5.168 2.317 895 HG3 ARG 116 HG1 ARG 116 -34.509 5.174 2.524 896 HD2 ARG 116 HD2 ARG 116 -34.353 3.301 0.917 897 HD3 ARG 116 HD1 ARG 116 -36.097 3.401 0.673 898 HE ARG 116 HE ARG 116 -35.178 5.925 0.175 899 HH11 ARG 116 HH11 ARG 116 -34.429 2.735 -1.116 900 HH12 ARG 116 HH12 ARG 116 -34.037 3.327 -2.691 901 HH21 ARG 116 HH21 ARG 116 -34.634 6.710 -1.885 902 HH22 ARG 116 HH22 ARG 116 -34.151 5.625 -3.138 903 H GLU 117 HN GLU 117 -34.048 2.177 5.701 904 HA GLU 117 HA GLU 117 -35.746 1.275 7.805 905 HB2 GLU 117 HB2 GLU 117 -36.870 0.296 5.794 906 HB3 GLU 117 HB1 GLU 117 -35.380 -0.562 5.444 907 HG2 GLU 117 HG2 GLU 117 -35.582 -1.833 7.470 908 HG3 GLU 117 HG1 GLU 117 -37.003 -0.902 7.947 909 H GLY 118 HN GLY 118 -33.504 -0.289 5.685 910 HA2 GLY 118 HA2 GLY 118 -31.203 -0.690 6.015 911 HA3 GLY 118 HA1 GLY 118 -31.369 -0.096 7.655 912 H HIS 119 HN HIS 119 -33.811 -2.185 7.512 913 HA HIS 119 HA HIS 119 -32.180 -4.238 8.764 914 HB2 HIS 119 HB2 HIS 119 -35.170 -3.828 8.714 915 HB3 HIS 119 HB1 HIS 119 -34.398 -5.235 9.438 916 HD2 HIS 119 HD2 HIS 119 -35.083 -1.502 10.236 917 HE1 HIS 119 HE1 HIS 119 -32.912 -3.154 13.486 918 HE2 HIS 119 HE2 HIS 119 -34.388 -1.272 12.718 919 H HIS 120 HN HIS 120 -31.312 -4.680 6.568 920 HA HIS 120 HA HIS 120 -32.816 -6.939 5.465 921 HB2 HIS 120 HB2 HIS 120 -31.599 -4.689 3.872 922 HB3 HIS 120 HB1 HIS 120 -31.893 -6.269 3.159 923 HD2 HIS 120 HD2 HIS 120 -33.925 -3.209 4.496 924 HE1 HIS 120 HE1 HIS 120 -36.560 -5.789 2.409 925 HE2 HIS 120 HE2 HIS 120 -36.360 -3.777 3.918 926 H HIS 121 HN HIS 121 -31.665 -8.692 5.692 927 HA HIS 121 HA HIS 121 -28.740 -8.475 5.700 928 HB2 HIS 121 HB2 HIS 121 -30.535 -10.671 6.757 929 HB3 HIS 121 HB1 HIS 121 -28.779 -10.720 6.767 930 HD2 HIS 121 HD2 HIS 121 -31.700 -9.037 8.704 931 HE1 HIS 121 HE1 HIS 121 -28.071 -8.071 10.668 932 HE2 HIS 121 HE2 HIS 121 -30.575 -7.831 10.687 933 H HIS 122 HN HIS 122 -31.353 -10.579 4.551 934 HA HIS 122 HA HIS 122 -31.655 -11.804 2.682 935 HB2 HIS 122 HB2 HIS 122 -31.162 -9.772 1.438 936 HB3 HIS 122 HB1 HIS 122 -29.434 -10.090 1.551 937 HD2 HIS 122 HD2 HIS 122 -32.562 -11.758 -0.198 938 HE1 HIS 122 HE1 HIS 122 -29.051 -12.691 -2.385 939 HE2 HIS 122 HE2 HIS 122 -31.563 -12.625 -2.413 940 H HIS 123 HN HIS 123 -28.139 -11.375 2.890 941 HA HIS 123 HA HIS 123 -27.823 -14.228 3.293 942 HB2 HIS 123 HB2 HIS 123 -27.831 -13.982 0.836 943 HB3 HIS 123 HB1 HIS 123 -26.526 -12.811 0.949 944 HD2 HIS 123 HD2 HIS 123 -26.831 -16.542 2.295 945 HE1 HIS 123 HE1 HIS 123 -23.090 -15.997 0.385 946 HE2 HIS 123 HE2 HIS 123 -24.479 -17.499 1.839 947 H HIS 124 HN HIS 124 -26.416 -10.995 3.108 948 HA HIS 124 HA HIS 124 -23.938 -11.777 4.248 949 HB2 HIS 124 HB2 HIS 124 -23.532 -9.326 4.581 950 HB3 HIS 124 HB1 HIS 124 -23.935 -9.763 2.930 951 HD2 HIS 124 HD2 HIS 124 -25.630 -7.898 5.974 952 HE1 HIS 124 HE1 HIS 124 -27.596 -6.789 2.382 953 HE2 HIS 124 HE2 HIS 124 -27.597 -6.619 4.886 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -14.583 9.037 -20.013 2 H2 MET 1 HT2 MET 1 -16.154 8.450 -20.191 3 H3 MET 1 HT3 MET 1 -15.095 8.456 -21.513 4 HA MET 1 HA MET 1 -15.342 6.248 -20.576 5 HB2 MET 1 HB2 MET 1 -13.239 6.916 -21.689 6 HB3 MET 1 HB1 MET 1 -12.618 7.502 -20.158 7 HG2 MET 1 HG2 MET 1 -12.676 5.231 -19.261 8 HG3 MET 1 HG1 MET 1 -13.310 4.643 -20.796 9 HE1 MET 1 HE1 MET 1 -10.500 7.369 -20.102 10 HE2 MET 1 HE2 MET 1 -9.066 6.341 -20.156 11 HE3 MET 1 HE3 MET 1 -10.260 6.119 -18.875 12 H SER 2 HN SER 2 -15.912 5.174 -18.789 13 HA SER 2 HA SER 2 -14.759 6.035 -16.237 14 HB2 SER 2 HB2 SER 2 -17.673 5.356 -16.688 15 HB3 SER 2 HB1 SER 2 -16.929 5.650 -15.119 16 HG SER 2 HG SER 2 -16.332 7.753 -15.974 17 H LEU 3 HN LEU 3 -13.848 4.430 -15.155 18 HA LEU 3 HA LEU 3 -14.618 1.700 -15.892 19 HB2 LEU 3 HB2 LEU 3 -12.349 1.038 -14.899 20 HB3 LEU 3 HB1 LEU 3 -12.357 1.815 -16.455 21 HG LEU 3 HG LEU 3 -10.486 2.500 -14.962 22 HD11 LEU 3 HD11 LEU 3 -10.625 4.898 -15.369 23 HD12 LEU 3 HD12 LEU 3 -12.327 4.728 -15.789 24 HD13 LEU 3 HD13 LEU 3 -11.091 3.937 -16.769 25 HD21 LEU 3 HD21 LEU 3 -11.647 2.473 -12.823 26 HD22 LEU 3 HD22 LEU 3 -12.631 3.844 -13.322 27 HD23 LEU 3 HD23 LEU 3 -10.893 4.037 -13.111 28 H GLY 4 HN GLY 4 -15.160 3.890 -13.589 29 HA2 GLY 4 HA2 GLY 4 -16.493 2.261 -11.826 30 HA3 GLY 4 HA1 GLY 4 -14.853 2.340 -11.209 31 H SER 5 HN SER 5 -17.509 3.424 -10.244 32 HA SER 5 HA SER 5 -17.113 6.290 -10.366 33 HB2 SER 5 HB2 SER 5 -19.158 6.295 -8.868 34 HB3 SER 5 HB1 SER 5 -19.391 5.577 -10.462 35 HG SER 5 HG SER 5 -20.014 3.855 -9.442 36 H GLU 6 HN GLU 6 -17.126 7.583 -8.335 37 HA GLU 6 HA GLU 6 -15.233 6.488 -6.453 38 HB2 GLU 6 HB2 GLU 6 -14.992 8.809 -7.276 39 HB3 GLU 6 HB1 GLU 6 -16.534 9.215 -6.537 40 HG2 GLU 6 HG2 GLU 6 -15.597 8.712 -4.333 41 HG3 GLU 6 HG1 GLU 6 -14.042 8.345 -5.082 42 H SER 7 HN SER 7 -18.519 6.881 -6.771 43 HA SER 7 HA SER 7 -20.361 6.478 -5.492 44 HB2 SER 7 HB2 SER 7 -19.309 4.253 -5.292 45 HB3 SER 7 HB1 SER 7 -18.394 4.807 -3.893 46 HG SER 7 HG SER 7 -20.643 5.332 -3.064 47 H GLU 8 HN GLU 8 -18.446 8.711 -4.722 48 HA GLU 8 HA GLU 8 -18.151 10.300 -3.189 49 HB2 GLU 8 HB2 GLU 8 -20.708 10.176 -3.458 50 HB3 GLU 8 HB1 GLU 8 -20.703 9.366 -1.895 51 HG2 GLU 8 HG2 GLU 8 -19.527 11.301 -0.954 52 HG3 GLU 8 HG1 GLU 8 -19.671 12.089 -2.527 53 H THR 9 HN THR 9 -17.353 7.413 -2.612 54 HA THR 9 HA THR 9 -17.484 7.075 0.214 55 HB THR 9 HB THR 9 -15.559 5.755 -1.701 56 HG1 THR 9 HG1 THR 9 -18.180 4.889 -0.967 57 HG21 THR 9 HG21 THR 9 -16.735 4.833 0.931 58 HG22 THR 9 HG22 THR 9 -15.088 5.421 0.695 59 HG23 THR 9 HG23 THR 9 -15.609 3.923 -0.078 60 H GLY 10 HN GLY 10 -14.859 7.907 -2.015 61 HA2 GLY 10 HA2 GLY 10 -12.802 8.843 -1.666 62 HA3 GLY 10 HA1 GLY 10 -13.665 9.909 -0.564 63 H ASN 11 HN ASN 11 -13.030 9.895 1.448 64 HA ASN 11 HA ASN 11 -11.465 7.620 2.469 65 HB2 ASN 11 HB2 ASN 11 -11.183 10.576 3.052 66 HB3 ASN 11 HB1 ASN 11 -10.336 9.312 3.940 67 HD21 ASN 11 HD21 ASN 11 -9.444 11.533 2.121 68 HD22 ASN 11 HD22 ASN 11 -8.419 10.751 0.964 69 H ALA 12 HN ALA 12 -14.416 8.230 2.600 70 HA ALA 12 HA ALA 12 -14.706 8.455 5.524 71 HB1 ALA 12 HB1 ALA 12 -16.796 8.882 3.388 72 HB2 ALA 12 HB2 ALA 12 -15.922 10.159 4.239 73 HB3 ALA 12 HB3 ALA 12 -17.019 9.096 5.122 74 H VAL 13 HN VAL 13 -15.853 6.952 6.661 75 HA VAL 13 HA VAL 13 -16.773 4.576 5.190 76 HB VAL 13 HB VAL 13 -16.064 3.170 7.103 77 HG11 VAL 13 HG11 VAL 13 -13.671 3.142 6.626 78 HG12 VAL 13 HG12 VAL 13 -13.790 4.735 5.877 79 HG13 VAL 13 HG13 VAL 13 -14.612 3.351 5.148 80 HG21 VAL 13 HG21 VAL 13 -14.499 4.068 8.772 81 HG22 VAL 13 HG22 VAL 13 -16.066 4.866 8.853 82 HG23 VAL 13 HG23 VAL 13 -14.704 5.677 8.084 83 H VAL 14 HN VAL 14 -18.377 3.309 6.390 84 HA VAL 14 HA VAL 14 -20.058 5.085 8.018 85 HB VAL 14 HB VAL 14 -20.895 2.727 6.310 86 HG11 VAL 14 HG11 VAL 14 -22.399 3.006 8.168 87 HG12 VAL 14 HG12 VAL 14 -23.191 3.571 6.697 88 HG13 VAL 14 HG13 VAL 14 -22.534 4.733 7.850 89 HG21 VAL 14 HG21 VAL 14 -21.248 5.682 5.788 90 HG22 VAL 14 HG22 VAL 14 -21.874 4.366 4.792 91 HG23 VAL 14 HG23 VAL 14 -20.135 4.602 4.945 92 H VAL 15 HN VAL 15 -20.300 4.508 10.079 93 HA VAL 15 HA VAL 15 -19.830 1.694 10.818 94 HB VAL 15 HB VAL 15 -19.427 4.135 12.581 95 HG11 VAL 15 HG11 VAL 15 -18.422 2.647 14.166 96 HG12 VAL 15 HG12 VAL 15 -18.548 1.295 13.048 97 HG13 VAL 15 HG13 VAL 15 -20.006 2.000 13.735 98 HG21 VAL 15 HG21 VAL 15 -17.764 4.131 10.811 99 HG22 VAL 15 HG22 VAL 15 -17.354 2.457 11.172 100 HG23 VAL 15 HG23 VAL 15 -17.020 3.718 12.352 101 H PHE 16 HN PHE 16 -21.516 0.697 11.829 102 HA PHE 16 HA PHE 16 -23.632 2.355 12.953 103 HB2 PHE 16 HB2 PHE 16 -25.384 1.144 11.688 104 HB3 PHE 16 HB1 PHE 16 -24.325 2.091 10.655 105 HD1 PHE 16 HD1 PHE 16 -25.327 -1.300 11.639 106 HD2 PHE 16 HD2 PHE 16 -22.851 1.024 9.068 107 HE1 PHE 16 HE1 PHE 16 -24.902 -3.281 10.253 108 HE2 PHE 16 HE2 PHE 16 -22.425 -0.955 7.682 109 HZ PHE 16 HZ PHE 16 -23.444 -3.108 8.267 110 H GLY 17 HN GLY 17 -25.119 1.261 14.301 111 HA2 GLY 17 HA2 GLY 17 -25.861 -0.910 15.215 112 HA3 GLY 17 HA1 GLY 17 -24.173 -1.390 15.201 113 H TYR 18 HN TYR 18 -24.904 1.856 16.184 114 HA TYR 18 HA TYR 18 -24.857 1.098 18.995 115 HB2 TYR 18 HB2 TYR 18 -23.005 2.585 19.508 116 HB3 TYR 18 HB1 TYR 18 -22.510 1.262 18.459 117 HD1 TYR 18 HD2 TYR 18 -22.102 1.741 16.019 118 HD2 TYR 18 HD1 TYR 18 -22.741 4.824 18.874 119 HE1 TYR 18 HE2 TYR 18 -21.103 3.369 14.488 120 HE2 TYR 18 HE1 TYR 18 -21.735 6.450 17.342 121 HH TYR 18 HH TYR 18 -20.214 6.504 15.482 122 H ARG 19 HN ARG 19 -25.053 3.006 20.430 123 HA ARG 19 HA ARG 19 -27.109 4.754 19.300 124 HB2 ARG 19 HB2 ARG 19 -27.929 3.169 20.933 125 HB3 ARG 19 HB1 ARG 19 -26.704 3.661 22.081 126 HG2 ARG 19 HG2 ARG 19 -27.761 5.744 22.451 127 HG3 ARG 19 HG1 ARG 19 -28.858 5.497 21.087 128 HD2 ARG 19 HD2 ARG 19 -29.894 5.065 23.326 129 HD3 ARG 19 HD1 ARG 19 -29.973 3.704 22.207 130 HE ARG 19 HE ARG 19 -27.671 3.494 23.838 131 HH11 ARG 19 HH11 ARG 19 -31.156 3.119 23.957 132 HH12 ARG 19 HH12 ARG 19 -31.122 1.947 25.232 133 HH21 ARG 19 HH21 ARG 19 -27.627 1.933 25.541 134 HH22 ARG 19 HH22 ARG 19 -29.115 1.283 26.140 135 H GLU 20 HN GLU 20 -27.263 6.930 20.036 136 HA GLU 20 HA GLU 20 -24.940 8.422 19.822 137 HB2 GLU 20 HB2 GLU 20 -27.308 9.172 19.424 138 HB3 GLU 20 HB1 GLU 20 -27.484 9.332 21.165 139 HG2 GLU 20 HG2 GLU 20 -27.062 11.493 20.457 140 HG3 GLU 20 HG1 GLU 20 -25.486 10.934 21.022 141 H ALA 21 HN ALA 21 -26.459 7.235 22.774 142 HA ALA 21 HA ALA 21 -25.070 9.030 24.520 143 HB1 ALA 21 HB1 ALA 21 -26.524 6.502 25.236 144 HB2 ALA 21 HB2 ALA 21 -27.257 8.095 25.083 145 HB3 ALA 21 HB3 ALA 21 -26.054 7.797 26.333 146 H ILE 22 HN ILE 22 -23.924 6.228 22.966 147 HA ILE 22 HA ILE 22 -22.330 5.339 25.242 148 HB ILE 22 HB ILE 22 -21.477 3.560 23.824 149 HG12 ILE 22 HG12 ILE 22 -23.290 4.250 21.572 150 HG13 ILE 22 HG11 ILE 22 -21.794 5.179 21.693 151 HG21 ILE 22 HG21 ILE 22 -23.580 2.374 23.444 152 HG22 ILE 22 HG22 ILE 22 -24.462 3.890 23.614 153 HG23 ILE 22 HG23 ILE 22 -23.578 3.225 24.989 154 HD11 ILE 22 HD11 ILE 22 -22.133 2.218 21.390 155 HD12 ILE 22 HD12 ILE 22 -20.599 2.999 21.787 156 HD13 ILE 22 HD13 ILE 22 -21.401 3.367 20.260 157 H THR 23 HN THR 23 -21.812 7.985 23.926 158 HA THR 23 HA THR 23 -19.470 7.947 22.422 159 HB THR 23 HB THR 23 -20.171 10.092 24.420 160 HG1 THR 23 HG1 THR 23 -21.903 10.370 23.262 161 HG21 THR 23 HG21 THR 23 -19.109 11.551 22.748 162 HG22 THR 23 HG22 THR 23 -18.754 10.138 21.753 163 HG23 THR 23 HG23 THR 23 -17.993 10.314 23.334 164 H LYS 24 HN LYS 24 -19.902 8.097 25.921 165 HA LYS 24 HA LYS 24 -17.217 8.512 26.577 166 HB2 LYS 24 HB2 LYS 24 -19.509 7.345 28.137 167 HB3 LYS 24 HB1 LYS 24 -17.906 7.491 28.829 168 HG2 LYS 24 HG2 LYS 24 -19.152 9.374 29.555 169 HG3 LYS 24 HG1 LYS 24 -18.017 9.952 28.342 170 HD2 LYS 24 HD2 LYS 24 -20.114 11.011 27.927 171 HD3 LYS 24 HD1 LYS 24 -19.882 9.814 26.662 172 HE2 LYS 24 HE2 LYS 24 -21.397 8.292 27.729 173 HE3 LYS 24 HE1 LYS 24 -21.501 9.328 29.149 174 HZ1 LYS 24 HZ1 LYS 24 -22.413 10.163 26.434 175 HZ2 LYS 24 HZ2 LYS 24 -22.671 10.967 27.894 176 HZ3 LYS 24 HZ3 LYS 24 -23.426 9.490 27.608 177 H GLN 25 HN GLN 25 -18.851 5.695 25.495 178 HA GLN 25 HA GLN 25 -16.834 3.882 26.545 179 HB2 GLN 25 HB2 GLN 25 -19.365 3.373 24.984 180 HB3 GLN 25 HB1 GLN 25 -18.283 2.120 25.586 181 HG2 GLN 25 HG2 GLN 25 -18.707 2.787 27.858 182 HG3 GLN 25 HG1 GLN 25 -19.716 4.118 27.306 183 HE21 GLN 25 HE21 GLN 25 -21.550 3.464 28.277 184 HE22 GLN 25 HE22 GLN 25 -22.427 2.040 27.842 185 H ILE 26 HN ILE 26 -18.355 4.255 23.317 186 HA ILE 26 HA ILE 26 -16.260 2.887 22.019 187 HB ILE 26 HB ILE 26 -18.600 4.450 20.997 188 HG12 ILE 26 HG12 ILE 26 -18.831 2.101 21.729 189 HG13 ILE 26 HG11 ILE 26 -19.230 2.331 20.028 190 HG21 ILE 26 HG21 ILE 26 -17.965 4.036 18.678 191 HG22 ILE 26 HG22 ILE 26 -16.398 3.429 19.219 192 HG23 ILE 26 HG23 ILE 26 -16.832 5.116 19.490 193 HD11 ILE 26 HD11 ILE 26 -16.999 1.470 19.426 194 HD12 ILE 26 HD12 ILE 26 -17.970 0.301 20.323 195 HD13 ILE 26 HD13 ILE 26 -16.677 1.181 21.140 196 H LEU 27 HN LEU 27 -16.851 6.368 22.357 197 HA LEU 27 HA LEU 27 -14.852 7.178 20.562 198 HB2 LEU 27 HB2 LEU 27 -16.578 8.709 21.300 199 HB3 LEU 27 HB1 LEU 27 -16.015 8.616 22.950 200 HG LEU 27 HG LEU 27 -14.071 9.652 20.941 201 HD11 LEU 27 HD11 LEU 27 -16.096 10.778 20.234 202 HD12 LEU 27 HD12 LEU 27 -15.066 11.906 21.121 203 HD13 LEU 27 HD13 LEU 27 -16.478 11.191 21.904 204 HD21 LEU 27 HD21 LEU 27 -13.502 11.123 22.804 205 HD22 LEU 27 HD22 LEU 27 -13.513 9.440 23.325 206 HD23 LEU 27 HD23 LEU 27 -14.864 10.498 23.736 207 H ALA 28 HN ALA 28 -14.604 6.116 23.879 208 HA ALA 28 HA ALA 28 -12.054 7.142 24.469 209 HB1 ALA 28 HB1 ALA 28 -13.310 4.582 25.460 210 HB2 ALA 28 HB2 ALA 28 -13.540 6.188 26.159 211 HB3 ALA 28 HB3 ALA 28 -11.950 5.432 26.196 212 H TYR 29 HN TYR 29 -13.022 4.102 22.917 213 HA TYR 29 HA TYR 29 -10.242 3.305 22.546 214 HB2 TYR 29 HB2 TYR 29 -11.682 1.519 23.158 215 HB3 TYR 29 HB1 TYR 29 -12.875 1.955 21.946 216 HD1 TYR 29 HD1 TYR 29 -9.481 0.503 22.421 217 HD2 TYR 29 HD2 TYR 29 -12.744 1.086 19.759 218 HE1 TYR 29 HE1 TYR 29 -8.480 -1.100 20.849 219 HE2 TYR 29 HE2 TYR 29 -11.757 -0.506 18.179 220 HH TYR 29 HH TYR 29 -9.143 -2.551 19.033 221 H PHE 30 HN PHE 30 -13.013 4.218 20.573 222 HA PHE 30 HA PHE 30 -11.650 3.909 18.079 223 HB2 PHE 30 HB2 PHE 30 -14.408 4.662 18.879 224 HB3 PHE 30 HB1 PHE 30 -13.846 5.138 17.278 225 HD1 PHE 30 HD1 PHE 30 -14.571 2.259 19.458 226 HD2 PHE 30 HD2 PHE 30 -13.479 3.571 15.571 227 HE1 PHE 30 HE1 PHE 30 -15.020 0.008 18.570 228 HE2 PHE 30 HE2 PHE 30 -13.916 1.341 14.667 229 HZ PHE 30 HZ PHE 30 -14.693 -0.454 16.169 230 H ALA 31 HN ALA 31 -11.318 6.200 20.296 231 HA ALA 31 HA ALA 31 -11.598 8.709 19.342 232 HB1 ALA 31 HB1 ALA 31 -9.710 9.374 20.707 233 HB2 ALA 31 HB2 ALA 31 -9.176 7.694 20.791 234 HB3 ALA 31 HB3 ALA 31 -10.706 8.173 21.526 235 H GLN 32 HN GLN 32 -9.592 6.422 17.699 236 HA GLN 32 HA GLN 32 -7.654 8.158 16.597 237 HB2 GLN 32 HB2 GLN 32 -8.933 5.728 15.304 238 HB3 GLN 32 HB1 GLN 32 -7.464 6.518 14.753 239 HG2 GLN 32 HG2 GLN 32 -6.750 4.622 15.902 240 HG3 GLN 32 HG1 GLN 32 -6.501 5.959 17.033 241 HE21 GLN 32 HE21 GLN 32 -6.585 4.651 18.839 242 HE22 GLN 32 HE22 GLN 32 -8.065 3.930 19.378 243 H PHE 33 HN PHE 33 -10.927 7.309 15.705 244 HA PHE 33 HA PHE 33 -11.154 8.774 13.290 245 HB2 PHE 33 HB2 PHE 33 -13.208 7.922 15.340 246 HB3 PHE 33 HB1 PHE 33 -13.627 8.671 13.807 247 HD1 PHE 33 HD1 PHE 33 -12.052 5.686 15.337 248 HD2 PHE 33 HD2 PHE 33 -13.795 7.393 11.859 249 HE1 PHE 33 HE1 PHE 33 -12.106 3.470 14.285 250 HE2 PHE 33 HE2 PHE 33 -13.857 5.180 10.797 251 HZ PHE 33 HZ PHE 33 -13.009 3.209 12.017 252 H GLY 34 HN GLY 34 -11.555 9.542 16.648 253 HA2 GLY 34 HA2 GLY 34 -11.239 11.792 17.430 254 HA3 GLY 34 HA1 GLY 34 -12.009 12.353 15.952 255 H GLU 35 HN GLU 35 -14.018 13.032 16.196 256 HA GLU 35 HA GLU 35 -15.448 12.295 18.622 257 HB2 GLU 35 HB2 GLU 35 -16.363 14.236 16.500 258 HB3 GLU 35 HB1 GLU 35 -16.893 14.135 18.175 259 HG2 GLU 35 HG2 GLU 35 -14.227 15.073 17.141 260 HG3 GLU 35 HG1 GLU 35 -15.458 16.024 17.973 261 H ILE 36 HN ILE 36 -16.275 10.303 18.369 262 HA ILE 36 HA ILE 36 -17.461 9.275 16.011 263 HB ILE 36 HB ILE 36 -17.937 8.364 18.853 264 HG12 ILE 36 HG12 ILE 36 -15.541 8.409 18.330 265 HG13 ILE 36 HG11 ILE 36 -16.126 6.755 18.459 266 HG21 ILE 36 HG21 ILE 36 -18.470 6.201 17.857 267 HG22 ILE 36 HG22 ILE 36 -18.223 6.876 16.247 268 HG23 ILE 36 HG23 ILE 36 -19.544 7.466 17.253 269 HD11 ILE 36 HD11 ILE 36 -15.633 8.254 15.901 270 HD12 ILE 36 HD12 ILE 36 -16.219 6.600 16.029 271 HD13 ILE 36 HD13 ILE 36 -14.593 7.007 16.595 272 H LEU 37 HN LEU 37 -18.832 10.751 18.903 273 HA LEU 37 HA LEU 37 -21.450 10.840 17.590 274 HB2 LEU 37 HB2 LEU 37 -20.810 10.153 20.439 275 HB3 LEU 37 HB1 LEU 37 -22.424 10.509 19.848 276 HG LEU 37 HG LEU 37 -20.754 8.271 18.719 277 HD11 LEU 37 HD11 LEU 37 -22.077 6.786 20.112 278 HD12 LEU 37 HD12 LEU 37 -22.777 8.195 20.919 279 HD13 LEU 37 HD13 LEU 37 -21.052 7.864 21.056 280 HD21 LEU 37 HD21 LEU 37 -23.611 9.127 18.514 281 HD22 LEU 37 HD22 LEU 37 -23.134 7.457 18.244 282 HD23 LEU 37 HD23 LEU 37 -22.474 8.735 17.219 283 H GLU 38 HN GLU 38 -22.880 12.541 18.525 284 HA GLU 38 HA GLU 38 -21.323 14.962 18.864 285 HB2 GLU 38 HB2 GLU 38 -23.306 14.901 17.358 286 HB3 GLU 38 HB1 GLU 38 -24.329 14.629 18.762 287 HG2 GLU 38 HG2 GLU 38 -24.342 16.970 18.002 288 HG3 GLU 38 HG1 GLU 38 -23.769 16.788 19.657 289 H ASP 39 HN ASP 39 -22.972 12.721 20.804 290 HA ASP 39 HA ASP 39 -23.379 14.356 23.102 291 HB2 ASP 39 HB2 ASP 39 -24.593 12.298 22.980 292 HB3 ASP 39 HB1 ASP 39 -23.132 11.366 22.682 293 H LEU 40 HN LEU 40 -21.984 14.631 24.907 294 HA LEU 40 HA LEU 40 -19.250 13.672 24.464 295 HB2 LEU 40 HB2 LEU 40 -19.761 16.153 23.832 296 HB3 LEU 40 HB1 LEU 40 -19.754 16.428 25.557 297 HG LEU 40 HG LEU 40 -17.419 15.330 23.970 298 HD11 LEU 40 HD11 LEU 40 -16.415 17.533 24.297 299 HD12 LEU 40 HD12 LEU 40 -17.895 18.095 25.070 300 HD13 LEU 40 HD13 LEU 40 -17.910 17.629 23.367 301 HD21 LEU 40 HD21 LEU 40 -16.111 15.778 25.980 302 HD22 LEU 40 HD22 LEU 40 -17.395 14.613 26.315 303 HD23 LEU 40 HD23 LEU 40 -17.568 16.290 26.830 304 H GLU 41 HN GLU 41 -20.614 15.787 26.965 305 HA GLU 41 HA GLU 41 -20.713 15.678 29.213 306 HB2 GLU 41 HB2 GLU 41 -21.817 13.304 28.394 307 HB3 GLU 41 HB1 GLU 41 -20.546 12.754 29.474 308 HG2 GLU 41 HG2 GLU 41 -22.762 14.676 30.153 309 HG3 GLU 41 HG1 GLU 41 -22.642 12.993 30.665 310 H SER 42 HN SER 42 -18.606 12.924 28.312 311 HA SER 42 HA SER 42 -16.370 14.166 29.659 312 HB2 SER 42 HB2 SER 42 -17.524 12.827 31.416 313 HB3 SER 42 HB1 SER 42 -17.365 11.402 30.403 314 HG SER 42 HG SER 42 -15.537 12.624 32.011 315 H GLU 43 HN GLU 43 -14.494 13.659 28.616 316 HA GLU 43 HA GLU 43 -14.587 11.512 26.655 317 HB2 GLU 43 HB2 GLU 43 -13.140 12.928 25.215 318 HB3 GLU 43 HB1 GLU 43 -14.723 13.632 25.504 319 HG2 GLU 43 HG2 GLU 43 -13.845 15.188 27.069 320 HG3 GLU 43 HG1 GLU 43 -12.260 14.403 27.045 321 H LEU 44 HN LEU 44 -11.738 12.429 26.110 322 HA LEU 44 HA LEU 44 -10.531 10.525 27.903 323 HB2 LEU 44 HB2 LEU 44 -9.289 12.088 25.637 324 HB3 LEU 44 HB1 LEU 44 -8.538 10.775 26.511 325 HG LEU 44 HG LEU 44 -10.604 9.407 25.607 326 HD11 LEU 44 HD11 LEU 44 -10.351 11.619 23.578 327 HD12 LEU 44 HD12 LEU 44 -11.736 11.332 24.625 328 HD13 LEU 44 HD13 LEU 44 -11.304 10.148 23.391 329 HD21 LEU 44 HD21 LEU 44 -9.269 8.786 23.652 330 HD22 LEU 44 HD22 LEU 44 -8.281 8.913 25.108 331 HD23 LEU 44 HD23 LEU 44 -8.248 10.203 23.901 332 H GLY 45 HN GLY 45 -9.040 10.964 29.462 333 HA2 GLY 45 HA2 GLY 45 -8.806 13.661 30.409 334 HA3 GLY 45 HA1 GLY 45 -8.014 12.241 31.093 335 H ASP 46 HN ASP 46 -6.822 11.430 28.637 336 HA ASP 46 HA ASP 46 -4.879 13.573 28.066 337 HB2 ASP 46 HB2 ASP 46 -4.084 11.724 29.723 338 HB3 ASP 46 HB1 ASP 46 -4.096 10.660 28.321 339 H THR 47 HN THR 47 -3.384 11.972 26.212 340 HA THR 47 HA THR 47 -3.380 11.409 24.011 341 HB THR 47 HB THR 47 -6.210 10.384 24.283 342 HG1 THR 47 HG1 THR 47 -4.296 9.756 25.938 343 HG21 THR 47 HG21 THR 47 -5.419 8.706 22.709 344 HG22 THR 47 HG22 THR 47 -3.781 9.358 22.807 345 HG23 THR 47 HG23 THR 47 -5.074 10.326 22.092 346 H GLU 48 HN GLU 48 -4.204 13.997 24.762 347 HA GLU 48 HA GLU 48 -6.453 15.056 23.462 348 HB2 GLU 48 HB2 GLU 48 -5.054 16.214 25.150 349 HB3 GLU 48 HB1 GLU 48 -3.772 16.312 23.950 350 HG2 GLU 48 HG2 GLU 48 -5.331 17.648 22.518 351 HG3 GLU 48 HG1 GLU 48 -6.448 17.681 23.886 352 H THR 49 HN THR 49 -3.258 14.282 22.368 353 HA THR 49 HA THR 49 -3.214 15.800 20.019 354 HB THR 49 HB THR 49 -1.291 14.279 19.411 355 HG1 THR 49 HG1 THR 49 -0.651 13.058 21.433 356 HG21 THR 49 HG21 THR 49 0.152 15.160 21.185 357 HG22 THR 49 HG22 THR 49 -1.269 15.505 22.173 358 HG23 THR 49 HG23 THR 49 -1.010 16.389 20.666 359 H MET 50 HN MET 50 -4.632 12.663 20.674 360 HA MET 50 HA MET 50 -4.871 12.185 17.787 361 HB2 MET 50 HB2 MET 50 -3.972 10.322 19.125 362 HB3 MET 50 HB1 MET 50 -5.460 10.290 20.059 363 HG2 MET 50 HG2 MET 50 -6.719 9.697 18.067 364 HG3 MET 50 HG1 MET 50 -5.248 9.763 17.103 365 HE1 MET 50 HE1 MET 50 -7.312 7.845 19.778 366 HE2 MET 50 HE2 MET 50 -5.902 8.315 20.724 367 HE3 MET 50 HE3 MET 50 -6.184 6.615 20.346 368 H ARG 51 HN ARG 51 -6.474 13.644 17.307 369 HA ARG 51 HA ARG 51 -9.191 12.749 17.900 370 HB2 ARG 51 HB2 ARG 51 -8.348 15.670 18.116 371 HB3 ARG 51 HB1 ARG 51 -9.971 15.039 18.330 372 HG2 ARG 51 HG2 ARG 51 -7.646 14.382 20.132 373 HG3 ARG 51 HG1 ARG 51 -8.821 15.649 20.442 374 HD2 ARG 51 HD2 ARG 51 -9.616 12.777 20.029 375 HD3 ARG 51 HD1 ARG 51 -9.191 13.423 21.613 376 HE ARG 51 HE ARG 51 -11.584 14.078 20.028 377 HH11 ARG 51 HH11 ARG 51 -9.684 14.592 22.945 378 HH12 ARG 51 HH12 ARG 51 -11.003 15.285 23.836 379 HH21 ARG 51 HH21 ARG 51 -13.322 14.953 21.203 380 HH22 ARG 51 HH22 ARG 51 -13.088 15.481 22.852 381 H THR 52 HN THR 52 -10.712 14.088 16.313 382 HA THR 52 HA THR 52 -9.876 13.685 13.670 383 HB THR 52 HB THR 52 -11.923 15.743 14.525 384 HG1 THR 52 HG1 THR 52 -12.165 12.904 14.266 385 HG21 THR 52 HG21 THR 52 -13.003 15.166 12.404 386 HG22 THR 52 HG22 THR 52 -11.742 13.981 12.072 387 HG23 THR 52 HG23 THR 52 -11.344 15.698 12.126 388 HA PRO 53 HA PRO 53 -6.867 16.954 13.362 389 HB2 PRO 53 HB2 PRO 53 -6.754 16.967 10.591 390 HB3 PRO 53 HB1 PRO 53 -5.838 15.884 11.636 391 HG2 PRO 53 HG2 PRO 53 -8.386 15.405 10.161 392 HG3 PRO 53 HG1 PRO 53 -7.016 14.306 10.415 393 HD2 PRO 53 HD2 PRO 53 -9.294 14.091 11.827 394 HD3 PRO 53 HD1 PRO 53 -7.710 13.750 12.561 395 H GLY 54 HN GLY 54 -7.475 18.978 13.788 396 HA2 GLY 54 HA2 GLY 54 -7.912 21.146 12.940 397 HA3 GLY 54 HA1 GLY 54 -8.920 20.422 11.695 398 H TYR 55 HN TYR 55 -9.783 18.871 14.463 399 HA TYR 55 HA TYR 55 -11.833 20.896 15.064 400 HB2 TYR 55 HB2 TYR 55 -12.200 17.921 14.769 401 HB3 TYR 55 HB1 TYR 55 -13.396 18.975 15.509 402 HD1 TYR 55 HD2 TYR 55 -14.641 20.578 14.160 403 HD2 TYR 55 HD1 TYR 55 -11.838 17.924 12.380 404 HE1 TYR 55 HE2 TYR 55 -15.612 21.051 11.950 405 HE2 TYR 55 HE1 TYR 55 -12.801 18.389 10.159 406 HH TYR 55 HH TYR 55 -15.010 19.174 9.242 407 H PHE 56 HN PHE 56 -11.193 21.680 16.991 408 HA PHE 56 HA PHE 56 -10.784 19.715 19.148 409 HB2 PHE 56 HB2 PHE 56 -9.062 21.710 18.526 410 HB3 PHE 56 HB1 PHE 56 -10.175 22.541 19.618 411 HD1 PHE 56 HD1 PHE 56 -7.933 19.607 19.417 412 HD2 PHE 56 HD2 PHE 56 -10.045 22.333 21.909 413 HE1 PHE 56 HE1 PHE 56 -6.772 18.707 21.383 414 HE2 PHE 56 HE2 PHE 56 -8.882 21.430 23.885 415 HZ PHE 56 HZ PHE 56 -7.247 19.619 23.613 416 H PHE 57 HN PHE 57 -13.199 20.997 17.843 417 HA PHE 57 HA PHE 57 -15.246 21.829 18.340 418 HB2 PHE 57 HB2 PHE 57 -16.376 20.659 20.193 419 HB3 PHE 57 HB1 PHE 57 -15.400 19.556 19.262 420 HD1 PHE 57 HD2 PHE 57 -13.221 18.844 20.175 421 HD2 PHE 57 HD1 PHE 57 -16.096 20.946 22.455 422 HE1 PHE 57 HE2 PHE 57 -12.116 18.137 22.180 423 HE2 PHE 57 HE1 PHE 57 -15.010 20.207 24.500 424 HZ PHE 57 HZ PHE 57 -13.001 18.783 24.393 425 H GLN 58 HN GLN 58 -16.734 22.635 20.287 426 HA GLN 58 HA GLN 58 -15.303 24.586 21.934 427 HB2 GLN 58 HB2 GLN 58 -17.623 25.153 20.071 428 HB3 GLN 58 HB1 GLN 58 -17.264 26.188 21.436 429 HG2 GLN 58 HG2 GLN 58 -16.283 27.254 19.609 430 HG3 GLN 58 HG1 GLN 58 -14.940 26.454 20.419 431 HE21 GLN 58 HE21 GLN 58 -13.683 26.434 18.587 432 HE22 GLN 58 HE22 GLN 58 -14.009 25.398 17.241 433 H GLN 59 HN GLN 59 -16.441 25.113 23.893 434 HA GLN 59 HA GLN 59 -18.488 23.122 24.536 435 HB2 GLN 59 HB2 GLN 59 -16.433 23.111 25.941 436 HB3 GLN 59 HB1 GLN 59 -16.805 24.751 26.450 437 HG2 GLN 59 HG2 GLN 59 -18.859 23.994 27.492 438 HG3 GLN 59 HG1 GLN 59 -18.557 22.351 26.935 439 HE21 GLN 59 HE21 GLN 59 -18.526 21.493 28.992 440 HE22 GLN 59 HE22 GLN 59 -17.244 21.786 30.114 441 H ALA 60 HN ALA 60 -20.308 24.051 23.862 442 HA ALA 60 HA ALA 60 -21.404 26.197 25.459 443 HB1 ALA 60 HB1 ALA 60 -21.216 26.417 22.439 444 HB2 ALA 60 HB2 ALA 60 -20.358 27.429 23.603 445 HB3 ALA 60 HB3 ALA 60 -22.119 27.508 23.492 446 HA PRO 61 HA PRO 61 -24.990 23.640 25.155 447 HB2 PRO 61 HB2 PRO 61 -26.618 26.069 24.605 448 HB3 PRO 61 HB1 PRO 61 -26.797 24.864 25.882 449 HG2 PRO 61 HG2 PRO 61 -25.813 27.268 26.436 450 HG3 PRO 61 HG1 PRO 61 -25.143 25.818 27.200 451 HD2 PRO 61 HD2 PRO 61 -24.049 27.450 24.942 452 HD3 PRO 61 HD1 PRO 61 -23.199 26.692 26.312 453 H ASN 62 HN ASN 62 -24.600 26.049 22.624 454 HA ASN 62 HA ASN 62 -26.299 24.487 20.797 455 HB2 ASN 62 HB2 ASN 62 -26.235 26.503 19.354 456 HB3 ASN 62 HB1 ASN 62 -26.854 26.858 20.964 457 HD21 ASN 62 HD21 ASN 62 -25.704 28.209 22.303 458 HD22 ASN 62 HD22 ASN 62 -24.324 29.115 21.770 459 H ARG 63 HN ARG 63 -23.679 23.500 21.449 460 HA ARG 63 HA ARG 63 -21.962 24.265 19.232 461 HB2 ARG 63 HB2 ARG 63 -20.193 23.149 20.312 462 HB3 ARG 63 HB1 ARG 63 -21.103 23.934 21.578 463 HG2 ARG 63 HG2 ARG 63 -20.907 21.018 20.931 464 HG3 ARG 63 HG1 ARG 63 -20.529 21.833 22.447 465 HD2 ARG 63 HD2 ARG 63 -22.937 22.275 22.773 466 HD3 ARG 63 HD1 ARG 63 -23.291 21.439 21.253 467 HE ARG 63 HE ARG 63 -22.736 20.256 23.819 468 HH11 ARG 63 HH11 ARG 63 -22.509 19.724 20.369 469 HH12 ARG 63 HH12 ARG 63 -22.477 17.999 20.498 470 HH21 ARG 63 HH21 ARG 63 -22.752 17.966 23.994 471 HH22 ARG 63 HH22 ARG 63 -22.652 16.997 22.559 472 H ARG 64 HN ARG 64 -22.490 23.371 17.258 473 HA ARG 64 HA ARG 64 -22.924 20.536 17.075 474 HB2 ARG 64 HB2 ARG 64 -23.046 22.888 15.292 475 HB3 ARG 64 HB1 ARG 64 -22.637 21.352 14.548 476 HG2 ARG 64 HG2 ARG 64 -25.045 22.076 14.614 477 HG3 ARG 64 HG1 ARG 64 -24.677 20.410 15.075 478 HD2 ARG 64 HD2 ARG 64 -26.351 21.365 16.559 479 HD3 ARG 64 HD1 ARG 64 -24.858 21.101 17.451 480 HE ARG 64 HE ARG 64 -24.761 23.322 17.859 481 HH11 ARG 64 HH11 ARG 64 -26.889 22.804 15.075 482 HH12 ARG 64 HH12 ARG 64 -27.310 24.478 14.918 483 HH21 ARG 64 HH21 ARG 64 -25.359 25.560 17.626 484 HH22 ARG 64 HH22 ARG 64 -26.458 26.038 16.374 485 H ARG 65 HN ARG 65 -21.034 19.648 17.790 486 HA ARG 65 HA ARG 65 -18.479 20.692 17.093 487 HB2 ARG 65 HB2 ARG 65 -19.126 17.987 18.214 488 HB3 ARG 65 HB1 ARG 65 -17.592 18.827 18.294 489 HG2 ARG 65 HG2 ARG 65 -18.668 20.556 19.706 490 HG3 ARG 65 HG1 ARG 65 -20.143 19.576 19.687 491 HD2 ARG 65 HD2 ARG 65 -17.447 18.796 20.762 492 HD3 ARG 65 HD1 ARG 65 -18.918 19.084 21.692 493 HE ARG 65 HE ARG 65 -19.847 17.111 20.386 494 HH11 ARG 65 HH11 ARG 65 -16.441 17.482 21.155 495 HH12 ARG 65 HH12 ARG 65 -16.078 15.796 21.028 496 HH21 ARG 65 HH21 ARG 65 -19.367 14.826 20.290 497 HH22 ARG 65 HH22 ARG 65 -17.753 14.298 20.591 498 H ILE 66 HN ILE 66 -20.441 17.918 16.104 499 HA ILE 66 HA ILE 66 -18.338 17.160 14.242 500 HB ILE 66 HB ILE 66 -19.204 15.360 15.600 501 HG12 ILE 66 HG12 ILE 66 -20.148 14.947 12.766 502 HG13 ILE 66 HG11 ILE 66 -18.455 14.957 13.235 503 HG21 ILE 66 HG21 ILE 66 -21.497 14.498 15.341 504 HG22 ILE 66 HG22 ILE 66 -21.887 15.897 14.336 505 HG23 ILE 66 HG23 ILE 66 -21.450 16.122 16.027 506 HD11 ILE 66 HD11 ILE 66 -19.252 12.674 13.031 507 HD12 ILE 66 HD12 ILE 66 -20.569 13.004 14.157 508 HD13 ILE 66 HD13 ILE 66 -18.904 13.017 14.729 509 H SER 67 HN SER 67 -18.342 17.684 12.272 510 HA SER 67 HA SER 67 -20.651 18.970 11.075 511 HB2 SER 67 HB2 SER 67 -17.818 18.670 10.108 512 HB3 SER 67 HB1 SER 67 -19.077 19.634 9.344 513 HG SER 67 HG SER 67 -18.835 20.210 11.988 514 H ARG 68 HN ARG 68 -19.824 15.954 11.373 515 HA ARG 68 HA ARG 68 -20.279 15.165 8.592 516 HB2 ARG 68 HB2 ARG 68 -19.572 13.332 10.882 517 HB3 ARG 68 HB1 ARG 68 -19.442 13.000 9.162 518 HG2 ARG 68 HG2 ARG 68 -17.731 14.867 10.796 519 HG3 ARG 68 HG1 ARG 68 -17.243 13.349 10.053 520 HD2 ARG 68 HD2 ARG 68 -18.089 15.858 8.600 521 HD3 ARG 68 HD1 ARG 68 -16.436 15.273 8.784 522 HE ARG 68 HE ARG 68 -17.213 13.281 7.462 523 HH11 ARG 68 HH11 ARG 68 -18.763 16.418 7.129 524 HH12 ARG 68 HH12 ARG 68 -19.243 16.152 5.493 525 HH21 ARG 68 HH21 ARG 68 -17.811 12.939 5.283 526 HH22 ARG 68 HH22 ARG 68 -18.704 14.160 4.430 527 H GLU 69 HN GLU 69 -22.067 13.992 8.007 528 HA GLU 69 HA GLU 69 -24.358 14.217 9.696 529 HB2 GLU 69 HB2 GLU 69 -25.540 13.104 7.796 530 HB3 GLU 69 HB1 GLU 69 -24.665 14.560 7.353 531 HG2 GLU 69 HG2 GLU 69 -22.846 13.195 6.469 532 HG3 GLU 69 HG1 GLU 69 -23.718 11.736 6.930 533 H HIS 70 HN HIS 70 -25.585 12.616 10.633 534 HA HIS 70 HA HIS 70 -24.817 9.853 10.373 535 HB2 HIS 70 HB2 HIS 70 -24.327 9.412 12.667 536 HB3 HIS 70 HB1 HIS 70 -23.338 10.784 12.201 537 HD2 HIS 70 HD2 HIS 70 -25.977 9.801 14.790 538 HE1 HIS 70 HE1 HIS 70 -25.148 13.916 15.366 539 HE2 HIS 70 HE2 HIS 70 -25.952 11.778 16.443 540 H GLY 71 HN GLY 71 -26.348 8.434 11.584 541 HA2 GLY 71 HA2 GLY 71 -29.007 9.710 11.550 542 HA3 GLY 71 HA1 GLY 71 -28.691 8.077 10.970 543 H ARG 72 HN ARG 72 -30.199 7.184 12.315 544 HA ARG 72 HA ARG 72 -30.464 7.648 15.077 545 HB2 ARG 72 HB2 ARG 72 -32.130 6.610 13.524 546 HB3 ARG 72 HB1 ARG 72 -31.173 5.145 13.581 547 HG2 ARG 72 HG2 ARG 72 -31.591 4.944 15.962 548 HG3 ARG 72 HG1 ARG 72 -32.520 6.450 15.936 549 HD2 ARG 72 HD2 ARG 72 -34.014 5.406 14.235 550 HD3 ARG 72 HD1 ARG 72 -33.160 3.891 14.494 551 HE ARG 72 HE ARG 72 -34.008 4.738 16.979 552 HH11 ARG 72 HH11 ARG 72 -35.477 3.876 13.912 553 HH12 ARG 72 HH12 ARG 72 -36.933 3.281 14.624 554 HH21 ARG 72 HH21 ARG 72 -35.941 3.949 17.937 555 HH22 ARG 72 HH22 ARG 72 -37.202 3.320 16.928 556 H THR 73 HN THR 73 -28.799 5.019 13.380 557 HA THR 73 HA THR 73 -27.271 4.594 15.839 558 HB THR 73 HB THR 73 -27.433 2.166 15.520 559 HG1 THR 73 HG1 THR 73 -28.998 1.360 14.056 560 HG21 THR 73 HG21 THR 73 -29.753 1.887 16.291 561 HG22 THR 73 HG22 THR 73 -30.113 3.529 15.754 562 HG23 THR 73 HG23 THR 73 -28.975 3.262 17.075 563 H TRP 74 HN TRP 74 -26.914 5.658 12.918 564 HA TRP 74 HA TRP 74 -24.416 4.195 12.415 565 HB2 TRP 74 HB2 TRP 74 -24.813 4.391 9.979 566 HB3 TRP 74 HB1 TRP 74 -26.026 3.406 10.782 567 HD1 TRP 74 HD1 TRP 74 -28.509 4.503 11.037 568 HE1 TRP 74 HE1 TRP 74 -29.723 6.249 9.589 569 HE3 TRP 74 HE3 TRP 74 -24.472 6.458 8.561 570 HZ2 TRP 74 HZ2 TRP 74 -29.066 8.191 7.642 571 HZ3 TRP 74 HZ3 TRP 74 -24.858 8.252 6.918 572 HH2 TRP 74 HH2 TRP 74 -27.102 9.098 6.470 573 H THR 75 HN THR 75 -22.695 5.405 11.760 574 HA THR 75 HA THR 75 -23.112 8.297 11.438 575 HB THR 75 HB THR 75 -21.012 6.982 13.174 576 HG1 THR 75 HG1 THR 75 -22.337 7.381 14.756 577 HG21 THR 75 HG21 THR 75 -21.500 9.933 12.724 578 HG22 THR 75 HG22 THR 75 -20.182 9.011 12.002 579 HG23 THR 75 HG23 THR 75 -20.261 9.202 13.754 580 H LYS 76 HN LYS 76 -21.980 9.173 9.781 581 HA LYS 76 HA LYS 76 -20.130 7.430 8.341 582 HB2 LYS 76 HB2 LYS 76 -21.996 8.544 7.110 583 HB3 LYS 76 HB1 LYS 76 -21.300 10.103 7.501 584 HG2 LYS 76 HG2 LYS 76 -19.320 9.566 6.205 585 HG3 LYS 76 HG1 LYS 76 -19.962 7.960 5.871 586 HD2 LYS 76 HD2 LYS 76 -20.405 9.307 3.960 587 HD3 LYS 76 HD1 LYS 76 -21.935 9.066 4.799 588 HE2 LYS 76 HE2 LYS 76 -21.706 11.282 5.832 589 HE3 LYS 76 HE1 LYS 76 -20.179 11.517 4.983 590 HZ1 LYS 76 HZ1 LYS 76 -22.909 11.355 3.839 591 HZ2 LYS 76 HZ2 LYS 76 -21.525 11.158 2.886 592 HZ3 LYS 76 HZ3 LYS 76 -21.780 12.611 3.711 593 H LEU 77 HN LEU 77 -18.121 7.552 9.087 594 HA LEU 77 HA LEU 77 -17.141 10.090 10.187 595 HB2 LEU 77 HB2 LEU 77 -16.165 7.264 10.539 596 HB3 LEU 77 HB1 LEU 77 -15.377 8.672 11.227 597 HG LEU 77 HG LEU 77 -18.218 7.865 11.859 598 HD11 LEU 77 HD11 LEU 77 -15.696 7.378 13.429 599 HD12 LEU 77 HD12 LEU 77 -16.693 6.151 12.642 600 HD13 LEU 77 HD13 LEU 77 -17.338 7.074 13.999 601 HD21 LEU 77 HD21 LEU 77 -17.751 10.239 12.180 602 HD22 LEU 77 HD22 LEU 77 -16.346 9.838 13.163 603 HD23 LEU 77 HD23 LEU 77 -17.963 9.427 13.729 604 H THR 78 HN THR 78 -15.621 11.224 9.223 605 HA THR 78 HA THR 78 -14.243 10.042 6.914 606 HB THR 78 HB THR 78 -14.835 12.965 7.403 607 HG1 THR 78 HG1 THR 78 -16.430 10.926 6.558 608 HG21 THR 78 HG21 THR 78 -13.998 11.438 4.931 609 HG22 THR 78 HG22 THR 78 -12.974 12.532 5.864 610 HG23 THR 78 HG23 THR 78 -14.370 13.159 4.987 611 H TYR 79 HN TYR 79 -12.093 9.733 7.196 612 HA TYR 79 HA TYR 79 -10.625 11.148 9.297 613 HB2 TYR 79 HB2 TYR 79 -9.994 8.913 7.414 614 HB3 TYR 79 HB1 TYR 79 -8.679 9.813 8.144 615 HD1 TYR 79 HD2 TYR 79 -8.499 9.875 10.643 616 HD2 TYR 79 HD1 TYR 79 -11.118 7.228 8.609 617 HE1 TYR 79 HE2 TYR 79 -8.579 8.438 12.635 618 HE2 TYR 79 HE1 TYR 79 -11.194 5.788 10.594 619 HH TYR 79 HH TYR 79 -9.838 5.293 12.544 620 H ALA 80 HN ALA 80 -11.029 11.245 5.857 621 HA ALA 80 HA ALA 80 -10.439 12.765 4.289 622 HB1 ALA 80 HB1 ALA 80 -9.168 14.792 4.815 623 HB2 ALA 80 HB2 ALA 80 -8.803 14.158 6.416 624 HB3 ALA 80 HB3 ALA 80 -10.465 14.542 5.981 625 H ASN 81 HN ASN 81 -8.497 10.589 5.748 626 HA ASN 81 HA ASN 81 -6.485 10.859 3.619 627 HB2 ASN 81 HB2 ASN 81 -5.979 10.061 6.479 628 HB3 ASN 81 HB1 ASN 81 -4.837 9.776 5.190 629 HD21 ASN 81 HD21 ASN 81 -3.711 11.470 4.303 630 HD22 ASN 81 HD22 ASN 81 -3.674 13.045 5.006 631 H HIS 82 HN HIS 82 -5.966 9.054 2.531 632 HA HIS 82 HA HIS 82 -7.822 6.923 2.598 633 HB2 HIS 82 HB2 HIS 82 -6.613 7.724 0.543 634 HB3 HIS 82 HB1 HIS 82 -5.164 6.933 1.156 635 HD2 HIS 82 HD2 HIS 82 -5.382 4.043 1.249 636 HE1 HIS 82 HE1 HIS 82 -8.653 3.929 -1.454 637 HE2 HIS 82 HE2 HIS 82 -6.828 2.598 -0.351 638 H SER 83 HN SER 83 -4.533 7.284 3.833 639 HA SER 83 HA SER 83 -4.048 4.574 4.436 640 HB2 SER 83 HB2 SER 83 -3.047 6.987 5.974 641 HB3 SER 83 HB1 SER 83 -2.306 5.386 5.915 642 HG SER 83 HG SER 83 -2.249 5.855 3.507 643 H SER 84 HN SER 84 -5.481 7.188 6.354 644 HA SER 84 HA SER 84 -5.979 5.655 8.662 645 HB2 SER 84 HB2 SER 84 -7.436 8.122 7.706 646 HB3 SER 84 HB1 SER 84 -7.326 7.534 9.365 647 HG SER 84 HG SER 84 -5.822 9.149 9.127 648 H TYR 85 HN TYR 85 -7.745 6.261 5.712 649 HA TYR 85 HA TYR 85 -10.316 5.399 6.353 650 HB2 TYR 85 HB2 TYR 85 -10.018 6.521 4.304 651 HB3 TYR 85 HB1 TYR 85 -8.723 5.447 3.804 652 HD1 TYR 85 HD1 TYR 85 -12.391 5.802 4.109 653 HD2 TYR 85 HD2 TYR 85 -9.189 3.364 2.724 654 HE1 TYR 85 HE1 TYR 85 -13.979 4.451 2.794 655 HE2 TYR 85 HE2 TYR 85 -10.768 2.016 1.414 656 HH TYR 85 HH TYR 85 -13.172 1.462 1.456 657 H LEU 86 HN LEU 86 -7.588 3.492 5.078 658 HA LEU 86 HA LEU 86 -9.062 1.126 4.828 659 HB2 LEU 86 HB2 LEU 86 -7.020 1.613 3.570 660 HB3 LEU 86 HB1 LEU 86 -6.091 1.547 5.054 661 HG LEU 86 HG LEU 86 -6.648 -0.765 5.323 662 HD11 LEU 86 HD11 LEU 86 -7.715 -2.017 3.456 663 HD12 LEU 86 HD12 LEU 86 -8.066 -0.478 2.676 664 HD13 LEU 86 HD13 LEU 86 -8.805 -0.867 4.224 665 HD21 LEU 86 HD21 LEU 86 -4.612 -0.235 4.170 666 HD22 LEU 86 HD22 LEU 86 -5.485 -0.073 2.641 667 HD23 LEU 86 HD23 LEU 86 -5.341 -1.651 3.410 668 H ARG 87 HN ARG 87 -7.293 2.558 7.454 669 HA ARG 87 HA ARG 87 -7.253 0.172 9.063 670 HB2 ARG 87 HB2 ARG 87 -6.646 3.041 9.750 671 HB3 ARG 87 HB1 ARG 87 -6.366 1.672 10.820 672 HG2 ARG 87 HG2 ARG 87 -4.809 0.736 9.171 673 HG3 ARG 87 HG1 ARG 87 -5.074 2.143 8.144 674 HD2 ARG 87 HD2 ARG 87 -4.215 3.585 9.948 675 HD3 ARG 87 HD1 ARG 87 -3.914 2.147 10.925 676 HE ARG 87 HE ARG 87 -2.661 2.299 8.298 677 HH11 ARG 87 HH11 ARG 87 -2.322 2.516 11.780 678 HH12 ARG 87 HH12 ARG 87 -0.604 2.348 11.760 679 HH21 ARG 87 HH21 ARG 87 -0.375 2.047 8.257 680 HH22 ARG 87 HH22 ARG 87 0.513 2.068 9.747 681 H ALA 88 HN ALA 88 -9.588 2.424 8.289 682 HA ALA 88 HA ALA 88 -10.982 2.355 10.838 683 HB1 ALA 88 HB1 ALA 88 -12.419 3.972 9.956 684 HB2 ALA 88 HB2 ALA 88 -11.951 3.601 8.297 685 HB3 ALA 88 HB3 ALA 88 -10.807 4.400 9.377 686 H LEU 89 HN LEU 89 -10.765 0.464 8.143 687 HA LEU 89 HA LEU 89 -13.387 -0.121 7.428 688 HB2 LEU 89 HB2 LEU 89 -11.336 -0.691 6.171 689 HB3 LEU 89 HB1 LEU 89 -10.986 -1.938 7.350 690 HG LEU 89 HG LEU 89 -13.031 -3.143 6.679 691 HD11 LEU 89 HD11 LEU 89 -14.372 -1.244 5.975 692 HD12 LEU 89 HD12 LEU 89 -14.219 -2.403 4.652 693 HD13 LEU 89 HD13 LEU 89 -13.251 -0.925 4.654 694 HD21 LEU 89 HD21 LEU 89 -11.222 -2.394 4.392 695 HD22 LEU 89 HD22 LEU 89 -12.230 -3.838 4.484 696 HD23 LEU 89 HD23 LEU 89 -10.886 -3.625 5.604 697 H ARG 90 HN ARG 90 -11.276 -1.711 9.821 698 HA ARG 90 HA ARG 90 -11.688 -3.201 11.513 699 HB2 ARG 90 HB2 ARG 90 -14.269 -1.626 11.679 700 HB3 ARG 90 HB1 ARG 90 -13.608 -2.635 12.946 701 HG2 ARG 90 HG2 ARG 90 -12.354 -0.120 11.869 702 HG3 ARG 90 HG1 ARG 90 -13.221 -0.291 13.388 703 HD2 ARG 90 HD2 ARG 90 -10.677 -1.721 12.648 704 HD3 ARG 90 HD1 ARG 90 -10.810 -0.337 13.730 705 HE ARG 90 HE ARG 90 -12.491 -2.379 14.658 706 HH11 ARG 90 HH11 ARG 90 -9.068 -1.648 14.343 707 HH12 ARG 90 HH12 ARG 90 -8.600 -2.654 15.672 708 HH21 ARG 90 HH21 ARG 90 -11.845 -3.754 16.415 709 HH22 ARG 90 HH22 ARG 90 -10.172 -3.846 16.838 710 H GLU 91 HN GLU 91 -14.653 -3.729 12.224 711 HA GLU 91 HA GLU 91 -16.193 -5.325 11.993 712 HB2 GLU 91 HB2 GLU 91 -16.609 -4.058 9.880 713 HB3 GLU 91 HB1 GLU 91 -15.571 -5.194 9.034 714 HG2 GLU 91 HG2 GLU 91 -17.086 -7.003 9.529 715 HG3 GLU 91 HG1 GLU 91 -18.098 -5.932 10.487 716 H HIS 92 HN HIS 92 -13.376 -6.061 12.372 717 HA HIS 92 HA HIS 92 -13.514 -8.850 11.429 718 HB2 HIS 92 HB2 HIS 92 -11.137 -7.120 12.097 719 HB3 HIS 92 HB1 HIS 92 -11.016 -8.876 12.091 720 HD2 HIS 92 HD2 HIS 92 -11.462 -5.932 9.555 721 HE1 HIS 92 HE1 HIS 92 -10.618 -9.485 7.407 722 HE2 HIS 92 HE2 HIS 92 -11.192 -7.052 7.240 723 H GLY 93 HN GLY 93 -14.974 -9.352 13.136 724 HA2 GLY 93 HA2 GLY 93 -15.424 -10.265 15.199 725 HA3 GLY 93 HA1 GLY 93 -13.686 -10.317 15.475 726 H THR 94 HN THR 94 -15.415 -7.365 14.739 727 HA THR 94 HA THR 94 -14.416 -6.223 17.198 728 HB THR 94 HB THR 94 -16.055 -4.828 15.069 729 HG1 THR 94 HG1 THR 94 -13.354 -5.618 15.142 730 HG21 THR 94 HG21 THR 94 -14.030 -3.802 17.073 731 HG22 THR 94 HG22 THR 94 -15.778 -3.637 17.227 732 HG23 THR 94 HG23 THR 94 -14.925 -2.820 15.912 733 H ILE 95 HN ILE 95 -15.676 -7.243 18.767 734 HA ILE 95 HA ILE 95 -18.524 -6.540 18.764 735 HB ILE 95 HB ILE 95 -17.059 -8.701 20.297 736 HG12 ILE 95 HG12 ILE 95 -19.301 -8.927 18.301 737 HG13 ILE 95 HG11 ILE 95 -17.602 -9.096 17.869 738 HG21 ILE 95 HG21 ILE 95 -19.973 -7.931 20.448 739 HG22 ILE 95 HG22 ILE 95 -18.771 -7.719 21.721 740 HG23 ILE 95 HG23 ILE 95 -19.240 -9.343 21.213 741 HD11 ILE 95 HD11 ILE 95 -19.164 -10.853 19.753 742 HD12 ILE 95 HD12 ILE 95 -17.439 -11.008 19.419 743 HD13 ILE 95 HD13 ILE 95 -18.613 -11.269 18.130 744 H TYR 96 HN TYR 96 -19.259 -5.123 20.163 745 HA TYR 96 HA TYR 96 -17.612 -4.436 22.488 746 HB2 TYR 96 HB2 TYR 96 -17.380 -2.819 20.503 747 HB3 TYR 96 HB1 TYR 96 -19.051 -2.376 20.815 748 HD1 TYR 96 HD1 TYR 96 -15.629 -2.249 22.052 749 HD2 TYR 96 HD2 TYR 96 -19.641 -1.056 22.775 750 HE1 TYR 96 HE1 TYR 96 -14.834 -0.645 23.744 751 HE2 TYR 96 HE2 TYR 96 -18.868 0.554 24.464 752 HH TYR 96 HH TYR 96 -15.610 1.448 24.800 753 H CYS 97 HN CYS 97 -18.759 -4.259 24.327 754 HA CYS 97 HA CYS 97 -20.470 -4.273 25.811 755 HB2 CYS 97 HB2 CYS 97 -21.030 -2.120 24.622 756 HB3 CYS 97 HB1 CYS 97 -22.149 -3.027 23.617 757 HG CYS 97 HG CYS 97 -23.364 -3.931 26.241 758 H GLY 98 HN GLY 98 -20.201 -6.397 23.539 759 HA2 GLY 98 HA2 GLY 98 -21.147 -8.557 23.673 760 HA3 GLY 98 HA1 GLY 98 -22.598 -7.858 24.364 761 H ALA 99 HN ALA 99 -21.561 -6.079 21.683 762 HA ALA 99 HA ALA 99 -23.127 -7.724 19.824 763 HB1 ALA 99 HB1 ALA 99 -24.290 -5.772 18.982 764 HB2 ALA 99 HB2 ALA 99 -23.485 -4.752 20.177 765 HB3 ALA 99 HB3 ALA 99 -24.626 -5.993 20.702 766 H ALA 100 HN ALA 100 -22.557 -7.498 17.651 767 HA ALA 100 HA ALA 100 -19.884 -6.420 17.248 768 HB1 ALA 100 HB1 ALA 100 -20.382 -8.685 16.446 769 HB2 ALA 100 HB2 ALA 100 -19.929 -7.610 15.122 770 HB3 ALA 100 HB3 ALA 100 -21.622 -8.030 15.372 771 H ILE 101 HN ILE 101 -19.514 -4.539 16.315 772 HA ILE 101 HA ILE 101 -21.767 -3.089 15.182 773 HB ILE 101 HB ILE 101 -20.306 -1.102 15.219 774 HG12 ILE 101 HG12 ILE 101 -18.224 -2.877 16.515 775 HG13 ILE 101 HG11 ILE 101 -18.152 -2.342 14.845 776 HG21 ILE 101 HG21 ILE 101 -20.330 -2.607 17.832 777 HG22 ILE 101 HG22 ILE 101 -21.646 -1.628 17.183 778 HG23 ILE 101 HG23 ILE 101 -20.124 -0.866 17.649 779 HD11 ILE 101 HD11 ILE 101 -18.049 -0.584 17.296 780 HD12 ILE 101 HD12 ILE 101 -18.074 -0.007 15.632 781 HD13 ILE 101 HD13 ILE 101 -16.719 -0.972 16.203 782 H GLY 102 HN GLY 102 -21.749 -2.207 13.103 783 HA2 GLY 102 HA2 GLY 102 -20.075 -3.768 11.265 784 HA3 GLY 102 HA1 GLY 102 -21.580 -2.962 10.846 785 H CYS 103 HN CYS 103 -18.532 -2.897 10.105 786 HA CYS 103 HA CYS 103 -18.473 0.017 9.747 787 HB2 CYS 103 HB2 CYS 103 -16.074 -1.719 10.376 788 HB3 CYS 103 HB1 CYS 103 -16.072 0.025 10.148 789 HG CYS 103 HG CYS 103 -18.205 -0.416 12.483 790 H VAL 104 HN VAL 104 -18.683 0.332 7.630 791 HA VAL 104 HA VAL 104 -17.087 -1.303 5.796 792 HB VAL 104 HB VAL 104 -19.007 -1.473 4.212 793 HG11 VAL 104 HG11 VAL 104 -18.430 -3.364 5.647 794 HG12 VAL 104 HG12 VAL 104 -20.164 -3.288 5.325 795 HG13 VAL 104 HG13 VAL 104 -19.531 -2.752 6.885 796 HG21 VAL 104 HG21 VAL 104 -21.295 -1.126 5.073 797 HG22 VAL 104 HG22 VAL 104 -20.363 0.367 5.005 798 HG23 VAL 104 HG23 VAL 104 -20.610 -0.446 6.550 799 HA PRO 105 HA PRO 105 -16.446 2.518 3.623 800 HB2 PRO 105 HB2 PRO 105 -16.952 1.237 1.025 801 HB3 PRO 105 HB1 PRO 105 -15.445 1.898 1.668 802 HG2 PRO 105 HG2 PRO 105 -15.836 -0.754 1.344 803 HG3 PRO 105 HG1 PRO 105 -14.829 -0.092 2.647 804 HD2 PRO 105 HD2 PRO 105 -17.637 -1.116 2.748 805 HD3 PRO 105 HD1 PRO 105 -16.316 -1.329 3.915 806 H TYR 106 HN TYR 106 -17.575 4.142 2.402 807 HA TYR 106 HA TYR 106 -20.332 4.197 2.821 808 HB2 TYR 106 HB2 TYR 106 -18.898 6.214 2.516 809 HB3 TYR 106 HB1 TYR 106 -18.761 5.807 0.811 810 HD1 TYR 106 HD2 TYR 106 -20.684 6.071 -0.699 811 HD2 TYR 106 HD1 TYR 106 -20.923 7.175 3.397 812 HE1 TYR 106 HE2 TYR 106 -22.742 7.332 -1.172 813 HE2 TYR 106 HE1 TYR 106 -22.973 8.443 2.950 814 HH TYR 106 HH TYR 106 -24.094 9.518 1.049 815 H LYS 107 HN LYS 107 -21.815 3.005 1.854 816 HA LYS 107 HA LYS 107 -21.604 2.557 -1.043 817 HB2 LYS 107 HB2 LYS 107 -22.617 0.800 1.157 818 HB3 LYS 107 HB1 LYS 107 -23.458 0.735 -0.383 819 HG2 LYS 107 HG2 LYS 107 -21.888 -1.008 -0.454 820 HG3 LYS 107 HG1 LYS 107 -21.183 0.278 -1.439 821 HD2 LYS 107 HD2 LYS 107 -19.830 0.957 0.522 822 HD3 LYS 107 HD1 LYS 107 -20.487 -0.418 1.408 823 HE2 LYS 107 HE2 LYS 107 -18.878 -0.572 -1.143 824 HE3 LYS 107 HE1 LYS 107 -18.269 -0.899 0.475 825 HZ1 LYS 107 HZ1 LYS 107 -20.373 -2.434 -0.954 826 HZ2 LYS 107 HZ2 LYS 107 -19.882 -2.726 0.641 827 HZ3 LYS 107 HZ3 LYS 107 -18.795 -2.949 -0.632 828 H HIS 108 HN HIS 108 -23.263 3.217 -2.298 829 HA HIS 108 HA HIS 108 -24.944 5.255 -1.285 830 HB2 HIS 108 HB2 HIS 108 -24.168 5.214 -3.618 831 HB3 HIS 108 HB1 HIS 108 -25.102 3.754 -3.910 832 HD2 HIS 108 HD2 HIS 108 -27.666 4.205 -4.739 833 HE1 HIS 108 HE1 HIS 108 -27.785 8.367 -3.959 834 HE2 HIS 108 HE2 HIS 108 -29.053 6.386 -4.831 835 H GLU 109 HN GLU 109 -25.495 1.882 -2.096 836 HA GLU 109 HA GLU 109 -28.298 1.899 -1.783 837 HB2 GLU 109 HB2 GLU 109 -27.034 0.141 -2.964 838 HB3 GLU 109 HB1 GLU 109 -26.374 -0.399 -1.424 839 HG2 GLU 109 HG2 GLU 109 -28.653 -0.904 -0.659 840 HG3 GLU 109 HG1 GLU 109 -29.264 -0.431 -2.246 841 H LEU 110 HN LEU 110 -25.659 1.294 0.492 842 HA LEU 110 HA LEU 110 -27.209 0.328 2.641 843 HB2 LEU 110 HB2 LEU 110 -24.780 0.101 2.574 844 HB3 LEU 110 HB1 LEU 110 -24.599 1.844 2.649 845 HG LEU 110 HG LEU 110 -25.646 1.795 4.915 846 HD11 LEU 110 HD11 LEU 110 -25.334 -1.180 4.609 847 HD12 LEU 110 HD12 LEU 110 -26.852 -0.298 4.738 848 HD13 LEU 110 HD13 LEU 110 -25.736 -0.333 6.100 849 HD21 LEU 110 HD21 LEU 110 -23.132 0.175 4.526 850 HD22 LEU 110 HD22 LEU 110 -23.643 0.928 6.036 851 HD23 LEU 110 HD23 LEU 110 -23.237 1.931 4.644 852 H ILE 111 HN ILE 111 -26.062 3.606 1.883 853 HA ILE 111 HA ILE 111 -27.292 4.872 4.044 854 HB ILE 111 HB ILE 111 -26.231 5.835 1.403 855 HG12 ILE 111 HG12 ILE 111 -24.724 7.127 2.906 856 HG13 ILE 111 HG11 ILE 111 -25.556 6.428 4.284 857 HG21 ILE 111 HG21 ILE 111 -27.687 7.584 3.386 858 HG22 ILE 111 HG22 ILE 111 -28.203 7.219 1.740 859 HG23 ILE 111 HG23 ILE 111 -26.736 8.156 2.017 860 HD11 ILE 111 HD11 ILE 111 -23.453 5.324 3.899 861 HD12 ILE 111 HD12 ILE 111 -23.937 4.925 2.249 862 HD13 ILE 111 HD13 ILE 111 -24.794 4.212 3.620 863 H SER 112 HN SER 112 -28.440 4.172 0.798 864 HA SER 112 HA SER 112 -30.849 5.570 0.896 865 HB2 SER 112 HB2 SER 112 -29.749 4.309 -1.078 866 HB3 SER 112 HB1 SER 112 -30.529 2.875 -0.427 867 HG SER 112 HG SER 112 -32.201 3.510 -1.518 868 H GLU 113 HN GLU 113 -30.119 2.195 1.857 869 HA GLU 113 HA GLU 113 -32.750 1.652 2.750 870 HB2 GLU 113 HB2 GLU 113 -31.195 -0.157 2.214 871 HB3 GLU 113 HB1 GLU 113 -30.186 0.293 3.589 872 HG2 GLU 113 HG2 GLU 113 -32.005 -0.234 5.119 873 HG3 GLU 113 HG1 GLU 113 -33.048 -0.631 3.762 874 H LEU 114 HN LEU 114 -29.873 2.844 4.400 875 HA LEU 114 HA LEU 114 -30.896 2.773 7.007 876 HB2 LEU 114 HB2 LEU 114 -28.819 4.530 5.748 877 HB3 LEU 114 HB1 LEU 114 -29.174 4.524 7.461 878 HG LEU 114 HG LEU 114 -28.200 2.139 5.905 879 HD11 LEU 114 HD11 LEU 114 -26.117 2.464 7.112 880 HD12 LEU 114 HD12 LEU 114 -26.778 3.943 7.823 881 HD13 LEU 114 HD13 LEU 114 -26.499 3.849 6.081 882 HD21 LEU 114 HD21 LEU 114 -29.569 1.484 7.787 883 HD22 LEU 114 HD22 LEU 114 -28.650 2.542 8.856 884 HD23 LEU 114 HD23 LEU 114 -27.874 1.136 8.125 885 H SER 115 HN SER 115 -31.068 5.226 4.478 886 HA SER 115 HA SER 115 -32.369 7.195 6.014 887 HB2 SER 115 HB2 SER 115 -31.254 7.431 3.706 888 HB3 SER 115 HB1 SER 115 -32.751 6.767 3.052 889 HG SER 115 HG SER 115 -33.871 8.523 3.991 890 H ARG 116 HN ARG 116 -33.530 4.492 4.072 891 HA ARG 116 HA ARG 116 -36.316 5.035 4.210 892 HB2 ARG 116 HB2 ARG 116 -34.803 2.458 3.797 893 HB3 ARG 116 HB1 ARG 116 -36.541 2.623 3.598 894 HG2 ARG 116 HG2 ARG 116 -34.529 4.217 2.026 895 HG3 ARG 116 HG1 ARG 116 -35.188 2.668 1.495 896 HD2 ARG 116 HD2 ARG 116 -36.903 5.045 2.196 897 HD3 ARG 116 HD1 ARG 116 -36.319 4.709 0.567 898 HE ARG 116 HE ARG 116 -37.582 2.416 1.619 899 HH11 ARG 116 HH11 ARG 116 -38.357 5.614 0.398 900 HH12 ARG 116 HH12 ARG 116 -39.888 5.141 -0.243 901 HH21 ARG 116 HH21 ARG 116 -39.627 1.785 0.791 902 HH22 ARG 116 HH22 ARG 116 -40.613 2.949 -0.023 903 H GLU 117 HN GLU 117 -34.275 2.758 6.038 904 HA GLU 117 HA GLU 117 -34.613 1.497 7.879 905 HB2 GLU 117 HB2 GLU 117 -34.251 3.763 8.877 906 HB3 GLU 117 HB1 GLU 117 -35.998 3.983 8.928 907 HG2 GLU 117 HG2 GLU 117 -36.218 2.135 10.489 908 HG3 GLU 117 HG1 GLU 117 -34.494 1.804 10.373 909 H GLY 118 HN GLY 118 -36.498 0.995 5.912 910 HA2 GLY 118 HA2 GLY 118 -38.216 -0.638 6.024 911 HA3 GLY 118 HA1 GLY 118 -38.705 0.025 7.576 912 H HIS 119 HN HIS 119 -38.888 2.713 6.963 913 HA HIS 119 HA HIS 119 -40.461 4.227 6.292 914 HB2 HIS 119 HB2 HIS 119 -39.193 3.665 4.095 915 HB3 HIS 119 HB1 HIS 119 -40.628 2.748 3.668 916 HD2 HIS 119 HD2 HIS 119 -42.919 4.325 3.089 917 HE1 HIS 119 HE1 HIS 119 -40.836 8.019 3.095 918 HE2 HIS 119 HE2 HIS 119 -43.067 6.890 2.824 919 H HIS 120 HN HIS 120 -41.301 1.779 7.568 920 HA HIS 120 HA HIS 120 -43.804 0.946 6.391 921 HB2 HIS 120 HB2 HIS 120 -43.956 -0.476 8.465 922 HB3 HIS 120 HB1 HIS 120 -42.508 -0.748 7.509 923 HD2 HIS 120 HD2 HIS 120 -43.507 0.263 11.083 924 HE1 HIS 120 HE1 HIS 120 -39.290 0.703 10.776 925 HE2 HIS 120 HE2 HIS 120 -41.258 0.599 12.344 926 H HIS 121 HN HIS 121 -43.593 3.736 7.079 927 HA HIS 121 HA HIS 121 -44.779 5.410 7.982 928 HB2 HIS 121 HB2 HIS 121 -46.728 4.230 7.076 929 HB3 HIS 121 HB1 HIS 121 -46.824 3.234 8.517 930 HD2 HIS 121 HD2 HIS 121 -47.333 7.067 7.630 931 HE1 HIS 121 HE1 HIS 121 -49.729 6.041 10.980 932 HE2 HIS 121 HE2 HIS 121 -49.179 7.818 9.291 933 H HIS 122 HN HIS 122 -46.381 3.480 10.351 934 HA HIS 122 HA HIS 122 -44.489 3.445 12.394 935 HB2 HIS 122 HB2 HIS 122 -44.714 5.962 12.149 936 HB3 HIS 122 HB1 HIS 122 -46.403 5.795 12.616 937 HD2 HIS 122 HD2 HIS 122 -46.135 7.121 15.032 938 HE1 HIS 122 HE1 HIS 122 -43.312 4.456 16.740 939 HE2 HIS 122 HE2 HIS 122 -44.753 6.488 17.127 940 H HIS 123 HN HIS 123 -45.553 2.958 14.503 941 HA HIS 123 HA HIS 123 -47.718 1.181 14.153 942 HB2 HIS 123 HB2 HIS 123 -46.423 2.298 16.626 943 HB3 HIS 123 HB1 HIS 123 -47.766 1.165 16.696 944 HD2 HIS 123 HD2 HIS 123 -47.149 -1.450 15.721 945 HE1 HIS 123 HE1 HIS 123 -42.958 -0.854 15.869 946 HE2 HIS 123 HE2 HIS 123 -44.801 -2.483 15.401 947 H HIS 124 HN HIS 124 -47.541 4.505 15.136 948 HA HIS 124 HA HIS 124 -50.394 4.585 15.697 949 HB2 HIS 124 HB2 HIS 124 -48.843 5.845 17.173 950 HB3 HIS 124 HB1 HIS 124 -48.329 6.807 15.791 951 HD2 HIS 124 HD2 HIS 124 -51.571 6.327 17.975 952 HE1 HIS 124 HE1 HIS 124 -51.793 10.055 15.972 953 HE2 HIS 124 HE2 HIS 124 -52.953 8.461 17.533 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -16.825 10.454 -17.632 2 H2 MET 1 HT2 MET 1 -16.286 11.795 -18.501 3 H3 MET 1 HT3 MET 1 -17.866 11.752 -17.915 4 HA MET 1 HA MET 1 -16.432 13.181 -16.599 5 HB2 MET 1 HB2 MET 1 -18.387 11.897 -15.625 6 HB3 MET 1 HB1 MET 1 -17.241 10.683 -15.086 7 HG2 MET 1 HG2 MET 1 -17.140 13.573 -14.240 8 HG3 MET 1 HG1 MET 1 -17.985 12.318 -13.342 9 HE1 MET 1 HE1 MET 1 -16.813 10.342 -12.087 10 HE2 MET 1 HE2 MET 1 -15.081 10.029 -12.117 11 HE3 MET 1 HE3 MET 1 -16.040 9.809 -13.579 12 H SER 2 HN SER 2 -14.349 13.539 -16.280 13 HA SER 2 HA SER 2 -12.678 11.525 -15.094 14 HB2 SER 2 HB2 SER 2 -10.950 11.762 -16.980 15 HB3 SER 2 HB1 SER 2 -12.349 10.733 -17.281 16 HG SER 2 HG SER 2 -12.582 11.947 -18.976 17 H LEU 3 HN LEU 3 -13.270 14.789 -16.058 18 HA LEU 3 HA LEU 3 -10.756 15.924 -15.508 19 HB2 LEU 3 HB2 LEU 3 -12.487 17.111 -16.748 20 HB3 LEU 3 HB1 LEU 3 -13.505 17.157 -15.324 21 HG LEU 3 HG LEU 3 -11.864 18.616 -14.205 22 HD11 LEU 3 HD11 LEU 3 -9.838 17.895 -15.328 23 HD12 LEU 3 HD12 LEU 3 -10.056 19.634 -15.512 24 HD13 LEU 3 HD13 LEU 3 -10.424 18.551 -16.856 25 HD21 LEU 3 HD21 LEU 3 -13.738 19.594 -15.428 26 HD22 LEU 3 HD22 LEU 3 -12.766 19.614 -16.901 27 HD23 LEU 3 HD23 LEU 3 -12.306 20.620 -15.529 28 H GLY 4 HN GLY 4 -13.582 15.391 -13.440 29 HA2 GLY 4 HA2 GLY 4 -12.249 16.555 -11.151 30 HA3 GLY 4 HA1 GLY 4 -13.852 15.831 -11.176 31 H SER 5 HN SER 5 -12.087 15.351 -9.111 32 HA SER 5 HA SER 5 -10.753 12.835 -9.558 33 HB2 SER 5 HB2 SER 5 -11.275 14.313 -6.970 34 HB3 SER 5 HB1 SER 5 -10.135 12.988 -7.207 35 HG SER 5 HG SER 5 -9.357 15.290 -7.286 36 H GLU 6 HN GLU 6 -13.842 13.930 -8.593 37 HA GLU 6 HA GLU 6 -15.719 12.968 -7.791 38 HB2 GLU 6 HB2 GLU 6 -15.346 11.778 -9.983 39 HB3 GLU 6 HB1 GLU 6 -14.635 10.458 -9.069 40 HG2 GLU 6 HG2 GLU 6 -16.947 9.991 -9.649 41 HG3 GLU 6 HG1 GLU 6 -16.752 10.126 -7.900 42 H SER 7 HN SER 7 -14.199 13.263 -5.737 43 HA SER 7 HA SER 7 -13.930 10.685 -4.414 44 HB2 SER 7 HB2 SER 7 -12.563 12.175 -2.766 45 HB3 SER 7 HB1 SER 7 -11.846 11.671 -4.292 46 HG SER 7 HG SER 7 -12.962 14.186 -3.617 47 H GLU 8 HN GLU 8 -16.374 10.898 -4.240 48 HA GLU 8 HA GLU 8 -17.429 12.644 -2.280 49 HB2 GLU 8 HB2 GLU 8 -18.827 11.740 -4.009 50 HB3 GLU 8 HB1 GLU 8 -18.436 10.104 -3.502 51 HG2 GLU 8 HG2 GLU 8 -20.601 10.710 -2.769 52 HG3 GLU 8 HG1 GLU 8 -19.528 10.500 -1.390 53 H THR 9 HN THR 9 -16.450 9.358 -2.384 54 HA THR 9 HA THR 9 -16.784 9.043 0.484 55 HB THR 9 HB THR 9 -15.920 7.020 -1.594 56 HG1 THR 9 HG1 THR 9 -18.177 6.263 -0.930 57 HG21 THR 9 HG21 THR 9 -16.431 5.361 0.152 58 HG22 THR 9 HG22 THR 9 -16.752 6.667 1.291 59 HG23 THR 9 HG23 THR 9 -15.126 6.442 0.642 60 H GLY 10 HN GLY 10 -14.213 8.057 -1.769 61 HA2 GLY 10 HA2 GLY 10 -11.934 8.187 -1.624 62 HA3 GLY 10 HA1 GLY 10 -12.163 9.558 -0.547 63 H ASN 11 HN ASN 11 -12.027 9.282 1.624 64 HA ASN 11 HA ASN 11 -11.245 6.610 2.552 65 HB2 ASN 11 HB2 ASN 11 -10.039 9.286 3.252 66 HB3 ASN 11 HB1 ASN 11 -9.770 7.844 4.225 67 HD21 ASN 11 HD21 ASN 11 -7.909 9.494 2.600 68 HD22 ASN 11 HD22 ASN 11 -7.168 8.387 1.501 69 H ALA 12 HN ALA 12 -13.836 8.107 2.583 70 HA ALA 12 HA ALA 12 -14.316 8.310 5.469 71 HB1 ALA 12 HB1 ALA 12 -16.149 8.926 3.149 72 HB2 ALA 12 HB2 ALA 12 -15.192 10.110 4.040 73 HB3 ALA 12 HB3 ALA 12 -16.491 9.231 4.851 74 H VAL 13 HN VAL 13 -15.775 6.963 6.538 75 HA VAL 13 HA VAL 13 -16.883 4.730 4.978 76 HB VAL 13 HB VAL 13 -16.328 3.146 6.783 77 HG11 VAL 13 HG11 VAL 13 -14.825 3.306 4.882 78 HG12 VAL 13 HG12 VAL 13 -13.925 2.949 6.357 79 HG13 VAL 13 HG13 VAL 13 -13.914 4.582 5.689 80 HG21 VAL 13 HG21 VAL 13 -14.763 5.438 7.964 81 HG22 VAL 13 HG22 VAL 13 -14.723 3.767 8.533 82 HG23 VAL 13 HG23 VAL 13 -16.214 4.701 8.645 83 H VAL 14 HN VAL 14 -18.626 3.613 6.053 84 HA VAL 14 HA VAL 14 -20.112 5.382 7.878 85 HB VAL 14 HB VAL 14 -21.169 3.119 6.156 86 HG11 VAL 14 HG11 VAL 14 -22.636 5.110 7.885 87 HG12 VAL 14 HG12 VAL 14 -22.458 3.386 8.206 88 HG13 VAL 14 HG13 VAL 14 -23.393 3.933 6.814 89 HG21 VAL 14 HG21 VAL 14 -22.253 4.853 4.832 90 HG22 VAL 14 HG22 VAL 14 -20.497 5.066 4.825 91 HG23 VAL 14 HG23 VAL 14 -21.509 6.098 5.834 92 H VAL 15 HN VAL 15 -20.079 4.786 9.931 93 HA VAL 15 HA VAL 15 -19.613 1.948 10.532 94 HB VAL 15 HB VAL 15 -19.157 4.294 12.388 95 HG11 VAL 15 HG11 VAL 15 -18.081 1.484 12.548 96 HG12 VAL 15 HG12 VAL 15 -19.546 2.012 13.359 97 HG13 VAL 15 HG13 VAL 15 -17.990 2.743 13.782 98 HG21 VAL 15 HG21 VAL 15 -16.757 4.025 11.922 99 HG22 VAL 15 HG22 VAL 15 -17.655 4.500 10.480 100 HG23 VAL 15 HG23 VAL 15 -17.137 2.825 10.687 101 H PHE 16 HN PHE 16 -21.127 0.870 11.615 102 HA PHE 16 HA PHE 16 -23.245 2.335 12.990 103 HB2 PHE 16 HB2 PHE 16 -24.985 0.954 11.852 104 HB3 PHE 16 HB1 PHE 16 -24.166 2.085 10.784 105 HD1 PHE 16 HD1 PHE 16 -24.602 -1.455 11.652 106 HD2 PHE 16 HD2 PHE 16 -22.765 1.313 8.988 107 HE1 PHE 16 HE1 PHE 16 -24.065 -3.296 10.108 108 HE2 PHE 16 HE2 PHE 16 -22.230 -0.520 7.444 109 HZ PHE 16 HZ PHE 16 -22.881 -2.832 8.006 110 H GLY 17 HN GLY 17 -24.730 0.801 14.162 111 HA2 GLY 17 HA2 GLY 17 -24.928 -1.528 14.992 112 HA3 GLY 17 HA1 GLY 17 -23.175 -1.529 15.118 113 H TYR 18 HN TYR 18 -23.843 1.455 16.003 114 HA TYR 18 HA TYR 18 -24.451 0.763 18.783 115 HB2 TYR 18 HB2 TYR 18 -22.798 2.510 19.491 116 HB3 TYR 18 HB1 TYR 18 -22.082 1.088 18.743 117 HD1 TYR 18 HD1 TYR 18 -22.898 4.657 18.244 118 HD2 TYR 18 HD2 TYR 18 -20.861 1.258 16.708 119 HE1 TYR 18 HE1 TYR 18 -21.709 6.095 16.643 120 HE2 TYR 18 HE2 TYR 18 -19.670 2.684 15.118 121 HH TYR 18 HH TYR 18 -19.990 4.874 14.012 122 H ARG 19 HN ARG 19 -24.970 2.793 20.063 123 HA ARG 19 HA ARG 19 -26.694 4.521 18.418 124 HB2 ARG 19 HB2 ARG 19 -28.309 4.501 20.259 125 HB3 ARG 19 HB1 ARG 19 -28.006 2.873 19.670 126 HG2 ARG 19 HG2 ARG 19 -26.394 2.596 21.597 127 HG3 ARG 19 HG1 ARG 19 -26.982 4.140 22.196 128 HD2 ARG 19 HD2 ARG 19 -29.243 3.277 22.328 129 HD3 ARG 19 HD1 ARG 19 -28.717 1.732 21.665 130 HE ARG 19 HE ARG 19 -28.262 2.740 24.366 131 HH11 ARG 19 HH11 ARG 19 -27.598 0.236 21.978 132 HH12 ARG 19 HH12 ARG 19 -27.135 -0.944 23.147 133 HH21 ARG 19 HH21 ARG 19 -27.617 1.161 25.923 134 HH22 ARG 19 HH22 ARG 19 -27.145 -0.417 25.403 135 H GLU 20 HN GLU 20 -27.146 6.645 19.346 136 HA GLU 20 HA GLU 20 -24.762 7.827 20.396 137 HB2 GLU 20 HB2 GLU 20 -26.334 8.952 18.779 138 HB3 GLU 20 HB1 GLU 20 -27.494 9.092 20.087 139 HG2 GLU 20 HG2 GLU 20 -25.848 10.447 21.345 140 HG3 GLU 20 HG1 GLU 20 -24.771 10.381 19.952 141 H ALA 21 HN ALA 21 -24.487 6.774 22.304 142 HA ALA 21 HA ALA 21 -25.591 7.911 24.646 143 HB1 ALA 21 HB1 ALA 21 -26.720 5.961 25.575 144 HB2 ALA 21 HB2 ALA 21 -26.401 5.054 24.097 145 HB3 ALA 21 HB3 ALA 21 -27.491 6.440 24.062 146 H ILE 22 HN ILE 22 -23.844 5.391 23.037 147 HA ILE 22 HA ILE 22 -22.182 4.779 25.333 148 HB ILE 22 HB ILE 22 -21.051 3.196 23.721 149 HG12 ILE 22 HG12 ILE 22 -22.686 2.707 21.670 150 HG13 ILE 22 HG11 ILE 22 -23.051 4.416 21.831 151 HG21 ILE 22 HG21 ILE 22 -24.023 2.900 24.081 152 HG22 ILE 22 HG22 ILE 22 -22.770 2.417 25.225 153 HG23 ILE 22 HG23 ILE 22 -22.913 1.593 23.670 154 HD11 ILE 22 HD11 ILE 22 -20.678 4.936 21.536 155 HD12 ILE 22 HD12 ILE 22 -21.360 4.064 20.163 156 HD13 ILE 22 HD13 ILE 22 -20.344 3.216 21.330 157 H THR 23 HN THR 23 -22.185 7.439 24.179 158 HA THR 23 HA THR 23 -20.309 8.191 22.396 159 HB THR 23 HB THR 23 -20.798 9.638 25.001 160 HG1 THR 23 HG1 THR 23 -22.628 10.453 24.047 161 HG21 THR 23 HG21 THR 23 -20.122 10.642 22.230 162 HG22 THR 23 HG22 THR 23 -19.014 10.582 23.599 163 HG23 THR 23 HG23 THR 23 -20.417 11.651 23.648 164 H LYS 24 HN LYS 24 -19.593 8.308 25.897 165 HA LYS 24 HA LYS 24 -16.847 8.772 25.541 166 HB2 LYS 24 HB2 LYS 24 -18.537 7.983 27.866 167 HB3 LYS 24 HB1 LYS 24 -16.793 7.905 28.017 168 HG2 LYS 24 HG2 LYS 24 -17.627 9.992 28.885 169 HG3 LYS 24 HG1 LYS 24 -16.637 10.274 27.458 170 HD2 LYS 24 HD2 LYS 24 -18.692 10.489 26.111 171 HD3 LYS 24 HD1 LYS 24 -19.653 10.280 27.576 172 HE2 LYS 24 HE2 LYS 24 -17.656 12.474 27.071 173 HE3 LYS 24 HE1 LYS 24 -19.409 12.640 27.000 174 HZ1 LYS 24 HZ1 LYS 24 -18.444 13.408 29.111 175 HZ2 LYS 24 HZ2 LYS 24 -17.895 11.834 29.420 176 HZ3 LYS 24 HZ3 LYS 24 -19.551 12.142 29.327 177 H GLN 25 HN GLN 25 -18.641 5.819 25.847 178 HA GLN 25 HA GLN 25 -16.598 4.065 26.582 179 HB2 GLN 25 HB2 GLN 25 -19.047 3.567 24.892 180 HB3 GLN 25 HB1 GLN 25 -18.027 2.308 25.577 181 HG2 GLN 25 HG2 GLN 25 -18.563 3.029 27.797 182 HG3 GLN 25 HG1 GLN 25 -19.527 4.364 27.172 183 HE21 GLN 25 HE21 GLN 25 -21.434 3.722 28.063 184 HE22 GLN 25 HE22 GLN 25 -22.282 2.293 27.585 185 H ILE 26 HN ILE 26 -17.967 4.299 23.293 186 HA ILE 26 HA ILE 26 -15.764 2.936 22.157 187 HB ILE 26 HB ILE 26 -18.207 3.068 21.316 188 HG12 ILE 26 HG12 ILE 26 -16.007 3.347 19.282 189 HG13 ILE 26 HG11 ILE 26 -16.267 1.916 20.277 190 HG21 ILE 26 HG21 ILE 26 -18.603 4.722 19.548 191 HG22 ILE 26 HG22 ILE 26 -17.060 5.491 19.925 192 HG23 ILE 26 HG23 ILE 26 -18.361 5.497 21.115 193 HD11 ILE 26 HD11 ILE 26 -18.241 3.080 18.332 194 HD12 ILE 26 HD12 ILE 26 -18.475 1.638 19.320 195 HD13 ILE 26 HD13 ILE 26 -17.235 1.654 18.061 196 H LEU 27 HN LEU 27 -16.478 6.288 22.716 197 HA LEU 27 HA LEU 27 -14.832 7.459 20.790 198 HB2 LEU 27 HB2 LEU 27 -16.511 8.662 22.156 199 HB3 LEU 27 HB1 LEU 27 -15.451 8.515 23.544 200 HG LEU 27 HG LEU 27 -13.759 9.864 22.362 201 HD11 LEU 27 HD11 LEU 27 -15.928 10.175 20.290 202 HD12 LEU 27 HD12 LEU 27 -14.377 9.365 20.069 203 HD13 LEU 27 HD13 LEU 27 -14.432 11.104 20.351 204 HD21 LEU 27 HD21 LEU 27 -16.473 11.150 22.618 205 HD22 LEU 27 HD22 LEU 27 -14.924 11.995 22.573 206 HD23 LEU 27 HD23 LEU 27 -15.296 10.918 23.911 207 H ALA 28 HN ALA 28 -14.103 6.207 23.988 208 HA ALA 28 HA ALA 28 -11.606 7.278 24.434 209 HB1 ALA 28 HB1 ALA 28 -12.517 4.488 25.101 210 HB2 ALA 28 HB2 ALA 28 -12.820 5.932 26.067 211 HB3 ALA 28 HB3 ALA 28 -11.172 5.346 25.848 212 H TYR 29 HN TYR 29 -12.486 4.770 22.165 213 HA TYR 29 HA TYR 29 -9.684 4.145 21.648 214 HB2 TYR 29 HB2 TYR 29 -11.228 2.251 21.762 215 HB3 TYR 29 HB1 TYR 29 -12.197 2.944 20.464 216 HD1 TYR 29 HD1 TYR 29 -8.990 1.313 21.280 217 HD2 TYR 29 HD2 TYR 29 -11.509 2.745 18.164 218 HE1 TYR 29 HE1 TYR 29 -7.606 0.129 19.621 219 HE2 TYR 29 HE2 TYR 29 -10.140 1.567 16.504 220 HH TYR 29 HH TYR 29 -7.708 0.754 16.372 221 H PHE 30 HN PHE 30 -12.502 5.465 19.908 222 HA PHE 30 HA PHE 30 -10.883 5.812 17.540 223 HB2 PHE 30 HB2 PHE 30 -13.803 6.146 18.070 224 HB3 PHE 30 HB1 PHE 30 -13.076 6.716 16.571 225 HD1 PHE 30 HD2 PHE 30 -12.001 5.088 15.038 226 HD2 PHE 30 HD1 PHE 30 -14.228 3.845 18.443 227 HE1 PHE 30 HE2 PHE 30 -12.185 2.831 14.082 228 HE2 PHE 30 HE1 PHE 30 -14.418 1.581 17.494 229 HZ PHE 30 HZ PHE 30 -13.393 1.069 15.308 230 H ALA 31 HN ALA 31 -11.502 7.754 20.196 231 HA ALA 31 HA ALA 31 -11.826 10.294 19.063 232 HB1 ALA 31 HB1 ALA 31 -10.346 9.619 21.601 233 HB2 ALA 31 HB2 ALA 31 -12.089 9.821 21.461 234 HB3 ALA 31 HB3 ALA 31 -11.020 11.189 21.162 235 H GLN 32 HN GLN 32 -9.062 8.253 19.314 236 HA GLN 32 HA GLN 32 -7.009 10.138 18.945 237 HB2 GLN 32 HB2 GLN 32 -7.179 7.241 18.090 238 HB3 GLN 32 HB1 GLN 32 -5.709 8.198 18.057 239 HG2 GLN 32 HG2 GLN 32 -7.302 7.565 20.536 240 HG3 GLN 32 HG1 GLN 32 -5.863 6.696 20.003 241 HE21 GLN 32 HE21 GLN 32 -6.367 8.202 22.454 242 HE22 GLN 32 HE22 GLN 32 -5.135 9.414 22.533 243 H PHE 33 HN PHE 33 -9.252 8.606 16.766 244 HA PHE 33 HA PHE 33 -7.862 9.576 14.408 245 HB2 PHE 33 HB2 PHE 33 -10.469 8.063 14.640 246 HB3 PHE 33 HB1 PHE 33 -9.589 8.389 13.152 247 HD1 PHE 33 HD2 PHE 33 -7.340 7.324 12.812 248 HD2 PHE 33 HD1 PHE 33 -9.924 6.260 16.008 249 HE1 PHE 33 HE2 PHE 33 -6.078 5.235 13.130 250 HE2 PHE 33 HE1 PHE 33 -8.674 4.172 16.338 251 HZ PHE 33 HZ PHE 33 -6.747 3.656 14.904 252 H GLY 34 HN GLY 34 -10.964 10.072 16.093 253 HA2 GLY 34 HA2 GLY 34 -11.043 12.811 15.716 254 HA3 GLY 34 HA1 GLY 34 -11.827 12.118 14.310 255 H GLU 35 HN GLU 35 -13.415 13.655 15.544 256 HA GLU 35 HA GLU 35 -14.897 12.445 17.671 257 HB2 GLU 35 HB2 GLU 35 -16.616 14.326 16.674 258 HB3 GLU 35 HB1 GLU 35 -15.362 14.657 17.855 259 HG2 GLU 35 HG2 GLU 35 -14.936 14.960 14.885 260 HG3 GLU 35 HG1 GLU 35 -15.533 16.265 15.902 261 H ILE 36 HN ILE 36 -17.127 11.668 17.542 262 HA ILE 36 HA ILE 36 -17.605 10.434 14.896 263 HB ILE 36 HB ILE 36 -18.054 9.103 17.568 264 HG12 ILE 36 HG12 ILE 36 -16.078 8.506 15.364 265 HG13 ILE 36 HG11 ILE 36 -15.692 9.199 16.936 266 HG21 ILE 36 HG21 ILE 36 -18.648 7.115 16.255 267 HG22 ILE 36 HG22 ILE 36 -18.517 8.061 14.772 268 HG23 ILE 36 HG23 ILE 36 -19.761 8.451 15.961 269 HD11 ILE 36 HD11 ILE 36 -16.900 6.492 16.492 270 HD12 ILE 36 HD12 ILE 36 -16.387 7.173 18.038 271 HD13 ILE 36 HD13 ILE 36 -15.192 6.805 16.790 272 H LEU 37 HN LEU 37 -19.521 10.224 17.827 273 HA LEU 37 HA LEU 37 -21.952 10.355 16.414 274 HB2 LEU 37 HB2 LEU 37 -21.470 10.712 19.355 275 HB3 LEU 37 HB1 LEU 37 -22.991 10.297 18.590 276 HG LEU 37 HG LEU 37 -20.762 8.463 18.012 277 HD11 LEU 37 HD11 LEU 37 -20.295 9.006 20.296 278 HD12 LEU 37 HD12 LEU 37 -20.949 7.367 20.175 279 HD13 LEU 37 HD13 LEU 37 -21.971 8.692 20.743 280 HD21 LEU 37 HD21 LEU 37 -23.654 8.198 18.796 281 HD22 LEU 37 HD22 LEU 37 -22.573 6.825 18.591 282 HD23 LEU 37 HD23 LEU 37 -22.925 7.885 17.217 283 H GLU 38 HN GLU 38 -21.062 12.397 19.088 284 HA GLU 38 HA GLU 38 -21.199 14.905 17.896 285 HB2 GLU 38 HB2 GLU 38 -23.638 14.228 17.679 286 HB3 GLU 38 HB1 GLU 38 -23.708 14.113 19.428 287 HG2 GLU 38 HG2 GLU 38 -23.290 16.477 19.643 288 HG3 GLU 38 HG1 GLU 38 -23.049 16.623 17.901 289 H ASP 39 HN ASP 39 -19.547 13.483 19.503 290 HA ASP 39 HA ASP 39 -19.941 13.655 22.248 291 HB2 ASP 39 HB2 ASP 39 -17.364 13.422 22.295 292 HB3 ASP 39 HB1 ASP 39 -18.337 12.113 21.643 293 H LEU 40 HN LEU 40 -19.455 15.026 23.766 294 HA LEU 40 HA LEU 40 -18.875 17.764 22.964 295 HB2 LEU 40 HB2 LEU 40 -19.664 18.299 25.301 296 HB3 LEU 40 HB1 LEU 40 -20.867 17.658 24.203 297 HG LEU 40 HG LEU 40 -19.476 15.743 26.032 298 HD11 LEU 40 HD11 LEU 40 -21.119 16.211 27.786 299 HD12 LEU 40 HD12 LEU 40 -21.708 17.595 26.861 300 HD13 LEU 40 HD13 LEU 40 -20.063 17.595 27.500 301 HD21 LEU 40 HD21 LEU 40 -22.318 15.976 25.021 302 HD22 LEU 40 HD22 LEU 40 -21.670 14.654 25.989 303 HD23 LEU 40 HD23 LEU 40 -21.077 14.919 24.355 304 H GLU 41 HN GLU 41 -17.477 15.110 24.612 305 HA GLU 41 HA GLU 41 -15.270 16.831 25.512 306 HB2 GLU 41 HB2 GLU 41 -16.334 14.294 26.773 307 HB3 GLU 41 HB1 GLU 41 -14.833 15.069 27.252 308 HG2 GLU 41 HG2 GLU 41 -16.046 17.055 27.944 309 HG3 GLU 41 HG1 GLU 41 -17.561 16.341 27.400 310 H SER 42 HN SER 42 -13.230 16.191 24.931 311 HA SER 42 HA SER 42 -13.087 14.487 22.655 312 HB2 SER 42 HB2 SER 42 -10.650 14.996 22.707 313 HB3 SER 42 HB1 SER 42 -11.665 16.435 22.739 314 HG SER 42 HG SER 42 -10.381 16.893 24.361 315 H GLU 43 HN GLU 43 -12.611 14.021 26.036 316 HA GLU 43 HA GLU 43 -12.217 12.178 27.297 317 HB2 GLU 43 HB2 GLU 43 -12.571 10.800 24.644 318 HB3 GLU 43 HB1 GLU 43 -12.224 9.907 26.121 319 HG2 GLU 43 HG2 GLU 43 -14.588 11.722 25.699 320 HG3 GLU 43 HG1 GLU 43 -14.615 9.960 25.572 321 H LEU 44 HN LEU 44 -10.101 13.464 25.256 322 HA LEU 44 HA LEU 44 -8.009 11.557 25.964 323 HB2 LEU 44 HB2 LEU 44 -8.032 13.534 23.697 324 HB3 LEU 44 HB1 LEU 44 -6.763 12.392 24.063 325 HG LEU 44 HG LEU 44 -9.550 11.715 23.146 326 HD11 LEU 44 HD11 LEU 44 -8.459 10.953 21.120 327 HD12 LEU 44 HD12 LEU 44 -6.895 11.470 21.751 328 HD13 LEU 44 HD13 LEU 44 -8.144 12.665 21.402 329 HD21 LEU 44 HD21 LEU 44 -7.219 9.886 23.753 330 HD22 LEU 44 HD22 LEU 44 -8.743 9.398 23.013 331 HD23 LEU 44 HD23 LEU 44 -8.723 10.003 24.668 332 H GLY 45 HN GLY 45 -8.735 15.009 25.551 333 HA2 GLY 45 HA2 GLY 45 -7.992 16.800 26.826 334 HA3 GLY 45 HA1 GLY 45 -6.999 15.688 27.763 335 H ASP 46 HN ASP 46 -5.278 14.597 26.234 336 HA ASP 46 HA ASP 46 -3.882 16.789 24.856 337 HB2 ASP 46 HB2 ASP 46 -2.787 14.224 26.047 338 HB3 ASP 46 HB1 ASP 46 -1.832 15.404 25.155 339 H THR 47 HN THR 47 -2.827 16.322 22.864 340 HA THR 47 HA THR 47 -2.665 15.476 20.770 341 HB THR 47 HB THR 47 -3.810 12.893 21.894 342 HG1 THR 47 HG1 THR 47 -1.592 14.117 22.560 343 HG21 THR 47 HG21 THR 47 -3.768 13.089 19.435 344 HG22 THR 47 HG22 THR 47 -2.655 11.845 20.022 345 HG23 THR 47 HG23 THR 47 -2.037 13.418 19.503 346 H GLU 48 HN GLU 48 -5.190 16.486 22.123 347 HA GLU 48 HA GLU 48 -7.487 15.511 20.815 348 HB2 GLU 48 HB2 GLU 48 -7.546 16.831 22.852 349 HB3 GLU 48 HB1 GLU 48 -6.808 18.178 22.007 350 HG2 GLU 48 HG2 GLU 48 -8.824 18.398 20.628 351 HG3 GLU 48 HG1 GLU 48 -9.545 17.036 21.485 352 H THR 49 HN THR 49 -4.935 17.610 19.865 353 HA THR 49 HA THR 49 -6.338 18.930 17.747 354 HB THR 49 HB THR 49 -3.943 19.653 17.157 355 HG1 THR 49 HG1 THR 49 -2.410 18.770 18.315 356 HG21 THR 49 HG21 THR 49 -3.899 21.266 19.013 357 HG22 THR 49 HG22 THR 49 -5.090 20.295 19.880 358 HG23 THR 49 HG23 THR 49 -5.528 21.081 18.365 359 H MET 50 HN MET 50 -5.322 15.808 17.985 360 HA MET 50 HA MET 50 -4.432 15.669 15.193 361 HB2 MET 50 HB2 MET 50 -3.097 14.487 16.977 362 HB3 MET 50 HB1 MET 50 -4.476 13.425 17.225 363 HG2 MET 50 HG2 MET 50 -4.311 12.666 14.904 364 HG3 MET 50 HG1 MET 50 -2.923 13.723 14.658 365 HE1 MET 50 HE1 MET 50 -2.991 9.933 17.279 366 HE2 MET 50 HE2 MET 50 -4.315 10.489 16.258 367 HE3 MET 50 HE3 MET 50 -3.899 11.379 17.723 368 H ARG 51 HN ARG 51 -7.235 15.657 16.848 369 HA ARG 51 HA ARG 51 -8.563 13.406 15.693 370 HB2 ARG 51 HB2 ARG 51 -9.721 15.906 16.950 371 HB3 ARG 51 HB1 ARG 51 -10.611 14.430 16.614 372 HG2 ARG 51 HG2 ARG 51 -9.126 13.227 18.190 373 HG3 ARG 51 HG1 ARG 51 -8.344 14.758 18.570 374 HD2 ARG 51 HD2 ARG 51 -9.894 14.515 20.286 375 HD3 ARG 51 HD1 ARG 51 -10.719 15.578 19.151 376 HE ARG 51 HE ARG 51 -11.228 12.704 18.988 377 HH11 ARG 51 HH11 ARG 51 -12.424 15.902 19.770 378 HH12 ARG 51 HH12 ARG 51 -14.058 15.377 19.967 379 HH21 ARG 51 HH21 ARG 51 -13.428 12.036 19.262 380 HH22 ARG 51 HH22 ARG 51 -14.629 13.212 19.704 381 H THR 52 HN THR 52 -9.862 13.315 13.912 382 HA THR 52 HA THR 52 -10.481 13.692 11.799 383 HB THR 52 HB THR 52 -11.521 16.053 11.387 384 HG1 THR 52 HG1 THR 52 -11.648 16.160 14.201 385 HG21 THR 52 HG21 THR 52 -12.634 14.196 13.480 386 HG22 THR 52 HG22 THR 52 -12.813 14.016 11.735 387 HG23 THR 52 HG23 THR 52 -13.561 15.385 12.564 388 HA PRO 53 HA PRO 53 -7.444 15.557 9.149 389 HB2 PRO 53 HB2 PRO 53 -9.345 17.115 7.534 390 HB3 PRO 53 HB1 PRO 53 -8.343 15.736 7.066 391 HG2 PRO 53 HG2 PRO 53 -11.008 15.515 7.321 392 HG3 PRO 53 HG1 PRO 53 -9.914 14.190 7.757 393 HD2 PRO 53 HD2 PRO 53 -11.285 16.174 9.518 394 HD3 PRO 53 HD1 PRO 53 -11.093 14.421 9.740 395 H GLY 54 HN GLY 54 -8.594 17.330 11.406 396 HA2 GLY 54 HA2 GLY 54 -7.183 19.266 12.026 397 HA3 GLY 54 HA1 GLY 54 -7.450 19.859 10.393 398 H TYR 55 HN TYR 55 -9.788 18.477 12.695 399 HA TYR 55 HA TYR 55 -11.147 21.055 12.720 400 HB2 TYR 55 HB2 TYR 55 -12.377 18.302 12.436 401 HB3 TYR 55 HB1 TYR 55 -13.297 19.755 12.800 402 HD1 TYR 55 HD1 TYR 55 -11.245 18.077 10.219 403 HD2 TYR 55 HD2 TYR 55 -13.893 21.289 11.088 404 HE1 TYR 55 HE1 TYR 55 -11.476 18.526 7.813 405 HE2 TYR 55 HE2 TYR 55 -14.130 21.752 8.688 406 HH TYR 55 HH TYR 55 -12.915 21.387 6.629 407 H PHE 56 HN PHE 56 -12.977 20.699 14.501 408 HA PHE 56 HA PHE 56 -11.820 19.415 16.851 409 HB2 PHE 56 HB2 PHE 56 -12.628 22.328 16.736 410 HB3 PHE 56 HB1 PHE 56 -12.348 21.445 18.232 411 HD1 PHE 56 HD2 PHE 56 -10.057 20.539 18.693 412 HD2 PHE 56 HD1 PHE 56 -10.850 23.239 15.498 413 HE1 PHE 56 HE2 PHE 56 -7.664 21.082 18.563 414 HE2 PHE 56 HE1 PHE 56 -8.455 23.782 15.361 415 HZ PHE 56 HZ PHE 56 -6.857 22.700 16.892 416 H PHE 57 HN PHE 57 -13.310 19.005 18.514 417 HA PHE 57 HA PHE 57 -15.947 18.380 17.603 418 HB2 PHE 57 HB2 PHE 57 -16.255 17.467 19.837 419 HB3 PHE 57 HB1 PHE 57 -14.734 16.908 19.173 420 HD1 PHE 57 HD2 PHE 57 -12.652 17.782 20.066 421 HD2 PHE 57 HD1 PHE 57 -16.415 18.809 21.711 422 HE1 PHE 57 HE2 PHE 57 -11.553 18.564 22.081 423 HE2 PHE 57 HE1 PHE 57 -15.332 19.598 23.728 424 HZ PHE 57 HZ PHE 57 -12.876 19.489 23.945 425 H GLN 58 HN GLN 58 -14.756 21.208 18.436 426 HA GLN 58 HA GLN 58 -16.188 22.383 20.449 427 HB2 GLN 58 HB2 GLN 58 -15.377 23.585 17.809 428 HB3 GLN 58 HB1 GLN 58 -16.036 24.525 19.137 429 HG2 GLN 58 HG2 GLN 58 -14.157 23.850 20.546 430 HG3 GLN 58 HG1 GLN 58 -13.503 22.898 19.214 431 HE21 GLN 58 HE21 GLN 58 -11.597 24.116 19.254 432 HE22 GLN 58 HE22 GLN 58 -11.535 25.718 18.607 433 H GLN 59 HN GLN 59 -18.224 22.031 20.805 434 HA GLN 59 HA GLN 59 -20.198 21.586 18.886 435 HB2 GLN 59 HB2 GLN 59 -20.379 22.341 21.790 436 HB3 GLN 59 HB1 GLN 59 -21.773 21.886 20.817 437 HG2 GLN 59 HG2 GLN 59 -19.379 20.139 21.354 438 HG3 GLN 59 HG1 GLN 59 -20.908 20.063 22.228 439 HE21 GLN 59 HE21 GLN 59 -19.511 18.061 20.554 440 HE22 GLN 59 HE22 GLN 59 -20.666 17.597 19.365 441 H ALA 60 HN ALA 60 -19.364 24.356 20.753 442 HA ALA 60 HA ALA 60 -19.816 26.589 20.591 443 HB1 ALA 60 HB1 ALA 60 -20.668 25.975 17.752 444 HB2 ALA 60 HB2 ALA 60 -19.009 26.279 18.261 445 HB3 ALA 60 HB3 ALA 60 -20.216 27.554 18.394 446 HA PRO 61 HA PRO 61 -24.105 27.046 21.548 447 HB2 PRO 61 HB2 PRO 61 -24.565 29.677 21.151 448 HB3 PRO 61 HB1 PRO 61 -23.561 29.084 22.478 449 HG2 PRO 61 HG2 PRO 61 -22.730 30.192 19.822 450 HG3 PRO 61 HG1 PRO 61 -22.063 30.533 21.428 451 HD2 PRO 61 HD2 PRO 61 -20.895 28.813 19.697 452 HD3 PRO 61 HD1 PRO 61 -20.805 28.599 21.454 453 H ASN 62 HN ASN 62 -23.115 27.049 18.433 454 HA ASN 62 HA ASN 62 -25.844 27.146 17.433 455 HB2 ASN 62 HB2 ASN 62 -24.997 29.410 17.044 456 HB3 ASN 62 HB1 ASN 62 -23.599 28.750 16.197 457 HD21 ASN 62 HD21 ASN 62 -24.010 29.715 14.278 458 HD22 ASN 62 HD22 ASN 62 -25.350 29.308 13.267 459 H ARG 63 HN ARG 63 -25.631 24.861 17.220 460 HA ARG 63 HA ARG 63 -24.630 24.160 14.611 461 HB2 ARG 63 HB2 ARG 63 -23.063 22.532 15.165 462 HB3 ARG 63 HB1 ARG 63 -22.711 23.760 16.353 463 HG2 ARG 63 HG2 ARG 63 -24.379 21.303 16.844 464 HG3 ARG 63 HG1 ARG 63 -22.683 21.490 17.295 465 HD2 ARG 63 HD2 ARG 63 -23.328 23.387 18.751 466 HD3 ARG 63 HD1 ARG 63 -25.016 23.105 18.277 467 HE ARG 63 HE ARG 63 -24.284 20.705 19.228 468 HH11 ARG 63 HH11 ARG 63 -23.871 23.913 20.604 469 HH12 ARG 63 HH12 ARG 63 -24.033 23.373 22.238 470 HH21 ARG 63 HH21 ARG 63 -24.497 19.986 21.397 471 HH22 ARG 63 HH22 ARG 63 -24.390 21.134 22.687 472 H ARG 64 HN ARG 64 -26.006 22.670 13.687 473 HA ARG 64 HA ARG 64 -27.982 21.499 15.429 474 HB2 ARG 64 HB2 ARG 64 -27.655 21.780 12.479 475 HB3 ARG 64 HB1 ARG 64 -28.824 20.657 13.147 476 HG2 ARG 64 HG2 ARG 64 -29.741 22.817 12.496 477 HG3 ARG 64 HG1 ARG 64 -30.048 22.430 14.184 478 HD2 ARG 64 HD2 ARG 64 -27.726 24.149 13.355 479 HD3 ARG 64 HD1 ARG 64 -29.341 24.841 13.478 480 HE ARG 64 HE ARG 64 -28.074 23.481 15.799 481 HH11 ARG 64 HH11 ARG 64 -29.560 26.319 14.350 482 HH12 ARG 64 HH12 ARG 64 -29.694 27.162 15.850 483 HH21 ARG 64 HH21 ARG 64 -28.261 24.617 17.778 484 HH22 ARG 64 HH22 ARG 64 -28.953 26.200 17.794 485 H ARG 65 HN ARG 65 -25.032 20.811 14.258 486 HA ARG 65 HA ARG 65 -24.978 18.140 15.132 487 HB2 ARG 65 HB2 ARG 65 -24.577 17.029 13.004 488 HB3 ARG 65 HB1 ARG 65 -26.180 17.751 13.045 489 HG2 ARG 65 HG2 ARG 65 -25.289 19.670 11.768 490 HG3 ARG 65 HG1 ARG 65 -23.753 18.808 11.631 491 HD2 ARG 65 HD2 ARG 65 -24.951 16.938 10.600 492 HD3 ARG 65 HD1 ARG 65 -26.430 17.890 10.657 493 HE ARG 65 HE ARG 65 -24.120 18.990 9.218 494 HH11 ARG 65 HH11 ARG 65 -27.390 17.695 9.091 495 HH12 ARG 65 HH12 ARG 65 -27.583 18.043 7.411 496 HH21 ARG 65 HH21 ARG 65 -24.402 19.473 7.012 497 HH22 ARG 65 HH22 ARG 65 -25.888 19.074 6.220 498 H ILE 66 HN ILE 66 -22.786 17.128 14.547 499 HA ILE 66 HA ILE 66 -20.713 18.949 15.133 500 HB ILE 66 HB ILE 66 -19.146 17.066 14.669 501 HG12 ILE 66 HG12 ILE 66 -21.616 15.536 13.820 502 HG13 ILE 66 HG11 ILE 66 -20.368 16.099 12.736 503 HG21 ILE 66 HG21 ILE 66 -20.222 17.247 16.836 504 HG22 ILE 66 HG22 ILE 66 -19.963 15.560 16.385 505 HG23 ILE 66 HG23 ILE 66 -21.571 16.269 16.253 506 HD11 ILE 66 HD11 ILE 66 -18.722 14.708 13.838 507 HD12 ILE 66 HD12 ILE 66 -20.074 13.761 13.222 508 HD13 ILE 66 HD13 ILE 66 -19.959 14.116 14.948 509 H SER 67 HN SER 67 -21.749 17.427 12.165 510 HA SER 67 HA SER 67 -21.165 19.451 10.425 511 HB2 SER 67 HB2 SER 67 -18.765 19.050 10.988 512 HB3 SER 67 HB1 SER 67 -18.942 17.376 10.475 513 HG SER 67 HG SER 67 -19.435 19.596 8.781 514 H ARG 68 HN ARG 68 -20.970 16.010 10.932 515 HA ARG 68 HA ARG 68 -22.333 15.444 8.429 516 HB2 ARG 68 HB2 ARG 68 -20.441 14.039 8.961 517 HB3 ARG 68 HB1 ARG 68 -21.108 13.684 10.545 518 HG2 ARG 68 HG2 ARG 68 -23.091 12.914 8.755 519 HG3 ARG 68 HG1 ARG 68 -21.572 12.359 8.037 520 HD2 ARG 68 HD2 ARG 68 -22.497 10.667 9.506 521 HD3 ARG 68 HD1 ARG 68 -20.978 11.285 10.156 522 HE ARG 68 HE ARG 68 -23.665 12.009 11.142 523 HH11 ARG 68 HH11 ARG 68 -20.216 11.635 11.649 524 HH12 ARG 68 HH12 ARG 68 -20.294 11.905 13.358 525 HH21 ARG 68 HH21 ARG 68 -23.765 12.431 13.439 526 HH22 ARG 68 HH22 ARG 68 -22.309 12.373 14.372 527 H GLU 69 HN GLU 69 -24.357 14.549 8.336 528 HA GLU 69 HA GLU 69 -26.038 14.921 10.664 529 HB2 GLU 69 HB2 GLU 69 -26.793 15.748 8.506 530 HB3 GLU 69 HB1 GLU 69 -26.674 14.138 7.817 531 HG2 GLU 69 HG2 GLU 69 -28.490 13.360 9.150 532 HG3 GLU 69 HG1 GLU 69 -28.528 14.861 10.067 533 H HIS 70 HN HIS 70 -27.350 13.301 11.592 534 HA HIS 70 HA HIS 70 -26.974 10.562 10.740 535 HB2 HIS 70 HB2 HIS 70 -26.397 9.747 13.012 536 HB3 HIS 70 HB1 HIS 70 -25.151 10.782 12.342 537 HD2 HIS 70 HD2 HIS 70 -27.396 10.538 15.455 538 HE1 HIS 70 HE1 HIS 70 -25.314 14.226 15.689 539 HE2 HIS 70 HE2 HIS 70 -26.463 12.405 16.987 540 H GLY 71 HN GLY 71 -28.753 9.379 10.965 541 HA2 GLY 71 HA2 GLY 71 -31.039 10.694 12.262 542 HA3 GLY 71 HA1 GLY 71 -31.144 9.506 10.974 543 H ARG 72 HN ARG 72 -29.651 7.447 11.834 544 HA ARG 72 HA ARG 72 -30.888 6.716 14.406 545 HB2 ARG 72 HB2 ARG 72 -30.438 4.846 12.070 546 HB3 ARG 72 HB1 ARG 72 -31.228 4.466 13.587 547 HG2 ARG 72 HG2 ARG 72 -32.273 6.447 11.581 548 HG3 ARG 72 HG1 ARG 72 -32.812 4.774 11.732 549 HD2 ARG 72 HD2 ARG 72 -33.538 5.241 14.035 550 HD3 ARG 72 HD1 ARG 72 -33.015 6.916 13.851 551 HE ARG 72 HE ARG 72 -34.977 5.880 11.958 552 HH11 ARG 72 HH11 ARG 72 -34.341 7.860 14.788 553 HH12 ARG 72 HH12 ARG 72 -35.800 8.768 14.625 554 HH21 ARG 72 HH21 ARG 72 -36.894 7.072 11.747 555 HH22 ARG 72 HH22 ARG 72 -37.261 8.325 12.896 556 H THR 73 HN THR 73 -29.519 4.046 13.900 557 HA THR 73 HA THR 73 -27.253 4.621 15.533 558 HB THR 73 HB THR 73 -26.988 2.145 15.478 559 HG1 THR 73 HG1 THR 73 -28.126 0.990 14.079 560 HG21 THR 73 HG21 THR 73 -29.061 1.669 16.689 561 HG22 THR 73 HG22 THR 73 -29.785 3.132 16.020 562 HG23 THR 73 HG23 THR 73 -28.427 3.255 17.141 563 H TRP 74 HN TRP 74 -26.971 5.757 12.886 564 HA TRP 74 HA TRP 74 -24.602 4.277 12.001 565 HB2 TRP 74 HB2 TRP 74 -25.127 5.036 9.644 566 HB3 TRP 74 HB1 TRP 74 -26.170 3.781 10.295 567 HD1 TRP 74 HD1 TRP 74 -28.741 4.380 10.632 568 HE1 TRP 74 HE1 TRP 74 -30.218 6.308 9.764 569 HE3 TRP 74 HE3 TRP 74 -25.069 7.628 9.105 570 HZ2 TRP 74 HZ2 TRP 74 -29.882 8.841 8.601 571 HZ3 TRP 74 HZ3 TRP 74 -25.755 9.788 8.123 572 HH2 TRP 74 HH2 TRP 74 -28.101 10.371 7.880 573 H THR 75 HN THR 75 -22.811 5.427 11.643 574 HA THR 75 HA THR 75 -23.016 8.347 11.487 575 HB THR 75 HB THR 75 -21.171 6.806 13.332 576 HG1 THR 75 HG1 THR 75 -23.554 7.500 13.783 577 HG21 THR 75 HG21 THR 75 -20.285 8.980 14.040 578 HG22 THR 75 HG22 THR 75 -21.296 9.807 12.861 579 HG23 THR 75 HG23 THR 75 -19.998 8.742 12.321 580 H LYS 76 HN LYS 76 -22.016 8.997 9.695 581 HA LYS 76 HA LYS 76 -19.990 7.343 8.443 582 HB2 LYS 76 HB2 LYS 76 -21.689 8.456 7.024 583 HB3 LYS 76 HB1 LYS 76 -21.128 10.025 7.570 584 HG2 LYS 76 HG2 LYS 76 -18.962 9.638 6.508 585 HG3 LYS 76 HG1 LYS 76 -19.491 8.035 6.003 586 HD2 LYS 76 HD2 LYS 76 -19.718 9.507 4.124 587 HD3 LYS 76 HD1 LYS 76 -21.337 9.135 4.713 588 HE2 LYS 76 HE2 LYS 76 -21.411 11.277 5.885 589 HE3 LYS 76 HE1 LYS 76 -19.774 11.641 5.339 590 HZ1 LYS 76 HZ1 LYS 76 -22.165 11.291 3.608 591 HZ2 LYS 76 HZ2 LYS 76 -20.600 11.565 3.043 592 HZ3 LYS 76 HZ3 LYS 76 -21.390 12.752 3.948 593 H LEU 77 HN LEU 77 -17.932 7.522 8.971 594 HA LEU 77 HA LEU 77 -17.054 10.003 10.282 595 HB2 LEU 77 HB2 LEU 77 -16.957 7.719 11.482 596 HB3 LEU 77 HB1 LEU 77 -15.652 7.328 10.385 597 HG LEU 77 HG LEU 77 -15.576 9.675 12.294 598 HD11 LEU 77 HD11 LEU 77 -15.790 7.568 13.511 599 HD12 LEU 77 HD12 LEU 77 -14.207 8.313 13.742 600 HD13 LEU 77 HD13 LEU 77 -14.384 6.935 12.655 601 HD21 LEU 77 HD21 LEU 77 -14.041 9.838 10.380 602 HD22 LEU 77 HD22 LEU 77 -13.372 8.259 10.789 603 HD23 LEU 77 HD23 LEU 77 -13.172 9.615 11.899 604 H THR 78 HN THR 78 -15.702 11.256 9.184 605 HA THR 78 HA THR 78 -14.553 10.230 6.709 606 HB THR 78 HB THR 78 -14.676 13.076 7.733 607 HG1 THR 78 HG1 THR 78 -16.634 11.554 6.922 608 HG21 THR 78 HG21 THR 78 -14.241 13.676 5.390 609 HG22 THR 78 HG22 THR 78 -14.140 11.968 4.964 610 HG23 THR 78 HG23 THR 78 -12.932 12.683 6.032 611 H TYR 79 HN TYR 79 -12.764 9.103 7.336 612 HA TYR 79 HA TYR 79 -10.911 10.035 9.268 613 HB2 TYR 79 HB2 TYR 79 -10.775 7.863 7.193 614 HB3 TYR 79 HB1 TYR 79 -9.411 8.246 8.233 615 HD1 TYR 79 HD2 TYR 79 -9.641 7.970 10.703 616 HD2 TYR 79 HD1 TYR 79 -12.611 6.573 7.995 617 HE1 TYR 79 HE2 TYR 79 -10.554 6.522 12.466 618 HE2 TYR 79 HE1 TYR 79 -13.526 5.118 9.751 619 HH TYR 79 HH TYR 79 -12.864 4.071 11.802 620 H ALA 80 HN ALA 80 -11.009 10.135 5.752 621 HA ALA 80 HA ALA 80 -9.926 11.376 4.200 622 HB1 ALA 80 HB1 ALA 80 -8.761 12.967 6.482 623 HB2 ALA 80 HB2 ALA 80 -10.305 13.301 5.699 624 HB3 ALA 80 HB3 ALA 80 -8.803 13.441 4.785 625 H ASN 81 HN ASN 81 -7.847 10.594 6.960 626 HA ASN 81 HA ASN 81 -5.520 10.266 5.330 627 HB2 ASN 81 HB2 ASN 81 -4.616 9.089 7.462 628 HB3 ASN 81 HB1 ASN 81 -4.963 10.805 7.539 629 HD21 ASN 81 HD21 ASN 81 -7.436 8.296 7.637 630 HD22 ASN 81 HD22 ASN 81 -7.889 8.580 9.282 631 H HIS 82 HN HIS 82 -4.850 8.585 4.231 632 HA HIS 82 HA HIS 82 -6.613 6.433 3.717 633 HB2 HIS 82 HB2 HIS 82 -5.097 7.387 2.026 634 HB3 HIS 82 HB1 HIS 82 -3.718 6.749 2.910 635 HD2 HIS 82 HD2 HIS 82 -6.827 5.261 0.959 636 HE1 HIS 82 HE1 HIS 82 -3.615 2.499 0.843 637 HE2 HIS 82 HE2 HIS 82 -5.809 3.177 -0.169 638 H SER 83 HN SER 83 -3.667 6.677 5.646 639 HA SER 83 HA SER 83 -3.196 3.938 5.990 640 HB2 SER 83 HB2 SER 83 -1.540 5.675 6.548 641 HB3 SER 83 HB1 SER 83 -2.550 6.206 7.892 642 HG SER 83 HG SER 83 -1.282 3.694 7.569 643 H SER 84 HN SER 84 -5.134 6.177 7.960 644 HA SER 84 HA SER 84 -5.847 4.120 9.826 645 HB2 SER 84 HB2 SER 84 -7.061 6.870 9.457 646 HB3 SER 84 HB1 SER 84 -7.257 5.818 10.859 647 HG SER 84 HG SER 84 -5.635 7.387 11.224 648 H TYR 85 HN TYR 85 -6.997 5.142 6.776 649 HA TYR 85 HA TYR 85 -9.723 4.491 6.941 650 HB2 TYR 85 HB2 TYR 85 -8.911 5.723 5.038 651 HB3 TYR 85 HB1 TYR 85 -7.805 4.429 4.607 652 HD1 TYR 85 HD1 TYR 85 -11.404 5.311 4.804 653 HD2 TYR 85 HD2 TYR 85 -8.492 2.695 3.152 654 HE1 TYR 85 HE1 TYR 85 -13.105 4.389 3.280 655 HE2 TYR 85 HE2 TYR 85 -10.178 1.759 1.630 656 HH TYR 85 HH TYR 85 -12.598 1.537 1.464 657 H LEU 86 HN LEU 86 -6.935 2.507 6.018 658 HA LEU 86 HA LEU 86 -8.361 0.149 5.446 659 HB2 LEU 86 HB2 LEU 86 -5.523 0.690 6.239 660 HB3 LEU 86 HB1 LEU 86 -6.097 -0.954 6.083 661 HG LEU 86 HG LEU 86 -4.980 -0.392 4.076 662 HD11 LEU 86 HD11 LEU 86 -7.936 -0.190 3.539 663 HD12 LEU 86 HD12 LEU 86 -7.044 -1.683 3.817 664 HD13 LEU 86 HD13 LEU 86 -6.694 -0.698 2.399 665 HD21 LEU 86 HD21 LEU 86 -6.724 2.055 3.960 666 HD22 LEU 86 HD22 LEU 86 -5.653 1.517 2.666 667 HD23 LEU 86 HD23 LEU 86 -4.981 2.007 4.220 668 H ARG 87 HN ARG 87 -6.984 1.396 8.383 669 HA ARG 87 HA ARG 87 -7.326 -0.834 10.028 670 HB2 ARG 87 HB2 ARG 87 -5.966 1.144 10.596 671 HB3 ARG 87 HB1 ARG 87 -7.434 2.089 10.775 672 HG2 ARG 87 HG2 ARG 87 -8.109 0.782 12.679 673 HG3 ARG 87 HG1 ARG 87 -6.749 -0.318 12.450 674 HD2 ARG 87 HD2 ARG 87 -6.510 2.631 13.037 675 HD3 ARG 87 HD1 ARG 87 -6.359 1.346 14.239 676 HE ARG 87 HE ARG 87 -4.569 0.782 12.188 677 HH11 ARG 87 HH11 ARG 87 -5.017 3.268 14.625 678 HH12 ARG 87 HH12 ARG 87 -3.333 3.635 14.750 679 HH21 ARG 87 HH21 ARG 87 -2.338 1.283 12.332 680 HH22 ARG 87 HH22 ARG 87 -1.806 2.499 13.444 681 H ALA 88 HN ALA 88 -9.597 1.567 8.914 682 HA ALA 88 HA ALA 88 -11.647 0.995 10.828 683 HB1 ALA 88 HB1 ALA 88 -13.062 2.403 9.447 684 HB2 ALA 88 HB2 ALA 88 -11.862 2.375 8.156 685 HB3 ALA 88 HB3 ALA 88 -11.489 3.160 9.690 686 H LEU 89 HN LEU 89 -10.547 -0.660 8.093 687 HA LEU 89 HA LEU 89 -13.063 -1.772 7.271 688 HB2 LEU 89 HB2 LEU 89 -10.228 -2.193 6.460 689 HB3 LEU 89 HB1 LEU 89 -11.397 -3.434 6.066 690 HG LEU 89 HG LEU 89 -11.023 -1.910 4.189 691 HD11 LEU 89 HD11 LEU 89 -13.187 -2.985 4.399 692 HD12 LEU 89 HD12 LEU 89 -13.350 -1.376 3.693 693 HD13 LEU 89 HD13 LEU 89 -13.775 -1.644 5.382 694 HD21 LEU 89 HD21 LEU 89 -10.477 0.112 5.435 695 HD22 LEU 89 HD22 LEU 89 -12.144 0.225 5.998 696 HD23 LEU 89 HD23 LEU 89 -11.777 0.407 4.282 697 H ARG 90 HN ARG 90 -11.329 -2.289 9.952 698 HA ARG 90 HA ARG 90 -11.083 -5.079 10.236 699 HB2 ARG 90 HB2 ARG 90 -10.869 -4.635 12.639 700 HB3 ARG 90 HB1 ARG 90 -9.899 -3.536 11.672 701 HG2 ARG 90 HG2 ARG 90 -11.534 -1.776 11.990 702 HG3 ARG 90 HG1 ARG 90 -12.570 -2.881 12.897 703 HD2 ARG 90 HD2 ARG 90 -9.756 -2.130 13.688 704 HD3 ARG 90 HD1 ARG 90 -11.208 -1.362 14.329 705 HE ARG 90 HE ARG 90 -11.511 -4.093 14.727 706 HH11 ARG 90 HH11 ARG 90 -9.291 -1.584 15.794 707 HH12 ARG 90 HH12 ARG 90 -8.995 -2.322 17.324 708 HH21 ARG 90 HH21 ARG 90 -11.078 -5.086 16.746 709 HH22 ARG 90 HH22 ARG 90 -10.007 -4.314 17.865 710 H GLU 91 HN GLU 91 -13.765 -4.538 9.241 711 HA GLU 91 HA GLU 91 -15.585 -5.161 11.416 712 HB2 GLU 91 HB2 GLU 91 -16.343 -3.819 9.461 713 HB3 GLU 91 HB1 GLU 91 -16.055 -5.206 8.420 714 HG2 GLU 91 HG2 GLU 91 -17.719 -6.477 9.782 715 HG3 GLU 91 HG1 GLU 91 -18.091 -4.971 10.618 716 H HIS 92 HN HIS 92 -14.295 -7.045 12.067 717 HA HIS 92 HA HIS 92 -15.274 -9.430 10.677 718 HB2 HIS 92 HB2 HIS 92 -12.420 -9.037 11.618 719 HB3 HIS 92 HB1 HIS 92 -13.090 -10.573 11.085 720 HD2 HIS 92 HD2 HIS 92 -13.567 -10.753 8.294 721 HE1 HIS 92 HE1 HIS 92 -11.459 -7.204 7.344 722 HE2 HIS 92 HE2 HIS 92 -12.770 -9.141 6.441 723 H GLY 93 HN GLY 93 -13.211 -8.771 13.491 724 HA2 GLY 93 HA2 GLY 93 -15.207 -10.220 15.117 725 HA3 GLY 93 HA1 GLY 93 -13.476 -10.412 15.343 726 H THR 94 HN THR 94 -14.915 -7.335 14.624 727 HA THR 94 HA THR 94 -13.954 -6.366 17.187 728 HB THR 94 HB THR 94 -15.039 -4.759 14.858 729 HG1 THR 94 HG1 THR 94 -13.167 -5.402 14.033 730 HG21 THR 94 HG21 THR 94 -15.133 -3.572 17.003 731 HG22 THR 94 HG22 THR 94 -13.883 -2.882 15.968 732 HG23 THR 94 HG23 THR 94 -13.435 -3.947 17.298 733 H ILE 95 HN ILE 95 -15.451 -7.044 18.642 734 HA ILE 95 HA ILE 95 -18.178 -5.983 18.347 735 HB ILE 95 HB ILE 95 -17.183 -8.367 19.924 736 HG12 ILE 95 HG12 ILE 95 -19.255 -8.203 17.737 737 HG13 ILE 95 HG11 ILE 95 -17.568 -8.636 17.457 738 HG21 ILE 95 HG21 ILE 95 -19.497 -8.701 20.661 739 HG22 ILE 95 HG22 ILE 95 -19.960 -7.188 19.884 740 HG23 ILE 95 HG23 ILE 95 -18.847 -7.170 21.250 741 HD11 ILE 95 HD11 ILE 95 -17.849 -10.595 18.897 742 HD12 ILE 95 HD12 ILE 95 -18.992 -10.602 17.553 743 HD13 ILE 95 HD13 ILE 95 -19.532 -10.145 19.169 744 H TYR 96 HN TYR 96 -18.789 -4.446 19.698 745 HA TYR 96 HA TYR 96 -17.337 -4.106 22.226 746 HB2 TYR 96 HB2 TYR 96 -16.549 -2.474 20.442 747 HB3 TYR 96 HB1 TYR 96 -18.174 -1.799 20.451 748 HD1 TYR 96 HD2 TYR 96 -18.991 -0.568 22.435 749 HD2 TYR 96 HD1 TYR 96 -15.019 -2.055 22.222 750 HE1 TYR 96 HE2 TYR 96 -18.364 0.864 24.326 751 HE2 TYR 96 HE1 TYR 96 -14.370 -0.629 24.113 752 HH TYR 96 HH TYR 96 -16.605 0.879 26.114 753 H CYS 97 HN CYS 97 -18.629 -3.689 23.938 754 HA CYS 97 HA CYS 97 -20.477 -3.421 25.217 755 HB2 CYS 97 HB2 CYS 97 -20.621 -1.240 23.975 756 HB3 CYS 97 HB1 CYS 97 -21.704 -2.012 22.828 757 HG CYS 97 HG CYS 97 -23.467 -2.707 25.088 758 H GLY 98 HN GLY 98 -20.175 -5.621 23.111 759 HA2 GLY 98 HA2 GLY 98 -21.348 -7.658 23.093 760 HA3 GLY 98 HA1 GLY 98 -22.781 -6.814 23.655 761 H ALA 99 HN ALA 99 -21.414 -5.120 21.111 762 HA ALA 99 HA ALA 99 -23.018 -6.578 19.126 763 HB1 ALA 99 HB1 ALA 99 -22.926 -3.587 19.454 764 HB2 ALA 99 HB2 ALA 99 -24.274 -4.628 19.913 765 HB3 ALA 99 HB3 ALA 99 -23.813 -4.476 18.216 766 H ALA 100 HN ALA 100 -22.250 -6.539 17.032 767 HA ALA 100 HA ALA 100 -19.430 -5.878 16.775 768 HB1 ALA 100 HB1 ALA 100 -19.532 -7.048 14.641 769 HB2 ALA 100 HB2 ALA 100 -21.288 -7.189 14.782 770 HB3 ALA 100 HB3 ALA 100 -20.242 -8.045 15.914 771 H ILE 101 HN ILE 101 -18.730 -4.064 15.883 772 HA ILE 101 HA ILE 101 -20.688 -2.262 14.769 773 HB ILE 101 HB ILE 101 -18.876 -0.587 14.716 774 HG12 ILE 101 HG12 ILE 101 -17.154 -2.737 15.977 775 HG13 ILE 101 HG11 ILE 101 -16.999 -2.185 14.314 776 HG21 ILE 101 HG21 ILE 101 -20.244 -0.811 16.713 777 HG22 ILE 101 HG22 ILE 101 -18.589 -0.375 17.146 778 HG23 ILE 101 HG23 ILE 101 -19.144 -2.035 17.350 779 HD11 ILE 101 HD11 ILE 101 -16.620 -0.478 16.765 780 HD12 ILE 101 HD12 ILE 101 -16.416 0.041 15.091 781 HD13 ILE 101 HD13 ILE 101 -15.332 -1.169 15.777 782 H GLY 102 HN GLY 102 -20.928 -1.738 12.713 783 HA2 GLY 102 HA2 GLY 102 -19.350 -3.268 10.773 784 HA3 GLY 102 HA1 GLY 102 -20.936 -2.566 10.482 785 H CYS 103 HN CYS 103 -18.395 -2.331 9.008 786 HA CYS 103 HA CYS 103 -18.365 0.582 8.824 787 HB2 CYS 103 HB2 CYS 103 -15.848 -1.073 9.094 788 HB3 CYS 103 HB1 CYS 103 -15.910 0.656 8.776 789 HG CYS 103 HG CYS 103 -17.634 -0.010 11.482 790 H VAL 104 HN VAL 104 -18.947 0.907 6.791 791 HA VAL 104 HA VAL 104 -17.731 -0.784 4.702 792 HB VAL 104 HB VAL 104 -19.733 -0.388 3.304 793 HG11 VAL 104 HG11 VAL 104 -21.279 -1.837 4.519 794 HG12 VAL 104 HG12 VAL 104 -20.368 -1.564 6.005 795 HG13 VAL 104 HG13 VAL 104 -19.618 -2.410 4.653 796 HG21 VAL 104 HG21 VAL 104 -21.747 0.578 4.266 797 HG22 VAL 104 HG22 VAL 104 -20.425 1.745 4.285 798 HG23 VAL 104 HG23 VAL 104 -20.888 0.910 5.769 799 HA PRO 105 HA PRO 105 -16.070 2.927 2.923 800 HB2 PRO 105 HB2 PRO 105 -15.867 2.244 0.325 801 HB3 PRO 105 HB1 PRO 105 -14.869 1.479 1.569 802 HG2 PRO 105 HG2 PRO 105 -17.381 0.476 0.280 803 HG3 PRO 105 HG1 PRO 105 -15.868 -0.390 0.602 804 HD2 PRO 105 HD2 PRO 105 -18.045 -0.611 2.201 805 HD3 PRO 105 HD1 PRO 105 -16.387 -0.732 2.822 806 H TYR 106 HN TYR 106 -18.793 3.210 3.373 807 HA TYR 106 HA TYR 106 -20.652 4.359 2.860 808 HB2 TYR 106 HB2 TYR 106 -19.014 6.183 2.584 809 HB3 TYR 106 HB1 TYR 106 -18.883 5.784 0.875 810 HD1 TYR 106 HD1 TYR 106 -21.076 7.164 3.479 811 HD2 TYR 106 HD2 TYR 106 -20.593 6.465 -0.688 812 HE1 TYR 106 HE1 TYR 106 -22.971 8.651 3.026 813 HE2 TYR 106 HE2 TYR 106 -22.496 7.951 -1.163 814 HH TYR 106 HH TYR 106 -23.844 10.021 1.160 815 H LYS 107 HN LYS 107 -22.290 3.357 1.975 816 HA LYS 107 HA LYS 107 -22.214 2.838 -0.911 817 HB2 LYS 107 HB2 LYS 107 -23.403 1.129 1.275 818 HB3 LYS 107 HB1 LYS 107 -23.685 0.860 -0.439 819 HG2 LYS 107 HG2 LYS 107 -21.300 0.484 -0.780 820 HG3 LYS 107 HG1 LYS 107 -21.005 0.778 0.934 821 HD2 LYS 107 HD2 LYS 107 -22.407 -1.151 1.498 822 HD3 LYS 107 HD1 LYS 107 -22.695 -1.439 -0.219 823 HE2 LYS 107 HE2 LYS 107 -20.309 -1.793 -0.566 824 HE3 LYS 107 HE1 LYS 107 -20.008 -1.484 1.144 825 HZ1 LYS 107 HZ1 LYS 107 -20.053 -3.833 0.729 826 HZ2 LYS 107 HZ2 LYS 107 -21.577 -3.731 0.012 827 HZ3 LYS 107 HZ3 LYS 107 -21.401 -3.416 1.660 828 H HIS 108 HN HIS 108 -23.860 3.679 -2.044 829 HA HIS 108 HA HIS 108 -25.625 5.479 -0.797 830 HB2 HIS 108 HB2 HIS 108 -26.594 5.835 -3.007 831 HB3 HIS 108 HB1 HIS 108 -24.843 5.799 -3.106 832 HD2 HIS 108 HD2 HIS 108 -27.921 3.712 -4.315 833 HE1 HIS 108 HE1 HIS 108 -24.447 2.213 -6.221 834 HE2 HIS 108 HE2 HIS 108 -26.946 2.014 -5.990 835 H GLU 109 HN GLU 109 -25.980 2.147 -1.817 836 HA GLU 109 HA GLU 109 -28.795 2.039 -1.581 837 HB2 GLU 109 HB2 GLU 109 -27.536 0.324 -2.797 838 HB3 GLU 109 HB1 GLU 109 -26.778 -0.195 -1.297 839 HG2 GLU 109 HG2 GLU 109 -28.924 -0.895 -0.420 840 HG3 GLU 109 HG1 GLU 109 -29.730 -0.304 -1.871 841 H LEU 110 HN LEU 110 -26.162 1.518 0.688 842 HA LEU 110 HA LEU 110 -27.690 0.554 2.837 843 HB2 LEU 110 HB2 LEU 110 -25.261 0.415 2.835 844 HB3 LEU 110 HB1 LEU 110 -25.131 2.162 2.832 845 HG LEU 110 HG LEU 110 -26.231 2.178 5.085 846 HD11 LEU 110 HD11 LEU 110 -26.239 0.091 6.363 847 HD12 LEU 110 HD12 LEU 110 -25.782 -0.799 4.913 848 HD13 LEU 110 HD13 LEU 110 -27.343 0.020 4.990 849 HD21 LEU 110 HD21 LEU 110 -23.667 0.617 4.868 850 HD22 LEU 110 HD22 LEU 110 -24.226 1.510 6.281 851 HD23 LEU 110 HD23 LEU 110 -23.807 2.372 4.800 852 H ILE 111 HN ILE 111 -26.812 3.821 1.833 853 HA ILE 111 HA ILE 111 -27.962 5.201 3.990 854 HB ILE 111 HB ILE 111 -27.712 6.163 1.128 855 HG12 ILE 111 HG12 ILE 111 -25.548 5.368 1.960 856 HG13 ILE 111 HG11 ILE 111 -25.544 7.120 1.814 857 HG21 ILE 111 HG21 ILE 111 -27.917 7.707 3.715 858 HG22 ILE 111 HG22 ILE 111 -29.157 7.586 2.469 859 HG23 ILE 111 HG23 ILE 111 -27.635 8.411 2.122 860 HD11 ILE 111 HD11 ILE 111 -25.860 5.541 4.359 861 HD12 ILE 111 HD12 ILE 111 -25.899 7.300 4.237 862 HD13 ILE 111 HD13 ILE 111 -24.424 6.421 3.839 863 H SER 112 HN SER 112 -29.284 4.178 0.865 864 HA SER 112 HA SER 112 -31.824 5.355 1.143 865 HB2 SER 112 HB2 SER 112 -31.113 2.804 -0.330 866 HB3 SER 112 HB1 SER 112 -32.528 3.818 -0.614 867 HG SER 112 HG SER 112 -30.020 5.037 -0.768 868 H GLU 113 HN GLU 113 -30.633 2.131 2.030 869 HA GLU 113 HA GLU 113 -33.090 1.143 2.995 870 HB2 GLU 113 HB2 GLU 113 -30.243 0.382 3.667 871 HB3 GLU 113 HB1 GLU 113 -31.654 -0.522 4.202 872 HG2 GLU 113 HG2 GLU 113 -31.010 -0.000 1.310 873 HG3 GLU 113 HG1 GLU 113 -30.491 -1.440 2.178 874 H LEU 114 HN LEU 114 -30.401 2.797 4.600 875 HA LEU 114 HA LEU 114 -31.349 2.594 7.226 876 HB2 LEU 114 HB2 LEU 114 -29.551 4.597 5.919 877 HB3 LEU 114 HB1 LEU 114 -29.872 4.563 7.641 878 HG LEU 114 HG LEU 114 -28.621 2.302 6.086 879 HD11 LEU 114 HD11 LEU 114 -27.387 4.347 7.895 880 HD12 LEU 114 HD12 LEU 114 -27.182 4.246 6.147 881 HD13 LEU 114 HD13 LEU 114 -26.552 2.964 7.188 882 HD21 LEU 114 HD21 LEU 114 -28.063 1.430 8.314 883 HD22 LEU 114 HD22 LEU 114 -29.804 1.522 8.059 884 HD23 LEU 114 HD23 LEU 114 -28.990 2.736 9.049 885 H SER 115 HN SER 115 -31.834 5.123 4.762 886 HA SER 115 HA SER 115 -33.255 6.827 6.519 887 HB2 SER 115 HB2 SER 115 -33.940 7.982 4.356 888 HB3 SER 115 HB1 SER 115 -32.212 7.880 4.679 889 HG SER 115 HG SER 115 -32.008 6.311 3.167 890 H ARG 116 HN ARG 116 -34.249 4.334 4.246 891 HA ARG 116 HA ARG 116 -37.028 4.842 4.358 892 HB2 ARG 116 HB2 ARG 116 -35.455 2.354 3.694 893 HB3 ARG 116 HB1 ARG 116 -37.207 2.438 3.579 894 HG2 ARG 116 HG2 ARG 116 -37.066 4.170 1.917 895 HG3 ARG 116 HG1 ARG 116 -35.310 4.236 2.087 896 HD2 ARG 116 HD2 ARG 116 -35.162 1.917 1.308 897 HD3 ARG 116 HD1 ARG 116 -36.914 1.873 1.122 898 HE ARG 116 HE ARG 116 -36.186 3.993 -0.391 899 HH11 ARG 116 HH11 ARG 116 -35.072 0.663 -0.286 900 HH12 ARG 116 HH12 ARG 116 -34.702 0.597 -1.971 901 HH21 ARG 116 HH21 ARG 116 -35.673 3.918 -2.621 902 HH22 ARG 116 HH22 ARG 116 -35.021 2.468 -3.311 903 H GLU 117 HN GLU 117 -34.882 2.786 6.255 904 HA GLU 117 HA GLU 117 -35.128 1.521 8.125 905 HB2 GLU 117 HB2 GLU 117 -36.018 2.678 10.072 906 HB3 GLU 117 HB1 GLU 117 -35.074 3.781 9.087 907 HG2 GLU 117 HG2 GLU 117 -37.067 4.803 8.234 908 HG3 GLU 117 HG1 GLU 117 -38.080 3.618 9.051 909 H GLY 118 HN GLY 118 -37.176 0.989 6.070 910 HA2 GLY 118 HA2 GLY 118 -38.842 -0.673 7.703 911 HA3 GLY 118 HA1 GLY 118 -39.700 0.609 6.854 912 H HIS 119 HN HIS 119 -39.498 -2.399 6.629 913 HA HIS 119 HA HIS 119 -39.230 -2.418 3.711 914 HB2 HIS 119 HB2 HIS 119 -38.174 -4.520 5.609 915 HB3 HIS 119 HB1 HIS 119 -38.302 -4.738 3.868 916 HD2 HIS 119 HD2 HIS 119 -36.501 -3.130 2.347 917 HE1 HIS 119 HE1 HIS 119 -34.034 -2.188 5.660 918 HE2 HIS 119 HE2 HIS 119 -34.158 -2.407 3.157 919 H HIS 120 HN HIS 120 -40.570 -3.914 2.629 920 HA HIS 120 HA HIS 120 -43.018 -4.417 4.125 921 HB2 HIS 120 HB2 HIS 120 -42.473 -4.571 1.152 922 HB3 HIS 120 HB1 HIS 120 -44.047 -4.774 1.912 923 HD2 HIS 120 HD2 HIS 120 -45.045 -2.327 3.136 924 HE1 HIS 120 HE1 HIS 120 -42.563 0.149 0.750 925 HE2 HIS 120 HE2 HIS 120 -44.389 0.080 2.476 926 H HIS 121 HN HIS 121 -42.876 -6.274 5.209 927 HA HIS 121 HA HIS 121 -42.554 -8.744 3.639 928 HB2 HIS 121 HB2 HIS 121 -41.286 -8.173 6.333 929 HB3 HIS 121 HB1 HIS 121 -41.431 -9.785 5.652 930 HD2 HIS 121 HD2 HIS 121 -39.165 -6.679 5.413 931 HE1 HIS 121 HE1 HIS 121 -37.761 -9.511 2.591 932 HE2 HIS 121 HE2 HIS 121 -37.202 -7.459 3.921 933 H HIS 122 HN HIS 122 -44.825 -7.165 4.643 934 HA HIS 122 HA HIS 122 -45.886 -8.305 6.998 935 HB2 HIS 122 HB2 HIS 122 -46.597 -6.116 6.186 936 HB3 HIS 122 HB1 HIS 122 -47.277 -6.853 4.742 937 HD2 HIS 122 HD2 HIS 122 -49.895 -7.549 4.974 938 HE1 HIS 122 HE1 HIS 122 -50.210 -7.213 9.184 939 HE2 HIS 122 HE2 HIS 122 -51.395 -7.824 7.053 940 H HIS 123 HN HIS 123 -47.137 -8.712 3.663 941 HA HIS 123 HA HIS 123 -47.373 -11.536 3.946 942 HB2 HIS 123 HB2 HIS 123 -49.261 -10.780 5.409 943 HB3 HIS 123 HB1 HIS 123 -49.970 -9.973 4.018 944 HD2 HIS 123 HD2 HIS 123 -51.400 -11.625 2.301 945 HE1 HIS 123 HE1 HIS 123 -50.678 -15.233 4.403 946 HE2 HIS 123 HE2 HIS 123 -52.050 -14.102 2.626 947 H HIS 124 HN HIS 124 -47.760 -12.515 1.997 948 HA HIS 124 HA HIS 124 -47.527 -10.875 -0.341 949 HB2 HIS 124 HB2 HIS 124 -46.435 -13.089 -0.150 950 HB3 HIS 124 HB1 HIS 124 -48.015 -13.854 -0.096 951 HD2 HIS 124 HD2 HIS 124 -49.337 -14.035 -2.581 952 HE1 HIS 124 HE1 HIS 124 -46.064 -12.615 -4.870 953 HE2 HIS 124 HE2 HIS 124 -48.428 -13.464 -4.930 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -27.463 11.320 -21.163 2 H2 MET 1 HT2 MET 1 -27.999 12.133 -19.785 3 H3 MET 1 HT3 MET 1 -29.077 11.188 -20.679 4 HA MET 1 HA MET 1 -28.394 10.101 -18.643 5 HB2 MET 1 HB2 MET 1 -27.341 8.820 -21.173 6 HB3 MET 1 HB1 MET 1 -27.647 7.967 -19.667 7 HG2 MET 1 HG2 MET 1 -29.693 9.359 -21.376 8 HG3 MET 1 HG1 MET 1 -29.455 7.620 -21.240 9 HE1 MET 1 HE1 MET 1 -30.082 6.192 -19.126 10 HE2 MET 1 HE2 MET 1 -30.635 6.875 -17.598 11 HE3 MET 1 HE3 MET 1 -28.982 7.159 -18.144 12 H SER 2 HN SER 2 -26.897 10.906 -17.266 13 HA SER 2 HA SER 2 -24.106 10.966 -18.076 14 HB2 SER 2 HB2 SER 2 -25.427 11.874 -15.508 15 HB3 SER 2 HB1 SER 2 -23.735 12.131 -15.941 16 HG SER 2 HG SER 2 -24.920 13.079 -17.967 17 H LEU 3 HN LEU 3 -22.769 9.386 -17.687 18 HA LEU 3 HA LEU 3 -23.489 6.993 -16.389 19 HB2 LEU 3 HB2 LEU 3 -21.880 7.090 -18.219 20 HB3 LEU 3 HB1 LEU 3 -20.777 8.018 -17.226 21 HG LEU 3 HG LEU 3 -20.456 6.085 -15.749 22 HD11 LEU 3 HD11 LEU 3 -22.274 4.642 -17.671 23 HD12 LEU 3 HD12 LEU 3 -22.645 5.046 -15.995 24 HD13 LEU 3 HD13 LEU 3 -21.360 3.897 -16.360 25 HD21 LEU 3 HD21 LEU 3 -20.073 5.432 -18.667 26 HD22 LEU 3 HD22 LEU 3 -19.218 4.687 -17.317 27 HD23 LEU 3 HD23 LEU 3 -18.984 6.397 -17.673 28 H GLY 4 HN GLY 4 -21.534 9.743 -15.322 29 HA2 GLY 4 HA2 GLY 4 -20.454 8.591 -13.001 30 HA3 GLY 4 HA1 GLY 4 -20.675 10.311 -13.273 31 H SER 5 HN SER 5 -21.214 8.144 -11.070 32 HA SER 5 HA SER 5 -24.000 8.638 -10.479 33 HB2 SER 5 HB2 SER 5 -23.447 7.208 -8.450 34 HB3 SER 5 HB1 SER 5 -23.246 6.425 -10.020 35 HG SER 5 HG SER 5 -21.454 6.494 -8.197 36 H GLU 6 HN GLU 6 -24.566 9.302 -8.179 37 HA GLU 6 HA GLU 6 -23.032 11.694 -7.512 38 HB2 GLU 6 HB2 GLU 6 -24.932 12.321 -6.114 39 HB3 GLU 6 HB1 GLU 6 -25.484 11.895 -7.726 40 HG2 GLU 6 HG2 GLU 6 -25.504 9.848 -5.548 41 HG3 GLU 6 HG1 GLU 6 -26.786 11.052 -5.641 42 H SER 7 HN SER 7 -22.564 8.700 -6.821 43 HA SER 7 HA SER 7 -21.843 9.181 -4.046 44 HB2 SER 7 HB2 SER 7 -23.907 7.775 -4.129 45 HB3 SER 7 HB1 SER 7 -23.021 6.584 -5.082 46 HG SER 7 HG SER 7 -22.185 7.463 -2.522 47 H GLU 8 HN GLU 8 -19.781 9.461 -4.455 48 HA GLU 8 HA GLU 8 -18.349 7.435 -6.007 49 HB2 GLU 8 HB2 GLU 8 -17.614 10.260 -5.258 50 HB3 GLU 8 HB1 GLU 8 -16.546 9.154 -6.105 51 HG2 GLU 8 HG2 GLU 8 -18.033 9.055 -7.987 52 HG3 GLU 8 HG1 GLU 8 -19.235 10.018 -7.130 53 H THR 9 HN THR 9 -19.136 8.001 -2.976 54 HA THR 9 HA THR 9 -18.496 7.153 -0.982 55 HB THR 9 HB THR 9 -16.203 5.895 -2.504 56 HG1 THR 9 HG1 THR 9 -18.724 4.862 -1.639 57 HG21 THR 9 HG21 THR 9 -16.003 4.391 -0.577 58 HG22 THR 9 HG22 THR 9 -17.274 5.284 0.261 59 HG23 THR 9 HG23 THR 9 -15.731 6.064 -0.091 60 H GLY 10 HN GLY 10 -15.535 8.099 -2.680 61 HA2 GLY 10 HA2 GLY 10 -13.939 9.674 -2.143 62 HA3 GLY 10 HA1 GLY 10 -15.068 10.331 -0.968 63 H ASN 11 HN ASN 11 -13.702 10.604 0.725 64 HA ASN 11 HA ASN 11 -12.145 8.293 1.675 65 HB2 ASN 11 HB2 ASN 11 -11.193 10.719 1.268 66 HB3 ASN 11 HB1 ASN 11 -11.929 11.068 2.821 67 HD21 ASN 11 HD21 ASN 11 -11.347 8.433 3.931 68 HD22 ASN 11 HD22 ASN 11 -9.636 8.402 4.218 69 H ALA 12 HN ALA 12 -15.126 9.150 1.983 70 HA ALA 12 HA ALA 12 -15.310 9.249 4.894 71 HB1 ALA 12 HB1 ALA 12 -16.652 10.844 3.603 72 HB2 ALA 12 HB2 ALA 12 -17.668 9.755 4.547 73 HB3 ALA 12 HB3 ALA 12 -17.479 9.502 2.813 74 H VAL 13 HN VAL 13 -16.177 7.669 6.119 75 HA VAL 13 HA VAL 13 -17.159 5.263 4.752 76 HB VAL 13 HB VAL 13 -16.224 3.888 6.596 77 HG11 VAL 13 HG11 VAL 13 -14.176 5.541 5.132 78 HG12 VAL 13 HG12 VAL 13 -14.958 4.073 4.545 79 HG13 VAL 13 HG13 VAL 13 -13.863 3.997 5.926 80 HG21 VAL 13 HG21 VAL 13 -14.542 4.842 8.110 81 HG22 VAL 13 HG22 VAL 13 -16.127 5.583 8.336 82 HG23 VAL 13 HG23 VAL 13 -14.868 6.446 7.451 83 H VAL 14 HN VAL 14 -18.631 3.997 6.077 84 HA VAL 14 HA VAL 14 -20.110 5.739 7.922 85 HB VAL 14 HB VAL 14 -21.210 3.514 6.183 86 HG11 VAL 14 HG11 VAL 14 -22.433 3.712 8.277 87 HG12 VAL 14 HG12 VAL 14 -23.418 4.306 6.941 88 HG13 VAL 14 HG13 VAL 14 -22.622 5.446 8.027 89 HG21 VAL 14 HG21 VAL 14 -21.567 6.505 5.947 90 HG22 VAL 14 HG22 VAL 14 -22.343 5.287 4.935 91 HG23 VAL 14 HG23 VAL 14 -20.593 5.495 4.879 92 H VAL 15 HN VAL 15 -20.159 5.085 9.925 93 HA VAL 15 HA VAL 15 -19.586 2.261 10.508 94 HB VAL 15 HB VAL 15 -19.245 4.683 12.311 95 HG11 VAL 15 HG11 VAL 15 -19.818 2.565 13.465 96 HG12 VAL 15 HG12 VAL 15 -18.229 3.202 13.891 97 HG13 VAL 15 HG13 VAL 15 -18.366 1.842 12.773 98 HG21 VAL 15 HG21 VAL 15 -17.157 2.989 10.941 99 HG22 VAL 15 HG22 VAL 15 -16.840 4.288 12.090 100 HG23 VAL 15 HG23 VAL 15 -17.576 4.654 10.527 101 H PHE 16 HN PHE 16 -21.208 1.124 11.333 102 HA PHE 16 HA PHE 16 -23.367 2.562 12.682 103 HB2 PHE 16 HB2 PHE 16 -25.052 1.174 11.491 104 HB3 PHE 16 HB1 PHE 16 -24.177 2.275 10.437 105 HD1 PHE 16 HD1 PHE 16 -24.654 -1.245 11.384 106 HD2 PHE 16 HD2 PHE 16 -22.764 1.450 8.688 107 HE1 PHE 16 HE1 PHE 16 -24.109 -3.126 9.889 108 HE2 PHE 16 HE2 PHE 16 -22.216 -0.422 7.193 109 HZ PHE 16 HZ PHE 16 -22.887 -2.712 7.792 110 H GLY 17 HN GLY 17 -24.880 1.060 13.809 111 HA2 GLY 17 HA2 GLY 17 -25.064 -1.257 14.706 112 HA3 GLY 17 HA1 GLY 17 -23.325 -1.178 14.953 113 H TYR 18 HN TYR 18 -24.196 1.823 15.640 114 HA TYR 18 HA TYR 18 -25.010 1.245 18.394 115 HB2 TYR 18 HB2 TYR 18 -23.425 2.926 19.232 116 HB3 TYR 18 HB1 TYR 18 -22.599 1.591 18.441 117 HD1 TYR 18 HD1 TYR 18 -23.578 5.133 18.128 118 HD2 TYR 18 HD2 TYR 18 -21.255 1.969 16.492 119 HE1 TYR 18 HE1 TYR 18 -22.382 6.748 16.732 120 HE2 TYR 18 HE2 TYR 18 -20.047 3.580 15.092 121 HH TYR 18 HH TYR 18 -20.284 5.763 14.187 122 H ARG 19 HN ARG 19 -25.261 3.607 19.483 123 HA ARG 19 HA ARG 19 -26.781 5.351 17.691 124 HB2 ARG 19 HB2 ARG 19 -28.606 5.552 19.328 125 HB3 ARG 19 HB1 ARG 19 -28.462 3.905 18.737 126 HG2 ARG 19 HG2 ARG 19 -27.095 4.676 21.279 127 HG3 ARG 19 HG1 ARG 19 -28.831 4.373 21.283 128 HD2 ARG 19 HD2 ARG 19 -28.440 2.155 20.325 129 HD3 ARG 19 HD1 ARG 19 -26.707 2.466 20.303 130 HE ARG 19 HE ARG 19 -27.470 2.835 22.911 131 HH11 ARG 19 HH11 ARG 19 -27.776 0.215 20.604 132 HH12 ARG 19 HH12 ARG 19 -27.577 -1.033 21.779 133 HH21 ARG 19 HH21 ARG 19 -27.235 1.172 24.507 134 HH22 ARG 19 HH22 ARG 19 -27.289 -0.483 24.015 135 H GLU 20 HN GLU 20 -27.232 7.473 18.747 136 HA GLU 20 HA GLU 20 -24.864 8.403 20.036 137 HB2 GLU 20 HB2 GLU 20 -26.294 9.682 18.335 138 HB3 GLU 20 HB1 GLU 20 -27.418 9.968 19.649 139 HG2 GLU 20 HG2 GLU 20 -24.539 10.765 19.901 140 HG3 GLU 20 HG1 GLU 20 -25.689 11.788 19.050 141 H ALA 21 HN ALA 21 -24.739 7.354 21.923 142 HA ALA 21 HA ALA 21 -25.810 8.547 24.234 143 HB1 ALA 21 HB1 ALA 21 -27.155 6.690 25.120 144 HB2 ALA 21 HB2 ALA 21 -26.950 5.815 23.602 145 HB3 ALA 21 HB3 ALA 21 -27.858 7.327 23.633 146 H ILE 22 HN ILE 22 -24.354 5.805 22.669 147 HA ILE 22 HA ILE 22 -22.873 4.930 25.005 148 HB ILE 22 HB ILE 22 -21.856 3.274 23.411 149 HG12 ILE 22 HG12 ILE 22 -23.269 3.135 21.172 150 HG13 ILE 22 HG11 ILE 22 -23.493 4.858 21.431 151 HG21 ILE 22 HG21 ILE 22 -23.836 2.700 24.690 152 HG22 ILE 22 HG22 ILE 22 -23.910 1.964 23.089 153 HG23 ILE 22 HG23 ILE 22 -24.870 3.400 23.445 154 HD11 ILE 22 HD11 ILE 22 -21.662 4.386 19.908 155 HD12 ILE 22 HD12 ILE 22 -20.843 3.469 21.175 156 HD13 ILE 22 HD13 ILE 22 -21.105 5.204 21.367 157 H THR 23 HN THR 23 -22.497 7.626 23.723 158 HA THR 23 HA THR 23 -20.318 7.836 22.088 159 HB THR 23 HB THR 23 -21.055 9.806 24.249 160 HG1 THR 23 HG1 THR 23 -22.582 10.561 22.810 161 HG21 THR 23 HG21 THR 23 -20.198 11.459 22.606 162 HG22 THR 23 HG22 THR 23 -19.715 10.131 21.555 163 HG23 THR 23 HG23 THR 23 -18.954 10.331 23.128 164 H LYS 24 HN LYS 24 -20.272 7.950 25.672 165 HA LYS 24 HA LYS 24 -17.616 8.601 25.968 166 HB2 LYS 24 HB2 LYS 24 -19.199 6.803 27.789 167 HB3 LYS 24 HB1 LYS 24 -17.833 7.822 28.220 168 HG2 LYS 24 HG2 LYS 24 -20.588 8.718 27.404 169 HG3 LYS 24 HG1 LYS 24 -19.822 8.881 28.985 170 HD2 LYS 24 HD2 LYS 24 -18.109 10.314 27.922 171 HD3 LYS 24 HD1 LYS 24 -19.002 10.248 26.423 172 HE2 LYS 24 HE2 LYS 24 -19.563 12.282 27.572 173 HE3 LYS 24 HE1 LYS 24 -20.962 11.209 27.533 174 HZ1 LYS 24 HZ1 LYS 24 -20.681 12.252 29.692 175 HZ2 LYS 24 HZ2 LYS 24 -19.138 11.579 29.851 176 HZ3 LYS 24 HZ3 LYS 24 -20.493 10.577 29.816 177 H GLN 25 HN GLN 25 -19.088 5.474 25.386 178 HA GLN 25 HA GLN 25 -16.730 3.983 26.019 179 HB2 GLN 25 HB2 GLN 25 -19.305 3.193 24.669 180 HB3 GLN 25 HB1 GLN 25 -18.004 2.072 25.049 181 HG2 GLN 25 HG2 GLN 25 -18.251 2.502 27.400 182 HG3 GLN 25 HG1 GLN 25 -19.464 3.741 27.081 183 HE21 GLN 25 HE21 GLN 25 -19.624 1.255 28.650 184 HE22 GLN 25 HE22 GLN 25 -20.945 0.370 27.980 185 H ILE 26 HN ILE 26 -18.486 4.205 22.881 186 HA ILE 26 HA ILE 26 -16.303 3.103 21.453 187 HB ILE 26 HB ILE 26 -18.862 4.391 20.533 188 HG12 ILE 26 HG12 ILE 26 -17.678 1.620 20.246 189 HG13 ILE 26 HG11 ILE 26 -18.939 2.097 21.375 190 HG21 ILE 26 HG21 ILE 26 -17.182 5.089 18.890 191 HG22 ILE 26 HG22 ILE 26 -18.291 3.902 18.202 192 HG23 ILE 26 HG23 ILE 26 -16.673 3.411 18.697 193 HD11 ILE 26 HD11 ILE 26 -20.418 2.571 19.459 194 HD12 ILE 26 HD12 ILE 26 -19.881 0.896 19.510 195 HD13 ILE 26 HD13 ILE 26 -19.143 2.021 18.373 196 H LEU 27 HN LEU 27 -17.112 6.410 22.204 197 HA LEU 27 HA LEU 27 -15.548 7.716 20.275 198 HB2 LEU 27 HB2 LEU 27 -17.073 8.940 21.635 199 HB3 LEU 27 HB1 LEU 27 -16.262 8.433 23.098 200 HG LEU 27 HG LEU 27 -14.282 9.772 22.369 201 HD11 LEU 27 HD11 LEU 27 -16.216 10.776 20.298 202 HD12 LEU 27 HD12 LEU 27 -14.719 9.892 19.999 203 HD13 LEU 27 HD13 LEU 27 -14.664 11.514 20.690 204 HD21 LEU 27 HD21 LEU 27 -16.895 11.208 22.767 205 HD22 LEU 27 HD22 LEU 27 -15.290 11.892 23.030 206 HD23 LEU 27 HD23 LEU 27 -15.852 10.560 24.033 207 H ALA 28 HN ALA 28 -14.705 6.479 23.488 208 HA ALA 28 HA ALA 28 -12.057 7.442 23.487 209 HB1 ALA 28 HB1 ALA 28 -13.221 6.676 25.511 210 HB2 ALA 28 HB2 ALA 28 -11.666 5.872 25.297 211 HB3 ALA 28 HB3 ALA 28 -13.160 5.020 24.909 212 H TYR 29 HN TYR 29 -13.519 4.518 22.243 213 HA TYR 29 HA TYR 29 -11.166 3.055 21.788 214 HB2 TYR 29 HB2 TYR 29 -13.434 2.066 21.821 215 HB3 TYR 29 HB1 TYR 29 -13.791 2.875 20.300 216 HD1 TYR 29 HD2 TYR 29 -12.747 2.115 18.214 217 HD2 TYR 29 HD1 TYR 29 -12.016 0.121 21.894 218 HE1 TYR 29 HE2 TYR 29 -11.826 0.207 16.985 219 HE2 TYR 29 HE1 TYR 29 -11.087 -1.798 20.676 220 HH TYR 29 HH TYR 29 -10.167 -1.660 17.514 221 H PHE 30 HN PHE 30 -13.027 5.183 19.575 222 HA PHE 30 HA PHE 30 -10.935 4.806 17.570 223 HB2 PHE 30 HB2 PHE 30 -13.675 6.048 17.345 224 HB3 PHE 30 HB1 PHE 30 -12.474 6.148 16.071 225 HD1 PHE 30 HD2 PHE 30 -11.729 4.134 14.890 226 HD2 PHE 30 HD1 PHE 30 -14.869 4.011 17.757 227 HE1 PHE 30 HE2 PHE 30 -12.435 1.948 14.013 228 HE2 PHE 30 HE1 PHE 30 -15.584 1.817 16.882 229 HZ PHE 30 HZ PHE 30 -14.359 0.785 15.004 230 H ALA 31 HN ALA 31 -11.559 6.982 20.018 231 HA ALA 31 HA ALA 31 -10.819 9.428 18.831 232 HB1 ALA 31 HB1 ALA 31 -10.380 10.228 21.112 233 HB2 ALA 31 HB2 ALA 31 -10.501 8.571 21.708 234 HB3 ALA 31 HB3 ALA 31 -11.910 9.359 21.001 235 H GLN 32 HN GLN 32 -9.051 6.716 19.175 236 HA GLN 32 HA GLN 32 -6.485 7.488 19.925 237 HB2 GLN 32 HB2 GLN 32 -7.317 5.488 17.815 238 HB3 GLN 32 HB1 GLN 32 -5.747 5.556 18.602 239 HG2 GLN 32 HG2 GLN 32 -8.352 5.041 20.016 240 HG3 GLN 32 HG1 GLN 32 -7.226 3.792 19.490 241 HE21 GLN 32 HE21 GLN 32 -8.202 4.635 22.167 242 HE22 GLN 32 HE22 GLN 32 -6.766 4.922 23.085 243 H PHE 33 HN PHE 33 -8.239 7.802 16.890 244 HA PHE 33 HA PHE 33 -6.076 9.482 15.849 245 HB2 PHE 33 HB2 PHE 33 -6.738 8.386 13.541 246 HB3 PHE 33 HB1 PHE 33 -5.558 7.626 14.604 247 HD1 PHE 33 HD1 PHE 33 -9.120 7.549 13.586 248 HD2 PHE 33 HD2 PHE 33 -5.912 5.461 15.444 249 HE1 PHE 33 HE1 PHE 33 -10.468 5.494 13.598 250 HE2 PHE 33 HE2 PHE 33 -7.257 3.403 15.462 251 HZ PHE 33 HZ PHE 33 -9.538 3.418 14.539 252 H GLY 34 HN GLY 34 -9.108 9.640 16.824 253 HA2 GLY 34 HA2 GLY 34 -9.733 11.904 15.225 254 HA3 GLY 34 HA1 GLY 34 -10.675 10.516 14.705 255 H GLU 35 HN GLU 35 -12.506 11.871 15.333 256 HA GLU 35 HA GLU 35 -13.226 11.378 18.114 257 HB2 GLU 35 HB2 GLU 35 -12.345 13.698 17.930 258 HB3 GLU 35 HB1 GLU 35 -13.610 14.063 16.773 259 HG2 GLU 35 HG2 GLU 35 -15.301 13.722 18.450 260 HG3 GLU 35 HG1 GLU 35 -14.086 13.186 19.612 261 H ILE 36 HN ILE 36 -15.505 11.166 18.407 262 HA ILE 36 HA ILE 36 -17.082 11.144 15.943 263 HB ILE 36 HB ILE 36 -17.160 8.774 17.824 264 HG12 ILE 36 HG12 ILE 36 -15.606 9.029 15.233 265 HG13 ILE 36 HG11 ILE 36 -14.900 8.907 16.842 266 HG21 ILE 36 HG21 ILE 36 -18.085 9.213 14.998 267 HG22 ILE 36 HG22 ILE 36 -19.112 9.168 16.431 268 HG23 ILE 36 HG23 ILE 36 -18.256 7.711 15.910 269 HD11 ILE 36 HD11 ILE 36 -16.561 6.811 15.476 270 HD12 ILE 36 HD12 ILE 36 -15.850 6.683 17.089 271 HD13 ILE 36 HD13 ILE 36 -14.806 6.793 15.670 272 H LEU 37 HN LEU 37 -19.333 11.175 16.252 273 HA LEU 37 HA LEU 37 -21.294 11.732 17.161 274 HB2 LEU 37 HB2 LEU 37 -20.019 10.873 19.762 275 HB3 LEU 37 HB1 LEU 37 -21.707 11.317 19.604 276 HG LEU 37 HG LEU 37 -21.312 9.347 17.658 277 HD11 LEU 37 HD11 LEU 37 -20.431 7.454 18.972 278 HD12 LEU 37 HD12 LEU 37 -19.900 8.600 20.200 279 HD13 LEU 37 HD13 LEU 37 -19.217 8.675 18.574 280 HD21 LEU 37 HD21 LEU 37 -23.329 9.596 18.925 281 HD22 LEU 37 HD22 LEU 37 -22.491 9.181 20.421 282 HD23 LEU 37 HD23 LEU 37 -22.708 7.962 19.164 283 H GLU 38 HN GLU 38 -22.158 13.163 19.275 284 HA GLU 38 HA GLU 38 -20.603 15.646 19.029 285 HB2 GLU 38 HB2 GLU 38 -23.511 15.115 18.712 286 HB3 GLU 38 HB1 GLU 38 -23.034 16.653 19.420 287 HG2 GLU 38 HG2 GLU 38 -21.844 15.697 16.846 288 HG3 GLU 38 HG1 GLU 38 -23.402 16.523 16.885 289 H ASP 39 HN ASP 39 -20.401 13.711 21.165 290 HA ASP 39 HA ASP 39 -20.888 15.537 23.381 291 HB2 ASP 39 HB2 ASP 39 -22.811 13.893 23.293 292 HB3 ASP 39 HB1 ASP 39 -21.639 12.614 23.591 293 H LEU 40 HN LEU 40 -19.311 15.393 24.973 294 HA LEU 40 HA LEU 40 -17.241 13.357 24.521 295 HB2 LEU 40 HB2 LEU 40 -16.724 16.298 24.937 296 HB3 LEU 40 HB1 LEU 40 -15.498 15.053 24.834 297 HG LEU 40 HG LEU 40 -17.364 15.827 22.587 298 HD11 LEU 40 HD11 LEU 40 -15.389 16.801 21.569 299 HD12 LEU 40 HD12 LEU 40 -14.461 16.441 23.028 300 HD13 LEU 40 HD13 LEU 40 -15.796 17.596 23.091 301 HD21 LEU 40 HD21 LEU 40 -14.981 13.986 22.652 302 HD22 LEU 40 HD22 LEU 40 -15.858 14.477 21.204 303 HD23 LEU 40 HD23 LEU 40 -16.665 13.509 22.438 304 H GLU 41 HN GLU 41 -17.372 16.158 26.649 305 HA GLU 41 HA GLU 41 -17.356 16.456 28.884 306 HB2 GLU 41 HB2 GLU 41 -19.360 14.966 28.863 307 HB3 GLU 41 HB1 GLU 41 -18.296 13.593 29.130 308 HG2 GLU 41 HG2 GLU 41 -19.271 14.239 31.216 309 HG3 GLU 41 HG1 GLU 41 -17.553 14.635 31.245 310 H SER 42 HN SER 42 -16.354 13.057 28.548 311 HA SER 42 HA SER 42 -13.621 13.729 29.185 312 HB2 SER 42 HB2 SER 42 -15.105 11.816 31.019 313 HB3 SER 42 HB1 SER 42 -13.434 12.348 31.169 314 HG SER 42 HG SER 42 -14.791 14.545 31.130 315 H GLU 43 HN GLU 43 -13.200 12.871 27.154 316 HA GLU 43 HA GLU 43 -14.050 10.210 26.439 317 HB2 GLU 43 HB2 GLU 43 -11.810 11.434 24.924 318 HB3 GLU 43 HB1 GLU 43 -13.265 10.652 24.338 319 HG2 GLU 43 HG2 GLU 43 -13.440 12.868 23.633 320 HG3 GLU 43 HG1 GLU 43 -14.497 12.763 25.042 321 H LEU 44 HN LEU 44 -10.770 11.544 26.430 322 HA LEU 44 HA LEU 44 -9.821 9.531 28.203 323 HB2 LEU 44 HB2 LEU 44 -8.053 8.786 26.486 324 HB3 LEU 44 HB1 LEU 44 -9.667 8.115 26.406 325 HG LEU 44 HG LEU 44 -10.178 9.707 24.544 326 HD11 LEU 44 HD11 LEU 44 -8.321 10.764 23.371 327 HD12 LEU 44 HD12 LEU 44 -7.219 10.248 24.648 328 HD13 LEU 44 HD13 LEU 44 -8.501 11.403 25.005 329 HD21 LEU 44 HD21 LEU 44 -8.863 8.458 22.869 330 HD22 LEU 44 HD22 LEU 44 -9.616 7.419 24.079 331 HD23 LEU 44 HD23 LEU 44 -7.895 7.783 24.177 332 H GLY 45 HN GLY 45 -7.493 9.814 28.697 333 HA2 GLY 45 HA2 GLY 45 -6.715 12.635 28.296 334 HA3 GLY 45 HA1 GLY 45 -6.370 11.726 29.758 335 H ASP 46 HN ASP 46 -6.005 9.715 27.167 336 HA ASP 46 HA ASP 46 -3.174 10.396 26.770 337 HB2 ASP 46 HB2 ASP 46 -3.392 8.560 28.463 338 HB3 ASP 46 HB1 ASP 46 -4.232 7.594 27.259 339 H THR 47 HN THR 47 -2.280 9.437 24.775 340 HA THR 47 HA THR 47 -2.297 9.162 22.520 341 HB THR 47 HB THR 47 -3.824 7.483 21.540 342 HG1 THR 47 HG1 THR 47 -5.349 8.122 23.714 343 HG21 THR 47 HG21 THR 47 -2.776 6.754 24.252 344 HG22 THR 47 HG22 THR 47 -1.852 6.760 22.747 345 HG23 THR 47 HG23 THR 47 -3.175 5.610 22.969 346 H GLU 48 HN GLU 48 -3.938 11.337 23.733 347 HA GLU 48 HA GLU 48 -6.080 11.776 21.862 348 HB2 GLU 48 HB2 GLU 48 -6.538 13.752 23.174 349 HB3 GLU 48 HB1 GLU 48 -6.229 12.357 24.218 350 HG2 GLU 48 HG2 GLU 48 -4.031 13.141 24.740 351 HG3 GLU 48 HG1 GLU 48 -4.173 14.458 23.577 352 H THR 49 HN THR 49 -2.786 12.270 21.750 353 HA THR 49 HA THR 49 -2.847 14.813 20.390 354 HB THR 49 HB THR 49 -0.389 14.457 20.129 355 HG1 THR 49 HG1 THR 49 0.376 12.531 20.438 356 HG21 THR 49 HG21 THR 49 -1.484 14.089 22.925 357 HG22 THR 49 HG22 THR 49 -1.276 15.627 22.088 358 HG23 THR 49 HG23 THR 49 0.135 14.665 22.528 359 H MET 50 HN MET 50 -3.485 11.690 19.451 360 HA MET 50 HA MET 50 -2.340 12.052 16.790 361 HB2 MET 50 HB2 MET 50 -3.285 9.628 18.274 362 HB3 MET 50 HB1 MET 50 -2.981 9.599 16.548 363 HG2 MET 50 HG2 MET 50 -0.970 10.305 18.669 364 HG3 MET 50 HG1 MET 50 -1.085 8.758 17.833 365 HE1 MET 50 HE1 MET 50 -0.567 8.399 15.283 366 HE2 MET 50 HE2 MET 50 -0.149 9.696 14.164 367 HE3 MET 50 HE3 MET 50 -1.767 9.617 14.855 368 H ARG 51 HN ARG 51 -5.049 13.092 18.011 369 HA ARG 51 HA ARG 51 -6.995 11.809 16.330 370 HB2 ARG 51 HB2 ARG 51 -7.188 14.447 17.786 371 HB3 ARG 51 HB1 ARG 51 -8.518 13.625 17.002 372 HG2 ARG 51 HG2 ARG 51 -8.250 11.756 18.599 373 HG3 ARG 51 HG1 ARG 51 -6.989 12.687 19.420 374 HD2 ARG 51 HD2 ARG 51 -8.664 14.536 19.687 375 HD3 ARG 51 HD1 ARG 51 -9.890 13.430 19.077 376 HE ARG 51 HE ARG 51 -8.525 12.278 21.258 377 HH11 ARG 51 HH11 ARG 51 -11.025 14.625 20.449 378 HH12 ARG 51 HH12 ARG 51 -11.697 14.666 22.030 379 HH21 ARG 51 HH21 ARG 51 -9.426 12.357 23.405 380 HH22 ARG 51 HH22 ARG 51 -10.766 13.408 23.736 381 H THR 52 HN THR 52 -7.305 12.146 14.252 382 HA THR 52 HA THR 52 -7.304 12.988 12.168 383 HB THR 52 HB THR 52 -8.117 15.186 11.804 384 HG1 THR 52 HG1 THR 52 -7.359 15.967 14.427 385 HG21 THR 52 HG21 THR 52 -9.713 13.786 13.026 386 HG22 THR 52 HG22 THR 52 -9.893 15.482 13.472 387 HG23 THR 52 HG23 THR 52 -9.060 14.370 14.557 388 HA PRO 53 HA PRO 53 -3.309 14.398 10.902 389 HB2 PRO 53 HB2 PRO 53 -4.214 16.295 8.893 390 HB3 PRO 53 HB1 PRO 53 -3.520 14.688 8.669 391 HG2 PRO 53 HG2 PRO 53 -6.124 15.263 8.127 392 HG3 PRO 53 HG1 PRO 53 -5.571 13.658 8.646 393 HD2 PRO 53 HD2 PRO 53 -6.859 15.833 10.250 394 HD3 PRO 53 HD1 PRO 53 -7.161 14.081 10.277 395 H GLY 54 HN GLY 54 -4.678 16.248 12.974 396 HA2 GLY 54 HA2 GLY 54 -2.632 17.927 13.538 397 HA3 GLY 54 HA1 GLY 54 -3.480 18.824 12.298 398 H TYR 55 HN TYR 55 -6.108 17.674 13.498 399 HA TYR 55 HA TYR 55 -6.223 19.705 15.603 400 HB2 TYR 55 HB2 TYR 55 -8.328 18.718 13.691 401 HB3 TYR 55 HB1 TYR 55 -8.748 19.591 15.160 402 HD1 TYR 55 HD1 TYR 55 -7.118 19.855 11.868 403 HD2 TYR 55 HD2 TYR 55 -8.342 21.948 15.367 404 HE1 TYR 55 HE1 TYR 55 -6.755 22.000 10.710 405 HE2 TYR 55 HE2 TYR 55 -7.986 24.086 14.225 406 HH TYR 55 HH TYR 55 -7.501 24.324 10.865 407 H PHE 56 HN PHE 56 -6.073 18.863 17.493 408 HA PHE 56 HA PHE 56 -6.675 16.204 18.195 409 HB2 PHE 56 HB2 PHE 56 -6.574 18.544 20.107 410 HB3 PHE 56 HB1 PHE 56 -6.210 16.855 20.453 411 HD1 PHE 56 HD2 PHE 56 -4.180 15.822 19.363 412 HD2 PHE 56 HD1 PHE 56 -4.908 20.011 19.375 413 HE1 PHE 56 HE2 PHE 56 -1.812 16.233 18.838 414 HE2 PHE 56 HE1 PHE 56 -2.547 20.431 18.845 415 HZ PHE 56 HZ PHE 56 -0.995 18.538 18.576 416 H PHE 57 HN PHE 57 -8.230 19.064 19.578 417 HA PHE 57 HA PHE 57 -10.810 18.513 18.683 418 HB2 PHE 57 HB2 PHE 57 -11.903 17.866 20.804 419 HB3 PHE 57 HB1 PHE 57 -10.763 16.646 20.306 420 HD1 PHE 57 HD2 PHE 57 -8.643 16.416 21.521 421 HD2 PHE 57 HD1 PHE 57 -11.757 18.994 22.799 422 HE1 PHE 57 HE2 PHE 57 -7.690 16.457 23.756 423 HE2 PHE 57 HE1 PHE 57 -10.815 19.036 25.036 424 HZ PHE 57 HZ PHE 57 -8.770 17.769 25.545 425 H GLN 58 HN GLN 58 -11.942 20.331 18.797 426 HA GLN 58 HA GLN 58 -10.637 22.515 20.245 427 HB2 GLN 58 HB2 GLN 58 -12.531 22.655 17.896 428 HB3 GLN 58 HB1 GLN 58 -11.735 24.022 18.659 429 HG2 GLN 58 HG2 GLN 58 -10.389 21.775 17.168 430 HG3 GLN 58 HG1 GLN 58 -10.615 23.426 16.599 431 HE21 GLN 58 HE21 GLN 58 -9.344 25.070 17.489 432 HE22 GLN 58 HE22 GLN 58 -7.900 24.724 18.368 433 H GLN 59 HN GLN 59 -11.568 23.286 21.957 434 HA GLN 59 HA GLN 59 -14.371 22.675 22.502 435 HB2 GLN 59 HB2 GLN 59 -12.460 22.166 24.127 436 HB3 GLN 59 HB1 GLN 59 -12.342 23.901 24.369 437 HG2 GLN 59 HG2 GLN 59 -14.640 23.947 25.190 438 HG3 GLN 59 HG1 GLN 59 -14.759 22.203 24.945 439 HE21 GLN 59 HE21 GLN 59 -15.096 23.617 27.391 440 HE22 GLN 59 HE22 GLN 59 -13.876 23.056 28.480 441 H ALA 60 HN ALA 60 -13.050 24.821 20.774 442 HA ALA 60 HA ALA 60 -13.465 27.390 21.787 443 HB1 ALA 60 HB1 ALA 60 -13.649 26.410 18.935 444 HB2 ALA 60 HB2 ALA 60 -12.185 26.939 19.760 445 HB3 ALA 60 HB3 ALA 60 -13.470 28.093 19.421 446 HA PRO 61 HA PRO 61 -17.832 28.076 21.853 447 HB2 PRO 61 HB2 PRO 61 -18.059 30.556 20.704 448 HB3 PRO 61 HB1 PRO 61 -17.519 30.283 22.365 449 HG2 PRO 61 HG2 PRO 61 -15.899 30.758 19.894 450 HG3 PRO 61 HG1 PRO 61 -15.688 31.438 21.518 451 HD2 PRO 61 HD2 PRO 61 -14.164 29.429 20.648 452 HD3 PRO 61 HD1 PRO 61 -14.706 29.504 22.336 453 H ASN 62 HN ASN 62 -16.216 28.233 18.761 454 HA ASN 62 HA ASN 62 -18.785 27.681 17.454 455 HB2 ASN 62 HB2 ASN 62 -18.022 29.979 16.901 456 HB3 ASN 62 HB1 ASN 62 -16.528 29.308 16.259 457 HD21 ASN 62 HD21 ASN 62 -19.958 29.636 15.787 458 HD22 ASN 62 HD22 ASN 62 -19.974 29.171 14.123 459 H ARG 63 HN ARG 63 -18.431 25.518 17.552 460 HA ARG 63 HA ARG 63 -16.889 24.436 15.392 461 HB2 ARG 63 HB2 ARG 63 -15.759 22.725 17.004 462 HB3 ARG 63 HB1 ARG 63 -15.037 24.311 16.792 463 HG2 ARG 63 HG2 ARG 63 -14.971 23.818 19.100 464 HG3 ARG 63 HG1 ARG 63 -16.229 25.032 18.871 465 HD2 ARG 63 HD2 ARG 63 -17.895 23.154 18.847 466 HD3 ARG 63 HD1 ARG 63 -16.579 22.076 19.320 467 HE ARG 63 HE ARG 63 -16.663 24.257 21.089 468 HH11 ARG 63 HH11 ARG 63 -18.526 21.407 20.257 469 HH12 ARG 63 HH12 ARG 63 -19.229 21.238 21.825 470 HH21 ARG 63 HH21 ARG 63 -17.590 24.030 23.197 471 HH22 ARG 63 HH22 ARG 63 -18.661 22.718 23.515 472 H ARG 64 HN ARG 64 -17.571 22.382 14.764 473 HA ARG 64 HA ARG 64 -19.904 21.377 16.226 474 HB2 ARG 64 HB2 ARG 64 -19.208 21.264 13.299 475 HB3 ARG 64 HB1 ARG 64 -20.549 20.397 14.019 476 HG2 ARG 64 HG2 ARG 64 -20.223 23.386 14.092 477 HG3 ARG 64 HG1 ARG 64 -21.193 22.517 12.908 478 HD2 ARG 64 HD2 ARG 64 -22.704 23.272 14.592 479 HD3 ARG 64 HD1 ARG 64 -22.489 21.544 14.851 480 HE ARG 64 HE ARG 64 -20.721 23.213 16.419 481 HH11 ARG 64 HH11 ARG 64 -23.836 21.608 16.309 482 HH12 ARG 64 HH12 ARG 64 -24.055 21.633 18.019 483 HH21 ARG 64 HH21 ARG 64 -21.008 23.284 18.661 484 HH22 ARG 64 HH22 ARG 64 -22.427 22.609 19.382 485 H ARG 65 HN ARG 65 -16.989 20.730 16.576 486 HA ARG 65 HA ARG 65 -15.590 19.029 16.927 487 HB2 ARG 65 HB2 ARG 65 -18.187 17.541 17.264 488 HB3 ARG 65 HB1 ARG 65 -16.599 16.987 17.752 489 HG2 ARG 65 HG2 ARG 65 -16.422 18.777 19.356 490 HG3 ARG 65 HG1 ARG 65 -17.991 19.407 18.834 491 HD2 ARG 65 HD2 ARG 65 -19.025 17.264 19.471 492 HD3 ARG 65 HD1 ARG 65 -17.462 16.708 20.063 493 HE ARG 65 HE ARG 65 -17.619 18.216 21.852 494 HH11 ARG 65 HH11 ARG 65 -20.433 18.350 19.732 495 HH12 ARG 65 HH12 ARG 65 -21.464 19.036 20.943 496 HH21 ARG 65 HH21 ARG 65 -18.997 19.131 23.455 497 HH22 ARG 65 HH22 ARG 65 -20.646 19.485 23.068 498 H ILE 66 HN ILE 66 -17.888 16.739 15.781 499 HA ILE 66 HA ILE 66 -16.127 15.524 13.983 500 HB ILE 66 HB ILE 66 -17.816 14.161 14.956 501 HG12 ILE 66 HG12 ILE 66 -19.046 14.432 12.285 502 HG13 ILE 66 HG11 ILE 66 -17.326 14.099 12.323 503 HG21 ILE 66 HG21 ILE 66 -19.454 15.851 15.506 504 HG22 ILE 66 HG22 ILE 66 -20.219 14.521 14.637 505 HG23 ILE 66 HG23 ILE 66 -19.870 16.033 13.801 506 HD11 ILE 66 HD11 ILE 66 -17.802 12.084 13.680 507 HD12 ILE 66 HD12 ILE 66 -18.629 12.049 12.122 508 HD13 ILE 66 HD13 ILE 66 -19.523 12.457 13.587 509 H SER 67 HN SER 67 -18.802 17.741 13.503 510 HA SER 67 HA SER 67 -19.485 18.981 11.784 511 HB2 SER 67 HB2 SER 67 -17.256 19.992 12.036 512 HB3 SER 67 HB1 SER 67 -16.590 18.780 10.943 513 HG SER 67 HG SER 67 -18.147 19.655 9.367 514 H ARG 68 HN ARG 68 -19.582 16.069 11.499 515 HA ARG 68 HA ARG 68 -19.825 15.968 8.576 516 HB2 ARG 68 HB2 ARG 68 -18.950 13.713 10.396 517 HB3 ARG 68 HB1 ARG 68 -19.297 13.539 8.684 518 HG2 ARG 68 HG2 ARG 68 -17.149 15.328 9.808 519 HG3 ARG 68 HG1 ARG 68 -16.880 13.690 9.210 520 HD2 ARG 68 HD2 ARG 68 -17.588 14.325 7.002 521 HD3 ARG 68 HD1 ARG 68 -18.063 15.925 7.567 522 HE ARG 68 HE ARG 68 -15.391 15.647 8.188 523 HH11 ARG 68 HH11 ARG 68 -17.328 15.598 5.257 524 HH12 ARG 68 HH12 ARG 68 -16.089 16.307 4.279 525 HH21 ARG 68 HH21 ARG 68 -13.736 16.593 6.850 526 HH22 ARG 68 HH22 ARG 68 -14.071 16.855 5.175 527 H GLU 69 HN GLU 69 -21.488 14.643 7.778 528 HA GLU 69 HA GLU 69 -23.900 14.868 9.284 529 HB2 GLU 69 HB2 GLU 69 -23.837 15.261 6.889 530 HB3 GLU 69 HB1 GLU 69 -23.316 13.609 6.610 531 HG2 GLU 69 HG2 GLU 69 -25.447 12.793 7.474 532 HG3 GLU 69 HG1 GLU 69 -25.964 14.456 7.752 533 H HIS 70 HN HIS 70 -25.107 13.302 10.236 534 HA HIS 70 HA HIS 70 -24.307 10.518 9.982 535 HB2 HIS 70 HB2 HIS 70 -24.274 10.178 12.434 536 HB3 HIS 70 HB1 HIS 70 -23.014 11.286 11.914 537 HD2 HIS 70 HD2 HIS 70 -26.377 11.374 13.930 538 HE1 HIS 70 HE1 HIS 70 -24.313 15.024 14.550 539 HE2 HIS 70 HE2 HIS 70 -26.448 13.754 14.921 540 H GLY 71 HN GLY 71 -25.901 9.070 11.063 541 HA2 GLY 71 HA2 GLY 71 -28.594 10.232 10.797 542 HA3 GLY 71 HA1 GLY 71 -28.187 8.548 10.478 543 H ARG 72 HN ARG 72 -29.423 7.507 11.931 544 HA ARG 72 HA ARG 72 -29.287 8.349 14.743 545 HB2 ARG 72 HB2 ARG 72 -31.188 6.484 13.340 546 HB3 ARG 72 HB1 ARG 72 -31.211 6.814 15.065 547 HG2 ARG 72 HG2 ARG 72 -31.696 9.170 14.609 548 HG3 ARG 72 HG1 ARG 72 -31.671 8.829 12.877 549 HD2 ARG 72 HD2 ARG 72 -33.514 7.250 13.168 550 HD3 ARG 72 HD1 ARG 72 -33.550 7.609 14.892 551 HE ARG 72 HE ARG 72 -34.462 9.318 12.712 552 HH11 ARG 72 HH11 ARG 72 -33.829 8.983 16.154 553 HH12 ARG 72 HH12 ARG 72 -34.908 10.247 16.610 554 HH21 ARG 72 HH21 ARG 72 -35.896 11.018 13.315 555 HH22 ARG 72 HH22 ARG 72 -36.089 11.418 14.986 556 H THR 73 HN THR 73 -28.955 5.494 12.734 557 HA THR 73 HA THR 73 -27.582 4.233 14.988 558 HB THR 73 HB THR 73 -28.072 2.127 13.732 559 HG1 THR 73 HG1 THR 73 -30.239 3.208 12.431 560 HG21 THR 73 HG21 THR 73 -29.365 2.771 15.702 561 HG22 THR 73 HG22 THR 73 -30.414 2.010 14.505 562 HG23 THR 73 HG23 THR 73 -30.420 3.763 14.694 563 H TRP 74 HN TRP 74 -26.855 5.898 12.327 564 HA TRP 74 HA TRP 74 -24.375 4.427 11.898 565 HB2 TRP 74 HB2 TRP 74 -24.550 4.815 9.437 566 HB3 TRP 74 HB1 TRP 74 -25.757 3.700 10.060 567 HD1 TRP 74 HD1 TRP 74 -28.313 4.467 9.961 568 HE1 TRP 74 HE1 TRP 74 -29.516 6.321 8.639 569 HE3 TRP 74 HE3 TRP 74 -24.245 7.231 8.537 570 HZ2 TRP 74 HZ2 TRP 74 -28.832 8.646 7.188 571 HZ3 TRP 74 HZ3 TRP 74 -24.608 9.251 7.187 572 HH2 TRP 74 HH2 TRP 74 -26.853 9.943 6.526 573 H THR 75 HN THR 75 -22.631 5.671 11.385 574 HA THR 75 HA THR 75 -23.038 8.584 11.357 575 HB THR 75 HB THR 75 -20.844 7.062 12.784 576 HG1 THR 75 HG1 THR 75 -21.976 7.365 14.570 577 HG21 THR 75 HG21 THR 75 -21.416 10.034 12.757 578 HG22 THR 75 HG22 THR 75 -20.102 9.247 11.882 579 HG23 THR 75 HG23 THR 75 -20.125 9.220 13.646 580 H LYS 76 HN LYS 76 -22.141 9.540 9.640 581 HA LYS 76 HA LYS 76 -20.180 8.065 8.059 582 HB2 LYS 76 HB2 LYS 76 -22.062 8.896 6.795 583 HB3 LYS 76 HB1 LYS 76 -21.868 10.505 7.460 584 HG2 LYS 76 HG2 LYS 76 -19.772 10.772 6.251 585 HG3 LYS 76 HG1 LYS 76 -19.912 9.128 5.626 586 HD2 LYS 76 HD2 LYS 76 -20.650 10.760 3.961 587 HD3 LYS 76 HD1 LYS 76 -21.994 9.741 4.483 588 HE2 LYS 76 HE2 LYS 76 -22.748 11.514 5.991 589 HE3 LYS 76 HE1 LYS 76 -21.400 12.528 5.487 590 HZ1 LYS 76 HZ1 LYS 76 -23.319 11.498 3.501 591 HZ2 LYS 76 HZ2 LYS 76 -22.331 12.864 3.408 592 HZ3 LYS 76 HZ3 LYS 76 -23.696 12.870 4.409 593 H LEU 77 HN LEU 77 -18.156 8.418 8.664 594 HA LEU 77 HA LEU 77 -17.412 11.163 9.350 595 HB2 LEU 77 HB2 LEU 77 -15.742 10.071 10.989 596 HB3 LEU 77 HB1 LEU 77 -17.418 10.251 11.461 597 HG LEU 77 HG LEU 77 -17.616 7.782 10.565 598 HD11 LEU 77 HD11 LEU 77 -15.632 6.464 10.958 599 HD12 LEU 77 HD12 LEU 77 -14.714 7.916 11.337 600 HD13 LEU 77 HD13 LEU 77 -15.333 7.665 9.700 601 HD21 LEU 77 HD21 LEU 77 -16.335 8.489 13.194 602 HD22 LEU 77 HD22 LEU 77 -17.153 6.972 12.824 603 HD23 LEU 77 HD23 LEU 77 -18.063 8.483 12.841 604 H THR 78 HN THR 78 -15.504 11.919 8.670 605 HA THR 78 HA THR 78 -14.005 10.208 6.806 606 HB THR 78 HB THR 78 -14.249 13.230 6.806 607 HG1 THR 78 HG1 THR 78 -16.023 11.447 6.069 608 HG21 THR 78 HG21 THR 78 -13.095 11.303 4.780 609 HG22 THR 78 HG22 THR 78 -12.183 12.444 5.770 610 HG23 THR 78 HG23 THR 78 -13.294 13.038 4.537 611 H TYR 79 HN TYR 79 -11.944 9.751 7.392 612 HA TYR 79 HA TYR 79 -10.759 11.161 9.644 613 HB2 TYR 79 HB2 TYR 79 -9.742 8.805 8.042 614 HB3 TYR 79 HB1 TYR 79 -8.941 9.481 9.453 615 HD1 TYR 79 HD2 TYR 79 -10.123 9.378 11.682 616 HD2 TYR 79 HD1 TYR 79 -11.482 7.231 8.271 617 HE1 TYR 79 HE2 TYR 79 -11.433 7.896 13.143 618 HE2 TYR 79 HE1 TYR 79 -12.795 5.744 9.725 619 HH TYR 79 HH TYR 79 -12.797 4.993 12.062 620 H ALA 80 HN ALA 80 -10.839 11.531 6.363 621 HA ALA 80 HA ALA 80 -9.781 12.863 4.874 622 HB1 ALA 80 HB1 ALA 80 -8.350 14.001 7.278 623 HB2 ALA 80 HB2 ALA 80 -9.894 14.560 6.634 624 HB3 ALA 80 HB3 ALA 80 -8.426 14.727 5.672 625 H ASN 81 HN ASN 81 -8.498 10.301 6.048 626 HA ASN 81 HA ASN 81 -6.130 10.514 4.390 627 HB2 ASN 81 HB2 ASN 81 -4.651 9.486 6.054 628 HB3 ASN 81 HB1 ASN 81 -5.283 11.011 6.643 629 HD21 ASN 81 HD21 ASN 81 -4.870 10.496 8.755 630 HD22 ASN 81 HD22 ASN 81 -5.790 9.332 9.643 631 H HIS 82 HN HIS 82 -5.181 8.349 3.952 632 HA HIS 82 HA HIS 82 -7.362 6.446 3.663 633 HB2 HIS 82 HB2 HIS 82 -4.637 6.632 2.402 634 HB3 HIS 82 HB1 HIS 82 -5.692 5.242 2.194 635 HD2 HIS 82 HD2 HIS 82 -8.351 6.150 1.122 636 HE1 HIS 82 HE1 HIS 82 -6.436 9.174 -1.140 637 HE2 HIS 82 HE2 HIS 82 -8.594 7.959 -0.702 638 H SER 83 HN SER 83 -4.559 6.964 5.526 639 HA SER 83 HA SER 83 -3.794 4.352 6.111 640 HB2 SER 83 HB2 SER 83 -3.646 6.775 7.909 641 HB3 SER 83 HB1 SER 83 -2.673 5.309 8.043 642 HG SER 83 HG SER 83 -1.981 5.819 5.820 643 H SER 84 HN SER 84 -6.146 6.467 7.763 644 HA SER 84 HA SER 84 -6.831 4.311 9.573 645 HB2 SER 84 HB2 SER 84 -6.737 6.614 10.430 646 HB3 SER 84 HB1 SER 84 -8.005 7.089 9.300 647 HG SER 84 HG SER 84 -9.150 5.196 10.449 648 H TYR 85 HN TYR 85 -7.791 5.448 6.533 649 HA TYR 85 HA TYR 85 -10.549 4.922 6.501 650 HB2 TYR 85 HB2 TYR 85 -9.329 6.156 4.738 651 HB3 TYR 85 HB1 TYR 85 -8.530 4.673 4.251 652 HD1 TYR 85 HD1 TYR 85 -11.738 6.485 4.312 653 HD2 TYR 85 HD2 TYR 85 -9.644 3.103 2.805 654 HE1 TYR 85 HE1 TYR 85 -13.536 6.107 2.679 655 HE2 TYR 85 HE2 TYR 85 -11.434 2.712 1.171 656 HH TYR 85 HH TYR 85 -13.846 5.031 0.520 657 H LEU 86 HN LEU 86 -7.839 2.821 5.493 658 HA LEU 86 HA LEU 86 -9.483 0.528 5.084 659 HB2 LEU 86 HB2 LEU 86 -6.505 0.847 5.356 660 HB3 LEU 86 HB1 LEU 86 -7.261 -0.712 5.125 661 HG LEU 86 HG LEU 86 -6.478 -0.049 3.027 662 HD11 LEU 86 HD11 LEU 86 -9.408 0.631 3.061 663 HD12 LEU 86 HD12 LEU 86 -8.725 -0.992 2.993 664 HD13 LEU 86 HD13 LEU 86 -8.466 0.131 1.658 665 HD21 LEU 86 HD21 LEU 86 -6.063 2.292 3.425 666 HD22 LEU 86 HD22 LEU 86 -7.791 2.622 3.469 667 HD23 LEU 86 HD23 LEU 86 -7.032 2.107 1.964 668 H ARG 87 HN ARG 87 -7.509 1.645 7.742 669 HA ARG 87 HA ARG 87 -7.564 -0.697 9.299 670 HB2 ARG 87 HB2 ARG 87 -7.191 2.181 10.112 671 HB3 ARG 87 HB1 ARG 87 -6.968 0.822 11.201 672 HG2 ARG 87 HG2 ARG 87 -5.425 1.247 8.651 673 HG3 ARG 87 HG1 ARG 87 -4.860 1.692 10.260 674 HD2 ARG 87 HD2 ARG 87 -5.635 -1.111 9.454 675 HD3 ARG 87 HD1 ARG 87 -3.987 -0.488 9.424 676 HE ARG 87 HE ARG 87 -4.606 0.020 11.930 677 HH11 ARG 87 HH11 ARG 87 -5.290 -2.866 10.045 678 HH12 ARG 87 HH12 ARG 87 -5.210 -3.931 11.402 679 HH21 ARG 87 HH21 ARG 87 -4.505 -1.409 13.736 680 HH22 ARG 87 HH22 ARG 87 -4.763 -3.106 13.494 681 H ALA 88 HN ALA 88 -9.792 2.035 9.199 682 HA ALA 88 HA ALA 88 -11.243 1.354 11.530 683 HB1 ALA 88 HB1 ALA 88 -12.906 2.938 10.755 684 HB2 ALA 88 HB2 ALA 88 -12.170 2.953 9.151 685 HB3 ALA 88 HB3 ALA 88 -11.282 3.590 10.535 686 H LEU 89 HN LEU 89 -11.241 -0.004 8.402 687 HA LEU 89 HA LEU 89 -13.948 -0.808 8.213 688 HB2 LEU 89 HB2 LEU 89 -11.521 -1.860 6.812 689 HB3 LEU 89 HB1 LEU 89 -13.177 -2.241 6.391 690 HG LEU 89 HG LEU 89 -11.859 0.464 6.216 691 HD11 LEU 89 HD11 LEU 89 -12.214 0.194 3.828 692 HD12 LEU 89 HD12 LEU 89 -12.896 -1.407 4.119 693 HD13 LEU 89 HD13 LEU 89 -11.198 -1.095 4.482 694 HD21 LEU 89 HD21 LEU 89 -14.698 -0.354 5.603 695 HD22 LEU 89 HD22 LEU 89 -13.974 1.196 5.180 696 HD23 LEU 89 HD23 LEU 89 -14.171 0.749 6.875 697 H ARG 90 HN ARG 90 -11.626 -1.911 10.302 698 HA ARG 90 HA ARG 90 -11.692 -4.669 10.206 699 HB2 ARG 90 HB2 ARG 90 -11.076 -4.694 12.548 700 HB3 ARG 90 HB1 ARG 90 -10.215 -3.414 11.712 701 HG2 ARG 90 HG2 ARG 90 -11.670 -1.740 12.682 702 HG3 ARG 90 HG1 ARG 90 -12.677 -2.997 13.395 703 HD2 ARG 90 HD2 ARG 90 -9.755 -2.633 14.028 704 HD3 ARG 90 HD1 ARG 90 -11.062 -1.940 14.988 705 HE ARG 90 HE ARG 90 -11.690 -4.586 14.843 706 HH11 ARG 90 HH11 ARG 90 -8.830 -2.844 15.901 707 HH12 ARG 90 HH12 ARG 90 -8.390 -4.012 17.094 708 HH21 ARG 90 HH21 ARG 90 -11.101 -6.153 16.382 709 HH22 ARG 90 HH22 ARG 90 -9.697 -5.933 17.369 710 H GLU 91 HN GLU 91 -13.134 -6.175 10.523 711 HA GLU 91 HA GLU 91 -15.534 -5.606 12.128 712 HB2 GLU 91 HB2 GLU 91 -15.349 -7.209 9.562 713 HB3 GLU 91 HB1 GLU 91 -16.759 -7.184 10.609 714 HG2 GLU 91 HG2 GLU 91 -17.044 -4.813 10.196 715 HG3 GLU 91 HG1 GLU 91 -15.596 -4.805 9.186 716 H HIS 92 HN HIS 92 -15.748 -8.654 10.932 717 HA HIS 92 HA HIS 92 -15.498 -10.737 11.756 718 HB2 HIS 92 HB2 HIS 92 -12.778 -9.645 12.488 719 HB3 HIS 92 HB1 HIS 92 -13.217 -11.344 12.591 720 HD2 HIS 92 HD2 HIS 92 -12.718 -8.617 9.787 721 HE1 HIS 92 HE1 HIS 92 -12.330 -12.469 8.070 722 HE2 HIS 92 HE2 HIS 92 -12.317 -9.992 7.641 723 H GLY 93 HN GLY 93 -13.349 -9.705 14.293 724 HA2 GLY 93 HA2 GLY 93 -15.327 -10.633 16.243 725 HA3 GLY 93 HA1 GLY 93 -13.592 -10.547 16.494 726 H THR 94 HN THR 94 -14.643 -7.772 14.965 727 HA THR 94 HA THR 94 -14.249 -6.218 17.328 728 HB THR 94 HB THR 94 -15.275 -5.272 14.633 729 HG1 THR 94 HG1 THR 94 -13.218 -6.326 14.490 730 HG21 THR 94 HG21 THR 94 -14.366 -3.098 15.343 731 HG22 THR 94 HG22 THR 94 -13.898 -3.795 16.891 732 HG23 THR 94 HG23 THR 94 -15.602 -3.661 16.465 733 H ILE 95 HN ILE 95 -15.825 -6.968 18.690 734 HA ILE 95 HA ILE 95 -18.585 -6.195 18.054 735 HB ILE 95 HB ILE 95 -17.534 -8.332 19.917 736 HG12 ILE 95 HG12 ILE 95 -19.387 -8.570 17.539 737 HG13 ILE 95 HG11 ILE 95 -17.648 -8.837 17.456 738 HG21 ILE 95 HG21 ILE 95 -20.388 -7.430 19.531 739 HG22 ILE 95 HG22 ILE 95 -19.415 -7.223 20.986 740 HG23 ILE 95 HG23 ILE 95 -19.878 -8.842 20.459 741 HD11 ILE 95 HD11 ILE 95 -18.886 -10.925 17.603 742 HD12 ILE 95 HD12 ILE 95 -19.591 -10.403 19.136 743 HD13 ILE 95 HD13 ILE 95 -17.855 -10.690 19.014 744 H TYR 96 HN TYR 96 -19.387 -4.573 19.143 745 HA TYR 96 HA TYR 96 -18.181 -3.855 21.723 746 HB2 TYR 96 HB2 TYR 96 -17.721 -2.393 19.557 747 HB3 TYR 96 HB1 TYR 96 -19.314 -1.752 19.936 748 HD1 TYR 96 HD2 TYR 96 -19.684 -0.765 22.251 749 HD2 TYR 96 HD1 TYR 96 -15.844 -1.702 20.697 750 HE1 TYR 96 HE2 TYR 96 -18.669 0.679 23.943 751 HE2 TYR 96 HE1 TYR 96 -14.795 -0.273 22.398 752 HH TYR 96 HH TYR 96 -16.441 0.865 25.094 753 H CYS 97 HN CYS 97 -19.642 -3.479 23.323 754 HA CYS 97 HA CYS 97 -21.625 -3.337 24.432 755 HB2 CYS 97 HB2 CYS 97 -21.842 -1.273 23.017 756 HB3 CYS 97 HB1 CYS 97 -22.716 -2.224 21.827 757 HG CYS 97 HG CYS 97 -24.018 -2.375 24.907 758 H GLY 98 HN GLY 98 -20.926 -5.684 22.619 759 HA2 GLY 98 HA2 GLY 98 -21.926 -7.804 22.555 760 HA3 GLY 98 HA1 GLY 98 -23.458 -7.064 22.987 761 H ALA 99 HN ALA 99 -21.904 -5.486 20.400 762 HA ALA 99 HA ALA 99 -23.212 -7.170 18.391 763 HB1 ALA 99 HB1 ALA 99 -23.614 -4.191 18.616 764 HB2 ALA 99 HB2 ALA 99 -24.828 -5.435 18.925 765 HB3 ALA 99 HB3 ALA 99 -24.185 -5.215 17.299 766 H ALA 100 HN ALA 100 -22.263 -7.067 16.347 767 HA ALA 100 HA ALA 100 -19.517 -6.292 16.301 768 HB1 ALA 100 HB1 ALA 100 -19.544 -7.065 13.989 769 HB2 ALA 100 HB2 ALA 100 -21.304 -7.144 14.021 770 HB3 ALA 100 HB3 ALA 100 -20.356 -8.227 15.038 771 H ILE 101 HN ILE 101 -18.559 -4.543 15.374 772 HA ILE 101 HA ILE 101 -20.294 -2.294 14.796 773 HB ILE 101 HB ILE 101 -17.272 -2.450 14.753 774 HG12 ILE 101 HG12 ILE 101 -19.139 -1.393 16.885 775 HG13 ILE 101 HG11 ILE 101 -18.148 -2.845 17.004 776 HG21 ILE 101 HG21 ILE 101 -18.051 -0.632 13.381 777 HG22 ILE 101 HG22 ILE 101 -17.377 0.011 14.886 778 HG23 ILE 101 HG23 ILE 101 -19.126 -0.080 14.670 779 HD11 ILE 101 HD11 ILE 101 -17.125 -0.028 16.727 780 HD12 ILE 101 HD12 ILE 101 -16.126 -1.475 16.860 781 HD13 ILE 101 HD13 ILE 101 -17.146 -0.977 18.214 782 H GLY 102 HN GLY 102 -20.818 -1.630 12.832 783 HA2 GLY 102 HA2 GLY 102 -19.650 -3.094 10.578 784 HA3 GLY 102 HA1 GLY 102 -21.193 -2.252 10.564 785 H CYS 103 HN CYS 103 -17.825 -2.027 10.047 786 HA CYS 103 HA CYS 103 -18.115 0.808 9.339 787 HB2 CYS 103 HB2 CYS 103 -15.581 -0.747 9.847 788 HB3 CYS 103 HB1 CYS 103 -15.701 0.979 9.530 789 HG CYS 103 HG CYS 103 -15.167 0.095 12.290 790 H VAL 104 HN VAL 104 -18.547 1.014 7.267 791 HA VAL 104 HA VAL 104 -16.918 -0.476 5.336 792 HB VAL 104 HB VAL 104 -18.897 -0.796 3.870 793 HG11 VAL 104 HG11 VAL 104 -19.973 -2.606 5.128 794 HG12 VAL 104 HG12 VAL 104 -19.205 -2.022 6.606 795 HG13 VAL 104 HG13 VAL 104 -18.218 -2.640 5.282 796 HG21 VAL 104 HG21 VAL 104 -20.294 1.011 4.679 797 HG22 VAL 104 HG22 VAL 104 -20.462 0.211 6.240 798 HG23 VAL 104 HG23 VAL 104 -21.158 -0.523 4.796 799 HA PRO 105 HA PRO 105 -16.503 3.452 3.277 800 HB2 PRO 105 HB2 PRO 105 -16.774 2.711 0.638 801 HB3 PRO 105 HB1 PRO 105 -15.290 2.498 1.572 802 HG2 PRO 105 HG2 PRO 105 -17.444 0.505 0.962 803 HG3 PRO 105 HG1 PRO 105 -15.683 0.292 0.943 804 HD2 PRO 105 HD2 PRO 105 -17.172 -0.575 2.984 805 HD3 PRO 105 HD1 PRO 105 -15.558 0.116 3.249 806 H TYR 106 HN TYR 106 -17.761 5.083 2.270 807 HA TYR 106 HA TYR 106 -20.490 5.004 2.795 808 HB2 TYR 106 HB2 TYR 106 -19.248 7.099 2.623 809 HB3 TYR 106 HB1 TYR 106 -18.996 6.827 0.904 810 HD1 TYR 106 HD1 TYR 106 -21.540 7.580 3.475 811 HD2 TYR 106 HD2 TYR 106 -20.680 7.409 -0.688 812 HE1 TYR 106 HE1 TYR 106 -23.627 8.787 3.005 813 HE2 TYR 106 HE2 TYR 106 -22.767 8.611 -1.177 814 HH TYR 106 HH TYR 106 -24.810 9.199 -0.271 815 H LYS 107 HN LYS 107 -22.188 4.249 1.783 816 HA LYS 107 HA LYS 107 -22.094 3.680 -1.103 817 HB2 LYS 107 HB2 LYS 107 -23.185 1.892 1.086 818 HB3 LYS 107 HB1 LYS 107 -23.385 1.598 -0.634 819 HG2 LYS 107 HG2 LYS 107 -20.982 1.327 -0.879 820 HG3 LYS 107 HG1 LYS 107 -20.757 1.678 0.835 821 HD2 LYS 107 HD2 LYS 107 -22.195 -0.287 1.352 822 HD3 LYS 107 HD1 LYS 107 -22.223 -0.662 -0.371 823 HE2 LYS 107 HE2 LYS 107 -19.725 -0.467 1.313 824 HE3 LYS 107 HE1 LYS 107 -20.543 -1.971 0.901 825 HZ1 LYS 107 HZ1 LYS 107 -20.122 -1.521 -1.431 826 HZ2 LYS 107 HZ2 LYS 107 -18.677 -1.548 -0.558 827 HZ3 LYS 107 HZ3 LYS 107 -19.342 -0.069 -1.041 828 H HIS 108 HN HIS 108 -24.004 4.255 -2.158 829 HA HIS 108 HA HIS 108 -25.775 5.952 -0.743 830 HB2 HIS 108 HB2 HIS 108 -26.958 6.251 -2.826 831 HB3 HIS 108 HB1 HIS 108 -25.239 6.228 -3.166 832 HD2 HIS 108 HD2 HIS 108 -28.457 4.384 -4.181 833 HE1 HIS 108 HE1 HIS 108 -25.209 2.324 -5.966 834 HE2 HIS 108 HE2 HIS 108 -27.692 2.720 -6.007 835 H GLU 109 HN GLU 109 -26.029 2.620 -1.876 836 HA GLU 109 HA GLU 109 -28.769 2.270 -1.256 837 HB2 GLU 109 HB2 GLU 109 -27.499 0.793 -2.782 838 HB3 GLU 109 HB1 GLU 109 -26.596 0.175 -1.407 839 HG2 GLU 109 HG2 GLU 109 -28.668 -0.710 -0.446 840 HG3 GLU 109 HG1 GLU 109 -29.568 -0.088 -1.827 841 H LEU 110 HN LEU 110 -25.830 1.931 0.586 842 HA LEU 110 HA LEU 110 -26.773 0.437 2.751 843 HB2 LEU 110 HB2 LEU 110 -24.415 0.862 2.342 844 HB3 LEU 110 HB1 LEU 110 -24.646 2.571 2.653 845 HG LEU 110 HG LEU 110 -25.331 1.929 4.999 846 HD11 LEU 110 HD11 LEU 110 -25.843 -0.405 4.605 847 HD12 LEU 110 HD12 LEU 110 -24.567 -0.250 5.812 848 HD13 LEU 110 HD13 LEU 110 -24.166 -0.718 4.160 849 HD21 LEU 110 HD21 LEU 110 -23.009 1.646 5.738 850 HD22 LEU 110 HD22 LEU 110 -23.165 2.891 4.501 851 HD23 LEU 110 HD23 LEU 110 -22.533 1.302 4.076 852 H ILE 111 HN ILE 111 -26.728 3.929 2.178 853 HA ILE 111 HA ILE 111 -27.619 4.738 4.705 854 HB ILE 111 HB ILE 111 -28.134 6.100 2.050 855 HG12 ILE 111 HG12 ILE 111 -25.747 5.658 2.361 856 HG13 ILE 111 HG11 ILE 111 -26.079 7.379 2.505 857 HG21 ILE 111 HG21 ILE 111 -28.274 8.163 3.371 858 HG22 ILE 111 HG22 ILE 111 -28.097 7.219 4.849 859 HG23 ILE 111 HG23 ILE 111 -29.517 6.999 3.830 860 HD11 ILE 111 HD11 ILE 111 -25.599 5.459 4.775 861 HD12 ILE 111 HD12 ILE 111 -25.972 7.172 4.951 862 HD13 ILE 111 HD13 ILE 111 -24.475 6.672 4.169 863 H SER 112 HN SER 112 -29.417 4.031 1.724 864 HA SER 112 HA SER 112 -31.940 4.668 2.782 865 HB2 SER 112 HB2 SER 112 -32.764 3.256 0.800 866 HB3 SER 112 HB1 SER 112 -31.812 4.701 0.447 867 HG SER 112 HG SER 112 -30.448 2.269 0.764 868 H GLU 113 HN GLU 113 -30.185 1.596 2.676 869 HA GLU 113 HA GLU 113 -32.349 -0.046 3.410 870 HB2 GLU 113 HB2 GLU 113 -29.403 -0.467 3.961 871 HB3 GLU 113 HB1 GLU 113 -30.647 -1.703 4.049 872 HG2 GLU 113 HG2 GLU 113 -29.799 -0.216 1.570 873 HG3 GLU 113 HG1 GLU 113 -29.375 -1.872 1.989 874 H LEU 114 HN LEU 114 -29.774 1.401 5.427 875 HA LEU 114 HA LEU 114 -30.770 0.494 7.879 876 HB2 LEU 114 HB2 LEU 114 -28.865 2.646 7.080 877 HB3 LEU 114 HB1 LEU 114 -29.398 2.536 8.744 878 HG LEU 114 HG LEU 114 -28.602 0.156 8.737 879 HD11 LEU 114 HD11 LEU 114 -26.950 -0.499 7.073 880 HD12 LEU 114 HD12 LEU 114 -27.292 0.976 6.169 881 HD13 LEU 114 HD13 LEU 114 -28.548 -0.247 6.369 882 HD21 LEU 114 HD21 LEU 114 -27.336 1.926 9.802 883 HD22 LEU 114 HD22 LEU 114 -26.559 2.317 8.267 884 HD23 LEU 114 HD23 LEU 114 -26.250 0.762 9.043 885 H SER 115 HN SER 115 -31.465 3.410 6.042 886 HA SER 115 HA SER 115 -32.765 4.813 8.108 887 HB2 SER 115 HB2 SER 115 -33.101 5.044 5.115 888 HB3 SER 115 HB1 SER 115 -33.701 6.209 6.295 889 HG SER 115 HG SER 115 -31.036 5.585 5.602 890 H ARG 116 HN ARG 116 -33.776 2.073 6.369 891 HA ARG 116 HA ARG 116 -36.614 2.627 6.746 892 HB2 ARG 116 HB2 ARG 116 -35.212 0.210 5.594 893 HB3 ARG 116 HB1 ARG 116 -36.953 0.442 5.640 894 HG2 ARG 116 HG2 ARG 116 -36.735 2.396 4.196 895 HG3 ARG 116 HG1 ARG 116 -34.986 2.168 4.153 896 HD2 ARG 116 HD2 ARG 116 -35.389 -0.105 3.202 897 HD3 ARG 116 HD1 ARG 116 -37.100 0.302 3.091 898 HE ARG 116 HE ARG 116 -36.409 2.141 1.572 899 HH11 ARG 116 HH11 ARG 116 -34.374 -0.672 1.994 900 HH12 ARG 116 HH12 ARG 116 -33.480 -0.434 0.540 901 HH21 ARG 116 HH21 ARG 116 -35.270 2.456 -0.395 902 HH22 ARG 116 HH22 ARG 116 -34.019 1.346 -0.845 903 H GLU 117 HN GLU 117 -34.173 1.644 8.678 904 HA GLU 117 HA GLU 117 -33.986 0.600 10.669 905 HB2 GLU 117 HB2 GLU 117 -36.998 0.734 10.550 906 HB3 GLU 117 HB1 GLU 117 -36.112 0.148 11.946 907 HG2 GLU 117 HG2 GLU 117 -35.818 2.900 10.772 908 HG3 GLU 117 HG1 GLU 117 -36.858 2.498 12.138 909 H GLY 118 HN GLY 118 -34.332 -0.911 8.116 910 HA2 GLY 118 HA2 GLY 118 -33.646 -3.324 8.367 911 HA3 GLY 118 HA1 GLY 118 -35.151 -3.490 9.263 912 H HIS 119 HN HIS 119 -33.720 -3.769 6.315 913 HA HIS 119 HA HIS 119 -36.117 -3.219 4.772 914 HB2 HIS 119 HB2 HIS 119 -33.912 -2.629 3.834 915 HB3 HIS 119 HB1 HIS 119 -33.451 -4.326 3.860 916 HD2 HIS 119 HD2 HIS 119 -34.148 -5.726 1.609 917 HE1 HIS 119 HE1 HIS 119 -36.651 -2.780 -0.132 918 HE2 HIS 119 HE2 HIS 119 -35.478 -4.974 -0.477 919 H HIS 120 HN HIS 120 -37.512 -4.714 5.690 920 HA HIS 120 HA HIS 120 -38.613 -6.671 5.976 921 HB2 HIS 120 HB2 HIS 120 -38.662 -6.282 3.450 922 HB3 HIS 120 HB1 HIS 120 -37.382 -7.479 3.332 923 HD2 HIS 120 HD2 HIS 120 -41.052 -7.484 4.850 924 HE1 HIS 120 HE1 HIS 120 -40.223 -11.239 3.070 925 HE2 HIS 120 HE2 HIS 120 -41.848 -9.907 4.456 926 H HIS 121 HN HIS 121 -37.232 -9.134 4.414 927 HA HIS 121 HA HIS 121 -35.143 -9.780 6.343 928 HB2 HIS 121 HB2 HIS 121 -37.578 -11.545 5.954 929 HB3 HIS 121 HB1 HIS 121 -36.156 -11.951 6.902 930 HD2 HIS 121 HD2 HIS 121 -35.936 -10.449 9.351 931 HE1 HIS 121 HE1 HIS 121 -40.013 -9.293 9.302 932 HE2 HIS 121 HE2 HIS 121 -37.903 -9.409 10.666 933 H HIS 122 HN HIS 122 -34.029 -11.804 5.697 934 HA HIS 122 HA HIS 122 -33.942 -11.966 2.808 935 HB2 HIS 122 HB2 HIS 122 -31.802 -11.811 3.992 936 HB3 HIS 122 HB1 HIS 122 -32.182 -13.268 4.902 937 HD2 HIS 122 HD2 HIS 122 -31.440 -15.613 3.678 938 HE1 HIS 122 HE1 HIS 122 -30.436 -13.971 -0.094 939 HE2 HIS 122 HE2 HIS 122 -30.819 -16.074 1.222 940 H HIS 123 HN HIS 123 -35.888 -13.002 2.378 941 HA HIS 123 HA HIS 123 -36.133 -15.760 3.320 942 HB2 HIS 123 HB2 HIS 123 -38.073 -13.979 1.823 943 HB3 HIS 123 HB1 HIS 123 -38.364 -15.684 2.130 944 HD2 HIS 123 HD2 HIS 123 -38.604 -16.290 4.973 945 HE1 HIS 123 HE1 HIS 123 -39.780 -12.329 5.902 946 HE2 HIS 123 HE2 HIS 123 -39.413 -14.644 6.792 947 H HIS 124 HN HIS 124 -34.290 -16.403 2.102 948 HA HIS 124 HA HIS 124 -34.947 -17.430 -0.470 949 HB2 HIS 124 HB2 HIS 124 -34.399 -15.072 -1.079 950 HB3 HIS 124 HB1 HIS 124 -32.805 -15.283 -0.369 951 HD2 HIS 124 HD2 HIS 124 -34.729 -17.339 -3.181 952 HE1 HIS 124 HE1 HIS 124 -30.758 -16.550 -4.423 953 HE2 HIS 124 HE2 HIS 124 -32.882 -17.799 -4.919 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -10.276 16.174 -20.375 2 H2 MET 1 HT2 MET 1 -11.481 15.349 -21.218 3 H3 MET 1 HT3 MET 1 -10.140 15.945 -22.046 4 HA MET 1 HA MET 1 -9.997 13.585 -21.756 5 HB2 MET 1 HB2 MET 1 -8.020 15.176 -20.104 6 HB3 MET 1 HB1 MET 1 -7.790 13.497 -20.562 7 HG2 MET 1 HG2 MET 1 -7.852 14.146 -22.927 8 HG3 MET 1 HG1 MET 1 -8.031 15.832 -22.442 9 HE1 MET 1 HE1 MET 1 -4.353 15.645 -23.833 10 HE2 MET 1 HE2 MET 1 -5.935 16.404 -23.997 11 HE3 MET 1 HE3 MET 1 -5.727 14.705 -24.415 12 H SER 2 HN SER 2 -9.400 14.958 -18.502 13 HA SER 2 HA SER 2 -11.321 13.112 -17.384 14 HB2 SER 2 HB2 SER 2 -9.325 11.702 -17.549 15 HB3 SER 2 HB1 SER 2 -8.376 12.921 -16.704 16 HG SER 2 HG SER 2 -9.011 12.048 -14.922 17 H LEU 3 HN LEU 3 -12.231 13.906 -15.584 18 HA LEU 3 HA LEU 3 -10.946 16.202 -14.258 19 HB2 LEU 3 HB2 LEU 3 -13.894 15.581 -14.574 20 HB3 LEU 3 HB1 LEU 3 -13.273 16.836 -13.531 21 HG LEU 3 HG LEU 3 -14.044 17.936 -15.451 22 HD11 LEU 3 HD11 LEU 3 -12.094 18.953 -16.422 23 HD12 LEU 3 HD12 LEU 3 -11.083 17.631 -15.845 24 HD13 LEU 3 HD13 LEU 3 -11.863 18.711 -14.690 25 HD21 LEU 3 HD21 LEU 3 -13.430 17.334 -17.742 26 HD22 LEU 3 HD22 LEU 3 -14.284 16.025 -16.929 27 HD23 LEU 3 HD23 LEU 3 -12.534 15.942 -17.132 28 H GLY 4 HN GLY 4 -10.929 16.224 -11.993 29 HA2 GLY 4 HA2 GLY 4 -11.470 13.591 -10.803 30 HA3 GLY 4 HA1 GLY 4 -10.304 14.757 -10.198 31 H SER 5 HN SER 5 -12.932 13.335 -9.258 32 HA SER 5 HA SER 5 -14.579 15.535 -8.428 33 HB2 SER 5 HB2 SER 5 -14.551 12.639 -7.534 34 HB3 SER 5 HB1 SER 5 -15.809 13.814 -7.152 35 HG SER 5 HG SER 5 -16.666 13.082 -8.915 36 H GLU 6 HN GLU 6 -14.725 16.443 -6.364 37 HA GLU 6 HA GLU 6 -12.337 16.308 -4.774 38 HB2 GLU 6 HB2 GLU 6 -14.841 17.779 -3.985 39 HB3 GLU 6 HB1 GLU 6 -13.176 18.172 -3.598 40 HG2 GLU 6 HG2 GLU 6 -13.599 19.776 -5.148 41 HG3 GLU 6 HG1 GLU 6 -13.008 18.500 -6.210 42 H SER 7 HN SER 7 -15.165 14.654 -4.913 43 HA SER 7 HA SER 7 -14.810 13.574 -2.240 44 HB2 SER 7 HB2 SER 7 -17.488 14.321 -3.446 45 HB3 SER 7 HB1 SER 7 -17.241 13.508 -1.902 46 HG SER 7 HG SER 7 -15.756 15.707 -1.900 47 H GLU 8 HN GLU 8 -13.893 11.788 -3.050 48 HA GLU 8 HA GLU 8 -14.915 10.358 -5.287 49 HB2 GLU 8 HB2 GLU 8 -13.000 9.420 -3.154 50 HB3 GLU 8 HB1 GLU 8 -13.245 8.719 -4.747 51 HG2 GLU 8 HG2 GLU 8 -12.315 10.633 -5.822 52 HG3 GLU 8 HG1 GLU 8 -12.225 11.502 -4.290 53 H THR 9 HN THR 9 -15.930 10.676 -2.222 54 HA THR 9 HA THR 9 -17.592 9.767 -0.981 55 HB THR 9 HB THR 9 -17.984 7.731 -3.178 56 HG1 THR 9 HG1 THR 9 -18.159 10.100 -3.717 57 HG21 THR 9 HG21 THR 9 -19.820 8.751 -1.001 58 HG22 THR 9 HG22 THR 9 -19.041 7.173 -1.033 59 HG23 THR 9 HG23 THR 9 -20.256 7.583 -2.251 60 H GLY 10 HN GLY 10 -15.374 7.430 -2.413 61 HA2 GLY 10 HA2 GLY 10 -15.673 5.520 -0.289 62 HA3 GLY 10 HA1 GLY 10 -14.442 5.502 -1.545 63 H ASN 11 HN ASN 11 -14.742 8.416 0.187 64 HA ASN 11 HA ASN 11 -12.197 7.910 1.531 65 HB2 ASN 11 HB2 ASN 11 -13.711 10.524 1.291 66 HB3 ASN 11 HB1 ASN 11 -12.040 10.315 1.791 67 HD21 ASN 11 HD21 ASN 11 -10.480 9.816 0.212 68 HD22 ASN 11 HD22 ASN 11 -10.780 10.098 -1.467 69 H ALA 12 HN ALA 12 -15.272 7.384 2.186 70 HA ALA 12 HA ALA 12 -14.975 7.917 5.042 71 HB1 ALA 12 HB1 ALA 12 -17.280 8.735 5.190 72 HB2 ALA 12 HB2 ALA 12 -17.452 8.591 3.441 73 HB3 ALA 12 HB3 ALA 12 -16.320 9.758 4.123 74 H VAL 13 HN VAL 13 -15.931 6.420 6.346 75 HA VAL 13 HA VAL 13 -17.274 4.167 5.015 76 HB VAL 13 HB VAL 13 -16.458 2.739 6.907 77 HG11 VAL 13 HG11 VAL 13 -14.130 2.563 6.133 78 HG12 VAL 13 HG12 VAL 13 -14.328 4.084 5.259 79 HG13 VAL 13 HG13 VAL 13 -15.281 2.671 4.803 80 HG21 VAL 13 HG21 VAL 13 -16.073 4.489 8.562 81 HG22 VAL 13 HG22 VAL 13 -14.773 5.154 7.575 82 HG23 VAL 13 HG23 VAL 13 -14.599 3.556 8.299 83 H VAL 14 HN VAL 14 -18.923 3.124 6.260 84 HA VAL 14 HA VAL 14 -20.154 4.949 8.210 85 HB VAL 14 HB VAL 14 -21.526 3.003 6.334 86 HG11 VAL 14 HG11 VAL 14 -23.612 3.991 7.150 87 HG12 VAL 14 HG12 VAL 14 -22.698 4.979 8.290 88 HG13 VAL 14 HG13 VAL 14 -22.708 3.225 8.456 89 HG21 VAL 14 HG21 VAL 14 -22.409 4.987 5.220 90 HG22 VAL 14 HG22 VAL 14 -20.646 4.969 5.172 91 HG23 VAL 14 HG23 VAL 14 -21.486 6.019 6.312 92 H VAL 15 HN VAL 15 -20.404 4.165 10.176 93 HA VAL 15 HA VAL 15 -20.132 1.263 10.533 94 HB VAL 15 HB VAL 15 -19.480 3.383 12.590 95 HG11 VAL 15 HG11 VAL 15 -20.061 1.139 13.424 96 HG12 VAL 15 HG12 VAL 15 -18.396 1.600 13.787 97 HG13 VAL 15 HG13 VAL 15 -18.735 0.469 12.477 98 HG21 VAL 15 HG21 VAL 15 -17.949 3.642 10.720 99 HG22 VAL 15 HG22 VAL 15 -17.588 1.918 10.753 100 HG23 VAL 15 HG23 VAL 15 -17.109 2.945 12.105 101 H PHE 16 HN PHE 16 -21.730 0.241 11.565 102 HA PHE 16 HA PHE 16 -23.711 1.799 13.030 103 HB2 PHE 16 HB2 PHE 16 -25.573 0.688 11.820 104 HB3 PHE 16 HB1 PHE 16 -24.614 1.740 10.785 105 HD1 PHE 16 HD2 PHE 16 -23.128 0.783 9.079 106 HD2 PHE 16 HD1 PHE 16 -25.657 -1.685 11.457 107 HE1 PHE 16 HE2 PHE 16 -22.807 -1.070 7.493 108 HE2 PHE 16 HE1 PHE 16 -25.338 -3.542 9.877 109 HZ PHE 16 HZ PHE 16 -23.911 -3.234 7.890 110 H GLY 17 HN GLY 17 -25.284 0.372 14.166 111 HA2 GLY 17 HA2 GLY 17 -25.674 -1.975 14.899 112 HA3 GLY 17 HA1 GLY 17 -23.924 -2.107 15.026 113 H TYR 18 HN TYR 18 -24.302 0.874 15.980 114 HA TYR 18 HA TYR 18 -24.920 0.171 18.759 115 HB2 TYR 18 HB2 TYR 18 -23.254 1.972 19.398 116 HB3 TYR 18 HB1 TYR 18 -22.581 0.497 18.726 117 HD1 TYR 18 HD1 TYR 18 -23.462 4.014 17.891 118 HD2 TYR 18 HD2 TYR 18 -21.200 0.571 16.837 119 HE1 TYR 18 HE1 TYR 18 -22.209 5.345 16.243 120 HE2 TYR 18 HE2 TYR 18 -19.950 1.889 15.200 121 HH TYR 18 HH TYR 18 -20.069 5.281 15.085 122 H ARG 19 HN ARG 19 -24.942 2.615 19.949 123 HA ARG 19 HA ARG 19 -26.863 4.216 18.426 124 HB2 ARG 19 HB2 ARG 19 -27.998 2.489 19.921 125 HB3 ARG 19 HB1 ARG 19 -27.358 3.384 21.288 126 HG2 ARG 19 HG2 ARG 19 -28.621 5.344 20.631 127 HG3 ARG 19 HG1 ARG 19 -29.214 4.500 19.202 128 HD2 ARG 19 HD2 ARG 19 -30.928 4.408 20.875 129 HD3 ARG 19 HD1 ARG 19 -30.228 2.800 20.718 130 HE ARG 19 HE ARG 19 -29.333 4.617 22.841 131 HH11 ARG 19 HH11 ARG 19 -30.731 1.546 21.847 132 HH12 ARG 19 HH12 ARG 19 -30.823 0.920 23.456 133 HH21 ARG 19 HH21 ARG 19 -29.472 3.772 24.993 134 HH22 ARG 19 HH22 ARG 19 -30.099 2.181 25.239 135 H GLU 20 HN GLU 20 -27.356 6.316 19.696 136 HA GLU 20 HA GLU 20 -25.006 7.791 20.005 137 HB2 GLU 20 HB2 GLU 20 -27.221 8.713 19.426 138 HB3 GLU 20 HB1 GLU 20 -27.750 8.432 21.076 139 HG2 GLU 20 HG2 GLU 20 -25.962 9.984 21.841 140 HG3 GLU 20 HG1 GLU 20 -25.631 10.347 20.147 141 H ALA 21 HN ALA 21 -26.845 6.032 22.383 142 HA ALA 21 HA ALA 21 -25.927 7.375 24.688 143 HB1 ALA 21 HB1 ALA 21 -26.816 5.507 25.943 144 HB2 ALA 21 HB2 ALA 21 -26.924 4.540 24.472 145 HB3 ALA 21 HB3 ALA 21 -27.935 5.974 24.659 146 H ILE 22 HN ILE 22 -24.227 5.265 22.613 147 HA ILE 22 HA ILE 22 -22.395 4.539 24.801 148 HB ILE 22 HB ILE 22 -21.501 2.752 23.379 149 HG12 ILE 22 HG12 ILE 22 -23.107 2.173 21.352 150 HG13 ILE 22 HG11 ILE 22 -23.395 3.906 21.358 151 HG21 ILE 22 HG21 ILE 22 -23.301 2.246 24.911 152 HG22 ILE 22 HG22 ILE 22 -23.454 1.274 23.446 153 HG23 ILE 22 HG23 ILE 22 -24.496 2.676 23.687 154 HD11 ILE 22 HD11 ILE 22 -20.987 4.297 21.050 155 HD12 ILE 22 HD12 ILE 22 -21.671 3.321 19.751 156 HD13 ILE 22 HD13 ILE 22 -20.723 2.555 21.020 157 H THR 23 HN THR 23 -22.532 7.071 22.990 158 HA THR 23 HA THR 23 -20.429 7.177 21.219 159 HB THR 23 HB THR 23 -21.300 9.403 23.078 160 HG1 THR 23 HG1 THR 23 -22.535 10.023 21.229 161 HG21 THR 23 HG21 THR 23 -19.130 9.900 22.103 162 HG22 THR 23 HG22 THR 23 -20.365 10.891 21.330 163 HG23 THR 23 HG23 THR 23 -19.723 9.476 20.500 164 H LYS 24 HN LYS 24 -20.296 7.787 24.719 165 HA LYS 24 HA LYS 24 -17.714 8.664 24.966 166 HB2 LYS 24 HB2 LYS 24 -19.064 6.797 26.904 167 HB3 LYS 24 HB1 LYS 24 -17.854 8.019 27.257 168 HG2 LYS 24 HG2 LYS 24 -20.708 8.498 26.413 169 HG3 LYS 24 HG1 LYS 24 -20.017 8.762 28.009 170 HD2 LYS 24 HD2 LYS 24 -18.450 10.412 26.838 171 HD3 LYS 24 HD1 LYS 24 -19.553 10.349 25.478 172 HE2 LYS 24 HE2 LYS 24 -21.408 10.820 27.151 173 HE3 LYS 24 HE1 LYS 24 -20.124 11.273 28.267 174 HZ1 LYS 24 HZ1 LYS 24 -20.987 13.184 27.082 175 HZ2 LYS 24 HZ2 LYS 24 -20.607 12.455 25.602 176 HZ3 LYS 24 HZ3 LYS 24 -19.364 12.906 26.663 177 H GLN 25 HN GLN 25 -18.867 5.329 24.618 178 HA GLN 25 HA GLN 25 -16.411 4.094 25.394 179 HB2 GLN 25 HB2 GLN 25 -18.791 2.989 23.898 180 HB3 GLN 25 HB1 GLN 25 -17.430 2.028 24.462 181 HG2 GLN 25 HG2 GLN 25 -17.952 2.670 26.773 182 HG3 GLN 25 HG1 GLN 25 -19.340 3.583 26.187 183 HE21 GLN 25 HE21 GLN 25 -20.851 2.366 27.276 184 HE22 GLN 25 HE22 GLN 25 -21.212 0.723 26.874 185 H ILE 26 HN ILE 26 -17.984 4.371 22.183 186 HA ILE 26 HA ILE 26 -15.724 3.363 20.764 187 HB ILE 26 HB ILE 26 -18.135 4.923 19.761 188 HG12 ILE 26 HG12 ILE 26 -18.640 2.717 20.720 189 HG13 ILE 26 HG11 ILE 26 -18.957 2.775 18.989 190 HG21 ILE 26 HG21 ILE 26 -16.213 5.181 18.229 191 HG22 ILE 26 HG22 ILE 26 -17.564 4.298 17.524 192 HG23 ILE 26 HG23 ILE 26 -16.145 3.424 18.084 193 HD11 ILE 26 HD11 ILE 26 -16.558 1.531 20.318 194 HD12 ILE 26 HD12 ILE 26 -16.847 1.605 18.578 195 HD13 ILE 26 HD13 ILE 26 -17.931 0.678 19.614 196 H LEU 27 HN LEU 27 -16.560 6.418 21.990 197 HA LEU 27 HA LEU 27 -15.188 8.213 20.353 198 HB2 LEU 27 HB2 LEU 27 -16.814 8.739 22.163 199 HB3 LEU 27 HB1 LEU 27 -15.593 8.314 23.338 200 HG LEU 27 HG LEU 27 -14.206 10.209 22.456 201 HD11 LEU 27 HD11 LEU 27 -15.328 11.918 21.135 202 HD12 LEU 27 HD12 LEU 27 -16.767 10.906 21.030 203 HD13 LEU 27 HD13 LEU 27 -15.271 10.393 20.253 204 HD21 LEU 27 HD21 LEU 27 -15.565 11.924 23.573 205 HD22 LEU 27 HD22 LEU 27 -15.487 10.422 24.490 206 HD23 LEU 27 HD23 LEU 27 -16.937 10.818 23.569 207 H ALA 28 HN ALA 28 -14.109 6.319 23.131 208 HA ALA 28 HA ALA 28 -11.571 7.498 23.399 209 HB1 ALA 28 HB1 ALA 28 -11.041 5.664 24.865 210 HB2 ALA 28 HB2 ALA 28 -12.387 4.720 24.228 211 HB3 ALA 28 HB3 ALA 28 -12.702 6.184 25.161 212 H TYR 29 HN TYR 29 -12.689 4.845 21.383 213 HA TYR 29 HA TYR 29 -9.938 4.154 20.701 214 HB2 TYR 29 HB2 TYR 29 -11.590 2.351 21.169 215 HB3 TYR 29 HB1 TYR 29 -12.487 2.844 19.739 216 HD1 TYR 29 HD1 TYR 29 -9.326 1.355 20.929 217 HD2 TYR 29 HD2 TYR 29 -11.772 2.172 17.550 218 HE1 TYR 29 HE1 TYR 29 -7.936 -0.148 19.567 219 HE2 TYR 29 HE2 TYR 29 -10.392 0.675 16.177 220 HH TYR 29 HH TYR 29 -7.997 -1.402 17.575 221 H PHE 30 HN PHE 30 -12.837 4.523 18.660 222 HA PHE 30 HA PHE 30 -11.290 5.018 16.327 223 HB2 PHE 30 HB2 PHE 30 -14.243 5.265 16.865 224 HB3 PHE 30 HB1 PHE 30 -13.522 5.538 15.285 225 HD1 PHE 30 HD1 PHE 30 -14.282 3.029 17.847 226 HD2 PHE 30 HD2 PHE 30 -12.763 3.719 13.931 227 HE1 PHE 30 HE1 PHE 30 -14.470 0.627 17.352 228 HE2 PHE 30 HE2 PHE 30 -12.938 1.322 13.438 229 HZ PHE 30 HZ PHE 30 -13.796 -0.228 15.148 230 H ALA 31 HN ALA 31 -12.978 7.145 18.570 231 HA ALA 31 HA ALA 31 -12.743 9.416 16.811 232 HB1 ALA 31 HB1 ALA 31 -13.950 10.643 18.369 233 HB2 ALA 31 HB2 ALA 31 -13.449 9.605 19.703 234 HB3 ALA 31 HB3 ALA 31 -14.603 9.009 18.518 235 H GLN 32 HN GLN 32 -10.563 7.874 18.692 236 HA GLN 32 HA GLN 32 -9.219 9.896 20.070 237 HB2 GLN 32 HB2 GLN 32 -8.861 7.400 20.241 238 HB3 GLN 32 HB1 GLN 32 -7.971 7.494 18.734 239 HG2 GLN 32 HG2 GLN 32 -6.417 7.446 20.537 240 HG3 GLN 32 HG1 GLN 32 -6.392 9.060 19.825 241 HE21 GLN 32 HE21 GLN 32 -7.398 7.155 22.561 242 HE22 GLN 32 HE22 GLN 32 -7.659 8.482 23.637 243 H PHE 33 HN PHE 33 -9.229 8.960 16.710 244 HA PHE 33 HA PHE 33 -7.277 11.083 16.111 245 HB2 PHE 33 HB2 PHE 33 -7.915 8.621 14.472 246 HB3 PHE 33 HB1 PHE 33 -6.731 9.852 14.061 247 HD1 PHE 33 HD2 PHE 33 -4.655 10.059 15.389 248 HD2 PHE 33 HD1 PHE 33 -7.439 6.909 16.045 249 HE1 PHE 33 HE2 PHE 33 -2.940 8.803 16.632 250 HE2 PHE 33 HE1 PHE 33 -5.730 5.651 17.287 251 HZ PHE 33 HZ PHE 33 -3.481 6.596 17.583 252 H GLY 34 HN GLY 34 -10.463 10.753 16.235 253 HA2 GLY 34 HA2 GLY 34 -10.943 12.606 14.090 254 HA3 GLY 34 HA1 GLY 34 -11.577 11.009 13.741 255 H GLU 35 HN GLU 35 -13.710 11.330 13.832 256 HA GLU 35 HA GLU 35 -14.904 12.134 16.380 257 HB2 GLU 35 HB2 GLU 35 -14.750 14.136 15.001 258 HB3 GLU 35 HB1 GLU 35 -15.578 13.328 13.689 259 HG2 GLU 35 HG2 GLU 35 -17.589 13.184 15.065 260 HG3 GLU 35 HG1 GLU 35 -16.741 14.003 16.380 261 H ILE 36 HN ILE 36 -16.909 11.097 16.751 262 HA ILE 36 HA ILE 36 -17.709 9.226 14.621 263 HB ILE 36 HB ILE 36 -18.008 8.523 17.539 264 HG12 ILE 36 HG12 ILE 36 -15.601 8.942 16.987 265 HG13 ILE 36 HG11 ILE 36 -15.945 7.283 17.465 266 HG21 ILE 36 HG21 ILE 36 -17.826 6.874 15.036 267 HG22 ILE 36 HG22 ILE 36 -19.328 7.344 15.829 268 HG23 ILE 36 HG23 ILE 36 -18.185 6.277 16.658 269 HD11 ILE 36 HD11 ILE 36 -15.925 6.638 15.108 270 HD12 ILE 36 HD12 ILE 36 -14.397 7.363 15.617 271 HD13 ILE 36 HD13 ILE 36 -15.549 8.307 14.669 272 H LEU 37 HN LEU 37 -19.124 9.838 17.815 273 HA LEU 37 HA LEU 37 -21.604 10.664 16.466 274 HB2 LEU 37 HB2 LEU 37 -21.371 9.406 19.207 275 HB3 LEU 37 HB1 LEU 37 -22.850 9.819 18.374 276 HG LEU 37 HG LEU 37 -21.889 8.051 16.607 277 HD11 LEU 37 HD11 LEU 37 -20.786 6.219 17.729 278 HD12 LEU 37 HD12 LEU 37 -20.819 7.093 19.255 279 HD13 LEU 37 HD13 LEU 37 -19.829 7.687 17.924 280 HD21 LEU 37 HD21 LEU 37 -23.251 7.280 19.181 281 HD22 LEU 37 HD22 LEU 37 -23.311 6.400 17.653 282 HD23 LEU 37 HD23 LEU 37 -24.060 7.992 17.786 283 H GLU 38 HN GLU 38 -23.020 11.749 18.373 284 HA GLU 38 HA GLU 38 -21.469 14.067 19.218 285 HB2 GLU 38 HB2 GLU 38 -23.752 15.042 19.663 286 HB3 GLU 38 HB1 GLU 38 -23.417 14.651 17.983 287 HG2 GLU 38 HG2 GLU 38 -24.668 12.534 18.286 288 HG3 GLU 38 HG1 GLU 38 -25.097 13.070 19.908 289 H ASP 39 HN ASP 39 -22.734 14.998 21.405 290 HA ASP 39 HA ASP 39 -22.825 14.846 23.666 291 HB2 ASP 39 HB2 ASP 39 -24.492 13.044 23.298 292 HB3 ASP 39 HB1 ASP 39 -23.181 11.873 23.239 293 H LEU 40 HN LEU 40 -20.737 15.545 23.819 294 HA LEU 40 HA LEU 40 -18.594 13.550 23.802 295 HB2 LEU 40 HB2 LEU 40 -18.476 16.537 23.442 296 HB3 LEU 40 HB1 LEU 40 -17.106 15.450 23.365 297 HG LEU 40 HG LEU 40 -19.444 15.448 21.459 298 HD11 LEU 40 HD11 LEU 40 -18.028 17.426 21.247 299 HD12 LEU 40 HD12 LEU 40 -17.869 16.358 19.851 300 HD13 LEU 40 HD13 LEU 40 -16.608 16.392 21.087 301 HD21 LEU 40 HD21 LEU 40 -16.859 13.894 21.417 302 HD22 LEU 40 HD22 LEU 40 -18.079 13.901 20.141 303 HD23 LEU 40 HD23 LEU 40 -18.462 13.227 21.727 304 H GLU 41 HN GLU 41 -19.403 16.586 25.485 305 HA GLU 41 HA GLU 41 -18.603 17.510 27.409 306 HB2 GLU 41 HB2 GLU 41 -18.996 14.630 28.253 307 HB3 GLU 41 HB1 GLU 41 -18.410 15.840 29.382 308 HG2 GLU 41 HG2 GLU 41 -20.752 15.594 29.701 309 HG3 GLU 41 HG1 GLU 41 -20.455 17.164 28.961 310 H SER 42 HN SER 42 -16.817 15.397 29.140 311 HA SER 42 HA SER 42 -14.343 16.298 27.984 312 HB2 SER 42 HB2 SER 42 -14.868 14.330 30.237 313 HB3 SER 42 HB1 SER 42 -13.285 14.970 29.796 314 HG SER 42 HG SER 42 -14.167 17.082 30.224 315 H GLU 43 HN GLU 43 -14.310 15.476 25.979 316 HA GLU 43 HA GLU 43 -15.123 12.849 25.368 317 HB2 GLU 43 HB2 GLU 43 -14.000 13.531 23.070 318 HB3 GLU 43 HB1 GLU 43 -15.558 14.150 23.580 319 HG2 GLU 43 HG2 GLU 43 -14.290 15.955 22.675 320 HG3 GLU 43 HG1 GLU 43 -14.406 16.209 24.409 321 H LEU 44 HN LEU 44 -11.848 14.270 25.111 322 HA LEU 44 HA LEU 44 -10.821 11.550 25.488 323 HB2 LEU 44 HB2 LEU 44 -9.870 13.625 23.527 324 HB3 LEU 44 HB1 LEU 44 -8.999 12.166 23.919 325 HG LEU 44 HG LEU 44 -11.718 12.271 22.615 326 HD11 LEU 44 HD11 LEU 44 -10.562 11.565 20.596 327 HD12 LEU 44 HD12 LEU 44 -9.015 11.640 21.441 328 HD13 LEU 44 HD13 LEU 44 -9.939 13.116 21.166 329 HD21 LEU 44 HD21 LEU 44 -11.374 9.882 22.216 330 HD22 LEU 44 HD22 LEU 44 -11.396 10.243 23.941 331 HD23 LEU 44 HD23 LEU 44 -9.862 9.943 23.122 332 H GLY 45 HN GLY 45 -10.006 14.995 25.413 333 HA2 GLY 45 HA2 GLY 45 -8.985 16.166 27.180 334 HA3 GLY 45 HA1 GLY 45 -8.481 14.631 27.875 335 H ASP 46 HN ASP 46 -7.612 17.262 25.926 336 HA ASP 46 HA ASP 46 -5.581 17.991 25.204 337 HB2 ASP 46 HB2 ASP 46 -4.547 15.360 26.264 338 HB3 ASP 46 HB1 ASP 46 -3.517 16.590 25.543 339 H THR 47 HN THR 47 -6.351 14.675 24.300 340 HA THR 47 HA THR 47 -4.942 14.928 21.791 341 HB THR 47 HB THR 47 -5.801 12.631 21.357 342 HG1 THR 47 HG1 THR 47 -7.325 11.826 22.591 343 HG21 THR 47 HG21 THR 47 -3.701 12.984 22.512 344 HG22 THR 47 HG22 THR 47 -4.540 11.586 23.202 345 HG23 THR 47 HG23 THR 47 -4.562 13.145 24.040 346 H GLU 48 HN GLU 48 -7.548 16.262 22.810 347 HA GLU 48 HA GLU 48 -9.617 15.893 20.980 348 HB2 GLU 48 HB2 GLU 48 -9.872 17.098 23.021 349 HB3 GLU 48 HB1 GLU 48 -8.624 18.242 22.563 350 HG2 GLU 48 HG2 GLU 48 -10.158 19.011 20.722 351 HG3 GLU 48 HG1 GLU 48 -11.394 17.949 21.397 352 H THR 49 HN THR 49 -6.605 17.688 20.806 353 HA THR 49 HA THR 49 -7.344 19.102 18.404 354 HB THR 49 HB THR 49 -4.884 19.827 18.526 355 HG1 THR 49 HG1 THR 49 -4.053 18.232 19.869 356 HG21 THR 49 HG21 THR 49 -5.348 21.390 20.381 357 HG22 THR 49 HG22 THR 49 -6.748 20.417 20.832 358 HG23 THR 49 HG23 THR 49 -6.717 21.251 19.279 359 H MET 50 HN MET 50 -6.802 16.007 18.755 360 HA MET 50 HA MET 50 -4.987 15.691 16.471 361 HB2 MET 50 HB2 MET 50 -5.933 13.788 18.598 362 HB3 MET 50 HB1 MET 50 -5.050 13.270 17.173 363 HG2 MET 50 HG2 MET 50 -3.148 14.577 17.824 364 HG3 MET 50 HG1 MET 50 -4.042 15.251 19.186 365 HE1 MET 50 HE1 MET 50 -4.226 11.506 17.967 366 HE2 MET 50 HE2 MET 50 -2.858 10.809 18.839 367 HE3 MET 50 HE3 MET 50 -2.584 12.018 17.584 368 H ARG 51 HN ARG 51 -8.098 16.203 16.836 369 HA ARG 51 HA ARG 51 -9.204 13.899 15.503 370 HB2 ARG 51 HB2 ARG 51 -10.469 16.535 16.249 371 HB3 ARG 51 HB1 ARG 51 -11.328 15.137 15.626 372 HG2 ARG 51 HG2 ARG 51 -10.670 13.851 17.604 373 HG3 ARG 51 HG1 ARG 51 -9.807 15.259 18.220 374 HD2 ARG 51 HD2 ARG 51 -11.896 16.524 18.254 375 HD3 ARG 51 HD1 ARG 51 -12.760 15.115 17.638 376 HE ARG 51 HE ARG 51 -11.717 15.513 20.329 377 HH11 ARG 51 HH11 ARG 51 -13.156 13.305 18.017 378 HH12 ARG 51 HH12 ARG 51 -13.771 12.245 19.235 379 HH21 ARG 51 HH21 ARG 51 -12.499 14.134 21.903 380 HH22 ARG 51 HH22 ARG 51 -13.396 12.708 21.464 381 H THR 52 HN THR 52 -8.756 13.658 13.412 382 HA THR 52 HA THR 52 -8.411 14.033 11.218 383 HB THR 52 HB THR 52 -10.266 15.355 10.083 384 HG1 THR 52 HG1 THR 52 -10.649 16.465 12.280 385 HG21 THR 52 HG21 THR 52 -11.926 13.618 10.526 386 HG22 THR 52 HG22 THR 52 -11.028 13.121 11.960 387 HG23 THR 52 HG23 THR 52 -10.313 12.924 10.362 388 HA PRO 53 HA PRO 53 -5.928 17.874 11.483 389 HB2 PRO 53 HB2 PRO 53 -4.074 16.921 9.682 390 HB3 PRO 53 HB1 PRO 53 -3.969 16.694 11.431 391 HG2 PRO 53 HG2 PRO 53 -4.953 14.817 9.325 392 HG3 PRO 53 HG1 PRO 53 -3.971 14.475 10.762 393 HD2 PRO 53 HD2 PRO 53 -6.591 13.931 10.676 394 HD3 PRO 53 HD1 PRO 53 -5.809 14.483 12.171 395 H GLY 54 HN GLY 54 -6.726 19.497 10.340 396 HA2 GLY 54 HA2 GLY 54 -6.554 20.572 8.101 397 HA3 GLY 54 HA1 GLY 54 -7.268 19.094 7.469 398 H TYR 55 HN TYR 55 -9.149 18.727 9.583 399 HA TYR 55 HA TYR 55 -10.849 21.095 9.311 400 HB2 TYR 55 HB2 TYR 55 -11.589 18.257 8.635 401 HB3 TYR 55 HB1 TYR 55 -12.817 19.419 9.125 402 HD1 TYR 55 HD1 TYR 55 -10.327 18.596 6.518 403 HD2 TYR 55 HD2 TYR 55 -13.522 21.158 7.662 404 HE1 TYR 55 HE1 TYR 55 -10.454 19.463 4.215 405 HE2 TYR 55 HE2 TYR 55 -13.661 22.022 5.372 406 HH TYR 55 HH TYR 55 -12.281 20.566 2.753 407 H PHE 56 HN PHE 56 -10.548 21.745 11.367 408 HA PHE 56 HA PHE 56 -11.365 19.878 13.475 409 HB2 PHE 56 HB2 PHE 56 -9.773 22.443 13.730 410 HB3 PHE 56 HB1 PHE 56 -10.285 21.396 15.055 411 HD1 PHE 56 HD1 PHE 56 -7.984 21.740 12.220 412 HD2 PHE 56 HD2 PHE 56 -9.182 19.330 15.512 413 HE1 PHE 56 HE1 PHE 56 -5.906 20.437 12.020 414 HE2 PHE 56 HE2 PHE 56 -7.107 18.023 15.315 415 HZ PHE 56 HZ PHE 56 -5.467 18.576 13.570 416 H PHE 57 HN PHE 57 -12.565 20.807 15.242 417 HA PHE 57 HA PHE 57 -14.442 22.886 14.364 418 HB2 PHE 57 HB2 PHE 57 -16.187 21.600 15.610 419 HB3 PHE 57 HB1 PHE 57 -15.513 20.666 14.290 420 HD1 PHE 57 HD2 PHE 57 -13.754 19.001 14.810 421 HD2 PHE 57 HD1 PHE 57 -16.161 20.844 17.770 422 HE1 PHE 57 HE2 PHE 57 -13.189 17.240 16.339 423 HE2 PHE 57 HE1 PHE 57 -15.610 19.065 19.333 424 HZ PHE 57 HZ PHE 57 -14.115 17.225 18.641 425 H GLN 58 HN GLN 58 -15.629 23.802 16.318 426 HA GLN 58 HA GLN 58 -13.894 23.922 18.670 427 HB2 GLN 58 HB2 GLN 58 -13.885 26.297 18.740 428 HB3 GLN 58 HB1 GLN 58 -13.432 25.860 17.106 429 HG2 GLN 58 HG2 GLN 58 -16.155 26.819 17.990 430 HG3 GLN 58 HG1 GLN 58 -14.945 27.774 17.144 431 HE21 GLN 58 HE21 GLN 58 -17.389 25.373 16.887 432 HE22 GLN 58 HE22 GLN 58 -17.432 25.295 15.157 433 H GLN 59 HN GLN 59 -15.111 25.242 20.444 434 HA GLN 59 HA GLN 59 -17.757 24.050 20.615 435 HB2 GLN 59 HB2 GLN 59 -15.917 24.070 22.475 436 HB3 GLN 59 HB1 GLN 59 -16.462 25.714 22.760 437 HG2 GLN 59 HG2 GLN 59 -18.718 24.900 23.236 438 HG3 GLN 59 HG1 GLN 59 -18.201 23.255 22.881 439 HE21 GLN 59 HE21 GLN 59 -18.770 22.550 24.913 440 HE22 GLN 59 HE22 GLN 59 -17.840 22.928 26.319 441 H ALA 60 HN ALA 60 -18.304 26.467 22.553 442 HA ALA 60 HA ALA 60 -19.358 28.488 22.498 443 HB1 ALA 60 HB1 ALA 60 -18.142 28.723 19.732 444 HB2 ALA 60 HB2 ALA 60 -17.452 29.345 21.230 445 HB3 ALA 60 HB3 ALA 60 -18.938 30.038 20.590 446 HA PRO 61 HA PRO 61 -23.350 27.778 20.709 447 HB2 PRO 61 HB2 PRO 61 -24.127 30.259 19.810 448 HB3 PRO 61 HB1 PRO 61 -24.214 29.746 21.499 449 HG2 PRO 61 HG2 PRO 61 -22.110 31.366 20.114 450 HG3 PRO 61 HG1 PRO 61 -22.853 31.624 21.705 451 HD2 PRO 61 HD2 PRO 61 -20.437 30.534 21.498 452 HD3 PRO 61 HD1 PRO 61 -21.594 29.940 22.700 453 H ASN 62 HN ASN 62 -24.390 27.397 18.769 454 HA ASN 62 HA ASN 62 -24.631 26.955 16.554 455 HB2 ASN 62 HB2 ASN 62 -22.916 29.434 16.275 456 HB3 ASN 62 HB1 ASN 62 -23.626 28.591 14.906 457 HD21 ASN 62 HD21 ASN 62 -25.846 28.702 14.581 458 HD22 ASN 62 HD22 ASN 62 -26.837 29.866 15.388 459 H ARG 63 HN ARG 63 -22.313 25.882 18.144 460 HA ARG 63 HA ARG 63 -20.223 25.520 16.206 461 HB2 ARG 63 HB2 ARG 63 -19.062 24.233 17.794 462 HB3 ARG 63 HB1 ARG 63 -19.928 25.392 18.754 463 HG2 ARG 63 HG2 ARG 63 -20.821 22.569 18.321 464 HG3 ARG 63 HG1 ARG 63 -19.920 23.145 19.721 465 HD2 ARG 63 HD2 ARG 63 -21.797 24.726 20.187 466 HD3 ARG 63 HD1 ARG 63 -22.698 23.966 18.865 467 HE ARG 63 HE ARG 63 -21.920 21.907 20.516 468 HH11 ARG 63 HH11 ARG 63 -23.899 24.787 20.840 469 HH12 ARG 63 HH12 ARG 63 -24.868 24.132 22.113 470 HH21 ARG 63 HH21 ARG 63 -23.212 21.042 22.201 471 HH22 ARG 63 HH22 ARG 63 -24.489 21.994 22.877 472 H ARG 64 HN ARG 64 -23.140 24.102 16.894 473 HA ARG 64 HA ARG 64 -24.243 22.240 16.310 474 HB2 ARG 64 HB2 ARG 64 -22.241 22.032 14.076 475 HB3 ARG 64 HB1 ARG 64 -23.895 21.444 14.140 476 HG2 ARG 64 HG2 ARG 64 -23.324 24.357 14.368 477 HG3 ARG 64 HG1 ARG 64 -23.394 23.578 12.792 478 HD2 ARG 64 HD2 ARG 64 -25.542 24.514 13.297 479 HD3 ARG 64 HD1 ARG 64 -25.656 22.761 13.347 480 HE ARG 64 HE ARG 64 -25.182 23.729 15.955 481 HH11 ARG 64 HH11 ARG 64 -27.661 23.703 13.472 482 HH12 ARG 64 HH12 ARG 64 -28.982 23.783 14.586 483 HH21 ARG 64 HH21 ARG 64 -26.951 23.830 17.457 484 HH22 ARG 64 HH22 ARG 64 -28.573 23.862 16.857 485 H ARG 65 HN ARG 65 -23.805 19.794 15.764 486 HA ARG 65 HA ARG 65 -21.337 19.110 17.104 487 HB2 ARG 65 HB2 ARG 65 -24.041 17.754 17.263 488 HB3 ARG 65 HB1 ARG 65 -22.561 16.981 17.799 489 HG2 ARG 65 HG2 ARG 65 -22.984 17.886 19.793 490 HG3 ARG 65 HG1 ARG 65 -22.482 19.414 19.065 491 HD2 ARG 65 HD2 ARG 65 -24.626 19.663 20.186 492 HD3 ARG 65 HD1 ARG 65 -24.800 19.879 18.446 493 HE ARG 65 HE ARG 65 -25.331 17.221 18.923 494 HH11 ARG 65 HH11 ARG 65 -26.701 20.278 19.984 495 HH12 ARG 65 HH12 ARG 65 -28.293 19.634 20.169 496 HH21 ARG 65 HH21 ARG 65 -27.431 16.380 19.160 497 HH22 ARG 65 HH22 ARG 65 -28.718 17.415 19.691 498 H ILE 66 HN ILE 66 -20.244 17.267 16.212 499 HA ILE 66 HA ILE 66 -19.255 16.253 14.514 500 HB ILE 66 HB ILE 66 -20.904 14.507 14.962 501 HG12 ILE 66 HG12 ILE 66 -20.410 14.751 11.995 502 HG13 ILE 66 HG11 ILE 66 -19.194 14.249 13.163 503 HG21 ILE 66 HG21 ILE 66 -22.566 15.778 12.799 504 HG22 ILE 66 HG22 ILE 66 -22.980 15.662 14.510 505 HG23 ILE 66 HG23 ILE 66 -22.878 14.201 13.525 506 HD11 ILE 66 HD11 ILE 66 -20.588 12.322 13.741 507 HD12 ILE 66 HD12 ILE 66 -20.128 12.347 12.036 508 HD13 ILE 66 HD13 ILE 66 -21.757 12.824 12.519 509 H SER 67 HN SER 67 -18.303 16.804 12.807 510 HA SER 67 HA SER 67 -19.262 19.081 11.374 511 HB2 SER 67 HB2 SER 67 -16.756 17.444 11.077 512 HB3 SER 67 HB1 SER 67 -17.082 18.945 10.218 513 HG SER 67 HG SER 67 -16.681 18.525 12.981 514 H ARG 68 HN ARG 68 -19.945 15.961 10.956 515 HA ARG 68 HA ARG 68 -20.297 16.210 8.034 516 HB2 ARG 68 HB2 ARG 68 -19.670 13.711 9.611 517 HB3 ARG 68 HB1 ARG 68 -19.928 13.797 7.876 518 HG2 ARG 68 HG2 ARG 68 -17.938 15.105 7.588 519 HG3 ARG 68 HG1 ARG 68 -17.716 15.216 9.334 520 HD2 ARG 68 HD2 ARG 68 -17.590 12.710 7.660 521 HD3 ARG 68 HD1 ARG 68 -16.230 13.544 8.417 522 HE ARG 68 HE ARG 68 -17.929 11.647 9.641 523 HH11 ARG 68 HH11 ARG 68 -16.254 14.670 10.378 524 HH12 ARG 68 HH12 ARG 68 -16.261 14.404 12.084 525 HH21 ARG 68 HH21 ARG 68 -17.853 11.270 11.891 526 HH22 ARG 68 HH22 ARG 68 -17.130 12.441 12.937 527 H GLU 69 HN GLU 69 -22.185 15.111 7.196 528 HA GLU 69 HA GLU 69 -24.394 15.209 9.007 529 HB2 GLU 69 HB2 GLU 69 -25.731 14.413 7.020 530 HB3 GLU 69 HB1 GLU 69 -24.851 15.908 6.766 531 HG2 GLU 69 HG2 GLU 69 -23.641 13.313 5.918 532 HG3 GLU 69 HG1 GLU 69 -24.887 14.067 4.928 533 H HIS 70 HN HIS 70 -25.220 13.641 10.192 534 HA HIS 70 HA HIS 70 -24.372 10.871 9.665 535 HB2 HIS 70 HB2 HIS 70 -24.243 10.488 12.060 536 HB3 HIS 70 HB1 HIS 70 -23.221 11.853 11.631 537 HD2 HIS 70 HD2 HIS 70 -25.357 11.061 14.464 538 HE1 HIS 70 HE1 HIS 70 -26.167 15.174 13.813 539 HE2 HIS 70 HE2 HIS 70 -26.126 13.315 15.500 540 H GLY 71 HN GLY 71 -25.813 9.255 10.740 541 HA2 GLY 71 HA2 GLY 71 -28.604 10.070 10.369 542 HA3 GLY 71 HA1 GLY 71 -27.997 8.419 10.324 543 H ARG 72 HN ARG 72 -29.499 7.713 11.851 544 HA ARG 72 HA ARG 72 -29.435 8.921 14.504 545 HB2 ARG 72 HB2 ARG 72 -31.061 6.640 13.411 546 HB3 ARG 72 HB1 ARG 72 -31.206 7.287 15.037 547 HG2 ARG 72 HG2 ARG 72 -31.900 9.439 14.132 548 HG3 ARG 72 HG1 ARG 72 -31.738 8.803 12.493 549 HD2 ARG 72 HD2 ARG 72 -33.591 7.717 14.610 550 HD3 ARG 72 HD1 ARG 72 -34.072 8.786 13.296 551 HE ARG 72 HE ARG 72 -33.429 5.972 13.130 552 HH11 ARG 72 HH11 ARG 72 -34.060 8.956 11.389 553 HH12 ARG 72 HH12 ARG 72 -34.387 8.169 9.889 554 HH21 ARG 72 HH21 ARG 72 -33.850 4.929 11.125 555 HH22 ARG 72 HH22 ARG 72 -34.260 5.877 9.735 556 H THR 73 HN THR 73 -28.972 5.689 13.182 557 HA THR 73 HA THR 73 -27.410 5.103 15.574 558 HB THR 73 HB THR 73 -27.916 2.724 14.946 559 HG1 THR 73 HG1 THR 73 -29.701 2.415 13.558 560 HG21 THR 73 HG21 THR 73 -30.177 2.796 15.945 561 HG22 THR 73 HG22 THR 73 -30.209 4.541 15.687 562 HG23 THR 73 HG23 THR 73 -29.037 3.835 16.800 563 H TRP 74 HN TRP 74 -26.777 6.185 12.709 564 HA TRP 74 HA TRP 74 -24.356 4.592 12.421 565 HB2 TRP 74 HB2 TRP 74 -24.578 4.497 9.983 566 HB3 TRP 74 HB1 TRP 74 -25.937 3.695 10.752 567 HD1 TRP 74 HD1 TRP 74 -28.355 4.747 10.371 568 HE1 TRP 74 HE1 TRP 74 -29.252 6.520 8.726 569 HE3 TRP 74 HE3 TRP 74 -23.908 6.719 8.770 570 HZ2 TRP 74 HZ2 TRP 74 -28.216 8.482 6.987 571 HZ3 TRP 74 HZ3 TRP 74 -23.953 8.543 7.117 572 HH2 TRP 74 HH2 TRP 74 -26.066 9.403 6.246 573 H THR 75 HN THR 75 -22.617 5.727 11.596 574 HA THR 75 HA THR 75 -23.034 8.493 10.815 575 HB THR 75 HB THR 75 -22.581 8.539 13.283 576 HG1 THR 75 HG1 THR 75 -20.816 10.062 13.089 577 HG21 THR 75 HG21 THR 75 -19.932 7.352 12.451 578 HG22 THR 75 HG22 THR 75 -21.123 6.627 13.538 579 HG23 THR 75 HG23 THR 75 -20.251 8.089 14.017 580 H LYS 76 HN LYS 76 -21.370 9.296 9.482 581 HA LYS 76 HA LYS 76 -19.709 7.165 8.385 582 HB2 LYS 76 HB2 LYS 76 -19.353 8.590 6.438 583 HB3 LYS 76 HB1 LYS 76 -21.074 8.445 6.764 584 HG2 LYS 76 HG2 LYS 76 -21.133 10.625 7.731 585 HG3 LYS 76 HG1 LYS 76 -19.382 10.782 7.564 586 HD2 LYS 76 HD2 LYS 76 -19.593 10.624 5.140 587 HD3 LYS 76 HD1 LYS 76 -21.346 10.451 5.300 588 HE2 LYS 76 HE2 LYS 76 -21.483 12.601 6.333 589 HE3 LYS 76 HE1 LYS 76 -19.735 12.800 6.251 590 HZ1 LYS 76 HZ1 LYS 76 -21.013 13.967 4.490 591 HZ2 LYS 76 HZ2 LYS 76 -21.450 12.461 3.850 592 HZ3 LYS 76 HZ3 LYS 76 -19.819 12.922 3.909 593 H LEU 77 HN LEU 77 -17.595 7.150 8.517 594 HA LEU 77 HA LEU 77 -16.362 9.270 10.110 595 HB2 LEU 77 HB2 LEU 77 -15.337 6.490 9.567 596 HB3 LEU 77 HB1 LEU 77 -14.666 7.657 10.689 597 HG LEU 77 HG LEU 77 -17.301 6.220 10.939 598 HD11 LEU 77 HD11 LEU 77 -15.375 4.854 11.489 599 HD12 LEU 77 HD12 LEU 77 -16.295 5.254 12.942 600 HD13 LEU 77 HD13 LEU 77 -14.787 6.102 12.591 601 HD21 LEU 77 HD21 LEU 77 -17.570 8.480 11.739 602 HD22 LEU 77 HD22 LEU 77 -16.095 8.347 12.695 603 HD23 LEU 77 HD23 LEU 77 -17.506 7.366 13.105 604 H THR 78 HN THR 78 -15.262 10.681 8.995 605 HA THR 78 HA THR 78 -13.855 9.811 6.574 606 HB THR 78 HB THR 78 -14.690 12.610 7.401 607 HG1 THR 78 HG1 THR 78 -15.934 10.590 5.965 608 HG21 THR 78 HG21 THR 78 -12.687 12.592 5.984 609 HG22 THR 78 HG22 THR 78 -14.073 13.221 5.093 610 HG23 THR 78 HG23 THR 78 -13.514 11.573 4.808 611 H TYR 79 HN TYR 79 -11.776 9.419 7.035 612 HA TYR 79 HA TYR 79 -10.547 10.883 9.252 613 HB2 TYR 79 HB2 TYR 79 -9.936 8.261 7.941 614 HB3 TYR 79 HB1 TYR 79 -8.727 9.080 8.920 615 HD1 TYR 79 HD1 TYR 79 -12.027 7.435 8.979 616 HD2 TYR 79 HD2 TYR 79 -8.902 9.141 11.306 617 HE1 TYR 79 HE1 TYR 79 -12.995 6.440 11.007 618 HE2 TYR 79 HE2 TYR 79 -9.865 8.149 13.341 619 HH TYR 79 HH TYR 79 -11.851 7.244 14.185 620 H ALA 80 HN ALA 80 -10.746 11.149 5.998 621 HA ALA 80 HA ALA 80 -9.662 12.357 4.423 622 HB1 ALA 80 HB1 ALA 80 -8.019 14.039 5.082 623 HB2 ALA 80 HB2 ALA 80 -7.902 13.310 6.683 624 HB3 ALA 80 HB3 ALA 80 -9.410 14.062 6.165 625 H ASN 81 HN ASN 81 -7.199 11.035 6.623 626 HA ASN 81 HA ASN 81 -5.443 10.424 4.405 627 HB2 ASN 81 HB2 ASN 81 -5.211 9.926 7.376 628 HB3 ASN 81 HB1 ASN 81 -3.988 9.431 6.215 629 HD21 ASN 81 HD21 ASN 81 -4.315 11.775 4.541 630 HD22 ASN 81 HD22 ASN 81 -3.597 13.087 5.396 631 H HIS 82 HN HIS 82 -4.957 8.440 3.632 632 HA HIS 82 HA HIS 82 -6.982 6.473 3.755 633 HB2 HIS 82 HB2 HIS 82 -5.467 6.874 1.788 634 HB3 HIS 82 HB1 HIS 82 -4.169 6.106 2.696 635 HD2 HIS 82 HD2 HIS 82 -4.263 3.310 2.769 636 HE1 HIS 82 HE1 HIS 82 -7.772 2.916 0.421 637 HE2 HIS 82 HE2 HIS 82 -5.917 1.697 1.599 638 H SER 83 HN SER 83 -3.915 6.870 5.404 639 HA SER 83 HA SER 83 -3.579 4.270 6.387 640 HB2 SER 83 HB2 SER 83 -2.184 5.449 8.155 641 HB3 SER 83 HB1 SER 83 -1.744 5.791 6.481 642 HG SER 83 HG SER 83 -2.490 7.505 8.389 643 H SER 84 HN SER 84 -5.169 7.085 7.865 644 HA SER 84 HA SER 84 -6.039 5.618 10.142 645 HB2 SER 84 HB2 SER 84 -7.486 7.722 10.458 646 HB3 SER 84 HB1 SER 84 -5.733 7.923 10.502 647 HG SER 84 HG SER 84 -6.930 9.458 9.163 648 H TYR 85 HN TYR 85 -7.360 6.415 7.022 649 HA TYR 85 HA TYR 85 -10.050 5.757 7.375 650 HB2 TYR 85 HB2 TYR 85 -9.435 6.843 5.361 651 HB3 TYR 85 HB1 TYR 85 -8.209 5.639 4.998 652 HD1 TYR 85 HD1 TYR 85 -11.868 6.237 5.069 653 HD2 TYR 85 HD2 TYR 85 -8.724 3.687 3.773 654 HE1 TYR 85 HE1 TYR 85 -13.459 5.003 3.630 655 HE2 TYR 85 HE2 TYR 85 -10.279 2.456 2.344 656 HH TYR 85 HH TYR 85 -12.673 2.018 2.192 657 H LEU 86 HN LEU 86 -7.324 3.664 6.404 658 HA LEU 86 HA LEU 86 -8.879 1.407 5.944 659 HB2 LEU 86 HB2 LEU 86 -6.663 1.686 5.023 660 HB3 LEU 86 HB1 LEU 86 -5.965 1.680 6.631 661 HG LEU 86 HG LEU 86 -6.621 -0.603 6.943 662 HD11 LEU 86 HD11 LEU 86 -7.517 -1.929 5.041 663 HD12 LEU 86 HD12 LEU 86 -7.709 -0.430 4.131 664 HD13 LEU 86 HD13 LEU 86 -8.639 -0.692 5.606 665 HD21 LEU 86 HD21 LEU 86 -5.110 -1.636 5.318 666 HD22 LEU 86 HD22 LEU 86 -4.447 -0.133 5.963 667 HD23 LEU 86 HD23 LEU 86 -5.164 -0.164 4.351 668 H ARG 87 HN ARG 87 -7.253 2.586 8.838 669 HA ARG 87 HA ARG 87 -7.724 0.242 10.359 670 HB2 ARG 87 HB2 ARG 87 -6.995 3.049 11.149 671 HB3 ARG 87 HB1 ARG 87 -7.253 1.778 12.338 672 HG2 ARG 87 HG2 ARG 87 -5.491 0.450 11.338 673 HG3 ARG 87 HG1 ARG 87 -5.253 1.674 10.095 674 HD2 ARG 87 HD2 ARG 87 -4.546 3.276 11.771 675 HD3 ARG 87 HD1 ARG 87 -4.879 2.110 13.054 676 HE ARG 87 HE ARG 87 -3.041 0.815 12.337 677 HH11 ARG 87 HH11 ARG 87 -3.272 3.899 10.648 678 HH12 ARG 87 HH12 ARG 87 -1.651 3.820 10.053 679 HH21 ARG 87 HH21 ARG 87 -0.901 0.736 11.533 680 HH22 ARG 87 HH22 ARG 87 -0.309 2.035 10.550 681 H ALA 88 HN ALA 88 -9.771 2.788 9.425 682 HA ALA 88 HA ALA 88 -11.649 2.555 11.583 683 HB1 ALA 88 HB1 ALA 88 -11.485 4.629 10.322 684 HB2 ALA 88 HB2 ALA 88 -13.106 3.948 10.170 685 HB3 ALA 88 HB3 ALA 88 -11.953 3.786 8.845 686 H LEU 89 HN LEU 89 -10.895 0.651 8.933 687 HA LEU 89 HA LEU 89 -13.462 -0.309 8.177 688 HB2 LEU 89 HB2 LEU 89 -10.661 -1.105 7.593 689 HB3 LEU 89 HB1 LEU 89 -11.912 -2.292 7.308 690 HG LEU 89 HG LEU 89 -11.242 -0.994 5.286 691 HD11 LEU 89 HD11 LEU 89 -14.103 -0.705 6.168 692 HD12 LEU 89 HD12 LEU 89 -13.377 -2.099 5.364 693 HD13 LEU 89 HD13 LEU 89 -13.516 -0.564 4.508 694 HD21 LEU 89 HD21 LEU 89 -12.559 1.291 6.745 695 HD22 LEU 89 HD22 LEU 89 -12.101 1.298 5.043 696 HD23 LEU 89 HD23 LEU 89 -10.859 1.180 6.291 697 H ARG 90 HN ARG 90 -11.875 -0.763 11.007 698 HA ARG 90 HA ARG 90 -11.694 -3.259 11.889 699 HB2 ARG 90 HB2 ARG 90 -13.260 -1.087 13.266 700 HB3 ARG 90 HB1 ARG 90 -12.787 -2.587 14.043 701 HG2 ARG 90 HG2 ARG 90 -10.881 -0.570 12.890 702 HG3 ARG 90 HG1 ARG 90 -11.337 -0.679 14.590 703 HD2 ARG 90 HD2 ARG 90 -10.491 -3.026 14.592 704 HD3 ARG 90 HD1 ARG 90 -9.893 -2.758 12.957 705 HE ARG 90 HE ARG 90 -8.972 -1.236 15.314 706 HH11 ARG 90 HH11 ARG 90 -8.331 -2.771 12.223 707 HH12 ARG 90 HH12 ARG 90 -6.651 -2.383 12.228 708 HH21 ARG 90 HH21 ARG 90 -6.766 -0.720 15.336 709 HH22 ARG 90 HH22 ARG 90 -5.746 -1.206 14.025 710 H GLU 91 HN GLU 91 -12.816 -4.883 11.004 711 HA GLU 91 HA GLU 91 -15.307 -5.531 12.184 712 HB2 GLU 91 HB2 GLU 91 -15.859 -4.042 10.092 713 HB3 GLU 91 HB1 GLU 91 -15.449 -5.490 9.182 714 HG2 GLU 91 HG2 GLU 91 -17.573 -5.335 11.323 715 HG3 GLU 91 HG1 GLU 91 -17.873 -5.252 9.589 716 H HIS 92 HN HIS 92 -13.768 -7.041 12.876 717 HA HIS 92 HA HIS 92 -13.465 -9.282 10.995 718 HB2 HIS 92 HB2 HIS 92 -11.292 -8.063 11.508 719 HB3 HIS 92 HB1 HIS 92 -11.503 -8.535 13.187 720 HD2 HIS 92 HD2 HIS 92 -11.094 -10.438 9.736 721 HE1 HIS 92 HE1 HIS 92 -9.321 -12.716 12.840 722 HE2 HIS 92 HE2 HIS 92 -9.579 -12.436 10.352 723 H GLY 93 HN GLY 93 -15.651 -8.777 12.643 724 HA2 GLY 93 HA2 GLY 93 -16.964 -10.059 14.077 725 HA3 GLY 93 HA1 GLY 93 -15.548 -11.037 14.454 726 H THR 94 HN THR 94 -15.287 -7.630 14.552 727 HA THR 94 HA THR 94 -14.393 -7.562 17.212 728 HB THR 94 HB THR 94 -15.392 -5.249 15.536 729 HG1 THR 94 HG1 THR 94 -12.688 -6.068 15.722 730 HG21 THR 94 HG21 THR 94 -13.787 -3.940 16.865 731 HG22 THR 94 HG22 THR 94 -13.394 -5.382 17.805 732 HG23 THR 94 HG23 THR 94 -15.014 -4.688 17.888 733 H ILE 95 HN ILE 95 -15.735 -8.057 18.831 734 HA ILE 95 HA ILE 95 -18.520 -7.228 18.736 735 HB ILE 95 HB ILE 95 -17.046 -8.961 20.733 736 HG12 ILE 95 HG12 ILE 95 -19.060 -9.755 18.616 737 HG13 ILE 95 HG11 ILE 95 -17.314 -9.887 18.415 738 HG21 ILE 95 HG21 ILE 95 -18.945 -7.827 21.764 739 HG22 ILE 95 HG22 ILE 95 -19.272 -9.551 21.581 740 HG23 ILE 95 HG23 ILE 95 -20.003 -8.394 20.472 741 HD11 ILE 95 HD11 ILE 95 -18.260 -12.022 19.015 742 HD12 ILE 95 HD12 ILE 95 -18.994 -11.322 20.457 743 HD13 ILE 95 HD13 ILE 95 -17.238 -11.430 20.324 744 H TYR 96 HN TYR 96 -19.144 -5.411 19.635 745 HA TYR 96 HA TYR 96 -17.853 -4.495 22.078 746 HB2 TYR 96 HB2 TYR 96 -16.874 -3.384 19.921 747 HB3 TYR 96 HB1 TYR 96 -18.405 -2.517 19.879 748 HD1 TYR 96 HD2 TYR 96 -18.976 -0.941 21.679 749 HD2 TYR 96 HD1 TYR 96 -15.200 -2.880 21.543 750 HE1 TYR 96 HE2 TYR 96 -18.101 0.675 23.286 751 HE2 TYR 96 HE1 TYR 96 -14.299 -1.270 23.157 752 HH TYR 96 HH TYR 96 -16.227 0.757 24.996 753 H CYS 97 HN CYS 97 -19.308 -3.639 23.480 754 HA CYS 97 HA CYS 97 -21.263 -2.974 24.387 755 HB2 CYS 97 HB2 CYS 97 -21.893 -2.213 21.534 756 HB3 CYS 97 HB1 CYS 97 -23.021 -1.930 22.858 757 HG CYS 97 HG CYS 97 -20.385 -0.638 24.014 758 H GLY 98 HN GLY 98 -20.796 -5.700 23.045 759 HA2 GLY 98 HA2 GLY 98 -22.078 -7.595 23.760 760 HA3 GLY 98 HA1 GLY 98 -23.534 -6.634 23.581 761 H ALA 99 HN ALA 99 -21.987 -5.843 20.882 762 HA ALA 99 HA ALA 99 -22.580 -8.279 19.388 763 HB1 ALA 99 HB1 ALA 99 -24.697 -7.052 19.438 764 HB2 ALA 99 HB2 ALA 99 -24.025 -7.121 17.808 765 HB3 ALA 99 HB3 ALA 99 -23.892 -5.639 18.754 766 H ALA 100 HN ALA 100 -21.822 -8.142 17.143 767 HA ALA 100 HA ALA 100 -19.309 -6.781 17.008 768 HB1 ALA 100 HB1 ALA 100 -19.092 -7.816 14.818 769 HB2 ALA 100 HB2 ALA 100 -20.786 -8.305 14.867 770 HB3 ALA 100 HB3 ALA 100 -19.633 -9.001 16.007 771 H ILE 101 HN ILE 101 -18.848 -4.882 16.067 772 HA ILE 101 HA ILE 101 -21.078 -3.360 15.026 773 HB ILE 101 HB ILE 101 -19.521 -1.421 14.990 774 HG12 ILE 101 HG12 ILE 101 -17.540 -3.289 16.326 775 HG13 ILE 101 HG11 ILE 101 -17.405 -2.714 14.668 776 HG21 ILE 101 HG21 ILE 101 -19.708 -2.894 17.613 777 HG22 ILE 101 HG22 ILE 101 -20.912 -1.805 16.919 778 HG23 ILE 101 HG23 ILE 101 -19.345 -1.177 17.429 779 HD11 ILE 101 HD11 ILE 101 -17.218 -0.407 15.489 780 HD12 ILE 101 HD12 ILE 101 -15.960 -1.439 16.162 781 HD13 ILE 101 HD13 ILE 101 -17.350 -0.990 17.149 782 H GLY 102 HN GLY 102 -21.397 -2.799 12.960 783 HA2 GLY 102 HA2 GLY 102 -19.640 -4.134 11.030 784 HA3 GLY 102 HA1 GLY 102 -21.309 -3.667 10.747 785 H CYS 103 HN CYS 103 -18.305 -3.021 9.828 786 HA CYS 103 HA CYS 103 -18.937 -0.215 9.245 787 HB2 CYS 103 HB2 CYS 103 -17.119 -0.236 10.820 788 HB3 CYS 103 HB1 CYS 103 -16.261 -1.458 9.886 789 HG CYS 103 HG CYS 103 -15.000 1.059 9.677 790 H VAL 104 HN VAL 104 -19.071 0.241 7.171 791 HA VAL 104 HA VAL 104 -17.468 -1.227 5.211 792 HB VAL 104 HB VAL 104 -19.430 -1.370 3.649 793 HG11 VAL 104 HG11 VAL 104 -19.772 -2.907 6.217 794 HG12 VAL 104 HG12 VAL 104 -18.725 -3.347 4.871 795 HG13 VAL 104 HG13 VAL 104 -20.472 -3.327 4.653 796 HG21 VAL 104 HG21 VAL 104 -20.832 0.323 4.661 797 HG22 VAL 104 HG22 VAL 104 -21.031 -0.676 6.103 798 HG23 VAL 104 HG23 VAL 104 -21.694 -1.213 4.557 799 HA PRO 105 HA PRO 105 -16.854 2.786 3.421 800 HB2 PRO 105 HB2 PRO 105 -17.149 2.259 0.733 801 HB3 PRO 105 HB1 PRO 105 -15.680 1.915 1.653 802 HG2 PRO 105 HG2 PRO 105 -17.916 0.072 0.902 803 HG3 PRO 105 HG1 PRO 105 -16.165 -0.221 0.868 804 HD2 PRO 105 HD2 PRO 105 -17.680 -1.175 2.840 805 HD3 PRO 105 HD1 PRO 105 -16.055 -0.545 3.165 806 H TYR 106 HN TYR 106 -17.985 4.560 2.541 807 HA TYR 106 HA TYR 106 -20.742 4.610 3.007 808 HB2 TYR 106 HB2 TYR 106 -19.186 6.589 3.008 809 HB3 TYR 106 HB1 TYR 106 -19.200 6.534 1.251 810 HD1 TYR 106 HD2 TYR 106 -21.328 7.059 0.020 811 HD2 TYR 106 HD1 TYR 106 -20.995 7.564 4.232 812 HE1 TYR 106 HE2 TYR 106 -23.321 8.499 -0.001 813 HE2 TYR 106 HE1 TYR 106 -22.991 9.006 4.219 814 HH TYR 106 HH TYR 106 -25.083 9.250 1.559 815 H LYS 107 HN LYS 107 -22.301 3.719 1.897 816 HA LYS 107 HA LYS 107 -22.217 3.831 -1.020 817 HB2 LYS 107 HB2 LYS 107 -23.011 1.467 0.676 818 HB3 LYS 107 HB1 LYS 107 -23.451 1.609 -1.013 819 HG2 LYS 107 HG2 LYS 107 -21.045 1.730 -1.583 820 HG3 LYS 107 HG1 LYS 107 -20.669 1.464 0.123 821 HD2 LYS 107 HD2 LYS 107 -21.783 -0.688 0.057 822 HD3 LYS 107 HD1 LYS 107 -22.268 -0.408 -1.618 823 HE2 LYS 107 HE2 LYS 107 -19.901 -0.325 -2.268 824 HE3 LYS 107 HE1 LYS 107 -19.441 -0.663 -0.599 825 HZ1 LYS 107 HZ1 LYS 107 -20.510 -2.782 -0.728 826 HZ2 LYS 107 HZ2 LYS 107 -19.448 -2.647 -2.037 827 HZ3 LYS 107 HZ3 LYS 107 -21.110 -2.449 -2.272 828 H HIS 108 HN HIS 108 -24.093 4.339 -2.007 829 HA HIS 108 HA HIS 108 -25.933 5.879 -0.563 830 HB2 HIS 108 HB2 HIS 108 -25.460 6.231 -2.950 831 HB3 HIS 108 HB1 HIS 108 -26.248 4.704 -3.332 832 HD2 HIS 108 HD2 HIS 108 -28.899 4.963 -3.904 833 HE1 HIS 108 HE1 HIS 108 -29.490 8.785 -2.170 834 HE2 HIS 108 HE2 HIS 108 -30.461 7.005 -3.654 835 H GLU 109 HN GLU 109 -26.163 2.557 -1.753 836 HA GLU 109 HA GLU 109 -28.881 2.168 -1.133 837 HB2 GLU 109 HB2 GLU 109 -27.646 0.672 -2.608 838 HB3 GLU 109 HB1 GLU 109 -26.639 0.151 -1.265 839 HG2 GLU 109 HG2 GLU 109 -28.602 -0.784 -0.155 840 HG3 GLU 109 HG1 GLU 109 -29.606 -0.264 -1.504 841 H LEU 110 HN LEU 110 -25.937 1.635 0.739 842 HA LEU 110 HA LEU 110 -27.081 0.373 2.967 843 HB2 LEU 110 HB2 LEU 110 -24.675 0.468 2.561 844 HB3 LEU 110 HB1 LEU 110 -24.692 2.206 2.794 845 HG LEU 110 HG LEU 110 -25.515 1.750 5.145 846 HD11 LEU 110 HD11 LEU 110 -26.244 -0.533 4.847 847 HD12 LEU 110 HD12 LEU 110 -24.992 -0.442 6.081 848 HD13 LEU 110 HD13 LEU 110 -24.596 -1.036 4.470 849 HD21 LEU 110 HD21 LEU 110 -23.276 2.493 4.722 850 HD22 LEU 110 HD22 LEU 110 -22.772 0.858 4.300 851 HD23 LEU 110 HD23 LEU 110 -23.239 1.236 5.957 852 H ILE 111 HN ILE 111 -26.446 3.766 2.245 853 HA ILE 111 HA ILE 111 -27.313 4.817 4.697 854 HB ILE 111 HB ILE 111 -27.353 6.159 1.988 855 HG12 ILE 111 HG12 ILE 111 -25.139 5.281 2.497 856 HG13 ILE 111 HG11 ILE 111 -25.139 7.035 2.609 857 HG21 ILE 111 HG21 ILE 111 -27.166 8.253 3.271 858 HG22 ILE 111 HG22 ILE 111 -27.331 7.333 4.768 859 HG23 ILE 111 HG23 ILE 111 -28.664 7.388 3.615 860 HD11 ILE 111 HD11 ILE 111 -25.207 5.086 4.900 861 HD12 ILE 111 HD12 ILE 111 -25.306 6.840 5.060 862 HD13 ILE 111 HD13 ILE 111 -23.850 6.094 4.405 863 H SER 112 HN SER 112 -29.010 4.203 1.667 864 HA SER 112 HA SER 112 -31.415 5.453 2.372 865 HB2 SER 112 HB2 SER 112 -31.024 3.096 0.512 866 HB3 SER 112 HB1 SER 112 -32.410 4.188 0.530 867 HG SER 112 HG SER 112 -29.713 4.916 -0.028 868 H GLU 113 HN GLU 113 -30.424 2.028 2.736 869 HA GLU 113 HA GLU 113 -32.905 1.200 3.806 870 HB2 GLU 113 HB2 GLU 113 -30.155 -0.021 4.109 871 HB3 GLU 113 HB1 GLU 113 -31.651 -0.805 4.596 872 HG2 GLU 113 HG2 GLU 113 -32.431 -0.716 2.260 873 HG3 GLU 113 HG1 GLU 113 -30.894 0.005 1.796 874 H LEU 114 HN LEU 114 -29.854 2.116 5.401 875 HA LEU 114 HA LEU 114 -30.769 1.775 8.010 876 HB2 LEU 114 HB2 LEU 114 -28.502 3.238 6.753 877 HB3 LEU 114 HB1 LEU 114 -28.844 3.489 8.454 878 HG LEU 114 HG LEU 114 -28.586 1.079 8.846 879 HD11 LEU 114 HD11 LEU 114 -29.207 0.221 6.675 880 HD12 LEU 114 HD12 LEU 114 -27.621 -0.377 7.164 881 HD13 LEU 114 HD13 LEU 114 -27.745 0.918 5.971 882 HD21 LEU 114 HD21 LEU 114 -26.691 2.596 9.138 883 HD22 LEU 114 HD22 LEU 114 -26.225 2.324 7.459 884 HD23 LEU 114 HD23 LEU 114 -26.168 0.996 8.616 885 H SER 115 HN SER 115 -30.828 4.680 5.919 886 HA SER 115 HA SER 115 -31.696 6.435 7.951 887 HB2 SER 115 HB2 SER 115 -32.109 6.611 4.959 888 HB3 SER 115 HB1 SER 115 -32.389 7.928 6.103 889 HG SER 115 HG SER 115 -29.984 6.746 5.277 890 H ARG 116 HN ARG 116 -33.482 4.448 5.649 891 HA ARG 116 HA ARG 116 -36.050 5.373 6.458 892 HB2 ARG 116 HB2 ARG 116 -35.165 2.914 4.952 893 HB3 ARG 116 HB1 ARG 116 -36.853 3.312 5.249 894 HG2 ARG 116 HG2 ARG 116 -36.608 5.382 4.006 895 HG3 ARG 116 HG1 ARG 116 -34.895 5.040 3.749 896 HD2 ARG 116 HD2 ARG 116 -35.487 3.019 2.507 897 HD3 ARG 116 HD1 ARG 116 -37.199 3.357 2.771 898 HE ARG 116 HE ARG 116 -35.877 5.549 1.529 899 HH11 ARG 116 HH11 ARG 116 -37.191 2.365 0.870 900 HH12 ARG 116 HH12 ARG 116 -37.584 2.723 -0.775 901 HH21 ARG 116 HH21 ARG 116 -36.399 6.028 -0.671 902 HH22 ARG 116 HH22 ARG 116 -37.140 4.814 -1.652 903 H GLU 117 HN GLU 117 -33.822 3.095 7.709 904 HA GLU 117 HA GLU 117 -33.788 1.712 9.486 905 HB2 GLU 117 HB2 GLU 117 -35.006 3.876 10.451 906 HB3 GLU 117 HB1 GLU 117 -36.367 2.773 10.563 907 HG2 GLU 117 HG2 GLU 117 -33.673 2.230 11.800 908 HG3 GLU 117 HG1 GLU 117 -34.994 3.019 12.650 909 H GLY 118 HN GLY 118 -34.308 0.212 7.696 910 HA2 GLY 118 HA2 GLY 118 -36.984 -0.863 7.646 911 HA3 GLY 118 HA1 GLY 118 -35.595 -1.467 6.754 912 H HIS 119 HN HIS 119 -36.938 -1.259 10.010 913 HA HIS 119 HA HIS 119 -35.264 -3.226 11.152 914 HB2 HIS 119 HB2 HIS 119 -36.683 -1.490 12.372 915 HB3 HIS 119 HB1 HIS 119 -38.062 -2.538 12.072 916 HD2 HIS 119 HD2 HIS 119 -35.013 -2.263 14.425 917 HE1 HIS 119 HE1 HIS 119 -37.154 -5.756 15.517 918 HE2 HIS 119 HE2 HIS 119 -35.419 -4.076 16.223 919 H HIS 120 HN HIS 120 -38.509 -3.352 9.743 920 HA HIS 120 HA HIS 120 -38.777 -6.187 10.074 921 HB2 HIS 120 HB2 HIS 120 -40.750 -4.676 9.862 922 HB3 HIS 120 HB1 HIS 120 -40.297 -4.359 8.193 923 HD2 HIS 120 HD2 HIS 120 -40.912 -7.793 10.114 924 HE1 HIS 120 HE1 HIS 120 -42.985 -7.826 6.415 925 HE2 HIS 120 HE2 HIS 120 -42.282 -9.180 8.413 926 H HIS 121 HN HIS 121 -37.520 -4.058 7.641 927 HA HIS 121 HA HIS 121 -37.343 -5.816 5.459 928 HB2 HIS 121 HB2 HIS 121 -36.990 -3.408 5.234 929 HB3 HIS 121 HB1 HIS 121 -35.565 -3.499 6.260 930 HD2 HIS 121 HD2 HIS 121 -33.234 -4.084 4.962 931 HE1 HIS 121 HE1 HIS 121 -34.903 -4.675 1.111 932 HE2 HIS 121 HE2 HIS 121 -32.834 -4.069 2.430 933 H HIS 122 HN HIS 122 -34.901 -4.994 7.938 934 HA HIS 122 HA HIS 122 -34.109 -7.588 8.466 935 HB2 HIS 122 HB2 HIS 122 -33.231 -7.663 6.152 936 HB3 HIS 122 HB1 HIS 122 -32.204 -6.275 6.502 937 HD2 HIS 122 HD2 HIS 122 -32.595 -9.777 8.340 938 HE1 HIS 122 HE1 HIS 122 -28.487 -8.828 7.934 939 HE2 HIS 122 HE2 HIS 122 -30.191 -10.284 9.090 940 H HIS 123 HN HIS 123 -33.649 -7.201 10.500 941 HA HIS 123 HA HIS 123 -31.738 -5.051 11.114 942 HB2 HIS 123 HB2 HIS 123 -33.875 -4.661 12.210 943 HB3 HIS 123 HB1 HIS 123 -33.872 -6.294 12.867 944 HD2 HIS 123 HD2 HIS 123 -31.562 -3.094 13.295 945 HE1 HIS 123 HE1 HIS 123 -31.743 -5.245 16.939 946 HE2 HIS 123 HE2 HIS 123 -31.080 -3.095 15.837 947 H HIS 124 HN HIS 124 -32.613 -8.405 11.677 948 HA HIS 124 HA HIS 124 -29.853 -9.007 12.334 949 HB2 HIS 124 HB2 HIS 124 -30.996 -8.581 14.526 950 HB3 HIS 124 HB1 HIS 124 -32.125 -9.876 14.148 951 HD2 HIS 124 HD2 HIS 124 -28.391 -9.424 15.217 952 HE1 HIS 124 HE1 HIS 124 -29.399 -13.528 15.547 953 HE2 HIS 124 HE2 HIS 124 -27.718 -11.748 16.120 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -22.243 22.338 -12.374 2 H2 MET 1 HT2 MET 1 -21.739 21.108 -13.416 3 H3 MET 1 HT3 MET 1 -20.677 21.719 -12.253 4 HA MET 1 HA MET 1 -23.182 20.257 -11.692 5 HB2 MET 1 HB2 MET 1 -20.302 19.409 -11.255 6 HB3 MET 1 HB1 MET 1 -21.735 18.458 -10.895 7 HG2 MET 1 HG2 MET 1 -20.740 19.267 -13.616 8 HG3 MET 1 HG1 MET 1 -20.718 17.652 -12.915 9 HE1 MET 1 HE1 MET 1 -22.840 16.134 -12.603 10 HE2 MET 1 HE2 MET 1 -24.493 16.682 -12.882 11 HE3 MET 1 HE3 MET 1 -23.551 17.362 -11.555 12 H SER 2 HN SER 2 -22.483 19.301 -9.241 13 HA SER 2 HA SER 2 -22.879 21.537 -7.585 14 HB2 SER 2 HB2 SER 2 -21.950 18.756 -6.849 15 HB3 SER 2 HB1 SER 2 -22.584 19.955 -5.722 16 HG SER 2 HG SER 2 -23.900 18.378 -7.596 17 H LEU 3 HN LEU 3 -21.497 22.265 -5.812 18 HA LEU 3 HA LEU 3 -18.966 23.059 -6.764 19 HB2 LEU 3 HB2 LEU 3 -20.096 23.168 -3.969 20 HB3 LEU 3 HB1 LEU 3 -18.660 24.014 -4.508 21 HG LEU 3 HG LEU 3 -21.463 24.506 -5.529 22 HD11 LEU 3 HD11 LEU 3 -19.723 26.130 -3.682 23 HD12 LEU 3 HD12 LEU 3 -21.203 25.273 -3.247 24 HD13 LEU 3 HD13 LEU 3 -21.273 26.644 -4.351 25 HD21 LEU 3 HD21 LEU 3 -19.794 24.941 -7.242 26 HD22 LEU 3 HD22 LEU 3 -18.866 25.924 -6.110 27 HD23 LEU 3 HD23 LEU 3 -20.461 26.459 -6.636 28 H GLY 4 HN GLY 4 -17.002 22.216 -6.522 29 HA2 GLY 4 HA2 GLY 4 -15.305 20.927 -5.573 30 HA3 GLY 4 HA1 GLY 4 -16.492 20.183 -4.507 31 H SER 5 HN SER 5 -17.445 18.311 -5.089 32 HA SER 5 HA SER 5 -16.918 17.281 -7.784 33 HB2 SER 5 HB2 SER 5 -16.659 15.655 -5.249 34 HB3 SER 5 HB1 SER 5 -16.335 15.108 -6.894 35 HG SER 5 HG SER 5 -14.751 16.524 -5.180 36 H GLU 6 HN GLU 6 -18.490 15.822 -8.544 37 HA GLU 6 HA GLU 6 -21.058 16.147 -7.255 38 HB2 GLU 6 HB2 GLU 6 -20.621 16.370 -9.782 39 HB3 GLU 6 HB1 GLU 6 -20.531 14.612 -9.794 40 HG2 GLU 6 HG2 GLU 6 -22.738 15.350 -10.439 41 HG3 GLU 6 HG1 GLU 6 -22.804 14.502 -8.893 42 H SER 7 HN SER 7 -20.174 14.904 -5.448 43 HA SER 7 HA SER 7 -20.326 13.100 -4.082 44 HB2 SER 7 HB2 SER 7 -22.468 12.565 -5.250 45 HB3 SER 7 HB1 SER 7 -21.563 11.625 -6.436 46 HG SER 7 HG SER 7 -22.432 10.909 -3.991 47 H GLU 8 HN GLU 8 -18.075 13.036 -3.965 48 HA GLU 8 HA GLU 8 -16.477 11.725 -5.862 49 HB2 GLU 8 HB2 GLU 8 -15.618 13.519 -4.480 50 HB3 GLU 8 HB1 GLU 8 -15.923 12.566 -3.033 51 HG2 GLU 8 HG2 GLU 8 -14.328 10.914 -3.797 52 HG3 GLU 8 HG1 GLU 8 -13.998 11.902 -5.221 53 H THR 9 HN THR 9 -17.406 10.911 -2.626 54 HA THR 9 HA THR 9 -17.487 8.968 -1.436 55 HB THR 9 HB THR 9 -17.724 7.625 -4.150 56 HG1 THR 9 HG1 THR 9 -19.380 9.105 -3.960 57 HG21 THR 9 HG21 THR 9 -18.896 5.858 -2.897 58 HG22 THR 9 HG22 THR 9 -18.592 6.728 -1.393 59 HG23 THR 9 HG23 THR 9 -17.243 6.064 -2.313 60 H GLY 10 HN GLY 10 -15.317 9.224 -0.709 61 HA2 GLY 10 HA2 GLY 10 -13.419 7.399 -2.040 62 HA3 GLY 10 HA1 GLY 10 -12.920 8.966 -1.434 63 H ASN 11 HN ASN 11 -12.739 9.284 0.825 64 HA ASN 11 HA ASN 11 -12.028 6.805 2.191 65 HB2 ASN 11 HB2 ASN 11 -10.850 8.199 3.792 66 HB3 ASN 11 HB1 ASN 11 -10.415 8.675 2.156 67 HD21 ASN 11 HD21 ASN 11 -11.026 10.668 1.399 68 HD22 ASN 11 HD22 ASN 11 -11.662 11.911 2.416 69 H ALA 12 HN ALA 12 -14.784 8.441 1.945 70 HA ALA 12 HA ALA 12 -15.541 8.593 4.708 71 HB1 ALA 12 HB1 ALA 12 -17.750 9.170 3.878 72 HB2 ALA 12 HB2 ALA 12 -17.273 8.722 2.240 73 HB3 ALA 12 HB3 ALA 12 -16.514 10.102 3.034 74 H VAL 13 HN VAL 13 -16.421 7.055 5.923 75 HA VAL 13 HA VAL 13 -17.429 4.633 4.593 76 HB VAL 13 HB VAL 13 -16.611 3.290 6.502 77 HG11 VAL 13 HG11 VAL 13 -14.232 3.318 5.927 78 HG12 VAL 13 HG12 VAL 13 -14.461 4.858 5.097 79 HG13 VAL 13 HG13 VAL 13 -15.264 3.406 4.498 80 HG21 VAL 13 HG21 VAL 13 -15.216 5.828 7.353 81 HG22 VAL 13 HG22 VAL 13 -14.979 4.232 8.067 82 HG23 VAL 13 HG23 VAL 13 -16.542 5.035 8.204 83 H VAL 14 HN VAL 14 -18.965 3.420 5.867 84 HA VAL 14 HA VAL 14 -20.528 5.172 7.639 85 HB VAL 14 HB VAL 14 -21.503 2.817 5.992 86 HG11 VAL 14 HG11 VAL 14 -23.742 3.544 6.642 87 HG12 VAL 14 HG12 VAL 14 -23.045 4.830 7.623 88 HG13 VAL 14 HG13 VAL 14 -22.767 3.146 8.057 89 HG21 VAL 14 HG21 VAL 14 -22.647 4.456 4.596 90 HG22 VAL 14 HG22 VAL 14 -20.903 4.726 4.576 91 HG23 VAL 14 HG23 VAL 14 -21.944 5.769 5.542 92 H VAL 15 HN VAL 15 -20.360 4.585 9.705 93 HA VAL 15 HA VAL 15 -19.927 1.734 10.268 94 HB VAL 15 HB VAL 15 -19.206 4.080 12.045 95 HG11 VAL 15 HG11 VAL 15 -18.407 1.187 12.306 96 HG12 VAL 15 HG12 VAL 15 -19.774 1.898 13.150 97 HG13 VAL 15 HG13 VAL 15 -18.139 2.487 13.471 98 HG21 VAL 15 HG21 VAL 15 -17.784 4.032 10.065 99 HG22 VAL 15 HG22 VAL 15 -17.422 2.330 10.349 100 HG23 VAL 15 HG23 VAL 15 -16.870 3.551 11.497 101 H PHE 16 HN PHE 16 -21.473 0.724 11.314 102 HA PHE 16 HA PHE 16 -23.388 2.231 12.913 103 HB2 PHE 16 HB2 PHE 16 -25.320 1.196 11.755 104 HB3 PHE 16 HB1 PHE 16 -24.360 2.176 10.666 105 HD1 PHE 16 HD1 PHE 16 -25.344 -1.248 11.536 106 HD2 PHE 16 HD2 PHE 16 -23.129 1.202 8.846 107 HE1 PHE 16 HE1 PHE 16 -25.154 -3.137 9.975 108 HE2 PHE 16 HE2 PHE 16 -22.936 -0.689 7.283 109 HZ PHE 16 HZ PHE 16 -23.950 -2.860 7.846 110 H GLY 17 HN GLY 17 -24.925 0.666 14.037 111 HA2 GLY 17 HA2 GLY 17 -25.171 -1.714 14.692 112 HA3 GLY 17 HA1 GLY 17 -23.417 -1.774 14.749 113 H TYR 18 HN TYR 18 -23.839 1.136 15.873 114 HA TYR 18 HA TYR 18 -24.257 0.225 18.622 115 HB2 TYR 18 HB2 TYR 18 -22.775 2.140 19.319 116 HB3 TYR 18 HB1 TYR 18 -21.969 0.852 18.444 117 HD1 TYR 18 HD1 TYR 18 -23.097 4.370 18.273 118 HD2 TYR 18 HD2 TYR 18 -20.993 1.250 16.276 119 HE1 TYR 18 HE1 TYR 18 -22.133 6.010 16.720 120 HE2 TYR 18 HE2 TYR 18 -20.033 2.891 14.729 121 HH TYR 18 HH TYR 18 -20.565 5.135 13.861 122 H ARG 19 HN ARG 19 -24.477 2.612 19.940 123 HA ARG 19 HA ARG 19 -26.775 3.915 18.680 124 HB2 ARG 19 HB2 ARG 19 -28.095 3.719 20.708 125 HB3 ARG 19 HB1 ARG 19 -27.652 2.132 20.108 126 HG2 ARG 19 HG2 ARG 19 -25.871 1.998 21.801 127 HG3 ARG 19 HG1 ARG 19 -26.354 3.578 22.413 128 HD2 ARG 19 HD2 ARG 19 -28.571 2.710 22.940 129 HD3 ARG 19 HD1 ARG 19 -28.112 1.137 22.300 130 HE ARG 19 HE ARG 19 -26.540 2.211 24.516 131 HH11 ARG 19 HH11 ARG 19 -28.957 -0.061 23.366 132 HH12 ARG 19 HH12 ARG 19 -28.928 -1.015 24.810 133 HH21 ARG 19 HH21 ARG 19 -26.484 0.923 26.424 134 HH22 ARG 19 HH22 ARG 19 -27.516 -0.461 26.540 135 H GLU 20 HN GLU 20 -27.522 5.783 20.175 136 HA GLU 20 HA GLU 20 -25.386 7.627 20.364 137 HB2 GLU 20 HB2 GLU 20 -27.666 8.281 19.794 138 HB3 GLU 20 HB1 GLU 20 -28.230 7.760 21.372 139 HG2 GLU 20 HG2 GLU 20 -26.843 9.505 22.414 140 HG3 GLU 20 HG1 GLU 20 -26.364 10.053 20.806 141 H ALA 21 HN ALA 21 -27.158 5.729 22.729 142 HA ALA 21 HA ALA 21 -26.362 7.078 25.055 143 HB1 ALA 21 HB1 ALA 21 -27.191 4.198 24.808 144 HB2 ALA 21 HB2 ALA 21 -28.289 5.572 24.923 145 HB3 ALA 21 HB3 ALA 21 -27.221 5.184 26.270 146 H ILE 22 HN ILE 22 -24.453 5.067 23.090 147 HA ILE 22 HA ILE 22 -22.740 4.291 25.338 148 HB ILE 22 HB ILE 22 -21.517 2.876 23.703 149 HG12 ILE 22 HG12 ILE 22 -23.114 2.500 21.544 150 HG13 ILE 22 HG11 ILE 22 -23.348 4.225 21.788 151 HG21 ILE 22 HG21 ILE 22 -24.488 2.412 23.847 152 HG22 ILE 22 HG22 ILE 22 -23.283 1.912 25.034 153 HG23 ILE 22 HG23 ILE 22 -23.286 1.194 23.422 154 HD11 ILE 22 HD11 ILE 22 -21.580 3.781 20.194 155 HD12 ILE 22 HD12 ILE 22 -20.707 2.847 21.409 156 HD13 ILE 22 HD13 ILE 22 -20.946 4.578 21.633 157 H THR 23 HN THR 23 -22.932 7.044 24.397 158 HA THR 23 HA THR 23 -21.062 7.989 22.662 159 HB THR 23 HB THR 23 -21.662 9.277 25.327 160 HG1 THR 23 HG1 THR 23 -23.331 8.710 23.316 161 HG21 THR 23 HG21 THR 23 -21.197 11.371 24.155 162 HG22 THR 23 HG22 THR 23 -20.801 10.468 22.692 163 HG23 THR 23 HG23 THR 23 -19.793 10.304 24.131 164 H LYS 24 HN LYS 24 -20.344 8.019 26.164 165 HA LYS 24 HA LYS 24 -17.623 8.535 25.821 166 HB2 LYS 24 HB2 LYS 24 -19.432 8.110 27.994 167 HB3 LYS 24 HB1 LYS 24 -17.930 7.257 28.302 168 HG2 LYS 24 HG2 LYS 24 -18.027 9.550 29.216 169 HG3 LYS 24 HG1 LYS 24 -16.665 9.267 28.140 170 HD2 LYS 24 HD2 LYS 24 -17.814 10.465 26.344 171 HD3 LYS 24 HD1 LYS 24 -19.244 10.647 27.358 172 HE2 LYS 24 HE2 LYS 24 -17.879 12.680 27.301 173 HE3 LYS 24 HE1 LYS 24 -18.004 12.017 28.928 174 HZ1 LYS 24 HZ1 LYS 24 -15.671 11.769 27.089 175 HZ2 LYS 24 HZ2 LYS 24 -15.783 11.024 28.604 176 HZ3 LYS 24 HZ3 LYS 24 -15.755 12.700 28.493 177 H GLN 25 HN GLN 25 -19.288 5.483 25.837 178 HA GLN 25 HA GLN 25 -17.154 3.812 26.572 179 HB2 GLN 25 HB2 GLN 25 -19.540 3.272 24.809 180 HB3 GLN 25 HB1 GLN 25 -18.426 2.036 25.368 181 HG2 GLN 25 HG2 GLN 25 -19.026 2.523 27.679 182 HG3 GLN 25 HG1 GLN 25 -20.123 3.789 27.129 183 HE21 GLN 25 HE21 GLN 25 -21.850 2.710 28.149 184 HE22 GLN 25 HE22 GLN 25 -22.567 1.302 27.448 185 H ILE 26 HN ILE 26 -18.428 4.073 23.241 186 HA ILE 26 HA ILE 26 -16.032 3.022 22.123 187 HB ILE 26 HB ILE 26 -18.524 4.189 20.892 188 HG12 ILE 26 HG12 ILE 26 -17.216 1.464 20.780 189 HG13 ILE 26 HG11 ILE 26 -18.620 1.905 21.744 190 HG21 ILE 26 HG21 ILE 26 -16.175 3.239 19.273 191 HG22 ILE 26 HG22 ILE 26 -16.622 4.928 19.498 192 HG23 ILE 26 HG23 ILE 26 -17.723 3.831 18.664 193 HD11 ILE 26 HD11 ILE 26 -19.870 2.334 19.657 194 HD12 ILE 26 HD12 ILE 26 -19.308 0.669 19.795 195 HD13 ILE 26 HD13 ILE 26 -18.462 1.800 18.738 196 H LEU 27 HN LEU 27 -17.022 6.177 22.962 197 HA LEU 27 HA LEU 27 -15.608 7.803 21.172 198 HB2 LEU 27 HB2 LEU 27 -17.311 8.488 22.899 199 HB3 LEU 27 HB1 LEU 27 -16.082 8.273 24.120 200 HG LEU 27 HG LEU 27 -14.761 10.065 22.927 201 HD11 LEU 27 HD11 LEU 27 -16.048 11.568 21.475 202 HD12 LEU 27 HD12 LEU 27 -17.394 10.428 21.513 203 HD13 LEU 27 HD13 LEU 27 -15.861 9.961 20.777 204 HD21 LEU 27 HD21 LEU 27 -17.455 10.782 24.113 205 HD22 LEU 27 HD22 LEU 27 -16.107 11.893 23.931 206 HD23 LEU 27 HD23 LEU 27 -15.965 10.512 25.010 207 H ALA 28 HN ALA 28 -14.625 6.412 24.284 208 HA ALA 28 HA ALA 28 -12.057 7.589 24.314 209 HB1 ALA 28 HB1 ALA 28 -13.036 5.170 25.815 210 HB2 ALA 28 HB2 ALA 28 -13.198 6.847 26.339 211 HB3 ALA 28 HB3 ALA 28 -11.598 6.120 26.188 212 H TYR 29 HN TYR 29 -13.255 4.612 22.913 213 HA TYR 29 HA TYR 29 -10.582 3.520 22.620 214 HB2 TYR 29 HB2 TYR 29 -12.390 1.977 23.140 215 HB3 TYR 29 HB1 TYR 29 -13.248 2.451 21.678 216 HD1 TYR 29 HD1 TYR 29 -10.238 0.705 22.946 217 HD2 TYR 29 HD2 TYR 29 -12.717 1.491 19.589 218 HE1 TYR 29 HE1 TYR 29 -9.073 -1.057 21.675 219 HE2 TYR 29 HE2 TYR 29 -11.577 -0.248 18.313 220 HH TYR 29 HH TYR 29 -9.489 -2.517 19.764 221 H PHE 30 HN PHE 30 -13.125 4.683 20.407 222 HA PHE 30 HA PHE 30 -11.314 4.358 18.175 223 HB2 PHE 30 HB2 PHE 30 -14.231 4.897 18.367 224 HB3 PHE 30 HB1 PHE 30 -13.380 5.405 16.909 225 HD1 PHE 30 HD2 PHE 30 -12.415 3.811 15.397 226 HD2 PHE 30 HD1 PHE 30 -14.461 2.522 18.893 227 HE1 PHE 30 HE2 PHE 30 -12.493 1.526 14.498 228 HE2 PHE 30 HE1 PHE 30 -14.547 0.229 17.997 229 HZ PHE 30 HZ PHE 30 -13.555 -0.272 15.795 230 H ALA 31 HN ALA 31 -11.741 6.677 20.386 231 HA ALA 31 HA ALA 31 -11.749 9.173 19.447 232 HB1 ALA 31 HB1 ALA 31 -10.152 9.767 21.149 233 HB2 ALA 31 HB2 ALA 31 -9.622 8.088 21.260 234 HB3 ALA 31 HB3 ALA 31 -11.264 8.530 21.737 235 H GLN 32 HN GLN 32 -9.173 6.893 18.704 236 HA GLN 32 HA GLN 32 -7.175 8.631 17.830 237 HB2 GLN 32 HB2 GLN 32 -6.797 6.238 18.117 238 HB3 GLN 32 HB1 GLN 32 -7.901 5.882 16.796 239 HG2 GLN 32 HG2 GLN 32 -5.609 5.650 16.075 240 HG3 GLN 32 HG1 GLN 32 -6.385 6.989 15.232 241 HE21 GLN 32 HE21 GLN 32 -4.478 8.010 14.754 242 HE22 GLN 32 HE22 GLN 32 -3.491 8.780 15.940 243 H PHE 33 HN PHE 33 -10.124 7.621 16.300 244 HA PHE 33 HA PHE 33 -9.389 8.828 13.764 245 HB2 PHE 33 HB2 PHE 33 -11.932 7.475 14.672 246 HB3 PHE 33 HB1 PHE 33 -11.611 8.051 13.039 247 HD1 PHE 33 HD2 PHE 33 -9.876 6.968 11.663 248 HD2 PHE 33 HD1 PHE 33 -10.997 5.442 15.471 249 HE1 PHE 33 HE2 PHE 33 -8.789 4.832 11.122 250 HE2 PHE 33 HE1 PHE 33 -9.912 3.303 14.937 251 HZ PHE 33 HZ PHE 33 -8.807 2.998 12.761 252 H GLY 34 HN GLY 34 -11.718 9.293 16.389 253 HA2 GLY 34 HA2 GLY 34 -11.884 11.583 17.239 254 HA3 GLY 34 HA1 GLY 34 -11.861 12.120 15.571 255 H GLU 35 HN GLU 35 -13.726 12.084 14.376 256 HA GLU 35 HA GLU 35 -16.108 12.501 15.774 257 HB2 GLU 35 HB2 GLU 35 -17.177 12.505 13.485 258 HB3 GLU 35 HB1 GLU 35 -15.823 13.605 13.682 259 HG2 GLU 35 HG2 GLU 35 -14.373 11.866 12.577 260 HG3 GLU 35 HG1 GLU 35 -15.848 10.967 12.221 261 H ILE 36 HN ILE 36 -17.336 11.082 16.787 262 HA ILE 36 HA ILE 36 -17.885 8.480 15.505 263 HB ILE 36 HB ILE 36 -17.464 8.796 18.493 264 HG12 ILE 36 HG12 ILE 36 -15.306 9.044 17.303 265 HG13 ILE 36 HG11 ILE 36 -15.368 7.559 18.242 266 HG21 ILE 36 HG21 ILE 36 -17.573 6.378 18.558 267 HG22 ILE 36 HG22 ILE 36 -17.776 6.319 16.809 268 HG23 ILE 36 HG23 ILE 36 -19.029 7.039 17.815 269 HD11 ILE 36 HD11 ILE 36 -15.767 7.787 15.267 270 HD12 ILE 36 HD12 ILE 36 -15.803 6.293 16.209 271 HD13 ILE 36 HD13 ILE 36 -14.308 7.227 16.089 272 H LEU 37 HN LEU 37 -18.815 10.332 18.393 273 HA LEU 37 HA LEU 37 -21.639 10.078 17.635 274 HB2 LEU 37 HB2 LEU 37 -20.399 9.447 20.288 275 HB3 LEU 37 HB1 LEU 37 -22.110 9.775 20.107 276 HG LEU 37 HG LEU 37 -20.713 7.581 18.592 277 HD11 LEU 37 HD11 LEU 37 -20.480 7.191 20.964 278 HD12 LEU 37 HD12 LEU 37 -21.635 6.068 20.243 279 HD13 LEU 37 HD13 LEU 37 -22.211 7.450 21.179 280 HD21 LEU 37 HD21 LEU 37 -23.055 6.709 18.501 281 HD22 LEU 37 HD22 LEU 37 -22.780 8.186 17.578 282 HD23 LEU 37 HD23 LEU 37 -23.591 8.259 19.145 283 H GLU 38 HN GLU 38 -22.766 11.391 19.791 284 HA GLU 38 HA GLU 38 -22.515 14.092 19.112 285 HB2 GLU 38 HB2 GLU 38 -24.512 13.115 20.159 286 HB3 GLU 38 HB1 GLU 38 -23.615 12.881 21.652 287 HG2 GLU 38 HG2 GLU 38 -23.304 15.338 21.789 288 HG3 GLU 38 HG1 GLU 38 -24.336 15.511 20.373 289 H ASP 39 HN ASP 39 -21.168 12.280 21.823 290 HA ASP 39 HA ASP 39 -19.410 12.633 23.200 291 HB2 ASP 39 HB2 ASP 39 -18.116 13.339 21.258 292 HB3 ASP 39 HB1 ASP 39 -18.815 14.944 21.361 293 H LEU 40 HN LEU 40 -18.453 14.361 24.699 294 HA LEU 40 HA LEU 40 -20.671 15.996 25.696 295 HB2 LEU 40 HB2 LEU 40 -20.290 14.137 27.159 296 HB3 LEU 40 HB1 LEU 40 -18.567 14.436 27.167 297 HG LEU 40 HG LEU 40 -18.866 16.430 28.420 298 HD11 LEU 40 HD11 LEU 40 -21.819 15.773 28.334 299 HD12 LEU 40 HD12 LEU 40 -21.041 17.159 27.572 300 HD13 LEU 40 HD13 LEU 40 -21.102 17.040 29.329 301 HD21 LEU 40 HD21 LEU 40 -20.376 14.124 29.631 302 HD22 LEU 40 HD22 LEU 40 -19.636 15.452 30.525 303 HD23 LEU 40 HD23 LEU 40 -18.628 14.326 29.619 304 H GLU 41 HN GLU 41 -17.243 15.866 26.633 305 HA GLU 41 HA GLU 41 -16.697 18.437 25.405 306 HB2 GLU 41 HB2 GLU 41 -16.585 18.066 28.397 307 HB3 GLU 41 HB1 GLU 41 -15.740 19.353 27.560 308 HG2 GLU 41 HG2 GLU 41 -17.919 20.177 26.728 309 HG3 GLU 41 HG1 GLU 41 -18.714 18.933 27.696 310 H SER 42 HN SER 42 -15.554 15.762 27.402 311 HA SER 42 HA SER 42 -12.911 16.170 26.269 312 HB2 SER 42 HB2 SER 42 -13.029 16.670 28.713 313 HB3 SER 42 HB1 SER 42 -13.565 15.013 28.986 314 HG SER 42 HG SER 42 -11.158 15.611 27.620 315 H GLU 43 HN GLU 43 -11.753 14.311 25.930 316 HA GLU 43 HA GLU 43 -13.311 11.841 25.671 317 HB2 GLU 43 HB2 GLU 43 -13.285 12.958 23.529 318 HB3 GLU 43 HB1 GLU 43 -11.545 13.145 23.611 319 HG2 GLU 43 HG2 GLU 43 -11.266 10.750 23.455 320 HG3 GLU 43 HG1 GLU 43 -13.016 10.537 23.421 321 H LEU 44 HN LEU 44 -10.047 13.174 25.235 322 HA LEU 44 HA LEU 44 -8.943 10.700 26.343 323 HB2 LEU 44 HB2 LEU 44 -7.639 12.876 24.729 324 HB3 LEU 44 HB1 LEU 44 -6.865 11.407 25.276 325 HG LEU 44 HG LEU 44 -9.153 11.551 23.320 326 HD11 LEU 44 HD11 LEU 44 -6.234 10.955 22.899 327 HD12 LEU 44 HD12 LEU 44 -7.092 12.406 22.378 328 HD13 LEU 44 HD13 LEU 44 -7.499 10.839 21.676 329 HD21 LEU 44 HD21 LEU 44 -9.229 9.501 24.618 330 HD22 LEU 44 HD22 LEU 44 -7.524 9.197 24.278 331 HD23 LEU 44 HD23 LEU 44 -8.706 9.165 22.970 332 H GLY 45 HN GLY 45 -9.344 14.069 26.900 333 HA2 GLY 45 HA2 GLY 45 -9.029 15.060 29.027 334 HA3 GLY 45 HA1 GLY 45 -7.829 13.826 29.403 335 H ASP 46 HN ASP 46 -6.463 14.064 26.888 336 HA ASP 46 HA ASP 46 -5.425 16.791 26.837 337 HB2 ASP 46 HB2 ASP 46 -3.717 14.337 27.327 338 HB3 ASP 46 HB1 ASP 46 -3.069 15.895 26.838 339 H THR 47 HN THR 47 -4.114 17.187 24.926 340 HA THR 47 HA THR 47 -3.949 17.272 22.683 341 HB THR 47 HB THR 47 -2.228 15.523 23.208 342 HG1 THR 47 HG1 THR 47 -3.560 15.286 20.705 343 HG21 THR 47 HG21 THR 47 -2.651 13.188 22.568 344 HG22 THR 47 HG22 THR 47 -4.344 13.571 22.261 345 HG23 THR 47 HG23 THR 47 -3.700 13.674 23.900 346 H GLU 48 HN GLU 48 -6.627 16.735 23.745 347 HA GLU 48 HA GLU 48 -7.883 15.120 21.686 348 HB2 GLU 48 HB2 GLU 48 -9.981 15.598 22.999 349 HB3 GLU 48 HB1 GLU 48 -8.734 14.713 23.862 350 HG2 GLU 48 HG2 GLU 48 -8.048 16.792 24.964 351 HG3 GLU 48 HG1 GLU 48 -9.339 17.649 24.125 352 H THR 49 HN THR 49 -6.689 17.992 21.463 353 HA THR 49 HA THR 49 -8.858 19.579 20.573 354 HB THR 49 HB THR 49 -7.004 20.883 19.381 355 HG1 THR 49 HG1 THR 49 -5.118 19.938 19.307 356 HG21 THR 49 HG21 THR 49 -6.761 20.394 22.356 357 HG22 THR 49 HG22 THR 49 -7.872 21.522 21.582 358 HG23 THR 49 HG23 THR 49 -6.133 21.796 21.490 359 H MET 50 HN MET 50 -6.796 17.197 19.061 360 HA MET 50 HA MET 50 -8.012 17.720 16.453 361 HB2 MET 50 HB2 MET 50 -5.566 17.522 16.511 362 HB3 MET 50 HB1 MET 50 -5.705 15.914 17.208 363 HG2 MET 50 HG2 MET 50 -6.787 15.119 15.173 364 HG3 MET 50 HG1 MET 50 -6.671 16.733 14.475 365 HE1 MET 50 HE1 MET 50 -5.595 14.152 12.980 366 HE2 MET 50 HE2 MET 50 -4.040 14.730 12.382 367 HE3 MET 50 HE3 MET 50 -5.454 15.781 12.321 368 H ARG 51 HN ARG 51 -10.006 16.815 16.532 369 HA ARG 51 HA ARG 51 -10.129 13.901 16.931 370 HB2 ARG 51 HB2 ARG 51 -12.133 15.931 17.944 371 HB3 ARG 51 HB1 ARG 51 -12.336 14.187 18.019 372 HG2 ARG 51 HG2 ARG 51 -10.477 13.983 19.534 373 HG3 ARG 51 HG1 ARG 51 -10.119 15.705 19.375 374 HD2 ARG 51 HD2 ARG 51 -11.295 15.386 21.421 375 HD3 ARG 51 HD1 ARG 51 -12.386 16.178 20.289 376 HE ARG 51 HE ARG 51 -12.564 13.297 20.399 377 HH11 ARG 51 HH11 ARG 51 -13.830 16.359 21.563 378 HH12 ARG 51 HH12 ARG 51 -15.290 15.661 22.193 379 HH21 ARG 51 HH21 ARG 51 -14.428 12.386 21.262 380 HH22 ARG 51 HH22 ARG 51 -15.611 13.393 22.056 381 H THR 52 HN THR 52 -10.151 16.020 14.717 382 HA THR 52 HA THR 52 -12.071 14.694 13.025 383 HB THR 52 HB THR 52 -12.797 17.212 12.357 384 HG1 THR 52 HG1 THR 52 -12.595 18.591 13.962 385 HG21 THR 52 HG21 THR 52 -14.080 15.599 14.571 386 HG22 THR 52 HG22 THR 52 -14.357 15.380 12.845 387 HG23 THR 52 HG23 THR 52 -14.868 16.871 13.638 388 HA PRO 53 HA PRO 53 -9.051 15.722 9.961 389 HB2 PRO 53 HB2 PRO 53 -10.534 16.327 7.754 390 HB3 PRO 53 HB1 PRO 53 -10.310 14.674 8.342 391 HG2 PRO 53 HG2 PRO 53 -12.610 16.544 8.759 392 HG3 PRO 53 HG1 PRO 53 -12.632 14.811 8.381 393 HD2 PRO 53 HD2 PRO 53 -13.037 15.743 10.874 394 HD3 PRO 53 HD1 PRO 53 -12.209 14.203 10.569 395 H GLY 54 HN GLY 54 -11.338 18.007 10.872 396 HA2 GLY 54 HA2 GLY 54 -9.674 20.199 10.686 397 HA3 GLY 54 HA1 GLY 54 -10.724 20.183 9.268 398 H TYR 55 HN TYR 55 -10.516 21.781 11.817 399 HA TYR 55 HA TYR 55 -11.917 23.124 12.949 400 HB2 TYR 55 HB2 TYR 55 -14.139 21.541 11.633 401 HB3 TYR 55 HB1 TYR 55 -14.397 22.926 12.686 402 HD1 TYR 55 HD2 TYR 55 -13.631 25.179 11.950 403 HD2 TYR 55 HD1 TYR 55 -13.537 21.816 9.350 404 HE1 TYR 55 HE2 TYR 55 -13.442 26.685 10.016 405 HE2 TYR 55 HE1 TYR 55 -13.345 23.311 7.411 406 HH TYR 55 HH TYR 55 -13.919 25.667 6.849 407 H PHE 56 HN PHE 56 -13.495 22.997 14.717 408 HA PHE 56 HA PHE 56 -12.947 20.601 16.302 409 HB2 PHE 56 HB2 PHE 56 -13.847 23.371 17.122 410 HB3 PHE 56 HB1 PHE 56 -13.688 22.022 18.239 411 HD1 PHE 56 HD2 PHE 56 -11.502 21.156 18.847 412 HD2 PHE 56 HD1 PHE 56 -11.903 24.475 16.216 413 HE1 PHE 56 HE2 PHE 56 -9.120 21.688 19.159 414 HE2 PHE 56 HE1 PHE 56 -9.523 25.008 16.522 415 HZ PHE 56 HZ PHE 56 -8.128 23.616 17.995 416 H PHE 57 HN PHE 57 -14.865 20.355 18.043 417 HA PHE 57 HA PHE 57 -17.204 19.799 16.396 418 HB2 PHE 57 HB2 PHE 57 -17.898 18.286 18.199 419 HB3 PHE 57 HB1 PHE 57 -16.253 17.926 17.742 420 HD1 PHE 57 HD2 PHE 57 -14.415 18.655 19.210 421 HD2 PHE 57 HD1 PHE 57 -18.497 18.902 20.325 422 HE1 PHE 57 HE2 PHE 57 -13.761 18.821 21.544 423 HE2 PHE 57 HE1 PHE 57 -17.858 19.066 22.666 424 HZ PHE 57 HZ PHE 57 -15.474 19.033 23.308 425 H GLN 58 HN GLN 58 -19.215 20.603 16.836 426 HA GLN 58 HA GLN 58 -19.283 22.751 18.834 427 HB2 GLN 58 HB2 GLN 58 -20.839 22.449 16.261 428 HB3 GLN 58 HB1 GLN 58 -21.099 23.732 17.437 429 HG2 GLN 58 HG2 GLN 58 -18.835 24.542 17.075 430 HG3 GLN 58 HG1 GLN 58 -18.538 23.234 15.932 431 HE21 GLN 58 HE21 GLN 58 -18.398 26.095 15.544 432 HE22 GLN 58 HE22 GLN 58 -19.498 26.477 14.269 433 H GLN 59 HN GLN 59 -20.425 22.300 20.539 434 HA GLN 59 HA GLN 59 -21.939 19.955 20.838 435 HB2 GLN 59 HB2 GLN 59 -21.774 22.420 22.551 436 HB3 GLN 59 HB1 GLN 59 -22.584 20.941 23.037 437 HG2 GLN 59 HG2 GLN 59 -20.499 19.725 22.955 438 HG3 GLN 59 HG1 GLN 59 -19.661 21.150 22.344 439 HE21 GLN 59 HE21 GLN 59 -18.239 21.047 24.112 440 HE22 GLN 59 HE22 GLN 59 -18.718 21.579 25.683 441 H ALA 60 HN ALA 60 -22.811 23.231 20.310 442 HA ALA 60 HA ALA 60 -24.729 24.290 19.636 443 HB1 ALA 60 HB1 ALA 60 -25.604 21.487 18.908 444 HB2 ALA 60 HB2 ALA 60 -24.792 22.635 17.846 445 HB3 ALA 60 HB3 ALA 60 -26.431 22.963 18.409 446 HA PRO 61 HA PRO 61 -27.517 24.180 23.072 447 HB2 PRO 61 HB2 PRO 61 -29.855 25.110 22.041 448 HB3 PRO 61 HB1 PRO 61 -28.455 26.148 22.337 449 HG2 PRO 61 HG2 PRO 61 -29.381 24.899 19.778 450 HG3 PRO 61 HG1 PRO 61 -28.780 26.542 20.067 451 HD2 PRO 61 HD2 PRO 61 -27.235 24.596 19.006 452 HD3 PRO 61 HD1 PRO 61 -26.576 25.874 20.044 453 H ASN 62 HN ASN 62 -27.552 21.923 23.359 454 HA ASN 62 HA ASN 62 -28.485 19.883 23.643 455 HB2 ASN 62 HB2 ASN 62 -30.269 21.314 24.674 456 HB3 ASN 62 HB1 ASN 62 -31.124 21.274 23.137 457 HD21 ASN 62 HD21 ASN 62 -32.900 20.270 24.024 458 HD22 ASN 62 HD22 ASN 62 -32.898 18.612 24.512 459 H ARG 63 HN ARG 63 -27.390 19.913 21.282 460 HA ARG 63 HA ARG 63 -29.304 18.463 19.625 461 HB2 ARG 63 HB2 ARG 63 -27.385 20.572 18.676 462 HB3 ARG 63 HB1 ARG 63 -28.083 19.372 17.598 463 HG2 ARG 63 HG2 ARG 63 -29.713 21.246 19.289 464 HG3 ARG 63 HG1 ARG 63 -29.239 21.576 17.619 465 HD2 ARG 63 HD2 ARG 63 -30.417 19.612 16.851 466 HD3 ARG 63 HD1 ARG 63 -30.813 19.141 18.499 467 HE ARG 63 HE ARG 63 -31.997 21.440 18.496 468 HH11 ARG 63 HH11 ARG 63 -31.824 19.225 15.769 469 HH12 ARG 63 HH12 ARG 63 -33.320 19.747 15.081 470 HH21 ARG 63 HH21 ARG 63 -33.981 22.132 17.585 471 HH22 ARG 63 HH22 ARG 63 -34.558 21.404 16.125 472 H ARG 64 HN ARG 64 -28.487 16.839 18.351 473 HA ARG 64 HA ARG 64 -26.084 15.637 19.446 474 HB2 ARG 64 HB2 ARG 64 -26.906 13.586 18.520 475 HB3 ARG 64 HB1 ARG 64 -28.165 14.389 19.445 476 HG2 ARG 64 HG2 ARG 64 -28.827 15.351 17.131 477 HG3 ARG 64 HG1 ARG 64 -27.946 13.946 16.524 478 HD2 ARG 64 HD2 ARG 64 -30.134 13.168 16.767 479 HD3 ARG 64 HD1 ARG 64 -29.273 12.618 18.211 480 HE ARG 64 HE ARG 64 -30.810 15.120 18.355 481 HH11 ARG 64 HH11 ARG 64 -30.313 11.801 19.440 482 HH12 ARG 64 HH12 ARG 64 -31.574 11.863 20.619 483 HH21 ARG 64 HH21 ARG 64 -32.464 15.196 19.954 484 HH22 ARG 64 HH22 ARG 64 -32.792 13.806 20.927 485 H ARG 65 HN ARG 65 -26.237 17.808 17.354 486 HA ARG 65 HA ARG 65 -24.875 16.480 15.133 487 HB2 ARG 65 HB2 ARG 65 -25.120 18.697 14.008 488 HB3 ARG 65 HB1 ARG 65 -26.603 17.806 14.311 489 HG2 ARG 65 HG2 ARG 65 -27.433 19.453 15.532 490 HG3 ARG 65 HG1 ARG 65 -25.947 19.573 16.489 491 HD2 ARG 65 HD2 ARG 65 -26.095 20.567 13.714 492 HD3 ARG 65 HD1 ARG 65 -26.638 21.590 15.060 493 HE ARG 65 HE ARG 65 -24.080 20.563 15.616 494 HH11 ARG 65 HH11 ARG 65 -25.616 22.883 13.467 495 HH12 ARG 65 HH12 ARG 65 -24.190 23.836 13.269 496 HH21 ARG 65 HH21 ARG 65 -22.205 21.817 15.367 497 HH22 ARG 65 HH22 ARG 65 -22.224 23.237 14.382 498 H ILE 66 HN ILE 66 -22.806 16.219 15.669 499 HA ILE 66 HA ILE 66 -21.289 18.006 17.228 500 HB ILE 66 HB ILE 66 -19.309 16.708 16.388 501 HG12 ILE 66 HG12 ILE 66 -21.401 15.191 14.796 502 HG13 ILE 66 HG11 ILE 66 -20.180 16.237 14.121 503 HG21 ILE 66 HG21 ILE 66 -20.006 14.590 17.419 504 HG22 ILE 66 HG22 ILE 66 -21.683 15.140 17.355 505 HG23 ILE 66 HG23 ILE 66 -20.510 16.002 18.349 506 HD11 ILE 66 HD11 ILE 66 -19.600 13.859 13.907 507 HD12 ILE 66 HD12 ILE 66 -19.570 13.730 15.667 508 HD13 ILE 66 HD13 ILE 66 -18.413 14.770 14.837 509 H SER 67 HN SER 67 -21.530 17.520 13.760 510 HA SER 67 HA SER 67 -21.489 19.931 12.699 511 HB2 SER 67 HB2 SER 67 -19.355 20.436 13.999 512 HB3 SER 67 HB1 SER 67 -18.548 19.205 13.029 513 HG SER 67 HG SER 67 -18.295 21.371 12.230 514 H ARG 68 HN ARG 68 -19.866 16.909 12.749 515 HA ARG 68 HA ARG 68 -19.618 16.641 9.926 516 HB2 ARG 68 HB2 ARG 68 -19.162 14.743 12.221 517 HB3 ARG 68 HB1 ARG 68 -18.873 14.333 10.543 518 HG2 ARG 68 HG2 ARG 68 -17.535 16.638 11.941 519 HG3 ARG 68 HG1 ARG 68 -16.835 15.019 11.804 520 HD2 ARG 68 HD2 ARG 68 -17.564 16.904 9.569 521 HD3 ARG 68 HD1 ARG 68 -15.952 16.326 10.015 522 HE ARG 68 HE ARG 68 -16.751 14.072 9.425 523 HH11 ARG 68 HH11 ARG 68 -18.170 16.925 7.915 524 HH12 ARG 68 HH12 ARG 68 -18.908 16.031 6.633 525 HH21 ARG 68 HH21 ARG 68 -17.802 12.912 7.769 526 HH22 ARG 68 HH22 ARG 68 -18.691 13.757 6.545 527 H GLU 69 HN GLU 69 -20.613 15.016 8.691 528 HA GLU 69 HA GLU 69 -23.432 14.945 9.071 529 HB2 GLU 69 HB2 GLU 69 -22.411 15.259 6.878 530 HB3 GLU 69 HB1 GLU 69 -21.665 13.673 6.982 531 HG2 GLU 69 HG2 GLU 69 -23.876 12.637 6.968 532 HG3 GLU 69 HG1 GLU 69 -24.619 14.233 6.860 533 H HIS 70 HN HIS 70 -24.615 13.430 10.024 534 HA HIS 70 HA HIS 70 -23.849 10.648 9.916 535 HB2 HIS 70 HB2 HIS 70 -23.789 10.219 12.264 536 HB3 HIS 70 HB1 HIS 70 -22.718 11.587 11.994 537 HD2 HIS 70 HD2 HIS 70 -23.627 14.031 13.110 538 HE1 HIS 70 HE1 HIS 70 -26.812 12.262 15.283 539 HE2 HIS 70 HE2 HIS 70 -25.247 14.212 15.129 540 H GLY 71 HN GLY 71 -25.625 9.280 10.990 541 HA2 GLY 71 HA2 GLY 71 -28.180 10.510 10.219 542 HA3 GLY 71 HA1 GLY 71 -27.863 8.785 10.326 543 H ARG 72 HN ARG 72 -27.540 7.885 12.465 544 HA ARG 72 HA ARG 72 -28.230 9.272 14.845 545 HB2 ARG 72 HB2 ARG 72 -30.485 9.081 13.628 546 HB3 ARG 72 HB1 ARG 72 -30.341 7.356 13.900 547 HG2 ARG 72 HG2 ARG 72 -30.272 7.721 16.307 548 HG3 ARG 72 HG1 ARG 72 -30.403 9.463 16.050 549 HD2 ARG 72 HD2 ARG 72 -32.575 8.621 16.590 550 HD3 ARG 72 HD1 ARG 72 -32.562 9.060 14.884 551 HE ARG 72 HE ARG 72 -32.399 6.702 14.347 552 HH11 ARG 72 HH11 ARG 72 -33.340 7.495 17.643 553 HH12 ARG 72 HH12 ARG 72 -34.024 5.941 17.949 554 HH21 ARG 72 HH21 ARG 72 -33.269 4.662 14.756 555 HH22 ARG 72 HH22 ARG 72 -33.997 4.309 16.294 556 H THR 73 HN THR 73 -28.690 6.151 13.346 557 HA THR 73 HA THR 73 -27.411 4.920 15.647 558 HB THR 73 HB THR 73 -28.382 2.853 14.617 559 HG1 THR 73 HG1 THR 73 -30.343 3.817 13.209 560 HG21 THR 73 HG21 THR 73 -30.672 3.348 15.391 561 HG22 THR 73 HG22 THR 73 -30.282 5.070 15.369 562 HG23 THR 73 HG23 THR 73 -29.458 3.993 16.498 563 H TRP 74 HN TRP 74 -26.587 6.178 12.839 564 HA TRP 74 HA TRP 74 -24.284 4.449 12.487 565 HB2 TRP 74 HB2 TRP 74 -24.536 4.535 10.022 566 HB3 TRP 74 HB1 TRP 74 -25.877 3.688 10.783 567 HD1 TRP 74 HD1 TRP 74 -28.277 4.977 10.811 568 HE1 TRP 74 HE1 TRP 74 -29.231 6.786 9.250 569 HE3 TRP 74 HE3 TRP 74 -23.926 6.543 8.615 570 HZ2 TRP 74 HZ2 TRP 74 -28.270 8.631 7.339 571 HZ3 TRP 74 HZ3 TRP 74 -24.037 8.330 6.930 572 HH2 TRP 74 HH2 TRP 74 -26.160 9.352 6.305 573 H THR 75 HN THR 75 -22.475 5.591 11.827 574 HA THR 75 HA THR 75 -22.837 8.492 11.528 575 HB THR 75 HB THR 75 -20.564 7.148 13.034 576 HG1 THR 75 HG1 THR 75 -21.631 7.881 14.891 577 HG21 THR 75 HG21 THR 75 -20.077 9.392 11.997 578 HG22 THR 75 HG22 THR 75 -19.953 9.357 13.753 579 HG23 THR 75 HG23 THR 75 -21.372 10.071 12.989 580 H LYS 76 HN LYS 76 -21.954 9.281 9.734 581 HA LYS 76 HA LYS 76 -20.288 7.601 8.074 582 HB2 LYS 76 HB2 LYS 76 -22.054 8.842 6.978 583 HB3 LYS 76 HB1 LYS 76 -21.496 10.351 7.650 584 HG2 LYS 76 HG2 LYS 76 -19.516 10.272 6.310 585 HG3 LYS 76 HG1 LYS 76 -20.009 8.703 5.658 586 HD2 LYS 76 HD2 LYS 76 -21.988 9.669 4.688 587 HD3 LYS 76 HD1 LYS 76 -21.641 11.227 5.441 588 HE2 LYS 76 HE2 LYS 76 -19.699 9.920 3.647 589 HE3 LYS 76 HE1 LYS 76 -21.030 10.856 2.954 590 HZ1 LYS 76 HZ1 LYS 76 -19.091 12.253 3.193 591 HZ2 LYS 76 HZ2 LYS 76 -18.918 11.840 4.820 592 HZ3 LYS 76 HZ3 LYS 76 -20.254 12.746 4.314 593 H LEU 77 HN LEU 77 -18.215 7.517 8.529 594 HA LEU 77 HA LEU 77 -17.001 9.739 9.963 595 HB2 LEU 77 HB2 LEU 77 -15.813 7.040 9.347 596 HB3 LEU 77 HB1 LEU 77 -15.208 8.224 10.489 597 HG LEU 77 HG LEU 77 -17.705 6.557 10.737 598 HD11 LEU 77 HD11 LEU 77 -15.215 6.705 12.419 599 HD12 LEU 77 HD12 LEU 77 -15.630 5.419 11.290 600 HD13 LEU 77 HD13 LEU 77 -16.622 5.683 12.724 601 HD21 LEU 77 HD21 LEU 77 -16.724 8.750 12.548 602 HD22 LEU 77 HD22 LEU 77 -18.074 7.661 12.870 603 HD23 LEU 77 HD23 LEU 77 -18.162 8.804 11.530 604 H THR 78 HN THR 78 -16.002 11.224 8.913 605 HA THR 78 HA THR 78 -14.635 10.535 6.404 606 HB THR 78 HB THR 78 -15.857 13.144 7.332 607 HG1 THR 78 HG1 THR 78 -16.817 11.021 6.101 608 HG21 THR 78 HG21 THR 78 -13.792 13.545 6.019 609 HG22 THR 78 HG22 THR 78 -15.225 14.013 5.105 610 HG23 THR 78 HG23 THR 78 -14.402 12.495 4.741 611 H TYR 79 HN TYR 79 -12.490 10.384 6.694 612 HA TYR 79 HA TYR 79 -11.282 11.903 8.916 613 HB2 TYR 79 HB2 TYR 79 -9.868 9.746 7.383 614 HB3 TYR 79 HB1 TYR 79 -9.606 10.284 9.035 615 HD1 TYR 79 HD2 TYR 79 -11.330 9.648 10.796 616 HD2 TYR 79 HD1 TYR 79 -11.283 7.956 6.893 617 HE1 TYR 79 HE2 TYR 79 -12.704 7.765 11.596 618 HE2 TYR 79 HE1 TYR 79 -12.647 6.075 7.679 619 HH TYR 79 HH TYR 79 -13.176 4.935 9.736 620 H ALA 80 HN ALA 80 -11.515 11.806 5.532 621 HA ALA 80 HA ALA 80 -10.551 12.945 3.830 622 HB1 ALA 80 HB1 ALA 80 -10.638 14.922 5.298 623 HB2 ALA 80 HB2 ALA 80 -9.210 14.941 4.260 624 HB3 ALA 80 HB3 ALA 80 -9.058 14.491 5.958 625 H ASN 81 HN ASN 81 -9.136 10.758 5.616 626 HA ASN 81 HA ASN 81 -6.674 10.710 4.015 627 HB2 ASN 81 HB2 ASN 81 -6.991 9.946 6.928 628 HB3 ASN 81 HB1 ASN 81 -5.590 9.517 5.961 629 HD21 ASN 81 HD21 ASN 81 -5.582 12.039 4.498 630 HD22 ASN 81 HD22 ASN 81 -4.983 13.222 5.603 631 H HIS 82 HN HIS 82 -6.093 8.726 3.206 632 HA HIS 82 HA HIS 82 -8.252 6.791 3.144 633 HB2 HIS 82 HB2 HIS 82 -7.097 7.523 1.050 634 HB3 HIS 82 HB1 HIS 82 -5.641 6.719 1.626 635 HD2 HIS 82 HD2 HIS 82 -5.507 4.051 1.038 636 HE1 HIS 82 HE1 HIS 82 -9.517 3.567 -0.242 637 HE2 HIS 82 HE2 HIS 82 -7.209 2.578 -0.226 638 H SER 83 HN SER 83 -5.166 7.166 4.631 639 HA SER 83 HA SER 83 -4.529 4.451 5.007 640 HB2 SER 83 HB2 SER 83 -2.890 6.268 5.334 641 HB3 SER 83 HB1 SER 83 -3.779 6.804 6.761 642 HG SER 83 HG SER 83 -2.615 4.242 6.405 643 H SER 84 HN SER 84 -6.418 6.713 6.934 644 HA SER 84 HA SER 84 -6.837 4.998 9.134 645 HB2 SER 84 HB2 SER 84 -8.757 6.647 9.552 646 HB3 SER 84 HB1 SER 84 -7.118 7.300 9.513 647 HG SER 84 HG SER 84 -9.225 7.733 7.800 648 H TYR 85 HN TYR 85 -8.208 5.131 6.003 649 HA TYR 85 HA TYR 85 -10.785 4.113 6.419 650 HB2 TYR 85 HB2 TYR 85 -10.109 5.042 4.281 651 HB3 TYR 85 HB1 TYR 85 -8.869 3.817 4.092 652 HD1 TYR 85 HD1 TYR 85 -12.446 4.549 3.828 653 HD2 TYR 85 HD2 TYR 85 -9.455 1.564 3.366 654 HE1 TYR 85 HE1 TYR 85 -14.016 3.173 2.521 655 HE2 TYR 85 HE2 TYR 85 -11.011 0.186 2.069 656 HH TYR 85 HH TYR 85 -13.420 -0.085 1.790 657 H LEU 86 HN LEU 86 -7.732 2.423 5.724 658 HA LEU 86 HA LEU 86 -8.833 -0.179 5.842 659 HB2 LEU 86 HB2 LEU 86 -6.009 0.813 6.058 660 HB3 LEU 86 HB1 LEU 86 -6.410 -0.888 6.152 661 HG LEU 86 HG LEU 86 -7.484 -0.608 3.861 662 HD11 LEU 86 HD11 LEU 86 -7.616 1.834 3.882 663 HD12 LEU 86 HD12 LEU 86 -6.725 1.227 2.487 664 HD13 LEU 86 HD13 LEU 86 -5.854 1.923 3.855 665 HD21 LEU 86 HD21 LEU 86 -5.379 -1.758 4.210 666 HD22 LEU 86 HD22 LEU 86 -4.512 -0.224 4.149 667 HD23 LEU 86 HD23 LEU 86 -5.341 -0.828 2.712 668 H ARG 87 HN ARG 87 -7.244 1.827 8.245 669 HA ARG 87 HA ARG 87 -6.958 -0.153 10.227 670 HB2 ARG 87 HB2 ARG 87 -5.739 1.990 10.253 671 HB3 ARG 87 HB1 ARG 87 -7.245 2.834 10.587 672 HG2 ARG 87 HG2 ARG 87 -7.438 1.579 12.707 673 HG3 ARG 87 HG1 ARG 87 -5.882 0.829 12.365 674 HD2 ARG 87 HD2 ARG 87 -6.320 3.801 12.611 675 HD3 ARG 87 HD1 ARG 87 -5.753 2.769 13.920 676 HE ARG 87 HE ARG 87 -4.281 3.308 11.419 677 HH11 ARG 87 HH11 ARG 87 -4.324 2.359 14.810 678 HH12 ARG 87 HH12 ARG 87 -2.607 2.377 14.968 679 HH21 ARG 87 HH21 ARG 87 -1.985 3.325 11.635 680 HH22 ARG 87 HH22 ARG 87 -1.272 2.922 13.156 681 H ALA 88 HN ALA 88 -9.559 2.183 9.621 682 HA ALA 88 HA ALA 88 -11.089 1.314 11.914 683 HB1 ALA 88 HB1 ALA 88 -11.146 3.645 11.170 684 HB2 ALA 88 HB2 ALA 88 -12.755 2.919 11.156 685 HB3 ALA 88 HB3 ALA 88 -11.870 3.138 9.643 686 H LEU 89 HN LEU 89 -10.655 0.177 8.802 687 HA LEU 89 HA LEU 89 -13.271 -0.578 8.049 688 HB2 LEU 89 HB2 LEU 89 -11.294 -0.334 6.539 689 HB3 LEU 89 HB1 LEU 89 -10.656 -1.822 7.202 690 HG LEU 89 HG LEU 89 -12.718 -2.983 6.344 691 HD11 LEU 89 HD11 LEU 89 -14.159 -1.030 6.152 692 HD12 LEU 89 HD12 LEU 89 -13.996 -1.847 4.596 693 HD13 LEU 89 HD13 LEU 89 -13.096 -0.363 4.912 694 HD21 LEU 89 HD21 LEU 89 -10.592 -3.122 5.169 695 HD22 LEU 89 HD22 LEU 89 -10.941 -1.609 4.332 696 HD23 LEU 89 HD23 LEU 89 -11.929 -3.033 4.020 697 H ARG 90 HN ARG 90 -11.395 -1.794 10.539 698 HA ARG 90 HA ARG 90 -11.896 -4.574 10.179 699 HB2 ARG 90 HB2 ARG 90 -10.916 -4.917 12.363 700 HB3 ARG 90 HB1 ARG 90 -9.938 -3.800 11.430 701 HG2 ARG 90 HG2 ARG 90 -10.832 -1.921 12.716 702 HG3 ARG 90 HG1 ARG 90 -11.870 -3.026 13.618 703 HD2 ARG 90 HD2 ARG 90 -9.858 -4.222 14.383 704 HD3 ARG 90 HD1 ARG 90 -8.861 -3.017 13.580 705 HE ARG 90 HE ARG 90 -10.371 -2.722 16.039 706 HH11 ARG 90 HH11 ARG 90 -8.583 -1.080 13.499 707 HH12 ARG 90 HH12 ARG 90 -8.130 0.248 14.511 708 HH21 ARG 90 HH21 ARG 90 -9.745 -0.949 17.382 709 HH22 ARG 90 HH22 ARG 90 -8.792 0.329 16.701 710 H GLU 91 HN GLU 91 -14.143 -4.780 9.903 711 HA GLU 91 HA GLU 91 -15.892 -4.157 12.125 712 HB2 GLU 91 HB2 GLU 91 -17.660 -5.207 10.781 713 HB3 GLU 91 HB1 GLU 91 -16.772 -4.020 9.837 714 HG2 GLU 91 HG2 GLU 91 -15.577 -5.740 8.684 715 HG3 GLU 91 HG1 GLU 91 -16.258 -6.980 9.733 716 H HIS 92 HN HIS 92 -14.260 -6.939 10.790 717 HA HIS 92 HA HIS 92 -15.550 -8.799 12.569 718 HB2 HIS 92 HB2 HIS 92 -14.937 -9.533 10.325 719 HB3 HIS 92 HB1 HIS 92 -13.248 -9.163 10.646 720 HD2 HIS 92 HD2 HIS 92 -15.896 -11.625 12.296 721 HE1 HIS 92 HE1 HIS 92 -12.070 -13.450 12.227 722 HE2 HIS 92 HE2 HIS 92 -14.446 -13.629 13.038 723 H GLY 93 HN GLY 93 -14.887 -9.343 14.525 724 HA2 GLY 93 HA2 GLY 93 -13.264 -9.921 16.140 725 HA3 GLY 93 HA1 GLY 93 -12.071 -8.997 15.238 726 H THR 94 HN THR 94 -14.644 -7.065 15.218 727 HA THR 94 HA THR 94 -13.780 -5.710 17.665 728 HB THR 94 HB THR 94 -15.155 -4.431 15.290 729 HG1 THR 94 HG1 THR 94 -13.244 -4.179 14.395 730 HG21 THR 94 HG21 THR 94 -15.340 -3.208 17.415 731 HG22 THR 94 HG22 THR 94 -14.296 -2.351 16.280 732 HG23 THR 94 HG23 THR 94 -13.588 -3.274 17.609 733 H ILE 95 HN ILE 95 -15.209 -6.830 19.004 734 HA ILE 95 HA ILE 95 -18.041 -6.166 18.610 735 HB ILE 95 HB ILE 95 -16.799 -8.468 20.133 736 HG12 ILE 95 HG12 ILE 95 -18.778 -8.464 17.856 737 HG13 ILE 95 HG11 ILE 95 -17.038 -8.639 17.635 738 HG21 ILE 95 HG21 ILE 95 -18.669 -7.582 21.425 739 HG22 ILE 95 HG22 ILE 95 -19.087 -9.145 20.722 740 HG23 ILE 95 HG23 ILE 95 -19.706 -7.658 19.999 741 HD11 ILE 95 HD11 ILE 95 -18.833 -10.513 19.168 742 HD12 ILE 95 HD12 ILE 95 -17.089 -10.699 18.959 743 HD13 ILE 95 HD13 ILE 95 -18.160 -10.791 17.561 744 H TYR 96 HN TYR 96 -18.787 -4.655 19.854 745 HA TYR 96 HA TYR 96 -17.547 -4.221 22.482 746 HB2 TYR 96 HB2 TYR 96 -16.977 -2.515 20.621 747 HB3 TYR 96 HB1 TYR 96 -18.650 -1.993 20.774 748 HD1 TYR 96 HD2 TYR 96 -19.438 -1.161 23.045 749 HD2 TYR 96 HD1 TYR 96 -15.345 -1.767 22.100 750 HE1 TYR 96 HE2 TYR 96 -18.805 0.255 24.939 751 HE2 TYR 96 HE1 TYR 96 -14.688 -0.346 24.000 752 HH TYR 96 HH TYR 96 -16.798 0.524 26.440 753 H CYS 97 HN CYS 97 -18.982 -4.053 24.122 754 HA CYS 97 HA CYS 97 -20.926 -4.035 25.288 755 HB2 CYS 97 HB2 CYS 97 -21.100 -1.803 24.015 756 HB3 CYS 97 HB1 CYS 97 -22.222 -2.633 22.944 757 HG CYS 97 HG CYS 97 -22.788 -1.188 25.821 758 H GLY 98 HN GLY 98 -20.325 -6.199 23.338 759 HA2 GLY 98 HA2 GLY 98 -21.366 -8.246 22.992 760 HA3 GLY 98 HA1 GLY 98 -22.863 -7.552 23.579 761 H ALA 99 HN ALA 99 -21.271 -5.808 21.078 762 HA ALA 99 HA ALA 99 -22.801 -7.169 18.995 763 HB1 ALA 99 HB1 ALA 99 -24.253 -5.377 19.822 764 HB2 ALA 99 HB2 ALA 99 -23.726 -5.087 18.162 765 HB3 ALA 99 HB3 ALA 99 -22.978 -4.203 19.492 766 H ALA 100 HN ALA 100 -22.009 -6.845 16.907 767 HA ALA 100 HA ALA 100 -19.252 -5.888 16.822 768 HB1 ALA 100 HB1 ALA 100 -20.821 -7.483 14.796 769 HB2 ALA 100 HB2 ALA 100 -19.687 -8.146 15.970 770 HB3 ALA 100 HB3 ALA 100 -19.110 -7.078 14.691 771 H ILE 101 HN ILE 101 -18.769 -4.006 15.899 772 HA ILE 101 HA ILE 101 -20.912 -2.520 14.654 773 HB ILE 101 HB ILE 101 -19.371 -0.602 14.641 774 HG12 ILE 101 HG12 ILE 101 -17.390 -2.447 16.001 775 HG13 ILE 101 HG11 ILE 101 -17.269 -1.914 14.326 776 HG21 ILE 101 HG21 ILE 101 -19.204 -0.305 17.068 777 HG22 ILE 101 HG22 ILE 101 -19.487 -2.027 17.299 778 HG23 ILE 101 HG23 ILE 101 -20.753 -1.013 16.608 779 HD11 ILE 101 HD11 ILE 101 -17.066 0.399 15.080 780 HD12 ILE 101 HD12 ILE 101 -15.809 -0.619 15.780 781 HD13 ILE 101 HD13 ILE 101 -17.196 -0.131 16.755 782 H GLY 102 HN GLY 102 -21.076 -2.006 12.558 783 HA2 GLY 102 HA2 GLY 102 -19.252 -3.459 10.786 784 HA3 GLY 102 HA1 GLY 102 -20.873 -2.916 10.377 785 H CYS 103 HN CYS 103 -17.622 -2.307 10.095 786 HA CYS 103 HA CYS 103 -18.044 0.488 9.331 787 HB2 CYS 103 HB2 CYS 103 -15.435 -1.007 9.637 788 HB3 CYS 103 HB1 CYS 103 -15.646 0.729 9.449 789 HG CYS 103 HG CYS 103 -14.842 0.101 12.061 790 H VAL 104 HN VAL 104 -18.789 0.452 7.281 791 HA VAL 104 HA VAL 104 -17.226 -1.097 5.327 792 HB VAL 104 HB VAL 104 -19.324 -1.348 3.988 793 HG11 VAL 104 HG11 VAL 104 -18.544 -3.187 5.367 794 HG12 VAL 104 HG12 VAL 104 -20.307 -3.127 5.368 795 HG13 VAL 104 HG13 VAL 104 -19.401 -2.532 6.761 796 HG21 VAL 104 HG21 VAL 104 -20.651 -0.294 6.486 797 HG22 VAL 104 HG22 VAL 104 -21.482 -1.002 5.102 798 HG23 VAL 104 HG23 VAL 104 -20.594 0.508 4.918 799 HA PRO 105 HA PRO 105 -16.660 2.616 2.980 800 HB2 PRO 105 HB2 PRO 105 -17.180 1.721 0.423 801 HB3 PRO 105 HB1 PRO 105 -15.646 1.471 1.266 802 HG2 PRO 105 HG2 PRO 105 -17.958 -0.402 0.947 803 HG3 PRO 105 HG1 PRO 105 -16.220 -0.738 0.842 804 HD2 PRO 105 HD2 PRO 105 -17.617 -1.356 3.033 805 HD3 PRO 105 HD1 PRO 105 -15.954 -0.749 3.146 806 H TYR 106 HN TYR 106 -17.826 4.254 1.927 807 HA TYR 106 HA TYR 106 -20.549 4.380 2.567 808 HB2 TYR 106 HB2 TYR 106 -19.070 6.356 2.354 809 HB3 TYR 106 HB1 TYR 106 -19.020 6.110 0.613 810 HD1 TYR 106 HD1 TYR 106 -21.151 7.090 3.448 811 HD2 TYR 106 HD2 TYR 106 -20.859 6.813 -0.786 812 HE1 TYR 106 HE1 TYR 106 -23.150 8.499 3.227 813 HE2 TYR 106 HE2 TYR 106 -22.861 8.218 -1.024 814 HH TYR 106 HH TYR 106 -24.185 9.970 1.578 815 H LYS 107 HN LYS 107 -21.809 2.848 1.685 816 HA LYS 107 HA LYS 107 -21.898 2.574 -1.224 817 HB2 LYS 107 HB2 LYS 107 -23.182 0.991 1.000 818 HB3 LYS 107 HB1 LYS 107 -23.518 0.711 -0.698 819 HG2 LYS 107 HG2 LYS 107 -21.190 0.107 -1.066 820 HG3 LYS 107 HG1 LYS 107 -20.832 0.435 0.633 821 HD2 LYS 107 HD2 LYS 107 -22.417 -1.312 1.297 822 HD3 LYS 107 HD1 LYS 107 -22.774 -1.634 -0.398 823 HE2 LYS 107 HE2 LYS 107 -20.044 -1.898 0.852 824 HE3 LYS 107 HE1 LYS 107 -21.170 -3.237 0.630 825 HZ1 LYS 107 HZ1 LYS 107 -20.048 -1.562 -1.551 826 HZ2 LYS 107 HZ2 LYS 107 -21.087 -2.877 -1.748 827 HZ3 LYS 107 HZ3 LYS 107 -19.528 -3.118 -1.147 828 H HIS 108 HN HIS 108 -23.467 3.447 -2.386 829 HA HIS 108 HA HIS 108 -25.203 5.364 -1.257 830 HB2 HIS 108 HB2 HIS 108 -25.132 4.118 -4.010 831 HB3 HIS 108 HB1 HIS 108 -26.172 5.466 -3.565 832 HD2 HIS 108 HD2 HIS 108 -24.908 7.945 -3.422 833 HE1 HIS 108 HE1 HIS 108 -21.067 6.561 -4.577 834 HE2 HIS 108 HE2 HIS 108 -22.496 8.581 -4.120 835 H GLU 109 HN GLU 109 -25.719 2.086 -2.474 836 HA GLU 109 HA GLU 109 -28.536 2.117 -2.134 837 HB2 GLU 109 HB2 GLU 109 -27.324 0.549 -3.632 838 HB3 GLU 109 HB1 GLU 109 -26.691 -0.269 -2.212 839 HG2 GLU 109 HG2 GLU 109 -28.888 -0.942 -1.544 840 HG3 GLU 109 HG1 GLU 109 -29.616 0.015 -2.833 841 H LEU 110 HN LEU 110 -25.844 1.236 -0.088 842 HA LEU 110 HA LEU 110 -27.260 -0.043 1.976 843 HB2 LEU 110 HB2 LEU 110 -24.831 -0.138 1.805 844 HB3 LEU 110 HB1 LEU 110 -24.731 1.589 2.096 845 HG LEU 110 HG LEU 110 -25.727 1.182 4.361 846 HD11 LEU 110 HD11 LEU 110 -25.618 -1.075 5.268 847 HD12 LEU 110 HD12 LEU 110 -25.167 -1.697 3.680 848 HD13 LEU 110 HD13 LEU 110 -26.758 -0.973 3.927 849 HD21 LEU 110 HD21 LEU 110 -23.630 0.364 5.322 850 HD22 LEU 110 HD22 LEU 110 -23.353 1.558 4.054 851 HD23 LEU 110 HD23 LEU 110 -23.108 -0.157 3.721 852 H ILE 111 HN ILE 111 -26.487 3.336 1.348 853 HA ILE 111 HA ILE 111 -27.421 4.402 3.754 854 HB ILE 111 HB ILE 111 -27.274 5.605 0.982 855 HG12 ILE 111 HG12 ILE 111 -25.125 4.953 1.976 856 HG13 ILE 111 HG11 ILE 111 -25.257 6.697 1.825 857 HG21 ILE 111 HG21 ILE 111 -27.494 7.803 2.055 858 HG22 ILE 111 HG22 ILE 111 -27.794 7.013 3.601 859 HG23 ILE 111 HG23 ILE 111 -28.943 6.820 2.276 860 HD11 ILE 111 HD11 ILE 111 -24.238 6.125 3.930 861 HD12 ILE 111 HD12 ILE 111 -25.592 5.077 4.342 862 HD13 ILE 111 HD13 ILE 111 -25.832 6.820 4.227 863 H SER 112 HN SER 112 -29.071 3.779 0.669 864 HA SER 112 HA SER 112 -31.563 4.844 1.375 865 HB2 SER 112 HB2 SER 112 -31.032 2.471 -0.434 866 HB3 SER 112 HB1 SER 112 -32.460 3.507 -0.452 867 HG SER 112 HG SER 112 -30.677 5.232 -0.776 868 H GLU 113 HN GLU 113 -30.194 1.625 1.837 869 HA GLU 113 HA GLU 113 -32.448 0.354 2.925 870 HB2 GLU 113 HB2 GLU 113 -29.491 -0.123 3.240 871 HB3 GLU 113 HB1 GLU 113 -30.692 -1.169 3.978 872 HG2 GLU 113 HG2 GLU 113 -30.604 -0.608 1.032 873 HG3 GLU 113 HG1 GLU 113 -29.729 -1.940 1.791 874 H LEU 114 HN LEU 114 -29.846 2.128 4.582 875 HA LEU 114 HA LEU 114 -31.119 1.528 7.107 876 HB2 LEU 114 HB2 LEU 114 -29.156 2.667 8.098 877 HB3 LEU 114 HB1 LEU 114 -28.809 1.277 7.100 878 HG LEU 114 HG LEU 114 -28.271 2.958 5.240 879 HD11 LEU 114 HD11 LEU 114 -27.564 5.144 5.961 880 HD12 LEU 114 HD12 LEU 114 -28.044 4.768 7.618 881 HD13 LEU 114 HD13 LEU 114 -29.270 4.891 6.351 882 HD21 LEU 114 HD21 LEU 114 -26.593 1.607 6.375 883 HD22 LEU 114 HD22 LEU 114 -26.510 2.791 7.682 884 HD23 LEU 114 HD23 LEU 114 -25.989 3.232 6.054 885 H SER 115 HN SER 115 -31.283 3.997 4.852 886 HA SER 115 HA SER 115 -31.906 6.061 6.776 887 HB2 SER 115 HB2 SER 115 -32.126 6.072 3.768 888 HB3 SER 115 HB1 SER 115 -32.466 7.465 4.796 889 HG SER 115 HG SER 115 -30.019 6.103 4.418 890 H ARG 116 HN ARG 116 -33.695 3.493 5.505 891 HA ARG 116 HA ARG 116 -36.201 4.901 5.449 892 HB2 ARG 116 HB2 ARG 116 -37.264 2.696 5.204 893 HB3 ARG 116 HB1 ARG 116 -35.979 2.959 4.040 894 HG2 ARG 116 HG2 ARG 116 -34.492 1.558 5.357 895 HG3 ARG 116 HG1 ARG 116 -35.774 1.317 6.548 896 HD2 ARG 116 HD2 ARG 116 -37.164 0.246 4.879 897 HD3 ARG 116 HD1 ARG 116 -35.964 0.567 3.638 898 HE ARG 116 HE ARG 116 -35.578 -1.277 5.903 899 HH11 ARG 116 HH11 ARG 116 -34.997 -0.300 2.589 900 HH12 ARG 116 HH12 ARG 116 -33.939 -1.625 2.229 901 HH21 ARG 116 HH21 ARG 116 -34.189 -3.060 5.444 902 HH22 ARG 116 HH22 ARG 116 -33.471 -3.198 3.871 903 H GLU 117 HN GLU 117 -34.348 4.433 7.969 904 HA GLU 117 HA GLU 117 -36.272 3.454 9.855 905 HB2 GLU 117 HB2 GLU 117 -33.859 3.057 10.243 906 HB3 GLU 117 HB1 GLU 117 -33.594 4.794 10.333 907 HG2 GLU 117 HG2 GLU 117 -35.028 4.915 12.306 908 HG3 GLU 117 HG1 GLU 117 -35.302 3.180 12.215 909 H GLY 118 HN GLY 118 -37.901 4.852 9.350 910 HA2 GLY 118 HA2 GLY 118 -38.209 6.955 11.164 911 HA3 GLY 118 HA1 GLY 118 -37.783 7.648 9.604 912 H HIS 119 HN HIS 119 -39.595 8.508 8.915 913 HA HIS 119 HA HIS 119 -41.902 6.744 8.534 914 HB2 HIS 119 HB2 HIS 119 -41.878 9.390 9.923 915 HB3 HIS 119 HB1 HIS 119 -43.273 8.972 8.940 916 HD2 HIS 119 HD2 HIS 119 -41.382 7.376 12.039 917 HE1 HIS 119 HE1 HIS 119 -45.494 6.357 12.186 918 HE2 HIS 119 HE2 HIS 119 -43.293 6.261 13.385 919 H HIS 120 HN HIS 120 -42.983 7.005 6.659 920 HA HIS 120 HA HIS 120 -42.022 9.121 4.875 921 HB2 HIS 120 HB2 HIS 120 -42.580 7.537 2.965 922 HB3 HIS 120 HB1 HIS 120 -41.187 7.094 3.936 923 HD2 HIS 120 HD2 HIS 120 -41.633 4.791 5.626 924 HE1 HIS 120 HE1 HIS 120 -45.045 3.511 3.460 925 HE2 HIS 120 HE2 HIS 120 -43.289 2.862 5.131 926 H HIS 121 HN HIS 121 -43.584 10.556 5.372 927 HA HIS 121 HA HIS 121 -46.280 9.877 4.424 928 HB2 HIS 121 HB2 HIS 121 -47.294 11.072 6.300 929 HB3 HIS 121 HB1 HIS 121 -46.282 9.759 6.889 930 HD2 HIS 121 HD2 HIS 121 -46.675 13.549 7.289 931 HE1 HIS 121 HE1 HIS 121 -43.077 12.479 9.259 932 HE2 HIS 121 HE2 HIS 121 -44.907 14.188 9.061 933 H HIS 122 HN HIS 122 -43.747 11.642 3.720 934 HA HIS 122 HA HIS 122 -45.047 14.231 3.505 935 HB2 HIS 122 HB2 HIS 122 -42.672 14.200 4.135 936 HB3 HIS 122 HB1 HIS 122 -42.273 13.388 2.623 937 HD2 HIS 122 HD2 HIS 122 -42.326 15.058 0.323 938 HE1 HIS 122 HE1 HIS 122 -42.812 18.682 2.462 939 HE2 HIS 122 HE2 HIS 122 -42.616 17.613 0.193 940 H HIS 123 HN HIS 123 -46.006 14.985 1.775 941 HA HIS 123 HA HIS 123 -45.580 13.592 -0.775 942 HB2 HIS 123 HB2 HIS 123 -48.104 14.897 0.277 943 HB3 HIS 123 HB1 HIS 123 -47.905 14.323 -1.376 944 HD2 HIS 123 HD2 HIS 123 -47.536 11.438 -1.538 945 HE1 HIS 123 HE1 HIS 123 -49.338 10.767 2.239 946 HE2 HIS 123 HE2 HIS 123 -48.259 9.707 0.228 947 H HIS 124 HN HIS 124 -45.644 14.927 -2.670 948 HA HIS 124 HA HIS 124 -45.053 16.713 -3.908 949 HB2 HIS 124 HB2 HIS 124 -46.096 18.287 -1.541 950 HB3 HIS 124 HB1 HIS 124 -45.529 19.033 -3.029 951 HD2 HIS 124 HD2 HIS 124 -48.631 17.134 -1.664 952 HE1 HIS 124 HE1 HIS 124 -49.455 18.334 -5.646 953 HE2 HIS 124 HE2 HIS 124 -50.435 17.543 -3.471 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -22.469 -6.746 -14.953 2 H2 MET 1 HT2 MET 1 -21.741 -5.580 -15.935 3 H3 MET 1 HT3 MET 1 -23.099 -6.408 -16.483 4 HA MET 1 HA MET 1 -23.647 -4.169 -15.778 5 HB2 MET 1 HB2 MET 1 -24.721 -6.380 -14.017 6 HB3 MET 1 HB1 MET 1 -25.435 -4.782 -14.138 7 HG2 MET 1 HG2 MET 1 -25.841 -5.179 -16.532 8 HG3 MET 1 HG1 MET 1 -25.194 -6.811 -16.345 9 HE1 MET 1 HE1 MET 1 -26.332 -8.716 -14.997 10 HE2 MET 1 HE2 MET 1 -27.789 -8.522 -14.024 11 HE3 MET 1 HE3 MET 1 -26.291 -7.731 -13.536 12 H SER 2 HN SER 2 -23.752 -2.623 -14.132 13 HA SER 2 HA SER 2 -22.904 -1.382 -12.446 14 HB2 SER 2 HB2 SER 2 -23.045 -3.986 -10.911 15 HB3 SER 2 HB1 SER 2 -23.065 -2.359 -10.231 16 HG SER 2 HG SER 2 -25.026 -2.027 -11.484 17 H LEU 3 HN LEU 3 -20.892 -1.396 -13.822 18 HA LEU 3 HA LEU 3 -18.631 -2.907 -13.030 19 HB2 LEU 3 HB2 LEU 3 -18.826 -0.267 -14.480 20 HB3 LEU 3 HB1 LEU 3 -17.343 -1.181 -14.287 21 HG LEU 3 HG LEU 3 -19.791 -2.114 -15.787 22 HD11 LEU 3 HD11 LEU 3 -18.392 -1.854 -17.776 23 HD12 LEU 3 HD12 LEU 3 -17.114 -1.163 -16.777 24 HD13 LEU 3 HD13 LEU 3 -18.653 -0.321 -16.944 25 HD21 LEU 3 HD21 LEU 3 -17.079 -3.389 -15.443 26 HD22 LEU 3 HD22 LEU 3 -18.333 -3.945 -16.550 27 HD23 LEU 3 HD23 LEU 3 -18.613 -3.991 -14.813 28 H GLY 4 HN GLY 4 -19.879 0.247 -12.102 29 HA2 GLY 4 HA2 GLY 4 -19.331 0.538 -9.584 30 HA3 GLY 4 HA1 GLY 4 -17.680 0.582 -10.189 31 H SER 5 HN SER 5 -18.675 2.731 -8.810 32 HA SER 5 HA SER 5 -18.621 4.776 -10.884 33 HB2 SER 5 HB2 SER 5 -21.025 4.429 -10.433 34 HB3 SER 5 HB1 SER 5 -20.746 4.710 -8.721 35 HG SER 5 HG SER 5 -21.221 6.467 -10.651 36 H GLU 6 HN GLU 6 -17.851 6.770 -10.144 37 HA GLU 6 HA GLU 6 -16.414 6.572 -7.655 38 HB2 GLU 6 HB2 GLU 6 -16.339 8.605 -9.869 39 HB3 GLU 6 HB1 GLU 6 -15.401 8.741 -8.391 40 HG2 GLU 6 HG2 GLU 6 -14.308 6.604 -8.902 41 HG3 GLU 6 HG1 GLU 6 -15.222 6.520 -10.408 42 H SER 7 HN SER 7 -19.427 7.134 -8.232 43 HA SER 7 HA SER 7 -19.869 9.592 -6.783 44 HB2 SER 7 HB2 SER 7 -21.795 7.317 -7.332 45 HB3 SER 7 HB1 SER 7 -22.230 8.958 -6.848 46 HG SER 7 HG SER 7 -21.483 7.964 -9.310 47 H GLU 8 HN GLU 8 -18.721 6.748 -5.969 48 HA GLU 8 HA GLU 8 -19.754 6.600 -3.258 49 HB2 GLU 8 HB2 GLU 8 -18.063 4.684 -4.901 50 HB3 GLU 8 HB1 GLU 8 -18.614 4.396 -3.260 51 HG2 GLU 8 HG2 GLU 8 -20.493 4.814 -5.569 52 HG3 GLU 8 HG1 GLU 8 -19.892 3.230 -5.084 53 H THR 9 HN THR 9 -18.579 8.111 -2.243 54 HA THR 9 HA THR 9 -16.036 9.050 -2.764 55 HB THR 9 HB THR 9 -15.910 9.682 -0.309 56 HG1 THR 9 HG1 THR 9 -18.265 9.389 0.545 57 HG21 THR 9 HG21 THR 9 -16.837 11.217 -1.945 58 HG22 THR 9 HG22 THR 9 -17.779 11.290 -0.456 59 HG23 THR 9 HG23 THR 9 -18.403 10.408 -1.851 60 H GLY 10 HN GLY 10 -16.912 6.409 -0.583 61 HA2 GLY 10 HA2 GLY 10 -15.708 4.500 -0.080 62 HA3 GLY 10 HA1 GLY 10 -14.433 5.069 -1.143 63 H ASN 11 HN ASN 11 -13.859 7.525 0.080 64 HA ASN 11 HA ASN 11 -12.064 6.747 2.101 65 HB2 ASN 11 HB2 ASN 11 -11.722 8.738 0.678 66 HB3 ASN 11 HB1 ASN 11 -13.082 9.528 1.469 67 HD21 ASN 11 HD21 ASN 11 -9.769 8.563 1.744 68 HD22 ASN 11 HD22 ASN 11 -9.414 9.441 3.190 69 H ALA 12 HN ALA 12 -15.245 8.221 2.247 70 HA ALA 12 HA ALA 12 -15.217 8.363 5.125 71 HB1 ALA 12 HB1 ALA 12 -17.480 8.776 3.163 72 HB2 ALA 12 HB2 ALA 12 -16.444 10.039 3.824 73 HB3 ALA 12 HB3 ALA 12 -17.527 9.143 4.888 74 H VAL 13 HN VAL 13 -16.342 6.997 6.511 75 HA VAL 13 HA VAL 13 -17.400 4.546 5.264 76 HB VAL 13 HB VAL 13 -16.729 3.300 7.294 77 HG11 VAL 13 HG11 VAL 13 -14.335 3.196 6.819 78 HG12 VAL 13 HG12 VAL 13 -14.452 4.703 5.910 79 HG13 VAL 13 HG13 VAL 13 -15.292 3.260 5.340 80 HG21 VAL 13 HG21 VAL 13 -15.170 4.273 8.887 81 HG22 VAL 13 HG22 VAL 13 -16.680 5.184 8.862 82 HG23 VAL 13 HG23 VAL 13 -15.253 5.820 8.044 83 H VAL 14 HN VAL 14 -19.052 3.467 6.411 84 HA VAL 14 HA VAL 14 -20.664 5.285 8.060 85 HB VAL 14 HB VAL 14 -21.589 2.896 6.435 86 HG11 VAL 14 HG11 VAL 14 -23.180 5.015 7.875 87 HG12 VAL 14 HG12 VAL 14 -22.982 3.342 8.392 88 HG13 VAL 14 HG13 VAL 14 -23.844 3.707 6.897 89 HG21 VAL 14 HG21 VAL 14 -21.907 5.840 5.842 90 HG22 VAL 14 HG22 VAL 14 -22.582 4.512 4.895 91 HG23 VAL 14 HG23 VAL 14 -20.834 4.728 4.993 92 H VAL 15 HN VAL 15 -20.656 4.779 10.125 93 HA VAL 15 HA VAL 15 -20.157 1.985 10.894 94 HB VAL 15 HB VAL 15 -19.693 4.506 12.516 95 HG11 VAL 15 HG11 VAL 15 -18.606 3.012 14.142 96 HG12 VAL 15 HG12 VAL 15 -19.102 1.618 13.180 97 HG13 VAL 15 HG13 VAL 15 -20.319 2.641 13.942 98 HG21 VAL 15 HG21 VAL 15 -17.718 2.601 11.254 99 HG22 VAL 15 HG22 VAL 15 -17.314 3.974 12.284 100 HG23 VAL 15 HG23 VAL 15 -18.066 4.243 10.713 101 H PHE 16 HN PHE 16 -21.695 0.933 11.908 102 HA PHE 16 HA PHE 16 -23.821 2.387 13.261 103 HB2 PHE 16 HB2 PHE 16 -25.557 1.032 12.084 104 HB3 PHE 16 HB1 PHE 16 -24.713 2.162 11.034 105 HD1 PHE 16 HD1 PHE 16 -25.194 -1.376 11.879 106 HD2 PHE 16 HD2 PHE 16 -23.290 1.383 9.257 107 HE1 PHE 16 HE1 PHE 16 -24.655 -3.215 10.337 108 HE2 PHE 16 HE2 PHE 16 -22.745 -0.451 7.712 109 HZ PHE 16 HZ PHE 16 -23.429 -2.750 8.252 110 H GLY 17 HN GLY 17 -25.322 0.813 14.389 111 HA2 GLY 17 HA2 GLY 17 -25.672 -1.312 15.406 112 HA3 GLY 17 HA1 GLY 17 -23.995 -1.718 15.071 113 H TYR 18 HN TYR 18 -24.173 1.386 16.265 114 HA TYR 18 HA TYR 18 -23.482 0.424 18.948 115 HB2 TYR 18 HB2 TYR 18 -22.301 2.560 19.250 116 HB3 TYR 18 HB1 TYR 18 -21.659 1.670 17.885 117 HD1 TYR 18 HD2 TYR 18 -22.203 2.459 15.557 118 HD2 TYR 18 HD1 TYR 18 -23.321 4.694 18.999 119 HE1 TYR 18 HE2 TYR 18 -22.588 4.435 14.143 120 HE2 TYR 18 HE1 TYR 18 -23.712 6.674 17.585 121 HH TYR 18 HH TYR 18 -23.888 6.517 14.213 122 H ARG 19 HN ARG 19 -24.161 1.695 20.746 123 HA ARG 19 HA ARG 19 -26.805 2.907 20.321 124 HB2 ARG 19 HB2 ARG 19 -26.709 0.854 21.701 125 HB3 ARG 19 HB1 ARG 19 -25.595 1.653 22.797 126 HG2 ARG 19 HG2 ARG 19 -27.342 3.287 23.344 127 HG3 ARG 19 HG1 ARG 19 -28.458 2.426 22.285 128 HD2 ARG 19 HD2 ARG 19 -27.075 1.290 24.713 129 HD3 ARG 19 HD1 ARG 19 -28.764 1.772 24.623 130 HE ARG 19 HE ARG 19 -27.558 -0.498 23.190 131 HH11 ARG 19 HH11 ARG 19 -30.397 1.134 24.459 132 HH12 ARG 19 HH12 ARG 19 -31.446 -0.209 24.191 133 HH21 ARG 19 HH21 ARG 19 -28.952 -2.278 22.824 134 HH22 ARG 19 HH22 ARG 19 -30.620 -2.163 23.263 135 H GLU 20 HN GLU 20 -27.287 4.898 21.404 136 HA GLU 20 HA GLU 20 -25.010 6.587 21.806 137 HB2 GLU 20 HB2 GLU 20 -27.164 7.412 20.834 138 HB3 GLU 20 HB1 GLU 20 -27.913 7.202 22.408 139 HG2 GLU 20 HG2 GLU 20 -26.290 8.820 23.348 140 HG3 GLU 20 HG1 GLU 20 -25.668 9.088 21.722 141 H ALA 21 HN ALA 21 -24.240 5.033 23.464 142 HA ALA 21 HA ALA 21 -24.708 6.172 26.097 143 HB1 ALA 21 HB1 ALA 21 -25.026 3.999 27.179 144 HB2 ALA 21 HB2 ALA 21 -24.998 3.202 25.605 145 HB3 ALA 21 HB3 ALA 21 -26.306 4.311 26.009 146 H ILE 22 HN ILE 22 -22.953 3.985 24.008 147 HA ILE 22 HA ILE 22 -20.654 3.793 25.743 148 HB ILE 22 HB ILE 22 -19.630 2.657 23.667 149 HG12 ILE 22 HG12 ILE 22 -21.411 1.667 22.131 150 HG13 ILE 22 HG11 ILE 22 -22.512 2.884 22.743 151 HG21 ILE 22 HG21 ILE 22 -22.049 1.461 24.980 152 HG22 ILE 22 HG22 ILE 22 -20.385 1.408 25.577 153 HG23 ILE 22 HG23 ILE 22 -20.821 0.573 24.081 154 HD11 ILE 22 HD11 ILE 22 -20.879 4.608 21.934 155 HD12 ILE 22 HD12 ILE 22 -21.667 3.659 20.680 156 HD13 ILE 22 HD13 ILE 22 -20.004 3.295 21.146 157 H THR 23 HN THR 23 -21.428 6.442 24.925 158 HA THR 23 HA THR 23 -20.242 7.559 22.752 159 HB THR 23 HB THR 23 -20.416 8.840 25.468 160 HG1 THR 23 HG1 THR 23 -22.435 9.611 24.598 161 HG21 THR 23 HG21 THR 23 -20.365 10.929 24.278 162 HG22 THR 23 HG22 THR 23 -20.398 10.095 22.726 163 HG23 THR 23 HG23 THR 23 -18.974 9.971 23.759 164 H LYS 24 HN LYS 24 -18.695 8.053 25.926 165 HA LYS 24 HA LYS 24 -16.243 8.669 24.606 166 HB2 LYS 24 HB2 LYS 24 -15.502 8.407 27.229 167 HB3 LYS 24 HB1 LYS 24 -16.075 9.882 26.481 168 HG2 LYS 24 HG2 LYS 24 -18.039 7.993 27.703 169 HG3 LYS 24 HG1 LYS 24 -17.081 9.051 28.735 170 HD2 LYS 24 HD2 LYS 24 -17.914 11.012 27.449 171 HD3 LYS 24 HD1 LYS 24 -18.923 9.933 26.491 172 HE2 LYS 24 HE2 LYS 24 -20.161 9.251 28.446 173 HE3 LYS 24 HE1 LYS 24 -19.077 10.161 29.491 174 HZ1 LYS 24 HZ1 LYS 24 -19.881 12.194 28.576 175 HZ2 LYS 24 HZ2 LYS 24 -21.217 11.281 29.056 176 HZ3 LYS 24 HZ3 LYS 24 -20.818 11.394 27.413 177 H GLN 25 HN GLN 25 -17.664 5.824 25.713 178 HA GLN 25 HA GLN 25 -15.409 4.302 26.397 179 HB2 GLN 25 HB2 GLN 25 -18.150 3.560 25.395 180 HB3 GLN 25 HB1 GLN 25 -16.935 2.347 25.765 181 HG2 GLN 25 HG2 GLN 25 -18.423 2.586 27.635 182 HG3 GLN 25 HG1 GLN 25 -16.828 3.184 28.073 183 HE21 GLN 25 HE21 GLN 25 -17.585 4.452 29.728 184 HE22 GLN 25 HE22 GLN 25 -18.504 5.896 29.470 185 H ILE 26 HN ILE 26 -17.148 4.579 23.272 186 HA ILE 26 HA ILE 26 -14.986 3.124 21.989 187 HB ILE 26 HB ILE 26 -17.543 2.747 21.594 188 HG12 ILE 26 HG12 ILE 26 -15.708 3.013 19.219 189 HG13 ILE 26 HG11 ILE 26 -15.645 1.719 20.416 190 HG21 ILE 26 HG21 ILE 26 -17.028 5.051 19.713 191 HG22 ILE 26 HG22 ILE 26 -18.112 5.077 21.104 192 HG23 ILE 26 HG23 ILE 26 -18.469 4.034 19.726 193 HD11 ILE 26 HD11 ILE 26 -16.827 1.033 18.380 194 HD12 ILE 26 HD12 ILE 26 -17.992 2.334 18.628 195 HD13 ILE 26 HD13 ILE 26 -17.886 1.012 19.790 196 H LEU 27 HN LEU 27 -15.955 6.296 22.599 197 HA LEU 27 HA LEU 27 -15.250 7.688 20.269 198 HB2 LEU 27 HB2 LEU 27 -16.474 8.482 22.390 199 HB3 LEU 27 HB1 LEU 27 -14.889 8.775 23.058 200 HG LEU 27 HG LEU 27 -14.518 10.276 20.999 201 HD11 LEU 27 HD11 LEU 27 -17.526 10.048 20.946 202 HD12 LEU 27 HD12 LEU 27 -16.418 9.497 19.692 203 HD13 LEU 27 HD13 LEU 27 -16.564 11.219 20.046 204 HD21 LEU 27 HD21 LEU 27 -16.543 11.043 23.099 205 HD22 LEU 27 HD22 LEU 27 -15.601 12.160 22.110 206 HD23 LEU 27 HD23 LEU 27 -14.788 11.118 23.275 207 H ALA 28 HN ALA 28 -13.341 6.731 23.076 208 HA ALA 28 HA ALA 28 -11.009 8.168 22.379 209 HB1 ALA 28 HB1 ALA 28 -9.902 6.829 24.086 210 HB2 ALA 28 HB2 ALA 28 -11.281 5.730 24.129 211 HB3 ALA 28 HB3 ALA 28 -11.470 7.405 24.651 212 H TYR 29 HN TYR 29 -12.336 5.383 20.968 213 HA TYR 29 HA TYR 29 -9.727 4.350 20.160 214 HB2 TYR 29 HB2 TYR 29 -11.567 2.804 20.951 215 HB3 TYR 29 HB1 TYR 29 -12.436 3.200 19.475 216 HD1 TYR 29 HD2 TYR 29 -11.558 2.446 17.278 217 HD2 TYR 29 HD1 TYR 29 -9.686 1.311 20.928 218 HE1 TYR 29 HE2 TYR 29 -10.352 0.660 16.099 219 HE2 TYR 29 HE1 TYR 29 -8.478 -0.482 19.755 220 HH TYR 29 HH TYR 29 -8.222 -0.653 16.424 221 H PHE 30 HN PHE 30 -12.798 5.089 18.463 222 HA PHE 30 HA PHE 30 -11.352 5.310 15.939 223 HB2 PHE 30 HB2 PHE 30 -14.305 5.427 16.550 224 HB3 PHE 30 HB1 PHE 30 -13.617 5.538 14.940 225 HD1 PHE 30 HD2 PHE 30 -12.582 3.580 13.893 226 HD2 PHE 30 HD1 PHE 30 -14.462 3.352 17.701 227 HE1 PHE 30 HE2 PHE 30 -12.679 1.131 13.693 228 HE2 PHE 30 HE1 PHE 30 -14.558 0.903 17.510 229 HZ PHE 30 HZ PHE 30 -13.672 -0.211 15.507 230 H ALA 31 HN ALA 31 -13.060 7.431 18.171 231 HA ALA 31 HA ALA 31 -13.576 9.500 16.320 232 HB1 ALA 31 HB1 ALA 31 -13.407 9.799 19.291 233 HB2 ALA 31 HB2 ALA 31 -14.818 9.197 18.419 234 HB3 ALA 31 HB3 ALA 31 -14.253 10.849 18.154 235 H GLN 32 HN GLN 32 -10.671 8.600 17.601 236 HA GLN 32 HA GLN 32 -9.449 11.069 18.112 237 HB2 GLN 32 HB2 GLN 32 -8.220 8.506 17.099 238 HB3 GLN 32 HB1 GLN 32 -7.326 9.869 17.759 239 HG2 GLN 32 HG2 GLN 32 -9.350 8.212 19.238 240 HG3 GLN 32 HG1 GLN 32 -7.598 8.117 19.409 241 HE21 GLN 32 HE21 GLN 32 -6.519 9.723 20.484 242 HE22 GLN 32 HE22 GLN 32 -7.316 10.896 21.468 243 H PHE 33 HN PHE 33 -10.279 9.482 15.154 244 HA PHE 33 HA PHE 33 -9.125 11.745 13.682 245 HB2 PHE 33 HB2 PHE 33 -9.081 8.833 12.886 246 HB3 PHE 33 HB1 PHE 33 -8.750 10.146 11.756 247 HD1 PHE 33 HD2 PHE 33 -6.728 11.526 12.042 248 HD2 PHE 33 HD1 PHE 33 -7.479 8.126 14.496 249 HE1 PHE 33 HE2 PHE 33 -4.369 11.503 12.731 250 HE2 PHE 33 HE1 PHE 33 -5.119 8.104 15.188 251 HZ PHE 33 HZ PHE 33 -3.562 9.793 14.304 252 H GLY 34 HN GLY 34 -11.909 10.862 14.735 253 HA2 GLY 34 HA2 GLY 34 -13.484 12.119 12.834 254 HA3 GLY 34 HA1 GLY 34 -13.522 10.413 12.422 255 H GLU 35 HN GLU 35 -15.309 12.659 13.859 256 HA GLU 35 HA GLU 35 -15.986 11.696 16.403 257 HB2 GLU 35 HB2 GLU 35 -17.643 13.211 14.402 258 HB3 GLU 35 HB1 GLU 35 -18.153 12.897 16.050 259 HG2 GLU 35 HG2 GLU 35 -16.246 14.176 16.874 260 HG3 GLU 35 HG1 GLU 35 -15.741 14.484 15.210 261 H ILE 36 HN ILE 36 -17.484 10.284 17.165 262 HA ILE 36 HA ILE 36 -18.766 8.528 15.187 263 HB ILE 36 HB ILE 36 -18.099 7.885 18.070 264 HG12 ILE 36 HG12 ILE 36 -16.065 8.093 16.690 265 HG13 ILE 36 HG11 ILE 36 -16.342 6.426 17.177 266 HG21 ILE 36 HG21 ILE 36 -18.689 5.586 17.484 267 HG22 ILE 36 HG22 ILE 36 -19.084 6.096 15.844 268 HG23 ILE 36 HG23 ILE 36 -20.055 6.668 17.200 269 HD11 ILE 36 HD11 ILE 36 -15.599 6.607 14.862 270 HD12 ILE 36 HD12 ILE 36 -17.011 7.591 14.484 271 HD13 ILE 36 HD13 ILE 36 -17.213 5.909 14.977 272 H LEU 37 HN LEU 37 -19.291 9.678 18.532 273 HA LEU 37 HA LEU 37 -22.172 9.593 18.005 274 HB2 LEU 37 HB2 LEU 37 -20.703 9.534 20.636 275 HB3 LEU 37 HB1 LEU 37 -22.438 9.683 20.497 276 HG LEU 37 HG LEU 37 -22.190 7.453 19.110 277 HD11 LEU 37 HD11 LEU 37 -20.452 6.006 20.055 278 HD12 LEU 37 HD12 LEU 37 -19.771 7.402 20.894 279 HD13 LEU 37 HD13 LEU 37 -19.793 7.357 19.136 280 HD21 LEU 37 HD21 LEU 37 -23.519 7.715 21.123 281 HD22 LEU 37 HD22 LEU 37 -22.076 7.585 22.124 282 HD23 LEU 37 HD23 LEU 37 -22.619 6.201 21.173 283 H GLU 38 HN GLU 38 -23.446 11.196 19.346 284 HA GLU 38 HA GLU 38 -22.575 13.823 18.547 285 HB2 GLU 38 HB2 GLU 38 -25.115 12.865 19.866 286 HB3 GLU 38 HB1 GLU 38 -24.846 14.496 19.268 287 HG2 GLU 38 HG2 GLU 38 -24.600 13.660 17.014 288 HG3 GLU 38 HG1 GLU 38 -24.789 12.005 17.587 289 H ASP 39 HN ASP 39 -22.674 11.996 21.473 290 HA ASP 39 HA ASP 39 -22.525 14.322 23.189 291 HB2 ASP 39 HB2 ASP 39 -23.671 12.352 24.038 292 HB3 ASP 39 HB1 ASP 39 -22.228 11.376 23.813 293 H LEU 40 HN LEU 40 -20.707 14.990 24.375 294 HA LEU 40 HA LEU 40 -18.172 13.786 24.204 295 HB2 LEU 40 HB2 LEU 40 -18.581 14.703 21.813 296 HB3 LEU 40 HB1 LEU 40 -18.394 16.288 22.528 297 HG LEU 40 HG LEU 40 -16.271 14.131 22.520 298 HD11 LEU 40 HD11 LEU 40 -15.142 15.525 20.861 299 HD12 LEU 40 HD12 LEU 40 -16.523 16.619 20.845 300 HD13 LEU 40 HD13 LEU 40 -16.708 14.957 20.283 301 HD21 LEU 40 HD21 LEU 40 -16.059 15.653 24.419 302 HD22 LEU 40 HD22 LEU 40 -16.099 17.038 23.324 303 HD23 LEU 40 HD23 LEU 40 -14.755 15.896 23.257 304 H GLU 41 HN GLU 41 -17.657 14.324 26.234 305 HA GLU 41 HA GLU 41 -17.685 17.176 26.918 306 HB2 GLU 41 HB2 GLU 41 -19.514 16.060 28.113 307 HB3 GLU 41 HB1 GLU 41 -18.374 14.911 28.794 308 HG2 GLU 41 HG2 GLU 41 -18.944 16.600 30.422 309 HG3 GLU 41 HG1 GLU 41 -17.244 16.740 29.965 310 H SER 42 HN SER 42 -16.486 14.234 28.550 311 HA SER 42 HA SER 42 -13.807 15.422 28.463 312 HB2 SER 42 HB2 SER 42 -13.499 14.119 30.681 313 HB3 SER 42 HB1 SER 42 -14.420 15.624 30.721 314 HG SER 42 HG SER 42 -15.377 12.958 30.778 315 H GLU 43 HN GLU 43 -12.687 14.287 27.046 316 HA GLU 43 HA GLU 43 -12.810 11.363 27.227 317 HB2 GLU 43 HB2 GLU 43 -12.057 11.856 24.613 318 HB3 GLU 43 HB1 GLU 43 -13.645 11.338 25.150 319 HG2 GLU 43 HG2 GLU 43 -13.997 13.182 23.721 320 HG3 GLU 43 HG1 GLU 43 -14.253 13.778 25.357 321 H LEU 44 HN LEU 44 -10.802 13.835 25.609 322 HA LEU 44 HA LEU 44 -8.435 12.268 26.326 323 HB2 LEU 44 HB2 LEU 44 -8.657 14.630 24.477 324 HB3 LEU 44 HB1 LEU 44 -7.275 13.586 24.681 325 HG LEU 44 HG LEU 44 -9.909 12.820 23.438 326 HD11 LEU 44 HD11 LEU 44 -8.555 14.310 22.067 327 HD12 LEU 44 HD12 LEU 44 -8.642 12.688 21.380 328 HD13 LEU 44 HD13 LEU 44 -7.183 13.209 22.224 329 HD21 LEU 44 HD21 LEU 44 -8.900 10.920 24.595 330 HD22 LEU 44 HD22 LEU 44 -7.378 11.217 23.744 331 HD23 LEU 44 HD23 LEU 44 -8.817 10.741 22.840 332 H GLY 45 HN GLY 45 -9.648 15.594 26.284 333 HA2 GLY 45 HA2 GLY 45 -9.337 17.136 28.089 334 HA3 GLY 45 HA1 GLY 45 -7.897 16.240 28.562 335 H ASP 46 HN ASP 46 -7.311 16.111 25.544 336 HA ASP 46 HA ASP 46 -6.757 18.788 24.728 337 HB2 ASP 46 HB2 ASP 46 -4.321 18.663 24.716 338 HB3 ASP 46 HB1 ASP 46 -4.912 18.467 26.356 339 H THR 47 HN THR 47 -5.102 18.593 22.745 340 HA THR 47 HA THR 47 -4.659 17.813 20.677 341 HB THR 47 HB THR 47 -5.643 15.094 21.615 342 HG1 THR 47 HG1 THR 47 -3.896 15.995 22.904 343 HG21 THR 47 HG21 THR 47 -5.405 15.369 19.176 344 HG22 THR 47 HG22 THR 47 -4.215 14.237 19.831 345 HG23 THR 47 HG23 THR 47 -3.736 15.886 19.409 346 H GLU 48 HN GLU 48 -7.269 18.836 21.527 347 HA GLU 48 HA GLU 48 -9.342 17.647 19.977 348 HB2 GLU 48 HB2 GLU 48 -9.698 19.211 21.854 349 HB3 GLU 48 HB1 GLU 48 -8.925 20.477 20.913 350 HG2 GLU 48 HG2 GLU 48 -10.745 20.329 19.262 351 HG3 GLU 48 HG1 GLU 48 -11.523 19.099 20.263 352 H THR 49 HN THR 49 -6.713 19.813 19.305 353 HA THR 49 HA THR 49 -7.614 20.951 16.899 354 HB THR 49 HB THR 49 -5.121 21.314 16.488 355 HG1 THR 49 HG1 THR 49 -4.109 20.943 18.799 356 HG21 THR 49 HG21 THR 49 -6.299 22.219 19.121 357 HG22 THR 49 HG22 THR 49 -6.531 23.004 17.558 358 HG23 THR 49 HG23 THR 49 -4.932 22.969 18.297 359 H MET 50 HN MET 50 -6.070 17.905 17.636 360 HA MET 50 HA MET 50 -6.121 17.235 14.781 361 HB2 MET 50 HB2 MET 50 -3.917 16.943 15.847 362 HB3 MET 50 HB1 MET 50 -4.630 15.858 17.030 363 HG2 MET 50 HG2 MET 50 -5.162 14.258 15.287 364 HG3 MET 50 HG1 MET 50 -4.533 15.356 14.061 365 HE1 MET 50 HE1 MET 50 -3.069 14.510 17.650 366 HE2 MET 50 HE2 MET 50 -1.990 13.178 17.235 367 HE3 MET 50 HE3 MET 50 -3.733 12.997 17.038 368 H ARG 51 HN ARG 51 -8.289 16.837 14.693 369 HA ARG 51 HA ARG 51 -9.168 14.318 15.844 370 HB2 ARG 51 HB2 ARG 51 -10.231 16.977 16.537 371 HB3 ARG 51 HB1 ARG 51 -11.443 15.764 16.150 372 HG2 ARG 51 HG2 ARG 51 -9.281 15.115 18.142 373 HG3 ARG 51 HG1 ARG 51 -10.694 16.071 18.613 374 HD2 ARG 51 HD2 ARG 51 -12.174 14.333 17.956 375 HD3 ARG 51 HD1 ARG 51 -10.858 13.459 17.188 376 HE ARG 51 HE ARG 51 -10.325 12.548 19.190 377 HH11 ARG 51 HH11 ARG 51 -12.297 15.390 19.838 378 HH12 ARG 51 HH12 ARG 51 -12.514 14.979 21.513 379 HH21 ARG 51 HH21 ARG 51 -10.718 12.001 21.375 380 HH22 ARG 51 HH22 ARG 51 -11.645 13.095 22.362 381 H THR 52 HN THR 52 -11.071 16.755 14.347 382 HA THR 52 HA THR 52 -11.356 15.037 11.967 383 HB THR 52 HB THR 52 -13.599 16.367 11.746 384 HG1 THR 52 HG1 THR 52 -14.412 17.177 13.612 385 HG21 THR 52 HG21 THR 52 -14.768 14.676 13.087 386 HG22 THR 52 HG22 THR 52 -13.238 14.233 13.847 387 HG23 THR 52 HG23 THR 52 -13.477 13.968 12.118 388 HA PRO 53 HA PRO 53 -9.735 18.465 9.609 389 HB2 PRO 53 HB2 PRO 53 -11.520 17.549 7.432 390 HB3 PRO 53 HB1 PRO 53 -9.760 17.701 7.442 391 HG2 PRO 53 HG2 PRO 53 -10.962 15.303 7.505 392 HG3 PRO 53 HG1 PRO 53 -9.449 15.610 8.370 393 HD2 PRO 53 HD2 PRO 53 -12.236 15.424 9.429 394 HD3 PRO 53 HD1 PRO 53 -10.710 14.862 10.143 395 H GLY 54 HN GLY 54 -10.439 20.472 9.959 396 HA2 GLY 54 HA2 GLY 54 -11.794 22.336 9.963 397 HA3 GLY 54 HA1 GLY 54 -12.870 21.474 8.870 398 H TYR 55 HN TYR 55 -11.866 21.227 12.295 399 HA TYR 55 HA TYR 55 -14.382 20.177 13.012 400 HB2 TYR 55 HB2 TYR 55 -13.487 20.226 15.323 401 HB3 TYR 55 HB1 TYR 55 -12.460 19.359 14.190 402 HD1 TYR 55 HD1 TYR 55 -12.833 22.429 16.136 403 HD2 TYR 55 HD2 TYR 55 -10.238 20.099 13.749 404 HE1 TYR 55 HE1 TYR 55 -10.940 23.819 16.881 405 HE2 TYR 55 HE2 TYR 55 -8.316 21.473 14.464 406 HH TYR 55 HH TYR 55 -8.519 23.662 17.078 407 H PHE 56 HN PHE 56 -16.010 21.147 13.792 408 HA PHE 56 HA PHE 56 -16.023 23.645 15.140 409 HB2 PHE 56 HB2 PHE 56 -15.729 24.392 12.792 410 HB3 PHE 56 HB1 PHE 56 -17.230 23.557 12.397 411 HD1 PHE 56 HD1 PHE 56 -15.785 26.244 14.449 412 HD2 PHE 56 HD2 PHE 56 -19.312 24.666 12.685 413 HE1 PHE 56 HE1 PHE 56 -17.002 28.301 15.058 414 HE2 PHE 56 HE2 PHE 56 -20.542 26.709 13.291 415 HZ PHE 56 HZ PHE 56 -19.386 28.530 14.479 416 H PHE 57 HN PHE 57 -18.342 22.140 12.881 417 HA PHE 57 HA PHE 57 -20.497 21.441 13.116 418 HB2 PHE 57 HB2 PHE 57 -20.622 19.638 15.052 419 HB3 PHE 57 HB1 PHE 57 -19.782 19.305 13.552 420 HD1 PHE 57 HD2 PHE 57 -17.348 19.553 13.497 421 HD2 PHE 57 HD1 PHE 57 -19.575 19.602 17.091 422 HE1 PHE 57 HE2 PHE 57 -15.343 19.095 14.713 423 HE2 PHE 57 HE1 PHE 57 -17.549 19.110 18.356 424 HZ PHE 57 HZ PHE 57 -15.392 18.848 17.183 425 H GLN 58 HN GLN 58 -19.969 23.821 14.654 426 HA GLN 58 HA GLN 58 -21.155 25.296 15.897 427 HB2 GLN 58 HB2 GLN 58 -23.191 23.066 16.014 428 HB3 GLN 58 HB1 GLN 58 -23.450 24.678 16.663 429 HG2 GLN 58 HG2 GLN 58 -23.247 25.644 14.462 430 HG3 GLN 58 HG1 GLN 58 -22.848 24.074 13.777 431 HE21 GLN 58 HE21 GLN 58 -25.360 26.122 14.947 432 HE22 GLN 58 HE22 GLN 58 -26.687 25.116 14.476 433 H GLN 59 HN GLN 59 -21.104 22.043 17.278 434 HA GLN 59 HA GLN 59 -20.628 21.224 19.326 435 HB2 GLN 59 HB2 GLN 59 -18.567 22.671 18.935 436 HB3 GLN 59 HB1 GLN 59 -19.347 23.894 19.924 437 HG2 GLN 59 HG2 GLN 59 -19.388 22.350 21.806 438 HG3 GLN 59 HG1 GLN 59 -18.614 21.119 20.809 439 HE21 GLN 59 HE21 GLN 59 -16.817 20.965 22.125 440 HE22 GLN 59 HE22 GLN 59 -15.620 22.210 22.209 441 H ALA 60 HN ALA 60 -23.067 22.594 18.807 442 HA ALA 60 HA ALA 60 -23.878 24.216 20.977 443 HB1 ALA 60 HB1 ALA 60 -26.137 23.849 20.118 444 HB2 ALA 60 HB2 ALA 60 -25.536 22.561 19.073 445 HB3 ALA 60 HB3 ALA 60 -25.017 24.226 18.807 446 HA PRO 61 HA PRO 61 -24.609 21.294 24.231 447 HB2 PRO 61 HB2 PRO 61 -27.215 22.677 24.626 448 HB3 PRO 61 HB1 PRO 61 -25.917 22.380 25.787 449 HG2 PRO 61 HG2 PRO 61 -26.298 24.813 24.784 450 HG3 PRO 61 HG1 PRO 61 -24.661 24.180 25.042 451 HD2 PRO 61 HD2 PRO 61 -26.207 24.446 22.500 452 HD3 PRO 61 HD1 PRO 61 -24.479 24.716 22.807 453 H ASN 62 HN ASN 62 -27.114 21.960 21.878 454 HA ASN 62 HA ASN 62 -28.181 19.254 22.264 455 HB2 ASN 62 HB2 ASN 62 -30.327 20.122 21.319 456 HB3 ASN 62 HB1 ASN 62 -29.891 20.830 22.863 457 HD21 ASN 62 HD21 ASN 62 -31.330 22.527 22.369 458 HD22 ASN 62 HD22 ASN 62 -30.875 23.800 21.291 459 H ARG 63 HN ARG 63 -25.930 19.848 20.571 460 HA ARG 63 HA ARG 63 -26.688 20.073 17.866 461 HB2 ARG 63 HB2 ARG 63 -24.536 18.824 17.381 462 HB3 ARG 63 HB1 ARG 63 -24.365 20.354 18.176 463 HG2 ARG 63 HG2 ARG 63 -23.017 19.204 19.574 464 HG3 ARG 63 HG1 ARG 63 -24.519 18.610 20.290 465 HD2 ARG 63 HD2 ARG 63 -23.165 16.709 19.820 466 HD3 ARG 63 HD1 ARG 63 -24.472 16.748 18.624 467 HE ARG 63 HE ARG 63 -22.857 17.677 17.036 468 HH11 ARG 63 HH11 ARG 63 -21.527 15.976 19.827 469 HH12 ARG 63 HH12 ARG 63 -19.967 15.785 19.096 470 HH21 ARG 63 HH21 ARG 63 -20.776 17.447 16.142 471 HH22 ARG 63 HH22 ARG 63 -19.531 16.595 17.002 472 H ARG 64 HN ARG 64 -27.312 18.685 16.371 473 HA ARG 64 HA ARG 64 -27.727 15.917 17.201 474 HB2 ARG 64 HB2 ARG 64 -29.262 17.573 15.207 475 HB3 ARG 64 HB1 ARG 64 -29.589 15.902 15.630 476 HG2 ARG 64 HG2 ARG 64 -29.663 18.120 17.651 477 HG3 ARG 64 HG1 ARG 64 -31.070 17.653 16.695 478 HD2 ARG 64 HD2 ARG 64 -31.219 16.541 18.800 479 HD3 ARG 64 HD1 ARG 64 -30.809 15.337 17.589 480 HE ARG 64 HE ARG 64 -28.373 16.052 18.620 481 HH11 ARG 64 HH11 ARG 64 -31.394 15.027 20.076 482 HH12 ARG 64 HH12 ARG 64 -30.626 14.172 21.368 483 HH21 ARG 64 HH21 ARG 64 -27.369 14.912 20.280 484 HH22 ARG 64 HH22 ARG 64 -28.311 14.104 21.489 485 H ARG 65 HN ARG 65 -25.595 17.610 15.692 486 HA ARG 65 HA ARG 65 -25.084 15.520 13.804 487 HB2 ARG 65 HB2 ARG 65 -24.570 17.046 11.976 488 HB3 ARG 65 HB1 ARG 65 -26.258 17.111 12.461 489 HG2 ARG 65 HG2 ARG 65 -25.827 19.148 13.705 490 HG3 ARG 65 HG1 ARG 65 -24.126 19.081 13.230 491 HD2 ARG 65 HD2 ARG 65 -24.783 19.189 10.898 492 HD3 ARG 65 HD1 ARG 65 -26.475 19.266 11.382 493 HE ARG 65 HE ARG 65 -25.242 21.337 12.703 494 HH11 ARG 65 HH11 ARG 65 -25.688 20.430 9.335 495 HH12 ARG 65 HH12 ARG 65 -25.690 22.065 8.774 496 HH21 ARG 65 HH21 ARG 65 -25.255 23.472 11.960 497 HH22 ARG 65 HH22 ARG 65 -25.443 23.815 10.272 498 H ILE 66 HN ILE 66 -22.965 15.199 13.200 499 HA ILE 66 HA ILE 66 -21.015 16.529 14.920 500 HB ILE 66 HB ILE 66 -19.548 14.649 14.597 501 HG12 ILE 66 HG12 ILE 66 -21.446 13.786 12.393 502 HG13 ILE 66 HG11 ILE 66 -19.767 14.243 12.260 503 HG21 ILE 66 HG21 ILE 66 -22.353 13.605 14.936 504 HG22 ILE 66 HG22 ILE 66 -21.310 14.249 16.204 505 HG23 ILE 66 HG23 ILE 66 -20.878 12.748 15.387 506 HD11 ILE 66 HD11 ILE 66 -20.749 11.749 13.617 507 HD12 ILE 66 HD12 ILE 66 -19.068 12.254 13.454 508 HD13 ILE 66 HD13 ILE 66 -20.004 11.857 12.020 509 H SER 67 HN SER 67 -18.745 15.918 13.223 510 HA SER 67 HA SER 67 -18.686 18.127 11.555 511 HB2 SER 67 HB2 SER 67 -17.049 15.590 11.343 512 HB3 SER 67 HB1 SER 67 -16.651 17.122 10.576 513 HG SER 67 HG SER 67 -16.977 16.794 13.392 514 H ARG 68 HN ARG 68 -20.138 15.099 11.021 515 HA ARG 68 HA ARG 68 -20.838 15.860 8.298 516 HB2 ARG 68 HB2 ARG 68 -18.987 13.949 8.642 517 HB3 ARG 68 HB1 ARG 68 -20.429 12.963 8.864 518 HG2 ARG 68 HG2 ARG 68 -20.235 12.718 6.632 519 HG3 ARG 68 HG1 ARG 68 -21.116 14.246 6.616 520 HD2 ARG 68 HD2 ARG 68 -18.142 13.820 6.319 521 HD3 ARG 68 HD1 ARG 68 -19.261 14.457 5.118 522 HE ARG 68 HE ARG 68 -19.302 16.120 7.390 523 HH11 ARG 68 HH11 ARG 68 -17.196 15.282 4.703 524 HH12 ARG 68 HH12 ARG 68 -16.331 16.777 4.750 525 HH21 ARG 68 HH21 ARG 68 -18.149 18.086 7.474 526 HH22 ARG 68 HH22 ARG 68 -16.885 18.394 6.333 527 H GLU 69 HN GLU 69 -22.880 14.856 7.616 528 HA GLU 69 HA GLU 69 -24.773 14.823 9.760 529 HB2 GLU 69 HB2 GLU 69 -26.443 14.548 8.020 530 HB3 GLU 69 HB1 GLU 69 -25.291 15.793 7.565 531 HG2 GLU 69 HG2 GLU 69 -24.105 13.978 6.223 532 HG3 GLU 69 HG1 GLU 69 -25.553 13.012 6.483 533 H HIS 70 HN HIS 70 -26.251 13.096 10.269 534 HA HIS 70 HA HIS 70 -25.626 10.422 9.403 535 HB2 HIS 70 HB2 HIS 70 -25.027 9.550 11.594 536 HB3 HIS 70 HB1 HIS 70 -23.883 10.796 11.116 537 HD2 HIS 70 HD2 HIS 70 -26.484 10.047 13.886 538 HE1 HIS 70 HE1 HIS 70 -24.706 13.787 14.764 539 HE2 HIS 70 HE2 HIS 70 -26.344 12.037 15.526 540 H GLY 71 HN GLY 71 -26.880 8.858 11.076 541 HA2 GLY 71 HA2 GLY 71 -29.500 10.085 11.622 542 HA3 GLY 71 HA1 GLY 71 -29.379 8.562 10.750 543 H ARG 72 HN ARG 72 -30.689 7.659 12.459 544 HA ARG 72 HA ARG 72 -29.654 7.574 15.126 545 HB2 ARG 72 HB2 ARG 72 -31.518 6.088 15.626 546 HB3 ARG 72 HB1 ARG 72 -32.074 7.478 14.710 547 HG2 ARG 72 HG2 ARG 72 -32.123 6.098 12.675 548 HG3 ARG 72 HG1 ARG 72 -31.590 4.707 13.621 549 HD2 ARG 72 HD2 ARG 72 -33.612 4.909 15.010 550 HD3 ARG 72 HD1 ARG 72 -34.140 6.264 14.015 551 HE ARG 72 HE ARG 72 -33.615 3.867 12.520 552 HH11 ARG 72 HH11 ARG 72 -36.043 5.614 14.364 553 HH12 ARG 72 HH12 ARG 72 -37.371 4.803 13.613 554 HH21 ARG 72 HH21 ARG 72 -35.366 2.787 11.548 555 HH22 ARG 72 HH22 ARG 72 -36.990 3.187 12.019 556 H THR 73 HN THR 73 -28.302 6.205 15.985 557 HA THR 73 HA THR 73 -26.815 4.572 16.310 558 HB THR 73 HB THR 73 -27.470 2.227 15.813 559 HG1 THR 73 HG1 THR 73 -29.144 3.452 14.058 560 HG21 THR 73 HG21 THR 73 -29.450 2.197 17.257 561 HG22 THR 73 HG22 THR 73 -29.648 3.935 17.020 562 HG23 THR 73 HG23 THR 73 -28.224 3.312 17.858 563 H TRP 74 HN TRP 74 -26.950 5.916 13.429 564 HA TRP 74 HA TRP 74 -24.602 4.433 12.567 565 HB2 TRP 74 HB2 TRP 74 -25.279 4.223 10.258 566 HB3 TRP 74 HB1 TRP 74 -26.507 3.475 11.260 567 HD1 TRP 74 HD1 TRP 74 -28.939 4.563 11.229 568 HE1 TRP 74 HE1 TRP 74 -30.070 6.252 9.656 569 HE3 TRP 74 HE3 TRP 74 -24.789 6.351 8.818 570 HZ2 TRP 74 HZ2 TRP 74 -29.316 8.091 7.655 571 HZ3 TRP 74 HZ3 TRP 74 -25.087 8.076 7.085 572 HH2 TRP 74 HH2 TRP 74 -27.299 8.923 6.518 573 H THR 75 HN THR 75 -23.049 5.661 11.634 574 HA THR 75 HA THR 75 -23.718 8.391 10.886 575 HB THR 75 HB THR 75 -23.003 8.438 13.303 576 HG1 THR 75 HG1 THR 75 -21.177 10.020 12.736 577 HG21 THR 75 HG21 THR 75 -21.324 6.649 13.250 578 HG22 THR 75 HG22 THR 75 -20.611 8.167 13.801 579 HG23 THR 75 HG23 THR 75 -20.331 7.612 12.152 580 H LYS 76 HN LYS 76 -22.324 9.337 9.442 581 HA LYS 76 HA LYS 76 -20.357 7.530 8.229 582 HB2 LYS 76 HB2 LYS 76 -20.646 8.897 6.165 583 HB3 LYS 76 HB1 LYS 76 -22.128 8.088 6.654 584 HG2 LYS 76 HG2 LYS 76 -22.929 10.164 7.651 585 HG3 LYS 76 HG1 LYS 76 -21.430 10.956 7.170 586 HD2 LYS 76 HD2 LYS 76 -23.352 9.679 5.227 587 HD3 LYS 76 HD1 LYS 76 -23.393 11.390 5.660 588 HE2 LYS 76 HE2 LYS 76 -21.005 11.532 4.910 589 HE3 LYS 76 HE1 LYS 76 -21.164 9.888 4.298 590 HZ1 LYS 76 HZ1 LYS 76 -22.754 12.236 3.424 591 HZ2 LYS 76 HZ2 LYS 76 -22.982 10.666 2.868 592 HZ3 LYS 76 HZ3 LYS 76 -21.533 11.476 2.541 593 H LEU 77 HN LEU 77 -18.343 8.060 8.582 594 HA LEU 77 HA LEU 77 -17.720 10.873 9.132 595 HB2 LEU 77 HB2 LEU 77 -16.114 10.236 10.835 596 HB3 LEU 77 HB1 LEU 77 -17.731 9.709 11.250 597 HG LEU 77 HG LEU 77 -15.791 7.799 9.982 598 HD11 LEU 77 HD11 LEU 77 -15.157 7.109 12.262 599 HD12 LEU 77 HD12 LEU 77 -16.000 8.525 12.898 600 HD13 LEU 77 HD13 LEU 77 -14.599 8.727 11.847 601 HD21 LEU 77 HD21 LEU 77 -17.118 6.155 11.208 602 HD22 LEU 77 HD22 LEU 77 -18.147 7.133 10.163 603 HD23 LEU 77 HD23 LEU 77 -18.098 7.446 11.897 604 H THR 78 HN THR 78 -15.732 11.617 8.568 605 HA THR 78 HA THR 78 -14.321 9.994 6.582 606 HB THR 78 HB THR 78 -14.623 12.985 6.843 607 HG1 THR 78 HG1 THR 78 -15.988 11.005 5.519 608 HG21 THR 78 HG21 THR 78 -13.472 13.091 4.649 609 HG22 THR 78 HG22 THR 78 -13.182 11.353 4.733 610 HG23 THR 78 HG23 THR 78 -12.428 12.431 5.907 611 H TYR 79 HN TYR 79 -12.397 9.278 7.284 612 HA TYR 79 HA TYR 79 -11.029 10.566 9.514 613 HB2 TYR 79 HB2 TYR 79 -10.296 8.133 7.853 614 HB3 TYR 79 HB1 TYR 79 -9.391 8.701 9.244 615 HD1 TYR 79 HD2 TYR 79 -10.351 8.498 11.499 616 HD2 TYR 79 HD1 TYR 79 -12.301 6.852 8.108 617 HE1 TYR 79 HE2 TYR 79 -11.695 7.075 12.984 618 HE2 TYR 79 HE1 TYR 79 -13.654 5.418 9.581 619 HH TYR 79 HH TYR 79 -13.587 4.480 11.810 620 H ALA 80 HN ALA 80 -11.022 10.671 6.125 621 HA ALA 80 HA ALA 80 -9.840 11.802 4.579 622 HB1 ALA 80 HB1 ALA 80 -8.279 12.946 6.903 623 HB2 ALA 80 HB2 ALA 80 -9.702 13.666 6.148 624 HB3 ALA 80 HB3 ALA 80 -8.202 13.513 5.234 625 H ASN 81 HN ASN 81 -7.434 10.869 7.045 626 HA ASN 81 HA ASN 81 -5.577 10.036 5.037 627 HB2 ASN 81 HB2 ASN 81 -5.594 9.740 8.027 628 HB3 ASN 81 HB1 ASN 81 -4.313 9.070 7.026 629 HD21 ASN 81 HD21 ASN 81 -4.334 11.234 5.114 630 HD22 ASN 81 HD22 ASN 81 -3.618 12.593 5.901 631 H HIS 82 HN HIS 82 -5.123 8.093 4.279 632 HA HIS 82 HA HIS 82 -7.140 6.118 4.416 633 HB2 HIS 82 HB2 HIS 82 -5.834 4.874 2.837 634 HB3 HIS 82 HB1 HIS 82 -5.694 6.569 2.413 635 HD2 HIS 82 HD2 HIS 82 -3.458 3.572 3.242 636 HE1 HIS 82 HE1 HIS 82 -0.949 6.980 3.118 637 HE2 HIS 82 HE2 HIS 82 -1.057 4.479 2.968 638 H SER 83 HN SER 83 -4.165 6.613 6.132 639 HA SER 83 HA SER 83 -3.628 4.026 7.030 640 HB2 SER 83 HB2 SER 83 -3.171 6.613 8.527 641 HB3 SER 83 HB1 SER 83 -2.282 5.100 8.723 642 HG SER 83 HG SER 83 -1.076 6.404 7.400 643 H SER 84 HN SER 84 -5.559 6.614 8.540 644 HA SER 84 HA SER 84 -6.425 5.020 10.731 645 HB2 SER 84 HB2 SER 84 -7.674 7.548 9.625 646 HB3 SER 84 HB1 SER 84 -7.868 6.891 11.252 647 HG SER 84 HG SER 84 -6.309 8.417 11.442 648 H TYR 85 HN TYR 85 -7.626 5.783 7.561 649 HA TYR 85 HA TYR 85 -10.262 4.902 7.759 650 HB2 TYR 85 HB2 TYR 85 -9.630 6.202 5.890 651 HB3 TYR 85 HB1 TYR 85 -8.330 5.088 5.476 652 HD1 TYR 85 HD1 TYR 85 -12.002 5.414 5.609 653 HD2 TYR 85 HD2 TYR 85 -8.688 3.319 3.985 654 HE1 TYR 85 HE1 TYR 85 -13.504 4.250 4.049 655 HE2 TYR 85 HE2 TYR 85 -10.168 2.152 2.420 656 HH TYR 85 HH TYR 85 -13.410 3.136 1.936 657 H LEU 86 HN LEU 86 -7.385 3.106 6.599 658 HA LEU 86 HA LEU 86 -8.774 0.776 5.986 659 HB2 LEU 86 HB2 LEU 86 -6.581 1.404 5.090 660 HB3 LEU 86 HB1 LEU 86 -5.871 1.154 6.670 661 HG LEU 86 HG LEU 86 -6.493 -1.177 6.580 662 HD11 LEU 86 HD11 LEU 86 -7.211 -2.159 4.409 663 HD12 LEU 86 HD12 LEU 86 -7.424 -0.524 3.785 664 HD13 LEU 86 HD13 LEU 86 -8.421 -1.094 5.124 665 HD21 LEU 86 HD21 LEU 86 -4.875 -0.201 4.240 666 HD22 LEU 86 HD22 LEU 86 -4.862 -1.853 4.854 667 HD23 LEU 86 HD23 LEU 86 -4.278 -0.531 5.867 668 H ARG 87 HN ARG 87 -7.195 1.898 8.876 669 HA ARG 87 HA ARG 87 -7.175 -0.475 10.372 670 HB2 ARG 87 HB2 ARG 87 -5.928 1.592 10.918 671 HB3 ARG 87 HB1 ARG 87 -7.439 2.385 11.314 672 HG2 ARG 87 HG2 ARG 87 -7.772 0.840 13.175 673 HG3 ARG 87 HG1 ARG 87 -6.263 0.017 12.761 674 HD2 ARG 87 HD2 ARG 87 -6.512 2.929 13.529 675 HD3 ARG 87 HD1 ARG 87 -5.977 1.637 14.601 676 HE ARG 87 HE ARG 87 -4.143 1.312 12.859 677 HH11 ARG 87 HH11 ARG 87 -5.548 4.430 13.645 678 HH12 ARG 87 HH12 ARG 87 -4.160 5.329 13.132 679 HH21 ARG 87 HH21 ARG 87 -2.295 2.511 12.185 680 HH22 ARG 87 HH22 ARG 87 -2.318 4.237 12.301 681 H ALA 88 HN ALA 88 -9.721 1.731 9.569 682 HA ALA 88 HA ALA 88 -11.525 0.905 11.662 683 HB1 ALA 88 HB1 ALA 88 -13.156 2.352 10.523 684 HB2 ALA 88 HB2 ALA 88 -11.998 2.605 9.215 685 HB3 ALA 88 HB3 ALA 88 -11.632 3.180 10.841 686 H LEU 89 HN LEU 89 -10.605 -0.436 8.717 687 HA LEU 89 HA LEU 89 -13.143 -1.478 7.883 688 HB2 LEU 89 HB2 LEU 89 -10.323 -1.841 6.999 689 HB3 LEU 89 HB1 LEU 89 -11.494 -3.046 6.526 690 HG LEU 89 HG LEU 89 -11.045 -1.259 4.822 691 HD11 LEU 89 HD11 LEU 89 -13.867 -1.528 5.823 692 HD12 LEU 89 HD12 LEU 89 -13.037 -2.596 4.689 693 HD13 LEU 89 HD13 LEU 89 -13.398 -0.933 4.231 694 HD21 LEU 89 HD21 LEU 89 -12.574 0.483 6.749 695 HD22 LEU 89 HD22 LEU 89 -12.092 0.921 5.110 696 HD23 LEU 89 HD23 LEU 89 -10.866 0.647 6.347 697 H ARG 90 HN ARG 90 -11.185 -2.348 10.422 698 HA ARG 90 HA ARG 90 -11.378 -5.179 10.272 699 HB2 ARG 90 HB2 ARG 90 -10.742 -5.163 12.647 700 HB3 ARG 90 HB1 ARG 90 -9.698 -4.129 11.685 701 HG2 ARG 90 HG2 ARG 90 -10.902 -2.159 12.482 702 HG3 ARG 90 HG1 ARG 90 -11.978 -3.197 13.420 703 HD2 ARG 90 HD2 ARG 90 -8.996 -3.022 13.762 704 HD3 ARG 90 HD1 ARG 90 -10.178 -2.204 14.781 705 HE ARG 90 HE ARG 90 -11.022 -4.576 15.217 706 HH11 ARG 90 HH11 ARG 90 -7.653 -3.765 14.607 707 HH12 ARG 90 HH12 ARG 90 -7.034 -5.098 15.513 708 HH21 ARG 90 HH21 ARG 90 -10.186 -6.360 16.416 709 HH22 ARG 90 HH22 ARG 90 -8.475 -6.573 16.544 710 H GLU 91 HN GLU 91 -13.150 -6.370 10.435 711 HA GLU 91 HA GLU 91 -15.266 -5.581 12.315 712 HB2 GLU 91 HB2 GLU 91 -17.005 -5.972 10.649 713 HB3 GLU 91 HB1 GLU 91 -15.910 -4.709 10.101 714 HG2 GLU 91 HG2 GLU 91 -14.765 -6.323 8.669 715 HG3 GLU 91 HG1 GLU 91 -15.855 -7.588 9.218 716 H HIS 92 HN HIS 92 -13.148 -7.851 11.512 717 HA HIS 92 HA HIS 92 -14.679 -10.190 11.126 718 HB2 HIS 92 HB2 HIS 92 -12.308 -10.059 10.509 719 HB3 HIS 92 HB1 HIS 92 -11.868 -9.926 12.208 720 HD2 HIS 92 HD2 HIS 92 -13.488 -12.659 9.849 721 HE1 HIS 92 HE1 HIS 92 -11.553 -14.569 13.102 722 HE2 HIS 92 HE2 HIS 92 -12.877 -14.898 10.980 723 H GLY 93 HN GLY 93 -13.257 -8.793 14.060 724 HA2 GLY 93 HA2 GLY 93 -15.160 -10.399 15.601 725 HA3 GLY 93 HA1 GLY 93 -13.453 -10.565 15.975 726 H THR 94 HN THR 94 -14.780 -7.500 15.006 727 HA THR 94 HA THR 94 -14.057 -6.475 17.623 728 HB THR 94 HB THR 94 -14.944 -4.934 15.162 729 HG1 THR 94 HG1 THR 94 -12.880 -6.153 15.043 730 HG21 THR 94 HG21 THR 94 -13.588 -4.014 17.710 731 HG22 THR 94 HG22 THR 94 -15.267 -3.704 17.271 732 HG23 THR 94 HG23 THR 94 -13.961 -2.999 16.316 733 H ILE 95 HN ILE 95 -15.611 -6.997 19.031 734 HA ILE 95 HA ILE 95 -18.353 -6.121 18.460 735 HB ILE 95 HB ILE 95 -17.369 -8.343 20.267 736 HG12 ILE 95 HG12 ILE 95 -19.198 -8.400 17.858 737 HG13 ILE 95 HG11 ILE 95 -17.508 -8.888 17.863 738 HG21 ILE 95 HG21 ILE 95 -19.173 -7.180 21.399 739 HG22 ILE 95 HG22 ILE 95 -19.716 -8.764 20.847 740 HG23 ILE 95 HG23 ILE 95 -20.189 -7.315 19.963 741 HD11 ILE 95 HD11 ILE 95 -18.950 -10.820 17.932 742 HD12 ILE 95 HD12 ILE 95 -19.755 -10.204 19.373 743 HD13 ILE 95 HD13 ILE 95 -18.061 -10.683 19.449 744 H TYR 96 HN TYR 96 -19.168 -4.548 19.673 745 HA TYR 96 HA TYR 96 -17.968 -4.006 22.280 746 HB2 TYR 96 HB2 TYR 96 -16.965 -2.585 20.321 747 HB3 TYR 96 HB1 TYR 96 -18.491 -1.709 20.420 748 HD1 TYR 96 HD1 TYR 96 -15.362 -2.502 22.142 749 HD2 TYR 96 HD2 TYR 96 -18.992 -0.290 22.340 750 HE1 TYR 96 HE1 TYR 96 -14.444 -1.181 23.997 751 HE2 TYR 96 HE2 TYR 96 -18.079 1.040 24.198 752 HH TYR 96 HH TYR 96 -14.859 1.140 24.985 753 H CYS 97 HN CYS 97 -19.402 -3.257 23.755 754 HA CYS 97 HA CYS 97 -21.339 -2.592 24.724 755 HB2 CYS 97 HB2 CYS 97 -21.343 -0.881 22.796 756 HB3 CYS 97 HB1 CYS 97 -22.478 -1.957 21.999 757 HG CYS 97 HG CYS 97 -24.085 -1.788 24.543 758 H GLY 98 HN GLY 98 -20.808 -5.256 23.334 759 HA2 GLY 98 HA2 GLY 98 -21.949 -7.249 23.841 760 HA3 GLY 98 HA1 GLY 98 -23.446 -6.338 23.955 761 H ALA 99 HN ALA 99 -21.993 -5.313 21.179 762 HA ALA 99 HA ALA 99 -22.946 -7.519 19.531 763 HB1 ALA 99 HB1 ALA 99 -24.012 -4.717 19.218 764 HB2 ALA 99 HB2 ALA 99 -24.917 -6.094 19.846 765 HB3 ALA 99 HB3 ALA 99 -24.366 -6.089 18.170 766 H ALA 100 HN ALA 100 -22.175 -7.471 17.382 767 HA ALA 100 HA ALA 100 -19.626 -6.276 17.066 768 HB1 ALA 100 HB1 ALA 100 -20.199 -8.413 16.012 769 HB2 ALA 100 HB2 ALA 100 -19.685 -7.225 14.814 770 HB3 ALA 100 HB3 ALA 100 -21.398 -7.598 15.008 771 H ILE 101 HN ILE 101 -19.035 -4.481 15.979 772 HA ILE 101 HA ILE 101 -21.188 -2.675 15.253 773 HB ILE 101 HB ILE 101 -19.436 -0.943 15.050 774 HG12 ILE 101 HG12 ILE 101 -17.534 -3.076 16.054 775 HG13 ILE 101 HG11 ILE 101 -17.576 -2.472 14.402 776 HG21 ILE 101 HG21 ILE 101 -20.564 -1.189 17.158 777 HG22 ILE 101 HG22 ILE 101 -18.866 -0.821 17.455 778 HG23 ILE 101 HG23 ILE 101 -19.458 -2.473 17.646 779 HD11 ILE 101 HD11 ILE 101 -15.783 -1.427 15.629 780 HD12 ILE 101 HD12 ILE 101 -16.912 -0.886 16.871 781 HD13 ILE 101 HD13 ILE 101 -17.016 -0.226 15.239 782 H GLY 102 HN GLY 102 -21.563 -1.921 13.247 783 HA2 GLY 102 HA2 GLY 102 -20.250 -3.440 11.114 784 HA3 GLY 102 HA1 GLY 102 -21.798 -2.616 10.989 785 H CYS 103 HN CYS 103 -18.712 -2.512 10.029 786 HA CYS 103 HA CYS 103 -18.863 0.365 9.527 787 HB2 CYS 103 HB2 CYS 103 -17.206 -0.059 11.303 788 HB3 CYS 103 HB1 CYS 103 -16.374 -1.195 10.254 789 HG CYS 103 HG CYS 103 -14.683 0.643 9.711 790 H VAL 104 HN VAL 104 -19.016 0.679 7.430 791 HA VAL 104 HA VAL 104 -17.365 -0.901 5.603 792 HB VAL 104 HB VAL 104 -19.239 -1.112 3.975 793 HG11 VAL 104 HG11 VAL 104 -19.842 -2.412 6.623 794 HG12 VAL 104 HG12 VAL 104 -18.706 -3.003 5.413 795 HG13 VAL 104 HG13 VAL 104 -20.430 -2.941 5.047 796 HG21 VAL 104 HG21 VAL 104 -21.550 -0.773 4.708 797 HG22 VAL 104 HG22 VAL 104 -20.628 0.729 4.753 798 HG23 VAL 104 HG23 VAL 104 -20.968 -0.143 6.248 799 HA PRO 105 HA PRO 105 -16.633 2.995 3.619 800 HB2 PRO 105 HB2 PRO 105 -17.104 1.738 0.986 801 HB3 PRO 105 HB1 PRO 105 -15.644 2.512 1.614 802 HG2 PRO 105 HG2 PRO 105 -15.803 -0.148 1.310 803 HG3 PRO 105 HG1 PRO 105 -14.906 0.588 2.647 804 HD2 PRO 105 HD2 PRO 105 -17.606 -0.693 2.650 805 HD3 PRO 105 HD1 PRO 105 -16.318 -0.763 3.872 806 H TYR 106 HN TYR 106 -17.740 4.709 2.718 807 HA TYR 106 HA TYR 106 -20.491 4.809 2.941 808 HB2 TYR 106 HB2 TYR 106 -19.256 6.840 2.969 809 HB3 TYR 106 HB1 TYR 106 -18.582 6.541 1.373 810 HD1 TYR 106 HD1 TYR 106 -21.674 7.464 3.195 811 HD2 TYR 106 HD2 TYR 106 -19.758 7.177 -0.592 812 HE1 TYR 106 HE1 TYR 106 -23.488 8.780 2.173 813 HE2 TYR 106 HE2 TYR 106 -21.567 8.478 -1.615 814 HH TYR 106 HH TYR 106 -23.764 9.158 -1.273 815 H LYS 107 HN LYS 107 -22.100 4.129 1.778 816 HA LYS 107 HA LYS 107 -21.779 3.762 -1.108 817 HB2 LYS 107 HB2 LYS 107 -23.119 1.900 0.858 818 HB3 LYS 107 HB1 LYS 107 -23.406 1.817 -0.871 819 HG2 LYS 107 HG2 LYS 107 -21.044 1.351 -1.242 820 HG3 LYS 107 HG1 LYS 107 -20.749 1.448 0.494 821 HD2 LYS 107 HD2 LYS 107 -22.261 -0.438 0.856 822 HD3 LYS 107 HD1 LYS 107 -22.570 -0.523 -0.883 823 HE2 LYS 107 HE2 LYS 107 -19.885 -0.895 0.444 824 HE3 LYS 107 HE1 LYS 107 -20.921 -2.193 -0.146 825 HZ1 LYS 107 HZ1 LYS 107 -20.723 -1.246 -2.386 826 HZ2 LYS 107 HZ2 LYS 107 -19.225 -1.694 -1.763 827 HZ3 LYS 107 HZ3 LYS 107 -19.666 -0.065 -1.807 828 H HIS 108 HN HIS 108 -23.250 4.823 -2.259 829 HA HIS 108 HA HIS 108 -25.112 6.539 -1.036 830 HB2 HIS 108 HB2 HIS 108 -24.168 6.850 -3.329 831 HB3 HIS 108 HB1 HIS 108 -25.174 5.523 -3.890 832 HD2 HIS 108 HD2 HIS 108 -25.675 9.184 -2.516 833 HE1 HIS 108 HE1 HIS 108 -29.121 8.031 -4.696 834 HE2 HIS 108 HE2 HIS 108 -27.844 9.943 -3.677 835 H GLU 109 HN GLU 109 -25.470 3.378 -2.515 836 HA GLU 109 HA GLU 109 -28.274 3.159 -2.372 837 HB2 GLU 109 HB2 GLU 109 -26.892 1.724 -3.781 838 HB3 GLU 109 HB1 GLU 109 -26.135 1.028 -2.357 839 HG2 GLU 109 HG2 GLU 109 -28.316 0.119 -1.676 840 HG3 GLU 109 HG1 GLU 109 -29.023 0.768 -3.155 841 H LEU 110 HN LEU 110 -25.693 2.236 -0.131 842 HA LEU 110 HA LEU 110 -27.288 0.855 1.729 843 HB2 LEU 110 HB2 LEU 110 -24.835 0.714 1.668 844 HB3 LEU 110 HB1 LEU 110 -24.733 2.378 2.205 845 HG LEU 110 HG LEU 110 -25.864 1.708 4.324 846 HD11 LEU 110 HD11 LEU 110 -26.993 -0.294 3.557 847 HD12 LEU 110 HD12 LEU 110 -25.911 -0.684 4.897 848 HD13 LEU 110 HD13 LEU 110 -25.443 -1.071 3.241 849 HD21 LEU 110 HD21 LEU 110 -23.449 1.959 4.195 850 HD22 LEU 110 HD22 LEU 110 -23.293 0.282 3.668 851 HD23 LEU 110 HD23 LEU 110 -23.888 0.646 5.287 852 H ILE 111 HN ILE 111 -26.328 4.250 1.510 853 HA ILE 111 HA ILE 111 -27.501 5.119 3.906 854 HB ILE 111 HB ILE 111 -27.168 6.708 1.351 855 HG12 ILE 111 HG12 ILE 111 -25.047 5.716 2.071 856 HG13 ILE 111 HG11 ILE 111 -25.034 7.458 2.306 857 HG21 ILE 111 HG21 ILE 111 -27.142 8.670 2.826 858 HG22 ILE 111 HG22 ILE 111 -27.465 7.628 4.213 859 HG23 ILE 111 HG23 ILE 111 -28.668 7.792 2.934 860 HD11 ILE 111 HD11 ILE 111 -25.512 7.105 4.699 861 HD12 ILE 111 HD12 ILE 111 -23.997 6.365 4.181 862 HD13 ILE 111 HD13 ILE 111 -25.424 5.363 4.432 863 H SER 112 HN SER 112 -28.768 4.809 0.636 864 HA SER 112 HA SER 112 -31.277 5.948 1.074 865 HB2 SER 112 HB2 SER 112 -30.591 3.657 -0.794 866 HB3 SER 112 HB1 SER 112 -31.982 4.733 -0.927 867 HG SER 112 HG SER 112 -29.238 5.485 -1.145 868 H GLU 113 HN GLU 113 -30.170 2.573 1.478 869 HA GLU 113 HA GLU 113 -32.664 1.561 2.333 870 HB2 GLU 113 HB2 GLU 113 -30.833 0.104 1.601 871 HB3 GLU 113 HB1 GLU 113 -29.876 0.585 2.995 872 HG2 GLU 113 HG2 GLU 113 -31.573 -0.403 4.476 873 HG3 GLU 113 HG1 GLU 113 -32.481 -0.927 3.061 874 H LEU 114 HN LEU 114 -29.899 2.881 4.128 875 HA LEU 114 HA LEU 114 -30.859 2.366 6.706 876 HB2 LEU 114 HB2 LEU 114 -28.964 4.456 5.705 877 HB3 LEU 114 HB1 LEU 114 -29.279 4.151 7.401 878 HG LEU 114 HG LEU 114 -28.116 2.161 5.457 879 HD11 LEU 114 HD11 LEU 114 -26.845 3.678 7.705 880 HD12 LEU 114 HD12 LEU 114 -26.618 4.004 5.986 881 HD13 LEU 114 HD13 LEU 114 -26.056 2.480 6.679 882 HD21 LEU 114 HD21 LEU 114 -27.692 0.810 7.466 883 HD22 LEU 114 HD22 LEU 114 -29.414 1.057 7.189 884 HD23 LEU 114 HD23 LEU 114 -28.580 1.987 8.434 885 H SER 115 HN SER 115 -31.252 5.221 4.623 886 HA SER 115 HA SER 115 -32.528 6.761 6.621 887 HB2 SER 115 HB2 SER 115 -33.243 8.174 4.637 888 HB3 SER 115 HB1 SER 115 -31.505 7.945 4.840 889 HG SER 115 HG SER 115 -31.461 6.595 3.144 890 H ARG 116 HN ARG 116 -33.736 4.659 4.064 891 HA ARG 116 HA ARG 116 -36.486 5.283 4.608 892 HB2 ARG 116 HB2 ARG 116 -35.185 3.188 2.873 893 HB3 ARG 116 HB1 ARG 116 -36.926 3.429 2.978 894 HG2 ARG 116 HG2 ARG 116 -36.729 5.661 2.115 895 HG3 ARG 116 HG1 ARG 116 -34.970 5.562 2.152 896 HD2 ARG 116 HD2 ARG 116 -35.755 5.259 -0.106 897 HD3 ARG 116 HD1 ARG 116 -35.060 3.755 0.480 898 HE ARG 116 HE ARG 116 -37.756 3.563 0.978 899 HH11 ARG 116 HH11 ARG 116 -35.767 4.110 -1.853 900 HH12 ARG 116 HH12 ARG 116 -36.832 3.300 -2.941 901 HH21 ARG 116 HH21 ARG 116 -39.192 2.454 -0.466 902 HH22 ARG 116 HH22 ARG 116 -38.798 2.359 -2.147 903 H GLU 117 HN GLU 117 -34.192 2.995 5.785 904 HA GLU 117 HA GLU 117 -34.243 1.476 7.461 905 HB2 GLU 117 HB2 GLU 117 -35.568 3.161 8.696 906 HB3 GLU 117 HB1 GLU 117 -37.039 2.530 7.978 907 HG2 GLU 117 HG2 GLU 117 -36.841 1.769 10.250 908 HG3 GLU 117 HG1 GLU 117 -36.678 0.404 9.149 909 H GLY 118 HN GLY 118 -35.691 1.144 4.716 910 HA2 GLY 118 HA2 GLY 118 -36.427 -0.726 3.559 911 HA3 GLY 118 HA1 GLY 118 -36.177 -1.657 5.027 912 H HIS 119 HN HIS 119 -38.292 1.090 4.230 913 HA HIS 119 HA HIS 119 -40.455 0.232 5.783 914 HB2 HIS 119 HB2 HIS 119 -40.240 2.546 5.003 915 HB3 HIS 119 HB1 HIS 119 -40.488 2.027 3.344 916 HD2 HIS 119 HD2 HIS 119 -43.165 1.551 2.621 917 HE1 HIS 119 HE1 HIS 119 -44.838 2.778 6.320 918 HE2 HIS 119 HE2 HIS 119 -45.313 1.898 4.019 919 H HIS 120 HN HIS 120 -39.766 -0.308 2.344 920 HA HIS 120 HA HIS 120 -42.169 -1.899 2.108 921 HB2 HIS 120 HB2 HIS 120 -41.637 -2.129 -0.252 922 HB3 HIS 120 HB1 HIS 120 -41.440 -0.447 0.206 923 HD2 HIS 120 HD2 HIS 120 -39.487 -3.265 -1.458 924 HE1 HIS 120 HE1 HIS 120 -36.722 -0.137 -0.762 925 HE2 HIS 120 HE2 HIS 120 -37.061 -2.429 -1.722 926 H HIS 121 HN HIS 121 -42.172 -3.820 2.974 927 HA HIS 121 HA HIS 121 -40.048 -5.700 2.373 928 HB2 HIS 121 HB2 HIS 121 -39.454 -4.488 4.546 929 HB3 HIS 121 HB1 HIS 121 -40.881 -5.233 5.246 930 HD2 HIS 121 HD2 HIS 121 -40.667 -8.057 5.644 931 HE1 HIS 121 HE1 HIS 121 -36.474 -8.146 5.008 932 HE2 HIS 121 HE2 HIS 121 -38.509 -9.487 5.627 933 H HIS 122 HN HIS 122 -40.758 -7.844 2.485 934 HA HIS 122 HA HIS 122 -43.563 -8.187 2.199 935 HB2 HIS 122 HB2 HIS 122 -42.039 -9.537 0.870 936 HB3 HIS 122 HB1 HIS 122 -41.322 -10.218 2.325 937 HD2 HIS 122 HD2 HIS 122 -42.445 -12.574 3.090 938 HE1 HIS 122 HE1 HIS 122 -46.019 -12.292 0.823 939 HE2 HIS 122 HE2 HIS 122 -44.560 -13.780 2.240 940 H HIS 123 HN HIS 123 -44.699 -7.818 3.969 941 HA HIS 123 HA HIS 123 -44.881 -9.818 5.961 942 HB2 HIS 123 HB2 HIS 123 -42.891 -8.665 6.871 943 HB3 HIS 123 HB1 HIS 123 -43.772 -7.142 6.854 944 HD2 HIS 123 HD2 HIS 123 -45.363 -6.690 9.073 945 HE1 HIS 123 HE1 HIS 123 -44.748 -10.456 10.921 946 HE2 HIS 123 HE2 HIS 123 -45.759 -8.169 11.156 947 H HIS 124 HN HIS 124 -47.007 -9.889 6.263 948 HA HIS 124 HA HIS 124 -48.452 -7.450 6.806 949 HB2 HIS 124 HB2 HIS 124 -50.195 -7.826 5.122 950 HB3 HIS 124 HB1 HIS 124 -48.633 -7.600 4.353 951 HD2 HIS 124 HD2 HIS 124 -47.473 -10.164 3.461 952 HE1 HIS 124 HE1 HIS 124 -51.306 -11.929 3.078 953 HE2 HIS 124 HE2 HIS 124 -48.915 -11.972 2.322 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -10.987 10.389 -15.577 2 H2 MET 1 HT2 MET 1 -11.823 9.809 -16.923 3 H3 MET 1 HT3 MET 1 -11.339 8.743 -15.707 4 HA MET 1 HA MET 1 -12.793 9.786 -14.134 5 HB2 MET 1 HB2 MET 1 -12.687 12.045 -15.157 6 HB3 MET 1 HB1 MET 1 -13.671 11.475 -16.492 7 HG2 MET 1 HG2 MET 1 -14.657 11.370 -13.658 8 HG3 MET 1 HG1 MET 1 -14.798 12.827 -14.634 9 HE1 MET 1 HE1 MET 1 -18.470 11.502 -14.620 10 HE2 MET 1 HE2 MET 1 -17.412 12.877 -14.317 11 HE3 MET 1 HE3 MET 1 -17.311 11.446 -13.293 12 H SER 2 HN SER 2 -13.591 9.219 -17.561 13 HA SER 2 HA SER 2 -16.092 8.008 -16.991 14 HB2 SER 2 HB2 SER 2 -15.573 9.117 -19.154 15 HB3 SER 2 HB1 SER 2 -14.442 7.818 -19.523 16 HG SER 2 HG SER 2 -16.964 6.969 -18.796 17 H LEU 3 HN LEU 3 -12.841 6.782 -17.179 18 HA LEU 3 HA LEU 3 -13.423 4.076 -17.666 19 HB2 LEU 3 HB2 LEU 3 -11.159 5.112 -17.820 20 HB3 LEU 3 HB1 LEU 3 -11.119 5.249 -16.080 21 HG LEU 3 HG LEU 3 -9.778 3.357 -17.130 22 HD11 LEU 3 HD11 LEU 3 -10.241 3.403 -14.752 23 HD12 LEU 3 HD12 LEU 3 -10.321 1.752 -15.372 24 HD13 LEU 3 HD13 LEU 3 -11.806 2.636 -15.025 25 HD21 LEU 3 HD21 LEU 3 -12.512 2.126 -17.440 26 HD22 LEU 3 HD22 LEU 3 -10.967 1.320 -17.715 27 HD23 LEU 3 HD23 LEU 3 -11.466 2.653 -18.756 28 H GLY 4 HN GLY 4 -13.171 5.931 -14.663 29 HA2 GLY 4 HA2 GLY 4 -14.980 4.107 -13.386 30 HA3 GLY 4 HA1 GLY 4 -13.337 3.993 -12.769 31 H SER 5 HN SER 5 -16.152 6.047 -13.095 32 HA SER 5 HA SER 5 -15.089 8.207 -11.571 33 HB2 SER 5 HB2 SER 5 -18.007 7.465 -11.791 34 HB3 SER 5 HB1 SER 5 -17.309 9.063 -11.553 35 HG SER 5 HG SER 5 -16.245 8.251 -13.777 36 H GLU 6 HN GLU 6 -15.081 8.468 -9.357 37 HA GLU 6 HA GLU 6 -15.994 6.167 -7.833 38 HB2 GLU 6 HB2 GLU 6 -14.056 8.348 -7.062 39 HB3 GLU 6 HB1 GLU 6 -14.486 6.960 -6.079 40 HG2 GLU 6 HG2 GLU 6 -13.563 5.484 -7.837 41 HG3 GLU 6 HG1 GLU 6 -13.043 6.922 -8.716 42 H SER 7 HN SER 7 -18.153 7.072 -8.180 43 HA SER 7 HA SER 7 -18.836 9.423 -6.657 44 HB2 SER 7 HB2 SER 7 -20.623 7.436 -8.075 45 HB3 SER 7 HB1 SER 7 -21.123 9.002 -7.437 46 HG SER 7 HG SER 7 -20.604 8.893 -9.751 47 H GLU 8 HN GLU 8 -17.965 6.558 -5.684 48 HA GLU 8 HA GLU 8 -20.063 6.046 -3.732 49 HB2 GLU 8 HB2 GLU 8 -17.497 4.577 -4.333 50 HB3 GLU 8 HB1 GLU 8 -18.632 4.103 -3.078 51 HG2 GLU 8 HG2 GLU 8 -19.086 2.727 -4.908 52 HG3 GLU 8 HG1 GLU 8 -20.372 3.925 -4.893 53 H THR 9 HN THR 9 -17.804 8.211 -3.901 54 HA THR 9 HA THR 9 -16.783 9.615 -2.466 55 HB THR 9 HB THR 9 -17.836 7.987 -0.147 56 HG1 THR 9 HG1 THR 9 -19.123 9.760 -1.924 57 HG21 THR 9 HG21 THR 9 -17.795 10.175 0.982 58 HG22 THR 9 HG22 THR 9 -17.144 10.912 -0.484 59 HG23 THR 9 HG23 THR 9 -16.193 9.720 0.402 60 H GLY 10 HN GLY 10 -16.560 6.371 -1.044 61 HA2 GLY 10 HA2 GLY 10 -14.700 4.980 -0.914 62 HA3 GLY 10 HA1 GLY 10 -13.740 6.241 -1.662 63 H ASN 11 HN ASN 11 -13.787 8.306 0.052 64 HA ASN 11 HA ASN 11 -12.211 7.193 2.229 65 HB2 ASN 11 HB2 ASN 11 -11.435 9.525 2.604 66 HB3 ASN 11 HB1 ASN 11 -11.148 8.950 0.969 67 HD21 ASN 11 HD21 ASN 11 -11.014 10.995 0.118 68 HD22 ASN 11 HD22 ASN 11 -12.389 12.032 -0.053 69 H ALA 12 HN ALA 12 -15.312 7.614 2.043 70 HA ALA 12 HA ALA 12 -15.554 8.532 4.822 71 HB1 ALA 12 HB1 ALA 12 -17.817 9.290 4.309 72 HB2 ALA 12 HB2 ALA 12 -17.627 8.762 2.639 73 HB3 ALA 12 HB3 ALA 12 -16.645 10.089 3.259 74 H VAL 13 HN VAL 13 -16.652 7.221 6.204 75 HA VAL 13 HA VAL 13 -17.710 4.721 5.066 76 HB VAL 13 HB VAL 13 -16.948 3.541 7.087 77 HG11 VAL 13 HG11 VAL 13 -14.558 3.491 6.577 78 HG12 VAL 13 HG12 VAL 13 -14.742 4.962 5.621 79 HG13 VAL 13 HG13 VAL 13 -15.545 3.476 5.116 80 HG21 VAL 13 HG21 VAL 13 -15.527 6.115 7.762 81 HG22 VAL 13 HG22 VAL 13 -15.379 4.588 8.633 82 HG23 VAL 13 HG23 VAL 13 -16.915 5.451 8.620 83 H VAL 14 HN VAL 14 -19.335 3.698 6.277 84 HA VAL 14 HA VAL 14 -20.857 5.522 8.014 85 HB VAL 14 HB VAL 14 -21.874 3.170 6.388 86 HG11 VAL 14 HG11 VAL 14 -23.374 5.238 7.995 87 HG12 VAL 14 HG12 VAL 14 -23.150 3.545 8.433 88 HG13 VAL 14 HG13 VAL 14 -24.098 3.968 7.006 89 HG21 VAL 14 HG21 VAL 14 -21.193 5.067 4.995 90 HG22 VAL 14 HG22 VAL 14 -22.263 6.125 5.913 91 HG23 VAL 14 HG23 VAL 14 -22.937 4.808 4.951 92 H VAL 15 HN VAL 15 -20.520 4.982 10.078 93 HA VAL 15 HA VAL 15 -20.048 2.163 10.722 94 HB VAL 15 HB VAL 15 -19.773 4.494 12.623 95 HG11 VAL 15 HG11 VAL 15 -18.408 3.007 13.921 96 HG12 VAL 15 HG12 VAL 15 -18.418 1.806 12.633 97 HG13 VAL 15 HG13 VAL 15 -19.901 2.152 13.513 98 HG21 VAL 15 HG21 VAL 15 -17.365 4.504 12.118 99 HG22 VAL 15 HG22 VAL 15 -18.329 4.945 10.710 100 HG23 VAL 15 HG23 VAL 15 -17.637 3.327 10.832 101 H PHE 16 HN PHE 16 -21.570 1.009 11.695 102 HA PHE 16 HA PHE 16 -23.683 2.347 13.185 103 HB2 PHE 16 HB2 PHE 16 -25.453 1.101 11.968 104 HB3 PHE 16 HB1 PHE 16 -24.597 2.240 10.939 105 HD1 PHE 16 HD2 PHE 16 -23.082 1.444 9.196 106 HD2 PHE 16 HD1 PHE 16 -25.317 -1.276 11.590 107 HE1 PHE 16 HE2 PHE 16 -22.628 -0.348 7.576 108 HE2 PHE 16 HE1 PHE 16 -24.866 -3.074 9.970 109 HZ PHE 16 HZ PHE 16 -23.519 -2.609 7.960 110 H GLY 17 HN GLY 17 -25.104 0.755 14.322 111 HA2 GLY 17 HA2 GLY 17 -25.288 -1.628 14.999 112 HA3 GLY 17 HA1 GLY 17 -23.532 -1.643 15.051 113 H TYR 18 HN TYR 18 -24.040 1.264 16.177 114 HA TYR 18 HA TYR 18 -24.271 0.323 18.938 115 HB2 TYR 18 HB2 TYR 18 -23.050 2.472 19.507 116 HB3 TYR 18 HB1 TYR 18 -22.118 1.240 18.675 117 HD1 TYR 18 HD1 TYR 18 -23.817 4.519 18.260 118 HD2 TYR 18 HD2 TYR 18 -21.158 1.666 16.562 119 HE1 TYR 18 HE1 TYR 18 -23.141 6.156 16.572 120 HE2 TYR 18 HE2 TYR 18 -20.485 3.305 14.879 121 HH TYR 18 HH TYR 18 -21.409 6.612 15.065 122 H ARG 19 HN ARG 19 -25.152 1.956 20.504 123 HA ARG 19 HA ARG 19 -27.720 2.735 19.447 124 HB2 ARG 19 HB2 ARG 19 -27.588 1.482 21.543 125 HB3 ARG 19 HB1 ARG 19 -26.727 2.815 22.295 126 HG2 ARG 19 HG2 ARG 19 -28.633 4.250 22.067 127 HG3 ARG 19 HG1 ARG 19 -29.505 3.009 21.173 128 HD2 ARG 19 HD2 ARG 19 -30.365 2.858 23.344 129 HD3 ARG 19 HD1 ARG 19 -29.184 1.558 23.267 130 HE ARG 19 HE ARG 19 -28.673 4.173 24.535 131 HH11 ARG 19 HH11 ARG 19 -28.159 0.693 24.414 132 HH12 ARG 19 HH12 ARG 19 -27.383 0.621 25.950 133 HH21 ARG 19 HH21 ARG 19 -27.656 4.078 26.586 134 HH22 ARG 19 HH22 ARG 19 -27.093 2.565 27.199 135 H GLU 20 HN GLU 20 -26.035 4.519 21.979 136 HA GLU 20 HA GLU 20 -25.846 6.955 20.484 137 HB2 GLU 20 HB2 GLU 20 -28.249 6.922 20.729 138 HB3 GLU 20 HB1 GLU 20 -28.113 6.595 22.445 139 HG2 GLU 20 HG2 GLU 20 -27.025 8.821 22.713 140 HG3 GLU 20 HG1 GLU 20 -27.376 9.136 21.015 141 H ALA 21 HN ALA 21 -26.661 6.103 23.856 142 HA ALA 21 HA ALA 21 -24.778 7.968 24.908 143 HB1 ALA 21 HB1 ALA 21 -25.475 7.160 27.092 144 HB2 ALA 21 HB2 ALA 21 -26.292 5.790 26.343 145 HB3 ALA 21 HB3 ALA 21 -26.878 7.429 26.058 146 H ILE 22 HN ILE 22 -24.091 5.293 23.383 147 HA ILE 22 HA ILE 22 -22.248 4.050 25.235 148 HB ILE 22 HB ILE 22 -21.663 2.595 23.311 149 HG12 ILE 22 HG12 ILE 22 -23.384 2.838 21.336 150 HG13 ILE 22 HG11 ILE 22 -23.463 4.514 21.851 151 HG21 ILE 22 HG21 ILE 22 -23.832 1.466 23.158 152 HG22 ILE 22 HG22 ILE 22 -24.613 2.893 23.837 153 HG23 ILE 22 HG23 ILE 22 -23.466 1.971 24.807 154 HD11 ILE 22 HD11 ILE 22 -20.985 3.054 20.933 155 HD12 ILE 22 HD12 ILE 22 -21.032 4.726 21.491 156 HD13 ILE 22 HD13 ILE 22 -21.887 4.266 20.021 157 H THR 23 HN THR 23 -22.075 6.879 23.646 158 HA THR 23 HA THR 23 -19.760 6.772 22.110 159 HB THR 23 HB THR 23 -20.629 9.199 23.674 160 HG1 THR 23 HG1 THR 23 -22.382 9.142 22.489 161 HG21 THR 23 HG21 THR 23 -19.247 8.832 21.003 162 HG22 THR 23 HG22 THR 23 -18.477 9.363 22.499 163 HG23 THR 23 HG23 THR 23 -19.694 10.378 21.728 164 H LYS 24 HN LYS 24 -20.109 7.623 25.576 165 HA LYS 24 HA LYS 24 -17.526 8.341 26.143 166 HB2 LYS 24 HB2 LYS 24 -19.297 6.653 27.907 167 HB3 LYS 24 HB1 LYS 24 -17.951 7.642 28.433 168 HG2 LYS 24 HG2 LYS 24 -20.599 8.570 27.347 169 HG3 LYS 24 HG1 LYS 24 -19.958 8.793 28.973 170 HD2 LYS 24 HD2 LYS 24 -18.018 9.996 27.666 171 HD3 LYS 24 HD1 LYS 24 -19.254 10.187 26.435 172 HE2 LYS 24 HE2 LYS 24 -19.404 11.152 29.285 173 HE3 LYS 24 HE1 LYS 24 -19.267 12.138 27.833 174 HZ1 LYS 24 HZ1 LYS 24 -21.578 10.483 28.662 175 HZ2 LYS 24 HZ2 LYS 24 -21.460 11.218 27.141 176 HZ3 LYS 24 HZ3 LYS 24 -21.503 12.169 28.549 177 H GLN 25 HN GLN 25 -18.848 5.160 25.692 178 HA GLN 25 HA GLN 25 -16.552 3.740 26.635 179 HB2 GLN 25 HB2 GLN 25 -19.011 2.882 25.121 180 HB3 GLN 25 HB1 GLN 25 -17.771 1.776 25.698 181 HG2 GLN 25 HG2 GLN 25 -18.210 2.406 27.956 182 HG3 GLN 25 HG1 GLN 25 -19.389 3.610 27.438 183 HE21 GLN 25 HE21 GLN 25 -19.648 1.287 29.174 184 HE22 GLN 25 HE22 GLN 25 -20.914 0.320 28.501 185 H ILE 26 HN ILE 26 -18.073 3.952 23.414 186 HA ILE 26 HA ILE 26 -15.958 2.629 22.098 187 HB ILE 26 HB ILE 26 -18.455 2.925 21.421 188 HG12 ILE 26 HG12 ILE 26 -16.373 3.138 19.257 189 HG13 ILE 26 HG11 ILE 26 -16.635 1.691 20.231 190 HG21 ILE 26 HG21 ILE 26 -17.235 5.307 20.027 191 HG22 ILE 26 HG22 ILE 26 -18.456 5.361 21.297 192 HG23 ILE 26 HG23 ILE 26 -18.847 4.655 19.729 193 HD11 ILE 26 HD11 ILE 26 -18.923 1.560 19.426 194 HD12 ILE 26 HD12 ILE 26 -17.772 1.535 18.086 195 HD13 ILE 26 HD13 ILE 26 -18.670 3.010 18.455 196 H LEU 27 HN LEU 27 -16.486 5.995 22.828 197 HA LEU 27 HA LEU 27 -14.866 7.163 20.865 198 HB2 LEU 27 HB2 LEU 27 -16.438 8.415 22.298 199 HB3 LEU 27 HB1 LEU 27 -15.391 8.140 23.670 200 HG LEU 27 HG LEU 27 -13.625 9.469 22.554 201 HD11 LEU 27 HD11 LEU 27 -14.234 10.857 20.619 202 HD12 LEU 27 HD12 LEU 27 -15.770 9.998 20.502 203 HD13 LEU 27 HD13 LEU 27 -14.255 9.135 20.241 204 HD21 LEU 27 HD21 LEU 27 -15.120 10.507 24.170 205 HD22 LEU 27 HD22 LEU 27 -16.275 10.868 22.887 206 HD23 LEU 27 HD23 LEU 27 -14.690 11.644 22.893 207 H ALA 28 HN ALA 28 -14.065 5.636 23.900 208 HA ALA 28 HA ALA 28 -11.564 6.706 24.404 209 HB1 ALA 28 HB1 ALA 28 -12.773 5.189 25.916 210 HB2 ALA 28 HB2 ALA 28 -11.094 4.706 25.675 211 HB3 ALA 28 HB3 ALA 28 -12.387 3.841 24.845 212 H TYR 29 HN TYR 29 -12.410 4.158 22.105 213 HA TYR 29 HA TYR 29 -9.598 3.752 21.477 214 HB2 TYR 29 HB2 TYR 29 -11.044 1.771 21.582 215 HB3 TYR 29 HB1 TYR 29 -12.051 2.434 20.299 216 HD1 TYR 29 HD1 TYR 29 -8.640 1.179 21.038 217 HD2 TYR 29 HD2 TYR 29 -11.486 2.154 18.035 218 HE1 TYR 29 HE1 TYR 29 -7.176 0.167 19.334 219 HE2 TYR 29 HE2 TYR 29 -10.041 1.144 16.319 220 HH TYR 29 HH TYR 29 -7.327 -0.792 17.089 221 H PHE 30 HN PHE 30 -12.506 4.974 19.860 222 HA PHE 30 HA PHE 30 -11.025 5.413 17.433 223 HB2 PHE 30 HB2 PHE 30 -13.916 5.880 18.107 224 HB3 PHE 30 HB1 PHE 30 -13.205 6.298 16.551 225 HD1 PHE 30 HD2 PHE 30 -12.365 4.552 15.058 226 HD2 PHE 30 HD1 PHE 30 -14.382 3.611 18.682 227 HE1 PHE 30 HE2 PHE 30 -12.709 2.251 14.260 228 HE2 PHE 30 HE1 PHE 30 -14.729 1.302 17.894 229 HZ PHE 30 HZ PHE 30 -13.889 0.620 15.674 230 H ALA 31 HN ALA 31 -11.389 7.236 20.185 231 HA ALA 31 HA ALA 31 -11.764 9.838 19.257 232 HB1 ALA 31 HB1 ALA 31 -11.744 9.243 21.630 233 HB2 ALA 31 HB2 ALA 31 -10.648 10.583 21.286 234 HB3 ALA 31 HB3 ALA 31 -10.008 8.959 21.539 235 H GLN 32 HN GLN 32 -9.015 7.762 19.013 236 HA GLN 32 HA GLN 32 -7.003 9.666 18.556 237 HB2 GLN 32 HB2 GLN 32 -6.561 7.313 18.986 238 HB3 GLN 32 HB1 GLN 32 -7.265 6.886 17.434 239 HG2 GLN 32 HG2 GLN 32 -5.511 7.976 16.247 240 HG3 GLN 32 HG1 GLN 32 -4.878 8.689 17.732 241 HE21 GLN 32 HE21 GLN 32 -5.251 6.332 19.301 242 HE22 GLN 32 HE22 GLN 32 -4.040 5.221 18.810 243 H PHE 33 HN PHE 33 -9.476 8.285 16.509 244 HA PHE 33 HA PHE 33 -8.427 9.341 14.060 245 HB2 PHE 33 HB2 PHE 33 -11.148 8.205 14.730 246 HB3 PHE 33 HB1 PHE 33 -10.594 8.616 13.111 247 HD1 PHE 33 HD2 PHE 33 -8.913 7.254 11.985 248 HD2 PHE 33 HD1 PHE 33 -10.338 6.254 15.862 249 HE1 PHE 33 HE2 PHE 33 -7.953 5.001 11.753 250 HE2 PHE 33 HE1 PHE 33 -9.382 3.998 15.642 251 HZ PHE 33 HZ PHE 33 -8.188 3.370 13.582 252 H GLY 34 HN GLY 34 -11.168 10.188 16.213 253 HA2 GLY 34 HA2 GLY 34 -10.942 12.864 16.237 254 HA3 GLY 34 HA1 GLY 34 -11.662 12.588 14.663 255 H GLU 35 HN GLU 35 -13.616 13.408 14.919 256 HA GLU 35 HA GLU 35 -15.208 13.033 17.316 257 HB2 GLU 35 HB2 GLU 35 -16.773 14.567 16.142 258 HB3 GLU 35 HB1 GLU 35 -15.146 15.220 16.295 259 HG2 GLU 35 HG2 GLU 35 -14.692 14.481 13.959 260 HG3 GLU 35 HG1 GLU 35 -16.381 14.001 13.830 261 H ILE 36 HN ILE 36 -17.274 12.007 17.382 262 HA ILE 36 HA ILE 36 -18.114 10.585 14.965 263 HB ILE 36 HB ILE 36 -18.064 9.164 17.651 264 HG12 ILE 36 HG12 ILE 36 -16.304 8.769 15.212 265 HG13 ILE 36 HG11 ILE 36 -15.778 9.430 16.757 266 HG21 ILE 36 HG21 ILE 36 -19.886 8.523 16.123 267 HG22 ILE 36 HG22 ILE 36 -18.730 7.215 16.366 268 HG23 ILE 36 HG23 ILE 36 -18.694 8.154 14.875 269 HD11 ILE 36 HD11 ILE 36 -16.270 7.316 17.840 270 HD12 ILE 36 HD12 ILE 36 -15.139 7.099 16.500 271 HD13 ILE 36 HD13 ILE 36 -16.841 6.665 16.303 272 H LEU 37 HN LEU 37 -19.288 10.530 18.341 273 HA LEU 37 HA LEU 37 -21.930 11.180 17.271 274 HB2 LEU 37 HB2 LEU 37 -21.181 10.037 19.953 275 HB3 LEU 37 HB1 LEU 37 -22.807 10.469 19.476 276 HG LEU 37 HG LEU 37 -22.281 8.763 17.492 277 HD11 LEU 37 HD11 LEU 37 -20.598 7.721 19.763 278 HD12 LEU 37 HD12 LEU 37 -19.986 8.334 18.226 279 HD13 LEU 37 HD13 LEU 37 -20.975 6.874 18.262 280 HD21 LEU 37 HD21 LEU 37 -23.413 7.041 18.781 281 HD22 LEU 37 HD22 LEU 37 -24.137 8.617 19.100 282 HD23 LEU 37 HD23 LEU 37 -23.042 7.892 20.277 283 H GLU 38 HN GLU 38 -23.376 12.383 18.798 284 HA GLU 38 HA GLU 38 -22.412 15.036 19.089 285 HB2 GLU 38 HB2 GLU 38 -24.968 13.741 20.037 286 HB3 GLU 38 HB1 GLU 38 -24.672 15.470 19.975 287 HG2 GLU 38 HG2 GLU 38 -24.514 15.415 17.581 288 HG3 GLU 38 HG1 GLU 38 -24.619 13.656 17.578 289 H ASP 39 HN ASP 39 -23.042 12.415 21.340 290 HA ASP 39 HA ASP 39 -22.700 14.057 23.677 291 HB2 ASP 39 HB2 ASP 39 -24.243 12.150 23.730 292 HB3 ASP 39 HB1 ASP 39 -22.905 11.050 23.409 293 H LEU 40 HN LEU 40 -20.773 14.752 24.214 294 HA LEU 40 HA LEU 40 -18.504 12.903 23.993 295 HB2 LEU 40 HB2 LEU 40 -18.499 15.876 23.453 296 HB3 LEU 40 HB1 LEU 40 -17.072 14.865 23.498 297 HG LEU 40 HG LEU 40 -19.318 14.568 21.500 298 HD11 LEU 40 HD11 LEU 40 -16.591 15.810 21.208 299 HD12 LEU 40 HD12 LEU 40 -18.136 16.660 21.177 300 HD13 LEU 40 HD13 LEU 40 -17.733 15.517 19.897 301 HD21 LEU 40 HD21 LEU 40 -16.591 13.284 21.654 302 HD22 LEU 40 HD22 LEU 40 -17.737 13.110 20.325 303 HD23 LEU 40 HD23 LEU 40 -18.135 12.477 21.920 304 H GLU 41 HN GLU 41 -19.072 16.141 25.294 305 HA GLU 41 HA GLU 41 -18.696 17.123 27.284 306 HB2 GLU 41 HB2 GLU 41 -19.090 14.312 28.311 307 HB3 GLU 41 HB1 GLU 41 -18.896 15.707 29.361 308 HG2 GLU 41 HG2 GLU 41 -20.892 16.717 28.421 309 HG3 GLU 41 HG1 GLU 41 -21.075 15.355 27.317 310 H SER 42 HN SER 42 -17.020 14.030 27.760 311 HA SER 42 HA SER 42 -14.510 15.522 28.004 312 HB2 SER 42 HB2 SER 42 -15.337 13.063 29.570 313 HB3 SER 42 HB1 SER 42 -13.805 13.928 29.723 314 HG SER 42 HG SER 42 -15.353 15.812 30.150 315 H GLU 43 HN GLU 43 -13.302 15.003 26.320 316 HA GLU 43 HA GLU 43 -13.848 12.539 24.888 317 HB2 GLU 43 HB2 GLU 43 -12.117 14.902 24.158 318 HB3 GLU 43 HB1 GLU 43 -12.446 13.527 23.113 319 HG2 GLU 43 HG2 GLU 43 -14.823 14.076 23.124 320 HG3 GLU 43 HG1 GLU 43 -14.507 15.441 24.193 321 H LEU 44 HN LEU 44 -10.733 14.195 25.495 322 HA LEU 44 HA LEU 44 -9.671 11.587 26.302 323 HB2 LEU 44 HB2 LEU 44 -8.442 13.593 24.439 324 HB3 LEU 44 HB1 LEU 44 -7.537 12.304 25.189 325 HG LEU 44 HG LEU 44 -9.895 11.889 23.357 326 HD11 LEU 44 HD11 LEU 44 -6.945 11.625 22.806 327 HD12 LEU 44 HD12 LEU 44 -8.024 12.850 22.138 328 HD13 LEU 44 HD13 LEU 44 -8.247 11.151 21.713 329 HD21 LEU 44 HD21 LEU 44 -7.903 9.964 24.543 330 HD22 LEU 44 HD22 LEU 44 -9.090 9.561 23.306 331 HD23 LEU 44 HD23 LEU 44 -9.627 10.060 24.910 332 H GLY 45 HN GLY 45 -8.982 15.085 26.320 333 HA2 GLY 45 HA2 GLY 45 -8.426 16.349 28.208 334 HA3 GLY 45 HA1 GLY 45 -8.203 14.860 29.114 335 H ASP 46 HN ASP 46 -6.380 13.485 27.690 336 HA ASP 46 HA ASP 46 -4.001 14.990 28.242 337 HB2 ASP 46 HB2 ASP 46 -2.788 12.865 27.575 338 HB3 ASP 46 HB1 ASP 46 -3.896 12.714 28.926 339 H THR 47 HN THR 47 -4.762 13.131 25.312 340 HA THR 47 HA THR 47 -2.958 14.779 23.816 341 HB THR 47 HB THR 47 -4.872 12.704 22.717 342 HG1 THR 47 HG1 THR 47 -3.453 11.924 24.440 343 HG21 THR 47 HG21 THR 47 -3.814 14.159 21.034 344 HG22 THR 47 HG22 THR 47 -3.189 12.512 20.932 345 HG23 THR 47 HG23 THR 47 -2.228 13.776 21.701 346 H GLU 48 HN GLU 48 -6.086 13.902 22.444 347 HA GLU 48 HA GLU 48 -7.788 15.036 21.512 348 HB2 GLU 48 HB2 GLU 48 -8.048 15.950 23.776 349 HB3 GLU 48 HB1 GLU 48 -6.959 17.265 23.356 350 HG2 GLU 48 HG2 GLU 48 -8.549 17.958 21.603 351 HG3 GLU 48 HG1 GLU 48 -9.645 16.691 22.148 352 H THR 49 HN THR 49 -4.788 16.862 21.684 353 HA THR 49 HA THR 49 -5.441 18.697 19.598 354 HB THR 49 HB THR 49 -2.992 19.302 19.812 355 HG1 THR 49 HG1 THR 49 -2.394 18.207 22.086 356 HG21 THR 49 HG21 THR 49 -4.752 20.448 21.099 357 HG22 THR 49 HG22 THR 49 -3.266 20.297 22.036 358 HG23 THR 49 HG23 THR 49 -4.623 19.220 22.361 359 H MET 50 HN MET 50 -4.687 15.496 19.460 360 HA MET 50 HA MET 50 -3.642 15.817 16.733 361 HB2 MET 50 HB2 MET 50 -1.870 14.922 18.197 362 HB3 MET 50 HB1 MET 50 -2.924 13.598 18.667 363 HG2 MET 50 HG2 MET 50 -1.328 12.842 17.034 364 HG3 MET 50 HG1 MET 50 -2.951 12.809 16.344 365 HE1 MET 50 HE1 MET 50 -0.326 12.582 14.590 366 HE2 MET 50 HE2 MET 50 -0.693 13.675 13.258 367 HE3 MET 50 HE3 MET 50 -1.943 12.599 13.887 368 H ARG 51 HN ARG 51 -5.912 15.844 16.192 369 HA ARG 51 HA ARG 51 -6.947 13.170 15.693 370 HB2 ARG 51 HB2 ARG 51 -8.642 15.280 17.059 371 HB3 ARG 51 HB1 ARG 51 -9.174 13.693 16.543 372 HG2 ARG 51 HG2 ARG 51 -7.625 12.688 18.206 373 HG3 ARG 51 HG1 ARG 51 -7.233 14.322 18.753 374 HD2 ARG 51 HD2 ARG 51 -9.976 13.088 18.732 375 HD3 ARG 51 HD1 ARG 51 -8.939 13.238 20.146 376 HE ARG 51 HE ARG 51 -9.135 15.788 19.301 377 HH11 ARG 51 HH11 ARG 51 -11.537 13.299 19.856 378 HH12 ARG 51 HH12 ARG 51 -12.760 14.422 20.372 379 HH21 ARG 51 HH21 ARG 51 -10.796 17.274 19.975 380 HH22 ARG 51 HH22 ARG 51 -12.337 16.638 20.452 381 H THR 52 HN THR 52 -8.880 13.312 14.208 382 HA THR 52 HA THR 52 -9.912 13.946 12.330 383 HB THR 52 HB THR 52 -10.536 16.396 12.093 384 HG1 THR 52 HG1 THR 52 -8.599 16.703 13.877 385 HG21 THR 52 HG21 THR 52 -11.997 14.783 13.204 386 HG22 THR 52 HG22 THR 52 -12.079 16.358 13.996 387 HG23 THR 52 HG23 THR 52 -11.147 15.050 14.727 388 HA PRO 53 HA PRO 53 -7.035 15.000 9.213 389 HB2 PRO 53 HB2 PRO 53 -8.617 15.584 7.109 390 HB3 PRO 53 HB1 PRO 53 -8.466 13.949 7.759 391 HG2 PRO 53 HG2 PRO 53 -10.673 15.913 8.073 392 HG3 PRO 53 HG1 PRO 53 -10.745 14.146 8.009 393 HD2 PRO 53 HD2 PRO 53 -10.860 15.720 10.320 394 HD3 PRO 53 HD1 PRO 53 -10.553 13.973 10.265 395 H GLY 54 HN GLY 54 -6.067 16.868 10.094 396 HA2 GLY 54 HA2 GLY 54 -5.158 18.941 9.576 397 HA3 GLY 54 HA1 GLY 54 -6.436 19.182 8.402 398 H TYR 55 HN TYR 55 -8.714 19.150 9.853 399 HA TYR 55 HA TYR 55 -8.297 21.266 11.805 400 HB2 TYR 55 HB2 TYR 55 -9.914 21.295 9.359 401 HB3 TYR 55 HB1 TYR 55 -10.736 21.894 10.797 402 HD1 TYR 55 HD1 TYR 55 -7.826 22.415 8.566 403 HD2 TYR 55 HD2 TYR 55 -10.155 23.961 11.773 404 HE1 TYR 55 HE1 TYR 55 -6.696 24.591 8.342 405 HE2 TYR 55 HE2 TYR 55 -9.040 26.130 11.552 406 HH TYR 55 HH TYR 55 -7.150 26.961 8.880 407 H PHE 56 HN PHE 56 -9.455 21.296 13.501 408 HA PHE 56 HA PHE 56 -10.931 18.919 14.265 409 HB2 PHE 56 HB2 PHE 56 -10.206 21.389 15.865 410 HB3 PHE 56 HB1 PHE 56 -10.897 19.913 16.518 411 HD1 PHE 56 HD1 PHE 56 -7.891 21.492 15.166 412 HD2 PHE 56 HD2 PHE 56 -9.548 17.939 16.819 413 HE1 PHE 56 HE1 PHE 56 -5.627 20.616 15.537 414 HE2 PHE 56 HE2 PHE 56 -7.281 17.055 17.187 415 HZ PHE 56 HZ PHE 56 -5.321 18.395 16.545 416 H PHE 57 HN PHE 57 -12.869 19.459 15.780 417 HA PHE 57 HA PHE 57 -14.680 21.205 14.290 418 HB2 PHE 57 HB2 PHE 57 -16.489 19.927 15.390 419 HB3 PHE 57 HB1 PHE 57 -15.392 18.841 14.570 420 HD1 PHE 57 HD2 PHE 57 -13.803 17.527 15.864 421 HD2 PHE 57 HD1 PHE 57 -16.848 19.857 17.663 422 HE1 PHE 57 HE2 PHE 57 -13.554 16.259 17.916 423 HE2 PHE 57 HE1 PHE 57 -16.608 18.596 19.723 424 HZ PHE 57 HZ PHE 57 -14.955 16.776 19.878 425 H GLN 58 HN GLN 58 -15.871 22.787 15.334 426 HA GLN 58 HA GLN 58 -14.620 23.811 17.725 427 HB2 GLN 58 HB2 GLN 58 -16.768 24.965 15.942 428 HB3 GLN 58 HB1 GLN 58 -16.146 25.771 17.372 429 HG2 GLN 58 HG2 GLN 58 -15.019 26.730 15.539 430 HG3 GLN 58 HG1 GLN 58 -13.860 25.643 16.303 431 HE21 GLN 58 HE21 GLN 58 -12.627 25.366 14.479 432 HE22 GLN 58 HE22 GLN 58 -13.180 24.497 13.088 433 H GLN 59 HN GLN 59 -15.591 24.158 19.672 434 HA GLN 59 HA GLN 59 -17.578 22.372 20.534 435 HB2 GLN 59 HB2 GLN 59 -15.864 23.318 22.026 436 HB3 GLN 59 HB1 GLN 59 -16.584 24.906 21.835 437 HG2 GLN 59 HG2 GLN 59 -18.635 24.074 22.913 438 HG3 GLN 59 HG1 GLN 59 -17.849 22.512 23.153 439 HE21 GLN 59 HE21 GLN 59 -17.998 22.645 25.381 440 HE22 GLN 59 HE22 GLN 59 -17.023 23.725 26.313 441 H ALA 60 HN ALA 60 -17.641 25.537 19.360 442 HA ALA 60 HA ALA 60 -19.262 26.910 18.557 443 HB1 ALA 60 HB1 ALA 60 -21.493 26.089 18.112 444 HB2 ALA 60 HB2 ALA 60 -21.227 24.701 19.165 445 HB3 ALA 60 HB3 ALA 60 -20.313 24.856 17.664 446 HA PRO 61 HA PRO 61 -20.676 28.988 22.185 447 HB2 PRO 61 HB2 PRO 61 -22.165 30.927 21.020 448 HB3 PRO 61 HB1 PRO 61 -20.398 30.934 20.982 449 HG2 PRO 61 HG2 PRO 61 -22.334 30.063 18.873 450 HG3 PRO 61 HG1 PRO 61 -20.850 31.015 18.700 451 HD2 PRO 61 HD2 PRO 61 -20.968 28.364 18.141 452 HD3 PRO 61 HD1 PRO 61 -19.501 29.156 18.745 453 H ASN 62 HN ASN 62 -22.696 27.391 19.968 454 HA ASN 62 HA ASN 62 -25.037 27.732 21.705 455 HB2 ASN 62 HB2 ASN 62 -24.869 26.821 18.831 456 HB3 ASN 62 HB1 ASN 62 -26.353 26.871 19.770 457 HD21 ASN 62 HD21 ASN 62 -25.483 28.273 17.314 458 HD22 ASN 62 HD22 ASN 62 -25.707 29.955 17.639 459 H ARG 63 HN ARG 63 -24.230 25.132 19.438 460 HA ARG 63 HA ARG 63 -23.935 23.275 21.663 461 HB2 ARG 63 HB2 ARG 63 -25.987 22.989 19.496 462 HB3 ARG 63 HB1 ARG 63 -25.340 21.600 20.341 463 HG2 ARG 63 HG2 ARG 63 -26.664 23.917 21.711 464 HG3 ARG 63 HG1 ARG 63 -27.482 22.423 21.254 465 HD2 ARG 63 HD2 ARG 63 -25.849 21.152 22.639 466 HD3 ARG 63 HD1 ARG 63 -25.129 22.669 23.151 467 HE ARG 63 HE ARG 63 -27.734 23.015 23.782 468 HH11 ARG 63 HH11 ARG 63 -25.447 20.462 24.513 469 HH12 ARG 63 HH12 ARG 63 -26.215 20.011 25.995 470 HH21 ARG 63 HH21 ARG 63 -28.752 22.439 25.755 471 HH22 ARG 63 HH22 ARG 63 -28.107 21.147 26.702 472 H ARG 64 HN ARG 64 -22.955 21.379 21.205 473 HA ARG 64 HA ARG 64 -20.791 21.575 19.400 474 HB2 ARG 64 HB2 ARG 64 -21.848 19.152 20.852 475 HB3 ARG 64 HB1 ARG 64 -20.205 19.411 20.275 476 HG2 ARG 64 HG2 ARG 64 -19.861 21.170 21.860 477 HG3 ARG 64 HG1 ARG 64 -21.545 21.089 22.373 478 HD2 ARG 64 HD2 ARG 64 -20.844 18.554 22.790 479 HD3 ARG 64 HD1 ARG 64 -19.269 19.322 23.004 480 HE ARG 64 HE ARG 64 -21.633 20.316 24.447 481 HH11 ARG 64 HH11 ARG 64 -18.350 19.006 24.498 482 HH12 ARG 64 HH12 ARG 64 -18.174 19.166 26.212 483 HH21 ARG 64 HH21 ARG 64 -21.383 20.493 26.736 484 HH22 ARG 64 HH22 ARG 64 -19.895 20.014 27.485 485 H ARG 65 HN ARG 65 -20.542 20.587 17.412 486 HA ARG 65 HA ARG 65 -22.655 18.815 16.505 487 HB2 ARG 65 HB2 ARG 65 -22.912 20.040 14.373 488 HB3 ARG 65 HB1 ARG 65 -23.416 20.996 15.753 489 HG2 ARG 65 HG2 ARG 65 -22.238 22.552 14.533 490 HG3 ARG 65 HG1 ARG 65 -20.997 21.930 15.621 491 HD2 ARG 65 HD2 ARG 65 -20.221 20.408 13.869 492 HD3 ARG 65 HD1 ARG 65 -21.436 21.062 12.771 493 HE ARG 65 HE ARG 65 -20.213 23.274 13.233 494 HH11 ARG 65 HH11 ARG 65 -18.626 20.140 13.122 495 HH12 ARG 65 HH12 ARG 65 -17.137 20.759 12.509 496 HH21 ARG 65 HH21 ARG 65 -18.242 24.113 12.453 497 HH22 ARG 65 HH22 ARG 65 -16.914 23.053 12.123 498 H ILE 66 HN ILE 66 -22.054 17.490 14.788 499 HA ILE 66 HA ILE 66 -19.200 17.084 14.588 500 HB ILE 66 HB ILE 66 -20.338 15.069 15.004 501 HG12 ILE 66 HG12 ILE 66 -19.849 15.117 12.014 502 HG13 ILE 66 HG11 ILE 66 -18.610 14.890 13.240 503 HG21 ILE 66 HG21 ILE 66 -22.244 15.755 12.786 504 HG22 ILE 66 HG22 ILE 66 -22.572 15.793 14.519 505 HG23 ILE 66 HG23 ILE 66 -22.246 14.254 13.722 506 HD11 ILE 66 HD11 ILE 66 -19.668 12.801 13.914 507 HD12 ILE 66 HD12 ILE 66 -19.251 12.792 12.199 508 HD13 ILE 66 HD13 ILE 66 -20.923 13.045 12.701 509 H SER 67 HN SER 67 -18.009 17.302 12.805 510 HA SER 67 HA SER 67 -18.729 19.223 10.911 511 HB2 SER 67 HB2 SER 67 -16.523 17.170 10.702 512 HB3 SER 67 HB1 SER 67 -16.607 18.718 9.862 513 HG SER 67 HG SER 67 -15.820 18.141 12.430 514 H ARG 68 HN ARG 68 -18.798 15.721 10.719 515 HA ARG 68 HA ARG 68 -19.754 15.865 7.964 516 HB2 ARG 68 HB2 ARG 68 -18.743 13.536 9.592 517 HB3 ARG 68 HB1 ARG 68 -19.421 13.372 7.976 518 HG2 ARG 68 HG2 ARG 68 -17.027 15.084 8.638 519 HG3 ARG 68 HG1 ARG 68 -16.933 13.427 8.037 520 HD2 ARG 68 HD2 ARG 68 -18.035 14.053 5.985 521 HD3 ARG 68 HD1 ARG 68 -18.333 15.678 6.590 522 HE ARG 68 HE ARG 68 -15.653 15.527 6.700 523 HH11 ARG 68 HH11 ARG 68 -17.905 14.710 4.115 524 HH12 ARG 68 HH12 ARG 68 -16.813 15.155 2.853 525 HH21 ARG 68 HH21 ARG 68 -14.218 16.125 5.012 526 HH22 ARG 68 HH22 ARG 68 -14.707 15.949 3.359 527 H GLU 69 HN GLU 69 -21.524 14.459 7.308 528 HA GLU 69 HA GLU 69 -23.831 15.031 8.878 529 HB2 GLU 69 HB2 GLU 69 -23.493 14.866 6.289 530 HB3 GLU 69 HB1 GLU 69 -23.779 13.154 6.525 531 HG2 GLU 69 HG2 GLU 69 -25.721 15.188 7.523 532 HG3 GLU 69 HG1 GLU 69 -25.730 14.672 5.840 533 H HIS 70 HN HIS 70 -24.902 13.753 10.290 534 HA HIS 70 HA HIS 70 -24.053 10.942 10.548 535 HB2 HIS 70 HB2 HIS 70 -24.121 11.112 12.947 536 HB3 HIS 70 HB1 HIS 70 -23.122 12.427 12.348 537 HD2 HIS 70 HD2 HIS 70 -26.068 11.901 14.684 538 HE1 HIS 70 HE1 HIS 70 -26.032 16.039 13.764 539 HE2 HIS 70 HE2 HIS 70 -26.741 14.299 15.420 540 H GLY 71 HN GLY 71 -25.595 9.441 11.087 541 HA2 GLY 71 HA2 GLY 71 -28.364 10.300 10.714 542 HA3 GLY 71 HA1 GLY 71 -27.750 8.660 10.535 543 H ARG 72 HN ARG 72 -29.623 8.142 11.901 544 HA ARG 72 HA ARG 72 -29.577 8.996 14.658 545 HB2 ARG 72 HB2 ARG 72 -31.214 6.845 13.330 546 HB3 ARG 72 HB1 ARG 72 -31.458 7.453 14.960 547 HG2 ARG 72 HG2 ARG 72 -31.946 9.680 14.035 548 HG3 ARG 72 HG1 ARG 72 -31.767 9.019 12.410 549 HD2 ARG 72 HD2 ARG 72 -33.581 7.412 12.909 550 HD3 ARG 72 HD1 ARG 72 -33.792 8.189 14.475 551 HE ARG 72 HE ARG 72 -34.042 9.814 12.054 552 HH11 ARG 72 HH11 ARG 72 -35.556 8.311 14.849 553 HH12 ARG 72 HH12 ARG 72 -37.049 9.160 14.653 554 HH21 ARG 72 HH21 ARG 72 -36.051 10.921 11.781 555 HH22 ARG 72 HH22 ARG 72 -37.330 10.646 12.905 556 H THR 73 HN THR 73 -29.088 5.872 13.092 557 HA THR 73 HA THR 73 -27.693 5.058 15.530 558 HB THR 73 HB THR 73 -28.198 2.735 14.672 559 HG1 THR 73 HG1 THR 73 -30.021 2.626 13.261 560 HG21 THR 73 HG21 THR 73 -29.330 3.692 16.603 561 HG22 THR 73 HG22 THR 73 -30.465 2.743 15.642 562 HG23 THR 73 HG23 THR 73 -30.481 4.505 15.543 563 H TRP 74 HN TRP 74 -26.946 6.272 12.733 564 HA TRP 74 HA TRP 74 -24.521 4.681 12.501 565 HB2 TRP 74 HB2 TRP 74 -24.629 4.883 10.000 566 HB3 TRP 74 HB1 TRP 74 -25.841 3.823 10.698 567 HD1 TRP 74 HD1 TRP 74 -28.388 4.532 10.461 568 HE1 TRP 74 HE1 TRP 74 -29.580 6.246 8.961 569 HE3 TRP 74 HE3 TRP 74 -24.326 7.264 8.921 570 HZ2 TRP 74 HZ2 TRP 74 -28.912 8.447 7.339 571 HZ3 TRP 74 HZ3 TRP 74 -24.706 9.168 7.393 572 HH2 TRP 74 HH2 TRP 74 -26.944 9.737 6.624 573 H THR 75 HN THR 75 -22.735 5.814 11.873 574 HA THR 75 HA THR 75 -23.080 8.725 11.623 575 HB THR 75 HB THR 75 -20.959 7.250 13.202 576 HG1 THR 75 HG1 THR 75 -23.305 7.648 13.965 577 HG21 THR 75 HG21 THR 75 -20.195 9.414 13.937 578 HG22 THR 75 HG22 THR 75 -21.430 10.222 12.966 579 HG23 THR 75 HG23 THR 75 -20.121 9.337 12.175 580 H LYS 76 HN LYS 76 -22.117 9.545 9.851 581 HA LYS 76 HA LYS 76 -20.387 7.808 8.286 582 HB2 LYS 76 HB2 LYS 76 -22.208 8.962 7.123 583 HB3 LYS 76 HB1 LYS 76 -21.579 10.517 7.638 584 HG2 LYS 76 HG2 LYS 76 -19.543 10.114 6.324 585 HG3 LYS 76 HG1 LYS 76 -20.206 8.566 5.798 586 HD2 LYS 76 HD2 LYS 76 -20.594 10.185 4.067 587 HD3 LYS 76 HD1 LYS 76 -22.141 9.802 4.826 588 HE2 LYS 76 HE2 LYS 76 -22.008 11.836 6.158 589 HE3 LYS 76 HE1 LYS 76 -20.430 12.203 5.464 590 HZ1 LYS 76 HZ1 LYS 76 -21.491 12.369 3.289 591 HZ2 LYS 76 HZ2 LYS 76 -22.155 13.469 4.384 592 HZ3 LYS 76 HZ3 LYS 76 -22.999 12.058 3.985 593 H LEU 77 HN LEU 77 -18.286 7.910 8.560 594 HA LEU 77 HA LEU 77 -17.135 10.406 9.603 595 HB2 LEU 77 HB2 LEU 77 -16.109 7.587 9.900 596 HB3 LEU 77 HB1 LEU 77 -15.330 9.028 10.527 597 HG LEU 77 HG LEU 77 -18.018 7.966 11.398 598 HD11 LEU 77 HD11 LEU 77 -16.882 7.438 13.492 599 HD12 LEU 77 HD12 LEU 77 -15.351 7.979 12.802 600 HD13 LEU 77 HD13 LEU 77 -16.169 6.564 12.136 601 HD21 LEU 77 HD21 LEU 77 -17.910 10.390 11.542 602 HD22 LEU 77 HD22 LEU 77 -16.386 10.285 12.422 603 HD23 LEU 77 HD23 LEU 77 -17.869 9.667 13.149 604 H THR 78 HN THR 78 -15.719 11.441 8.418 605 HA THR 78 HA THR 78 -14.577 10.050 6.099 606 HB THR 78 HB THR 78 -14.966 13.030 6.515 607 HG1 THR 78 HG1 THR 78 -16.347 11.216 4.801 608 HG21 THR 78 HG21 THR 78 -14.367 13.197 4.128 609 HG22 THR 78 HG22 THR 78 -14.078 11.460 4.081 610 HG23 THR 78 HG23 THR 78 -13.048 12.498 5.065 611 H TYR 79 HN TYR 79 -12.575 9.410 6.534 612 HA TYR 79 HA TYR 79 -10.975 10.828 8.512 613 HB2 TYR 79 HB2 TYR 79 -10.304 8.334 6.932 614 HB3 TYR 79 HB1 TYR 79 -9.411 8.966 8.310 615 HD1 TYR 79 HD2 TYR 79 -10.571 9.017 10.571 616 HD2 TYR 79 HD1 TYR 79 -12.137 6.896 7.237 617 HE1 TYR 79 HE2 TYR 79 -11.990 7.689 12.084 618 HE2 TYR 79 HE1 TYR 79 -13.561 5.572 8.736 619 HH TYR 79 HH TYR 79 -14.086 6.394 11.972 620 H ALA 80 HN ALA 80 -11.308 10.558 5.122 621 HA ALA 80 HA ALA 80 -10.340 11.561 3.350 622 HB1 ALA 80 HB1 ALA 80 -8.928 13.527 3.637 623 HB2 ALA 80 HB2 ALA 80 -8.733 13.160 5.351 624 HB3 ALA 80 HB3 ALA 80 -10.316 13.613 4.723 625 H ASN 81 HN ASN 81 -7.744 11.191 5.756 626 HA ASN 81 HA ASN 81 -5.887 10.268 3.774 627 HB2 ASN 81 HB2 ASN 81 -5.723 10.273 6.788 628 HB3 ASN 81 HB1 ASN 81 -4.399 9.834 5.724 629 HD21 ASN 81 HD21 ASN 81 -5.102 11.895 3.751 630 HD22 ASN 81 HD22 ASN 81 -4.592 13.394 4.440 631 H HIS 82 HN HIS 82 -5.454 8.266 3.185 632 HA HIS 82 HA HIS 82 -7.219 6.186 4.047 633 HB2 HIS 82 HB2 HIS 82 -6.189 4.836 2.307 634 HB3 HIS 82 HB1 HIS 82 -6.599 6.431 1.706 635 HD2 HIS 82 HD2 HIS 82 -3.962 4.156 0.938 636 HE1 HIS 82 HE1 HIS 82 -1.879 7.827 1.306 637 HE2 HIS 82 HE2 HIS 82 -1.962 5.592 0.170 638 H SER 83 HN SER 83 -4.242 7.295 5.056 639 HA SER 83 HA SER 83 -2.908 4.988 5.875 640 HB2 SER 83 HB2 SER 83 -2.976 7.658 7.292 641 HB3 SER 83 HB1 SER 83 -1.724 6.425 7.435 642 HG SER 83 HG SER 83 -0.915 7.757 5.953 643 H SER 84 HN SER 84 -5.328 6.938 7.623 644 HA SER 84 HA SER 84 -5.363 5.013 9.812 645 HB2 SER 84 HB2 SER 84 -6.920 7.586 9.479 646 HB3 SER 84 HB1 SER 84 -6.743 6.646 10.964 647 HG SER 84 HG SER 84 -5.136 8.012 11.233 648 H TYR 85 HN TYR 85 -6.970 5.590 6.917 649 HA TYR 85 HA TYR 85 -9.643 4.992 7.492 650 HB2 TYR 85 HB2 TYR 85 -8.939 6.012 5.398 651 HB3 TYR 85 HB1 TYR 85 -8.039 4.566 4.966 652 HD1 TYR 85 HD1 TYR 85 -11.378 6.050 5.287 653 HD2 TYR 85 HD2 TYR 85 -9.173 2.619 4.087 654 HE1 TYR 85 HE1 TYR 85 -13.355 5.195 4.113 655 HE2 TYR 85 HE2 TYR 85 -11.141 1.750 2.909 656 HH TYR 85 HH TYR 85 -13.848 3.660 2.248 657 H LEU 86 HN LEU 86 -6.993 2.859 6.461 658 HA LEU 86 HA LEU 86 -8.565 0.539 6.258 659 HB2 LEU 86 HB2 LEU 86 -5.629 1.013 6.465 660 HB3 LEU 86 HB1 LEU 86 -6.248 -0.623 6.589 661 HG LEU 86 HG LEU 86 -7.395 -0.222 4.372 662 HD11 LEU 86 HD11 LEU 86 -7.266 2.215 4.365 663 HD12 LEU 86 HD12 LEU 86 -6.514 1.514 2.935 664 HD13 LEU 86 HD13 LEU 86 -5.511 2.120 4.250 665 HD21 LEU 86 HD21 LEU 86 -5.407 -1.594 4.590 666 HD22 LEU 86 HD22 LEU 86 -4.388 -0.161 4.449 667 HD23 LEU 86 HD23 LEU 86 -5.380 -0.678 3.084 668 H ARG 87 HN ARG 87 -6.768 1.861 8.963 669 HA ARG 87 HA ARG 87 -6.958 -0.351 10.681 670 HB2 ARG 87 HB2 ARG 87 -5.498 1.560 11.160 671 HB3 ARG 87 HB1 ARG 87 -6.903 2.584 11.419 672 HG2 ARG 87 HG2 ARG 87 -7.560 1.206 13.333 673 HG3 ARG 87 HG1 ARG 87 -6.145 0.183 13.080 674 HD2 ARG 87 HD2 ARG 87 -4.679 2.058 13.511 675 HD3 ARG 87 HD1 ARG 87 -6.060 3.141 13.662 676 HE ARG 87 HE ARG 87 -6.431 1.101 15.511 677 HH11 ARG 87 HH11 ARG 87 -4.063 3.624 14.925 678 HH12 ARG 87 HH12 ARG 87 -3.697 3.850 16.599 679 HH21 ARG 87 HH21 ARG 87 -5.936 1.391 17.730 680 HH22 ARG 87 HH22 ARG 87 -4.760 2.566 18.209 681 H ALA 88 HN ALA 88 -9.188 2.360 10.181 682 HA ALA 88 HA ALA 88 -11.040 1.396 12.173 683 HB1 ALA 88 HB1 ALA 88 -10.736 3.798 11.787 684 HB2 ALA 88 HB2 ALA 88 -12.410 3.303 11.541 685 HB3 ALA 88 HB3 ALA 88 -11.369 3.610 10.153 686 H LEU 89 HN LEU 89 -10.433 0.664 8.960 687 HA LEU 89 HA LEU 89 -13.038 0.284 7.930 688 HB2 LEU 89 HB2 LEU 89 -11.000 0.537 6.561 689 HB3 LEU 89 HB1 LEU 89 -10.463 -1.041 7.089 690 HG LEU 89 HG LEU 89 -12.443 -2.051 5.974 691 HD11 LEU 89 HD11 LEU 89 -12.898 0.740 4.935 692 HD12 LEU 89 HD12 LEU 89 -13.943 -0.142 6.050 693 HD13 LEU 89 HD13 LEU 89 -13.736 -0.715 4.395 694 HD21 LEU 89 HD21 LEU 89 -10.680 -0.358 4.209 695 HD22 LEU 89 HD22 LEU 89 -11.626 -1.753 3.686 696 HD23 LEU 89 HD23 LEU 89 -10.302 -1.965 4.832 697 H ARG 90 HN ARG 90 -11.526 -1.419 10.362 698 HA ARG 90 HA ARG 90 -12.239 -4.080 9.698 699 HB2 ARG 90 HB2 ARG 90 -11.852 -4.603 12.084 700 HB3 ARG 90 HB1 ARG 90 -10.527 -3.711 11.355 701 HG2 ARG 90 HG2 ARG 90 -11.263 -1.675 12.447 702 HG3 ARG 90 HG1 ARG 90 -12.665 -2.518 13.112 703 HD2 ARG 90 HD2 ARG 90 -9.801 -3.268 13.659 704 HD3 ARG 90 HD1 ARG 90 -10.787 -2.263 14.721 705 HE ARG 90 HE ARG 90 -12.318 -4.439 14.500 706 HH11 ARG 90 HH11 ARG 90 -8.871 -4.178 15.081 707 HH12 ARG 90 HH12 ARG 90 -8.790 -5.584 16.075 708 HH21 ARG 90 HH21 ARG 90 -12.227 -6.311 15.809 709 HH22 ARG 90 HH22 ARG 90 -10.722 -6.813 16.491 710 H GLU 91 HN GLU 91 -14.246 -4.599 9.231 711 HA GLU 91 HA GLU 91 -16.415 -3.839 11.084 712 HB2 GLU 91 HB2 GLU 91 -17.799 -4.649 8.962 713 HB3 GLU 91 HB1 GLU 91 -17.191 -3.007 9.091 714 HG2 GLU 91 HG2 GLU 91 -16.822 -3.934 6.870 715 HG3 GLU 91 HG1 GLU 91 -15.298 -3.566 7.673 716 H HIS 92 HN HIS 92 -14.380 -6.225 10.706 717 HA HIS 92 HA HIS 92 -16.376 -8.295 11.229 718 HB2 HIS 92 HB2 HIS 92 -14.899 -9.910 10.201 719 HB3 HIS 92 HB1 HIS 92 -15.236 -8.633 9.047 720 HD2 HIS 92 HD2 HIS 92 -12.989 -6.903 8.548 721 HE1 HIS 92 HE1 HIS 92 -10.171 -9.582 10.235 722 HE2 HIS 92 HE2 HIS 92 -10.520 -7.643 8.669 723 H GLY 93 HN GLY 93 -15.986 -9.626 12.960 724 HA2 GLY 93 HA2 GLY 93 -15.048 -10.377 14.908 725 HA3 GLY 93 HA1 GLY 93 -13.489 -9.905 14.244 726 H THR 94 HN THR 94 -16.170 -7.704 14.752 727 HA THR 94 HA THR 94 -14.743 -6.550 17.029 728 HB THR 94 HB THR 94 -15.826 -4.808 14.814 729 HG1 THR 94 HG1 THR 94 -14.029 -6.219 14.138 730 HG21 THR 94 HG21 THR 94 -15.538 -3.773 17.034 731 HG22 THR 94 HG22 THR 94 -14.387 -3.121 15.867 732 HG23 THR 94 HG23 THR 94 -13.857 -4.307 17.058 733 H ILE 95 HN ILE 95 -16.324 -7.260 18.412 734 HA ILE 95 HA ILE 95 -18.999 -6.099 18.048 735 HB ILE 95 HB ILE 95 -18.180 -8.576 19.588 736 HG12 ILE 95 HG12 ILE 95 -20.054 -8.291 17.235 737 HG13 ILE 95 HG11 ILE 95 -18.363 -8.764 17.095 738 HG21 ILE 95 HG21 ILE 95 -20.907 -7.297 19.368 739 HG22 ILE 95 HG22 ILE 95 -19.910 -7.392 20.821 740 HG23 ILE 95 HG23 ILE 95 -20.566 -8.866 20.102 741 HD11 ILE 95 HD11 ILE 95 -19.829 -10.692 16.999 742 HD12 ILE 95 HD12 ILE 95 -20.512 -10.271 18.570 743 HD13 ILE 95 HD13 ILE 95 -18.821 -10.753 18.446 744 H TYR 96 HN TYR 96 -19.597 -4.567 19.431 745 HA TYR 96 HA TYR 96 -18.284 -4.469 22.043 746 HB2 TYR 96 HB2 TYR 96 -17.144 -2.909 20.396 747 HB3 TYR 96 HB1 TYR 96 -18.654 -2.011 20.325 748 HD1 TYR 96 HD1 TYR 96 -15.832 -2.965 22.456 749 HD2 TYR 96 HD2 TYR 96 -19.328 -0.572 22.147 750 HE1 TYR 96 HE1 TYR 96 -15.144 -1.715 24.456 751 HE2 TYR 96 HE2 TYR 96 -18.653 0.686 24.144 752 HH TYR 96 HH TYR 96 -15.531 0.478 25.468 753 H CYS 97 HN CYS 97 -19.563 -3.781 23.676 754 HA CYS 97 HA CYS 97 -21.367 -3.128 24.859 755 HB2 CYS 97 HB2 CYS 97 -21.314 -1.117 23.351 756 HB3 CYS 97 HB1 CYS 97 -22.486 -1.926 22.320 757 HG CYS 97 HG CYS 97 -22.926 -0.638 25.432 758 H GLY 98 HN GLY 98 -21.684 -5.132 22.130 759 HA2 GLY 98 HA2 GLY 98 -23.079 -7.146 22.976 760 HA3 GLY 98 HA1 GLY 98 -24.381 -5.967 22.940 761 H ALA 99 HN ALA 99 -22.912 -4.785 20.489 762 HA ALA 99 HA ALA 99 -23.764 -6.830 18.567 763 HB1 ALA 99 HB1 ALA 99 -25.544 -5.167 18.776 764 HB2 ALA 99 HB2 ALA 99 -24.790 -5.112 17.181 765 HB3 ALA 99 HB3 ALA 99 -24.389 -3.888 18.388 766 H ALA 100 HN ALA 100 -22.799 -6.662 16.479 767 HA ALA 100 HA ALA 100 -20.058 -5.854 16.579 768 HB1 ALA 100 HB1 ALA 100 -19.943 -6.636 14.263 769 HB2 ALA 100 HB2 ALA 100 -21.699 -6.810 14.233 770 HB3 ALA 100 HB3 ALA 100 -20.733 -7.830 15.297 771 H ILE 101 HN ILE 101 -19.135 -4.048 15.815 772 HA ILE 101 HA ILE 101 -20.945 -2.026 14.793 773 HB ILE 101 HB ILE 101 -19.055 -0.442 15.061 774 HG12 ILE 101 HG12 ILE 101 -17.585 -2.769 16.332 775 HG13 ILE 101 HG11 ILE 101 -17.218 -2.097 14.747 776 HG21 ILE 101 HG21 ILE 101 -20.653 -0.722 16.869 777 HG22 ILE 101 HG22 ILE 101 -19.040 -0.426 17.518 778 HG23 ILE 101 HG23 ILE 101 -19.703 -2.060 17.521 779 HD11 ILE 101 HD11 ILE 101 -17.023 -0.639 17.373 780 HD12 ILE 101 HD12 ILE 101 -16.653 0.037 15.787 781 HD13 ILE 101 HD13 ILE 101 -15.676 -1.281 16.432 782 H GLY 102 HN GLY 102 -21.145 -1.659 12.735 783 HA2 GLY 102 HA2 GLY 102 -19.226 -2.947 10.937 784 HA3 GLY 102 HA1 GLY 102 -20.865 -2.468 10.522 785 H CYS 103 HN CYS 103 -17.652 -1.695 10.306 786 HA CYS 103 HA CYS 103 -18.286 1.061 9.530 787 HB2 CYS 103 HB2 CYS 103 -16.620 0.865 11.344 788 HB3 CYS 103 HB1 CYS 103 -15.618 -0.144 10.307 789 HG CYS 103 HG CYS 103 -14.201 1.950 9.869 790 H VAL 104 HN VAL 104 -18.739 0.980 7.434 791 HA VAL 104 HA VAL 104 -16.805 -0.299 5.629 792 HB VAL 104 HB VAL 104 -18.768 -0.922 4.143 793 HG11 VAL 104 HG11 VAL 104 -17.597 -2.598 5.461 794 HG12 VAL 104 HG12 VAL 104 -19.324 -2.954 5.382 795 HG13 VAL 104 HG13 VAL 104 -18.636 -2.249 6.845 796 HG21 VAL 104 HG21 VAL 104 -20.339 -0.376 6.659 797 HG22 VAL 104 HG22 VAL 104 -20.965 -1.136 5.193 798 HG23 VAL 104 HG23 VAL 104 -20.432 0.544 5.156 799 HA PRO 105 HA PRO 105 -16.855 3.429 3.261 800 HB2 PRO 105 HB2 PRO 105 -17.314 2.493 0.687 801 HB3 PRO 105 HB1 PRO 105 -15.738 2.537 1.481 802 HG2 PRO 105 HG2 PRO 105 -17.650 0.260 1.191 803 HG3 PRO 105 HG1 PRO 105 -15.881 0.259 1.068 804 HD2 PRO 105 HD2 PRO 105 -17.101 -0.634 3.267 805 HD3 PRO 105 HD1 PRO 105 -15.597 0.295 3.373 806 H TYR 106 HN TYR 106 -18.218 4.910 2.281 807 HA TYR 106 HA TYR 106 -20.687 5.217 3.181 808 HB2 TYR 106 HB2 TYR 106 -19.460 6.953 1.989 809 HB3 TYR 106 HB1 TYR 106 -19.787 6.149 0.460 810 HD1 TYR 106 HD1 TYR 106 -21.417 7.850 3.324 811 HD2 TYR 106 HD2 TYR 106 -21.768 6.603 -0.725 812 HE1 TYR 106 HE1 TYR 106 -23.487 9.146 3.121 813 HE2 TYR 106 HE2 TYR 106 -23.856 7.889 -0.945 814 HH TYR 106 HH TYR 106 -25.645 8.758 0.538 815 H LYS 107 HN LYS 107 -20.413 4.157 -0.242 816 HA LYS 107 HA LYS 107 -21.766 2.873 -1.557 817 HB2 LYS 107 HB2 LYS 107 -22.491 1.677 1.109 818 HB3 LYS 107 HB1 LYS 107 -23.146 1.075 -0.405 819 HG2 LYS 107 HG2 LYS 107 -20.910 0.521 -1.168 820 HG3 LYS 107 HG1 LYS 107 -20.224 1.180 0.319 821 HD2 LYS 107 HD2 LYS 107 -21.434 -0.487 1.631 822 HD3 LYS 107 HD1 LYS 107 -22.169 -1.126 0.160 823 HE2 LYS 107 HE2 LYS 107 -19.200 -1.046 0.664 824 HE3 LYS 107 HE1 LYS 107 -20.218 -2.441 1.021 825 HZ1 LYS 107 HZ1 LYS 107 -20.783 -2.620 -1.289 826 HZ2 LYS 107 HZ2 LYS 107 -19.106 -2.589 -1.146 827 HZ3 LYS 107 HZ3 LYS 107 -19.933 -1.213 -1.669 828 H HIS 108 HN HIS 108 -23.493 3.452 -2.662 829 HA HIS 108 HA HIS 108 -25.340 5.346 -1.622 830 HB2 HIS 108 HB2 HIS 108 -25.189 3.842 -4.220 831 HB3 HIS 108 HB1 HIS 108 -26.556 4.886 -3.842 832 HD2 HIS 108 HD2 HIS 108 -22.622 5.478 -3.778 833 HE1 HIS 108 HE1 HIS 108 -24.565 8.825 -5.502 834 HE2 HIS 108 HE2 HIS 108 -22.358 7.708 -5.048 835 H GLU 109 HN GLU 109 -25.616 1.902 -2.397 836 HA GLU 109 HA GLU 109 -28.402 1.740 -1.844 837 HB2 GLU 109 HB2 GLU 109 -27.097 0.126 -3.255 838 HB3 GLU 109 HB1 GLU 109 -26.400 -0.519 -1.776 839 HG2 GLU 109 HG2 GLU 109 -28.205 -1.940 -2.464 840 HG3 GLU 109 HG1 GLU 109 -28.683 -1.076 -0.999 841 H LEU 110 HN LEU 110 -25.522 1.371 0.090 842 HA LEU 110 HA LEU 110 -26.589 0.004 2.285 843 HB2 LEU 110 HB2 LEU 110 -24.191 0.287 1.894 844 HB3 LEU 110 HB1 LEU 110 -24.341 2.007 2.187 845 HG LEU 110 HG LEU 110 -25.079 1.455 4.524 846 HD11 LEU 110 HD11 LEU 110 -24.501 -0.764 5.388 847 HD12 LEU 110 HD12 LEU 110 -24.130 -1.298 3.750 848 HD13 LEU 110 HD13 LEU 110 -25.778 -0.839 4.176 849 HD21 LEU 110 HD21 LEU 110 -22.822 2.215 4.032 850 HD22 LEU 110 HD22 LEU 110 -22.330 0.557 3.680 851 HD23 LEU 110 HD23 LEU 110 -22.809 1.005 5.316 852 H ILE 111 HN ILE 111 -26.348 3.465 1.584 853 HA ILE 111 HA ILE 111 -27.290 4.403 4.050 854 HB ILE 111 HB ILE 111 -27.468 5.603 1.278 855 HG12 ILE 111 HG12 ILE 111 -25.201 5.254 2.158 856 HG13 ILE 111 HG11 ILE 111 -25.575 6.964 2.005 857 HG21 ILE 111 HG21 ILE 111 -27.951 7.751 2.355 858 HG22 ILE 111 HG22 ILE 111 -28.009 6.955 3.926 859 HG23 ILE 111 HG23 ILE 111 -29.218 6.572 2.700 860 HD11 ILE 111 HD11 ILE 111 -26.026 7.046 4.425 861 HD12 ILE 111 HD12 ILE 111 -24.378 6.558 4.048 862 HD13 ILE 111 HD13 ILE 111 -25.558 5.349 4.551 863 H SER 112 HN SER 112 -28.981 3.545 1.060 864 HA SER 112 HA SER 112 -31.561 4.239 1.877 865 HB2 SER 112 HB2 SER 112 -30.719 2.056 -0.037 866 HB3 SER 112 HB1 SER 112 -32.324 2.783 0.062 867 HG SER 112 HG SER 112 -30.608 3.594 -1.534 868 H GLU 113 HN GLU 113 -29.724 1.223 2.275 869 HA GLU 113 HA GLU 113 -31.842 -0.313 3.336 870 HB2 GLU 113 HB2 GLU 113 -28.864 -0.578 3.771 871 HB3 GLU 113 HB1 GLU 113 -30.054 -1.790 4.222 872 HG2 GLU 113 HG2 GLU 113 -30.692 -2.033 1.868 873 HG3 GLU 113 HG1 GLU 113 -29.479 -0.837 1.426 874 H LEU 114 HN LEU 114 -29.362 1.665 4.952 875 HA LEU 114 HA LEU 114 -30.316 1.096 7.556 876 HB2 LEU 114 HB2 LEU 114 -28.387 3.051 6.391 877 HB3 LEU 114 HB1 LEU 114 -28.893 3.218 8.061 878 HG LEU 114 HG LEU 114 -28.081 0.916 8.482 879 HD11 LEU 114 HD11 LEU 114 -26.972 1.098 5.704 880 HD12 LEU 114 HD12 LEU 114 -28.209 -0.019 6.279 881 HD13 LEU 114 HD13 LEU 114 -26.560 -0.136 6.896 882 HD21 LEU 114 HD21 LEU 114 -26.703 2.851 9.013 883 HD22 LEU 114 HD22 LEU 114 -26.030 2.823 7.384 884 HD23 LEU 114 HD23 LEU 114 -25.708 1.493 8.495 885 H SER 115 HN SER 115 -31.555 3.024 5.129 886 HA SER 115 HA SER 115 -32.743 4.994 6.891 887 HB2 SER 115 HB2 SER 115 -33.147 4.528 3.923 888 HB3 SER 115 HB1 SER 115 -33.802 5.881 4.847 889 HG SER 115 HG SER 115 -31.036 5.275 4.581 890 H ARG 116 HN ARG 116 -33.324 1.863 6.410 891 HA ARG 116 HA ARG 116 -36.071 1.662 5.852 892 HB2 ARG 116 HB2 ARG 116 -35.944 -0.589 6.737 893 HB3 ARG 116 HB1 ARG 116 -34.520 -0.251 5.765 894 HG2 ARG 116 HG2 ARG 116 -33.218 0.129 7.802 895 HG3 ARG 116 HG1 ARG 116 -34.649 -0.217 8.781 896 HD2 ARG 116 HD2 ARG 116 -33.377 -2.130 6.825 897 HD3 ARG 116 HD1 ARG 116 -33.110 -2.148 8.566 898 HE ARG 116 HE ARG 116 -35.808 -2.299 8.336 899 HH11 ARG 116 HH11 ARG 116 -33.160 -4.173 6.988 900 HH12 ARG 116 HH12 ARG 116 -34.071 -5.640 6.928 901 HH21 ARG 116 HH21 ARG 116 -37.008 -4.257 8.250 902 HH22 ARG 116 HH22 ARG 116 -36.261 -5.692 7.643 903 H GLU 117 HN GLU 117 -34.538 2.892 8.615 904 HA GLU 117 HA GLU 117 -36.632 2.227 10.462 905 HB2 GLU 117 HB2 GLU 117 -34.366 4.212 10.677 906 HB3 GLU 117 HB1 GLU 117 -35.474 3.826 11.987 907 HG2 GLU 117 HG2 GLU 117 -33.592 1.904 10.639 908 HG3 GLU 117 HG1 GLU 117 -33.368 2.642 12.225 909 H GLY 118 HN GLY 118 -36.453 4.247 7.950 910 HA2 GLY 118 HA2 GLY 118 -38.686 5.865 8.967 911 HA3 GLY 118 HA1 GLY 118 -37.364 6.639 8.098 912 H HIS 119 HN HIS 119 -40.054 4.434 7.838 913 HA HIS 119 HA HIS 119 -39.672 3.908 5.048 914 HB2 HIS 119 HB2 HIS 119 -42.014 3.376 6.880 915 HB3 HIS 119 HB1 HIS 119 -41.975 2.898 5.186 916 HD2 HIS 119 HD2 HIS 119 -40.618 1.734 8.619 917 HE1 HIS 119 HE1 HIS 119 -39.228 -0.989 5.683 918 HE2 HIS 119 HE2 HIS 119 -39.216 -0.381 8.118 919 H HIS 120 HN HIS 120 -41.080 4.502 3.350 920 HA HIS 120 HA HIS 120 -41.718 7.275 3.316 921 HB2 HIS 120 HB2 HIS 120 -42.502 6.830 1.007 922 HB3 HIS 120 HB1 HIS 120 -40.902 6.163 1.310 923 HD2 HIS 120 HD2 HIS 120 -44.409 4.999 0.227 924 HE1 HIS 120 HE1 HIS 120 -42.015 1.534 0.722 925 HE2 HIS 120 HE2 HIS 120 -44.305 2.420 0.206 926 H HIS 121 HN HIS 121 -43.907 8.001 2.383 927 HA HIS 121 HA HIS 121 -45.876 7.182 4.309 928 HB2 HIS 121 HB2 HIS 121 -45.517 9.561 3.702 929 HB3 HIS 121 HB1 HIS 121 -46.136 9.216 2.092 930 HD2 HIS 121 HD2 HIS 121 -47.444 9.733 5.724 931 HE1 HIS 121 HE1 HIS 121 -50.791 9.383 3.149 932 HE2 HIS 121 HE2 HIS 121 -49.982 10.110 5.414 933 H HIS 122 HN HIS 122 -45.822 7.336 0.738 934 HA HIS 122 HA HIS 122 -47.492 4.977 0.620 935 HB2 HIS 122 HB2 HIS 122 -49.047 6.981 0.920 936 HB3 HIS 122 HB1 HIS 122 -48.499 7.528 -0.656 937 HD2 HIS 122 HD2 HIS 122 -50.870 4.882 0.900 938 HE1 HIS 122 HE1 HIS 122 -51.247 4.653 -3.313 939 HE2 HIS 122 HE2 HIS 122 -52.325 4.163 -1.103 940 H HIS 123 HN HIS 123 -47.576 4.062 -1.490 941 HA HIS 123 HA HIS 123 -45.269 4.404 -3.061 942 HB2 HIS 123 HB2 HIS 123 -47.867 2.974 -3.550 943 HB3 HIS 123 HB1 HIS 123 -46.625 3.052 -4.794 944 HD2 HIS 123 HD2 HIS 123 -44.456 1.390 -4.409 945 HE1 HIS 123 HE1 HIS 123 -45.820 -0.347 -0.796 946 HE2 HIS 123 HE2 HIS 123 -44.091 -0.431 -2.616 947 H HIS 124 HN HIS 124 -48.454 5.811 -3.291 948 HA HIS 124 HA HIS 124 -47.453 7.551 -5.428 949 HB2 HIS 124 HB2 HIS 124 -50.215 6.301 -5.322 950 HB3 HIS 124 HB1 HIS 124 -49.691 7.510 -6.491 951 HD2 HIS 124 HD2 HIS 124 -47.808 6.537 -8.417 952 HE1 HIS 124 HE1 HIS 124 -48.573 2.457 -7.554 953 HE2 HIS 124 HE2 HIS 124 -47.275 4.073 -8.970 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -13.788 1.232 -21.779 2 H2 MET 1 HT2 MET 1 -14.183 -0.095 -20.807 3 H3 MET 1 HT3 MET 1 -12.999 0.997 -20.300 4 HA MET 1 HA MET 1 -14.597 2.722 -20.046 5 HB2 MET 1 HB2 MET 1 -16.501 0.633 -21.106 6 HB3 MET 1 HB1 MET 1 -17.046 2.080 -20.275 7 HG2 MET 1 HG2 MET 1 -17.224 2.390 -22.650 8 HG3 MET 1 HG1 MET 1 -15.985 3.462 -22.008 9 HE1 MET 1 HE1 MET 1 -14.637 2.587 -25.581 10 HE2 MET 1 HE2 MET 1 -15.125 3.873 -24.479 11 HE3 MET 1 HE3 MET 1 -16.332 2.765 -25.129 12 H SER 2 HN SER 2 -15.749 2.984 -18.095 13 HA SER 2 HA SER 2 -16.232 2.610 -15.935 14 HB2 SER 2 HB2 SER 2 -17.774 0.867 -16.767 15 HB3 SER 2 HB1 SER 2 -16.463 -0.310 -16.720 16 HG SER 2 HG SER 2 -16.853 -0.573 -14.680 17 H LEU 3 HN LEU 3 -14.321 3.259 -15.084 18 HA LEU 3 HA LEU 3 -12.157 1.346 -14.808 19 HB2 LEU 3 HB2 LEU 3 -12.386 4.213 -13.884 20 HB3 LEU 3 HB1 LEU 3 -10.946 3.220 -13.758 21 HG LEU 3 HG LEU 3 -12.250 4.111 -16.329 22 HD11 LEU 3 HD11 LEU 3 -10.256 5.473 -16.626 23 HD12 LEU 3 HD12 LEU 3 -9.659 4.953 -15.051 24 HD13 LEU 3 HD13 LEU 3 -11.124 5.929 -15.161 25 HD21 LEU 3 HD21 LEU 3 -9.762 2.477 -15.836 26 HD22 LEU 3 HD22 LEU 3 -10.213 3.175 -17.388 27 HD23 LEU 3 HD23 LEU 3 -11.238 1.947 -16.648 28 H GLY 4 HN GLY 4 -14.856 2.447 -13.091 29 HA2 GLY 4 HA2 GLY 4 -15.805 1.538 -11.195 30 HA3 GLY 4 HA1 GLY 4 -14.377 0.541 -10.994 31 H SER 5 HN SER 5 -12.365 2.012 -10.454 32 HA SER 5 HA SER 5 -11.271 3.227 -8.890 33 HB2 SER 5 HB2 SER 5 -13.788 4.773 -8.265 34 HB3 SER 5 HB1 SER 5 -12.112 5.296 -8.134 35 HG SER 5 HG SER 5 -13.775 5.245 -10.345 36 H GLU 6 HN GLU 6 -11.165 3.591 -6.485 37 HA GLU 6 HA GLU 6 -12.403 1.308 -5.239 38 HB2 GLU 6 HB2 GLU 6 -10.312 3.206 -4.211 39 HB3 GLU 6 HB1 GLU 6 -10.882 1.781 -3.364 40 HG2 GLU 6 HG2 GLU 6 -9.490 1.790 -6.030 41 HG3 GLU 6 HG1 GLU 6 -8.761 1.372 -4.481 42 H SER 7 HN SER 7 -12.441 4.735 -4.934 43 HA SER 7 HA SER 7 -14.934 4.783 -3.565 44 HB2 SER 7 HB2 SER 7 -12.461 5.354 -1.904 45 HB3 SER 7 HB1 SER 7 -14.078 5.870 -1.439 46 HG SER 7 HG SER 7 -13.899 3.204 -2.096 47 H GLU 8 HN GLU 8 -15.600 6.334 -4.962 48 HA GLU 8 HA GLU 8 -13.990 8.660 -5.449 49 HB2 GLU 8 HB2 GLU 8 -16.778 7.922 -6.321 50 HB3 GLU 8 HB1 GLU 8 -15.985 9.430 -6.754 51 HG2 GLU 8 HG2 GLU 8 -14.910 6.704 -7.410 52 HG3 GLU 8 HG1 GLU 8 -15.847 7.709 -8.516 53 H THR 9 HN THR 9 -15.845 7.710 -3.007 54 HA THR 9 HA THR 9 -17.166 10.154 -2.284 55 HB THR 9 HB THR 9 -17.488 8.924 -0.088 56 HG1 THR 9 HG1 THR 9 -16.987 6.602 -0.315 57 HG21 THR 9 HG21 THR 9 -18.328 7.590 -2.656 58 HG22 THR 9 HG22 THR 9 -19.209 8.845 -1.772 59 HG23 THR 9 HG23 THR 9 -19.012 7.235 -1.071 60 H GLY 10 HN GLY 10 -14.050 8.814 -1.964 61 HA2 GLY 10 HA2 GLY 10 -12.225 10.190 -1.277 62 HA3 GLY 10 HA1 GLY 10 -13.303 10.972 -0.125 63 H ASN 11 HN ASN 11 -12.834 10.451 1.879 64 HA ASN 11 HA ASN 11 -11.939 7.704 2.409 65 HB2 ASN 11 HB2 ASN 11 -11.121 10.223 3.892 66 HB3 ASN 11 HB1 ASN 11 -10.605 8.591 4.291 67 HD21 ASN 11 HD21 ASN 11 -10.186 11.296 2.206 68 HD22 ASN 11 HD22 ASN 11 -8.796 10.705 1.364 69 H ALA 12 HN ALA 12 -14.625 8.965 2.445 70 HA ALA 12 HA ALA 12 -15.346 9.011 5.247 71 HB1 ALA 12 HB1 ALA 12 -16.362 10.596 3.649 72 HB2 ALA 12 HB2 ALA 12 -17.557 9.614 4.492 73 HB3 ALA 12 HB3 ALA 12 -17.124 9.238 2.823 74 H VAL 13 HN VAL 13 -16.206 7.390 6.352 75 HA VAL 13 HA VAL 13 -17.225 5.037 4.906 76 HB VAL 13 HB VAL 13 -16.287 3.584 6.673 77 HG11 VAL 13 HG11 VAL 13 -15.043 3.933 4.597 78 HG12 VAL 13 HG12 VAL 13 -13.970 3.633 5.962 79 HG13 VAL 13 HG13 VAL 13 -14.183 5.275 5.346 80 HG21 VAL 13 HG21 VAL 13 -14.613 4.450 8.240 81 HG22 VAL 13 HG22 VAL 13 -16.174 5.234 8.480 82 HG23 VAL 13 HG23 VAL 13 -14.886 6.082 7.628 83 H VAL 14 HN VAL 14 -18.687 3.710 6.294 84 HA VAL 14 HA VAL 14 -20.109 5.462 8.188 85 HB VAL 14 HB VAL 14 -21.300 3.268 6.466 86 HG11 VAL 14 HG11 VAL 14 -22.613 5.252 8.319 87 HG12 VAL 14 HG12 VAL 14 -22.468 3.516 8.591 88 HG13 VAL 14 HG13 VAL 14 -23.464 4.123 7.268 89 HG21 VAL 14 HG21 VAL 14 -20.619 5.255 5.170 90 HG22 VAL 14 HG22 VAL 14 -21.617 6.264 6.220 91 HG23 VAL 14 HG23 VAL 14 -22.367 5.039 5.197 92 H VAL 15 HN VAL 15 -19.963 4.805 10.218 93 HA VAL 15 HA VAL 15 -19.507 1.947 10.751 94 HB VAL 15 HB VAL 15 -19.216 4.232 12.725 95 HG11 VAL 15 HG11 VAL 15 -18.073 2.681 14.108 96 HG12 VAL 15 HG12 VAL 15 -17.995 1.488 12.814 97 HG13 VAL 15 HG13 VAL 15 -19.544 1.869 13.559 98 HG21 VAL 15 HG21 VAL 15 -17.616 4.601 10.937 99 HG22 VAL 15 HG22 VAL 15 -17.074 2.925 11.058 100 HG23 VAL 15 HG23 VAL 15 -16.791 4.038 12.393 101 H PHE 16 HN PHE 16 -21.102 0.793 11.664 102 HA PHE 16 HA PHE 16 -23.272 2.199 13.034 103 HB2 PHE 16 HB2 PHE 16 -24.938 0.738 11.858 104 HB3 PHE 16 HB1 PHE 16 -24.130 1.890 10.805 105 HD1 PHE 16 HD1 PHE 16 -24.378 -1.669 11.731 106 HD2 PHE 16 HD2 PHE 16 -22.730 1.163 9.007 107 HE1 PHE 16 HE1 PHE 16 -23.740 -3.495 10.213 108 HE2 PHE 16 HE2 PHE 16 -22.088 -0.665 7.488 109 HZ PHE 16 HZ PHE 16 -22.593 -2.998 8.094 110 H GLY 17 HN GLY 17 -24.722 0.651 14.229 111 HA2 GLY 17 HA2 GLY 17 -24.894 -1.669 15.093 112 HA3 GLY 17 HA1 GLY 17 -23.141 -1.650 15.219 113 H TYR 18 HN TYR 18 -23.875 1.333 16.069 114 HA TYR 18 HA TYR 18 -24.193 0.647 18.913 115 HB2 TYR 18 HB2 TYR 18 -22.923 2.759 19.359 116 HB3 TYR 18 HB1 TYR 18 -22.000 1.453 18.629 117 HD1 TYR 18 HD1 TYR 18 -23.451 4.784 18.103 118 HD2 TYR 18 HD2 TYR 18 -21.143 1.648 16.401 119 HE1 TYR 18 HE1 TYR 18 -22.716 6.298 16.302 120 HE2 TYR 18 HE2 TYR 18 -20.412 3.148 14.615 121 HH TYR 18 HH TYR 18 -21.115 5.127 13.519 122 H ARG 19 HN ARG 19 -24.815 2.711 20.175 123 HA ARG 19 HA ARG 19 -27.191 3.845 18.870 124 HB2 ARG 19 HB2 ARG 19 -27.924 2.161 20.408 125 HB3 ARG 19 HB1 ARG 19 -26.857 2.761 21.669 126 HG2 ARG 19 HG2 ARG 19 -28.170 4.805 21.809 127 HG3 ARG 19 HG1 ARG 19 -29.235 4.216 20.540 128 HD2 ARG 19 HD2 ARG 19 -29.896 2.343 21.957 129 HD3 ARG 19 HD1 ARG 19 -28.789 2.899 23.217 130 HE ARG 19 HE ARG 19 -30.830 4.764 22.321 131 HH11 ARG 19 HH11 ARG 19 -29.829 2.421 24.735 132 HH12 ARG 19 HH12 ARG 19 -30.829 3.078 25.979 133 HH21 ARG 19 HH21 ARG 19 -32.162 5.636 23.953 134 HH22 ARG 19 HH22 ARG 19 -32.175 4.927 25.531 135 H GLU 20 HN GLU 20 -27.801 5.930 19.476 136 HA GLU 20 HA GLU 20 -25.768 7.758 20.168 137 HB2 GLU 20 HB2 GLU 20 -27.720 8.301 18.750 138 HB3 GLU 20 HB1 GLU 20 -28.766 8.115 20.147 139 HG2 GLU 20 HG2 GLU 20 -27.598 9.999 21.229 140 HG3 GLU 20 HG1 GLU 20 -26.636 10.212 19.765 141 H ALA 21 HN ALA 21 -25.068 6.719 22.154 142 HA ALA 21 HA ALA 21 -25.922 8.068 24.485 143 HB1 ALA 21 HB1 ALA 21 -26.666 5.142 24.392 144 HB2 ALA 21 HB2 ALA 21 -27.808 6.485 24.364 145 HB3 ALA 21 HB3 ALA 21 -26.810 6.205 25.791 146 H ILE 22 HN ILE 22 -24.177 5.457 22.985 147 HA ILE 22 HA ILE 22 -22.403 5.040 25.247 148 HB ILE 22 HB ILE 22 -21.325 3.362 23.846 149 HG12 ILE 22 HG12 ILE 22 -23.240 3.778 21.598 150 HG13 ILE 22 HG11 ILE 22 -21.889 4.901 21.718 151 HG21 ILE 22 HG21 ILE 22 -24.318 3.179 23.555 152 HG22 ILE 22 HG22 ILE 22 -23.422 2.796 25.023 153 HG23 ILE 22 HG23 ILE 22 -23.175 1.834 23.564 154 HD11 ILE 22 HD11 ILE 22 -21.135 3.251 20.302 155 HD12 ILE 22 HD12 ILE 22 -21.852 1.953 21.263 156 HD13 ILE 22 HD13 ILE 22 -20.433 2.814 21.858 157 H THR 23 HN THR 23 -22.331 7.714 24.158 158 HA THR 23 HA THR 23 -20.448 8.107 22.139 159 HB THR 23 HB THR 23 -20.921 10.033 24.404 160 HG1 THR 23 HG1 THR 23 -22.711 10.760 23.032 161 HG21 THR 23 HG21 THR 23 -20.156 10.264 21.505 162 HG22 THR 23 HG22 THR 23 -19.259 10.834 22.912 163 HG23 THR 23 HG23 THR 23 -20.751 11.636 22.425 164 H LYS 24 HN LYS 24 -19.999 8.368 25.669 165 HA LYS 24 HA LYS 24 -17.237 8.911 25.525 166 HB2 LYS 24 HB2 LYS 24 -19.122 8.147 27.686 167 HB3 LYS 24 HB1 LYS 24 -17.412 7.924 27.995 168 HG2 LYS 24 HG2 LYS 24 -18.308 10.080 28.810 169 HG3 LYS 24 HG1 LYS 24 -16.975 10.254 27.676 170 HD2 LYS 24 HD2 LYS 24 -18.490 10.858 25.895 171 HD3 LYS 24 HD1 LYS 24 -19.893 10.505 26.914 172 HE2 LYS 24 HE2 LYS 24 -19.417 12.917 26.747 173 HE3 LYS 24 HE1 LYS 24 -19.309 12.313 28.401 174 HZ1 LYS 24 HZ1 LYS 24 -16.977 12.714 26.599 175 HZ2 LYS 24 HZ2 LYS 24 -16.929 12.297 28.243 176 HZ3 LYS 24 HZ3 LYS 24 -17.478 13.821 27.777 177 H GLN 25 HN GLN 25 -19.031 5.954 25.654 178 HA GLN 25 HA GLN 25 -16.969 4.219 26.438 179 HB2 GLN 25 HB2 GLN 25 -19.424 3.704 24.771 180 HB3 GLN 25 HB1 GLN 25 -18.366 2.447 25.390 181 HG2 GLN 25 HG2 GLN 25 -18.887 3.109 27.656 182 HG3 GLN 25 HG1 GLN 25 -19.927 4.401 27.055 183 HE21 GLN 25 HE21 GLN 25 -21.693 3.500 28.139 184 HE22 GLN 25 HE22 GLN 25 -22.501 2.100 27.529 185 H ILE 26 HN ILE 26 -18.370 4.472 23.168 186 HA ILE 26 HA ILE 26 -16.260 2.987 22.043 187 HB ILE 26 HB ILE 26 -18.657 3.077 21.247 188 HG12 ILE 26 HG12 ILE 26 -16.644 3.594 19.079 189 HG13 ILE 26 HG11 ILE 26 -16.683 2.127 20.054 190 HG21 ILE 26 HG21 ILE 26 -19.266 4.798 19.628 191 HG22 ILE 26 HG22 ILE 26 -17.729 5.614 19.900 192 HG23 ILE 26 HG23 ILE 26 -18.915 5.518 21.201 193 HD11 ILE 26 HD11 ILE 26 -17.810 1.817 17.922 194 HD12 ILE 26 HD12 ILE 26 -18.927 3.127 18.319 195 HD13 ILE 26 HD13 ILE 26 -18.927 1.644 19.278 196 H LEU 27 HN LEU 27 -16.824 6.409 22.427 197 HA LEU 27 HA LEU 27 -15.081 7.302 20.416 198 HB2 LEU 27 HB2 LEU 27 -16.789 8.717 21.512 199 HB3 LEU 27 HB1 LEU 27 -15.820 8.722 22.968 200 HG LEU 27 HG LEU 27 -14.031 9.913 21.775 201 HD11 LEU 27 HD11 LEU 27 -14.502 10.844 19.542 202 HD12 LEU 27 HD12 LEU 27 -15.976 9.879 19.467 203 HD13 LEU 27 HD13 LEU 27 -14.404 9.086 19.526 204 HD21 LEU 27 HD21 LEU 27 -15.214 12.037 21.499 205 HD22 LEU 27 HD22 LEU 27 -15.683 11.192 22.973 206 HD23 LEU 27 HD23 LEU 27 -16.752 11.177 21.568 207 H ALA 28 HN ALA 28 -14.495 6.273 23.720 208 HA ALA 28 HA ALA 28 -11.964 7.315 24.139 209 HB1 ALA 28 HB1 ALA 28 -11.606 5.472 25.694 210 HB2 ALA 28 HB2 ALA 28 -12.944 4.583 24.971 211 HB3 ALA 28 HB3 ALA 28 -13.254 6.084 25.841 212 H TYR 29 HN TYR 29 -12.941 4.699 22.048 213 HA TYR 29 HA TYR 29 -10.180 3.922 21.528 214 HB2 TYR 29 HB2 TYR 29 -11.849 2.143 21.775 215 HB3 TYR 29 HB1 TYR 29 -12.765 2.791 20.422 216 HD1 TYR 29 HD1 TYR 29 -9.747 0.937 21.399 217 HD2 TYR 29 HD2 TYR 29 -12.021 2.470 18.146 218 HE1 TYR 29 HE1 TYR 29 -8.454 -0.458 19.835 219 HE2 TYR 29 HE2 TYR 29 -10.738 1.093 16.577 220 HH TYR 29 HH TYR 29 -8.740 -1.449 17.583 221 H PHE 30 HN PHE 30 -12.947 5.335 19.806 222 HA PHE 30 HA PHE 30 -11.402 5.480 17.355 223 HB2 PHE 30 HB2 PHE 30 -14.285 5.994 17.962 224 HB3 PHE 30 HB1 PHE 30 -13.568 6.440 16.418 225 HD1 PHE 30 HD2 PHE 30 -12.790 4.745 14.867 226 HD2 PHE 30 HD1 PHE 30 -14.681 3.686 18.529 227 HE1 PHE 30 HE2 PHE 30 -13.137 2.462 14.015 228 HE2 PHE 30 HE1 PHE 30 -15.033 1.399 17.682 229 HZ PHE 30 HZ PHE 30 -14.260 0.786 15.425 230 H ALA 31 HN ALA 31 -11.794 7.558 19.937 231 HA ALA 31 HA ALA 31 -12.139 10.063 18.749 232 HB1 ALA 31 HB1 ALA 31 -10.438 9.508 21.162 233 HB2 ALA 31 HB2 ALA 31 -12.199 9.613 21.183 234 HB3 ALA 31 HB3 ALA 31 -11.236 11.024 20.740 235 H GLN 32 HN GLN 32 -9.354 8.017 18.843 236 HA GLN 32 HA GLN 32 -7.432 10.014 18.175 237 HB2 GLN 32 HB2 GLN 32 -7.345 7.019 17.759 238 HB3 GLN 32 HB1 GLN 32 -5.968 8.099 17.613 239 HG2 GLN 32 HG2 GLN 32 -7.543 7.575 20.125 240 HG3 GLN 32 HG1 GLN 32 -5.960 6.911 19.733 241 HE21 GLN 32 HE21 GLN 32 -6.790 8.559 21.979 242 HE22 GLN 32 HE22 GLN 32 -5.791 9.968 21.941 243 H PHE 33 HN PHE 33 -9.877 8.421 16.465 244 HA PHE 33 HA PHE 33 -8.616 8.914 13.871 245 HB2 PHE 33 HB2 PHE 33 -11.046 7.267 14.595 246 HB3 PHE 33 HB1 PHE 33 -10.427 7.479 12.967 247 HD1 PHE 33 HD2 PHE 33 -8.326 6.437 12.291 248 HD2 PHE 33 HD1 PHE 33 -9.959 5.803 16.161 249 HE1 PHE 33 HE2 PHE 33 -6.838 4.503 12.597 250 HE2 PHE 33 HE1 PHE 33 -8.478 3.866 16.479 251 HZ PHE 33 HZ PHE 33 -6.914 3.212 14.695 252 H GLY 34 HN GLY 34 -11.579 9.560 15.741 253 HA2 GLY 34 HA2 GLY 34 -11.909 12.122 14.592 254 HA3 GLY 34 HA1 GLY 34 -12.980 10.979 13.797 255 H GLU 35 HN GLU 35 -14.311 12.858 14.873 256 HA GLU 35 HA GLU 35 -15.024 12.327 17.659 257 HB2 GLU 35 HB2 GLU 35 -15.911 14.427 15.674 258 HB3 GLU 35 HB1 GLU 35 -16.500 14.313 17.328 259 HG2 GLU 35 HG2 GLU 35 -14.339 14.804 18.208 260 HG3 GLU 35 HG1 GLU 35 -13.605 14.688 16.609 261 H ILE 36 HN ILE 36 -16.912 11.282 18.250 262 HA ILE 36 HA ILE 36 -18.853 10.736 16.107 263 HB ILE 36 HB ILE 36 -18.440 8.708 18.332 264 HG12 ILE 36 HG12 ILE 36 -16.998 8.777 15.662 265 HG13 ILE 36 HG11 ILE 36 -16.238 9.046 17.224 266 HG21 ILE 36 HG21 ILE 36 -19.397 8.444 15.485 267 HG22 ILE 36 HG22 ILE 36 -20.454 8.669 16.873 268 HG23 ILE 36 HG23 ILE 36 -19.462 7.216 16.750 269 HD11 ILE 36 HD11 ILE 36 -16.851 6.760 17.885 270 HD12 ILE 36 HD12 ILE 36 -15.806 6.812 16.464 271 HD13 ILE 36 HD13 ILE 36 -17.537 6.511 16.273 272 H LEU 37 HN LEU 37 -20.893 11.266 16.559 273 HA LEU 37 HA LEU 37 -22.797 11.812 17.612 274 HB2 LEU 37 HB2 LEU 37 -21.376 10.555 19.924 275 HB3 LEU 37 HB1 LEU 37 -22.826 11.484 20.238 276 HG LEU 37 HG LEU 37 -24.133 9.992 18.787 277 HD11 LEU 37 HD11 LEU 37 -22.386 9.379 17.201 278 HD12 LEU 37 HD12 LEU 37 -23.188 7.959 17.878 279 HD13 LEU 37 HD13 LEU 37 -21.590 8.426 18.457 280 HD21 LEU 37 HD21 LEU 37 -22.489 8.622 20.892 281 HD22 LEU 37 HD22 LEU 37 -23.869 7.876 20.106 282 HD23 LEU 37 HD23 LEU 37 -24.092 9.342 21.068 283 H GLU 38 HN GLU 38 -23.706 13.353 19.336 284 HA GLU 38 HA GLU 38 -22.307 15.840 18.830 285 HB2 GLU 38 HB2 GLU 38 -25.108 15.122 19.563 286 HB3 GLU 38 HB1 GLU 38 -24.547 16.768 19.807 287 HG2 GLU 38 HG2 GLU 38 -25.715 16.452 17.671 288 HG3 GLU 38 HG1 GLU 38 -24.053 17.000 17.468 289 H ASP 39 HN ASP 39 -22.120 13.836 21.443 290 HA ASP 39 HA ASP 39 -22.607 15.639 23.569 291 HB2 ASP 39 HB2 ASP 39 -20.901 13.158 23.453 292 HB3 ASP 39 HB1 ASP 39 -21.149 14.085 24.919 293 H LEU 40 HN LEU 40 -19.372 14.372 22.925 294 HA LEU 40 HA LEU 40 -17.296 15.311 23.206 295 HB2 LEU 40 HB2 LEU 40 -18.561 17.475 21.561 296 HB3 LEU 40 HB1 LEU 40 -16.844 17.176 21.740 297 HG LEU 40 HG LEU 40 -18.822 15.343 20.413 298 HD11 LEU 40 HD11 LEU 40 -16.636 17.070 19.315 299 HD12 LEU 40 HD12 LEU 40 -18.361 17.409 19.229 300 HD13 LEU 40 HD13 LEU 40 -17.692 16.009 18.374 301 HD21 LEU 40 HD21 LEU 40 -16.990 14.113 21.505 302 HD22 LEU 40 HD22 LEU 40 -15.817 15.134 20.672 303 HD23 LEU 40 HD23 LEU 40 -16.855 14.047 19.748 304 H GLU 41 HN GLU 41 -17.286 15.779 25.416 305 HA GLU 41 HA GLU 41 -17.765 18.622 25.947 306 HB2 GLU 41 HB2 GLU 41 -18.082 16.269 27.814 307 HB3 GLU 41 HB1 GLU 41 -18.224 17.946 28.318 308 HG2 GLU 41 HG2 GLU 41 -20.141 18.265 26.918 309 HG3 GLU 41 HG1 GLU 41 -19.963 16.653 26.225 310 H SER 42 HN SER 42 -16.014 15.834 27.202 311 HA SER 42 HA SER 42 -13.465 17.133 27.007 312 HB2 SER 42 HB2 SER 42 -14.516 16.344 29.757 313 HB3 SER 42 HB1 SER 42 -12.881 16.899 29.398 314 HG SER 42 HG SER 42 -14.576 18.681 28.409 315 H GLU 43 HN GLU 43 -13.185 15.388 25.593 316 HA GLU 43 HA GLU 43 -13.572 12.696 26.614 317 HB2 GLU 43 HB2 GLU 43 -12.539 13.377 23.861 318 HB3 GLU 43 HB1 GLU 43 -13.420 11.949 24.387 319 HG2 GLU 43 HG2 GLU 43 -14.511 14.730 24.002 320 HG3 GLU 43 HG1 GLU 43 -14.911 13.272 23.100 321 H LEU 44 HN LEU 44 -10.992 13.790 24.478 322 HA LEU 44 HA LEU 44 -9.030 12.346 26.039 323 HB2 LEU 44 HB2 LEU 44 -8.697 14.102 23.607 324 HB3 LEU 44 HB1 LEU 44 -7.530 12.960 24.241 325 HG LEU 44 HG LEU 44 -10.187 12.223 23.007 326 HD11 LEU 44 HD11 LEU 44 -8.838 11.326 21.182 327 HD12 LEU 44 HD12 LEU 44 -7.385 11.960 21.958 328 HD13 LEU 44 HD13 LEU 44 -8.624 13.068 21.372 329 HD21 LEU 44 HD21 LEU 44 -9.533 10.617 24.713 330 HD22 LEU 44 HD22 LEU 44 -7.926 10.492 23.995 331 HD23 LEU 44 HD23 LEU 44 -9.338 9.921 23.105 332 H GLY 45 HN GLY 45 -10.469 15.303 25.804 333 HA2 GLY 45 HA2 GLY 45 -9.314 16.625 27.871 334 HA3 GLY 45 HA1 GLY 45 -8.385 17.103 26.445 335 H ASP 46 HN ASP 46 -9.506 19.212 27.212 336 HA ASP 46 HA ASP 46 -12.268 19.378 26.326 337 HB2 ASP 46 HB2 ASP 46 -12.265 21.629 27.188 338 HB3 ASP 46 HB1 ASP 46 -11.507 20.572 28.375 339 H THR 47 HN THR 47 -9.406 19.377 24.773 340 HA THR 47 HA THR 47 -10.450 21.047 22.584 341 HB THR 47 HB THR 47 -8.819 22.435 23.730 342 HG1 THR 47 HG1 THR 47 -8.454 21.499 21.178 343 HG21 THR 47 HG21 THR 47 -7.554 20.715 24.885 344 HG22 THR 47 HG22 THR 47 -6.451 21.684 23.906 345 HG23 THR 47 HG23 THR 47 -6.953 20.082 23.354 346 H GLU 48 HN GLU 48 -8.836 18.165 23.567 347 HA GLU 48 HA GLU 48 -7.517 17.711 21.045 348 HB2 GLU 48 HB2 GLU 48 -7.801 15.943 23.455 349 HB3 GLU 48 HB1 GLU 48 -6.785 15.617 22.059 350 HG2 GLU 48 HG2 GLU 48 -5.587 17.752 22.524 351 HG3 GLU 48 HG1 GLU 48 -6.511 17.872 24.022 352 H THR 49 HN THR 49 -10.318 17.984 20.783 353 HA THR 49 HA THR 49 -11.050 15.296 19.895 354 HB THR 49 HB THR 49 -13.288 16.209 19.488 355 HG1 THR 49 HG1 THR 49 -13.406 18.242 19.107 356 HG21 THR 49 HG21 THR 49 -12.194 16.983 22.197 357 HG22 THR 49 HG22 THR 49 -12.831 15.403 21.741 358 HG23 THR 49 HG23 THR 49 -13.904 16.801 21.806 359 H MET 50 HN MET 50 -9.610 18.130 18.843 360 HA MET 50 HA MET 50 -10.474 18.092 16.100 361 HB2 MET 50 HB2 MET 50 -8.368 19.664 15.902 362 HB3 MET 50 HB1 MET 50 -9.849 20.247 16.624 363 HG2 MET 50 HG2 MET 50 -7.936 20.964 17.905 364 HG3 MET 50 HG1 MET 50 -8.911 19.852 18.855 365 HE1 MET 50 HE1 MET 50 -6.119 19.311 16.042 366 HE2 MET 50 HE2 MET 50 -4.735 19.009 17.088 367 HE3 MET 50 HE3 MET 50 -5.533 20.578 17.120 368 H ARG 51 HN ARG 51 -9.531 15.611 16.913 369 HA ARG 51 HA ARG 51 -6.832 15.143 16.118 370 HB2 ARG 51 HB2 ARG 51 -9.162 13.231 16.369 371 HB3 ARG 51 HB1 ARG 51 -7.473 12.768 16.230 372 HG2 ARG 51 HG2 ARG 51 -8.581 14.411 18.524 373 HG3 ARG 51 HG1 ARG 51 -8.390 12.654 18.538 374 HD2 ARG 51 HD2 ARG 51 -5.989 12.937 18.166 375 HD3 ARG 51 HD1 ARG 51 -6.203 14.688 18.171 376 HE ARG 51 HE ARG 51 -7.316 13.764 20.516 377 HH11 ARG 51 HH11 ARG 51 -4.153 13.761 19.021 378 HH12 ARG 51 HH12 ARG 51 -3.290 13.743 20.518 379 HH21 ARG 51 HH21 ARG 51 -6.170 13.726 22.522 380 HH22 ARG 51 HH22 ARG 51 -4.446 13.735 22.512 381 H THR 52 HN THR 52 -6.823 16.264 14.116 382 HA THR 52 HA THR 52 -7.847 14.736 11.820 383 HB THR 52 HB THR 52 -8.433 16.948 10.751 384 HG1 THR 52 HG1 THR 52 -8.208 18.035 13.363 385 HG21 THR 52 HG21 THR 52 -10.519 17.327 11.967 386 HG22 THR 52 HG22 THR 52 -9.890 16.430 13.350 387 HG23 THR 52 HG23 THR 52 -10.204 15.599 11.825 388 HA PRO 53 HA PRO 53 -3.814 15.742 10.135 389 HB2 PRO 53 HB2 PRO 53 -4.242 16.487 7.552 390 HB3 PRO 53 HB1 PRO 53 -4.386 14.814 8.102 391 HG2 PRO 53 HG2 PRO 53 -6.531 16.850 7.645 392 HG3 PRO 53 HG1 PRO 53 -6.506 15.132 7.206 393 HD2 PRO 53 HD2 PRO 53 -7.828 16.059 9.353 394 HD3 PRO 53 HD1 PRO 53 -7.085 14.456 9.329 395 H GLY 54 HN GLY 54 -5.851 18.123 10.884 396 HA2 GLY 54 HA2 GLY 54 -4.382 20.157 11.522 397 HA3 GLY 54 HA1 GLY 54 -4.156 20.273 9.786 398 H TYR 55 HN TYR 55 -7.032 19.722 11.857 399 HA TYR 55 HA TYR 55 -8.158 22.207 10.863 400 HB2 TYR 55 HB2 TYR 55 -9.536 19.511 10.733 401 HB3 TYR 55 HB1 TYR 55 -10.365 21.050 10.542 402 HD1 TYR 55 HD2 TYR 55 -9.832 22.491 8.576 403 HD2 TYR 55 HD1 TYR 55 -8.316 18.530 8.933 404 HE1 TYR 55 HE2 TYR 55 -9.317 22.475 6.179 405 HE2 TYR 55 HE1 TYR 55 -7.801 18.509 6.526 406 HH TYR 55 HH TYR 55 -7.954 21.380 4.604 407 H PHE 56 HN PHE 56 -9.417 23.226 12.332 408 HA PHE 56 HA PHE 56 -9.633 21.925 14.954 409 HB2 PHE 56 HB2 PHE 56 -9.361 24.844 14.247 410 HB3 PHE 56 HB1 PHE 56 -9.829 24.277 15.852 411 HD1 PHE 56 HD1 PHE 56 -7.111 24.318 13.363 412 HD2 PHE 56 HD2 PHE 56 -8.246 23.389 17.356 413 HE1 PHE 56 HE1 PHE 56 -4.742 24.060 13.972 414 HE2 PHE 56 HE2 PHE 56 -5.880 23.131 17.973 415 HZ PHE 56 HZ PHE 56 -4.125 23.469 16.281 416 H PHE 57 HN PHE 57 -11.503 21.918 16.068 417 HA PHE 57 HA PHE 57 -13.897 21.976 14.485 418 HB2 PHE 57 HB2 PHE 57 -14.946 21.001 16.485 419 HB3 PHE 57 HB1 PHE 57 -13.462 20.156 16.099 420 HD1 PHE 57 HD2 PHE 57 -11.444 20.689 17.427 421 HD2 PHE 57 HD1 PHE 57 -15.318 21.980 18.504 422 HE1 PHE 57 HE2 PHE 57 -10.677 21.043 19.692 423 HE2 PHE 57 HE1 PHE 57 -14.573 22.344 20.790 424 HZ PHE 57 HZ PHE 57 -12.233 21.879 21.421 425 H GLN 58 HN GLN 58 -12.412 24.139 16.735 426 HA GLN 58 HA GLN 58 -12.997 26.136 17.631 427 HB2 GLN 58 HB2 GLN 58 -13.949 26.800 15.489 428 HB3 GLN 58 HB1 GLN 58 -15.425 25.918 15.831 429 HG2 GLN 58 HG2 GLN 58 -15.778 28.288 16.146 430 HG3 GLN 58 HG1 GLN 58 -15.906 27.438 17.681 431 HE21 GLN 58 HE21 GLN 58 -12.874 28.192 16.094 432 HE22 GLN 58 HE22 GLN 58 -12.345 29.341 17.270 433 H GLN 59 HN GLN 59 -13.464 26.196 19.685 434 HA GLN 59 HA GLN 59 -15.338 24.360 20.814 435 HB2 GLN 59 HB2 GLN 59 -13.066 25.418 21.778 436 HB3 GLN 59 HB1 GLN 59 -14.210 26.551 22.475 437 HG2 GLN 59 HG2 GLN 59 -14.324 23.557 22.844 438 HG3 GLN 59 HG1 GLN 59 -13.600 24.686 23.987 439 HE21 GLN 59 HE21 GLN 59 -15.769 22.828 24.411 440 HE22 GLN 59 HE22 GLN 59 -17.141 23.765 24.886 441 H ALA 60 HN ALA 60 -17.293 24.933 19.997 442 HA ALA 60 HA ALA 60 -18.442 27.439 21.004 443 HB1 ALA 60 HB1 ALA 60 -18.615 27.180 18.572 444 HB2 ALA 60 HB2 ALA 60 -20.211 27.108 19.320 445 HB3 ALA 60 HB3 ALA 60 -19.417 25.624 18.789 446 HA PRO 61 HA PRO 61 -20.657 25.346 24.165 447 HB2 PRO 61 HB2 PRO 61 -23.192 26.504 23.741 448 HB3 PRO 61 HB1 PRO 61 -21.918 27.113 24.801 449 HG2 PRO 61 HG2 PRO 61 -22.627 27.940 22.026 450 HG3 PRO 61 HG1 PRO 61 -22.017 28.919 23.367 451 HD2 PRO 61 HD2 PRO 61 -20.437 28.213 21.340 452 HD3 PRO 61 HD1 PRO 61 -19.816 28.276 23.003 453 H ASN 62 HN ASN 62 -23.036 25.751 21.535 454 HA ASN 62 HA ASN 62 -23.371 22.831 21.528 455 HB2 ASN 62 HB2 ASN 62 -25.530 24.917 21.739 456 HB3 ASN 62 HB1 ASN 62 -25.869 23.333 21.053 457 HD21 ASN 62 HD21 ASN 62 -26.856 24.642 23.498 458 HD22 ASN 62 HD22 ASN 62 -26.482 23.553 24.789 459 H ARG 63 HN ARG 63 -21.958 22.963 19.692 460 HA ARG 63 HA ARG 63 -23.435 23.594 17.273 461 HB2 ARG 63 HB2 ARG 63 -21.796 25.329 17.549 462 HB3 ARG 63 HB1 ARG 63 -20.547 24.151 17.916 463 HG2 ARG 63 HG2 ARG 63 -20.190 24.895 15.711 464 HG3 ARG 63 HG1 ARG 63 -20.841 23.250 15.652 465 HD2 ARG 63 HD2 ARG 63 -21.900 24.643 13.950 466 HD3 ARG 63 HD1 ARG 63 -23.078 24.157 15.167 467 HE ARG 63 HE ARG 63 -21.816 26.714 15.642 468 HH11 ARG 63 HH11 ARG 63 -24.543 25.055 14.205 469 HH12 ARG 63 HH12 ARG 63 -25.523 26.477 14.111 470 HH21 ARG 63 HH21 ARG 63 -23.114 28.596 15.544 471 HH22 ARG 63 HH22 ARG 63 -24.709 28.508 14.884 472 H ARG 64 HN ARG 64 -23.214 22.080 15.639 473 HA ARG 64 HA ARG 64 -22.318 19.478 16.313 474 HB2 ARG 64 HB2 ARG 64 -23.048 20.711 13.657 475 HB3 ARG 64 HB1 ARG 64 -22.749 18.998 13.908 476 HG2 ARG 64 HG2 ARG 64 -24.635 18.853 15.411 477 HG3 ARG 64 HG1 ARG 64 -24.907 20.591 15.264 478 HD2 ARG 64 HD2 ARG 64 -24.986 18.643 12.978 479 HD3 ARG 64 HD1 ARG 64 -26.406 19.232 13.843 480 HE ARG 64 HE ARG 64 -24.995 21.475 13.003 481 HH11 ARG 64 HH11 ARG 64 -26.615 18.740 11.502 482 HH12 ARG 64 HH12 ARG 64 -27.102 19.618 10.096 483 HH21 ARG 64 HH21 ARG 64 -25.635 22.649 11.139 484 HH22 ARG 64 HH22 ARG 64 -26.541 21.870 9.889 485 H ARG 65 HN ARG 65 -20.200 19.715 16.926 486 HA ARG 65 HA ARG 65 -18.165 20.970 15.447 487 HB2 ARG 65 HB2 ARG 65 -18.052 18.821 17.561 488 HB3 ARG 65 HB1 ARG 65 -16.666 19.750 16.997 489 HG2 ARG 65 HG2 ARG 65 -17.625 21.788 17.814 490 HG3 ARG 65 HG1 ARG 65 -19.120 20.961 18.245 491 HD2 ARG 65 HD2 ARG 65 -17.812 19.559 19.821 492 HD3 ARG 65 HD1 ARG 65 -16.400 20.555 19.459 493 HE ARG 65 HE ARG 65 -18.286 22.361 20.201 494 HH11 ARG 65 HH11 ARG 65 -16.929 19.510 21.662 495 HH12 ARG 65 HH12 ARG 65 -17.335 19.965 23.275 496 HH21 ARG 65 HH21 ARG 65 -18.816 23.025 22.340 497 HH22 ARG 65 HH22 ARG 65 -18.390 22.012 23.675 498 H ILE 66 HN ILE 66 -19.366 17.681 15.571 499 HA ILE 66 HA ILE 66 -17.414 16.299 14.199 500 HB ILE 66 HB ILE 66 -19.085 14.978 15.154 501 HG12 ILE 66 HG12 ILE 66 -20.062 14.840 12.346 502 HG13 ILE 66 HG11 ILE 66 -18.387 14.458 12.672 503 HG21 ILE 66 HG21 ILE 66 -21.492 15.163 14.606 504 HG22 ILE 66 HG22 ILE 66 -21.131 16.592 13.635 505 HG23 ILE 66 HG23 ILE 66 -20.841 16.608 15.374 506 HD11 ILE 66 HD11 ILE 66 -20.818 13.113 13.851 507 HD12 ILE 66 HD12 ILE 66 -19.142 12.683 14.213 508 HD13 ILE 66 HD13 ILE 66 -19.777 12.464 12.581 509 H SER 67 HN SER 67 -20.036 18.228 12.891 510 HA SER 67 HA SER 67 -20.527 19.005 10.879 511 HB2 SER 67 HB2 SER 67 -17.601 18.746 10.297 512 HB3 SER 67 HB1 SER 67 -18.794 19.867 9.641 513 HG SER 67 HG SER 67 -17.638 19.821 12.210 514 H ARG 68 HN ARG 68 -20.637 16.190 11.131 515 HA ARG 68 HA ARG 68 -20.350 15.405 8.305 516 HB2 ARG 68 HB2 ARG 68 -19.805 13.650 10.717 517 HB3 ARG 68 HB1 ARG 68 -19.776 13.117 9.046 518 HG2 ARG 68 HG2 ARG 68 -17.879 14.538 8.577 519 HG3 ARG 68 HG1 ARG 68 -17.960 15.219 10.202 520 HD2 ARG 68 HD2 ARG 68 -17.510 12.972 11.133 521 HD3 ARG 68 HD1 ARG 68 -17.353 12.351 9.494 522 HE ARG 68 HE ARG 68 -15.338 13.551 9.244 523 HH11 ARG 68 HH11 ARG 68 -16.718 13.954 12.456 524 HH12 ARG 68 HH12 ARG 68 -15.244 14.519 13.155 525 HH21 ARG 68 HH21 ARG 68 -13.361 14.263 10.216 526 HH22 ARG 68 HH22 ARG 68 -13.346 14.695 11.895 527 H GLU 69 HN GLU 69 -21.963 13.933 7.565 528 HA GLU 69 HA GLU 69 -24.484 14.225 8.940 529 HB2 GLU 69 HB2 GLU 69 -25.474 13.243 6.950 530 HB3 GLU 69 HB1 GLU 69 -24.321 14.485 6.486 531 HG2 GLU 69 HG2 GLU 69 -22.651 12.679 6.091 532 HG3 GLU 69 HG1 GLU 69 -23.930 11.506 6.377 533 H HIS 70 HN HIS 70 -25.596 12.669 10.004 534 HA HIS 70 HA HIS 70 -24.862 9.896 9.861 535 HB2 HIS 70 HB2 HIS 70 -24.309 9.674 12.262 536 HB3 HIS 70 HB1 HIS 70 -23.132 10.656 11.400 537 HD2 HIS 70 HD2 HIS 70 -25.297 10.836 14.511 538 HE1 HIS 70 HE1 HIS 70 -24.047 14.797 13.674 539 HE2 HIS 70 HE2 HIS 70 -24.886 13.231 15.440 540 H GLY 71 HN GLY 71 -26.174 8.587 11.377 541 HA2 GLY 71 HA2 GLY 71 -28.855 9.765 11.639 542 HA3 GLY 71 HA1 GLY 71 -28.493 8.044 11.509 543 H ARG 72 HN ARG 72 -29.475 7.402 13.431 544 HA ARG 72 HA ARG 72 -28.333 8.606 15.862 545 HB2 ARG 72 HB2 ARG 72 -30.924 8.441 15.324 546 HB3 ARG 72 HB1 ARG 72 -30.714 6.824 15.963 547 HG2 ARG 72 HG2 ARG 72 -29.900 7.703 18.059 548 HG3 ARG 72 HG1 ARG 72 -29.983 9.349 17.437 549 HD2 ARG 72 HD2 ARG 72 -32.452 8.947 17.073 550 HD3 ARG 72 HD1 ARG 72 -32.253 7.459 17.998 551 HE ARG 72 HE ARG 72 -31.182 9.647 19.438 552 HH11 ARG 72 HH11 ARG 72 -34.253 8.224 18.494 553 HH12 ARG 72 HH12 ARG 72 -35.140 8.956 19.781 554 HH21 ARG 72 HH21 ARG 72 -32.357 10.613 21.157 555 HH22 ARG 72 HH22 ARG 72 -34.055 10.308 21.309 556 H THR 73 HN THR 73 -28.313 5.873 13.951 557 HA THR 73 HA THR 73 -27.007 4.387 16.106 558 HB THR 73 HB THR 73 -27.852 2.330 15.022 559 HG1 THR 73 HG1 THR 73 -29.946 3.093 13.738 560 HG21 THR 73 HG21 THR 73 -28.973 3.193 16.995 561 HG22 THR 73 HG22 THR 73 -30.179 2.553 15.879 562 HG23 THR 73 HG23 THR 73 -29.928 4.295 16.002 563 H TRP 74 HN TRP 74 -26.511 5.946 13.279 564 HA TRP 74 HA TRP 74 -24.117 4.398 12.674 565 HB2 TRP 74 HB2 TRP 74 -24.598 4.540 10.221 566 HB3 TRP 74 HB1 TRP 74 -25.719 3.501 11.089 567 HD1 TRP 74 HD1 TRP 74 -28.249 4.402 11.382 568 HE1 TRP 74 HE1 TRP 74 -29.617 6.090 10.014 569 HE3 TRP 74 HE3 TRP 74 -24.420 6.686 8.868 570 HZ2 TRP 74 HZ2 TRP 74 -29.138 8.124 8.108 571 HZ3 TRP 74 HZ3 TRP 74 -24.965 8.491 7.284 572 HH2 TRP 74 HH2 TRP 74 -27.269 9.191 6.914 573 H THR 75 HN THR 75 -22.440 5.621 11.824 574 HA THR 75 HA THR 75 -22.927 8.495 11.460 575 HB THR 75 HB THR 75 -20.768 7.336 13.233 576 HG1 THR 75 HG1 THR 75 -22.348 7.420 14.611 577 HG21 THR 75 HG21 THR 75 -21.434 10.230 12.658 578 HG22 THR 75 HG22 THR 75 -20.029 9.359 12.040 579 HG23 THR 75 HG23 THR 75 -20.196 9.642 13.772 580 H LYS 76 HN LYS 76 -21.829 9.356 9.775 581 HA LYS 76 HA LYS 76 -19.927 7.681 8.360 582 HB2 LYS 76 HB2 LYS 76 -21.631 8.995 7.095 583 HB3 LYS 76 HB1 LYS 76 -20.911 10.475 7.715 584 HG2 LYS 76 HG2 LYS 76 -18.813 9.937 6.560 585 HG3 LYS 76 HG1 LYS 76 -19.540 8.461 5.930 586 HD2 LYS 76 HD2 LYS 76 -19.684 10.064 4.188 587 HD3 LYS 76 HD1 LYS 76 -21.304 9.930 4.865 588 HE2 LYS 76 HE2 LYS 76 -20.903 11.946 6.199 589 HE3 LYS 76 HE1 LYS 76 -19.292 12.078 5.503 590 HZ1 LYS 76 HZ1 LYS 76 -20.303 12.335 3.309 591 HZ2 LYS 76 HZ2 LYS 76 -20.851 13.535 4.364 592 HZ3 LYS 76 HZ3 LYS 76 -21.850 12.222 3.987 593 H LEU 77 HN LEU 77 -17.844 7.762 8.882 594 HA LEU 77 HA LEU 77 -16.862 10.212 10.156 595 HB2 LEU 77 HB2 LEU 77 -15.783 7.401 10.316 596 HB3 LEU 77 HB1 LEU 77 -15.014 8.806 11.030 597 HG LEU 77 HG LEU 77 -17.737 7.736 11.797 598 HD11 LEU 77 HD11 LEU 77 -16.635 7.078 13.887 599 HD12 LEU 77 HD12 LEU 77 -15.085 7.573 13.210 600 HD13 LEU 77 HD13 LEU 77 -15.969 6.231 12.489 601 HD21 LEU 77 HD21 LEU 77 -16.063 9.947 12.992 602 HD22 LEU 77 HD22 LEU 77 -17.570 9.324 13.664 603 HD23 LEU 77 HD23 LEU 77 -17.577 10.149 12.106 604 H THR 78 HN THR 78 -15.578 11.440 9.069 605 HA THR 78 HA THR 78 -14.125 10.331 6.774 606 HB THR 78 HB THR 78 -14.806 13.223 7.356 607 HG1 THR 78 HG1 THR 78 -16.478 12.972 5.921 608 HG21 THR 78 HG21 THR 78 -14.173 13.598 5.021 609 HG22 THR 78 HG22 THR 78 -13.815 11.883 4.825 610 HG23 THR 78 HG23 THR 78 -12.828 12.871 5.903 611 H TYR 79 HN TYR 79 -12.068 9.928 7.300 612 HA TYR 79 HA TYR 79 -10.799 11.455 9.453 613 HB2 TYR 79 HB2 TYR 79 -9.572 9.133 7.979 614 HB3 TYR 79 HB1 TYR 79 -9.229 9.700 9.608 615 HD1 TYR 79 HD2 TYR 79 -10.989 9.336 11.404 616 HD2 TYR 79 HD1 TYR 79 -11.184 7.478 7.587 617 HE1 TYR 79 HE2 TYR 79 -12.575 7.688 12.295 618 HE2 TYR 79 HE1 TYR 79 -12.766 5.824 8.469 619 HH TYR 79 HH TYR 79 -13.463 4.866 10.558 620 H ALA 80 HN ALA 80 -11.063 11.497 6.131 621 HA ALA 80 HA ALA 80 -10.009 12.533 4.417 622 HB1 ALA 80 HB1 ALA 80 -8.557 14.464 4.921 623 HB2 ALA 80 HB2 ALA 80 -8.556 14.000 6.625 624 HB3 ALA 80 HB3 ALA 80 -10.057 14.503 5.848 625 H ASN 81 HN ASN 81 -8.676 10.259 6.149 626 HA ASN 81 HA ASN 81 -6.210 10.200 4.571 627 HB2 ASN 81 HB2 ASN 81 -6.536 9.611 7.500 628 HB3 ASN 81 HB1 ASN 81 -5.198 8.954 6.577 629 HD21 ASN 81 HD21 ASN 81 -6.643 11.850 7.853 630 HD22 ASN 81 HD22 ASN 81 -5.250 12.852 7.642 631 H HIS 82 HN HIS 82 -5.652 8.281 3.735 632 HA HIS 82 HA HIS 82 -7.743 6.291 3.675 633 HB2 HIS 82 HB2 HIS 82 -6.517 5.330 1.808 634 HB3 HIS 82 HB1 HIS 82 -6.698 7.064 1.591 635 HD2 HIS 82 HD2 HIS 82 -3.919 4.422 1.889 636 HE1 HIS 82 HE1 HIS 82 -2.049 8.215 1.623 637 HE2 HIS 82 HE2 HIS 82 -1.760 5.727 1.362 638 H SER 83 HN SER 83 -4.735 6.767 5.219 639 HA SER 83 HA SER 83 -3.887 4.092 5.493 640 HB2 SER 83 HB2 SER 83 -2.422 6.018 5.964 641 HB3 SER 83 HB1 SER 83 -3.400 6.420 7.371 642 HG SER 83 HG SER 83 -2.064 3.939 7.020 643 H SER 84 HN SER 84 -5.965 6.093 7.560 644 HA SER 84 HA SER 84 -6.409 3.929 9.404 645 HB2 SER 84 HB2 SER 84 -7.977 5.602 10.455 646 HB3 SER 84 HB1 SER 84 -6.294 6.119 10.347 647 HG SER 84 HG SER 84 -8.336 7.432 9.477 648 H TYR 85 HN TYR 85 -7.716 4.977 6.486 649 HA TYR 85 HA TYR 85 -10.455 4.464 6.719 650 HB2 TYR 85 HB2 TYR 85 -9.539 5.660 4.827 651 HB3 TYR 85 HB1 TYR 85 -8.561 4.284 4.361 652 HD1 TYR 85 HD2 TYR 85 -9.614 2.334 3.270 653 HD2 TYR 85 HD1 TYR 85 -11.856 5.832 4.187 654 HE1 TYR 85 HE2 TYR 85 -11.359 1.609 1.716 655 HE2 TYR 85 HE1 TYR 85 -13.611 5.113 2.613 656 HH TYR 85 HH TYR 85 -13.662 3.538 0.480 657 H LEU 86 HN LEU 86 -7.828 2.323 5.600 658 HA LEU 86 HA LEU 86 -9.492 0.096 5.122 659 HB2 LEU 86 HB2 LEU 86 -6.519 0.293 5.583 660 HB3 LEU 86 HB1 LEU 86 -7.318 -1.231 5.276 661 HG LEU 86 HG LEU 86 -8.132 -0.229 3.092 662 HD11 LEU 86 HD11 LEU 86 -6.014 1.823 3.678 663 HD12 LEU 86 HD12 LEU 86 -7.748 2.122 3.698 664 HD13 LEU 86 HD13 LEU 86 -6.951 1.666 2.192 665 HD21 LEU 86 HD21 LEU 86 -6.302 -1.837 3.216 666 HD22 LEU 86 HD22 LEU 86 -5.160 -0.519 3.484 667 HD23 LEU 86 HD23 LEU 86 -6.019 -0.642 1.951 668 H ARG 87 HN ARG 87 -7.613 1.037 7.937 669 HA ARG 87 HA ARG 87 -8.005 -1.357 9.391 670 HB2 ARG 87 HB2 ARG 87 -6.252 0.393 9.845 671 HB3 ARG 87 HB1 ARG 87 -7.515 1.362 10.597 672 HG2 ARG 87 HG2 ARG 87 -7.906 -0.391 12.233 673 HG3 ARG 87 HG1 ARG 87 -6.682 -1.397 11.462 674 HD2 ARG 87 HD2 ARG 87 -5.013 0.394 11.931 675 HD3 ARG 87 HD1 ARG 87 -6.251 1.246 12.850 676 HE ARG 87 HE ARG 87 -4.889 -1.222 13.589 677 HH11 ARG 87 HH11 ARG 87 -7.304 1.189 14.385 678 HH12 ARG 87 HH12 ARG 87 -7.485 0.668 16.024 679 HH21 ARG 87 HH21 ARG 87 -5.110 -1.926 15.753 680 HH22 ARG 87 HH22 ARG 87 -6.207 -1.102 16.810 681 H ALA 88 HN ALA 88 -9.845 1.620 9.179 682 HA ALA 88 HA ALA 88 -11.594 1.071 11.345 683 HB1 ALA 88 HB1 ALA 88 -11.988 2.922 8.992 684 HB2 ALA 88 HB2 ALA 88 -11.218 3.346 10.520 685 HB3 ALA 88 HB3 ALA 88 -12.931 2.923 10.482 686 H LEU 89 HN LEU 89 -11.396 -0.295 8.256 687 HA LEU 89 HA LEU 89 -14.181 -0.628 7.751 688 HB2 LEU 89 HB2 LEU 89 -11.806 -1.988 6.530 689 HB3 LEU 89 HB1 LEU 89 -13.454 -2.155 5.975 690 HG LEU 89 HG LEU 89 -11.732 0.306 5.886 691 HD11 LEU 89 HD11 LEU 89 -12.127 0.134 3.493 692 HD12 LEU 89 HD12 LEU 89 -13.096 -1.315 3.772 693 HD13 LEU 89 HD13 LEU 89 -11.366 -1.328 4.137 694 HD21 LEU 89 HD21 LEU 89 -13.964 1.000 6.542 695 HD22 LEU 89 HD22 LEU 89 -14.667 0.054 5.230 696 HD23 LEU 89 HD23 LEU 89 -13.649 1.449 4.867 697 H ARG 90 HN ARG 90 -12.219 -2.105 9.985 698 HA ARG 90 HA ARG 90 -12.840 -4.812 9.862 699 HB2 ARG 90 HB2 ARG 90 -12.499 -4.865 12.306 700 HB3 ARG 90 HB1 ARG 90 -11.237 -3.964 11.481 701 HG2 ARG 90 HG2 ARG 90 -12.185 -1.872 12.202 702 HG3 ARG 90 HG1 ARG 90 -13.598 -2.701 12.852 703 HD2 ARG 90 HD2 ARG 90 -12.033 -2.103 14.618 704 HD3 ARG 90 HD1 ARG 90 -12.196 -3.850 14.474 705 HE ARG 90 HE ARG 90 -9.991 -2.855 12.959 706 HH11 ARG 90 HH11 ARG 90 -11.048 -3.798 16.156 707 HH12 ARG 90 HH12 ARG 90 -9.453 -4.095 16.752 708 HH21 ARG 90 HH21 ARG 90 -7.865 -3.276 13.727 709 HH22 ARG 90 HH22 ARG 90 -7.620 -3.790 15.359 710 H GLU 91 HN GLU 91 -14.642 -5.974 10.087 711 HA GLU 91 HA GLU 91 -16.856 -4.948 11.681 712 HB2 GLU 91 HB2 GLU 91 -18.494 -5.322 9.921 713 HB3 GLU 91 HB1 GLU 91 -17.298 -4.143 9.404 714 HG2 GLU 91 HG2 GLU 91 -16.192 -5.803 8.042 715 HG3 GLU 91 HG1 GLU 91 -17.292 -7.055 8.621 716 H HIS 92 HN HIS 92 -14.813 -7.301 11.421 717 HA HIS 92 HA HIS 92 -16.800 -9.464 11.606 718 HB2 HIS 92 HB2 HIS 92 -15.105 -9.705 9.800 719 HB3 HIS 92 HB1 HIS 92 -13.842 -9.735 11.028 720 HD2 HIS 92 HD2 HIS 92 -13.554 -12.168 12.363 721 HE1 HIS 92 HE1 HIS 92 -16.534 -14.240 10.177 722 HE2 HIS 92 HE2 HIS 92 -14.836 -14.374 12.032 723 H GLY 93 HN GLY 93 -13.502 -8.945 12.875 724 HA2 GLY 93 HA2 GLY 93 -14.368 -10.294 15.324 725 HA3 GLY 93 HA1 GLY 93 -12.708 -10.073 14.803 726 H THR 94 HN THR 94 -15.479 -7.949 15.446 727 HA THR 94 HA THR 94 -14.010 -6.722 17.612 728 HB THR 94 HB THR 94 -14.928 -5.047 15.253 729 HG1 THR 94 HG1 THR 94 -12.633 -6.318 15.748 730 HG21 THR 94 HG21 THR 94 -13.950 -3.163 16.494 731 HG22 THR 94 HG22 THR 94 -13.574 -4.242 17.835 732 HG23 THR 94 HG23 THR 94 -15.254 -3.913 17.415 733 H ILE 95 HN ILE 95 -15.477 -7.130 19.115 734 HA ILE 95 HA ILE 95 -18.233 -6.254 18.630 735 HB ILE 95 HB ILE 95 -17.172 -8.449 20.419 736 HG12 ILE 95 HG12 ILE 95 -19.239 -8.536 18.221 737 HG13 ILE 95 HG11 ILE 95 -17.537 -8.938 17.988 738 HG21 ILE 95 HG21 ILE 95 -19.437 -8.808 21.210 739 HG22 ILE 95 HG22 ILE 95 -20.005 -7.419 20.287 740 HG23 ILE 95 HG23 ILE 95 -18.887 -7.188 21.632 741 HD11 ILE 95 HD11 ILE 95 -17.764 -10.767 19.604 742 HD12 ILE 95 HD12 ILE 95 -18.872 -10.940 18.244 743 HD13 ILE 95 HD13 ILE 95 -19.471 -10.365 19.802 744 H TYR 96 HN TYR 96 -18.903 -4.569 19.732 745 HA TYR 96 HA TYR 96 -17.482 -3.881 22.214 746 HB2 TYR 96 HB2 TYR 96 -17.153 -2.340 20.146 747 HB3 TYR 96 HB1 TYR 96 -18.822 -1.850 20.436 748 HD1 TYR 96 HD2 TYR 96 -19.390 -0.864 22.721 749 HD2 TYR 96 HD1 TYR 96 -15.411 -1.429 21.360 750 HE1 TYR 96 HE2 TYR 96 -18.595 0.683 24.453 751 HE2 TYR 96 HE1 TYR 96 -14.583 0.109 23.114 752 HH TYR 96 HH TYR 96 -15.515 2.014 24.499 753 H CYS 97 HN CYS 97 -18.753 -3.789 23.958 754 HA CYS 97 HA CYS 97 -20.572 -3.727 25.317 755 HB2 CYS 97 HB2 CYS 97 -20.893 -1.507 24.221 756 HB3 CYS 97 HB1 CYS 97 -21.915 -2.272 23.011 757 HG CYS 97 HG CYS 97 -23.597 -3.219 25.303 758 H GLY 98 HN GLY 98 -20.192 -5.921 23.297 759 HA2 GLY 98 HA2 GLY 98 -21.312 -7.968 23.122 760 HA3 GLY 98 HA1 GLY 98 -22.755 -7.205 23.765 761 H ALA 99 HN ALA 99 -21.427 -5.393 21.256 762 HA ALA 99 HA ALA 99 -23.079 -6.757 19.240 763 HB1 ALA 99 HB1 ALA 99 -24.262 -4.785 20.076 764 HB2 ALA 99 HB2 ALA 99 -23.779 -4.587 18.387 765 HB3 ALA 99 HB3 ALA 99 -22.866 -3.787 19.670 766 H ALA 100 HN ALA 100 -22.163 -6.896 17.226 767 HA ALA 100 HA ALA 100 -19.358 -6.354 17.033 768 HB1 ALA 100 HB1 ALA 100 -21.266 -7.240 14.870 769 HB2 ALA 100 HB2 ALA 100 -20.383 -8.319 15.954 770 HB3 ALA 100 HB3 ALA 100 -19.503 -7.306 14.809 771 H ILE 101 HN ILE 101 -18.328 -4.740 15.990 772 HA ILE 101 HA ILE 101 -19.940 -2.435 15.245 773 HB ILE 101 HB ILE 101 -16.925 -2.741 15.251 774 HG12 ILE 101 HG12 ILE 101 -18.751 -1.499 17.316 775 HG13 ILE 101 HG11 ILE 101 -17.786 -2.963 17.510 776 HG21 ILE 101 HG21 ILE 101 -18.650 -0.289 15.033 777 HG22 ILE 101 HG22 ILE 101 -17.596 -0.960 13.781 778 HG23 ILE 101 HG23 ILE 101 -16.903 -0.286 15.264 779 HD11 ILE 101 HD11 ILE 101 -16.727 -0.174 17.106 780 HD12 ILE 101 HD12 ILE 101 -15.740 -1.627 17.240 781 HD13 ILE 101 HD13 ILE 101 -16.709 -1.089 18.618 782 H GLY 102 HN GLY 102 -20.448 -1.977 13.211 783 HA2 GLY 102 HA2 GLY 102 -19.027 -3.453 11.093 784 HA3 GLY 102 HA1 GLY 102 -20.737 -3.047 11.022 785 H CYS 103 HN CYS 103 -17.834 -2.257 9.818 786 HA CYS 103 HA CYS 103 -18.763 0.437 9.182 787 HB2 CYS 103 HB2 CYS 103 -16.982 0.620 10.848 788 HB3 CYS 103 HB1 CYS 103 -15.920 -0.333 9.815 789 HG CYS 103 HG CYS 103 -14.843 1.905 9.114 790 H VAL 104 HN VAL 104 -18.812 0.853 7.107 791 HA VAL 104 HA VAL 104 -17.152 -0.707 5.255 792 HB VAL 104 HB VAL 104 -19.066 -0.998 3.720 793 HG11 VAL 104 HG11 VAL 104 -20.315 -2.702 4.983 794 HG12 VAL 104 HG12 VAL 104 -19.564 -2.125 6.471 795 HG13 VAL 104 HG13 VAL 104 -18.570 -2.838 5.201 796 HG21 VAL 104 HG21 VAL 104 -20.416 0.903 4.386 797 HG22 VAL 104 HG22 VAL 104 -20.712 0.171 5.962 798 HG23 VAL 104 HG23 VAL 104 -21.365 -0.582 4.506 799 HA PRO 105 HA PRO 105 -16.560 3.138 3.105 800 HB2 PRO 105 HB2 PRO 105 -17.461 1.912 0.562 801 HB3 PRO 105 HB1 PRO 105 -15.902 2.638 0.965 802 HG2 PRO 105 HG2 PRO 105 -16.189 -0.013 0.691 803 HG3 PRO 105 HG1 PRO 105 -15.083 0.685 1.888 804 HD2 PRO 105 HD2 PRO 105 -17.794 -0.505 2.268 805 HD3 PRO 105 HD1 PRO 105 -16.354 -0.624 3.301 806 H TYR 106 HN TYR 106 -17.736 4.905 2.389 807 HA TYR 106 HA TYR 106 -20.489 4.911 2.947 808 HB2 TYR 106 HB2 TYR 106 -19.057 6.907 3.167 809 HB3 TYR 106 HB1 TYR 106 -18.870 6.959 1.419 810 HD1 TYR 106 HD1 TYR 106 -21.304 7.333 4.172 811 HD2 TYR 106 HD2 TYR 106 -20.527 7.987 0.046 812 HE1 TYR 106 HE1 TYR 106 -23.291 8.772 4.028 813 HE2 TYR 106 HE2 TYR 106 -22.519 9.414 -0.113 814 HH TYR 106 HH TYR 106 -24.100 10.632 2.615 815 H LYS 107 HN LYS 107 -21.611 3.478 1.721 816 HA LYS 107 HA LYS 107 -21.572 3.811 -1.168 817 HB2 LYS 107 HB2 LYS 107 -22.885 1.736 0.579 818 HB3 LYS 107 HB1 LYS 107 -23.056 1.797 -1.167 819 HG2 LYS 107 HG2 LYS 107 -20.653 1.489 -1.424 820 HG3 LYS 107 HG1 LYS 107 -20.468 1.437 0.331 821 HD2 LYS 107 HD2 LYS 107 -20.484 -0.809 -0.483 822 HD3 LYS 107 HD1 LYS 107 -22.009 -0.516 0.361 823 HE2 LYS 107 HE2 LYS 107 -23.163 -0.215 -1.732 824 HE3 LYS 107 HE1 LYS 107 -21.652 -0.328 -2.628 825 HZ1 LYS 107 HZ1 LYS 107 -22.922 -2.512 -1.064 826 HZ2 LYS 107 HZ2 LYS 107 -21.450 -2.629 -1.876 827 HZ3 LYS 107 HZ3 LYS 107 -22.873 -2.386 -2.745 828 H HIS 108 HN HIS 108 -23.283 4.549 -2.304 829 HA HIS 108 HA HIS 108 -25.016 6.307 -0.914 830 HB2 HIS 108 HB2 HIS 108 -24.955 5.442 -3.800 831 HB3 HIS 108 HB1 HIS 108 -26.065 6.659 -3.171 832 HD2 HIS 108 HD2 HIS 108 -22.454 6.364 -4.394 833 HE1 HIS 108 HE1 HIS 108 -22.856 10.217 -2.687 834 HE2 HIS 108 HE2 HIS 108 -21.507 8.751 -4.222 835 H GLU 109 HN GLU 109 -25.476 3.118 -2.351 836 HA GLU 109 HA GLU 109 -28.285 3.031 -1.983 837 HB2 GLU 109 HB2 GLU 109 -27.053 1.548 -3.538 838 HB3 GLU 109 HB1 GLU 109 -26.336 0.735 -2.152 839 HG2 GLU 109 HG2 GLU 109 -28.515 -0.024 -1.439 840 HG3 GLU 109 HG1 GLU 109 -29.274 0.837 -2.778 841 H LEU 110 HN LEU 110 -25.581 2.424 0.095 842 HA LEU 110 HA LEU 110 -26.829 0.930 2.117 843 HB2 LEU 110 HB2 LEU 110 -24.411 1.204 2.015 844 HB3 LEU 110 HB1 LEU 110 -24.568 2.923 2.312 845 HG LEU 110 HG LEU 110 -25.557 2.351 4.555 846 HD11 LEU 110 HD11 LEU 110 -26.270 0.093 4.169 847 HD12 LEU 110 HD12 LEU 110 -25.042 0.088 5.436 848 HD13 LEU 110 HD13 LEU 110 -24.620 -0.413 3.796 849 HD21 LEU 110 HD21 LEU 110 -23.379 1.835 5.569 850 HD22 LEU 110 HD22 LEU 110 -23.260 3.085 4.335 851 HD23 LEU 110 HD23 LEU 110 -22.744 1.441 3.974 852 H ILE 111 HN ILE 111 -26.662 4.360 1.465 853 HA ILE 111 HA ILE 111 -27.811 5.313 3.840 854 HB ILE 111 HB ILE 111 -28.059 6.496 1.066 855 HG12 ILE 111 HG12 ILE 111 -25.719 6.119 1.643 856 HG13 ILE 111 HG11 ILE 111 -26.074 7.842 1.662 857 HG21 ILE 111 HG21 ILE 111 -29.628 7.524 2.572 858 HG22 ILE 111 HG22 ILE 111 -28.300 8.649 2.275 859 HG23 ILE 111 HG23 ILE 111 -28.371 7.748 3.789 860 HD11 ILE 111 HD11 ILE 111 -24.646 7.217 3.520 861 HD12 ILE 111 HD12 ILE 111 -25.843 6.051 4.077 862 HD13 ILE 111 HD13 ILE 111 -26.212 7.777 4.104 863 H SER 112 HN SER 112 -29.238 4.258 0.777 864 HA SER 112 HA SER 112 -31.919 4.789 1.389 865 HB2 SER 112 HB2 SER 112 -30.854 2.516 -0.315 866 HB3 SER 112 HB1 SER 112 -32.451 3.263 -0.417 867 HG SER 112 HG SER 112 -31.146 5.277 -0.816 868 H GLU 113 HN GLU 113 -29.887 1.960 2.017 869 HA GLU 113 HA GLU 113 -31.842 0.251 3.088 870 HB2 GLU 113 HB2 GLU 113 -28.896 0.495 3.732 871 HB3 GLU 113 HB1 GLU 113 -29.913 -0.847 4.222 872 HG2 GLU 113 HG2 GLU 113 -30.271 -1.442 1.893 873 HG3 GLU 113 HG1 GLU 113 -29.295 -0.059 1.387 874 H LEU 114 HN LEU 114 -29.586 2.482 4.649 875 HA LEU 114 HA LEU 114 -30.388 2.020 7.296 876 HB2 LEU 114 HB2 LEU 114 -29.007 4.352 6.028 877 HB3 LEU 114 HB1 LEU 114 -29.208 4.146 7.760 878 HG LEU 114 HG LEU 114 -27.712 2.261 5.946 879 HD11 LEU 114 HD11 LEU 114 -26.590 4.392 6.205 880 HD12 LEU 114 HD12 LEU 114 -25.723 3.106 7.051 881 HD13 LEU 114 HD13 LEU 114 -26.725 4.243 7.956 882 HD21 LEU 114 HD21 LEU 114 -28.049 2.296 8.942 883 HD22 LEU 114 HD22 LEU 114 -26.935 1.252 8.060 884 HD23 LEU 114 HD23 LEU 114 -28.676 1.079 7.830 885 H SER 115 HN SER 115 -31.412 4.471 4.934 886 HA SER 115 HA SER 115 -32.974 5.949 6.760 887 HB2 SER 115 HB2 SER 115 -33.994 6.920 4.678 888 HB3 SER 115 HB1 SER 115 -32.239 7.036 4.773 889 HG SER 115 HG SER 115 -32.030 5.597 3.219 890 H ARG 116 HN ARG 116 -33.746 3.201 4.641 891 HA ARG 116 HA ARG 116 -36.500 3.299 5.029 892 HB2 ARG 116 HB2 ARG 116 -35.331 2.061 3.216 893 HB3 ARG 116 HB1 ARG 116 -34.732 0.926 4.424 894 HG2 ARG 116 HG2 ARG 116 -36.976 0.352 5.001 895 HG3 ARG 116 HG1 ARG 116 -37.580 1.483 3.791 896 HD2 ARG 116 HD2 ARG 116 -36.327 0.158 2.058 897 HD3 ARG 116 HD1 ARG 116 -35.992 -1.037 3.315 898 HE ARG 116 HE ARG 116 -38.557 -0.470 2.051 899 HH11 ARG 116 HH11 ARG 116 -36.756 -2.332 4.399 900 HH12 ARG 116 HH12 ARG 116 -38.037 -3.465 4.680 901 HH21 ARG 116 HH21 ARG 116 -40.232 -1.985 2.380 902 HH22 ARG 116 HH22 ARG 116 -40.018 -3.265 3.523 903 H GLU 117 HN GLU 117 -33.808 1.767 6.689 904 HA GLU 117 HA GLU 117 -33.510 1.055 8.807 905 HB2 GLU 117 HB2 GLU 117 -34.717 3.028 9.562 906 HB3 GLU 117 HB1 GLU 117 -36.254 2.217 9.304 907 HG2 GLU 117 HG2 GLU 117 -35.624 0.561 11.031 908 HG3 GLU 117 HG1 GLU 117 -34.153 1.490 11.331 909 H GLY 118 HN GLY 118 -33.373 -1.081 8.414 910 HA2 GLY 118 HA2 GLY 118 -34.474 -3.004 9.652 911 HA3 GLY 118 HA1 GLY 118 -35.861 -2.622 8.639 912 H HIS 119 HN HIS 119 -36.027 -3.579 6.759 913 HA HIS 119 HA HIS 119 -33.759 -5.211 5.872 914 HB2 HIS 119 HB2 HIS 119 -36.730 -5.552 5.384 915 HB3 HIS 119 HB1 HIS 119 -35.483 -6.583 4.693 916 HD2 HIS 119 HD2 HIS 119 -37.368 -6.058 8.031 917 HE1 HIS 119 HE1 HIS 119 -34.672 -9.280 8.557 918 HE2 HIS 119 HE2 HIS 119 -36.386 -7.811 9.650 919 H HIS 120 HN HIS 120 -33.811 -5.640 3.455 920 HA HIS 120 HA HIS 120 -33.565 -3.133 2.104 921 HB2 HIS 120 HB2 HIS 120 -33.337 -5.984 1.121 922 HB3 HIS 120 HB1 HIS 120 -32.971 -4.565 0.141 923 HD2 HIS 120 HD2 HIS 120 -30.470 -3.506 0.533 924 HE1 HIS 120 HE1 HIS 120 -29.376 -5.956 3.807 925 HE2 HIS 120 HE2 HIS 120 -28.778 -3.954 2.423 926 H HIS 121 HN HIS 121 -35.840 -5.770 2.123 927 HA HIS 121 HA HIS 121 -37.746 -4.135 0.639 928 HB2 HIS 121 HB2 HIS 121 -36.460 -5.941 -0.784 929 HB3 HIS 121 HB1 HIS 121 -37.515 -7.077 0.049 930 HD2 HIS 121 HD2 HIS 121 -37.655 -4.436 -2.787 931 HE1 HIS 121 HE1 HIS 121 -41.478 -6.236 -2.479 932 HE2 HIS 121 HE2 HIS 121 -40.070 -4.552 -3.703 933 H HIS 122 HN HIS 122 -39.764 -6.159 0.623 934 HA HIS 122 HA HIS 122 -40.011 -6.875 3.442 935 HB2 HIS 122 HB2 HIS 122 -42.408 -6.124 3.412 936 HB3 HIS 122 HB1 HIS 122 -41.238 -4.817 3.336 937 HD2 HIS 122 HD2 HIS 122 -44.103 -6.353 1.222 938 HE1 HIS 122 HE1 HIS 122 -42.596 -2.985 -0.862 939 HE2 HIS 122 HE2 HIS 122 -44.284 -4.843 -0.870 940 H HIS 123 HN HIS 123 -40.154 -8.971 3.478 941 HA HIS 123 HA HIS 123 -40.865 -11.099 3.164 942 HB2 HIS 123 HB2 HIS 123 -43.187 -9.780 1.746 943 HB3 HIS 123 HB1 HIS 123 -43.106 -11.496 2.128 944 HD2 HIS 123 HD2 HIS 123 -43.230 -12.062 4.945 945 HE1 HIS 123 HE1 HIS 123 -44.765 -8.230 5.920 946 HE2 HIS 123 HE2 HIS 123 -44.555 -10.625 6.636 947 H HIS 124 HN HIS 124 -42.116 -9.864 0.107 948 HA HIS 124 HA HIS 124 -40.113 -11.471 -1.324 949 HB2 HIS 124 HB2 HIS 124 -43.081 -11.294 -1.840 950 HB3 HIS 124 HB1 HIS 124 -41.943 -11.854 -3.057 951 HD2 HIS 124 HD2 HIS 124 -43.570 -13.086 0.269 952 HE1 HIS 124 HE1 HIS 124 -41.416 -16.299 -1.465 953 HE2 HIS 124 HE2 HIS 124 -43.093 -15.624 0.288 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -9.947 -7.302 -15.640 2 H2 MET 1 HT2 MET 1 -9.728 -8.806 -14.908 3 H3 MET 1 HT3 MET 1 -10.526 -7.569 -14.078 4 HA MET 1 HA MET 1 -12.321 -7.590 -15.599 5 HB2 MET 1 HB2 MET 1 -12.455 -9.437 -17.299 6 HB3 MET 1 HB1 MET 1 -11.276 -8.189 -17.648 7 HG2 MET 1 HG2 MET 1 -10.267 -10.245 -18.214 8 HG3 MET 1 HG1 MET 1 -9.514 -9.724 -16.707 9 HE1 MET 1 HE1 MET 1 -9.317 -12.724 -17.892 10 HE2 MET 1 HE2 MET 1 -9.506 -13.640 -16.399 11 HE3 MET 1 HE3 MET 1 -8.525 -12.177 -16.418 12 H SER 2 HN SER 2 -10.679 -9.678 -13.543 13 HA SER 2 HA SER 2 -12.869 -11.551 -13.250 14 HB2 SER 2 HB2 SER 2 -10.361 -11.245 -11.575 15 HB3 SER 2 HB1 SER 2 -11.458 -12.627 -11.598 16 HG SER 2 HG SER 2 -10.628 -13.281 -13.450 17 H LEU 3 HN LEU 3 -11.324 -8.962 -11.362 18 HA LEU 3 HA LEU 3 -13.680 -8.980 -9.603 19 HB2 LEU 3 HB2 LEU 3 -10.842 -8.210 -8.918 20 HB3 LEU 3 HB1 LEU 3 -12.211 -8.141 -7.826 21 HG LEU 3 HG LEU 3 -11.068 -10.655 -9.031 22 HD11 LEU 3 HD11 LEU 3 -10.347 -11.143 -6.733 23 HD12 LEU 3 HD12 LEU 3 -10.880 -9.536 -6.243 24 HD13 LEU 3 HD13 LEU 3 -9.562 -9.714 -7.396 25 HD21 LEU 3 HD21 LEU 3 -13.249 -10.273 -6.984 26 HD22 LEU 3 HD22 LEU 3 -12.565 -11.819 -7.489 27 HD23 LEU 3 HD23 LEU 3 -13.467 -10.834 -8.643 28 H GLY 4 HN GLY 4 -14.817 -7.151 -9.494 29 HA2 GLY 4 HA2 GLY 4 -14.041 -4.882 -11.086 30 HA3 GLY 4 HA1 GLY 4 -15.509 -5.037 -10.128 31 H SER 5 HN SER 5 -13.172 -3.000 -10.428 32 HA SER 5 HA SER 5 -11.879 -2.835 -7.933 33 HB2 SER 5 HB2 SER 5 -12.522 -0.574 -9.840 34 HB3 SER 5 HB1 SER 5 -11.246 -0.601 -8.619 35 HG SER 5 HG SER 5 -10.389 -1.106 -10.646 36 H GLU 6 HN GLU 6 -14.838 -1.365 -9.181 37 HA GLU 6 HA GLU 6 -16.426 -0.073 -8.293 38 HB2 GLU 6 HB2 GLU 6 -16.155 -2.201 -6.170 39 HB3 GLU 6 HB1 GLU 6 -17.514 -1.112 -6.378 40 HG2 GLU 6 HG2 GLU 6 -16.593 -3.056 -8.464 41 HG3 GLU 6 HG1 GLU 6 -17.925 -3.343 -7.344 42 H SER 7 HN SER 7 -14.658 1.598 -8.022 43 HA SER 7 HA SER 7 -13.930 2.155 -5.291 44 HB2 SER 7 HB2 SER 7 -12.314 2.345 -7.220 45 HB3 SER 7 HB1 SER 7 -13.288 3.679 -7.826 46 HG SER 7 HG SER 7 -11.355 4.103 -6.396 47 H GLU 8 HN GLU 8 -13.931 5.016 -6.423 48 HA GLU 8 HA GLU 8 -15.060 6.915 -6.168 49 HB2 GLU 8 HB2 GLU 8 -16.448 5.748 -7.920 50 HB3 GLU 8 HB1 GLU 8 -17.558 5.328 -6.626 51 HG2 GLU 8 HG2 GLU 8 -17.822 7.696 -6.129 52 HG3 GLU 8 HG1 GLU 8 -16.751 8.056 -7.481 53 H THR 9 HN THR 9 -15.113 4.621 -3.997 54 HA THR 9 HA THR 9 -17.206 5.250 -2.221 55 HB THR 9 HB THR 9 -14.521 4.091 -1.513 56 HG1 THR 9 HG1 THR 9 -16.604 3.106 -3.006 57 HG21 THR 9 HG21 THR 9 -15.781 2.972 0.267 58 HG22 THR 9 HG22 THR 9 -17.243 3.816 -0.245 59 HG23 THR 9 HG23 THR 9 -15.878 4.727 0.406 60 H GLY 10 HN GLY 10 -13.843 6.345 -2.367 61 HA2 GLY 10 HA2 GLY 10 -13.078 8.463 -1.717 62 HA3 GLY 10 HA1 GLY 10 -14.588 8.722 -0.866 63 H ASN 11 HN ASN 11 -13.490 9.456 0.938 64 HA ASN 11 HA ASN 11 -11.858 7.494 2.393 65 HB2 ASN 11 HB2 ASN 11 -11.097 9.490 3.717 66 HB3 ASN 11 HB1 ASN 11 -10.638 9.512 2.018 67 HD21 ASN 11 HD21 ASN 11 -10.409 11.709 1.963 68 HD22 ASN 11 HD22 ASN 11 -11.747 12.802 2.024 69 H ALA 12 HN ALA 12 -14.855 7.770 2.256 70 HA ALA 12 HA ALA 12 -15.375 8.249 5.105 71 HB1 ALA 12 HB1 ALA 12 -17.709 8.618 4.455 72 HB2 ALA 12 HB2 ALA 12 -17.272 8.355 2.767 73 HB3 ALA 12 HB3 ALA 12 -16.608 9.735 3.647 74 H VAL 13 HN VAL 13 -16.097 6.671 6.343 75 HA VAL 13 HA VAL 13 -16.952 4.148 5.079 76 HB VAL 13 HB VAL 13 -16.282 3.026 7.199 77 HG11 VAL 13 HG11 VAL 13 -14.044 4.542 5.878 78 HG12 VAL 13 HG12 VAL 13 -14.785 3.061 5.275 79 HG13 VAL 13 HG13 VAL 13 -13.893 3.040 6.796 80 HG21 VAL 13 HG21 VAL 13 -16.450 4.938 8.695 81 HG22 VAL 13 HG22 VAL 13 -15.082 5.710 7.888 82 HG23 VAL 13 HG23 VAL 13 -14.841 4.211 8.798 83 H VAL 14 HN VAL 14 -18.607 2.975 6.180 84 HA VAL 14 HA VAL 14 -20.373 4.732 7.749 85 HB VAL 14 HB VAL 14 -21.154 2.377 5.999 86 HG11 VAL 14 HG11 VAL 14 -23.451 3.092 6.418 87 HG12 VAL 14 HG12 VAL 14 -22.863 4.371 7.477 88 HG13 VAL 14 HG13 VAL 14 -22.632 2.683 7.925 89 HG21 VAL 14 HG21 VAL 14 -21.576 5.331 5.549 90 HG22 VAL 14 HG22 VAL 14 -22.142 4.031 4.503 91 HG23 VAL 14 HG23 VAL 14 -20.411 4.324 4.691 92 H VAL 15 HN VAL 15 -20.264 4.211 9.820 93 HA VAL 15 HA VAL 15 -19.942 1.369 10.505 94 HB VAL 15 HB VAL 15 -19.242 3.732 12.268 95 HG11 VAL 15 HG11 VAL 15 -18.407 0.849 12.508 96 HG12 VAL 15 HG12 VAL 15 -19.808 1.531 13.334 97 HG13 VAL 15 HG13 VAL 15 -18.190 2.138 13.695 98 HG21 VAL 15 HG21 VAL 15 -16.886 3.231 11.757 99 HG22 VAL 15 HG22 VAL 15 -17.779 3.745 10.324 100 HG23 VAL 15 HG23 VAL 15 -17.409 2.037 10.568 101 H PHE 16 HN PHE 16 -21.454 0.441 11.713 102 HA PHE 16 HA PHE 16 -23.419 2.065 13.127 103 HB2 PHE 16 HB2 PHE 16 -25.283 0.682 12.117 104 HB3 PHE 16 HB1 PHE 16 -24.506 1.810 11.020 105 HD1 PHE 16 HD1 PHE 16 -24.872 -1.750 11.894 106 HD2 PHE 16 HD2 PHE 16 -23.289 1.066 9.124 107 HE1 PHE 16 HE1 PHE 16 -24.437 -3.568 10.293 108 HE2 PHE 16 HE2 PHE 16 -22.851 -0.742 7.523 109 HZ PHE 16 HZ PHE 16 -23.421 -3.067 8.105 110 H GLY 17 HN GLY 17 -24.871 0.678 14.490 111 HA2 GLY 17 HA2 GLY 17 -25.138 -1.591 15.452 112 HA3 GLY 17 HA1 GLY 17 -23.386 -1.719 15.401 113 H TYR 18 HN TYR 18 -24.385 1.376 16.257 114 HA TYR 18 HA TYR 18 -24.455 0.773 19.100 115 HB2 TYR 18 HB2 TYR 18 -22.832 2.662 19.525 116 HB3 TYR 18 HB1 TYR 18 -22.131 1.198 18.845 117 HD1 TYR 18 HD1 TYR 18 -23.116 4.693 18.098 118 HD2 TYR 18 HD2 TYR 18 -21.064 1.231 16.726 119 HE1 TYR 18 HE1 TYR 18 -22.080 6.018 16.296 120 HE2 TYR 18 HE2 TYR 18 -20.029 2.544 14.933 121 HH TYR 18 HH TYR 18 -20.216 5.979 14.815 122 H ARG 19 HN ARG 19 -24.932 2.814 20.376 123 HA ARG 19 HA ARG 19 -26.830 4.484 18.859 124 HB2 ARG 19 HB2 ARG 19 -28.369 4.416 20.731 125 HB3 ARG 19 HB1 ARG 19 -27.985 2.767 20.262 126 HG2 ARG 19 HG2 ARG 19 -26.379 2.627 22.126 127 HG3 ARG 19 HG1 ARG 19 -26.798 4.268 22.587 128 HD2 ARG 19 HD2 ARG 19 -27.972 2.671 23.984 129 HD3 ARG 19 HD1 ARG 19 -29.119 3.568 22.983 130 HE ARG 19 HE ARG 19 -28.650 1.341 21.536 131 HH11 ARG 19 HH11 ARG 19 -29.513 1.828 24.902 132 HH12 ARG 19 HH12 ARG 19 -30.479 0.394 24.998 133 HH21 ARG 19 HH21 ARG 19 -29.938 -0.563 21.651 134 HH22 ARG 19 HH22 ARG 19 -30.716 -0.978 23.141 135 H GLU 20 HN GLU 20 -27.215 6.581 19.820 136 HA GLU 20 HA GLU 20 -24.822 7.800 20.791 137 HB2 GLU 20 HB2 GLU 20 -26.479 8.897 19.263 138 HB3 GLU 20 HB1 GLU 20 -27.604 8.966 20.610 139 HG2 GLU 20 HG2 GLU 20 -25.985 10.363 21.839 140 HG3 GLU 20 HG1 GLU 20 -24.939 10.350 20.418 141 H ALA 21 HN ALA 21 -24.414 6.813 22.734 142 HA ALA 21 HA ALA 21 -25.463 7.911 25.096 143 HB1 ALA 21 HB1 ALA 21 -26.356 5.063 24.643 144 HB2 ALA 21 HB2 ALA 21 -27.414 6.460 24.500 145 HB3 ALA 21 HB3 ALA 21 -26.689 6.065 26.060 146 H ILE 22 HN ILE 22 -23.813 5.359 23.449 147 HA ILE 22 HA ILE 22 -22.112 4.766 25.745 148 HB ILE 22 HB ILE 22 -21.206 2.950 24.308 149 HG12 ILE 22 HG12 ILE 22 -23.115 2.659 22.284 150 HG13 ILE 22 HG11 ILE 22 -22.737 4.373 22.246 151 HG21 ILE 22 HG21 ILE 22 -23.057 2.511 25.832 152 HG22 ILE 22 HG22 ILE 22 -23.193 1.524 24.382 153 HG23 ILE 22 HG23 ILE 22 -24.215 2.946 24.579 154 HD11 ILE 22 HD11 ILE 22 -21.333 3.138 20.703 155 HD12 ILE 22 HD12 ILE 22 -20.751 2.121 22.014 156 HD13 ILE 22 HD13 ILE 22 -20.362 3.840 21.993 157 H THR 23 HN THR 23 -21.965 7.308 24.441 158 HA THR 23 HA THR 23 -20.082 7.603 22.435 159 HB THR 23 HB THR 23 -20.493 9.535 24.700 160 HG1 THR 23 HG1 THR 23 -22.180 10.294 23.047 161 HG21 THR 23 HG21 THR 23 -19.824 9.871 21.771 162 HG22 THR 23 HG22 THR 23 -18.750 10.167 23.140 163 HG23 THR 23 HG23 THR 23 -20.163 11.199 22.883 164 H LYS 24 HN LYS 24 -19.658 7.712 25.947 165 HA LYS 24 HA LYS 24 -16.993 8.626 25.940 166 HB2 LYS 24 HB2 LYS 24 -18.587 7.124 28.025 167 HB3 LYS 24 HB1 LYS 24 -16.977 7.743 28.315 168 HG2 LYS 24 HG2 LYS 24 -18.640 9.232 29.258 169 HG3 LYS 24 HG1 LYS 24 -17.804 10.036 27.932 170 HD2 LYS 24 HD2 LYS 24 -19.666 9.818 26.495 171 HD3 LYS 24 HD1 LYS 24 -20.460 8.655 27.552 172 HE2 LYS 24 HE2 LYS 24 -20.666 10.445 29.254 173 HE3 LYS 24 HE1 LYS 24 -19.991 11.563 28.067 174 HZ1 LYS 24 HZ1 LYS 24 -22.450 11.577 28.219 175 HZ2 LYS 24 HZ2 LYS 24 -22.459 10.000 27.605 176 HZ3 LYS 24 HZ3 LYS 24 -21.857 11.269 26.657 177 H GLN 25 HN GLN 25 -18.396 5.435 25.969 178 HA GLN 25 HA GLN 25 -16.047 3.979 26.481 179 HB2 GLN 25 HB2 GLN 25 -18.643 3.196 25.164 180 HB3 GLN 25 HB1 GLN 25 -17.371 2.056 25.582 181 HG2 GLN 25 HG2 GLN 25 -17.596 2.572 27.897 182 HG3 GLN 25 HG1 GLN 25 -18.778 3.832 27.555 183 HE21 GLN 25 HE21 GLN 25 -20.282 2.821 28.879 184 HE22 GLN 25 HE22 GLN 25 -21.124 1.392 28.389 185 H ILE 26 HN ILE 26 -17.838 4.272 23.410 186 HA ILE 26 HA ILE 26 -15.788 3.023 21.949 187 HB ILE 26 HB ILE 26 -18.309 3.184 21.431 188 HG12 ILE 26 HG12 ILE 26 -16.418 3.587 19.128 189 HG13 ILE 26 HG11 ILE 26 -16.503 2.110 20.091 190 HG21 ILE 26 HG21 ILE 26 -18.510 5.604 21.378 191 HG22 ILE 26 HG22 ILE 26 -18.934 4.904 19.813 192 HG23 ILE 26 HG23 ILE 26 -17.370 5.681 20.033 193 HD11 ILE 26 HD11 ILE 26 -18.851 1.860 19.461 194 HD12 ILE 26 HD12 ILE 26 -17.779 1.852 18.066 195 HD13 ILE 26 HD13 ILE 26 -18.725 3.296 18.447 196 H LEU 27 HN LEU 27 -16.450 6.374 22.684 197 HA LEU 27 HA LEU 27 -14.873 7.563 20.680 198 HB2 LEU 27 HB2 LEU 27 -16.545 8.783 22.020 199 HB3 LEU 27 HB1 LEU 27 -15.542 8.612 23.438 200 HG LEU 27 HG LEU 27 -15.604 10.870 22.182 201 HD11 LEU 27 HD11 LEU 27 -12.962 9.621 22.890 202 HD12 LEU 27 HD12 LEU 27 -14.075 10.418 24.005 203 HD13 LEU 27 HD13 LEU 27 -13.285 11.343 22.729 204 HD21 LEU 27 HD21 LEU 27 -13.903 11.089 20.436 205 HD22 LEU 27 HD22 LEU 27 -15.248 10.053 19.953 206 HD23 LEU 27 HD23 LEU 27 -13.705 9.338 20.439 207 H ALA 28 HN ALA 28 -14.068 6.445 23.935 208 HA ALA 28 HA ALA 28 -11.479 7.486 24.071 209 HB1 ALA 28 HB1 ALA 28 -12.698 6.546 25.989 210 HB2 ALA 28 HB2 ALA 28 -11.081 5.860 25.827 211 HB3 ALA 28 HB3 ALA 28 -12.486 4.929 25.316 212 H TYR 29 HN TYR 29 -12.692 4.696 22.369 213 HA TYR 29 HA TYR 29 -10.054 3.571 21.939 214 HB2 TYR 29 HB2 TYR 29 -11.931 2.044 22.227 215 HB3 TYR 29 HB1 TYR 29 -12.768 2.772 20.859 216 HD1 TYR 29 HD1 TYR 29 -9.865 0.699 21.831 217 HD2 TYR 29 HD2 TYR 29 -12.288 2.094 18.633 218 HE1 TYR 29 HE1 TYR 29 -8.814 -0.941 20.327 219 HE2 TYR 29 HE2 TYR 29 -11.248 0.467 17.118 220 HH TYR 29 HH TYR 29 -9.329 -2.104 18.233 221 H PHE 30 HN PHE 30 -12.563 5.123 19.961 222 HA PHE 30 HA PHE 30 -10.878 4.992 17.620 223 HB2 PHE 30 HB2 PHE 30 -13.666 5.982 18.087 224 HB3 PHE 30 HB1 PHE 30 -12.827 6.268 16.565 225 HD1 PHE 30 HD2 PHE 30 -12.322 4.445 15.059 226 HD2 PHE 30 HD1 PHE 30 -14.395 3.773 18.709 227 HE1 PHE 30 HE2 PHE 30 -13.009 2.223 14.252 228 HE2 PHE 30 HE1 PHE 30 -15.086 1.548 17.914 229 HZ PHE 30 HZ PHE 30 -14.397 0.772 15.679 230 H ALA 31 HN ALA 31 -11.090 7.135 20.155 231 HA ALA 31 HA ALA 31 -10.910 9.636 18.946 232 HB1 ALA 31 HB1 ALA 31 -11.223 9.398 21.306 233 HB2 ALA 31 HB2 ALA 31 -9.775 10.361 21.003 234 HB3 ALA 31 HB3 ALA 31 -9.630 8.668 21.487 235 H GLN 32 HN GLN 32 -8.582 7.091 19.129 236 HA GLN 32 HA GLN 32 -6.189 8.444 18.621 237 HB2 GLN 32 HB2 GLN 32 -7.162 5.734 17.682 238 HB3 GLN 32 HB1 GLN 32 -5.516 6.300 17.451 239 HG2 GLN 32 HG2 GLN 32 -6.820 5.977 20.145 240 HG3 GLN 32 HG1 GLN 32 -5.827 4.745 19.370 241 HE21 GLN 32 HE21 GLN 32 -5.430 6.181 21.884 242 HE22 GLN 32 HE22 GLN 32 -3.879 6.953 21.744 243 H PHE 33 HN PHE 33 -8.947 7.812 16.645 244 HA PHE 33 HA PHE 33 -7.558 8.755 14.233 245 HB2 PHE 33 HB2 PHE 33 -10.202 7.306 14.486 246 HB3 PHE 33 HB1 PHE 33 -9.388 7.727 12.981 247 HD1 PHE 33 HD2 PHE 33 -7.183 6.629 12.457 248 HD2 PHE 33 HD1 PHE 33 -9.693 5.363 15.649 249 HE1 PHE 33 HE2 PHE 33 -6.002 4.474 12.528 250 HE2 PHE 33 HE1 PHE 33 -8.521 3.209 15.733 251 HZ PHE 33 HZ PHE 33 -6.670 2.757 14.169 252 H GLY 34 HN GLY 34 -10.618 9.101 16.075 253 HA2 GLY 34 HA2 GLY 34 -10.709 11.905 15.794 254 HA3 GLY 34 HA1 GLY 34 -11.706 11.186 14.539 255 H GLU 35 HN GLU 35 -13.377 12.448 15.696 256 HA GLU 35 HA GLU 35 -14.267 11.309 18.236 257 HB2 GLU 35 HB2 GLU 35 -14.071 13.763 17.845 258 HB3 GLU 35 HB1 GLU 35 -15.396 13.642 16.705 259 HG2 GLU 35 HG2 GLU 35 -16.918 13.046 18.424 260 HG3 GLU 35 HG1 GLU 35 -15.602 12.824 19.579 261 H ILE 36 HN ILE 36 -16.596 10.783 18.472 262 HA ILE 36 HA ILE 36 -17.449 9.407 16.030 263 HB ILE 36 HB ILE 36 -18.149 8.654 18.867 264 HG12 ILE 36 HG12 ILE 36 -15.764 8.349 18.454 265 HG13 ILE 36 HG11 ILE 36 -16.569 6.787 18.521 266 HG21 ILE 36 HG21 ILE 36 -18.951 6.594 17.867 267 HG22 ILE 36 HG22 ILE 36 -18.521 7.198 16.266 268 HG23 ILE 36 HG23 ILE 36 -19.799 7.992 17.192 269 HD11 ILE 36 HD11 ILE 36 -14.939 6.818 16.749 270 HD12 ILE 36 HD12 ILE 36 -15.687 8.254 16.051 271 HD13 ILE 36 HD13 ILE 36 -16.561 6.723 16.053 272 H LEU 37 HN LEU 37 -19.280 10.261 18.969 273 HA LEU 37 HA LEU 37 -21.092 11.759 17.273 274 HB2 LEU 37 HB2 LEU 37 -23.075 10.549 18.390 275 HB3 LEU 37 HB1 LEU 37 -22.231 9.761 17.080 276 HG LEU 37 HG LEU 37 -20.958 8.458 18.857 277 HD11 LEU 37 HD11 LEU 37 -21.924 8.298 21.030 278 HD12 LEU 37 HD12 LEU 37 -23.173 9.466 20.592 279 HD13 LEU 37 HD13 LEU 37 -21.485 9.973 20.688 280 HD21 LEU 37 HD21 LEU 37 -23.942 8.082 18.671 281 HD22 LEU 37 HD22 LEU 37 -22.775 6.864 19.195 282 HD23 LEU 37 HD23 LEU 37 -22.741 7.464 17.535 283 H GLU 38 HN GLU 38 -23.135 12.311 18.950 284 HA GLU 38 HA GLU 38 -22.064 14.521 20.325 285 HB2 GLU 38 HB2 GLU 38 -24.841 13.335 20.480 286 HB3 GLU 38 HB1 GLU 38 -24.390 14.955 20.984 287 HG2 GLU 38 HG2 GLU 38 -24.203 13.885 18.179 288 HG3 GLU 38 HG1 GLU 38 -25.503 14.900 18.800 289 H ASP 39 HN ASP 39 -22.790 15.086 22.626 290 HA ASP 39 HA ASP 39 -22.523 14.907 24.818 291 HB2 ASP 39 HB2 ASP 39 -24.068 12.363 24.357 292 HB3 ASP 39 HB1 ASP 39 -23.783 13.132 25.910 293 H LEU 40 HN LEU 40 -20.212 14.678 24.607 294 HA LEU 40 HA LEU 40 -19.146 11.995 24.936 295 HB2 LEU 40 HB2 LEU 40 -17.784 14.644 24.623 296 HB3 LEU 40 HB1 LEU 40 -16.942 13.128 24.860 297 HG LEU 40 HG LEU 40 -18.248 12.366 22.754 298 HD11 LEU 40 HD11 LEU 40 -18.671 14.180 21.174 299 HD12 LEU 40 HD12 LEU 40 -18.316 15.355 22.440 300 HD13 LEU 40 HD13 LEU 40 -19.709 14.287 22.597 301 HD21 LEU 40 HD21 LEU 40 -15.972 14.321 22.618 302 HD22 LEU 40 HD22 LEU 40 -16.417 13.149 21.375 303 HD23 LEU 40 HD23 LEU 40 -15.846 12.594 22.949 304 H GLU 41 HN GLU 41 -19.679 14.844 26.833 305 HA GLU 41 HA GLU 41 -18.990 15.531 28.895 306 HB2 GLU 41 HB2 GLU 41 -19.704 12.650 29.508 307 HB3 GLU 41 HB1 GLU 41 -19.503 13.908 30.711 308 HG2 GLU 41 HG2 GLU 41 -21.382 15.127 29.845 309 HG3 GLU 41 HG1 GLU 41 -21.550 13.987 28.514 310 H SER 42 HN SER 42 -17.910 12.335 29.761 311 HA SER 42 HA SER 42 -15.202 13.280 30.137 312 HB2 SER 42 HB2 SER 42 -16.317 10.511 30.631 313 HB3 SER 42 HB1 SER 42 -14.854 11.217 31.325 314 HG SER 42 HG SER 42 -16.030 12.378 32.701 315 H GLU 43 HN GLU 43 -14.415 13.515 28.110 316 HA GLU 43 HA GLU 43 -14.922 11.822 25.927 317 HB2 GLU 43 HB2 GLU 43 -12.606 13.711 26.337 318 HB3 GLU 43 HB1 GLU 43 -13.192 13.089 24.796 319 HG2 GLU 43 HG2 GLU 43 -15.296 14.236 25.085 320 HG3 GLU 43 HG1 GLU 43 -14.790 14.807 26.672 321 H LEU 44 HN LEU 44 -11.645 12.346 27.203 322 HA LEU 44 HA LEU 44 -11.220 9.579 27.677 323 HB2 LEU 44 HB2 LEU 44 -9.499 9.162 25.992 324 HB3 LEU 44 HB1 LEU 44 -11.065 9.464 25.274 325 HG LEU 44 HG LEU 44 -9.128 11.730 25.462 326 HD11 LEU 44 HD11 LEU 44 -7.820 9.877 24.583 327 HD12 LEU 44 HD12 LEU 44 -8.138 11.095 23.353 328 HD13 LEU 44 HD13 LEU 44 -9.054 9.586 23.359 329 HD21 LEU 44 HD21 LEU 44 -10.249 12.412 23.424 330 HD22 LEU 44 HD22 LEU 44 -11.436 12.065 24.685 331 HD23 LEU 44 HD23 LEU 44 -11.153 10.897 23.396 332 H GLY 45 HN GLY 45 -9.437 12.589 26.840 333 HA2 GLY 45 HA2 GLY 45 -7.906 13.755 28.125 334 HA3 GLY 45 HA1 GLY 45 -8.156 12.593 29.421 335 H ASP 46 HN ASP 46 -7.535 10.792 26.776 336 HA ASP 46 HA ASP 46 -4.783 10.359 27.637 337 HB2 ASP 46 HB2 ASP 46 -6.184 8.381 27.491 338 HB3 ASP 46 HB1 ASP 46 -6.559 8.725 25.807 339 H THR 47 HN THR 47 -5.958 9.835 24.358 340 HA THR 47 HA THR 47 -3.641 11.248 23.320 341 HB THR 47 HB THR 47 -4.206 9.029 22.386 342 HG1 THR 47 HG1 THR 47 -4.664 11.076 20.465 343 HG21 THR 47 HG21 THR 47 -6.738 10.396 21.486 344 HG22 THR 47 HG22 THR 47 -6.612 9.056 22.625 345 HG23 THR 47 HG23 THR 47 -6.207 8.808 20.923 346 H GLU 48 HN GLU 48 -5.515 12.832 24.581 347 HA GLU 48 HA GLU 48 -7.520 13.992 23.025 348 HB2 GLU 48 HB2 GLU 48 -6.841 14.160 25.559 349 HB3 GLU 48 HB1 GLU 48 -5.961 15.571 24.990 350 HG2 GLU 48 HG2 GLU 48 -8.081 16.265 25.818 351 HG3 GLU 48 HG1 GLU 48 -8.066 16.460 24.063 352 H THR 49 HN THR 49 -4.083 14.441 23.033 353 HA THR 49 HA THR 49 -3.902 16.956 21.788 354 HB THR 49 HB THR 49 -1.592 16.120 21.144 355 HG1 THR 49 HG1 THR 49 -1.073 14.087 22.319 356 HG21 THR 49 HG21 THR 49 -2.373 15.812 24.054 357 HG22 THR 49 HG22 THR 49 -2.069 17.350 23.249 358 HG23 THR 49 HG23 THR 49 -0.763 16.183 23.433 359 H MET 50 HN MET 50 -4.359 13.707 20.550 360 HA MET 50 HA MET 50 -4.212 14.727 17.797 361 HB2 MET 50 HB2 MET 50 -2.656 12.906 18.278 362 HB3 MET 50 HB1 MET 50 -3.990 11.893 18.817 363 HG2 MET 50 HG2 MET 50 -4.910 11.876 16.568 364 HG3 MET 50 HG1 MET 50 -3.616 12.942 16.016 365 HE1 MET 50 HE1 MET 50 -4.465 9.399 17.498 366 HE2 MET 50 HE2 MET 50 -3.250 10.023 18.612 367 HE3 MET 50 HE3 MET 50 -2.870 8.658 17.569 368 H ARG 51 HN ARG 51 -6.154 15.302 17.097 369 HA ARG 51 HA ARG 51 -8.392 13.402 17.332 370 HB2 ARG 51 HB2 ARG 51 -8.467 16.385 17.742 371 HB3 ARG 51 HB1 ARG 51 -9.901 15.418 17.454 372 HG2 ARG 51 HG2 ARG 51 -8.048 14.907 19.757 373 HG3 ARG 51 HG1 ARG 51 -9.405 16.035 19.853 374 HD2 ARG 51 HD2 ARG 51 -10.739 13.954 18.914 375 HD3 ARG 51 HD1 ARG 51 -9.395 13.055 19.627 376 HE ARG 51 HE ARG 51 -9.966 14.020 21.763 377 HH11 ARG 51 HH11 ARG 51 -12.397 14.359 19.243 378 HH12 ARG 51 HH12 ARG 51 -13.675 14.789 20.330 379 HH21 ARG 51 HH21 ARG 51 -11.596 14.590 23.188 380 HH22 ARG 51 HH22 ARG 51 -13.205 14.944 22.630 381 H THR 52 HN THR 52 -7.819 12.755 15.194 382 HA THR 52 HA THR 52 -8.013 12.737 12.940 383 HB THR 52 HB THR 52 -9.709 15.210 13.273 384 HG1 THR 52 HG1 THR 52 -10.134 12.479 13.699 385 HG21 THR 52 HG21 THR 52 -10.734 14.485 11.160 386 HG22 THR 52 HG22 THR 52 -9.590 13.144 11.072 387 HG23 THR 52 HG23 THR 52 -9.011 14.804 10.958 388 HA PRO 53 HA PRO 53 -4.569 15.391 11.933 389 HB2 PRO 53 HB2 PRO 53 -3.876 14.142 9.658 390 HB3 PRO 53 HB1 PRO 53 -3.633 13.380 11.237 391 HG2 PRO 53 HG2 PRO 53 -5.849 12.967 9.250 392 HG3 PRO 53 HG1 PRO 53 -4.917 11.753 10.153 393 HD2 PRO 53 HD2 PRO 53 -7.397 12.605 10.927 394 HD3 PRO 53 HD1 PRO 53 -6.154 12.051 12.068 395 H GLY 54 HN GLY 54 -7.057 16.613 11.380 396 HA2 GLY 54 HA2 GLY 54 -6.406 17.958 8.884 397 HA3 GLY 54 HA1 GLY 54 -7.936 17.100 8.890 398 H TYR 55 HN TYR 55 -9.127 17.668 11.229 399 HA TYR 55 HA TYR 55 -9.094 20.565 11.454 400 HB2 TYR 55 HB2 TYR 55 -11.550 18.854 10.998 401 HB3 TYR 55 HB1 TYR 55 -11.593 20.547 11.459 402 HD1 TYR 55 HD2 TYR 55 -10.954 22.297 9.844 403 HD2 TYR 55 HD1 TYR 55 -11.017 18.186 8.741 404 HE1 TYR 55 HE2 TYR 55 -10.905 22.937 7.468 405 HE2 TYR 55 HE1 TYR 55 -10.970 18.817 6.364 406 HH TYR 55 HH TYR 55 -10.305 22.010 5.315 407 H PHE 56 HN PHE 56 -10.336 21.277 13.310 408 HA PHE 56 HA PHE 56 -9.710 19.637 15.612 409 HB2 PHE 56 HB2 PHE 56 -10.658 22.493 15.364 410 HB3 PHE 56 HB1 PHE 56 -10.446 21.678 16.908 411 HD1 PHE 56 HD2 PHE 56 -8.215 20.939 17.619 412 HD2 PHE 56 HD1 PHE 56 -8.799 23.318 14.142 413 HE1 PHE 56 HE2 PHE 56 -5.833 21.540 17.639 414 HE2 PHE 56 HE1 PHE 56 -6.417 23.930 14.152 415 HZ PHE 56 HZ PHE 56 -4.928 23.037 15.902 416 H PHE 57 HN PHE 57 -11.259 19.493 17.401 417 HA PHE 57 HA PHE 57 -13.868 18.678 16.351 418 HB2 PHE 57 HB2 PHE 57 -14.032 17.362 18.383 419 HB3 PHE 57 HB1 PHE 57 -12.554 16.947 17.537 420 HD1 PHE 57 HD2 PHE 57 -10.420 17.997 18.415 421 HD2 PHE 57 HD1 PHE 57 -14.091 17.999 20.528 422 HE1 PHE 57 HE2 PHE 57 -9.224 18.431 20.483 423 HE2 PHE 57 HE1 PHE 57 -12.915 18.436 22.598 424 HZ PHE 57 HZ PHE 57 -10.452 18.660 22.608 425 H GLN 58 HN GLN 58 -12.873 21.401 17.293 426 HA GLN 58 HA GLN 58 -14.093 22.120 19.697 427 HB2 GLN 58 HB2 GLN 58 -12.473 23.578 18.597 428 HB3 GLN 58 HB1 GLN 58 -13.597 23.867 17.279 429 HG2 GLN 58 HG2 GLN 58 -15.112 25.026 18.777 430 HG3 GLN 58 HG1 GLN 58 -14.081 24.634 20.150 431 HE21 GLN 58 HE21 GLN 58 -14.945 27.238 19.064 432 HE22 GLN 58 HE22 GLN 58 -13.490 28.115 18.767 433 H GLN 59 HN GLN 59 -16.072 21.489 20.072 434 HA GLN 59 HA GLN 59 -18.167 21.622 18.140 435 HB2 GLN 59 HB2 GLN 59 -18.215 20.983 21.089 436 HB3 GLN 59 HB1 GLN 59 -19.574 20.766 19.990 437 HG2 GLN 59 HG2 GLN 59 -18.240 19.120 18.727 438 HG3 GLN 59 HG1 GLN 59 -16.923 19.331 19.880 439 HE21 GLN 59 HE21 GLN 59 -18.298 16.911 19.275 440 HE22 GLN 59 HE22 GLN 59 -19.069 16.390 20.732 441 H ALA 60 HN ALA 60 -18.367 23.789 17.644 442 HA ALA 60 HA ALA 60 -18.991 25.701 19.732 443 HB1 ALA 60 HB1 ALA 60 -17.604 26.412 17.855 444 HB2 ALA 60 HB2 ALA 60 -19.110 27.329 17.890 445 HB3 ALA 60 HB3 ALA 60 -18.904 26.016 16.735 446 HA PRO 61 HA PRO 61 -23.337 24.597 19.666 447 HB2 PRO 61 HB2 PRO 61 -23.588 27.275 20.949 448 HB3 PRO 61 HB1 PRO 61 -24.188 25.704 21.493 449 HG2 PRO 61 HG2 PRO 61 -22.077 26.798 22.665 450 HG3 PRO 61 HG1 PRO 61 -22.123 25.054 22.334 451 HD2 PRO 61 HD2 PRO 61 -20.673 27.224 20.863 452 HD3 PRO 61 HD1 PRO 61 -20.134 25.579 21.283 453 H ASN 62 HN ASN 62 -22.154 27.727 18.571 454 HA ASN 62 HA ASN 62 -24.636 28.294 17.146 455 HB2 ASN 62 HB2 ASN 62 -22.067 29.864 17.446 456 HB3 ASN 62 HB1 ASN 62 -23.444 30.416 16.501 457 HD21 ASN 62 HD21 ASN 62 -22.145 31.493 18.940 458 HD22 ASN 62 HD22 ASN 62 -23.424 31.661 20.093 459 H ARG 63 HN ARG 63 -22.259 26.279 16.547 460 HA ARG 63 HA ARG 63 -22.494 26.534 13.650 461 HB2 ARG 63 HB2 ARG 63 -19.915 26.463 15.196 462 HB3 ARG 63 HB1 ARG 63 -19.997 25.820 13.567 463 HG2 ARG 63 HG2 ARG 63 -20.810 28.615 14.268 464 HG3 ARG 63 HG1 ARG 63 -19.176 28.168 13.777 465 HD2 ARG 63 HD2 ARG 63 -19.971 27.326 11.668 466 HD3 ARG 63 HD1 ARG 63 -21.647 27.590 12.152 467 HE ARG 63 HE ARG 63 -20.492 30.058 12.345 468 HH11 ARG 63 HH11 ARG 63 -20.804 27.667 9.782 469 HH12 ARG 63 HH12 ARG 63 -20.845 28.844 8.514 470 HH21 ARG 63 HH21 ARG 63 -20.554 31.615 10.669 471 HH22 ARG 63 HH22 ARG 63 -20.693 31.106 9.022 472 H ARG 64 HN ARG 64 -20.973 24.547 12.870 473 HA ARG 64 HA ARG 64 -22.328 22.177 13.564 474 HB2 ARG 64 HB2 ARG 64 -20.533 21.135 12.117 475 HB3 ARG 64 HB1 ARG 64 -21.509 22.391 11.368 476 HG2 ARG 64 HG2 ARG 64 -19.713 24.018 11.895 477 HG3 ARG 64 HG1 ARG 64 -18.726 22.668 12.439 478 HD2 ARG 64 HD2 ARG 64 -18.725 21.718 10.277 479 HD3 ARG 64 HD1 ARG 64 -19.937 22.870 9.717 480 HE ARG 64 HE ARG 64 -17.763 24.326 10.672 481 HH11 ARG 64 HH11 ARG 64 -18.473 22.131 8.024 482 HH12 ARG 64 HH12 ARG 64 -17.332 22.857 6.950 483 HH21 ARG 64 HH21 ARG 64 -16.246 25.271 9.269 484 HH22 ARG 64 HH22 ARG 64 -16.046 24.648 7.665 485 H ARG 65 HN ARG 65 -21.916 20.779 15.165 486 HA ARG 65 HA ARG 65 -19.731 21.209 16.982 487 HB2 ARG 65 HB2 ARG 65 -21.773 18.983 16.801 488 HB3 ARG 65 HB1 ARG 65 -20.665 19.238 18.137 489 HG2 ARG 65 HG2 ARG 65 -21.731 21.353 18.652 490 HG3 ARG 65 HG1 ARG 65 -22.826 21.144 17.278 491 HD2 ARG 65 HD2 ARG 65 -23.639 19.051 18.286 492 HD3 ARG 65 HD1 ARG 65 -22.596 19.339 19.674 493 HE ARG 65 HE ARG 65 -24.256 21.563 19.308 494 HH11 ARG 65 HH11 ARG 65 -24.448 18.178 20.221 495 HH12 ARG 65 HH12 ARG 65 -25.828 18.404 21.251 496 HH21 ARG 65 HH21 ARG 65 -26.109 21.861 20.646 497 HH22 ARG 65 HH22 ARG 65 -26.790 20.492 21.463 498 H ILE 66 HN ILE 66 -20.828 18.451 15.106 499 HA ILE 66 HA ILE 66 -18.078 17.505 14.915 500 HB ILE 66 HB ILE 66 -19.611 15.842 15.856 501 HG12 ILE 66 HG12 ILE 66 -18.875 15.204 12.981 502 HG13 ILE 66 HG11 ILE 66 -17.827 15.020 14.375 503 HG21 ILE 66 HG21 ILE 66 -21.254 16.163 13.356 504 HG22 ILE 66 HG22 ILE 66 -21.685 16.745 14.966 505 HG23 ILE 66 HG23 ILE 66 -21.545 15.011 14.665 506 HD11 ILE 66 HD11 ILE 66 -20.331 13.460 13.785 507 HD12 ILE 66 HD12 ILE 66 -19.355 13.285 15.245 508 HD13 ILE 66 HD13 ILE 66 -18.672 12.884 13.675 509 H SER 67 HN SER 67 -17.283 16.851 12.860 510 HA SER 67 HA SER 67 -17.768 18.671 10.822 511 HB2 SER 67 HB2 SER 67 -15.629 17.445 11.124 512 HB3 SER 67 HB1 SER 67 -16.418 15.970 10.570 513 HG SER 67 HG SER 67 -15.983 18.351 9.094 514 H ARG 68 HN ARG 68 -19.066 15.394 11.241 515 HA ARG 68 HA ARG 68 -20.735 15.890 8.875 516 HB2 ARG 68 HB2 ARG 68 -19.696 13.220 9.834 517 HB3 ARG 68 HB1 ARG 68 -20.799 13.464 8.485 518 HG2 ARG 68 HG2 ARG 68 -17.980 14.511 8.641 519 HG3 ARG 68 HG1 ARG 68 -18.512 13.098 7.722 520 HD2 ARG 68 HD2 ARG 68 -19.962 14.505 6.368 521 HD3 ARG 68 HD1 ARG 68 -19.507 15.914 7.320 522 HE ARG 68 HE ARG 68 -17.696 14.445 5.517 523 HH11 ARG 68 HH11 ARG 68 -18.594 17.394 7.223 524 HH12 ARG 68 HH12 ARG 68 -17.400 18.356 6.421 525 HH21 ARG 68 HH21 ARG 68 -16.129 15.754 4.450 526 HH22 ARG 68 HH22 ARG 68 -16.008 17.432 4.855 527 H GLU 69 HN GLU 69 -22.875 15.161 8.916 528 HA GLU 69 HA GLU 69 -24.083 15.451 11.489 529 HB2 GLU 69 HB2 GLU 69 -26.208 15.334 10.294 530 HB3 GLU 69 HB1 GLU 69 -25.102 16.467 9.534 531 HG2 GLU 69 HG2 GLU 69 -24.542 14.593 7.908 532 HG3 GLU 69 HG1 GLU 69 -25.928 13.742 8.591 533 H HIS 70 HN HIS 70 -25.850 14.017 12.249 534 HA HIS 70 HA HIS 70 -24.917 11.226 12.147 535 HB2 HIS 70 HB2 HIS 70 -26.658 12.523 14.264 536 HB3 HIS 70 HB1 HIS 70 -25.937 10.923 14.327 537 HD2 HIS 70 HD2 HIS 70 -25.259 14.335 15.656 538 HE1 HIS 70 HE1 HIS 70 -21.469 12.455 15.491 539 HE2 HIS 70 HE2 HIS 70 -22.788 14.426 16.387 540 H GLY 71 HN GLY 71 -26.382 9.563 11.858 541 HA2 GLY 71 HA2 GLY 71 -28.950 10.385 10.711 542 HA3 GLY 71 HA1 GLY 71 -28.171 8.824 10.477 543 H ARG 72 HN ARG 72 -28.397 7.228 12.016 544 HA ARG 72 HA ARG 72 -30.196 7.788 14.277 545 HB2 ARG 72 HB2 ARG 72 -30.364 5.478 12.337 546 HB3 ARG 72 HB1 ARG 72 -31.137 5.462 13.916 547 HG2 ARG 72 HG2 ARG 72 -32.511 7.361 13.297 548 HG3 ARG 72 HG1 ARG 72 -31.697 7.462 11.734 549 HD2 ARG 72 HD2 ARG 72 -32.557 5.295 11.102 550 HD3 ARG 72 HD1 ARG 72 -33.253 5.059 12.696 551 HE ARG 72 HE ARG 72 -34.252 7.414 11.453 552 HH11 ARG 72 HH11 ARG 72 -34.550 3.922 11.408 553 HH12 ARG 72 HH12 ARG 72 -36.222 3.945 10.960 554 HH21 ARG 72 HH21 ARG 72 -36.466 7.442 10.863 555 HH22 ARG 72 HH22 ARG 72 -37.313 5.947 10.649 556 H THR 73 HN THR 73 -28.838 4.721 13.329 557 HA THR 73 HA THR 73 -27.211 4.807 15.764 558 HB THR 73 HB THR 73 -27.362 2.269 15.514 559 HG1 THR 73 HG1 THR 73 -29.818 2.373 14.398 560 HG21 THR 73 HG21 THR 73 -29.813 3.878 16.214 561 HG22 THR 73 HG22 THR 73 -28.476 3.489 17.299 562 HG23 THR 73 HG23 THR 73 -29.528 2.208 16.704 563 H TRP 74 HN TRP 74 -26.647 5.672 12.983 564 HA TRP 74 HA TRP 74 -24.196 4.145 12.580 565 HB2 TRP 74 HB2 TRP 74 -24.543 4.356 10.099 566 HB3 TRP 74 HB1 TRP 74 -25.689 3.284 10.897 567 HD1 TRP 74 HD1 TRP 74 -28.249 3.986 10.909 568 HE1 TRP 74 HE1 TRP 74 -29.584 5.719 9.558 569 HE3 TRP 74 HE3 TRP 74 -24.365 6.746 9.040 570 HZ2 TRP 74 HZ2 TRP 74 -29.071 7.958 7.919 571 HZ3 TRP 74 HZ3 TRP 74 -24.875 8.665 7.589 572 HH2 TRP 74 HH2 TRP 74 -27.180 9.257 7.042 573 H THR 75 HN THR 75 -22.479 5.329 11.763 574 HA THR 75 HA THR 75 -22.888 8.226 11.443 575 HB THR 75 HB THR 75 -20.637 6.954 13.025 576 HG1 THR 75 HG1 THR 75 -23.148 7.619 13.736 577 HG21 THR 75 HG21 THR 75 -21.403 9.859 12.642 578 HG22 THR 75 HG22 THR 75 -19.998 9.061 11.933 579 HG23 THR 75 HG23 THR 75 -20.110 9.264 13.684 580 H LYS 76 HN LYS 76 -21.914 8.973 9.615 581 HA LYS 76 HA LYS 76 -20.118 7.195 8.184 582 HB2 LYS 76 HB2 LYS 76 -21.886 8.366 6.912 583 HB3 LYS 76 HB1 LYS 76 -21.190 9.918 7.343 584 HG2 LYS 76 HG2 LYS 76 -19.158 9.366 6.121 585 HG3 LYS 76 HG1 LYS 76 -19.816 7.785 5.720 586 HD2 LYS 76 HD2 LYS 76 -20.227 9.063 3.805 587 HD3 LYS 76 HD1 LYS 76 -21.764 9.097 4.670 588 HE2 LYS 76 HE2 LYS 76 -21.338 11.307 3.923 589 HE3 LYS 76 HE1 LYS 76 -21.035 11.286 5.664 590 HZ1 LYS 76 HZ1 LYS 76 -19.321 12.487 4.371 591 HZ2 LYS 76 HZ2 LYS 76 -18.921 11.047 3.594 592 HZ3 LYS 76 HZ3 LYS 76 -18.678 11.201 5.262 593 H LEU 77 HN LEU 77 -18.090 7.206 8.795 594 HA LEU 77 HA LEU 77 -16.990 9.599 10.027 595 HB2 LEU 77 HB2 LEU 77 -15.926 6.791 9.842 596 HB3 LEU 77 HB1 LEU 77 -15.124 8.110 10.673 597 HG LEU 77 HG LEU 77 -17.854 7.049 11.408 598 HD11 LEU 77 HD11 LEU 77 -16.135 5.371 11.814 599 HD12 LEU 77 HD12 LEU 77 -16.750 6.033 13.323 600 HD13 LEU 77 HD13 LEU 77 -15.180 6.553 12.709 601 HD21 LEU 77 HD21 LEU 77 -17.442 8.330 13.490 602 HD22 LEU 77 HD22 LEU 77 -17.587 9.347 12.055 603 HD23 LEU 77 HD23 LEU 77 -15.996 9.014 12.743 604 H THR 78 HN THR 78 -15.900 10.969 8.914 605 HA THR 78 HA THR 78 -14.405 10.092 6.554 606 HB THR 78 HB THR 78 -15.520 12.831 7.214 607 HG1 THR 78 HG1 THR 78 -16.423 10.623 5.765 608 HG21 THR 78 HG21 THR 78 -13.467 12.941 5.844 609 HG22 THR 78 HG22 THR 78 -14.887 13.401 4.907 610 HG23 THR 78 HG23 THR 78 -14.179 11.802 4.699 611 H TYR 79 HN TYR 79 -12.287 9.933 6.973 612 HA TYR 79 HA TYR 79 -11.111 11.708 9.030 613 HB2 TYR 79 HB2 TYR 79 -10.160 9.050 7.973 614 HB3 TYR 79 HB1 TYR 79 -9.309 10.037 9.156 615 HD1 TYR 79 HD2 TYR 79 -10.392 10.463 11.376 616 HD2 TYR 79 HD1 TYR 79 -11.918 7.580 8.644 617 HE1 TYR 79 HE2 TYR 79 -11.630 9.393 13.205 618 HE2 TYR 79 HE1 TYR 79 -13.165 6.505 10.471 619 HH TYR 79 HH TYR 79 -13.602 7.953 13.500 620 H ALA 80 HN ALA 80 -11.481 11.761 5.855 621 HA ALA 80 HA ALA 80 -10.506 12.888 4.146 622 HB1 ALA 80 HB1 ALA 80 -8.765 14.483 4.541 623 HB2 ALA 80 HB2 ALA 80 -8.331 13.716 6.061 624 HB3 ALA 80 HB3 ALA 80 -9.880 14.544 5.906 625 H ASN 81 HN ASN 81 -7.953 11.347 6.084 626 HA ASN 81 HA ASN 81 -6.463 10.637 3.713 627 HB2 ASN 81 HB2 ASN 81 -6.030 9.998 6.628 628 HB3 ASN 81 HB1 ASN 81 -4.973 9.431 5.337 629 HD21 ASN 81 HD21 ASN 81 -4.381 11.159 7.578 630 HD22 ASN 81 HD22 ASN 81 -3.793 12.630 6.893 631 H HIS 82 HN HIS 82 -6.151 8.615 2.892 632 HA HIS 82 HA HIS 82 -8.343 6.808 3.223 633 HB2 HIS 82 HB2 HIS 82 -7.325 5.490 1.485 634 HB3 HIS 82 HB1 HIS 82 -7.192 7.183 1.039 635 HD2 HIS 82 HD2 HIS 82 -4.966 4.106 1.507 636 HE1 HIS 82 HE1 HIS 82 -2.368 7.436 1.094 637 HE2 HIS 82 HE2 HIS 82 -2.589 4.940 0.934 638 H SER 83 HN SER 83 -5.216 7.151 4.573 639 HA SER 83 HA SER 83 -4.674 4.528 5.365 640 HB2 SER 83 HB2 SER 83 -3.958 7.048 6.872 641 HB3 SER 83 HB1 SER 83 -3.090 5.512 6.874 642 HG SER 83 HG SER 83 -2.192 5.999 5.023 643 H SER 84 HN SER 84 -6.235 7.191 7.155 644 HA SER 84 HA SER 84 -6.930 5.673 9.416 645 HB2 SER 84 HB2 SER 84 -8.301 8.141 8.349 646 HB3 SER 84 HB1 SER 84 -8.318 7.564 10.012 647 HG SER 84 HG SER 84 -6.195 8.097 10.230 648 H TYR 85 HN TYR 85 -8.491 6.282 6.363 649 HA TYR 85 HA TYR 85 -11.076 5.348 6.811 650 HB2 TYR 85 HB2 TYR 85 -10.623 6.459 4.764 651 HB3 TYR 85 HB1 TYR 85 -9.253 5.422 4.413 652 HD1 TYR 85 HD1 TYR 85 -12.930 5.697 4.256 653 HD2 TYR 85 HD2 TYR 85 -9.541 3.276 3.380 654 HE1 TYR 85 HE1 TYR 85 -14.315 4.285 2.781 655 HE2 TYR 85 HE2 TYR 85 -10.910 1.870 1.916 656 HH TYR 85 HH TYR 85 -13.984 2.761 0.863 657 H LEU 86 HN LEU 86 -8.207 3.556 5.669 658 HA LEU 86 HA LEU 86 -9.479 1.066 5.587 659 HB2 LEU 86 HB2 LEU 86 -7.496 1.603 4.293 660 HB3 LEU 86 HB1 LEU 86 -6.564 1.801 5.762 661 HG LEU 86 HG LEU 86 -6.994 -0.561 6.277 662 HD11 LEU 86 HD11 LEU 86 -7.708 -2.044 4.435 663 HD12 LEU 86 HD12 LEU 86 -8.073 -0.613 3.461 664 HD13 LEU 86 HD13 LEU 86 -8.980 -0.929 4.938 665 HD21 LEU 86 HD21 LEU 86 -4.901 0.201 5.265 666 HD22 LEU 86 HD22 LEU 86 -5.596 -0.049 3.662 667 HD23 LEU 86 HD23 LEU 86 -5.334 -1.421 4.730 668 H ARG 87 HN ARG 87 -7.671 2.776 8.061 669 HA ARG 87 HA ARG 87 -7.268 0.619 9.830 670 HB2 ARG 87 HB2 ARG 87 -7.515 3.565 10.419 671 HB3 ARG 87 HB1 ARG 87 -6.910 2.361 11.552 672 HG2 ARG 87 HG2 ARG 87 -5.665 3.008 8.885 673 HG3 ARG 87 HG1 ARG 87 -5.132 3.658 10.430 674 HD2 ARG 87 HD2 ARG 87 -5.252 0.706 9.820 675 HD3 ARG 87 HD1 ARG 87 -3.821 1.699 9.560 676 HE ARG 87 HE ARG 87 -4.377 2.222 12.120 677 HH11 ARG 87 HH11 ARG 87 -4.088 -0.817 10.377 678 HH12 ARG 87 HH12 ARG 87 -3.552 -1.701 11.759 679 HH21 ARG 87 HH21 ARG 87 -3.649 1.048 13.950 680 HH22 ARG 87 HH22 ARG 87 -3.287 -0.637 13.798 681 H ALA 88 HN ALA 88 -9.955 2.868 9.458 682 HA ALA 88 HA ALA 88 -11.358 1.995 11.799 683 HB1 ALA 88 HB1 ALA 88 -12.366 3.580 9.444 684 HB2 ALA 88 HB2 ALA 88 -11.627 4.258 10.898 685 HB3 ALA 88 HB3 ALA 88 -13.170 3.410 11.004 686 H LEU 89 HN LEU 89 -10.951 0.672 8.739 687 HA LEU 89 HA LEU 89 -13.509 -0.412 8.189 688 HB2 LEU 89 HB2 LEU 89 -11.678 -0.081 6.528 689 HB3 LEU 89 HB1 LEU 89 -10.808 -1.399 7.280 690 HG LEU 89 HG LEU 89 -12.682 -2.927 6.661 691 HD11 LEU 89 HD11 LEU 89 -13.643 -0.520 5.124 692 HD12 LEU 89 HD12 LEU 89 -14.480 -1.336 6.448 693 HD13 LEU 89 HD13 LEU 89 -14.236 -2.164 4.912 694 HD21 LEU 89 HD21 LEU 89 -10.621 -2.729 5.335 695 HD22 LEU 89 HD22 LEU 89 -11.388 -1.481 4.350 696 HD23 LEU 89 HD23 LEU 89 -12.023 -3.128 4.345 697 H ARG 90 HN ARG 90 -11.378 -1.183 10.612 698 HA ARG 90 HA ARG 90 -11.332 -3.970 10.717 699 HB2 ARG 90 HB2 ARG 90 -10.789 -3.684 13.125 700 HB3 ARG 90 HB1 ARG 90 -9.832 -2.664 12.061 701 HG2 ARG 90 HG2 ARG 90 -11.279 -0.751 12.616 702 HG3 ARG 90 HG1 ARG 90 -12.192 -1.780 13.724 703 HD2 ARG 90 HD2 ARG 90 -10.580 -0.500 14.981 704 HD3 ARG 90 HD1 ARG 90 -10.097 -2.196 14.982 705 HE ARG 90 HE ARG 90 -8.927 -0.503 12.932 706 HH11 ARG 90 HH11 ARG 90 -8.545 -2.007 16.076 707 HH12 ARG 90 HH12 ARG 90 -6.817 -1.964 16.032 708 HH21 ARG 90 HH21 ARG 90 -6.631 -0.455 12.878 709 HH22 ARG 90 HH22 ARG 90 -5.726 -1.076 14.214 710 H GLU 91 HN GLU 91 -13.389 -4.747 10.154 711 HA GLU 91 HA GLU 91 -15.521 -4.558 12.189 712 HB2 GLU 91 HB2 GLU 91 -16.066 -4.047 9.807 713 HB3 GLU 91 HB1 GLU 91 -15.601 -5.685 9.378 714 HG2 GLU 91 HG2 GLU 91 -17.378 -6.501 10.920 715 HG3 GLU 91 HG1 GLU 91 -17.893 -4.830 11.123 716 H HIS 92 HN HIS 92 -12.977 -6.512 11.245 717 HA HIS 92 HA HIS 92 -14.037 -9.088 11.309 718 HB2 HIS 92 HB2 HIS 92 -11.713 -9.842 11.648 719 HB3 HIS 92 HB1 HIS 92 -11.862 -8.663 10.361 720 HD2 HIS 92 HD2 HIS 92 -9.768 -9.273 13.454 721 HE1 HIS 92 HE1 HIS 92 -9.246 -5.180 12.493 722 HE2 HIS 92 HE2 HIS 92 -8.421 -7.111 13.869 723 H GLY 93 HN GLY 93 -15.444 -9.398 12.980 724 HA2 GLY 93 HA2 GLY 93 -16.077 -10.200 15.028 725 HA3 GLY 93 HA1 GLY 93 -14.384 -10.562 15.317 726 H THR 94 HN THR 94 -15.622 -7.344 14.672 727 HA THR 94 HA THR 94 -14.499 -6.445 17.177 728 HB THR 94 HB THR 94 -15.938 -4.760 15.119 729 HG1 THR 94 HG1 THR 94 -13.976 -4.503 14.096 730 HG21 THR 94 HG21 THR 94 -13.799 -4.083 17.149 731 HG22 THR 94 HG22 THR 94 -15.514 -3.709 17.311 732 HG23 THR 94 HG23 THR 94 -14.564 -2.956 16.030 733 H ILE 95 HN ILE 95 -15.899 -7.292 18.741 734 HA ILE 95 HA ILE 95 -18.673 -6.366 18.648 735 HB ILE 95 HB ILE 95 -17.389 -8.492 20.363 736 HG12 ILE 95 HG12 ILE 95 -19.470 -8.726 18.181 737 HG13 ILE 95 HG11 ILE 95 -17.758 -9.076 17.971 738 HG21 ILE 95 HG21 ILE 95 -20.277 -7.636 20.281 739 HG22 ILE 95 HG22 ILE 95 -19.135 -7.284 21.577 740 HG23 ILE 95 HG23 ILE 95 -19.600 -8.952 21.246 741 HD11 ILE 95 HD11 ILE 95 -17.934 -10.876 19.611 742 HD12 ILE 95 HD12 ILE 95 -19.036 -11.105 18.255 743 HD13 ILE 95 HD13 ILE 95 -19.652 -10.529 19.801 744 H TYR 96 HN TYR 96 -19.341 -4.813 19.897 745 HA TYR 96 HA TYR 96 -17.757 -4.116 22.258 746 HB2 TYR 96 HB2 TYR 96 -17.326 -2.692 20.123 747 HB3 TYR 96 HB1 TYR 96 -18.908 -2.000 20.465 748 HD1 TYR 96 HD1 TYR 96 -15.456 -2.343 21.620 749 HD2 TYR 96 HD2 TYR 96 -19.223 -0.516 22.348 750 HE1 TYR 96 HE1 TYR 96 -14.393 -0.810 23.208 751 HE2 TYR 96 HE2 TYR 96 -18.172 1.030 23.941 752 HH TYR 96 HH TYR 96 -14.830 1.444 24.173 753 H CYS 97 HN CYS 97 -19.004 -3.643 24.008 754 HA CYS 97 HA CYS 97 -20.811 -3.264 25.326 755 HB2 CYS 97 HB2 CYS 97 -21.417 -1.411 23.835 756 HB3 CYS 97 HB1 CYS 97 -22.241 -2.532 22.759 757 HG CYS 97 HG CYS 97 -23.290 -2.355 25.980 758 H GLY 98 HN GLY 98 -21.392 -5.180 22.439 759 HA2 GLY 98 HA2 GLY 98 -22.022 -7.535 23.671 760 HA3 GLY 98 HA1 GLY 98 -23.553 -6.672 23.608 761 H ALA 99 HN ALA 99 -22.883 -5.332 21.120 762 HA ALA 99 HA ALA 99 -23.242 -7.624 19.318 763 HB1 ALA 99 HB1 ALA 99 -24.226 -4.787 19.018 764 HB2 ALA 99 HB2 ALA 99 -25.200 -6.175 19.481 765 HB3 ALA 99 HB3 ALA 99 -24.492 -6.100 17.870 766 H ALA 100 HN ALA 100 -22.401 -7.321 17.115 767 HA ALA 100 HA ALA 100 -19.767 -6.124 17.203 768 HB1 ALA 100 HB1 ALA 100 -19.995 -8.338 16.205 769 HB2 ALA 100 HB2 ALA 100 -19.435 -7.166 15.005 770 HB3 ALA 100 HB3 ALA 100 -21.118 -7.694 15.009 771 H ILE 101 HN ILE 101 -19.124 -4.340 16.155 772 HA ILE 101 HA ILE 101 -21.208 -2.719 14.972 773 HB ILE 101 HB ILE 101 -19.506 -0.923 14.848 774 HG12 ILE 101 HG12 ILE 101 -17.677 -2.873 16.269 775 HG13 ILE 101 HG11 ILE 101 -17.502 -2.373 14.595 776 HG21 ILE 101 HG21 ILE 101 -19.294 -0.556 17.277 777 HG22 ILE 101 HG22 ILE 101 -19.815 -2.224 17.546 778 HG23 ILE 101 HG23 ILE 101 -20.912 -1.069 16.794 779 HD11 ILE 101 HD11 ILE 101 -17.111 -0.084 15.293 780 HD12 ILE 101 HD12 ILE 101 -15.966 -1.177 16.064 781 HD13 ILE 101 HD13 ILE 101 -17.340 -0.551 16.977 782 H GLY 102 HN GLY 102 -21.355 -2.172 12.884 783 HA2 GLY 102 HA2 GLY 102 -19.739 -3.815 11.081 784 HA3 GLY 102 HA1 GLY 102 -21.301 -3.101 10.706 785 H CYS 103 HN CYS 103 -18.071 -2.901 10.174 786 HA CYS 103 HA CYS 103 -18.198 -0.044 9.508 787 HB2 CYS 103 HB2 CYS 103 -15.742 -1.797 9.790 788 HB3 CYS 103 HB1 CYS 103 -15.765 -0.059 9.541 789 HG CYS 103 HG CYS 103 -15.089 -0.079 12.089 790 H VAL 104 HN VAL 104 -18.978 0.024 7.465 791 HA VAL 104 HA VAL 104 -17.629 -1.693 5.485 792 HB VAL 104 HB VAL 104 -19.714 -1.672 4.159 793 HG11 VAL 104 HG11 VAL 104 -19.247 -3.570 5.589 794 HG12 VAL 104 HG12 VAL 104 -20.981 -3.243 5.559 795 HG13 VAL 104 HG13 VAL 104 -20.018 -2.763 6.952 796 HG21 VAL 104 HG21 VAL 104 -21.820 -0.986 5.292 797 HG22 VAL 104 HG22 VAL 104 -20.727 0.345 4.935 798 HG23 VAL 104 HG23 VAL 104 -20.840 -0.285 6.584 799 HA PRO 105 HA PRO 105 -16.650 1.941 3.144 800 HB2 PRO 105 HB2 PRO 105 -17.449 0.539 0.668 801 HB3 PRO 105 HB1 PRO 105 -15.853 1.110 1.159 802 HG2 PRO 105 HG2 PRO 105 -16.464 -1.504 1.084 803 HG3 PRO 105 HG1 PRO 105 -15.361 -0.832 2.296 804 HD2 PRO 105 HD2 PRO 105 -18.232 -1.602 2.568 805 HD3 PRO 105 HD1 PRO 105 -16.886 -1.852 3.697 806 H TYR 106 HN TYR 106 -17.635 3.654 2.059 807 HA TYR 106 HA TYR 106 -20.339 4.103 2.495 808 HB2 TYR 106 HB2 TYR 106 -18.651 5.880 2.175 809 HB3 TYR 106 HB1 TYR 106 -18.541 5.449 0.476 810 HD1 TYR 106 HD1 TYR 106 -20.754 6.852 3.063 811 HD2 TYR 106 HD2 TYR 106 -20.130 6.285 -1.105 812 HE1 TYR 106 HE1 TYR 106 -22.560 8.440 2.596 813 HE2 TYR 106 HE2 TYR 106 -21.952 7.871 -1.601 814 HH TYR 106 HH TYR 106 -23.974 8.754 -0.466 815 H LYS 107 HN LYS 107 -21.806 2.732 1.655 816 HA LYS 107 HA LYS 107 -21.748 2.182 -1.215 817 HB2 LYS 107 HB2 LYS 107 -23.272 0.895 1.034 818 HB3 LYS 107 HB1 LYS 107 -23.575 0.548 -0.660 819 HG2 LYS 107 HG2 LYS 107 -21.343 -0.317 -0.925 820 HG3 LYS 107 HG1 LYS 107 -20.947 0.138 0.736 821 HD2 LYS 107 HD2 LYS 107 -21.463 -2.238 0.592 822 HD3 LYS 107 HD1 LYS 107 -22.659 -1.388 1.570 823 HE2 LYS 107 HE2 LYS 107 -24.203 -1.352 -0.339 824 HE3 LYS 107 HE1 LYS 107 -22.997 -2.172 -1.331 825 HZ1 LYS 107 HZ1 LYS 107 -24.699 -3.678 -0.470 826 HZ2 LYS 107 HZ2 LYS 107 -24.258 -3.308 1.112 827 HZ3 LYS 107 HZ3 LYS 107 -23.164 -4.095 0.094 828 H HIS 108 HN HIS 108 -23.255 2.958 -2.550 829 HA HIS 108 HA HIS 108 -24.804 5.172 -1.786 830 HB2 HIS 108 HB2 HIS 108 -23.955 4.873 -4.055 831 HB3 HIS 108 HB1 HIS 108 -24.997 3.473 -4.275 832 HD2 HIS 108 HD2 HIS 108 -25.412 7.375 -3.825 833 HE1 HIS 108 HE1 HIS 108 -28.803 5.835 -5.846 834 HE2 HIS 108 HE2 HIS 108 -27.698 7.891 -4.915 835 H GLU 109 HN GLU 109 -25.796 1.814 -2.521 836 HA GLU 109 HA GLU 109 -28.552 2.366 -2.096 837 HB2 GLU 109 HB2 GLU 109 -27.868 0.454 -3.472 838 HB3 GLU 109 HB1 GLU 109 -27.139 -0.310 -2.067 839 HG2 GLU 109 HG2 GLU 109 -29.309 -0.517 -1.011 840 HG3 GLU 109 HG1 GLU 109 -30.062 0.347 -2.344 841 H LEU 110 HN LEU 110 -25.958 1.364 -0.002 842 HA LEU 110 HA LEU 110 -27.444 0.416 2.177 843 HB2 LEU 110 HB2 LEU 110 -25.045 0.105 2.010 844 HB3 LEU 110 HB1 LEU 110 -24.783 1.831 2.131 845 HG LEU 110 HG LEU 110 -25.785 1.721 4.438 846 HD11 LEU 110 HD11 LEU 110 -25.484 -1.243 3.989 847 HD12 LEU 110 HD12 LEU 110 -26.995 -0.363 4.228 848 HD13 LEU 110 HD13 LEU 110 -25.819 -0.469 5.541 849 HD21 LEU 110 HD21 LEU 110 -23.742 0.877 5.459 850 HD22 LEU 110 HD22 LEU 110 -23.381 1.870 4.047 851 HD23 LEU 110 HD23 LEU 110 -23.285 0.112 3.936 852 H ILE 111 HN ILE 111 -26.414 3.687 1.322 853 HA ILE 111 HA ILE 111 -27.320 4.953 3.656 854 HB ILE 111 HB ILE 111 -27.213 6.111 0.856 855 HG12 ILE 111 HG12 ILE 111 -25.061 5.143 1.495 856 HG13 ILE 111 HG11 ILE 111 -24.957 6.897 1.470 857 HG21 ILE 111 HG21 ILE 111 -28.497 7.506 2.371 858 HG22 ILE 111 HG22 ILE 111 -26.951 8.275 2.014 859 HG23 ILE 111 HG23 ILE 111 -27.191 7.461 3.558 860 HD11 ILE 111 HD11 ILE 111 -25.172 6.913 3.925 861 HD12 ILE 111 HD12 ILE 111 -23.766 6.006 3.373 862 HD13 ILE 111 HD13 ILE 111 -25.205 5.150 3.916 863 H SER 112 HN SER 112 -28.913 4.276 0.556 864 HA SER 112 HA SER 112 -31.390 5.426 1.177 865 HB2 SER 112 HB2 SER 112 -30.773 3.088 -0.637 866 HB3 SER 112 HB1 SER 112 -32.298 3.976 -0.605 867 HG SER 112 HG SER 112 -30.506 4.569 -2.192 868 H GLU 113 HN GLU 113 -30.137 2.135 1.691 869 HA GLU 113 HA GLU 113 -32.471 0.970 2.713 870 HB2 GLU 113 HB2 GLU 113 -29.574 0.434 3.403 871 HB3 GLU 113 HB1 GLU 113 -30.907 -0.580 3.924 872 HG2 GLU 113 HG2 GLU 113 -31.444 -1.096 1.608 873 HG3 GLU 113 HG1 GLU 113 -30.138 -0.039 1.062 874 H LEU 114 HN LEU 114 -29.824 2.603 4.411 875 HA LEU 114 HA LEU 114 -30.838 2.331 7.009 876 HB2 LEU 114 HB2 LEU 114 -28.940 4.342 5.853 877 HB3 LEU 114 HB1 LEU 114 -29.258 4.151 7.561 878 HG LEU 114 HG LEU 114 -28.049 2.058 5.761 879 HD11 LEU 114 HD11 LEU 114 -26.025 2.447 7.074 880 HD12 LEU 114 HD12 LEU 114 -26.845 3.785 7.888 881 HD13 LEU 114 HD13 LEU 114 -26.528 3.867 6.157 882 HD21 LEU 114 HD21 LEU 114 -28.558 2.034 8.734 883 HD22 LEU 114 HD22 LEU 114 -27.626 0.830 7.847 884 HD23 LEU 114 HD23 LEU 114 -29.349 1.020 7.525 885 H SER 115 HN SER 115 -31.166 4.987 4.659 886 HA SER 115 HA SER 115 -32.565 6.663 6.487 887 HB2 SER 115 HB2 SER 115 -33.011 8.054 4.448 888 HB3 SER 115 HB1 SER 115 -31.308 7.714 4.742 889 HG SER 115 HG SER 115 -31.287 6.289 3.089 890 H ARG 116 HN ARG 116 -33.608 4.501 3.876 891 HA ARG 116 HA ARG 116 -36.324 5.321 4.034 892 HB2 ARG 116 HB2 ARG 116 -35.055 2.896 2.774 893 HB3 ARG 116 HB1 ARG 116 -36.772 3.262 2.667 894 HG2 ARG 116 HG2 ARG 116 -36.263 5.365 1.548 895 HG3 ARG 116 HG1 ARG 116 -34.541 5.019 1.671 896 HD2 ARG 116 HD2 ARG 116 -34.906 2.962 0.335 897 HD3 ARG 116 HD1 ARG 116 -36.596 3.429 0.145 898 HE ARG 116 HE ARG 116 -34.745 5.461 -0.693 899 HH11 ARG 116 HH11 ARG 116 -36.550 2.618 -1.726 900 HH12 ARG 116 HH12 ARG 116 -36.361 2.949 -3.412 901 HH21 ARG 116 HH21 ARG 116 -34.517 5.917 -2.938 902 HH22 ARG 116 HH22 ARG 116 -35.212 4.840 -4.105 903 H GLU 117 HN GLU 117 -34.556 2.527 5.347 904 HA GLU 117 HA GLU 117 -35.132 0.937 6.857 905 HB2 GLU 117 HB2 GLU 117 -34.902 2.794 8.370 906 HB3 GLU 117 HB1 GLU 117 -36.524 3.350 8.017 907 HG2 GLU 117 HG2 GLU 117 -36.319 2.269 10.209 908 HG3 GLU 117 HG1 GLU 117 -37.483 1.473 9.154 909 H GLY 118 HN GLY 118 -36.326 -0.322 5.355 910 HA2 GLY 118 HA2 GLY 118 -39.213 -0.353 5.967 911 HA3 GLY 118 HA1 GLY 118 -38.645 -0.495 4.313 912 H HIS 119 HN HIS 119 -36.644 -1.945 6.630 913 HA HIS 119 HA HIS 119 -35.909 -4.014 6.943 914 HB2 HIS 119 HB2 HIS 119 -37.513 -5.745 7.748 915 HB3 HIS 119 HB1 HIS 119 -37.723 -4.188 8.525 916 HD2 HIS 119 HD2 HIS 119 -39.678 -6.601 6.123 917 HE1 HIS 119 HE1 HIS 119 -42.325 -3.566 7.461 918 HE2 HIS 119 HE2 HIS 119 -42.066 -5.619 6.030 919 H HIS 120 HN HIS 120 -38.647 -4.621 4.731 920 HA HIS 120 HA HIS 120 -36.758 -5.921 2.910 921 HB2 HIS 120 HB2 HIS 120 -39.359 -7.223 3.784 922 HB3 HIS 120 HB1 HIS 120 -38.238 -7.850 2.585 923 HD2 HIS 120 HD2 HIS 120 -35.606 -8.490 3.849 924 HE1 HIS 120 HE1 HIS 120 -37.515 -9.433 7.509 925 HE2 HIS 120 HE2 HIS 120 -35.343 -9.397 6.251 926 H HIS 121 HN HIS 121 -37.045 -4.792 1.084 927 HA HIS 121 HA HIS 121 -39.676 -3.595 0.629 928 HB2 HIS 121 HB2 HIS 121 -37.651 -2.150 0.490 929 HB3 HIS 121 HB1 HIS 121 -37.083 -3.116 -0.864 930 HD2 HIS 121 HD2 HIS 121 -40.503 -1.179 -0.251 931 HE1 HIS 121 HE1 HIS 121 -39.083 -0.387 -4.158 932 HE2 HIS 121 HE2 HIS 121 -40.864 0.110 -2.460 933 H HIS 122 HN HIS 122 -37.355 -4.699 -1.793 934 HA HIS 122 HA HIS 122 -39.218 -6.741 -2.715 935 HB2 HIS 122 HB2 HIS 122 -38.233 -4.426 -4.375 936 HB3 HIS 122 HB1 HIS 122 -38.735 -5.938 -5.121 937 HD2 HIS 122 HD2 HIS 122 -41.559 -6.484 -4.853 938 HE1 HIS 122 HE1 HIS 122 -42.522 -2.487 -3.829 939 HE2 HIS 122 HE2 HIS 122 -43.411 -4.691 -4.647 940 H HIS 123 HN HIS 123 -38.147 -8.542 -3.066 941 HA HIS 123 HA HIS 123 -36.491 -10.040 -3.419 942 HB2 HIS 123 HB2 HIS 123 -35.970 -8.809 -5.496 943 HB3 HIS 123 HB1 HIS 123 -34.933 -7.714 -4.591 944 HD2 HIS 123 HD2 HIS 123 -32.379 -8.666 -4.060 945 HE1 HIS 123 HE1 HIS 123 -32.847 -12.400 -6.002 946 HE2 HIS 123 HE2 HIS 123 -31.254 -10.874 -4.809 947 H HIS 124 HN HIS 124 -35.237 -6.966 -2.137 948 HA HIS 124 HA HIS 124 -34.070 -8.526 0.031 949 HB2 HIS 124 HB2 HIS 124 -32.188 -6.910 0.207 950 HB3 HIS 124 HB1 HIS 124 -32.186 -7.784 -1.309 951 HD2 HIS 124 HD2 HIS 124 -32.185 -4.162 -0.030 952 HE1 HIS 124 HE1 HIS 124 -32.727 -4.035 -4.234 953 HE2 HIS 124 HE2 HIS 124 -31.909 -2.797 -2.219 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -14.451 -6.121 -3.906 2 H2 MET 1 HT2 MET 1 -15.377 -4.987 -4.751 3 H3 MET 1 HT3 MET 1 -15.979 -5.681 -3.335 4 HA MET 1 HA MET 1 -15.243 -3.442 -2.937 5 HB2 MET 1 HB2 MET 1 -13.814 -3.872 -1.021 6 HB3 MET 1 HB1 MET 1 -15.040 -5.123 -1.136 7 HG2 MET 1 HG2 MET 1 -13.395 -6.639 -2.125 8 HG3 MET 1 HG1 MET 1 -12.164 -5.386 -2.002 9 HE1 MET 1 HE1 MET 1 -11.742 -8.312 -0.806 10 HE2 MET 1 HE2 MET 1 -11.019 -7.909 0.753 11 HE3 MET 1 HE3 MET 1 -10.551 -7.012 -0.692 12 H SER 2 HN SER 2 -13.282 -5.184 -5.040 13 HA SER 2 HA SER 2 -10.936 -3.532 -4.758 14 HB2 SER 2 HB2 SER 2 -11.575 -5.576 -6.893 15 HB3 SER 2 HB1 SER 2 -9.987 -4.943 -6.460 16 HG SER 2 HG SER 2 -10.048 -6.041 -4.552 17 H LEU 3 HN LEU 3 -13.892 -3.377 -6.471 18 HA LEU 3 HA LEU 3 -13.065 -2.059 -8.827 19 HB2 LEU 3 HB2 LEU 3 -15.333 -3.120 -8.272 20 HB3 LEU 3 HB1 LEU 3 -15.705 -1.630 -7.442 21 HG LEU 3 HG LEU 3 -14.951 -1.667 -10.362 22 HD11 LEU 3 HD11 LEU 3 -17.309 -1.716 -10.902 23 HD12 LEU 3 HD12 LEU 3 -17.717 -1.853 -9.193 24 HD13 LEU 3 HD13 LEU 3 -16.863 -3.165 -10.001 25 HD21 LEU 3 HD21 LEU 3 -16.554 0.281 -8.701 26 HD22 LEU 3 HD22 LEU 3 -16.156 0.445 -10.415 27 HD23 LEU 3 HD23 LEU 3 -14.875 0.498 -9.203 28 H GLY 4 HN GLY 4 -14.123 -0.807 -5.673 29 HA2 GLY 4 HA2 GLY 4 -13.078 1.132 -4.719 30 HA3 GLY 4 HA1 GLY 4 -12.815 1.740 -6.346 31 H SER 5 HN SER 5 -13.888 3.435 -4.562 32 HA SER 5 HA SER 5 -16.780 3.380 -4.872 33 HB2 SER 5 HB2 SER 5 -16.678 5.429 -3.398 34 HB3 SER 5 HB1 SER 5 -16.020 3.970 -2.664 35 HG SER 5 HG SER 5 -13.980 4.731 -2.932 36 H GLU 6 HN GLU 6 -17.710 4.313 -6.568 37 HA GLU 6 HA GLU 6 -16.203 5.893 -8.394 38 HB2 GLU 6 HB2 GLU 6 -18.252 6.010 -9.722 39 HB3 GLU 6 HB1 GLU 6 -17.910 4.364 -9.206 40 HG2 GLU 6 HG2 GLU 6 -19.587 4.515 -7.476 41 HG3 GLU 6 HG1 GLU 6 -19.881 6.208 -7.873 42 H SER 7 HN SER 7 -17.769 6.713 -5.634 43 HA SER 7 HA SER 7 -18.451 9.392 -6.570 44 HB2 SER 7 HB2 SER 7 -20.181 8.185 -5.256 45 HB3 SER 7 HB1 SER 7 -19.070 8.120 -3.889 46 HG SER 7 HG SER 7 -19.025 10.534 -4.201 47 H GLU 8 HN GLU 8 -15.870 7.849 -5.517 48 HA GLU 8 HA GLU 8 -13.836 8.461 -4.690 49 HB2 GLU 8 HB2 GLU 8 -14.964 11.242 -5.019 50 HB3 GLU 8 HB1 GLU 8 -13.277 10.841 -4.746 51 HG2 GLU 8 HG2 GLU 8 -13.106 9.757 -6.847 52 HG3 GLU 8 HG1 GLU 8 -14.847 9.874 -7.108 53 H THR 9 HN THR 9 -16.200 8.100 -2.907 54 HA THR 9 HA THR 9 -15.598 9.831 -0.656 55 HB THR 9 HB THR 9 -17.614 7.660 -0.445 56 HG1 THR 9 HG1 THR 9 -18.711 9.843 -1.618 57 HG21 THR 9 HG21 THR 9 -17.212 9.321 1.347 58 HG22 THR 9 HG22 THR 9 -18.856 9.401 0.716 59 HG23 THR 9 HG23 THR 9 -17.665 10.607 0.228 60 H GLY 10 HN GLY 10 -13.663 7.837 -1.541 61 HA2 GLY 10 HA2 GLY 10 -13.762 5.533 0.137 62 HA3 GLY 10 HA1 GLY 10 -12.368 6.097 -0.770 63 H ASN 11 HN ASN 11 -13.212 8.708 0.943 64 HA ASN 11 HA ASN 11 -11.295 8.072 3.062 65 HB2 ASN 11 HB2 ASN 11 -12.415 10.724 2.119 66 HB3 ASN 11 HB1 ASN 11 -11.281 10.540 3.452 67 HD21 ASN 11 HD21 ASN 11 -11.011 11.971 0.922 68 HD22 ASN 11 HD22 ASN 11 -9.607 11.318 0.162 69 H ALA 12 HN ALA 12 -14.448 7.693 2.706 70 HA ALA 12 HA ALA 12 -15.020 8.354 5.504 71 HB1 ALA 12 HB1 ALA 12 -17.218 9.174 4.942 72 HB2 ALA 12 HB2 ALA 12 -16.924 8.872 3.230 73 HB3 ALA 12 HB3 ALA 12 -15.994 10.107 4.078 74 H VAL 13 HN VAL 13 -16.305 6.941 6.565 75 HA VAL 13 HA VAL 13 -17.359 4.642 5.060 76 HB VAL 13 HB VAL 13 -16.710 3.133 6.892 77 HG11 VAL 13 HG11 VAL 13 -15.223 3.290 4.994 78 HG12 VAL 13 HG12 VAL 13 -14.283 3.076 6.471 79 HG13 VAL 13 HG13 VAL 13 -14.396 4.667 5.719 80 HG21 VAL 13 HG21 VAL 13 -15.293 5.544 8.018 81 HG22 VAL 13 HG22 VAL 13 -15.087 3.891 8.597 82 HG23 VAL 13 HG23 VAL 13 -16.656 4.684 8.739 83 H VAL 14 HN VAL 14 -19.033 3.493 6.197 84 HA VAL 14 HA VAL 14 -20.587 5.224 7.990 85 HB VAL 14 HB VAL 14 -21.530 2.915 6.259 86 HG11 VAL 14 HG11 VAL 14 -23.786 3.633 6.854 87 HG12 VAL 14 HG12 VAL 14 -23.121 4.877 7.910 88 HG13 VAL 14 HG13 VAL 14 -22.868 3.175 8.288 89 HG21 VAL 14 HG21 VAL 14 -21.927 5.885 5.890 90 HG22 VAL 14 HG22 VAL 14 -22.635 4.616 4.885 91 HG23 VAL 14 HG23 VAL 14 -20.887 4.850 4.913 92 H VAL 15 HN VAL 15 -20.396 4.635 10.036 93 HA VAL 15 HA VAL 15 -19.932 1.788 10.656 94 HB VAL 15 HB VAL 15 -19.432 4.159 12.477 95 HG11 VAL 15 HG11 VAL 15 -19.764 1.894 13.487 96 HG12 VAL 15 HG12 VAL 15 -18.215 2.657 13.839 97 HG13 VAL 15 HG13 VAL 15 -18.309 1.375 12.634 98 HG21 VAL 15 HG21 VAL 15 -17.484 2.722 10.674 99 HG22 VAL 15 HG22 VAL 15 -17.025 3.849 11.948 100 HG23 VAL 15 HG23 VAL 15 -17.972 4.414 10.572 101 H PHE 16 HN PHE 16 -21.513 0.718 11.713 102 HA PHE 16 HA PHE 16 -23.531 2.252 13.165 103 HB2 PHE 16 HB2 PHE 16 -25.380 1.107 12.019 104 HB3 PHE 16 HB1 PHE 16 -24.424 2.066 10.897 105 HD1 PHE 16 HD2 PHE 16 -23.035 0.990 9.206 106 HD2 PHE 16 HD1 PHE 16 -25.425 -1.302 11.885 107 HE1 PHE 16 HE2 PHE 16 -22.762 -0.979 7.761 108 HE2 PHE 16 HE1 PHE 16 -25.153 -3.277 10.442 109 HZ PHE 16 HZ PHE 16 -23.824 -3.119 8.380 110 H GLY 17 HN GLY 17 -25.171 0.667 14.177 111 HA2 GLY 17 HA2 GLY 17 -25.475 -1.629 14.960 112 HA3 GLY 17 HA1 GLY 17 -23.725 -1.738 15.093 113 H TYR 18 HN TYR 18 -24.442 1.272 16.102 114 HA TYR 18 HA TYR 18 -24.834 0.408 18.870 115 HB2 TYR 18 HB2 TYR 18 -23.259 2.234 19.565 116 HB3 TYR 18 HB1 TYR 18 -22.503 0.902 18.705 117 HD1 TYR 18 HD1 TYR 18 -23.571 4.425 18.444 118 HD2 TYR 18 HD2 TYR 18 -21.432 1.245 16.599 119 HE1 TYR 18 HE1 TYR 18 -22.579 6.019 16.857 120 HE2 TYR 18 HE2 TYR 18 -20.437 2.828 15.015 121 HH TYR 18 HH TYR 18 -20.957 5.030 14.063 122 H ARG 19 HN ARG 19 -25.215 2.486 20.280 123 HA ARG 19 HA ARG 19 -27.183 4.194 18.899 124 HB2 ARG 19 HB2 ARG 19 -28.614 4.066 20.860 125 HB3 ARG 19 HB1 ARG 19 -28.330 2.456 20.212 126 HG2 ARG 19 HG2 ARG 19 -26.692 2.050 21.988 127 HG3 ARG 19 HG1 ARG 19 -26.956 3.681 22.592 128 HD2 ARG 19 HD2 ARG 19 -29.130 1.618 22.350 129 HD3 ARG 19 HD1 ARG 19 -28.198 1.903 23.822 130 HE ARG 19 HE ARG 19 -29.123 4.358 23.249 131 HH11 ARG 19 HH11 ARG 19 -30.769 1.263 23.355 132 HH12 ARG 19 HH12 ARG 19 -32.249 1.929 23.947 133 HH21 ARG 19 HH21 ARG 19 -31.090 5.241 24.059 134 HH22 ARG 19 HH22 ARG 19 -32.430 4.183 24.357 135 H GLU 20 HN GLU 20 -27.691 6.198 20.193 136 HA GLU 20 HA GLU 20 -25.251 7.394 21.116 137 HB2 GLU 20 HB2 GLU 20 -26.963 8.695 19.849 138 HB3 GLU 20 HB1 GLU 20 -28.050 8.544 21.225 139 HG2 GLU 20 HG2 GLU 20 -26.370 9.716 22.620 140 HG3 GLU 20 HG1 GLU 20 -25.387 9.956 21.181 141 H ALA 21 HN ALA 21 -24.713 6.155 22.865 142 HA ALA 21 HA ALA 21 -25.694 7.040 25.380 143 HB1 ALA 21 HB1 ALA 21 -26.507 4.901 26.238 144 HB2 ALA 21 HB2 ALA 21 -26.259 4.160 24.660 145 HB3 ALA 21 HB3 ALA 21 -27.476 5.421 24.861 146 H ILE 22 HN ILE 22 -23.971 4.637 23.537 147 HA ILE 22 HA ILE 22 -22.057 4.146 25.647 148 HB ILE 22 HB ILE 22 -21.064 2.535 24.016 149 HG12 ILE 22 HG12 ILE 22 -22.999 2.131 22.113 150 HG13 ILE 22 HG11 ILE 22 -22.973 3.887 22.216 151 HG21 ILE 22 HG21 ILE 22 -22.773 1.838 25.624 152 HG22 ILE 22 HG22 ILE 22 -22.897 0.937 24.112 153 HG23 ILE 22 HG23 ILE 22 -24.032 2.242 24.453 154 HD11 ILE 22 HD11 ILE 22 -20.579 3.872 21.747 155 HD12 ILE 22 HD12 ILE 22 -21.504 3.086 20.471 156 HD13 ILE 22 HD13 ILE 22 -20.614 2.112 21.639 157 H THR 23 HN THR 23 -22.304 6.786 24.194 158 HA THR 23 HA THR 23 -20.169 7.158 22.431 159 HB THR 23 HB THR 23 -21.308 9.253 24.275 160 HG1 THR 23 HG1 THR 23 -22.704 9.615 22.365 161 HG21 THR 23 HG21 THR 23 -20.687 10.773 22.423 162 HG22 THR 23 HG22 THR 23 -19.962 9.412 21.568 163 HG23 THR 23 HG23 THR 23 -19.283 9.951 23.099 164 H LYS 24 HN LYS 24 -20.317 7.745 25.974 165 HA LYS 24 HA LYS 24 -17.801 8.825 26.312 166 HB2 LYS 24 HB2 LYS 24 -19.139 6.884 28.193 167 HB3 LYS 24 HB1 LYS 24 -18.026 8.174 28.603 168 HG2 LYS 24 HG2 LYS 24 -20.835 8.538 27.559 169 HG3 LYS 24 HG1 LYS 24 -20.320 8.711 29.233 170 HD2 LYS 24 HD2 LYS 24 -18.721 10.495 28.339 171 HD3 LYS 24 HD1 LYS 24 -19.679 10.459 26.873 172 HE2 LYS 24 HE2 LYS 24 -21.693 11.023 28.054 173 HE3 LYS 24 HE1 LYS 24 -20.885 10.885 29.608 174 HZ1 LYS 24 HZ1 LYS 24 -21.251 13.187 28.811 175 HZ2 LYS 24 HZ2 LYS 24 -20.155 12.910 27.563 176 HZ3 LYS 24 HZ3 LYS 24 -19.642 12.846 29.179 177 H GLN 25 HN GLN 25 -18.884 5.519 26.045 178 HA GLN 25 HA GLN 25 -16.461 4.238 26.775 179 HB2 GLN 25 HB2 GLN 25 -18.862 3.234 25.256 180 HB3 GLN 25 HB1 GLN 25 -17.564 2.227 25.875 181 HG2 GLN 25 HG2 GLN 25 -18.118 2.816 28.121 182 HG3 GLN 25 HG1 GLN 25 -19.363 3.934 27.568 183 HE21 GLN 25 HE21 GLN 25 -21.070 2.942 28.511 184 HE22 GLN 25 HE22 GLN 25 -21.640 1.377 28.057 185 H ILE 26 HN ILE 26 -18.130 4.258 23.605 186 HA ILE 26 HA ILE 26 -15.933 3.103 22.287 187 HB ILE 26 HB ILE 26 -18.439 3.046 21.642 188 HG12 ILE 26 HG12 ILE 26 -16.454 3.470 19.424 189 HG13 ILE 26 HG11 ILE 26 -16.510 2.032 20.447 190 HG21 ILE 26 HG21 ILE 26 -18.805 5.445 21.433 191 HG22 ILE 26 HG22 ILE 26 -19.087 4.643 19.886 192 HG23 ILE 26 HG23 ILE 26 -17.591 5.534 20.158 193 HD11 ILE 26 HD11 ILE 26 -18.775 1.585 19.688 194 HD12 ILE 26 HD12 ILE 26 -17.647 1.660 18.330 195 HD13 ILE 26 HD13 ILE 26 -18.724 3.020 18.665 196 H LEU 27 HN LEU 27 -16.887 6.452 22.714 197 HA LEU 27 HA LEU 27 -15.294 7.542 20.667 198 HB2 LEU 27 HB2 LEU 27 -17.120 8.783 21.700 199 HB3 LEU 27 HB1 LEU 27 -16.296 8.776 23.238 200 HG LEU 27 HG LEU 27 -16.335 10.933 21.800 201 HD11 LEU 27 HD11 LEU 27 -13.746 9.945 22.960 202 HD12 LEU 27 HD12 LEU 27 -15.078 10.668 23.860 203 HD13 LEU 27 HD13 LEU 27 -14.195 11.628 22.675 204 HD21 LEU 27 HD21 LEU 27 -14.474 11.186 20.262 205 HD22 LEU 27 HD22 LEU 27 -15.558 9.906 19.712 206 HD23 LEU 27 HD23 LEU 27 -14.029 9.498 20.495 207 H ALA 28 HN ALA 28 -14.602 6.753 24.035 208 HA ALA 28 HA ALA 28 -12.104 7.996 24.214 209 HB1 ALA 28 HB1 ALA 28 -13.321 7.148 26.154 210 HB2 ALA 28 HB2 ALA 28 -11.682 6.503 26.095 211 HB3 ALA 28 HB3 ALA 28 -13.045 5.493 25.612 212 H TYR 29 HN TYR 29 -13.022 4.889 22.856 213 HA TYR 29 HA TYR 29 -10.279 4.016 22.558 214 HB2 TYR 29 HB2 TYR 29 -11.961 2.335 23.034 215 HB3 TYR 29 HB1 TYR 29 -12.887 2.807 21.615 216 HD1 TYR 29 HD1 TYR 29 -9.785 1.158 22.761 217 HD2 TYR 29 HD2 TYR 29 -12.327 1.967 19.454 218 HE1 TYR 29 HE1 TYR 29 -8.572 -0.519 21.425 219 HE2 TYR 29 HE2 TYR 29 -11.129 0.313 18.112 220 HH TYR 29 HH TYR 29 -8.940 -0.766 18.053 221 H PHE 30 HN PHE 30 -12.888 5.072 20.384 222 HA PHE 30 HA PHE 30 -11.149 4.860 18.091 223 HB2 PHE 30 HB2 PHE 30 -14.051 5.534 18.397 224 HB3 PHE 30 HB1 PHE 30 -13.203 5.852 16.888 225 HD1 PHE 30 HD2 PHE 30 -12.415 4.062 15.488 226 HD2 PHE 30 HD1 PHE 30 -14.476 3.250 19.122 227 HE1 PHE 30 HE2 PHE 30 -12.744 1.737 14.775 228 HE2 PHE 30 HE1 PHE 30 -14.808 0.917 18.411 229 HZ PHE 30 HZ PHE 30 -13.940 0.160 16.233 230 H ALA 31 HN ALA 31 -11.513 7.182 20.388 231 HA ALA 31 HA ALA 31 -11.579 9.605 19.028 232 HB1 ALA 31 HB1 ALA 31 -10.434 10.573 20.952 233 HB2 ALA 31 HB2 ALA 31 -10.016 8.953 21.517 234 HB3 ALA 31 HB3 ALA 31 -11.707 9.458 21.450 235 H GLN 32 HN GLN 32 -9.171 7.214 18.955 236 HA GLN 32 HA GLN 32 -6.861 8.702 18.387 237 HB2 GLN 32 HB2 GLN 32 -7.740 5.995 17.361 238 HB3 GLN 32 HB1 GLN 32 -6.127 6.651 17.148 239 HG2 GLN 32 HG2 GLN 32 -7.436 6.078 19.796 240 HG3 GLN 32 HG1 GLN 32 -6.267 5.036 18.985 241 HE21 GLN 32 HE21 GLN 32 -6.140 6.359 21.575 242 HE22 GLN 32 HE22 GLN 32 -4.708 7.330 21.547 243 H PHE 33 HN PHE 33 -9.702 7.974 16.541 244 HA PHE 33 HA PHE 33 -8.523 8.983 14.070 245 HB2 PHE 33 HB2 PHE 33 -11.238 7.771 14.627 246 HB3 PHE 33 HB1 PHE 33 -10.669 8.287 13.044 247 HD1 PHE 33 HD2 PHE 33 -8.792 7.065 11.961 248 HD2 PHE 33 HD1 PHE 33 -10.609 5.694 15.557 249 HE1 PHE 33 HE2 PHE 33 -7.815 4.837 11.603 250 HE2 PHE 33 HE1 PHE 33 -9.648 3.462 15.204 251 HZ PHE 33 HZ PHE 33 -8.242 3.032 13.219 252 H GLY 34 HN GLY 34 -11.663 9.471 15.750 253 HA2 GLY 34 HA2 GLY 34 -11.430 12.273 15.994 254 HA3 GLY 34 HA1 GLY 34 -12.279 11.903 14.501 255 H GLU 35 HN GLU 35 -14.090 13.074 15.538 256 HA GLU 35 HA GLU 35 -15.399 12.079 17.858 257 HB2 GLU 35 HB2 GLU 35 -16.645 13.629 15.571 258 HB3 GLU 35 HB1 GLU 35 -17.320 13.429 17.177 259 HG2 GLU 35 HG2 GLU 35 -16.461 15.558 17.257 260 HG3 GLU 35 HG1 GLU 35 -15.153 14.606 17.961 261 H ILE 36 HN ILE 36 -17.025 10.607 18.093 262 HA ILE 36 HA ILE 36 -17.667 9.030 15.703 263 HB ILE 36 HB ILE 36 -18.051 8.235 18.598 264 HG12 ILE 36 HG12 ILE 36 -15.677 8.475 18.084 265 HG13 ILE 36 HG11 ILE 36 -16.094 6.774 18.251 266 HG21 ILE 36 HG21 ILE 36 -18.371 5.975 17.680 267 HG22 ILE 36 HG22 ILE 36 -18.207 6.617 16.047 268 HG23 ILE 36 HG23 ILE 36 -19.574 7.100 17.050 269 HD11 ILE 36 HD11 ILE 36 -16.098 6.514 15.845 270 HD12 ILE 36 HD12 ILE 36 -14.562 7.191 16.392 271 HD13 ILE 36 HD13 ILE 36 -15.768 8.233 15.640 272 H LEU 37 HN LEU 37 -19.248 10.238 18.656 273 HA LEU 37 HA LEU 37 -21.733 10.448 17.094 274 HB2 LEU 37 HB2 LEU 37 -21.479 9.967 20.072 275 HB3 LEU 37 HB1 LEU 37 -22.983 10.202 19.216 276 HG LEU 37 HG LEU 37 -22.144 8.088 17.856 277 HD11 LEU 37 HD11 LEU 37 -20.985 6.500 19.291 278 HD12 LEU 37 HD12 LEU 37 -20.827 7.738 20.537 279 HD13 LEU 37 HD13 LEU 37 -19.999 7.932 18.992 280 HD21 LEU 37 HD21 LEU 37 -23.410 6.677 19.427 281 HD22 LEU 37 HD22 LEU 37 -24.226 8.201 19.061 282 HD23 LEU 37 HD23 LEU 37 -23.377 7.999 20.597 283 H GLU 38 HN GLU 38 -23.287 12.051 18.401 284 HA GLU 38 HA GLU 38 -22.128 14.613 18.143 285 HB2 GLU 38 HB2 GLU 38 -24.752 13.708 19.298 286 HB3 GLU 38 HB1 GLU 38 -24.297 15.404 19.181 287 HG2 GLU 38 HG2 GLU 38 -24.124 15.209 16.772 288 HG3 GLU 38 HG1 GLU 38 -24.500 13.490 16.873 289 H ASP 39 HN ASP 39 -22.823 12.621 20.955 290 HA ASP 39 HA ASP 39 -22.061 14.614 22.838 291 HB2 ASP 39 HB2 ASP 39 -22.675 11.703 22.990 292 HB3 ASP 39 HB1 ASP 39 -21.718 12.402 24.290 293 H LEU 40 HN LEU 40 -20.171 14.915 23.889 294 HA LEU 40 HA LEU 40 -17.927 13.247 23.714 295 HB2 LEU 40 HB2 LEU 40 -18.169 14.390 21.335 296 HB3 LEU 40 HB1 LEU 40 -17.458 15.759 22.163 297 HG LEU 40 HG LEU 40 -16.221 13.041 21.754 298 HD11 LEU 40 HD11 LEU 40 -15.442 15.767 20.783 299 HD12 LEU 40 HD12 LEU 40 -16.174 14.482 19.817 300 HD13 LEU 40 HD13 LEU 40 -14.557 14.269 20.491 301 HD21 LEU 40 HD21 LEU 40 -14.254 13.889 22.903 302 HD22 LEU 40 HD22 LEU 40 -15.650 13.884 23.985 303 HD23 LEU 40 HD23 LEU 40 -15.097 15.397 23.266 304 H GLU 41 HN GLU 41 -17.572 13.646 25.797 305 HA GLU 41 HA GLU 41 -17.391 16.422 26.678 306 HB2 GLU 41 HB2 GLU 41 -18.884 14.902 27.922 307 HB3 GLU 41 HB1 GLU 41 -17.514 13.873 28.296 308 HG2 GLU 41 HG2 GLU 41 -16.516 15.622 29.616 309 HG3 GLU 41 HG1 GLU 41 -17.816 16.732 29.173 310 H SER 42 HN SER 42 -15.622 13.372 26.681 311 HA SER 42 HA SER 42 -13.133 14.843 26.694 312 HB2 SER 42 HB2 SER 42 -13.583 14.309 29.084 313 HB3 SER 42 HB1 SER 42 -13.715 12.603 28.659 314 HG SER 42 HG SER 42 -11.421 14.263 28.418 315 H GLU 43 HN GLU 43 -11.949 14.055 25.104 316 HA GLU 43 HA GLU 43 -12.654 11.473 23.964 317 HB2 GLU 43 HB2 GLU 43 -10.570 12.549 22.400 318 HB3 GLU 43 HB1 GLU 43 -12.284 12.559 22.036 319 HG2 GLU 43 HG2 GLU 43 -11.357 14.770 21.805 320 HG3 GLU 43 HG1 GLU 43 -12.515 14.722 23.131 321 H LEU 44 HN LEU 44 -9.456 12.964 24.179 322 HA LEU 44 HA LEU 44 -8.561 10.535 25.523 323 HB2 LEU 44 HB2 LEU 44 -7.166 12.163 23.411 324 HB3 LEU 44 HB1 LEU 44 -6.403 10.890 24.334 325 HG LEU 44 HG LEU 44 -8.755 10.502 22.490 326 HD11 LEU 44 HD11 LEU 44 -5.841 9.866 22.087 327 HD12 LEU 44 HD12 LEU 44 -6.764 11.113 21.248 328 HD13 LEU 44 HD13 LEU 44 -7.154 9.410 21.001 329 HD21 LEU 44 HD21 LEU 44 -7.021 8.524 23.973 330 HD22 LEU 44 HD22 LEU 44 -8.227 8.103 22.758 331 HD23 LEU 44 HD23 LEU 44 -8.729 8.857 24.269 332 H GLY 45 HN GLY 45 -7.859 13.965 24.876 333 HA2 GLY 45 HA2 GLY 45 -7.454 15.587 26.528 334 HA3 GLY 45 HA1 GLY 45 -7.115 14.304 27.678 335 H ASP 46 HN ASP 46 -5.733 16.817 26.303 336 HA ASP 46 HA ASP 46 -3.590 17.557 26.025 337 HB2 ASP 46 HB2 ASP 46 -2.931 14.990 27.479 338 HB3 ASP 46 HB1 ASP 46 -1.739 16.220 27.079 339 H THR 47 HN THR 47 -4.843 15.856 23.963 340 HA THR 47 HA THR 47 -2.543 15.526 22.311 341 HB THR 47 HB THR 47 -2.424 13.453 23.687 342 HG1 THR 47 HG1 THR 47 -2.025 13.651 21.213 343 HG21 THR 47 HG21 THR 47 -4.768 13.070 24.121 344 HG22 THR 47 HG22 THR 47 -4.102 11.666 23.283 345 HG23 THR 47 HG23 THR 47 -5.083 12.842 22.403 346 H GLU 48 HN GLU 48 -5.030 16.960 22.249 347 HA GLU 48 HA GLU 48 -7.036 15.809 20.682 348 HB2 GLU 48 HB2 GLU 48 -7.307 17.905 21.924 349 HB3 GLU 48 HB1 GLU 48 -6.180 18.698 20.837 350 HG2 GLU 48 HG2 GLU 48 -7.740 18.310 18.976 351 HG3 GLU 48 HG1 GLU 48 -8.876 17.577 20.108 352 H THR 49 HN THR 49 -4.027 17.383 19.726 353 HA THR 49 HA THR 49 -4.815 17.574 16.990 354 HB THR 49 HB THR 49 -3.376 19.298 17.805 355 HG1 THR 49 HG1 THR 49 -2.368 17.543 15.856 356 HG21 THR 49 HG21 THR 49 -1.365 17.121 18.331 357 HG22 THR 49 HG22 THR 49 -2.245 18.033 19.557 358 HG23 THR 49 HG23 THR 49 -1.074 18.851 18.519 359 H MET 50 HN MET 50 -3.404 15.049 18.835 360 HA MET 50 HA MET 50 -1.905 13.792 16.786 361 HB2 MET 50 HB2 MET 50 -1.693 13.124 19.148 362 HB3 MET 50 HB1 MET 50 -3.340 12.511 19.121 363 HG2 MET 50 HG2 MET 50 -2.718 10.811 17.523 364 HG3 MET 50 HG1 MET 50 -1.086 11.465 17.421 365 HE1 MET 50 HE1 MET 50 -3.379 10.930 20.622 366 HE2 MET 50 HE2 MET 50 -2.844 9.321 21.111 367 HE3 MET 50 HE3 MET 50 -3.697 9.538 19.585 368 H ARG 51 HN ARG 51 -5.244 13.635 17.747 369 HA ARG 51 HA ARG 51 -5.904 11.779 15.622 370 HB2 ARG 51 HB2 ARG 51 -8.301 12.380 16.532 371 HB3 ARG 51 HB1 ARG 51 -7.250 11.288 17.418 372 HG2 ARG 51 HG2 ARG 51 -7.106 12.678 19.181 373 HG3 ARG 51 HG1 ARG 51 -6.931 14.103 18.153 374 HD2 ARG 51 HD2 ARG 51 -9.536 12.669 18.619 375 HD3 ARG 51 HD1 ARG 51 -9.007 14.087 19.532 376 HE ARG 51 HE ARG 51 -8.772 14.930 17.016 377 HH11 ARG 51 HH11 ARG 51 -11.456 13.377 18.656 378 HH12 ARG 51 HH12 ARG 51 -12.643 14.125 17.629 379 HH21 ARG 51 HH21 ARG 51 -10.345 15.886 15.691 380 HH22 ARG 51 HH22 ARG 51 -12.029 15.522 15.968 381 H THR 52 HN THR 52 -7.445 12.283 13.981 382 HA THR 52 HA THR 52 -8.117 13.399 12.182 383 HB THR 52 HB THR 52 -9.073 15.764 12.585 384 HG1 THR 52 HG1 THR 52 -7.818 15.621 14.803 385 HG21 THR 52 HG21 THR 52 -11.089 14.837 13.638 386 HG22 THR 52 HG22 THR 52 -10.177 13.399 14.094 387 HG23 THR 52 HG23 THR 52 -10.449 13.766 12.389 388 HA PRO 53 HA PRO 53 -4.949 15.843 10.272 389 HB2 PRO 53 HB2 PRO 53 -6.384 17.271 8.440 390 HB3 PRO 53 HB1 PRO 53 -6.045 15.546 8.259 391 HG2 PRO 53 HG2 PRO 53 -8.513 16.896 9.284 392 HG3 PRO 53 HG1 PRO 53 -8.370 15.543 8.147 393 HD2 PRO 53 HD2 PRO 53 -8.978 15.171 10.731 394 HD3 PRO 53 HD1 PRO 53 -7.986 14.012 9.826 395 H GLY 54 HN GLY 54 -5.270 18.457 9.169 396 HA2 GLY 54 HA2 GLY 54 -4.941 20.029 11.544 397 HA3 GLY 54 HA1 GLY 54 -4.828 20.600 9.888 398 H TYR 55 HN TYR 55 -7.644 18.984 11.214 399 HA TYR 55 HA TYR 55 -9.105 21.524 11.147 400 HB2 TYR 55 HB2 TYR 55 -10.069 18.811 10.212 401 HB3 TYR 55 HB1 TYR 55 -11.094 20.230 10.382 402 HD1 TYR 55 HD2 TYR 55 -10.938 22.079 8.811 403 HD2 TYR 55 HD1 TYR 55 -8.488 18.630 8.375 404 HE1 TYR 55 HE2 TYR 55 -10.391 22.759 6.512 405 HE2 TYR 55 HE1 TYR 55 -7.938 19.303 6.082 406 HH TYR 55 HH TYR 55 -8.603 22.393 4.878 407 H PHE 56 HN PHE 56 -9.652 21.983 13.147 408 HA PHE 56 HA PHE 56 -10.125 19.774 15.012 409 HB2 PHE 56 HB2 PHE 56 -9.646 22.683 15.676 410 HB3 PHE 56 HB1 PHE 56 -9.677 21.321 16.796 411 HD1 PHE 56 HD2 PHE 56 -7.876 19.576 16.645 412 HD2 PHE 56 HD1 PHE 56 -7.677 23.269 14.534 413 HE1 PHE 56 HE2 PHE 56 -5.463 19.266 16.330 414 HE2 PHE 56 HE1 PHE 56 -5.257 22.959 14.221 415 HZ PHE 56 HZ PHE 56 -4.151 20.953 15.121 416 H PHE 57 HN PHE 57 -12.042 19.434 15.854 417 HA PHE 57 HA PHE 57 -14.328 20.735 14.819 418 HB2 PHE 57 HB2 PHE 57 -15.590 19.205 16.260 419 HB3 PHE 57 HB1 PHE 57 -14.305 18.335 15.455 420 HD1 PHE 57 HD2 PHE 57 -12.237 17.839 16.742 421 HD2 PHE 57 HD1 PHE 57 -15.814 19.234 18.529 422 HE1 PHE 57 HE2 PHE 57 -11.468 17.026 18.886 423 HE2 PHE 57 HE1 PHE 57 -15.060 18.417 20.691 424 HZ PHE 57 HZ PHE 57 -12.867 17.296 20.901 425 H GLN 58 HN GLN 58 -12.582 20.966 17.861 426 HA GLN 58 HA GLN 58 -12.673 22.376 19.622 427 HB2 GLN 58 HB2 GLN 58 -12.668 24.204 17.990 428 HB3 GLN 58 HB1 GLN 58 -14.410 24.073 17.811 429 HG2 GLN 58 HG2 GLN 58 -14.733 24.797 20.098 430 HG3 GLN 58 HG1 GLN 58 -12.990 24.838 20.356 431 HE21 GLN 58 HE21 GLN 58 -14.962 26.979 20.596 432 HE22 GLN 58 HE22 GLN 58 -14.449 28.223 19.514 433 H GLN 59 HN GLN 59 -13.704 21.885 21.422 434 HA GLN 59 HA GLN 59 -16.260 20.673 21.362 435 HB2 GLN 59 HB2 GLN 59 -14.497 20.045 22.983 436 HB3 GLN 59 HB1 GLN 59 -14.683 21.609 23.760 437 HG2 GLN 59 HG2 GLN 59 -16.970 21.070 24.365 438 HG3 GLN 59 HG1 GLN 59 -16.836 19.525 23.529 439 HE21 GLN 59 HE21 GLN 59 -15.653 17.884 24.445 440 HE22 GLN 59 HE22 GLN 59 -15.145 17.904 26.097 441 H ALA 60 HN ALA 60 -17.651 22.158 20.502 442 HA ALA 60 HA ALA 60 -18.357 24.403 22.252 443 HB1 ALA 60 HB1 ALA 60 -17.682 25.076 19.994 444 HB2 ALA 60 HB2 ALA 60 -19.380 25.440 20.291 445 HB3 ALA 60 HB3 ALA 60 -18.937 24.043 19.313 446 HA PRO 61 HA PRO 61 -21.783 21.539 22.997 447 HB2 PRO 61 HB2 PRO 61 -22.687 22.778 25.233 448 HB3 PRO 61 HB1 PRO 61 -21.292 21.694 25.235 449 HG2 PRO 61 HG2 PRO 61 -21.367 24.686 25.188 450 HG3 PRO 61 HG1 PRO 61 -20.309 23.608 26.116 451 HD2 PRO 61 HD2 PRO 61 -19.524 24.855 23.837 452 HD3 PRO 61 HD1 PRO 61 -18.883 23.279 24.345 453 H ASN 62 HN ASN 62 -21.791 24.886 22.315 454 HA ASN 62 HA ASN 62 -24.663 25.193 22.385 455 HB2 ASN 62 HB2 ASN 62 -24.234 27.469 21.542 456 HB3 ASN 62 HB1 ASN 62 -23.274 27.105 22.971 457 HD21 ASN 62 HD21 ASN 62 -22.829 29.109 20.956 458 HD22 ASN 62 HD22 ASN 62 -21.272 28.792 20.271 459 H ARG 63 HN ARG 63 -22.481 23.878 20.234 460 HA ARG 63 HA ARG 63 -24.464 24.006 18.075 461 HB2 ARG 63 HB2 ARG 63 -21.484 24.423 17.784 462 HB3 ARG 63 HB1 ARG 63 -22.539 24.042 16.435 463 HG2 ARG 63 HG2 ARG 63 -23.803 26.120 16.911 464 HG3 ARG 63 HG1 ARG 63 -22.612 26.505 18.158 465 HD2 ARG 63 HD2 ARG 63 -21.955 26.009 15.258 466 HD3 ARG 63 HD1 ARG 63 -22.168 27.608 15.972 467 HE ARG 63 HE ARG 63 -19.926 25.780 16.354 468 HH11 ARG 63 HH11 ARG 63 -21.501 28.780 17.295 469 HH12 ARG 63 HH12 ARG 63 -20.075 29.464 17.986 470 HH21 ARG 63 HH21 ARG 63 -18.024 26.699 17.271 471 HH22 ARG 63 HH22 ARG 63 -18.090 28.277 17.976 472 H ARG 64 HN ARG 64 -23.115 22.446 16.265 473 HA ARG 64 HA ARG 64 -23.293 19.841 17.482 474 HB2 ARG 64 HB2 ARG 64 -23.040 18.953 15.225 475 HB3 ARG 64 HB1 ARG 64 -24.249 20.227 15.227 476 HG2 ARG 64 HG2 ARG 64 -21.479 21.015 14.602 477 HG3 ARG 64 HG1 ARG 64 -22.320 20.044 13.392 478 HD2 ARG 64 HD2 ARG 64 -24.067 21.663 13.218 479 HD3 ARG 64 HD1 ARG 64 -23.449 22.575 14.590 480 HE ARG 64 HE ARG 64 -21.449 23.018 13.170 481 HH11 ARG 64 HH11 ARG 64 -24.567 22.324 11.693 482 HH12 ARG 64 HH12 ARG 64 -24.204 23.177 10.239 483 HH21 ARG 64 HH21 ARG 64 -20.966 24.100 11.239 484 HH22 ARG 64 HH22 ARG 64 -22.133 24.183 9.971 485 H ARG 65 HN ARG 65 -21.623 18.658 18.164 486 HA ARG 65 HA ARG 65 -19.010 19.770 18.192 487 HB2 ARG 65 HB2 ARG 65 -20.050 17.053 18.961 488 HB3 ARG 65 HB1 ARG 65 -18.394 17.580 19.224 489 HG2 ARG 65 HG2 ARG 65 -19.175 19.380 20.658 490 HG3 ARG 65 HG1 ARG 65 -20.845 18.891 20.370 491 HD2 ARG 65 HD2 ARG 65 -20.331 16.691 21.350 492 HD3 ARG 65 HD1 ARG 65 -18.699 17.259 21.696 493 HE ARG 65 HE ARG 65 -19.559 18.695 23.338 494 HH11 ARG 65 HH11 ARG 65 -22.040 16.722 21.832 495 HH12 ARG 65 HH12 ARG 65 -23.202 16.998 23.087 496 HH21 ARG 65 HH21 ARG 65 -21.086 19.053 25.002 497 HH22 ARG 65 HH22 ARG 65 -22.658 18.333 24.895 498 H ILE 66 HN ILE 66 -20.508 17.082 16.466 499 HA ILE 66 HA ILE 66 -18.072 16.598 14.977 500 HB ILE 66 HB ILE 66 -19.266 14.634 15.731 501 HG12 ILE 66 HG12 ILE 66 -19.644 14.859 12.740 502 HG13 ILE 66 HG11 ILE 66 -18.091 14.578 13.516 503 HG21 ILE 66 HG21 ILE 66 -21.617 15.649 14.148 504 HG22 ILE 66 HG22 ILE 66 -21.507 15.497 15.902 505 HG23 ILE 66 HG23 ILE 66 -21.511 14.052 14.892 506 HD11 ILE 66 HD11 ILE 66 -19.075 12.516 12.661 507 HD12 ILE 66 HD12 ILE 66 -20.493 12.765 13.678 508 HD13 ILE 66 HD13 ILE 66 -18.920 12.467 14.417 509 H SER 67 HN SER 67 -17.712 17.187 12.954 510 HA SER 67 HA SER 67 -19.642 19.029 11.762 511 HB2 SER 67 HB2 SER 67 -17.299 19.768 12.189 512 HB3 SER 67 HB1 SER 67 -16.751 18.563 11.026 513 HG SER 67 HG SER 67 -18.155 19.656 9.492 514 H ARG 68 HN ARG 68 -19.946 16.094 11.536 515 HA ARG 68 HA ARG 68 -20.053 15.957 8.607 516 HB2 ARG 68 HB2 ARG 68 -18.150 14.588 9.864 517 HB3 ARG 68 HB1 ARG 68 -19.467 13.462 10.147 518 HG2 ARG 68 HG2 ARG 68 -18.194 12.818 8.186 519 HG3 ARG 68 HG1 ARG 68 -19.835 13.291 7.731 520 HD2 ARG 68 HD2 ARG 68 -19.096 15.405 6.923 521 HD3 ARG 68 HD1 ARG 68 -17.496 15.191 7.625 522 HE ARG 68 HE ARG 68 -17.393 13.221 5.949 523 HH11 ARG 68 HH11 ARG 68 -19.032 16.270 5.352 524 HH12 ARG 68 HH12 ARG 68 -18.714 16.251 3.654 525 HH21 ARG 68 HH21 ARG 68 -16.958 13.217 3.675 526 HH22 ARG 68 HH22 ARG 68 -17.542 14.531 2.707 527 H GLU 69 HN GLU 69 -21.821 14.707 7.786 528 HA GLU 69 HA GLU 69 -24.090 14.768 9.543 529 HB2 GLU 69 HB2 GLU 69 -25.380 13.943 7.555 530 HB3 GLU 69 HB1 GLU 69 -24.519 15.447 7.293 531 HG2 GLU 69 HG2 GLU 69 -23.368 12.810 6.455 532 HG3 GLU 69 HG1 GLU 69 -24.495 13.701 5.435 533 H HIS 70 HN HIS 70 -25.445 13.046 10.124 534 HA HIS 70 HA HIS 70 -24.504 10.329 9.788 535 HB2 HIS 70 HB2 HIS 70 -24.280 9.911 12.213 536 HB3 HIS 70 HB1 HIS 70 -23.100 11.089 11.646 537 HD2 HIS 70 HD2 HIS 70 -26.115 10.866 14.092 538 HE1 HIS 70 HE1 HIS 70 -24.574 14.814 14.268 539 HE2 HIS 70 HE2 HIS 70 -26.172 13.166 15.296 540 H GLY 71 HN GLY 71 -25.946 8.801 11.052 541 HA2 GLY 71 HA2 GLY 71 -28.707 9.806 11.000 542 HA3 GLY 71 HA1 GLY 71 -28.230 8.125 10.780 543 H ARG 72 HN ARG 72 -29.867 7.755 12.504 544 HA ARG 72 HA ARG 72 -28.947 8.530 15.169 545 HB2 ARG 72 HB2 ARG 72 -31.506 7.228 14.260 546 HB3 ARG 72 HB1 ARG 72 -31.114 7.559 15.943 547 HG2 ARG 72 HG2 ARG 72 -31.047 9.941 15.487 548 HG3 ARG 72 HG1 ARG 72 -31.376 9.639 13.778 549 HD2 ARG 72 HD2 ARG 72 -33.520 8.614 14.390 550 HD3 ARG 72 HD1 ARG 72 -33.194 8.954 16.089 551 HE ARG 72 HE ARG 72 -33.014 11.392 14.911 552 HH11 ARG 72 HH11 ARG 72 -35.458 8.870 14.943 553 HH12 ARG 72 HH12 ARG 72 -36.783 9.959 14.737 554 HH21 ARG 72 HH21 ARG 72 -34.789 12.853 14.632 555 HH22 ARG 72 HH22 ARG 72 -36.401 12.239 14.561 556 H THR 73 HN THR 73 -28.910 5.867 13.089 557 HA THR 73 HA THR 73 -27.987 4.199 15.310 558 HB THR 73 HB THR 73 -28.744 2.296 13.834 559 HG1 THR 73 HG1 THR 73 -30.644 3.106 12.494 560 HG21 THR 73 HG21 THR 73 -29.912 2.953 15.892 561 HG22 THR 73 HG22 THR 73 -31.054 2.417 14.659 562 HG23 THR 73 HG23 THR 73 -30.844 4.138 14.978 563 H TRP 74 HN TRP 74 -27.009 5.849 12.646 564 HA TRP 74 HA TRP 74 -24.665 4.167 12.292 565 HB2 TRP 74 HB2 TRP 74 -24.824 4.426 9.798 566 HB3 TRP 74 HB1 TRP 74 -26.061 3.388 10.495 567 HD1 TRP 74 HD1 TRP 74 -28.594 4.313 10.471 568 HE1 TRP 74 HE1 TRP 74 -29.748 6.086 9.008 569 HE3 TRP 74 HE3 TRP 74 -24.443 6.652 8.610 570 HZ2 TRP 74 HZ2 TRP 74 -28.999 8.200 7.295 571 HZ3 TRP 74 HZ3 TRP 74 -24.753 8.545 7.056 572 HH2 TRP 74 HH2 TRP 74 -26.987 9.298 6.415 573 H THR 75 HN THR 75 -22.839 5.299 11.603 574 HA THR 75 HA THR 75 -23.149 8.220 11.523 575 HB THR 75 HB THR 75 -20.961 6.700 12.950 576 HG1 THR 75 HG1 THR 75 -22.054 7.090 14.756 577 HG21 THR 75 HG21 THR 75 -21.544 9.665 12.807 578 HG22 THR 75 HG22 THR 75 -20.201 8.839 12.014 579 HG23 THR 75 HG23 THR 75 -20.278 8.905 13.774 580 H LYS 76 HN LYS 76 -22.128 9.220 9.928 581 HA LYS 76 HA LYS 76 -20.418 7.714 8.119 582 HB2 LYS 76 HB2 LYS 76 -22.172 9.093 7.137 583 HB3 LYS 76 HB1 LYS 76 -21.604 10.499 8.022 584 HG2 LYS 76 HG2 LYS 76 -19.497 10.398 6.730 585 HG3 LYS 76 HG1 LYS 76 -20.214 9.102 5.763 586 HD2 LYS 76 HD2 LYS 76 -22.022 10.557 5.089 587 HD3 LYS 76 HD1 LYS 76 -21.415 11.842 6.132 588 HE2 LYS 76 HE2 LYS 76 -19.354 11.887 4.821 589 HE3 LYS 76 HE1 LYS 76 -20.038 10.683 3.721 590 HZ1 LYS 76 HZ1 LYS 76 -21.119 13.396 4.257 591 HZ2 LYS 76 HZ2 LYS 76 -21.834 12.255 3.233 592 HZ3 LYS 76 HZ3 LYS 76 -20.329 12.917 2.839 593 H LEU 77 HN LEU 77 -18.303 7.690 8.594 594 HA LEU 77 HA LEU 77 -17.166 10.059 9.922 595 HB2 LEU 77 HB2 LEU 77 -16.266 7.188 10.035 596 HB3 LEU 77 HB1 LEU 77 -15.394 8.535 10.745 597 HG LEU 77 HG LEU 77 -18.173 7.661 11.537 598 HD11 LEU 77 HD11 LEU 77 -16.503 6.017 12.182 599 HD12 LEU 77 HD12 LEU 77 -17.107 6.880 13.595 600 HD13 LEU 77 HD13 LEU 77 -15.527 7.282 12.925 601 HD21 LEU 77 HD21 LEU 77 -17.836 9.202 13.419 602 HD22 LEU 77 HD22 LEU 77 -17.834 10.038 11.868 603 HD23 LEU 77 HD23 LEU 77 -16.313 9.727 12.704 604 H THR 78 HN THR 78 -15.794 11.218 8.844 605 HA THR 78 HA THR 78 -14.453 10.048 6.508 606 HB THR 78 HB THR 78 -15.066 12.959 7.096 607 HG1 THR 78 HG1 THR 78 -16.559 10.963 6.091 608 HG21 THR 78 HG21 THR 78 -13.067 12.685 5.702 609 HG22 THR 78 HG22 THR 78 -14.405 13.313 4.742 610 HG23 THR 78 HG23 THR 78 -13.957 11.611 4.622 611 H TYR 79 HN TYR 79 -12.306 9.800 6.675 612 HA TYR 79 HA TYR 79 -10.996 11.043 9.000 613 HB2 TYR 79 HB2 TYR 79 -10.002 8.728 7.334 614 HB3 TYR 79 HB1 TYR 79 -9.376 9.271 8.886 615 HD1 TYR 79 HD2 TYR 79 -10.862 9.031 10.933 616 HD2 TYR 79 HD1 TYR 79 -11.748 7.170 7.213 617 HE1 TYR 79 HE2 TYR 79 -12.393 7.476 12.076 618 HE2 TYR 79 HE1 TYR 79 -13.277 5.622 8.343 619 HH TYR 79 HH TYR 79 -13.648 4.702 10.571 620 H ALA 80 HN ALA 80 -11.336 11.526 5.776 621 HA ALA 80 HA ALA 80 -10.315 12.817 4.221 622 HB1 ALA 80 HB1 ALA 80 -9.867 14.414 6.017 623 HB2 ALA 80 HB2 ALA 80 -8.540 14.376 4.854 624 HB3 ALA 80 HB3 ALA 80 -8.371 13.562 6.410 625 H ASN 81 HN ASN 81 -8.187 10.773 6.110 626 HA ASN 81 HA ASN 81 -6.463 10.348 3.782 627 HB2 ASN 81 HB2 ASN 81 -6.175 9.447 6.658 628 HB3 ASN 81 HB1 ASN 81 -5.027 9.080 5.380 629 HD21 ASN 81 HD21 ASN 81 -5.269 11.709 4.136 630 HD22 ASN 81 HD22 ASN 81 -4.444 12.808 5.185 631 H HIS 82 HN HIS 82 -6.334 8.405 2.754 632 HA HIS 82 HA HIS 82 -8.542 6.607 3.168 633 HB2 HIS 82 HB2 HIS 82 -7.886 5.559 1.128 634 HB3 HIS 82 HB1 HIS 82 -7.669 7.284 0.903 635 HD2 HIS 82 HD2 HIS 82 -5.637 4.021 0.785 636 HE1 HIS 82 HE1 HIS 82 -2.920 7.209 0.161 637 HE2 HIS 82 HE2 HIS 82 -3.201 4.716 0.315 638 H SER 83 HN SER 83 -5.363 6.863 4.249 639 HA SER 83 HA SER 83 -4.606 4.183 4.578 640 HB2 SER 83 HB2 SER 83 -3.928 6.511 6.390 641 HB3 SER 83 HB1 SER 83 -2.998 5.028 6.169 642 HG SER 83 HG SER 83 -2.435 5.674 4.135 643 H SER 84 HN SER 84 -6.513 6.358 6.624 644 HA SER 84 HA SER 84 -6.733 4.568 8.815 645 HB2 SER 84 HB2 SER 84 -8.569 6.867 8.146 646 HB3 SER 84 HB1 SER 84 -8.240 6.178 9.738 647 HG SER 84 HG SER 84 -6.605 7.484 9.873 648 H TYR 85 HN TYR 85 -8.310 4.772 5.793 649 HA TYR 85 HA TYR 85 -10.873 3.788 6.362 650 HB2 TYR 85 HB2 TYR 85 -10.375 4.740 4.208 651 HB3 TYR 85 HB1 TYR 85 -9.121 3.549 3.909 652 HD1 TYR 85 HD1 TYR 85 -12.750 4.146 3.988 653 HD2 TYR 85 HD2 TYR 85 -9.679 1.333 3.112 654 HE1 TYR 85 HE1 TYR 85 -14.371 2.755 2.781 655 HE2 TYR 85 HE2 TYR 85 -11.288 -0.068 1.910 656 HH TYR 85 HH TYR 85 -14.276 1.000 0.931 657 H LEU 86 HN LEU 86 -7.902 2.060 5.449 658 HA LEU 86 HA LEU 86 -9.031 -0.522 5.515 659 HB2 LEU 86 HB2 LEU 86 -6.177 0.411 5.794 660 HB3 LEU 86 HB1 LEU 86 -6.617 -1.280 5.766 661 HG LEU 86 HG LEU 86 -5.852 -0.762 3.609 662 HD11 LEU 86 HD11 LEU 86 -7.854 -2.140 3.640 663 HD12 LEU 86 HD12 LEU 86 -7.769 -1.154 2.180 664 HD13 LEU 86 HD13 LEU 86 -8.859 -0.699 3.486 665 HD21 LEU 86 HD21 LEU 86 -6.741 1.074 2.238 666 HD22 LEU 86 HD22 LEU 86 -5.929 1.654 3.692 667 HD23 LEU 86 HD23 LEU 86 -7.691 1.626 3.616 668 H ARG 87 HN ARG 87 -7.339 1.363 7.937 669 HA ARG 87 HA ARG 87 -7.205 -0.679 9.888 670 HB2 ARG 87 HB2 ARG 87 -5.727 1.277 9.872 671 HB3 ARG 87 HB1 ARG 87 -7.094 2.315 10.240 672 HG2 ARG 87 HG2 ARG 87 -7.343 1.301 12.408 673 HG3 ARG 87 HG1 ARG 87 -6.091 0.113 12.033 674 HD2 ARG 87 HD2 ARG 87 -5.680 3.102 12.151 675 HD3 ARG 87 HD1 ARG 87 -5.249 1.963 13.429 676 HE ARG 87 HE ARG 87 -3.945 0.954 11.310 677 HH11 ARG 87 HH11 ARG 87 -4.076 4.203 12.635 678 HH12 ARG 87 HH12 ARG 87 -2.485 4.621 12.119 679 HH21 ARG 87 HH21 ARG 87 -1.827 1.514 10.613 680 HH22 ARG 87 HH22 ARG 87 -1.204 3.091 10.950 681 H ALA 88 HN ALA 88 -9.532 1.936 9.332 682 HA ALA 88 HA ALA 88 -11.078 1.335 11.677 683 HB1 ALA 88 HB1 ALA 88 -12.655 2.987 10.824 684 HB2 ALA 88 HB2 ALA 88 -11.800 3.016 9.279 685 HB3 ALA 88 HB3 ALA 88 -10.999 3.595 10.741 686 H LEU 89 HN LEU 89 -10.858 -0.057 8.625 687 HA LEU 89 HA LEU 89 -13.582 -0.941 8.379 688 HB2 LEU 89 HB2 LEU 89 -12.061 -0.536 6.438 689 HB3 LEU 89 HB1 LEU 89 -11.109 -1.917 6.939 690 HG LEU 89 HG LEU 89 -13.084 -3.370 6.569 691 HD11 LEU 89 HD11 LEU 89 -14.970 -2.481 5.270 692 HD12 LEU 89 HD12 LEU 89 -14.300 -0.858 5.436 693 HD13 LEU 89 HD13 LEU 89 -14.849 -1.738 6.863 694 HD21 LEU 89 HD21 LEU 89 -12.182 -1.723 4.210 695 HD22 LEU 89 HD22 LEU 89 -12.986 -3.290 4.114 696 HD23 LEU 89 HD23 LEU 89 -11.387 -3.164 4.851 697 H ARG 90 HN ARG 90 -11.103 -1.808 10.370 698 HA ARG 90 HA ARG 90 -10.865 -4.543 10.374 699 HB2 ARG 90 HB2 ARG 90 -10.338 -4.401 12.779 700 HB3 ARG 90 HB1 ARG 90 -9.503 -3.180 11.834 701 HG2 ARG 90 HG2 ARG 90 -10.888 -1.458 12.664 702 HG3 ARG 90 HG1 ARG 90 -12.050 -2.613 13.323 703 HD2 ARG 90 HD2 ARG 90 -9.193 -2.361 14.250 704 HD3 ARG 90 HD1 ARG 90 -10.565 -1.575 15.035 705 HE ARG 90 HE ARG 90 -11.436 -4.031 15.130 706 HH11 ARG 90 HH11 ARG 90 -8.138 -2.961 15.662 707 HH12 ARG 90 HH12 ARG 90 -7.731 -4.293 16.688 708 HH21 ARG 90 HH21 ARG 90 -10.906 -5.789 16.504 709 HH22 ARG 90 HH22 ARG 90 -9.326 -5.897 17.190 710 H GLU 91 HN GLU 91 -12.466 -5.949 10.210 711 HA GLU 91 HA GLU 91 -14.710 -5.760 12.098 712 HB2 GLU 91 HB2 GLU 91 -15.852 -7.372 10.628 713 HB3 GLU 91 HB1 GLU 91 -15.404 -5.909 9.764 714 HG2 GLU 91 HG2 GLU 91 -13.602 -6.998 8.674 715 HG3 GLU 91 HG1 GLU 91 -13.745 -8.413 9.714 716 H HIS 92 HN HIS 92 -11.772 -6.967 12.007 717 HA HIS 92 HA HIS 92 -12.196 -9.741 12.567 718 HB2 HIS 92 HB2 HIS 92 -9.763 -7.986 12.892 719 HB3 HIS 92 HB1 HIS 92 -9.767 -9.726 13.150 720 HD2 HIS 92 HD2 HIS 92 -9.620 -11.257 10.844 721 HE1 HIS 92 HE1 HIS 92 -9.561 -8.007 8.123 722 HE2 HIS 92 HE2 HIS 92 -9.096 -10.452 8.444 723 H GLY 93 HN GLY 93 -13.562 -9.891 14.297 724 HA2 GLY 93 HA2 GLY 93 -14.032 -10.213 16.515 725 HA3 GLY 93 HA1 GLY 93 -12.317 -10.008 16.823 726 H THR 94 HN THR 94 -14.230 -7.507 15.303 727 HA THR 94 HA THR 94 -13.538 -5.736 17.466 728 HB THR 94 HB THR 94 -15.249 -5.079 15.053 729 HG1 THR 94 HG1 THR 94 -13.389 -4.633 13.966 730 HG21 THR 94 HG21 THR 94 -14.480 -2.790 15.472 731 HG22 THR 94 HG22 THR 94 -13.525 -3.352 16.843 732 HG23 THR 94 HG23 THR 94 -15.286 -3.437 16.904 733 H ILE 95 HN ILE 95 -14.723 -6.727 19.141 734 HA ILE 95 HA ILE 95 -17.634 -6.339 19.024 735 HB ILE 95 HB ILE 95 -15.998 -8.212 20.747 736 HG12 ILE 95 HG12 ILE 95 -18.150 -8.826 18.716 737 HG13 ILE 95 HG11 ILE 95 -16.423 -8.897 18.373 738 HG21 ILE 95 HG21 ILE 95 -18.120 -8.985 21.698 739 HG22 ILE 95 HG22 ILE 95 -18.978 -7.738 20.791 740 HG23 ILE 95 HG23 ILE 95 -17.835 -7.281 22.053 741 HD11 ILE 95 HD11 ILE 95 -16.172 -10.649 20.066 742 HD12 ILE 95 HD12 ILE 95 -17.325 -11.109 18.814 743 HD13 ILE 95 HD13 ILE 95 -17.905 -10.574 20.391 744 H TYR 96 HN TYR 96 -18.485 -4.814 20.229 745 HA TYR 96 HA TYR 96 -17.059 -3.940 22.631 746 HB2 TYR 96 HB2 TYR 96 -16.687 -2.450 20.523 747 HB3 TYR 96 HB1 TYR 96 -18.347 -1.931 20.802 748 HD1 TYR 96 HD1 TYR 96 -14.917 -1.856 22.044 749 HD2 TYR 96 HD2 TYR 96 -18.914 -0.590 22.759 750 HE1 TYR 96 HE1 TYR 96 -14.103 -0.254 23.719 751 HE2 TYR 96 HE2 TYR 96 -18.115 1.019 24.424 752 HH TYR 96 HH TYR 96 -14.888 1.901 24.754 753 H CYS 97 HN CYS 97 -18.404 -3.647 24.338 754 HA CYS 97 HA CYS 97 -20.272 -3.545 25.607 755 HB2 CYS 97 HB2 CYS 97 -20.860 -1.583 24.188 756 HB3 CYS 97 HB1 CYS 97 -21.692 -2.658 23.073 757 HG CYS 97 HG CYS 97 -23.518 -3.499 25.122 758 H GLY 98 HN GLY 98 -19.526 -5.849 23.745 759 HA2 GLY 98 HA2 GLY 98 -20.268 -8.064 24.102 760 HA3 GLY 98 HA1 GLY 98 -21.886 -7.452 24.406 761 H ALA 99 HN ALA 99 -21.140 -5.749 21.800 762 HA ALA 99 HA ALA 99 -21.873 -7.906 19.931 763 HB1 ALA 99 HB1 ALA 99 -23.863 -6.595 20.523 764 HB2 ALA 99 HB2 ALA 99 -23.436 -6.424 18.819 765 HB3 ALA 99 HB3 ALA 99 -23.053 -5.133 19.961 766 H ALA 100 HN ALA 100 -21.102 -7.749 17.865 767 HA ALA 100 HA ALA 100 -18.762 -6.124 17.487 768 HB1 ALA 100 HB1 ALA 100 -20.178 -7.947 15.541 769 HB2 ALA 100 HB2 ALA 100 -18.872 -8.424 16.625 770 HB3 ALA 100 HB3 ALA 100 -18.567 -7.262 15.337 771 H ILE 101 HN ILE 101 -18.511 -4.409 16.118 772 HA ILE 101 HA ILE 101 -20.993 -3.121 15.266 773 HB ILE 101 HB ILE 101 -19.652 -1.070 14.977 774 HG12 ILE 101 HG12 ILE 101 -17.358 -2.669 16.135 775 HG13 ILE 101 HG11 ILE 101 -17.501 -2.215 14.438 776 HG21 ILE 101 HG21 ILE 101 -19.219 -0.622 17.339 777 HG22 ILE 101 HG22 ILE 101 -19.307 -2.348 17.688 778 HG23 ILE 101 HG23 ILE 101 -20.740 -1.487 17.115 779 HD11 ILE 101 HD11 ILE 101 -17.266 -0.317 16.765 780 HD12 ILE 101 HD12 ILE 101 -17.414 0.143 15.067 781 HD13 ILE 101 HD13 ILE 101 -15.985 -0.731 15.623 782 H GLY 102 HN GLY 102 -21.139 -2.148 13.155 783 HA2 GLY 102 HA2 GLY 102 -19.496 -3.629 11.196 784 HA3 GLY 102 HA1 GLY 102 -21.189 -3.230 10.948 785 H CYS 103 HN CYS 103 -18.375 -2.526 9.758 786 HA CYS 103 HA CYS 103 -19.099 0.258 9.245 787 HB2 CYS 103 HB2 CYS 103 -16.616 0.737 9.117 788 HB3 CYS 103 HB1 CYS 103 -17.256 0.444 10.728 789 HG CYS 103 HG CYS 103 -14.652 -0.684 10.331 790 H VAL 104 HN VAL 104 -19.202 0.772 7.178 791 HA VAL 104 HA VAL 104 -17.865 -0.934 5.174 792 HB VAL 104 HB VAL 104 -19.891 -0.521 3.685 793 HG11 VAL 104 HG11 VAL 104 -19.491 -2.703 4.693 794 HG12 VAL 104 HG12 VAL 104 -21.211 -2.339 4.571 795 HG13 VAL 104 HG13 VAL 104 -20.390 -2.207 6.131 796 HG21 VAL 104 HG21 VAL 104 -22.031 -0.067 4.820 797 HG22 VAL 104 HG22 VAL 104 -20.909 1.292 4.901 798 HG23 VAL 104 HG23 VAL 104 -21.144 0.259 6.311 799 HA PRO 105 HA PRO 105 -16.730 2.979 3.286 800 HB2 PRO 105 HB2 PRO 105 -17.136 2.429 0.629 801 HB3 PRO 105 HB1 PRO 105 -15.717 1.865 1.516 802 HG2 PRO 105 HG2 PRO 105 -18.243 0.396 0.857 803 HG3 PRO 105 HG1 PRO 105 -16.564 -0.167 0.755 804 HD2 PRO 105 HD2 PRO 105 -18.135 -0.849 2.816 805 HD3 PRO 105 HD1 PRO 105 -16.407 -0.505 3.049 806 H TYR 106 HN TYR 106 -17.745 4.799 2.135 807 HA TYR 106 HA TYR 106 -20.464 5.063 2.733 808 HB2 TYR 106 HB2 TYR 106 -18.893 6.974 2.445 809 HB3 TYR 106 HB1 TYR 106 -18.904 6.673 0.712 810 HD1 TYR 106 HD1 TYR 106 -20.954 7.775 3.574 811 HD2 TYR 106 HD2 TYR 106 -20.731 7.413 -0.662 812 HE1 TYR 106 HE1 TYR 106 -22.925 9.223 3.352 813 HE2 TYR 106 HE2 TYR 106 -22.699 8.865 -0.898 814 HH TYR 106 HH TYR 106 -24.684 9.527 0.500 815 H LYS 107 HN LYS 107 -21.771 3.589 1.913 816 HA LYS 107 HA LYS 107 -21.781 3.044 -0.950 817 HB2 LYS 107 HB2 LYS 107 -21.781 1.148 0.665 818 HB3 LYS 107 HB1 LYS 107 -23.299 1.728 1.321 819 HG2 LYS 107 HG2 LYS 107 -24.403 1.289 -0.798 820 HG3 LYS 107 HG1 LYS 107 -22.864 0.766 -1.491 821 HD2 LYS 107 HD2 LYS 107 -22.746 -1.063 0.097 822 HD3 LYS 107 HD1 LYS 107 -24.250 -0.537 0.852 823 HE2 LYS 107 HE2 LYS 107 -24.684 -2.392 -0.637 824 HE3 LYS 107 HE1 LYS 107 -25.428 -0.928 -1.274 825 HZ1 LYS 107 HZ1 LYS 107 -24.346 -2.192 -3.010 826 HZ2 LYS 107 HZ2 LYS 107 -22.866 -2.121 -2.203 827 HZ3 LYS 107 HZ3 LYS 107 -23.563 -0.706 -2.820 828 H HIS 108 HN HIS 108 -23.069 4.205 -2.179 829 HA HIS 108 HA HIS 108 -24.799 6.185 -1.223 830 HB2 HIS 108 HB2 HIS 108 -23.685 6.240 -3.421 831 HB3 HIS 108 HB1 HIS 108 -24.728 4.942 -3.976 832 HD2 HIS 108 HD2 HIS 108 -24.959 8.771 -3.168 833 HE1 HIS 108 HE1 HIS 108 -28.428 7.604 -5.305 834 HE2 HIS 108 HE2 HIS 108 -27.221 9.502 -4.185 835 H GLU 109 HN GLU 109 -25.531 2.989 -2.577 836 HA GLU 109 HA GLU 109 -28.340 3.320 -2.508 837 HB2 GLU 109 HB2 GLU 109 -27.080 1.629 -3.872 838 HB3 GLU 109 HB1 GLU 109 -26.835 0.705 -2.398 839 HG2 GLU 109 HG2 GLU 109 -28.681 -0.217 -3.604 840 HG3 GLU 109 HG1 GLU 109 -29.283 0.549 -2.135 841 H LEU 110 HN LEU 110 -26.003 2.310 -0.134 842 HA LEU 110 HA LEU 110 -27.713 0.996 1.669 843 HB2 LEU 110 HB2 LEU 110 -25.286 0.840 1.825 844 HB3 LEU 110 HB1 LEU 110 -25.182 2.543 2.207 845 HG LEU 110 HG LEU 110 -26.485 2.088 4.296 846 HD11 LEU 110 HD11 LEU 110 -25.956 -0.787 3.564 847 HD12 LEU 110 HD12 LEU 110 -27.533 0.001 3.605 848 HD13 LEU 110 HD13 LEU 110 -26.616 -0.218 5.096 849 HD21 LEU 110 HD21 LEU 110 -24.070 2.347 4.336 850 HD22 LEU 110 HD22 LEU 110 -23.867 0.634 3.968 851 HD23 LEU 110 HD23 LEU 110 -24.581 1.128 5.503 852 H ILE 111 HN ILE 111 -26.807 4.382 1.299 853 HA ILE 111 HA ILE 111 -28.074 5.356 3.612 854 HB ILE 111 HB ILE 111 -27.709 6.805 0.977 855 HG12 ILE 111 HG12 ILE 111 -25.578 5.883 1.759 856 HG13 ILE 111 HG11 ILE 111 -25.589 7.633 1.917 857 HG21 ILE 111 HG21 ILE 111 -27.713 8.842 2.347 858 HG22 ILE 111 HG22 ILE 111 -28.040 7.872 3.783 859 HG23 ILE 111 HG23 ILE 111 -29.229 7.952 2.482 860 HD11 ILE 111 HD11 ILE 111 -24.550 6.596 3.841 861 HD12 ILE 111 HD12 ILE 111 -26.004 5.646 4.146 862 HD13 ILE 111 HD13 ILE 111 -26.045 7.401 4.310 863 H SER 112 HN SER 112 -29.206 4.920 0.294 864 HA SER 112 HA SER 112 -31.796 5.931 0.618 865 HB2 SER 112 HB2 SER 112 -30.908 3.711 -1.235 866 HB3 SER 112 HB1 SER 112 -32.313 4.761 -1.443 867 HG SER 112 HG SER 112 -30.314 5.305 -2.642 868 H GLU 113 HN GLU 113 -30.470 2.666 1.086 869 HA GLU 113 HA GLU 113 -32.940 1.423 1.678 870 HB2 GLU 113 HB2 GLU 113 -30.116 0.636 2.408 871 HB3 GLU 113 HB1 GLU 113 -31.520 -0.376 2.704 872 HG2 GLU 113 HG2 GLU 113 -31.973 -0.393 0.282 873 HG3 GLU 113 HG1 GLU 113 -30.492 0.531 0.026 874 H LEU 114 HN LEU 114 -30.472 2.910 3.713 875 HA LEU 114 HA LEU 114 -31.656 2.232 6.175 876 HB2 LEU 114 HB2 LEU 114 -29.774 4.444 5.447 877 HB3 LEU 114 HB1 LEU 114 -30.259 4.066 7.086 878 HG LEU 114 HG LEU 114 -28.780 2.201 5.234 879 HD11 LEU 114 HD11 LEU 114 -27.406 4.040 5.965 880 HD12 LEU 114 HD12 LEU 114 -26.916 2.541 6.765 881 HD13 LEU 114 HD13 LEU 114 -27.872 3.740 7.640 882 HD21 LEU 114 HD21 LEU 114 -28.518 0.802 7.249 883 HD22 LEU 114 HD22 LEU 114 -30.198 0.955 6.745 884 HD23 LEU 114 HD23 LEU 114 -29.604 1.885 8.122 885 H SER 115 HN SER 115 -32.097 4.982 4.016 886 HA SER 115 HA SER 115 -33.681 6.432 5.907 887 HB2 SER 115 HB2 SER 115 -34.054 7.979 3.952 888 HB3 SER 115 HB1 SER 115 -32.369 7.732 4.405 889 HG SER 115 HG SER 115 -32.041 6.538 2.638 890 H ARG 116 HN ARG 116 -34.435 3.732 4.201 891 HA ARG 116 HA ARG 116 -36.974 4.377 3.114 892 HB2 ARG 116 HB2 ARG 116 -37.353 2.044 2.877 893 HB3 ARG 116 HB1 ARG 116 -35.629 2.274 2.635 894 HG2 ARG 116 HG2 ARG 116 -35.241 1.555 4.965 895 HG3 ARG 116 HG1 ARG 116 -36.970 1.259 5.131 896 HD2 ARG 116 HD2 ARG 116 -35.179 -0.075 3.105 897 HD3 ARG 116 HD1 ARG 116 -35.674 -0.785 4.641 898 HE ARG 116 HE ARG 116 -37.968 -0.017 3.210 899 HH11 ARG 116 HH11 ARG 116 -35.398 -2.414 3.123 900 HH12 ARG 116 HH12 ARG 116 -36.325 -3.573 2.241 901 HH21 ARG 116 HH21 ARG 116 -39.214 -1.575 2.035 902 HH22 ARG 116 HH22 ARG 116 -38.497 -3.094 1.616 903 H GLU 117 HN GLU 117 -35.885 3.996 6.309 904 HA GLU 117 HA GLU 117 -38.348 3.249 7.511 905 HB2 GLU 117 HB2 GLU 117 -35.812 4.417 8.677 906 HB3 GLU 117 HB1 GLU 117 -37.195 3.916 9.634 907 HG2 GLU 117 HG2 GLU 117 -36.924 1.626 8.832 908 HG3 GLU 117 HG1 GLU 117 -35.528 2.131 7.880 909 H GLY 118 HN GLY 118 -39.742 4.685 6.660 910 HA2 GLY 118 HA2 GLY 118 -41.095 6.519 7.627 911 HA3 GLY 118 HA1 GLY 118 -39.591 7.420 7.783 912 H HIS 119 HN HIS 119 -38.930 6.061 5.073 913 HA HIS 119 HA HIS 119 -38.961 6.588 2.870 914 HB2 HIS 119 HB2 HIS 119 -41.820 7.390 3.446 915 HB3 HIS 119 HB1 HIS 119 -41.126 7.173 1.845 916 HD2 HIS 119 HD2 HIS 119 -40.463 4.433 1.231 917 HE1 HIS 119 HE1 HIS 119 -42.951 2.875 4.281 918 HE2 HIS 119 HE2 HIS 119 -41.548 2.338 2.265 919 H HIS 120 HN HIS 120 -38.248 8.647 4.882 920 HA HIS 120 HA HIS 120 -39.163 11.173 3.964 921 HB2 HIS 120 HB2 HIS 120 -38.246 10.818 6.229 922 HB3 HIS 120 HB1 HIS 120 -36.666 10.486 5.532 923 HD2 HIS 120 HD2 HIS 120 -35.081 12.685 5.394 924 HE1 HIS 120 HE1 HIS 120 -38.111 15.626 5.739 925 HE2 HIS 120 HE2 HIS 120 -35.640 15.164 5.838 926 H HIS 121 HN HIS 121 -38.732 12.046 2.073 927 HA HIS 121 HA HIS 121 -37.690 12.767 0.201 928 HB2 HIS 121 HB2 HIS 121 -35.866 13.453 1.801 929 HB3 HIS 121 HB1 HIS 121 -35.079 11.912 1.491 930 HD2 HIS 121 HD2 HIS 121 -36.415 14.634 -1.073 931 HE1 HIS 121 HE1 HIS 121 -32.399 13.651 -2.003 932 HE2 HIS 121 HE2 HIS 121 -34.491 14.812 -2.783 933 H HIS 122 HN HIS 122 -38.301 9.819 0.860 934 HA HIS 122 HA HIS 122 -36.609 8.381 -0.997 935 HB2 HIS 122 HB2 HIS 122 -37.427 7.323 1.093 936 HB3 HIS 122 HB1 HIS 122 -39.075 7.454 0.500 937 HD2 HIS 122 HD2 HIS 122 -35.899 5.839 -1.258 938 HE1 HIS 122 HE1 HIS 122 -39.108 3.064 -1.253 939 HE2 HIS 122 HE2 HIS 122 -36.735 3.495 -1.977 940 H HIS 123 HN HIS 123 -39.176 10.410 -1.361 941 HA HIS 123 HA HIS 123 -40.300 8.994 -3.666 942 HB2 HIS 123 HB2 HIS 123 -41.937 9.938 -2.127 943 HB3 HIS 123 HB1 HIS 123 -41.188 11.524 -2.256 944 HD2 HIS 123 HD2 HIS 123 -41.982 13.028 -4.457 945 HE1 HIS 123 HE1 HIS 123 -44.612 10.133 -6.085 946 HE2 HIS 123 HE2 HIS 123 -43.587 12.400 -6.385 947 H HIS 124 HN HIS 124 -39.486 9.377 -5.607 948 HA HIS 124 HA HIS 124 -38.132 11.943 -6.084 949 HB2 HIS 124 HB2 HIS 124 -36.662 9.950 -6.225 950 HB3 HIS 124 HB1 HIS 124 -37.690 9.306 -7.499 951 HD2 HIS 124 HD2 HIS 124 -35.491 12.582 -7.054 952 HE1 HIS 124 HE1 HIS 124 -35.404 11.332 -11.102 953 HE2 HIS 124 HE2 HIS 124 -34.404 12.862 -9.379 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -8.335 -1.681 -17.737 2 H2 MET 1 HT2 MET 1 -7.766 -1.866 -19.311 3 H3 MET 1 HT3 MET 1 -9.403 -2.083 -18.983 4 HA MET 1 HA MET 1 -7.862 0.433 -18.749 5 HB2 MET 1 HB2 MET 1 -9.204 1.227 -20.646 6 HB3 MET 1 HB1 MET 1 -8.264 -0.196 -21.083 7 HG2 MET 1 HG2 MET 1 -10.255 -1.583 -20.868 8 HG3 MET 1 HG1 MET 1 -11.197 -0.166 -20.403 9 HE1 MET 1 HE1 MET 1 -8.394 -0.611 -23.182 10 HE2 MET 1 HE2 MET 1 -9.406 -0.941 -24.589 11 HE3 MET 1 HE3 MET 1 -9.362 -2.082 -23.247 12 H SER 2 HN SER 2 -10.950 -1.211 -18.184 13 HA SER 2 HA SER 2 -12.155 1.217 -17.181 14 HB2 SER 2 HB2 SER 2 -13.203 -1.628 -17.170 15 HB3 SER 2 HB1 SER 2 -14.140 -0.181 -16.804 16 HG SER 2 HG SER 2 -13.440 0.521 -18.997 17 H LEU 3 HN LEU 3 -11.166 1.853 -15.342 18 HA LEU 3 HA LEU 3 -11.125 -0.072 -13.122 19 HB2 LEU 3 HB2 LEU 3 -8.871 0.431 -13.934 20 HB3 LEU 3 HB1 LEU 3 -9.150 2.141 -13.688 21 HG LEU 3 HG LEU 3 -9.356 1.712 -11.240 22 HD11 LEU 3 HD11 LEU 3 -8.417 -1.060 -11.920 23 HD12 LEU 3 HD12 LEU 3 -10.047 -0.630 -11.405 24 HD13 LEU 3 HD13 LEU 3 -8.681 -0.387 -10.307 25 HD21 LEU 3 HD21 LEU 3 -6.967 1.359 -10.864 26 HD22 LEU 3 HD22 LEU 3 -7.264 2.462 -12.206 27 HD23 LEU 3 HD23 LEU 3 -6.796 0.796 -12.526 28 H GLY 4 HN GLY 4 -12.747 0.463 -11.823 29 HA2 GLY 4 HA2 GLY 4 -13.694 3.158 -11.530 30 HA3 GLY 4 HA1 GLY 4 -14.225 1.751 -10.616 31 H SER 5 HN SER 5 -11.541 1.034 -9.822 32 HA SER 5 HA SER 5 -10.038 1.327 -8.167 33 HB2 SER 5 HB2 SER 5 -10.723 4.277 -8.254 34 HB3 SER 5 HB1 SER 5 -9.282 3.555 -7.546 35 HG SER 5 HG SER 5 -10.000 3.424 -10.295 36 H GLU 6 HN GLU 6 -9.889 1.863 -5.824 37 HA GLU 6 HA GLU 6 -12.476 1.468 -4.614 38 HB2 GLU 6 HB2 GLU 6 -9.695 1.484 -3.429 39 HB3 GLU 6 HB1 GLU 6 -11.167 1.185 -2.513 40 HG2 GLU 6 HG2 GLU 6 -10.169 -0.480 -4.815 41 HG3 GLU 6 HG1 GLU 6 -10.017 -0.882 -3.107 42 H SER 7 HN SER 7 -12.827 3.745 -5.557 43 HA SER 7 HA SER 7 -12.301 5.700 -3.456 44 HB2 SER 7 HB2 SER 7 -12.777 7.360 -5.336 45 HB3 SER 7 HB1 SER 7 -11.229 6.521 -5.393 46 HG SER 7 HG SER 7 -11.817 5.628 -7.206 47 H GLU 8 HN GLU 8 -14.434 6.763 -5.724 48 HA GLU 8 HA GLU 8 -16.666 7.198 -5.752 49 HB2 GLU 8 HB2 GLU 8 -16.705 4.375 -4.688 50 HB3 GLU 8 HB1 GLU 8 -18.154 5.247 -5.175 51 HG2 GLU 8 HG2 GLU 8 -17.316 5.439 -7.432 52 HG3 GLU 8 HG1 GLU 8 -15.811 4.654 -6.971 53 H THR 9 HN THR 9 -15.224 8.089 -3.451 54 HA THR 9 HA THR 9 -15.675 9.251 -1.554 55 HB THR 9 HB THR 9 -18.546 8.264 -1.630 56 HG1 THR 9 HG1 THR 9 -18.074 9.157 -3.660 57 HG21 THR 9 HG21 THR 9 -19.018 10.419 -0.558 58 HG22 THR 9 HG22 THR 9 -17.301 10.825 -0.597 59 HG23 THR 9 HG23 THR 9 -17.868 9.485 0.400 60 H GLY 10 HN GLY 10 -15.372 6.129 -1.842 61 HA2 GLY 10 HA2 GLY 10 -16.418 4.988 0.533 62 HA3 GLY 10 HA1 GLY 10 -15.160 4.305 -0.477 63 H ASN 11 HN ASN 11 -13.936 7.206 0.232 64 HA ASN 11 HA ASN 11 -12.071 6.302 2.162 65 HB2 ASN 11 HB2 ASN 11 -11.760 8.285 0.603 66 HB3 ASN 11 HB1 ASN 11 -12.861 9.189 1.630 67 HD21 ASN 11 HD21 ASN 11 -10.056 9.693 0.972 68 HD22 ASN 11 HD22 ASN 11 -9.210 9.762 2.480 69 H ALA 12 HN ALA 12 -15.089 8.033 2.346 70 HA ALA 12 HA ALA 12 -15.020 8.047 5.252 71 HB1 ALA 12 HB1 ALA 12 -15.834 10.069 4.127 72 HB2 ALA 12 HB2 ALA 12 -17.115 9.319 5.072 73 HB3 ALA 12 HB3 ALA 12 -17.085 9.124 3.321 74 H VAL 13 HN VAL 13 -16.089 6.538 6.424 75 HA VAL 13 HA VAL 13 -17.679 4.608 4.881 76 HB VAL 13 HB VAL 13 -17.060 2.887 6.407 77 HG11 VAL 13 HG11 VAL 13 -14.625 4.495 5.683 78 HG12 VAL 13 HG12 VAL 13 -15.450 3.299 4.680 79 HG13 VAL 13 HG13 VAL 13 -14.630 2.794 6.155 80 HG21 VAL 13 HG21 VAL 13 -17.123 4.038 8.498 81 HG22 VAL 13 HG22 VAL 13 -15.732 5.032 8.061 82 HG23 VAL 13 HG23 VAL 13 -15.535 3.298 8.314 83 H VAL 14 HN VAL 14 -19.481 3.645 5.927 84 HA VAL 14 HA VAL 14 -20.754 5.503 7.794 85 HB VAL 14 HB VAL 14 -21.974 3.257 6.173 86 HG11 VAL 14 HG11 VAL 14 -23.208 3.747 8.256 87 HG12 VAL 14 HG12 VAL 14 -24.131 4.211 6.826 88 HG13 VAL 14 HG13 VAL 14 -23.307 5.440 7.778 89 HG21 VAL 14 HG21 VAL 14 -22.025 6.244 5.718 90 HG22 VAL 14 HG22 VAL 14 -22.960 5.063 4.802 91 HG23 VAL 14 HG23 VAL 14 -21.199 5.045 4.722 92 H VAL 15 HN VAL 15 -20.671 4.984 9.835 93 HA VAL 15 HA VAL 15 -20.251 2.187 10.602 94 HB VAL 15 HB VAL 15 -19.974 4.680 12.284 95 HG11 VAL 15 HG11 VAL 15 -20.416 2.738 13.640 96 HG12 VAL 15 HG12 VAL 15 -18.725 3.208 13.822 97 HG13 VAL 15 HG13 VAL 15 -19.150 1.832 12.811 98 HG21 VAL 15 HG21 VAL 15 -18.301 4.797 10.575 99 HG22 VAL 15 HG22 VAL 15 -17.870 3.107 10.808 100 HG23 VAL 15 HG23 VAL 15 -17.513 4.285 12.069 101 H PHE 16 HN PHE 16 -21.933 1.094 11.343 102 HA PHE 16 HA PHE 16 -24.024 2.545 12.777 103 HB2 PHE 16 HB2 PHE 16 -25.763 1.206 11.638 104 HB3 PHE 16 HB1 PHE 16 -24.883 2.241 10.527 105 HD1 PHE 16 HD1 PHE 16 -25.467 -1.225 11.583 106 HD2 PHE 16 HD2 PHE 16 -23.505 1.315 8.784 107 HE1 PHE 16 HE1 PHE 16 -24.997 -3.168 10.145 108 HE2 PHE 16 HE2 PHE 16 -23.035 -0.623 7.351 109 HZ PHE 16 HZ PHE 16 -23.780 -2.864 8.028 110 H GLY 17 HN GLY 17 -25.328 1.170 14.152 111 HA2 GLY 17 HA2 GLY 17 -25.622 -1.065 15.121 112 HA3 GLY 17 HA1 GLY 17 -23.889 -1.284 14.949 113 H TYR 18 HN TYR 18 -24.310 1.838 15.837 114 HA TYR 18 HA TYR 18 -23.872 1.181 18.661 115 HB2 TYR 18 HB2 TYR 18 -22.711 3.289 18.859 116 HB3 TYR 18 HB1 TYR 18 -22.028 2.414 17.495 117 HD1 TYR 18 HD2 TYR 18 -22.679 3.191 15.153 118 HD2 TYR 18 HD1 TYR 18 -23.688 5.384 18.655 119 HE1 TYR 18 HE2 TYR 18 -23.107 5.178 13.783 120 HE2 TYR 18 HE1 TYR 18 -24.118 7.370 17.304 121 HH TYR 18 HH TYR 18 -24.528 7.301 14.015 122 H ARG 19 HN ARG 19 -24.589 3.048 20.128 123 HA ARG 19 HA ARG 19 -27.026 4.335 19.202 124 HB2 ARG 19 HB2 ARG 19 -28.298 3.606 21.165 125 HB3 ARG 19 HB1 ARG 19 -27.785 2.232 20.211 126 HG2 ARG 19 HG2 ARG 19 -25.937 1.848 21.811 127 HG3 ARG 19 HG1 ARG 19 -26.562 3.171 22.793 128 HD2 ARG 19 HD2 ARG 19 -28.677 2.008 23.074 129 HD3 ARG 19 HD1 ARG 19 -28.116 0.709 22.028 130 HE ARG 19 HE ARG 19 -26.551 1.230 24.423 131 HH11 ARG 19 HH11 ARG 19 -29.038 -0.723 22.865 132 HH12 ARG 19 HH12 ARG 19 -28.849 -2.058 23.940 133 HH21 ARG 19 HH21 ARG 19 -26.283 -0.574 25.850 134 HH22 ARG 19 HH22 ARG 19 -27.267 -1.977 25.639 135 H GLU 20 HN GLU 20 -27.754 6.021 20.729 136 HA GLU 20 HA GLU 20 -25.469 7.552 21.557 137 HB2 GLU 20 HB2 GLU 20 -27.571 8.466 20.453 138 HB3 GLU 20 HB1 GLU 20 -28.382 8.223 21.990 139 HG2 GLU 20 HG2 GLU 20 -26.863 9.786 23.065 140 HG3 GLU 20 HG1 GLU 20 -26.001 10.004 21.546 141 H ALA 21 HN ALA 21 -25.045 5.595 23.053 142 HA ALA 21 HA ALA 21 -25.528 6.516 25.740 143 HB1 ALA 21 HB1 ALA 21 -27.520 5.167 25.319 144 HB2 ALA 21 HB2 ALA 21 -26.506 4.448 26.569 145 HB3 ALA 21 HB3 ALA 21 -26.504 3.778 24.937 146 H ILE 22 HN ILE 22 -23.398 5.502 23.584 147 HA ILE 22 HA ILE 22 -21.717 4.157 25.588 148 HB ILE 22 HB ILE 22 -20.650 2.843 23.759 149 HG12 ILE 22 HG12 ILE 22 -23.112 3.535 22.144 150 HG13 ILE 22 HG11 ILE 22 -21.536 4.279 21.889 151 HG21 ILE 22 HG21 ILE 22 -22.135 1.741 25.255 152 HG22 ILE 22 HG22 ILE 22 -22.442 1.148 23.617 153 HG23 ILE 22 HG23 ILE 22 -23.542 2.312 24.355 154 HD11 ILE 22 HD11 ILE 22 -20.601 2.078 21.390 155 HD12 ILE 22 HD12 ILE 22 -21.912 2.511 20.299 156 HD13 ILE 22 HD13 ILE 22 -22.196 1.358 21.606 157 H THR 23 HN THR 23 -21.946 6.953 24.441 158 HA THR 23 HA THR 23 -19.832 7.452 22.674 159 HB THR 23 HB THR 23 -20.861 9.406 24.732 160 HG1 THR 23 HG1 THR 23 -22.112 9.828 22.518 161 HG21 THR 23 HG21 THR 23 -19.727 9.772 21.951 162 HG22 THR 23 HG22 THR 23 -18.848 10.057 23.455 163 HG23 THR 23 HG23 THR 23 -20.240 11.060 23.045 164 H LYS 24 HN LYS 24 -19.939 7.566 26.223 165 HA LYS 24 HA LYS 24 -17.388 8.574 26.665 166 HB2 LYS 24 HB2 LYS 24 -18.566 6.508 28.484 167 HB3 LYS 24 HB1 LYS 24 -17.677 7.959 28.888 168 HG2 LYS 24 HG2 LYS 24 -20.537 7.809 27.944 169 HG3 LYS 24 HG1 LYS 24 -19.977 8.164 29.571 170 HD2 LYS 24 HD2 LYS 24 -18.906 10.219 28.698 171 HD3 LYS 24 HD1 LYS 24 -19.574 9.884 27.107 172 HE2 LYS 24 HE2 LYS 24 -21.841 9.908 28.062 173 HE3 LYS 24 HE1 LYS 24 -21.167 10.292 29.639 174 HZ1 LYS 24 HZ1 LYS 24 -20.999 11.986 27.204 175 HZ2 LYS 24 HZ2 LYS 24 -20.317 12.375 28.715 176 HZ3 LYS 24 HZ3 LYS 24 -21.993 12.264 28.542 177 H GLN 25 HN GLN 25 -18.487 5.407 25.784 178 HA GLN 25 HA GLN 25 -15.999 4.106 26.517 179 HB2 GLN 25 HB2 GLN 25 -18.448 2.967 25.173 180 HB3 GLN 25 HB1 GLN 25 -17.097 2.054 25.829 181 HG2 GLN 25 HG2 GLN 25 -18.983 3.772 27.415 182 HG3 GLN 25 HG1 GLN 25 -19.046 2.014 27.292 183 HE21 GLN 25 HE21 GLN 25 -18.657 3.815 29.579 184 HE22 GLN 25 HE22 GLN 25 -17.191 3.294 30.324 185 H ILE 26 HN ILE 26 -17.955 4.039 23.495 186 HA ILE 26 HA ILE 26 -15.850 2.958 21.993 187 HB ILE 26 HB ILE 26 -18.319 2.727 21.495 188 HG12 ILE 26 HG12 ILE 26 -16.616 3.657 19.183 189 HG13 ILE 26 HG11 ILE 26 -16.486 2.095 19.978 190 HG21 ILE 26 HG21 ILE 26 -17.945 5.456 20.266 191 HG22 ILE 26 HG22 ILE 26 -18.979 5.078 21.650 192 HG23 ILE 26 HG23 ILE 26 -19.359 4.424 20.057 193 HD11 ILE 26 HD11 ILE 26 -18.909 3.138 18.541 194 HD12 ILE 26 HD12 ILE 26 -18.745 1.549 19.295 195 HD13 ILE 26 HD13 ILE 26 -17.752 1.970 17.902 196 H LEU 27 HN LEU 27 -16.978 6.302 22.339 197 HA LEU 27 HA LEU 27 -15.437 7.295 20.199 198 HB2 LEU 27 HB2 LEU 27 -17.453 8.407 21.175 199 HB3 LEU 27 HB1 LEU 27 -16.479 8.851 22.563 200 HG LEU 27 HG LEU 27 -15.587 9.713 19.838 201 HD11 LEU 27 HD11 LEU 27 -16.954 11.743 20.051 202 HD12 LEU 27 HD12 LEU 27 -17.736 11.062 21.471 203 HD13 LEU 27 HD13 LEU 27 -17.950 10.299 19.901 204 HD21 LEU 27 HD21 LEU 27 -15.491 11.058 22.533 205 HD22 LEU 27 HD22 LEU 27 -14.672 11.580 21.056 206 HD23 LEU 27 HD23 LEU 27 -14.187 10.082 21.857 207 H ALA 28 HN ALA 28 -14.760 6.791 23.597 208 HA ALA 28 HA ALA 28 -12.461 8.340 23.861 209 HB1 ALA 28 HB1 ALA 28 -13.652 7.140 25.697 210 HB2 ALA 28 HB2 ALA 28 -11.899 6.986 25.740 211 HB3 ALA 28 HB3 ALA 28 -12.886 5.652 25.144 212 H TYR 29 HN TYR 29 -12.919 5.218 22.367 213 HA TYR 29 HA TYR 29 -10.067 4.808 21.996 214 HB2 TYR 29 HB2 TYR 29 -11.374 2.864 22.615 215 HB3 TYR 29 HB1 TYR 29 -12.470 3.124 21.263 216 HD1 TYR 29 HD1 TYR 29 -9.043 2.102 22.178 217 HD2 TYR 29 HD2 TYR 29 -11.952 2.329 19.096 218 HE1 TYR 29 HE1 TYR 29 -7.654 0.629 20.766 219 HE2 TYR 29 HE2 TYR 29 -10.595 0.873 17.678 220 HH TYR 29 HH TYR 29 -8.181 0.221 17.463 221 H PHE 30 HN PHE 30 -12.950 5.484 20.037 222 HA PHE 30 HA PHE 30 -11.400 5.319 17.606 223 HB2 PHE 30 HB2 PHE 30 -14.316 5.720 18.127 224 HB3 PHE 30 HB1 PHE 30 -13.634 5.960 16.522 225 HD1 PHE 30 HD1 PHE 30 -14.403 3.503 19.127 226 HD2 PHE 30 HD2 PHE 30 -12.820 4.094 15.223 227 HE1 PHE 30 HE1 PHE 30 -14.553 1.075 18.699 228 HE2 PHE 30 HE2 PHE 30 -12.966 1.687 14.785 229 HZ PHE 30 HZ PHE 30 -13.827 0.169 16.520 230 H ALA 31 HN ALA 31 -11.932 7.786 19.780 231 HA ALA 31 HA ALA 31 -12.301 10.049 18.178 232 HB1 ALA 31 HB1 ALA 31 -10.655 9.805 20.696 233 HB2 ALA 31 HB2 ALA 31 -12.379 10.156 20.615 234 HB3 ALA 31 HB3 ALA 31 -11.211 11.318 19.984 235 H GLN 32 HN GLN 32 -9.555 8.019 18.579 236 HA GLN 32 HA GLN 32 -7.468 9.639 17.671 237 HB2 GLN 32 HB2 GLN 32 -7.242 7.340 18.629 238 HB3 GLN 32 HB1 GLN 32 -7.906 6.687 17.134 239 HG2 GLN 32 HG2 GLN 32 -5.550 6.430 17.004 240 HG3 GLN 32 HG1 GLN 32 -5.974 7.758 15.931 241 HE21 GLN 32 HE21 GLN 32 -3.988 8.725 16.000 242 HE22 GLN 32 HE22 GLN 32 -3.374 9.511 17.409 243 H PHE 33 HN PHE 33 -9.988 7.858 16.015 244 HA PHE 33 HA PHE 33 -8.948 8.557 13.375 245 HB2 PHE 33 HB2 PHE 33 -11.293 6.810 14.164 246 HB3 PHE 33 HB1 PHE 33 -10.667 7.028 12.536 247 HD1 PHE 33 HD2 PHE 33 -8.426 6.120 11.952 248 HD2 PHE 33 HD1 PHE 33 -10.293 5.314 15.690 249 HE1 PHE 33 HE2 PHE 33 -6.897 4.226 12.301 250 HE2 PHE 33 HE1 PHE 33 -8.770 3.415 16.052 251 HZ PHE 33 HZ PHE 33 -7.071 2.869 14.361 252 H GLY 34 HN GLY 34 -11.985 8.834 15.256 253 HA2 GLY 34 HA2 GLY 34 -12.547 11.466 14.541 254 HA3 GLY 34 HA1 GLY 34 -13.355 10.436 13.369 255 H GLU 35 HN GLU 35 -14.497 12.230 15.395 256 HA GLU 35 HA GLU 35 -15.571 10.716 17.548 257 HB2 GLU 35 HB2 GLU 35 -16.656 13.269 16.360 258 HB3 GLU 35 HB1 GLU 35 -16.984 12.628 17.967 259 HG2 GLU 35 HG2 GLU 35 -15.411 14.128 18.533 260 HG3 GLU 35 HG1 GLU 35 -14.337 12.790 18.130 261 H ILE 36 HN ILE 36 -17.440 9.646 17.772 262 HA ILE 36 HA ILE 36 -18.888 9.043 15.317 263 HB ILE 36 HB ILE 36 -18.978 7.638 18.008 264 HG12 ILE 36 HG12 ILE 36 -18.008 5.741 16.593 265 HG13 ILE 36 HG11 ILE 36 -17.662 6.975 15.381 266 HG21 ILE 36 HG21 ILE 36 -20.330 6.862 15.431 267 HG22 ILE 36 HG22 ILE 36 -21.133 7.473 16.880 268 HG23 ILE 36 HG23 ILE 36 -20.301 5.918 16.919 269 HD11 ILE 36 HD11 ILE 36 -15.710 6.514 16.727 270 HD12 ILE 36 HD12 ILE 36 -16.610 6.889 18.196 271 HD13 ILE 36 HD13 ILE 36 -16.285 8.155 17.011 272 H LEU 37 HN LEU 37 -19.518 10.363 18.549 273 HA LEU 37 HA LEU 37 -22.262 10.917 17.653 274 HB2 LEU 37 HB2 LEU 37 -21.421 10.337 20.480 275 HB3 LEU 37 HB1 LEU 37 -23.047 10.691 19.936 276 HG LEU 37 HG LEU 37 -22.567 8.534 18.423 277 HD11 LEU 37 HD11 LEU 37 -21.362 6.853 19.704 278 HD12 LEU 37 HD12 LEU 37 -20.941 8.072 20.912 279 HD13 LEU 37 HD13 LEU 37 -20.316 8.207 19.273 280 HD21 LEU 37 HD21 LEU 37 -23.724 7.214 20.155 281 HD22 LEU 37 HD22 LEU 37 -24.477 8.784 19.864 282 HD23 LEU 37 HD23 LEU 37 -23.475 8.538 21.295 283 H GLU 38 HN GLU 38 -23.345 12.672 18.915 284 HA GLU 38 HA GLU 38 -21.871 15.095 18.766 285 HB2 GLU 38 HB2 GLU 38 -24.553 14.524 20.042 286 HB3 GLU 38 HB1 GLU 38 -23.926 16.122 19.657 287 HG2 GLU 38 HG2 GLU 38 -24.545 13.959 17.656 288 HG3 GLU 38 HG1 GLU 38 -25.588 15.325 18.042 289 H ASP 39 HN ASP 39 -22.708 12.913 21.360 290 HA ASP 39 HA ASP 39 -22.193 14.598 23.576 291 HB2 ASP 39 HB2 ASP 39 -23.504 12.545 23.770 292 HB3 ASP 39 HB1 ASP 39 -22.098 11.586 23.336 293 H LEU 40 HN LEU 40 -20.344 14.763 24.939 294 HA LEU 40 HA LEU 40 -17.908 13.472 24.213 295 HB2 LEU 40 HB2 LEU 40 -18.257 15.503 22.639 296 HB3 LEU 40 HB1 LEU 40 -17.957 16.476 24.061 297 HG LEU 40 HG LEU 40 -16.007 16.128 22.521 298 HD11 LEU 40 HD11 LEU 40 -15.650 16.903 24.798 299 HD12 LEU 40 HD12 LEU 40 -14.374 15.776 24.333 300 HD13 LEU 40 HD13 LEU 40 -15.690 15.239 25.380 301 HD21 LEU 40 HD21 LEU 40 -14.809 14.025 22.629 302 HD22 LEU 40 HD22 LEU 40 -16.444 13.760 22.036 303 HD23 LEU 40 HD23 LEU 40 -16.034 13.359 23.705 304 H GLU 41 HN GLU 41 -17.252 12.928 26.168 305 HA GLU 41 HA GLU 41 -17.731 14.730 28.417 306 HB2 GLU 41 HB2 GLU 41 -18.449 12.412 28.720 307 HB3 GLU 41 HB1 GLU 41 -16.801 11.859 28.465 308 HG2 GLU 41 HG2 GLU 41 -16.073 12.917 30.494 309 HG3 GLU 41 HG1 GLU 41 -17.648 13.692 30.694 310 H SER 42 HN SER 42 -14.977 12.487 28.010 311 HA SER 42 HA SER 42 -13.252 14.727 28.783 312 HB2 SER 42 HB2 SER 42 -12.587 11.779 28.882 313 HB3 SER 42 HB1 SER 42 -11.673 13.096 29.606 314 HG SER 42 HG SER 42 -14.012 13.400 30.597 315 H GLU 43 HN GLU 43 -12.967 11.787 26.779 316 HA GLU 43 HA GLU 43 -12.085 11.373 24.789 317 HB2 GLU 43 HB2 GLU 43 -13.547 13.053 23.943 318 HB3 GLU 43 HB1 GLU 43 -12.419 14.339 24.374 319 HG2 GLU 43 HG2 GLU 43 -10.825 13.401 22.761 320 HG3 GLU 43 HG1 GLU 43 -12.020 12.175 22.334 321 H LEU 44 HN LEU 44 -10.135 10.596 25.224 322 HA LEU 44 HA LEU 44 -7.909 10.394 25.358 323 HB2 LEU 44 HB2 LEU 44 -7.820 12.877 23.671 324 HB3 LEU 44 HB1 LEU 44 -6.728 11.506 23.698 325 HG LEU 44 HG LEU 44 -9.523 11.524 22.589 326 HD11 LEU 44 HD11 LEU 44 -7.827 12.663 21.226 327 HD12 LEU 44 HD12 LEU 44 -8.474 11.217 20.458 328 HD13 LEU 44 HD13 LEU 44 -6.877 11.178 21.203 329 HD21 LEU 44 HD21 LEU 44 -9.113 9.384 23.580 330 HD22 LEU 44 HD22 LEU 44 -7.522 9.291 22.824 331 HD23 LEU 44 HD23 LEU 44 -8.975 9.235 21.829 332 H GLY 45 HN GLY 45 -6.234 12.951 24.926 333 HA2 GLY 45 HA2 GLY 45 -6.605 14.054 27.619 334 HA3 GLY 45 HA1 GLY 45 -5.005 13.632 27.018 335 H ASP 46 HN ASP 46 -4.227 14.790 25.074 336 HA ASP 46 HA ASP 46 -4.662 17.599 25.258 337 HB2 ASP 46 HB2 ASP 46 -3.157 17.804 23.349 338 HB3 ASP 46 HB1 ASP 46 -2.522 16.596 24.453 339 H THR 47 HN THR 47 -5.730 15.101 23.071 340 HA THR 47 HA THR 47 -6.991 15.050 21.244 341 HB THR 47 HB THR 47 -8.639 14.983 23.131 342 HG1 THR 47 HG1 THR 47 -10.473 15.544 21.666 343 HG21 THR 47 HG21 THR 47 -10.160 16.935 23.413 344 HG22 THR 47 HG22 THR 47 -9.087 17.888 22.389 345 HG23 THR 47 HG23 THR 47 -8.514 17.277 23.940 346 H GLU 48 HN GLU 48 -5.117 17.205 21.109 347 HA GLU 48 HA GLU 48 -6.599 18.930 19.268 348 HB2 GLU 48 HB2 GLU 48 -4.033 19.441 20.761 349 HB3 GLU 48 HB1 GLU 48 -4.671 20.481 19.505 350 HG2 GLU 48 HG2 GLU 48 -6.668 20.891 20.853 351 HG3 GLU 48 HG1 GLU 48 -6.020 19.852 22.120 352 H THR 49 HN THR 49 -4.020 16.665 19.696 353 HA THR 49 HA THR 49 -3.464 16.865 16.819 354 HB THR 49 HB THR 49 -1.612 18.017 17.834 355 HG1 THR 49 HG1 THR 49 -0.526 16.949 16.360 356 HG21 THR 49 HG21 THR 49 -0.166 16.980 19.524 357 HG22 THR 49 HG22 THR 49 -1.219 15.561 19.548 358 HG23 THR 49 HG23 THR 49 -1.829 17.118 20.107 359 H MET 50 HN MET 50 -3.658 14.890 19.706 360 HA MET 50 HA MET 50 -2.887 12.485 18.291 361 HB2 MET 50 HB2 MET 50 -2.324 12.897 20.691 362 HB3 MET 50 HB1 MET 50 -4.034 12.785 21.075 363 HG2 MET 50 HG2 MET 50 -2.931 10.714 21.607 364 HG3 MET 50 HG1 MET 50 -4.046 10.468 20.262 365 HE1 MET 50 HE1 MET 50 -1.889 8.358 21.039 366 HE2 MET 50 HE2 MET 50 -1.181 7.937 19.478 367 HE3 MET 50 HE3 MET 50 -2.924 8.166 19.622 368 H ARG 51 HN ARG 51 -5.221 13.980 17.359 369 HA ARG 51 HA ARG 51 -7.103 11.790 17.250 370 HB2 ARG 51 HB2 ARG 51 -9.001 13.266 17.835 371 HB3 ARG 51 HB1 ARG 51 -7.928 12.922 19.187 372 HG2 ARG 51 HG2 ARG 51 -7.817 15.102 19.546 373 HG3 ARG 51 HG1 ARG 51 -6.907 15.242 18.037 374 HD2 ARG 51 HD2 ARG 51 -8.698 16.747 17.902 375 HD3 ARG 51 HD1 ARG 51 -9.106 15.402 16.858 376 HE ARG 51 HE ARG 51 -10.122 15.277 19.572 377 HH11 ARG 51 HH11 ARG 51 -10.777 16.255 16.269 378 HH12 ARG 51 HH12 ARG 51 -12.493 16.000 16.422 379 HH21 ARG 51 HH21 ARG 51 -12.403 15.003 19.761 380 HH22 ARG 51 HH22 ARG 51 -13.374 15.310 18.347 381 H THR 52 HN THR 52 -8.146 11.701 15.344 382 HA THR 52 HA THR 52 -8.735 12.096 13.186 383 HB THR 52 HB THR 52 -9.728 14.251 12.647 384 HG1 THR 52 HG1 THR 52 -8.124 15.121 14.775 385 HG21 THR 52 HG21 THR 52 -10.249 13.567 15.544 386 HG22 THR 52 HG22 THR 52 -10.971 12.759 14.154 387 HG23 THR 52 HG23 THR 52 -11.336 14.453 14.472 388 HA PRO 53 HA PRO 53 -5.375 13.512 10.622 389 HB2 PRO 53 HB2 PRO 53 -7.173 15.141 8.925 390 HB3 PRO 53 HB1 PRO 53 -6.168 13.760 8.473 391 HG2 PRO 53 HG2 PRO 53 -8.814 13.529 8.630 392 HG3 PRO 53 HG1 PRO 53 -7.747 12.214 9.174 393 HD2 PRO 53 HD2 PRO 53 -9.185 14.287 10.792 394 HD3 PRO 53 HD1 PRO 53 -9.034 12.538 11.093 395 H GLY 54 HN GLY 54 -7.465 15.812 11.964 396 HA2 GLY 54 HA2 GLY 54 -5.788 17.577 13.045 397 HA3 GLY 54 HA1 GLY 54 -5.719 18.068 11.365 398 H TYR 55 HN TYR 55 -8.341 17.144 13.621 399 HA TYR 55 HA TYR 55 -9.653 19.672 12.971 400 HB2 TYR 55 HB2 TYR 55 -10.951 16.955 13.267 401 HB3 TYR 55 HB1 TYR 55 -11.827 18.478 13.163 402 HD1 TYR 55 HD2 TYR 55 -11.808 19.771 11.045 403 HD2 TYR 55 HD1 TYR 55 -10.072 15.903 11.338 404 HE1 TYR 55 HE2 TYR 55 -11.836 19.587 8.595 405 HE2 TYR 55 HE1 TYR 55 -10.089 15.695 8.890 406 HH TYR 55 HH TYR 55 -10.541 18.277 6.824 407 H PHE 56 HN PHE 56 -10.320 20.765 14.682 408 HA PHE 56 HA PHE 56 -9.727 19.793 17.321 409 HB2 PHE 56 HB2 PHE 56 -10.835 22.406 16.301 410 HB3 PHE 56 HB1 PHE 56 -10.680 22.053 18.023 411 HD1 PHE 56 HD1 PHE 56 -8.848 22.693 14.904 412 HD2 PHE 56 HD2 PHE 56 -8.526 21.964 19.082 413 HE1 PHE 56 HE1 PHE 56 -6.496 23.409 14.841 414 HE2 PHE 56 HE2 PHE 56 -6.164 22.684 19.022 415 HZ PHE 56 HZ PHE 56 -5.154 23.400 16.902 416 H PHE 57 HN PHE 57 -11.154 19.375 18.972 417 HA PHE 57 HA PHE 57 -13.434 17.959 18.226 418 HB2 PHE 57 HB2 PHE 57 -13.833 17.704 20.671 419 HB3 PHE 57 HB1 PHE 57 -12.182 17.359 20.219 420 HD1 PHE 57 HD2 PHE 57 -10.451 19.075 20.659 421 HD2 PHE 57 HD1 PHE 57 -14.373 19.267 22.238 422 HE1 PHE 57 HE2 PHE 57 -9.689 20.628 22.371 423 HE2 PHE 57 HE1 PHE 57 -13.619 20.816 23.951 424 HZ PHE 57 HZ PHE 57 -11.262 21.519 24.042 425 H GLN 58 HN GLN 58 -13.261 21.082 19.929 426 HA GLN 58 HA GLN 58 -14.786 22.738 20.288 427 HB2 GLN 58 HB2 GLN 58 -14.775 22.733 17.777 428 HB3 GLN 58 HB1 GLN 58 -16.150 21.642 17.810 429 HG2 GLN 58 HG2 GLN 58 -17.495 23.357 18.887 430 HG3 GLN 58 HG1 GLN 58 -16.109 24.441 18.910 431 HE21 GLN 58 HE21 GLN 58 -17.093 25.997 17.677 432 HE22 GLN 58 HE22 GLN 58 -17.436 25.789 15.993 433 H GLN 59 HN GLN 59 -17.298 23.127 20.641 434 HA GLN 59 HA GLN 59 -18.599 20.645 21.472 435 HB2 GLN 59 HB2 GLN 59 -17.550 21.729 23.439 436 HB3 GLN 59 HB1 GLN 59 -18.533 23.156 23.126 437 HG2 GLN 59 HG2 GLN 59 -20.543 21.905 23.518 438 HG3 GLN 59 HG1 GLN 59 -19.622 20.421 23.715 439 HE21 GLN 59 HE21 GLN 59 -21.413 21.586 25.587 440 HE22 GLN 59 HE22 GLN 59 -20.505 21.955 27.016 441 H ALA 60 HN ALA 60 -19.421 23.991 21.706 442 HA ALA 60 HA ALA 60 -21.358 25.124 21.203 443 HB1 ALA 60 HB1 ALA 60 -20.049 25.208 19.108 444 HB2 ALA 60 HB2 ALA 60 -21.785 25.316 18.843 445 HB3 ALA 60 HB3 ALA 60 -20.941 23.800 18.527 446 HA PRO 61 HA PRO 61 -24.266 21.635 22.099 447 HB2 PRO 61 HB2 PRO 61 -25.637 23.925 23.410 448 HB3 PRO 61 HB1 PRO 61 -25.306 22.303 24.031 449 HG2 PRO 61 HG2 PRO 61 -23.897 24.391 24.887 450 HG3 PRO 61 HG1 PRO 61 -23.123 22.819 24.599 451 HD2 PRO 61 HD2 PRO 61 -23.068 25.294 22.908 452 HD3 PRO 61 HD1 PRO 61 -21.775 24.127 23.254 453 H ASN 62 HN ASN 62 -24.804 24.850 20.823 454 HA ASN 62 HA ASN 62 -27.475 24.281 19.906 455 HB2 ASN 62 HB2 ASN 62 -27.408 26.524 18.912 456 HB3 ASN 62 HB1 ASN 62 -26.875 26.563 20.585 457 HD21 ASN 62 HD21 ASN 62 -26.374 28.412 18.392 458 HD22 ASN 62 HD22 ASN 62 -24.656 28.537 18.249 459 H ARG 63 HN ARG 63 -24.441 23.470 18.777 460 HA ARG 63 HA ARG 63 -25.552 22.997 16.120 461 HB2 ARG 63 HB2 ARG 63 -22.871 24.235 16.692 462 HB3 ARG 63 HB1 ARG 63 -23.267 23.487 15.148 463 HG2 ARG 63 HG2 ARG 63 -24.705 25.800 16.402 464 HG3 ARG 63 HG1 ARG 63 -23.549 25.884 15.067 465 HD2 ARG 63 HD2 ARG 63 -25.028 24.366 13.774 466 HD3 ARG 63 HD1 ARG 63 -26.205 24.446 15.075 467 HE ARG 63 HE ARG 63 -25.358 26.760 13.436 468 HH11 ARG 63 HH11 ARG 63 -27.801 25.123 15.380 469 HH12 ARG 63 HH12 ARG 63 -29.024 26.301 15.056 470 HH21 ARG 63 HH21 ARG 63 -26.963 28.332 13.034 471 HH22 ARG 63 HH22 ARG 63 -28.546 28.138 13.703 472 H ARG 64 HN ARG 64 -23.795 21.613 14.863 473 HA ARG 64 HA ARG 64 -23.619 19.246 16.521 474 HB2 ARG 64 HB2 ARG 64 -23.157 19.533 13.555 475 HB3 ARG 64 HB1 ARG 64 -23.363 18.045 14.447 476 HG2 ARG 64 HG2 ARG 64 -25.472 20.160 14.032 477 HG3 ARG 64 HG1 ARG 64 -25.390 18.610 13.205 478 HD2 ARG 64 HD2 ARG 64 -26.977 18.266 14.894 479 HD3 ARG 64 HD1 ARG 64 -25.499 17.571 15.547 480 HE ARG 64 HE ARG 64 -25.938 20.334 16.295 481 HH11 ARG 64 HH11 ARG 64 -26.630 16.995 17.100 482 HH12 ARG 64 HH12 ARG 64 -26.845 17.279 18.793 483 HH21 ARG 64 HH21 ARG 64 -26.222 20.729 18.588 484 HH22 ARG 64 HH22 ARG 64 -26.617 19.413 19.637 485 H ARG 65 HN ARG 65 -21.800 18.977 17.568 486 HA ARG 65 HA ARG 65 -19.402 20.318 16.928 487 HB2 ARG 65 HB2 ARG 65 -18.375 18.847 18.708 488 HB3 ARG 65 HB1 ARG 65 -19.753 19.808 19.211 489 HG2 ARG 65 HG2 ARG 65 -20.243 17.810 20.196 490 HG3 ARG 65 HG1 ARG 65 -21.086 17.621 18.657 491 HD2 ARG 65 HD2 ARG 65 -19.894 15.621 19.126 492 HD3 ARG 65 HD1 ARG 65 -19.099 16.444 17.782 493 HE ARG 65 HE ARG 65 -18.110 16.488 20.566 494 HH11 ARG 65 HH11 ARG 65 -17.513 16.529 17.108 495 HH12 ARG 65 HH12 ARG 65 -15.802 16.309 17.257 496 HH21 ARG 65 HH21 ARG 65 -15.813 16.213 20.771 497 HH22 ARG 65 HH22 ARG 65 -14.845 16.136 19.350 498 H ILE 66 HN ILE 66 -20.591 17.138 16.091 499 HA ILE 66 HA ILE 66 -18.134 16.117 15.096 500 HB ILE 66 HB ILE 66 -19.806 14.492 15.488 501 HG12 ILE 66 HG12 ILE 66 -19.966 14.711 12.523 502 HG13 ILE 66 HG11 ILE 66 -18.421 14.431 13.268 503 HG21 ILE 66 HG21 ILE 66 -21.977 14.478 14.285 504 HG22 ILE 66 HG22 ILE 66 -21.590 16.085 13.658 505 HG23 ILE 66 HG23 ILE 66 -21.796 15.839 15.388 506 HD11 ILE 66 HD11 ILE 66 -19.403 12.379 14.318 507 HD12 ILE 66 HD12 ILE 66 -19.355 12.345 12.557 508 HD13 ILE 66 HD13 ILE 66 -20.874 12.682 13.389 509 H SER 67 HN SER 67 -20.696 17.981 13.667 510 HA SER 67 HA SER 67 -20.894 19.170 11.821 511 HB2 SER 67 HB2 SER 67 -18.621 20.008 12.496 512 HB3 SER 67 HB1 SER 67 -17.942 18.798 11.417 513 HG SER 67 HG SER 67 -19.861 20.376 10.242 514 H ARG 68 HN ARG 68 -21.153 16.310 11.760 515 HA ARG 68 HA ARG 68 -20.921 15.965 8.872 516 HB2 ARG 68 HB2 ARG 68 -19.093 14.731 10.125 517 HB3 ARG 68 HB1 ARG 68 -20.359 13.761 10.854 518 HG2 ARG 68 HG2 ARG 68 -19.329 12.603 8.998 519 HG3 ARG 68 HG1 ARG 68 -21.028 12.948 8.668 520 HD2 ARG 68 HD2 ARG 68 -19.567 13.381 6.739 521 HD3 ARG 68 HD1 ARG 68 -20.410 14.828 7.291 522 HE ARG 68 HE ARG 68 -17.700 14.395 8.268 523 HH11 ARG 68 HH11 ARG 68 -19.841 16.108 6.102 524 HH12 ARG 68 HH12 ARG 68 -18.692 17.342 5.724 525 HH21 ARG 68 HH21 ARG 68 -16.155 16.066 7.767 526 HH22 ARG 68 HH22 ARG 68 -16.612 17.329 6.676 527 H GLU 69 HN GLU 69 -22.716 14.989 7.942 528 HA GLU 69 HA GLU 69 -25.084 14.944 9.550 529 HB2 GLU 69 HB2 GLU 69 -25.028 15.672 7.153 530 HB3 GLU 69 HB1 GLU 69 -24.728 14.001 6.693 531 HG2 GLU 69 HG2 GLU 69 -27.057 14.520 6.383 532 HG3 GLU 69 HG1 GLU 69 -26.880 13.352 7.693 533 H HIS 70 HN HIS 70 -26.212 13.227 10.300 534 HA HIS 70 HA HIS 70 -25.368 10.527 9.686 535 HB2 HIS 70 HB2 HIS 70 -25.033 9.942 12.105 536 HB3 HIS 70 HB1 HIS 70 -23.784 10.984 11.434 537 HD2 HIS 70 HD2 HIS 70 -23.668 13.559 12.547 538 HE1 HIS 70 HE1 HIS 70 -26.498 12.825 15.606 539 HE2 HIS 70 HE2 HIS 70 -24.702 14.377 14.771 540 H GLY 71 HN GLY 71 -26.681 8.923 11.051 541 HA2 GLY 71 HA2 GLY 71 -29.460 9.897 11.083 542 HA3 GLY 71 HA1 GLY 71 -28.976 8.234 10.757 543 H ARG 72 HN ARG 72 -30.477 7.597 12.410 544 HA ARG 72 HA ARG 72 -30.237 8.501 15.105 545 HB2 ARG 72 HB2 ARG 72 -32.299 7.490 14.137 546 HB3 ARG 72 HB1 ARG 72 -31.471 5.940 14.110 547 HG2 ARG 72 HG2 ARG 72 -31.211 6.085 16.580 548 HG3 ARG 72 HG1 ARG 72 -32.177 7.557 16.552 549 HD2 ARG 72 HD2 ARG 72 -33.641 5.768 17.107 550 HD3 ARG 72 HD1 ARG 72 -33.994 6.238 15.444 551 HE ARG 72 HE ARG 72 -32.466 3.849 16.242 552 HH11 ARG 72 HH11 ARG 72 -34.495 5.526 13.911 553 HH12 ARG 72 HH12 ARG 72 -34.662 4.141 12.874 554 HH21 ARG 72 HH21 ARG 72 -32.722 2.019 14.884 555 HH22 ARG 72 HH22 ARG 72 -33.689 2.145 13.442 556 H THR 73 HN THR 73 -29.059 5.635 13.431 557 HA THR 73 HA THR 73 -27.400 5.103 15.778 558 HB THR 73 HB THR 73 -27.730 2.684 15.264 559 HG1 THR 73 HG1 THR 73 -29.735 2.265 14.049 560 HG21 THR 73 HG21 THR 73 -29.985 2.577 16.319 561 HG22 THR 73 HG22 THR 73 -30.134 4.318 16.047 562 HG23 THR 73 HG23 THR 73 -28.885 3.697 17.135 563 H TRP 74 HN TRP 74 -27.034 6.264 12.909 564 HA TRP 74 HA TRP 74 -24.588 4.765 12.363 565 HB2 TRP 74 HB2 TRP 74 -25.081 4.816 9.916 566 HB3 TRP 74 HB1 TRP 74 -26.147 3.764 10.836 567 HD1 TRP 74 HD1 TRP 74 -28.725 4.547 11.093 568 HE1 TRP 74 HE1 TRP 74 -30.176 6.113 9.663 569 HE3 TRP 74 HE3 TRP 74 -25.023 6.935 8.480 570 HZ2 TRP 74 HZ2 TRP 74 -29.814 8.088 7.693 571 HZ3 TRP 74 HZ3 TRP 74 -25.677 8.656 6.835 572 HH2 TRP 74 HH2 TRP 74 -28.025 9.216 6.454 573 H THR 75 HN THR 75 -22.929 5.959 11.577 574 HA THR 75 HA THR 75 -23.439 8.708 10.733 575 HB THR 75 HB THR 75 -22.892 8.762 13.216 576 HG1 THR 75 HG1 THR 75 -21.199 10.405 12.880 577 HG21 THR 75 HG21 THR 75 -20.547 8.473 13.880 578 HG22 THR 75 HG22 THR 75 -20.155 7.905 12.264 579 HG23 THR 75 HG23 THR 75 -21.227 6.955 13.294 580 H LYS 76 HN LYS 76 -21.853 9.552 9.361 581 HA LYS 76 HA LYS 76 -20.131 7.480 8.233 582 HB2 LYS 76 HB2 LYS 76 -21.667 8.499 6.642 583 HB3 LYS 76 HB1 LYS 76 -21.078 10.098 7.040 584 HG2 LYS 76 HG2 LYS 76 -18.893 9.531 6.128 585 HG3 LYS 76 HG1 LYS 76 -19.470 7.905 5.740 586 HD2 LYS 76 HD2 LYS 76 -19.574 9.234 3.746 587 HD3 LYS 76 HD1 LYS 76 -21.223 8.955 4.308 588 HE2 LYS 76 HE2 LYS 76 -20.955 11.253 3.602 589 HE3 LYS 76 HE1 LYS 76 -21.234 11.170 5.340 590 HZ1 LYS 76 HZ1 LYS 76 -18.848 11.434 5.690 591 HZ2 LYS 76 HZ2 LYS 76 -19.478 12.730 4.806 592 HZ3 LYS 76 HZ3 LYS 76 -18.603 11.524 4.021 593 H LEU 77 HN LEU 77 -18.049 7.525 8.705 594 HA LEU 77 HA LEU 77 -16.940 10.000 9.812 595 HB2 LEU 77 HB2 LEU 77 -15.910 7.176 10.025 596 HB3 LEU 77 HB1 LEU 77 -15.195 8.585 10.782 597 HG LEU 77 HG LEU 77 -17.864 7.337 11.436 598 HD11 LEU 77 HD11 LEU 77 -15.913 6.150 12.313 599 HD12 LEU 77 HD12 LEU 77 -16.851 6.905 13.599 600 HD13 LEU 77 HD13 LEU 77 -15.349 7.645 13.058 601 HD21 LEU 77 HD21 LEU 77 -18.091 9.719 11.596 602 HD22 LEU 77 HD22 LEU 77 -16.583 9.852 12.494 603 HD23 LEU 77 HD23 LEU 77 -17.979 9.053 13.222 604 H THR 78 HN THR 78 -15.413 11.060 8.826 605 HA THR 78 HA THR 78 -14.255 9.929 6.388 606 HB THR 78 HB THR 78 -14.409 12.803 7.345 607 HG1 THR 78 HG1 THR 78 -15.868 12.869 5.433 608 HG21 THR 78 HG21 THR 78 -12.454 12.334 5.899 609 HG22 THR 78 HG22 THR 78 -13.621 13.382 5.092 610 HG23 THR 78 HG23 THR 78 -13.537 11.669 4.678 611 H TYR 79 HN TYR 79 -12.315 9.017 6.779 612 HA TYR 79 HA TYR 79 -10.715 9.902 9.043 613 HB2 TYR 79 HB2 TYR 79 -10.138 7.702 7.048 614 HB3 TYR 79 HB1 TYR 79 -9.361 7.942 8.615 615 HD1 TYR 79 HD2 TYR 79 -10.803 7.744 10.692 616 HD2 TYR 79 HD1 TYR 79 -12.085 6.429 6.867 617 HE1 TYR 79 HE2 TYR 79 -12.528 6.347 11.759 618 HE2 TYR 79 HE1 TYR 79 -13.816 5.032 7.913 619 HH TYR 79 HH TYR 79 -14.254 3.953 10.071 620 H ALA 80 HN ALA 80 -10.902 10.387 5.688 621 HA ALA 80 HA ALA 80 -9.779 11.690 4.237 622 HB1 ALA 80 HB1 ALA 80 -8.152 12.650 6.592 623 HB2 ALA 80 HB2 ALA 80 -9.697 13.328 6.087 624 HB3 ALA 80 HB3 ALA 80 -8.295 13.437 5.020 625 H ASN 81 HN ASN 81 -7.341 10.503 6.544 626 HA ASN 81 HA ASN 81 -5.513 9.935 4.377 627 HB2 ASN 81 HB2 ASN 81 -5.309 9.411 7.354 628 HB3 ASN 81 HB1 ASN 81 -4.028 9.063 6.210 629 HD21 ASN 81 HD21 ASN 81 -2.944 10.810 5.201 630 HD22 ASN 81 HD22 ASN 81 -3.001 12.403 5.875 631 H HIS 82 HN HIS 82 -4.943 7.952 3.618 632 HA HIS 82 HA HIS 82 -6.914 5.874 3.913 633 HB2 HIS 82 HB2 HIS 82 -5.880 6.481 1.718 634 HB3 HIS 82 HB1 HIS 82 -4.349 5.844 2.303 635 HD2 HIS 82 HD2 HIS 82 -4.013 3.145 1.893 636 HE1 HIS 82 HE1 HIS 82 -7.992 2.266 0.731 637 HE2 HIS 82 HE2 HIS 82 -5.609 1.489 0.724 638 H SER 83 HN SER 83 -3.777 6.577 5.162 639 HA SER 83 HA SER 83 -2.910 3.997 5.846 640 HB2 SER 83 HB2 SER 83 -1.442 5.986 5.880 641 HB3 SER 83 HB1 SER 83 -2.340 6.625 7.256 642 HG SER 83 HG SER 83 -1.006 4.114 7.264 643 H SER 84 HN SER 84 -4.947 6.315 7.599 644 HA SER 84 HA SER 84 -5.201 4.601 9.895 645 HB2 SER 84 HB2 SER 84 -6.944 6.413 10.492 646 HB3 SER 84 HB1 SER 84 -5.245 6.884 10.401 647 HG SER 84 HG SER 84 -7.346 7.733 8.909 648 H TYR 85 HN TYR 85 -6.701 4.875 6.882 649 HA TYR 85 HA TYR 85 -9.359 4.200 7.446 650 HB2 TYR 85 HB2 TYR 85 -8.765 5.123 5.295 651 HB3 TYR 85 HB1 TYR 85 -7.698 3.770 4.958 652 HD1 TYR 85 HD1 TYR 85 -11.263 4.697 5.427 653 HD2 TYR 85 HD2 TYR 85 -8.510 1.843 3.884 654 HE1 TYR 85 HE1 TYR 85 -13.101 3.559 4.260 655 HE2 TYR 85 HE2 TYR 85 -10.337 0.694 2.717 656 HH TYR 85 HH TYR 85 -12.791 0.460 2.898 657 H LEU 86 HN LEU 86 -6.543 2.142 6.829 658 HA LEU 86 HA LEU 86 -7.913 -0.294 6.516 659 HB2 LEU 86 HB2 LEU 86 -5.118 0.380 7.361 660 HB3 LEU 86 HB1 LEU 86 -5.673 -1.280 7.390 661 HG LEU 86 HG LEU 86 -4.442 -0.924 5.375 662 HD11 LEU 86 HD11 LEU 86 -6.102 -1.465 3.663 663 HD12 LEU 86 HD12 LEU 86 -7.388 -1.021 4.783 664 HD13 LEU 86 HD13 LEU 86 -6.330 -2.381 5.150 665 HD21 LEU 86 HD21 LEU 86 -6.289 1.393 4.855 666 HD22 LEU 86 HD22 LEU 86 -5.146 0.739 3.689 667 HD23 LEU 86 HD23 LEU 86 -4.560 1.467 5.183 668 H ARG 87 HN ARG 87 -6.577 1.217 9.419 669 HA ARG 87 HA ARG 87 -7.152 -0.963 11.134 670 HB2 ARG 87 HB2 ARG 87 -6.633 1.944 11.764 671 HB3 ARG 87 HB1 ARG 87 -6.802 0.695 12.984 672 HG2 ARG 87 HG2 ARG 87 -4.864 -0.478 12.087 673 HG3 ARG 87 HG1 ARG 87 -4.697 0.750 10.833 674 HD2 ARG 87 HD2 ARG 87 -3.137 1.217 12.588 675 HD3 ARG 87 HD1 ARG 87 -4.401 2.451 12.607 676 HE ARG 87 HE ARG 87 -5.074 0.352 14.367 677 HH11 ARG 87 HH11 ARG 87 -2.873 3.092 14.112 678 HH12 ARG 87 HH12 ARG 87 -2.700 3.258 15.825 679 HH21 ARG 87 HH21 ARG 87 -4.818 0.583 16.635 680 HH22 ARG 87 HH22 ARG 87 -3.796 1.838 17.250 681 H ALA 88 HN ALA 88 -8.994 1.877 10.211 682 HA ALA 88 HA ALA 88 -11.050 1.383 12.164 683 HB1 ALA 88 HB1 ALA 88 -10.464 3.652 11.559 684 HB2 ALA 88 HB2 ALA 88 -12.152 3.316 11.173 685 HB3 ALA 88 HB3 ALA 88 -10.942 3.346 9.889 686 H LEU 89 HN LEU 89 -10.371 0.173 9.094 687 HA LEU 89 HA LEU 89 -13.105 -0.156 8.207 688 HB2 LEU 89 HB2 LEU 89 -11.164 0.170 6.645 689 HB3 LEU 89 HB1 LEU 89 -10.588 -1.417 7.112 690 HG LEU 89 HG LEU 89 -12.710 -2.382 6.222 691 HD11 LEU 89 HD11 LEU 89 -14.160 -0.479 6.337 692 HD12 LEU 89 HD12 LEU 89 -14.007 -0.963 4.649 693 HD13 LEU 89 HD13 LEU 89 -13.118 0.432 5.249 694 HD21 LEU 89 HD21 LEU 89 -12.055 -2.207 3.882 695 HD22 LEU 89 HD22 LEU 89 -10.643 -2.400 4.915 696 HD23 LEU 89 HD23 LEU 89 -11.042 -0.814 4.254 697 H ARG 90 HN ARG 90 -11.236 -1.673 10.457 698 HA ARG 90 HA ARG 90 -11.496 -4.388 10.030 699 HB2 ARG 90 HB2 ARG 90 -11.105 -4.685 12.422 700 HB3 ARG 90 HB1 ARG 90 -10.060 -3.432 11.778 701 HG2 ARG 90 HG2 ARG 90 -11.513 -1.733 12.735 702 HG3 ARG 90 HG1 ARG 90 -12.576 -2.996 13.367 703 HD2 ARG 90 HD2 ARG 90 -10.572 -3.917 14.583 704 HD3 ARG 90 HD1 ARG 90 -9.712 -2.452 14.108 705 HE ARG 90 HE ARG 90 -11.904 -1.454 15.287 706 HH11 ARG 90 HH11 ARG 90 -9.531 -3.820 16.305 707 HH12 ARG 90 HH12 ARG 90 -9.798 -3.574 17.993 708 HH21 ARG 90 HH21 ARG 90 -12.265 -1.123 17.571 709 HH22 ARG 90 HH22 ARG 90 -11.346 -2.044 18.709 710 H GLU 91 HN GLU 91 -13.375 -5.255 9.366 711 HA GLU 91 HA GLU 91 -15.714 -5.096 11.187 712 HB2 GLU 91 HB2 GLU 91 -17.137 -5.536 9.261 713 HB3 GLU 91 HB1 GLU 91 -16.140 -4.126 8.930 714 HG2 GLU 91 HG2 GLU 91 -14.763 -5.307 7.433 715 HG3 GLU 91 HG1 GLU 91 -15.343 -6.868 8.006 716 H HIS 92 HN HIS 92 -13.202 -6.972 10.400 717 HA HIS 92 HA HIS 92 -14.317 -9.462 9.723 718 HB2 HIS 92 HB2 HIS 92 -11.694 -8.759 11.046 719 HB3 HIS 92 HB1 HIS 92 -12.129 -10.391 10.566 720 HD2 HIS 92 HD2 HIS 92 -11.976 -10.912 7.825 721 HE1 HIS 92 HE1 HIS 92 -10.391 -7.126 6.755 722 HE2 HIS 92 HE2 HIS 92 -10.997 -9.437 5.945 723 H GLY 93 HN GLY 93 -13.639 -7.964 12.832 724 HA2 GLY 93 HA2 GLY 93 -15.620 -9.538 14.127 725 HA3 GLY 93 HA1 GLY 93 -14.005 -10.103 14.534 726 H THR 94 HN THR 94 -15.903 -7.104 14.363 727 HA THR 94 HA THR 94 -14.302 -6.106 16.612 728 HB THR 94 HB THR 94 -15.863 -4.458 14.608 729 HG1 THR 94 HG1 THR 94 -14.060 -4.351 13.436 730 HG21 THR 94 HG21 THR 94 -13.771 -3.699 16.655 731 HG22 THR 94 HG22 THR 94 -15.491 -3.355 16.771 732 HG23 THR 94 HG23 THR 94 -14.525 -2.596 15.506 733 H ILE 95 HN ILE 95 -15.541 -6.949 18.267 734 HA ILE 95 HA ILE 95 -18.341 -6.080 18.416 735 HB ILE 95 HB ILE 95 -16.898 -8.212 20.011 736 HG12 ILE 95 HG12 ILE 95 -19.113 -8.509 17.990 737 HG13 ILE 95 HG11 ILE 95 -17.407 -8.734 17.602 738 HG21 ILE 95 HG21 ILE 95 -18.617 -7.143 21.359 739 HG22 ILE 95 HG22 ILE 95 -19.127 -8.771 20.904 740 HG23 ILE 95 HG23 ILE 95 -19.797 -7.370 20.067 741 HD11 ILE 95 HD11 ILE 95 -18.978 -10.342 19.612 742 HD12 ILE 95 HD12 ILE 95 -17.287 -10.586 19.182 743 HD13 ILE 95 HD13 ILE 95 -18.553 -10.863 17.981 744 H TYR 96 HN TYR 96 -18.827 -4.450 19.689 745 HA TYR 96 HA TYR 96 -17.093 -3.886 21.988 746 HB2 TYR 96 HB2 TYR 96 -16.754 -2.364 19.916 747 HB3 TYR 96 HB1 TYR 96 -18.330 -1.700 20.324 748 HD1 TYR 96 HD2 TYR 96 -18.640 -0.511 22.517 749 HD2 TYR 96 HD1 TYR 96 -14.820 -1.795 21.151 750 HE1 TYR 96 HE2 TYR 96 -17.558 0.976 24.153 751 HE2 TYR 96 HE1 TYR 96 -13.728 -0.320 22.782 752 HH TYR 96 HH TYR 96 -14.237 1.725 24.061 753 H CYS 97 HN CYS 97 -18.202 -3.408 23.834 754 HA CYS 97 HA CYS 97 -19.918 -3.155 25.297 755 HB2 CYS 97 HB2 CYS 97 -20.350 -1.099 23.927 756 HB3 CYS 97 HB1 CYS 97 -21.486 -2.029 22.962 757 HG CYS 97 HG CYS 97 -23.167 -2.568 25.179 758 H GLY 98 HN GLY 98 -19.765 -5.485 23.232 759 HA2 GLY 98 HA2 GLY 98 -20.821 -7.583 23.589 760 HA3 GLY 98 HA1 GLY 98 -22.237 -6.740 24.188 761 H ALA 99 HN ALA 99 -21.167 -5.238 21.369 762 HA ALA 99 HA ALA 99 -22.654 -7.048 19.624 763 HB1 ALA 99 HB1 ALA 99 -23.972 -5.236 18.695 764 HB2 ALA 99 HB2 ALA 99 -23.288 -4.115 19.876 765 HB3 ALA 99 HB3 ALA 99 -24.308 -5.455 20.411 766 H ALA 100 HN ALA 100 -22.063 -6.962 17.474 767 HA ALA 100 HA ALA 100 -19.513 -5.723 16.949 768 HB1 ALA 100 HB1 ALA 100 -19.923 -7.942 16.066 769 HB2 ALA 100 HB2 ALA 100 -19.650 -6.799 14.754 770 HB3 ALA 100 HB3 ALA 100 -21.292 -7.346 15.125 771 H ILE 101 HN ILE 101 -19.107 -3.959 15.857 772 HA ILE 101 HA ILE 101 -21.375 -2.401 14.904 773 HB ILE 101 HB ILE 101 -19.721 -0.519 14.758 774 HG12 ILE 101 HG12 ILE 101 -17.886 -2.453 16.199 775 HG13 ILE 101 HG11 ILE 101 -17.697 -1.950 14.525 776 HG21 ILE 101 HG21 ILE 101 -21.156 -0.708 16.683 777 HG22 ILE 101 HG22 ILE 101 -19.560 -0.171 17.200 778 HG23 ILE 101 HG23 ILE 101 -20.050 -1.851 17.443 779 HD11 ILE 101 HD11 ILE 101 -17.584 -0.119 16.911 780 HD12 ILE 101 HD12 ILE 101 -17.307 0.330 15.225 781 HD13 ILE 101 HD13 ILE 101 -16.192 -0.770 16.045 782 H GLY 102 HN GLY 102 -21.566 -1.722 12.795 783 HA2 GLY 102 HA2 GLY 102 -19.753 -3.111 10.933 784 HA3 GLY 102 HA1 GLY 102 -21.427 -2.699 10.588 785 H CYS 103 HN CYS 103 -18.287 -1.861 10.061 786 HA CYS 103 HA CYS 103 -19.110 0.826 9.235 787 HB2 CYS 103 HB2 CYS 103 -16.623 1.389 9.449 788 HB3 CYS 103 HB1 CYS 103 -17.525 1.188 10.948 789 HG CYS 103 HG CYS 103 -14.715 -0.031 10.443 790 H VAL 104 HN VAL 104 -19.577 0.550 7.144 791 HA VAL 104 HA VAL 104 -17.561 -0.804 5.467 792 HB VAL 104 HB VAL 104 -19.325 -1.358 3.864 793 HG11 VAL 104 HG11 VAL 104 -18.899 -2.953 5.635 794 HG12 VAL 104 HG12 VAL 104 -20.598 -2.971 5.159 795 HG13 VAL 104 HG13 VAL 104 -20.108 -2.168 6.651 796 HG21 VAL 104 HG21 VAL 104 -21.255 -0.048 5.782 797 HG22 VAL 104 HG22 VAL 104 -21.680 -0.922 4.312 798 HG23 VAL 104 HG23 VAL 104 -20.770 0.579 4.207 799 HA PRO 105 HA PRO 105 -16.833 2.905 3.185 800 HB2 PRO 105 HB2 PRO 105 -17.115 2.033 0.563 801 HB3 PRO 105 HB1 PRO 105 -15.646 1.852 1.534 802 HG2 PRO 105 HG2 PRO 105 -17.836 -0.111 0.997 803 HG3 PRO 105 HG1 PRO 105 -16.083 -0.370 1.067 804 HD2 PRO 105 HD2 PRO 105 -17.661 -1.076 3.088 805 HD3 PRO 105 HD1 PRO 105 -16.053 -0.382 3.387 806 H TYR 106 HN TYR 106 -17.876 4.572 2.091 807 HA TYR 106 HA TYR 106 -20.625 4.718 2.516 808 HB2 TYR 106 HB2 TYR 106 -19.203 6.689 2.522 809 HB3 TYR 106 HB1 TYR 106 -18.868 6.487 0.812 810 HD1 TYR 106 HD1 TYR 106 -21.554 7.245 3.242 811 HD2 TYR 106 HD2 TYR 106 -20.325 7.384 -0.821 812 HE1 TYR 106 HE1 TYR 106 -23.468 8.682 2.729 813 HE2 TYR 106 HE2 TYR 106 -22.248 8.822 -1.360 814 HH TYR 106 HH TYR 106 -24.311 9.483 -0.566 815 H LYS 107 HN LYS 107 -22.203 3.888 1.463 816 HA LYS 107 HA LYS 107 -22.116 3.798 -1.471 817 HB2 LYS 107 HB2 LYS 107 -23.393 1.813 0.425 818 HB3 LYS 107 HB1 LYS 107 -23.697 1.829 -1.298 819 HG2 LYS 107 HG2 LYS 107 -21.229 1.437 -1.629 820 HG3 LYS 107 HG1 LYS 107 -21.122 1.197 0.119 821 HD2 LYS 107 HD2 LYS 107 -22.942 -0.366 -1.716 822 HD3 LYS 107 HD1 LYS 107 -21.355 -0.924 -1.183 823 HE2 LYS 107 HE2 LYS 107 -22.093 -0.887 1.130 824 HE3 LYS 107 HE1 LYS 107 -23.663 -0.247 0.639 825 HZ1 LYS 107 HZ1 LYS 107 -23.598 -2.684 1.064 826 HZ2 LYS 107 HZ2 LYS 107 -22.608 -2.850 -0.290 827 HZ3 LYS 107 HZ3 LYS 107 -24.181 -2.261 -0.462 828 H HIS 108 HN HIS 108 -23.817 4.803 -2.440 829 HA HIS 108 HA HIS 108 -25.439 6.442 -0.813 830 HB2 HIS 108 HB2 HIS 108 -26.561 7.135 -2.921 831 HB3 HIS 108 HB1 HIS 108 -24.822 7.279 -2.967 832 HD2 HIS 108 HD2 HIS 108 -23.607 5.975 -5.055 833 HE1 HIS 108 HE1 HIS 108 -27.036 3.952 -6.498 834 HE2 HIS 108 HE2 HIS 108 -24.683 4.686 -7.012 835 H GLU 109 HN GLU 109 -25.977 3.405 -2.414 836 HA GLU 109 HA GLU 109 -28.772 3.267 -1.993 837 HB2 GLU 109 HB2 GLU 109 -27.491 1.868 -3.613 838 HB3 GLU 109 HB1 GLU 109 -26.806 0.984 -2.265 839 HG2 GLU 109 HG2 GLU 109 -28.998 0.178 -1.645 840 HG3 GLU 109 HG1 GLU 109 -29.733 1.144 -2.918 841 H LEU 110 HN LEU 110 -25.972 2.408 -0.061 842 HA LEU 110 HA LEU 110 -27.224 0.898 1.963 843 HB2 LEU 110 HB2 LEU 110 -24.786 1.044 1.670 844 HB3 LEU 110 HB1 LEU 110 -24.826 2.730 2.147 845 HG LEU 110 HG LEU 110 -25.764 1.901 4.372 846 HD11 LEU 110 HD11 LEU 110 -24.777 -0.702 3.222 847 HD12 LEU 110 HD12 LEU 110 -26.404 -0.334 3.817 848 HD13 LEU 110 HD13 LEU 110 -25.052 -0.433 4.942 849 HD21 LEU 110 HD21 LEU 110 -23.524 2.774 4.136 850 HD22 LEU 110 HD22 LEU 110 -22.939 1.210 3.579 851 HD23 LEU 110 HD23 LEU 110 -23.516 1.396 5.233 852 H ILE 111 HN ILE 111 -26.573 4.356 1.643 853 HA ILE 111 HA ILE 111 -27.577 5.177 4.125 854 HB ILE 111 HB ILE 111 -27.570 6.722 1.522 855 HG12 ILE 111 HG12 ILE 111 -25.348 5.875 2.103 856 HG13 ILE 111 HG11 ILE 111 -25.424 7.624 2.262 857 HG21 ILE 111 HG21 ILE 111 -29.011 7.731 3.224 858 HG22 ILE 111 HG22 ILE 111 -27.592 8.726 2.885 859 HG23 ILE 111 HG23 ILE 111 -27.655 7.750 4.356 860 HD11 ILE 111 HD11 ILE 111 -24.176 6.697 4.109 861 HD12 ILE 111 HD12 ILE 111 -25.500 5.598 4.499 862 HD13 ILE 111 HD13 ILE 111 -25.705 7.335 4.714 863 H SER 112 HN SER 112 -29.130 4.759 0.990 864 HA SER 112 HA SER 112 -31.667 5.723 1.687 865 HB2 SER 112 HB2 SER 112 -30.863 5.207 -0.635 866 HB3 SER 112 HB1 SER 112 -31.010 3.501 -0.256 867 HG SER 112 HG SER 112 -33.015 5.421 -0.620 868 H GLU 113 HN GLU 113 -30.281 2.460 1.793 869 HA GLU 113 HA GLU 113 -32.563 1.130 2.780 870 HB2 GLU 113 HB2 GLU 113 -30.762 -0.166 1.876 871 HB3 GLU 113 HB1 GLU 113 -29.631 0.451 3.081 872 HG2 GLU 113 HG2 GLU 113 -30.309 -1.829 3.582 873 HG3 GLU 113 HG1 GLU 113 -30.849 -0.715 4.836 874 H LEU 114 HN LEU 114 -29.819 2.506 4.599 875 HA LEU 114 HA LEU 114 -30.775 1.801 7.108 876 HB2 LEU 114 HB2 LEU 114 -28.809 3.803 6.107 877 HB3 LEU 114 HB1 LEU 114 -29.308 3.873 7.786 878 HG LEU 114 HG LEU 114 -28.554 1.591 8.130 879 HD11 LEU 114 HD11 LEU 114 -27.242 0.405 6.461 880 HD12 LEU 114 HD12 LEU 114 -27.622 1.665 5.288 881 HD13 LEU 114 HD13 LEU 114 -28.908 0.661 5.943 882 HD21 LEU 114 HD21 LEU 114 -26.988 3.425 8.525 883 HD22 LEU 114 HD22 LEU 114 -26.433 3.306 6.858 884 HD23 LEU 114 HD23 LEU 114 -26.151 1.974 7.977 885 H SER 115 HN SER 115 -31.517 4.592 5.093 886 HA SER 115 HA SER 115 -32.946 5.973 7.155 887 HB2 SER 115 HB2 SER 115 -33.219 6.278 4.153 888 HB3 SER 115 HB1 SER 115 -33.692 7.457 5.377 889 HG SER 115 HG SER 115 -31.035 6.542 4.877 890 H ARG 116 HN ARG 116 -33.663 3.366 5.035 891 HA ARG 116 HA ARG 116 -36.548 3.593 5.242 892 HB2 ARG 116 HB2 ARG 116 -34.693 1.625 3.921 893 HB3 ARG 116 HB1 ARG 116 -36.431 1.394 3.976 894 HG2 ARG 116 HG2 ARG 116 -36.830 3.304 2.658 895 HG3 ARG 116 HG1 ARG 116 -35.165 3.860 2.834 896 HD2 ARG 116 HD2 ARG 116 -35.599 2.872 0.629 897 HD3 ARG 116 HD1 ARG 116 -34.371 1.983 1.523 898 HE ARG 116 HE ARG 116 -36.908 0.824 1.950 899 HH11 ARG 116 HH11 ARG 116 -34.495 1.197 -0.565 900 HH12 ARG 116 HH12 ARG 116 -34.839 -0.313 -1.323 901 HH21 ARG 116 HH21 ARG 116 -37.388 -1.197 0.946 902 HH22 ARG 116 HH22 ARG 116 -36.505 -1.677 -0.461 903 H GLU 117 HN GLU 117 -33.990 1.380 6.321 904 HA GLU 117 HA GLU 117 -33.839 -0.169 7.917 905 HB2 GLU 117 HB2 GLU 117 -36.172 1.312 9.151 906 HB3 GLU 117 HB1 GLU 117 -35.291 0.010 9.938 907 HG2 GLU 117 HG2 GLU 117 -33.221 1.358 9.775 908 HG3 GLU 117 HG1 GLU 117 -34.180 2.669 9.085 909 H GLY 118 HN GLY 118 -34.359 -1.716 6.325 910 HA2 GLY 118 HA2 GLY 118 -37.081 -2.703 6.163 911 HA3 GLY 118 HA1 GLY 118 -35.675 -3.354 5.339 912 H HIS 119 HN HIS 119 -34.431 -3.231 8.204 913 HA HIS 119 HA HIS 119 -35.061 -5.983 8.827 914 HB2 HIS 119 HB2 HIS 119 -33.249 -4.028 10.267 915 HB3 HIS 119 HB1 HIS 119 -33.369 -5.741 10.613 916 HD2 HIS 119 HD2 HIS 119 -32.766 -7.231 7.971 917 HE1 HIS 119 HE1 HIS 119 -29.656 -4.438 7.263 918 HE2 HIS 119 HE2 HIS 119 -30.765 -6.557 6.489 919 H HIS 120 HN HIS 120 -37.340 -5.465 9.246 920 HA HIS 120 HA HIS 120 -37.858 -4.038 11.733 921 HB2 HIS 120 HB2 HIS 120 -39.257 -3.595 9.720 922 HB3 HIS 120 HB1 HIS 120 -39.823 -5.261 9.781 923 HD2 HIS 120 HD2 HIS 120 -40.458 -1.860 11.518 924 HE1 HIS 120 HE1 HIS 120 -43.076 -4.722 13.228 925 HE2 HIS 120 HE2 HIS 120 -42.477 -2.279 13.086 926 H HIS 121 HN HIS 121 -37.768 -5.138 13.557 927 HA HIS 121 HA HIS 121 -39.269 -7.554 13.881 928 HB2 HIS 121 HB2 HIS 121 -37.444 -8.950 14.713 929 HB3 HIS 121 HB1 HIS 121 -37.136 -8.480 13.049 930 HD2 HIS 121 HD2 HIS 121 -34.910 -6.787 12.686 931 HE1 HIS 121 HE1 HIS 121 -33.537 -7.096 16.684 932 HE2 HIS 121 HE2 HIS 121 -33.075 -6.167 14.396 933 H HIS 122 HN HIS 122 -39.413 -8.194 16.140 934 HA HIS 122 HA HIS 122 -38.343 -6.392 18.131 935 HB2 HIS 122 HB2 HIS 122 -40.344 -5.169 17.461 936 HB3 HIS 122 HB1 HIS 122 -41.328 -6.619 17.649 937 HD2 HIS 122 HD2 HIS 122 -39.581 -3.917 19.902 938 HE1 HIS 122 HE1 HIS 122 -42.235 -6.185 22.300 939 HE2 HIS 122 HE2 HIS 122 -40.591 -4.293 22.249 940 H HIS 123 HN HIS 123 -40.892 -8.836 17.682 941 HA HIS 123 HA HIS 123 -39.517 -10.555 19.598 942 HB2 HIS 123 HB2 HIS 123 -41.185 -9.245 20.922 943 HB3 HIS 123 HB1 HIS 123 -42.456 -9.855 19.866 944 HD2 HIS 123 HD2 HIS 123 -43.413 -12.374 20.509 945 HE1 HIS 123 HE1 HIS 123 -40.711 -13.139 23.688 946 HE2 HIS 123 HE2 HIS 123 -42.746 -13.959 22.444 947 H HIS 124 HN HIS 124 -39.374 -12.503 18.759 948 HA HIS 124 HA HIS 124 -40.846 -13.197 16.408 949 HB2 HIS 124 HB2 HIS 124 -38.878 -14.746 18.110 950 HB3 HIS 124 HB1 HIS 124 -39.597 -15.379 16.634 951 HD2 HIS 124 HD2 HIS 124 -38.424 -14.497 14.290 952 HE1 HIS 124 HE1 HIS 124 -35.652 -11.834 16.083 953 HE2 HIS 124 HE2 HIS 124 -36.415 -12.917 13.933 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -7.426 5.091 -21.356 2 H2 MET 1 HT2 MET 1 -6.749 3.610 -20.926 3 H3 MET 1 HT3 MET 1 -7.347 4.645 -19.730 4 HA MET 1 HA MET 1 -8.933 3.321 -21.839 5 HB2 MET 1 HB2 MET 1 -8.820 2.798 -18.860 6 HB3 MET 1 HB1 MET 1 -9.953 2.056 -19.974 7 HG2 MET 1 HG2 MET 1 -8.046 1.040 -21.170 8 HG3 MET 1 HG1 MET 1 -6.966 1.713 -19.952 9 HE1 MET 1 HE1 MET 1 -8.701 1.383 -17.271 10 HE2 MET 1 HE2 MET 1 -6.979 1.013 -17.406 11 HE3 MET 1 HE3 MET 1 -8.086 -0.171 -16.718 12 H SER 2 HN SER 2 -9.811 4.314 -18.560 13 HA SER 2 HA SER 2 -12.010 5.830 -19.678 14 HB2 SER 2 HB2 SER 2 -12.673 5.999 -17.239 15 HB3 SER 2 HB1 SER 2 -12.586 4.363 -17.897 16 HG SER 2 HG SER 2 -11.340 4.050 -16.219 17 H LEU 3 HN LEU 3 -8.919 6.351 -18.260 18 HA LEU 3 HA LEU 3 -7.639 8.177 -17.902 19 HB2 LEU 3 HB2 LEU 3 -8.501 8.884 -20.128 20 HB3 LEU 3 HB1 LEU 3 -9.827 9.704 -19.336 21 HG LEU 3 HG LEU 3 -8.219 11.245 -18.267 22 HD11 LEU 3 HD11 LEU 3 -6.275 9.806 -18.189 23 HD12 LEU 3 HD12 LEU 3 -5.901 11.290 -19.065 24 HD13 LEU 3 HD13 LEU 3 -6.188 9.793 -19.951 25 HD21 LEU 3 HD21 LEU 3 -7.639 12.489 -20.298 26 HD22 LEU 3 HD22 LEU 3 -9.285 11.865 -20.374 27 HD23 LEU 3 HD23 LEU 3 -7.995 11.066 -21.272 28 H GLY 4 HN GLY 4 -10.259 7.499 -16.284 29 HA2 GLY 4 HA2 GLY 4 -9.745 9.413 -14.203 30 HA3 GLY 4 HA1 GLY 4 -11.327 9.609 -14.952 31 H SER 5 HN SER 5 -11.176 8.990 -12.285 32 HA SER 5 HA SER 5 -12.519 6.436 -12.276 33 HB2 SER 5 HB2 SER 5 -11.102 5.603 -10.335 34 HB3 SER 5 HB1 SER 5 -10.318 5.597 -11.916 35 HG SER 5 HG SER 5 -9.887 7.966 -10.822 36 H GLU 6 HN GLU 6 -13.817 6.099 -10.464 37 HA GLU 6 HA GLU 6 -14.493 8.567 -9.051 38 HB2 GLU 6 HB2 GLU 6 -16.066 5.988 -9.164 39 HB3 GLU 6 HB1 GLU 6 -16.650 7.588 -8.737 40 HG2 GLU 6 HG2 GLU 6 -15.726 6.733 -11.476 41 HG3 GLU 6 HG1 GLU 6 -17.401 6.885 -10.960 42 H SER 7 HN SER 7 -12.346 6.429 -8.504 43 HA SER 7 HA SER 7 -13.037 4.971 -6.207 44 HB2 SER 7 HB2 SER 7 -10.251 5.785 -6.993 45 HB3 SER 7 HB1 SER 7 -10.743 4.347 -6.097 46 HG SER 7 HG SER 7 -11.804 3.624 -7.993 47 H GLU 8 HN GLU 8 -12.311 8.219 -6.536 48 HA GLU 8 HA GLU 8 -10.949 8.649 -4.122 49 HB2 GLU 8 HB2 GLU 8 -10.832 10.142 -6.085 50 HB3 GLU 8 HB1 GLU 8 -12.500 10.611 -5.797 51 HG2 GLU 8 HG2 GLU 8 -11.928 11.579 -3.713 52 HG3 GLU 8 HG1 GLU 8 -10.274 10.982 -3.847 53 H THR 9 HN THR 9 -14.109 7.949 -4.757 54 HA THR 9 HA THR 9 -15.449 9.350 -2.686 55 HB THR 9 HB THR 9 -16.246 6.645 -3.801 56 HG1 THR 9 HG1 THR 9 -16.145 7.920 -5.594 57 HG21 THR 9 HG21 THR 9 -17.874 8.902 -2.607 58 HG22 THR 9 HG22 THR 9 -17.466 7.398 -1.786 59 HG23 THR 9 HG23 THR 9 -18.514 7.367 -3.204 60 H GLY 10 HN GLY 10 -13.540 6.427 -2.789 61 HA2 GLY 10 HA2 GLY 10 -14.472 5.275 -0.344 62 HA3 GLY 10 HA1 GLY 10 -13.063 4.789 -1.265 63 H ASN 11 HN ASN 11 -13.877 7.830 0.383 64 HA ASN 11 HA ASN 11 -11.507 7.424 2.083 65 HB2 ASN 11 HB2 ASN 11 -12.566 10.003 0.901 66 HB3 ASN 11 HB1 ASN 11 -11.364 9.947 2.189 67 HD21 ASN 11 HD21 ASN 11 -11.142 11.006 -0.523 68 HD22 ASN 11 HD22 ASN 11 -9.832 10.155 -1.267 69 H ALA 12 HN ALA 12 -14.626 7.103 2.173 70 HA ALA 12 HA ALA 12 -14.883 7.975 4.957 71 HB1 ALA 12 HB1 ALA 12 -16.013 9.695 3.624 72 HB2 ALA 12 HB2 ALA 12 -17.191 8.745 4.528 73 HB3 ALA 12 HB3 ALA 12 -16.956 8.450 2.805 74 H VAL 13 HN VAL 13 -16.105 6.570 6.221 75 HA VAL 13 HA VAL 13 -17.038 4.109 4.873 76 HB VAL 13 HB VAL 13 -16.483 2.871 6.977 77 HG11 VAL 13 HG11 VAL 13 -14.961 2.778 5.099 78 HG12 VAL 13 HG12 VAL 13 -14.069 2.770 6.622 79 HG13 VAL 13 HG13 VAL 13 -14.159 4.243 5.657 80 HG21 VAL 13 HG21 VAL 13 -15.022 5.403 7.736 81 HG22 VAL 13 HG22 VAL 13 -15.001 3.882 8.627 82 HG23 VAL 13 HG23 VAL 13 -16.498 4.805 8.497 83 H VAL 14 HN VAL 14 -18.712 2.940 5.959 84 HA VAL 14 HA VAL 14 -20.476 4.663 7.575 85 HB VAL 14 HB VAL 14 -21.241 2.202 5.970 86 HG11 VAL 14 HG11 VAL 14 -23.540 2.974 6.311 87 HG12 VAL 14 HG12 VAL 14 -22.942 4.321 7.276 88 HG13 VAL 14 HG13 VAL 14 -22.727 2.668 7.845 89 HG21 VAL 14 HG21 VAL 14 -20.494 3.997 4.472 90 HG22 VAL 14 HG22 VAL 14 -21.642 5.102 5.229 91 HG23 VAL 14 HG23 VAL 14 -22.230 3.708 4.325 92 H VAL 15 HN VAL 15 -20.411 4.123 9.678 93 HA VAL 15 HA VAL 15 -19.783 1.328 10.339 94 HB VAL 15 HB VAL 15 -19.300 3.783 12.045 95 HG11 VAL 15 HG11 VAL 15 -18.105 2.284 13.521 96 HG12 VAL 15 HG12 VAL 15 -18.469 0.925 12.456 97 HG13 VAL 15 HG13 VAL 15 -19.774 1.750 13.307 98 HG21 VAL 15 HG21 VAL 15 -17.768 3.741 10.151 99 HG22 VAL 15 HG22 VAL 15 -17.348 2.069 10.512 100 HG23 VAL 15 HG23 VAL 15 -16.912 3.343 11.643 101 H PHE 16 HN PHE 16 -21.228 0.209 11.448 102 HA PHE 16 HA PHE 16 -23.265 1.567 13.028 103 HB2 PHE 16 HB2 PHE 16 -25.099 0.338 11.911 104 HB3 PHE 16 HB1 PHE 16 -24.291 1.455 10.822 105 HD1 PHE 16 HD2 PHE 16 -22.904 0.631 8.991 106 HD2 PHE 16 HD1 PHE 16 -24.957 -2.053 11.579 107 HE1 PHE 16 HE2 PHE 16 -22.531 -1.197 7.385 108 HE2 PHE 16 HE1 PHE 16 -24.592 -3.888 9.977 109 HZ PHE 16 HZ PHE 16 -23.377 -3.458 7.875 110 H GLY 17 HN GLY 17 -24.683 -0.093 14.155 111 HA2 GLY 17 HA2 GLY 17 -24.796 -2.533 14.665 112 HA3 GLY 17 HA1 GLY 17 -23.051 -2.465 14.828 113 H TYR 18 HN TYR 18 -23.171 0.154 16.146 114 HA TYR 18 HA TYR 18 -23.840 -0.833 18.820 115 HB2 TYR 18 HB2 TYR 18 -22.410 1.162 19.552 116 HB3 TYR 18 HB1 TYR 18 -21.587 -0.175 18.758 117 HD1 TYR 18 HD1 TYR 18 -22.964 3.219 18.175 118 HD2 TYR 18 HD2 TYR 18 -20.324 0.179 16.824 119 HE1 TYR 18 HE1 TYR 18 -22.010 4.776 16.538 120 HE2 TYR 18 HE2 TYR 18 -19.362 1.727 15.191 121 HH TYR 18 HH TYR 18 -20.116 3.835 13.972 122 H ARG 19 HN ARG 19 -24.047 1.477 20.222 123 HA ARG 19 HA ARG 19 -26.539 2.652 19.179 124 HB2 ARG 19 HB2 ARG 19 -26.855 1.046 21.040 125 HB3 ARG 19 HB1 ARG 19 -25.797 2.015 22.046 126 HG2 ARG 19 HG2 ARG 19 -27.381 3.881 21.883 127 HG3 ARG 19 HG1 ARG 19 -28.458 2.861 20.927 128 HD2 ARG 19 HD2 ARG 19 -28.621 1.293 22.799 129 HD3 ARG 19 HD1 ARG 19 -27.545 2.321 23.747 130 HE ARG 19 HE ARG 19 -29.840 3.719 22.766 131 HH11 ARG 19 HH11 ARG 19 -28.664 1.669 25.363 132 HH12 ARG 19 HH12 ARG 19 -29.888 2.161 26.478 133 HH21 ARG 19 HH21 ARG 19 -31.446 4.382 24.248 134 HH22 ARG 19 HH22 ARG 19 -31.482 3.714 25.842 135 H GLU 20 HN GLU 20 -26.917 4.899 19.805 136 HA GLU 20 HA GLU 20 -24.537 6.434 19.760 137 HB2 GLU 20 HB2 GLU 20 -25.896 8.395 19.746 138 HB3 GLU 20 HB1 GLU 20 -26.656 7.188 18.725 139 HG2 GLU 20 HG2 GLU 20 -27.461 7.921 21.521 140 HG3 GLU 20 HG1 GLU 20 -28.251 8.421 20.033 141 H ALA 21 HN ALA 21 -26.575 5.390 22.358 142 HA ALA 21 HA ALA 21 -25.780 7.182 24.350 143 HB1 ALA 21 HB1 ALA 21 -27.689 5.632 24.526 144 HB2 ALA 21 HB2 ALA 21 -26.629 5.576 25.935 145 HB3 ALA 21 HB3 ALA 21 -26.557 4.296 24.729 146 H ILE 22 HN ILE 22 -24.002 4.496 22.995 147 HA ILE 22 HA ILE 22 -22.261 4.311 25.307 148 HB ILE 22 HB ILE 22 -21.038 2.537 24.045 149 HG12 ILE 22 HG12 ILE 22 -22.419 1.573 22.041 150 HG13 ILE 22 HG11 ILE 22 -23.086 3.196 21.931 151 HG21 ILE 22 HG21 ILE 22 -24.006 2.155 24.326 152 HG22 ILE 22 HG22 ILE 22 -22.798 1.979 25.600 153 HG23 ILE 22 HG23 ILE 22 -22.809 0.863 24.230 154 HD11 ILE 22 HD11 ILE 22 -21.275 2.884 20.350 155 HD12 ILE 22 HD12 ILE 22 -20.173 2.460 21.659 156 HD13 ILE 22 HD13 ILE 22 -20.830 4.090 21.556 157 H THR 23 HN THR 23 -22.313 6.777 23.592 158 HA THR 23 HA THR 23 -20.044 6.950 21.979 159 HB THR 23 HB THR 23 -21.134 9.216 23.667 160 HG1 THR 23 HG1 THR 23 -22.666 8.047 22.157 161 HG21 THR 23 HG21 THR 23 -18.964 9.679 22.662 162 HG22 THR 23 HG22 THR 23 -20.227 10.636 21.888 163 HG23 THR 23 HG23 THR 23 -19.581 9.210 21.078 164 H LYS 24 HN LYS 24 -20.388 7.619 25.461 165 HA LYS 24 HA LYS 24 -17.878 8.672 25.943 166 HB2 LYS 24 HB2 LYS 24 -19.514 6.971 27.821 167 HB3 LYS 24 HB1 LYS 24 -18.301 8.164 28.259 168 HG2 LYS 24 HG2 LYS 24 -21.000 8.672 27.025 169 HG3 LYS 24 HG1 LYS 24 -20.448 9.113 28.643 170 HD2 LYS 24 HD2 LYS 24 -18.628 10.432 27.398 171 HD3 LYS 24 HD1 LYS 24 -19.672 10.280 25.999 172 HE2 LYS 24 HE2 LYS 24 -20.548 11.436 28.637 173 HE3 LYS 24 HE1 LYS 24 -20.026 12.378 27.247 174 HZ1 LYS 24 HZ1 LYS 24 -21.843 11.381 25.970 175 HZ2 LYS 24 HZ2 LYS 24 -22.395 12.277 27.300 176 HZ3 LYS 24 HZ3 LYS 24 -22.381 10.583 27.367 177 H GLN 25 HN GLN 25 -18.979 5.336 25.920 178 HA GLN 25 HA GLN 25 -16.610 4.207 27.003 179 HB2 GLN 25 HB2 GLN 25 -18.878 2.997 25.436 180 HB3 GLN 25 HB1 GLN 25 -17.600 2.064 26.196 181 HG2 GLN 25 HG2 GLN 25 -18.259 2.858 28.359 182 HG3 GLN 25 HG1 GLN 25 -19.487 3.897 27.640 183 HE21 GLN 25 HE21 GLN 25 -21.078 2.889 28.854 184 HE22 GLN 25 HE22 GLN 25 -21.677 1.314 28.454 185 H ILE 26 HN ILE 26 -17.975 4.037 23.721 186 HA ILE 26 HA ILE 26 -15.748 2.717 22.645 187 HB ILE 26 HB ILE 26 -18.200 2.843 21.813 188 HG12 ILE 26 HG12 ILE 26 -16.043 2.992 19.717 189 HG13 ILE 26 HG11 ILE 26 -16.261 1.617 20.803 190 HG21 ILE 26 HG21 ILE 26 -17.009 5.195 20.364 191 HG22 ILE 26 HG22 ILE 26 -18.366 5.225 21.489 192 HG23 ILE 26 HG23 ILE 26 -18.524 4.405 19.933 193 HD11 ILE 26 HD11 ILE 26 -17.295 1.260 18.624 194 HD12 ILE 26 HD12 ILE 26 -18.321 2.672 18.890 195 HD13 ILE 26 HD13 ILE 26 -18.479 1.254 19.934 196 H LEU 27 HN LEU 27 -16.487 6.086 23.062 197 HA LEU 27 HA LEU 27 -14.737 7.174 21.150 198 HB2 LEU 27 HB2 LEU 27 -16.505 8.438 22.346 199 HB3 LEU 27 HB1 LEU 27 -15.546 8.348 23.808 200 HG LEU 27 HG LEU 27 -13.785 9.678 22.717 201 HD11 LEU 27 HD11 LEU 27 -15.763 9.851 20.444 202 HD12 LEU 27 HD12 LEU 27 -14.177 9.081 20.400 203 HD13 LEU 27 HD13 LEU 27 -14.302 10.828 20.597 204 HD21 LEU 27 HD21 LEU 27 -15.391 10.820 24.074 205 HD22 LEU 27 HD22 LEU 27 -16.557 10.852 22.752 206 HD23 LEU 27 HD23 LEU 27 -15.077 11.800 22.643 207 H ALA 28 HN ALA 28 -14.237 5.999 24.414 208 HA ALA 28 HA ALA 28 -11.743 7.127 24.935 209 HB1 ALA 28 HB1 ALA 28 -13.133 5.913 26.596 210 HB2 ALA 28 HB2 ALA 28 -11.447 5.404 26.593 211 HB3 ALA 28 HB3 ALA 28 -12.672 4.395 25.821 212 H TYR 29 HN TYR 29 -12.580 4.241 23.099 213 HA TYR 29 HA TYR 29 -9.777 3.622 22.632 214 HB2 TYR 29 HB2 TYR 29 -11.176 1.730 23.090 215 HB3 TYR 29 HB1 TYR 29 -12.325 2.204 21.846 216 HD1 TYR 29 HD1 TYR 29 -8.858 0.978 22.370 217 HD2 TYR 29 HD2 TYR 29 -12.078 1.456 19.643 218 HE1 TYR 29 HE1 TYR 29 -7.680 -0.442 20.741 219 HE2 TYR 29 HE2 TYR 29 -10.926 0.052 18.007 220 HH TYR 29 HH TYR 29 -8.228 -1.864 18.803 221 H PHE 30 HN PHE 30 -12.624 4.586 20.734 222 HA PHE 30 HA PHE 30 -11.100 4.571 18.305 223 HB2 PHE 30 HB2 PHE 30 -13.969 5.062 18.907 224 HB3 PHE 30 HB1 PHE 30 -13.304 5.655 17.390 225 HD1 PHE 30 HD1 PHE 30 -13.975 2.643 19.379 226 HD2 PHE 30 HD2 PHE 30 -12.691 4.208 15.645 227 HE1 PHE 30 HE1 PHE 30 -14.180 0.403 18.366 228 HE2 PHE 30 HE2 PHE 30 -12.889 1.987 14.622 229 HZ PHE 30 HZ PHE 30 -13.630 0.077 15.981 230 H ALA 31 HN ALA 31 -11.267 6.834 20.695 231 HA ALA 31 HA ALA 31 -11.378 9.249 19.302 232 HB1 ALA 31 HB1 ALA 31 -9.692 8.632 21.716 233 HB2 ALA 31 HB2 ALA 31 -11.396 9.085 21.740 234 HB3 ALA 31 HB3 ALA 31 -10.187 10.234 21.162 235 H GLN 32 HN GLN 32 -8.883 6.849 19.407 236 HA GLN 32 HA GLN 32 -6.734 8.457 18.498 237 HB2 GLN 32 HB2 GLN 32 -7.242 5.493 18.159 238 HB3 GLN 32 HB1 GLN 32 -5.740 6.291 17.725 239 HG2 GLN 32 HG2 GLN 32 -6.924 6.150 20.491 240 HG3 GLN 32 HG1 GLN 32 -5.575 5.185 19.890 241 HE21 GLN 32 HE21 GLN 32 -5.696 7.061 22.114 242 HE22 GLN 32 HE22 GLN 32 -4.488 8.252 21.806 243 H PHE 33 HN PHE 33 -9.525 7.184 16.974 244 HA PHE 33 HA PHE 33 -8.491 7.569 14.289 245 HB2 PHE 33 HB2 PHE 33 -11.153 6.601 15.336 246 HB3 PHE 33 HB1 PHE 33 -10.825 6.856 13.626 247 HD1 PHE 33 HD1 PHE 33 -9.932 4.854 16.576 248 HD2 PHE 33 HD2 PHE 33 -9.550 5.306 12.365 249 HE1 PHE 33 HE1 PHE 33 -8.980 2.591 16.428 250 HE2 PHE 33 HE2 PHE 33 -8.603 3.041 12.208 251 HZ PHE 33 HZ PHE 33 -8.316 1.685 14.241 252 H GLY 34 HN GLY 34 -11.263 8.812 16.235 253 HA2 GLY 34 HA2 GLY 34 -10.846 11.451 15.999 254 HA3 GLY 34 HA1 GLY 34 -11.470 11.059 14.412 255 H GLU 35 HN GLU 35 -13.391 11.875 14.329 256 HA GLU 35 HA GLU 35 -15.137 12.429 16.483 257 HB2 GLU 35 HB2 GLU 35 -14.885 13.634 14.325 258 HB3 GLU 35 HB1 GLU 35 -15.687 12.311 13.517 259 HG2 GLU 35 HG2 GLU 35 -17.723 12.782 14.702 260 HG3 GLU 35 HG1 GLU 35 -16.923 14.060 15.624 261 H ILE 36 HN ILE 36 -16.599 11.085 17.472 262 HA ILE 36 HA ILE 36 -17.656 8.794 15.956 263 HB ILE 36 HB ILE 36 -16.925 8.449 18.871 264 HG12 ILE 36 HG12 ILE 36 -14.838 8.960 17.519 265 HG13 ILE 36 HG11 ILE 36 -14.860 7.360 18.254 266 HG21 ILE 36 HG21 ILE 36 -17.019 6.079 18.256 267 HG22 ILE 36 HG22 ILE 36 -17.464 6.562 16.613 268 HG23 ILE 36 HG23 ILE 36 -18.539 6.938 17.962 269 HD11 ILE 36 HD11 ILE 36 -13.992 7.350 15.964 270 HD12 ILE 36 HD12 ILE 36 -15.554 7.949 15.383 271 HD13 ILE 36 HD13 ILE 36 -15.443 6.363 16.141 272 H LEU 37 HN LEU 37 -19.726 8.156 16.444 273 HA LEU 37 HA LEU 37 -21.885 8.391 16.967 274 HB2 LEU 37 HB2 LEU 37 -20.498 8.374 19.559 275 HB3 LEU 37 HB1 LEU 37 -22.169 8.888 19.593 276 HG LEU 37 HG LEU 37 -22.319 6.651 20.059 277 HD11 LEU 37 HD11 LEU 37 -23.765 7.313 18.169 278 HD12 LEU 37 HD12 LEU 37 -23.395 5.589 18.229 279 HD13 LEU 37 HD13 LEU 37 -22.571 6.625 17.068 280 HD21 LEU 37 HD21 LEU 37 -19.971 6.110 19.638 281 HD22 LEU 37 HD22 LEU 37 -20.318 6.027 17.907 282 HD23 LEU 37 HD23 LEU 37 -21.076 4.886 19.019 283 H GLU 38 HN GLU 38 -21.591 10.562 19.655 284 HA GLU 38 HA GLU 38 -22.124 12.950 18.216 285 HB2 GLU 38 HB2 GLU 38 -24.219 11.541 17.780 286 HB3 GLU 38 HB1 GLU 38 -24.550 11.691 19.492 287 HG2 GLU 38 HG2 GLU 38 -24.704 14.088 19.308 288 HG3 GLU 38 HG1 GLU 38 -24.280 13.997 17.599 289 H ASP 39 HN ASP 39 -23.098 11.275 21.229 290 HA ASP 39 HA ASP 39 -22.881 13.730 22.747 291 HB2 ASP 39 HB2 ASP 39 -23.843 10.983 23.328 292 HB3 ASP 39 HB1 ASP 39 -23.251 11.927 24.689 293 H LEU 40 HN LEU 40 -20.638 14.021 22.210 294 HA LEU 40 HA LEU 40 -18.591 12.336 23.221 295 HB2 LEU 40 HB2 LEU 40 -18.454 15.259 22.489 296 HB3 LEU 40 HB1 LEU 40 -17.090 14.177 22.667 297 HG LEU 40 HG LEU 40 -19.225 13.978 20.539 298 HD11 LEU 40 HD11 LEU 40 -17.508 14.690 19.007 299 HD12 LEU 40 HD12 LEU 40 -16.339 14.798 20.318 300 HD13 LEU 40 HD13 LEU 40 -17.720 15.899 20.276 301 HD21 LEU 40 HD21 LEU 40 -18.348 11.789 21.141 302 HD22 LEU 40 HD22 LEU 40 -16.698 12.382 20.953 303 HD23 LEU 40 HD23 LEU 40 -17.762 12.277 19.550 304 H GLU 41 HN GLU 41 -19.123 15.720 24.140 305 HA GLU 41 HA GLU 41 -19.005 16.867 26.083 306 HB2 GLU 41 HB2 GLU 41 -19.712 14.197 27.275 307 HB3 GLU 41 HB1 GLU 41 -19.593 15.671 28.215 308 HG2 GLU 41 HG2 GLU 41 -21.382 16.659 26.894 309 HG3 GLU 41 HG1 GLU 41 -21.497 15.180 25.938 310 H SER 42 HN SER 42 -17.693 13.767 27.208 311 HA SER 42 HA SER 42 -15.195 15.160 27.839 312 HB2 SER 42 HB2 SER 42 -16.556 14.467 29.841 313 HB3 SER 42 HB1 SER 42 -16.393 12.796 29.311 314 HG SER 42 HG SER 42 -14.040 14.261 29.544 315 H GLU 43 HN GLU 43 -13.734 14.553 26.443 316 HA GLU 43 HA GLU 43 -13.831 11.839 25.347 317 HB2 GLU 43 HB2 GLU 43 -12.027 13.167 23.763 318 HB3 GLU 43 HB1 GLU 43 -13.729 12.953 23.396 319 HG2 GLU 43 HG2 GLU 43 -13.041 15.262 23.070 320 HG3 GLU 43 HG1 GLU 43 -14.223 15.142 24.372 321 H LEU 44 HN LEU 44 -10.977 13.852 25.199 322 HA LEU 44 HA LEU 44 -9.557 11.863 26.829 323 HB2 LEU 44 HB2 LEU 44 -8.572 13.511 24.509 324 HB3 LEU 44 HB1 LEU 44 -7.620 12.381 25.439 325 HG LEU 44 HG LEU 44 -9.975 11.653 23.704 326 HD11 LEU 44 HD11 LEU 44 -8.240 10.607 22.275 327 HD12 LEU 44 HD12 LEU 44 -7.011 11.393 23.265 328 HD13 LEU 44 HD13 LEU 44 -8.150 12.366 22.334 329 HD21 LEU 44 HD21 LEU 44 -9.709 10.127 25.579 330 HD22 LEU 44 HD22 LEU 44 -8.003 9.922 25.190 331 HD23 LEU 44 HD23 LEU 44 -9.238 9.345 24.071 332 H GLY 45 HN GLY 45 -9.989 15.244 25.978 333 HA2 GLY 45 HA2 GLY 45 -9.593 17.060 27.431 334 HA3 GLY 45 HA1 GLY 45 -8.561 16.024 28.416 335 H ASP 46 HN ASP 46 -8.702 18.215 25.776 336 HA ASP 46 HA ASP 46 -7.106 19.307 24.590 337 HB2 ASP 46 HB2 ASP 46 -5.689 19.381 26.585 338 HB3 ASP 46 HB1 ASP 46 -5.137 17.738 26.292 339 H THR 47 HN THR 47 -5.304 18.825 22.924 340 HA THR 47 HA THR 47 -4.577 17.767 21.082 341 HB THR 47 HB THR 47 -4.131 15.863 22.921 342 HG1 THR 47 HG1 THR 47 -3.269 14.588 21.084 343 HG21 THR 47 HG21 THR 47 -5.026 13.681 22.189 344 HG22 THR 47 HG22 THR 47 -6.049 14.503 21.006 345 HG23 THR 47 HG23 THR 47 -6.317 14.755 22.730 346 H GLU 48 HN GLU 48 -7.425 18.476 21.606 347 HA GLU 48 HA GLU 48 -9.205 16.806 20.209 348 HB2 GLU 48 HB2 GLU 48 -9.844 18.623 21.771 349 HB3 GLU 48 HB1 GLU 48 -9.324 19.810 20.588 350 HG2 GLU 48 HG2 GLU 48 -11.066 18.992 19.045 351 HG3 GLU 48 HG1 GLU 48 -11.587 17.844 20.279 352 H THR 49 HN THR 49 -7.000 19.312 19.117 353 HA THR 49 HA THR 49 -8.114 19.472 16.477 354 HB THR 49 HB THR 49 -5.979 20.815 16.036 355 HG1 THR 49 HG1 THR 49 -5.038 21.538 18.119 356 HG21 THR 49 HG21 THR 49 -8.121 21.885 16.523 357 HG22 THR 49 HG22 THR 49 -6.806 22.761 17.304 358 HG23 THR 49 HG23 THR 49 -7.838 21.689 18.252 359 H MET 50 HN MET 50 -6.306 17.135 17.946 360 HA MET 50 HA MET 50 -4.841 16.431 15.502 361 HB2 MET 50 HB2 MET 50 -4.483 15.554 18.369 362 HB3 MET 50 HB1 MET 50 -3.593 14.877 17.021 363 HG2 MET 50 HG2 MET 50 -3.517 17.742 17.944 364 HG3 MET 50 HG1 MET 50 -2.265 16.527 18.198 365 HE1 MET 50 HE1 MET 50 -0.936 15.917 14.584 366 HE2 MET 50 HE2 MET 50 -2.222 15.009 15.371 367 HE3 MET 50 HE3 MET 50 -0.797 15.491 16.287 368 H ARG 51 HN ARG 51 -7.782 15.964 16.359 369 HA ARG 51 HA ARG 51 -7.754 13.050 16.008 370 HB2 ARG 51 HB2 ARG 51 -9.438 14.802 17.682 371 HB3 ARG 51 HB1 ARG 51 -10.276 13.480 16.883 372 HG2 ARG 51 HG2 ARG 51 -9.528 12.934 19.160 373 HG3 ARG 51 HG1 ARG 51 -8.832 11.865 17.937 374 HD2 ARG 51 HD2 ARG 51 -6.797 13.314 17.978 375 HD3 ARG 51 HD1 ARG 51 -7.504 14.176 19.340 376 HE ARG 51 HE ARG 51 -7.490 11.961 20.494 377 HH11 ARG 51 HH11 ARG 51 -5.251 12.592 17.862 378 HH12 ARG 51 HH12 ARG 51 -4.023 11.550 18.490 379 HH21 ARG 51 HH21 ARG 51 -5.825 10.567 21.337 380 HH22 ARG 51 HH22 ARG 51 -4.351 10.403 20.455 381 H THR 52 HN THR 52 -8.233 15.714 14.280 382 HA THR 52 HA THR 52 -10.082 14.339 12.447 383 HB THR 52 HB THR 52 -11.219 16.504 11.956 384 HG1 THR 52 HG1 THR 52 -10.848 18.037 13.933 385 HG21 THR 52 HG21 THR 52 -12.259 14.940 13.541 386 HG22 THR 52 HG22 THR 52 -12.600 16.610 13.984 387 HG23 THR 52 HG23 THR 52 -11.375 15.691 14.868 388 HA PRO 53 HA PRO 53 -7.348 15.589 9.200 389 HB2 PRO 53 HB2 PRO 53 -9.683 16.579 7.666 390 HB3 PRO 53 HB1 PRO 53 -8.508 15.334 7.228 391 HG2 PRO 53 HG2 PRO 53 -10.986 14.670 7.934 392 HG3 PRO 53 HG1 PRO 53 -9.605 13.685 8.449 393 HD2 PRO 53 HD2 PRO 53 -11.172 15.708 9.999 394 HD3 PRO 53 HD1 PRO 53 -10.568 14.116 10.511 395 H GLY 54 HN GLY 54 -9.581 17.759 10.507 396 HA2 GLY 54 HA2 GLY 54 -8.285 19.906 11.101 397 HA3 GLY 54 HA1 GLY 54 -8.173 20.065 9.356 398 H TYR 55 HN TYR 55 -10.757 19.388 11.763 399 HA TYR 55 HA TYR 55 -12.130 21.747 10.945 400 HB2 TYR 55 HB2 TYR 55 -14.247 20.636 10.405 401 HB3 TYR 55 HB1 TYR 55 -12.986 20.181 9.269 402 HD1 TYR 55 HD1 TYR 55 -14.791 19.032 12.283 403 HD2 TYR 55 HD2 TYR 55 -12.519 17.907 8.895 404 HE1 TYR 55 HE1 TYR 55 -15.351 16.667 12.713 405 HE2 TYR 55 HE2 TYR 55 -13.054 15.531 9.309 406 HH TYR 55 HH TYR 55 -15.463 14.562 11.593 407 H PHE 56 HN PHE 56 -13.918 22.201 12.322 408 HA PHE 56 HA PHE 56 -13.732 20.836 14.925 409 HB2 PHE 56 HB2 PHE 56 -14.683 23.668 14.381 410 HB3 PHE 56 HB1 PHE 56 -14.556 22.883 15.957 411 HD1 PHE 56 HD2 PHE 56 -12.339 22.355 16.893 412 HD2 PHE 56 HD1 PHE 56 -12.796 24.625 13.328 413 HE1 PHE 56 HE2 PHE 56 -10.024 23.166 17.114 414 HE2 PHE 56 HE1 PHE 56 -10.488 25.435 13.538 415 HZ PHE 56 HZ PHE 56 -9.096 24.710 15.430 416 H PHE 57 HN PHE 57 -15.585 20.156 15.914 417 HA PHE 57 HA PHE 57 -17.849 19.721 14.156 418 HB2 PHE 57 HB2 PHE 57 -18.648 18.242 16.001 419 HB3 PHE 57 HB1 PHE 57 -17.039 17.821 15.453 420 HD1 PHE 57 HD2 PHE 57 -15.109 18.555 16.811 421 HD2 PHE 57 HD1 PHE 57 -19.114 18.763 18.177 422 HE1 PHE 57 HE2 PHE 57 -14.312 18.717 19.077 423 HE2 PHE 57 HE1 PHE 57 -18.327 18.910 20.472 424 HZ PHE 57 HZ PHE 57 -15.909 18.885 20.960 425 H GLN 58 HN GLN 58 -17.000 21.923 16.580 426 HA GLN 58 HA GLN 58 -18.046 23.673 17.542 427 HB2 GLN 58 HB2 GLN 58 -20.457 22.799 15.936 428 HB3 GLN 58 HB1 GLN 58 -20.428 24.205 16.982 429 HG2 GLN 58 HG2 GLN 58 -18.655 25.184 15.609 430 HG3 GLN 58 HG1 GLN 58 -18.708 23.772 14.554 431 HE21 GLN 58 HE21 GLN 58 -19.312 24.917 12.745 432 HE22 GLN 58 HE22 GLN 58 -20.866 25.654 12.565 433 H GLN 59 HN GLN 59 -17.903 23.076 19.589 434 HA GLN 59 HA GLN 59 -19.513 21.003 20.717 435 HB2 GLN 59 HB2 GLN 59 -17.210 21.550 21.495 436 HB3 GLN 59 HB1 GLN 59 -17.814 23.074 22.119 437 HG2 GLN 59 HG2 GLN 59 -19.303 21.844 23.636 438 HG3 GLN 59 HG1 GLN 59 -18.627 20.327 23.035 439 HE21 GLN 59 HE21 GLN 59 -16.502 19.787 23.561 440 HE22 GLN 59 HE22 GLN 59 -15.663 20.560 24.857 441 H ALA 60 HN ALA 60 -21.619 21.682 20.300 442 HA ALA 60 HA ALA 60 -22.743 23.312 22.386 443 HB1 ALA 60 HB1 ALA 60 -23.054 24.165 19.508 444 HB2 ALA 60 HB2 ALA 60 -22.165 25.037 20.757 445 HB3 ALA 60 HB3 ALA 60 -23.913 24.857 20.883 446 HA PRO 61 HA PRO 61 -25.642 19.929 21.773 447 HB2 PRO 61 HB2 PRO 61 -27.270 21.569 23.638 448 HB3 PRO 61 HB1 PRO 61 -26.774 19.879 23.767 449 HG2 PRO 61 HG2 PRO 61 -25.644 21.773 25.270 450 HG3 PRO 61 HG1 PRO 61 -24.696 20.418 24.624 451 HD2 PRO 61 HD2 PRO 61 -24.818 23.263 23.702 452 HD3 PRO 61 HD1 PRO 61 -23.437 22.151 23.787 453 H ASN 62 HN ASN 62 -26.364 23.325 21.422 454 HA ASN 62 HA ASN 62 -28.938 22.874 20.170 455 HB2 ASN 62 HB2 ASN 62 -29.059 25.297 19.931 456 HB3 ASN 62 HB1 ASN 62 -28.549 24.891 21.563 457 HD21 ASN 62 HD21 ASN 62 -26.459 25.392 22.216 458 HD22 ASN 62 HD22 ASN 62 -25.428 26.439 21.308 459 H ARG 63 HN ARG 63 -25.841 22.535 19.177 460 HA ARG 63 HA ARG 63 -26.484 23.171 16.379 461 HB2 ARG 63 HB2 ARG 63 -23.856 23.276 17.849 462 HB3 ARG 63 HB1 ARG 63 -23.946 23.242 16.096 463 HG2 ARG 63 HG2 ARG 63 -25.289 25.337 17.776 464 HG3 ARG 63 HG1 ARG 63 -23.655 25.495 17.124 465 HD2 ARG 63 HD2 ARG 63 -24.481 25.279 14.865 466 HD3 ARG 63 HD1 ARG 63 -26.108 24.966 15.455 467 HE ARG 63 HE ARG 63 -26.336 27.217 16.043 468 HH11 ARG 63 HH11 ARG 63 -23.164 26.608 14.610 469 HH12 ARG 63 HH12 ARG 63 -22.861 28.283 14.299 470 HH21 ARG 63 HH21 ARG 63 -25.912 29.411 15.646 471 HH22 ARG 63 HH22 ARG 63 -24.425 29.885 14.890 472 H ARG 64 HN ARG 64 -24.600 21.889 15.093 473 HA ARG 64 HA ARG 64 -25.328 19.164 15.200 474 HB2 ARG 64 HB2 ARG 64 -23.131 20.646 13.764 475 HB3 ARG 64 HB1 ARG 64 -23.550 18.964 13.466 476 HG2 ARG 64 HG2 ARG 64 -25.722 19.580 12.669 477 HG3 ARG 64 HG1 ARG 64 -25.469 21.257 13.151 478 HD2 ARG 64 HD2 ARG 64 -23.758 19.820 11.147 479 HD3 ARG 64 HD1 ARG 64 -25.166 20.791 10.709 480 HE ARG 64 HE ARG 64 -23.684 22.477 12.244 481 HH11 ARG 64 HH11 ARG 64 -22.969 20.547 9.391 482 HH12 ARG 64 HH12 ARG 64 -21.807 21.664 8.771 483 HH21 ARG 64 HH21 ARG 64 -22.138 23.957 11.412 484 HH22 ARG 64 HH22 ARG 64 -21.329 23.612 9.920 485 H ARG 65 HN ARG 65 -24.559 17.749 16.628 486 HA ARG 65 HA ARG 65 -22.363 18.398 18.339 487 HB2 ARG 65 HB2 ARG 65 -23.773 15.740 18.097 488 HB3 ARG 65 HB1 ARG 65 -22.816 16.310 19.447 489 HG2 ARG 65 HG2 ARG 65 -24.956 16.573 20.257 490 HG3 ARG 65 HG1 ARG 65 -24.649 18.176 19.591 491 HD2 ARG 65 HD2 ARG 65 -25.953 17.736 17.659 492 HD3 ARG 65 HD1 ARG 65 -25.983 16.005 17.980 493 HE ARG 65 HE ARG 65 -27.232 17.398 20.092 494 HH11 ARG 65 HH11 ARG 65 -27.744 16.536 16.724 495 HH12 ARG 65 HH12 ARG 65 -29.472 16.514 16.865 496 HH21 ARG 65 HH21 ARG 65 -29.521 17.345 20.257 497 HH22 ARG 65 HH22 ARG 65 -30.476 16.978 18.857 498 H ILE 66 HN ILE 66 -22.855 16.676 15.447 499 HA ILE 66 HA ILE 66 -20.038 15.961 15.310 500 HB ILE 66 HB ILE 66 -21.071 13.865 15.864 501 HG12 ILE 66 HG12 ILE 66 -20.757 13.835 12.861 502 HG13 ILE 66 HG11 ILE 66 -19.405 13.890 13.983 503 HG21 ILE 66 HG21 ILE 66 -23.078 14.400 13.685 504 HG22 ILE 66 HG22 ILE 66 -23.383 14.410 15.423 505 HG23 ILE 66 HG23 ILE 66 -22.949 12.908 14.608 506 HD11 ILE 66 HD11 ILE 66 -21.444 11.678 13.784 507 HD12 ILE 66 HD12 ILE 66 -20.082 11.728 14.905 508 HD13 ILE 66 HD13 ILE 66 -19.793 11.634 13.171 509 H SER 67 HN SER 67 -19.144 16.157 13.268 510 HA SER 67 HA SER 67 -20.219 18.121 11.611 511 HB2 SER 67 HB2 SER 67 -18.138 16.062 10.886 512 HB3 SER 67 HB1 SER 67 -18.377 17.636 10.128 513 HG SER 67 HG SER 67 -17.459 17.038 12.737 514 H ARG 68 HN ARG 68 -20.217 14.613 11.233 515 HA ARG 68 HA ARG 68 -21.801 14.854 8.798 516 HB2 ARG 68 HB2 ARG 68 -20.141 12.738 10.004 517 HB3 ARG 68 HB1 ARG 68 -21.601 12.170 9.205 518 HG2 ARG 68 HG2 ARG 68 -19.730 12.138 7.670 519 HG3 ARG 68 HG1 ARG 68 -20.923 13.326 7.149 520 HD2 ARG 68 HD2 ARG 68 -19.529 15.083 8.274 521 HD3 ARG 68 HD1 ARG 68 -18.295 13.849 8.539 522 HE ARG 68 HE ARG 68 -18.883 13.760 5.850 523 HH11 ARG 68 HH11 ARG 68 -17.590 16.130 8.087 524 HH12 ARG 68 HH12 ARG 68 -16.720 16.998 6.870 525 HH21 ARG 68 HH21 ARG 68 -17.742 14.921 4.226 526 HH22 ARG 68 HH22 ARG 68 -16.818 16.315 4.666 527 H GLU 69 HN GLU 69 -23.827 13.825 8.553 528 HA GLU 69 HA GLU 69 -25.453 14.180 10.863 529 HB2 GLU 69 HB2 GLU 69 -27.335 13.535 9.377 530 HB3 GLU 69 HB1 GLU 69 -26.359 14.839 8.726 531 HG2 GLU 69 HG2 GLU 69 -25.195 13.165 7.307 532 HG3 GLU 69 HG1 GLU 69 -26.328 11.952 7.900 533 H HIS 70 HN HIS 70 -26.273 12.776 12.200 534 HA HIS 70 HA HIS 70 -25.508 9.966 11.887 535 HB2 HIS 70 HB2 HIS 70 -24.527 10.976 13.856 536 HB3 HIS 70 HB1 HIS 70 -26.088 11.612 14.359 537 HD2 HIS 70 HD2 HIS 70 -27.593 9.909 15.913 538 HE1 HIS 70 HE1 HIS 70 -25.047 6.532 15.600 539 HE2 HIS 70 HE2 HIS 70 -27.257 7.396 16.416 540 H GLY 71 HN GLY 71 -27.051 8.525 11.526 541 HA2 GLY 71 HA2 GLY 71 -29.841 9.327 11.648 542 HA3 GLY 71 HA1 GLY 71 -29.211 7.801 11.044 543 H ARG 72 HN ARG 72 -29.825 6.120 12.211 544 HA ARG 72 HA ARG 72 -30.635 6.465 14.984 545 HB2 ARG 72 HB2 ARG 72 -30.662 4.025 13.208 546 HB3 ARG 72 HB1 ARG 72 -31.279 4.079 14.853 547 HG2 ARG 72 HG2 ARG 72 -32.325 5.755 12.586 548 HG3 ARG 72 HG1 ARG 72 -33.018 4.218 13.101 549 HD2 ARG 72 HD2 ARG 72 -33.491 5.144 15.300 550 HD3 ARG 72 HD1 ARG 72 -32.725 6.665 14.841 551 HE ARG 72 HE ARG 72 -34.607 6.371 12.946 552 HH11 ARG 72 HH11 ARG 72 -34.739 6.288 16.452 553 HH12 ARG 72 HH12 ARG 72 -36.381 6.812 16.535 554 HH21 ARG 72 HH21 ARG 72 -36.772 7.041 13.030 555 HH22 ARG 72 HH22 ARG 72 -37.560 7.238 14.566 556 H THR 73 HN THR 73 -28.930 3.733 13.664 557 HA THR 73 HA THR 73 -27.031 3.981 15.867 558 HB THR 73 HB THR 73 -26.840 1.482 15.563 559 HG1 THR 73 HG1 THR 73 -29.136 0.855 14.584 560 HG21 THR 73 HG21 THR 73 -28.093 2.471 17.418 561 HG22 THR 73 HG22 THR 73 -28.910 1.020 16.832 562 HG23 THR 73 HG23 THR 73 -29.516 2.617 16.390 563 H TRP 74 HN TRP 74 -27.121 4.742 12.787 564 HA TRP 74 HA TRP 74 -24.543 3.520 12.136 565 HB2 TRP 74 HB2 TRP 74 -25.048 3.921 9.765 566 HB3 TRP 74 HB1 TRP 74 -26.269 2.909 10.522 567 HD1 TRP 74 HD1 TRP 74 -28.745 3.966 10.784 568 HE1 TRP 74 HE1 TRP 74 -29.906 5.923 9.568 569 HE3 TRP 74 HE3 TRP 74 -24.628 6.242 8.747 570 HZ2 TRP 74 HZ2 TRP 74 -29.181 8.123 7.974 571 HZ3 TRP 74 HZ3 TRP 74 -24.955 8.266 7.391 572 HH2 TRP 74 HH2 TRP 74 -27.185 9.188 7.014 573 H THR 75 HN THR 75 -22.836 4.733 11.666 574 HA THR 75 HA THR 75 -23.145 7.659 11.601 575 HB THR 75 HB THR 75 -20.996 6.104 13.076 576 HG1 THR 75 HG1 THR 75 -23.330 7.469 13.927 577 HG21 THR 75 HG21 THR 75 -20.255 8.267 13.915 578 HG22 THR 75 HG22 THR 75 -21.531 9.080 12.998 579 HG23 THR 75 HG23 THR 75 -20.217 8.262 12.153 580 H LYS 76 HN LYS 76 -22.100 8.570 9.878 581 HA LYS 76 HA LYS 76 -20.317 6.839 8.343 582 HB2 LYS 76 HB2 LYS 76 -22.165 7.978 7.128 583 HB3 LYS 76 HB1 LYS 76 -21.482 9.535 7.568 584 HG2 LYS 76 HG2 LYS 76 -19.481 9.060 6.288 585 HG3 LYS 76 HG1 LYS 76 -20.088 7.449 5.901 586 HD2 LYS 76 HD2 LYS 76 -20.477 8.844 4.012 587 HD3 LYS 76 HD1 LYS 76 -22.034 8.543 4.781 588 HE2 LYS 76 HE2 LYS 76 -21.985 10.723 5.821 589 HE3 LYS 76 HE1 LYS 76 -20.365 11.019 5.191 590 HZ1 LYS 76 HZ1 LYS 76 -21.328 10.837 2.929 591 HZ2 LYS 76 HZ2 LYS 76 -21.933 12.130 3.817 592 HZ3 LYS 76 HZ3 LYS 76 -22.870 10.741 3.620 593 H LEU 77 HN LEU 77 -18.225 6.978 8.737 594 HA LEU 77 HA LEU 77 -17.207 9.379 10.061 595 HB2 LEU 77 HB2 LEU 77 -15.899 6.682 9.674 596 HB3 LEU 77 HB1 LEU 77 -15.262 8.005 10.630 597 HG LEU 77 HG LEU 77 -17.779 6.449 11.231 598 HD11 LEU 77 HD11 LEU 77 -15.736 5.168 11.629 599 HD12 LEU 77 HD12 LEU 77 -16.540 5.588 13.140 600 HD13 LEU 77 HD13 LEU 77 -15.112 6.484 12.627 601 HD21 LEU 77 HD21 LEU 77 -16.426 8.649 12.784 602 HD22 LEU 77 HD22 LEU 77 -17.806 7.696 13.331 603 HD23 LEU 77 HD23 LEU 77 -17.975 8.770 11.944 604 H THR 78 HN THR 78 -16.129 10.829 8.946 605 HA THR 78 HA THR 78 -14.976 10.045 6.363 606 HB THR 78 HB THR 78 -15.942 12.763 7.275 607 HG1 THR 78 HG1 THR 78 -17.356 10.754 6.572 608 HG21 THR 78 HG21 THR 78 -14.968 11.807 4.569 609 HG22 THR 78 HG22 THR 78 -14.117 12.923 5.641 610 HG23 THR 78 HG23 THR 78 -15.649 13.398 4.910 611 H TYR 79 HN TYR 79 -12.837 9.789 6.538 612 HA TYR 79 HA TYR 79 -11.329 11.605 8.319 613 HB2 TYR 79 HB2 TYR 79 -10.507 8.925 7.167 614 HB3 TYR 79 HB1 TYR 79 -9.533 9.918 8.241 615 HD1 TYR 79 HD2 TYR 79 -10.372 10.321 10.599 616 HD2 TYR 79 HD1 TYR 79 -12.103 7.413 8.019 617 HE1 TYR 79 HE2 TYR 79 -11.380 9.201 12.541 618 HE2 TYR 79 HE1 TYR 79 -13.115 6.289 9.952 619 HH TYR 79 HH TYR 79 -13.298 7.710 13.010 620 H ALA 80 HN ALA 80 -12.055 10.928 5.105 621 HA ALA 80 HA ALA 80 -11.403 11.773 3.118 622 HB1 ALA 80 HB1 ALA 80 -11.340 13.929 4.305 623 HB2 ALA 80 HB2 ALA 80 -10.143 13.830 3.011 624 HB3 ALA 80 HB3 ALA 80 -9.641 13.650 4.692 625 H ASN 81 HN ASN 81 -9.417 10.066 5.052 626 HA ASN 81 HA ASN 81 -7.321 9.897 2.998 627 HB2 ASN 81 HB2 ASN 81 -7.118 9.296 5.953 628 HB3 ASN 81 HB1 ASN 81 -5.845 8.992 4.786 629 HD21 ASN 81 HD21 ASN 81 -6.329 11.422 3.268 630 HD22 ASN 81 HD22 ASN 81 -5.750 12.727 4.241 631 H HIS 82 HN HIS 82 -7.013 8.031 2.057 632 HA HIS 82 HA HIS 82 -8.882 5.939 2.290 633 HB2 HIS 82 HB2 HIS 82 -7.694 6.450 0.201 634 HB3 HIS 82 HB1 HIS 82 -6.178 5.941 0.933 635 HD2 HIS 82 HD2 HIS 82 -9.649 4.065 0.454 636 HE1 HIS 82 HE1 HIS 82 -6.459 1.480 -0.585 637 HE2 HIS 82 HE2 HIS 82 -8.947 1.701 -0.318 638 H SER 83 HN SER 83 -5.658 6.420 3.576 639 HA SER 83 HA SER 83 -5.127 3.825 4.469 640 HB2 SER 83 HB2 SER 83 -3.434 5.607 4.368 641 HB3 SER 83 HB1 SER 83 -4.254 6.469 5.667 642 HG SER 83 HG SER 83 -2.431 5.174 6.309 643 H SER 84 HN SER 84 -6.593 6.566 6.246 644 HA SER 84 HA SER 84 -7.152 5.104 8.603 645 HB2 SER 84 HB2 SER 84 -8.580 7.569 7.572 646 HB3 SER 84 HB1 SER 84 -8.493 7.012 9.243 647 HG SER 84 HG SER 84 -6.602 7.920 9.429 648 H TYR 85 HN TYR 85 -8.910 5.744 5.674 649 HA TYR 85 HA TYR 85 -11.477 4.867 6.306 650 HB2 TYR 85 HB2 TYR 85 -11.173 6.059 4.311 651 HB3 TYR 85 HB1 TYR 85 -9.834 5.049 3.801 652 HD1 TYR 85 HD1 TYR 85 -13.494 5.324 3.987 653 HD2 TYR 85 HD2 TYR 85 -10.214 3.012 2.604 654 HE1 TYR 85 HE1 TYR 85 -15.002 4.062 2.510 655 HE2 TYR 85 HE2 TYR 85 -11.703 1.740 1.132 656 HH TYR 85 HH TYR 85 -14.038 1.199 0.892 657 H LEU 86 HN LEU 86 -8.776 3.044 4.861 658 HA LEU 86 HA LEU 86 -10.205 0.650 4.659 659 HB2 LEU 86 HB2 LEU 86 -8.298 1.260 3.261 660 HB3 LEU 86 HB1 LEU 86 -7.248 1.198 4.660 661 HG LEU 86 HG LEU 86 -7.622 -1.161 4.872 662 HD11 LEU 86 HD11 LEU 86 -9.355 -0.842 2.423 663 HD12 LEU 86 HD12 LEU 86 -9.880 -1.350 4.029 664 HD13 LEU 86 HD13 LEU 86 -8.823 -2.391 3.075 665 HD21 LEU 86 HD21 LEU 86 -6.834 -0.286 2.105 666 HD22 LEU 86 HD22 LEU 86 -6.482 -1.871 2.794 667 HD23 LEU 86 HD23 LEU 86 -5.775 -0.421 3.508 668 H ARG 87 HN ARG 87 -8.031 1.966 7.103 669 HA ARG 87 HA ARG 87 -7.783 -0.412 8.634 670 HB2 ARG 87 HB2 ARG 87 -7.324 2.486 9.343 671 HB3 ARG 87 HB1 ARG 87 -6.966 1.150 10.430 672 HG2 ARG 87 HG2 ARG 87 -5.360 0.250 8.852 673 HG3 ARG 87 HG1 ARG 87 -5.756 1.521 7.695 674 HD2 ARG 87 HD2 ARG 87 -4.958 3.206 9.278 675 HD3 ARG 87 HD1 ARG 87 -4.559 1.930 10.432 676 HE ARG 87 HE ARG 87 -3.219 1.273 8.134 677 HH11 ARG 87 HH11 ARG 87 -3.238 4.014 10.333 678 HH12 ARG 87 HH12 ARG 87 -1.595 4.447 9.994 679 HH21 ARG 87 HH21 ARG 87 -1.037 1.850 7.718 680 HH22 ARG 87 HH22 ARG 87 -0.350 3.222 8.526 681 H ALA 88 HN ALA 88 -10.297 1.919 8.404 682 HA ALA 88 HA ALA 88 -11.427 1.712 10.975 683 HB1 ALA 88 HB1 ALA 88 -13.441 2.636 9.992 684 HB2 ALA 88 HB2 ALA 88 -12.848 2.260 8.374 685 HB3 ALA 88 HB3 ALA 88 -12.023 3.470 9.359 686 H LEU 89 HN LEU 89 -11.499 -0.429 8.263 687 HA LEU 89 HA LEU 89 -13.846 -1.894 8.996 688 HB2 LEU 89 HB2 LEU 89 -11.664 -2.289 6.988 689 HB3 LEU 89 HB1 LEU 89 -12.758 -3.606 7.343 690 HG LEU 89 HG LEU 89 -14.663 -2.167 6.658 691 HD11 LEU 89 HD11 LEU 89 -12.510 -0.242 5.801 692 HD12 LEU 89 HD12 LEU 89 -13.700 0.019 7.078 693 HD13 LEU 89 HD13 LEU 89 -14.226 -0.120 5.400 694 HD21 LEU 89 HD21 LEU 89 -12.503 -2.493 4.580 695 HD22 LEU 89 HD22 LEU 89 -14.231 -2.307 4.268 696 HD23 LEU 89 HD23 LEU 89 -13.630 -3.742 5.102 697 H ARG 90 HN ARG 90 -10.899 -1.743 10.396 698 HA ARG 90 HA ARG 90 -10.033 -4.319 10.878 699 HB2 ARG 90 HB2 ARG 90 -8.692 -3.409 12.543 700 HB3 ARG 90 HB1 ARG 90 -9.012 -2.031 11.503 701 HG2 ARG 90 HG2 ARG 90 -10.893 -1.449 13.145 702 HG3 ARG 90 HG1 ARG 90 -10.141 -2.632 14.210 703 HD2 ARG 90 HD2 ARG 90 -8.867 -0.145 13.082 704 HD3 ARG 90 HD1 ARG 90 -9.304 -0.447 14.764 705 HE ARG 90 HE ARG 90 -7.395 -2.288 13.565 706 HH11 ARG 90 HH11 ARG 90 -7.896 0.516 15.623 707 HH12 ARG 90 HH12 ARG 90 -6.292 0.483 16.269 708 HH21 ARG 90 HH21 ARG 90 -5.261 -2.306 14.413 709 HH22 ARG 90 HH22 ARG 90 -4.793 -1.115 15.578 710 H GLU 91 HN GLU 91 -10.506 -5.924 12.278 711 HA GLU 91 HA GLU 91 -13.131 -5.977 13.530 712 HB2 GLU 91 HB2 GLU 91 -10.905 -8.022 13.406 713 HB3 GLU 91 HB1 GLU 91 -12.480 -8.303 14.134 714 HG2 GLU 91 HG2 GLU 91 -13.552 -7.908 11.968 715 HG3 GLU 91 HG1 GLU 91 -11.967 -7.642 11.245 716 H HIS 92 HN HIS 92 -10.311 -4.677 14.454 717 HA HIS 92 HA HIS 92 -10.169 -5.524 17.159 718 HB2 HIS 92 HB2 HIS 92 -9.135 -3.004 15.828 719 HB3 HIS 92 HB1 HIS 92 -8.803 -3.445 17.497 720 HD2 HIS 92 HD2 HIS 92 -7.125 -5.775 17.787 721 HE1 HIS 92 HE1 HIS 92 -5.775 -5.652 13.770 722 HE2 HIS 92 HE2 HIS 92 -5.323 -6.518 16.087 723 H GLY 93 HN GLY 93 -12.261 -3.430 15.422 724 HA2 GLY 93 HA2 GLY 93 -13.247 -1.868 17.568 725 HA3 GLY 93 HA1 GLY 93 -14.144 -2.289 16.106 726 H THR 94 HN THR 94 -14.197 -4.949 16.173 727 HA THR 94 HA THR 94 -15.172 -6.816 16.938 728 HB THR 94 HB THR 94 -13.160 -6.520 18.330 729 HG1 THR 94 HG1 THR 94 -14.242 -8.527 18.261 730 HG21 THR 94 HG21 THR 94 -13.833 -4.814 19.858 731 HG22 THR 94 HG22 THR 94 -13.494 -6.277 20.794 732 HG23 THR 94 HG23 THR 94 -15.165 -5.804 20.463 733 H ILE 95 HN ILE 95 -16.305 -7.591 19.319 734 HA ILE 95 HA ILE 95 -18.952 -6.537 19.044 735 HB ILE 95 HB ILE 95 -17.811 -8.488 21.059 736 HG12 ILE 95 HG12 ILE 95 -19.491 -9.020 18.599 737 HG13 ILE 95 HG11 ILE 95 -17.741 -9.189 18.655 738 HG21 ILE 95 HG21 ILE 95 -19.845 -7.386 21.883 739 HG22 ILE 95 HG22 ILE 95 -20.116 -9.095 21.554 740 HG23 ILE 95 HG23 ILE 95 -20.704 -7.879 20.421 741 HD11 ILE 95 HD11 ILE 95 -19.718 -10.745 20.307 742 HD12 ILE 95 HD12 ILE 95 -17.965 -10.918 20.362 743 HD13 ILE 95 HD13 ILE 95 -18.851 -11.332 18.891 744 H TYR 96 HN TYR 96 -19.233 -4.542 19.735 745 HA TYR 96 HA TYR 96 -18.179 -3.843 22.376 746 HB2 TYR 96 HB2 TYR 96 -17.602 -2.524 20.152 747 HB3 TYR 96 HB1 TYR 96 -19.163 -1.770 20.463 748 HD1 TYR 96 HD2 TYR 96 -19.514 -0.724 22.784 749 HD2 TYR 96 HD1 TYR 96 -15.711 -1.832 21.256 750 HE1 TYR 96 HE2 TYR 96 -18.438 0.691 24.477 751 HE2 TYR 96 HE1 TYR 96 -14.612 -0.436 22.958 752 HH TYR 96 HH TYR 96 -16.203 0.725 25.645 753 H CYS 97 HN CYS 97 -19.608 -3.477 23.960 754 HA CYS 97 HA CYS 97 -21.517 -3.019 25.098 755 HB2 CYS 97 HB2 CYS 97 -21.759 -1.075 23.578 756 HB3 CYS 97 HB1 CYS 97 -22.650 -2.087 22.450 757 HG CYS 97 HG CYS 97 -24.138 -2.351 25.332 758 H GLY 98 HN GLY 98 -21.909 -4.762 22.083 759 HA2 GLY 98 HA2 GLY 98 -22.994 -7.054 23.169 760 HA3 GLY 98 HA1 GLY 98 -24.365 -6.022 22.781 761 H ALA 99 HN ALA 99 -22.537 -4.966 20.467 762 HA ALA 99 HA ALA 99 -22.873 -7.279 18.692 763 HB1 ALA 99 HB1 ALA 99 -24.814 -5.871 18.354 764 HB2 ALA 99 HB2 ALA 99 -23.752 -5.761 16.949 765 HB3 ALA 99 HB3 ALA 99 -23.785 -4.455 18.131 766 H ALA 100 HN ALA 100 -21.540 -7.257 16.813 767 HA ALA 100 HA ALA 100 -18.937 -6.163 17.249 768 HB1 ALA 100 HB1 ALA 100 -18.357 -7.159 15.078 769 HB2 ALA 100 HB2 ALA 100 -20.063 -7.525 14.795 770 HB3 ALA 100 HB3 ALA 100 -19.200 -8.307 16.118 771 H ILE 101 HN ILE 101 -17.809 -4.676 15.943 772 HA ILE 101 HA ILE 101 -19.480 -2.481 15.124 773 HB ILE 101 HB ILE 101 -16.488 -2.660 14.819 774 HG12 ILE 101 HG12 ILE 101 -18.050 -2.448 17.336 775 HG13 ILE 101 HG11 ILE 101 -16.448 -3.037 17.026 776 HG21 ILE 101 HG21 ILE 101 -18.350 -0.323 15.226 777 HG22 ILE 101 HG22 ILE 101 -17.542 -0.769 13.717 778 HG23 ILE 101 HG23 ILE 101 -16.595 -0.222 15.105 779 HD11 ILE 101 HD11 ILE 101 -15.540 -0.824 16.922 780 HD12 ILE 101 HD12 ILE 101 -16.412 -1.046 18.442 781 HD13 ILE 101 HD13 ILE 101 -17.139 -0.119 17.126 782 H GLY 102 HN GLY 102 -20.210 -2.276 13.136 783 HA2 GLY 102 HA2 GLY 102 -18.908 -3.806 10.992 784 HA3 GLY 102 HA1 GLY 102 -20.592 -3.302 11.006 785 H CYS 103 HN CYS 103 -17.432 -2.527 10.078 786 HA CYS 103 HA CYS 103 -18.269 0.157 9.240 787 HB2 CYS 103 HB2 CYS 103 -15.471 -0.941 9.273 788 HB3 CYS 103 HB1 CYS 103 -15.965 0.740 9.148 789 HG CYS 103 HG CYS 103 -14.739 -0.071 11.669 790 H VAL 104 HN VAL 104 -19.036 0.104 7.225 791 HA VAL 104 HA VAL 104 -17.727 -1.698 5.303 792 HB VAL 104 HB VAL 104 -19.815 -1.656 3.994 793 HG11 VAL 104 HG11 VAL 104 -21.197 -3.015 5.512 794 HG12 VAL 104 HG12 VAL 104 -20.195 -2.489 6.865 795 HG13 VAL 104 HG13 VAL 104 -19.495 -3.465 5.574 796 HG21 VAL 104 HG21 VAL 104 -21.878 -0.737 4.999 797 HG22 VAL 104 HG22 VAL 104 -20.685 0.509 4.640 798 HG23 VAL 104 HG23 VAL 104 -20.905 -0.044 6.298 799 HA PRO 105 HA PRO 105 -16.503 1.738 2.770 800 HB2 PRO 105 HB2 PRO 105 -17.616 0.329 0.417 801 HB3 PRO 105 HB1 PRO 105 -15.955 0.840 0.736 802 HG2 PRO 105 HG2 PRO 105 -16.666 -1.741 0.830 803 HG3 PRO 105 HG1 PRO 105 -15.461 -1.063 1.942 804 HD2 PRO 105 HD2 PRO 105 -18.335 -1.730 2.426 805 HD3 PRO 105 HD1 PRO 105 -16.929 -1.956 3.485 806 H TYR 106 HN TYR 106 -17.385 3.545 1.720 807 HA TYR 106 HA TYR 106 -20.039 4.149 2.335 808 HB2 TYR 106 HB2 TYR 106 -18.303 5.864 1.985 809 HB3 TYR 106 HB1 TYR 106 -18.277 5.482 0.269 810 HD1 TYR 106 HD1 TYR 106 -20.388 6.837 2.980 811 HD2 TYR 106 HD2 TYR 106 -19.869 6.438 -1.220 812 HE1 TYR 106 HE1 TYR 106 -22.181 8.477 2.617 813 HE2 TYR 106 HE2 TYR 106 -21.666 8.073 -1.602 814 HH TYR 106 HH TYR 106 -23.581 9.014 -0.472 815 H LYS 107 HN LYS 107 -21.784 3.321 1.504 816 HA LYS 107 HA LYS 107 -21.901 2.790 -1.382 817 HB2 LYS 107 HB2 LYS 107 -23.283 1.335 0.883 818 HB3 LYS 107 HB1 LYS 107 -23.616 1.063 -0.821 819 HG2 LYS 107 HG2 LYS 107 -21.332 0.313 -1.167 820 HG3 LYS 107 HG1 LYS 107 -20.963 0.634 0.527 821 HD2 LYS 107 HD2 LYS 107 -22.628 -1.025 1.200 822 HD3 LYS 107 HD1 LYS 107 -22.991 -1.356 -0.492 823 HE2 LYS 107 HE2 LYS 107 -20.680 -2.086 -0.838 824 HE3 LYS 107 HE1 LYS 107 -20.325 -1.739 0.854 825 HZ1 LYS 107 HZ1 LYS 107 -22.226 -3.784 -0.161 826 HZ2 LYS 107 HZ2 LYS 107 -21.978 -3.420 1.471 827 HZ3 LYS 107 HZ3 LYS 107 -20.723 -4.073 0.553 828 H HIS 108 HN HIS 108 -23.173 4.155 -2.376 829 HA HIS 108 HA HIS 108 -24.711 6.084 -1.056 830 HB2 HIS 108 HB2 HIS 108 -23.787 6.423 -3.303 831 HB3 HIS 108 HB1 HIS 108 -24.880 5.202 -3.947 832 HD2 HIS 108 HD2 HIS 108 -27.226 6.224 -4.847 833 HE1 HIS 108 HE1 HIS 108 -27.006 9.998 -2.936 834 HE2 HIS 108 HE2 HIS 108 -28.413 8.459 -4.340 835 H GLU 109 HN GLU 109 -25.684 3.039 -2.572 836 HA GLU 109 HA GLU 109 -28.468 3.423 -2.384 837 HB2 GLU 109 HB2 GLU 109 -27.376 1.674 -3.762 838 HB3 GLU 109 HB1 GLU 109 -26.928 0.823 -2.290 839 HG2 GLU 109 HG2 GLU 109 -28.837 -0.269 -3.093 840 HG3 GLU 109 HG1 GLU 109 -29.381 0.741 -1.747 841 H LEU 110 HN LEU 110 -26.118 1.955 -0.180 842 HA LEU 110 HA LEU 110 -27.938 1.060 1.772 843 HB2 LEU 110 HB2 LEU 110 -25.607 0.308 1.686 844 HB3 LEU 110 HB1 LEU 110 -25.056 1.925 2.075 845 HG LEU 110 HG LEU 110 -26.172 1.726 4.289 846 HD11 LEU 110 HD11 LEU 110 -26.607 -1.133 3.448 847 HD12 LEU 110 HD12 LEU 110 -27.861 0.075 3.725 848 HD13 LEU 110 HD13 LEU 110 -26.865 -0.482 5.066 849 HD21 LEU 110 HD21 LEU 110 -24.165 -0.437 3.678 850 HD22 LEU 110 HD22 LEU 110 -24.506 0.257 5.266 851 HD23 LEU 110 HD23 LEU 110 -23.785 1.250 4.000 852 H ILE 111 HN ILE 111 -26.177 4.091 1.378 853 HA ILE 111 HA ILE 111 -26.992 5.336 3.751 854 HB ILE 111 HB ILE 111 -26.217 6.498 1.068 855 HG12 ILE 111 HG12 ILE 111 -24.473 5.201 2.218 856 HG13 ILE 111 HG11 ILE 111 -24.058 6.902 2.108 857 HG21 ILE 111 HG21 ILE 111 -26.527 7.944 3.700 858 HG22 ILE 111 HG22 ILE 111 -27.563 8.129 2.287 859 HG23 ILE 111 HG23 ILE 111 -25.875 8.636 2.214 860 HD11 ILE 111 HD11 ILE 111 -24.774 7.188 4.459 861 HD12 ILE 111 HD12 ILE 111 -23.446 6.045 4.272 862 HD13 ILE 111 HD13 ILE 111 -25.083 5.451 4.543 863 H SER 112 HN SER 112 -28.412 5.258 0.514 864 HA SER 112 HA SER 112 -30.467 7.109 0.926 865 HB2 SER 112 HB2 SER 112 -29.656 6.013 -1.254 866 HB3 SER 112 HB1 SER 112 -30.715 4.676 -0.835 867 HG SER 112 HG SER 112 -31.356 7.297 -1.583 868 H GLU 113 HN GLU 113 -30.514 3.541 1.263 869 HA GLU 113 HA GLU 113 -33.198 3.430 2.135 870 HB2 GLU 113 HB2 GLU 113 -30.918 1.527 2.640 871 HB3 GLU 113 HB1 GLU 113 -32.570 1.200 3.135 872 HG2 GLU 113 HG2 GLU 113 -33.253 1.388 0.761 873 HG3 GLU 113 HG1 GLU 113 -31.552 1.559 0.330 874 H LEU 114 HN LEU 114 -30.188 3.751 3.955 875 HA LEU 114 HA LEU 114 -31.298 3.553 6.522 876 HB2 LEU 114 HB2 LEU 114 -28.844 4.964 5.538 877 HB3 LEU 114 HB1 LEU 114 -29.253 4.789 7.232 878 HG LEU 114 HG LEU 114 -28.697 2.534 5.313 879 HD11 LEU 114 HD11 LEU 114 -27.096 3.662 7.579 880 HD12 LEU 114 HD12 LEU 114 -26.726 3.813 5.861 881 HD13 LEU 114 HD13 LEU 114 -26.678 2.229 6.639 882 HD21 LEU 114 HD21 LEU 114 -28.720 1.133 7.344 883 HD22 LEU 114 HD22 LEU 114 -30.294 1.836 6.984 884 HD23 LEU 114 HD23 LEU 114 -29.297 2.516 8.271 885 H SER 115 HN SER 115 -30.719 6.358 4.425 886 HA SER 115 HA SER 115 -31.527 8.306 6.299 887 HB2 SER 115 HB2 SER 115 -31.528 8.468 3.277 888 HB3 SER 115 HB1 SER 115 -31.597 9.837 4.388 889 HG SER 115 HG SER 115 -29.461 8.060 3.877 890 H ARG 116 HN ARG 116 -33.300 6.528 3.806 891 HA ARG 116 HA ARG 116 -35.718 7.982 3.987 892 HB2 ARG 116 HB2 ARG 116 -35.176 5.147 3.101 893 HB3 ARG 116 HB1 ARG 116 -36.741 5.935 2.953 894 HG2 ARG 116 HG2 ARG 116 -35.796 7.612 1.491 895 HG3 ARG 116 HG1 ARG 116 -34.192 6.903 1.682 896 HD2 ARG 116 HD2 ARG 116 -35.033 4.812 0.682 897 HD3 ARG 116 HD1 ARG 116 -36.605 5.582 0.452 898 HE ARG 116 HE ARG 116 -34.837 7.246 -0.784 899 HH11 ARG 116 HH11 ARG 116 -35.713 3.866 -1.111 900 HH12 ARG 116 HH12 ARG 116 -35.223 3.759 -2.761 901 HH21 ARG 116 HH21 ARG 116 -34.233 7.127 -2.996 902 HH22 ARG 116 HH22 ARG 116 -34.389 5.629 -3.844 903 H GLU 117 HN GLU 117 -34.555 5.098 5.634 904 HA GLU 117 HA GLU 117 -35.187 4.027 7.532 905 HB2 GLU 117 HB2 GLU 117 -34.757 6.364 8.383 906 HB3 GLU 117 HB1 GLU 117 -36.488 6.642 8.291 907 HG2 GLU 117 HG2 GLU 117 -36.865 4.843 9.897 908 HG3 GLU 117 HG1 GLU 117 -35.125 4.574 9.995 909 H GLY 118 HN GLY 118 -36.948 3.736 5.315 910 HA2 GLY 118 HA2 GLY 118 -38.862 2.338 5.243 911 HA3 GLY 118 HA1 GLY 118 -39.342 2.972 6.804 912 H HIS 119 HN HIS 119 -38.430 5.522 4.855 913 HA HIS 119 HA HIS 119 -41.150 6.347 4.451 914 HB2 HIS 119 HB2 HIS 119 -39.482 8.052 4.904 915 HB3 HIS 119 HB1 HIS 119 -38.524 7.543 3.520 916 HD2 HIS 119 HD2 HIS 119 -39.286 8.659 1.079 917 HE1 HIS 119 HE1 HIS 119 -42.559 10.894 2.568 918 HE2 HIS 119 HE2 HIS 119 -41.118 10.415 0.575 919 H HIS 120 HN HIS 120 -42.374 5.537 2.896 920 HA HIS 120 HA HIS 120 -41.134 4.988 0.283 921 HB2 HIS 120 HB2 HIS 120 -43.370 3.388 1.558 922 HB3 HIS 120 HB1 HIS 120 -42.664 3.101 -0.023 923 HD2 HIS 120 HD2 HIS 120 -42.305 1.895 3.519 924 HE1 HIS 120 HE1 HIS 120 -38.704 0.817 1.559 925 HE2 HIS 120 HE2 HIS 120 -40.210 0.397 3.534 926 H HIS 121 HN HIS 121 -43.282 4.478 -1.206 927 HA HIS 121 HA HIS 121 -44.791 6.983 -1.080 928 HB2 HIS 121 HB2 HIS 121 -44.276 5.071 -3.370 929 HB3 HIS 121 HB1 HIS 121 -45.305 6.494 -3.485 930 HD2 HIS 121 HD2 HIS 121 -43.886 8.978 -3.307 931 HE1 HIS 121 HE1 HIS 121 -40.107 7.224 -4.089 932 HE2 HIS 121 HE2 HIS 121 -41.357 9.361 -3.657 933 H HIS 122 HN HIS 122 -47.073 6.665 -2.163 934 HA HIS 122 HA HIS 122 -48.510 4.915 -0.428 935 HB2 HIS 122 HB2 HIS 122 -49.488 6.423 -2.869 936 HB3 HIS 122 HB1 HIS 122 -50.516 5.658 -1.666 937 HD2 HIS 122 HD2 HIS 122 -49.198 6.878 1.049 938 HE1 HIS 122 HE1 HIS 122 -49.823 10.649 -0.781 939 HE2 HIS 122 HE2 HIS 122 -49.576 9.414 1.392 940 H HIS 123 HN HIS 123 -48.243 2.805 -0.699 941 HA HIS 123 HA HIS 123 -48.057 1.668 -3.376 942 HB2 HIS 123 HB2 HIS 123 -47.294 -0.361 -2.281 943 HB3 HIS 123 HB1 HIS 123 -46.414 1.019 -1.631 944 HD2 HIS 123 HD2 HIS 123 -48.128 -2.022 -0.322 945 HE1 HIS 123 HE1 HIS 123 -48.436 0.819 2.812 946 HE2 HIS 123 HE2 HIS 123 -48.400 -1.623 2.217 947 H HIS 124 HN HIS 124 -50.263 1.759 -0.674 948 HA HIS 124 HA HIS 124 -51.985 -0.193 -2.040 949 HB2 HIS 124 HB2 HIS 124 -51.330 -0.847 0.249 950 HB3 HIS 124 HB1 HIS 124 -52.011 0.653 0.871 951 HD2 HIS 124 HD2 HIS 124 -53.385 -2.593 -0.942 952 HE1 HIS 124 HE1 HIS 124 -56.407 -0.974 1.552 953 HE2 HIS 124 HE2 HIS 124 -55.669 -2.964 0.206 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -9.221 22.350 -6.412 2 H2 MET 1 HT2 MET 1 -9.242 22.650 -4.750 3 H3 MET 1 HT3 MET 1 -7.871 23.027 -5.655 4 HA MET 1 HA MET 1 -9.129 24.988 -5.087 5 HB2 MET 1 HB2 MET 1 -7.800 24.958 -7.156 6 HB3 MET 1 HB1 MET 1 -9.175 24.316 -8.041 7 HG2 MET 1 HG2 MET 1 -10.434 26.367 -7.546 8 HG3 MET 1 HG1 MET 1 -9.020 27.014 -6.712 9 HE1 MET 1 HE1 MET 1 -10.534 28.551 -9.035 10 HE2 MET 1 HE2 MET 1 -9.188 29.147 -9.998 11 HE3 MET 1 HE3 MET 1 -9.105 29.204 -8.237 12 H SER 2 HN SER 2 -10.962 23.097 -7.507 13 HA SER 2 HA SER 2 -13.345 24.562 -6.798 14 HB2 SER 2 HB2 SER 2 -12.994 22.337 -8.812 15 HB3 SER 2 HB1 SER 2 -14.382 23.420 -8.679 16 HG SER 2 HG SER 2 -12.230 23.787 -10.112 17 H LEU 3 HN LEU 3 -13.979 23.949 -4.797 18 HA LEU 3 HA LEU 3 -14.962 22.766 -3.154 19 HB2 LEU 3 HB2 LEU 3 -16.052 21.368 -5.576 20 HB3 LEU 3 HB1 LEU 3 -16.512 20.861 -3.965 21 HG LEU 3 HG LEU 3 -17.335 23.222 -3.575 22 HD11 LEU 3 HD11 LEU 3 -16.130 24.378 -5.313 23 HD12 LEU 3 HD12 LEU 3 -17.863 24.549 -5.588 24 HD13 LEU 3 HD13 LEU 3 -16.921 23.413 -6.554 25 HD21 LEU 3 HD21 LEU 3 -18.645 21.632 -5.778 26 HD22 LEU 3 HD22 LEU 3 -19.427 22.860 -4.782 27 HD23 LEU 3 HD23 LEU 3 -18.846 21.367 -4.045 28 H GLY 4 HN GLY 4 -14.702 19.858 -5.111 29 HA2 GLY 4 HA2 GLY 4 -12.659 18.438 -4.767 30 HA3 GLY 4 HA1 GLY 4 -12.893 18.754 -3.052 31 H SER 5 HN SER 5 -15.836 18.696 -3.554 32 HA SER 5 HA SER 5 -17.610 17.335 -3.350 33 HB2 SER 5 HB2 SER 5 -17.866 15.388 -4.755 34 HB3 SER 5 HB1 SER 5 -16.985 16.607 -5.674 35 HG SER 5 HG SER 5 -15.043 15.470 -5.049 36 H GLU 6 HN GLU 6 -14.670 15.416 -2.838 37 HA GLU 6 HA GLU 6 -14.040 13.943 -1.255 38 HB2 GLU 6 HB2 GLU 6 -14.685 15.910 0.201 39 HB3 GLU 6 HB1 GLU 6 -16.239 15.130 0.438 40 HG2 GLU 6 HG2 GLU 6 -15.100 13.206 1.457 41 HG3 GLU 6 HG1 GLU 6 -13.553 14.027 1.239 42 H SER 7 HN SER 7 -15.755 13.006 -3.223 43 HA SER 7 HA SER 7 -17.483 11.156 -1.822 44 HB2 SER 7 HB2 SER 7 -18.692 11.051 -4.004 45 HB3 SER 7 HB1 SER 7 -18.740 12.642 -3.263 46 HG SER 7 HG SER 7 -17.052 13.278 -4.694 47 H GLU 8 HN GLU 8 -17.669 9.735 -4.419 48 HA GLU 8 HA GLU 8 -16.802 7.828 -5.344 49 HB2 GLU 8 HB2 GLU 8 -14.305 9.522 -5.191 50 HB3 GLU 8 HB1 GLU 8 -14.408 8.009 -6.075 51 HG2 GLU 8 HG2 GLU 8 -16.112 10.432 -6.596 52 HG3 GLU 8 HG1 GLU 8 -14.684 9.957 -7.522 53 H THR 9 HN THR 9 -17.000 7.909 -2.511 54 HA THR 9 HA THR 9 -16.622 6.577 -0.737 55 HB THR 9 HB THR 9 -14.587 5.069 -2.390 56 HG1 THR 9 HG1 THR 9 -16.346 4.699 -3.575 57 HG21 THR 9 HG21 THR 9 -16.289 4.251 -0.024 58 HG22 THR 9 HG22 THR 9 -14.562 4.604 0.023 59 HG23 THR 9 HG23 THR 9 -15.151 3.211 -0.881 60 H GLY 10 HN GLY 10 -13.468 6.751 -2.315 61 HA2 GLY 10 HA2 GLY 10 -11.407 7.414 -1.521 62 HA3 GLY 10 HA1 GLY 10 -12.301 8.713 -0.744 63 H ASN 11 HN ASN 11 -11.908 8.865 1.319 64 HA ASN 11 HA ASN 11 -11.239 6.438 2.834 65 HB2 ASN 11 HB2 ASN 11 -10.112 7.948 4.446 66 HB3 ASN 11 HB1 ASN 11 -9.426 8.080 2.829 67 HD21 ASN 11 HD21 ASN 11 -9.658 9.976 1.693 68 HD22 ASN 11 HD22 ASN 11 -10.246 11.433 2.413 69 H ALA 12 HN ALA 12 -13.891 7.898 2.144 70 HA ALA 12 HA ALA 12 -14.859 8.482 4.822 71 HB1 ALA 12 HB1 ALA 12 -16.898 9.220 3.721 72 HB2 ALA 12 HB2 ALA 12 -16.301 8.611 2.177 73 HB3 ALA 12 HB3 ALA 12 -15.489 9.967 2.959 74 H VAL 13 HN VAL 13 -16.070 7.134 5.986 75 HA VAL 13 HA VAL 13 -17.077 4.677 4.723 76 HB VAL 13 HB VAL 13 -16.418 3.406 6.758 77 HG11 VAL 13 HG11 VAL 13 -15.010 3.332 4.766 78 HG12 VAL 13 HG12 VAL 13 -14.039 3.237 6.233 79 HG13 VAL 13 HG13 VAL 13 -14.126 4.749 5.331 80 HG21 VAL 13 HG21 VAL 13 -16.288 5.257 8.339 81 HG22 VAL 13 HG22 VAL 13 -14.915 5.932 7.463 82 HG23 VAL 13 HG23 VAL 13 -14.757 4.385 8.291 83 H VAL 14 HN VAL 14 -18.711 3.585 5.950 84 HA VAL 14 HA VAL 14 -20.344 5.451 7.539 85 HB VAL 14 HB VAL 14 -21.254 2.959 6.068 86 HG11 VAL 14 HG11 VAL 14 -22.840 5.143 7.415 87 HG12 VAL 14 HG12 VAL 14 -22.642 3.492 7.994 88 HG13 VAL 14 HG13 VAL 14 -23.514 3.802 6.492 89 HG21 VAL 14 HG21 VAL 14 -22.295 4.466 4.453 90 HG22 VAL 14 HG22 VAL 14 -20.541 4.682 4.487 91 HG23 VAL 14 HG23 VAL 14 -21.589 5.852 5.283 92 H VAL 15 HN VAL 15 -20.153 5.072 9.621 93 HA VAL 15 HA VAL 15 -19.550 2.352 10.517 94 HB VAL 15 HB VAL 15 -19.504 4.877 12.180 95 HG11 VAL 15 HG11 VAL 15 -18.272 2.156 12.639 96 HG12 VAL 15 HG12 VAL 15 -19.687 2.798 13.472 97 HG13 VAL 15 HG13 VAL 15 -18.111 3.549 13.710 98 HG21 VAL 15 HG21 VAL 15 -17.061 4.854 11.905 99 HG22 VAL 15 HG22 VAL 15 -17.890 5.102 10.368 100 HG23 VAL 15 HG23 VAL 15 -17.212 3.523 10.761 101 H PHE 16 HN PHE 16 -21.028 1.156 11.563 102 HA PHE 16 HA PHE 16 -23.254 2.437 12.908 103 HB2 PHE 16 HB2 PHE 16 -24.926 1.007 11.753 104 HB3 PHE 16 HB1 PHE 16 -24.152 2.159 10.669 105 HD1 PHE 16 HD1 PHE 16 -24.468 -1.381 11.574 106 HD2 PHE 16 HD2 PHE 16 -22.733 1.420 8.874 107 HE1 PHE 16 HE1 PHE 16 -23.890 -3.217 10.046 108 HE2 PHE 16 HE2 PHE 16 -22.149 -0.415 7.344 109 HZ PHE 16 HZ PHE 16 -22.728 -2.740 7.929 110 H GLY 17 HN GLY 17 -24.660 0.650 13.958 111 HA2 GLY 17 HA2 GLY 17 -24.762 -1.516 14.955 112 HA3 GLY 17 HA1 GLY 17 -23.031 -1.692 14.692 113 H TYR 18 HN TYR 18 -23.542 1.349 15.778 114 HA TYR 18 HA TYR 18 -23.114 0.589 18.594 115 HB2 TYR 18 HB2 TYR 18 -21.784 2.637 18.800 116 HB3 TYR 18 HB1 TYR 18 -21.103 1.585 17.563 117 HD1 TYR 18 HD2 TYR 18 -21.259 2.202 15.201 118 HD2 TYR 18 HD1 TYR 18 -22.751 4.774 18.238 119 HE1 TYR 18 HE2 TYR 18 -21.378 4.043 13.582 120 HE2 TYR 18 HE1 TYR 18 -22.873 6.620 16.615 121 HH TYR 18 HH TYR 18 -22.600 6.121 13.285 122 H ARG 19 HN ARG 19 -23.978 2.148 20.149 123 HA ARG 19 HA ARG 19 -26.135 3.751 18.991 124 HB2 ARG 19 HB2 ARG 19 -27.033 1.680 20.001 125 HB3 ARG 19 HB1 ARG 19 -26.321 2.135 21.540 126 HG2 ARG 19 HG2 ARG 19 -27.784 4.015 21.743 127 HG3 ARG 19 HG1 ARG 19 -28.366 3.805 20.092 128 HD2 ARG 19 HD2 ARG 19 -29.999 2.960 21.655 129 HD3 ARG 19 HD1 ARG 19 -29.319 1.637 20.714 130 HE ARG 19 HE ARG 19 -27.908 1.937 23.152 131 HH11 ARG 19 HH11 ARG 19 -30.944 0.761 21.850 132 HH12 ARG 19 HH12 ARG 19 -31.229 -0.337 23.154 133 HH21 ARG 19 HH21 ARG 19 -28.283 0.481 24.899 134 HH22 ARG 19 HH22 ARG 19 -29.713 -0.488 24.897 135 H GLU 20 HN GLU 20 -26.766 5.593 20.257 136 HA GLU 20 HA GLU 20 -24.666 7.265 20.805 137 HB2 GLU 20 HB2 GLU 20 -26.983 7.929 20.283 138 HB3 GLU 20 HB1 GLU 20 -27.460 7.495 21.916 139 HG2 GLU 20 HG2 GLU 20 -25.984 9.227 22.807 140 HG3 GLU 20 HG1 GLU 20 -25.489 9.653 21.169 141 H ALA 21 HN ALA 21 -26.298 5.156 23.087 142 HA ALA 21 HA ALA 21 -25.533 6.346 25.488 143 HB1 ALA 21 HB1 ALA 21 -27.227 4.563 25.280 144 HB2 ALA 21 HB2 ALA 21 -26.040 4.245 26.545 145 HB3 ALA 21 HB3 ALA 21 -25.924 3.410 25.000 146 H ILE 22 HN ILE 22 -23.563 4.448 23.301 147 HA ILE 22 HA ILE 22 -21.572 3.886 25.369 148 HB ILE 22 HB ILE 22 -20.297 2.735 23.650 149 HG12 ILE 22 HG12 ILE 22 -22.409 3.471 21.608 150 HG13 ILE 22 HG11 ILE 22 -20.938 4.422 21.815 151 HG21 ILE 22 HG21 ILE 22 -23.236 2.052 23.464 152 HG22 ILE 22 HG22 ILE 22 -22.118 1.488 24.700 153 HG23 ILE 22 HG23 ILE 22 -21.908 0.979 23.026 154 HD11 ILE 22 HD11 ILE 22 -19.731 2.170 21.448 155 HD12 ILE 22 HD12 ILE 22 -20.421 3.018 20.072 156 HD13 ILE 22 HD13 ILE 22 -21.280 1.642 20.780 157 H THR 23 HN THR 23 -22.138 6.646 24.756 158 HA THR 23 HA THR 23 -20.676 7.979 22.905 159 HB THR 23 HB THR 23 -20.772 9.079 25.692 160 HG1 THR 23 HG1 THR 23 -22.933 8.382 24.011 161 HG21 THR 23 HG21 THR 23 -21.314 10.277 22.971 162 HG22 THR 23 HG22 THR 23 -19.809 10.435 23.881 163 HG23 THR 23 HG23 THR 23 -21.295 11.152 24.507 164 H LYS 24 HN LYS 24 -19.436 7.933 26.264 165 HA LYS 24 HA LYS 24 -16.889 8.716 25.586 166 HB2 LYS 24 HB2 LYS 24 -17.881 7.220 27.999 167 HB3 LYS 24 HB1 LYS 24 -16.335 8.055 27.877 168 HG2 LYS 24 HG2 LYS 24 -19.059 9.307 27.709 169 HG3 LYS 24 HG1 LYS 24 -17.907 9.439 29.046 170 HD2 LYS 24 HD2 LYS 24 -16.311 10.337 27.306 171 HD3 LYS 24 HD1 LYS 24 -17.704 10.521 26.269 172 HE2 LYS 24 HE2 LYS 24 -17.600 11.707 29.026 173 HE3 LYS 24 HE1 LYS 24 -17.058 12.579 27.594 174 HZ1 LYS 24 HZ1 LYS 24 -19.229 12.368 26.641 175 HZ2 LYS 24 HZ2 LYS 24 -19.369 13.074 28.183 176 HZ3 LYS 24 HZ3 LYS 24 -19.783 11.455 27.956 177 H GLN 25 HN GLN 25 -18.196 5.473 26.018 178 HA GLN 25 HA GLN 25 -15.849 4.045 26.234 179 HB2 GLN 25 HB2 GLN 25 -18.437 3.236 24.914 180 HB3 GLN 25 HB1 GLN 25 -17.107 2.132 25.227 181 HG2 GLN 25 HG2 GLN 25 -17.306 2.566 27.609 182 HG3 GLN 25 HG1 GLN 25 -18.651 3.664 27.307 183 HE21 GLN 25 HE21 GLN 25 -19.971 2.371 28.615 184 HE22 GLN 25 HE22 GLN 25 -20.622 0.868 28.051 185 H ILE 26 HN ILE 26 -17.688 4.386 23.186 186 HA ILE 26 HA ILE 26 -15.486 3.427 21.692 187 HB ILE 26 HB ILE 26 -18.017 3.219 21.172 188 HG12 ILE 26 HG12 ILE 26 -16.168 3.925 18.912 189 HG13 ILE 26 HG11 ILE 26 -16.078 2.429 19.842 190 HG21 ILE 26 HG21 ILE 26 -18.604 5.563 21.128 191 HG22 ILE 26 HG22 ILE 26 -18.820 4.859 19.523 192 HG23 ILE 26 HG23 ILE 26 -17.410 5.862 19.859 193 HD11 ILE 26 HD11 ILE 26 -18.433 3.348 18.214 194 HD12 ILE 26 HD12 ILE 26 -18.337 1.854 19.144 195 HD13 ILE 26 HD13 ILE 26 -17.274 2.096 17.757 196 H LEU 27 HN LEU 27 -16.562 6.611 22.632 197 HA LEU 27 HA LEU 27 -15.319 8.149 20.633 198 HB2 LEU 27 HB2 LEU 27 -16.921 9.100 22.197 199 HB3 LEU 27 HB1 LEU 27 -15.849 8.802 23.545 200 HG LEU 27 HG LEU 27 -14.220 10.402 22.394 201 HD11 LEU 27 HD11 LEU 27 -15.304 10.336 20.201 202 HD12 LEU 27 HD12 LEU 27 -15.121 11.975 20.827 203 HD13 LEU 27 HD13 LEU 27 -16.694 11.184 20.886 204 HD21 LEU 27 HD21 LEU 27 -15.462 11.009 24.402 205 HD22 LEU 27 HD22 LEU 27 -16.851 11.488 23.423 206 HD23 LEU 27 HD23 LEU 27 -15.338 12.379 23.308 207 H ALA 28 HN ALA 28 -14.120 6.992 23.766 208 HA ALA 28 HA ALA 28 -11.647 8.297 23.721 209 HB1 ALA 28 HB1 ALA 28 -12.370 5.690 25.045 210 HB2 ALA 28 HB2 ALA 28 -12.608 7.299 25.728 211 HB3 ALA 28 HB3 ALA 28 -10.977 6.698 25.435 212 H TYR 29 HN TYR 29 -12.706 5.431 22.081 213 HA TYR 29 HA TYR 29 -9.974 4.600 21.563 214 HB2 TYR 29 HB2 TYR 29 -11.669 2.910 22.160 215 HB3 TYR 29 HB1 TYR 29 -12.557 3.295 20.691 216 HD1 TYR 29 HD1 TYR 29 -9.506 1.742 22.046 217 HD2 TYR 29 HD2 TYR 29 -11.808 2.473 18.541 218 HE1 TYR 29 HE1 TYR 29 -8.163 0.085 20.818 219 HE2 TYR 29 HE2 TYR 29 -10.483 0.830 17.312 220 HH TYR 29 HH TYR 29 -8.197 -0.200 17.464 221 H PHE 30 HN PHE 30 -12.809 5.632 19.634 222 HA PHE 30 HA PHE 30 -11.180 5.455 17.224 223 HB2 PHE 30 HB2 PHE 30 -14.116 5.877 17.662 224 HB3 PHE 30 HB1 PHE 30 -13.364 6.095 16.086 225 HD1 PHE 30 HD1 PHE 30 -14.151 3.654 18.710 226 HD2 PHE 30 HD2 PHE 30 -12.702 4.254 14.756 227 HE1 PHE 30 HE1 PHE 30 -14.384 1.249 18.270 228 HE2 PHE 30 HE2 PHE 30 -12.929 1.845 14.304 229 HZ PHE 30 HZ PHE 30 -13.776 0.340 16.067 230 H ALA 31 HN ALA 31 -12.192 7.972 19.365 231 HA ALA 31 HA ALA 31 -12.375 10.078 17.467 232 HB1 ALA 31 HB1 ALA 31 -11.661 10.286 20.383 233 HB2 ALA 31 HB2 ALA 31 -13.293 10.271 19.717 234 HB3 ALA 31 HB3 ALA 31 -12.199 11.607 19.343 235 H GLN 32 HN GLN 32 -9.721 8.346 18.526 236 HA GLN 32 HA GLN 32 -7.688 10.285 18.464 237 HB2 GLN 32 HB2 GLN 32 -7.566 7.347 17.833 238 HB3 GLN 32 HB1 GLN 32 -6.176 8.398 18.077 239 HG2 GLN 32 HG2 GLN 32 -7.111 8.903 20.358 240 HG3 GLN 32 HG1 GLN 32 -8.258 7.594 20.077 241 HE21 GLN 32 HE21 GLN 32 -4.991 7.601 18.895 242 HE22 GLN 32 HE22 GLN 32 -4.413 6.350 19.913 243 H PHE 33 HN PHE 33 -9.395 8.556 15.939 244 HA PHE 33 HA PHE 33 -7.768 9.995 13.959 245 HB2 PHE 33 HB2 PHE 33 -8.934 7.224 13.740 246 HB3 PHE 33 HB1 PHE 33 -8.255 8.114 12.381 247 HD1 PHE 33 HD2 PHE 33 -5.849 8.673 12.361 248 HD2 PHE 33 HD1 PHE 33 -7.553 6.147 15.324 249 HE1 PHE 33 HE2 PHE 33 -3.606 7.850 12.937 250 HE2 PHE 33 HE1 PHE 33 -5.314 5.320 15.915 251 HZ PHE 33 HZ PHE 33 -3.334 6.172 14.720 252 H GLY 34 HN GLY 34 -10.861 9.479 15.218 253 HA2 GLY 34 HA2 GLY 34 -12.025 11.366 13.450 254 HA3 GLY 34 HA1 GLY 34 -12.540 9.735 13.038 255 H GLU 35 HN GLU 35 -13.308 12.397 14.765 256 HA GLU 35 HA GLU 35 -14.364 11.219 17.129 257 HB2 GLU 35 HB2 GLU 35 -14.832 13.897 15.810 258 HB3 GLU 35 HB1 GLU 35 -15.433 13.456 17.407 259 HG2 GLU 35 HG2 GLU 35 -13.222 13.222 18.262 260 HG3 GLU 35 HG1 GLU 35 -12.522 13.405 16.658 261 H ILE 36 HN ILE 36 -16.153 10.055 17.296 262 HA ILE 36 HA ILE 36 -18.158 10.193 15.144 263 HB ILE 36 HB ILE 36 -17.957 7.923 17.145 264 HG12 ILE 36 HG12 ILE 36 -16.536 8.064 14.473 265 HG13 ILE 36 HG11 ILE 36 -15.742 8.208 16.034 266 HG21 ILE 36 HG21 ILE 36 -18.993 6.647 15.302 267 HG22 ILE 36 HG22 ILE 36 -19.092 8.138 14.357 268 HG23 ILE 36 HG23 ILE 36 -19.984 7.986 15.872 269 HD11 ILE 36 HD11 ILE 36 -15.469 5.989 15.127 270 HD12 ILE 36 HD12 ILE 36 -17.217 5.801 15.004 271 HD13 ILE 36 HD13 ILE 36 -16.454 5.932 16.591 272 H LEU 37 HN LEU 37 -20.418 9.782 15.865 273 HA LEU 37 HA LEU 37 -22.258 10.141 17.110 274 HB2 LEU 37 HB2 LEU 37 -20.309 10.160 19.398 275 HB3 LEU 37 HB1 LEU 37 -22.032 10.355 19.613 276 HG LEU 37 HG LEU 37 -20.817 7.924 18.301 277 HD11 LEU 37 HD11 LEU 37 -21.637 8.357 21.152 278 HD12 LEU 37 HD12 LEU 37 -19.980 8.162 20.569 279 HD13 LEU 37 HD13 LEU 37 -21.127 6.824 20.447 280 HD21 LEU 37 HD21 LEU 37 -23.167 8.281 17.789 281 HD22 LEU 37 HD22 LEU 37 -23.520 8.506 19.503 282 HD23 LEU 37 HD23 LEU 37 -22.986 6.931 18.918 283 H GLU 38 HN GLU 38 -20.816 12.024 19.539 284 HA GLU 38 HA GLU 38 -20.920 14.603 18.292 285 HB2 GLU 38 HB2 GLU 38 -23.187 13.722 20.105 286 HB3 GLU 38 HB1 GLU 38 -22.771 15.410 19.878 287 HG2 GLU 38 HG2 GLU 38 -23.327 15.290 17.554 288 HG3 GLU 38 HG1 GLU 38 -23.580 13.553 17.652 289 H ASP 39 HN ASP 39 -21.753 13.289 21.438 290 HA ASP 39 HA ASP 39 -20.999 13.488 23.504 291 HB2 ASP 39 HB2 ASP 39 -18.963 12.435 22.457 292 HB3 ASP 39 HB1 ASP 39 -18.273 14.051 22.357 293 H LEU 40 HN LEU 40 -19.135 15.141 24.727 294 HA LEU 40 HA LEU 40 -19.780 17.890 24.102 295 HB2 LEU 40 HB2 LEU 40 -20.975 18.187 26.299 296 HB3 LEU 40 HB1 LEU 40 -21.869 17.327 25.055 297 HG LEU 40 HG LEU 40 -20.311 15.614 26.898 298 HD11 LEU 40 HD11 LEU 40 -21.141 17.290 28.465 299 HD12 LEU 40 HD12 LEU 40 -21.978 15.751 28.664 300 HD13 LEU 40 HD13 LEU 40 -22.774 17.084 27.824 301 HD21 LEU 40 HD21 LEU 40 -22.384 14.281 26.805 302 HD22 LEU 40 HD22 LEU 40 -21.738 14.639 25.204 303 HD23 LEU 40 HD23 LEU 40 -23.130 15.536 25.812 304 H GLU 41 HN GLU 41 -17.653 15.710 25.273 305 HA GLU 41 HA GLU 41 -16.515 17.535 27.276 306 HB2 GLU 41 HB2 GLU 41 -17.728 15.770 28.445 307 HB3 GLU 41 HB1 GLU 41 -16.913 14.542 27.493 308 HG2 GLU 41 HG2 GLU 41 -15.978 14.593 29.680 309 HG3 GLU 41 HG1 GLU 41 -14.784 15.208 28.540 310 H SER 42 HN SER 42 -14.238 17.223 27.624 311 HA SER 42 HA SER 42 -12.876 16.302 25.241 312 HB2 SER 42 HB2 SER 42 -11.882 17.758 27.695 313 HB3 SER 42 HB1 SER 42 -10.829 17.200 26.395 314 HG SER 42 HG SER 42 -11.295 19.055 25.544 315 H GLU 43 HN GLU 43 -13.105 14.101 25.350 316 HA GLU 43 HA GLU 43 -12.599 12.482 27.574 317 HB2 GLU 43 HB2 GLU 43 -13.645 11.824 25.343 318 HB3 GLU 43 HB1 GLU 43 -12.020 11.780 24.714 319 HG2 GLU 43 HG2 GLU 43 -12.720 9.552 25.322 320 HG3 GLU 43 HG1 GLU 43 -11.364 10.110 26.302 321 H LEU 44 HN LEU 44 -10.558 13.443 24.884 322 HA LEU 44 HA LEU 44 -8.214 12.449 26.221 323 HB2 LEU 44 HB2 LEU 44 -8.468 13.994 23.638 324 HB3 LEU 44 HB1 LEU 44 -7.068 13.100 24.182 325 HG LEU 44 HG LEU 44 -9.717 11.897 23.388 326 HD11 LEU 44 HD11 LEU 44 -7.054 11.877 21.989 327 HD12 LEU 44 HD12 LEU 44 -8.488 12.777 21.501 328 HD13 LEU 44 HD13 LEU 44 -8.506 11.012 21.479 329 HD21 LEU 44 HD21 LEU 44 -7.143 10.557 24.230 330 HD22 LEU 44 HD22 LEU 44 -8.552 9.739 23.554 331 HD23 LEU 44 HD23 LEU 44 -8.672 10.552 25.113 332 H GLY 45 HN GLY 45 -7.579 13.744 27.867 333 HA2 GLY 45 HA2 GLY 45 -8.202 16.560 27.842 334 HA3 GLY 45 HA1 GLY 45 -7.466 15.663 29.156 335 H ASP 46 HN ASP 46 -5.190 14.854 28.557 336 HA ASP 46 HA ASP 46 -3.600 17.169 28.277 337 HB2 ASP 46 HB2 ASP 46 -2.867 14.246 28.360 338 HB3 ASP 46 HB1 ASP 46 -1.672 15.537 28.278 339 H THR 47 HN THR 47 -4.433 14.626 26.021 340 HA THR 47 HA THR 47 -2.672 15.719 24.023 341 HB THR 47 HB THR 47 -3.853 14.051 22.510 342 HG1 THR 47 HG1 THR 47 -4.768 12.728 24.789 343 HG21 THR 47 HG21 THR 47 -2.717 12.130 23.540 344 HG22 THR 47 HG22 THR 47 -2.524 13.068 25.025 345 HG23 THR 47 HG23 THR 47 -1.710 13.581 23.545 346 H GLU 48 HN GLU 48 -6.039 14.892 23.479 347 HA GLU 48 HA GLU 48 -7.804 15.952 22.599 348 HB2 GLU 48 HB2 GLU 48 -7.542 17.466 24.493 349 HB3 GLU 48 HB1 GLU 48 -6.429 18.448 23.553 350 HG2 GLU 48 HG2 GLU 48 -8.208 19.019 22.001 351 HG3 GLU 48 HG1 GLU 48 -9.308 17.929 22.837 352 H THR 49 HN THR 49 -4.714 17.402 21.663 353 HA THR 49 HA THR 49 -5.594 18.529 19.234 354 HB THR 49 HB THR 49 -3.193 18.508 18.594 355 HG1 THR 49 HG1 THR 49 -1.719 17.663 20.201 356 HG21 THR 49 HG21 THR 49 -2.395 19.931 20.414 357 HG22 THR 49 HG22 THR 49 -3.670 19.318 21.468 358 HG23 THR 49 HG23 THR 49 -4.084 20.293 20.060 359 H MET 50 HN MET 50 -4.729 15.333 20.216 360 HA MET 50 HA MET 50 -4.632 14.325 17.506 361 HB2 MET 50 HB2 MET 50 -3.112 13.401 19.221 362 HB3 MET 50 HB1 MET 50 -4.503 12.843 20.133 363 HG2 MET 50 HG2 MET 50 -5.134 11.379 18.270 364 HG3 MET 50 HG1 MET 50 -3.709 11.918 17.383 365 HE1 MET 50 HE1 MET 50 -4.138 11.115 21.232 366 HE2 MET 50 HE2 MET 50 -3.617 9.431 21.271 367 HE3 MET 50 HE3 MET 50 -5.086 9.878 20.408 368 H ARG 51 HN ARG 51 -6.802 15.087 17.093 369 HA ARG 51 HA ARG 51 -8.727 12.965 17.697 370 HB2 ARG 51 HB2 ARG 51 -9.291 15.944 17.541 371 HB3 ARG 51 HB1 ARG 51 -10.547 14.719 17.484 372 HG2 ARG 51 HG2 ARG 51 -9.852 13.961 19.749 373 HG3 ARG 51 HG1 ARG 51 -8.708 15.308 19.793 374 HD2 ARG 51 HD2 ARG 51 -10.527 16.894 19.512 375 HD3 ARG 51 HD1 ARG 51 -11.681 15.573 19.387 376 HE ARG 51 HE ARG 51 -10.165 15.727 21.863 377 HH11 ARG 51 HH11 ARG 51 -13.186 16.249 20.151 378 HH12 ARG 51 HH12 ARG 51 -14.069 16.693 21.578 379 HH21 ARG 51 HH21 ARG 51 -11.334 16.365 23.767 380 HH22 ARG 51 HH22 ARG 51 -13.013 16.770 23.633 381 H THR 52 HN THR 52 -10.536 14.630 15.797 382 HA THR 52 HA THR 52 -10.027 13.269 13.455 383 HB THR 52 HB THR 52 -11.197 16.048 13.480 384 HG1 THR 52 HG1 THR 52 -12.510 15.191 14.992 385 HG21 THR 52 HG21 THR 52 -12.633 15.120 11.715 386 HG22 THR 52 HG22 THR 52 -11.820 13.562 11.879 387 HG23 THR 52 HG23 THR 52 -10.923 14.967 11.304 388 HA PRO 53 HA PRO 53 -6.203 15.304 12.309 389 HB2 PRO 53 HB2 PRO 53 -5.664 13.773 10.161 390 HB3 PRO 53 HB1 PRO 53 -5.525 13.154 11.812 391 HG2 PRO 53 HG2 PRO 53 -7.750 12.810 9.842 392 HG3 PRO 53 HG1 PRO 53 -7.002 11.602 10.900 393 HD2 PRO 53 HD2 PRO 53 -9.361 12.847 11.484 394 HD3 PRO 53 HD1 PRO 53 -8.234 12.254 12.724 395 H GLY 54 HN GLY 54 -8.669 16.561 11.509 396 HA2 GLY 54 HA2 GLY 54 -7.723 17.783 9.026 397 HA3 GLY 54 HA1 GLY 54 -9.371 17.164 9.067 398 H TYR 55 HN TYR 55 -10.467 17.873 11.301 399 HA TYR 55 HA TYR 55 -9.851 20.531 12.086 400 HB2 TYR 55 HB2 TYR 55 -12.085 21.421 11.398 401 HB3 TYR 55 HB1 TYR 55 -11.001 21.065 10.056 402 HD1 TYR 55 HD1 TYR 55 -13.944 19.848 11.895 403 HD2 TYR 55 HD2 TYR 55 -11.590 19.505 8.392 404 HE1 TYR 55 HE1 TYR 55 -15.699 18.458 10.872 405 HE2 TYR 55 HE2 TYR 55 -13.332 18.112 7.338 406 HH TYR 55 HH TYR 55 -16.454 17.879 8.591 407 H PHE 56 HN PHE 56 -11.448 21.268 13.674 408 HA PHE 56 HA PHE 56 -12.266 19.038 15.353 409 HB2 PHE 56 HB2 PHE 56 -12.100 22.006 15.922 410 HB3 PHE 56 HB1 PHE 56 -12.657 20.805 17.083 411 HD1 PHE 56 HD2 PHE 56 -11.088 19.105 17.944 412 HD2 PHE 56 HD1 PHE 56 -9.781 22.328 15.494 413 HE1 PHE 56 HE2 PHE 56 -8.769 18.706 18.660 414 HE2 PHE 56 HE1 PHE 56 -7.460 21.937 16.204 415 HZ PHE 56 HZ PHE 56 -6.951 20.123 17.789 416 H PHE 57 HN PHE 57 -14.370 18.820 16.159 417 HA PHE 57 HA PHE 57 -16.348 19.426 14.204 418 HB2 PHE 57 HB2 PHE 57 -17.827 18.050 15.509 419 HB3 PHE 57 HB1 PHE 57 -16.265 17.273 15.502 420 HD1 PHE 57 HD2 PHE 57 -14.834 17.513 17.536 421 HD2 PHE 57 HD1 PHE 57 -18.925 18.613 17.412 422 HE1 PHE 57 HE2 PHE 57 -14.936 17.402 19.958 423 HE2 PHE 57 HE1 PHE 57 -19.034 18.510 19.838 424 HZ PHE 57 HZ PHE 57 -17.035 17.902 21.144 425 H GLN 58 HN GLN 58 -18.188 20.609 14.373 426 HA GLN 58 HA GLN 58 -18.430 22.496 16.622 427 HB2 GLN 58 HB2 GLN 58 -17.740 23.693 14.588 428 HB3 GLN 58 HB1 GLN 58 -19.048 22.949 13.683 429 HG2 GLN 58 HG2 GLN 58 -19.641 25.210 14.211 430 HG3 GLN 58 HG1 GLN 58 -20.678 24.126 15.127 431 HE21 GLN 58 HE21 GLN 58 -21.165 25.578 16.702 432 HE22 GLN 58 HE22 GLN 58 -20.022 26.143 17.867 433 H GLN 59 HN GLN 59 -20.199 21.996 17.771 434 HA GLN 59 HA GLN 59 -22.056 20.075 16.863 435 HB2 GLN 59 HB2 GLN 59 -21.442 20.412 19.247 436 HB3 GLN 59 HB1 GLN 59 -22.355 21.913 19.226 437 HG2 GLN 59 HG2 GLN 59 -24.396 20.672 18.730 438 HG3 GLN 59 HG1 GLN 59 -23.478 19.165 18.743 439 HE21 GLN 59 HE21 GLN 59 -24.614 18.280 20.421 440 HE22 GLN 59 HE22 GLN 59 -24.486 18.847 22.050 441 H ALA 60 HN ALA 60 -22.500 23.438 17.553 442 HA ALA 60 HA ALA 60 -23.925 25.044 16.776 443 HB1 ALA 60 HB1 ALA 60 -23.089 24.447 14.574 444 HB2 ALA 60 HB2 ALA 60 -24.806 24.831 14.487 445 HB3 ALA 60 HB3 ALA 60 -24.275 23.149 14.448 446 HA PRO 61 HA PRO 61 -27.918 23.981 18.307 447 HB2 PRO 61 HB2 PRO 61 -29.420 26.021 17.305 448 HB3 PRO 61 HB1 PRO 61 -28.294 26.224 18.654 449 HG2 PRO 61 HG2 PRO 61 -27.921 26.859 15.752 450 HG3 PRO 61 HG1 PRO 61 -27.461 27.817 17.171 451 HD2 PRO 61 HD2 PRO 61 -25.675 26.324 15.801 452 HD3 PRO 61 HD1 PRO 61 -25.561 26.561 17.555 453 H ASN 62 HN ASN 62 -28.483 22.092 17.304 454 HA ASN 62 HA ASN 62 -29.616 20.648 15.978 455 HB2 ASN 62 HB2 ASN 62 -31.291 23.121 15.581 456 HB3 ASN 62 HB1 ASN 62 -31.735 21.561 14.897 457 HD21 ASN 62 HD21 ASN 62 -33.092 23.188 16.883 458 HD22 ASN 62 HD22 ASN 62 -33.261 22.201 18.292 459 H ARG 63 HN ARG 63 -27.341 21.867 14.788 460 HA ARG 63 HA ARG 63 -28.126 21.726 11.943 461 HB2 ARG 63 HB2 ARG 63 -25.871 23.278 13.227 462 HB3 ARG 63 HB1 ARG 63 -26.016 23.023 11.499 463 HG2 ARG 63 HG2 ARG 63 -28.128 24.248 11.504 464 HG3 ARG 63 HG1 ARG 63 -27.952 24.514 13.244 465 HD2 ARG 63 HD2 ARG 63 -25.838 25.675 12.842 466 HD3 ARG 63 HD1 ARG 63 -26.030 25.429 11.107 467 HE ARG 63 HE ARG 63 -28.311 26.727 12.088 468 HH11 ARG 63 HH11 ARG 63 -24.910 27.348 11.519 469 HH12 ARG 63 HH12 ARG 63 -25.104 29.052 11.354 470 HH21 ARG 63 HH21 ARG 63 -28.587 29.015 11.862 471 HH22 ARG 63 HH22 ARG 63 -27.207 30.002 11.537 472 H ARG 64 HN ARG 64 -25.363 21.622 11.111 473 HA ARG 64 HA ARG 64 -24.740 18.919 11.122 474 HB2 ARG 64 HB2 ARG 64 -23.005 21.368 10.814 475 HB3 ARG 64 HB1 ARG 64 -22.463 19.730 10.463 476 HG2 ARG 64 HG2 ARG 64 -24.009 19.511 8.668 477 HG3 ARG 64 HG1 ARG 64 -24.848 20.989 9.132 478 HD2 ARG 64 HD2 ARG 64 -21.966 20.914 8.273 479 HD3 ARG 64 HD1 ARG 64 -23.301 21.201 7.158 480 HE ARG 64 HE ARG 64 -23.642 23.016 9.213 481 HH11 ARG 64 HH11 ARG 64 -21.148 22.357 6.825 482 HH12 ARG 64 HH12 ARG 64 -20.658 24.012 6.711 483 HH21 ARG 64 HH21 ARG 64 -22.975 25.181 9.080 484 HH22 ARG 64 HH22 ARG 64 -21.691 25.623 8.013 485 H ARG 65 HN ARG 65 -24.602 17.875 13.012 486 HA ARG 65 HA ARG 65 -23.918 19.037 15.460 487 HB2 ARG 65 HB2 ARG 65 -24.186 16.145 14.658 488 HB3 ARG 65 HB1 ARG 65 -24.022 16.711 16.316 489 HG2 ARG 65 HG2 ARG 65 -26.064 18.007 16.117 490 HG3 ARG 65 HG1 ARG 65 -26.220 17.519 14.432 491 HD2 ARG 65 HD2 ARG 65 -26.425 15.183 15.144 492 HD3 ARG 65 HD1 ARG 65 -26.304 15.695 16.826 493 HE ARG 65 HE ARG 65 -28.440 16.836 15.198 494 HH11 ARG 65 HH11 ARG 65 -27.456 14.629 17.748 495 HH12 ARG 65 HH12 ARG 65 -29.068 14.371 18.312 496 HH21 ARG 65 HH21 ARG 65 -30.604 16.486 15.965 497 HH22 ARG 65 HH22 ARG 65 -30.860 15.422 17.307 498 H ILE 66 HN ILE 66 -21.994 17.026 13.306 499 HA ILE 66 HA ILE 66 -19.681 17.835 14.918 500 HB ILE 66 HB ILE 66 -18.459 15.816 14.142 501 HG12 ILE 66 HG12 ILE 66 -21.140 14.961 12.990 502 HG13 ILE 66 HG11 ILE 66 -19.719 15.385 12.066 503 HG21 ILE 66 HG21 ILE 66 -21.033 15.261 15.599 504 HG22 ILE 66 HG22 ILE 66 -19.503 15.778 16.306 505 HG23 ILE 66 HG23 ILE 66 -19.637 14.182 15.559 506 HD11 ILE 66 HD11 ILE 66 -19.890 13.035 13.948 507 HD12 ILE 66 HD12 ILE 66 -18.512 13.479 12.937 508 HD13 ILE 66 HD13 ILE 66 -20.025 12.973 12.189 509 H SER 67 HN SER 67 -20.979 17.218 11.787 510 HA SER 67 HA SER 67 -19.978 19.342 10.428 511 HB2 SER 67 HB2 SER 67 -17.713 18.449 10.756 512 HB3 SER 67 HB1 SER 67 -18.209 16.894 10.096 513 HG SER 67 HG SER 67 -18.515 19.246 8.561 514 H ARG 68 HN ARG 68 -20.474 15.912 10.309 515 HA ARG 68 HA ARG 68 -22.307 16.233 8.047 516 HB2 ARG 68 HB2 ARG 68 -20.106 14.317 8.514 517 HB3 ARG 68 HB1 ARG 68 -21.625 13.569 8.027 518 HG2 ARG 68 HG2 ARG 68 -20.094 14.070 6.147 519 HG3 ARG 68 HG1 ARG 68 -21.672 14.833 5.999 520 HD2 ARG 68 HD2 ARG 68 -20.155 16.487 5.353 521 HD3 ARG 68 HD1 ARG 68 -20.586 16.902 7.006 522 HE ARG 68 HE ARG 68 -18.419 16.444 7.671 523 HH11 ARG 68 HH11 ARG 68 -18.889 15.420 4.339 524 HH12 ARG 68 HH12 ARG 68 -17.189 15.278 4.008 525 HH21 ARG 68 HH21 ARG 68 -16.126 16.273 7.194 526 HH22 ARG 68 HH22 ARG 68 -15.655 15.761 5.606 527 H GLU 69 HN GLU 69 -24.194 14.954 8.123 528 HA GLU 69 HA GLU 69 -25.250 14.788 10.770 529 HB2 GLU 69 HB2 GLU 69 -26.632 15.627 8.970 530 HB3 GLU 69 HB1 GLU 69 -26.469 14.112 8.093 531 HG2 GLU 69 HG2 GLU 69 -28.643 14.222 9.117 532 HG3 GLU 69 HG1 GLU 69 -27.692 12.963 9.889 533 H HIS 70 HN HIS 70 -26.206 13.052 11.772 534 HA HIS 70 HA HIS 70 -25.420 10.383 10.837 535 HB2 HIS 70 HB2 HIS 70 -24.778 9.682 13.027 536 HB3 HIS 70 HB1 HIS 70 -23.968 11.220 12.775 537 HD2 HIS 70 HD2 HIS 70 -25.045 13.362 14.379 538 HE1 HIS 70 HE1 HIS 70 -27.081 10.730 17.010 539 HE2 HIS 70 HE2 HIS 70 -26.042 12.999 16.754 540 H GLY 71 HN GLY 71 -26.954 8.771 11.225 541 HA2 GLY 71 HA2 GLY 71 -29.509 9.755 12.326 542 HA3 GLY 71 HA1 GLY 71 -29.444 8.830 10.832 543 H ARG 72 HN ARG 72 -30.496 8.474 13.721 544 HA ARG 72 HA ARG 72 -30.803 6.817 15.228 545 HB2 ARG 72 HB2 ARG 72 -30.403 5.182 12.735 546 HB3 ARG 72 HB1 ARG 72 -30.950 4.515 14.265 547 HG2 ARG 72 HG2 ARG 72 -32.913 5.939 14.212 548 HG3 ARG 72 HG1 ARG 72 -32.357 6.676 12.713 549 HD2 ARG 72 HD2 ARG 72 -34.074 4.980 12.283 550 HD3 ARG 72 HD1 ARG 72 -32.528 4.515 11.579 551 HE ARG 72 HE ARG 72 -32.497 3.300 13.998 552 HH11 ARG 72 HH11 ARG 72 -34.959 3.356 11.483 553 HH12 ARG 72 HH12 ARG 72 -35.400 1.696 11.702 554 HH21 ARG 72 HH21 ARG 72 -33.108 1.092 14.292 555 HH22 ARG 72 HH22 ARG 72 -34.351 0.416 13.289 556 H THR 73 HN THR 73 -28.600 4.777 13.444 557 HA THR 73 HA THR 73 -26.732 4.929 15.686 558 HB THR 73 HB THR 73 -26.498 2.417 15.448 559 HG1 THR 73 HG1 THR 73 -28.211 1.329 14.465 560 HG21 THR 73 HG21 THR 73 -27.637 3.428 17.355 561 HG22 THR 73 HG22 THR 73 -28.470 1.954 16.854 562 HG23 THR 73 HG23 THR 73 -29.130 3.530 16.421 563 H TRP 74 HN TRP 74 -26.813 5.831 12.721 564 HA TRP 74 HA TRP 74 -24.205 4.683 12.023 565 HB2 TRP 74 HB2 TRP 74 -24.945 4.647 9.606 566 HB3 TRP 74 HB1 TRP 74 -25.690 3.441 10.641 567 HD1 TRP 74 HD1 TRP 74 -28.295 3.529 10.949 568 HE1 TRP 74 HE1 TRP 74 -30.175 4.886 9.839 569 HE3 TRP 74 HE3 TRP 74 -25.467 7.079 8.545 570 HZ2 TRP 74 HZ2 TRP 74 -30.443 7.132 8.171 571 HZ3 TRP 74 HZ3 TRP 74 -26.639 8.798 7.219 572 HH2 TRP 74 HH2 TRP 74 -29.067 8.822 7.039 573 H THR 75 HN THR 75 -22.771 6.044 11.049 574 HA THR 75 HA THR 75 -23.702 8.603 10.061 575 HB THR 75 HB THR 75 -23.001 8.920 12.522 576 HG1 THR 75 HG1 THR 75 -23.150 10.666 11.018 577 HG21 THR 75 HG21 THR 75 -20.965 7.567 12.546 578 HG22 THR 75 HG22 THR 75 -20.566 9.260 12.865 579 HG23 THR 75 HG23 THR 75 -20.267 8.572 11.273 580 H LYS 76 HN LYS 76 -22.343 9.568 8.571 581 HA LYS 76 HA LYS 76 -20.224 7.817 7.540 582 HB2 LYS 76 HB2 LYS 76 -22.054 8.320 5.955 583 HB3 LYS 76 HB1 LYS 76 -21.746 10.040 6.160 584 HG2 LYS 76 HG2 LYS 76 -19.408 9.596 5.303 585 HG3 LYS 76 HG1 LYS 76 -19.981 7.989 4.853 586 HD2 LYS 76 HD2 LYS 76 -20.330 9.140 2.898 587 HD3 LYS 76 HD1 LYS 76 -21.895 9.357 3.687 588 HE2 LYS 76 HE2 LYS 76 -19.609 11.323 3.670 589 HE3 LYS 76 HE1 LYS 76 -21.089 11.447 2.729 590 HZ1 LYS 76 HZ1 LYS 76 -22.328 11.577 4.843 591 HZ2 LYS 76 HZ2 LYS 76 -21.234 12.843 4.631 592 HZ3 LYS 76 HZ3 LYS 76 -20.858 11.578 5.687 593 H LEU 77 HN LEU 77 -18.354 8.494 8.438 594 HA LEU 77 HA LEU 77 -17.907 11.390 8.515 595 HB2 LEU 77 HB2 LEU 77 -16.547 11.186 10.461 596 HB3 LEU 77 HB1 LEU 77 -18.068 10.384 10.769 597 HG LEU 77 HG LEU 77 -15.557 8.879 10.025 598 HD11 LEU 77 HD11 LEU 77 -15.138 10.135 12.055 599 HD12 LEU 77 HD12 LEU 77 -15.302 8.418 12.411 600 HD13 LEU 77 HD13 LEU 77 -16.631 9.526 12.764 601 HD21 LEU 77 HD21 LEU 77 -16.745 7.001 11.084 602 HD22 LEU 77 HD22 LEU 77 -17.616 7.634 9.693 603 HD23 LEU 77 HD23 LEU 77 -18.151 8.039 11.324 604 H THR 78 HN THR 78 -15.797 12.138 8.229 605 HA THR 78 HA THR 78 -14.330 10.536 6.285 606 HB THR 78 HB THR 78 -14.305 13.521 6.846 607 HG1 THR 78 HG1 THR 78 -15.370 13.418 4.632 608 HG21 THR 78 HG21 THR 78 -13.058 11.918 4.597 609 HG22 THR 78 HG22 THR 78 -12.184 12.776 5.869 610 HG23 THR 78 HG23 THR 78 -13.118 13.679 4.674 611 H TYR 79 HN TYR 79 -12.397 9.697 6.900 612 HA TYR 79 HA TYR 79 -11.283 10.539 9.464 613 HB2 TYR 79 HB2 TYR 79 -10.859 8.135 7.720 614 HB3 TYR 79 HB1 TYR 79 -9.726 8.529 9.005 615 HD1 TYR 79 HD1 TYR 79 -13.207 7.537 8.276 616 HD2 TYR 79 HD2 TYR 79 -10.282 8.170 11.292 617 HE1 TYR 79 HE1 TYR 79 -14.652 6.406 9.916 618 HE2 TYR 79 HE2 TYR 79 -11.720 7.047 12.939 619 HH TYR 79 HH TYR 79 -14.109 6.545 13.251 620 H ALA 80 HN ALA 80 -10.880 11.370 6.312 621 HA ALA 80 HA ALA 80 -9.429 12.708 5.207 622 HB1 ALA 80 HB1 ALA 80 -7.933 12.971 7.811 623 HB2 ALA 80 HB2 ALA 80 -9.299 13.973 7.317 624 HB3 ALA 80 HB3 ALA 80 -7.793 14.024 6.404 625 H ASN 81 HN ASN 81 -7.659 10.476 7.327 626 HA ASN 81 HA ASN 81 -5.637 10.153 5.237 627 HB2 ASN 81 HB2 ASN 81 -5.716 9.247 8.115 628 HB3 ASN 81 HB1 ASN 81 -4.455 8.761 6.987 629 HD21 ASN 81 HD21 ASN 81 -5.742 11.300 8.912 630 HD22 ASN 81 HD22 ASN 81 -4.450 12.421 8.662 631 H HIS 82 HN HIS 82 -5.204 8.271 4.254 632 HA HIS 82 HA HIS 82 -7.386 6.423 4.012 633 HB2 HIS 82 HB2 HIS 82 -5.843 7.176 2.122 634 HB3 HIS 82 HB1 HIS 82 -4.622 6.134 2.831 635 HD2 HIS 82 HD2 HIS 82 -5.070 3.361 2.499 636 HE1 HIS 82 HE1 HIS 82 -8.311 3.830 -0.193 637 HE2 HIS 82 HE2 HIS 82 -6.529 2.276 0.661 638 H SER 83 HN SER 83 -4.393 6.575 5.757 639 HA SER 83 HA SER 83 -3.993 3.876 6.350 640 HB2 SER 83 HB2 SER 83 -3.454 6.249 8.155 641 HB3 SER 83 HB1 SER 83 -2.679 4.664 8.239 642 HG SER 83 HG SER 83 -2.040 5.138 5.977 643 H SER 84 HN SER 84 -6.018 6.324 7.900 644 HA SER 84 HA SER 84 -6.889 4.733 10.061 645 HB2 SER 84 HB2 SER 84 -8.268 7.100 8.802 646 HB3 SER 84 HB1 SER 84 -8.495 6.496 10.446 647 HG SER 84 HG SER 84 -7.042 8.060 10.741 648 H TYR 85 HN TYR 85 -7.805 4.957 6.756 649 HA TYR 85 HA TYR 85 -10.482 4.148 6.814 650 HB2 TYR 85 HB2 TYR 85 -9.446 5.076 4.828 651 HB3 TYR 85 HB1 TYR 85 -8.310 3.746 4.741 652 HD1 TYR 85 HD1 TYR 85 -11.875 4.665 4.345 653 HD2 TYR 85 HD2 TYR 85 -8.860 1.769 3.550 654 HE1 TYR 85 HE1 TYR 85 -13.380 3.542 2.751 655 HE2 TYR 85 HE2 TYR 85 -10.353 0.631 1.966 656 HH TYR 85 HH TYR 85 -12.737 0.435 1.480 657 H LEU 86 HN LEU 86 -7.510 2.213 6.545 658 HA LEU 86 HA LEU 86 -8.829 -0.293 6.454 659 HB2 LEU 86 HB2 LEU 86 -6.015 0.447 7.219 660 HB3 LEU 86 HB1 LEU 86 -6.580 -1.207 7.197 661 HG LEU 86 HG LEU 86 -5.413 -0.899 5.187 662 HD11 LEU 86 HD11 LEU 86 -7.535 -2.082 4.932 663 HD12 LEU 86 HD12 LEU 86 -7.073 -1.231 3.458 664 HD13 LEU 86 HD13 LEU 86 -8.323 -0.565 4.505 665 HD21 LEU 86 HD21 LEU 86 -5.861 0.924 3.592 666 HD22 LEU 86 HD22 LEU 86 -5.273 1.517 5.147 667 HD23 LEU 86 HD23 LEU 86 -6.986 1.633 4.751 668 H ARG 87 HN ARG 87 -7.486 1.577 9.126 669 HA ARG 87 HA ARG 87 -7.867 -0.401 11.125 670 HB2 ARG 87 HB2 ARG 87 -7.638 2.605 11.356 671 HB3 ARG 87 HB1 ARG 87 -7.663 1.516 12.729 672 HG2 ARG 87 HG2 ARG 87 -5.621 0.435 11.913 673 HG3 ARG 87 HG1 ARG 87 -5.586 1.559 10.550 674 HD2 ARG 87 HD2 ARG 87 -5.450 3.437 12.154 675 HD3 ARG 87 HD1 ARG 87 -5.390 2.267 13.473 676 HE ARG 87 HE ARG 87 -3.364 1.871 11.466 677 HH11 ARG 87 HH11 ARG 87 -4.150 3.542 14.472 678 HH12 ARG 87 HH12 ARG 87 -2.503 3.833 14.894 679 HH21 ARG 87 HH21 ARG 87 -1.169 2.302 12.015 680 HH22 ARG 87 HH22 ARG 87 -0.798 3.148 13.481 681 H ALA 88 HN ALA 88 -9.897 2.254 9.990 682 HA ALA 88 HA ALA 88 -11.955 1.789 11.940 683 HB1 ALA 88 HB1 ALA 88 -11.536 4.032 11.077 684 HB2 ALA 88 HB2 ALA 88 -13.191 3.520 10.725 685 HB3 ALA 88 HB3 ALA 88 -11.972 3.492 9.456 686 H LEU 89 HN LEU 89 -11.084 0.325 9.070 687 HA LEU 89 HA LEU 89 -13.551 -0.250 7.860 688 HB2 LEU 89 HB2 LEU 89 -11.310 -0.444 6.782 689 HB3 LEU 89 HB1 LEU 89 -11.015 -1.878 7.740 690 HG LEU 89 HG LEU 89 -12.893 -3.004 6.601 691 HD11 LEU 89 HD11 LEU 89 -13.833 -1.971 4.573 692 HD12 LEU 89 HD12 LEU 89 -12.983 -0.474 4.960 693 HD13 LEU 89 HD13 LEU 89 -14.245 -1.073 6.036 694 HD21 LEU 89 HD21 LEU 89 -10.658 -3.335 5.747 695 HD22 LEU 89 HD22 LEU 89 -10.761 -1.841 4.812 696 HD23 LEU 89 HD23 LEU 89 -11.789 -3.214 4.395 697 H ARG 90 HN ARG 90 -12.502 -1.210 10.828 698 HA ARG 90 HA ARG 90 -12.923 -3.819 11.375 699 HB2 ARG 90 HB2 ARG 90 -14.069 -1.468 12.882 700 HB3 ARG 90 HB1 ARG 90 -14.026 -3.105 13.512 701 HG2 ARG 90 HG2 ARG 90 -11.587 -1.547 12.704 702 HG3 ARG 90 HG1 ARG 90 -12.223 -1.616 14.348 703 HD2 ARG 90 HD2 ARG 90 -11.986 -4.082 14.282 704 HD3 ARG 90 HD1 ARG 90 -11.230 -3.935 12.697 705 HE ARG 90 HE ARG 90 -9.561 -2.454 13.971 706 HH11 ARG 90 HH11 ARG 90 -11.201 -5.257 15.344 707 HH12 ARG 90 HH12 ARG 90 -9.920 -5.635 16.440 708 HH21 ARG 90 HH21 ARG 90 -7.854 -2.973 15.434 709 HH22 ARG 90 HH22 ARG 90 -7.998 -4.340 16.481 710 H GLU 91 HN GLU 91 -14.505 -5.284 11.249 711 HA GLU 91 HA GLU 91 -17.247 -4.414 10.815 712 HB2 GLU 91 HB2 GLU 91 -17.458 -6.083 8.982 713 HB3 GLU 91 HB1 GLU 91 -16.317 -4.804 8.601 714 HG2 GLU 91 HG2 GLU 91 -14.452 -6.281 9.179 715 HG3 GLU 91 HG1 GLU 91 -15.594 -7.568 9.556 716 H HIS 92 HN HIS 92 -18.034 -7.143 10.211 717 HA HIS 92 HA HIS 92 -18.712 -8.051 12.751 718 HB2 HIS 92 HB2 HIS 92 -19.901 -8.724 10.685 719 HB3 HIS 92 HB1 HIS 92 -18.495 -9.673 10.202 720 HD2 HIS 92 HD2 HIS 92 -21.219 -9.761 13.060 721 HE1 HIS 92 HE1 HIS 92 -19.600 -13.639 12.535 722 HE2 HIS 92 HE2 HIS 92 -21.104 -12.184 13.925 723 H GLY 93 HN GLY 93 -17.624 -9.059 14.247 724 HA2 GLY 93 HA2 GLY 93 -16.085 -10.953 14.750 725 HA3 GLY 93 HA1 GLY 93 -15.014 -10.247 13.538 726 H THR 94 HN THR 94 -15.787 -7.529 14.320 727 HA THR 94 HA THR 94 -14.093 -7.285 16.661 728 HB THR 94 HB THR 94 -15.239 -5.154 14.820 729 HG1 THR 94 HG1 THR 94 -13.177 -6.823 14.548 730 HG21 THR 94 HG21 THR 94 -14.778 -4.277 17.079 731 HG22 THR 94 HG22 THR 94 -13.646 -3.626 15.897 732 HG23 THR 94 HG23 THR 94 -13.137 -4.915 16.989 733 H ILE 95 HN ILE 95 -15.394 -7.956 18.294 734 HA ILE 95 HA ILE 95 -18.009 -6.724 18.619 735 HB ILE 95 HB ILE 95 -16.680 -8.990 20.117 736 HG12 ILE 95 HG12 ILE 95 -19.069 -9.016 18.255 737 HG13 ILE 95 HG11 ILE 95 -17.438 -9.461 17.770 738 HG21 ILE 95 HG21 ILE 95 -19.447 -7.831 20.459 739 HG22 ILE 95 HG22 ILE 95 -18.137 -7.789 21.642 740 HG23 ILE 95 HG23 ILE 95 -18.879 -9.326 21.196 741 HD11 ILE 95 HD11 ILE 95 -18.758 -11.431 18.194 742 HD12 ILE 95 HD12 ILE 95 -19.155 -10.858 19.812 743 HD13 ILE 95 HD13 ILE 95 -17.493 -11.300 19.417 744 H TYR 96 HN TYR 96 -18.352 -5.117 19.898 745 HA TYR 96 HA TYR 96 -16.429 -4.565 22.044 746 HB2 TYR 96 HB2 TYR 96 -16.112 -3.049 20.055 747 HB3 TYR 96 HB1 TYR 96 -17.753 -2.464 20.305 748 HD1 TYR 96 HD1 TYR 96 -14.335 -2.454 21.570 749 HD2 TYR 96 HD2 TYR 96 -18.282 -1.005 22.182 750 HE1 TYR 96 HE1 TYR 96 -13.471 -0.795 23.155 751 HE2 TYR 96 HE2 TYR 96 -17.430 0.662 23.776 752 HH TYR 96 HH TYR 96 -15.461 0.943 25.247 753 H CYS 97 HN CYS 97 -17.379 -4.417 23.959 754 HA CYS 97 HA CYS 97 -18.876 -4.058 25.621 755 HB2 CYS 97 HB2 CYS 97 -19.149 -1.868 24.319 756 HB3 CYS 97 HB1 CYS 97 -20.612 -2.570 23.650 757 HG CYS 97 HG CYS 97 -20.372 -0.812 26.283 758 H GLY 98 HN GLY 98 -19.338 -6.140 23.253 759 HA2 GLY 98 HA2 GLY 98 -20.652 -8.120 23.880 760 HA3 GLY 98 HA1 GLY 98 -21.942 -7.023 24.341 761 H ALA 99 HN ALA 99 -20.934 -5.588 21.660 762 HA ALA 99 HA ALA 99 -22.375 -7.374 19.826 763 HB1 ALA 99 HB1 ALA 99 -23.556 -5.448 18.870 764 HB2 ALA 99 HB2 ALA 99 -22.849 -4.410 20.112 765 HB3 ALA 99 HB3 ALA 99 -23.966 -5.695 20.567 766 H ALA 100 HN ALA 100 -21.860 -7.081 17.590 767 HA ALA 100 HA ALA 100 -19.137 -6.129 17.241 768 HB1 ALA 100 HB1 ALA 100 -20.936 -7.584 15.309 769 HB2 ALA 100 HB2 ALA 100 -19.722 -8.333 16.349 770 HB3 ALA 100 HB3 ALA 100 -19.228 -7.226 15.066 771 H ILE 101 HN ILE 101 -18.601 -4.306 16.284 772 HA ILE 101 HA ILE 101 -20.704 -2.612 15.208 773 HB ILE 101 HB ILE 101 -18.951 -0.853 15.103 774 HG12 ILE 101 HG12 ILE 101 -17.158 -2.905 16.437 775 HG13 ILE 101 HG11 ILE 101 -17.010 -2.381 14.765 776 HG21 ILE 101 HG21 ILE 101 -20.343 -1.064 17.076 777 HG22 ILE 101 HG22 ILE 101 -18.721 -0.532 17.520 778 HG23 ILE 101 HG23 ILE 101 -19.203 -2.211 17.777 779 HD11 ILE 101 HD11 ILE 101 -16.537 -0.104 15.524 780 HD12 ILE 101 HD12 ILE 101 -15.388 -1.270 16.183 781 HD13 ILE 101 HD13 ILE 101 -16.684 -0.637 17.198 782 H GLY 102 HN GLY 102 -20.768 -1.864 13.118 783 HA2 GLY 102 HA2 GLY 102 -19.006 -3.322 11.260 784 HA3 GLY 102 HA1 GLY 102 -20.721 -3.071 10.959 785 H CYS 103 HN CYS 103 -17.793 -2.085 10.073 786 HA CYS 103 HA CYS 103 -18.841 0.506 9.214 787 HB2 CYS 103 HB2 CYS 103 -17.171 0.834 10.983 788 HB3 CYS 103 HB1 CYS 103 -16.005 -0.105 10.060 789 HG CYS 103 HG CYS 103 -15.055 2.270 9.532 790 H VAL 104 HN VAL 104 -18.844 0.727 7.102 791 HA VAL 104 HA VAL 104 -16.980 -0.876 5.498 792 HB VAL 104 HB VAL 104 -18.791 -1.326 3.841 793 HG11 VAL 104 HG11 VAL 104 -18.190 -3.051 5.448 794 HG12 VAL 104 HG12 VAL 104 -19.909 -3.110 5.073 795 HG13 VAL 104 HG13 VAL 104 -19.364 -2.404 6.597 796 HG21 VAL 104 HG21 VAL 104 -21.141 -1.072 4.529 797 HG22 VAL 104 HG22 VAL 104 -20.310 0.479 4.387 798 HG23 VAL 104 HG23 VAL 104 -20.606 -0.220 5.979 799 HA PRO 105 HA PRO 105 -16.301 2.766 3.069 800 HB2 PRO 105 HB2 PRO 105 -16.568 1.766 0.500 801 HB3 PRO 105 HB1 PRO 105 -15.096 1.643 1.472 802 HG2 PRO 105 HG2 PRO 105 -17.277 -0.360 1.058 803 HG3 PRO 105 HG1 PRO 105 -15.520 -0.612 1.090 804 HD2 PRO 105 HD2 PRO 105 -17.000 -1.243 3.208 805 HD3 PRO 105 HD1 PRO 105 -15.421 -0.460 3.417 806 H TYR 106 HN TYR 106 -17.424 4.350 1.862 807 HA TYR 106 HA TYR 106 -20.162 4.502 2.273 808 HB2 TYR 106 HB2 TYR 106 -18.819 6.486 1.897 809 HB3 TYR 106 HB1 TYR 106 -18.489 5.983 0.242 810 HD1 TYR 106 HD1 TYR 106 -21.164 7.110 2.534 811 HD2 TYR 106 HD2 TYR 106 -20.024 6.476 -1.517 812 HE1 TYR 106 HE1 TYR 106 -23.167 8.320 1.783 813 HE2 TYR 106 HE2 TYR 106 -22.039 7.675 -2.275 814 HH TYR 106 HH TYR 106 -24.155 8.379 -1.538 815 H LYS 107 HN LYS 107 -21.825 3.606 1.358 816 HA LYS 107 HA LYS 107 -21.754 3.016 -1.498 817 HB2 LYS 107 HB2 LYS 107 -22.765 1.147 0.666 818 HB3 LYS 107 HB1 LYS 107 -23.047 0.903 -1.051 819 HG2 LYS 107 HG2 LYS 107 -20.612 0.768 -1.406 820 HG3 LYS 107 HG1 LYS 107 -20.373 0.947 0.331 821 HD2 LYS 107 HD2 LYS 107 -21.654 -1.112 0.704 822 HD3 LYS 107 HD1 LYS 107 -21.854 -1.297 -1.043 823 HE2 LYS 107 HE2 LYS 107 -19.401 -1.391 -1.284 824 HE3 LYS 107 HE1 LYS 107 -19.241 -1.289 0.467 825 HZ1 LYS 107 HZ1 LYS 107 -19.088 -3.563 -0.101 826 HZ2 LYS 107 HZ2 LYS 107 -20.428 -3.484 -1.120 827 HZ3 LYS 107 HZ3 LYS 107 -20.639 -3.366 0.547 828 H HIS 108 HN HIS 108 -23.641 3.448 -2.567 829 HA HIS 108 HA HIS 108 -25.318 5.377 -1.371 830 HB2 HIS 108 HB2 HIS 108 -24.822 5.400 -3.768 831 HB3 HIS 108 HB1 HIS 108 -25.678 3.879 -3.973 832 HD2 HIS 108 HD2 HIS 108 -26.585 7.626 -3.090 833 HE1 HIS 108 HE1 HIS 108 -30.016 5.687 -4.649 834 HE2 HIS 108 HE2 HIS 108 -28.946 7.893 -4.101 835 H GLU 109 HN GLU 109 -25.789 1.949 -2.120 836 HA GLU 109 HA GLU 109 -28.552 1.885 -1.575 837 HB2 GLU 109 HB2 GLU 109 -27.409 0.132 -2.864 838 HB3 GLU 109 HB1 GLU 109 -26.556 -0.372 -1.412 839 HG2 GLU 109 HG2 GLU 109 -28.654 -0.997 -0.365 840 HG3 GLU 109 HG1 GLU 109 -29.541 -0.449 -1.786 841 H LEU 110 HN LEU 110 -25.733 1.336 0.481 842 HA LEU 110 HA LEU 110 -27.082 0.330 2.724 843 HB2 LEU 110 HB2 LEU 110 -24.665 0.207 2.512 844 HB3 LEU 110 HB1 LEU 110 -24.548 1.954 2.545 845 HG LEU 110 HG LEU 110 -25.444 1.898 4.891 846 HD11 LEU 110 HD11 LEU 110 -26.564 -0.243 4.856 847 HD12 LEU 110 HD12 LEU 110 -25.322 -0.229 6.105 848 HD13 LEU 110 HD13 LEU 110 -25.032 -1.074 4.585 849 HD21 LEU 110 HD21 LEU 110 -23.337 1.144 5.888 850 HD22 LEU 110 HD22 LEU 110 -23.083 2.153 4.464 851 HD23 LEU 110 HD23 LEU 110 -22.887 0.402 4.350 852 H ILE 111 HN ILE 111 -26.199 3.660 1.849 853 HA ILE 111 HA ILE 111 -27.291 4.864 4.148 854 HB ILE 111 HB ILE 111 -26.930 6.088 1.404 855 HG12 ILE 111 HG12 ILE 111 -24.832 5.137 2.259 856 HG13 ILE 111 HG11 ILE 111 -24.769 6.894 2.226 857 HG21 ILE 111 HG21 ILE 111 -27.138 7.429 4.103 858 HG22 ILE 111 HG22 ILE 111 -28.394 7.391 2.865 859 HG23 ILE 111 HG23 ILE 111 -26.874 8.230 2.554 860 HD11 ILE 111 HD11 ILE 111 -25.229 5.167 4.650 861 HD12 ILE 111 HD12 ILE 111 -25.208 6.931 4.644 862 HD13 ILE 111 HD13 ILE 111 -23.749 6.029 4.233 863 H SER 112 HN SER 112 -28.619 4.192 0.947 864 HA SER 112 HA SER 112 -31.026 5.577 1.261 865 HB2 SER 112 HB2 SER 112 -30.477 3.136 -0.438 866 HB3 SER 112 HB1 SER 112 -31.830 4.248 -0.641 867 HG SER 112 HG SER 112 -29.079 4.680 -1.100 868 H GLU 113 HN GLU 113 -30.280 2.118 1.916 869 HA GLU 113 HA GLU 113 -32.958 1.550 2.682 870 HB2 GLU 113 HB2 GLU 113 -32.143 -0.575 3.551 871 HB3 GLU 113 HB1 GLU 113 -31.500 -0.250 1.951 872 HG2 GLU 113 HG2 GLU 113 -29.362 0.344 2.888 873 HG3 GLU 113 HG1 GLU 113 -29.992 0.159 4.526 874 H LEU 114 HN LEU 114 -30.108 2.551 4.474 875 HA LEU 114 HA LEU 114 -31.148 2.264 7.062 876 HB2 LEU 114 HB2 LEU 114 -29.111 4.156 5.937 877 HB3 LEU 114 HB1 LEU 114 -29.483 4.039 7.643 878 HG LEU 114 HG LEU 114 -28.440 1.759 5.975 879 HD11 LEU 114 HD11 LEU 114 -26.317 2.178 7.056 880 HD12 LEU 114 HD12 LEU 114 -27.008 3.575 7.886 881 HD13 LEU 114 HD13 LEU 114 -26.841 3.587 6.127 882 HD21 LEU 114 HD21 LEU 114 -29.671 1.001 7.918 883 HD22 LEU 114 HD22 LEU 114 -28.780 2.118 8.949 884 HD23 LEU 114 HD23 LEU 114 -27.941 0.770 8.179 885 H SER 115 HN SER 115 -31.245 4.936 4.751 886 HA SER 115 HA SER 115 -32.543 6.766 6.488 887 HB2 SER 115 HB2 SER 115 -32.324 6.771 3.476 888 HB3 SER 115 HB1 SER 115 -32.838 8.136 4.468 889 HG SER 115 HG SER 115 -30.295 6.896 4.346 890 H ARG 116 HN ARG 116 -33.732 4.609 3.933 891 HA ARG 116 HA ARG 116 -36.397 5.590 4.034 892 HB2 ARG 116 HB2 ARG 116 -35.301 3.008 2.925 893 HB3 ARG 116 HB1 ARG 116 -36.975 3.514 2.753 894 HG2 ARG 116 HG2 ARG 116 -34.575 5.005 1.703 895 HG3 ARG 116 HG1 ARG 116 -35.673 4.009 0.749 896 HD2 ARG 116 HD2 ARG 116 -37.532 5.514 1.377 897 HD3 ARG 116 HD1 ARG 116 -36.383 6.531 2.243 898 HE ARG 116 HE ARG 116 -36.364 6.083 -0.672 899 HH11 ARG 116 HH11 ARG 116 -35.683 8.134 2.113 900 HH12 ARG 116 HH12 ARG 116 -35.167 9.472 1.149 901 HH21 ARG 116 HH21 ARG 116 -35.695 7.879 -1.943 902 HH22 ARG 116 HH22 ARG 116 -35.173 9.327 -1.156 903 H GLU 117 HN GLU 117 -34.754 2.980 5.696 904 HA GLU 117 HA GLU 117 -35.327 1.685 7.467 905 HB2 GLU 117 HB2 GLU 117 -37.410 3.841 7.925 906 HB3 GLU 117 HB1 GLU 117 -36.950 2.610 9.087 907 HG2 GLU 117 HG2 GLU 117 -34.714 3.507 9.221 908 HG3 GLU 117 HG1 GLU 117 -35.090 4.699 7.981 909 H GLY 118 HN GLY 118 -36.009 0.346 5.566 910 HA2 GLY 118 HA2 GLY 118 -38.738 -0.546 6.094 911 HA3 GLY 118 HA1 GLY 118 -38.273 -0.181 4.440 912 H HIS 119 HN HIS 119 -38.530 -2.184 3.699 913 HA HIS 119 HA HIS 119 -36.413 -4.083 4.237 914 HB2 HIS 119 HB2 HIS 119 -38.375 -4.543 5.867 915 HB3 HIS 119 HB1 HIS 119 -39.275 -5.049 4.443 916 HD2 HIS 119 HD2 HIS 119 -36.484 -6.333 6.803 917 HE1 HIS 119 HE1 HIS 119 -37.295 -9.385 3.978 918 HE2 HIS 119 HE2 HIS 119 -36.029 -8.764 6.057 919 H HIS 120 HN HIS 120 -36.249 -5.668 2.501 920 HA HIS 120 HA HIS 120 -37.140 -4.621 -0.006 921 HB2 HIS 120 HB2 HIS 120 -35.607 -7.119 0.691 922 HB3 HIS 120 HB1 HIS 120 -36.063 -6.716 -0.958 923 HD2 HIS 120 HD2 HIS 120 -34.688 -4.509 -2.077 924 HE1 HIS 120 HE1 HIS 120 -31.840 -4.215 1.044 925 HE2 HIS 120 HE2 HIS 120 -32.488 -3.440 -1.253 926 H HIS 121 HN HIS 121 -38.491 -6.822 2.200 927 HA HIS 121 HA HIS 121 -40.362 -7.782 0.142 928 HB2 HIS 121 HB2 HIS 121 -39.590 -8.982 2.809 929 HB3 HIS 121 HB1 HIS 121 -40.979 -9.533 1.881 930 HD2 HIS 121 HD2 HIS 121 -37.080 -9.704 1.752 931 HE1 HIS 121 HE1 HIS 121 -38.659 -12.328 -1.175 932 HE2 HIS 121 HE2 HIS 121 -36.649 -11.716 0.189 933 H HIS 122 HN HIS 122 -42.516 -7.444 0.390 934 HA HIS 122 HA HIS 122 -43.300 -5.776 2.689 935 HB2 HIS 122 HB2 HIS 122 -44.287 -5.637 -0.175 936 HB3 HIS 122 HB1 HIS 122 -44.971 -4.723 1.165 937 HD2 HIS 122 HD2 HIS 122 -41.911 -4.654 -1.208 938 HE1 HIS 122 HE1 HIS 122 -41.645 -1.284 1.355 939 HE2 HIS 122 HE2 HIS 122 -40.749 -2.393 -0.718 940 H HIS 123 HN HIS 123 -43.381 -8.738 1.979 941 HA HIS 123 HA HIS 123 -46.177 -9.377 1.911 942 HB2 HIS 123 HB2 HIS 123 -44.561 -10.899 0.863 943 HB3 HIS 123 HB1 HIS 123 -43.726 -11.101 2.399 944 HD2 HIS 123 HD2 HIS 123 -47.198 -12.123 0.808 945 HE1 HIS 123 HE1 HIS 123 -46.251 -14.783 3.971 946 HE2 HIS 123 HE2 HIS 123 -47.917 -14.197 2.175 947 H HIS 124 HN HIS 124 -47.274 -8.705 3.645 948 HA HIS 124 HA HIS 124 -46.119 -9.027 6.279 949 HB2 HIS 124 HB2 HIS 124 -48.113 -7.797 7.107 950 HB3 HIS 124 HB1 HIS 124 -47.212 -6.910 5.888 951 HD2 HIS 124 HD2 HIS 124 -50.694 -8.659 6.307 952 HE1 HIS 124 HE1 HIS 124 -50.784 -6.299 2.786 953 HE2 HIS 124 HE2 HIS 124 -52.081 -7.848 4.285 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -29.108 10.539 -9.302 2 H2 MET 1 HT2 MET 1 -27.907 9.508 -9.906 3 H3 MET 1 HT3 MET 1 -29.529 9.218 -10.266 4 HA MET 1 HA MET 1 -29.682 11.223 -11.539 5 HB2 MET 1 HB2 MET 1 -27.783 12.646 -11.938 6 HB3 MET 1 HB1 MET 1 -27.903 12.446 -10.200 7 HG2 MET 1 HG2 MET 1 -26.003 10.958 -12.003 8 HG3 MET 1 HG1 MET 1 -25.588 12.351 -11.007 9 HE1 MET 1 HE1 MET 1 -25.914 10.939 -7.395 10 HE2 MET 1 HE2 MET 1 -27.159 11.800 -8.296 11 HE3 MET 1 HE3 MET 1 -25.478 12.326 -8.393 12 H SER 2 HN SER 2 -28.695 11.393 -13.804 13 HA SER 2 HA SER 2 -28.391 8.763 -14.843 14 HB2 SER 2 HB2 SER 2 -27.958 10.027 -17.009 15 HB3 SER 2 HB1 SER 2 -29.501 10.364 -16.228 16 HG SER 2 HG SER 2 -27.329 11.982 -15.542 17 H LEU 3 HN LEU 3 -26.621 7.646 -15.332 18 HA LEU 3 HA LEU 3 -24.487 6.943 -15.165 19 HB2 LEU 3 HB2 LEU 3 -24.422 8.214 -17.279 20 HB3 LEU 3 HB1 LEU 3 -23.918 9.638 -16.391 21 HG LEU 3 HG LEU 3 -21.831 8.493 -15.754 22 HD11 LEU 3 HD11 LEU 3 -21.217 6.403 -16.871 23 HD12 LEU 3 HD12 LEU 3 -22.851 6.277 -17.520 24 HD13 LEU 3 HD13 LEU 3 -22.584 6.201 -15.776 25 HD21 LEU 3 HD21 LEU 3 -21.885 9.899 -17.742 26 HD22 LEU 3 HD22 LEU 3 -22.375 8.512 -18.717 27 HD23 LEU 3 HD23 LEU 3 -20.783 8.535 -17.955 28 H GLY 4 HN GLY 4 -24.638 7.023 -12.843 29 HA2 GLY 4 HA2 GLY 4 -22.942 9.120 -11.657 30 HA3 GLY 4 HA1 GLY 4 -24.183 8.232 -10.783 31 H SER 5 HN SER 5 -21.073 8.551 -10.736 32 HA SER 5 HA SER 5 -20.211 5.838 -11.062 33 HB2 SER 5 HB2 SER 5 -18.034 6.778 -10.149 34 HB3 SER 5 HB1 SER 5 -18.616 7.499 -11.648 35 HG SER 5 HG SER 5 -18.679 9.339 -10.659 36 H GLU 6 HN GLU 6 -19.540 4.419 -9.463 37 HA GLU 6 HA GLU 6 -20.735 4.845 -6.832 38 HB2 GLU 6 HB2 GLU 6 -19.645 2.369 -8.184 39 HB3 GLU 6 HB1 GLU 6 -20.341 2.398 -6.575 40 HG2 GLU 6 HG2 GLU 6 -21.823 3.152 -9.084 41 HG3 GLU 6 HG1 GLU 6 -21.881 1.561 -8.332 42 H SER 7 HN SER 7 -17.975 5.576 -8.169 43 HA SER 7 HA SER 7 -16.155 4.459 -6.178 44 HB2 SER 7 HB2 SER 7 -15.518 4.367 -8.573 45 HB3 SER 7 HB1 SER 7 -15.546 6.129 -8.629 46 HG SER 7 HG SER 7 -13.952 5.957 -6.839 47 H GLU 8 HN GLU 8 -18.154 6.661 -5.649 48 HA GLU 8 HA GLU 8 -16.360 8.864 -4.971 49 HB2 GLU 8 HB2 GLU 8 -19.374 8.657 -4.899 50 HB3 GLU 8 HB1 GLU 8 -18.483 10.059 -4.321 51 HG2 GLU 8 HG2 GLU 8 -18.363 8.970 -7.129 52 HG3 GLU 8 HG1 GLU 8 -19.326 10.356 -6.608 53 H THR 9 HN THR 9 -16.675 6.147 -3.601 54 HA THR 9 HA THR 9 -17.607 6.544 -0.987 55 HB THR 9 HB THR 9 -15.472 4.657 -2.012 56 HG1 THR 9 HG1 THR 9 -18.232 4.170 -1.460 57 HG21 THR 9 HG21 THR 9 -15.923 3.328 0.004 58 HG22 THR 9 HG22 THR 9 -17.039 4.568 0.574 59 HG23 THR 9 HG23 THR 9 -15.323 4.932 0.420 60 H GLY 10 HN GLY 10 -14.344 6.804 -2.369 61 HA2 GLY 10 HA2 GLY 10 -12.488 7.956 -1.667 62 HA3 GLY 10 HA1 GLY 10 -13.571 8.942 -0.691 63 H ASN 11 HN ASN 11 -12.780 8.999 1.289 64 HA ASN 11 HA ASN 11 -11.742 6.507 2.470 65 HB2 ASN 11 HB2 ASN 11 -10.521 7.939 4.063 66 HB3 ASN 11 HB1 ASN 11 -10.094 8.313 2.396 67 HD21 ASN 11 HD21 ASN 11 -10.670 10.255 1.533 68 HD22 ASN 11 HD22 ASN 11 -11.256 11.573 2.482 69 H ALA 12 HN ALA 12 -14.568 7.767 2.288 70 HA ALA 12 HA ALA 12 -15.197 8.168 5.082 71 HB1 ALA 12 HB1 ALA 12 -16.284 9.549 3.378 72 HB2 ALA 12 HB2 ALA 12 -17.463 8.619 4.306 73 HB3 ALA 12 HB3 ALA 12 -17.014 8.104 2.679 74 H VAL 13 HN VAL 13 -15.947 6.687 6.424 75 HA VAL 13 HA VAL 13 -16.812 4.102 5.304 76 HB VAL 13 HB VAL 13 -16.113 3.053 7.433 77 HG11 VAL 13 HG11 VAL 13 -13.914 4.604 6.075 78 HG12 VAL 13 HG12 VAL 13 -14.552 3.036 5.583 79 HG13 VAL 13 HG13 VAL 13 -13.686 3.196 7.109 80 HG21 VAL 13 HG21 VAL 13 -16.349 4.980 8.907 81 HG22 VAL 13 HG22 VAL 13 -14.981 5.767 8.119 82 HG23 VAL 13 HG23 VAL 13 -14.736 4.281 9.039 83 H VAL 14 HN VAL 14 -18.506 3.014 6.387 84 HA VAL 14 HA VAL 14 -20.265 4.821 7.898 85 HB VAL 14 HB VAL 14 -21.039 2.388 6.251 86 HG11 VAL 14 HG11 VAL 14 -22.538 2.767 8.130 87 HG12 VAL 14 HG12 VAL 14 -23.341 3.142 6.605 88 HG13 VAL 14 HG13 VAL 14 -22.753 4.447 7.637 89 HG21 VAL 14 HG21 VAL 14 -21.452 5.316 5.640 90 HG22 VAL 14 HG22 VAL 14 -21.992 3.956 4.652 91 HG23 VAL 14 HG23 VAL 14 -20.269 4.266 4.863 92 H VAL 15 HN VAL 15 -20.364 4.348 9.980 93 HA VAL 15 HA VAL 15 -19.900 1.559 10.792 94 HB VAL 15 HB VAL 15 -19.618 3.914 12.653 95 HG11 VAL 15 HG11 VAL 15 -18.196 1.257 12.676 96 HG12 VAL 15 HG12 VAL 15 -19.732 1.522 13.483 97 HG13 VAL 15 HG13 VAL 15 -18.306 2.434 13.983 98 HG21 VAL 15 HG21 VAL 15 -17.190 3.918 12.186 99 HG22 VAL 15 HG22 VAL 15 -18.146 4.414 10.788 100 HG23 VAL 15 HG23 VAL 15 -17.464 2.787 10.858 101 H PHE 16 HN PHE 16 -21.483 0.541 11.834 102 HA PHE 16 HA PHE 16 -23.633 2.065 13.087 103 HB2 PHE 16 HB2 PHE 16 -25.374 0.720 11.898 104 HB3 PHE 16 HB1 PHE 16 -24.475 1.793 10.833 105 HD1 PHE 16 HD2 PHE 16 -22.889 0.884 9.212 106 HD2 PHE 16 HD1 PHE 16 -25.225 -1.667 11.690 107 HE1 PHE 16 HE2 PHE 16 -22.365 -1.015 7.742 108 HE2 PHE 16 HE1 PHE 16 -24.705 -3.572 10.222 109 HZ PHE 16 HZ PHE 16 -23.273 -3.245 8.245 110 H GLY 17 HN GLY 17 -25.203 0.517 14.207 111 HA2 GLY 17 HA2 GLY 17 -25.537 -1.642 15.229 112 HA3 GLY 17 HA1 GLY 17 -23.813 -1.938 15.062 113 H TYR 18 HN TYR 18 -24.731 1.157 16.184 114 HA TYR 18 HA TYR 18 -24.392 0.382 18.990 115 HB2 TYR 18 HB2 TYR 18 -22.971 2.471 19.267 116 HB3 TYR 18 HB1 TYR 18 -22.200 1.106 18.464 117 HD1 TYR 18 HD1 TYR 18 -23.821 4.396 17.868 118 HD2 TYR 18 HD2 TYR 18 -21.346 1.322 16.297 119 HE1 TYR 18 HE1 TYR 18 -23.240 5.838 15.963 120 HE2 TYR 18 HE2 TYR 18 -20.763 2.762 14.403 121 HH TYR 18 HH TYR 18 -21.667 4.651 13.203 122 H ARG 19 HN ARG 19 -25.144 2.025 20.491 123 HA ARG 19 HA ARG 19 -27.392 3.480 19.310 124 HB2 ARG 19 HB2 ARG 19 -27.773 1.719 21.095 125 HB3 ARG 19 HB1 ARG 19 -26.983 2.813 22.225 126 HG2 ARG 19 HG2 ARG 19 -28.702 4.466 21.889 127 HG3 ARG 19 HG1 ARG 19 -29.456 3.469 20.649 128 HD2 ARG 19 HD2 ARG 19 -29.169 2.791 23.573 129 HD3 ARG 19 HD1 ARG 19 -30.656 3.226 22.736 130 HE ARG 19 HE ARG 19 -29.233 0.680 22.580 131 HH11 ARG 19 HH11 ARG 19 -31.920 2.648 21.458 132 HH12 ARG 19 HH12 ARG 19 -32.757 1.324 20.732 133 HH21 ARG 19 HH21 ARG 19 -30.335 -1.084 21.611 134 HH22 ARG 19 HH22 ARG 19 -31.846 -0.820 20.812 135 H GLU 20 HN GLU 20 -27.917 5.575 20.263 136 HA GLU 20 HA GLU 20 -25.696 7.311 20.039 137 HB2 GLU 20 HB2 GLU 20 -28.080 7.735 19.340 138 HB3 GLU 20 HB1 GLU 20 -28.461 7.965 21.033 139 HG2 GLU 20 HG2 GLU 20 -26.948 9.914 21.104 140 HG3 GLU 20 HG1 GLU 20 -26.571 9.656 19.405 141 H ALA 21 HN ALA 21 -26.620 5.511 22.671 142 HA ALA 21 HA ALA 21 -26.119 7.543 24.700 143 HB1 ALA 21 HB1 ALA 21 -27.999 6.019 24.998 144 HB2 ALA 21 HB2 ALA 21 -26.825 5.871 26.305 145 HB3 ALA 21 HB3 ALA 21 -26.888 4.653 25.034 146 H ILE 22 HN ILE 22 -24.258 5.210 23.030 147 HA ILE 22 HA ILE 22 -22.402 4.863 25.297 148 HB ILE 22 HB ILE 22 -21.274 3.145 23.986 149 HG12 ILE 22 HG12 ILE 22 -23.348 3.372 21.820 150 HG13 ILE 22 HG11 ILE 22 -21.897 4.372 21.759 151 HG21 ILE 22 HG21 ILE 22 -23.089 1.496 23.851 152 HG22 ILE 22 HG22 ILE 22 -24.266 2.801 23.998 153 HG23 ILE 22 HG23 ILE 22 -23.164 2.452 25.329 154 HD11 ILE 22 HD11 ILE 22 -22.089 1.373 21.673 155 HD12 ILE 22 HD12 ILE 22 -20.575 2.241 21.939 156 HD13 ILE 22 HD13 ILE 22 -21.463 2.478 20.440 157 H THR 23 HN THR 23 -22.541 7.427 23.936 158 HA THR 23 HA THR 23 -20.699 7.691 21.843 159 HB THR 23 HB THR 23 -21.243 9.853 23.860 160 HG1 THR 23 HG1 THR 23 -22.960 8.620 22.032 161 HG21 THR 23 HG21 THR 23 -21.038 11.266 21.827 162 HG22 THR 23 HG22 THR 23 -20.627 9.813 20.914 163 HG23 THR 23 HG23 THR 23 -19.567 10.368 22.203 164 H LYS 24 HN LYS 24 -20.244 8.402 25.330 165 HA LYS 24 HA LYS 24 -17.578 9.204 25.137 166 HB2 LYS 24 HB2 LYS 24 -18.720 7.866 27.570 167 HB3 LYS 24 HB1 LYS 24 -17.573 9.193 27.479 168 HG2 LYS 24 HG2 LYS 24 -20.516 9.336 26.838 169 HG3 LYS 24 HG1 LYS 24 -19.727 9.952 28.281 170 HD2 LYS 24 HD2 LYS 24 -18.445 11.503 26.873 171 HD3 LYS 24 HD1 LYS 24 -19.288 10.935 25.450 172 HE2 LYS 24 HE2 LYS 24 -21.417 11.617 26.397 173 HE3 LYS 24 HE1 LYS 24 -20.605 12.181 27.854 174 HZ1 LYS 24 HZ1 LYS 24 -21.146 13.943 26.209 175 HZ2 LYS 24 HZ2 LYS 24 -20.051 13.215 25.143 176 HZ3 LYS 24 HZ3 LYS 24 -19.501 13.848 26.614 177 H GLN 25 HN GLN 25 -19.070 6.073 25.734 178 HA GLN 25 HA GLN 25 -16.767 4.649 26.509 179 HB2 GLN 25 HB2 GLN 25 -19.298 3.703 25.177 180 HB3 GLN 25 HB1 GLN 25 -18.077 2.633 25.852 181 HG2 GLN 25 HG2 GLN 25 -18.457 3.563 28.043 182 HG3 GLN 25 HG1 GLN 25 -19.658 4.679 27.387 183 HE21 GLN 25 HE21 GLN 25 -21.355 3.897 28.557 184 HE22 GLN 25 HE22 GLN 25 -22.036 2.322 28.324 185 H ILE 26 HN ILE 26 -18.421 4.686 23.358 186 HA ILE 26 HA ILE 26 -16.434 3.130 22.124 187 HB ILE 26 HB ILE 26 -18.911 3.423 21.484 188 HG12 ILE 26 HG12 ILE 26 -16.936 3.482 19.213 189 HG13 ILE 26 HG11 ILE 26 -17.117 2.117 20.317 190 HG21 ILE 26 HG21 ILE 26 -18.991 5.818 21.193 191 HG22 ILE 26 HG22 ILE 26 -19.300 5.036 19.640 192 HG23 ILE 26 HG23 ILE 26 -17.717 5.739 19.973 193 HD11 ILE 26 HD11 ILE 26 -18.346 1.761 18.264 194 HD12 ILE 26 HD12 ILE 26 -19.261 3.244 18.538 195 HD13 ILE 26 HD13 ILE 26 -19.435 1.882 19.646 196 H LEU 27 HN LEU 27 -16.859 6.579 22.504 197 HA LEU 27 HA LEU 27 -15.123 7.457 20.483 198 HB2 LEU 27 HB2 LEU 27 -16.634 8.967 21.637 199 HB3 LEU 27 HB1 LEU 27 -15.782 8.712 23.144 200 HG LEU 27 HG LEU 27 -13.753 9.735 22.068 201 HD11 LEU 27 HD11 LEU 27 -14.097 11.105 20.083 202 HD12 LEU 27 HD12 LEU 27 -15.742 10.484 19.933 203 HD13 LEU 27 HD13 LEU 27 -14.367 9.396 19.747 204 HD21 LEU 27 HD21 LEU 27 -14.569 12.030 22.312 205 HD22 LEU 27 HD22 LEU 27 -15.163 10.989 23.605 206 HD23 LEU 27 HD23 LEU 27 -16.230 11.445 22.278 207 H ALA 28 HN ALA 28 -14.499 6.688 23.890 208 HA ALA 28 HA ALA 28 -11.784 7.359 23.921 209 HB1 ALA 28 HB1 ALA 28 -13.225 5.288 25.574 210 HB2 ALA 28 HB2 ALA 28 -13.083 7.006 25.958 211 HB3 ALA 28 HB3 ALA 28 -11.645 5.982 25.938 212 H TYR 29 HN TYR 29 -13.399 4.653 22.568 213 HA TYR 29 HA TYR 29 -11.032 2.976 22.505 214 HB2 TYR 29 HB2 TYR 29 -13.288 1.987 22.850 215 HB3 TYR 29 HB1 TYR 29 -13.752 2.527 21.242 216 HD1 TYR 29 HD2 TYR 29 -12.696 1.499 19.252 217 HD2 TYR 29 HD1 TYR 29 -11.981 0.009 23.171 218 HE1 TYR 29 HE2 TYR 29 -11.848 -0.583 18.290 219 HE2 TYR 29 HE1 TYR 29 -11.126 -2.089 22.224 220 HH TYR 29 HH TYR 29 -10.183 -2.452 19.116 221 H PHE 30 HN PHE 30 -13.055 4.721 20.152 222 HA PHE 30 HA PHE 30 -11.223 3.973 18.005 223 HB2 PHE 30 HB2 PHE 30 -13.959 5.194 18.010 224 HB3 PHE 30 HB1 PHE 30 -12.962 5.136 16.560 225 HD1 PHE 30 HD2 PHE 30 -12.428 3.033 15.497 226 HD2 PHE 30 HD1 PHE 30 -14.935 3.199 18.929 227 HE1 PHE 30 HE2 PHE 30 -13.196 0.742 15.045 228 HE2 PHE 30 HE1 PHE 30 -15.706 0.912 18.481 229 HZ PHE 30 HZ PHE 30 -14.836 -0.317 16.541 230 H ALA 31 HN ALA 31 -11.359 6.452 20.130 231 HA ALA 31 HA ALA 31 -11.311 8.838 18.794 232 HB1 ALA 31 HB1 ALA 31 -11.284 8.657 21.190 233 HB2 ALA 31 HB2 ALA 31 -9.992 9.729 20.633 234 HB3 ALA 31 HB3 ALA 31 -9.616 8.083 21.150 235 H GLN 32 HN GLN 32 -8.748 6.476 18.804 236 HA GLN 32 HA GLN 32 -6.601 8.115 18.009 237 HB2 GLN 32 HB2 GLN 32 -7.176 5.191 17.493 238 HB3 GLN 32 HB1 GLN 32 -5.690 5.975 16.985 239 HG2 GLN 32 HG2 GLN 32 -5.271 4.819 19.039 240 HG3 GLN 32 HG1 GLN 32 -5.211 6.552 19.340 241 HE21 GLN 32 HE21 GLN 32 -5.606 6.312 21.524 242 HE22 GLN 32 HE22 GLN 32 -7.145 5.835 22.153 243 H PHE 33 HN PHE 33 -9.277 6.766 16.257 244 HA PHE 33 HA PHE 33 -8.676 8.356 13.955 245 HB2 PHE 33 HB2 PHE 33 -8.798 6.260 12.433 246 HB3 PHE 33 HB1 PHE 33 -7.270 6.635 13.223 247 HD1 PHE 33 HD1 PHE 33 -10.263 4.462 13.432 248 HD2 PHE 33 HD2 PHE 33 -6.247 5.093 14.664 249 HE1 PHE 33 HE1 PHE 33 -10.211 2.197 14.385 250 HE2 PHE 33 HE2 PHE 33 -6.182 2.836 15.627 251 HZ PHE 33 HZ PHE 33 -8.164 1.380 15.489 252 H GLY 34 HN GLY 34 -10.860 8.681 15.479 253 HA2 GLY 34 HA2 GLY 34 -13.000 8.263 13.660 254 HA3 GLY 34 HA1 GLY 34 -13.087 7.075 14.942 255 H GLU 35 HN GLU 35 -14.330 9.882 13.971 256 HA GLU 35 HA GLU 35 -14.710 11.020 16.663 257 HB2 GLU 35 HB2 GLU 35 -14.017 12.523 14.777 258 HB3 GLU 35 HB1 GLU 35 -15.504 12.124 13.948 259 HG2 GLU 35 HG2 GLU 35 -16.800 13.180 15.715 260 HG3 GLU 35 HG1 GLU 35 -15.320 13.536 16.608 261 H ILE 36 HN ILE 36 -16.197 9.558 17.487 262 HA ILE 36 HA ILE 36 -18.396 8.775 15.761 263 HB ILE 36 HB ILE 36 -18.408 7.654 18.475 264 HG12 ILE 36 HG12 ILE 36 -15.924 7.870 17.994 265 HG13 ILE 36 HG11 ILE 36 -16.488 6.220 18.220 266 HG21 ILE 36 HG21 ILE 36 -18.408 6.455 15.719 267 HG22 ILE 36 HG22 ILE 36 -19.837 6.902 16.653 268 HG23 ILE 36 HG23 ILE 36 -18.782 5.602 17.219 269 HD11 ILE 36 HD11 ILE 36 -16.412 5.808 15.874 270 HD12 ILE 36 HD12 ILE 36 -14.870 6.528 16.364 271 HD13 ILE 36 HD13 ILE 36 -16.088 7.509 15.537 272 H LEU 37 HN LEU 37 -20.341 9.537 15.890 273 HA LEU 37 HA LEU 37 -22.208 10.575 16.553 274 HB2 LEU 37 HB2 LEU 37 -21.112 9.735 19.194 275 HB3 LEU 37 HB1 LEU 37 -22.563 10.708 19.135 276 HG LEU 37 HG LEU 37 -23.635 8.922 17.761 277 HD11 LEU 37 HD11 LEU 37 -21.134 7.391 18.410 278 HD12 LEU 37 HD12 LEU 37 -21.658 7.913 16.809 279 HD13 LEU 37 HD13 LEU 37 -22.598 6.717 17.700 280 HD21 LEU 37 HD21 LEU 37 -23.866 7.309 19.605 281 HD22 LEU 37 HD22 LEU 37 -24.047 8.985 20.125 282 HD23 LEU 37 HD23 LEU 37 -22.543 8.118 20.440 283 H GLU 38 HN GLU 38 -22.809 12.353 18.592 284 HA GLU 38 HA GLU 38 -21.028 14.578 17.863 285 HB2 GLU 38 HB2 GLU 38 -24.024 14.417 17.975 286 HB3 GLU 38 HB1 GLU 38 -23.140 15.938 17.811 287 HG2 GLU 38 HG2 GLU 38 -22.219 15.235 15.707 288 HG3 GLU 38 HG1 GLU 38 -22.898 13.623 15.900 289 H ASP 39 HN ASP 39 -21.532 12.843 20.435 290 HA ASP 39 HA ASP 39 -21.833 15.159 22.234 291 HB2 ASP 39 HB2 ASP 39 -23.785 13.778 22.537 292 HB3 ASP 39 HB1 ASP 39 -22.802 12.328 22.690 293 H LEU 40 HN LEU 40 -19.619 15.458 22.135 294 HA LEU 40 HA LEU 40 -17.835 13.338 22.974 295 HB2 LEU 40 HB2 LEU 40 -17.220 16.195 22.221 296 HB3 LEU 40 HB1 LEU 40 -16.065 14.892 22.384 297 HG LEU 40 HG LEU 40 -18.225 15.073 20.280 298 HD11 LEU 40 HD11 LEU 40 -16.366 15.360 18.730 299 HD12 LEU 40 HD12 LEU 40 -15.247 15.421 20.097 300 HD13 LEU 40 HD13 LEU 40 -16.477 16.673 19.904 301 HD21 LEU 40 HD21 LEU 40 -17.755 12.751 20.892 302 HD22 LEU 40 HD22 LEU 40 -16.033 13.022 20.627 303 HD23 LEU 40 HD23 LEU 40 -17.160 13.119 19.278 304 H GLU 41 HN GLU 41 -18.111 16.745 23.873 305 HA GLU 41 HA GLU 41 -17.742 17.907 25.765 306 HB2 GLU 41 HB2 GLU 41 -19.034 15.481 26.995 307 HB3 GLU 41 HB1 GLU 41 -18.767 16.997 27.845 308 HG2 GLU 41 HG2 GLU 41 -20.480 16.602 25.400 309 HG3 GLU 41 HG1 GLU 41 -21.055 16.815 27.053 310 H SER 42 HN SER 42 -17.300 14.959 27.618 311 HA SER 42 HA SER 42 -14.594 15.788 28.278 312 HB2 SER 42 HB2 SER 42 -16.195 13.480 29.412 313 HB3 SER 42 HB1 SER 42 -14.764 14.236 30.114 314 HG SER 42 HG SER 42 -16.293 15.253 31.179 315 H GLU 43 HN GLU 43 -13.235 15.149 26.736 316 HA GLU 43 HA GLU 43 -13.681 12.563 25.471 317 HB2 GLU 43 HB2 GLU 43 -11.808 14.745 24.567 318 HB3 GLU 43 HB1 GLU 43 -12.380 13.361 23.654 319 HG2 GLU 43 HG2 GLU 43 -14.624 14.184 23.638 320 HG3 GLU 43 HG1 GLU 43 -14.184 15.535 24.674 321 H LEU 44 HN LEU 44 -10.471 13.827 25.210 322 HA LEU 44 HA LEU 44 -9.581 11.694 26.996 323 HB2 LEU 44 HB2 LEU 44 -8.212 12.660 24.491 324 HB3 LEU 44 HB1 LEU 44 -7.688 11.358 25.527 325 HG LEU 44 HG LEU 44 -9.928 10.209 24.864 326 HD11 LEU 44 HD11 LEU 44 -10.883 12.245 23.815 327 HD12 LEU 44 HD12 LEU 44 -10.852 10.844 22.742 328 HD13 LEU 44 HD13 LEU 44 -9.652 12.126 22.554 329 HD21 LEU 44 HD21 LEU 44 -8.934 9.235 22.930 330 HD22 LEU 44 HD22 LEU 44 -7.668 9.520 24.138 331 HD23 LEU 44 HD23 LEU 44 -7.841 10.613 22.752 332 H GLY 45 HN GLY 45 -7.914 14.398 25.314 333 HA2 GLY 45 HA2 GLY 45 -7.149 15.484 27.943 334 HA3 GLY 45 HA1 GLY 45 -5.866 14.980 26.852 335 H ASP 46 HN ASP 46 -5.305 17.336 27.238 336 HA ASP 46 HA ASP 46 -6.878 19.134 25.518 337 HB2 ASP 46 HB2 ASP 46 -5.932 20.976 26.707 338 HB3 ASP 46 HB1 ASP 46 -6.441 19.800 27.912 339 H THR 47 HN THR 47 -4.216 17.210 25.320 340 HA THR 47 HA THR 47 -2.515 18.987 23.771 341 HB THR 47 HB THR 47 -1.523 17.164 25.169 342 HG1 THR 47 HG1 THR 47 -0.985 17.660 22.551 343 HG21 THR 47 HG21 THR 47 -2.818 15.331 23.145 344 HG22 THR 47 HG22 THR 47 -3.236 15.455 24.855 345 HG23 THR 47 HG23 THR 47 -1.655 14.835 24.373 346 H GLU 48 HN GLU 48 -5.334 17.646 23.197 347 HA GLU 48 HA GLU 48 -4.897 16.636 20.512 348 HB2 GLU 48 HB2 GLU 48 -7.253 16.810 22.331 349 HB3 GLU 48 HB1 GLU 48 -7.311 16.160 20.690 350 HG2 GLU 48 HG2 GLU 48 -5.676 14.471 21.264 351 HG3 GLU 48 HG1 GLU 48 -5.526 15.138 22.885 352 H THR 49 HN THR 49 -4.550 19.505 21.309 353 HA THR 49 HA THR 49 -6.449 21.053 19.933 354 HB THR 49 HB THR 49 -3.468 21.610 20.002 355 HG1 THR 49 HG1 THR 49 -3.613 22.107 22.093 356 HG21 THR 49 HG21 THR 49 -4.873 23.166 18.701 357 HG22 THR 49 HG22 THR 49 -4.184 23.949 20.123 358 HG23 THR 49 HG23 THR 49 -5.872 23.442 20.129 359 H MET 50 HN MET 50 -3.752 19.091 19.041 360 HA MET 50 HA MET 50 -4.162 19.614 16.197 361 HB2 MET 50 HB2 MET 50 -1.871 19.941 16.941 362 HB3 MET 50 HB1 MET 50 -1.855 18.355 17.702 363 HG2 MET 50 HG2 MET 50 -2.008 17.288 15.524 364 HG3 MET 50 HG1 MET 50 -2.113 18.856 14.735 365 HE1 MET 50 HE1 MET 50 0.213 17.718 17.755 366 HE2 MET 50 HE2 MET 50 1.638 17.191 16.858 367 HE3 MET 50 HE3 MET 50 0.112 16.325 16.682 368 H ARG 51 HN ARG 51 -5.994 18.335 15.940 369 HA ARG 51 HA ARG 51 -5.599 15.429 16.215 370 HB2 ARG 51 HB2 ARG 51 -8.064 17.112 16.531 371 HB3 ARG 51 HB1 ARG 51 -8.178 15.411 16.135 372 HG2 ARG 51 HG2 ARG 51 -7.139 14.801 18.277 373 HG3 ARG 51 HG1 ARG 51 -6.855 16.520 18.623 374 HD2 ARG 51 HD2 ARG 51 -9.111 16.936 18.912 375 HD3 ARG 51 HD1 ARG 51 -9.565 15.504 18.006 376 HE ARG 51 HE ARG 51 -8.230 14.622 20.261 377 HH11 ARG 51 HH11 ARG 51 -11.111 16.488 19.598 378 HH12 ARG 51 HH12 ARG 51 -12.005 15.787 20.911 379 HH21 ARG 51 HH21 ARG 51 -9.397 13.761 21.998 380 HH22 ARG 51 HH22 ARG 51 -11.043 14.274 22.268 381 H THR 52 HN THR 52 -6.092 14.133 14.472 382 HA THR 52 HA THR 52 -7.452 14.593 12.094 383 HB THR 52 HB THR 52 -5.653 16.554 12.065 384 HG1 THR 52 HG1 THR 52 -5.307 15.945 9.665 385 HG21 THR 52 HG21 THR 52 -3.688 15.260 12.593 386 HG22 THR 52 HG22 THR 52 -3.528 15.898 10.955 387 HG23 THR 52 HG23 THR 52 -3.963 14.207 11.205 388 HA PRO 53 HA PRO 53 -6.397 10.364 11.363 389 HB2 PRO 53 HB2 PRO 53 -5.197 10.779 8.769 390 HB3 PRO 53 HB1 PRO 53 -6.779 10.104 9.147 391 HG2 PRO 53 HG2 PRO 53 -6.074 12.826 8.304 392 HG3 PRO 53 HG1 PRO 53 -7.636 12.005 8.257 393 HD2 PRO 53 HD2 PRO 53 -7.077 14.023 9.959 394 HD3 PRO 53 HD1 PRO 53 -8.207 12.711 10.356 395 H GLY 54 HN GLY 54 -4.716 9.298 12.176 396 HA2 GLY 54 HA2 GLY 54 -2.441 8.545 12.015 397 HA3 GLY 54 HA1 GLY 54 -1.992 10.156 11.464 398 H TYR 55 HN TYR 55 -3.879 11.245 13.534 399 HA TYR 55 HA TYR 55 -2.153 10.895 15.895 400 HB2 TYR 55 HB2 TYR 55 -3.671 13.314 14.888 401 HB3 TYR 55 HB1 TYR 55 -3.054 13.222 16.526 402 HD1 TYR 55 HD2 TYR 55 -0.587 13.130 16.892 403 HD2 TYR 55 HD1 TYR 55 -2.267 13.847 13.052 404 HE1 TYR 55 HE2 TYR 55 1.569 14.030 16.122 405 HE2 TYR 55 HE1 TYR 55 -0.120 14.752 12.276 406 HH TYR 55 HH TYR 55 1.884 15.762 13.221 407 H PHE 56 HN PHE 56 -5.342 12.165 15.130 408 HA PHE 56 HA PHE 56 -6.732 10.206 16.735 409 HB2 PHE 56 HB2 PHE 56 -6.775 13.159 17.435 410 HB3 PHE 56 HB1 PHE 56 -7.932 11.993 18.054 411 HD1 PHE 56 HD2 PHE 56 -7.068 10.124 19.539 412 HD2 PHE 56 HD1 PHE 56 -4.711 13.503 18.467 413 HE1 PHE 56 HE2 PHE 56 -5.556 9.666 21.428 414 HE2 PHE 56 HE1 PHE 56 -3.196 13.053 20.347 415 HZ PHE 56 HZ PHE 56 -3.615 11.135 21.831 416 H PHE 57 HN PHE 57 -9.177 11.563 16.814 417 HA PHE 57 HA PHE 57 -9.847 11.550 14.041 418 HB2 PHE 57 HB2 PHE 57 -12.162 12.100 14.868 419 HB3 PHE 57 HB1 PHE 57 -11.485 10.623 15.492 420 HD1 PHE 57 HD2 PHE 57 -10.601 10.601 17.785 421 HD2 PHE 57 HD1 PHE 57 -12.883 13.789 16.224 422 HE1 PHE 57 HE2 PHE 57 -11.144 11.302 20.040 423 HE2 PHE 57 HE1 PHE 57 -13.439 14.504 18.485 424 HZ PHE 57 HZ PHE 57 -12.576 13.262 20.422 425 H GLN 58 HN GLN 58 -10.816 13.269 12.864 426 HA GLN 58 HA GLN 58 -9.200 15.580 12.857 427 HB2 GLN 58 HB2 GLN 58 -10.528 16.311 10.950 428 HB3 GLN 58 HB1 GLN 58 -10.104 14.610 10.826 429 HG2 GLN 58 HG2 GLN 58 -12.775 15.600 11.812 430 HG3 GLN 58 HG1 GLN 58 -12.439 15.170 10.136 431 HE21 GLN 58 HE21 GLN 58 -14.250 14.011 12.251 432 HE22 GLN 58 HE22 GLN 58 -13.856 12.330 12.234 433 H GLN 59 HN GLN 59 -11.253 15.359 15.223 434 HA GLN 59 HA GLN 59 -12.960 17.582 14.906 435 HB2 GLN 59 HB2 GLN 59 -13.518 15.735 16.374 436 HB3 GLN 59 HB1 GLN 59 -12.104 16.058 17.360 437 HG2 GLN 59 HG2 GLN 59 -13.896 18.341 17.073 438 HG3 GLN 59 HG1 GLN 59 -14.638 16.947 17.863 439 HE21 GLN 59 HE21 GLN 59 -14.737 17.871 19.879 440 HE22 GLN 59 HE22 GLN 59 -13.338 18.205 20.833 441 H ALA 60 HN ALA 60 -12.744 19.567 15.606 442 HA ALA 60 HA ALA 60 -10.082 20.607 16.093 443 HB1 ALA 60 HB1 ALA 60 -11.509 21.842 14.569 444 HB2 ALA 60 HB2 ALA 60 -11.189 22.831 15.989 445 HB3 ALA 60 HB3 ALA 60 -12.744 22.016 15.814 446 HA PRO 61 HA PRO 61 -10.200 20.648 20.478 447 HB2 PRO 61 HB2 PRO 61 -9.058 23.123 20.981 448 HB3 PRO 61 HB1 PRO 61 -8.162 21.646 20.634 449 HG2 PRO 61 HG2 PRO 61 -8.925 23.879 18.786 450 HG3 PRO 61 HG1 PRO 61 -7.398 22.978 18.875 451 HD2 PRO 61 HD2 PRO 61 -9.184 22.447 16.974 452 HD3 PRO 61 HD1 PRO 61 -8.278 21.135 17.755 453 H ASN 62 HN ASN 62 -11.579 23.346 18.740 454 HA ASN 62 HA ASN 62 -13.027 24.207 21.096 455 HB2 ASN 62 HB2 ASN 62 -13.070 25.282 18.277 456 HB3 ASN 62 HB1 ASN 62 -14.013 25.947 19.604 457 HD21 ASN 62 HD21 ASN 62 -11.806 25.442 21.533 458 HD22 ASN 62 HD22 ASN 62 -10.641 26.676 21.216 459 H ARG 63 HN ARG 63 -13.858 22.893 17.883 460 HA ARG 63 HA ARG 63 -16.327 21.854 19.078 461 HB2 ARG 63 HB2 ARG 63 -16.169 23.487 16.570 462 HB3 ARG 63 HB1 ARG 63 -17.532 22.457 16.953 463 HG2 ARG 63 HG2 ARG 63 -17.972 23.767 18.947 464 HG3 ARG 63 HG1 ARG 63 -16.576 24.792 18.583 465 HD2 ARG 63 HD2 ARG 63 -17.579 25.433 16.476 466 HD3 ARG 63 HD1 ARG 63 -18.967 24.389 16.801 467 HE ARG 63 HE ARG 63 -18.873 26.056 18.944 468 HH11 ARG 63 HH11 ARG 63 -18.940 26.583 15.472 469 HH12 ARG 63 HH12 ARG 63 -19.833 28.059 15.583 470 HH21 ARG 63 HH21 ARG 63 -20.070 27.991 19.098 471 HH22 ARG 63 HH22 ARG 63 -20.499 28.857 17.660 472 H ARG 64 HN ARG 64 -17.285 20.144 18.045 473 HA ARG 64 HA ARG 64 -15.768 18.186 16.774 474 HB2 ARG 64 HB2 ARG 64 -17.837 17.029 16.404 475 HB3 ARG 64 HB1 ARG 64 -17.954 17.844 17.954 476 HG2 ARG 64 HG2 ARG 64 -19.092 18.935 15.397 477 HG3 ARG 64 HG1 ARG 64 -20.022 17.959 16.540 478 HD2 ARG 64 HD2 ARG 64 -19.604 19.663 18.281 479 HD3 ARG 64 HD1 ARG 64 -18.697 20.617 17.113 480 HE ARG 64 HE ARG 64 -20.690 21.172 16.013 481 HH11 ARG 64 HH11 ARG 64 -21.255 19.182 18.863 482 HH12 ARG 64 HH12 ARG 64 -22.941 19.562 18.948 483 HH21 ARG 64 HH21 ARG 64 -22.933 21.680 16.139 484 HH22 ARG 64 HH22 ARG 64 -23.896 20.992 17.404 485 H ARG 65 HN ARG 65 -15.398 17.654 14.623 486 HA ARG 65 HA ARG 65 -16.329 19.654 12.697 487 HB2 ARG 65 HB2 ARG 65 -13.828 18.018 12.699 488 HB3 ARG 65 HB1 ARG 65 -14.391 18.935 11.315 489 HG2 ARG 65 HG2 ARG 65 -14.295 20.979 12.619 490 HG3 ARG 65 HG1 ARG 65 -13.747 20.032 14.014 491 HD2 ARG 65 HD2 ARG 65 -11.857 21.071 12.931 492 HD3 ARG 65 HD1 ARG 65 -11.787 19.322 12.716 493 HE ARG 65 HE ARG 65 -12.908 21.004 10.588 494 HH11 ARG 65 HH11 ARG 65 -10.421 18.800 11.697 495 HH12 ARG 65 HH12 ARG 65 -9.657 18.661 10.153 496 HH21 ARG 65 HH21 ARG 65 -11.910 20.840 8.532 497 HH22 ARG 65 HH22 ARG 65 -10.521 19.823 8.326 498 H ILE 66 HN ILE 66 -17.062 16.722 13.720 499 HA ILE 66 HA ILE 66 -17.143 15.046 11.570 500 HB ILE 66 HB ILE 66 -17.819 14.213 13.731 501 HG12 ILE 66 HG12 ILE 66 -20.433 14.160 12.271 502 HG13 ILE 66 HG11 ILE 66 -19.023 13.380 11.567 503 HG21 ILE 66 HG21 ILE 66 -18.739 16.404 14.494 504 HG22 ILE 66 HG22 ILE 66 -19.573 14.951 15.051 505 HG23 ILE 66 HG23 ILE 66 -20.271 15.920 13.754 506 HD11 ILE 66 HD11 ILE 66 -20.202 12.766 14.282 507 HD12 ILE 66 HD12 ILE 66 -18.822 11.958 13.536 508 HD13 ILE 66 HD13 ILE 66 -20.421 11.814 12.814 509 H SER 67 HN SER 67 -20.059 16.892 12.486 510 HA SER 67 HA SER 67 -21.804 17.677 11.279 511 HB2 SER 67 HB2 SER 67 -20.030 19.416 11.043 512 HB3 SER 67 HB1 SER 67 -19.577 18.693 9.503 513 HG SER 67 HG SER 67 -22.180 19.073 9.428 514 H ARG 68 HN ARG 68 -20.786 14.952 10.332 515 HA ARG 68 HA ARG 68 -21.457 14.970 7.527 516 HB2 ARG 68 HB2 ARG 68 -20.300 13.029 9.402 517 HB3 ARG 68 HB1 ARG 68 -21.386 12.313 8.223 518 HG2 ARG 68 HG2 ARG 68 -19.107 12.254 7.406 519 HG3 ARG 68 HG1 ARG 68 -20.075 13.344 6.414 520 HD2 ARG 68 HD2 ARG 68 -19.202 15.227 7.804 521 HD3 ARG 68 HD1 ARG 68 -18.102 14.079 8.560 522 HE ARG 68 HE ARG 68 -17.791 13.869 5.807 523 HH11 ARG 68 HH11 ARG 68 -17.222 16.220 8.370 524 HH12 ARG 68 HH12 ARG 68 -15.954 17.030 7.511 525 HH21 ARG 68 HH21 ARG 68 -16.131 14.972 4.666 526 HH22 ARG 68 HH22 ARG 68 -15.336 16.323 5.401 527 H GLU 69 HN GLU 69 -23.242 13.993 6.577 528 HA GLU 69 HA GLU 69 -25.604 14.204 8.156 529 HB2 GLU 69 HB2 GLU 69 -25.590 14.871 5.792 530 HB3 GLU 69 HB1 GLU 69 -25.264 13.209 5.325 531 HG2 GLU 69 HG2 GLU 69 -27.404 12.501 6.166 532 HG3 GLU 69 HG1 GLU 69 -27.729 14.113 6.795 533 H HIS 70 HN HIS 70 -26.161 12.736 9.523 534 HA HIS 70 HA HIS 70 -26.311 9.966 8.714 535 HB2 HIS 70 HB2 HIS 70 -25.197 9.163 10.788 536 HB3 HIS 70 HB1 HIS 70 -24.096 10.007 9.709 537 HD2 HIS 70 HD2 HIS 70 -26.133 11.001 12.984 538 HE1 HIS 70 HE1 HIS 70 -22.427 13.051 12.919 539 HE2 HIS 70 HE2 HIS 70 -24.672 12.870 14.019 540 H GLY 71 HN GLY 71 -27.417 8.679 10.410 541 HA2 GLY 71 HA2 GLY 71 -29.460 10.361 11.705 542 HA3 GLY 71 HA1 GLY 71 -29.741 8.720 11.114 543 H ARG 72 HN ARG 72 -30.297 7.735 12.987 544 HA ARG 72 HA ARG 72 -28.349 7.916 15.165 545 HB2 ARG 72 HB2 ARG 72 -31.163 6.809 15.229 546 HB3 ARG 72 HB1 ARG 72 -30.094 7.001 16.613 547 HG2 ARG 72 HG2 ARG 72 -30.102 9.458 16.170 548 HG3 ARG 72 HG1 ARG 72 -31.337 9.169 14.943 549 HD2 ARG 72 HD2 ARG 72 -32.525 9.769 16.869 550 HD3 ARG 72 HD1 ARG 72 -32.653 8.011 16.790 551 HE ARG 72 HE ARG 72 -30.492 9.146 18.393 552 HH11 ARG 72 HH11 ARG 72 -33.654 7.595 18.335 553 HH12 ARG 72 HH12 ARG 72 -33.614 7.176 20.011 554 HH21 ARG 72 HH21 ARG 72 -30.461 8.575 20.614 555 HH22 ARG 72 HH22 ARG 72 -31.795 7.722 21.302 556 H THR 73 HN THR 73 -27.492 6.042 16.029 557 HA THR 73 HA THR 73 -26.611 3.996 16.119 558 HB THR 73 HB THR 73 -27.747 1.987 15.363 559 HG1 THR 73 HG1 THR 73 -29.188 3.763 13.720 560 HG21 THR 73 HG21 THR 73 -29.755 3.996 16.387 561 HG22 THR 73 HG22 THR 73 -28.612 3.091 17.372 562 HG23 THR 73 HG23 THR 73 -29.892 2.242 16.508 563 H TRP 74 HN TRP 74 -26.858 5.642 13.205 564 HA TRP 74 HA TRP 74 -24.531 4.160 12.244 565 HB2 TRP 74 HB2 TRP 74 -25.280 4.410 9.879 566 HB3 TRP 74 HB1 TRP 74 -26.311 3.350 10.823 567 HD1 TRP 74 HD1 TRP 74 -28.797 4.305 11.419 568 HE1 TRP 74 HE1 TRP 74 -30.279 5.997 10.177 569 HE3 TRP 74 HE3 TRP 74 -25.229 6.533 8.477 570 HZ2 TRP 74 HZ2 TRP 74 -29.992 8.001 8.215 571 HZ3 TRP 74 HZ3 TRP 74 -25.938 8.326 6.940 572 HH2 TRP 74 HH2 TRP 74 -28.260 9.036 6.813 573 H THR 75 HN THR 75 -22.852 5.369 11.720 574 HA THR 75 HA THR 75 -23.234 8.225 11.193 575 HB THR 75 HB THR 75 -21.357 7.043 13.255 576 HG1 THR 75 HG1 THR 75 -23.744 7.751 13.549 577 HG21 THR 75 HG21 THR 75 -20.535 9.320 13.638 578 HG22 THR 75 HG22 THR 75 -21.508 9.904 12.283 579 HG23 THR 75 HG23 THR 75 -20.176 8.782 12.000 580 H LYS 76 HN LYS 76 -21.971 9.023 9.615 581 HA LYS 76 HA LYS 76 -20.082 7.232 8.295 582 HB2 LYS 76 HB2 LYS 76 -21.760 8.358 6.900 583 HB3 LYS 76 HB1 LYS 76 -21.201 9.922 7.474 584 HG2 LYS 76 HG2 LYS 76 -19.052 9.570 6.392 585 HG3 LYS 76 HG1 LYS 76 -19.573 7.973 5.849 586 HD2 LYS 76 HD2 LYS 76 -19.811 9.540 4.022 587 HD3 LYS 76 HD1 LYS 76 -21.413 9.067 4.584 588 HE2 LYS 76 HE2 LYS 76 -21.638 11.127 5.813 589 HE3 LYS 76 HE1 LYS 76 -19.978 11.574 5.418 590 HZ1 LYS 76 HZ1 LYS 76 -22.132 11.198 3.416 591 HZ2 LYS 76 HZ2 LYS 76 -20.572 11.761 3.121 592 HZ3 LYS 76 HZ3 LYS 76 -21.643 12.693 4.027 593 H LEU 77 HN LEU 77 -17.912 7.507 8.453 594 HA LEU 77 HA LEU 77 -16.977 9.903 9.902 595 HB2 LEU 77 HB2 LEU 77 -15.740 7.158 9.795 596 HB3 LEU 77 HB1 LEU 77 -15.134 8.519 10.717 597 HG LEU 77 HG LEU 77 -17.770 7.131 11.178 598 HD11 LEU 77 HD11 LEU 77 -16.749 6.306 13.224 599 HD12 LEU 77 HD12 LEU 77 -15.226 7.083 12.789 600 HD13 LEU 77 HD13 LEU 77 -15.854 5.756 11.806 601 HD21 LEU 77 HD21 LEU 77 -16.405 9.330 12.717 602 HD22 LEU 77 HD22 LEU 77 -17.876 8.489 13.209 603 HD23 LEU 77 HD23 LEU 77 -17.876 9.490 11.754 604 H THR 78 HN THR 78 -15.842 11.293 8.755 605 HA THR 78 HA THR 78 -14.265 10.328 6.464 606 HB THR 78 HB THR 78 -15.407 13.100 6.901 607 HG1 THR 78 HG1 THR 78 -16.414 10.778 5.781 608 HG21 THR 78 HG21 THR 78 -13.381 13.066 5.504 609 HG22 THR 78 HG22 THR 78 -14.809 13.430 4.531 610 HG23 THR 78 HG23 THR 78 -14.098 11.815 4.487 611 H TYR 79 HN TYR 79 -12.092 10.542 6.626 612 HA TYR 79 HA TYR 79 -10.902 12.342 8.730 613 HB2 TYR 79 HB2 TYR 79 -9.613 9.924 7.462 614 HB3 TYR 79 HB1 TYR 79 -9.154 10.768 8.938 615 HD1 TYR 79 HD2 TYR 79 -10.693 10.639 10.925 616 HD2 TYR 79 HD1 TYR 79 -11.135 8.119 7.527 617 HE1 TYR 79 HE2 TYR 79 -12.062 9.110 12.247 618 HE2 TYR 79 HE1 TYR 79 -12.516 6.577 8.848 619 HH TYR 79 HH TYR 79 -12.753 6.014 11.329 620 H ALA 80 HN ALA 80 -11.402 12.005 5.463 621 HA ALA 80 HA ALA 80 -10.637 13.109 3.640 622 HB1 ALA 80 HB1 ALA 80 -8.804 14.579 5.529 623 HB2 ALA 80 HB2 ALA 80 -10.440 15.080 5.092 624 HB3 ALA 80 HB3 ALA 80 -9.170 15.042 3.867 625 H ASN 81 HN ASN 81 -8.812 11.061 5.458 626 HA ASN 81 HA ASN 81 -6.798 10.783 3.334 627 HB2 ASN 81 HB2 ASN 81 -6.356 10.689 6.304 628 HB3 ASN 81 HB1 ASN 81 -5.251 9.920 5.175 629 HD21 ASN 81 HD21 ASN 81 -6.493 12.951 6.348 630 HD22 ASN 81 HD22 ASN 81 -5.281 13.939 5.615 631 H HIS 82 HN HIS 82 -6.258 8.743 2.731 632 HA HIS 82 HA HIS 82 -8.207 6.709 3.236 633 HB2 HIS 82 HB2 HIS 82 -6.988 5.406 1.616 634 HB3 HIS 82 HB1 HIS 82 -7.051 7.066 1.048 635 HD2 HIS 82 HD2 HIS 82 -4.479 4.335 1.570 636 HE1 HIS 82 HE1 HIS 82 -2.309 7.984 1.421 637 HE2 HIS 82 HE2 HIS 82 -2.199 5.494 1.127 638 H SER 83 HN SER 83 -5.248 7.588 4.651 639 HA SER 83 HA SER 83 -4.228 5.148 5.533 640 HB2 SER 83 HB2 SER 83 -4.082 7.804 6.974 641 HB3 SER 83 HB1 SER 83 -2.952 6.454 7.106 642 HG SER 83 HG SER 83 -2.113 6.921 5.203 643 H SER 84 HN SER 84 -6.550 7.349 7.065 644 HA SER 84 HA SER 84 -6.850 5.671 9.373 645 HB2 SER 84 HB2 SER 84 -7.099 8.161 9.437 646 HB3 SER 84 HB1 SER 84 -8.582 7.991 8.500 647 HG SER 84 HG SER 84 -9.181 6.480 10.328 648 H TYR 85 HN TYR 85 -8.326 5.975 6.268 649 HA TYR 85 HA TYR 85 -10.859 4.875 6.701 650 HB2 TYR 85 HB2 TYR 85 -10.464 5.890 4.606 651 HB3 TYR 85 HB1 TYR 85 -9.016 4.939 4.315 652 HD1 TYR 85 HD1 TYR 85 -12.712 4.883 4.270 653 HD2 TYR 85 HD2 TYR 85 -9.144 2.749 3.363 654 HE1 TYR 85 HE1 TYR 85 -14.013 3.261 2.948 655 HE2 TYR 85 HE2 TYR 85 -10.424 1.137 2.043 656 HH TYR 85 HH TYR 85 -12.697 0.307 1.891 657 H LEU 86 HN LEU 86 -7.800 3.274 5.844 658 HA LEU 86 HA LEU 86 -8.875 0.724 5.588 659 HB2 LEU 86 HB2 LEU 86 -6.742 1.473 4.636 660 HB3 LEU 86 HB1 LEU 86 -6.072 1.581 6.253 661 HG LEU 86 HG LEU 86 -6.434 -0.811 6.526 662 HD11 LEU 86 HD11 LEU 86 -7.177 -0.706 3.602 663 HD12 LEU 86 HD12 LEU 86 -8.248 -1.150 4.933 664 HD13 LEU 86 HD13 LEU 86 -6.883 -2.189 4.511 665 HD21 LEU 86 HD21 LEU 86 -4.781 -0.018 4.148 666 HD22 LEU 86 HD22 LEU 86 -4.609 -1.526 5.051 667 HD23 LEU 86 HD23 LEU 86 -4.264 0.019 5.836 668 H ARG 87 HN ARG 87 -7.364 2.390 8.313 669 HA ARG 87 HA ARG 87 -7.401 0.137 10.041 670 HB2 ARG 87 HB2 ARG 87 -7.153 3.083 10.659 671 HB3 ARG 87 HB1 ARG 87 -6.914 1.794 11.834 672 HG2 ARG 87 HG2 ARG 87 -5.058 0.918 10.508 673 HG3 ARG 87 HG1 ARG 87 -5.301 2.191 9.317 674 HD2 ARG 87 HD2 ARG 87 -3.479 2.827 10.723 675 HD3 ARG 87 HD1 ARG 87 -4.852 3.854 11.122 676 HE ARG 87 HE ARG 87 -4.895 1.659 12.839 677 HH11 ARG 87 HH11 ARG 87 -2.856 4.443 12.186 678 HH12 ARG 87 HH12 ARG 87 -2.257 4.539 13.805 679 HH21 ARG 87 HH21 ARG 87 -4.099 1.776 14.966 680 HH22 ARG 87 HH22 ARG 87 -2.963 3.004 15.403 681 H ALA 88 HN ALA 88 -9.632 2.774 9.431 682 HA ALA 88 HA ALA 88 -11.390 2.185 11.609 683 HB1 ALA 88 HB1 ALA 88 -12.892 3.811 10.580 684 HB2 ALA 88 HB2 ALA 88 -11.900 3.812 9.119 685 HB3 ALA 88 HB3 ALA 88 -11.240 4.431 10.634 686 H LEU 89 HN LEU 89 -10.842 0.706 8.645 687 HA LEU 89 HA LEU 89 -13.386 -0.098 7.796 688 HB2 LEU 89 HB2 LEU 89 -11.228 -0.356 6.541 689 HB3 LEU 89 HB1 LEU 89 -10.809 -1.666 7.621 690 HG LEU 89 HG LEU 89 -12.846 -2.884 6.789 691 HD11 LEU 89 HD11 LEU 89 -14.050 -0.914 5.957 692 HD12 LEU 89 HD12 LEU 89 -13.831 -2.132 4.698 693 HD13 LEU 89 HD13 LEU 89 -12.806 -0.694 4.723 694 HD21 LEU 89 HD21 LEU 89 -10.720 -2.125 4.793 695 HD22 LEU 89 HD22 LEU 89 -11.788 -3.523 4.659 696 HD23 LEU 89 HD23 LEU 89 -10.622 -3.424 5.981 697 H ARG 90 HN ARG 90 -11.124 -1.472 10.105 698 HA ARG 90 HA ARG 90 -11.272 -3.018 11.740 699 HB2 ARG 90 HB2 ARG 90 -14.198 -2.244 11.700 700 HB3 ARG 90 HB1 ARG 90 -13.413 -3.164 12.976 701 HG2 ARG 90 HG2 ARG 90 -12.726 -0.343 12.182 702 HG3 ARG 90 HG1 ARG 90 -13.698 -0.815 13.579 703 HD2 ARG 90 HD2 ARG 90 -10.809 -1.517 13.082 704 HD3 ARG 90 HD1 ARG 90 -11.408 -0.340 14.246 705 HE ARG 90 HE ARG 90 -12.640 -2.727 14.877 706 HH11 ARG 90 HH11 ARG 90 -9.340 -1.547 14.689 707 HH12 ARG 90 HH12 ARG 90 -8.742 -2.646 15.877 708 HH21 ARG 90 HH21 ARG 90 -11.840 -4.178 16.467 709 HH22 ARG 90 HH22 ARG 90 -10.165 -4.140 16.894 710 H GLU 91 HN GLU 91 -14.356 -4.203 11.635 711 HA GLU 91 HA GLU 91 -15.191 -6.268 11.225 712 HB2 GLU 91 HB2 GLU 91 -15.325 -5.252 8.955 713 HB3 GLU 91 HB1 GLU 91 -13.738 -5.898 8.578 714 HG2 GLU 91 HG2 GLU 91 -15.543 -7.229 7.602 715 HG3 GLU 91 HG1 GLU 91 -14.583 -8.165 8.746 716 H HIS 92 HN HIS 92 -12.899 -6.300 12.733 717 HA HIS 92 HA HIS 92 -11.628 -8.817 11.886 718 HB2 HIS 92 HB2 HIS 92 -10.407 -6.533 13.456 719 HB3 HIS 92 HB1 HIS 92 -9.667 -8.121 13.327 720 HD2 HIS 92 HD2 HIS 92 -9.234 -4.848 11.739 721 HE1 HIS 92 HE1 HIS 92 -8.338 -7.613 8.654 722 HE2 HIS 92 HE2 HIS 92 -7.936 -5.298 9.555 723 H GLY 93 HN GLY 93 -14.017 -8.889 13.195 724 HA2 GLY 93 HA2 GLY 93 -14.962 -10.030 14.960 725 HA3 GLY 93 HA1 GLY 93 -13.342 -10.348 15.566 726 H THR 94 HN THR 94 -14.845 -7.244 14.896 727 HA THR 94 HA THR 94 -13.990 -6.309 17.488 728 HB THR 94 HB THR 94 -15.427 -4.805 15.290 729 HG1 THR 94 HG1 THR 94 -12.862 -5.694 15.598 730 HG21 THR 94 HG21 THR 94 -13.810 -3.817 17.654 731 HG22 THR 94 HG22 THR 94 -15.566 -3.742 17.525 732 HG23 THR 94 HG23 THR 94 -14.562 -2.809 16.418 733 H ILE 95 HN ILE 95 -15.241 -7.133 19.051 734 HA ILE 95 HA ILE 95 -18.125 -6.627 18.919 735 HB ILE 95 HB ILE 95 -16.546 -8.587 20.596 736 HG12 ILE 95 HG12 ILE 95 -18.714 -9.069 18.549 737 HG13 ILE 95 HG11 ILE 95 -16.987 -9.209 18.224 738 HG21 ILE 95 HG21 ILE 95 -18.325 -7.649 21.951 739 HG22 ILE 95 HG22 ILE 95 -18.675 -9.328 21.542 740 HG23 ILE 95 HG23 ILE 95 -19.505 -8.022 20.695 741 HD11 ILE 95 HD11 ILE 95 -17.985 -11.391 18.600 742 HD12 ILE 95 HD12 ILE 95 -18.568 -10.873 20.180 743 HD13 ILE 95 HD13 ILE 95 -16.836 -11.011 19.883 744 H TYR 96 HN TYR 96 -18.922 -5.087 20.171 745 HA TYR 96 HA TYR 96 -17.395 -4.263 22.535 746 HB2 TYR 96 HB2 TYR 96 -17.077 -2.738 20.467 747 HB3 TYR 96 HB1 TYR 96 -18.752 -2.263 20.722 748 HD1 TYR 96 HD1 TYR 96 -15.397 -2.296 22.199 749 HD2 TYR 96 HD2 TYR 96 -19.319 -0.702 22.446 750 HE1 TYR 96 HE1 TYR 96 -14.611 -0.656 23.854 751 HE2 TYR 96 HE2 TYR 96 -18.548 0.949 24.104 752 HH TYR 96 HH TYR 96 -16.685 1.094 25.782 753 H CYS 97 HN CYS 97 -18.644 -4.021 24.306 754 HA CYS 97 HA CYS 97 -20.435 -4.041 25.685 755 HB2 CYS 97 HB2 CYS 97 -21.806 -2.758 23.310 756 HB3 CYS 97 HB1 CYS 97 -22.545 -2.924 24.896 757 HG CYS 97 HG CYS 97 -19.535 -1.453 24.922 758 H GLY 98 HN GLY 98 -19.908 -6.277 23.719 759 HA2 GLY 98 HA2 GLY 98 -20.813 -8.442 24.011 760 HA3 GLY 98 HA1 GLY 98 -22.363 -7.716 24.385 761 H ALA 99 HN ALA 99 -21.448 -6.057 21.733 762 HA ALA 99 HA ALA 99 -22.382 -8.119 19.852 763 HB1 ALA 99 HB1 ALA 99 -23.455 -5.304 19.941 764 HB2 ALA 99 HB2 ALA 99 -24.308 -6.734 20.523 765 HB3 ALA 99 HB3 ALA 99 -23.922 -6.575 18.810 766 H ALA 100 HN ALA 100 -21.798 -7.769 17.649 767 HA ALA 100 HA ALA 100 -19.332 -6.248 17.403 768 HB1 ALA 100 HB1 ALA 100 -19.390 -8.553 16.509 769 HB2 ALA 100 HB2 ALA 100 -19.040 -7.366 15.250 770 HB3 ALA 100 HB3 ALA 100 -20.655 -8.066 15.381 771 H ILE 101 HN ILE 101 -19.099 -4.457 16.268 772 HA ILE 101 HA ILE 101 -21.513 -3.194 15.243 773 HB ILE 101 HB ILE 101 -20.175 -1.139 15.111 774 HG12 ILE 101 HG12 ILE 101 -17.901 -2.791 16.240 775 HG13 ILE 101 HG11 ILE 101 -18.006 -2.223 14.578 776 HG21 ILE 101 HG21 ILE 101 -19.915 -2.547 17.776 777 HG22 ILE 101 HG22 ILE 101 -21.306 -1.616 17.217 778 HG23 ILE 101 HG23 ILE 101 -19.767 -0.808 17.522 779 HD11 ILE 101 HD11 ILE 101 -16.541 -0.802 15.834 780 HD12 ILE 101 HD12 ILE 101 -17.787 -0.518 17.046 781 HD13 ILE 101 HD13 ILE 101 -17.993 0.099 15.407 782 H GLY 102 HN GLY 102 -21.587 -2.267 13.133 783 HA2 GLY 102 HA2 GLY 102 -20.010 -3.865 11.243 784 HA3 GLY 102 HA1 GLY 102 -21.530 -3.056 10.884 785 H CYS 103 HN CYS 103 -18.488 -3.001 10.042 786 HA CYS 103 HA CYS 103 -18.462 -0.098 9.610 787 HB2 CYS 103 HB2 CYS 103 -16.011 -1.777 10.205 788 HB3 CYS 103 HB1 CYS 103 -16.073 -0.029 9.996 789 HG CYS 103 HG CYS 103 -18.137 -0.640 12.381 790 H VAL 104 HN VAL 104 -18.736 0.141 7.490 791 HA VAL 104 HA VAL 104 -17.098 -1.469 5.668 792 HB VAL 104 HB VAL 104 -19.036 -1.693 4.090 793 HG11 VAL 104 HG11 VAL 104 -18.363 -3.587 5.442 794 HG12 VAL 104 HG12 VAL 104 -20.115 -3.555 5.268 795 HG13 VAL 104 HG13 VAL 104 -19.371 -3.024 6.772 796 HG21 VAL 104 HG21 VAL 104 -20.678 -0.841 6.472 797 HG22 VAL 104 HG22 VAL 104 -21.308 -1.415 4.927 798 HG23 VAL 104 HG23 VAL 104 -20.424 0.107 5.008 799 HA PRO 105 HA PRO 105 -16.403 2.323 3.456 800 HB2 PRO 105 HB2 PRO 105 -16.689 1.483 0.843 801 HB3 PRO 105 HB1 PRO 105 -15.229 1.241 1.809 802 HG2 PRO 105 HG2 PRO 105 -17.479 -0.655 1.261 803 HG3 PRO 105 HG1 PRO 105 -15.731 -0.963 1.274 804 HD2 PRO 105 HD2 PRO 105 -17.264 -1.673 3.328 805 HD3 PRO 105 HD1 PRO 105 -15.633 -1.016 3.591 806 H TYR 106 HN TYR 106 -17.503 3.997 2.434 807 HA TYR 106 HA TYR 106 -20.251 4.164 2.833 808 HB2 TYR 106 HB2 TYR 106 -18.719 6.101 2.681 809 HB3 TYR 106 HB1 TYR 106 -18.561 5.827 0.954 810 HD1 TYR 106 HD1 TYR 106 -20.909 6.826 3.616 811 HD2 TYR 106 HD2 TYR 106 -20.213 6.643 -0.575 812 HE1 TYR 106 HE1 TYR 106 -22.835 8.307 3.233 813 HE2 TYR 106 HE2 TYR 106 -22.144 8.127 -0.966 814 HH TYR 106 HH TYR 106 -24.213 8.814 0.176 815 H LYS 107 HN LYS 107 -21.838 3.207 1.835 816 HA LYS 107 HA LYS 107 -21.649 2.700 -1.052 817 HB2 LYS 107 HB2 LYS 107 -23.187 1.227 1.094 818 HB3 LYS 107 HB1 LYS 107 -23.428 0.954 -0.620 819 HG2 LYS 107 HG2 LYS 107 -21.094 0.211 -0.813 820 HG3 LYS 107 HG1 LYS 107 -20.885 0.475 0.922 821 HD2 LYS 107 HD2 LYS 107 -22.583 -1.186 1.419 822 HD3 LYS 107 HD1 LYS 107 -22.910 -1.406 -0.304 823 HE2 LYS 107 HE2 LYS 107 -21.522 -3.210 0.508 824 HE3 LYS 107 HE1 LYS 107 -20.603 -2.202 -0.613 825 HZ1 LYS 107 HZ1 LYS 107 -19.282 -2.755 1.287 826 HZ2 LYS 107 HZ2 LYS 107 -20.448 -2.145 2.345 827 HZ3 LYS 107 HZ3 LYS 107 -19.607 -1.094 1.311 828 H HIS 108 HN HIS 108 -23.257 3.469 -2.338 829 HA HIS 108 HA HIS 108 -24.803 5.645 -1.399 830 HB2 HIS 108 HB2 HIS 108 -23.984 5.433 -3.731 831 HB3 HIS 108 HB1 HIS 108 -25.093 4.091 -3.986 832 HD2 HIS 108 HD2 HIS 108 -25.135 7.979 -3.810 833 HE1 HIS 108 HE1 HIS 108 -29.025 6.661 -4.869 834 HE2 HIS 108 HE2 HIS 108 -27.470 8.638 -4.709 835 H GLU 109 HN GLU 109 -25.659 2.330 -2.304 836 HA GLU 109 HA GLU 109 -28.436 2.642 -1.864 837 HB2 GLU 109 HB2 GLU 109 -27.574 0.885 -3.293 838 HB3 GLU 109 HB1 GLU 109 -26.751 0.146 -1.930 839 HG2 GLU 109 HG2 GLU 109 -28.883 -0.318 -0.870 840 HG3 GLU 109 HG1 GLU 109 -29.725 0.448 -2.214 841 H LEU 110 HN LEU 110 -25.809 1.588 0.238 842 HA LEU 110 HA LEU 110 -27.357 0.537 2.339 843 HB2 LEU 110 HB2 LEU 110 -24.947 0.176 2.185 844 HB3 LEU 110 HB1 LEU 110 -24.655 1.886 2.415 845 HG LEU 110 HG LEU 110 -25.616 1.702 4.697 846 HD11 LEU 110 HD11 LEU 110 -25.914 -0.498 5.690 847 HD12 LEU 110 HD12 LEU 110 -25.572 -1.258 4.136 848 HD13 LEU 110 HD13 LEU 110 -27.019 -0.267 4.333 849 HD21 LEU 110 HD21 LEU 110 -23.218 1.631 4.363 850 HD22 LEU 110 HD22 LEU 110 -23.289 -0.104 4.076 851 HD23 LEU 110 HD23 LEU 110 -23.685 0.541 5.666 852 H ILE 111 HN ILE 111 -26.102 3.784 1.756 853 HA ILE 111 HA ILE 111 -27.155 4.972 4.071 854 HB ILE 111 HB ILE 111 -26.580 6.294 1.414 855 HG12 ILE 111 HG12 ILE 111 -24.639 5.095 2.295 856 HG13 ILE 111 HG11 ILE 111 -24.394 6.835 2.379 857 HG21 ILE 111 HG21 ILE 111 -27.979 7.683 2.866 858 HG22 ILE 111 HG22 ILE 111 -26.360 8.363 2.723 859 HG23 ILE 111 HG23 ILE 111 -26.821 7.481 4.180 860 HD11 ILE 111 HD11 ILE 111 -24.949 6.775 4.774 861 HD12 ILE 111 HD12 ILE 111 -23.569 5.754 4.384 862 HD13 ILE 111 HD13 ILE 111 -25.145 5.026 4.669 863 H SER 112 HN SER 112 -28.496 4.430 0.871 864 HA SER 112 HA SER 112 -30.773 6.038 1.056 865 HB2 SER 112 HB2 SER 112 -29.841 4.757 -0.971 866 HB3 SER 112 HB1 SER 112 -30.695 3.360 -0.339 867 HG SER 112 HG SER 112 -32.551 4.205 -0.911 868 H GLU 113 HN GLU 113 -30.304 2.631 1.973 869 HA GLU 113 HA GLU 113 -32.955 2.267 2.926 870 HB2 GLU 113 HB2 GLU 113 -30.421 0.778 3.655 871 HB3 GLU 113 HB1 GLU 113 -32.036 0.287 4.149 872 HG2 GLU 113 HG2 GLU 113 -32.654 0.051 1.769 873 HG3 GLU 113 HG1 GLU 113 -30.990 0.447 1.333 874 H LEU 114 HN LEU 114 -29.952 3.196 4.514 875 HA LEU 114 HA LEU 114 -30.907 3.250 7.146 876 HB2 LEU 114 HB2 LEU 114 -28.663 4.729 5.822 877 HB3 LEU 114 HB1 LEU 114 -28.967 4.772 7.544 878 HG LEU 114 HG LEU 114 -28.325 2.290 5.958 879 HD11 LEU 114 HD11 LEU 114 -26.460 3.822 6.116 880 HD12 LEU 114 HD12 LEU 114 -26.197 2.370 7.085 881 HD13 LEU 114 HD13 LEU 114 -26.665 3.884 7.866 882 HD21 LEU 114 HD21 LEU 114 -28.035 1.285 8.209 883 HD22 LEU 114 HD22 LEU 114 -29.698 1.736 7.849 884 HD23 LEU 114 HD23 LEU 114 -28.723 2.750 8.912 885 H SER 115 HN SER 115 -30.815 5.730 4.636 886 HA SER 115 HA SER 115 -31.581 7.931 6.223 887 HB2 SER 115 HB2 SER 115 -30.532 8.156 3.998 888 HB3 SER 115 HB1 SER 115 -31.971 7.472 3.247 889 HG SER 115 HG SER 115 -31.489 10.017 4.121 890 H ARG 116 HN ARG 116 -33.419 5.332 4.867 891 HA ARG 116 HA ARG 116 -35.938 6.618 4.792 892 HB2 ARG 116 HB2 ARG 116 -35.287 3.689 5.108 893 HB3 ARG 116 HB1 ARG 116 -36.885 4.338 4.755 894 HG2 ARG 116 HG2 ARG 116 -34.450 4.607 3.004 895 HG3 ARG 116 HG1 ARG 116 -35.784 3.477 2.762 896 HD2 ARG 116 HD2 ARG 116 -37.331 5.312 2.445 897 HD3 ARG 116 HD1 ARG 116 -36.059 6.481 2.803 898 HE ARG 116 HE ARG 116 -35.914 4.669 0.491 899 HH11 ARG 116 HH11 ARG 116 -35.794 7.926 1.828 900 HH12 ARG 116 HH12 ARG 116 -35.231 8.632 0.358 901 HH21 ARG 116 HH21 ARG 116 -35.182 5.640 -1.454 902 HH22 ARG 116 HH22 ARG 116 -34.885 7.343 -1.505 903 H GLU 117 HN GLU 117 -34.141 4.974 7.301 904 HA GLU 117 HA GLU 117 -34.416 4.769 9.538 905 HB2 GLU 117 HB2 GLU 117 -36.298 7.092 9.146 906 HB3 GLU 117 HB1 GLU 117 -35.740 6.513 10.704 907 HG2 GLU 117 HG2 GLU 117 -33.430 7.039 10.037 908 HG3 GLU 117 HG1 GLU 117 -34.043 7.682 8.515 909 H GLY 118 HN GLY 118 -36.085 3.202 7.787 910 HA2 GLY 118 HA2 GLY 118 -38.575 2.943 9.300 911 HA3 GLY 118 HA1 GLY 118 -38.195 2.143 7.780 912 H HIS 119 HN HIS 119 -36.029 2.271 10.523 913 HA HIS 119 HA HIS 119 -35.129 0.732 11.900 914 HB2 HIS 119 HB2 HIS 119 -37.478 0.223 12.542 915 HB3 HIS 119 HB1 HIS 119 -37.554 -0.986 11.268 916 HD2 HIS 119 HD2 HIS 119 -35.845 -0.461 14.755 917 HE1 HIS 119 HE1 HIS 119 -35.561 -4.552 13.682 918 HE2 HIS 119 HE2 HIS 119 -35.335 -2.867 15.543 919 H HIS 120 HN HIS 120 -33.619 -0.922 11.751 920 HA HIS 120 HA HIS 120 -32.793 -1.608 9.143 921 HB2 HIS 120 HB2 HIS 120 -31.265 -1.483 11.132 922 HB3 HIS 120 HB1 HIS 120 -31.991 -2.968 11.729 923 HD2 HIS 120 HD2 HIS 120 -29.787 -1.831 8.664 924 HE1 HIS 120 HE1 HIS 120 -29.297 -5.998 9.284 925 HE2 HIS 120 HE2 HIS 120 -28.722 -4.024 7.823 926 H HIS 121 HN HIS 121 -33.577 -3.092 7.831 927 HA HIS 121 HA HIS 121 -35.712 -4.792 8.509 928 HB2 HIS 121 HB2 HIS 121 -33.816 -4.912 6.151 929 HB3 HIS 121 HB1 HIS 121 -35.334 -5.793 6.273 930 HD2 HIS 121 HD2 HIS 121 -37.597 -4.328 5.660 931 HE1 HIS 121 HE1 HIS 121 -35.600 -0.680 4.830 932 HE2 HIS 121 HE2 HIS 121 -37.726 -1.996 4.560 933 H HIS 122 HN HIS 122 -35.774 -6.832 9.250 934 HA HIS 122 HA HIS 122 -33.437 -8.001 10.308 935 HB2 HIS 122 HB2 HIS 122 -34.878 -9.952 10.855 936 HB3 HIS 122 HB1 HIS 122 -35.599 -8.432 11.352 937 HD2 HIS 122 HD2 HIS 122 -36.345 -11.427 9.005 938 HE1 HIS 122 HE1 HIS 122 -39.589 -8.714 8.724 939 HE2 HIS 122 HE2 HIS 122 -38.674 -10.937 7.990 940 H HIS 123 HN HIS 123 -31.865 -8.747 9.097 941 HA HIS 123 HA HIS 123 -32.369 -9.745 6.460 942 HB2 HIS 123 HB2 HIS 123 -30.308 -8.439 7.089 943 HB3 HIS 123 HB1 HIS 123 -29.771 -9.843 8.004 944 HD2 HIS 123 HD2 HIS 123 -30.210 -8.721 4.287 945 HE1 HIS 123 HE1 HIS 123 -28.018 -12.349 4.346 946 HE2 HIS 123 HE2 HIS 123 -28.944 -10.506 2.911 947 H HIS 124 HN HIS 124 -33.289 -11.655 6.281 948 HA HIS 124 HA HIS 124 -32.516 -13.812 8.091 949 HB2 HIS 124 HB2 HIS 124 -34.962 -13.295 7.668 950 HB3 HIS 124 HB1 HIS 124 -34.717 -13.814 6.007 951 HD2 HIS 124 HD2 HIS 124 -33.976 -16.663 5.834 952 HE1 HIS 124 HE1 HIS 124 -35.814 -17.553 9.548 953 HE2 HIS 124 HE2 HIS 124 -34.686 -18.496 7.512 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -26.436 3.572 -13.270 2 H2 MET 1 HT2 MET 1 -24.878 3.251 -13.823 3 H3 MET 1 HT3 MET 1 -25.220 4.724 -13.077 4 HA MET 1 HA MET 1 -25.694 3.605 -11.004 5 HB2 MET 1 HB2 MET 1 -25.243 1.235 -10.743 6 HB3 MET 1 HB1 MET 1 -26.420 1.460 -12.028 7 HG2 MET 1 HG2 MET 1 -24.686 1.146 -13.699 8 HG3 MET 1 HG1 MET 1 -23.473 0.986 -12.434 9 HE1 MET 1 HE1 MET 1 -23.740 -1.105 -14.743 10 HE2 MET 1 HE2 MET 1 -23.647 -2.628 -13.861 11 HE3 MET 1 HE3 MET 1 -22.596 -1.286 -13.411 12 H SER 2 HN SER 2 -23.234 4.076 -13.240 13 HA SER 2 HA SER 2 -21.010 3.158 -11.762 14 HB2 SER 2 HB2 SER 2 -21.079 3.678 -14.254 15 HB3 SER 2 HB1 SER 2 -20.946 5.379 -13.807 16 HG SER 2 HG SER 2 -19.075 4.128 -12.458 17 H LEU 3 HN LEU 3 -22.647 6.307 -11.912 18 HA LEU 3 HA LEU 3 -21.051 7.051 -9.577 19 HB2 LEU 3 HB2 LEU 3 -20.805 9.342 -10.312 20 HB3 LEU 3 HB1 LEU 3 -20.129 8.257 -11.493 21 HG LEU 3 HG LEU 3 -21.121 9.992 -12.716 22 HD11 LEU 3 HD11 LEU 3 -22.898 9.009 -14.012 23 HD12 LEU 3 HD12 LEU 3 -23.156 7.793 -12.765 24 HD13 LEU 3 HD13 LEU 3 -21.637 7.828 -13.660 25 HD21 LEU 3 HD21 LEU 3 -23.420 10.796 -12.426 26 HD22 LEU 3 HD22 LEU 3 -22.436 11.036 -10.983 27 HD23 LEU 3 HD23 LEU 3 -23.608 9.720 -11.043 28 H GLY 4 HN GLY 4 -22.015 8.087 -7.937 29 HA2 GLY 4 HA2 GLY 4 -24.944 8.350 -8.156 30 HA3 GLY 4 HA1 GLY 4 -24.071 8.028 -6.661 31 H SER 5 HN SER 5 -22.027 9.934 -7.021 32 HA SER 5 HA SER 5 -23.249 12.528 -7.366 33 HB2 SER 5 HB2 SER 5 -22.478 13.240 -5.065 34 HB3 SER 5 HB1 SER 5 -23.892 12.173 -5.076 35 HG SER 5 HG SER 5 -21.412 10.933 -4.962 36 H GLU 6 HN GLU 6 -21.711 14.015 -7.948 37 HA GLU 6 HA GLU 6 -19.022 12.969 -8.156 38 HB2 GLU 6 HB2 GLU 6 -20.089 13.989 -10.155 39 HB3 GLU 6 HB1 GLU 6 -20.144 15.528 -9.310 40 HG2 GLU 6 HG2 GLU 6 -17.728 15.585 -9.194 41 HG3 GLU 6 HG1 GLU 6 -17.634 14.003 -9.963 42 H SER 7 HN SER 7 -18.918 13.111 -5.779 43 HA SER 7 HA SER 7 -17.850 15.674 -5.005 44 HB2 SER 7 HB2 SER 7 -18.577 15.023 -2.699 45 HB3 SER 7 HB1 SER 7 -19.923 15.311 -3.798 46 HG SER 7 HG SER 7 -20.513 13.308 -3.546 47 H GLU 8 HN GLU 8 -16.701 14.877 -2.774 48 HA GLU 8 HA GLU 8 -14.659 12.994 -3.716 49 HB2 GLU 8 HB2 GLU 8 -13.105 14.096 -2.177 50 HB3 GLU 8 HB1 GLU 8 -13.820 15.230 -3.315 51 HG2 GLU 8 HG2 GLU 8 -15.371 15.970 -1.626 52 HG3 GLU 8 HG1 GLU 8 -14.687 14.836 -0.466 53 H THR 9 HN THR 9 -17.161 12.246 -2.385 54 HA THR 9 HA THR 9 -16.512 11.499 0.311 55 HB THR 9 HB THR 9 -18.832 10.399 -1.274 56 HG1 THR 9 HG1 THR 9 -19.139 12.566 -1.551 57 HG21 THR 9 HG21 THR 9 -19.907 10.335 0.909 58 HG22 THR 9 HG22 THR 9 -18.512 11.122 1.646 59 HG23 THR 9 HG23 THR 9 -18.359 9.494 0.989 60 H GLY 10 HN GLY 10 -14.493 10.451 -0.968 61 HA2 GLY 10 HA2 GLY 10 -15.121 7.585 -1.321 62 HA3 GLY 10 HA1 GLY 10 -13.738 8.397 -2.044 63 H ASN 11 HN ASN 11 -13.627 9.840 0.715 64 HA ASN 11 HA ASN 11 -11.958 7.780 1.984 65 HB2 ASN 11 HB2 ASN 11 -10.733 9.618 3.043 66 HB3 ASN 11 HB1 ASN 11 -10.753 9.813 1.296 67 HD21 ASN 11 HD21 ASN 11 -10.272 11.820 3.288 68 HD22 ASN 11 HD22 ASN 11 -11.494 13.026 3.096 69 H ALA 12 HN ALA 12 -14.929 8.397 2.234 70 HA ALA 12 HA ALA 12 -14.982 8.626 5.164 71 HB1 ALA 12 HB1 ALA 12 -17.225 9.574 4.971 72 HB2 ALA 12 HB2 ALA 12 -17.127 9.470 3.213 73 HB3 ALA 12 HB3 ALA 12 -16.049 10.553 4.094 74 H VAL 13 HN VAL 13 -16.273 7.193 6.280 75 HA VAL 13 HA VAL 13 -17.471 5.014 4.707 76 HB VAL 13 HB VAL 13 -16.709 3.383 6.385 77 HG11 VAL 13 HG11 VAL 13 -14.314 3.352 5.825 78 HG12 VAL 13 HG12 VAL 13 -14.459 4.989 5.185 79 HG13 VAL 13 HG13 VAL 13 -15.334 3.663 4.424 80 HG21 VAL 13 HG21 VAL 13 -16.545 4.847 8.315 81 HG22 VAL 13 HG22 VAL 13 -15.183 5.692 7.576 82 HG23 VAL 13 HG23 VAL 13 -15.018 4.001 8.050 83 H VAL 14 HN VAL 14 -19.055 3.760 5.967 84 HA VAL 14 HA VAL 14 -20.505 5.535 7.802 85 HB VAL 14 HB VAL 14 -21.531 3.136 6.260 86 HG11 VAL 14 HG11 VAL 14 -22.737 3.472 8.356 87 HG12 VAL 14 HG12 VAL 14 -23.756 3.879 6.975 88 HG13 VAL 14 HG13 VAL 14 -23.018 5.161 7.935 89 HG21 VAL 14 HG21 VAL 14 -21.965 6.086 5.787 90 HG22 VAL 14 HG22 VAL 14 -22.745 4.777 4.897 91 HG23 VAL 14 HG23 VAL 14 -21.001 5.003 4.783 92 H VAL 15 HN VAL 15 -20.398 5.070 9.871 93 HA VAL 15 HA VAL 15 -19.598 2.364 10.694 94 HB VAL 15 HB VAL 15 -19.672 4.867 12.400 95 HG11 VAL 15 HG11 VAL 15 -19.669 2.734 13.621 96 HG12 VAL 15 HG12 VAL 15 -18.187 3.647 13.878 97 HG13 VAL 15 HG13 VAL 15 -18.193 2.268 12.780 98 HG21 VAL 15 HG21 VAL 15 -17.328 3.721 10.883 99 HG22 VAL 15 HG22 VAL 15 -17.248 5.041 12.049 100 HG23 VAL 15 HG23 VAL 15 -18.146 5.246 10.544 101 H PHE 16 HN PHE 16 -21.051 1.074 11.669 102 HA PHE 16 HA PHE 16 -23.374 2.239 13.004 103 HB2 PHE 16 HB2 PHE 16 -24.943 0.758 11.771 104 HB3 PHE 16 HB1 PHE 16 -24.175 1.954 10.735 105 HD1 PHE 16 HD2 PHE 16 -22.584 1.288 9.033 106 HD2 PHE 16 HD1 PHE 16 -24.443 -1.605 11.541 107 HE1 PHE 16 HE2 PHE 16 -21.855 -0.497 7.507 108 HE2 PHE 16 HE1 PHE 16 -23.719 -3.396 10.017 109 HZ PHE 16 HZ PHE 16 -22.421 -2.842 7.997 110 H GLY 17 HN GLY 17 -24.681 0.566 14.165 111 HA2 GLY 17 HA2 GLY 17 -24.814 -1.671 15.092 112 HA3 GLY 17 HA1 GLY 17 -23.069 -1.792 14.927 113 H TYR 18 HN TYR 18 -24.447 1.127 16.146 114 HA TYR 18 HA TYR 18 -23.981 0.429 18.950 115 HB2 TYR 18 HB2 TYR 18 -22.512 2.396 19.244 116 HB3 TYR 18 HB1 TYR 18 -21.785 1.153 18.230 117 HD1 TYR 18 HD2 TYR 18 -21.807 1.473 15.743 118 HD2 TYR 18 HD1 TYR 18 -22.817 4.597 18.438 119 HE1 TYR 18 HE2 TYR 18 -21.467 3.109 13.964 120 HE2 TYR 18 HE1 TYR 18 -22.475 6.246 16.643 121 HH TYR 18 HH TYR 18 -22.031 5.272 13.361 122 H ARG 19 HN ARG 19 -24.601 2.270 20.371 123 HA ARG 19 HA ARG 19 -26.738 3.867 19.135 124 HB2 ARG 19 HB2 ARG 19 -27.980 3.737 21.233 125 HB3 ARG 19 HB1 ARG 19 -27.653 2.127 20.619 126 HG2 ARG 19 HG2 ARG 19 -25.825 1.885 22.238 127 HG3 ARG 19 HG1 ARG 19 -26.158 3.507 22.845 128 HD2 ARG 19 HD2 ARG 19 -28.427 2.800 23.467 129 HD3 ARG 19 HD1 ARG 19 -28.076 1.177 22.878 130 HE ARG 19 HE ARG 19 -26.129 1.759 24.761 131 HH11 ARG 19 HH11 ARG 19 -29.624 1.434 24.693 132 HH12 ARG 19 HH12 ARG 19 -29.740 0.913 26.337 133 HH21 ARG 19 HH21 ARG 19 -26.286 1.072 26.950 134 HH22 ARG 19 HH22 ARG 19 -27.835 0.714 27.626 135 H GLU 20 HN GLU 20 -27.174 5.937 20.243 136 HA GLU 20 HA GLU 20 -24.680 7.302 20.681 137 HB2 GLU 20 HB2 GLU 20 -26.576 8.205 19.321 138 HB3 GLU 20 HB1 GLU 20 -27.499 8.386 20.801 139 HG2 GLU 20 HG2 GLU 20 -25.931 10.042 21.616 140 HG3 GLU 20 HG1 GLU 20 -24.904 9.851 20.191 141 H ALA 21 HN ALA 21 -24.960 5.503 22.655 142 HA ALA 21 HA ALA 21 -25.248 7.212 25.029 143 HB1 ALA 21 HB1 ALA 21 -26.126 5.343 26.300 144 HB2 ALA 21 HB2 ALA 21 -26.002 4.294 24.889 145 HB3 ALA 21 HB3 ALA 21 -27.145 5.636 24.891 146 H ILE 22 HN ILE 22 -23.265 5.348 23.123 147 HA ILE 22 HA ILE 22 -21.515 4.585 25.355 148 HB ILE 22 HB ILE 22 -20.390 3.061 23.768 149 HG12 ILE 22 HG12 ILE 22 -22.634 3.578 21.799 150 HG13 ILE 22 HG11 ILE 22 -21.092 4.429 21.687 151 HG21 ILE 22 HG21 ILE 22 -23.364 2.674 23.982 152 HG22 ILE 22 HG22 ILE 22 -22.149 2.206 25.173 153 HG23 ILE 22 HG23 ILE 22 -22.193 1.411 23.599 154 HD11 ILE 22 HD11 ILE 22 -21.699 1.527 21.319 155 HD12 ILE 22 HD12 ILE 22 -20.070 2.081 21.691 156 HD13 ILE 22 HD13 ILE 22 -20.872 2.653 20.232 157 H THR 23 HN THR 23 -21.636 7.287 24.435 158 HA THR 23 HA THR 23 -19.853 8.067 22.489 159 HB THR 23 HB THR 23 -20.280 9.526 25.105 160 HG1 THR 23 HG1 THR 23 -21.861 10.513 23.272 161 HG21 THR 23 HG21 THR 23 -19.889 11.516 23.783 162 HG22 THR 23 HG22 THR 23 -19.674 10.546 22.326 163 HG23 THR 23 HG23 THR 23 -18.507 10.430 23.648 164 H LYS 24 HN LYS 24 -18.951 8.433 25.951 165 HA LYS 24 HA LYS 24 -16.269 8.698 25.690 166 HB2 LYS 24 HB2 LYS 24 -17.746 7.247 27.882 167 HB3 LYS 24 HB1 LYS 24 -16.153 7.974 28.013 168 HG2 LYS 24 HG2 LYS 24 -18.698 9.477 27.461 169 HG3 LYS 24 HG1 LYS 24 -17.905 9.348 29.032 170 HD2 LYS 24 HD2 LYS 24 -15.861 10.258 27.821 171 HD3 LYS 24 HD1 LYS 24 -16.959 10.753 26.546 172 HE2 LYS 24 HE2 LYS 24 -17.517 11.498 29.388 173 HE3 LYS 24 HE1 LYS 24 -16.435 12.464 28.388 174 HZ1 LYS 24 HZ1 LYS 24 -18.148 12.876 26.846 175 HZ2 LYS 24 HZ2 LYS 24 -18.799 13.187 28.385 176 HZ3 LYS 24 HZ3 LYS 24 -19.188 11.757 27.577 177 H GLN 25 HN GLN 25 -18.130 5.754 25.689 178 HA GLN 25 HA GLN 25 -16.048 3.924 26.181 179 HB2 GLN 25 HB2 GLN 25 -18.764 3.629 24.929 180 HB3 GLN 25 HB1 GLN 25 -17.700 2.270 25.274 181 HG2 GLN 25 HG2 GLN 25 -17.765 2.727 27.597 182 HG3 GLN 25 HG1 GLN 25 -18.660 4.223 27.340 183 HE21 GLN 25 HE21 GLN 25 -18.811 0.789 27.530 184 HE22 GLN 25 HE22 GLN 25 -20.537 0.653 27.481 185 H ILE 26 HN ILE 26 -17.867 4.225 23.106 186 HA ILE 26 HA ILE 26 -15.891 2.787 21.693 187 HB ILE 26 HB ILE 26 -18.355 2.829 21.180 188 HG12 ILE 26 HG12 ILE 26 -16.589 3.498 18.836 189 HG13 ILE 26 HG11 ILE 26 -16.565 1.965 19.709 190 HG21 ILE 26 HG21 ILE 26 -19.189 4.587 19.690 191 HG22 ILE 26 HG22 ILE 26 -17.669 5.459 19.876 192 HG23 ILE 26 HG23 ILE 26 -18.732 5.237 21.267 193 HD11 ILE 26 HD11 ILE 26 -18.929 3.116 18.253 194 HD12 ILE 26 HD12 ILE 26 -18.887 1.582 19.121 195 HD13 ILE 26 HD13 ILE 26 -17.896 1.806 17.676 196 H LEU 27 HN LEU 27 -16.530 6.188 22.146 197 HA LEU 27 HA LEU 27 -15.077 7.218 19.989 198 HB2 LEU 27 HB2 LEU 27 -16.636 8.519 21.373 199 HB3 LEU 27 HB1 LEU 27 -15.526 8.419 22.718 200 HG LEU 27 HG LEU 27 -13.911 9.803 21.509 201 HD11 LEU 27 HD11 LEU 27 -16.028 9.860 19.373 202 HD12 LEU 27 HD12 LEU 27 -14.430 9.127 19.238 203 HD13 LEU 27 HD13 LEU 27 -14.589 10.877 19.401 204 HD21 LEU 27 HD21 LEU 27 -16.691 10.974 21.554 205 HD22 LEU 27 HD22 LEU 27 -15.182 11.885 21.555 206 HD23 LEU 27 HD23 LEU 27 -15.599 10.864 22.930 207 H ALA 28 HN ALA 28 -14.052 6.160 23.175 208 HA ALA 28 HA ALA 28 -11.520 7.280 23.295 209 HB1 ALA 28 HB1 ALA 28 -10.963 5.556 24.895 210 HB2 ALA 28 HB2 ALA 28 -12.330 4.582 24.353 211 HB3 ALA 28 HB3 ALA 28 -12.611 6.125 25.159 212 H TYR 29 HN TYR 29 -12.594 4.651 21.314 213 HA TYR 29 HA TYR 29 -9.877 3.754 20.818 214 HB2 TYR 29 HB2 TYR 29 -11.654 2.088 21.108 215 HB3 TYR 29 HB1 TYR 29 -12.489 2.730 19.701 216 HD1 TYR 29 HD1 TYR 29 -9.385 1.035 20.794 217 HD2 TYR 29 HD2 TYR 29 -11.921 2.001 17.527 218 HE1 TYR 29 HE1 TYR 29 -8.121 -0.510 19.366 219 HE2 TYR 29 HE2 TYR 29 -10.663 0.458 16.087 220 HH TYR 29 HH TYR 29 -8.547 -0.630 15.954 221 H PHE 30 HN PHE 30 -12.536 5.243 18.955 222 HA PHE 30 HA PHE 30 -10.805 5.330 16.591 223 HB2 PHE 30 HB2 PHE 30 -13.726 6.022 16.884 224 HB3 PHE 30 HB1 PHE 30 -12.823 6.038 15.376 225 HD1 PHE 30 HD2 PHE 30 -12.094 3.941 14.343 226 HD2 PHE 30 HD1 PHE 30 -14.460 3.986 17.880 227 HE1 PHE 30 HE2 PHE 30 -12.664 1.572 13.990 228 HE2 PHE 30 HE1 PHE 30 -15.034 1.620 17.532 229 HZ PHE 30 HZ PHE 30 -14.140 0.411 15.589 230 H ALA 31 HN ALA 31 -11.531 7.427 19.118 231 HA ALA 31 HA ALA 31 -12.148 9.850 17.920 232 HB1 ALA 31 HB1 ALA 31 -10.509 9.471 20.404 233 HB2 ALA 31 HB2 ALA 31 -12.271 9.424 20.311 234 HB3 ALA 31 HB3 ALA 31 -11.409 10.918 19.941 235 H GLN 32 HN GLN 32 -8.999 8.392 18.319 236 HA GLN 32 HA GLN 32 -7.487 10.706 17.783 237 HB2 GLN 32 HB2 GLN 32 -6.802 7.785 17.440 238 HB3 GLN 32 HB1 GLN 32 -5.646 9.087 17.209 239 HG2 GLN 32 HG2 GLN 32 -5.295 8.222 19.387 240 HG3 GLN 32 HG1 GLN 32 -6.092 9.782 19.580 241 HE21 GLN 32 HE21 GLN 32 -6.901 9.298 21.599 242 HE22 GLN 32 HE22 GLN 32 -8.165 8.143 21.850 243 H PHE 33 HN PHE 33 -9.346 8.684 15.729 244 HA PHE 33 HA PHE 33 -8.080 9.930 13.383 245 HB2 PHE 33 HB2 PHE 33 -9.439 7.236 13.451 246 HB3 PHE 33 HB1 PHE 33 -8.575 7.957 12.096 247 HD1 PHE 33 HD2 PHE 33 -6.096 8.340 12.309 248 HD2 PHE 33 HD1 PHE 33 -8.310 5.985 15.075 249 HE1 PHE 33 HE2 PHE 33 -4.012 7.295 13.090 250 HE2 PHE 33 HE1 PHE 33 -6.227 4.939 15.859 251 HZ PHE 33 HZ PHE 33 -4.076 5.594 14.863 252 H GLY 34 HN GLY 34 -10.873 9.856 15.232 253 HA2 GLY 34 HA2 GLY 34 -12.336 11.549 13.595 254 HA3 GLY 34 HA1 GLY 34 -12.849 9.915 13.209 255 H GLU 35 HN GLU 35 -14.547 11.905 14.318 256 HA GLU 35 HA GLU 35 -14.825 11.095 17.118 257 HB2 GLU 35 HB2 GLU 35 -16.352 13.292 15.735 258 HB3 GLU 35 HB1 GLU 35 -16.160 13.034 17.464 259 HG2 GLU 35 HG2 GLU 35 -14.137 14.033 15.490 260 HG3 GLU 35 HG1 GLU 35 -14.777 14.844 16.917 261 H ILE 36 HN ILE 36 -16.694 10.210 17.926 262 HA ILE 36 HA ILE 36 -18.785 9.466 16.001 263 HB ILE 36 HB ILE 36 -17.644 7.560 18.091 264 HG12 ILE 36 HG12 ILE 36 -17.378 7.456 15.081 265 HG13 ILE 36 HG11 ILE 36 -16.105 8.020 16.157 266 HG21 ILE 36 HG21 ILE 36 -20.065 7.348 17.485 267 HG22 ILE 36 HG22 ILE 36 -19.090 5.922 17.142 268 HG23 ILE 36 HG23 ILE 36 -19.560 7.008 15.833 269 HD11 ILE 36 HD11 ILE 36 -17.306 5.267 16.135 270 HD12 ILE 36 HD12 ILE 36 -16.020 5.832 17.207 271 HD13 ILE 36 HD13 ILE 36 -15.737 5.727 15.469 272 H LEU 37 HN LEU 37 -20.807 9.766 16.758 273 HA LEU 37 HA LEU 37 -22.598 10.060 18.126 274 HB2 LEU 37 HB2 LEU 37 -20.738 9.337 20.370 275 HB3 LEU 37 HB1 LEU 37 -22.466 9.562 20.528 276 HG LEU 37 HG LEU 37 -21.058 7.402 18.987 277 HD11 LEU 37 HD11 LEU 37 -22.254 5.957 20.572 278 HD12 LEU 37 HD12 LEU 37 -22.745 7.413 21.443 279 HD13 LEU 37 HD13 LEU 37 -21.037 6.997 21.309 280 HD21 LEU 37 HD21 LEU 37 -23.385 6.530 18.666 281 HD22 LEU 37 HD22 LEU 37 -22.950 7.943 17.701 282 HD23 LEU 37 HD23 LEU 37 -23.964 8.133 19.130 283 H GLU 38 HN GLU 38 -23.189 11.312 20.304 284 HA GLU 38 HA GLU 38 -22.316 14.020 19.877 285 HB2 GLU 38 HB2 GLU 38 -24.228 12.816 21.882 286 HB3 GLU 38 HB1 GLU 38 -23.934 14.536 21.692 287 HG2 GLU 38 HG2 GLU 38 -25.042 12.729 19.568 288 HG3 GLU 38 HG1 GLU 38 -25.996 13.765 20.624 289 H ASP 39 HN ASP 39 -20.194 14.057 20.534 290 HA ASP 39 HA ASP 39 -19.558 13.301 23.268 291 HB2 ASP 39 HB2 ASP 39 -17.338 13.381 22.705 292 HB3 ASP 39 HB1 ASP 39 -18.021 13.089 21.116 293 H LEU 40 HN LEU 40 -18.134 14.958 24.515 294 HA LEU 40 HA LEU 40 -19.289 17.628 24.184 295 HB2 LEU 40 HB2 LEU 40 -19.485 17.685 26.709 296 HB3 LEU 40 HB1 LEU 40 -20.700 16.813 25.795 297 HG LEU 40 HG LEU 40 -18.561 15.047 26.536 298 HD11 LEU 40 HD11 LEU 40 -19.900 16.509 28.789 299 HD12 LEU 40 HD12 LEU 40 -18.183 16.550 28.368 300 HD13 LEU 40 HD13 LEU 40 -18.917 15.051 28.941 301 HD21 LEU 40 HD21 LEU 40 -21.496 15.146 27.224 302 HD22 LEU 40 HD22 LEU 40 -20.422 13.773 27.507 303 HD23 LEU 40 HD23 LEU 40 -20.752 14.306 25.859 304 H GLU 41 HN GLU 41 -16.642 16.447 23.681 305 HA GLU 41 HA GLU 41 -14.652 17.567 23.478 306 HB2 GLU 41 HB2 GLU 41 -15.763 19.694 24.084 307 HB3 GLU 41 HB1 GLU 41 -15.503 19.324 25.778 308 HG2 GLU 41 HG2 GLU 41 -13.075 19.373 25.390 309 HG3 GLU 41 HG1 GLU 41 -13.375 19.814 23.710 310 H SER 42 HN SER 42 -15.541 17.150 26.892 311 HA SER 42 HA SER 42 -12.871 16.093 27.400 312 HB2 SER 42 HB2 SER 42 -15.202 16.466 29.299 313 HB3 SER 42 HB1 SER 42 -13.548 16.048 29.754 314 HG SER 42 HG SER 42 -13.062 18.111 28.508 315 H GLU 43 HN GLU 43 -12.888 14.232 26.239 316 HA GLU 43 HA GLU 43 -14.906 12.206 26.992 317 HB2 GLU 43 HB2 GLU 43 -13.458 12.527 24.367 318 HB3 GLU 43 HB1 GLU 43 -14.663 11.304 24.750 319 HG2 GLU 43 HG2 GLU 43 -15.146 14.270 24.650 320 HG3 GLU 43 HG1 GLU 43 -15.571 13.110 23.394 321 H LEU 44 HN LEU 44 -11.557 12.918 26.288 322 HA LEU 44 HA LEU 44 -10.844 10.158 26.975 323 HB2 LEU 44 HB2 LEU 44 -9.330 12.131 25.283 324 HB3 LEU 44 HB1 LEU 44 -8.896 10.468 25.583 325 HG LEU 44 HG LEU 44 -11.271 11.443 24.016 326 HD11 LEU 44 HD11 LEU 44 -9.206 11.756 22.826 327 HD12 LEU 44 HD12 LEU 44 -10.108 10.417 22.119 328 HD13 LEU 44 HD13 LEU 44 -8.722 10.095 23.161 329 HD21 LEU 44 HD21 LEU 44 -11.702 9.141 23.495 330 HD22 LEU 44 HD22 LEU 44 -11.737 9.362 25.245 331 HD23 LEU 44 HD23 LEU 44 -10.332 8.619 24.475 332 H GLY 45 HN GLY 45 -8.147 10.547 27.325 333 HA2 GLY 45 HA2 GLY 45 -8.055 12.431 29.587 334 HA3 GLY 45 HA1 GLY 45 -7.325 10.834 29.653 335 H ASP 46 HN ASP 46 -5.282 10.623 29.069 336 HA ASP 46 HA ASP 46 -3.688 12.906 28.609 337 HB2 ASP 46 HB2 ASP 46 -2.848 10.909 29.768 338 HB3 ASP 46 HB1 ASP 46 -2.970 9.987 28.278 339 H THR 47 HN THR 47 -4.997 10.469 26.445 340 HA THR 47 HA THR 47 -3.518 11.591 24.194 341 HB THR 47 HB THR 47 -5.406 9.228 24.144 342 HG1 THR 47 HG1 THR 47 -2.568 9.194 24.510 343 HG21 THR 47 HG21 THR 47 -3.046 9.969 22.415 344 HG22 THR 47 HG22 THR 47 -4.732 10.270 22.006 345 HG23 THR 47 HG23 THR 47 -4.149 8.607 22.168 346 H GLU 48 HN GLU 48 -5.700 13.098 25.465 347 HA GLU 48 HA GLU 48 -7.859 13.036 23.528 348 HB2 GLU 48 HB2 GLU 48 -8.253 13.413 25.959 349 HB3 GLU 48 HB1 GLU 48 -7.342 14.897 25.804 350 HG2 GLU 48 HG2 GLU 48 -8.994 15.865 24.375 351 HG3 GLU 48 HG1 GLU 48 -9.859 14.333 24.260 352 H THR 49 HN THR 49 -4.841 14.441 23.737 353 HA THR 49 HA THR 49 -5.328 17.028 22.736 354 HB THR 49 HB THR 49 -2.836 16.839 22.084 355 HG1 THR 49 HG1 THR 49 -1.764 15.095 23.020 356 HG21 THR 49 HG21 THR 49 -3.659 18.018 24.065 357 HG22 THR 49 HG22 THR 49 -2.172 17.143 24.425 358 HG23 THR 49 HG23 THR 49 -3.725 16.495 24.951 359 H MET 50 HN MET 50 -5.205 13.958 21.175 360 HA MET 50 HA MET 50 -5.194 15.373 18.608 361 HB2 MET 50 HB2 MET 50 -3.144 14.038 18.884 362 HB3 MET 50 HB1 MET 50 -4.120 12.595 19.117 363 HG2 MET 50 HG2 MET 50 -4.983 12.786 16.848 364 HG3 MET 50 HG1 MET 50 -4.065 14.270 16.611 365 HE1 MET 50 HE1 MET 50 -3.949 10.388 16.974 366 HE2 MET 50 HE2 MET 50 -3.016 10.879 18.389 367 HE3 MET 50 HE3 MET 50 -2.218 10.058 17.048 368 H ARG 51 HN ARG 51 -7.403 15.566 18.480 369 HA ARG 51 HA ARG 51 -8.724 13.051 17.787 370 HB2 ARG 51 HB2 ARG 51 -9.954 15.382 19.274 371 HB3 ARG 51 HB1 ARG 51 -10.928 14.184 18.433 372 HG2 ARG 51 HG2 ARG 51 -9.501 12.507 19.888 373 HG3 ARG 51 HG1 ARG 51 -9.322 13.925 20.918 374 HD2 ARG 51 HD2 ARG 51 -12.011 12.999 19.939 375 HD3 ARG 51 HD1 ARG 51 -11.276 12.331 21.388 376 HE ARG 51 HE ARG 51 -11.241 14.812 22.098 377 HH11 ARG 51 HH11 ARG 51 -13.732 13.451 20.000 378 HH12 ARG 51 HH12 ARG 51 -15.021 14.314 20.784 379 HH21 ARG 51 HH21 ARG 51 -13.036 15.939 23.134 380 HH22 ARG 51 HH22 ARG 51 -14.641 15.689 22.499 381 H THR 52 HN THR 52 -9.872 13.003 15.968 382 HA THR 52 HA THR 52 -10.374 13.448 13.792 383 HB THR 52 HB THR 52 -10.421 16.371 14.072 384 HG1 THR 52 HG1 THR 52 -11.752 14.668 15.865 385 HG21 THR 52 HG21 THR 52 -12.590 16.082 12.945 386 HG22 THR 52 HG22 THR 52 -12.414 14.333 13.091 387 HG23 THR 52 HG23 THR 52 -11.283 15.254 12.100 388 HA PRO 53 HA PRO 53 -6.285 14.335 12.167 389 HB2 PRO 53 HB2 PRO 53 -7.689 13.728 9.635 390 HB3 PRO 53 HB1 PRO 53 -6.241 12.977 10.316 391 HG2 PRO 53 HG2 PRO 53 -8.590 11.714 10.320 392 HG3 PRO 53 HG1 PRO 53 -7.459 11.551 11.678 393 HD2 PRO 53 HD2 PRO 53 -9.953 13.189 11.435 394 HD3 PRO 53 HD1 PRO 53 -9.334 12.240 12.806 395 H GLY 54 HN GLY 54 -9.255 15.683 11.343 396 HA2 GLY 54 HA2 GLY 54 -8.254 17.736 9.573 397 HA3 GLY 54 HA1 GLY 54 -9.890 17.624 10.208 398 H TYR 55 HN TYR 55 -7.836 17.261 12.741 399 HA TYR 55 HA TYR 55 -6.993 18.496 14.398 400 HB2 TYR 55 HB2 TYR 55 -7.126 20.786 12.432 401 HB3 TYR 55 HB1 TYR 55 -6.433 20.910 14.043 402 HD1 TYR 55 HD1 TYR 55 -6.025 19.418 10.703 403 HD2 TYR 55 HD2 TYR 55 -4.271 19.968 14.540 404 HE1 TYR 55 HE1 TYR 55 -3.872 18.615 9.829 405 HE2 TYR 55 HE2 TYR 55 -2.114 19.168 13.675 406 HH TYR 55 HH TYR 55 -1.554 18.704 10.297 407 H PHE 56 HN PHE 56 -8.755 18.032 15.629 408 HA PHE 56 HA PHE 56 -10.367 18.469 17.101 409 HB2 PHE 56 HB2 PHE 56 -9.653 21.355 16.599 410 HB3 PHE 56 HB1 PHE 56 -10.673 20.769 17.911 411 HD1 PHE 56 HD2 PHE 56 -9.692 19.283 19.653 412 HD2 PHE 56 HD1 PHE 56 -7.294 21.271 16.752 413 HE1 PHE 56 HE2 PHE 56 -7.700 18.915 21.052 414 HE2 PHE 56 HE1 PHE 56 -5.299 20.906 18.145 415 HZ PHE 56 HZ PHE 56 -5.501 19.727 20.297 416 H PHE 57 HN PHE 57 -12.343 18.045 16.830 417 HA PHE 57 HA PHE 57 -13.925 18.684 14.621 418 HB2 PHE 57 HB2 PHE 57 -15.772 17.692 15.948 419 HB3 PHE 57 HB1 PHE 57 -14.330 16.708 16.058 420 HD1 PHE 57 HD2 PHE 57 -12.903 16.960 18.098 421 HD2 PHE 57 HD1 PHE 57 -16.849 18.476 17.803 422 HE1 PHE 57 HE2 PHE 57 -13.023 17.094 20.502 423 HE2 PHE 57 HE1 PHE 57 -16.978 18.603 20.243 424 HZ PHE 57 HZ PHE 57 -15.065 17.918 21.608 425 H GLN 58 HN GLN 58 -13.790 20.090 17.863 426 HA GLN 58 HA GLN 58 -14.586 21.948 18.828 427 HB2 GLN 58 HB2 GLN 58 -14.736 23.011 16.002 428 HB3 GLN 58 HB1 GLN 58 -14.887 23.978 17.464 429 HG2 GLN 58 HG2 GLN 58 -12.460 22.452 16.549 430 HG3 GLN 58 HG1 GLN 58 -12.665 24.204 16.591 431 HE21 GLN 58 HE21 GLN 58 -12.597 25.270 18.581 432 HE22 GLN 58 HE22 GLN 58 -11.941 24.514 19.988 433 H GLN 59 HN GLN 59 -16.416 21.390 19.789 434 HA GLN 59 HA GLN 59 -18.777 20.685 18.450 435 HB2 GLN 59 HB2 GLN 59 -19.865 20.717 20.658 436 HB3 GLN 59 HB1 GLN 59 -18.354 19.829 20.679 437 HG2 GLN 59 HG2 GLN 59 -17.236 21.681 21.748 438 HG3 GLN 59 HG1 GLN 59 -18.689 22.668 21.618 439 HE21 GLN 59 HE21 GLN 59 -20.408 22.278 22.988 440 HE22 GLN 59 HE22 GLN 59 -20.279 21.293 24.398 441 H ALA 60 HN ALA 60 -17.710 23.641 19.806 442 HA ALA 60 HA ALA 60 -18.543 25.767 19.851 443 HB1 ALA 60 HB1 ALA 60 -19.758 26.541 17.883 444 HB2 ALA 60 HB2 ALA 60 -20.026 24.873 17.379 445 HB3 ALA 60 HB3 ALA 60 -18.391 25.529 17.417 446 HA PRO 61 HA PRO 61 -22.091 24.752 22.450 447 HB2 PRO 61 HB2 PRO 61 -21.769 27.648 23.059 448 HB3 PRO 61 HB1 PRO 61 -21.921 26.277 24.164 449 HG2 PRO 61 HG2 PRO 61 -19.560 27.444 23.778 450 HG3 PRO 61 HG1 PRO 61 -19.688 25.684 23.948 451 HD2 PRO 61 HD2 PRO 61 -19.280 27.325 21.487 452 HD3 PRO 61 HD1 PRO 61 -18.594 25.745 21.923 453 H ASN 62 HN ASN 62 -24.214 24.954 22.146 454 HA ASN 62 HA ASN 62 -26.246 25.632 21.401 455 HB2 ASN 62 HB2 ASN 62 -25.810 27.960 21.823 456 HB3 ASN 62 HB1 ASN 62 -24.754 28.082 20.420 457 HD21 ASN 62 HD21 ASN 62 -28.036 27.970 21.540 458 HD22 ASN 62 HD22 ASN 62 -28.779 28.450 20.056 459 H ARG 63 HN ARG 63 -23.553 25.053 19.444 460 HA ARG 63 HA ARG 63 -25.230 24.802 17.054 461 HB2 ARG 63 HB2 ARG 63 -22.236 24.912 17.345 462 HB3 ARG 63 HB1 ARG 63 -23.061 24.614 15.824 463 HG2 ARG 63 HG2 ARG 63 -24.153 26.800 16.013 464 HG3 ARG 63 HG1 ARG 63 -23.253 27.097 17.504 465 HD2 ARG 63 HD2 ARG 63 -21.151 26.819 16.251 466 HD3 ARG 63 HD1 ARG 63 -22.094 26.601 14.773 467 HE ARG 63 HE ARG 63 -22.874 28.896 15.042 468 HH11 ARG 63 HH11 ARG 63 -20.013 27.964 16.862 469 HH12 ARG 63 HH12 ARG 63 -19.474 29.583 17.097 470 HH21 ARG 63 HH21 ARG 63 -22.139 31.060 15.361 471 HH22 ARG 63 HH22 ARG 63 -20.680 31.349 16.242 472 H ARG 64 HN ARG 64 -23.463 23.073 15.710 473 HA ARG 64 HA ARG 64 -24.460 20.516 16.524 474 HB2 ARG 64 HB2 ARG 64 -22.482 21.314 14.401 475 HB3 ARG 64 HB1 ARG 64 -23.339 19.783 14.505 476 HG2 ARG 64 HG2 ARG 64 -25.371 20.743 13.900 477 HG3 ARG 64 HG1 ARG 64 -24.809 22.378 14.268 478 HD2 ARG 64 HD2 ARG 64 -23.662 20.642 12.107 479 HD3 ARG 64 HD1 ARG 64 -24.923 21.850 11.831 480 HE ARG 64 HE ARG 64 -23.274 23.523 12.716 481 HH11 ARG 64 HH11 ARG 64 -22.129 20.520 11.260 482 HH12 ARG 64 HH12 ARG 64 -20.576 21.166 10.852 483 HH21 ARG 64 HH21 ARG 64 -21.232 24.372 12.123 484 HH22 ARG 64 HH22 ARG 64 -20.078 23.363 11.325 485 H ARG 65 HN ARG 65 -23.388 19.322 18.082 486 HA ARG 65 HA ARG 65 -20.798 19.996 18.965 487 HB2 ARG 65 HB2 ARG 65 -22.516 17.572 19.477 488 HB3 ARG 65 HB1 ARG 65 -20.931 17.782 20.205 489 HG2 ARG 65 HG2 ARG 65 -21.686 19.864 21.247 490 HG3 ARG 65 HG1 ARG 65 -23.278 19.635 20.529 491 HD2 ARG 65 HD2 ARG 65 -21.969 17.688 22.421 492 HD3 ARG 65 HD1 ARG 65 -23.098 18.943 22.921 493 HE ARG 65 HE ARG 65 -24.089 17.138 20.871 494 HH11 ARG 65 HH11 ARG 65 -23.837 17.807 24.307 495 HH12 ARG 65 HH12 ARG 65 -25.185 16.809 24.726 496 HH21 ARG 65 HH21 ARG 65 -25.872 15.829 21.440 497 HH22 ARG 65 HH22 ARG 65 -26.348 15.686 23.102 498 H ILE 66 HN ILE 66 -21.990 17.484 16.822 499 HA ILE 66 HA ILE 66 -19.206 17.028 16.046 500 HB ILE 66 HB ILE 66 -20.046 14.945 16.791 501 HG12 ILE 66 HG12 ILE 66 -20.264 14.926 13.772 502 HG13 ILE 66 HG11 ILE 66 -18.760 14.853 14.670 503 HG21 ILE 66 HG21 ILE 66 -22.413 15.378 16.829 504 HG22 ILE 66 HG22 ILE 66 -22.117 13.897 15.918 505 HG23 ILE 66 HG23 ILE 66 -22.476 15.400 15.067 506 HD11 ILE 66 HD11 ILE 66 -19.370 12.677 13.866 507 HD12 ILE 66 HD12 ILE 66 -20.934 12.781 14.678 508 HD13 ILE 66 HD13 ILE 66 -19.448 12.710 15.630 509 H SER 67 HN SER 67 -18.664 17.977 14.287 510 HA SER 67 HA SER 67 -20.638 18.962 12.415 511 HB2 SER 67 HB2 SER 67 -18.628 20.310 13.116 512 HB3 SER 67 HB1 SER 67 -17.643 19.127 12.251 513 HG SER 67 HG SER 67 -18.135 20.050 10.438 514 H ARG 68 HN ARG 68 -20.977 16.466 12.304 515 HA ARG 68 HA ARG 68 -19.847 15.611 9.758 516 HB2 ARG 68 HB2 ARG 68 -18.601 14.627 11.797 517 HB3 ARG 68 HB1 ARG 68 -20.060 13.684 12.052 518 HG2 ARG 68 HG2 ARG 68 -18.525 12.335 10.863 519 HG3 ARG 68 HG1 ARG 68 -19.802 12.807 9.736 520 HD2 ARG 68 HD2 ARG 68 -17.608 12.995 8.693 521 HD3 ARG 68 HD1 ARG 68 -18.369 14.578 8.848 522 HE ARG 68 HE ARG 68 -16.618 13.893 11.029 523 HH11 ARG 68 HH11 ARG 68 -16.819 15.361 7.849 524 HH12 ARG 68 HH12 ARG 68 -15.378 16.297 8.046 525 HH21 ARG 68 HH21 ARG 68 -14.694 15.172 11.294 526 HH22 ARG 68 HH22 ARG 68 -14.185 16.201 10.002 527 H GLU 69 HN GLU 69 -21.226 14.152 8.634 528 HA GLU 69 HA GLU 69 -23.993 14.506 9.234 529 HB2 GLU 69 HB2 GLU 69 -23.179 14.490 6.932 530 HB3 GLU 69 HB1 GLU 69 -22.623 12.836 7.128 531 HG2 GLU 69 HG2 GLU 69 -24.873 12.043 7.329 532 HG3 GLU 69 HG1 GLU 69 -25.490 13.693 7.347 533 H HIS 70 HN HIS 70 -25.246 13.255 10.447 534 HA HIS 70 HA HIS 70 -24.525 10.450 10.834 535 HB2 HIS 70 HB2 HIS 70 -24.664 10.569 13.224 536 HB3 HIS 70 HB1 HIS 70 -23.550 11.827 12.706 537 HD2 HIS 70 HD2 HIS 70 -26.764 11.428 14.744 538 HE1 HIS 70 HE1 HIS 70 -26.168 15.588 14.211 539 HE2 HIS 70 HE2 HIS 70 -27.344 13.811 15.547 540 H GLY 71 HN GLY 71 -26.243 9.137 11.611 541 HA2 GLY 71 HA2 GLY 71 -28.899 10.309 11.103 542 HA3 GLY 71 HA1 GLY 71 -28.482 8.620 10.832 543 H ARG 72 HN ARG 72 -29.128 7.255 12.340 544 HA ARG 72 HA ARG 72 -29.679 8.290 15.039 545 HB2 ARG 72 HB2 ARG 72 -30.751 5.847 13.639 546 HB3 ARG 72 HB1 ARG 72 -31.084 6.263 15.315 547 HG2 ARG 72 HG2 ARG 72 -32.198 8.304 14.601 548 HG3 ARG 72 HG1 ARG 72 -31.836 7.921 12.915 549 HD2 ARG 72 HD2 ARG 72 -33.465 6.181 14.760 550 HD3 ARG 72 HD1 ARG 72 -34.146 7.322 13.600 551 HE ARG 72 HE ARG 72 -32.519 5.767 12.090 552 HH11 ARG 72 HH11 ARG 72 -35.157 5.073 14.304 553 HH12 ARG 72 HH12 ARG 72 -35.648 3.636 13.468 554 HH21 ARG 72 HH21 ARG 72 -33.186 3.843 10.987 555 HH22 ARG 72 HH22 ARG 72 -34.536 2.945 11.603 556 H THR 73 HN THR 73 -28.874 5.104 13.789 557 HA THR 73 HA THR 73 -27.058 4.808 16.052 558 HB THR 73 HB THR 73 -27.250 2.376 15.440 559 HG1 THR 73 HG1 THR 73 -28.330 1.938 13.665 560 HG21 THR 73 HG21 THR 73 -29.453 2.118 16.522 561 HG22 THR 73 HG22 THR 73 -29.761 3.834 16.260 562 HG23 THR 73 HG23 THR 73 -28.457 3.328 17.332 563 H TRP 74 HN TRP 74 -26.722 5.956 13.169 564 HA TRP 74 HA TRP 74 -24.142 4.693 12.677 565 HB2 TRP 74 HB2 TRP 74 -24.645 4.591 10.232 566 HB3 TRP 74 HB1 TRP 74 -25.627 3.487 11.192 567 HD1 TRP 74 HD1 TRP 74 -28.255 4.012 11.367 568 HE1 TRP 74 HE1 TRP 74 -29.822 5.478 9.939 569 HE3 TRP 74 HE3 TRP 74 -24.743 6.767 8.856 570 HZ2 TRP 74 HZ2 TRP 74 -29.599 7.518 8.012 571 HZ3 TRP 74 HZ3 TRP 74 -25.511 8.454 7.239 572 HH2 TRP 74 HH2 TRP 74 -27.888 8.820 6.826 573 H THR 75 HN THR 75 -22.682 6.039 11.536 574 HA THR 75 HA THR 75 -23.621 8.671 10.754 575 HB THR 75 HB THR 75 -22.796 8.909 13.141 576 HG1 THR 75 HG1 THR 75 -22.176 10.418 10.999 577 HG21 THR 75 HG21 THR 75 -20.127 8.213 11.894 578 HG22 THR 75 HG22 THR 75 -20.957 7.322 13.174 579 HG23 THR 75 HG23 THR 75 -20.331 8.947 13.483 580 H LYS 76 HN LYS 76 -22.409 9.622 9.130 581 HA LYS 76 HA LYS 76 -20.569 7.870 7.740 582 HB2 LYS 76 HB2 LYS 76 -22.262 9.230 6.510 583 HB3 LYS 76 HB1 LYS 76 -21.508 10.691 7.123 584 HG2 LYS 76 HG2 LYS 76 -19.461 10.155 5.893 585 HG3 LYS 76 HG1 LYS 76 -20.218 8.680 5.281 586 HD2 LYS 76 HD2 LYS 76 -20.422 10.336 3.572 587 HD3 LYS 76 HD1 LYS 76 -22.019 10.132 4.294 588 HE2 LYS 76 HE2 LYS 76 -21.507 12.117 5.745 589 HE3 LYS 76 HE1 LYS 76 -20.048 12.358 4.793 590 HZ1 LYS 76 HZ1 LYS 76 -21.531 12.516 2.805 591 HZ2 LYS 76 HZ2 LYS 76 -21.732 13.761 3.928 592 HZ3 LYS 76 HZ3 LYS 76 -22.857 12.504 3.863 593 H LEU 77 HN LEU 77 -18.610 7.813 8.676 594 HA LEU 77 HA LEU 77 -17.689 10.207 10.053 595 HB2 LEU 77 HB2 LEU 77 -17.772 7.824 11.075 596 HB3 LEU 77 HB1 LEU 77 -16.337 7.525 10.119 597 HG LEU 77 HG LEU 77 -16.583 9.650 12.260 598 HD11 LEU 77 HD11 LEU 77 -15.161 7.001 12.329 599 HD12 LEU 77 HD12 LEU 77 -16.668 7.383 13.158 600 HD13 LEU 77 HD13 LEU 77 -15.180 8.217 13.609 601 HD21 LEU 77 HD21 LEU 77 -14.088 8.654 10.899 602 HD22 LEU 77 HD22 LEU 77 -14.253 10.009 12.021 603 HD23 LEU 77 HD23 LEU 77 -14.951 10.109 10.409 604 H THR 78 HN THR 78 -16.335 11.484 9.116 605 HA THR 78 HA THR 78 -14.821 10.596 6.810 606 HB THR 78 HB THR 78 -15.165 13.366 7.981 607 HG1 THR 78 HG1 THR 78 -16.408 13.137 5.664 608 HG21 THR 78 HG21 THR 78 -13.144 13.128 6.589 609 HG22 THR 78 HG22 THR 78 -14.350 14.134 5.787 610 HG23 THR 78 HG23 THR 78 -14.122 12.460 5.280 611 H TYR 79 HN TYR 79 -13.137 9.453 7.671 612 HA TYR 79 HA TYR 79 -11.547 10.353 9.876 613 HB2 TYR 79 HB2 TYR 79 -11.036 8.267 7.734 614 HB3 TYR 79 HB1 TYR 79 -9.944 8.572 9.075 615 HD1 TYR 79 HD1 TYR 79 -13.272 7.273 8.149 616 HD2 TYR 79 HD2 TYR 79 -10.413 7.730 11.258 617 HE1 TYR 79 HE1 TYR 79 -14.510 5.652 9.528 618 HE2 TYR 79 HE2 TYR 79 -11.642 6.115 12.642 619 HH TYR 79 HH TYR 79 -14.119 4.136 11.394 620 H ALA 80 HN ALA 80 -11.577 10.883 6.470 621 HA ALA 80 HA ALA 80 -10.468 12.317 5.123 622 HB1 ALA 80 HB1 ALA 80 -10.521 13.940 6.976 623 HB2 ALA 80 HB2 ALA 80 -9.047 14.082 6.021 624 HB3 ALA 80 HB3 ALA 80 -9.007 13.277 7.589 625 H ASN 81 HN ASN 81 -8.214 10.987 7.531 626 HA ASN 81 HA ASN 81 -6.134 10.690 5.601 627 HB2 ASN 81 HB2 ASN 81 -4.999 9.303 7.406 628 HB3 ASN 81 HB1 ASN 81 -5.357 10.968 7.812 629 HD21 ASN 81 HD21 ASN 81 -7.860 8.507 7.819 630 HD22 ASN 81 HD22 ASN 81 -8.048 8.456 9.539 631 H HIS 82 HN HIS 82 -5.456 8.961 4.493 632 HA HIS 82 HA HIS 82 -7.410 6.892 4.035 633 HB2 HIS 82 HB2 HIS 82 -6.106 7.998 2.200 634 HB3 HIS 82 HB1 HIS 82 -4.660 7.216 2.820 635 HD2 HIS 82 HD2 HIS 82 -4.217 4.721 1.824 636 HE1 HIS 82 HE1 HIS 82 -8.006 4.162 0.002 637 HE2 HIS 82 HE2 HIS 82 -5.673 3.253 0.267 638 H SER 83 HN SER 83 -4.544 7.294 5.875 639 HA SER 83 HA SER 83 -3.609 4.663 6.035 640 HB2 SER 83 HB2 SER 83 -2.570 5.448 8.189 641 HB3 SER 83 HB1 SER 83 -2.241 6.474 6.789 642 HG SER 83 HG SER 83 -2.859 7.913 8.252 643 H SER 84 HN SER 84 -5.933 6.388 8.104 644 HA SER 84 HA SER 84 -6.426 3.976 9.627 645 HB2 SER 84 HB2 SER 84 -6.390 6.149 10.779 646 HB3 SER 84 HB1 SER 84 -7.759 6.686 9.808 647 HG SER 84 HG SER 84 -8.752 4.627 10.738 648 H TYR 85 HN TYR 85 -7.550 5.340 6.789 649 HA TYR 85 HA TYR 85 -10.288 4.730 6.808 650 HB2 TYR 85 HB2 TYR 85 -9.240 6.126 5.090 651 HB3 TYR 85 HB1 TYR 85 -8.310 4.754 4.512 652 HD1 TYR 85 HD1 TYR 85 -11.699 6.205 4.728 653 HD2 TYR 85 HD2 TYR 85 -9.261 3.205 2.956 654 HE1 TYR 85 HE1 TYR 85 -13.473 5.733 3.094 655 HE2 TYR 85 HE2 TYR 85 -11.028 2.721 1.322 656 HH TYR 85 HH TYR 85 -13.630 4.772 0.795 657 H LEU 86 HN LEU 86 -7.494 2.807 5.765 658 HA LEU 86 HA LEU 86 -8.933 0.491 5.032 659 HB2 LEU 86 HB2 LEU 86 -6.068 1.006 5.728 660 HB3 LEU 86 HB1 LEU 86 -6.637 -0.633 5.486 661 HG LEU 86 HG LEU 86 -5.592 0.188 3.485 662 HD11 LEU 86 HD11 LEU 86 -7.498 -1.329 3.240 663 HD12 LEU 86 HD12 LEU 86 -7.353 -0.225 1.874 664 HD13 LEU 86 HD13 LEU 86 -8.577 0.061 3.109 665 HD21 LEU 86 HD21 LEU 86 -5.846 2.549 3.733 666 HD22 LEU 86 HD22 LEU 86 -7.598 2.414 3.633 667 HD23 LEU 86 HD23 LEU 86 -6.610 2.069 2.214 668 H ARG 87 HN ARG 87 -7.460 1.485 8.054 669 HA ARG 87 HA ARG 87 -7.732 -0.976 9.411 670 HB2 ARG 87 HB2 ARG 87 -6.229 0.837 10.141 671 HB3 ARG 87 HB1 ARG 87 -7.622 1.807 10.580 672 HG2 ARG 87 HG2 ARG 87 -8.250 0.181 12.278 673 HG3 ARG 87 HG1 ARG 87 -6.888 -0.841 11.818 674 HD2 ARG 87 HD2 ARG 87 -5.340 0.942 12.454 675 HD3 ARG 87 HD1 ARG 87 -6.702 1.965 12.911 676 HE ARG 87 HE ARG 87 -6.761 -0.526 14.279 677 HH11 ARG 87 HH11 ARG 87 -5.135 2.576 14.264 678 HH12 ARG 87 HH12 ARG 87 -4.776 2.556 15.955 679 HH21 ARG 87 HH21 ARG 87 -6.301 -0.562 16.546 680 HH22 ARG 87 HH22 ARG 87 -5.452 0.765 17.260 681 H ALA 88 HN ALA 88 -9.995 1.500 8.690 682 HA ALA 88 HA ALA 88 -11.885 1.056 10.741 683 HB1 ALA 88 HB1 ALA 88 -12.380 2.041 7.932 684 HB2 ALA 88 HB2 ALA 88 -11.903 3.043 9.304 685 HB3 ALA 88 HB3 ALA 88 -13.467 2.224 9.309 686 H LEU 89 HN LEU 89 -11.063 -0.811 7.980 687 HA LEU 89 HA LEU 89 -13.587 -2.117 7.651 688 HB2 LEU 89 HB2 LEU 89 -10.832 -2.613 6.567 689 HB3 LEU 89 HB1 LEU 89 -12.114 -3.772 6.310 690 HG LEU 89 HG LEU 89 -11.939 -2.435 4.348 691 HD11 LEU 89 HD11 LEU 89 -14.312 -1.444 5.905 692 HD12 LEU 89 HD12 LEU 89 -14.210 -2.987 5.061 693 HD13 LEU 89 HD13 LEU 89 -14.141 -1.478 4.151 694 HD21 LEU 89 HD21 LEU 89 -10.755 -0.527 5.277 695 HD22 LEU 89 HD22 LEU 89 -12.218 -0.007 6.112 696 HD23 LEU 89 HD23 LEU 89 -12.159 -0.002 4.350 697 H ARG 90 HN ARG 90 -11.286 -2.354 10.022 698 HA ARG 90 HA ARG 90 -10.821 -4.994 10.578 699 HB2 ARG 90 HB2 ARG 90 -10.663 -4.345 12.945 700 HB3 ARG 90 HB1 ARG 90 -9.906 -3.145 11.903 701 HG2 ARG 90 HG2 ARG 90 -11.892 -1.734 12.091 702 HG3 ARG 90 HG1 ARG 90 -12.644 -2.939 13.133 703 HD2 ARG 90 HD2 ARG 90 -10.128 -1.377 13.719 704 HD3 ARG 90 HD1 ARG 90 -11.711 -1.118 14.447 705 HE ARG 90 HE ARG 90 -9.761 -2.941 15.314 706 HH11 ARG 90 HH11 ARG 90 -13.230 -2.853 14.746 707 HH12 ARG 90 HH12 ARG 90 -13.583 -4.026 15.965 708 HH21 ARG 90 HH21 ARG 90 -10.265 -4.443 16.996 709 HH22 ARG 90 HH22 ARG 90 -11.909 -4.905 17.264 710 H GLU 91 HN GLU 91 -12.037 -6.719 10.998 711 HA GLU 91 HA GLU 91 -14.839 -6.358 11.907 712 HB2 GLU 91 HB2 GLU 91 -14.635 -6.822 9.455 713 HB3 GLU 91 HB1 GLU 91 -13.812 -8.320 9.837 714 HG2 GLU 91 HG2 GLU 91 -16.038 -8.883 9.315 715 HG3 GLU 91 HG1 GLU 91 -15.890 -9.023 11.063 716 H HIS 92 HN HIS 92 -11.851 -7.681 12.565 717 HA HIS 92 HA HIS 92 -12.452 -10.306 13.300 718 HB2 HIS 92 HB2 HIS 92 -10.303 -10.306 14.479 719 HB3 HIS 92 HB1 HIS 92 -10.167 -9.600 12.879 720 HD2 HIS 92 HD2 HIS 92 -9.248 -8.795 16.474 721 HE1 HIS 92 HE1 HIS 92 -8.886 -5.161 14.327 722 HE2 HIS 92 HE2 HIS 92 -8.211 -6.440 16.392 723 H GLY 93 HN GLY 93 -14.124 -10.679 14.567 724 HA2 GLY 93 HA2 GLY 93 -15.496 -10.720 16.425 725 HA3 GLY 93 HA1 GLY 93 -13.968 -11.007 17.229 726 H THR 94 HN THR 94 -15.903 -8.244 16.003 727 HA THR 94 HA THR 94 -15.092 -6.856 18.463 728 HB THR 94 HB THR 94 -15.894 -5.519 15.882 729 HG1 THR 94 HG1 THR 94 -13.591 -6.739 16.532 730 HG21 THR 94 HG21 THR 94 -16.251 -4.205 17.942 731 HG22 THR 94 HG22 THR 94 -14.966 -3.519 16.949 732 HG23 THR 94 HG23 THR 94 -14.563 -4.459 18.385 733 H ILE 95 HN ILE 95 -16.844 -7.582 19.675 734 HA ILE 95 HA ILE 95 -19.460 -6.544 18.842 735 HB ILE 95 HB ILE 95 -18.786 -8.593 20.973 736 HG12 ILE 95 HG12 ILE 95 -20.309 -8.937 18.385 737 HG13 ILE 95 HG11 ILE 95 -18.602 -9.337 18.579 738 HG21 ILE 95 HG21 ILE 95 -21.211 -8.886 21.211 739 HG22 ILE 95 HG22 ILE 95 -21.479 -7.558 20.082 740 HG23 ILE 95 HG23 ILE 95 -20.709 -7.250 21.637 741 HD11 ILE 95 HD11 ILE 95 -19.188 -11.000 20.268 742 HD12 ILE 95 HD12 ILE 95 -20.009 -11.314 18.740 743 HD13 ILE 95 HD13 ILE 95 -20.894 -10.588 20.082 744 H TYR 96 HN TYR 96 -20.069 -4.696 19.737 745 HA TYR 96 HA TYR 96 -19.122 -4.073 22.433 746 HB2 TYR 96 HB2 TYR 96 -17.749 -3.004 20.468 747 HB3 TYR 96 HB1 TYR 96 -19.134 -1.928 20.335 748 HD1 TYR 96 HD1 TYR 96 -16.486 -3.110 22.622 749 HD2 TYR 96 HD2 TYR 96 -19.415 -0.126 21.852 750 HE1 TYR 96 HE1 TYR 96 -15.546 -1.741 24.427 751 HE2 TYR 96 HE2 TYR 96 -18.482 1.259 23.659 752 HH TYR 96 HH TYR 96 -15.469 0.573 25.129 753 H CYS 97 HN CYS 97 -20.655 -3.197 23.678 754 HA CYS 97 HA CYS 97 -22.637 -2.358 24.389 755 HB2 CYS 97 HB2 CYS 97 -22.068 -0.502 22.773 756 HB3 CYS 97 HB1 CYS 97 -23.050 -1.325 21.570 757 HG CYS 97 HG CYS 97 -25.021 -1.108 24.065 758 H GLY 98 HN GLY 98 -22.319 -4.973 22.776 759 HA2 GLY 98 HA2 GLY 98 -23.988 -6.688 23.073 760 HA3 GLY 98 HA1 GLY 98 -25.213 -5.499 22.676 761 H ALA 99 HN ALA 99 -23.199 -4.666 20.405 762 HA ALA 99 HA ALA 99 -23.789 -6.919 18.619 763 HB1 ALA 99 HB1 ALA 99 -24.499 -4.056 18.017 764 HB2 ALA 99 HB2 ALA 99 -25.636 -5.356 18.377 765 HB3 ALA 99 HB3 ALA 99 -24.658 -5.420 16.912 766 H ALA 100 HN ALA 100 -22.607 -6.867 16.604 767 HA ALA 100 HA ALA 100 -19.927 -5.911 16.963 768 HB1 ALA 100 HB1 ALA 100 -20.333 -8.054 15.857 769 HB2 ALA 100 HB2 ALA 100 -19.485 -6.941 14.779 770 HB3 ALA 100 HB3 ALA 100 -21.212 -7.232 14.567 771 H ILE 101 HN ILE 101 -18.968 -4.188 15.996 772 HA ILE 101 HA ILE 101 -20.783 -2.359 14.626 773 HB ILE 101 HB ILE 101 -19.084 -0.613 15.008 774 HG12 ILE 101 HG12 ILE 101 -17.578 -2.721 16.576 775 HG13 ILE 101 HG11 ILE 101 -17.098 -2.127 14.990 776 HG21 ILE 101 HG21 ILE 101 -19.855 -2.135 17.492 777 HG22 ILE 101 HG22 ILE 101 -20.842 -0.940 16.650 778 HG23 ILE 101 HG23 ILE 101 -19.343 -0.448 17.441 779 HD11 ILE 101 HD11 ILE 101 -17.307 -0.486 17.506 780 HD12 ILE 101 HD12 ILE 101 -16.828 0.115 15.917 781 HD13 ILE 101 HD13 ILE 101 -15.816 -1.063 16.757 782 H GLY 102 HN GLY 102 -20.428 -1.601 12.595 783 HA2 GLY 102 HA2 GLY 102 -18.161 -2.831 11.157 784 HA3 GLY 102 HA1 GLY 102 -19.785 -2.818 10.484 785 H CYS 103 HN CYS 103 -17.176 -1.642 9.600 786 HA CYS 103 HA CYS 103 -18.226 1.046 9.072 787 HB2 CYS 103 HB2 CYS 103 -15.308 0.380 9.525 788 HB3 CYS 103 HB1 CYS 103 -15.988 1.974 9.212 789 HG CYS 103 HG CYS 103 -17.496 0.749 11.821 790 H VAL 104 HN VAL 104 -18.844 0.811 7.007 791 HA VAL 104 HA VAL 104 -16.918 -0.398 5.139 792 HB VAL 104 HB VAL 104 -18.812 -0.920 3.655 793 HG11 VAL 104 HG11 VAL 104 -19.182 -1.993 6.445 794 HG12 VAL 104 HG12 VAL 104 -18.066 -2.613 5.227 795 HG13 VAL 104 HG13 VAL 104 -19.806 -2.722 4.966 796 HG21 VAL 104 HG21 VAL 104 -21.129 -0.716 4.475 797 HG22 VAL 104 HG22 VAL 104 -20.343 0.851 4.288 798 HG23 VAL 104 HG23 VAL 104 -20.534 0.148 5.894 799 HA PRO 105 HA PRO 105 -16.543 3.389 2.906 800 HB2 PRO 105 HB2 PRO 105 -17.266 1.990 0.392 801 HB3 PRO 105 HB1 PRO 105 -15.790 2.872 0.800 802 HG2 PRO 105 HG2 PRO 105 -15.810 0.203 0.654 803 HG3 PRO 105 HG1 PRO 105 -14.838 1.056 1.866 804 HD2 PRO 105 HD2 PRO 105 -17.441 -0.373 2.181 805 HD3 PRO 105 HD1 PRO 105 -16.045 -0.310 3.280 806 H TYR 106 HN TYR 106 -17.778 5.057 2.110 807 HA TYR 106 HA TYR 106 -20.497 5.010 2.673 808 HB2 TYR 106 HB2 TYR 106 -19.247 7.084 2.665 809 HB3 TYR 106 HB1 TYR 106 -18.945 6.932 0.936 810 HD1 TYR 106 HD1 TYR 106 -21.597 7.502 3.464 811 HD2 TYR 106 HD2 TYR 106 -20.539 7.687 -0.653 812 HE1 TYR 106 HE1 TYR 106 -23.656 8.762 2.995 813 HE2 TYR 106 HE2 TYR 106 -22.593 8.944 -1.131 814 HH TYR 106 HH TYR 106 -24.581 10.252 1.351 815 H LYS 107 HN LYS 107 -22.138 4.207 1.675 816 HA LYS 107 HA LYS 107 -22.142 4.045 -1.251 817 HB2 LYS 107 HB2 LYS 107 -23.182 2.008 0.730 818 HB3 LYS 107 HB1 LYS 107 -23.534 1.965 -0.988 819 HG2 LYS 107 HG2 LYS 107 -21.143 1.698 -1.462 820 HG3 LYS 107 HG1 LYS 107 -20.806 1.727 0.270 821 HD2 LYS 107 HD2 LYS 107 -22.178 -0.270 0.577 822 HD3 LYS 107 HD1 LYS 107 -22.541 -0.294 -1.150 823 HE2 LYS 107 HE2 LYS 107 -20.164 -0.598 -1.641 824 HE3 LYS 107 HE1 LYS 107 -19.801 -0.574 0.085 825 HZ1 LYS 107 HZ1 LYS 107 -19.931 -2.821 -0.846 826 HZ2 LYS 107 HZ2 LYS 107 -21.554 -2.566 -1.245 827 HZ3 LYS 107 HZ3 LYS 107 -21.071 -2.569 0.373 828 H HIS 108 HN HIS 108 -23.930 4.898 -2.171 829 HA HIS 108 HA HIS 108 -25.708 6.451 -0.600 830 HB2 HIS 108 HB2 HIS 108 -25.842 5.624 -3.507 831 HB3 HIS 108 HB1 HIS 108 -26.959 6.761 -2.762 832 HD2 HIS 108 HD2 HIS 108 -25.877 9.307 -2.209 833 HE1 HIS 108 HE1 HIS 108 -22.223 8.615 -4.247 834 HE2 HIS 108 HE2 HIS 108 -23.624 10.300 -3.022 835 H GLU 109 HN GLU 109 -25.981 3.352 -2.217 836 HA GLU 109 HA GLU 109 -28.709 2.879 -1.777 837 HB2 GLU 109 HB2 GLU 109 -27.296 1.614 -3.356 838 HB3 GLU 109 HB1 GLU 109 -26.444 0.892 -2.001 839 HG2 GLU 109 HG2 GLU 109 -28.491 -0.197 -1.276 840 HG3 GLU 109 HG1 GLU 109 -29.370 0.545 -2.613 841 H LEU 110 HN LEU 110 -25.867 2.303 0.206 842 HA LEU 110 HA LEU 110 -27.062 0.701 2.183 843 HB2 LEU 110 HB2 LEU 110 -24.644 0.922 1.950 844 HB3 LEU 110 HB1 LEU 110 -24.738 2.619 2.376 845 HG LEU 110 HG LEU 110 -25.600 1.912 4.633 846 HD11 LEU 110 HD11 LEU 110 -25.176 -0.389 5.333 847 HD12 LEU 110 HD12 LEU 110 -24.718 -0.807 3.682 848 HD13 LEU 110 HD13 LEU 110 -26.373 -0.315 4.041 849 HD21 LEU 110 HD21 LEU 110 -23.388 1.295 5.471 850 HD22 LEU 110 HD22 LEU 110 -23.292 2.601 4.290 851 HD23 LEU 110 HD23 LEU 110 -22.857 0.956 3.824 852 H ILE 111 HN ILE 111 -26.635 4.209 1.903 853 HA ILE 111 HA ILE 111 -27.732 4.891 4.404 854 HB ILE 111 HB ILE 111 -27.768 6.537 1.863 855 HG12 ILE 111 HG12 ILE 111 -25.498 5.791 2.399 856 HG13 ILE 111 HG11 ILE 111 -25.665 7.519 2.677 857 HG21 ILE 111 HG21 ILE 111 -27.952 7.379 4.754 858 HG22 ILE 111 HG22 ILE 111 -29.255 7.426 3.567 859 HG23 ILE 111 HG23 ILE 111 -27.848 8.471 3.372 860 HD11 ILE 111 HD11 ILE 111 -25.673 5.362 4.780 861 HD12 ILE 111 HD12 ILE 111 -25.890 7.086 5.084 862 HD13 ILE 111 HD13 ILE 111 -24.362 6.491 4.434 863 H SER 112 HN SER 112 -29.178 4.648 1.176 864 HA SER 112 HA SER 112 -31.776 5.385 1.876 865 HB2 SER 112 HB2 SER 112 -30.885 3.502 -0.314 866 HB3 SER 112 HB1 SER 112 -32.434 4.341 -0.234 867 HG SER 112 HG SER 112 -31.503 6.144 -0.853 868 H GLU 113 HN GLU 113 -30.182 2.212 1.901 869 HA GLU 113 HA GLU 113 -32.450 0.652 2.480 870 HB2 GLU 113 HB2 GLU 113 -30.283 -0.275 1.750 871 HB3 GLU 113 HB1 GLU 113 -29.582 0.162 3.301 872 HG2 GLU 113 HG2 GLU 113 -31.160 -1.351 4.420 873 HG3 GLU 113 HG1 GLU 113 -31.808 -1.812 2.848 874 H LEU 114 HN LEU 114 -29.994 2.012 4.690 875 HA LEU 114 HA LEU 114 -31.239 1.187 7.043 876 HB2 LEU 114 HB2 LEU 114 -29.177 3.234 6.377 877 HB3 LEU 114 HB1 LEU 114 -29.860 3.195 7.991 878 HG LEU 114 HG LEU 114 -29.154 0.837 8.195 879 HD11 LEU 114 HD11 LEU 114 -29.085 0.191 5.886 880 HD12 LEU 114 HD12 LEU 114 -27.518 -0.088 6.646 881 HD13 LEU 114 HD13 LEU 114 -27.751 1.304 5.588 882 HD21 LEU 114 HD21 LEU 114 -27.768 2.612 9.112 883 HD22 LEU 114 HD22 LEU 114 -26.940 2.780 7.564 884 HD23 LEU 114 HD23 LEU 114 -26.769 1.295 8.499 885 H SER 115 HN SER 115 -31.606 4.119 5.134 886 HA SER 115 HA SER 115 -33.131 5.579 6.965 887 HB2 SER 115 HB2 SER 115 -32.156 6.550 4.911 888 HB3 SER 115 HB1 SER 115 -33.296 5.620 3.939 889 HG SER 115 HG SER 115 -34.939 6.870 4.639 890 H ARG 116 HN ARG 116 -34.133 3.240 4.468 891 HA ARG 116 HA ARG 116 -36.921 3.486 5.168 892 HB2 ARG 116 HB2 ARG 116 -37.349 1.834 3.476 893 HB3 ARG 116 HB1 ARG 116 -36.152 2.958 2.851 894 HG2 ARG 116 HG2 ARG 116 -34.386 1.330 3.363 895 HG3 ARG 116 HG1 ARG 116 -35.615 0.200 3.933 896 HD2 ARG 116 HD2 ARG 116 -35.030 -0.373 1.678 897 HD3 ARG 116 HD1 ARG 116 -36.662 0.298 1.683 898 HE ARG 116 HE ARG 116 -34.445 2.098 1.088 899 HH11 ARG 116 HH11 ARG 116 -37.132 0.198 -0.121 900 HH12 ARG 116 HH12 ARG 116 -37.252 1.067 -1.609 901 HH21 ARG 116 HH21 ARG 116 -34.575 3.236 -0.903 902 HH22 ARG 116 HH22 ARG 116 -35.781 2.812 -2.060 903 H GLU 117 HN GLU 117 -34.351 2.000 6.584 904 HA GLU 117 HA GLU 117 -34.053 0.556 8.267 905 HB2 GLU 117 HB2 GLU 117 -37.053 0.764 8.554 906 HB3 GLU 117 HB1 GLU 117 -35.977 0.013 9.729 907 HG2 GLU 117 HG2 GLU 117 -34.803 2.153 9.993 908 HG3 GLU 117 HG1 GLU 117 -35.935 2.893 8.867 909 H GLY 118 HN GLY 118 -34.684 -0.373 5.513 910 HA2 GLY 118 HA2 GLY 118 -34.407 -2.444 4.528 911 HA3 GLY 118 HA1 GLY 118 -34.495 -3.169 6.121 912 H HIS 119 HN HIS 119 -37.158 -1.857 6.586 913 HA HIS 119 HA HIS 119 -38.679 -4.013 5.397 914 HB2 HIS 119 HB2 HIS 119 -39.059 -3.616 7.737 915 HB3 HIS 119 HB1 HIS 119 -39.399 -1.914 7.453 916 HD2 HIS 119 HD2 HIS 119 -42.050 -1.349 7.063 917 HE1 HIS 119 HE1 HIS 119 -43.408 -5.332 6.566 918 HE2 HIS 119 HE2 HIS 119 -44.063 -2.904 6.608 919 H HIS 120 HN HIS 120 -39.600 -3.808 3.509 920 HA HIS 120 HA HIS 120 -40.919 -1.282 2.838 921 HB2 HIS 120 HB2 HIS 120 -38.721 -1.424 1.652 922 HB3 HIS 120 HB1 HIS 120 -39.275 -2.905 0.885 923 HD2 HIS 120 HD2 HIS 120 -41.221 -2.529 -1.151 924 HE1 HIS 120 HE1 HIS 120 -40.774 1.685 -1.290 925 HE2 HIS 120 HE2 HIS 120 -41.557 -0.363 -2.517 926 H HIS 121 HN HIS 121 -42.786 -2.475 3.601 927 HA HIS 121 HA HIS 121 -44.173 -3.731 1.458 928 HB2 HIS 121 HB2 HIS 121 -42.839 -5.673 2.258 929 HB3 HIS 121 HB1 HIS 121 -43.555 -5.484 3.854 930 HD2 HIS 121 HD2 HIS 121 -45.927 -6.807 4.190 931 HE1 HIS 121 HE1 HIS 121 -46.642 -7.714 0.112 932 HE2 HIS 121 HE2 HIS 121 -47.533 -7.858 2.447 933 H HIS 122 HN HIS 122 -46.300 -3.440 1.681 934 HA HIS 122 HA HIS 122 -47.434 -2.945 4.328 935 HB2 HIS 122 HB2 HIS 122 -47.658 -1.063 1.972 936 HB3 HIS 122 HB1 HIS 122 -48.722 -0.992 3.368 937 HD2 HIS 122 HD2 HIS 122 -45.173 0.081 2.301 938 HE1 HIS 122 HE1 HIS 122 -45.684 1.206 6.352 939 HE2 HIS 122 HE2 HIS 122 -44.290 1.477 4.277 940 H HIS 123 HN HIS 123 -49.872 -2.825 4.167 941 HA HIS 123 HA HIS 123 -50.770 -5.034 2.501 942 HB2 HIS 123 HB2 HIS 123 -51.352 -4.841 4.952 943 HB3 HIS 123 HB1 HIS 123 -52.335 -3.441 4.547 944 HD2 HIS 123 HD2 HIS 123 -54.598 -4.131 2.804 945 HE1 HIS 123 HE1 HIS 123 -54.603 -8.165 4.107 946 HE2 HIS 123 HE2 HIS 123 -55.966 -6.300 3.117 947 H HIS 124 HN HIS 124 -51.504 -4.625 0.533 948 HA HIS 124 HA HIS 124 -52.403 -3.612 -1.280 949 HB2 HIS 124 HB2 HIS 124 -54.483 -3.771 0.097 950 HB3 HIS 124 HB1 HIS 124 -54.148 -2.173 0.751 951 HD2 HIS 124 HD2 HIS 124 -54.802 -0.034 -0.939 952 HE1 HIS 124 HE1 HIS 124 -56.473 -2.412 -4.028 953 HE2 HIS 124 HE2 HIS 124 -55.918 -0.077 -3.266
Contact the webmaster for help, if required. Friday, May 31, 2024 11:29:21 PM GMT (wattos1)