NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12134 | 1slj | 6122 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 30 H1 GLY 30 10.375 10.539 -14.087 2 2H GLY 30 H2 GLY 30 9.774 9.266 -15.028 3 3H GLY 30 H3 GLY 30 10.429 8.952 -13.492 4 1HA GLY 30 HA2 GLY 30 7.950 10.478 -14.069 5 2HA GLY 30 HA1 GLY 30 8.033 8.859 -13.387 6 H SER 31 HN SER 31 6.746 9.855 -11.651 7 HA SER 31 HA SER 31 8.032 11.802 -9.956 8 1HB SER 31 HB2 SER 31 5.536 10.166 -9.446 9 2HB SER 31 HB3 SER 31 6.032 11.625 -8.585 10 HG SER 31 HG SER 31 5.128 12.746 -10.100 11 H HIS 32 HN HIS 32 9.966 10.299 -9.782 12 HA HIS 32 HA HIS 32 9.821 9.014 -7.195 13 1HB HIS 32 HB2 HIS 32 9.219 7.241 -8.942 14 2HB HIS 32 HB3 HIS 32 10.878 7.383 -9.509 15 HD1 HIS 32 HD1 HIS 32 11.219 4.861 -8.832 16 HD2 HIS 32 HD2 HIS 32 10.394 7.441 -5.674 17 HE1 HIS 32 HE1 HIS 32 11.788 3.582 -6.740 18 HE2 HIS 32 HE2 HIS 32 11.112 5.100 -4.845 19 H MET 33 HN MET 33 11.100 11.093 -7.143 20 HA MET 33 HA MET 33 13.888 10.656 -7.957 21 1HB MET 33 HB2 MET 33 12.815 12.754 -8.714 22 2HB MET 33 HB3 MET 33 12.534 13.199 -7.038 23 1HG MET 33 HG2 MET 33 14.935 13.272 -6.640 24 2HG MET 33 HG3 MET 33 15.230 12.793 -8.311 25 1HE MET 33 HE1 MET 33 14.674 14.310 -10.412 26 2HE MET 33 HE2 MET 33 12.995 14.428 -9.885 27 3HE MET 33 HE3 MET 33 13.896 15.887 -10.302 28 H LEU 34 HN LEU 34 14.579 9.311 -6.346 29 HA LEU 34 HA LEU 34 15.363 8.637 -4.342 30 1HB LEU 34 HB2 LEU 34 15.304 11.591 -3.714 31 2HB LEU 34 HB3 LEU 34 16.084 10.376 -2.719 32 HG LEU 34 HG LEU 34 16.856 11.014 -5.569 33 1HD1 LEU 34 HD11 LEU 34 18.796 12.129 -4.609 34 2HD1 LEU 34 HD12 LEU 34 17.304 12.893 -4.057 35 3HD1 LEU 34 HD13 LEU 34 18.190 11.812 -2.981 36 1HD2 LEU 34 HD21 LEU 34 17.391 8.733 -4.918 37 2HD2 LEU 34 HD22 LEU 34 18.859 9.700 -5.041 38 3HD2 LEU 34 HD23 LEU 34 18.184 9.319 -3.456 39 H GLU 35 HN GLU 35 14.034 11.132 -2.420 40 HA GLU 35 HA GLU 35 11.420 10.186 -2.026 41 1HB GLU 35 HB2 GLU 35 11.563 9.026 0.045 42 2HB GLU 35 HB3 GLU 35 12.746 8.270 -1.008 43 1HG GLU 35 HG2 GLU 35 13.358 10.307 1.122 44 2HG GLU 35 HG3 GLU 35 13.548 8.565 1.289 45 H GLN 36 HN GLN 36 10.851 11.008 0.486 46 HA GLN 36 HA GLN 36 11.946 13.736 0.528 47 1HB GLN 36 HB2 GLN 36 9.542 13.586 -0.141 48 2HB GLN 36 HB3 GLN 36 9.190 12.892 1.437 49 1HG GLN 36 HG2 GLN 36 8.661 15.239 1.448 50 2HG GLN 36 HG3 GLN 36 10.036 14.936 2.509 51 1HE2 GLN 36 HE21 GLN 36 8.933 16.458 -0.383 52 2HE2 GLN 36 HE22 GLN 36 10.385 17.329 -0.729 53 H LYS 37 HN LYS 37 13.613 12.961 1.935 54 HA LYS 37 HA LYS 37 14.623 12.874 3.966 55 1HB LYS 37 HB2 LYS 37 12.035 14.025 5.015 56 2HB LYS 37 HB3 LYS 37 13.614 14.118 5.783 57 1HG LYS 37 HG2 LYS 37 12.823 15.407 3.178 58 2HG LYS 37 HG3 LYS 37 13.047 16.223 4.726 59 1HD LYS 37 HD2 LYS 37 15.391 15.711 4.724 60 2HD LYS 37 HD3 LYS 37 15.216 14.683 3.301 61 1HE LYS 37 HE2 LYS 37 14.754 17.660 3.405 62 2HE LYS 37 HE3 LYS 37 16.163 16.855 2.717 63 1HZ LYS 37 HZ1 LYS 37 14.664 17.434 0.965 64 2HZ LYS 37 HZ2 LYS 37 13.359 16.685 1.746 65 3HZ LYS 37 HZ3 LYS 37 14.634 15.746 1.138 66 H LYS 38 HN LYS 38 12.821 10.629 3.111 67 HA LYS 38 HA LYS 38 12.511 9.348 5.727 68 1HB LYS 38 HB2 LYS 38 10.435 8.301 4.929 69 2HB LYS 38 HB3 LYS 38 10.318 10.050 5.003 70 1HG LYS 38 HG2 LYS 38 10.828 10.049 2.517 71 2HG LYS 38 HG3 LYS 38 10.541 8.302 2.566 72 1HD LYS 38 HD2 LYS 38 8.310 8.628 3.366 73 2HD LYS 38 HD3 LYS 38 8.580 10.352 3.596 74 1HE LYS 38 HE2 LYS 38 8.995 10.466 1.094 75 2HE LYS 38 HE3 LYS 38 8.332 8.832 1.021 76 1HZ LYS 38 HZ1 LYS 38 6.598 10.444 0.605 77 2HZ LYS 38 HZ2 LYS 38 6.949 11.249 2.056 78 3HZ LYS 38 HZ3 LYS 38 6.308 9.683 2.098 79 H ALA 39 HN ALA 39 11.752 6.880 5.045 80 HA ALA 39 HA ALA 39 13.925 5.633 3.739 81 1HB ALA 39 HB1 ALA 39 12.499 4.411 5.294 82 2HB ALA 39 HB2 ALA 39 11.114 4.631 4.225 83 3HB ALA 39 HB3 ALA 39 12.474 3.634 3.711 84 H ASN 40 HN ASN 40 13.777 4.467 1.651 85 HA ASN 40 HA ASN 40 12.962 6.204 -0.391 86 1HB ASN 40 HB2 ASN 40 13.695 3.284 -0.506 87 2HB ASN 40 HB3 ASN 40 13.313 4.260 -1.919 88 1HD2 ASN 40 HD21 ASN 40 14.708 5.892 -2.555 89 2HD2 ASN 40 HD22 ASN 40 16.342 5.976 -1.996 90 H ILE 41 HN ILE 41 11.010 6.685 -0.952 91 HA ILE 41 HA ILE 41 8.789 4.952 -0.366 92 HB ILE 41 HB ILE 41 8.788 7.484 -0.158 93 1HG1 ILE 41 HG12 ILE 41 6.443 7.686 -1.134 94 2HG1 ILE 41 HG13 ILE 41 6.647 6.028 -1.702 95 1HG2 ILE 41 HG21 ILE 41 8.231 8.753 -2.195 96 2HG2 ILE 41 HG22 ILE 41 9.854 8.059 -2.230 97 3HG2 ILE 41 HG23 ILE 41 8.554 7.305 -3.152 98 1HD1 ILE 41 HD11 ILE 41 7.023 5.300 0.600 99 2HD1 ILE 41 HD12 ILE 41 6.779 6.956 1.152 100 3HD1 ILE 41 HD13 ILE 41 5.452 6.076 0.395 101 H TYR 42 HN TYR 42 7.401 3.982 -1.942 102 HA TYR 42 HA TYR 42 8.640 3.739 -4.605 103 1HB TYR 42 HB2 TYR 42 7.236 1.544 -3.068 104 2HB TYR 42 HB3 TYR 42 8.020 1.390 -4.635 105 HD1 TYR 42 HD1 TYR 42 8.404 0.950 -1.166 106 HD2 TYR 42 HD2 TYR 42 10.582 1.997 -4.668 107 HE1 TYR 42 HE1 TYR 42 10.497 0.311 -0.045 108 HE2 TYR 42 HE2 TYR 42 12.683 1.362 -3.556 109 HH TYR 42 HH TYR 42 12.802 -0.467 -0.778 110 H LYS 43 HN LYS 43 7.199 3.317 -6.331 111 HA LYS 43 HA LYS 43 4.365 3.776 -5.755 112 1HB LYS 43 HB2 LYS 43 5.386 5.926 -6.396 113 2HB LYS 43 HB3 LYS 43 5.987 5.198 -7.878 114 1HG LYS 43 HG2 LYS 43 3.763 4.918 -8.714 115 2HG LYS 43 HG3 LYS 43 3.072 5.449 -7.177 116 1HD LYS 43 HD2 LYS 43 3.949 7.662 -7.478 117 2HD LYS 43 HD3 LYS 43 4.857 7.158 -8.907 118 1HE LYS 43 HE2 LYS 43 1.855 7.072 -8.684 119 2HE LYS 43 HE3 LYS 43 2.757 8.405 -9.403 120 1HZ LYS 43 HZ1 LYS 43 1.871 6.180 -10.708 121 2HZ LYS 43 HZ2 LYS 43 3.526 5.862 -10.484 122 3HZ LYS 43 HZ3 LYS 43 3.032 7.278 -11.277 123 H GLY 44 HN GLY 44 3.697 1.776 -6.223 124 1HA GLY 44 HA1 GLY 44 4.100 0.811 -8.967 125 2HA GLY 44 HA2 GLY 44 4.523 -0.256 -7.631 126 H LYS 45 HN LYS 45 2.712 -1.354 -9.163 127 HA LYS 45 HA LYS 45 0.064 -0.493 -8.246 128 1HB LYS 45 HB2 LYS 45 0.945 -2.152 -10.589 129 2HB LYS 45 HB3 LYS 45 -0.721 -2.191 -10.014 130 1HG LYS 45 HG2 LYS 45 -0.641 -0.646 -11.804 131 2HG LYS 45 HG3 LYS 45 -0.802 0.291 -10.322 132 1HD LYS 45 HD2 LYS 45 0.791 1.358 -11.783 133 2HD LYS 45 HD3 LYS 45 1.636 0.715 -10.372 134 1HE LYS 45 HE2 LYS 45 2.880 0.258 -12.411 135 2HE LYS 45 HE3 LYS 45 2.314 -1.237 -11.672 136 1HZ LYS 45 HZ1 LYS 45 0.553 -1.373 -13.276 137 2HZ LYS 45 HZ2 LYS 45 2.025 -1.189 -14.093 138 3HZ LYS 45 HZ3 LYS 45 0.975 0.132 -13.941 139 H ILE 46 HN ILE 46 -1.500 -2.006 -7.644 140 HA ILE 46 HA ILE 46 -0.675 -4.119 -5.957 141 HB ILE 46 HB ILE 46 -3.276 -3.101 -7.027 142 1HG1 ILE 46 HG12 ILE 46 -3.897 -3.049 -4.665 143 2HG1 ILE 46 HG13 ILE 46 -2.402 -3.864 -4.229 144 1HG2 ILE 46 HG21 ILE 46 -4.486 -4.980 -6.065 145 2HG2 ILE 46 HG22 ILE 46 -3.441 -5.485 -7.389 146 3HG2 ILE 46 HG23 ILE 46 -2.960 -5.793 -5.720 147 1HD1 ILE 46 HD11 ILE 46 -2.310 -1.473 -3.750 148 2HD1 ILE 46 HD12 ILE 46 -1.131 -1.912 -4.985 149 3HD1 ILE 46 HD13 ILE 46 -2.634 -1.112 -5.444 150 H THR 47 HN THR 47 -0.479 -6.295 -6.382 151 HA THR 47 HA THR 47 -1.155 -7.195 -9.109 152 HB THR 47 HB THR 47 0.882 -8.511 -9.183 153 HG1 THR 47 HG1 THR 47 1.449 -9.013 -7.135 154 1HG2 THR 47 HG21 THR 47 2.506 -6.639 -9.206 155 2HG2 THR 47 HG22 THR 47 1.298 -5.639 -8.389 156 3HG2 THR 47 HG23 THR 47 0.986 -6.250 -10.016 157 H ARG 48 HN ARG 48 -1.598 -7.636 -5.840 158 HA ARG 48 HA ARG 48 -2.939 -10.151 -6.271 159 1HB ARG 48 HB2 ARG 48 -0.484 -10.667 -5.783 160 2HB ARG 48 HB3 ARG 48 -0.797 -10.067 -4.162 161 1HG ARG 48 HG2 ARG 48 -2.757 -11.755 -4.157 162 2HG ARG 48 HG3 ARG 48 -1.881 -12.513 -5.485 163 1HD ARG 48 HD2 ARG 48 0.124 -12.644 -4.014 164 2HD ARG 48 HD3 ARG 48 -0.866 -12.006 -2.693 165 HE ARG 48 HE ARG 48 -1.821 -14.050 -2.418 166 1HH1 ARG 48 HH1 ARG 48 -0.214 -13.999 -5.536 167 2HH1 ARG 48 HH1 ARG 48 -0.472 -15.689 -5.839 168 1HH2 ARG 48 HH2 ARG 48 -2.125 -16.265 -2.792 169 2HH2 ARG 48 HH2 ARG 48 -1.560 -16.989 -4.269 170 H ILE 49 HN ILE 49 -4.773 -9.988 -5.162 171 HA ILE 49 HA ILE 49 -4.687 -8.768 -2.499 172 HB ILE 49 HB ILE 49 -6.779 -8.145 -4.589 173 1HG1 ILE 49 HG12 ILE 49 -4.983 -6.196 -3.192 174 2HG1 ILE 49 HG13 ILE 49 -4.472 -6.997 -4.678 175 1HG2 ILE 49 HG21 ILE 49 -7.733 -8.367 -2.331 176 2HG2 ILE 49 HG22 ILE 49 -6.562 -7.193 -1.731 177 3HG2 ILE 49 HG23 ILE 49 -7.783 -6.700 -2.903 178 1HD1 ILE 49 HD11 ILE 49 -6.468 -6.117 -5.790 179 2HD1 ILE 49 HD12 ILE 49 -6.879 -5.239 -4.312 180 3HD1 ILE 49 HD13 ILE 49 -5.389 -4.856 -5.186 181 H GLU 50 HN GLU 50 -5.176 -10.389 -1.220 182 HA GLU 50 HA GLU 50 -7.193 -12.322 -2.109 183 1HB GLU 50 HB2 GLU 50 -4.879 -12.494 -0.216 184 2HB GLU 50 HB3 GLU 50 -6.210 -13.634 -0.091 185 1HG GLU 50 HG2 GLU 50 -5.853 -14.387 -2.324 186 2HG GLU 50 HG3 GLU 50 -4.645 -13.137 -2.604 187 HA PRO 51 HA PRO 51 -9.971 -10.263 0.767 188 1HB PRO 51 HB2 PRO 51 -11.601 -12.610 -0.057 189 2HB PRO 51 HB3 PRO 51 -12.023 -10.894 -0.063 190 1HG PRO 51 HG2 PRO 51 -11.510 -12.172 -2.336 191 2HG PRO 51 HG3 PRO 51 -10.935 -10.512 -2.082 192 1HD PRO 51 HD2 PRO 51 -9.422 -13.087 -1.916 193 2HD PRO 51 HD3 PRO 51 -8.924 -11.530 -2.611 194 H SER 52 HN SER 52 -8.776 -13.489 0.653 195 HA SER 52 HA SER 52 -9.909 -14.422 3.082 196 1HB SER 52 HB2 SER 52 -7.424 -15.440 1.706 197 2HB SER 52 HB3 SER 52 -8.482 -16.328 2.802 198 HG SER 52 HG SER 52 -8.650 -16.153 0.171 199 H LEU 53 HN LEU 53 -7.073 -12.520 2.287 200 HA LEU 53 HA LEU 53 -6.352 -12.685 5.129 201 1HB LEU 53 HB2 LEU 53 -3.999 -12.096 4.396 202 2HB LEU 53 HB3 LEU 53 -4.569 -13.721 4.098 203 HG LEU 53 HG LEU 53 -5.042 -12.945 1.697 204 1HD1 LEU 53 HD11 LEU 53 -4.902 -10.539 2.138 205 2HD1 LEU 53 HD12 LEU 53 -3.194 -10.725 2.539 206 3HD1 LEU 53 HD13 LEU 53 -3.756 -11.064 0.903 207 1HD2 LEU 53 HD21 LEU 53 -2.698 -13.279 1.062 208 2HD2 LEU 53 HD22 LEU 53 -2.225 -13.075 2.749 209 3HD2 LEU 53 HD23 LEU 53 -3.238 -14.439 2.276 210 H GLU 54 HN GLU 54 -7.479 -10.601 2.759 211 HA GLU 54 HA GLU 54 -7.964 -8.383 2.739 212 1HB GLU 54 HB2 GLU 54 -7.248 -8.395 5.668 213 2HB GLU 54 HB3 GLU 54 -8.274 -7.241 4.831 214 1HG GLU 54 HG2 GLU 54 -8.953 -10.142 4.954 215 2HG GLU 54 HG3 GLU 54 -9.378 -9.037 6.255 216 H ALA 55 HN ALA 55 -5.644 -8.691 1.639 217 HA ALA 55 HA ALA 55 -4.269 -6.283 2.218 218 1HB ALA 55 HB1 ALA 55 -3.356 -7.632 4.031 219 2HB ALA 55 HB2 ALA 55 -2.810 -8.834 2.862 220 3HB ALA 55 HB3 ALA 55 -2.113 -7.215 2.851 221 H ALA 56 HN ALA 56 -2.346 -6.015 0.775 222 HA ALA 56 HA ALA 56 -2.779 -7.512 -1.725 223 1HB ALA 56 HB1 ALA 56 -2.452 -4.527 -1.493 224 2HB ALA 56 HB2 ALA 56 -2.706 -5.447 -2.975 225 3HB ALA 56 HB3 ALA 56 -3.980 -5.362 -1.761 226 H PHE 57 HN PHE 57 -1.017 -7.966 -2.911 227 HA PHE 57 HA PHE 57 1.588 -7.052 -1.957 228 1HB PHE 57 HB2 PHE 57 0.718 -9.200 -3.870 229 2HB PHE 57 HB3 PHE 57 2.373 -8.607 -3.889 230 HD1 PHE 57 HD1 PHE 57 3.754 -8.811 -1.799 231 HD2 PHE 57 HD2 PHE 57 0.011 -10.770 -2.270 232 HE1 PHE 57 HE1 PHE 57 4.352 -10.373 0.005 233 HE2 PHE 57 HE2 PHE 57 0.596 -12.336 -0.464 234 HZ PHE 57 HZ PHE 57 2.770 -12.140 0.674 235 H VAL 58 HN VAL 58 2.950 -5.828 -3.159 236 HA VAL 58 HA VAL 58 1.807 -4.591 -5.586 237 HB VAL 58 HB VAL 58 3.386 -3.268 -3.368 238 1HG1 VAL 58 HG11 VAL 58 3.455 -1.251 -4.683 239 2HG1 VAL 58 HG12 VAL 58 4.223 -2.552 -5.592 240 3HG1 VAL 58 HG13 VAL 58 2.588 -2.034 -6.005 241 1HG2 VAL 58 HG21 VAL 58 0.990 -3.422 -2.979 242 2HG2 VAL 58 HG22 VAL 58 1.464 -1.750 -3.286 243 3HG2 VAL 58 HG23 VAL 58 0.674 -2.688 -4.551 244 H ASP 59 HN ASP 59 3.065 -4.498 -7.335 245 HA ASP 59 HA ASP 59 5.710 -5.748 -7.091 246 1HB ASP 59 HB2 ASP 59 4.055 -6.885 -8.553 247 2HB ASP 59 HB3 ASP 59 3.980 -5.422 -9.548 248 H TYR 60 HN TYR 60 7.063 -4.094 -6.692 249 HA TYR 60 HA TYR 60 7.332 -2.106 -8.843 250 1HB TYR 60 HB2 TYR 60 8.222 -0.535 -7.096 251 2HB TYR 60 HB3 TYR 60 6.524 -0.934 -6.877 252 HD1 TYR 60 HD1 TYR 60 5.925 -2.689 -5.119 253 HD2 TYR 60 HD2 TYR 60 9.778 -0.913 -5.363 254 HE1 TYR 60 HE1 TYR 60 6.389 -3.394 -2.813 255 HE2 TYR 60 HE2 TYR 60 10.254 -1.618 -3.060 256 HH TYR 60 HH TYR 60 9.012 -2.216 -1.029 257 H GLY 61 HN GLY 61 8.675 -4.015 -9.612 258 1HA GLY 61 HA1 GLY 61 10.673 -5.130 -9.873 259 2HA GLY 61 HA2 GLY 61 11.418 -3.644 -9.304 260 H ALA 62 HN ALA 62 9.212 -5.322 -7.222 261 HA ALA 62 HA ALA 62 11.431 -5.832 -5.379 262 1HB ALA 62 HB1 ALA 62 9.552 -4.462 -4.557 263 2HB ALA 62 HB2 ALA 62 8.459 -5.820 -4.829 264 3HB ALA 62 HB3 ALA 62 9.744 -5.948 -3.622 265 H GLU 63 HN GLU 63 12.192 -7.817 -5.177 266 HA GLU 63 HA GLU 63 10.998 -9.994 -6.594 267 1HB GLU 63 HB2 GLU 63 13.337 -10.015 -4.684 268 2HB GLU 63 HB3 GLU 63 12.934 -11.266 -5.854 269 1HG GLU 63 HG2 GLU 63 13.336 -9.692 -7.677 270 2HG GLU 63 HG3 GLU 63 13.739 -8.438 -6.504 271 H ARG 64 HN ARG 64 10.347 -8.719 -3.638 272 HA ARG 64 HA ARG 64 9.366 -11.286 -2.584 273 1HB ARG 64 HB2 ARG 64 10.024 -8.774 -1.037 274 2HB ARG 64 HB3 ARG 64 9.513 -10.309 -0.357 275 1HG ARG 64 HG2 ARG 64 11.932 -10.351 -2.053 276 2HG ARG 64 HG3 ARG 64 12.066 -9.549 -0.490 277 1HD ARG 64 HD2 ARG 64 12.719 -11.886 -0.333 278 2HD ARG 64 HD3 ARG 64 11.282 -11.563 0.628 279 HE ARG 64 HE ARG 64 10.837 -12.634 -2.040 280 1HH1 ARG 64 HH1 ARG 64 11.110 -13.219 1.408 281 2HH1 ARG 64 HH1 ARG 64 10.308 -14.767 1.330 282 1HH2 ARG 64 HH2 ARG 64 9.819 -14.689 -2.146 283 2HH2 ARG 64 HH2 ARG 64 9.617 -15.620 -0.688 284 H HIS 65 HN HIS 65 8.531 -8.385 -3.964 285 HA HIS 65 HA HIS 65 6.704 -7.107 -4.214 286 1HB HIS 65 HB2 HIS 65 5.404 -9.679 -3.374 287 2HB HIS 65 HB3 HIS 65 4.444 -8.218 -3.556 288 HD1 HIS 65 HD1 HIS 65 3.191 -9.221 -5.575 289 HD2 HIS 65 HD2 HIS 65 7.283 -8.823 -6.128 290 HE1 HIS 65 HE1 HIS 65 3.558 -9.463 -8.035 291 HE2 HIS 65 HE2 HIS 65 6.018 -9.038 -8.377 292 H GLY 66 HN GLY 66 5.612 -5.540 -3.175 293 1HA GLY 66 HA1 GLY 66 6.067 -5.331 -0.322 294 2HA GLY 66 HA2 GLY 66 5.363 -4.101 -1.363 295 H PHE 67 HN PHE 67 4.630 -5.808 1.218 296 HA PHE 67 HA PHE 67 1.943 -6.563 0.305 297 1HB PHE 67 HB2 PHE 67 3.444 -8.319 1.300 298 2HB PHE 67 HB3 PHE 67 3.343 -7.443 2.815 299 HD1 PHE 67 HD1 PHE 67 0.983 -8.648 0.207 300 HD2 PHE 67 HD2 PHE 67 1.886 -8.354 4.351 301 HE1 PHE 67 HE1 PHE 67 -1.068 -9.893 0.733 302 HE2 PHE 67 HE2 PHE 67 -0.168 -9.600 4.891 303 HZ PHE 67 HZ PHE 67 -1.656 -10.365 3.070 304 H LEU 68 HN LEU 68 0.508 -5.082 0.671 305 HA LEU 68 HA LEU 68 0.664 -3.388 3.071 306 1HB LEU 68 HB2 LEU 68 0.286 -2.772 0.393 307 2HB LEU 68 HB3 LEU 68 -1.330 -2.688 1.062 308 HG LEU 68 HG LEU 68 1.066 -1.104 1.966 309 1HD1 LEU 68 HD11 LEU 68 -1.483 -0.332 0.568 310 2HD1 LEU 68 HD12 LEU 68 -0.265 0.797 1.165 311 3HD1 LEU 68 HD13 LEU 68 0.139 -0.338 -0.124 312 1HD2 LEU 68 HD21 LEU 68 -0.298 -1.639 3.881 313 2HD2 LEU 68 HD22 LEU 68 -0.528 0.053 3.438 314 3HD2 LEU 68 HD23 LEU 68 -1.757 -1.143 3.019 315 HA PRO 69 HA PRO 69 -2.922 -5.868 4.459 316 1HB PRO 69 HB2 PRO 69 -2.551 -4.265 6.894 317 2HB PRO 69 HB3 PRO 69 -2.501 -6.015 6.690 318 1HG PRO 69 HG2 PRO 69 -0.285 -4.586 7.210 319 2HG PRO 69 HG3 PRO 69 -0.253 -6.024 6.175 320 1HD PRO 69 HD2 PRO 69 -0.266 -3.133 5.393 321 2HD PRO 69 HD3 PRO 69 0.687 -4.475 4.724 322 H LEU 70 HN LEU 70 -5.020 -5.377 4.677 323 HA LEU 70 HA LEU 70 -6.022 -3.092 3.468 324 1HB LEU 70 HB2 LEU 70 -7.371 -4.963 3.375 325 2HB LEU 70 HB3 LEU 70 -7.216 -5.295 5.084 326 HG LEU 70 HG LEU 70 -8.661 -3.349 5.572 327 1HD1 LEU 70 HD11 LEU 70 -8.235 -1.986 3.635 328 2HD1 LEU 70 HD12 LEU 70 -8.926 -3.219 2.576 329 3HD1 LEU 70 HD13 LEU 70 -9.957 -2.359 3.721 330 1HD2 LEU 70 HD21 LEU 70 -9.605 -5.576 5.439 331 2HD2 LEU 70 HD22 LEU 70 -10.744 -4.387 4.810 332 3HD2 LEU 70 HD23 LEU 70 -9.823 -5.402 3.698 333 H LYS 71 HN LYS 71 -5.670 -3.783 6.938 334 HA LYS 71 HA LYS 71 -7.342 -1.636 7.745 335 1HB LYS 71 HB2 LYS 71 -6.531 -2.025 9.982 336 2HB LYS 71 HB3 LYS 71 -6.776 -3.579 9.197 337 1HG LYS 71 HG2 LYS 71 -4.391 -3.781 8.801 338 2HG LYS 71 HG3 LYS 71 -4.123 -2.191 9.521 339 1HD LYS 71 HD2 LYS 71 -5.171 -3.094 11.628 340 2HD LYS 71 HD3 LYS 71 -5.116 -4.690 10.877 341 1HE LYS 71 HE2 LYS 71 -3.194 -4.407 12.302 342 2HE LYS 71 HE3 LYS 71 -2.680 -4.454 10.617 343 1HZ LYS 71 HZ1 LYS 71 -2.498 -2.049 10.625 344 2HZ LYS 71 HZ2 LYS 71 -1.554 -2.707 11.872 345 3HZ LYS 71 HZ3 LYS 71 -3.042 -1.985 12.231 346 H GLU 72 HN GLU 72 -4.287 -1.610 6.365 347 HA GLU 72 HA GLU 72 -3.439 0.861 7.666 348 1HB GLU 72 HB2 GLU 72 -2.080 -0.493 5.341 349 2HB GLU 72 HB3 GLU 72 -1.371 0.577 6.544 350 1HG GLU 72 HG2 GLU 72 -2.414 -2.180 7.155 351 2HG GLU 72 HG3 GLU 72 -0.740 -1.828 6.746 352 H ILE 73 HN ILE 73 -5.199 -0.211 4.955 353 HA ILE 73 HA ILE 73 -4.338 1.286 2.831 354 HB ILE 73 HB ILE 73 -6.977 0.104 3.538 355 1HG1 ILE 73 HG12 ILE 73 -4.937 -0.351 1.356 356 2HG1 ILE 73 HG13 ILE 73 -5.264 -1.382 2.745 357 1HG2 ILE 73 HG21 ILE 73 -6.512 1.812 1.104 358 2HG2 ILE 73 HG22 ILE 73 -7.881 0.724 1.329 359 3HG2 ILE 73 HG23 ILE 73 -7.666 2.103 2.406 360 1HD1 ILE 73 HD11 ILE 73 -6.200 -2.295 0.697 361 2HD1 ILE 73 HD12 ILE 73 -7.465 -1.891 1.854 362 3HD1 ILE 73 HD13 ILE 73 -7.161 -0.833 0.479 363 H ALA 74 HN ALA 74 -4.523 3.242 2.054 364 HA ALA 74 HA ALA 74 -5.748 5.329 3.679 365 1HB ALA 74 HB1 ALA 74 -3.446 5.669 2.955 366 2HB ALA 74 HB2 ALA 74 -3.932 5.496 1.267 367 3HB ALA 74 HB3 ALA 74 -4.503 6.871 2.212 368 H ARG 75 HN ARG 75 -7.067 6.933 2.746 369 HA ARG 75 HA ARG 75 -9.223 6.106 1.189 370 1HB ARG 75 HB2 ARG 75 -9.163 8.066 2.729 371 2HB ARG 75 HB3 ARG 75 -8.210 8.934 1.536 372 1HG ARG 75 HG2 ARG 75 -10.369 9.719 1.221 373 2HG ARG 75 HG3 ARG 75 -10.169 8.518 -0.055 374 1HD ARG 75 HD2 ARG 75 -11.382 6.883 1.236 375 2HD ARG 75 HD3 ARG 75 -11.483 7.986 2.606 376 HE ARG 75 HE ARG 75 -13.198 7.908 0.337 377 1HH1 ARG 75 HH1 ARG 75 -11.753 10.136 2.636 378 2HH1 ARG 75 HH1 ARG 75 -13.036 11.295 2.502 379 1HH2 ARG 75 HH2 ARG 75 -14.912 9.405 0.231 380 2HH2 ARG 75 HH2 ARG 75 -14.821 10.889 1.133 381 H GLU 76 HN GLU 76 -6.071 7.100 0.101 382 HA GLU 76 HA GLU 76 -6.788 8.035 -2.466 383 1HB GLU 76 HB2 GLU 76 -4.480 8.043 -1.257 384 2HB GLU 76 HB3 GLU 76 -4.279 6.458 -2.000 385 1HG GLU 76 HG2 GLU 76 -3.250 8.028 -3.435 386 2HG GLU 76 HG3 GLU 76 -4.760 7.541 -4.206 387 H TYR 77 HN TYR 77 -6.791 4.886 -1.107 388 HA TYR 77 HA TYR 77 -6.382 3.505 -3.616 389 1HB TYR 77 HB2 TYR 77 -7.139 2.411 -0.898 390 2HB TYR 77 HB3 TYR 77 -6.647 1.459 -2.293 391 HD1 TYR 77 HD1 TYR 77 -4.577 4.069 -2.726 392 HD2 TYR 77 HD2 TYR 77 -5.229 0.982 0.130 393 HE1 TYR 77 HE1 TYR 77 -2.234 4.246 -2.004 394 HE2 TYR 77 HE2 TYR 77 -2.892 1.157 0.858 395 HH TYR 77 HH TYR 77 -0.855 3.731 -0.074 396 H PHE 78 HN PHE 78 -8.983 3.740 -1.228 397 HA PHE 78 HA PHE 78 -10.914 3.187 -3.350 398 1HB PHE 78 HB2 PHE 78 -12.606 3.128 -1.514 399 2HB PHE 78 HB3 PHE 78 -11.357 1.908 -1.347 400 HD1 PHE 78 HD1 PHE 78 -9.225 2.954 0.084 401 HD2 PHE 78 HD2 PHE 78 -13.332 4.001 0.443 402 HE1 PHE 78 HE1 PHE 78 -8.831 3.686 2.395 403 HE2 PHE 78 HE2 PHE 78 -12.941 4.739 2.754 404 HZ PHE 78 HZ PHE 78 -10.689 4.582 3.734 405 HA PRO 79 HA PRO 79 -10.146 7.332 -4.305 406 1HB PRO 79 HB2 PRO 79 -12.703 7.754 -5.466 407 2HB PRO 79 HB3 PRO 79 -11.202 7.320 -6.289 408 1HG PRO 79 HG2 PRO 79 -13.418 5.583 -5.341 409 2HG PRO 79 HG3 PRO 79 -12.382 5.402 -6.772 410 1HD PRO 79 HD2 PRO 79 -12.002 3.847 -4.660 411 2HD PRO 79 HD3 PRO 79 -10.599 4.548 -5.498 412 H ALA 80 HN ALA 80 -10.355 9.227 -3.427 413 HA ALA 80 HA ALA 80 -11.723 9.793 -1.120 414 1HB ALA 80 HB1 ALA 80 -11.187 12.118 -1.544 415 2HB ALA 80 HB2 ALA 80 -9.840 11.076 -2.010 416 3HB ALA 80 HB3 ALA 80 -10.897 11.756 -3.247 417 H ASN 81 HN ASN 81 -13.106 9.596 -4.253 418 HA ASN 81 HA ASN 81 -15.391 11.273 -3.621 419 1HB ASN 81 HB2 ASN 81 -14.845 9.452 -5.977 420 2HB ASN 81 HB3 ASN 81 -16.282 10.451 -5.807 421 1HD2 ASN 81 HD21 ASN 81 -15.915 11.686 -7.585 422 2HD2 ASN 81 HD22 ASN 81 -14.614 12.818 -7.703 423 H TYR 82 HN TYR 82 -14.396 8.177 -2.925 424 HA TYR 82 HA TYR 82 -17.038 6.943 -2.922 425 1HB TYR 82 HB2 TYR 82 -14.908 5.757 -3.650 426 2HB TYR 82 HB3 TYR 82 -14.406 5.787 -1.964 427 HD1 TYR 82 HD1 TYR 82 -17.131 4.593 -4.193 428 HD2 TYR 82 HD2 TYR 82 -15.039 4.056 -0.531 429 HE1 TYR 82 HE1 TYR 82 -18.325 2.477 -3.834 430 HE2 TYR 82 HE2 TYR 82 -16.231 1.937 -0.153 431 HH TYR 82 HH TYR 82 -18.096 0.423 -2.617 432 H SER 83 HN SER 83 -18.166 6.457 -1.070 433 HA SER 83 HA SER 83 -17.767 8.104 1.185 434 1HB SER 83 HB2 SER 83 -19.514 5.644 0.976 435 2HB SER 83 HB3 SER 83 -19.703 6.985 2.105 436 HG SER 83 HG SER 83 -21.120 7.147 0.303 437 H ALA 84 HN ALA 84 -16.559 7.826 2.939 438 HA ALA 84 HA ALA 84 -15.670 5.093 3.641 439 1HB ALA 84 HB1 ALA 84 -13.860 6.294 2.494 440 2HB ALA 84 HB2 ALA 84 -13.956 7.577 3.699 441 3HB ALA 84 HB3 ALA 84 -13.466 5.950 4.176 442 H HIS 85 HN HIS 85 -16.477 4.633 5.572 443 HA HIS 85 HA HIS 85 -16.232 6.619 7.710 444 1HB HIS 85 HB2 HIS 85 -18.773 5.221 6.907 445 2HB HIS 85 HB3 HIS 85 -18.529 5.806 8.547 446 HD1 HIS 85 HD1 HIS 85 -19.949 6.814 5.449 447 HD2 HIS 85 HD2 HIS 85 -17.822 8.736 8.463 448 HE1 HIS 85 HE1 HIS 85 -20.439 9.269 5.171 449 HE2 HIS 85 HE2 HIS 85 -18.998 10.421 6.893 450 H GLY 86 HN GLY 86 -14.406 5.202 8.154 451 1HA GLY 86 HA1 GLY 86 -14.173 3.872 10.283 452 2HA GLY 86 HA2 GLY 86 -15.261 2.724 9.517 453 H ARG 87 HN ARG 87 -14.353 1.073 8.496 454 HA ARG 87 HA ARG 87 -11.539 1.336 7.672 455 1HB ARG 87 HB2 ARG 87 -11.897 -0.065 9.721 456 2HB ARG 87 HB3 ARG 87 -12.869 -1.158 8.749 457 1HG ARG 87 HG2 ARG 87 -10.558 -1.944 9.102 458 2HG ARG 87 HG3 ARG 87 -10.970 -1.736 7.400 459 1HD ARG 87 HD2 ARG 87 -8.691 -0.885 8.139 460 2HD ARG 87 HD3 ARG 87 -9.698 0.232 7.217 461 HE ARG 87 HE ARG 87 -10.049 0.537 10.039 462 1HH1 ARG 87 HH1 ARG 87 -7.893 1.327 7.397 463 2HH1 ARG 87 HH1 ARG 87 -7.346 2.811 8.111 464 1HH2 ARG 87 HH2 ARG 87 -9.359 2.492 10.975 465 2HH2 ARG 87 HH2 ARG 87 -8.198 3.484 10.150 466 HA PRO 88 HA PRO 88 -13.206 0.411 3.622 467 1HB PRO 88 HB2 PRO 88 -10.650 -0.124 2.595 468 2HB PRO 88 HB3 PRO 88 -11.480 1.435 2.563 469 1HG PRO 88 HG2 PRO 88 -9.351 0.441 4.371 470 2HG PRO 88 HG3 PRO 88 -9.684 2.098 3.824 471 1HD PRO 88 HD2 PRO 88 -10.276 1.228 6.319 472 2HD PRO 88 HD3 PRO 88 -11.228 2.464 5.479 473 H ASN 89 HN ASN 89 -13.124 -1.421 2.107 474 HA ASN 89 HA ASN 89 -12.114 -3.911 3.306 475 1HB ASN 89 HB2 ASN 89 -13.951 -4.999 1.818 476 2HB ASN 89 HB3 ASN 89 -14.403 -4.264 3.345 477 1HD2 ASN 89 HD21 ASN 89 -13.719 -2.602 0.284 478 2HD2 ASN 89 HD22 ASN 89 -15.322 -1.957 0.087 479 H ILE 90 HN ILE 90 -10.371 -4.617 2.285 480 HA ILE 90 HA ILE 90 -9.310 -3.202 0.136 481 HB ILE 90 HB ILE 90 -7.966 -4.393 1.815 482 1HG1 ILE 90 HG12 ILE 90 -7.243 -5.318 -0.955 483 2HG1 ILE 90 HG13 ILE 90 -7.099 -3.639 -0.442 484 1HG2 ILE 90 HG21 ILE 90 -9.168 -6.509 1.923 485 2HG2 ILE 90 HG22 ILE 90 -8.692 -6.879 0.265 486 3HG2 ILE 90 HG23 ILE 90 -7.467 -6.781 1.533 487 1HD1 ILE 90 HD11 ILE 90 -4.992 -4.911 -0.303 488 2HD1 ILE 90 HD12 ILE 90 -5.513 -4.243 1.245 489 3HD1 ILE 90 HD13 ILE 90 -5.745 -5.956 0.904 490 H LYS 91 HN LYS 91 -10.944 -6.314 0.135 491 HA LYS 91 HA LYS 91 -10.408 -7.133 -2.444 492 1HB LYS 91 HB2 LYS 91 -12.776 -8.220 -2.181 493 2HB LYS 91 HB3 LYS 91 -11.434 -8.732 -1.167 494 1HG LYS 91 HG2 LYS 91 -12.469 -6.727 0.334 495 2HG LYS 91 HG3 LYS 91 -13.924 -7.353 -0.453 496 1HD LYS 91 HD2 LYS 91 -13.458 -9.575 0.349 497 2HD LYS 91 HD3 LYS 91 -11.904 -9.056 1.003 498 1HE LYS 91 HE2 LYS 91 -13.212 -7.454 2.462 499 2HE LYS 91 HE3 LYS 91 -14.663 -8.321 1.956 500 1HZ LYS 91 HZ1 LYS 91 -12.324 -9.468 3.381 501 2HZ LYS 91 HZ2 LYS 91 -13.646 -10.372 2.814 502 3HZ LYS 91 HZ3 LYS 91 -13.871 -9.209 4.028 503 H ASP 92 HN ASP 92 -12.533 -4.566 -1.430 504 HA ASP 92 HA ASP 92 -13.248 -4.157 -4.261 505 1HB ASP 92 HB2 ASP 92 -15.205 -4.886 -2.879 506 2HB ASP 92 HB3 ASP 92 -14.989 -3.451 -1.885 507 H VAL 93 HN VAL 93 -11.078 -3.171 -2.435 508 HA VAL 93 HA VAL 93 -11.568 -0.281 -2.738 509 HB VAL 93 HB VAL 93 -10.048 -1.781 -0.615 510 1HG1 VAL 93 HG11 VAL 93 -8.492 -0.107 -1.409 511 2HG1 VAL 93 HG12 VAL 93 -9.737 1.138 -1.309 512 3HG1 VAL 93 HG13 VAL 93 -9.134 0.374 0.163 513 1HG2 VAL 93 HG21 VAL 93 -12.122 0.406 -0.545 514 2HG2 VAL 93 HG22 VAL 93 -12.371 -1.293 -0.154 515 3HG2 VAL 93 HG23 VAL 93 -11.342 -0.294 0.871 516 H LEU 94 HN LEU 94 -9.074 -2.797 -2.736 517 HA LEU 94 HA LEU 94 -7.521 -1.153 -4.598 518 1HB LEU 94 HB2 LEU 94 -6.788 -3.452 -2.809 519 2HB LEU 94 HB3 LEU 94 -5.758 -2.967 -4.140 520 HG LEU 94 HG LEU 94 -6.555 -1.185 -1.836 521 1HD1 LEU 94 HD11 LEU 94 -5.067 -2.981 -1.128 522 2HD1 LEU 94 HD12 LEU 94 -3.955 -2.592 -2.440 523 3HD1 LEU 94 HD13 LEU 94 -4.221 -1.432 -1.137 524 1HD2 LEU 94 HD21 LEU 94 -4.881 0.336 -2.741 525 2HD2 LEU 94 HD22 LEU 94 -4.589 -0.770 -4.085 526 3HD2 LEU 94 HD23 LEU 94 -6.154 0.027 -3.922 527 H ARG 95 HN ARG 95 -6.777 -2.040 -6.513 528 HA ARG 95 HA ARG 95 -7.670 -4.683 -7.281 529 1HB ARG 95 HB2 ARG 95 -8.444 -3.663 -9.537 530 2HB ARG 95 HB3 ARG 95 -9.539 -3.645 -8.167 531 1HG ARG 95 HG2 ARG 95 -7.816 -1.264 -8.664 532 2HG ARG 95 HG3 ARG 95 -9.231 -1.533 -9.682 533 1HD ARG 95 HD2 ARG 95 -9.151 -1.194 -6.686 534 2HD ARG 95 HD3 ARG 95 -9.892 -0.116 -7.869 535 HE ARG 95 HE ARG 95 -11.054 -2.671 -8.067 536 1HH1 ARG 95 HH1 ARG 95 -11.028 0.150 -5.981 537 2HH1 ARG 95 HH1 ARG 95 -12.571 -0.220 -5.267 538 1HH2 ARG 95 HH2 ARG 95 -13.068 -3.150 -7.142 539 2HH2 ARG 95 HH2 ARG 95 -13.745 -2.095 -5.936 540 H GLU 96 HN GLU 96 -6.346 -5.652 -8.684 541 HA GLU 96 HA GLU 96 -3.707 -4.865 -8.885 542 1HB GLU 96 HB2 GLU 96 -5.267 -6.776 -10.636 543 2HB GLU 96 HB3 GLU 96 -3.510 -6.665 -10.587 544 1HG GLU 96 HG2 GLU 96 -3.358 -7.633 -8.522 545 2HG GLU 96 HG3 GLU 96 -4.969 -7.106 -8.037 546 H GLY 97 HN GLY 97 -2.677 -3.450 -10.076 547 1HA GLY 97 HA1 GLY 97 -2.270 -2.359 -12.202 548 2HA GLY 97 HA2 GLY 97 -3.999 -2.414 -12.502 549 H GLN 98 HN GLN 98 -4.052 -1.687 -9.413 550 HA GLN 98 HA GLN 98 -4.022 1.193 -9.842 551 1HB GLN 98 HB2 GLN 98 -5.874 0.109 -8.561 552 2HB GLN 98 HB3 GLN 98 -4.705 -0.357 -7.336 553 1HG GLN 98 HG2 GLN 98 -4.182 2.010 -6.946 554 2HG GLN 98 HG3 GLN 98 -5.410 2.459 -8.125 555 1HE2 GLN 98 HE21 GLN 98 -7.261 0.386 -7.299 556 2HE2 GLN 98 HE22 GLN 98 -7.915 0.897 -5.781 557 H GLU 99 HN GLU 99 -2.411 2.490 -9.202 558 HA GLU 99 HA GLU 99 -0.049 1.311 -8.016 559 1HB GLU 99 HB2 GLU 99 0.917 3.584 -8.342 560 2HB GLU 99 HB3 GLU 99 0.300 2.857 -9.831 561 1HG GLU 99 HG2 GLU 99 -1.733 4.170 -9.635 562 2HG GLU 99 HG3 GLU 99 -1.149 4.857 -8.113 563 H VAL 100 HN VAL 100 1.002 2.183 -6.178 564 HA VAL 100 HA VAL 100 -0.597 3.907 -4.429 565 HB VAL 100 HB VAL 100 -0.070 2.557 -2.486 566 1HG1 VAL 100 HG11 VAL 100 -1.512 0.617 -2.924 567 2HG1 VAL 100 HG12 VAL 100 -2.177 2.114 -3.576 568 3HG1 VAL 100 HG13 VAL 100 -1.406 0.949 -4.653 569 1HG2 VAL 100 HG21 VAL 100 1.145 0.582 -4.414 570 2HG2 VAL 100 HG22 VAL 100 2.035 1.586 -3.263 571 3HG2 VAL 100 HG23 VAL 100 0.932 0.335 -2.681 572 H ILE 101 HN ILE 101 0.658 5.069 -2.894 573 HA ILE 101 HA ILE 101 3.540 5.179 -3.454 574 HB ILE 101 HB ILE 101 2.166 7.091 -1.599 575 1HG1 ILE 101 HG12 ILE 101 0.697 7.037 -3.575 576 2HG1 ILE 101 HG13 ILE 101 1.556 8.566 -3.459 577 1HG2 ILE 101 HG21 ILE 101 3.847 8.639 -2.484 578 2HG2 ILE 101 HG22 ILE 101 4.582 7.170 -1.841 579 3HG2 ILE 101 HG23 ILE 101 4.415 7.383 -3.583 580 1HD1 ILE 101 HD11 ILE 101 3.125 7.810 -5.164 581 2HD1 ILE 101 HD12 ILE 101 2.257 6.278 -5.272 582 3HD1 ILE 101 HD13 ILE 101 1.460 7.777 -5.745 583 H VAL 102 HN VAL 102 4.711 3.904 -2.116 584 HA VAL 102 HA VAL 102 3.935 3.639 0.696 585 HB VAL 102 HB VAL 102 4.175 1.106 0.445 586 1HG1 VAL 102 HG11 VAL 102 1.815 0.828 -0.123 587 2HG1 VAL 102 HG12 VAL 102 2.059 2.203 0.957 588 3HG1 VAL 102 HG13 VAL 102 1.774 2.471 -0.763 589 1HG2 VAL 102 HG21 VAL 102 3.675 1.870 -2.427 590 2HG2 VAL 102 HG22 VAL 102 5.084 1.029 -1.781 591 3HG2 VAL 102 HG23 VAL 102 3.509 0.238 -1.784 592 H GLN 103 HN GLN 103 5.569 3.003 2.043 593 HA GLN 103 HA GLN 103 8.114 2.253 0.790 594 1HB GLN 103 HB2 GLN 103 9.339 3.526 2.469 595 2HB GLN 103 HB3 GLN 103 8.258 4.588 1.575 596 1HG GLN 103 HG2 GLN 103 6.674 4.547 3.419 597 2HG GLN 103 HG3 GLN 103 7.733 3.459 4.317 598 1HE2 GLN 103 HE21 GLN 103 8.043 4.845 6.017 599 2HE2 GLN 103 HE22 GLN 103 8.975 6.297 5.881 600 H ILE 104 HN ILE 104 9.508 1.009 2.289 601 HA ILE 104 HA ILE 104 7.836 -1.011 3.507 602 HB ILE 104 HB ILE 104 10.789 -0.936 2.923 603 1HG1 ILE 104 HG12 ILE 104 9.493 -1.117 0.925 604 2HG1 ILE 104 HG13 ILE 104 10.102 -2.727 1.289 605 1HG2 ILE 104 HG21 ILE 104 10.829 -3.314 3.498 606 2HG2 ILE 104 HG22 ILE 104 10.408 -2.317 4.891 607 3HG2 ILE 104 HG23 ILE 104 9.152 -3.210 4.032 608 1HD1 ILE 104 HD11 ILE 104 7.319 -1.734 1.884 609 2HD1 ILE 104 HD12 ILE 104 7.778 -2.793 0.551 610 3HD1 ILE 104 HD13 ILE 104 7.935 -3.352 2.215 611 H ASP 105 HN ASP 105 7.197 -0.770 5.453 612 HA ASP 105 HA ASP 105 8.744 0.661 7.447 613 1HB ASP 105 HB2 ASP 105 6.236 0.861 7.212 614 2HB ASP 105 HB3 ASP 105 6.110 -0.801 7.774 615 H LYS 106 HN LYS 106 7.607 -2.612 6.780 616 HA LYS 106 HA LYS 106 9.449 -3.596 8.842 617 1HB LYS 106 HB2 LYS 106 7.069 -5.039 7.655 618 2HB LYS 106 HB3 LYS 106 8.163 -5.700 8.856 619 1HG LYS 106 HG2 LYS 106 6.291 -5.075 10.079 620 2HG LYS 106 HG3 LYS 106 7.420 -3.746 10.336 621 1HD LYS 106 HD2 LYS 106 6.263 -2.380 8.732 622 2HD LYS 106 HD3 LYS 106 5.234 -3.730 8.255 623 1HE LYS 106 HE2 LYS 106 4.020 -2.217 9.705 624 2HE LYS 106 HE3 LYS 106 4.258 -3.769 10.505 625 1HZ LYS 106 HZ1 LYS 106 5.971 -1.383 10.955 626 2HZ LYS 106 HZ2 LYS 106 6.001 -2.844 11.824 627 3HZ LYS 106 HZ3 LYS 106 4.659 -1.815 11.941 628 H GLU 107 HN GLU 107 11.133 -4.798 8.203 629 HA GLU 107 HA GLU 107 11.658 -4.800 5.372 630 1HB GLU 107 HB2 GLU 107 13.366 -5.461 7.768 631 2HB GLU 107 HB3 GLU 107 13.931 -5.414 6.117 632 1HG GLU 107 HG2 GLU 107 13.306 -3.018 6.017 633 2HG GLU 107 HG3 GLU 107 12.900 -3.109 7.733 634 H GLU 108 HN GLU 108 12.575 -6.641 4.317 635 HA GLU 108 HA GLU 108 11.188 -9.032 4.854 636 1HB GLU 108 HB2 GLU 108 12.628 -8.022 2.699 637 2HB GLU 108 HB3 GLU 108 13.544 -9.435 3.215 638 1HG GLU 108 HG2 GLU 108 10.625 -9.355 2.508 639 2HG GLU 108 HG3 GLU 108 11.920 -10.036 1.530 640 H ARG 109 HN ARG 109 11.698 -10.734 5.945 641 HA ARG 109 HA ARG 109 14.370 -11.129 7.015 642 1HB ARG 109 HB2 ARG 109 13.291 -11.492 9.318 643 2HB ARG 109 HB3 ARG 109 13.511 -9.832 8.789 644 1HG ARG 109 HG2 ARG 109 11.104 -9.961 7.968 645 2HG ARG 109 HG3 ARG 109 10.979 -11.435 8.923 646 1HD ARG 109 HD2 ARG 109 10.180 -9.470 10.161 647 2HD ARG 109 HD3 ARG 109 11.578 -10.212 10.935 648 HE ARG 109 HE ARG 109 12.805 -8.350 9.555 649 1HH1 ARG 109 HH1 ARG 109 9.758 -8.054 11.274 650 2HH1 ARG 109 HH1 ARG 109 10.025 -6.390 11.697 651 1HH2 ARG 109 HH2 ARG 109 13.133 -6.157 10.085 652 2HH2 ARG 109 HH2 ARG 109 11.913 -5.301 10.984 653 H GLY 110 HN GLY 110 12.064 -12.250 5.262 654 1HA GLY 110 HA1 GLY 110 11.840 -14.426 4.478 655 2HA GLY 110 HA2 GLY 110 12.637 -15.017 5.929 656 H ASN 111 HN ASN 111 10.293 -12.870 6.880 657 HA ASN 111 HA ASN 111 8.355 -15.049 7.233 658 1HB ASN 111 HB2 ASN 111 9.792 -14.813 9.244 659 2HB ASN 111 HB3 ASN 111 9.220 -13.157 9.421 660 1HD2 ASN 111 HD21 ASN 111 8.356 -16.523 9.579 661 2HD2 ASN 111 HD22 ASN 111 6.899 -16.316 10.494 662 H LYS 112 HN LYS 112 8.866 -11.587 6.850 663 HA LYS 112 HA LYS 112 5.961 -11.246 7.018 664 1HB LYS 112 HB2 LYS 112 7.016 -10.208 8.971 665 2HB LYS 112 HB3 LYS 112 8.076 -9.287 7.917 666 1HG LYS 112 HG2 LYS 112 6.282 -7.908 8.782 667 2HG LYS 112 HG3 LYS 112 6.160 -8.072 7.032 668 1HD LYS 112 HD2 LYS 112 3.970 -8.248 8.137 669 2HD LYS 112 HD3 LYS 112 4.403 -9.728 7.281 670 1HE LYS 112 HE2 LYS 112 5.004 -10.815 9.337 671 2HE LYS 112 HE3 LYS 112 4.814 -9.311 10.239 672 1HZ LYS 112 HZ1 LYS 112 2.567 -10.553 8.766 673 2HZ LYS 112 HZ2 LYS 112 2.503 -9.371 9.980 674 3HZ LYS 112 HZ3 LYS 112 2.926 -10.966 10.372 675 H GLY 113 HN GLY 113 8.952 -10.038 5.665 676 1HA GLY 113 HA1 GLY 113 9.201 -10.146 3.301 677 2HA GLY 113 HA2 GLY 113 7.478 -9.863 3.142 678 H ALA 114 HN ALA 114 8.123 -8.244 1.650 679 HA ALA 114 HA ALA 114 9.229 -5.793 2.710 680 1HB ALA 114 HB1 ALA 114 9.715 -6.411 0.412 681 2HB ALA 114 HB2 ALA 114 7.992 -6.417 0.032 682 3HB ALA 114 HB3 ALA 114 8.795 -4.905 0.460 683 H ALA 115 HN ALA 115 7.774 -5.185 4.354 684 HA ALA 115 HA ALA 115 4.929 -5.192 3.781 685 1HB ALA 115 HB1 ALA 115 6.370 -4.297 6.265 686 2HB ALA 115 HB2 ALA 115 4.634 -4.550 6.097 687 3HB ALA 115 HB3 ALA 115 5.740 -5.920 5.974 688 H LEU 116 HN LEU 116 3.763 -3.538 3.136 689 HA LEU 116 HA LEU 116 5.109 -0.989 2.704 690 1HB LEU 116 HB2 LEU 116 2.337 -1.848 1.879 691 2HB LEU 116 HB3 LEU 116 3.195 -0.423 1.327 692 HG LEU 116 HG LEU 116 4.088 -3.248 0.763 693 1HD1 LEU 116 HD11 LEU 116 1.947 -2.837 -0.283 694 2HD1 LEU 116 HD12 LEU 116 2.535 -1.311 -0.942 695 3HD1 LEU 116 HD13 LEU 116 3.224 -2.836 -1.498 696 1HD2 LEU 116 HD21 LEU 116 4.932 -0.580 -0.364 697 2HD2 LEU 116 HD22 LEU 116 5.883 -1.608 0.703 698 3HD2 LEU 116 HD23 LEU 116 5.492 -2.155 -0.926 699 H THR 117 HN THR 117 4.661 0.831 3.777 700 HA THR 117 HA THR 117 2.659 0.744 5.904 701 HB THR 117 HB THR 117 4.998 1.576 6.349 702 HG1 THR 117 HG1 THR 117 3.620 2.304 7.861 703 1HG2 THR 117 HG21 THR 117 5.307 2.781 4.223 704 2HG2 THR 117 HG22 THR 117 5.608 3.809 5.623 705 3HG2 THR 117 HG23 THR 117 4.095 3.955 4.732 706 H THR 118 HN THR 118 1.421 2.854 6.206 707 HA THR 118 HA THR 118 0.806 4.137 3.635 708 HB THR 118 HB THR 118 -1.522 4.502 4.695 709 HG1 THR 118 HG1 THR 118 -2.088 2.839 6.164 710 1HG2 THR 118 HG21 THR 118 -1.142 3.128 2.724 711 2HG2 THR 118 HG22 THR 118 -2.302 2.339 3.793 712 3HG2 THR 118 HG23 THR 118 -0.629 1.779 3.738 713 H PHE 119 HN PHE 119 2.530 4.674 6.085 714 HA PHE 119 HA PHE 119 1.481 7.154 7.129 715 1HB PHE 119 HB2 PHE 119 3.027 5.496 8.345 716 2HB PHE 119 HB3 PHE 119 4.324 6.162 7.360 717 HD1 PHE 119 HD1 PHE 119 1.540 7.388 9.520 718 HD2 PHE 119 HD2 PHE 119 5.599 7.803 8.316 719 HE1 PHE 119 HE1 PHE 119 1.841 9.183 11.175 720 HE2 PHE 119 HE2 PHE 119 5.909 9.601 9.964 721 HZ PHE 119 HZ PHE 119 4.029 10.292 11.397 722 H ILE 120 HN ILE 120 1.387 7.319 4.486 723 HA ILE 120 HA ILE 120 3.582 9.124 3.711 724 HB ILE 120 HB ILE 120 2.112 7.317 1.775 725 1HG1 ILE 120 HG12 ILE 120 4.750 6.402 2.001 726 2HG1 ILE 120 HG13 ILE 120 4.193 6.615 3.659 727 1HG2 ILE 120 HG21 ILE 120 3.160 9.256 0.769 728 2HG2 ILE 120 HG22 ILE 120 4.693 8.858 1.544 729 3HG2 ILE 120 HG23 ILE 120 4.026 7.788 0.310 730 1HD1 ILE 120 HD11 ILE 120 3.806 4.348 2.802 731 2HD1 ILE 120 HD12 ILE 120 2.310 5.168 3.251 732 3HD1 ILE 120 HD13 ILE 120 2.757 5.024 1.552 733 H SER 121 HN SER 121 2.809 10.571 1.837 734 HA SER 121 HA SER 121 0.380 11.864 2.544 735 1HB SER 121 HB2 SER 121 2.040 12.205 0.060 736 2HB SER 121 HB3 SER 121 0.897 13.363 0.733 737 HG SER 121 HG SER 121 2.441 14.078 1.973 738 H LEU 122 HN LEU 122 -0.920 9.856 2.268 739 HA LEU 122 HA LEU 122 -1.829 9.540 -0.495 740 1HB LEU 122 HB2 LEU 122 -1.592 7.687 1.827 741 2HB LEU 122 HB3 LEU 122 -2.754 7.354 0.558 742 HG LEU 122 HG LEU 122 0.180 7.737 0.004 743 1HD1 LEU 122 HD11 LEU 122 -0.096 5.916 1.610 744 2HD1 LEU 122 HD12 LEU 122 -1.289 5.163 0.550 745 3HD1 LEU 122 HD13 LEU 122 0.388 5.314 0.025 746 1HD2 LEU 122 HD21 LEU 122 -0.312 6.608 -2.059 747 2HD2 LEU 122 HD22 LEU 122 -1.965 6.278 -1.541 748 3HD2 LEU 122 HD23 LEU 122 -1.455 7.933 -1.869 749 H ALA 123 HN ALA 123 -4.194 8.827 -0.488 750 HA ALA 123 HA ALA 123 -6.381 9.170 0.004 751 1HB ALA 123 HB1 ALA 123 -5.437 10.119 2.713 752 2HB ALA 123 HB2 ALA 123 -7.096 9.728 2.261 753 3HB ALA 123 HB3 ALA 123 -5.871 8.460 2.302 754 H GLY 124 HN GLY 124 -6.225 10.729 -1.662 755 1HA GLY 124 HA1 GLY 124 -5.595 13.457 -1.043 756 2HA GLY 124 HA2 GLY 124 -6.195 12.839 -2.575 757 H SER 125 HN SER 125 -7.563 12.801 0.696 758 HA SER 125 HA SER 125 -9.904 14.231 -0.360 759 1HB SER 125 HB2 SER 125 -11.040 13.203 1.715 760 2HB SER 125 HB3 SER 125 -10.658 12.112 0.381 761 HG SER 125 HG SER 125 -9.007 12.519 2.658 Start of MODEL 2 1 1H GLY 30 H1 GLY 30 18.714 5.302 0.283 2 2H GLY 30 H2 GLY 30 17.097 5.047 -0.156 3 3H GLY 30 H3 GLY 30 17.616 6.594 0.292 4 1HA GLY 30 HA2 GLY 30 18.567 5.113 -2.089 5 2HA GLY 30 HA1 GLY 30 17.328 6.361 -2.116 6 H SER 31 HN SER 31 17.912 8.506 -2.005 7 HA SER 31 HA SER 31 20.816 9.013 -2.082 8 1HB SER 31 HB2 SER 31 20.314 10.681 -3.897 9 2HB SER 31 HB3 SER 31 20.033 9.000 -4.355 10 HG SER 31 HG SER 31 18.330 10.624 -4.878 11 H HIS 32 HN HIS 32 18.182 9.600 -0.324 12 HA HIS 32 HA HIS 32 17.567 11.149 1.216 13 1HB HIS 32 HB2 HIS 32 20.228 12.370 0.501 14 2HB HIS 32 HB3 HIS 32 19.140 13.112 1.666 15 HD1 HIS 32 HD1 HIS 32 19.703 12.532 3.993 16 HD2 HIS 32 HD2 HIS 32 20.736 9.490 1.348 17 HE1 HIS 32 HE1 HIS 32 20.793 10.751 5.397 18 HE2 HIS 32 HE2 HIS 32 21.551 8.996 3.749 19 H MET 33 HN MET 33 18.184 12.013 -2.018 20 HA MET 33 HA MET 33 17.035 14.632 -1.921 21 1HB MET 33 HB2 MET 33 17.546 12.798 -4.269 22 2HB MET 33 HB3 MET 33 17.093 14.494 -4.389 23 1HG MET 33 HG2 MET 33 19.156 15.178 -3.380 24 2HG MET 33 HG3 MET 33 19.592 13.505 -3.034 25 1HE MET 33 HE1 MET 33 19.353 15.268 -7.291 26 2HE MET 33 HE2 MET 33 17.926 14.915 -6.317 27 3HE MET 33 HE3 MET 33 19.035 16.197 -5.828 28 H LEU 34 HN LEU 34 15.907 11.430 -2.235 29 HA LEU 34 HA LEU 34 13.233 12.308 -3.029 30 1HB LEU 34 HB2 LEU 34 14.360 9.520 -2.808 31 2HB LEU 34 HB3 LEU 34 12.770 9.938 -3.416 32 HG LEU 34 HG LEU 34 15.377 10.737 -4.717 33 1HD1 LEU 34 HD11 LEU 34 14.776 9.094 -6.432 34 2HD1 LEU 34 HD12 LEU 34 15.003 8.333 -4.856 35 3HD1 LEU 34 HD13 LEU 34 13.376 8.612 -5.475 36 1HD2 LEU 34 HD21 LEU 34 12.521 11.016 -5.653 37 2HD2 LEU 34 HD22 LEU 34 13.574 12.332 -5.129 38 3HD2 LEU 34 HD23 LEU 34 13.958 11.421 -6.591 39 H GLU 35 HN GLU 35 14.899 10.317 -0.661 40 HA GLU 35 HA GLU 35 12.563 9.921 0.934 41 1HB GLU 35 HB2 GLU 35 15.466 9.352 1.532 42 2HB GLU 35 HB3 GLU 35 14.115 8.845 2.534 43 1HG GLU 35 HG2 GLU 35 14.493 6.949 1.350 44 2HG GLU 35 HG3 GLU 35 13.284 7.730 0.333 45 H GLN 36 HN GLN 36 15.420 11.955 1.155 46 HA GLN 36 HA GLN 36 16.027 13.666 2.491 47 1HB GLN 36 HB2 GLN 36 13.784 14.593 2.043 48 2HB GLN 36 HB3 GLN 36 13.139 13.684 3.404 49 1HG GLN 36 HG2 GLN 36 13.532 16.028 3.959 50 2HG GLN 36 HG3 GLN 36 14.511 14.939 4.940 51 1HE2 GLN 36 HE21 GLN 36 16.015 16.516 5.410 52 2HE2 GLN 36 HE22 GLN 36 17.151 17.097 4.237 53 H LYS 37 HN LYS 37 13.696 11.715 4.334 54 HA LYS 37 HA LYS 37 15.850 10.874 6.122 55 1HB LYS 37 HB2 LYS 37 13.310 12.239 6.984 56 2HB LYS 37 HB3 LYS 37 14.180 11.157 8.062 57 1HG LYS 37 HG2 LYS 37 15.328 13.632 6.788 58 2HG LYS 37 HG3 LYS 37 14.729 13.512 8.446 59 1HD LYS 37 HD2 LYS 37 16.426 11.924 9.015 60 2HD LYS 37 HD3 LYS 37 16.940 11.791 7.331 61 1HE LYS 37 HE2 LYS 37 17.139 14.262 9.054 62 2HE LYS 37 HE3 LYS 37 18.471 13.186 8.631 63 1HZ LYS 37 HZ1 LYS 37 16.885 14.875 6.781 64 2HZ LYS 37 HZ2 LYS 37 18.017 13.723 6.272 65 3HZ LYS 37 HZ3 LYS 37 18.523 15.060 7.181 66 H LYS 38 HN LYS 38 13.007 10.240 4.380 67 HA LYS 38 HA LYS 38 11.986 8.144 6.040 68 1HB LYS 38 HB2 LYS 38 10.293 7.883 4.399 69 2HB LYS 38 HB3 LYS 38 10.603 9.611 4.535 70 1HG LYS 38 HG2 LYS 38 12.262 9.027 2.528 71 2HG LYS 38 HG3 LYS 38 11.072 7.744 2.288 72 1HD LYS 38 HD2 LYS 38 10.499 10.697 2.474 73 2HD LYS 38 HD3 LYS 38 10.513 9.740 0.995 74 1HE LYS 38 HE2 LYS 38 8.622 8.456 1.762 75 2HE LYS 38 HE3 LYS 38 8.660 9.272 3.325 76 1HZ LYS 38 HZ1 LYS 38 8.182 10.627 0.728 77 2HZ LYS 38 HZ2 LYS 38 8.104 11.337 2.265 78 3HZ LYS 38 HZ3 LYS 38 6.963 10.169 1.810 79 H ALA 39 HN ALA 39 11.397 6.022 4.800 80 HA ALA 39 HA ALA 39 13.835 4.810 3.819 81 1HB ALA 39 HB1 ALA 39 11.056 3.659 4.136 82 2HB ALA 39 HB2 ALA 39 12.514 2.744 3.747 83 3HB ALA 39 HB3 ALA 39 12.363 3.540 5.315 84 H ASN 40 HN ASN 40 13.888 3.721 1.739 85 HA ASN 40 HA ASN 40 13.297 5.332 -0.415 86 1HB ASN 40 HB2 ASN 40 14.869 3.354 -0.325 87 2HB ASN 40 HB3 ASN 40 13.462 2.327 -0.517 88 1HD2 ASN 40 HD21 ASN 40 12.113 4.041 -2.451 89 2HD2 ASN 40 HD22 ASN 40 13.014 3.919 -3.922 90 H ILE 41 HN ILE 41 11.370 6.033 -0.967 91 HA ILE 41 HA ILE 41 8.956 4.556 -0.490 92 HB ILE 41 HB ILE 41 9.145 7.035 -0.286 93 1HG1 ILE 41 HG12 ILE 41 7.013 7.537 -1.621 94 2HG1 ILE 41 HG13 ILE 41 7.086 5.851 -2.130 95 1HG2 ILE 41 HG21 ILE 41 9.073 8.423 -2.292 96 2HG2 ILE 41 HG22 ILE 41 10.565 7.486 -2.194 97 3HG2 ILE 41 HG23 ILE 41 9.278 6.985 -3.292 98 1HD1 ILE 41 HD11 ILE 41 6.942 6.813 0.718 99 2HD1 ILE 41 HD12 ILE 41 5.597 6.170 -0.226 100 3HD1 ILE 41 HD13 ILE 41 6.961 5.130 0.184 101 H TYR 42 HN TYR 42 7.573 3.617 -2.061 102 HA TYR 42 HA TYR 42 8.780 3.355 -4.736 103 1HB TYR 42 HB2 TYR 42 7.244 1.211 -3.252 104 2HB TYR 42 HB3 TYR 42 7.990 1.055 -4.837 105 HD1 TYR 42 HD1 TYR 42 8.438 0.642 -1.320 106 HD2 TYR 42 HD2 TYR 42 10.537 1.294 -4.959 107 HE1 TYR 42 HE1 TYR 42 10.513 -0.149 -0.258 108 HE2 TYR 42 HE2 TYR 42 12.611 0.498 -3.912 109 HH TYR 42 HH TYR 42 12.708 -1.150 -0.995 110 H LYS 43 HN LYS 43 7.400 3.416 -6.455 111 HA LYS 43 HA LYS 43 4.540 3.813 -5.859 112 1HB LYS 43 HB2 LYS 43 5.831 5.812 -6.806 113 2HB LYS 43 HB3 LYS 43 6.027 4.879 -8.278 114 1HG LYS 43 HG2 LYS 43 3.349 5.587 -7.103 115 2HG LYS 43 HG3 LYS 43 4.182 6.576 -8.301 116 1HD LYS 43 HD2 LYS 43 4.215 4.534 -9.785 117 2HD LYS 43 HD3 LYS 43 3.145 3.765 -8.608 118 1HE LYS 43 HE2 LYS 43 1.890 4.719 -10.467 119 2HE LYS 43 HE3 LYS 43 1.490 5.499 -8.942 120 1HZ LYS 43 HZ1 LYS 43 1.706 7.172 -10.572 121 2HZ LYS 43 HZ2 LYS 43 3.190 6.575 -11.121 122 3HZ LYS 43 HZ3 LYS 43 3.077 7.291 -9.587 123 H GLY 44 HN GLY 44 3.578 1.944 -6.283 124 1HA GLY 44 HA1 GLY 44 4.209 0.561 -8.783 125 2HA GLY 44 HA2 GLY 44 4.426 -0.332 -7.282 126 H LYS 45 HN LYS 45 2.771 -1.569 -8.774 127 HA LYS 45 HA LYS 45 0.059 -0.569 -8.186 128 1HB LYS 45 HB2 LYS 45 1.035 -2.513 -10.275 129 2HB LYS 45 HB3 LYS 45 -0.667 -2.145 -9.968 130 1HG LYS 45 HG2 LYS 45 -0.403 0.102 -10.680 131 2HG LYS 45 HG3 LYS 45 1.353 -0.037 -10.724 132 1HD LYS 45 HD2 LYS 45 1.118 -1.730 -12.524 133 2HD LYS 45 HD3 LYS 45 -0.624 -1.450 -12.508 134 1HE LYS 45 HE2 LYS 45 -0.240 0.902 -13.080 135 2HE LYS 45 HE3 LYS 45 1.498 0.606 -13.116 136 1HZ LYS 45 HZ1 LYS 45 0.665 0.547 -15.337 137 2HZ LYS 45 HZ2 LYS 45 -0.548 -0.564 -14.920 138 3HZ LYS 45 HZ3 LYS 45 1.077 -1.042 -14.898 139 H ILE 46 HN ILE 46 -1.566 -2.102 -7.691 140 HA ILE 46 HA ILE 46 -0.807 -4.213 -5.939 141 HB ILE 46 HB ILE 46 -3.390 -3.213 -7.076 142 1HG1 ILE 46 HG12 ILE 46 -4.018 -3.143 -4.685 143 2HG1 ILE 46 HG13 ILE 46 -2.459 -3.838 -4.262 144 1HG2 ILE 46 HG21 ILE 46 -4.583 -5.088 -6.046 145 2HG2 ILE 46 HG22 ILE 46 -3.539 -5.604 -7.371 146 3HG2 ILE 46 HG23 ILE 46 -3.038 -5.864 -5.700 147 1HD1 ILE 46 HD11 ILE 46 -2.529 -1.432 -3.880 148 2HD1 ILE 46 HD12 ILE 46 -1.338 -1.855 -5.111 149 3HD1 ILE 46 HD13 ILE 46 -2.892 -1.169 -5.586 150 H THR 47 HN THR 47 -0.612 -6.359 -6.373 151 HA THR 47 HA THR 47 -1.019 -7.189 -9.174 152 HB THR 47 HB THR 47 1.027 -8.549 -8.971 153 HG1 THR 47 HG1 THR 47 1.199 -7.223 -6.438 154 1HG2 THR 47 HG21 THR 47 2.575 -6.648 -9.025 155 2HG2 THR 47 HG22 THR 47 1.332 -5.629 -8.297 156 3HG2 THR 47 HG23 THR 47 1.095 -6.299 -9.913 157 H ARG 48 HN ARG 48 -1.470 -7.855 -5.870 158 HA ARG 48 HA ARG 48 -3.091 -10.146 -6.526 159 1HB ARG 48 HB2 ARG 48 -0.726 -11.012 -6.093 160 2HB ARG 48 HB3 ARG 48 -0.932 -10.455 -4.437 161 1HG ARG 48 HG2 ARG 48 -3.081 -11.890 -4.462 162 2HG ARG 48 HG3 ARG 48 -2.342 -12.672 -5.859 163 1HD ARG 48 HD2 ARG 48 -0.313 -13.086 -4.442 164 2HD ARG 48 HD3 ARG 48 -1.229 -12.471 -3.065 165 HE ARG 48 HE ARG 48 -2.763 -14.477 -4.232 166 1HH1 ARG 48 HH1 ARG 48 0.336 -14.183 -2.647 167 2HH1 ARG 48 HH1 ARG 48 0.279 -15.764 -1.940 168 1HH2 ARG 48 HH2 ARG 48 -2.856 -16.561 -3.320 169 2HH2 ARG 48 HH2 ARG 48 -1.536 -17.132 -2.330 170 H ILE 49 HN ILE 49 -4.912 -9.825 -5.438 171 HA ILE 49 HA ILE 49 -4.713 -8.689 -2.734 172 HB ILE 49 HB ILE 49 -6.808 -8.032 -4.813 173 1HG1 ILE 49 HG12 ILE 49 -5.038 -6.224 -3.180 174 2HG1 ILE 49 HG13 ILE 49 -4.608 -6.781 -4.796 175 1HG2 ILE 49 HG21 ILE 49 -7.900 -8.433 -2.663 176 2HG2 ILE 49 HG22 ILE 49 -6.775 -7.321 -1.881 177 3HG2 ILE 49 HG23 ILE 49 -7.923 -6.719 -3.078 178 1HD1 ILE 49 HD11 ILE 49 -5.514 -4.616 -5.012 179 2HD1 ILE 49 HD12 ILE 49 -6.740 -5.740 -5.598 180 3HD1 ILE 49 HD13 ILE 49 -6.907 -5.018 -3.996 181 H GLU 50 HN GLU 50 -4.987 -10.369 -1.510 182 HA GLU 50 HA GLU 50 -6.933 -12.423 -2.261 183 1HB GLU 50 HB2 GLU 50 -4.637 -13.160 -1.806 184 2HB GLU 50 HB3 GLU 50 -4.712 -12.443 -0.211 185 1HG GLU 50 HG2 GLU 50 -4.977 -14.873 -0.182 186 2HG GLU 50 HG3 GLU 50 -6.370 -14.027 0.488 187 HA PRO 51 HA PRO 51 -9.661 -10.324 0.653 188 1HB PRO 51 HB2 PRO 51 -11.285 -12.724 -0.023 189 2HB PRO 51 HB3 PRO 51 -11.732 -11.015 -0.057 190 1HG PRO 51 HG2 PRO 51 -11.284 -12.347 -2.320 191 2HG PRO 51 HG3 PRO 51 -10.761 -10.662 -2.131 192 1HD PRO 51 HD2 PRO 51 -9.146 -13.175 -2.010 193 2HD PRO 51 HD3 PRO 51 -8.727 -11.596 -2.705 194 H SER 52 HN SER 52 -8.715 -13.703 0.601 195 HA SER 52 HA SER 52 -9.725 -14.521 3.071 196 1HB SER 52 HB2 SER 52 -7.168 -15.466 1.764 197 2HB SER 52 HB3 SER 52 -8.167 -16.361 2.909 198 HG SER 52 HG SER 52 -8.605 -15.798 0.193 199 H LEU 53 HN LEU 53 -6.916 -12.603 2.282 200 HA LEU 53 HA LEU 53 -6.212 -12.590 5.137 201 1HB LEU 53 HB2 LEU 53 -3.842 -12.153 4.372 202 2HB LEU 53 HB3 LEU 53 -4.462 -13.771 4.127 203 HG LEU 53 HG LEU 53 -4.901 -13.126 1.716 204 1HD1 LEU 53 HD11 LEU 53 -3.274 -10.725 2.522 205 2HD1 LEU 53 HD12 LEU 53 -3.551 -11.228 0.856 206 3HD1 LEU 53 HD13 LEU 53 -4.912 -10.741 1.867 207 1HD2 LEU 53 HD21 LEU 53 -2.054 -13.050 2.701 208 2HD2 LEU 53 HD22 LEU 53 -3.011 -14.501 2.394 209 3HD2 LEU 53 HD23 LEU 53 -2.575 -13.432 1.060 210 H GLU 54 HN GLU 54 -7.675 -10.748 2.984 211 HA GLU 54 HA GLU 54 -7.986 -8.537 2.647 212 1HB GLU 54 HB2 GLU 54 -8.348 -7.262 4.741 213 2HB GLU 54 HB3 GLU 54 -9.165 -8.814 4.712 214 1HG GLU 54 HG2 GLU 54 -7.681 -9.743 6.271 215 2HG GLU 54 HG3 GLU 54 -6.515 -8.435 6.067 216 H ALA 55 HN ALA 55 -5.670 -8.801 1.684 217 HA ALA 55 HA ALA 55 -4.415 -6.319 2.266 218 1HB ALA 55 HB1 ALA 55 -2.837 -8.827 2.777 219 2HB ALA 55 HB2 ALA 55 -2.201 -7.181 2.797 220 3HB ALA 55 HB3 ALA 55 -3.388 -7.682 4.002 221 H ALA 56 HN ALA 56 -2.609 -5.869 0.763 222 HA ALA 56 HA ALA 56 -3.039 -7.321 -1.772 223 1HB ALA 56 HB1 ALA 56 -2.744 -5.191 -2.940 224 2HB ALA 56 HB2 ALA 56 -4.118 -5.156 -1.835 225 3HB ALA 56 HB3 ALA 56 -2.607 -4.367 -1.387 226 H PHE 57 HN PHE 57 -1.353 -7.827 -2.996 227 HA PHE 57 HA PHE 57 1.335 -7.293 -1.984 228 1HB PHE 57 HB2 PHE 57 0.279 -9.149 -4.122 229 2HB PHE 57 HB3 PHE 57 1.996 -8.910 -3.826 230 HD1 PHE 57 HD1 PHE 57 3.073 -9.922 -1.947 231 HD2 PHE 57 HD2 PHE 57 -1.134 -10.271 -2.465 232 HE1 PHE 57 HE1 PHE 57 3.019 -11.703 -0.252 233 HE2 PHE 57 HE2 PHE 57 -1.197 -12.051 -0.767 234 HZ PHE 57 HZ PHE 57 0.881 -12.769 0.338 235 H VAL 58 HN VAL 58 2.656 -5.881 -2.914 236 HA VAL 58 HA VAL 58 1.879 -4.696 -5.498 237 HB VAL 58 HB VAL 58 3.426 -3.509 -3.188 238 1HG1 VAL 58 HG11 VAL 58 4.621 -2.949 -5.250 239 2HG1 VAL 58 HG12 VAL 58 3.123 -2.346 -5.957 240 3HG1 VAL 58 HG13 VAL 58 3.830 -1.531 -4.561 241 1HG2 VAL 58 HG21 VAL 58 0.937 -2.652 -4.658 242 2HG2 VAL 58 HG22 VAL 58 1.020 -3.315 -3.026 243 3HG2 VAL 58 HG23 VAL 58 1.724 -1.734 -3.375 244 H ASP 59 HN ASP 59 3.257 -4.817 -7.186 245 HA ASP 59 HA ASP 59 5.670 -6.425 -6.747 246 1HB ASP 59 HB2 ASP 59 3.980 -7.267 -8.362 247 2HB ASP 59 HB3 ASP 59 4.236 -5.809 -9.338 248 H TYR 60 HN TYR 60 7.289 -5.026 -6.277 249 HA TYR 60 HA TYR 60 7.990 -3.197 -8.469 250 1HB TYR 60 HB2 TYR 60 9.148 -1.761 -6.773 251 2HB TYR 60 HB3 TYR 60 7.407 -1.828 -6.537 252 HD1 TYR 60 HD1 TYR 60 6.533 -3.499 -4.762 253 HD2 TYR 60 HD2 TYR 60 10.588 -2.234 -4.992 254 HE1 TYR 60 HE1 TYR 60 6.863 -4.134 -2.412 255 HE2 TYR 60 HE2 TYR 60 10.924 -2.868 -2.645 256 HH TYR 60 HH TYR 60 8.687 -4.731 -0.905 257 H GLY 61 HN GLY 61 8.913 -5.376 -9.146 258 1HA GLY 61 HA1 GLY 61 10.654 -6.859 -9.384 259 2HA GLY 61 HA2 GLY 61 11.677 -5.532 -8.852 260 H ALA 62 HN ALA 62 9.150 -7.022 -6.916 261 HA ALA 62 HA ALA 62 11.218 -7.813 -4.970 262 1HB ALA 62 HB1 ALA 62 9.786 -5.954 -4.220 263 2HB ALA 62 HB2 ALA 62 8.362 -6.971 -4.439 264 3HB ALA 62 HB3 ALA 62 9.569 -7.390 -3.218 265 H GLU 63 HN GLU 63 11.185 -9.843 -4.143 266 HA GLU 63 HA GLU 63 9.564 -11.798 -5.510 267 1HB GLU 63 HB2 GLU 63 11.818 -11.924 -3.545 268 2HB GLU 63 HB3 GLU 63 10.835 -13.355 -3.832 269 1HG GLU 63 HG2 GLU 63 12.264 -11.810 -5.982 270 2HG GLU 63 HG3 GLU 63 12.892 -13.262 -5.201 271 H ARG 64 HN ARG 64 9.870 -10.636 -2.160 272 HA ARG 64 HA ARG 64 7.702 -12.305 -1.276 273 1HB ARG 64 HB2 ARG 64 9.069 -9.987 0.097 274 2HB ARG 64 HB3 ARG 64 7.872 -11.031 0.847 275 1HG ARG 64 HG2 ARG 64 10.573 -11.879 -0.178 276 2HG ARG 64 HG3 ARG 64 10.113 -11.668 1.512 277 1HD ARG 64 HD2 ARG 64 8.395 -13.439 1.206 278 2HD ARG 64 HD3 ARG 64 9.004 -13.696 -0.429 279 HE ARG 64 HE ARG 64 11.019 -13.902 1.631 280 1HH1 ARG 64 HH1 ARG 64 8.577 -15.641 -0.193 281 2HH1 ARG 64 HH1 ARG 64 9.320 -17.187 0.050 282 1HH2 ARG 64 HH2 ARG 64 11.995 -15.949 1.948 283 2HH2 ARG 64 HH2 ARG 64 11.250 -17.367 1.266 284 H HIS 65 HN HIS 65 7.995 -9.380 -2.881 285 HA HIS 65 HA HIS 65 6.552 -7.820 -3.638 286 1HB HIS 65 HB2 HIS 65 4.650 -9.946 -2.776 287 2HB HIS 65 HB3 HIS 65 4.001 -8.328 -3.027 288 HD1 HIS 65 HD1 HIS 65 2.746 -9.904 -4.947 289 HD2 HIS 65 HD2 HIS 65 6.696 -8.801 -5.588 290 HE1 HIS 65 HE1 HIS 65 3.085 -10.032 -7.421 291 HE2 HIS 65 HE2 HIS 65 5.448 -9.249 -7.813 292 H GLY 66 HN GLY 66 5.630 -5.915 -2.961 293 1HA GLY 66 HA1 GLY 66 5.924 -5.274 -0.183 294 2HA GLY 66 HA2 GLY 66 5.302 -4.205 -1.436 295 H PHE 67 HN PHE 67 4.545 -6.069 1.221 296 HA PHE 67 HA PHE 67 1.797 -6.587 0.383 297 1HB PHE 67 HB2 PHE 67 3.388 -8.298 1.494 298 2HB PHE 67 HB3 PHE 67 3.048 -7.426 2.980 299 HD1 PHE 67 HD1 PHE 67 0.676 -8.123 0.232 300 HD2 PHE 67 HD2 PHE 67 1.897 -9.041 4.203 301 HE1 PHE 67 HE1 PHE 67 -1.378 -9.434 0.557 302 HE2 PHE 67 HE2 PHE 67 -0.152 -10.354 4.534 303 HZ PHE 67 HZ PHE 67 -1.764 -10.616 2.650 304 H LEU 68 HN LEU 68 0.532 -4.875 0.651 305 HA LEU 68 HA LEU 68 0.756 -3.228 3.068 306 1HB LEU 68 HB2 LEU 68 0.228 -2.619 0.412 307 2HB LEU 68 HB3 LEU 68 -1.351 -2.553 1.163 308 HG LEU 68 HG LEU 68 1.060 -0.915 1.914 309 1HD1 LEU 68 HD11 LEU 68 -1.616 -0.172 0.747 310 2HD1 LEU 68 HD12 LEU 68 -0.339 0.957 1.201 311 3HD1 LEU 68 HD13 LEU 68 -0.078 -0.191 -0.112 312 1HD2 LEU 68 HD21 LEU 68 -0.157 -1.500 3.922 313 2HD2 LEU 68 HD22 LEU 68 -0.429 0.194 3.517 314 3HD2 LEU 68 HD23 LEU 68 -1.676 -1.004 3.174 315 HA PRO 69 HA PRO 69 -2.741 -5.609 4.658 316 1HB PRO 69 HB2 PRO 69 -2.599 -3.848 6.967 317 2HB PRO 69 HB3 PRO 69 -2.300 -5.582 6.877 318 1HG PRO 69 HG2 PRO 69 -0.359 -3.720 7.335 319 2HG PRO 69 HG3 PRO 69 -0.056 -5.308 6.606 320 1HD PRO 69 HD2 PRO 69 -0.241 -2.630 5.306 321 2HD PRO 69 HD3 PRO 69 0.770 -4.026 4.880 322 H LEU 70 HN LEU 70 -4.862 -5.201 4.607 323 HA LEU 70 HA LEU 70 -5.917 -2.901 3.443 324 1HB LEU 70 HB2 LEU 70 -7.237 -4.775 3.244 325 2HB LEU 70 HB3 LEU 70 -7.017 -5.237 4.907 326 HG LEU 70 HG LEU 70 -8.515 -3.350 5.569 327 1HD1 LEU 70 HD11 LEU 70 -8.985 -3.187 2.603 328 2HD1 LEU 70 HD12 LEU 70 -9.908 -2.337 3.843 329 3HD1 LEU 70 HD13 LEU 70 -8.201 -1.964 3.605 330 1HD2 LEU 70 HD21 LEU 70 -9.374 -5.608 5.431 331 2HD2 LEU 70 HD22 LEU 70 -10.584 -4.464 4.851 332 3HD2 LEU 70 HD23 LEU 70 -9.653 -5.421 3.699 333 H LYS 71 HN LYS 71 -5.419 -3.758 6.777 334 HA LYS 71 HA LYS 71 -7.070 -1.884 8.012 335 1HB LYS 71 HB2 LYS 71 -5.627 -2.233 9.978 336 2HB LYS 71 HB3 LYS 71 -6.024 -3.751 9.169 337 1HG LYS 71 HG2 LYS 71 -3.837 -3.731 8.066 338 2HG LYS 71 HG3 LYS 71 -3.431 -2.234 8.906 339 1HD LYS 71 HD2 LYS 71 -4.105 -4.846 10.253 340 2HD LYS 71 HD3 LYS 71 -2.469 -4.248 9.971 341 1HE LYS 71 HE2 LYS 71 -4.575 -2.810 11.567 342 2HE LYS 71 HE3 LYS 71 -3.306 -3.817 12.254 343 1HZ LYS 71 HZ1 LYS 71 -2.880 -1.358 12.224 344 2HZ LYS 71 HZ2 LYS 71 -2.716 -1.470 10.540 345 3HZ LYS 71 HZ3 LYS 71 -1.657 -2.322 11.557 346 H GLU 72 HN GLU 72 -4.144 -1.430 6.287 347 HA GLU 72 HA GLU 72 -3.583 1.147 7.556 348 1HB GLU 72 HB2 GLU 72 -2.023 -0.194 5.343 349 2HB GLU 72 HB3 GLU 72 -1.479 1.096 6.410 350 1HG GLU 72 HG2 GLU 72 -2.100 -1.723 7.263 351 2HG GLU 72 HG3 GLU 72 -0.489 -1.083 6.944 352 H ILE 73 HN ILE 73 -5.398 -0.054 5.025 353 HA ILE 73 HA ILE 73 -4.589 1.287 2.769 354 HB ILE 73 HB ILE 73 -7.256 0.231 3.591 355 1HG1 ILE 73 HG12 ILE 73 -5.091 -0.498 1.635 356 2HG1 ILE 73 HG13 ILE 73 -5.771 -1.461 2.940 357 1HG2 ILE 73 HG21 ILE 73 -6.699 1.696 1.018 358 2HG2 ILE 73 HG22 ILE 73 -8.131 0.721 1.343 359 3HG2 ILE 73 HG23 ILE 73 -7.824 2.181 2.283 360 1HD1 ILE 73 HD11 ILE 73 -6.470 -2.313 0.795 361 2HD1 ILE 73 HD12 ILE 73 -7.856 -1.669 1.674 362 3HD1 ILE 73 HD13 ILE 73 -7.136 -0.738 0.362 363 H ALA 74 HN ALA 74 -4.592 3.202 2.036 364 HA ALA 74 HA ALA 74 -5.583 5.432 3.542 365 1HB ALA 74 HB1 ALA 74 -4.476 6.754 1.817 366 2HB ALA 74 HB2 ALA 74 -3.412 5.478 2.409 367 3HB ALA 74 HB3 ALA 74 -4.223 5.298 0.851 368 H ARG 75 HN ARG 75 -7.095 6.949 2.844 369 HA ARG 75 HA ARG 75 -9.337 5.965 1.435 370 1HB ARG 75 HB2 ARG 75 -9.536 7.672 3.196 371 2HB ARG 75 HB3 ARG 75 -8.687 8.829 2.178 372 1HG ARG 75 HG2 ARG 75 -10.653 9.460 1.381 373 2HG ARG 75 HG3 ARG 75 -10.788 7.882 0.608 374 1HD ARG 75 HD2 ARG 75 -12.734 7.928 1.812 375 2HD ARG 75 HD3 ARG 75 -11.659 7.156 2.978 376 HE ARG 75 HE ARG 75 -11.441 9.343 4.058 377 1HH1 ARG 75 HH1 ARG 75 -14.141 8.820 1.897 378 2HH1 ARG 75 HH1 ARG 75 -15.076 10.147 2.526 379 1HH2 ARG 75 HH2 ARG 75 -12.683 11.060 4.930 380 2HH2 ARG 75 HH2 ARG 75 -14.244 11.423 4.241 381 H GLU 76 HN GLU 76 -6.421 7.397 0.281 382 HA GLU 76 HA GLU 76 -7.478 8.430 -2.159 383 1HB GLU 76 HB2 GLU 76 -5.214 9.005 -1.282 384 2HB GLU 76 HB3 GLU 76 -4.692 7.365 -1.645 385 1HG GLU 76 HG2 GLU 76 -3.926 8.643 -3.445 386 2HG GLU 76 HG3 GLU 76 -5.383 7.849 -4.039 387 H TYR 77 HN TYR 77 -7.050 5.301 -0.948 388 HA TYR 77 HA TYR 77 -6.598 3.992 -3.489 389 1HB TYR 77 HB2 TYR 77 -7.253 2.857 -0.760 390 2HB TYR 77 HB3 TYR 77 -6.833 1.900 -2.173 391 HD1 TYR 77 HD1 TYR 77 -4.848 4.636 -2.564 392 HD2 TYR 77 HD2 TYR 77 -5.220 1.294 0.045 393 HE1 TYR 77 HE1 TYR 77 -2.471 4.822 -1.997 394 HE2 TYR 77 HE2 TYR 77 -2.836 1.479 0.622 395 HH TYR 77 HH TYR 77 -0.775 2.406 -0.318 396 H PHE 78 HN PHE 78 -9.190 3.961 -1.059 397 HA PHE 78 HA PHE 78 -11.133 3.481 -3.202 398 1HB PHE 78 HB2 PHE 78 -12.774 3.096 -1.385 399 2HB PHE 78 HB3 PHE 78 -11.412 1.997 -1.273 400 HD1 PHE 78 HD1 PHE 78 -9.468 2.839 0.311 401 HD2 PHE 78 HD2 PHE 78 -13.516 4.119 0.542 402 HE1 PHE 78 HE1 PHE 78 -9.123 3.492 2.656 403 HE2 PHE 78 HE2 PHE 78 -13.179 4.775 2.888 404 HZ PHE 78 HZ PHE 78 -11.020 4.491 3.943 405 HA PRO 79 HA PRO 79 -11.009 7.773 -3.805 406 1HB PRO 79 HB2 PRO 79 -13.758 7.989 -4.498 407 2HB PRO 79 HB3 PRO 79 -12.377 7.835 -5.588 408 1HG PRO 79 HG2 PRO 79 -14.194 5.749 -4.516 409 2HG PRO 79 HG3 PRO 79 -13.410 5.841 -6.105 410 1HD PRO 79 HD2 PRO 79 -12.495 4.139 -4.297 411 2HD PRO 79 HD3 PRO 79 -11.338 5.113 -5.239 412 H ALA 80 HN ALA 80 -11.165 9.447 -2.592 413 HA ALA 80 HA ALA 80 -12.209 9.497 -0.035 414 1HB ALA 80 HB1 ALA 80 -10.420 10.926 -0.933 415 2HB ALA 80 HB2 ALA 80 -11.638 11.858 -1.804 416 3HB ALA 80 HB3 ALA 80 -11.645 11.833 -0.039 417 H ASN 81 HN ASN 81 -13.988 9.722 -2.881 418 HA ASN 81 HA ASN 81 -16.129 11.348 -1.820 419 1HB ASN 81 HB2 ASN 81 -15.561 11.179 -4.275 420 2HB ASN 81 HB3 ASN 81 -16.161 9.526 -4.241 421 1HD2 ASN 81 HD21 ASN 81 -16.998 12.893 -4.037 422 2HD2 ASN 81 HD22 ASN 81 -18.701 12.690 -4.288 423 H TYR 82 HN TYR 82 -15.064 8.157 -1.599 424 HA TYR 82 HA TYR 82 -17.649 7.054 -0.807 425 1HB TYR 82 HB2 TYR 82 -16.091 5.689 -2.179 426 2HB TYR 82 HB3 TYR 82 -14.886 5.801 -0.903 427 HD1 TYR 82 HD1 TYR 82 -18.161 4.358 -1.818 428 HD2 TYR 82 HD2 TYR 82 -14.978 4.379 1.008 429 HE1 TYR 82 HE1 TYR 82 -19.086 2.336 -0.768 430 HE2 TYR 82 HE2 TYR 82 -15.890 2.352 2.058 431 HH TYR 82 HH TYR 82 -18.088 1.211 2.255 432 H SER 83 HN SER 83 -18.299 7.264 1.240 433 HA SER 83 HA SER 83 -16.713 8.392 3.271 434 1HB SER 83 HB2 SER 83 -19.175 8.535 3.239 435 2HB SER 83 HB3 SER 83 -19.279 6.801 3.541 436 HG SER 83 HG SER 83 -17.803 8.441 5.296 437 H ALA 84 HN ALA 84 -15.276 7.536 4.605 438 HA ALA 84 HA ALA 84 -14.672 4.729 4.478 439 1HB ALA 84 HB1 ALA 84 -13.459 6.891 6.196 440 2HB ALA 84 HB2 ALA 84 -12.810 5.268 5.953 441 3HB ALA 84 HB3 ALA 84 -12.890 6.397 4.600 442 H HIS 85 HN HIS 85 -16.749 4.035 5.281 443 HA HIS 85 HA HIS 85 -17.486 4.551 7.997 444 1HB HIS 85 HB2 HIS 85 -19.330 2.978 7.575 445 2HB HIS 85 HB3 HIS 85 -19.222 4.200 6.321 446 HD1 HIS 85 HD1 HIS 85 -20.015 0.838 6.584 447 HD2 HIS 85 HD2 HIS 85 -17.431 2.929 4.083 448 HE1 HIS 85 HE1 HIS 85 -19.656 -0.644 4.583 449 HE2 HIS 85 HE2 HIS 85 -18.260 0.732 2.997 450 H GLY 86 HN GLY 86 -16.472 3.676 9.634 451 1HA GLY 86 HA1 GLY 86 -15.432 2.126 10.962 452 2HA GLY 86 HA2 GLY 86 -15.984 0.874 9.859 453 H ARG 87 HN ARG 87 -14.574 0.000 8.443 454 HA ARG 87 HA ARG 87 -12.080 1.413 7.875 455 1HB ARG 87 HB2 ARG 87 -10.720 -0.538 8.218 456 2HB ARG 87 HB3 ARG 87 -11.639 -0.259 9.687 457 1HG ARG 87 HG2 ARG 87 -13.137 -2.057 9.163 458 2HG ARG 87 HG3 ARG 87 -12.398 -2.264 7.573 459 1HD ARG 87 HD2 ARG 87 -10.244 -2.781 8.730 460 2HD ARG 87 HD3 ARG 87 -11.122 -2.755 10.258 461 HE ARG 87 HE ARG 87 -12.517 -4.601 9.196 462 1HH1 ARG 87 HH1 ARG 87 -9.149 -4.044 8.441 463 2HH1 ARG 87 HH1 ARG 87 -8.820 -5.700 8.015 464 1HH2 ARG 87 HH2 ARG 87 -12.106 -6.787 8.625 465 2HH2 ARG 87 HH2 ARG 87 -10.509 -7.264 8.123 466 HA PRO 88 HA PRO 88 -12.947 0.292 3.693 467 1HB PRO 88 HB2 PRO 88 -10.301 -0.324 2.934 468 2HB PRO 88 HB3 PRO 88 -11.122 1.227 2.758 469 1HG PRO 88 HG2 PRO 88 -9.119 0.370 4.728 470 2HG PRO 88 HG3 PRO 88 -9.560 2.009 4.212 471 1HD PRO 88 HD2 PRO 88 -10.227 0.891 6.638 472 2HD PRO 88 HD3 PRO 88 -11.094 2.233 5.868 473 H ASN 89 HN ASN 89 -12.884 -1.463 2.196 474 HA ASN 89 HA ASN 89 -12.064 -4.060 3.318 475 1HB ASN 89 HB2 ASN 89 -13.965 -4.924 1.723 476 2HB ASN 89 HB3 ASN 89 -14.379 -4.286 3.310 477 1HD2 ASN 89 HD21 ASN 89 -14.477 -3.747 -0.110 478 2HD2 ASN 89 HD22 ASN 89 -15.581 -2.415 -0.079 479 H ILE 90 HN ILE 90 -10.308 -4.726 2.254 480 HA ILE 90 HA ILE 90 -9.252 -3.145 0.235 481 HB ILE 90 HB ILE 90 -7.864 -4.381 1.816 482 1HG1 ILE 90 HG12 ILE 90 -7.115 -5.258 -0.958 483 2HG1 ILE 90 HG13 ILE 90 -7.115 -3.556 -0.502 484 1HG2 ILE 90 HG21 ILE 90 -7.343 -6.746 1.470 485 2HG2 ILE 90 HG22 ILE 90 -9.050 -6.516 1.852 486 3HG2 ILE 90 HG23 ILE 90 -8.552 -6.831 0.187 487 1HD1 ILE 90 HD11 ILE 90 -5.514 -4.045 1.274 488 2HD1 ILE 90 HD12 ILE 90 -5.504 -5.741 0.783 489 3HD1 ILE 90 HD13 ILE 90 -4.907 -4.501 -0.319 490 H LYS 91 HN LYS 91 -10.697 -6.372 -0.090 491 HA LYS 91 HA LYS 91 -9.941 -6.758 -2.757 492 1HB LYS 91 HB2 LYS 91 -11.645 -8.496 -2.821 493 2HB LYS 91 HB3 LYS 91 -10.726 -8.565 -1.324 494 1HG LYS 91 HG2 LYS 91 -12.549 -7.408 -0.164 495 2HG LYS 91 HG3 LYS 91 -13.479 -7.397 -1.665 496 1HD LYS 91 HD2 LYS 91 -13.171 -9.930 -1.668 497 2HD LYS 91 HD3 LYS 91 -12.632 -9.748 0.003 498 1HE LYS 91 HE2 LYS 91 -14.990 -10.300 -0.059 499 2HE LYS 91 HE3 LYS 91 -14.766 -8.663 0.556 500 1HZ LYS 91 HZ1 LYS 91 -15.428 -9.272 -2.271 501 2HZ LYS 91 HZ2 LYS 91 -15.437 -7.752 -1.515 502 3HZ LYS 91 HZ3 LYS 91 -16.591 -8.921 -1.091 503 H ASP 92 HN ASP 92 -12.247 -4.610 -1.476 504 HA ASP 92 HA ASP 92 -13.340 -4.185 -4.181 505 1HB ASP 92 HB2 ASP 92 -14.779 -3.685 -1.563 506 2HB ASP 92 HB3 ASP 92 -15.430 -3.399 -3.173 507 H VAL 93 HN VAL 93 -11.034 -3.100 -2.571 508 HA VAL 93 HA VAL 93 -11.724 -0.240 -2.749 509 HB VAL 93 HB VAL 93 -10.020 -1.699 -0.742 510 1HG1 VAL 93 HG11 VAL 93 -9.825 1.229 -1.441 511 2HG1 VAL 93 HG12 VAL 93 -9.168 0.505 0.026 512 3HG1 VAL 93 HG13 VAL 93 -8.550 0.019 -1.552 513 1HG2 VAL 93 HG21 VAL 93 -12.324 -1.302 -0.134 514 2HG2 VAL 93 HG22 VAL 93 -11.273 -0.280 0.845 515 3HG2 VAL 93 HG23 VAL 93 -12.163 0.412 -0.513 516 H LEU 94 HN LEU 94 -9.051 -2.569 -2.847 517 HA LEU 94 HA LEU 94 -7.667 -0.851 -4.777 518 1HB LEU 94 HB2 LEU 94 -6.725 -3.241 -3.191 519 2HB LEU 94 HB3 LEU 94 -5.755 -2.422 -4.395 520 HG LEU 94 HG LEU 94 -6.788 -1.138 -1.865 521 1HD1 LEU 94 HD11 LEU 94 -4.458 -1.265 -1.110 522 2HD1 LEU 94 HD12 LEU 94 -5.153 -2.867 -1.362 523 3HD1 LEU 94 HD13 LEU 94 -4.046 -2.191 -2.555 524 1HD2 LEU 94 HD21 LEU 94 -5.165 0.621 -2.453 525 2HD2 LEU 94 HD22 LEU 94 -4.859 -0.203 -3.984 526 3HD2 LEU 94 HD23 LEU 94 -6.458 0.458 -3.642 527 H ARG 95 HN ARG 95 -6.649 -1.971 -6.602 528 HA ARG 95 HA ARG 95 -7.631 -4.605 -7.273 529 1HB ARG 95 HB2 ARG 95 -8.466 -3.951 -9.494 530 2HB ARG 95 HB3 ARG 95 -9.414 -3.242 -8.197 531 1HG ARG 95 HG2 ARG 95 -7.194 -1.674 -9.408 532 2HG ARG 95 HG3 ARG 95 -8.725 -1.826 -10.274 533 1HD ARG 95 HD2 ARG 95 -8.419 -0.823 -7.445 534 2HD ARG 95 HD3 ARG 95 -8.584 0.206 -8.866 535 HE ARG 95 HE ARG 95 -10.709 -1.725 -8.516 536 1HH1 ARG 95 HH1 ARG 95 -9.579 1.536 -7.862 537 2HH1 ARG 95 HH1 ARG 95 -11.176 2.161 -7.558 538 1HH2 ARG 95 HH2 ARG 95 -12.798 -0.908 -8.094 539 2HH2 ARG 95 HH2 ARG 95 -13.006 0.769 -7.698 540 H GLU 96 HN GLU 96 -6.459 -5.573 -8.971 541 HA GLU 96 HA GLU 96 -3.718 -4.974 -8.934 542 1HB GLU 96 HB2 GLU 96 -5.216 -6.711 -10.901 543 2HB GLU 96 HB3 GLU 96 -3.502 -6.805 -10.506 544 1HG GLU 96 HG2 GLU 96 -3.935 -7.648 -8.358 545 2HG GLU 96 HG3 GLU 96 -5.640 -7.205 -8.439 546 H GLY 97 HN GLY 97 -2.653 -3.482 -10.008 547 1HA GLY 97 HA1 GLY 97 -2.102 -2.438 -12.134 548 2HA GLY 97 HA2 GLY 97 -3.815 -2.469 -12.523 549 H GLN 98 HN GLN 98 -4.081 -1.681 -9.481 550 HA GLN 98 HA GLN 98 -4.079 1.176 -10.003 551 1HB GLN 98 HB2 GLN 98 -5.934 -0.076 -8.760 552 2HB GLN 98 HB3 GLN 98 -4.810 -0.173 -7.410 553 1HG GLN 98 HG2 GLN 98 -4.793 2.138 -7.089 554 2HG GLN 98 HG3 GLN 98 -5.496 2.452 -8.675 555 1HE2 GLN 98 HE21 GLN 98 -6.134 1.354 -5.431 556 2HE2 GLN 98 HE22 GLN 98 -7.846 1.592 -5.476 557 H GLU 99 HN GLU 99 -2.767 2.650 -9.047 558 HA GLU 99 HA GLU 99 -0.241 1.616 -8.083 559 1HB GLU 99 HB2 GLU 99 0.547 3.912 -8.335 560 2HB GLU 99 HB3 GLU 99 -0.267 3.364 -9.805 561 1HG GLU 99 HG2 GLU 99 -2.321 4.504 -9.014 562 2HG GLU 99 HG3 GLU 99 -1.393 5.142 -7.660 563 H VAL 100 HN VAL 100 0.819 2.364 -6.239 564 HA VAL 100 HA VAL 100 -0.652 4.029 -4.338 565 HB VAL 100 HB VAL 100 -0.040 2.627 -2.439 566 1HG1 VAL 100 HG11 VAL 100 -2.221 2.253 -3.411 567 2HG1 VAL 100 HG12 VAL 100 -1.545 1.080 -4.545 568 3HG1 VAL 100 HG13 VAL 100 -1.552 0.734 -2.814 569 1HG2 VAL 100 HG21 VAL 100 0.896 0.388 -2.749 570 2HG2 VAL 100 HG22 VAL 100 1.028 0.685 -4.483 571 3HG2 VAL 100 HG23 VAL 100 1.989 1.642 -3.348 572 H ILE 101 HN ILE 101 0.745 5.137 -2.857 573 HA ILE 101 HA ILE 101 3.595 5.093 -3.579 574 HB ILE 101 HB ILE 101 2.374 7.096 -1.702 575 1HG1 ILE 101 HG12 ILE 101 0.918 7.096 -3.688 576 2HG1 ILE 101 HG13 ILE 101 1.857 8.577 -3.577 577 1HG2 ILE 101 HG21 ILE 101 4.153 8.525 -2.629 578 2HG2 ILE 101 HG22 ILE 101 4.780 7.042 -1.911 579 3HG2 ILE 101 HG23 ILE 101 4.659 7.188 -3.664 580 1HD1 ILE 101 HD11 ILE 101 1.736 7.766 -5.859 581 2HD1 ILE 101 HD12 ILE 101 3.397 7.728 -5.264 582 3HD1 ILE 101 HD13 ILE 101 2.460 6.236 -5.363 583 H VAL 102 HN VAL 102 4.774 3.773 -2.280 584 HA VAL 102 HA VAL 102 4.039 3.542 0.552 585 HB VAL 102 HB VAL 102 4.212 0.997 0.274 586 1HG1 VAL 102 HG11 VAL 102 2.139 2.133 0.854 587 2HG1 VAL 102 HG12 VAL 102 1.831 2.472 -0.849 588 3HG1 VAL 102 HG13 VAL 102 1.824 0.807 -0.267 589 1HG2 VAL 102 HG21 VAL 102 3.473 0.177 -1.957 590 2HG2 VAL 102 HG22 VAL 102 3.671 1.813 -2.585 591 3HG2 VAL 102 HG23 VAL 102 5.070 0.922 -1.980 592 H GLN 103 HN GLN 103 5.716 3.247 1.848 593 HA GLN 103 HA GLN 103 8.257 2.352 0.657 594 1HB GLN 103 HB2 GLN 103 9.351 3.510 2.600 595 2HB GLN 103 HB3 GLN 103 8.529 4.596 1.486 596 1HG GLN 103 HG2 GLN 103 6.667 4.807 2.990 597 2HG GLN 103 HG3 GLN 103 7.355 3.596 4.069 598 1HE2 GLN 103 HE21 GLN 103 9.029 4.147 5.413 599 2HE2 GLN 103 HE22 GLN 103 9.476 5.788 5.719 600 H ILE 104 HN ILE 104 9.474 0.821 1.839 601 HA ILE 104 HA ILE 104 7.838 -1.047 3.264 602 HB ILE 104 HB ILE 104 10.783 -1.054 2.611 603 1HG1 ILE 104 HG12 ILE 104 9.400 -1.375 0.682 604 2HG1 ILE 104 HG13 ILE 104 10.056 -2.942 1.136 605 1HG2 ILE 104 HG21 ILE 104 10.842 -3.372 3.367 606 2HG2 ILE 104 HG22 ILE 104 10.438 -2.281 4.694 607 3HG2 ILE 104 HG23 ILE 104 9.173 -3.239 3.924 608 1HD1 ILE 104 HD11 ILE 104 7.697 -3.054 0.481 609 2HD1 ILE 104 HD12 ILE 104 7.956 -3.563 2.151 610 3HD1 ILE 104 HD13 ILE 104 7.294 -1.966 1.810 611 H ASP 105 HN ASP 105 7.184 -0.471 5.166 612 HA ASP 105 HA ASP 105 8.861 0.971 7.023 613 1HB ASP 105 HB2 ASP 105 6.427 1.449 6.757 614 2HB ASP 105 HB3 ASP 105 6.076 -0.147 7.410 615 H LYS 106 HN LYS 106 7.526 -2.252 6.610 616 HA LYS 106 HA LYS 106 9.317 -3.161 8.758 617 1HB LYS 106 HB2 LYS 106 6.821 -4.485 7.676 618 2HB LYS 106 HB3 LYS 106 7.944 -5.272 8.761 619 1HG LYS 106 HG2 LYS 106 6.181 -4.546 10.112 620 2HG LYS 106 HG3 LYS 106 7.480 -3.389 10.390 621 1HD LYS 106 HD2 LYS 106 6.412 -1.781 8.931 622 2HD LYS 106 HD3 LYS 106 5.156 -2.950 8.505 623 1HE LYS 106 HE2 LYS 106 4.374 -2.978 10.807 624 2HE LYS 106 HE3 LYS 106 5.677 -1.895 11.288 625 1HZ LYS 106 HZ1 LYS 106 3.674 -0.642 11.040 626 2HZ LYS 106 HZ2 LYS 106 3.406 -1.252 9.484 627 3HZ LYS 106 HZ3 LYS 106 4.721 -0.215 9.776 628 H GLU 107 HN GLU 107 11.009 -4.369 8.133 629 HA GLU 107 HA GLU 107 11.645 -4.105 5.388 630 1HB GLU 107 HB2 GLU 107 13.185 -5.419 7.623 631 2HB GLU 107 HB3 GLU 107 13.830 -4.874 6.089 632 1HG GLU 107 HG2 GLU 107 13.375 -2.576 6.650 633 2HG GLU 107 HG3 GLU 107 12.589 -3.075 8.149 634 H GLU 108 HN GLU 108 12.196 -5.610 3.902 635 HA GLU 108 HA GLU 108 10.779 -8.056 3.897 636 1HB GLU 108 HB2 GLU 108 11.363 -6.749 1.871 637 2HB GLU 108 HB3 GLU 108 13.054 -7.153 2.120 638 1HG GLU 108 HG2 GLU 108 12.558 -9.506 1.791 639 2HG GLU 108 HG3 GLU 108 10.846 -9.128 1.591 640 H ARG 109 HN ARG 109 11.384 -9.246 5.647 641 HA ARG 109 HA ARG 109 14.170 -10.209 5.752 642 1HB ARG 109 HB2 ARG 109 12.116 -10.177 7.971 643 2HB ARG 109 HB3 ARG 109 13.810 -10.610 8.117 644 1HG ARG 109 HG2 ARG 109 14.522 -8.429 7.994 645 2HG ARG 109 HG3 ARG 109 13.058 -7.895 7.163 646 1HD ARG 109 HD2 ARG 109 11.761 -8.122 9.162 647 2HD ARG 109 HD3 ARG 109 13.114 -8.868 10.015 648 HE ARG 109 HE ARG 109 13.826 -6.294 9.075 649 1HH1 ARG 109 HH1 ARG 109 11.993 -7.915 11.579 650 2HH1 ARG 109 HH1 ARG 109 12.107 -6.600 12.702 651 1HH2 ARG 109 HH2 ARG 109 13.968 -4.546 10.528 652 2HH2 ARG 109 HH2 ARG 109 13.224 -4.673 12.104 653 H GLY 110 HN GLY 110 10.908 -11.189 6.685 654 1HA GLY 110 HA1 GLY 110 10.385 -13.451 5.418 655 2HA GLY 110 HA2 GLY 110 11.647 -13.993 6.523 656 H ASN 111 HN ASN 111 10.735 -11.933 8.510 657 HA ASN 111 HA ASN 111 8.939 -13.467 10.026 658 1HB ASN 111 HB2 ASN 111 10.391 -11.795 11.046 659 2HB ASN 111 HB3 ASN 111 9.591 -10.509 10.150 660 1HD2 ASN 111 HD21 ASN 111 9.462 -12.605 12.877 661 2HD2 ASN 111 HD22 ASN 111 8.063 -11.900 13.615 662 H LYS 112 HN LYS 112 8.372 -10.467 8.185 663 HA LYS 112 HA LYS 112 5.663 -11.445 7.680 664 1HB LYS 112 HB2 LYS 112 6.542 -8.596 8.142 665 2HB LYS 112 HB3 LYS 112 4.989 -9.022 7.439 666 1HG LYS 112 HG2 LYS 112 5.952 -9.822 10.180 667 2HG LYS 112 HG3 LYS 112 4.805 -8.530 9.825 668 1HD LYS 112 HD2 LYS 112 4.400 -11.452 9.173 669 2HD LYS 112 HD3 LYS 112 3.691 -10.609 10.551 670 1HE LYS 112 HE2 LYS 112 2.486 -9.127 9.043 671 2HE LYS 112 HE3 LYS 112 3.235 -9.905 7.651 672 1HZ LYS 112 HZ1 LYS 112 1.472 -11.291 9.603 673 2HZ LYS 112 HZ2 LYS 112 2.098 -11.936 8.162 674 3HZ LYS 112 HZ3 LYS 112 0.959 -10.681 8.102 675 H GLY 113 HN GLY 113 8.425 -9.650 6.556 676 1HA GLY 113 HA1 GLY 113 9.292 -10.240 4.350 677 2HA GLY 113 HA2 GLY 113 7.621 -10.251 3.791 678 H ALA 114 HN ALA 114 8.123 -8.702 2.232 679 HA ALA 114 HA ALA 114 9.100 -6.108 2.994 680 1HB ALA 114 HB1 ALA 114 8.661 -5.516 0.642 681 2HB ALA 114 HB2 ALA 114 9.653 -6.964 0.809 682 3HB ALA 114 HB3 ALA 114 7.945 -7.112 0.397 683 H ALA 115 HN ALA 115 7.646 -5.272 4.487 684 HA ALA 115 HA ALA 115 4.810 -5.280 3.789 685 1HB ALA 115 HB1 ALA 115 5.968 -4.246 6.344 686 2HB ALA 115 HB2 ALA 115 4.339 -4.836 6.038 687 3HB ALA 115 HB3 ALA 115 5.696 -5.968 6.077 688 H LEU 116 HN LEU 116 3.680 -3.531 3.255 689 HA LEU 116 HA LEU 116 5.172 -1.072 2.786 690 1HB LEU 116 HB2 LEU 116 2.316 -1.753 2.086 691 2HB LEU 116 HB3 LEU 116 3.218 -0.363 1.525 692 HG LEU 116 HG LEU 116 3.858 -3.227 0.830 693 1HD1 LEU 116 HD11 LEU 116 1.773 -2.597 -0.170 694 2HD1 LEU 116 HD12 LEU 116 2.450 -1.063 -0.715 695 3HD1 LEU 116 HD13 LEU 116 3.027 -2.577 -1.411 696 1HD2 LEU 116 HD21 LEU 116 5.385 -2.292 -0.789 697 2HD2 LEU 116 HD22 LEU 116 4.940 -0.654 -0.307 698 3HD2 LEU 116 HD23 LEU 116 5.796 -1.702 0.819 699 H THR 117 HN THR 117 4.338 0.973 3.448 700 HA THR 117 HA THR 117 2.591 0.858 5.815 701 HB THR 117 HB THR 117 4.959 1.619 6.243 702 HG1 THR 117 HG1 THR 117 4.152 2.878 7.766 703 1HG2 THR 117 HG21 THR 117 5.342 2.798 4.145 704 2HG2 THR 117 HG22 THR 117 5.580 3.879 5.519 705 3HG2 THR 117 HG23 THR 117 4.098 3.975 4.566 706 H THR 118 HN THR 118 1.365 2.950 6.119 707 HA THR 118 HA THR 118 0.870 4.299 3.564 708 HB THR 118 HB THR 118 -1.485 4.703 4.462 709 HG1 THR 118 HG1 THR 118 -2.169 3.008 5.933 710 1HG2 THR 118 HG21 THR 118 -2.275 2.528 3.619 711 2HG2 THR 118 HG22 THR 118 -0.627 1.908 3.714 712 3HG2 THR 118 HG23 THR 118 -1.014 3.213 2.596 713 H PHE 119 HN PHE 119 2.615 4.833 5.915 714 HA PHE 119 HA PHE 119 1.607 7.285 7.044 715 1HB PHE 119 HB2 PHE 119 3.304 5.749 8.148 716 2HB PHE 119 HB3 PHE 119 4.479 6.329 6.975 717 HD1 PHE 119 HD1 PHE 119 1.978 7.777 9.341 718 HD2 PHE 119 HD2 PHE 119 5.899 7.971 7.705 719 HE1 PHE 119 HE1 PHE 119 2.496 9.673 10.818 720 HE2 PHE 119 HE2 PHE 119 6.425 9.870 9.177 721 HZ PHE 119 HZ PHE 119 4.721 10.725 10.737 722 H ILE 120 HN ILE 120 1.207 7.439 4.459 723 HA ILE 120 HA ILE 120 3.213 9.316 3.411 724 HB ILE 120 HB ILE 120 1.652 7.296 1.763 725 1HG1 ILE 120 HG12 ILE 120 4.387 6.763 1.512 726 2HG1 ILE 120 HG13 ILE 120 4.131 7.006 3.236 727 1HG2 ILE 120 HG21 ILE 120 2.198 9.294 0.510 728 2HG2 ILE 120 HG22 ILE 120 3.890 9.159 0.995 729 3HG2 ILE 120 HG23 ILE 120 3.173 7.934 -0.049 730 1HD1 ILE 120 HD11 ILE 120 2.367 5.300 3.197 731 2HD1 ILE 120 HD12 ILE 120 2.664 5.049 1.475 732 3HD1 ILE 120 HD13 ILE 120 3.920 4.663 2.654 733 H SER 121 HN SER 121 2.172 10.794 1.758 734 HA SER 121 HA SER 121 -0.230 11.895 2.845 735 1HB SER 121 HB2 SER 121 1.213 12.602 0.298 736 2HB SER 121 HB3 SER 121 0.070 13.618 1.178 737 HG SER 121 HG SER 121 1.717 13.171 3.000 738 H LEU 122 HN LEU 122 -1.070 9.519 2.225 739 HA LEU 122 HA LEU 122 -2.504 9.708 -0.341 740 1HB LEU 122 HB2 LEU 122 -1.268 7.462 1.171 741 2HB LEU 122 HB3 LEU 122 -2.671 7.128 0.176 742 HG LEU 122 HG LEU 122 -0.242 8.467 -0.978 743 1HD1 LEU 122 HD11 LEU 122 0.583 6.260 -1.599 744 2HD1 LEU 122 HD12 LEU 122 0.503 6.427 0.156 745 3HD1 LEU 122 HD13 LEU 122 -0.734 5.504 -0.698 746 1HD2 LEU 122 HD21 LEU 122 -2.350 8.400 -2.285 747 2HD2 LEU 122 HD22 LEU 122 -1.043 7.486 -3.039 748 3HD2 LEU 122 HD23 LEU 122 -2.326 6.637 -2.176 749 H ALA 123 HN ALA 123 -4.471 10.498 0.210 750 HA ALA 123 HA ALA 123 -6.512 8.903 0.851 751 1HB ALA 123 HB1 ALA 123 -5.702 10.213 3.455 752 2HB ALA 123 HB2 ALA 123 -7.178 9.288 3.165 753 3HB ALA 123 HB3 ALA 123 -5.609 8.486 3.095 754 H GLY 124 HN GLY 124 -8.388 10.320 2.092 755 1HA GLY 124 HA1 GLY 124 -8.209 13.126 1.437 756 2HA GLY 124 HA2 GLY 124 -9.302 12.201 0.413 757 H SER 125 HN SER 125 -10.212 14.279 2.041 758 HA SER 125 HA SER 125 -12.107 12.799 3.651 759 1HB SER 125 HB2 SER 125 -11.659 14.508 5.574 760 2HB SER 125 HB3 SER 125 -10.606 13.103 5.408 761 HG SER 125 HG SER 125 -10.075 15.798 4.982 Start of MODEL 3 1 1H GLY 30 H1 GLY 30 13.087 16.402 -6.214 2 2H GLY 30 H2 GLY 30 14.602 17.142 -6.071 3 3H GLY 30 H3 GLY 30 13.296 18.002 -6.724 4 1HA GLY 30 HA2 GLY 30 13.642 18.746 -4.491 5 2HA GLY 30 HA1 GLY 30 12.141 17.832 -4.571 6 H SER 31 HN SER 31 14.534 18.361 -2.587 7 HA SER 31 HA SER 31 15.893 16.044 -2.017 8 1HB SER 31 HB2 SER 31 14.880 18.070 -0.017 9 2HB SER 31 HB3 SER 31 16.208 16.938 0.240 10 HG SER 31 HG SER 31 16.159 19.323 -1.124 11 H HIS 32 HN HIS 32 13.126 17.040 0.052 12 HA HIS 32 HA HIS 32 12.983 14.408 1.134 13 1HB HIS 32 HB2 HIS 32 11.275 15.193 2.560 14 2HB HIS 32 HB3 HIS 32 12.334 16.574 2.322 15 HD1 HIS 32 HD1 HIS 32 11.355 18.631 1.162 16 HD2 HIS 32 HD2 HIS 32 8.713 15.427 1.365 17 HE1 HIS 32 HE1 HIS 32 9.105 19.560 0.514 18 HE2 HIS 32 HE2 HIS 32 7.494 17.637 0.805 19 H MET 33 HN MET 33 11.664 15.823 -1.655 20 HA MET 33 HA MET 33 9.273 14.354 -1.879 21 1HB MET 33 HB2 MET 33 11.047 15.646 -3.931 22 2HB MET 33 HB3 MET 33 9.578 14.789 -4.378 23 1HG MET 33 HG2 MET 33 9.721 17.148 -2.517 24 2HG MET 33 HG3 MET 33 9.237 17.205 -4.213 25 1HE MET 33 HE1 MET 33 6.955 18.416 -3.536 26 2HE MET 33 HE2 MET 33 5.847 17.790 -2.315 27 3HE MET 33 HE3 MET 33 7.442 18.374 -1.841 28 H LEU 34 HN LEU 34 12.558 13.657 -2.811 29 HA LEU 34 HA LEU 34 11.843 11.173 -4.069 30 1HB LEU 34 HB2 LEU 34 14.397 12.605 -3.564 31 2HB LEU 34 HB3 LEU 34 14.466 10.875 -3.838 32 HG LEU 34 HG LEU 34 14.889 12.110 -5.893 33 1HD1 LEU 34 HD11 LEU 34 13.800 9.922 -6.022 34 2HD1 LEU 34 HD12 LEU 34 12.222 10.707 -5.970 35 3HD1 LEU 34 HD13 LEU 34 13.302 10.985 -7.338 36 1HD2 LEU 34 HD21 LEU 34 13.155 13.436 -6.967 37 2HD2 LEU 34 HD22 LEU 34 12.098 13.206 -5.572 38 3HD2 LEU 34 HD23 LEU 34 13.595 14.123 -5.402 39 H GLU 35 HN GLU 35 14.507 11.220 -1.825 40 HA GLU 35 HA GLU 35 13.078 9.420 -0.017 41 1HB GLU 35 HB2 GLU 35 14.962 7.783 -0.154 42 2HB GLU 35 HB3 GLU 35 14.009 7.904 -1.630 43 1HG GLU 35 HG2 GLU 35 15.686 9.237 -2.679 44 2HG GLU 35 HG3 GLU 35 16.599 9.357 -1.177 45 H GLN 36 HN GLN 36 14.560 12.142 -0.055 46 HA GLN 36 HA GLN 36 16.838 11.905 1.597 47 1HB GLN 36 HB2 GLN 36 16.240 13.942 0.285 48 2HB GLN 36 HB3 GLN 36 14.915 14.222 1.410 49 1HG GLN 36 HG2 GLN 36 16.780 15.640 1.963 50 2HG GLN 36 HG3 GLN 36 16.522 14.453 3.241 51 1HE2 GLN 36 HE21 GLN 36 18.048 13.710 0.181 52 2HE2 GLN 36 HE22 GLN 36 19.626 13.432 0.825 53 H LYS 37 HN LYS 37 16.809 10.983 3.532 54 HA LYS 37 HA LYS 37 16.302 10.563 5.714 55 1HB LYS 37 HB2 LYS 37 16.117 13.109 5.733 56 2HB LYS 37 HB3 LYS 37 14.380 12.889 5.588 57 1HG LYS 37 HG2 LYS 37 14.413 11.589 7.682 58 2HG LYS 37 HG3 LYS 37 16.132 11.946 7.837 59 1HD LYS 37 HD2 LYS 37 15.587 14.363 7.812 60 2HD LYS 37 HD3 LYS 37 13.873 13.942 7.795 61 1HE LYS 37 HE2 LYS 37 14.533 14.457 10.048 62 2HE LYS 37 HE3 LYS 37 14.202 12.729 9.931 63 1HZ LYS 37 HZ1 LYS 37 16.585 12.326 9.753 64 2HZ LYS 37 HZ2 LYS 37 16.219 13.155 11.188 65 3HZ LYS 37 HZ3 LYS 37 16.895 13.989 9.872 66 H LYS 38 HN LYS 38 14.791 9.536 3.416 67 HA LYS 38 HA LYS 38 12.212 8.897 4.694 68 1HB LYS 38 HB2 LYS 38 11.825 10.315 2.799 69 2HB LYS 38 HB3 LYS 38 12.923 9.381 1.798 70 1HG LYS 38 HG2 LYS 38 11.357 7.469 1.918 71 2HG LYS 38 HG3 LYS 38 10.237 8.491 2.833 72 1HD LYS 38 HD2 LYS 38 11.296 9.208 0.104 73 2HD LYS 38 HD3 LYS 38 9.780 8.337 0.361 74 1HE LYS 38 HE2 LYS 38 8.918 10.215 1.664 75 2HE LYS 38 HE3 LYS 38 10.440 11.077 1.438 76 1HZ LYS 38 HZ1 LYS 38 8.709 11.813 -0.109 77 2HZ LYS 38 HZ2 LYS 38 8.616 10.251 -0.751 78 3HZ LYS 38 HZ3 LYS 38 10.036 11.147 -0.926 79 H ALA 39 HN ALA 39 11.486 6.781 4.531 80 HA ALA 39 HA ALA 39 13.351 4.684 4.101 81 1HB ALA 39 HB1 ALA 39 10.338 4.584 4.243 82 2HB ALA 39 HB2 ALA 39 11.422 3.197 4.345 83 3HB ALA 39 HB3 ALA 39 11.445 4.429 5.607 84 H ASN 40 HN ASN 40 12.570 2.837 2.540 85 HA ASN 40 HA ASN 40 13.050 3.806 -0.071 86 1HB ASN 40 HB2 ASN 40 12.118 1.109 0.881 87 2HB ASN 40 HB3 ASN 40 12.664 1.441 -0.757 88 1HD2 ASN 40 HD21 ASN 40 13.585 0.945 2.530 89 2HD2 ASN 40 HD22 ASN 40 15.293 0.875 2.270 90 H ILE 41 HN ILE 41 11.412 5.234 -0.649 91 HA ILE 41 HA ILE 41 8.645 4.459 -0.591 92 HB ILE 41 HB ILE 41 9.357 6.821 -0.338 93 1HG1 ILE 41 HG12 ILE 41 7.723 7.801 -1.986 94 2HG1 ILE 41 HG13 ILE 41 7.577 6.197 -2.698 95 1HG2 ILE 41 HG21 ILE 41 10.081 8.102 -2.291 96 2HG2 ILE 41 HG22 ILE 41 11.228 6.826 -1.888 97 3HG2 ILE 41 HG23 ILE 41 10.121 6.619 -3.245 98 1HD1 ILE 41 HD11 ILE 41 6.727 5.326 -0.599 99 2HD1 ILE 41 HD12 ILE 41 6.919 6.914 0.149 100 3HD1 ILE 41 HD13 ILE 41 5.753 6.688 -1.156 101 H TYR 42 HN TYR 42 7.419 3.632 -2.250 102 HA TYR 42 HA TYR 42 8.649 3.486 -4.907 103 1HB TYR 42 HB2 TYR 42 7.408 1.148 -3.440 104 2HB TYR 42 HB3 TYR 42 7.850 1.141 -5.141 105 HD1 TYR 42 HD1 TYR 42 8.973 0.560 -1.799 106 HD2 TYR 42 HD2 TYR 42 10.312 1.528 -5.720 107 HE1 TYR 42 HE1 TYR 42 11.245 -0.169 -1.199 108 HE2 TYR 42 HE2 TYR 42 12.583 0.798 -5.132 109 HH TYR 42 HH TYR 42 13.291 -0.965 -2.320 110 H LYS 43 HN LYS 43 7.287 3.828 -6.518 111 HA LYS 43 HA LYS 43 4.405 3.957 -5.927 112 1HB LYS 43 HB2 LYS 43 5.612 5.978 -6.892 113 2HB LYS 43 HB3 LYS 43 5.891 5.033 -8.344 114 1HG LYS 43 HG2 LYS 43 3.146 5.619 -7.265 115 2HG LYS 43 HG3 LYS 43 3.979 6.660 -8.416 116 1HD LYS 43 HD2 LYS 43 4.218 4.483 -9.816 117 2HD LYS 43 HD3 LYS 43 2.907 3.891 -8.790 118 1HE LYS 43 HE2 LYS 43 1.981 4.834 -10.802 119 2HE LYS 43 HE3 LYS 43 1.562 5.852 -9.426 120 1HZ LYS 43 HZ1 LYS 43 2.238 7.237 -11.232 121 2HZ LYS 43 HZ2 LYS 43 3.677 6.371 -11.444 122 3HZ LYS 43 HZ3 LYS 43 3.449 7.307 -10.048 123 H GLY 44 HN GLY 44 3.516 2.046 -6.295 124 1HA GLY 44 HA1 GLY 44 4.268 0.602 -8.744 125 2HA GLY 44 HA2 GLY 44 4.346 -0.231 -7.196 126 H LYS 45 HN LYS 45 2.814 -1.540 -8.684 127 HA LYS 45 HA LYS 45 0.069 -0.541 -8.322 128 1HB LYS 45 HB2 LYS 45 1.160 -2.477 -10.367 129 2HB LYS 45 HB3 LYS 45 -0.550 -2.077 -10.161 130 1HG LYS 45 HG2 LYS 45 -0.302 0.038 -11.020 131 2HG LYS 45 HG3 LYS 45 1.412 0.127 -10.623 132 1HD LYS 45 HD2 LYS 45 1.812 -1.622 -12.380 133 2HD LYS 45 HD3 LYS 45 0.118 -1.443 -12.845 134 1HE LYS 45 HE2 LYS 45 0.475 0.898 -13.339 135 2HE LYS 45 HE3 LYS 45 2.143 0.780 -12.789 136 1HZ LYS 45 HZ1 LYS 45 0.971 -0.596 -15.141 137 2HZ LYS 45 HZ2 LYS 45 2.555 -0.814 -14.584 138 3HZ LYS 45 HZ3 LYS 45 2.062 0.702 -15.170 139 H ILE 46 HN ILE 46 -1.519 -2.039 -7.802 140 HA ILE 46 HA ILE 46 -0.780 -4.093 -5.995 141 HB ILE 46 HB ILE 46 -3.299 -3.047 -7.154 142 1HG1 ILE 46 HG12 ILE 46 -3.969 -3.095 -4.785 143 2HG1 ILE 46 HG13 ILE 46 -2.460 -3.905 -4.379 144 1HG2 ILE 46 HG21 ILE 46 -3.134 -5.793 -5.928 145 2HG2 ILE 46 HG22 ILE 46 -4.613 -4.931 -6.348 146 3HG2 ILE 46 HG23 ILE 46 -3.496 -5.430 -7.616 147 1HD1 ILE 46 HD11 ILE 46 -1.213 -1.939 -5.126 148 2HD1 ILE 46 HD12 ILE 46 -2.731 -1.133 -5.522 149 3HD1 ILE 46 HD13 ILE 46 -2.360 -1.540 -3.846 150 H THR 47 HN THR 47 -0.618 -6.266 -6.296 151 HA THR 47 HA THR 47 -1.076 -7.254 -9.037 152 HB THR 47 HB THR 47 0.942 -8.687 -8.737 153 HG1 THR 47 HG1 THR 47 1.215 -7.059 -6.399 154 1HG2 THR 47 HG21 THR 47 2.536 -6.851 -9.091 155 2HG2 THR 47 HG22 THR 47 1.345 -5.711 -8.457 156 3HG2 THR 47 HG23 THR 47 1.026 -6.570 -9.964 157 H ARG 48 HN ARG 48 -1.329 -7.804 -5.637 158 HA ARG 48 HA ARG 48 -2.965 -10.149 -6.161 159 1HB ARG 48 HB2 ARG 48 -0.867 -11.171 -5.712 160 2HB ARG 48 HB3 ARG 48 -0.548 -10.089 -4.385 161 1HG ARG 48 HG2 ARG 48 -2.292 -11.125 -3.062 162 2HG ARG 48 HG3 ARG 48 -2.722 -12.170 -4.418 163 1HD ARG 48 HD2 ARG 48 -0.007 -12.127 -3.111 164 2HD ARG 48 HD3 ARG 48 -1.297 -13.250 -2.669 165 HE ARG 48 HE ARG 48 -0.930 -13.441 -5.423 166 1HH1 ARG 48 HH1 ARG 48 0.805 -14.164 -2.467 167 2HH1 ARG 48 HH1 ARG 48 1.801 -15.387 -3.201 168 1HH2 ARG 48 HH2 ARG 48 0.330 -15.060 -6.383 169 2HH2 ARG 48 HH2 ARG 48 1.521 -15.911 -5.437 170 H ILE 49 HN ILE 49 -4.799 -9.963 -5.088 171 HA ILE 49 HA ILE 49 -4.808 -8.747 -2.420 172 HB ILE 49 HB ILE 49 -6.865 -8.035 -4.520 173 1HG1 ILE 49 HG12 ILE 49 -4.867 -6.144 -3.313 174 2HG1 ILE 49 HG13 ILE 49 -4.528 -6.996 -4.817 175 1HG2 ILE 49 HG21 ILE 49 -7.614 -6.420 -2.824 176 2HG2 ILE 49 HG22 ILE 49 -7.737 -8.089 -2.259 177 3HG2 ILE 49 HG23 ILE 49 -6.411 -7.062 -1.706 178 1HD1 ILE 49 HD11 ILE 49 -6.744 -5.053 -4.266 179 2HD1 ILE 49 HD12 ILE 49 -5.366 -4.851 -5.355 180 3HD1 ILE 49 HD13 ILE 49 -6.630 -6.025 -5.733 181 H GLU 50 HN GLU 50 -5.579 -10.310 -1.164 182 HA GLU 50 HA GLU 50 -7.697 -12.035 -2.276 183 1HB GLU 50 HB2 GLU 50 -5.127 -12.706 -1.154 184 2HB GLU 50 HB3 GLU 50 -6.414 -13.441 -0.208 185 1HG GLU 50 HG2 GLU 50 -5.470 -14.812 -2.109 186 2HG GLU 50 HG3 GLU 50 -7.224 -14.651 -2.046 187 HA PRO 51 HA PRO 51 -10.095 -10.408 1.049 188 1HB PRO 51 HB2 PRO 51 -12.010 -12.551 0.645 189 2HB PRO 51 HB3 PRO 51 -12.164 -10.843 0.235 190 1HG PRO 51 HG2 PRO 51 -11.942 -12.863 -1.612 191 2HG PRO 51 HG3 PRO 51 -11.504 -11.175 -1.916 192 1HD PRO 51 HD2 PRO 51 -9.757 -13.514 -1.357 193 2HD PRO 51 HD3 PRO 51 -9.458 -12.098 -2.380 194 H SER 52 HN SER 52 -9.078 -13.708 0.816 195 HA SER 52 HA SER 52 -9.965 -14.552 3.382 196 1HB SER 52 HB2 SER 52 -8.039 -16.320 2.804 197 2HB SER 52 HB3 SER 52 -9.626 -16.368 2.028 198 HG SER 52 HG SER 52 -7.178 -15.878 0.942 199 H LEU 53 HN LEU 53 -7.364 -12.610 2.324 200 HA LEU 53 HA LEU 53 -6.222 -12.775 5.021 201 1HB LEU 53 HB2 LEU 53 -3.996 -12.186 3.962 202 2HB LEU 53 HB3 LEU 53 -4.570 -13.823 3.741 203 HG LEU 53 HG LEU 53 -5.433 -12.983 1.446 204 1HD1 LEU 53 HD11 LEU 53 -3.384 -10.860 2.052 205 2HD1 LEU 53 HD12 LEU 53 -4.156 -11.141 0.491 206 3HD1 LEU 53 HD13 LEU 53 -5.118 -10.599 1.868 207 1HD2 LEU 53 HD21 LEU 53 -3.231 -13.402 0.434 208 2HD2 LEU 53 HD22 LEU 53 -2.491 -13.267 2.030 209 3HD2 LEU 53 HD23 LEU 53 -3.627 -14.573 1.693 210 H GLU 54 HN GLU 54 -7.722 -10.823 2.732 211 HA GLU 54 HA GLU 54 -8.002 -8.617 2.466 212 1HB GLU 54 HB2 GLU 54 -8.412 -7.427 4.720 213 2HB GLU 54 HB3 GLU 54 -9.486 -8.715 4.210 214 1HG GLU 54 HG2 GLU 54 -8.188 -10.260 5.681 215 2HG GLU 54 HG3 GLU 54 -7.312 -8.852 6.284 216 H ALA 55 HN ALA 55 -5.768 -8.734 1.662 217 HA ALA 55 HA ALA 55 -4.492 -6.335 2.382 218 1HB ALA 55 HB1 ALA 55 -2.329 -7.205 3.064 219 2HB ALA 55 HB2 ALA 55 -3.588 -7.742 4.177 220 3HB ALA 55 HB3 ALA 55 -2.949 -8.854 2.967 221 H ALA 56 HN ALA 56 -2.395 -6.114 0.984 222 HA ALA 56 HA ALA 56 -2.831 -7.555 -1.544 223 1HB ALA 56 HB1 ALA 56 -4.109 -5.468 -1.603 224 2HB ALA 56 HB2 ALA 56 -2.627 -4.561 -1.302 225 3HB ALA 56 HB3 ALA 56 -2.807 -5.487 -2.793 226 H PHE 57 HN PHE 57 -1.066 -7.924 -2.758 227 HA PHE 57 HA PHE 57 1.508 -6.917 -1.791 228 1HB PHE 57 HB2 PHE 57 0.779 -9.086 -3.731 229 2HB PHE 57 HB3 PHE 57 2.398 -8.431 -3.679 230 HD1 PHE 57 HD1 PHE 57 3.713 -8.636 -1.554 231 HD2 PHE 57 HD2 PHE 57 0.063 -10.717 -2.213 232 HE1 PHE 57 HE1 PHE 57 4.311 -10.235 0.219 233 HE2 PHE 57 HE2 PHE 57 0.648 -12.317 -0.436 234 HZ PHE 57 HZ PHE 57 2.777 -12.076 0.784 235 H VAL 58 HN VAL 58 2.630 -5.463 -2.812 236 HA VAL 58 HA VAL 58 1.708 -4.489 -5.434 237 HB VAL 58 HB VAL 58 3.273 -3.084 -3.254 238 1HG1 VAL 58 HG11 VAL 58 2.642 -2.066 -6.022 239 2HG1 VAL 58 HG12 VAL 58 3.407 -1.148 -4.725 240 3HG1 VAL 58 HG13 VAL 58 4.239 -2.529 -5.438 241 1HG2 VAL 58 HG21 VAL 58 0.624 -2.487 -4.563 242 2HG2 VAL 58 HG22 VAL 58 0.865 -3.116 -2.932 243 3HG2 VAL 58 HG23 VAL 58 1.414 -1.490 -3.343 244 H ASP 59 HN ASP 59 2.969 -4.833 -7.139 245 HA ASP 59 HA ASP 59 5.651 -5.902 -6.674 246 1HB ASP 59 HB2 ASP 59 3.918 -7.075 -8.154 247 2HB ASP 59 HB3 ASP 59 4.201 -5.766 -9.314 248 H TYR 60 HN TYR 60 7.132 -4.361 -6.546 249 HA TYR 60 HA TYR 60 7.167 -2.296 -8.644 250 1HB TYR 60 HB2 TYR 60 8.368 -0.870 -6.893 251 2HB TYR 60 HB3 TYR 60 6.652 -1.141 -6.610 252 HD1 TYR 60 HD1 TYR 60 5.913 -2.614 -4.781 253 HD2 TYR 60 HD2 TYR 60 10.038 -1.812 -5.419 254 HE1 TYR 60 HE1 TYR 60 6.416 -3.446 -2.527 255 HE2 TYR 60 HE2 TYR 60 10.552 -2.644 -3.168 256 HH TYR 60 HH TYR 60 9.376 -2.912 -0.999 257 H GLY 61 HN GLY 61 8.380 -4.219 -9.619 258 1HA GLY 61 HA1 GLY 61 10.317 -5.352 -10.136 259 2HA GLY 61 HA2 GLY 61 11.144 -3.875 -9.653 260 H ALA 62 HN ALA 62 9.147 -5.910 -7.591 261 HA ALA 62 HA ALA 62 11.518 -6.408 -5.911 262 1HB ALA 62 HB1 ALA 62 8.661 -5.998 -4.998 263 2HB ALA 62 HB2 ALA 62 10.042 -6.327 -3.946 264 3HB ALA 62 HB3 ALA 62 9.964 -4.818 -4.860 265 H GLU 63 HN GLU 63 12.086 -8.455 -6.024 266 HA GLU 63 HA GLU 63 10.403 -10.606 -6.776 267 1HB GLU 63 HB2 GLU 63 12.686 -11.224 -4.984 268 2HB GLU 63 HB3 GLU 63 12.244 -11.946 -6.522 269 1HG GLU 63 HG2 GLU 63 14.273 -10.921 -6.962 270 2HG GLU 63 HG3 GLU 63 13.091 -9.758 -7.561 271 H ARG 64 HN ARG 64 11.065 -8.985 -3.831 272 HA ARG 64 HA ARG 64 9.902 -10.980 -2.094 273 1HB ARG 64 HB2 ARG 64 10.528 -8.110 -1.408 274 2HB ARG 64 HB3 ARG 64 10.462 -9.494 -0.325 275 1HG ARG 64 HG2 ARG 64 12.502 -10.358 -1.157 276 2HG ARG 64 HG3 ARG 64 12.503 -9.231 -2.516 277 1HD ARG 64 HD2 ARG 64 12.837 -8.554 0.402 278 2HD ARG 64 HD3 ARG 64 14.080 -8.492 -0.846 279 HE ARG 64 HE ARG 64 11.814 -6.644 -0.555 280 1HH1 ARG 64 HH1 ARG 64 14.813 -7.527 -2.132 281 2HH1 ARG 64 HH1 ARG 64 15.095 -5.932 -2.764 282 1HH2 ARG 64 HH2 ARG 64 12.191 -4.540 -1.388 283 2HH2 ARG 64 HH2 ARG 64 13.609 -4.237 -2.347 284 H HIS 65 HN HIS 65 8.765 -8.633 -4.179 285 HA HIS 65 HA HIS 65 6.861 -7.449 -4.465 286 1HB HIS 65 HB2 HIS 65 6.048 -9.888 -3.062 287 2HB HIS 65 HB3 HIS 65 4.917 -8.555 -2.829 288 HD1 HIS 65 HD1 HIS 65 3.297 -10.123 -4.322 289 HD2 HIS 65 HD2 HIS 65 6.578 -8.468 -6.253 290 HE1 HIS 65 HE1 HIS 65 2.714 -10.112 -6.763 291 HE2 HIS 65 HE2 HIS 65 4.742 -9.168 -7.926 292 H GLY 66 HN GLY 66 4.822 -6.725 -2.641 293 1HA GLY 66 HA1 GLY 66 6.070 -5.859 -0.169 294 2HA GLY 66 HA2 GLY 66 5.577 -4.560 -1.253 295 H PHE 67 HN PHE 67 4.586 -6.124 1.381 296 HA PHE 67 HA PHE 67 1.850 -6.617 0.435 297 1HB PHE 67 HB2 PHE 67 3.319 -8.411 1.538 298 2HB PHE 67 HB3 PHE 67 3.026 -7.541 3.027 299 HD1 PHE 67 HD1 PHE 67 0.767 -8.406 0.192 300 HD2 PHE 67 HD2 PHE 67 1.627 -8.835 4.344 301 HE1 PHE 67 HE1 PHE 67 -1.355 -9.609 0.508 302 HE2 PHE 67 HE2 PHE 67 -0.488 -10.040 4.656 303 HZ PHE 67 HZ PHE 67 -1.895 -10.584 2.700 304 H LEU 68 HN LEU 68 0.521 -5.026 0.783 305 HA LEU 68 HA LEU 68 0.797 -3.307 3.139 306 1HB LEU 68 HB2 LEU 68 0.220 -2.765 0.480 307 2HB LEU 68 HB3 LEU 68 -1.349 -2.689 1.253 308 HG LEU 68 HG LEU 68 1.068 -1.038 1.964 309 1HD1 LEU 68 HD11 LEU 68 -0.313 0.827 1.194 310 2HD1 LEU 68 HD12 LEU 68 -0.031 -0.345 -0.093 311 3HD1 LEU 68 HD13 LEU 68 -1.587 -0.305 0.736 312 1HD2 LEU 68 HD21 LEU 68 -0.184 -1.571 3.967 313 2HD2 LEU 68 HD22 LEU 68 -0.427 0.117 3.520 314 3HD2 LEU 68 HD23 LEU 68 -1.688 -1.073 3.187 315 HA PRO 69 HA PRO 69 -2.605 -5.729 4.940 316 1HB PRO 69 HB2 PRO 69 -2.277 -3.710 7.075 317 2HB PRO 69 HB3 PRO 69 -2.228 -5.472 7.182 318 1HG PRO 69 HG2 PRO 69 -0.003 -4.010 7.423 319 2HG PRO 69 HG3 PRO 69 0.010 -5.577 6.592 320 1HD PRO 69 HD2 PRO 69 -0.020 -2.813 5.427 321 2HD PRO 69 HD3 PRO 69 0.906 -4.241 4.915 322 H LEU 70 HN LEU 70 -4.771 -5.342 5.062 323 HA LEU 70 HA LEU 70 -5.777 -3.084 3.705 324 1HB LEU 70 HB2 LEU 70 -6.964 -5.083 3.450 325 2HB LEU 70 HB3 LEU 70 -7.070 -5.343 5.174 326 HG LEU 70 HG LEU 70 -8.653 -3.473 5.363 327 1HD1 LEU 70 HD11 LEU 70 -9.604 -2.478 3.326 328 2HD1 LEU 70 HD12 LEU 70 -7.888 -2.112 3.508 329 3HD1 LEU 70 HD13 LEU 70 -8.408 -3.344 2.360 330 1HD2 LEU 70 HD21 LEU 70 -10.536 -4.569 4.244 331 2HD2 LEU 70 HD22 LEU 70 -9.408 -5.547 3.304 332 3HD2 LEU 70 HD23 LEU 70 -9.494 -5.734 5.056 333 H LYS 71 HN LYS 71 -5.273 -3.772 7.055 334 HA LYS 71 HA LYS 71 -7.080 -1.799 8.044 335 1HB LYS 71 HB2 LYS 71 -5.956 -2.169 10.206 336 2HB LYS 71 HB3 LYS 71 -6.411 -3.679 9.434 337 1HG LYS 71 HG2 LYS 71 -4.085 -3.934 8.647 338 2HG LYS 71 HG3 LYS 71 -3.654 -2.473 9.539 339 1HD LYS 71 HD2 LYS 71 -4.498 -3.594 11.610 340 2HD LYS 71 HD3 LYS 71 -4.692 -5.069 10.662 341 1HE LYS 71 HE2 LYS 71 -2.607 -5.226 11.786 342 2HE LYS 71 HE3 LYS 71 -2.262 -4.909 10.086 343 1HZ LYS 71 HZ1 LYS 71 -1.999 -2.528 10.684 344 2HZ LYS 71 HZ2 LYS 71 -0.858 -3.546 11.429 345 3HZ LYS 71 HZ3 LYS 71 -2.173 -2.957 12.322 346 H GLU 72 HN GLU 72 -4.128 -1.578 6.475 347 HA GLU 72 HA GLU 72 -3.451 1.004 7.694 348 1HB GLU 72 HB2 GLU 72 -1.920 -0.391 5.499 349 2HB GLU 72 HB3 GLU 72 -1.344 0.852 6.604 350 1HG GLU 72 HG2 GLU 72 -2.052 -1.971 7.365 351 2HG GLU 72 HG3 GLU 72 -0.424 -1.361 7.089 352 H ILE 73 HN ILE 73 -5.219 -0.283 5.151 353 HA ILE 73 HA ILE 73 -4.405 0.993 2.867 354 HB ILE 73 HB ILE 73 -7.033 -0.104 3.741 355 1HG1 ILE 73 HG12 ILE 73 -5.112 -1.514 2.946 356 2HG1 ILE 73 HG13 ILE 73 -6.599 -1.731 2.034 357 1HG2 ILE 73 HG21 ILE 73 -8.005 0.351 1.539 358 2HG2 ILE 73 HG22 ILE 73 -7.686 1.834 2.436 359 3HG2 ILE 73 HG23 ILE 73 -6.604 1.342 1.132 360 1HD1 ILE 73 HD11 ILE 73 -5.707 -0.287 0.280 361 2HD1 ILE 73 HD12 ILE 73 -4.213 -0.105 1.203 362 3HD1 ILE 73 HD13 ILE 73 -4.676 -1.687 0.579 363 H ALA 74 HN ALA 74 -4.619 2.849 1.913 364 HA ALA 74 HA ALA 74 -5.497 5.128 3.473 365 1HB ALA 74 HB1 ALA 74 -4.267 6.437 1.893 366 2HB ALA 74 HB2 ALA 74 -3.286 5.038 2.330 367 3HB ALA 74 HB3 ALA 74 -4.134 5.068 0.785 368 H ARG 75 HN ARG 75 -6.878 6.719 2.710 369 HA ARG 75 HA ARG 75 -9.236 5.849 1.414 370 1HB ARG 75 HB2 ARG 75 -8.953 7.682 3.159 371 2HB ARG 75 HB3 ARG 75 -8.368 8.715 1.868 372 1HG ARG 75 HG2 ARG 75 -11.057 7.398 1.724 373 2HG ARG 75 HG3 ARG 75 -10.814 8.922 2.570 374 1HD ARG 75 HD2 ARG 75 -10.129 8.419 -0.311 375 2HD ARG 75 HD3 ARG 75 -11.610 9.185 0.254 376 HE ARG 75 HE ARG 75 -10.086 10.929 1.236 377 1HH1 ARG 75 HH1 ARG 75 -9.141 9.001 -1.525 378 2HH1 ARG 75 HH1 ARG 75 -8.145 10.244 -2.234 379 1HH2 ARG 75 HH2 ARG 75 -8.828 12.602 0.287 380 2HH2 ARG 75 HH2 ARG 75 -7.945 12.294 -1.181 381 H GLU 76 HN GLU 76 -6.284 7.244 0.141 382 HA GLU 76 HA GLU 76 -7.442 8.173 -2.305 383 1HB GLU 76 HB2 GLU 76 -5.184 8.869 -1.296 384 2HB GLU 76 HB3 GLU 76 -4.556 7.373 -1.980 385 1HG GLU 76 HG2 GLU 76 -4.076 9.026 -3.575 386 2HG GLU 76 HG3 GLU 76 -5.484 8.168 -4.202 387 H TYR 77 HN TYR 77 -6.793 5.124 -1.093 388 HA TYR 77 HA TYR 77 -6.108 3.855 -3.616 389 1HB TYR 77 HB2 TYR 77 -6.736 2.673 -0.901 390 2HB TYR 77 HB3 TYR 77 -6.202 1.755 -2.303 391 HD1 TYR 77 HD1 TYR 77 -4.326 4.303 -3.018 392 HD2 TYR 77 HD2 TYR 77 -4.748 1.659 0.286 393 HE1 TYR 77 HE1 TYR 77 -1.986 4.715 -2.397 394 HE2 TYR 77 HE2 TYR 77 -2.405 2.064 0.911 395 HH TYR 77 HH TYR 77 -0.313 2.815 -0.151 396 H PHE 78 HN PHE 78 -8.788 3.588 -1.291 397 HA PHE 78 HA PHE 78 -10.544 2.866 -3.509 398 1HB PHE 78 HB2 PHE 78 -12.254 2.433 -1.785 399 2HB PHE 78 HB3 PHE 78 -10.800 1.492 -1.505 400 HD1 PHE 78 HD1 PHE 78 -9.086 2.582 0.190 401 HD2 PHE 78 HD2 PHE 78 -13.228 3.530 -0.031 402 HE1 PHE 78 HE1 PHE 78 -9.022 3.383 2.513 403 HE2 PHE 78 HE2 PHE 78 -13.167 4.340 2.290 404 HZ PHE 78 HZ PHE 78 -11.062 4.263 3.563 405 HA PRO 79 HA PRO 79 -10.700 7.126 -4.338 406 1HB PRO 79 HB2 PRO 79 -13.339 7.027 -5.374 407 2HB PRO 79 HB3 PRO 79 -11.826 6.948 -6.275 408 1HG PRO 79 HG2 PRO 79 -13.585 4.754 -5.328 409 2HG PRO 79 HG3 PRO 79 -12.596 4.842 -6.800 410 1HD PRO 79 HD2 PRO 79 -11.819 3.331 -4.756 411 2HD PRO 79 HD3 PRO 79 -10.626 4.312 -5.639 412 H ALA 80 HN ALA 80 -11.181 8.813 -3.208 413 HA ALA 80 HA ALA 80 -12.517 8.946 -0.850 414 1HB ALA 80 HB1 ALA 80 -12.612 11.368 -1.173 415 2HB ALA 80 HB2 ALA 80 -11.061 10.675 -1.652 416 3HB ALA 80 HB3 ALA 80 -12.236 11.138 -2.884 417 H ASN 81 HN ASN 81 -14.083 8.766 -3.926 418 HA ASN 81 HA ASN 81 -16.583 9.883 -2.991 419 1HB ASN 81 HB2 ASN 81 -15.815 8.471 -5.549 420 2HB ASN 81 HB3 ASN 81 -17.447 9.046 -5.214 421 1HD2 ASN 81 HD21 ASN 81 -17.842 11.255 -5.122 422 2HD2 ASN 81 HD22 ASN 81 -16.737 12.407 -5.795 423 H TYR 82 HN TYR 82 -14.993 6.988 -2.627 424 HA TYR 82 HA TYR 82 -17.347 5.315 -2.391 425 1HB TYR 82 HB2 TYR 82 -15.131 4.418 -3.135 426 2HB TYR 82 HB3 TYR 82 -14.484 4.765 -1.533 427 HD1 TYR 82 HD1 TYR 82 -17.053 2.749 -3.329 428 HD2 TYR 82 HD2 TYR 82 -14.734 3.209 0.207 429 HE1 TYR 82 HE1 TYR 82 -17.804 0.539 -2.555 430 HE2 TYR 82 HE2 TYR 82 -15.477 1.001 0.988 431 HH TYR 82 HH TYR 82 -17.283 -0.567 0.647 432 H SER 83 HN SER 83 -18.210 4.586 -0.427 433 HA SER 83 HA SER 83 -18.047 6.543 1.659 434 1HB SER 83 HB2 SER 83 -19.764 4.801 2.678 435 2HB SER 83 HB3 SER 83 -20.226 5.877 1.358 436 HG SER 83 HG SER 83 -20.610 4.160 0.231 437 H ALA 84 HN ALA 84 -16.191 6.428 2.822 438 HA ALA 84 HA ALA 84 -15.148 3.920 3.794 439 1HB ALA 84 HB1 ALA 84 -14.344 6.746 4.487 440 2HB ALA 84 HB2 ALA 84 -13.453 5.281 4.904 441 3HB ALA 84 HB3 ALA 84 -13.632 5.756 3.214 442 H HIS 85 HN HIS 85 -15.854 2.910 5.534 443 HA HIS 85 HA HIS 85 -16.891 4.461 7.779 444 1HB HIS 85 HB2 HIS 85 -18.775 2.772 8.030 445 2HB HIS 85 HB3 HIS 85 -18.938 3.919 6.708 446 HD1 HIS 85 HD1 HIS 85 -18.936 2.985 4.322 447 HD2 HIS 85 HD2 HIS 85 -18.372 0.076 7.239 448 HE1 HIS 85 HE1 HIS 85 -19.206 0.778 3.141 449 HE2 HIS 85 HE2 HIS 85 -18.774 -0.972 4.907 450 H GLY 86 HN GLY 86 -15.434 3.974 9.281 451 1HA GLY 86 HA1 GLY 86 -14.477 2.674 10.937 452 2HA GLY 86 HA2 GLY 86 -15.319 1.277 10.280 453 H ARG 87 HN ARG 87 -14.398 0.200 8.435 454 HA ARG 87 HA ARG 87 -11.577 0.791 7.950 455 1HB ARG 87 HB2 ARG 87 -10.945 -1.560 8.267 456 2HB ARG 87 HB3 ARG 87 -11.569 -0.855 9.747 457 1HG ARG 87 HG2 ARG 87 -12.758 -2.743 9.874 458 2HG ARG 87 HG3 ARG 87 -13.822 -1.951 8.713 459 1HD ARG 87 HD2 ARG 87 -13.293 -4.207 7.981 460 2HD ARG 87 HD3 ARG 87 -12.601 -3.022 6.873 461 HE ARG 87 HE ARG 87 -10.512 -3.434 8.395 462 1HH1 ARG 87 HH1 ARG 87 -12.802 -5.811 7.219 463 2HH1 ARG 87 HH1 ARG 87 -11.642 -7.107 7.226 464 1HH2 ARG 87 HH2 ARG 87 -8.991 -5.147 8.408 465 2HH2 ARG 87 HH2 ARG 87 -9.480 -6.738 7.903 466 HA PRO 88 HA PRO 88 -12.816 0.125 3.729 467 1HB PRO 88 HB2 PRO 88 -10.239 -0.446 2.842 468 2HB PRO 88 HB3 PRO 88 -10.952 1.167 2.954 469 1HG PRO 88 HG2 PRO 88 -9.109 -0.240 4.831 470 2HG PRO 88 HG3 PRO 88 -9.160 1.475 4.378 471 1HD PRO 88 HD2 PRO 88 -10.110 0.621 6.728 472 2HD PRO 88 HD3 PRO 88 -10.897 1.937 5.822 473 H ASN 89 HN ASN 89 -13.112 -1.569 2.311 474 HA ASN 89 HA ASN 89 -12.193 -4.233 3.159 475 1HB ASN 89 HB2 ASN 89 -14.620 -4.063 2.922 476 2HB ASN 89 HB3 ASN 89 -14.441 -3.408 1.300 477 1HD2 ASN 89 HD21 ASN 89 -13.927 -4.777 -0.394 478 2HD2 ASN 89 HD22 ASN 89 -14.006 -6.502 -0.261 479 H ILE 90 HN ILE 90 -10.449 -4.964 2.070 480 HA ILE 90 HA ILE 90 -9.239 -3.234 0.215 481 HB ILE 90 HB ILE 90 -7.973 -4.628 1.809 482 1HG1 ILE 90 HG12 ILE 90 -6.982 -5.358 -0.905 483 2HG1 ILE 90 HG13 ILE 90 -7.134 -3.658 -0.492 484 1HG2 ILE 90 HG21 ILE 90 -8.598 -6.900 -0.076 485 2HG2 ILE 90 HG22 ILE 90 -7.472 -6.958 1.279 486 3HG2 ILE 90 HG23 ILE 90 -9.196 -6.729 1.573 487 1HD1 ILE 90 HD11 ILE 90 -5.545 -5.687 1.048 488 2HD1 ILE 90 HD12 ILE 90 -4.885 -4.529 -0.108 489 3HD1 ILE 90 HD13 ILE 90 -5.641 -3.957 1.380 490 H LYS 91 HN LYS 91 -10.894 -6.330 -0.263 491 HA LYS 91 HA LYS 91 -10.365 -6.506 -3.032 492 1HB LYS 91 HB2 LYS 91 -12.626 -7.592 -1.370 493 2HB LYS 91 HB3 LYS 91 -12.366 -8.008 -3.061 494 1HG LYS 91 HG2 LYS 91 -10.394 -8.450 -0.838 495 2HG LYS 91 HG3 LYS 91 -11.454 -9.680 -1.519 496 1HD LYS 91 HD2 LYS 91 -9.385 -8.129 -3.074 497 2HD LYS 91 HD3 LYS 91 -9.146 -9.750 -2.426 498 1HE LYS 91 HE2 LYS 91 -10.918 -10.610 -3.828 499 2HE LYS 91 HE3 LYS 91 -11.282 -8.989 -4.417 500 1HZ LYS 91 HZ1 LYS 91 -9.267 -8.890 -5.584 501 2HZ LYS 91 HZ2 LYS 91 -9.861 -10.450 -5.892 502 3HZ LYS 91 HZ3 LYS 91 -8.614 -10.223 -4.767 503 H ASP 92 HN ASP 92 -12.170 -4.201 -1.418 504 HA ASP 92 HA ASP 92 -13.408 -3.406 -3.971 505 1HB ASP 92 HB2 ASP 92 -14.571 -3.316 -1.209 506 2HB ASP 92 HB3 ASP 92 -15.034 -2.084 -2.377 507 H VAL 93 HN VAL 93 -10.820 -2.902 -2.654 508 HA VAL 93 HA VAL 93 -10.947 0.047 -2.527 509 HB VAL 93 HB VAL 93 -9.164 -1.842 -0.975 510 1HG1 VAL 93 HG11 VAL 93 -7.777 -0.053 -1.844 511 2HG1 VAL 93 HG12 VAL 93 -8.928 1.149 -1.265 512 3HG1 VAL 93 HG13 VAL 93 -8.026 0.167 -0.112 513 1HG2 VAL 93 HG21 VAL 93 -11.334 -1.406 0.039 514 2HG2 VAL 93 HG22 VAL 93 -10.040 -0.660 0.977 515 3HG2 VAL 93 HG23 VAL 93 -11.053 0.330 -0.071 516 H LEU 94 HN LEU 94 -8.819 -2.709 -3.124 517 HA LEU 94 HA LEU 94 -7.317 -1.043 -5.019 518 1HB LEU 94 HB2 LEU 94 -6.456 -3.493 -3.482 519 2HB LEU 94 HB3 LEU 94 -5.467 -2.645 -4.653 520 HG LEU 94 HG LEU 94 -6.483 -1.437 -2.082 521 1HD1 LEU 94 HD11 LEU 94 -4.115 -1.631 -1.368 522 2HD1 LEU 94 HD12 LEU 94 -4.919 -3.187 -1.573 523 3HD1 LEU 94 HD13 LEU 94 -3.802 -2.606 -2.804 524 1HD2 LEU 94 HD21 LEU 94 -6.095 0.225 -3.792 525 2HD2 LEU 94 HD22 LEU 94 -4.815 0.307 -2.582 526 3HD2 LEU 94 HD23 LEU 94 -4.509 -0.460 -4.141 527 H ARG 95 HN ARG 95 -6.534 -2.048 -6.905 528 HA ARG 95 HA ARG 95 -7.469 -4.693 -7.601 529 1HB ARG 95 HB2 ARG 95 -8.349 -3.908 -9.821 530 2HB ARG 95 HB3 ARG 95 -9.339 -3.470 -8.439 531 1HG ARG 95 HG2 ARG 95 -7.330 -1.510 -9.429 532 2HG ARG 95 HG3 ARG 95 -8.814 -1.752 -10.352 533 1HD ARG 95 HD2 ARG 95 -8.681 -1.044 -7.418 534 2HD ARG 95 HD3 ARG 95 -8.997 0.097 -8.725 535 HE ARG 95 HE ARG 95 -10.886 -1.857 -9.046 536 1HH1 ARG 95 HH1 ARG 95 -9.981 0.327 -6.463 537 2HH1 ARG 95 HH1 ARG 95 -11.581 0.390 -5.785 538 1HH2 ARG 95 HH2 ARG 95 -12.988 -1.790 -8.134 539 2HH2 ARG 95 HH2 ARG 95 -13.269 -0.839 -6.710 540 H GLU 96 HN GLU 96 -6.221 -5.669 -9.195 541 HA GLU 96 HA GLU 96 -3.541 -4.954 -9.288 542 1HB GLU 96 HB2 GLU 96 -5.077 -6.682 -11.235 543 2HB GLU 96 HB3 GLU 96 -3.323 -6.606 -11.117 544 1HG GLU 96 HG2 GLU 96 -3.406 -7.486 -8.862 545 2HG GLU 96 HG3 GLU 96 -5.169 -7.507 -8.916 546 H GLY 97 HN GLY 97 -2.506 -3.414 -10.296 547 1HA GLY 97 HA1 GLY 97 -1.933 -2.309 -12.381 548 2HA GLY 97 HA2 GLY 97 -3.642 -2.321 -12.791 549 H GLN 98 HN GLN 98 -4.062 -1.625 -9.801 550 HA GLN 98 HA GLN 98 -4.073 1.239 -10.194 551 1HB GLN 98 HB2 GLN 98 -5.905 -0.114 -9.027 552 2HB GLN 98 HB3 GLN 98 -4.795 -0.243 -7.670 553 1HG GLN 98 HG2 GLN 98 -4.798 2.103 -7.325 554 2HG GLN 98 HG3 GLN 98 -5.671 2.384 -8.830 555 1HE2 GLN 98 HE21 GLN 98 -5.908 1.188 -5.574 556 2HE2 GLN 98 HE22 GLN 98 -7.628 1.305 -5.443 557 H GLU 99 HN GLU 99 -2.820 2.720 -9.140 558 HA GLU 99 HA GLU 99 -0.291 1.691 -8.163 559 1HB GLU 99 HB2 GLU 99 0.484 3.998 -8.305 560 2HB GLU 99 HB3 GLU 99 -0.269 3.489 -9.818 561 1HG GLU 99 HG2 GLU 99 -2.359 4.616 -9.069 562 2HG GLU 99 HG3 GLU 99 -1.467 5.246 -7.677 563 H VAL 100 HN VAL 100 0.710 2.381 -6.272 564 HA VAL 100 HA VAL 100 -0.864 3.921 -4.345 565 HB VAL 100 HB VAL 100 -0.199 2.478 -2.494 566 1HG1 VAL 100 HG11 VAL 100 -1.628 0.980 -4.684 567 2HG1 VAL 100 HG12 VAL 100 -1.608 0.512 -2.984 568 3HG1 VAL 100 HG13 VAL 100 -2.353 2.035 -3.471 569 1HG2 VAL 100 HG21 VAL 100 0.929 0.611 -4.572 570 2HG2 VAL 100 HG22 VAL 100 1.881 1.618 -3.476 571 3HG2 VAL 100 HG23 VAL 100 0.859 0.330 -2.832 572 H ILE 101 HN ILE 101 0.404 5.246 -3.049 573 HA ILE 101 HA ILE 101 3.277 5.263 -3.625 574 HB ILE 101 HB ILE 101 1.840 7.269 -1.900 575 1HG1 ILE 101 HG12 ILE 101 0.594 7.145 -4.007 576 2HG1 ILE 101 HG13 ILE 101 1.475 8.660 -3.890 577 1HG2 ILE 101 HG21 ILE 101 3.646 8.749 -2.694 578 2HG2 ILE 101 HG22 ILE 101 4.260 7.322 -1.856 579 3HG2 ILE 101 HG23 ILE 101 4.315 7.401 -3.617 580 1HD1 ILE 101 HD11 ILE 101 1.599 7.745 -6.127 581 2HD1 ILE 101 HD12 ILE 101 3.195 7.768 -5.375 582 3HD1 ILE 101 HD13 ILE 101 2.297 6.255 -5.489 583 H VAL 102 HN VAL 102 4.442 4.015 -2.299 584 HA VAL 102 HA VAL 102 3.783 3.913 0.550 585 HB VAL 102 HB VAL 102 4.066 1.363 0.419 586 1HG1 VAL 102 HG11 VAL 102 1.600 2.655 -0.738 587 2HG1 VAL 102 HG12 VAL 102 1.684 1.024 -0.071 588 3HG1 VAL 102 HG13 VAL 102 1.952 2.420 0.975 589 1HG2 VAL 102 HG21 VAL 102 3.411 1.968 -2.464 590 2HG2 VAL 102 HG22 VAL 102 4.869 1.188 -1.850 591 3HG2 VAL 102 HG23 VAL 102 3.313 0.371 -1.723 592 H GLN 103 HN GLN 103 5.546 3.868 1.782 593 HA GLN 103 HA GLN 103 8.093 3.184 0.500 594 1HB GLN 103 HB2 GLN 103 9.116 4.409 2.481 595 2HB GLN 103 HB3 GLN 103 8.256 5.401 1.313 596 1HG GLN 103 HG2 GLN 103 6.309 5.437 2.800 597 2HG GLN 103 HG3 GLN 103 7.207 4.472 3.971 598 1HE2 GLN 103 HE21 GLN 103 8.763 5.425 5.220 599 2HE2 GLN 103 HE22 GLN 103 9.001 7.137 5.283 600 H ILE 104 HN ILE 104 9.240 1.519 1.184 601 HA ILE 104 HA ILE 104 8.109 -0.398 2.943 602 HB ILE 104 HB ILE 104 10.830 -0.158 1.677 603 1HG1 ILE 104 HG12 ILE 104 9.041 -0.684 0.141 604 2HG1 ILE 104 HG13 ILE 104 10.012 -2.130 0.395 605 1HG2 ILE 104 HG21 ILE 104 11.298 -2.442 2.430 606 2HG2 ILE 104 HG22 ILE 104 11.153 -1.312 3.778 607 3HG2 ILE 104 HG23 ILE 104 9.825 -2.414 3.402 608 1HD1 ILE 104 HD11 ILE 104 7.613 -2.614 0.354 609 2HD1 ILE 104 HD12 ILE 104 8.341 -3.020 1.907 610 3HD1 ILE 104 HD13 ILE 104 7.381 -1.551 1.742 611 H ASP 105 HN ASP 105 7.825 0.166 4.977 612 HA ASP 105 HA ASP 105 9.787 1.663 6.482 613 1HB ASP 105 HB2 ASP 105 7.350 1.969 6.843 614 2HB ASP 105 HB3 ASP 105 7.238 0.299 7.391 615 H LYS 106 HN LYS 106 8.586 -1.624 6.248 616 HA LYS 106 HA LYS 106 10.815 -2.486 7.946 617 1HB LYS 106 HB2 LYS 106 8.030 -3.599 7.719 618 2HB LYS 106 HB3 LYS 106 9.361 -4.569 8.341 619 1HG LYS 106 HG2 LYS 106 9.744 -2.953 10.112 620 2HG LYS 106 HG3 LYS 106 8.460 -1.927 9.472 621 1HD LYS 106 HD2 LYS 106 6.796 -3.555 10.003 622 2HD LYS 106 HD3 LYS 106 8.025 -4.759 10.404 623 1HE LYS 106 HE2 LYS 106 7.003 -3.748 12.408 624 2HE LYS 106 HE3 LYS 106 8.738 -3.458 12.308 625 1HZ LYS 106 HZ1 LYS 106 8.333 -1.234 11.552 626 2HZ LYS 106 HZ2 LYS 106 7.455 -1.481 12.978 627 3HZ LYS 106 HZ3 LYS 106 6.660 -1.499 11.481 628 H GLU 107 HN GLU 107 12.131 -4.015 7.208 629 HA GLU 107 HA GLU 107 11.982 -4.414 4.328 630 1HB GLU 107 HB2 GLU 107 14.291 -4.358 6.272 631 2HB GLU 107 HB3 GLU 107 14.430 -4.593 4.543 632 1HG GLU 107 HG2 GLU 107 13.727 -2.411 4.062 633 2HG GLU 107 HG3 GLU 107 13.109 -2.175 5.697 634 H GLU 108 HN GLU 108 12.915 -6.370 3.468 635 HA GLU 108 HA GLU 108 11.652 -8.636 4.399 636 1HB GLU 108 HB2 GLU 108 13.007 -7.998 2.146 637 2HB GLU 108 HB3 GLU 108 14.149 -9.111 2.894 638 1HG GLU 108 HG2 GLU 108 11.262 -9.683 2.256 639 2HG GLU 108 HG3 GLU 108 12.662 -10.269 1.360 640 H ARG 109 HN ARG 109 11.942 -9.815 6.080 641 HA ARG 109 HA ARG 109 14.604 -10.442 7.081 642 1HB ARG 109 HB2 ARG 109 13.851 -9.921 9.416 643 2HB ARG 109 HB3 ARG 109 14.034 -8.504 8.394 644 1HG ARG 109 HG2 ARG 109 11.587 -8.568 7.995 645 2HG ARG 109 HG3 ARG 109 11.472 -9.867 9.179 646 1HD ARG 109 HD2 ARG 109 12.590 -7.123 9.737 647 2HD ARG 109 HD3 ARG 109 10.941 -7.630 10.103 648 HE ARG 109 HE ARG 109 11.957 -9.316 11.612 649 1HH1 ARG 109 HH1 ARG 109 13.863 -6.535 10.672 650 2HH1 ARG 109 HH1 ARG 109 14.766 -6.484 12.153 651 1HH2 ARG 109 HH2 ARG 109 13.142 -9.273 13.562 652 2HH2 ARG 109 HH2 ARG 109 14.358 -8.051 13.803 653 H GLY 110 HN GLY 110 12.163 -11.705 5.762 654 1HA GLY 110 HA1 GLY 110 11.536 -13.947 5.785 655 2HA GLY 110 HA2 GLY 110 12.214 -14.103 7.397 656 H ASN 111 HN ASN 111 10.799 -12.011 8.673 657 HA ASN 111 HA ASN 111 8.529 -13.541 9.396 658 1HB ASN 111 HB2 ASN 111 9.051 -10.661 10.144 659 2HB ASN 111 HB3 ASN 111 8.092 -11.838 11.031 660 1HD2 ASN 111 HD21 ASN 111 9.143 -13.454 12.222 661 2HD2 ASN 111 HD22 ASN 111 10.818 -13.319 12.641 662 H LYS 112 HN LYS 112 8.720 -10.294 7.869 663 HA LYS 112 HA LYS 112 6.141 -10.917 6.624 664 1HB LYS 112 HB2 LYS 112 7.027 -8.387 7.926 665 2HB LYS 112 HB3 LYS 112 5.944 -8.291 6.545 666 1HG LYS 112 HG2 LYS 112 4.334 -9.714 7.705 667 2HG LYS 112 HG3 LYS 112 5.419 -9.808 9.093 668 1HD LYS 112 HD2 LYS 112 5.233 -7.433 9.458 669 2HD LYS 112 HD3 LYS 112 4.275 -7.249 7.988 670 1HE LYS 112 HE2 LYS 112 2.876 -7.221 9.999 671 2HE LYS 112 HE3 LYS 112 2.494 -8.584 8.950 672 1HZ LYS 112 HZ1 LYS 112 2.596 -9.165 11.325 673 2HZ LYS 112 HZ2 LYS 112 4.241 -8.759 11.344 674 3HZ LYS 112 HZ3 LYS 112 3.701 -10.048 10.390 675 H GLY 113 HN GLY 113 9.201 -9.263 6.359 676 1HA GLY 113 HA1 GLY 113 10.530 -9.230 4.417 677 2HA GLY 113 HA2 GLY 113 9.103 -9.641 3.472 678 H ALA 114 HN ALA 114 8.612 -8.104 2.156 679 HA ALA 114 HA ALA 114 9.461 -5.374 2.599 680 1HB ALA 114 HB1 ALA 114 7.952 -6.597 0.313 681 2HB ALA 114 HB2 ALA 114 8.670 -4.985 0.349 682 3HB ALA 114 HB3 ALA 114 9.704 -6.413 0.424 683 H ALA 115 HN ALA 115 8.198 -4.520 4.248 684 HA ALA 115 HA ALA 115 5.290 -4.743 4.049 685 1HB ALA 115 HB1 ALA 115 7.024 -3.583 6.223 686 2HB ALA 115 HB2 ALA 115 5.267 -3.737 6.287 687 3HB ALA 115 HB3 ALA 115 6.277 -5.183 6.220 688 H LEU 116 HN LEU 116 4.068 -3.187 3.219 689 HA LEU 116 HA LEU 116 5.268 -0.605 2.583 690 1HB LEU 116 HB2 LEU 116 2.462 -1.527 1.975 691 2HB LEU 116 HB3 LEU 116 3.333 -0.195 1.234 692 HG LEU 116 HG LEU 116 4.123 -3.091 0.901 693 1HD1 LEU 116 HD11 LEU 116 2.502 -1.320 -0.921 694 2HD1 LEU 116 HD12 LEU 116 3.076 -2.945 -1.295 695 3HD1 LEU 116 HD13 LEU 116 1.892 -2.701 -0.010 696 1HD2 LEU 116 HD21 LEU 116 4.864 -0.624 -0.667 697 2HD2 LEU 116 HD22 LEU 116 5.887 -1.397 0.542 698 3HD2 LEU 116 HD23 LEU 116 5.457 -2.264 -0.931 699 H THR 117 HN THR 117 4.773 1.250 3.609 700 HA THR 117 HA THR 117 2.882 1.129 5.843 701 HB THR 117 HB THR 117 5.235 2.076 6.124 702 HG1 THR 117 HG1 THR 117 4.468 3.412 7.654 703 1HG2 THR 117 HG21 THR 117 4.020 4.325 4.515 704 2HG2 THR 117 HG22 THR 117 5.408 3.334 4.064 705 3HG2 THR 117 HG23 THR 117 5.520 4.438 5.435 706 H THR 118 HN THR 118 1.452 3.087 6.126 707 HA THR 118 HA THR 118 0.800 4.331 3.542 708 HB THR 118 HB THR 118 -1.569 4.540 4.481 709 HG1 THR 118 HG1 THR 118 -2.097 2.886 5.991 710 1HG2 THR 118 HG21 THR 118 -0.996 3.094 2.610 711 2HG2 THR 118 HG22 THR 118 -2.162 2.295 3.663 712 3HG2 THR 118 HG23 THR 118 -0.460 1.836 3.724 713 H PHE 119 HN PHE 119 2.435 5.078 6.005 714 HA PHE 119 HA PHE 119 1.136 7.505 6.882 715 1HB PHE 119 HB2 PHE 119 3.892 6.368 7.347 716 2HB PHE 119 HB3 PHE 119 3.425 7.970 7.916 717 HD1 PHE 119 HD1 PHE 119 1.592 8.202 9.568 718 HD2 PHE 119 HD2 PHE 119 3.187 4.412 8.478 719 HE1 PHE 119 HE1 PHE 119 0.583 7.206 11.577 720 HE2 PHE 119 HE2 PHE 119 2.182 3.407 10.487 721 HZ PHE 119 HZ PHE 119 0.876 4.804 12.038 722 H ILE 120 HN ILE 120 0.948 7.693 4.365 723 HA ILE 120 HA ILE 120 3.006 9.593 3.460 724 HB ILE 120 HB ILE 120 1.537 7.648 1.646 725 1HG1 ILE 120 HG12 ILE 120 4.281 7.015 1.679 726 2HG1 ILE 120 HG13 ILE 120 3.811 7.187 3.367 727 1HG2 ILE 120 HG21 ILE 120 3.855 9.516 1.176 728 2HG2 ILE 120 HG22 ILE 120 3.381 8.237 0.057 729 3HG2 ILE 120 HG23 ILE 120 2.265 9.552 0.412 730 1HD1 ILE 120 HD11 ILE 120 2.483 5.394 1.350 731 2HD1 ILE 120 HD12 ILE 120 3.614 4.887 2.606 732 3HD1 ILE 120 HD13 ILE 120 2.043 5.551 3.051 733 H SER 121 HN SER 121 1.907 10.836 1.447 734 HA SER 121 HA SER 121 -0.136 12.397 2.579 735 1HB SER 121 HB2 SER 121 0.550 12.381 -0.343 736 2HB SER 121 HB3 SER 121 0.109 13.749 0.683 737 HG SER 121 HG SER 121 2.138 13.386 1.802 738 H LEU 122 HN LEU 122 -0.857 9.476 1.906 739 HA LEU 122 HA LEU 122 -3.202 10.026 0.227 740 1HB LEU 122 HB2 LEU 122 -1.574 7.515 0.539 741 2HB LEU 122 HB3 LEU 122 -3.154 7.537 -0.212 742 HG LEU 122 HG LEU 122 -2.119 9.289 -1.810 743 1HD1 LEU 122 HD11 LEU 122 -0.064 9.666 -0.567 744 2HD1 LEU 122 HD12 LEU 122 0.373 7.968 -0.748 745 3HD1 LEU 122 HD13 LEU 122 0.284 9.011 -2.168 746 1HD2 LEU 122 HD21 LEU 122 -2.836 7.054 -2.448 747 2HD2 LEU 122 HD22 LEU 122 -1.341 7.498 -3.274 748 3HD2 LEU 122 HD23 LEU 122 -1.296 6.390 -1.901 749 H ALA 123 HN ALA 123 -4.757 10.407 1.683 750 HA ALA 123 HA ALA 123 -6.392 8.465 2.504 751 1HB ALA 123 HB1 ALA 123 -6.161 8.114 4.897 752 2HB ALA 123 HB2 ALA 123 -4.701 7.579 4.061 753 3HB ALA 123 HB3 ALA 123 -4.707 9.117 4.928 754 H GLY 124 HN GLY 124 -7.103 10.627 1.523 755 1HA GLY 124 HA1 GLY 124 -7.317 12.889 3.272 756 2HA GLY 124 HA2 GLY 124 -8.080 12.706 1.699 757 H SER 125 HN SER 125 -9.370 13.922 3.813 758 HA SER 125 HA SER 125 -11.594 12.042 4.162 759 1HB SER 125 HB2 SER 125 -10.585 13.976 6.271 760 2HB SER 125 HB3 SER 125 -12.009 12.946 6.419 761 HG SER 125 HG SER 125 -9.927 11.431 5.714 Start of MODEL 4 1 1H GLY 30 H1 GLY 30 6.592 21.081 -1.025 2 2H GLY 30 H2 GLY 30 8.129 21.482 -0.440 3 3H GLY 30 H3 GLY 30 6.828 21.345 0.629 4 1HA GLY 30 HA2 GLY 30 8.297 19.409 0.734 5 2HA GLY 30 HA1 GLY 30 6.656 19.002 0.252 6 H SER 31 HN SER 31 9.958 19.408 -0.828 7 HA SER 31 HA SER 31 9.435 18.747 -3.554 8 1HB SER 31 HB2 SER 31 12.034 18.635 -2.009 9 2HB SER 31 HB3 SER 31 11.868 18.630 -3.766 10 HG SER 31 HG SER 31 11.037 20.720 -3.671 11 H HIS 32 HN HIS 32 9.513 16.826 -4.573 12 HA HIS 32 HA HIS 32 9.385 14.453 -2.903 13 1HB HIS 32 HB2 HIS 32 8.903 14.884 -5.858 14 2HB HIS 32 HB3 HIS 32 8.746 13.325 -5.056 15 HD1 HIS 32 HD1 HIS 32 6.947 16.470 -5.720 16 HD2 HIS 32 HD2 HIS 32 6.556 13.192 -3.187 17 HE1 HIS 32 HE1 HIS 32 4.603 16.579 -4.822 18 HE2 HIS 32 HE2 HIS 32 4.335 14.499 -3.429 19 H MET 33 HN MET 33 10.570 12.541 -3.387 20 HA MET 33 HA MET 33 12.373 11.287 -3.876 21 1HB MET 33 HB2 MET 33 12.949 13.459 -5.887 22 2HB MET 33 HB3 MET 33 13.974 12.044 -5.680 23 1HG MET 33 HG2 MET 33 11.997 10.616 -6.169 24 2HG MET 33 HG3 MET 33 11.085 12.081 -6.526 25 1HE MET 33 HE1 MET 33 11.381 9.643 -8.566 26 2HE MET 33 HE2 MET 33 10.463 11.110 -8.912 27 3HE MET 33 HE3 MET 33 11.656 10.521 -10.072 28 H LEU 34 HN LEU 34 12.304 13.565 -1.930 29 HA LEU 34 HA LEU 34 15.193 13.759 -1.453 30 1HB LEU 34 HB2 LEU 34 12.877 15.149 -0.101 31 2HB LEU 34 HB3 LEU 34 14.545 15.295 0.416 32 HG LEU 34 HG LEU 34 13.391 16.241 -2.207 33 1HD1 LEU 34 HD11 LEU 34 13.961 18.456 -1.352 34 2HD1 LEU 34 HD12 LEU 34 12.817 17.632 -0.293 35 3HD1 LEU 34 HD13 LEU 34 14.519 17.732 0.156 36 1HD2 LEU 34 HD21 LEU 34 15.661 15.390 -2.512 37 2HD2 LEU 34 HD22 LEU 34 15.613 17.147 -2.654 38 3HD2 LEU 34 HD23 LEU 34 16.223 16.399 -1.180 39 H GLU 35 HN GLU 35 12.177 12.946 0.116 40 HA GLU 35 HA GLU 35 11.611 11.540 1.826 41 1HB GLU 35 HB2 GLU 35 13.605 9.655 0.605 42 2HB GLU 35 HB3 GLU 35 12.025 9.298 1.282 43 1HG GLU 35 HG2 GLU 35 12.701 10.491 -1.383 44 2HG GLU 35 HG3 GLU 35 11.753 9.055 -1.022 45 H GLN 36 HN GLN 36 12.762 12.998 3.352 46 HA GLN 36 HA GLN 36 15.560 12.519 3.767 47 1HB GLN 36 HB2 GLN 36 15.580 14.550 5.028 48 2HB GLN 36 HB3 GLN 36 14.595 14.773 3.592 49 1HG GLN 36 HG2 GLN 36 13.552 14.357 6.379 50 2HG GLN 36 HG3 GLN 36 13.660 15.894 5.531 51 1HE2 GLN 36 HE21 GLN 36 12.233 16.330 3.839 52 2HE2 GLN 36 HE22 GLN 36 10.784 15.416 3.616 53 H LYS 37 HN LYS 37 12.802 12.565 6.076 54 HA LYS 37 HA LYS 37 14.324 10.581 7.645 55 1HB LYS 37 HB2 LYS 37 12.305 12.643 8.545 56 2HB LYS 37 HB3 LYS 37 12.744 11.261 9.540 57 1HG LYS 37 HG2 LYS 37 15.108 12.010 9.451 58 2HG LYS 37 HG3 LYS 37 14.578 13.450 8.581 59 1HD LYS 37 HD2 LYS 37 13.588 12.650 11.316 60 2HD LYS 37 HD3 LYS 37 14.890 13.803 11.021 61 1HE LYS 37 HE2 LYS 37 12.093 14.100 9.938 62 2HE LYS 37 HE3 LYS 37 12.655 14.844 11.435 63 1HZ LYS 37 HZ1 LYS 37 12.732 16.240 9.318 64 2HZ LYS 37 HZ2 LYS 37 14.069 15.297 8.872 65 3HZ LYS 37 HZ3 LYS 37 14.122 16.225 10.286 66 H LYS 38 HN LYS 38 13.240 9.689 5.545 67 HA LYS 38 HA LYS 38 10.635 8.519 6.188 68 1HB LYS 38 HB2 LYS 38 10.227 10.355 4.728 69 2HB LYS 38 HB3 LYS 38 11.606 9.959 3.724 70 1HG LYS 38 HG2 LYS 38 10.434 7.900 3.002 71 2HG LYS 38 HG3 LYS 38 9.015 8.456 3.908 72 1HD LYS 38 HD2 LYS 38 10.350 10.236 1.902 73 2HD LYS 38 HD3 LYS 38 9.190 9.007 1.386 74 1HE LYS 38 HE2 LYS 38 7.479 10.001 2.793 75 2HE LYS 38 HE3 LYS 38 8.639 11.186 3.397 76 1HZ LYS 38 HZ1 LYS 38 7.070 11.875 1.511 77 2HZ LYS 38 HZ2 LYS 38 8.087 10.950 0.506 78 3HZ LYS 38 HZ3 LYS 38 8.713 12.267 1.363 79 H ALA 39 HN ALA 39 10.349 6.420 5.391 80 HA ALA 39 HA ALA 39 12.673 4.927 4.640 81 1HB ALA 39 HB1 ALA 39 9.744 4.186 4.548 82 2HB ALA 39 HB2 ALA 39 11.089 3.068 4.316 83 3HB ALA 39 HB3 ALA 39 10.861 3.861 5.875 84 H ASN 40 HN ASN 40 13.013 3.932 2.574 85 HA ASN 40 HA ASN 40 12.803 5.761 0.468 86 1HB ASN 40 HB2 ASN 40 14.520 3.978 0.656 87 2HB ASN 40 HB3 ASN 40 13.277 2.788 0.301 88 1HD2 ASN 40 HD21 ASN 40 14.566 2.129 -1.480 89 2HD2 ASN 40 HD22 ASN 40 14.537 3.027 -2.958 90 H ILE 41 HN ILE 41 11.170 6.289 -0.755 91 HA ILE 41 HA ILE 41 8.656 4.895 -0.465 92 HB ILE 41 HB ILE 41 8.948 7.402 -0.314 93 1HG1 ILE 41 HG12 ILE 41 6.879 7.879 -1.757 94 2HG1 ILE 41 HG13 ILE 41 6.927 6.167 -2.174 95 1HG2 ILE 41 HG21 ILE 41 10.452 7.719 -2.182 96 2HG2 ILE 41 HG22 ILE 41 9.203 7.177 -3.306 97 3HG2 ILE 41 HG23 ILE 41 8.986 8.677 -2.401 98 1HD1 ILE 41 HD11 ILE 41 5.383 6.635 -0.340 99 2HD1 ILE 41 HD12 ILE 41 6.696 5.568 0.159 100 3HD1 ILE 41 HD13 ILE 41 6.722 7.275 0.614 101 H TYR 42 HN TYR 42 7.422 3.998 -2.134 102 HA TYR 42 HA TYR 42 8.577 3.970 -4.830 103 1HB TYR 42 HB2 TYR 42 7.802 1.561 -3.188 104 2HB TYR 42 HB3 TYR 42 7.828 1.512 -4.946 105 HD1 TYR 42 HD1 TYR 42 9.814 1.458 -1.915 106 HD2 TYR 42 HD2 TYR 42 9.966 1.800 -6.154 107 HE1 TYR 42 HE1 TYR 42 12.210 0.910 -1.869 108 HE2 TYR 42 HE2 TYR 42 12.362 1.254 -6.119 109 HH TYR 42 HH TYR 42 14.231 1.255 -4.651 110 H LYS 43 HN LYS 43 7.063 3.938 -6.462 111 HA LYS 43 HA LYS 43 4.250 3.678 -5.643 112 1HB LYS 43 HB2 LYS 43 4.703 5.775 -6.833 113 2HB LYS 43 HB3 LYS 43 5.405 4.877 -8.176 114 1HG LYS 43 HG2 LYS 43 3.218 3.782 -8.535 115 2HG LYS 43 HG3 LYS 43 2.533 4.800 -7.271 116 1HD LYS 43 HD2 LYS 43 3.836 5.802 -9.793 117 2HD LYS 43 HD3 LYS 43 2.096 5.643 -9.547 118 1HE LYS 43 HE2 LYS 43 2.252 7.214 -7.649 119 2HE LYS 43 HE3 LYS 43 3.974 7.405 -7.975 120 1HZ LYS 43 HZ1 LYS 43 2.685 9.203 -8.931 121 2HZ LYS 43 HZ2 LYS 43 1.771 8.105 -9.840 122 3HZ LYS 43 HZ3 LYS 43 3.427 8.293 -10.151 123 H GLY 44 HN GLY 44 3.396 1.776 -5.988 124 1HA GLY 44 HA1 GLY 44 4.236 0.258 -8.365 125 2HA GLY 44 HA2 GLY 44 4.241 -0.523 -6.784 126 H LYS 45 HN LYS 45 2.716 -1.631 -8.715 127 HA LYS 45 HA LYS 45 -0.011 -0.672 -8.210 128 1HB LYS 45 HB2 LYS 45 0.997 -2.700 -10.203 129 2HB LYS 45 HB3 LYS 45 -0.681 -2.189 -10.016 130 1HG LYS 45 HG2 LYS 45 -0.251 -0.061 -10.873 131 2HG LYS 45 HG3 LYS 45 1.491 -0.213 -10.652 132 1HD LYS 45 HD2 LYS 45 1.268 -2.192 -12.328 133 2HD LYS 45 HD3 LYS 45 -0.277 -1.443 -12.737 134 1HE LYS 45 HE2 LYS 45 0.890 0.655 -13.235 135 2HE LYS 45 HE3 LYS 45 2.425 -0.118 -12.849 136 1HZ LYS 45 HZ1 LYS 45 1.827 -1.776 -14.647 137 2HZ LYS 45 HZ2 LYS 45 2.255 -0.221 -15.163 138 3HZ LYS 45 HZ3 LYS 45 0.623 -0.681 -15.130 139 H ILE 46 HN ILE 46 -1.646 -2.186 -7.722 140 HA ILE 46 HA ILE 46 -0.970 -4.295 -5.949 141 HB ILE 46 HB ILE 46 -3.485 -3.379 -7.301 142 1HG1 ILE 46 HG12 ILE 46 -4.278 -3.222 -4.945 143 2HG1 ILE 46 HG13 ILE 46 -2.694 -3.754 -4.401 144 1HG2 ILE 46 HG21 ILE 46 -3.545 -5.791 -7.447 145 2HG2 ILE 46 HG22 ILE 46 -3.191 -5.922 -5.724 146 3HG2 ILE 46 HG23 ILE 46 -4.712 -5.211 -6.259 147 1HD1 ILE 46 HD11 ILE 46 -2.958 -1.340 -4.196 148 2HD1 ILE 46 HD12 ILE 46 -1.695 -1.738 -5.361 149 3HD1 ILE 46 HD13 ILE 46 -3.283 -1.219 -5.923 150 H THR 47 HN THR 47 -0.665 -6.434 -6.367 151 HA THR 47 HA THR 47 -0.932 -7.292 -9.188 152 HB THR 47 HB THR 47 1.096 -8.410 -9.052 153 HG1 THR 47 HG1 THR 47 0.919 -9.679 -7.242 154 1HG2 THR 47 HG21 THR 47 1.631 -6.115 -8.956 155 2HG2 THR 47 HG22 THR 47 2.627 -6.863 -7.707 156 3HG2 THR 47 HG23 THR 47 1.153 -6.004 -7.260 157 H ARG 48 HN ARG 48 -1.307 -8.127 -5.829 158 HA ARG 48 HA ARG 48 -3.127 -10.277 -6.533 159 1HB ARG 48 HB2 ARG 48 -1.076 -11.472 -6.341 160 2HB ARG 48 HB3 ARG 48 -0.612 -10.585 -4.902 161 1HG ARG 48 HG2 ARG 48 -2.518 -11.644 -3.702 162 2HG ARG 48 HG3 ARG 48 -2.855 -12.594 -5.148 163 1HD ARG 48 HD2 ARG 48 -0.264 -12.637 -3.617 164 2HD ARG 48 HD3 ARG 48 -1.561 -13.818 -3.432 165 HE ARG 48 HE ARG 48 -0.922 -13.752 -6.135 166 1HH1 ARG 48 HH1 ARG 48 0.670 -14.541 -3.122 167 2HH1 ARG 48 HH1 ARG 48 1.745 -15.706 -3.829 168 1HH2 ARG 48 HH2 ARG 48 0.503 -15.266 -7.088 169 2HH2 ARG 48 HH2 ARG 48 1.662 -16.107 -6.098 170 H ILE 49 HN ILE 49 -4.900 -9.972 -5.372 171 HA ILE 49 HA ILE 49 -4.630 -9.082 -2.585 172 HB ILE 49 HB ILE 49 -6.836 -8.190 -4.451 173 1HG1 ILE 49 HG12 ILE 49 -4.476 -6.641 -3.362 174 2HG1 ILE 49 HG13 ILE 49 -4.699 -7.163 -5.022 175 1HG2 ILE 49 HG21 ILE 49 -7.455 -6.701 -2.612 176 2HG2 ILE 49 HG22 ILE 49 -7.553 -8.399 -2.143 177 3HG2 ILE 49 HG23 ILE 49 -6.188 -7.418 -1.614 178 1HD1 ILE 49 HD11 ILE 49 -5.258 -4.868 -4.875 179 2HD1 ILE 49 HD12 ILE 49 -6.743 -5.782 -5.136 180 3HD1 ILE 49 HD13 ILE 49 -6.364 -5.169 -3.526 181 H GLU 50 HN GLU 50 -5.692 -10.300 -1.184 182 HA GLU 50 HA GLU 50 -7.674 -12.209 -2.236 183 1HB GLU 50 HB2 GLU 50 -5.292 -13.124 -1.775 184 2HB GLU 50 HB3 GLU 50 -5.703 -12.930 -0.080 185 1HG GLU 50 HG2 GLU 50 -7.629 -14.408 -0.389 186 2HG GLU 50 HG3 GLU 50 -7.160 -14.641 -2.073 187 HA PRO 51 HA PRO 51 -10.059 -10.417 1.032 188 1HB PRO 51 HB2 PRO 51 -11.859 -12.710 0.820 189 2HB PRO 51 HB3 PRO 51 -12.153 -11.022 0.402 190 1HG PRO 51 HG2 PRO 51 -11.933 -13.002 -1.450 191 2HG PRO 51 HG3 PRO 51 -11.507 -11.312 -1.774 192 1HD PRO 51 HD2 PRO 51 -9.736 -13.643 -1.203 193 2HD PRO 51 HD3 PRO 51 -9.479 -12.272 -2.301 194 H SER 52 HN SER 52 -8.945 -13.701 1.002 195 HA SER 52 HA SER 52 -9.715 -14.368 3.661 196 1HB SER 52 HB2 SER 52 -7.571 -15.681 1.986 197 2HB SER 52 HB3 SER 52 -8.531 -16.411 3.276 198 HG SER 52 HG SER 52 -10.403 -15.959 1.908 199 H LEU 53 HN LEU 53 -7.036 -12.675 2.264 200 HA LEU 53 HA LEU 53 -5.729 -12.711 4.895 201 1HB LEU 53 HB2 LEU 53 -3.615 -12.094 3.602 202 2HB LEU 53 HB3 LEU 53 -4.168 -13.751 3.527 203 HG LEU 53 HG LEU 53 -5.253 -13.103 1.291 204 1HD1 LEU 53 HD11 LEU 53 -4.199 -11.248 0.098 205 2HD1 LEU 53 HD12 LEU 53 -5.080 -10.681 1.517 206 3HD1 LEU 53 HD13 LEU 53 -3.322 -10.803 1.564 207 1HD2 LEU 53 HD21 LEU 53 -3.150 -13.468 0.099 208 2HD2 LEU 53 HD22 LEU 53 -2.258 -13.143 1.585 209 3HD2 LEU 53 HD23 LEU 53 -3.320 -14.549 1.483 210 H GLU 54 HN GLU 54 -7.492 -10.781 2.822 211 HA GLU 54 HA GLU 54 -7.853 -8.559 2.666 212 1HB GLU 54 HB2 GLU 54 -8.082 -7.447 4.923 213 2HB GLU 54 HB3 GLU 54 -9.025 -8.905 4.673 214 1HG GLU 54 HG2 GLU 54 -7.231 -10.152 5.911 215 2HG GLU 54 HG3 GLU 54 -6.521 -8.587 6.304 216 H ALA 55 HN ALA 55 -5.565 -8.832 1.673 217 HA ALA 55 HA ALA 55 -4.193 -6.416 2.290 218 1HB ALA 55 HB1 ALA 55 -3.170 -7.900 3.949 219 2HB ALA 55 HB2 ALA 55 -2.718 -9.018 2.663 220 3HB ALA 55 HB3 ALA 55 -2.004 -7.404 2.722 221 H ALA 56 HN ALA 56 -2.281 -6.169 0.734 222 HA ALA 56 HA ALA 56 -2.874 -7.564 -1.788 223 1HB ALA 56 HB1 ALA 56 -4.087 -5.423 -1.746 224 2HB ALA 56 HB2 ALA 56 -2.556 -4.579 -1.510 225 3HB ALA 56 HB3 ALA 56 -2.851 -5.473 -3.002 226 H PHE 57 HN PHE 57 -1.141 -8.155 -2.904 227 HA PHE 57 HA PHE 57 1.494 -7.334 -2.003 228 1HB PHE 57 HB2 PHE 57 0.579 -9.254 -4.144 229 2HB PHE 57 HB3 PHE 57 2.266 -8.836 -3.906 230 HD1 PHE 57 HD1 PHE 57 3.379 -9.437 -1.753 231 HD2 PHE 57 HD2 PHE 57 -0.490 -10.862 -2.804 232 HE1 PHE 57 HE1 PHE 57 3.601 -11.242 -0.097 233 HE2 PHE 57 HE2 PHE 57 -0.281 -12.666 -1.140 234 HZ PHE 57 HZ PHE 57 1.768 -12.861 0.214 235 H VAL 58 HN VAL 58 2.720 -5.889 -2.952 236 HA VAL 58 HA VAL 58 1.825 -4.676 -5.477 237 HB VAL 58 HB VAL 58 3.161 -3.420 -3.081 238 1HG1 VAL 58 HG11 VAL 58 4.376 -2.694 -5.099 239 2HG1 VAL 58 HG12 VAL 58 2.850 -2.182 -5.819 240 3HG1 VAL 58 HG13 VAL 58 3.458 -1.375 -4.374 241 1HG2 VAL 58 HG21 VAL 58 0.739 -3.468 -3.027 242 2HG2 VAL 58 HG22 VAL 58 1.287 -1.814 -3.308 243 3HG2 VAL 58 HG23 VAL 58 0.660 -2.776 -4.647 244 H ASP 59 HN ASP 59 3.186 -4.711 -7.129 245 HA ASP 59 HA ASP 59 5.783 -5.992 -6.660 246 1HB ASP 59 HB2 ASP 59 4.124 -7.094 -8.217 247 2HB ASP 59 HB3 ASP 59 4.302 -5.692 -9.286 248 H TYR 60 HN TYR 60 7.296 -4.481 -6.375 249 HA TYR 60 HA TYR 60 7.626 -2.545 -8.563 250 1HB TYR 60 HB2 TYR 60 8.795 -1.065 -6.932 251 2HB TYR 60 HB3 TYR 60 7.112 -1.335 -6.496 252 HD1 TYR 60 HD1 TYR 60 6.641 -3.144 -4.696 253 HD2 TYR 60 HD2 TYR 60 10.493 -1.457 -5.368 254 HE1 TYR 60 HE1 TYR 60 7.358 -3.887 -2.463 255 HE2 TYR 60 HE2 TYR 60 11.214 -2.201 -3.144 256 HH TYR 60 HH TYR 60 9.381 -4.390 -1.254 257 H GLY 61 HN GLY 61 8.631 -4.613 -9.412 258 1HA GLY 61 HA1 GLY 61 10.415 -6.020 -9.798 259 2HA GLY 61 HA2 GLY 61 11.417 -4.653 -9.323 260 H ALA 62 HN ALA 62 9.083 -6.242 -7.250 261 HA ALA 62 HA ALA 62 11.192 -6.548 -5.257 262 1HB ALA 62 HB1 ALA 62 9.176 -5.313 -4.639 263 2HB ALA 62 HB2 ALA 62 8.196 -6.743 -4.963 264 3HB ALA 62 HB3 ALA 62 9.373 -6.759 -3.648 265 H GLU 63 HN GLU 63 11.360 -8.440 -3.959 266 HA GLU 63 HA GLU 63 11.018 -10.839 -5.603 267 1HB GLU 63 HB2 GLU 63 13.269 -10.112 -4.668 268 2HB GLU 63 HB3 GLU 63 12.651 -10.539 -3.080 269 1HG GLU 63 HG2 GLU 63 14.018 -12.312 -4.012 270 2HG GLU 63 HG3 GLU 63 12.348 -12.838 -3.796 271 H ARG 64 HN ARG 64 10.046 -9.408 -2.584 272 HA ARG 64 HA ARG 64 8.473 -11.829 -2.002 273 1HB ARG 64 HB2 ARG 64 9.450 -9.680 -0.125 274 2HB ARG 64 HB3 ARG 64 8.340 -10.962 0.335 275 1HG ARG 64 HG2 ARG 64 11.032 -11.573 -0.832 276 2HG ARG 64 HG3 ARG 64 10.820 -11.256 0.889 277 1HD ARG 64 HD2 ARG 64 10.776 -13.641 0.470 278 2HD ARG 64 HD3 ARG 64 9.195 -13.093 1.016 279 HE ARG 64 HE ARG 64 9.408 -13.202 -1.843 280 1HH1 ARG 64 HH1 ARG 64 8.862 -15.116 1.027 281 2HH1 ARG 64 HH1 ARG 64 7.898 -16.314 0.218 282 1HH2 ARG 64 HH2 ARG 64 8.144 -14.783 -2.941 283 2HH2 ARG 64 HH2 ARG 64 7.503 -16.130 -2.041 284 H HIS 65 HN HIS 65 8.322 -8.750 -3.170 285 HA HIS 65 HA HIS 65 6.631 -7.373 -3.794 286 1HB HIS 65 HB2 HIS 65 5.030 -9.771 -2.988 287 2HB HIS 65 HB3 HIS 65 4.201 -8.242 -3.244 288 HD1 HIS 65 HD1 HIS 65 2.990 -9.329 -5.293 289 HD2 HIS 65 HD2 HIS 65 7.112 -9.010 -5.669 290 HE1 HIS 65 HE1 HIS 65 3.462 -9.630 -7.727 291 HE2 HIS 65 HE2 HIS 65 5.939 -9.241 -7.969 292 H GLY 66 HN GLY 66 5.549 -5.657 -2.930 293 1HA GLY 66 HA1 GLY 66 5.824 -5.291 -0.084 294 2HA GLY 66 HA2 GLY 66 5.179 -4.124 -1.233 295 H PHE 67 HN PHE 67 4.441 -6.389 1.156 296 HA PHE 67 HA PHE 67 1.699 -6.759 0.244 297 1HB PHE 67 HB2 PHE 67 3.262 -8.557 1.305 298 2HB PHE 67 HB3 PHE 67 2.814 -7.808 2.827 299 HD1 PHE 67 HD1 PHE 67 0.601 -8.269 -0.104 300 HD2 PHE 67 HD2 PHE 67 1.610 -9.576 3.819 301 HE1 PHE 67 HE1 PHE 67 -1.458 -9.608 -0.024 302 HE2 PHE 67 HE2 PHE 67 -0.444 -10.920 3.901 303 HZ PHE 67 HZ PHE 67 -1.925 -11.027 1.923 304 H LEU 68 HN LEU 68 0.675 -4.859 0.507 305 HA LEU 68 HA LEU 68 0.765 -3.398 3.013 306 1HB LEU 68 HB2 LEU 68 0.271 -2.700 0.383 307 2HB LEU 68 HB3 LEU 68 -1.330 -2.690 1.087 308 HG LEU 68 HG LEU 68 1.029 -1.016 1.904 309 1HD1 LEU 68 HD11 LEU 68 -0.470 0.832 1.315 310 2HD1 LEU 68 HD12 LEU 68 -0.155 -0.234 -0.053 311 3HD1 LEU 68 HD13 LEU 68 -1.691 -0.333 0.805 312 1HD2 LEU 68 HD21 LEU 68 -0.439 -0.039 3.600 313 2HD2 LEU 68 HD22 LEU 68 -1.665 -1.256 3.232 314 3HD2 LEU 68 HD23 LEU 68 -0.109 -1.744 3.909 315 HA PRO 69 HA PRO 69 -2.720 -5.847 4.533 316 1HB PRO 69 HB2 PRO 69 -2.464 -4.197 6.930 317 2HB PRO 69 HB3 PRO 69 -2.265 -5.941 6.754 318 1HG PRO 69 HG2 PRO 69 -0.209 -4.251 7.257 319 2HG PRO 69 HG3 PRO 69 -0.022 -5.777 6.372 320 1HD PRO 69 HD2 PRO 69 -0.148 -2.980 5.320 321 2HD PRO 69 HD3 PRO 69 0.822 -4.356 4.754 322 H LEU 70 HN LEU 70 -4.838 -5.411 4.578 323 HA LEU 70 HA LEU 70 -5.898 -3.107 3.467 324 1HB LEU 70 HB2 LEU 70 -7.171 -5.067 3.370 325 2HB LEU 70 HB3 LEU 70 -7.078 -5.328 5.093 326 HG LEU 70 HG LEU 70 -8.586 -3.410 5.455 327 1HD1 LEU 70 HD11 LEU 70 -8.736 -3.382 2.447 328 2HD1 LEU 70 HD12 LEU 70 -9.780 -2.465 3.534 329 3HD1 LEU 70 HD13 LEU 70 -8.051 -2.123 3.476 330 1HD2 LEU 70 HD21 LEU 70 -9.449 -5.691 5.299 331 2HD2 LEU 70 HD22 LEU 70 -10.602 -4.515 4.667 332 3HD2 LEU 70 HD23 LEU 70 -9.646 -5.496 3.556 333 H LYS 71 HN LYS 71 -5.249 -3.827 6.791 334 HA LYS 71 HA LYS 71 -6.906 -1.947 8.033 335 1HB LYS 71 HB2 LYS 71 -5.314 -2.185 9.944 336 2HB LYS 71 HB3 LYS 71 -5.878 -3.721 9.295 337 1HG LYS 71 HG2 LYS 71 -3.765 -3.848 7.962 338 2HG LYS 71 HG3 LYS 71 -3.201 -2.418 8.828 339 1HD LYS 71 HD2 LYS 71 -4.016 -5.007 10.134 340 2HD LYS 71 HD3 LYS 71 -2.354 -4.549 9.756 341 1HE LYS 71 HE2 LYS 71 -4.200 -2.963 11.530 342 2HE LYS 71 HE3 LYS 71 -3.019 -4.134 12.108 343 1HZ LYS 71 HZ1 LYS 71 -2.350 -1.706 10.520 344 2HZ LYS 71 HZ2 LYS 71 -1.250 -2.809 11.192 345 3HZ LYS 71 HZ3 LYS 71 -2.203 -1.842 12.206 346 H GLU 72 HN GLU 72 -3.999 -1.525 6.242 347 HA GLU 72 HA GLU 72 -3.353 1.012 7.535 348 1HB GLU 72 HB2 GLU 72 -1.898 -0.290 5.234 349 2HB GLU 72 HB3 GLU 72 -1.292 0.934 6.345 350 1HG GLU 72 HG2 GLU 72 -2.023 -1.867 7.178 351 2HG GLU 72 HG3 GLU 72 -0.397 -1.365 6.728 352 H ILE 73 HN ILE 73 -5.038 -0.158 4.810 353 HA ILE 73 HA ILE 73 -4.247 1.436 2.723 354 HB ILE 73 HB ILE 73 -6.978 0.313 3.312 355 1HG1 ILE 73 HG12 ILE 73 -4.636 -0.569 1.628 356 2HG1 ILE 73 HG13 ILE 73 -5.341 -1.396 3.014 357 1HG2 ILE 73 HG21 ILE 73 -7.630 0.749 1.066 358 2HG2 ILE 73 HG22 ILE 73 -7.077 2.269 1.763 359 3HG2 ILE 73 HG23 ILE 73 -6.033 1.372 0.662 360 1HD1 ILE 73 HD11 ILE 73 -5.961 -2.506 0.971 361 2HD1 ILE 73 HD12 ILE 73 -7.385 -1.781 1.715 362 3HD1 ILE 73 HD13 ILE 73 -6.629 -1.006 0.324 363 H ALA 74 HN ALA 74 -4.514 3.436 2.042 364 HA ALA 74 HA ALA 74 -5.839 5.352 3.794 365 1HB ALA 74 HB1 ALA 74 -4.613 7.042 2.493 366 2HB ALA 74 HB2 ALA 74 -3.531 5.808 3.148 367 3HB ALA 74 HB3 ALA 74 -3.989 5.768 1.443 368 H ARG 75 HN ARG 75 -7.242 6.893 3.069 369 HA ARG 75 HA ARG 75 -9.372 6.160 1.481 370 1HB ARG 75 HB2 ARG 75 -9.280 7.956 3.229 371 2HB ARG 75 HB3 ARG 75 -8.474 8.985 2.057 372 1HG ARG 75 HG2 ARG 75 -10.691 9.672 2.008 373 2HG ARG 75 HG3 ARG 75 -10.538 8.627 0.596 374 1HD ARG 75 HD2 ARG 75 -11.637 6.835 1.700 375 2HD ARG 75 HD3 ARG 75 -11.540 7.654 3.261 376 HE ARG 75 HE ARG 75 -13.328 8.361 1.032 377 1HH1 ARG 75 HH1 ARG 75 -12.406 8.613 4.412 378 2HH1 ARG 75 HH1 ARG 75 -13.805 9.545 4.854 379 1HH2 ARG 75 HH2 ARG 75 -15.149 9.616 1.614 380 2HH2 ARG 75 HH2 ARG 75 -15.349 10.140 3.261 381 H GLU 76 HN GLU 76 -6.320 7.377 0.361 382 HA GLU 76 HA GLU 76 -7.156 8.586 -2.052 383 1HB GLU 76 HB2 GLU 76 -4.806 8.556 -1.011 384 2HB GLU 76 HB3 GLU 76 -4.621 6.972 -1.759 385 1HG GLU 76 HG2 GLU 76 -3.641 8.578 -3.220 386 2HG GLU 76 HG3 GLU 76 -5.151 8.025 -3.947 387 H TYR 77 HN TYR 77 -6.913 5.300 -1.063 388 HA TYR 77 HA TYR 77 -6.743 4.269 -3.770 389 1HB TYR 77 HB2 TYR 77 -6.915 2.798 -1.134 390 2HB TYR 77 HB3 TYR 77 -6.535 2.086 -2.699 391 HD1 TYR 77 HD1 TYR 77 -4.606 3.819 -3.901 392 HD2 TYR 77 HD2 TYR 77 -5.042 2.774 0.198 393 HE1 TYR 77 HE1 TYR 77 -2.221 4.277 -3.538 394 HE2 TYR 77 HE2 TYR 77 -2.659 3.230 0.572 395 HH TYR 77 HH TYR 77 -0.725 4.872 -1.688 396 H PHE 78 HN PHE 78 -8.988 4.162 -1.054 397 HA PHE 78 HA PHE 78 -11.130 3.592 -2.964 398 1HB PHE 78 HB2 PHE 78 -12.586 3.328 -0.944 399 2HB PHE 78 HB3 PHE 78 -11.298 2.146 -1.058 400 HD1 PHE 78 HD1 PHE 78 -9.087 2.859 0.241 401 HD2 PHE 78 HD2 PHE 78 -12.999 4.278 1.107 402 HE1 PHE 78 HE1 PHE 78 -8.375 3.424 2.524 403 HE2 PHE 78 HE2 PHE 78 -12.293 4.843 3.390 404 HZ PHE 78 HZ PHE 78 -10.023 4.389 4.122 405 HA PRO 79 HA PRO 79 -10.662 7.938 -3.675 406 1HB PRO 79 HB2 PRO 79 -13.538 7.402 -4.332 407 2HB PRO 79 HB3 PRO 79 -12.358 8.413 -5.181 408 1HG PRO 79 HG2 PRO 79 -12.907 5.876 -5.943 409 2HG PRO 79 HG3 PRO 79 -11.317 6.625 -6.153 410 1HD PRO 79 HD2 PRO 79 -12.075 4.434 -4.396 411 2HD PRO 79 HD3 PRO 79 -10.458 5.059 -4.770 412 H ALA 80 HN ALA 80 -10.875 9.678 -2.569 413 HA ALA 80 HA ALA 80 -11.911 9.834 -0.023 414 1HB ALA 80 HB1 ALA 80 -10.195 11.302 -1.028 415 2HB ALA 80 HB2 ALA 80 -11.474 12.134 -1.911 416 3HB ALA 80 HB3 ALA 80 -11.447 12.187 -0.148 417 H ASN 81 HN ASN 81 -13.580 10.350 -3.052 418 HA ASN 81 HA ASN 81 -15.876 11.611 -1.815 419 1HB ASN 81 HB2 ASN 81 -15.364 10.585 -4.612 420 2HB ASN 81 HB3 ASN 81 -16.896 11.298 -4.114 421 1HD2 ASN 81 HD21 ASN 81 -14.833 12.140 -6.073 422 2HD2 ASN 81 HD22 ASN 81 -14.439 13.771 -5.637 423 H TYR 82 HN TYR 82 -14.747 8.487 -2.012 424 HA TYR 82 HA TYR 82 -17.339 7.168 -1.957 425 1HB TYR 82 HB2 TYR 82 -15.595 5.931 -3.047 426 2HB TYR 82 HB3 TYR 82 -14.474 6.214 -1.723 427 HD1 TYR 82 HD1 TYR 82 -17.639 4.433 -2.576 428 HD2 TYR 82 HD2 TYR 82 -14.238 4.645 -0.020 429 HE1 TYR 82 HE1 TYR 82 -18.241 2.258 -1.596 430 HE2 TYR 82 HE2 TYR 82 -14.834 2.473 0.961 431 HH TYR 82 HH TYR 82 -17.195 0.416 -0.414 432 H SER 83 HN SER 83 -18.397 6.577 -0.102 433 HA SER 83 HA SER 83 -17.477 7.610 2.393 434 1HB SER 83 HB2 SER 83 -19.908 7.308 1.751 435 2HB SER 83 HB3 SER 83 -19.677 5.574 1.979 436 HG SER 83 HG SER 83 -20.330 6.172 3.935 437 H ALA 84 HN ALA 84 -16.024 6.721 3.663 438 HA ALA 84 HA ALA 84 -14.642 4.409 2.873 439 1HB ALA 84 HB1 ALA 84 -14.476 5.890 5.486 440 2HB ALA 84 HB2 ALA 84 -13.273 4.776 4.832 441 3HB ALA 84 HB3 ALA 84 -13.599 6.301 4.009 442 H HIS 85 HN HIS 85 -17.328 4.816 4.960 443 HA HIS 85 HA HIS 85 -18.619 3.372 6.146 444 1HB HIS 85 HB2 HIS 85 -16.968 1.301 4.688 445 2HB HIS 85 HB3 HIS 85 -18.307 0.896 5.755 446 HD1 HIS 85 HD1 HIS 85 -17.605 1.380 2.299 447 HD2 HIS 85 HD2 HIS 85 -20.801 2.314 4.793 448 HE1 HIS 85 HE1 HIS 85 -19.577 1.716 0.780 449 HE2 HIS 85 HE2 HIS 85 -21.523 2.172 2.310 450 H GLY 86 HN GLY 86 -16.007 4.407 7.071 451 1HA GLY 86 HA1 GLY 86 -15.069 4.341 9.215 452 2HA GLY 86 HA2 GLY 86 -15.798 2.762 9.463 453 H ARG 87 HN ARG 87 -14.885 1.167 7.615 454 HA ARG 87 HA ARG 87 -11.986 1.499 7.483 455 1HB ARG 87 HB2 ARG 87 -11.798 -0.982 8.111 456 2HB ARG 87 HB3 ARG 87 -12.097 0.164 9.409 457 1HG ARG 87 HG2 ARG 87 -14.480 -0.413 9.359 458 2HG ARG 87 HG3 ARG 87 -14.156 -1.589 8.082 459 1HD ARG 87 HD2 ARG 87 -12.817 -2.917 9.526 460 2HD ARG 87 HD3 ARG 87 -12.784 -1.656 10.759 461 HE ARG 87 HE ARG 87 -15.412 -2.207 10.565 462 1HH1 ARG 87 HH1 ARG 87 -12.587 -4.252 10.939 463 2HH1 ARG 87 HH1 ARG 87 -13.425 -5.456 11.875 464 1HH2 ARG 87 HH2 ARG 87 -16.520 -3.794 11.811 465 2HH2 ARG 87 HH2 ARG 87 -15.653 -5.194 12.367 466 HA PRO 88 HA PRO 88 -12.728 0.346 3.304 467 1HB PRO 88 HB2 PRO 88 -10.057 -0.427 2.861 468 2HB PRO 88 HB3 PRO 88 -10.761 1.157 2.552 469 1HG PRO 88 HG2 PRO 88 -9.017 0.271 4.726 470 2HG PRO 88 HG3 PRO 88 -9.345 1.915 4.149 471 1HD PRO 88 HD2 PRO 88 -10.284 0.808 6.509 472 2HD PRO 88 HD3 PRO 88 -10.963 2.229 5.699 473 H ASN 89 HN ASN 89 -12.912 -1.470 2.004 474 HA ASN 89 HA ASN 89 -12.034 -4.050 3.126 475 1HB ASN 89 HB2 ASN 89 -14.448 -4.009 2.942 476 2HB ASN 89 HB3 ASN 89 -14.354 -3.420 1.283 477 1HD2 ASN 89 HD21 ASN 89 -14.054 -4.824 -0.355 478 2HD2 ASN 89 HD22 ASN 89 -14.003 -6.541 -0.160 479 H ILE 90 HN ILE 90 -10.301 -4.841 2.107 480 HA ILE 90 HA ILE 90 -9.040 -3.304 0.179 481 HB ILE 90 HB ILE 90 -7.851 -4.738 1.770 482 1HG1 ILE 90 HG12 ILE 90 -6.941 -5.561 -0.941 483 2HG1 ILE 90 HG13 ILE 90 -7.012 -3.848 -0.556 484 1HG2 ILE 90 HG21 ILE 90 -8.638 -7.008 -0.054 485 2HG2 ILE 90 HG22 ILE 90 -7.464 -7.103 1.261 486 3HG2 ILE 90 HG23 ILE 90 -9.165 -6.780 1.615 487 1HD1 ILE 90 HD11 ILE 90 -5.523 -4.202 1.322 488 2HD1 ILE 90 HD12 ILE 90 -5.470 -5.929 0.965 489 3HD1 ILE 90 HD13 ILE 90 -4.800 -4.770 -0.183 490 H LYS 91 HN LYS 91 -10.691 -6.417 -0.333 491 HA LYS 91 HA LYS 91 -10.122 -6.677 -3.026 492 1HB LYS 91 HB2 LYS 91 -12.390 -7.567 -1.319 493 2HB LYS 91 HB3 LYS 91 -12.523 -7.764 -3.060 494 1HG LYS 91 HG2 LYS 91 -10.293 -8.834 -1.360 495 2HG LYS 91 HG3 LYS 91 -11.674 -9.760 -1.933 496 1HD LYS 91 HD2 LYS 91 -9.693 -8.377 -3.745 497 2HD LYS 91 HD3 LYS 91 -9.588 -10.068 -3.267 498 1HE LYS 91 HE2 LYS 91 -10.592 -10.051 -5.408 499 2HE LYS 91 HE3 LYS 91 -11.888 -10.375 -4.263 500 1HZ LYS 91 HZ1 LYS 91 -11.339 -7.641 -5.258 501 2HZ LYS 91 HZ2 LYS 91 -12.752 -8.233 -4.527 502 3HZ LYS 91 HZ3 LYS 91 -12.349 -8.706 -6.103 503 H ASP 92 HN ASP 92 -12.308 -4.394 -1.563 504 HA ASP 92 HA ASP 92 -13.373 -3.726 -4.234 505 1HB ASP 92 HB2 ASP 92 -14.541 -3.407 -1.480 506 2HB ASP 92 HB3 ASP 92 -15.123 -2.429 -2.826 507 H VAL 93 HN VAL 93 -10.922 -2.873 -2.505 508 HA VAL 93 HA VAL 93 -11.282 0.038 -2.844 509 HB VAL 93 HB VAL 93 -9.565 -1.477 -0.867 510 1HG1 VAL 93 HG11 VAL 93 -8.784 0.710 -0.084 511 2HG1 VAL 93 HG12 VAL 93 -8.288 0.384 -1.746 512 3HG1 VAL 93 HG13 VAL 93 -9.631 1.480 -1.429 513 1HG2 VAL 93 HG21 VAL 93 -10.863 -0.106 0.772 514 2HG2 VAL 93 HG22 VAL 93 -11.884 0.417 -0.567 515 3HG2 VAL 93 HG23 VAL 93 -11.819 -1.286 -0.124 516 H LEU 94 HN LEU 94 -8.879 -2.563 -2.867 517 HA LEU 94 HA LEU 94 -7.330 -1.027 -4.827 518 1HB LEU 94 HB2 LEU 94 -6.521 -3.476 -3.266 519 2HB LEU 94 HB3 LEU 94 -5.492 -2.552 -4.334 520 HG LEU 94 HG LEU 94 -6.644 -1.561 -1.724 521 1HD1 LEU 94 HD11 LEU 94 -3.841 -2.357 -2.495 522 2HD1 LEU 94 HD12 LEU 94 -4.326 -1.652 -0.952 523 3HD1 LEU 94 HD13 LEU 94 -4.917 -3.247 -1.417 524 1HD2 LEU 94 HD21 LEU 94 -5.191 0.363 -2.059 525 2HD2 LEU 94 HD22 LEU 94 -4.697 -0.272 -3.629 526 3HD2 LEU 94 HD23 LEU 94 -6.369 0.227 -3.365 527 H ARG 95 HN ARG 95 -6.602 -2.053 -6.698 528 HA ARG 95 HA ARG 95 -7.559 -4.717 -7.323 529 1HB ARG 95 HB2 ARG 95 -8.496 -4.034 -9.498 530 2HB ARG 95 HB3 ARG 95 -9.384 -3.336 -8.154 531 1HG ARG 95 HG2 ARG 95 -7.207 -1.754 -9.418 532 2HG ARG 95 HG3 ARG 95 -8.760 -1.896 -10.246 533 1HD ARG 95 HD2 ARG 95 -8.364 -0.923 -7.418 534 2HD ARG 95 HD3 ARG 95 -8.600 0.116 -8.826 535 HE ARG 95 HE ARG 95 -10.700 -1.792 -8.566 536 1HH1 ARG 95 HH1 ARG 95 -9.495 1.230 -7.273 537 2HH1 ARG 95 HH1 ARG 95 -11.068 1.787 -6.780 538 1HH2 ARG 95 HH2 ARG 95 -12.759 -1.066 -7.928 539 2HH2 ARG 95 HH2 ARG 95 -12.924 0.486 -7.160 540 H GLU 96 HN GLU 96 -6.444 -5.643 -9.114 541 HA GLU 96 HA GLU 96 -3.700 -5.043 -9.036 542 1HB GLU 96 HB2 GLU 96 -5.199 -6.748 -11.034 543 2HB GLU 96 HB3 GLU 96 -3.462 -6.785 -10.735 544 1HG GLU 96 HG2 GLU 96 -3.744 -7.708 -8.589 545 2HG GLU 96 HG3 GLU 96 -5.471 -7.360 -8.578 546 H GLY 97 HN GLY 97 -2.611 -3.526 -10.047 547 1HA GLY 97 HA1 GLY 97 -2.020 -2.421 -12.138 548 2HA GLY 97 HA2 GLY 97 -3.732 -2.402 -12.539 549 H GLN 98 HN GLN 98 -4.190 -1.696 -9.561 550 HA GLN 98 HA GLN 98 -4.133 1.161 -9.936 551 1HB GLN 98 HB2 GLN 98 -5.952 -0.106 -8.705 552 2HB GLN 98 HB3 GLN 98 -4.794 -0.346 -7.403 553 1HG GLN 98 HG2 GLN 98 -4.697 1.948 -6.922 554 2HG GLN 98 HG3 GLN 98 -5.525 2.378 -8.417 555 1HE2 GLN 98 HE21 GLN 98 -5.899 1.073 -5.215 556 2HE2 GLN 98 HE22 GLN 98 -7.617 1.253 -5.123 557 H GLU 99 HN GLU 99 -2.741 2.610 -9.030 558 HA GLU 99 HA GLU 99 -0.251 1.509 -8.040 559 1HB GLU 99 HB2 GLU 99 0.600 3.803 -8.255 560 2HB GLU 99 HB3 GLU 99 -0.138 3.238 -9.753 561 1HG GLU 99 HG2 GLU 99 -2.185 4.452 -9.165 562 2HG GLU 99 HG3 GLU 99 -1.384 5.081 -7.712 563 H VAL 100 HN VAL 100 0.800 2.282 -6.186 564 HA VAL 100 HA VAL 100 -0.806 3.782 -4.248 565 HB VAL 100 HB VAL 100 -0.023 2.373 -2.424 566 1HG1 VAL 100 HG11 VAL 100 -1.368 0.360 -2.882 567 2HG1 VAL 100 HG12 VAL 100 -2.177 1.866 -3.323 568 3HG1 VAL 100 HG13 VAL 100 -1.465 0.845 -4.574 569 1HG2 VAL 100 HG21 VAL 100 1.081 0.236 -2.833 570 2HG2 VAL 100 HG22 VAL 100 1.151 0.603 -4.556 571 3HG2 VAL 100 HG23 VAL 100 2.057 1.591 -3.408 572 H ILE 101 HN ILE 101 0.429 5.065 -2.832 573 HA ILE 101 HA ILE 101 3.287 5.264 -3.499 574 HB ILE 101 HB ILE 101 1.936 7.183 -1.644 575 1HG1 ILE 101 HG12 ILE 101 0.389 7.020 -3.554 576 2HG1 ILE 101 HG13 ILE 101 1.192 8.582 -3.507 577 1HG2 ILE 101 HG21 ILE 101 3.526 8.756 -2.692 578 2HG2 ILE 101 HG22 ILE 101 4.324 7.357 -1.971 579 3HG2 ILE 101 HG23 ILE 101 4.107 7.444 -3.718 580 1HD1 ILE 101 HD11 ILE 101 1.019 7.713 -5.771 581 2HD1 ILE 101 HD12 ILE 101 2.702 7.868 -5.267 582 3HD1 ILE 101 HD13 ILE 101 1.933 6.282 -5.292 583 H VAL 102 HN VAL 102 4.534 4.055 -2.193 584 HA VAL 102 HA VAL 102 3.806 3.785 0.637 585 HB VAL 102 HB VAL 102 4.219 1.272 0.392 586 1HG1 VAL 102 HG11 VAL 102 2.038 2.184 0.929 587 2HG1 VAL 102 HG12 VAL 102 1.730 2.516 -0.779 588 3HG1 VAL 102 HG13 VAL 102 1.864 0.850 -0.215 589 1HG2 VAL 102 HG21 VAL 102 3.626 0.339 -1.824 590 2HG2 VAL 102 HG22 VAL 102 3.629 1.970 -2.487 591 3HG2 VAL 102 HG23 VAL 102 5.120 1.271 -1.857 592 H GLN 103 HN GLN 103 5.488 3.706 1.925 593 HA GLN 103 HA GLN 103 8.132 3.190 0.760 594 1HB GLN 103 HB2 GLN 103 9.031 4.385 2.742 595 2HB GLN 103 HB3 GLN 103 7.989 5.400 1.752 596 1HG GLN 103 HG2 GLN 103 6.138 4.921 3.342 597 2HG GLN 103 HG3 GLN 103 7.305 4.086 4.365 598 1HE2 GLN 103 HE21 GLN 103 6.233 7.148 3.146 599 2HE2 GLN 103 HE22 GLN 103 7.105 8.132 4.273 600 H ILE 104 HN ILE 104 9.434 1.649 1.691 601 HA ILE 104 HA ILE 104 8.008 -0.482 2.962 602 HB ILE 104 HB ILE 104 10.851 -0.184 2.037 603 1HG1 ILE 104 HG12 ILE 104 9.192 -0.496 0.303 604 2HG1 ILE 104 HG13 ILE 104 10.137 -1.972 0.470 605 1HG2 ILE 104 HG21 ILE 104 9.640 -2.582 3.404 606 2HG2 ILE 104 HG22 ILE 104 11.200 -2.550 2.583 607 3HG2 ILE 104 HG23 ILE 104 10.943 -1.567 4.023 608 1HD1 ILE 104 HD11 ILE 104 8.319 -2.977 1.773 609 2HD1 ILE 104 HD12 ILE 104 7.376 -1.500 1.582 610 3HD1 ILE 104 HD13 ILE 104 7.782 -2.475 0.169 611 H ASP 105 HN ASP 105 7.458 -0.250 4.965 612 HA ASP 105 HA ASP 105 9.089 1.025 6.952 613 1HB ASP 105 HB2 ASP 105 6.649 1.149 7.081 614 2HB ASP 105 HB3 ASP 105 6.548 -0.607 7.183 615 H LYS 106 HN LYS 106 8.146 -2.274 6.130 616 HA LYS 106 HA LYS 106 10.282 -3.227 7.895 617 1HB LYS 106 HB2 LYS 106 7.683 -4.615 7.223 618 2HB LYS 106 HB3 LYS 106 8.981 -5.310 8.187 619 1HG LYS 106 HG2 LYS 106 8.718 -3.599 9.861 620 2HG LYS 106 HG3 LYS 106 7.510 -2.780 8.878 621 1HD LYS 106 HD2 LYS 106 6.043 -4.735 9.085 622 2HD LYS 106 HD3 LYS 106 7.252 -5.518 10.108 623 1HE LYS 106 HE2 LYS 106 5.522 -4.488 11.473 624 2HE LYS 106 HE3 LYS 106 7.068 -3.682 11.721 625 1HZ LYS 106 HZ1 LYS 106 4.822 -2.706 10.037 626 2HZ LYS 106 HZ2 LYS 106 6.335 -1.943 10.166 627 3HZ LYS 106 HZ3 LYS 106 5.322 -2.056 11.520 628 H GLU 107 HN GLU 107 11.608 -4.884 7.129 629 HA GLU 107 HA GLU 107 12.248 -4.140 4.442 630 1HB GLU 107 HB2 GLU 107 13.749 -5.830 6.435 631 2HB GLU 107 HB3 GLU 107 14.403 -5.069 5.000 632 1HG GLU 107 HG2 GLU 107 14.173 -2.906 5.903 633 2HG GLU 107 HG3 GLU 107 13.150 -3.498 7.214 634 H GLU 108 HN GLU 108 12.600 -5.447 2.726 635 HA GLU 108 HA GLU 108 11.076 -7.850 2.587 636 1HB GLU 108 HB2 GLU 108 11.374 -6.285 0.691 637 2HB GLU 108 HB3 GLU 108 13.074 -6.721 0.620 638 1HG GLU 108 HG2 GLU 108 12.514 -8.989 0.046 639 2HG GLU 108 HG3 GLU 108 10.795 -8.643 0.230 640 H ARG 109 HN ARG 109 11.908 -9.284 4.044 641 HA ARG 109 HA ARG 109 14.688 -10.160 3.673 642 1HB ARG 109 HB2 ARG 109 12.805 -10.789 5.948 643 2HB ARG 109 HB3 ARG 109 14.534 -11.102 5.889 644 1HG ARG 109 HG2 ARG 109 15.061 -9.004 6.464 645 2HG ARG 109 HG3 ARG 109 13.772 -8.309 5.479 646 1HD ARG 109 HD2 ARG 109 12.127 -8.925 7.150 647 2HD ARG 109 HD3 ARG 109 13.386 -9.665 8.141 648 HE ARG 109 HE ARG 109 14.294 -7.159 7.912 649 1HH1 ARG 109 HH1 ARG 109 11.143 -8.437 8.731 650 2HH1 ARG 109 HH1 ARG 109 10.688 -7.076 9.715 651 1HH2 ARG 109 HH2 ARG 109 13.723 -5.348 9.196 652 2HH2 ARG 109 HH2 ARG 109 12.175 -5.318 9.997 653 H GLY 110 HN GLY 110 11.970 -11.964 5.027 654 1HA GLY 110 HA1 GLY 110 11.710 -13.677 2.740 655 2HA GLY 110 HA2 GLY 110 12.621 -14.418 4.043 656 H ASN 111 HN ASN 111 11.275 -13.480 6.268 657 HA ASN 111 HA ASN 111 9.218 -15.387 6.419 658 1HB ASN 111 HB2 ASN 111 10.384 -14.757 8.409 659 2HB ASN 111 HB3 ASN 111 9.927 -13.069 8.217 660 1HD2 ASN 111 HD21 ASN 111 8.825 -16.255 9.109 661 2HD2 ASN 111 HD22 ASN 111 7.386 -15.738 9.915 662 H LYS 112 HN LYS 112 8.935 -11.801 6.354 663 HA LYS 112 HA LYS 112 6.328 -12.246 5.081 664 1HB LYS 112 HB2 LYS 112 7.066 -9.996 6.953 665 2HB LYS 112 HB3 LYS 112 5.588 -10.050 6.001 666 1HG LYS 112 HG2 LYS 112 5.006 -12.179 7.157 667 2HG LYS 112 HG3 LYS 112 6.410 -11.932 8.197 668 1HD LYS 112 HD2 LYS 112 4.488 -11.124 9.360 669 2HD LYS 112 HD3 LYS 112 5.440 -9.727 8.853 670 1HE LYS 112 HE2 LYS 112 3.067 -9.337 8.473 671 2HE LYS 112 HE3 LYS 112 3.942 -9.401 6.945 672 1HZ LYS 112 HZ1 LYS 112 1.811 -10.632 6.933 673 2HZ LYS 112 HZ2 LYS 112 2.444 -11.694 8.097 674 3HZ LYS 112 HZ3 LYS 112 3.149 -11.606 6.557 675 H GLY 113 HN GLY 113 9.170 -10.228 5.356 676 1HA GLY 113 HA1 GLY 113 10.442 -9.481 3.560 677 2HA GLY 113 HA2 GLY 113 9.120 -9.897 2.481 678 H ALA 114 HN ALA 114 8.521 -8.178 1.457 679 HA ALA 114 HA ALA 114 9.127 -5.558 2.429 680 1HB ALA 114 HB1 ALA 114 8.257 -4.835 0.239 681 2HB ALA 114 HB2 ALA 114 9.469 -6.111 0.109 682 3HB ALA 114 HB3 ALA 114 7.762 -6.500 -0.085 683 H ALA 115 HN ALA 115 7.866 -4.708 3.961 684 HA ALA 115 HA ALA 115 4.951 -5.022 3.727 685 1HB ALA 115 HB1 ALA 115 5.943 -5.680 5.878 686 2HB ALA 115 HB2 ALA 115 6.569 -4.042 6.073 687 3HB ALA 115 HB3 ALA 115 4.830 -4.322 6.049 688 H LEU 116 HN LEU 116 3.762 -3.362 3.048 689 HA LEU 116 HA LEU 116 5.080 -0.795 2.633 690 1HB LEU 116 HB2 LEU 116 2.257 -1.530 1.889 691 2HB LEU 116 HB3 LEU 116 3.217 -0.194 1.275 692 HG LEU 116 HG LEU 116 3.809 -3.105 0.729 693 1HD1 LEU 116 HD11 LEU 116 2.952 -2.593 -1.532 694 2HD1 LEU 116 HD12 LEU 116 1.708 -2.503 -0.286 695 3HD1 LEU 116 HD13 LEU 116 2.409 -1.024 -0.940 696 1HD2 LEU 116 HD21 LEU 116 5.783 -1.747 0.576 697 2HD2 LEU 116 HD22 LEU 116 5.241 -2.146 -1.052 698 3HD2 LEU 116 HD23 LEU 116 4.933 -0.541 -0.388 699 H THR 117 HN THR 117 4.321 1.127 3.473 700 HA THR 117 HA THR 117 2.411 0.888 5.703 701 HB THR 117 HB THR 117 4.768 1.596 6.270 702 HG1 THR 117 HG1 THR 117 4.005 2.941 7.799 703 1HG2 THR 117 HG21 THR 117 5.256 2.910 4.296 704 2HG2 THR 117 HG22 THR 117 5.400 3.917 5.740 705 3HG2 THR 117 HG23 THR 117 3.973 4.045 4.710 706 H THR 118 HN THR 118 1.300 3.106 6.087 707 HA THR 118 HA THR 118 0.811 4.457 3.528 708 HB THR 118 HB THR 118 -1.494 4.981 4.515 709 HG1 THR 118 HG1 THR 118 -2.166 3.195 5.953 710 1HG2 THR 118 HG21 THR 118 -1.149 3.518 2.601 711 2HG2 THR 118 HG22 THR 118 -2.402 2.855 3.652 712 3HG2 THR 118 HG23 THR 118 -0.776 2.170 3.673 713 H PHE 119 HN PHE 119 2.657 4.931 5.787 714 HA PHE 119 HA PHE 119 1.856 7.435 6.950 715 1HB PHE 119 HB2 PHE 119 3.427 5.952 8.102 716 2HB PHE 119 HB3 PHE 119 4.546 6.046 6.751 717 HD1 PHE 119 HD1 PHE 119 2.707 8.516 8.878 718 HD2 PHE 119 HD2 PHE 119 6.410 7.262 7.198 719 HE1 PHE 119 HE1 PHE 119 3.832 10.430 9.936 720 HE2 PHE 119 HE2 PHE 119 7.541 9.175 8.253 721 HZ PHE 119 HZ PHE 119 6.252 10.758 9.622 722 H ILE 120 HN ILE 120 1.357 7.569 4.327 723 HA ILE 120 HA ILE 120 3.427 9.339 3.224 724 HB ILE 120 HB ILE 120 1.785 7.361 1.620 725 1HG1 ILE 120 HG12 ILE 120 4.432 6.642 1.325 726 2HG1 ILE 120 HG13 ILE 120 4.324 7.045 3.036 727 1HG2 ILE 120 HG21 ILE 120 2.425 9.331 0.353 728 2HG2 ILE 120 HG22 ILE 120 4.113 9.087 0.808 729 3HG2 ILE 120 HG23 ILE 120 3.293 7.901 -0.208 730 1HD1 ILE 120 HD11 ILE 120 2.506 5.461 3.306 731 2HD1 ILE 120 HD12 ILE 120 2.562 5.091 1.583 732 3HD1 ILE 120 HD13 ILE 120 3.928 4.672 2.620 733 H SER 121 HN SER 121 2.504 10.844 1.587 734 HA SER 121 HA SER 121 0.186 12.114 2.609 735 1HB SER 121 HB2 SER 121 1.371 12.769 -0.067 736 2HB SER 121 HB3 SER 121 0.750 13.857 1.176 737 HG SER 121 HG SER 121 2.702 13.987 1.938 738 H LEU 122 HN LEU 122 -1.089 9.999 2.246 739 HA LEU 122 HA LEU 122 -2.444 10.104 -0.361 740 1HB LEU 122 HB2 LEU 122 -2.219 7.806 1.590 741 2HB LEU 122 HB3 LEU 122 -3.145 7.780 0.102 742 HG LEU 122 HG LEU 122 -0.330 8.472 -0.300 743 1HD1 LEU 122 HD11 LEU 122 0.492 6.198 0.084 744 2HD1 LEU 122 HD12 LEU 122 -0.042 6.964 1.582 745 3HD1 LEU 122 HD13 LEU 122 -1.063 5.759 0.795 746 1HD2 LEU 122 HD21 LEU 122 -2.081 6.291 -1.449 747 2HD2 LEU 122 HD22 LEU 122 -1.944 7.930 -2.092 748 3HD2 LEU 122 HD23 LEU 122 -0.541 6.861 -2.094 749 H ALA 123 HN ALA 123 -4.782 9.352 -0.119 750 HA ALA 123 HA ALA 123 -6.832 9.278 0.860 751 1HB ALA 123 HB1 ALA 123 -7.127 9.375 3.262 752 2HB ALA 123 HB2 ALA 123 -5.771 8.318 2.868 753 3HB ALA 123 HB3 ALA 123 -5.472 9.950 3.471 754 H GLY 124 HN GLY 124 -6.352 11.301 -0.622 755 1HA GLY 124 HA1 GLY 124 -7.841 13.237 -0.768 756 2HA GLY 124 HA2 GLY 124 -7.418 13.600 0.900 757 H SER 125 HN SER 125 -5.329 12.694 -1.812 758 HA SER 125 HA SER 125 -3.885 15.221 -1.400 759 1HB SER 125 HB2 SER 125 -3.024 12.460 -1.893 760 2HB SER 125 HB3 SER 125 -2.203 13.652 -2.910 761 HG SER 125 HG SER 125 -1.404 13.092 -0.620 Start of MODEL 5 1 1H GLY 30 H1 GLY 30 8.911 22.427 3.331 2 2H GLY 30 H2 GLY 30 8.113 23.303 4.544 3 3H GLY 30 H3 GLY 30 7.414 23.149 3.007 4 1HA GLY 30 HA2 GLY 30 7.919 20.899 4.874 5 2HA GLY 30 HA1 GLY 30 6.362 21.685 4.654 6 H SER 31 HN SER 31 8.194 21.532 1.792 7 HA SER 31 HA SER 31 6.263 19.862 0.557 8 1HB SER 31 HB2 SER 31 7.971 19.994 -1.387 9 2HB SER 31 HB3 SER 31 7.188 21.483 -0.859 10 HG SER 31 HG SER 31 9.837 20.631 -0.525 11 H HIS 32 HN HIS 32 6.238 17.740 0.241 12 HA HIS 32 HA HIS 32 8.449 16.216 1.416 13 1HB HIS 32 HB2 HIS 32 5.589 15.418 0.835 14 2HB HIS 32 HB3 HIS 32 6.809 14.345 1.516 15 HD1 HIS 32 HD1 HIS 32 4.111 16.396 2.547 16 HD2 HIS 32 HD2 HIS 32 7.932 15.661 4.031 17 HE1 HIS 32 HE1 HIS 32 4.048 17.080 4.963 18 HE2 HIS 32 HE2 HIS 32 6.414 16.818 5.785 19 H MET 33 HN MET 33 9.129 17.149 -0.991 20 HA MET 33 HA MET 33 8.762 15.005 -2.915 21 1HB MET 33 HB2 MET 33 10.454 17.510 -2.987 22 2HB MET 33 HB3 MET 33 10.392 16.334 -4.293 23 1HG MET 33 HG2 MET 33 8.000 16.747 -4.547 24 2HG MET 33 HG3 MET 33 8.068 17.925 -3.240 25 1HE MET 33 HE1 MET 33 9.317 20.254 -3.395 26 2HE MET 33 HE2 MET 33 10.815 19.400 -3.767 27 3HE MET 33 HE3 MET 33 10.295 20.747 -4.778 28 H LEU 34 HN LEU 34 10.668 15.760 -0.291 29 HA LEU 34 HA LEU 34 12.642 13.701 -0.981 30 1HB LEU 34 HB2 LEU 34 12.663 15.886 1.100 31 2HB LEU 34 HB3 LEU 34 13.773 14.536 1.165 32 HG LEU 34 HG LEU 34 14.932 16.384 0.221 33 1HD1 LEU 34 HD11 LEU 34 15.373 14.193 -0.779 34 2HD1 LEU 34 HD12 LEU 34 14.161 14.523 -2.016 35 3HD1 LEU 34 HD13 LEU 34 15.617 15.512 -1.925 36 1HD2 LEU 34 HD21 LEU 34 12.707 16.601 -1.800 37 2HD2 LEU 34 HD22 LEU 34 13.017 17.719 -0.472 38 3HD2 LEU 34 HD23 LEU 34 14.188 17.560 -1.781 39 H GLU 35 HN GLU 35 13.281 12.424 1.124 40 HA GLU 35 HA GLU 35 11.023 10.923 1.873 41 1HB GLU 35 HB2 GLU 35 13.751 11.091 3.162 42 2HB GLU 35 HB3 GLU 35 12.556 9.843 3.494 43 1HG GLU 35 HG2 GLU 35 12.746 8.938 1.334 44 2HG GLU 35 HG3 GLU 35 13.611 10.354 0.736 45 H GLN 36 HN GLN 36 13.071 12.966 3.967 46 HA GLN 36 HA GLN 36 12.621 14.234 5.793 47 1HB GLN 36 HB2 GLN 36 9.727 14.127 4.904 48 2HB GLN 36 HB3 GLN 36 10.420 15.258 6.056 49 1HG GLN 36 HG2 GLN 36 11.163 15.083 3.145 50 2HG GLN 36 HG3 GLN 36 10.044 16.252 3.842 51 1HE2 GLN 36 HE21 GLN 36 13.362 15.252 3.588 52 2HE2 GLN 36 HE22 GLN 36 14.061 16.718 4.184 53 H LYS 37 HN LYS 37 13.252 12.222 6.878 54 HA LYS 37 HA LYS 37 13.051 10.650 8.498 55 1HB LYS 37 HB2 LYS 37 10.533 12.188 9.157 56 2HB LYS 37 HB3 LYS 37 11.239 10.943 10.178 57 1HG LYS 37 HG2 LYS 37 13.289 12.294 10.357 58 2HG LYS 37 HG3 LYS 37 12.505 13.560 9.411 59 1HD LYS 37 HD2 LYS 37 10.822 13.850 11.112 60 2HD LYS 37 HD3 LYS 37 11.459 12.480 12.026 61 1HE LYS 37 HE2 LYS 37 13.589 13.699 12.295 62 2HE LYS 37 HE3 LYS 37 12.876 15.082 11.466 63 1HZ LYS 37 HZ1 LYS 37 11.267 15.307 13.208 64 2HZ LYS 37 HZ2 LYS 37 12.818 15.269 13.901 65 3HZ LYS 37 HZ3 LYS 37 11.823 13.898 13.973 66 H LYS 38 HN LYS 38 12.356 9.822 6.062 67 HA LYS 38 HA LYS 38 9.992 8.127 6.480 68 1HB LYS 38 HB2 LYS 38 9.387 9.994 5.041 69 2HB LYS 38 HB3 LYS 38 10.757 9.665 3.995 70 1HG LYS 38 HG2 LYS 38 9.775 7.593 3.266 71 2HG LYS 38 HG3 LYS 38 8.450 7.777 4.421 72 1HD LYS 38 HD2 LYS 38 9.013 9.792 2.257 73 2HD LYS 38 HD3 LYS 38 7.954 8.405 2.011 74 1HE LYS 38 HE2 LYS 38 6.626 10.343 2.569 75 2HE LYS 38 HE3 LYS 38 6.548 9.179 3.888 76 1HZ LYS 38 HZ1 LYS 38 8.325 11.562 3.850 77 2HZ LYS 38 HZ2 LYS 38 8.094 10.494 5.139 78 3HZ LYS 38 HZ3 LYS 38 6.824 11.494 4.639 79 H ALA 39 HN ALA 39 10.194 6.050 5.806 80 HA ALA 39 HA ALA 39 12.676 5.010 4.879 81 1HB ALA 39 HB1 ALA 39 9.918 3.780 4.886 82 2HB ALA 39 HB2 ALA 39 11.424 2.913 4.588 83 3HB ALA 39 HB3 ALA 39 11.120 3.637 6.168 84 H ASN 40 HN ASN 40 12.925 3.938 2.753 85 HA ASN 40 HA ASN 40 12.566 5.734 0.683 86 1HB ASN 40 HB2 ASN 40 14.162 3.747 0.814 87 2HB ASN 40 HB3 ASN 40 12.808 2.767 0.267 88 1HD2 ASN 40 HD21 ASN 40 15.416 3.440 -0.977 89 2HD2 ASN 40 HD22 ASN 40 15.029 4.096 -2.529 90 H ILE 41 HN ILE 41 10.886 6.335 -0.423 91 HA ILE 41 HA ILE 41 8.368 4.916 -0.126 92 HB ILE 41 HB ILE 41 8.492 7.354 0.293 93 1HG1 ILE 41 HG12 ILE 41 6.587 8.007 -1.314 94 2HG1 ILE 41 HG13 ILE 41 6.722 6.361 -1.925 95 1HG2 ILE 41 HG21 ILE 41 10.168 7.995 -1.305 96 2HG2 ILE 41 HG22 ILE 41 9.109 7.551 -2.644 97 3HG2 ILE 41 HG23 ILE 41 8.691 8.910 -1.601 98 1HD1 ILE 41 HD11 ILE 41 6.133 7.145 0.918 99 2HD1 ILE 41 HD12 ILE 41 4.968 6.544 -0.262 100 3HD1 ILE 41 HD13 ILE 41 6.267 5.495 0.307 101 H TYR 42 HN TYR 42 7.232 3.974 -1.804 102 HA TYR 42 HA TYR 42 8.431 4.138 -4.484 103 1HB TYR 42 HB2 TYR 42 7.510 1.607 -3.101 104 2HB TYR 42 HB3 TYR 42 7.975 1.714 -4.792 105 HD1 TYR 42 HD1 TYR 42 9.128 1.419 -1.382 106 HD2 TYR 42 HD2 TYR 42 10.356 2.159 -5.385 107 HE1 TYR 42 HE1 TYR 42 11.447 0.908 -0.755 108 HE2 TYR 42 HE2 TYR 42 12.684 1.655 -4.767 109 HH TYR 42 HH TYR 42 14.101 1.602 -2.770 110 H LYS 43 HN LYS 43 6.975 3.776 -6.193 111 HA LYS 43 HA LYS 43 4.151 3.501 -5.411 112 1HB LYS 43 HB2 LYS 43 4.568 5.668 -6.538 113 2HB LYS 43 HB3 LYS 43 5.225 4.803 -7.928 114 1HG LYS 43 HG2 LYS 43 2.935 3.572 -7.900 115 2HG LYS 43 HG3 LYS 43 2.409 4.963 -6.956 116 1HD LYS 43 HD2 LYS 43 3.690 5.114 -9.679 117 2HD LYS 43 HD3 LYS 43 1.954 5.176 -9.376 118 1HE LYS 43 HE2 LYS 43 2.458 7.158 -7.859 119 2HE LYS 43 HE3 LYS 43 4.060 7.168 -8.599 120 1HZ LYS 43 HZ1 LYS 43 2.981 7.380 -10.776 121 2HZ LYS 43 HZ2 LYS 43 2.615 8.682 -9.753 122 3HZ LYS 43 HZ3 LYS 43 1.467 7.461 -10.015 123 H GLY 44 HN GLY 44 3.325 1.627 -5.930 124 1HA GLY 44 HA1 GLY 44 4.240 0.276 -8.367 125 2HA GLY 44 HA2 GLY 44 4.284 -0.608 -6.843 126 H LYS 45 HN LYS 45 2.770 -1.599 -8.882 127 HA LYS 45 HA LYS 45 0.033 -0.734 -8.305 128 1HB LYS 45 HB2 LYS 45 1.023 -2.613 -10.449 129 2HB LYS 45 HB3 LYS 45 -0.640 -2.068 -10.233 130 1HG LYS 45 HG2 LYS 45 -0.048 0.174 -10.791 131 2HG LYS 45 HG3 LYS 45 1.668 -0.214 -10.785 132 1HD LYS 45 HD2 LYS 45 1.253 -1.792 -12.668 133 2HD LYS 45 HD3 LYS 45 -0.415 -1.213 -12.717 134 1HE LYS 45 HE2 LYS 45 0.450 1.081 -13.068 135 2HE LYS 45 HE3 LYS 45 2.080 0.417 -13.147 136 1HZ LYS 45 HZ1 LYS 45 1.056 0.805 -15.341 137 2HZ LYS 45 HZ2 LYS 45 -0.127 -0.359 -14.975 138 3HZ LYS 45 HZ3 LYS 45 1.497 -0.813 -15.095 139 H ILE 46 HN ILE 46 -1.577 -2.230 -7.880 140 HA ILE 46 HA ILE 46 -0.886 -4.378 -6.163 141 HB ILE 46 HB ILE 46 -3.406 -3.313 -7.358 142 1HG1 ILE 46 HG12 ILE 46 -4.102 -3.365 -4.950 143 2HG1 ILE 46 HG13 ILE 46 -2.500 -3.972 -4.547 144 1HG2 ILE 46 HG21 ILE 46 -3.184 -6.009 -6.041 145 2HG2 ILE 46 HG22 ILE 46 -4.688 -5.176 -6.433 146 3HG2 ILE 46 HG23 ILE 46 -3.604 -5.690 -7.724 147 1HD1 ILE 46 HD11 ILE 46 -3.125 -1.307 -5.805 148 2HD1 ILE 46 HD12 ILE 46 -2.666 -1.589 -4.127 149 3HD1 ILE 46 HD13 ILE 46 -1.512 -1.906 -5.423 150 H THR 47 HN THR 47 -0.542 -6.488 -6.635 151 HA THR 47 HA THR 47 -1.241 -7.395 -9.361 152 HB THR 47 HB THR 47 0.710 -8.837 -9.322 153 HG1 THR 47 HG1 THR 47 1.129 -9.369 -7.240 154 1HG2 THR 47 HG21 THR 47 0.982 -6.567 -10.141 155 2HG2 THR 47 HG22 THR 47 2.442 -7.072 -9.286 156 3HG2 THR 47 HG23 THR 47 1.283 -5.996 -8.499 157 H ARG 48 HN ARG 48 -1.475 -7.920 -6.013 158 HA ARG 48 HA ARG 48 -3.225 -10.176 -6.442 159 1HB ARG 48 HB2 ARG 48 -1.398 -11.473 -6.026 160 2HB ARG 48 HB3 ARG 48 -0.595 -10.245 -5.090 161 1HG ARG 48 HG2 ARG 48 -1.700 -10.816 -3.142 162 2HG ARG 48 HG3 ARG 48 -3.049 -11.557 -4.006 163 1HD ARG 48 HD2 ARG 48 -0.333 -12.759 -4.257 164 2HD ARG 48 HD3 ARG 48 -1.253 -13.020 -2.772 165 HE ARG 48 HE ARG 48 -3.085 -13.829 -4.334 166 1HH1 ARG 48 HH1 ARG 48 0.332 -14.134 -5.095 167 2HH1 ARG 48 HH1 ARG 48 0.114 -15.584 -6.037 168 1HH2 ARG 48 HH2 ARG 48 -3.354 -15.732 -5.543 169 2HH2 ARG 48 HH2 ARG 48 -1.978 -16.496 -6.278 170 H ILE 49 HN ILE 49 -4.939 -10.038 -5.169 171 HA ILE 49 HA ILE 49 -4.714 -8.711 -2.573 172 HB ILE 49 HB ILE 49 -6.920 -8.091 -4.556 173 1HG1 ILE 49 HG12 ILE 49 -4.956 -6.151 -3.383 174 2HG1 ILE 49 HG13 ILE 49 -4.604 -7.004 -4.885 175 1HG2 ILE 49 HG21 ILE 49 -6.436 -7.076 -1.757 176 2HG2 ILE 49 HG22 ILE 49 -7.703 -6.517 -2.849 177 3HG2 ILE 49 HG23 ILE 49 -7.723 -8.177 -2.253 178 1HD1 ILE 49 HD11 ILE 49 -6.706 -6.078 -5.810 179 2HD1 ILE 49 HD12 ILE 49 -6.871 -5.111 -4.342 180 3HD1 ILE 49 HD13 ILE 49 -5.483 -4.868 -5.412 181 H GLU 50 HN GLU 50 -5.060 -10.465 -1.371 182 HA GLU 50 HA GLU 50 -7.161 -12.321 -2.208 183 1HB GLU 50 HB2 GLU 50 -4.594 -12.682 -1.037 184 2HB GLU 50 HB3 GLU 50 -5.788 -13.240 0.124 185 1HG GLU 50 HG2 GLU 50 -5.417 -15.157 -1.054 186 2HG GLU 50 HG3 GLU 50 -6.782 -14.489 -1.947 187 HA PRO 51 HA PRO 51 -9.828 -10.249 0.767 188 1HB PRO 51 HB2 PRO 51 -11.465 -12.635 0.063 189 2HB PRO 51 HB3 PRO 51 -11.913 -10.926 0.068 190 1HG PRO 51 HG2 PRO 51 -11.494 -12.202 -2.222 191 2HG PRO 51 HG3 PRO 51 -10.941 -10.530 -2.002 192 1HD PRO 51 HD2 PRO 51 -9.374 -13.075 -1.934 193 2HD PRO 51 HD3 PRO 51 -8.932 -11.496 -2.616 194 H SER 52 HN SER 52 -8.685 -13.507 0.691 195 HA SER 52 HA SER 52 -9.768 -14.391 3.158 196 1HB SER 52 HB2 SER 52 -9.060 -15.881 1.307 197 2HB SER 52 HB3 SER 52 -7.385 -15.435 1.613 198 HG SER 52 HG SER 52 -7.579 -17.226 2.779 199 H LEU 53 HN LEU 53 -7.061 -12.361 2.405 200 HA LEU 53 HA LEU 53 -6.131 -12.716 5.170 201 1HB LEU 53 HB2 LEU 53 -3.791 -12.179 4.236 202 2HB LEU 53 HB3 LEU 53 -4.426 -13.802 4.091 203 HG LEU 53 HG LEU 53 -5.082 -13.258 1.732 204 1HD1 LEU 53 HD11 LEU 53 -3.473 -10.771 2.275 205 2HD1 LEU 53 HD12 LEU 53 -3.954 -11.337 0.674 206 3HD1 LEU 53 HD13 LEU 53 -5.184 -10.859 1.845 207 1HD2 LEU 53 HD21 LEU 53 -3.075 -14.523 2.242 208 2HD2 LEU 53 HD22 LEU 53 -2.804 -13.464 0.859 209 3HD2 LEU 53 HD23 LEU 53 -2.162 -13.029 2.444 210 H GLU 54 HN GLU 54 -7.651 -10.569 3.417 211 HA GLU 54 HA GLU 54 -7.951 -8.348 3.438 212 1HB GLU 54 HB2 GLU 54 -7.824 -7.260 5.654 213 2HB GLU 54 HB3 GLU 54 -8.678 -8.789 5.670 214 1HG GLU 54 HG2 GLU 54 -7.475 -9.065 7.556 215 2HG GLU 54 HG3 GLU 54 -6.281 -9.673 6.416 216 H ALA 55 HN ALA 55 -5.576 -8.921 2.177 217 HA ALA 55 HA ALA 55 -4.260 -6.399 2.443 218 1HB ALA 55 HB1 ALA 55 -3.181 -7.603 4.265 219 2HB ALA 55 HB2 ALA 55 -2.689 -8.869 3.140 220 3HB ALA 55 HB3 ALA 55 -2.039 -7.240 2.970 221 H ALA 56 HN ALA 56 -2.261 -6.351 0.922 222 HA ALA 56 HA ALA 56 -2.859 -7.933 -1.484 223 1HB ALA 56 HB1 ALA 56 -2.869 -5.910 -2.849 224 2HB ALA 56 HB2 ALA 56 -4.143 -5.866 -1.629 225 3HB ALA 56 HB3 ALA 56 -2.668 -4.928 -1.399 226 H PHE 57 HN PHE 57 -1.179 -8.169 -2.933 227 HA PHE 57 HA PHE 57 1.458 -7.311 -1.983 228 1HB PHE 57 HB2 PHE 57 0.614 -9.388 -3.986 229 2HB PHE 57 HB3 PHE 57 2.273 -8.838 -3.869 230 HD1 PHE 57 HD1 PHE 57 3.467 -9.141 -1.649 231 HD2 PHE 57 HD2 PHE 57 -0.214 -11.047 -2.590 232 HE1 PHE 57 HE1 PHE 57 3.885 -10.807 0.113 233 HE2 PHE 57 HE2 PHE 57 0.188 -12.714 -0.824 234 HZ PHE 57 HZ PHE 57 2.243 -12.597 0.529 235 H VAL 58 HN VAL 58 2.712 -5.988 -3.113 236 HA VAL 58 HA VAL 58 1.583 -4.779 -5.547 237 HB VAL 58 HB VAL 58 2.984 -3.473 -3.218 238 1HG1 VAL 58 HG11 VAL 58 4.124 -2.654 -5.198 239 2HG1 VAL 58 HG12 VAL 58 2.576 -2.292 -5.965 240 3HG1 VAL 58 HG13 VAL 58 3.081 -1.396 -4.533 241 1HG2 VAL 58 HG21 VAL 58 1.052 -1.961 -3.323 242 2HG2 VAL 58 HG22 VAL 58 0.413 -2.886 -4.681 243 3HG2 VAL 58 HG23 VAL 58 0.567 -3.641 -3.094 244 H ASP 59 HN ASP 59 2.854 -4.684 -7.273 245 HA ASP 59 HA ASP 59 5.533 -5.842 -6.995 246 1HB ASP 59 HB2 ASP 59 3.970 -6.984 -8.526 247 2HB ASP 59 HB3 ASP 59 3.824 -5.493 -9.460 248 H TYR 60 HN TYR 60 6.937 -4.266 -6.619 249 HA TYR 60 HA TYR 60 7.128 -2.132 -8.636 250 1HB TYR 60 HB2 TYR 60 8.098 -0.695 -6.815 251 2HB TYR 60 HB3 TYR 60 6.412 -1.117 -6.532 252 HD1 TYR 60 HD1 TYR 60 5.916 -3.021 -4.895 253 HD2 TYR 60 HD2 TYR 60 9.757 -1.220 -5.217 254 HE1 TYR 60 HE1 TYR 60 6.543 -3.974 -2.718 255 HE2 TYR 60 HE2 TYR 60 10.393 -2.167 -3.043 256 HH TYR 60 HH TYR 60 9.544 -3.135 -1.128 257 H GLY 61 HN GLY 61 8.427 -4.037 -9.577 258 1HA GLY 61 HA1 GLY 61 10.358 -5.280 -9.856 259 2HA GLY 61 HA2 GLY 61 11.165 -3.776 -9.422 260 H ALA 62 HN ALA 62 9.253 -6.242 -7.680 261 HA ALA 62 HA ALA 62 11.207 -6.009 -5.481 262 1HB ALA 62 HB1 ALA 62 9.052 -5.013 -4.915 263 2HB ALA 62 HB2 ALA 62 8.243 -6.535 -5.288 264 3HB ALA 62 HB3 ALA 62 9.368 -6.444 -3.931 265 H GLU 63 HN GLU 63 11.113 -7.969 -3.961 266 HA GLU 63 HA GLU 63 11.451 -10.289 -5.700 267 1HB GLU 63 HB2 GLU 63 13.202 -9.430 -4.025 268 2HB GLU 63 HB3 GLU 63 12.184 -10.158 -2.788 269 1HG GLU 63 HG2 GLU 63 13.977 -11.655 -3.432 270 2HG GLU 63 HG3 GLU 63 12.407 -12.329 -3.874 271 H ARG 64 HN ARG 64 9.962 -9.641 -2.477 272 HA ARG 64 HA ARG 64 8.194 -11.909 -3.069 273 1HB ARG 64 HB2 ARG 64 8.095 -12.464 -0.861 274 2HB ARG 64 HB3 ARG 64 9.689 -11.735 -0.903 275 1HG ARG 64 HG2 ARG 64 8.758 -9.648 -0.042 276 2HG ARG 64 HG3 ARG 64 7.155 -10.387 -0.001 277 1HD ARG 64 HD2 ARG 64 9.570 -11.032 1.660 278 2HD ARG 64 HD3 ARG 64 7.954 -10.577 2.196 279 HE ARG 64 HE ARG 64 8.174 -13.096 0.752 280 1HH1 ARG 64 HH1 ARG 64 7.820 -11.474 3.834 281 2HH1 ARG 64 HH1 ARG 64 7.487 -12.938 4.703 282 1HH2 ARG 64 HH2 ARG 64 7.721 -15.011 1.881 283 2HH2 ARG 64 HH2 ARG 64 7.421 -14.951 3.598 284 H HIS 65 HN HIS 65 8.176 -8.813 -3.547 285 HA HIS 65 HA HIS 65 6.573 -7.277 -4.025 286 1HB HIS 65 HB2 HIS 65 4.754 -9.591 -3.390 287 2HB HIS 65 HB3 HIS 65 4.111 -7.981 -3.694 288 HD1 HIS 65 HD1 HIS 65 2.929 -8.840 -5.839 289 HD2 HIS 65 HD2 HIS 65 7.064 -9.156 -5.913 290 HE1 HIS 65 HE1 HIS 65 3.524 -9.294 -8.220 291 HE2 HIS 65 HE2 HIS 65 6.037 -9.370 -8.276 292 H GLY 66 HN GLY 66 5.631 -5.600 -2.980 293 1HA GLY 66 HA1 GLY 66 5.887 -5.527 -0.128 294 2HA GLY 66 HA2 GLY 66 5.252 -4.247 -1.155 295 H PHE 67 HN PHE 67 4.451 -6.315 1.241 296 HA PHE 67 HA PHE 67 1.729 -6.810 0.269 297 1HB PHE 67 HB2 PHE 67 3.177 -8.666 1.176 298 2HB PHE 67 HB3 PHE 67 3.066 -7.893 2.742 299 HD1 PHE 67 HD1 PHE 67 0.640 -8.805 0.051 300 HD2 PHE 67 HD2 PHE 67 1.644 -8.980 4.189 301 HE1 PHE 67 HE1 PHE 67 -1.451 -10.013 0.507 302 HE2 PHE 67 HE2 PHE 67 -0.443 -10.186 4.643 303 HZ PHE 67 HZ PHE 67 -1.940 -10.811 2.778 304 H LEU 68 HN LEU 68 0.635 -4.969 0.572 305 HA LEU 68 HA LEU 68 0.778 -3.454 3.042 306 1HB LEU 68 HB2 LEU 68 0.192 -2.845 0.395 307 2HB LEU 68 HB3 LEU 68 -1.362 -2.759 1.194 308 HG LEU 68 HG LEU 68 1.092 -1.137 1.814 309 1HD1 LEU 68 HD11 LEU 68 -1.681 -0.384 0.897 310 2HD1 LEU 68 HD12 LEU 68 -0.358 0.734 1.227 311 3HD1 LEU 68 HD13 LEU 68 -0.232 -0.412 -0.108 312 1HD2 LEU 68 HD21 LEU 68 -0.230 -0.063 3.562 313 2HD2 LEU 68 HD22 LEU 68 -1.539 -1.214 3.287 314 3HD2 LEU 68 HD23 LEU 68 0.016 -1.776 3.905 315 HA PRO 69 HA PRO 69 -2.750 -5.752 4.759 316 1HB PRO 69 HB2 PRO 69 -2.326 -3.856 6.976 317 2HB PRO 69 HB3 PRO 69 -2.333 -5.622 6.998 318 1HG PRO 69 HG2 PRO 69 -0.065 -4.228 7.302 319 2HG PRO 69 HG3 PRO 69 -0.097 -5.768 6.422 320 1HD PRO 69 HD2 PRO 69 -0.053 -2.969 5.343 321 2HD PRO 69 HD3 PRO 69 0.849 -4.401 4.797 322 H LEU 70 HN LEU 70 -4.867 -5.247 4.799 323 HA LEU 70 HA LEU 70 -5.818 -2.947 3.537 324 1HB LEU 70 HB2 LEU 70 -7.154 -4.851 3.421 325 2HB LEU 70 HB3 LEU 70 -7.100 -5.119 5.148 326 HG LEU 70 HG LEU 70 -8.570 -3.162 5.477 327 1HD1 LEU 70 HD11 LEU 70 -7.967 -1.886 3.503 328 2HD1 LEU 70 HD12 LEU 70 -8.674 -3.126 2.464 329 3HD1 LEU 70 HD13 LEU 70 -9.706 -2.182 3.541 330 1HD2 LEU 70 HD21 LEU 70 -9.601 -5.261 3.577 331 2HD2 LEU 70 HD22 LEU 70 -9.509 -5.394 5.332 332 3HD2 LEU 70 HD23 LEU 70 -10.598 -4.219 4.593 333 H LYS 71 HN LYS 71 -5.443 -3.662 6.946 334 HA LYS 71 HA LYS 71 -6.988 -1.492 7.898 335 1HB LYS 71 HB2 LYS 71 -5.619 -1.903 10.039 336 2HB LYS 71 HB3 LYS 71 -6.665 -3.190 9.457 337 1HG LYS 71 HG2 LYS 71 -4.733 -4.303 8.455 338 2HG LYS 71 HG3 LYS 71 -3.686 -3.011 9.044 339 1HD LYS 71 HD2 LYS 71 -4.132 -3.589 11.315 340 2HD LYS 71 HD3 LYS 71 -5.403 -4.716 10.836 341 1HE LYS 71 HE2 LYS 71 -2.506 -5.014 10.063 342 2HE LYS 71 HE3 LYS 71 -3.231 -5.789 11.469 343 1HZ LYS 71 HZ1 LYS 71 -4.604 -7.104 10.109 344 2HZ LYS 71 HZ2 LYS 71 -3.077 -7.165 9.379 345 3HZ LYS 71 HZ3 LYS 71 -4.288 -6.183 8.726 346 H GLU 72 HN GLU 72 -4.043 -1.494 6.312 347 HA GLU 72 HA GLU 72 -3.116 0.982 7.570 348 1HB GLU 72 HB2 GLU 72 -1.886 -0.514 5.248 349 2HB GLU 72 HB3 GLU 72 -1.133 0.746 6.220 350 1HG GLU 72 HG2 GLU 72 -1.975 -1.917 7.324 351 2HG GLU 72 HG3 GLU 72 -0.372 -1.593 6.670 352 H ILE 73 HN ILE 73 -4.861 -0.174 4.845 353 HA ILE 73 HA ILE 73 -3.990 1.388 2.765 354 HB ILE 73 HB ILE 73 -6.700 0.198 3.274 355 1HG1 ILE 73 HG12 ILE 73 -4.396 -0.506 1.450 356 2HG1 ILE 73 HG13 ILE 73 -4.884 -1.375 2.903 357 1HG2 ILE 73 HG21 ILE 73 -7.259 0.636 0.936 358 2HG2 ILE 73 HG22 ILE 73 -7.022 2.142 1.823 359 3HG2 ILE 73 HG23 ILE 73 -5.761 1.546 0.744 360 1HD1 ILE 73 HD11 ILE 73 -6.494 -1.091 0.380 361 2HD1 ILE 73 HD12 ILE 73 -5.610 -2.526 0.900 362 3HD1 ILE 73 HD13 ILE 73 -6.995 -1.959 1.829 363 H ALA 74 HN ALA 74 -4.302 3.304 1.970 364 HA ALA 74 HA ALA 74 -5.535 5.320 3.653 365 1HB ALA 74 HB1 ALA 74 -3.859 5.588 1.162 366 2HB ALA 74 HB2 ALA 74 -4.353 6.901 2.232 367 3HB ALA 74 HB3 ALA 74 -3.257 5.650 2.820 368 H ARG 75 HN ARG 75 -7.018 6.805 2.933 369 HA ARG 75 HA ARG 75 -9.188 5.848 1.468 370 1HB ARG 75 HB2 ARG 75 -9.210 7.627 3.222 371 2HB ARG 75 HB3 ARG 75 -8.561 8.744 2.029 372 1HG ARG 75 HG2 ARG 75 -10.545 8.480 0.659 373 2HG ARG 75 HG3 ARG 75 -11.185 7.281 1.785 374 1HD ARG 75 HD2 ARG 75 -12.218 9.451 2.154 375 2HD ARG 75 HD3 ARG 75 -11.254 8.969 3.548 376 HE ARG 75 HE ARG 75 -9.485 10.478 2.500 377 1HH1 ARG 75 HH1 ARG 75 -12.929 11.008 2.185 378 2HH1 ARG 75 HH1 ARG 75 -12.783 12.733 2.010 379 1HH2 ARG 75 HH2 ARG 75 -9.274 12.742 2.320 380 2HH2 ARG 75 HH2 ARG 75 -10.694 13.725 2.076 381 H GLU 76 HN GLU 76 -6.296 7.186 0.247 382 HA GLU 76 HA GLU 76 -7.087 8.624 -1.986 383 1HB GLU 76 HB2 GLU 76 -4.737 8.244 -1.104 384 2HB GLU 76 HB3 GLU 76 -4.767 6.696 -1.941 385 1HG GLU 76 HG2 GLU 76 -3.614 8.286 -3.297 386 2HG GLU 76 HG3 GLU 76 -5.155 7.902 -4.066 387 H TYR 77 HN TYR 77 -6.993 5.132 -1.534 388 HA TYR 77 HA TYR 77 -7.349 4.781 -4.413 389 1HB TYR 77 HB2 TYR 77 -6.437 2.802 -2.329 390 2HB TYR 77 HB3 TYR 77 -6.569 2.476 -4.064 391 HD1 TYR 77 HD1 TYR 77 -5.483 4.667 -5.451 392 HD2 TYR 77 HD2 TYR 77 -4.276 3.111 -1.683 393 HE1 TYR 77 HE1 TYR 77 -3.206 5.524 -5.823 394 HE2 TYR 77 HE2 TYR 77 -2.008 3.970 -2.039 395 HH TYR 77 HH TYR 77 -0.560 4.609 -3.861 396 H PHE 78 HN PHE 78 -8.980 4.072 -1.377 397 HA PHE 78 HA PHE 78 -11.294 3.443 -3.054 398 1HB PHE 78 HB2 PHE 78 -12.568 3.123 -0.955 399 2HB PHE 78 HB3 PHE 78 -11.191 2.048 -1.068 400 HD1 PHE 78 HD1 PHE 78 -9.068 2.753 0.203 401 HD2 PHE 78 HD2 PHE 78 -12.927 4.368 0.967 402 HE1 PHE 78 HE1 PHE 78 -8.313 3.499 2.421 403 HE2 PHE 78 HE2 PHE 78 -12.180 5.112 3.186 404 HZ PHE 78 HZ PHE 78 -9.976 4.561 3.989 405 HA PRO 79 HA PRO 79 -10.556 7.689 -3.736 406 1HB PRO 79 HB2 PRO 79 -13.139 8.201 -4.784 407 2HB PRO 79 HB3 PRO 79 -11.667 7.828 -5.684 408 1HG PRO 79 HG2 PRO 79 -13.860 6.029 -4.799 409 2HG PRO 79 HG3 PRO 79 -12.880 5.959 -6.278 410 1HD PRO 79 HD2 PRO 79 -12.428 4.235 -4.314 411 2HD PRO 79 HD3 PRO 79 -11.053 5.000 -5.148 412 H ALA 80 HN ALA 80 -10.845 9.592 -2.824 413 HA ALA 80 HA ALA 80 -11.949 9.774 -0.283 414 1HB ALA 80 HB1 ALA 80 -10.116 11.143 -1.109 415 2HB ALA 80 HB2 ALA 80 -11.225 11.995 -2.182 416 3HB ALA 80 HB3 ALA 80 -11.404 12.141 -0.434 417 H ASN 81 HN ASN 81 -13.589 9.863 -3.208 418 HA ASN 81 HA ASN 81 -15.751 11.600 -2.393 419 1HB ASN 81 HB2 ASN 81 -15.149 11.377 -4.769 420 2HB ASN 81 HB3 ASN 81 -15.501 9.656 -4.705 421 1HD2 ASN 81 HD21 ASN 81 -16.822 12.849 -4.847 422 2HD2 ASN 81 HD22 ASN 81 -18.463 12.376 -5.156 423 H TYR 82 HN TYR 82 -14.828 8.330 -2.097 424 HA TYR 82 HA TYR 82 -17.423 7.214 -1.566 425 1HB TYR 82 HB2 TYR 82 -15.622 5.846 -2.507 426 2HB TYR 82 HB3 TYR 82 -14.606 6.185 -1.115 427 HD1 TYR 82 HD1 TYR 82 -17.722 4.472 -2.174 428 HD2 TYR 82 HD2 TYR 82 -14.695 4.805 0.797 429 HE1 TYR 82 HE1 TYR 82 -18.609 2.471 -1.058 430 HE2 TYR 82 HE2 TYR 82 -15.569 2.796 1.919 431 HH TYR 82 HH TYR 82 -17.792 1.589 2.061 432 H SER 83 HN SER 83 -18.441 7.157 0.355 433 HA SER 83 HA SER 83 -17.451 8.636 2.555 434 1HB SER 83 HB2 SER 83 -19.770 6.694 2.422 435 2HB SER 83 HB3 SER 83 -19.479 7.862 3.712 436 HG SER 83 HG SER 83 -21.005 8.554 2.065 437 H ALA 84 HN ALA 84 -15.644 7.891 3.470 438 HA ALA 84 HA ALA 84 -15.229 5.082 3.980 439 1HB ALA 84 HB1 ALA 84 -13.062 5.762 4.831 440 2HB ALA 84 HB2 ALA 84 -13.374 6.538 3.279 441 3HB ALA 84 HB3 ALA 84 -13.548 7.456 4.775 442 H HIS 85 HN HIS 85 -16.486 4.291 5.541 443 HA HIS 85 HA HIS 85 -16.224 5.508 8.196 444 1HB HIS 85 HB2 HIS 85 -18.584 4.722 8.674 445 2HB HIS 85 HB3 HIS 85 -18.448 6.095 7.585 446 HD1 HIS 85 HD1 HIS 85 -19.208 2.385 7.552 447 HD2 HIS 85 HD2 HIS 85 -19.562 5.739 5.112 448 HE1 HIS 85 HE1 HIS 85 -20.611 1.660 5.596 449 HE2 HIS 85 HE2 HIS 85 -20.973 3.754 4.239 450 H GLY 86 HN GLY 86 -15.623 4.140 9.743 451 1HA GLY 86 HA1 GLY 86 -15.341 2.122 10.855 452 2HA GLY 86 HA2 GLY 86 -16.193 1.309 9.549 453 H ARG 87 HN ARG 87 -15.055 0.324 7.960 454 HA ARG 87 HA ARG 87 -12.135 0.686 7.910 455 1HB ARG 87 HB2 ARG 87 -13.508 -2.013 7.945 456 2HB ARG 87 HB3 ARG 87 -11.778 -1.723 7.868 457 1HG ARG 87 HG2 ARG 87 -13.536 -0.973 10.191 458 2HG ARG 87 HG3 ARG 87 -12.568 -2.444 10.090 459 1HD ARG 87 HD2 ARG 87 -10.539 -1.070 9.887 460 2HD ARG 87 HD3 ARG 87 -11.523 0.385 10.039 461 HE ARG 87 HE ARG 87 -12.181 -0.950 12.265 462 1HH1 ARG 87 HH1 ARG 87 -9.070 -0.116 10.865 463 2HH1 ARG 87 HH1 ARG 87 -8.241 -0.161 12.393 464 1HH2 ARG 87 HH2 ARG 87 -11.081 -0.977 14.269 465 2HH2 ARG 87 HH2 ARG 87 -9.372 -0.638 14.317 466 HA PRO 88 HA PRO 88 -12.931 0.453 3.452 467 1HB PRO 88 HB2 PRO 88 -10.222 -0.061 2.908 468 2HB PRO 88 HB3 PRO 88 -11.020 1.511 2.841 469 1HG PRO 88 HG2 PRO 88 -9.270 0.366 4.924 470 2HG PRO 88 HG3 PRO 88 -9.555 2.066 4.497 471 1HD PRO 88 HD2 PRO 88 -10.578 0.877 6.737 472 2HD PRO 88 HD3 PRO 88 -11.346 2.244 5.903 473 H ASN 89 HN ASN 89 -12.794 -1.253 1.917 474 HA ASN 89 HA ASN 89 -12.195 -3.892 3.087 475 1HB ASN 89 HB2 ASN 89 -14.578 -3.625 2.862 476 2HB ASN 89 HB3 ASN 89 -14.412 -3.035 1.214 477 1HD2 ASN 89 HD21 ASN 89 -14.337 -4.442 -0.426 478 2HD2 ASN 89 HD22 ASN 89 -14.456 -6.157 -0.247 479 H ILE 90 HN ILE 90 -10.310 -4.547 2.198 480 HA ILE 90 HA ILE 90 -9.082 -3.138 0.160 481 HB ILE 90 HB ILE 90 -7.822 -4.369 1.842 482 1HG1 ILE 90 HG12 ILE 90 -7.067 -5.377 -0.887 483 2HG1 ILE 90 HG13 ILE 90 -6.888 -3.690 -0.415 484 1HG2 ILE 90 HG21 ILE 90 -9.148 -6.441 1.904 485 2HG2 ILE 90 HG22 ILE 90 -8.527 -6.872 0.309 486 3HG2 ILE 90 HG23 ILE 90 -7.425 -6.757 1.682 487 1HD1 ILE 90 HD11 ILE 90 -5.571 -6.056 0.887 488 2HD1 ILE 90 HD12 ILE 90 -4.803 -4.883 -0.184 489 3HD1 ILE 90 HD13 ILE 90 -5.400 -4.376 1.397 490 H LYS 91 HN LYS 91 -10.551 -6.364 -0.082 491 HA LYS 91 HA LYS 91 -9.998 -6.877 -2.741 492 1HB LYS 91 HB2 LYS 91 -12.176 -8.234 -2.632 493 2HB LYS 91 HB3 LYS 91 -10.898 -8.637 -1.495 494 1HG LYS 91 HG2 LYS 91 -12.056 -7.201 0.190 495 2HG LYS 91 HG3 LYS 91 -13.390 -7.045 -0.951 496 1HD LYS 91 HD2 LYS 91 -12.348 -9.668 0.110 497 2HD LYS 91 HD3 LYS 91 -13.733 -8.800 0.782 498 1HE LYS 91 HE2 LYS 91 -14.752 -8.898 -1.534 499 2HE LYS 91 HE3 LYS 91 -13.460 -10.021 -1.958 500 1HZ LYS 91 HZ1 LYS 91 -15.562 -10.397 0.103 501 2HZ LYS 91 HZ2 LYS 91 -14.228 -11.428 -0.070 502 3HZ LYS 91 HZ3 LYS 91 -15.356 -11.283 -1.328 503 H ASP 92 HN ASP 92 -12.056 -4.419 -1.534 504 HA ASP 92 HA ASP 92 -13.230 -4.053 -4.220 505 1HB ASP 92 HB2 ASP 92 -14.906 -4.568 -2.463 506 2HB ASP 92 HB3 ASP 92 -14.372 -3.158 -1.559 507 H VAL 93 HN VAL 93 -10.823 -2.989 -2.377 508 HA VAL 93 HA VAL 93 -11.276 -0.115 -2.859 509 HB VAL 93 HB VAL 93 -9.481 -1.545 -0.894 510 1HG1 VAL 93 HG11 VAL 93 -8.670 0.649 -0.185 511 2HG1 VAL 93 HG12 VAL 93 -8.229 0.309 -1.858 512 3HG1 VAL 93 HG13 VAL 93 -9.566 1.404 -1.504 513 1HG2 VAL 93 HG21 VAL 93 -11.814 0.331 -0.601 514 2HG2 VAL 93 HG22 VAL 93 -11.698 -1.344 -0.068 515 3HG2 VAL 93 HG23 VAL 93 -10.740 -0.098 0.732 516 H LEU 94 HN LEU 94 -8.801 -2.635 -2.932 517 HA LEU 94 HA LEU 94 -7.327 -1.043 -4.898 518 1HB LEU 94 HB2 LEU 94 -6.464 -3.533 -3.422 519 2HB LEU 94 HB3 LEU 94 -5.466 -2.569 -4.487 520 HG LEU 94 HG LEU 94 -6.566 -1.676 -1.820 521 1HD1 LEU 94 HD11 LEU 94 -3.776 -2.397 -2.705 522 2HD1 LEU 94 HD12 LEU 94 -4.222 -1.757 -1.123 523 3HD1 LEU 94 HD13 LEU 94 -4.805 -3.343 -1.630 524 1HD2 LEU 94 HD21 LEU 94 -5.148 0.290 -2.131 525 2HD2 LEU 94 HD22 LEU 94 -4.714 -0.273 -3.745 526 3HD2 LEU 94 HD23 LEU 94 -6.379 0.184 -3.391 527 H ARG 95 HN ARG 95 -6.692 -1.985 -6.822 528 HA ARG 95 HA ARG 95 -7.608 -4.637 -7.495 529 1HB ARG 95 HB2 ARG 95 -8.648 -3.845 -9.626 530 2HB ARG 95 HB3 ARG 95 -9.536 -3.407 -8.177 531 1HG ARG 95 HG2 ARG 95 -7.614 -1.457 -9.354 532 2HG ARG 95 HG3 ARG 95 -9.185 -1.690 -10.116 533 1HD ARG 95 HD2 ARG 95 -10.191 -1.277 -7.817 534 2HD ARG 95 HD3 ARG 95 -8.586 -0.730 -7.326 535 HE ARG 95 HE ARG 95 -9.564 0.543 -9.713 536 1HH1 ARG 95 HH1 ARG 95 -9.640 0.674 -6.203 537 2HH1 ARG 95 HH1 ARG 95 -9.925 2.382 -6.149 538 1HH2 ARG 95 HH2 ARG 95 -9.960 2.777 -9.644 539 2HH2 ARG 95 HH2 ARG 95 -10.119 3.584 -8.109 540 H GLU 96 HN GLU 96 -6.531 -5.507 -9.305 541 HA GLU 96 HA GLU 96 -3.818 -4.949 -9.335 542 1HB GLU 96 HB2 GLU 96 -5.358 -6.406 -11.484 543 2HB GLU 96 HB3 GLU 96 -3.645 -6.573 -11.115 544 1HG GLU 96 HG2 GLU 96 -4.124 -7.601 -9.016 545 2HG GLU 96 HG3 GLU 96 -5.846 -7.264 -9.186 546 H GLY 97 HN GLY 97 -2.624 -3.512 -10.336 547 1HA GLY 97 HA1 GLY 97 -2.000 -2.314 -12.339 548 2HA GLY 97 HA2 GLY 97 -3.706 -2.178 -12.733 549 H GLN 98 HN GLN 98 -4.155 -1.568 -9.751 550 HA GLN 98 HA GLN 98 -3.926 1.286 -10.016 551 1HB GLN 98 HB2 GLN 98 -5.799 0.056 -8.793 552 2HB GLN 98 HB3 GLN 98 -4.643 -0.199 -7.493 553 1HG GLN 98 HG2 GLN 98 -4.349 2.205 -7.254 554 2HG GLN 98 HG3 GLN 98 -5.487 2.483 -8.569 555 1HE2 GLN 98 HE21 GLN 98 -5.891 0.019 -6.115 556 2HE2 GLN 98 HE22 GLN 98 -7.253 0.748 -5.343 557 H GLU 99 HN GLU 99 -2.438 2.591 -9.205 558 HA GLU 99 HA GLU 99 -0.034 1.478 -8.077 559 1HB GLU 99 HB2 GLU 99 0.766 3.823 -8.144 560 2HB GLU 99 HB3 GLU 99 0.167 3.255 -9.704 561 1HG GLU 99 HG2 GLU 99 -1.940 4.414 -9.316 562 2HG GLU 99 HG3 GLU 99 -1.349 4.973 -7.746 563 H VAL 100 HN VAL 100 0.904 2.153 -6.088 564 HA VAL 100 HA VAL 100 -0.817 3.697 -4.287 565 HB VAL 100 HB VAL 100 -0.123 2.340 -2.373 566 1HG1 VAL 100 HG11 VAL 100 -1.534 0.373 -2.816 567 2HG1 VAL 100 HG12 VAL 100 -2.268 1.889 -3.347 568 3HG1 VAL 100 HG13 VAL 100 -1.540 0.797 -4.528 569 1HG2 VAL 100 HG21 VAL 100 0.913 0.148 -2.695 570 2HG2 VAL 100 HG22 VAL 100 1.062 0.476 -4.421 571 3HG2 VAL 100 HG23 VAL 100 1.960 1.455 -3.257 572 H ILE 101 HN ILE 101 0.263 5.125 -2.971 573 HA ILE 101 HA ILE 101 3.160 5.323 -3.281 574 HB ILE 101 HB ILE 101 1.419 7.086 -1.561 575 1HG1 ILE 101 HG12 ILE 101 0.420 7.093 -3.778 576 2HG1 ILE 101 HG13 ILE 101 1.237 8.621 -3.490 577 1HG2 ILE 101 HG21 ILE 101 3.801 7.300 -1.216 578 2HG2 ILE 101 HG22 ILE 101 4.057 7.527 -2.946 579 3HG2 ILE 101 HG23 ILE 101 3.180 8.744 -2.018 580 1HD1 ILE 101 HD11 ILE 101 3.125 7.867 -4.832 581 2HD1 ILE 101 HD12 ILE 101 2.306 6.331 -5.117 582 3HD1 ILE 101 HD13 ILE 101 1.619 7.828 -5.748 583 H VAL 102 HN VAL 102 4.323 4.071 -1.972 584 HA VAL 102 HA VAL 102 3.516 3.717 0.828 585 HB VAL 102 HB VAL 102 4.024 1.227 0.554 586 1HG1 VAL 102 HG11 VAL 102 1.530 2.418 -0.644 587 2HG1 VAL 102 HG12 VAL 102 1.700 0.741 -0.125 588 3HG1 VAL 102 HG13 VAL 102 1.817 2.046 1.058 589 1HG2 VAL 102 HG21 VAL 102 3.499 1.954 -2.325 590 2HG2 VAL 102 HG22 VAL 102 4.975 1.256 -1.658 591 3HG2 VAL 102 HG23 VAL 102 3.488 0.308 -1.689 592 H GLN 103 HN GLN 103 5.199 3.836 2.112 593 HA GLN 103 HA GLN 103 7.871 3.544 0.992 594 1HB GLN 103 HB2 GLN 103 8.632 4.383 3.218 595 2HB GLN 103 HB3 GLN 103 7.582 5.507 2.366 596 1HG GLN 103 HG2 GLN 103 5.712 4.871 3.748 597 2HG GLN 103 HG3 GLN 103 6.685 3.637 4.544 598 1HE2 GLN 103 HE21 GLN 103 8.184 4.233 6.074 599 2HE2 GLN 103 HE22 GLN 103 8.218 5.812 6.776 600 H ILE 104 HN ILE 104 9.208 1.901 1.517 601 HA ILE 104 HA ILE 104 8.044 -0.398 2.816 602 HB ILE 104 HB ILE 104 10.796 0.052 1.641 603 1HG1 ILE 104 HG12 ILE 104 8.966 0.023 0.015 604 2HG1 ILE 104 HG13 ILE 104 9.964 -1.420 -0.147 605 1HG2 ILE 104 HG21 ILE 104 9.582 -2.523 2.645 606 2HG2 ILE 104 HG22 ILE 104 11.141 -2.352 1.840 607 3HG2 ILE 104 HG23 ILE 104 10.888 -1.630 3.430 608 1HD1 ILE 104 HD11 ILE 104 8.300 -2.695 1.123 609 2HD1 ILE 104 HD12 ILE 104 7.297 -1.251 1.246 610 3HD1 ILE 104 HD13 ILE 104 7.613 -1.976 -0.333 611 H ASP 105 HN ASP 105 7.735 0.011 4.886 612 HA ASP 105 HA ASP 105 9.601 1.363 6.567 613 1HB ASP 105 HB2 ASP 105 7.182 1.400 7.010 614 2HB ASP 105 HB3 ASP 105 7.192 -0.342 7.257 615 H LYS 106 HN LYS 106 9.001 -1.886 5.623 616 HA LYS 106 HA LYS 106 11.096 -2.837 7.441 617 1HB LYS 106 HB2 LYS 106 8.651 -4.447 6.702 618 2HB LYS 106 HB3 LYS 106 9.835 -4.787 7.963 619 1HG LYS 106 HG2 LYS 106 9.056 -2.952 9.285 620 2HG LYS 106 HG3 LYS 106 8.009 -2.393 7.982 621 1HD LYS 106 HD2 LYS 106 6.898 -4.721 8.204 622 2HD LYS 106 HD3 LYS 106 7.698 -4.767 9.778 623 1HE LYS 106 HE2 LYS 106 5.708 -2.738 8.788 624 2HE LYS 106 HE3 LYS 106 5.489 -3.902 10.091 625 1HZ LYS 106 HZ1 LYS 106 7.344 -1.574 10.089 626 2HZ LYS 106 HZ2 LYS 106 7.265 -2.745 11.317 627 3HZ LYS 106 HZ3 LYS 106 5.926 -1.749 11.009 628 H GLU 107 HN GLU 107 12.681 -3.829 6.398 629 HA GLU 107 HA GLU 107 12.550 -4.122 3.559 630 1HB GLU 107 HB2 GLU 107 14.720 -4.638 5.587 631 2HB GLU 107 HB3 GLU 107 14.931 -4.781 3.857 632 1HG GLU 107 HG2 GLU 107 14.359 -2.401 3.607 633 2HG GLU 107 HG3 GLU 107 14.241 -2.278 5.363 634 H GLU 108 HN GLU 108 13.292 -6.122 2.491 635 HA GLU 108 HA GLU 108 11.629 -8.248 3.398 636 1HB GLU 108 HB2 GLU 108 12.171 -7.571 0.973 637 2HB GLU 108 HB3 GLU 108 13.645 -8.511 1.188 638 1HG GLU 108 HG2 GLU 108 12.386 -10.496 1.635 639 2HG GLU 108 HG3 GLU 108 10.874 -9.592 1.620 640 H ARG 109 HN ARG 109 12.363 -8.944 5.318 641 HA ARG 109 HA ARG 109 15.032 -10.171 5.426 642 1HB ARG 109 HB2 ARG 109 14.859 -9.907 7.852 643 2HB ARG 109 HB3 ARG 109 14.627 -8.364 7.043 644 1HG ARG 109 HG2 ARG 109 12.148 -8.793 7.241 645 2HG ARG 109 HG3 ARG 109 12.559 -10.122 8.325 646 1HD ARG 109 HD2 ARG 109 13.198 -7.200 8.701 647 2HD ARG 109 HD3 ARG 109 12.050 -8.166 9.628 648 HE ARG 109 HE ARG 109 14.518 -9.410 9.879 649 1HH1 ARG 109 HH1 ARG 109 13.075 -6.335 10.706 650 2HH1 ARG 109 HH1 ARG 109 14.135 -6.047 12.051 651 1HH2 ARG 109 HH2 ARG 109 15.909 -9.063 11.643 652 2HH2 ARG 109 HH2 ARG 109 15.746 -7.623 12.599 653 H GLY 110 HN GLY 110 12.055 -11.103 4.724 654 1HA GLY 110 HA1 GLY 110 11.449 -13.376 4.514 655 2HA GLY 110 HA2 GLY 110 12.485 -13.754 5.877 656 H ASN 111 HN ASN 111 11.515 -11.959 7.791 657 HA ASN 111 HA ASN 111 9.410 -13.503 8.837 658 1HB ASN 111 HB2 ASN 111 10.271 -10.712 9.636 659 2HB ASN 111 HB3 ASN 111 9.270 -11.789 10.602 660 1HD2 ASN 111 HD21 ASN 111 10.198 -13.480 11.681 661 2HD2 ASN 111 HD22 ASN 111 11.913 -13.678 11.831 662 H LYS 112 HN LYS 112 9.321 -10.133 7.662 663 HA LYS 112 HA LYS 112 6.584 -10.687 6.770 664 1HB LYS 112 HB2 LYS 112 6.572 -8.984 8.535 665 2HB LYS 112 HB3 LYS 112 7.741 -8.031 7.632 666 1HG LYS 112 HG2 LYS 112 5.496 -7.126 7.420 667 2HG LYS 112 HG3 LYS 112 6.118 -7.670 5.864 668 1HD LYS 112 HD2 LYS 112 3.864 -8.380 5.964 669 2HD LYS 112 HD3 LYS 112 4.843 -9.817 6.238 670 1HE LYS 112 HE2 LYS 112 3.671 -8.182 8.479 671 2HE LYS 112 HE3 LYS 112 2.814 -9.525 7.729 672 1HZ LYS 112 HZ1 LYS 112 4.767 -10.935 8.330 673 2HZ LYS 112 HZ2 LYS 112 3.884 -10.349 9.653 674 3HZ LYS 112 HZ3 LYS 112 5.362 -9.632 9.244 675 H GLY 113 HN GLY 113 9.623 -9.091 6.167 676 1HA GLY 113 HA1 GLY 113 10.793 -9.123 4.158 677 2HA GLY 113 HA2 GLY 113 9.347 -9.736 3.360 678 H ALA 114 HN ALA 114 8.930 -8.351 1.804 679 HA ALA 114 HA ALA 114 9.438 -5.555 2.015 680 1HB ALA 114 HB1 ALA 114 8.417 -5.415 -0.203 681 2HB ALA 114 HB2 ALA 114 9.604 -6.717 -0.124 682 3HB ALA 114 HB3 ALA 114 7.881 -7.094 -0.070 683 H ALA 115 HN ALA 115 8.276 -4.606 3.608 684 HA ALA 115 HA ALA 115 5.372 -5.020 3.641 685 1HB ALA 115 HB1 ALA 115 6.531 -5.441 5.750 686 2HB ALA 115 HB2 ALA 115 7.139 -3.785 5.740 687 3HB ALA 115 HB3 ALA 115 5.408 -4.086 5.881 688 H LEU 116 HN LEU 116 4.102 -3.522 2.851 689 HA LEU 116 HA LEU 116 5.130 -0.838 2.354 690 1HB LEU 116 HB2 LEU 116 2.347 -1.841 1.806 691 2HB LEU 116 HB3 LEU 116 3.139 -0.439 1.118 692 HG LEU 116 HG LEU 116 3.897 -3.300 0.533 693 1HD1 LEU 116 HD11 LEU 116 2.347 -1.301 -1.107 694 2HD1 LEU 116 HD12 LEU 116 2.846 -2.909 -1.628 695 3HD1 LEU 116 HD13 LEU 116 1.678 -2.732 -0.319 696 1HD2 LEU 116 HD21 LEU 116 5.775 -1.852 0.260 697 2HD2 LEU 116 HD22 LEU 116 5.143 -2.246 -1.337 698 3HD2 LEU 116 HD23 LEU 116 4.805 -0.671 -0.617 699 H THR 117 HN THR 117 4.004 1.025 3.165 700 HA THR 117 HA THR 117 1.858 0.471 5.090 701 HB THR 117 HB THR 117 3.999 1.001 6.311 702 HG1 THR 117 HG1 THR 117 2.148 1.448 7.443 703 1HG2 THR 117 HG21 THR 117 4.791 3.306 6.301 704 2HG2 THR 117 HG22 THR 117 3.592 3.716 5.071 705 3HG2 THR 117 HG23 THR 117 4.900 2.598 4.690 706 H THR 118 HN THR 118 0.276 2.131 5.180 707 HA THR 118 HA THR 118 0.703 4.339 3.307 708 HB THR 118 HB THR 118 -1.971 4.213 3.234 709 HG1 THR 118 HG1 THR 118 -2.405 2.359 4.243 710 1HG2 THR 118 HG21 THR 118 -0.052 2.654 1.510 711 2HG2 THR 118 HG22 THR 118 -0.515 4.343 1.306 712 3HG2 THR 118 HG23 THR 118 -1.708 3.066 1.068 713 H PHE 119 HN PHE 119 1.190 4.156 6.152 714 HA PHE 119 HA PHE 119 -0.618 6.107 7.289 715 1HB PHE 119 HB2 PHE 119 2.115 5.126 8.152 716 2HB PHE 119 HB3 PHE 119 1.213 6.359 9.024 717 HD1 PHE 119 HD1 PHE 119 -1.512 5.300 8.921 718 HD2 PHE 119 HD2 PHE 119 2.188 3.303 9.573 719 HE1 PHE 119 HE1 PHE 119 -2.688 3.543 10.176 720 HE2 PHE 119 HE2 PHE 119 1.017 1.538 10.826 721 HZ PHE 119 HZ PHE 119 -1.400 1.680 11.184 722 H ILE 120 HN ILE 120 -0.012 6.915 4.867 723 HA ILE 120 HA ILE 120 2.095 8.959 5.085 724 HB ILE 120 HB ILE 120 1.281 7.555 2.526 725 1HG1 ILE 120 HG12 ILE 120 3.729 6.866 4.157 726 2HG1 ILE 120 HG13 ILE 120 2.208 6.008 4.362 727 1HG2 ILE 120 HG21 ILE 120 2.429 9.666 2.208 728 2HG2 ILE 120 HG22 ILE 120 3.720 9.161 3.297 729 3HG2 ILE 120 HG23 ILE 120 3.498 8.339 1.752 730 1HD1 ILE 120 HD11 ILE 120 3.689 4.770 2.912 731 2HD1 ILE 120 HD12 ILE 120 2.286 5.335 2.005 732 3HD1 ILE 120 HD13 ILE 120 3.836 6.163 1.836 733 H SER 121 HN SER 121 1.634 10.729 3.334 734 HA SER 121 HA SER 121 -0.996 11.681 4.029 735 1HB SER 121 HB2 SER 121 0.175 13.684 2.577 736 2HB SER 121 HB3 SER 121 0.346 13.464 4.320 737 HG SER 121 HG SER 121 2.369 13.016 4.018 738 H LEU 122 HN LEU 122 -0.927 9.559 1.998 739 HA LEU 122 HA LEU 122 -2.175 11.106 -0.147 740 1HB LEU 122 HB2 LEU 122 -1.599 9.454 -1.783 741 2HB LEU 122 HB3 LEU 122 -0.159 10.022 -0.987 742 HG LEU 122 HG LEU 122 0.339 7.822 -1.200 743 1HD1 LEU 122 HD11 LEU 122 -1.176 7.764 1.387 744 2HD1 LEU 122 HD12 LEU 122 -0.008 6.556 0.851 745 3HD1 LEU 122 HD13 LEU 122 0.513 8.214 1.150 746 1HD2 LEU 122 HD21 LEU 122 -1.255 5.957 -1.099 747 2HD2 LEU 122 HD22 LEU 122 -2.554 7.123 -0.816 748 3HD2 LEU 122 HD23 LEU 122 -1.655 7.151 -2.335 749 H ALA 123 HN ALA 123 -4.217 11.138 0.382 750 HA ALA 123 HA ALA 123 -5.760 8.734 0.274 751 1HB ALA 123 HB1 ALA 123 -5.011 8.644 2.629 752 2HB ALA 123 HB2 ALA 123 -5.758 10.217 2.908 753 3HB ALA 123 HB3 ALA 123 -6.759 8.825 2.483 754 H GLY 124 HN GLY 124 -5.619 11.029 -1.252 755 1HA GLY 124 HA1 GLY 124 -6.921 12.650 -2.207 756 2HA GLY 124 HA2 GLY 124 -8.286 11.882 -1.418 757 H SER 125 HN SER 125 -9.058 14.127 -1.291 758 HA SER 125 HA SER 125 -8.444 15.154 1.347 759 1HB SER 125 HB2 SER 125 -8.230 16.918 -1.112 760 2HB SER 125 HB3 SER 125 -8.158 17.481 0.558 761 HG SER 125 HG SER 125 -6.405 15.440 -0.100 Start of MODEL 6 1 1H GLY 30 H1 GLY 30 18.567 20.746 -3.045 2 2H GLY 30 H2 GLY 30 18.448 21.700 -1.648 3 3H GLY 30 H3 GLY 30 18.157 22.386 -3.169 4 1HA GLY 30 HA2 GLY 30 16.094 21.979 -1.957 5 2HA GLY 30 HA1 GLY 30 16.189 21.078 -3.464 6 H SER 31 HN SER 31 14.424 20.212 -1.653 7 HA SER 31 HA SER 31 15.678 17.721 -0.710 8 1HB SER 31 HB2 SER 31 13.462 19.220 0.712 9 2HB SER 31 HB3 SER 31 14.222 17.720 1.244 10 HG SER 31 HG SER 31 15.328 19.193 2.348 11 H HIS 32 HN HIS 32 14.893 17.268 -3.016 12 HA HIS 32 HA HIS 32 12.321 15.947 -2.813 13 1HB HIS 32 HB2 HIS 32 11.949 18.350 -3.668 14 2HB HIS 32 HB3 HIS 32 12.740 17.812 -5.146 15 HD1 HIS 32 HD1 HIS 32 11.329 16.543 -6.811 16 HD2 HIS 32 HD2 HIS 32 9.471 16.973 -3.110 17 HE1 HIS 32 HE1 HIS 32 8.974 15.722 -7.129 18 HE2 HIS 32 HE2 HIS 32 7.925 15.819 -4.837 19 H MET 33 HN MET 33 14.740 14.773 -2.887 20 HA MET 33 HA MET 33 15.319 14.000 -5.624 21 1HB MET 33 HB2 MET 33 16.570 13.195 -2.999 22 2HB MET 33 HB3 MET 33 17.065 12.538 -4.552 23 1HG MET 33 HG2 MET 33 18.605 14.238 -3.952 24 2HG MET 33 HG3 MET 33 17.622 14.848 -5.280 25 1HE MET 33 HE1 MET 33 18.604 17.257 -4.704 26 2HE MET 33 HE2 MET 33 18.434 18.038 -3.131 27 3HE MET 33 HE3 MET 33 19.483 16.632 -3.307 28 H LEU 34 HN LEU 34 14.151 12.604 -2.649 29 HA LEU 34 HA LEU 34 12.910 10.441 -4.209 30 1HB LEU 34 HB2 LEU 34 14.236 10.178 -1.512 31 2HB LEU 34 HB3 LEU 34 13.273 8.926 -2.273 32 HG LEU 34 HG LEU 34 15.868 10.035 -3.351 33 1HD1 LEU 34 HD11 LEU 34 16.171 8.658 -1.352 34 2HD1 LEU 34 HD12 LEU 34 15.240 7.363 -2.104 35 3HD1 LEU 34 HD13 LEU 34 16.789 7.849 -2.792 36 1HD2 LEU 34 HD21 LEU 34 14.158 7.760 -4.351 37 2HD2 LEU 34 HD22 LEU 34 14.315 9.340 -5.119 38 3HD2 LEU 34 HD23 LEU 34 15.712 8.269 -5.012 39 H GLU 35 HN GLU 35 12.863 11.350 -0.806 40 HA GLU 35 HA GLU 35 10.047 12.086 -1.059 41 1HB GLU 35 HB2 GLU 35 10.892 9.630 0.004 42 2HB GLU 35 HB3 GLU 35 10.471 10.624 1.394 43 1HG GLU 35 HG2 GLU 35 8.710 9.946 -0.949 44 2HG GLU 35 HG3 GLU 35 8.552 9.363 0.707 45 H GLN 36 HN GLN 36 9.408 12.602 1.499 46 HA GLN 36 HA GLN 36 11.305 14.750 2.194 47 1HB GLN 36 HB2 GLN 36 8.283 14.860 2.237 48 2HB GLN 36 HB3 GLN 36 9.383 16.185 2.603 49 1HG GLN 36 HG2 GLN 36 9.986 16.474 0.398 50 2HG GLN 36 HG3 GLN 36 9.504 14.840 -0.056 51 1HE2 GLN 36 HE21 GLN 36 7.333 14.386 -0.399 52 2HE2 GLN 36 HE22 GLN 36 6.168 15.636 -0.686 53 H LYS 37 HN LYS 37 12.195 13.963 4.020 54 HA LYS 37 HA LYS 37 12.454 13.275 6.166 55 1HB LYS 37 HB2 LYS 37 9.523 13.917 6.532 56 2HB LYS 37 HB3 LYS 37 10.705 13.684 7.809 57 1HG LYS 37 HG2 LYS 37 11.918 15.686 6.955 58 2HG LYS 37 HG3 LYS 37 10.580 15.949 5.834 59 1HD LYS 37 HD2 LYS 37 9.040 16.018 7.796 60 2HD LYS 37 HD3 LYS 37 10.451 15.933 8.850 61 1HE LYS 37 HE2 LYS 37 9.854 18.221 8.692 62 2HE LYS 37 HE3 LYS 37 11.297 18.005 7.702 63 1HZ LYS 37 HZ1 LYS 37 9.745 19.341 6.509 64 2HZ LYS 37 HZ2 LYS 37 8.493 18.225 6.749 65 3HZ LYS 37 HZ3 LYS 37 9.802 17.830 5.747 66 H LYS 38 HN LYS 38 11.377 11.576 3.957 67 HA LYS 38 HA LYS 38 10.484 9.313 5.601 68 1HB LYS 38 HB2 LYS 38 8.554 10.242 4.410 69 2HB LYS 38 HB3 LYS 38 9.415 10.128 2.886 70 1HG LYS 38 HG2 LYS 38 9.379 7.721 2.972 71 2HG LYS 38 HG3 LYS 38 8.681 7.758 4.597 72 1HD LYS 38 HD2 LYS 38 7.377 8.747 2.059 73 2HD LYS 38 HD3 LYS 38 6.957 7.287 2.953 74 1HE LYS 38 HE2 LYS 38 6.685 10.124 3.950 75 2HE LYS 38 HE3 LYS 38 5.375 9.089 3.401 76 1HZ LYS 38 HZ1 LYS 38 7.129 8.425 5.706 77 2HZ LYS 38 HZ2 LYS 38 5.702 7.645 5.238 78 3HZ LYS 38 HZ3 LYS 38 5.637 9.217 5.855 79 H ALA 39 HN ALA 39 10.953 7.217 4.600 80 HA ALA 39 HA ALA 39 13.463 7.108 3.245 81 1HB ALA 39 HB1 ALA 39 11.428 4.922 3.708 82 2HB ALA 39 HB2 ALA 39 13.097 4.693 3.188 83 3HB ALA 39 HB3 ALA 39 12.756 5.334 4.794 84 H ASN 40 HN ASN 40 13.482 5.554 1.200 85 HA ASN 40 HA ASN 40 12.462 7.039 -0.921 86 1HB ASN 40 HB2 ASN 40 14.338 5.365 -1.001 87 2HB ASN 40 HB3 ASN 40 13.105 4.107 -0.986 88 1HD2 ASN 40 HD21 ASN 40 13.812 3.369 -3.022 89 2HD2 ASN 40 HD22 ASN 40 13.430 4.227 -4.476 90 H ILE 41 HN ILE 41 10.513 7.206 -1.773 91 HA ILE 41 HA ILE 41 8.416 5.362 -0.911 92 HB ILE 41 HB ILE 41 8.230 7.900 -0.717 93 1HG1 ILE 41 HG12 ILE 41 5.819 7.870 -1.627 94 2HG1 ILE 41 HG13 ILE 41 6.149 6.193 -2.055 95 1HG2 ILE 41 HG21 ILE 41 7.812 7.665 -3.692 96 2HG2 ILE 41 HG22 ILE 41 7.434 9.090 -2.724 97 3HG2 ILE 41 HG23 ILE 41 9.103 8.540 -2.868 98 1HD1 ILE 41 HD11 ILE 41 6.314 7.374 0.707 99 2HD1 ILE 41 HD12 ILE 41 5.016 6.357 0.080 100 3HD1 ILE 41 HD13 ILE 41 6.638 5.693 0.277 101 H TYR 42 HN TYR 42 7.116 4.212 -2.409 102 HA TYR 42 HA TYR 42 8.168 4.177 -5.164 103 1HB TYR 42 HB2 TYR 42 7.245 1.804 -3.525 104 2HB TYR 42 HB3 TYR 42 7.757 1.747 -5.205 105 HD1 TYR 42 HD1 TYR 42 8.841 1.950 -1.732 106 HD2 TYR 42 HD2 TYR 42 10.121 1.991 -5.789 107 HE1 TYR 42 HE1 TYR 42 11.150 1.526 -1.001 108 HE2 TYR 42 HE2 TYR 42 12.433 1.568 -5.068 109 HH TYR 42 HH TYR 42 13.224 0.613 -1.893 110 H LYS 43 HN LYS 43 6.662 4.383 -6.719 111 HA LYS 43 HA LYS 43 3.859 3.900 -5.994 112 1HB LYS 43 HB2 LYS 43 4.263 5.984 -7.230 113 2HB LYS 43 HB3 LYS 43 5.032 5.080 -8.532 114 1HG LYS 43 HG2 LYS 43 2.863 3.852 -8.826 115 2HG LYS 43 HG3 LYS 43 2.143 4.996 -7.696 116 1HD LYS 43 HD2 LYS 43 3.505 5.744 -10.278 117 2HD LYS 43 HD3 LYS 43 1.762 5.579 -10.065 118 1HE LYS 43 HE2 LYS 43 1.866 7.338 -8.313 119 2HE LYS 43 HE3 LYS 43 3.576 7.555 -8.685 120 1HZ LYS 43 HZ1 LYS 43 2.995 8.202 -10.920 121 2HZ LYS 43 HZ2 LYS 43 2.152 9.176 -9.818 122 3HZ LYS 43 HZ3 LYS 43 1.351 7.916 -10.620 123 H GLY 44 HN GLY 44 3.446 1.826 -6.038 124 1HA GLY 44 HA1 GLY 44 4.228 0.327 -8.456 125 2HA GLY 44 HA2 GLY 44 4.284 -0.395 -6.851 126 H LYS 45 HN LYS 45 2.792 -1.485 -8.928 127 HA LYS 45 HA LYS 45 0.032 -0.736 -8.364 128 1HB LYS 45 HB2 LYS 45 1.260 -2.642 -10.354 129 2HB LYS 45 HB3 LYS 45 -0.479 -2.517 -10.077 130 1HG LYS 45 HG2 LYS 45 -0.570 -0.336 -10.921 131 2HG LYS 45 HG3 LYS 45 1.181 -0.132 -10.837 132 1HD LYS 45 HD2 LYS 45 1.503 -1.711 -12.621 133 2HD LYS 45 HD3 LYS 45 -0.212 -2.127 -12.620 134 1HE LYS 45 HE2 LYS 45 -0.807 0.037 -13.427 135 2HE LYS 45 HE3 LYS 45 0.838 0.632 -13.200 136 1HZ LYS 45 HZ1 LYS 45 0.157 -1.573 -15.065 137 2HZ LYS 45 HZ2 LYS 45 1.613 -0.712 -14.958 138 3HZ LYS 45 HZ3 LYS 45 0.221 0.056 -15.538 139 H ILE 46 HN ILE 46 -1.496 -2.278 -7.718 140 HA ILE 46 HA ILE 46 -0.558 -4.333 -5.974 141 HB ILE 46 HB ILE 46 -3.265 -3.526 -7.019 142 1HG1 ILE 46 HG12 ILE 46 -3.759 -3.291 -4.597 143 2HG1 ILE 46 HG13 ILE 46 -2.115 -3.788 -4.224 144 1HG2 ILE 46 HG21 ILE 46 -2.599 -5.994 -5.424 145 2HG2 ILE 46 HG22 ILE 46 -4.223 -5.384 -5.736 146 3HG2 ILE 46 HG23 ILE 46 -3.219 -5.940 -7.075 147 1HD1 ILE 46 HD11 ILE 46 -1.255 -1.785 -5.315 148 2HD1 ILE 46 HD12 ILE 46 -2.895 -1.306 -5.753 149 3HD1 ILE 46 HD13 ILE 46 -2.417 -1.366 -4.056 150 H THR 47 HN THR 47 -0.197 -6.436 -6.499 151 HA THR 47 HA THR 47 -0.850 -7.227 -9.264 152 HB THR 47 HB THR 47 1.123 -8.635 -9.223 153 HG1 THR 47 HG1 THR 47 1.448 -9.284 -7.165 154 1HG2 THR 47 HG21 THR 47 2.823 -6.839 -8.978 155 2HG2 THR 47 HG22 THR 47 1.585 -5.827 -8.224 156 3HG2 THR 47 HG23 THR 47 1.411 -6.330 -9.907 157 H ARG 48 HN ARG 48 -1.163 -7.891 -5.944 158 HA ARG 48 HA ARG 48 -2.871 -10.158 -6.562 159 1HB ARG 48 HB2 ARG 48 -0.474 -10.929 -5.960 160 2HB ARG 48 HB3 ARG 48 -0.861 -10.376 -4.332 161 1HG ARG 48 HG2 ARG 48 -2.950 -11.856 -4.527 162 2HG ARG 48 HG3 ARG 48 -2.109 -12.615 -5.877 163 1HD ARG 48 HD2 ARG 48 -0.155 -12.926 -4.272 164 2HD ARG 48 HD3 ARG 48 -1.286 -12.487 -2.986 165 HE ARG 48 HE ARG 48 -2.575 -14.474 -4.317 166 1HH1 ARG 48 HH1 ARG 48 0.601 -14.164 -2.891 167 2HH1 ARG 48 HH1 ARG 48 0.750 -15.844 -2.491 168 1HH2 ARG 48 HH2 ARG 48 -2.419 -16.701 -3.783 169 2HH2 ARG 48 HH2 ARG 48 -0.985 -17.293 -2.993 170 H ILE 49 HN ILE 49 -4.734 -9.707 -5.606 171 HA ILE 49 HA ILE 49 -4.626 -8.646 -2.863 172 HB ILE 49 HB ILE 49 -6.588 -7.880 -5.031 173 1HG1 ILE 49 HG12 ILE 49 -4.980 -6.203 -3.124 174 2HG1 ILE 49 HG13 ILE 49 -4.425 -6.639 -4.743 175 1HG2 ILE 49 HG21 ILE 49 -7.888 -6.709 -3.331 176 2HG2 ILE 49 HG22 ILE 49 -7.856 -8.440 -2.997 177 3HG2 ILE 49 HG23 ILE 49 -6.832 -7.342 -2.069 178 1HD1 ILE 49 HD11 ILE 49 -5.341 -4.437 -4.783 179 2HD1 ILE 49 HD12 ILE 49 -6.423 -5.514 -5.665 180 3HD1 ILE 49 HD13 ILE 49 -6.842 -4.989 -4.030 181 H GLU 50 HN GLU 50 -5.111 -10.213 -1.576 182 HA GLU 50 HA GLU 50 -6.937 -12.316 -2.502 183 1HB GLU 50 HB2 GLU 50 -4.508 -12.780 -1.758 184 2HB GLU 50 HB3 GLU 50 -5.092 -12.482 -0.128 185 1HG GLU 50 HG2 GLU 50 -5.047 -14.843 -0.588 186 2HG GLU 50 HG3 GLU 50 -6.713 -14.296 -0.386 187 HA PRO 51 HA PRO 51 -9.887 -10.168 0.149 188 1HB PRO 51 HB2 PRO 51 -11.363 -12.682 -0.490 189 2HB PRO 51 HB3 PRO 51 -11.903 -11.003 -0.597 190 1HG PRO 51 HG2 PRO 51 -11.276 -12.349 -2.794 191 2HG PRO 51 HG3 PRO 51 -10.812 -10.645 -2.617 192 1HD PRO 51 HD2 PRO 51 -9.136 -13.105 -2.353 193 2HD PRO 51 HD3 PRO 51 -8.720 -11.527 -3.053 194 H SER 52 HN SER 52 -9.072 -13.598 0.375 195 HA SER 52 HA SER 52 -10.263 -14.117 2.851 196 1HB SER 52 HB2 SER 52 -9.589 -15.869 1.272 197 2HB SER 52 HB3 SER 52 -7.895 -15.476 1.553 198 HG SER 52 HG SER 52 -9.572 -16.160 3.712 199 H LEU 53 HN LEU 53 -7.333 -12.432 2.129 200 HA LEU 53 HA LEU 53 -6.614 -12.591 4.976 201 1HB LEU 53 HB2 LEU 53 -4.228 -12.286 4.225 202 2HB LEU 53 HB3 LEU 53 -4.955 -13.843 3.902 203 HG LEU 53 HG LEU 53 -5.330 -13.077 1.525 204 1HD1 LEU 53 HD11 LEU 53 -5.246 -10.700 1.782 205 2HD1 LEU 53 HD12 LEU 53 -3.601 -10.785 2.430 206 3HD1 LEU 53 HD13 LEU 53 -3.911 -11.206 0.745 207 1HD2 LEU 53 HD21 LEU 53 -3.520 -14.562 2.126 208 2HD2 LEU 53 HD22 LEU 53 -3.000 -13.431 0.876 209 3HD2 LEU 53 HD23 LEU 53 -2.501 -13.185 2.551 210 H GLU 54 HN GLU 54 -7.898 -10.577 2.841 211 HA GLU 54 HA GLU 54 -8.011 -8.346 2.536 212 1HB GLU 54 HB2 GLU 54 -8.357 -7.092 4.656 213 2HB GLU 54 HB3 GLU 54 -9.333 -8.539 4.498 214 1HG GLU 54 HG2 GLU 54 -7.998 -9.702 6.078 215 2HG GLU 54 HG3 GLU 54 -6.784 -8.423 6.083 216 H ALA 55 HN ALA 55 -5.709 -8.717 1.655 217 HA ALA 55 HA ALA 55 -4.329 -6.337 2.307 218 1HB ALA 55 HB1 ALA 55 -3.450 -7.745 4.099 219 2HB ALA 55 HB2 ALA 55 -2.893 -8.915 2.902 220 3HB ALA 55 HB3 ALA 55 -2.188 -7.300 2.951 221 H ALA 56 HN ALA 56 -2.479 -5.964 0.842 222 HA ALA 56 HA ALA 56 -2.889 -7.444 -1.683 223 1HB ALA 56 HB1 ALA 56 -2.454 -4.480 -1.362 224 2HB ALA 56 HB2 ALA 56 -2.628 -5.345 -2.890 225 3HB ALA 56 HB3 ALA 56 -3.978 -5.270 -1.762 226 H PHE 57 HN PHE 57 -1.172 -7.866 -2.953 227 HA PHE 57 HA PHE 57 1.497 -7.259 -1.908 228 1HB PHE 57 HB2 PHE 57 0.488 -9.201 -3.984 229 2HB PHE 57 HB3 PHE 57 2.197 -8.817 -3.834 230 HD1 PHE 57 HD1 PHE 57 3.429 -9.452 -1.805 231 HD2 PHE 57 HD2 PHE 57 -0.606 -10.635 -2.436 232 HE1 PHE 57 HE1 PHE 57 3.676 -11.195 -0.085 233 HE2 PHE 57 HE2 PHE 57 -0.370 -12.378 -0.715 234 HZ PHE 57 HZ PHE 57 1.774 -12.658 0.465 235 H VAL 58 HN VAL 58 2.911 -5.987 -2.963 236 HA VAL 58 HA VAL 58 2.002 -4.701 -5.458 237 HB VAL 58 HB VAL 58 3.369 -3.436 -3.075 238 1HG1 VAL 58 HG11 VAL 58 3.095 -2.290 -5.854 239 2HG1 VAL 58 HG12 VAL 58 3.608 -1.392 -4.425 240 3HG1 VAL 58 HG13 VAL 58 4.600 -2.715 -5.039 241 1HG2 VAL 58 HG21 VAL 58 0.876 -2.744 -4.625 242 2HG2 VAL 58 HG22 VAL 58 0.943 -3.466 -3.018 243 3HG2 VAL 58 HG23 VAL 58 1.527 -1.819 -3.272 244 H ASP 59 HN ASP 59 3.401 -4.730 -7.109 245 HA ASP 59 HA ASP 59 5.937 -6.113 -6.604 246 1HB ASP 59 HB2 ASP 59 4.378 -7.222 -8.160 247 2HB ASP 59 HB3 ASP 59 4.401 -5.778 -9.180 248 H TYR 60 HN TYR 60 7.594 -4.775 -6.400 249 HA TYR 60 HA TYR 60 7.977 -2.802 -8.540 250 1HB TYR 60 HB2 TYR 60 9.149 -1.328 -6.954 251 2HB TYR 60 HB3 TYR 60 7.499 -1.620 -6.424 252 HD1 TYR 60 HD1 TYR 60 7.233 -3.595 -4.669 253 HD2 TYR 60 HD2 TYR 60 10.867 -1.513 -5.424 254 HE1 TYR 60 HE1 TYR 60 8.095 -4.305 -2.476 255 HE2 TYR 60 HE2 TYR 60 11.734 -2.221 -3.240 256 HH TYR 60 HH TYR 60 10.229 -4.631 -1.358 257 H GLY 61 HN GLY 61 8.910 -4.844 -9.453 258 1HA GLY 61 HA1 GLY 61 10.649 -6.275 -9.928 259 2HA GLY 61 HA2 GLY 61 11.680 -4.929 -9.464 260 H ALA 62 HN ALA 62 9.458 -6.897 -7.497 261 HA ALA 62 HA ALA 62 11.739 -7.426 -5.702 262 1HB ALA 62 HB1 ALA 62 10.193 -7.235 -3.817 263 2HB ALA 62 HB2 ALA 62 10.231 -5.748 -4.766 264 3HB ALA 62 HB3 ALA 62 8.877 -6.865 -4.933 265 H GLU 63 HN GLU 63 11.826 -9.398 -4.658 266 HA GLU 63 HA GLU 63 10.491 -11.591 -5.970 267 1HB GLU 63 HB2 GLU 63 12.245 -11.663 -3.504 268 2HB GLU 63 HB3 GLU 63 11.868 -13.004 -4.576 269 1HG GLU 63 HG2 GLU 63 13.467 -10.565 -5.312 270 2HG GLU 63 HG3 GLU 63 14.122 -12.157 -4.934 271 H ARG 64 HN ARG 64 10.687 -10.368 -2.642 272 HA ARG 64 HA ARG 64 8.021 -11.457 -2.113 273 1HB ARG 64 HB2 ARG 64 10.115 -10.211 -0.336 274 2HB ARG 64 HB3 ARG 64 8.467 -10.487 0.213 275 1HG ARG 64 HG2 ARG 64 10.290 -12.647 -0.828 276 2HG ARG 64 HG3 ARG 64 10.065 -12.263 0.879 277 1HD ARG 64 HD2 ARG 64 7.901 -13.143 -1.031 278 2HD ARG 64 HD3 ARG 64 8.678 -14.162 0.180 279 HE ARG 64 HE ARG 64 7.707 -12.069 1.614 280 1HH1 ARG 64 HH1 ARG 64 6.284 -14.357 -0.628 281 2HH1 ARG 64 HH1 ARG 64 4.723 -14.317 0.141 282 1HH2 ARG 64 HH2 ARG 64 5.640 -12.014 2.608 283 2HH2 ARG 64 HH2 ARG 64 4.355 -12.991 1.965 284 H HIS 65 HN HIS 65 6.462 -10.239 -2.868 285 HA HIS 65 HA HIS 65 6.722 -7.552 -3.632 286 1HB HIS 65 HB2 HIS 65 4.322 -9.310 -3.168 287 2HB HIS 65 HB3 HIS 65 4.167 -7.640 -3.701 288 HD1 HIS 65 HD1 HIS 65 3.091 -8.520 -5.904 289 HD2 HIS 65 HD2 HIS 65 7.042 -9.657 -5.325 290 HE1 HIS 65 HE1 HIS 65 3.867 -9.389 -8.102 291 HE2 HIS 65 HE2 HIS 65 6.201 -10.265 -7.689 292 H GLY 66 HN GLY 66 5.902 -5.661 -2.778 293 1HA GLY 66 HA1 GLY 66 5.972 -5.316 0.013 294 2HA GLY 66 HA2 GLY 66 5.324 -4.159 -1.147 295 H PHE 67 HN PHE 67 4.572 -6.161 1.389 296 HA PHE 67 HA PHE 67 1.861 -6.706 0.437 297 1HB PHE 67 HB2 PHE 67 3.353 -8.521 1.392 298 2HB PHE 67 HB3 PHE 67 3.159 -7.732 2.946 299 HD1 PHE 67 HD1 PHE 67 0.721 -8.440 0.216 300 HD2 PHE 67 HD2 PHE 67 1.853 -9.072 4.265 301 HE1 PHE 67 HE1 PHE 67 -1.370 -9.685 0.604 302 HE2 PHE 67 HE2 PHE 67 -0.228 -10.314 4.663 303 HZ PHE 67 HZ PHE 67 -1.839 -10.663 2.748 304 H LEU 68 HN LEU 68 0.681 -4.956 0.732 305 HA LEU 68 HA LEU 68 0.804 -3.420 3.206 306 1HB LEU 68 HB2 LEU 68 0.331 -2.788 0.547 307 2HB LEU 68 HB3 LEU 68 -1.258 -2.699 1.272 308 HG LEU 68 HG LEU 68 1.181 -1.113 2.046 309 1HD1 LEU 68 HD11 LEU 68 -0.218 0.794 1.383 310 2HD1 LEU 68 HD12 LEU 68 0.063 -0.323 0.047 311 3HD1 LEU 68 HD13 LEU 68 -1.489 -0.325 0.886 312 1HD2 LEU 68 HD21 LEU 68 -0.286 0.004 3.670 313 2HD2 LEU 68 HD22 LEU 68 -1.540 -1.195 3.339 314 3HD2 LEU 68 HD23 LEU 68 -0.008 -1.694 4.061 315 HA PRO 69 HA PRO 69 -2.733 -5.791 4.820 316 1HB PRO 69 HB2 PRO 69 -2.361 -3.826 7.006 317 2HB PRO 69 HB3 PRO 69 -2.440 -5.587 7.090 318 1HG PRO 69 HG2 PRO 69 -0.129 -4.307 7.431 319 2HG PRO 69 HG3 PRO 69 -0.197 -5.839 6.536 320 1HD PRO 69 HD2 PRO 69 -0.020 -3.035 5.478 321 2HD PRO 69 HD3 PRO 69 0.840 -4.495 4.945 322 H LEU 70 HN LEU 70 -4.852 -5.318 4.764 323 HA LEU 70 HA LEU 70 -5.753 -2.960 3.532 324 1HB LEU 70 HB2 LEU 70 -7.119 -4.775 3.166 325 2HB LEU 70 HB3 LEU 70 -7.045 -5.300 4.828 326 HG LEU 70 HG LEU 70 -8.498 -3.346 5.433 327 1HD1 LEU 70 HD11 LEU 70 -8.014 -1.949 3.516 328 2HD1 LEU 70 HD12 LEU 70 -8.776 -3.128 2.446 329 3HD1 LEU 70 HD13 LEU 70 -9.745 -2.261 3.641 330 1HD2 LEU 70 HD21 LEU 70 -10.568 -4.351 4.504 331 2HD2 LEU 70 HD22 LEU 70 -9.561 -5.393 3.500 332 3HD2 LEU 70 HD23 LEU 70 -9.483 -5.517 5.258 333 H LYS 71 HN LYS 71 -5.566 -3.914 6.909 334 HA LYS 71 HA LYS 71 -7.311 -1.960 7.926 335 1HB LYS 71 HB2 LYS 71 -6.489 -2.526 10.066 336 2HB LYS 71 HB3 LYS 71 -6.424 -3.999 9.118 337 1HG LYS 71 HG2 LYS 71 -4.014 -3.660 8.790 338 2HG LYS 71 HG3 LYS 71 -4.099 -2.208 9.793 339 1HD LYS 71 HD2 LYS 71 -5.197 -3.814 11.529 340 2HD LYS 71 HD3 LYS 71 -4.424 -5.077 10.573 341 1HE LYS 71 HE2 LYS 71 -3.023 -2.731 11.849 342 2HE LYS 71 HE3 LYS 71 -3.056 -4.370 12.492 343 1HZ LYS 71 HZ1 LYS 71 -1.043 -4.217 11.392 344 2HZ LYS 71 HZ2 LYS 71 -1.679 -3.348 10.087 345 3HZ LYS 71 HZ3 LYS 71 -2.025 -5.007 10.254 346 H GLU 72 HN GLU 72 -4.252 -1.634 6.539 347 HA GLU 72 HA GLU 72 -3.671 0.885 7.916 348 1HB GLU 72 HB2 GLU 72 -1.913 -0.258 5.782 349 2HB GLU 72 HB3 GLU 72 -1.472 0.652 7.222 350 1HG GLU 72 HG2 GLU 72 -2.498 -2.171 7.295 351 2HG GLU 72 HG3 GLU 72 -0.791 -1.758 7.186 352 H ILE 73 HN ILE 73 -5.233 -0.253 5.163 353 HA ILE 73 HA ILE 73 -4.222 1.144 3.024 354 HB ILE 73 HB ILE 73 -6.958 0.095 3.609 355 1HG1 ILE 73 HG12 ILE 73 -4.678 -0.624 1.778 356 2HG1 ILE 73 HG13 ILE 73 -5.442 -1.602 3.023 357 1HG2 ILE 73 HG21 ILE 73 -6.236 1.487 1.043 358 2HG2 ILE 73 HG22 ILE 73 -7.753 0.676 1.412 359 3HG2 ILE 73 HG23 ILE 73 -7.302 2.143 2.281 360 1HD1 ILE 73 HD11 ILE 73 -7.456 -1.750 1.638 361 2HD1 ILE 73 HD12 ILE 73 -6.648 -0.811 0.386 362 3HD1 ILE 73 HD13 ILE 73 -6.033 -2.404 0.829 363 H ALA 74 HN ALA 74 -4.309 3.089 2.203 364 HA ALA 74 HA ALA 74 -5.442 5.253 3.756 365 1HB ALA 74 HB1 ALA 74 -4.207 6.701 2.250 366 2HB ALA 74 HB2 ALA 74 -3.161 5.406 2.835 367 3HB ALA 74 HB3 ALA 74 -3.828 5.329 1.204 368 H ARG 75 HN ARG 75 -6.949 6.700 3.034 369 HA ARG 75 HA ARG 75 -9.061 5.735 1.459 370 1HB ARG 75 HB2 ARG 75 -9.084 7.537 3.295 371 2HB ARG 75 HB3 ARG 75 -8.651 8.659 2.011 372 1HG ARG 75 HG2 ARG 75 -10.661 8.067 0.782 373 2HG ARG 75 HG3 ARG 75 -11.086 6.886 2.019 374 1HD ARG 75 HD2 ARG 75 -10.943 9.877 2.312 375 2HD ARG 75 HD3 ARG 75 -12.377 8.856 2.386 376 HE ARG 75 HE ARG 75 -10.479 8.116 4.370 377 1HH1 ARG 75 HH1 ARG 75 -12.988 10.442 3.627 378 2HH1 ARG 75 HH1 ARG 75 -13.242 10.884 5.284 379 1HH2 ARG 75 HH2 ARG 75 -10.818 8.690 6.560 380 2HH2 ARG 75 HH2 ARG 75 -12.024 9.880 6.951 381 H GLU 76 HN GLU 76 -6.132 7.166 0.466 382 HA GLU 76 HA GLU 76 -6.904 8.477 -1.896 383 1HB GLU 76 HB2 GLU 76 -4.581 8.333 -0.776 384 2HB GLU 76 HB3 GLU 76 -4.395 6.831 -1.678 385 1HG GLU 76 HG2 GLU 76 -3.378 8.514 -2.983 386 2HG GLU 76 HG3 GLU 76 -4.922 8.143 -3.752 387 H TYR 77 HN TYR 77 -6.792 5.148 -1.061 388 HA TYR 77 HA TYR 77 -6.504 4.230 -3.800 389 1HB TYR 77 HB2 TYR 77 -6.830 2.619 -1.258 390 2HB TYR 77 HB3 TYR 77 -6.312 2.013 -2.830 391 HD1 TYR 77 HD1 TYR 77 -4.439 4.229 -3.607 392 HD2 TYR 77 HD2 TYR 77 -4.926 2.160 0.074 393 HE1 TYR 77 HE1 TYR 77 -2.104 4.737 -3.011 394 HE2 TYR 77 HE2 TYR 77 -2.598 2.658 0.674 395 HH TYR 77 HH TYR 77 -0.484 3.221 -0.460 396 H PHE 78 HN PHE 78 -8.872 3.979 -1.159 397 HA PHE 78 HA PHE 78 -10.940 3.496 -3.166 398 1HB PHE 78 HB2 PHE 78 -12.502 3.298 -1.230 399 2HB PHE 78 HB3 PHE 78 -11.219 2.103 -1.207 400 HD1 PHE 78 HD1 PHE 78 -9.132 2.775 0.288 401 HD2 PHE 78 HD2 PHE 78 -13.045 4.399 0.687 402 HE1 PHE 78 HE1 PHE 78 -8.639 3.387 2.617 403 HE2 PHE 78 HE2 PHE 78 -12.554 5.023 3.013 404 HZ PHE 78 HZ PHE 78 -10.350 4.515 3.982 405 HA PRO 79 HA PRO 79 -10.336 7.802 -3.788 406 1HB PRO 79 HB2 PRO 79 -12.927 8.174 -4.889 407 2HB PRO 79 HB3 PRO 79 -11.417 7.914 -5.764 408 1HG PRO 79 HG2 PRO 79 -13.512 5.968 -4.970 409 2HG PRO 79 HG3 PRO 79 -12.489 5.985 -6.421 410 1HD PRO 79 HD2 PRO 79 -11.997 4.258 -4.470 411 2HD PRO 79 HD3 PRO 79 -10.643 5.106 -5.255 412 H ALA 80 HN ALA 80 -10.669 9.559 -2.660 413 HA ALA 80 HA ALA 80 -11.941 9.553 -0.216 414 1HB ALA 80 HB1 ALA 80 -11.471 11.919 -0.147 415 2HB ALA 80 HB2 ALA 80 -10.130 11.056 -0.908 416 3HB ALA 80 HB3 ALA 80 -11.279 11.956 -1.900 417 H ASN 81 HN ASN 81 -13.475 9.848 -3.227 418 HA ASN 81 HA ASN 81 -15.761 11.336 -2.233 419 1HB ASN 81 HB2 ASN 81 -15.279 9.949 -4.883 420 2HB ASN 81 HB3 ASN 81 -16.720 10.880 -4.495 421 1HD2 ASN 81 HD21 ASN 81 -16.392 12.369 -6.113 422 2HD2 ASN 81 HD22 ASN 81 -15.116 13.539 -6.065 423 H TYR 82 HN TYR 82 -14.652 8.166 -2.205 424 HA TYR 82 HA TYR 82 -17.169 6.784 -2.251 425 1HB TYR 82 HB2 TYR 82 -15.045 5.692 -2.887 426 2HB TYR 82 HB3 TYR 82 -14.436 5.922 -1.256 427 HD1 TYR 82 HD1 TYR 82 -16.937 4.104 -3.287 428 HD2 TYR 82 HD2 TYR 82 -14.959 4.372 0.472 429 HE1 TYR 82 HE1 TYR 82 -17.884 1.931 -2.640 430 HE2 TYR 82 HE2 TYR 82 -15.897 2.193 1.125 431 HH TYR 82 HH TYR 82 -17.895 0.800 0.527 432 H SER 83 HN SER 83 -18.333 6.021 -0.494 433 HA SER 83 HA SER 83 -18.144 7.632 1.877 434 1HB SER 83 HB2 SER 83 -20.012 5.315 1.351 435 2HB SER 83 HB3 SER 83 -20.254 6.662 2.466 436 HG SER 83 HG SER 83 -20.493 8.044 0.727 437 H ALA 84 HN ALA 84 -16.400 7.084 3.120 438 HA ALA 84 HA ALA 84 -15.925 4.305 3.828 439 1HB ALA 84 HB1 ALA 84 -14.570 6.826 4.796 440 2HB ALA 84 HB2 ALA 84 -14.038 5.175 5.118 441 3HB ALA 84 HB3 ALA 84 -14.019 5.801 3.470 442 H HIS 85 HN HIS 85 -16.821 3.322 5.534 443 HA HIS 85 HA HIS 85 -18.415 4.965 7.371 444 1HB HIS 85 HB2 HIS 85 -19.321 2.919 6.076 445 2HB HIS 85 HB3 HIS 85 -18.429 1.955 7.247 446 HD1 HIS 85 HD1 HIS 85 -21.550 3.845 6.772 447 HD2 HIS 85 HD2 HIS 85 -19.432 2.191 9.951 448 HE1 HIS 85 HE1 HIS 85 -23.161 3.778 8.701 449 HE2 HIS 85 HE2 HIS 85 -21.831 2.884 10.644 450 H GLY 86 HN GLY 86 -15.542 3.113 7.224 451 1HA GLY 86 HA1 GLY 86 -14.571 3.940 9.694 452 2HA GLY 86 HA2 GLY 86 -15.306 2.362 9.942 453 H ARG 87 HN ARG 87 -14.547 0.592 8.581 454 HA ARG 87 HA ARG 87 -11.703 0.932 7.910 455 1HB ARG 87 HB2 ARG 87 -11.552 -1.537 8.040 456 2HB ARG 87 HB3 ARG 87 -12.081 -0.816 9.553 457 1HG ARG 87 HG2 ARG 87 -14.320 -1.521 9.204 458 2HG ARG 87 HG3 ARG 87 -13.978 -1.989 7.537 459 1HD ARG 87 HD2 ARG 87 -12.616 -3.257 9.902 460 2HD ARG 87 HD3 ARG 87 -14.129 -3.866 9.236 461 HE ARG 87 HE ARG 87 -12.431 -3.712 7.090 462 1HH1 ARG 87 HH1 ARG 87 -12.344 -5.308 10.211 463 2HH1 ARG 87 HH1 ARG 87 -11.429 -6.671 9.635 464 1HH2 ARG 87 HH2 ARG 87 -11.250 -5.527 6.324 465 2HH2 ARG 87 HH2 ARG 87 -10.779 -6.781 7.432 466 HA PRO 88 HA PRO 88 -12.796 0.423 3.595 467 1HB PRO 88 HB2 PRO 88 -10.199 -0.182 2.814 468 2HB PRO 88 HB3 PRO 88 -10.901 1.433 2.876 469 1HG PRO 88 HG2 PRO 88 -9.045 0.108 4.757 470 2HG PRO 88 HG3 PRO 88 -9.235 1.833 4.385 471 1HD PRO 88 HD2 PRO 88 -10.148 0.635 6.680 472 2HD PRO 88 HD3 PRO 88 -10.832 2.116 5.982 473 H ASN 89 HN ASN 89 -12.720 -1.297 2.042 474 HA ASN 89 HA ASN 89 -12.025 -3.935 3.148 475 1HB ASN 89 HB2 ASN 89 -13.922 -4.619 1.390 476 2HB ASN 89 HB3 ASN 89 -14.304 -4.197 3.054 477 1HD2 ASN 89 HD21 ASN 89 -14.279 -3.071 -0.247 478 2HD2 ASN 89 HD22 ASN 89 -15.426 -1.801 -0.020 479 H ILE 90 HN ILE 90 -10.241 -4.595 2.127 480 HA ILE 90 HA ILE 90 -9.118 -3.080 0.109 481 HB ILE 90 HB ILE 90 -7.818 -4.426 1.703 482 1HG1 ILE 90 HG12 ILE 90 -7.046 -5.179 -1.104 483 2HG1 ILE 90 HG13 ILE 90 -6.967 -3.514 -0.530 484 1HG2 ILE 90 HG21 ILE 90 -8.517 -6.784 -0.048 485 2HG2 ILE 90 HG22 ILE 90 -7.364 -6.781 1.290 486 3HG2 ILE 90 HG23 ILE 90 -9.082 -6.521 1.601 487 1HD1 ILE 90 HD11 ILE 90 -5.476 -5.881 0.561 488 2HD1 ILE 90 HD12 ILE 90 -4.811 -4.509 -0.325 489 3HD1 ILE 90 HD13 ILE 90 -5.476 -4.273 1.290 490 H LYS 91 HN LYS 91 -10.808 -6.159 -0.211 491 HA LYS 91 HA LYS 91 -10.106 -6.583 -2.911 492 1HB LYS 91 HB2 LYS 91 -11.984 -8.221 -2.881 493 2HB LYS 91 HB3 LYS 91 -10.827 -8.429 -1.573 494 1HG LYS 91 HG2 LYS 91 -12.408 -7.113 -0.122 495 2HG LYS 91 HG3 LYS 91 -13.586 -7.255 -1.431 496 1HD LYS 91 HD2 LYS 91 -13.218 -9.749 -1.320 497 2HD LYS 91 HD3 LYS 91 -12.314 -9.465 0.171 498 1HE LYS 91 HE2 LYS 91 -14.247 -8.537 1.236 499 2HE LYS 91 HE3 LYS 91 -15.155 -8.553 -0.276 500 1HZ LYS 91 HZ1 LYS 91 -14.973 -10.996 -0.259 501 2HZ LYS 91 HZ2 LYS 91 -15.828 -10.396 1.074 502 3HZ LYS 91 HZ3 LYS 91 -14.225 -10.919 1.262 503 H ASP 92 HN ASP 92 -12.197 -4.333 -1.532 504 HA ASP 92 HA ASP 92 -13.429 -3.821 -4.160 505 1HB ASP 92 HB2 ASP 92 -15.112 -4.685 -2.584 506 2HB ASP 92 HB3 ASP 92 -14.685 -3.436 -1.425 507 H VAL 93 HN VAL 93 -11.000 -2.905 -2.620 508 HA VAL 93 HA VAL 93 -11.498 0.001 -2.725 509 HB VAL 93 HB VAL 93 -9.840 -1.595 -0.779 510 1HG1 VAL 93 HG11 VAL 93 -8.364 0.149 -1.614 511 2HG1 VAL 93 HG12 VAL 93 -9.601 1.366 -1.306 512 3HG1 VAL 93 HG13 VAL 93 -8.863 0.500 0.041 513 1HG2 VAL 93 HG21 VAL 93 -11.027 -0.144 0.856 514 2HG2 VAL 93 HG22 VAL 93 -11.956 0.529 -0.481 515 3HG2 VAL 93 HG23 VAL 93 -12.092 -1.185 -0.086 516 H LEU 94 HN LEU 94 -8.931 -2.435 -2.815 517 HA LEU 94 HA LEU 94 -7.470 -0.774 -4.731 518 1HB LEU 94 HB2 LEU 94 -6.668 -3.062 -2.950 519 2HB LEU 94 HB3 LEU 94 -5.665 -2.557 -4.293 520 HG LEU 94 HG LEU 94 -6.458 -0.748 -2.011 521 1HD1 LEU 94 HD11 LEU 94 -4.167 -1.072 -1.221 522 2HD1 LEU 94 HD12 LEU 94 -5.057 -2.596 -1.230 523 3HD1 LEU 94 HD13 LEU 94 -3.888 -2.249 -2.506 524 1HD2 LEU 94 HD21 LEU 94 -4.672 0.671 -2.893 525 2HD2 LEU 94 HD22 LEU 94 -4.414 -0.472 -4.210 526 3HD2 LEU 94 HD23 LEU 94 -5.936 0.411 -4.095 527 H ARG 95 HN ARG 95 -6.721 -1.710 -6.680 528 HA ARG 95 HA ARG 95 -7.923 -4.289 -7.374 529 1HB ARG 95 HB2 ARG 95 -7.359 -2.112 -9.373 530 2HB ARG 95 HB3 ARG 95 -8.270 -3.586 -9.593 531 1HG ARG 95 HG2 ARG 95 -10.084 -2.347 -9.322 532 2HG ARG 95 HG3 ARG 95 -9.658 -2.297 -7.609 533 1HD ARG 95 HD2 ARG 95 -10.094 -0.055 -8.643 534 2HD ARG 95 HD3 ARG 95 -8.510 -0.219 -7.881 535 HE ARG 95 HE ARG 95 -8.423 -0.858 -10.663 536 1HH1 ARG 95 HH1 ARG 95 -8.560 1.882 -8.465 537 2HH1 ARG 95 HH1 ARG 95 -7.666 2.925 -9.533 538 1HH2 ARG 95 HH2 ARG 95 -7.301 0.529 -12.062 539 2HH2 ARG 95 HH2 ARG 95 -6.998 2.177 -11.599 540 H GLU 96 HN GLU 96 -6.641 -5.616 -8.641 541 HA GLU 96 HA GLU 96 -3.838 -5.287 -8.462 542 1HB GLU 96 HB2 GLU 96 -5.410 -7.232 -10.174 543 2HB GLU 96 HB3 GLU 96 -3.721 -7.384 -9.690 544 1HG GLU 96 HG2 GLU 96 -4.334 -7.668 -7.395 545 2HG GLU 96 HG3 GLU 96 -6.019 -7.303 -7.747 546 H GLY 97 HN GLY 97 -2.735 -3.902 -9.632 547 1HA GLY 97 HA1 GLY 97 -2.120 -3.008 -11.818 548 2HA GLY 97 HA2 GLY 97 -3.820 -3.091 -12.255 549 H GLN 98 HN GLN 98 -4.250 -2.091 -9.280 550 HA GLN 98 HA GLN 98 -4.218 0.731 -9.915 551 1HB GLN 98 HB2 GLN 98 -5.986 -0.337 -8.467 552 2HB GLN 98 HB3 GLN 98 -4.758 -0.557 -7.231 553 1HG GLN 98 HG2 GLN 98 -4.372 1.886 -7.223 554 2HG GLN 98 HG3 GLN 98 -5.703 2.067 -8.359 555 1HE2 GLN 98 HE21 GLN 98 -7.334 0.030 -7.112 556 2HE2 GLN 98 HE22 GLN 98 -7.931 0.715 -5.640 557 H GLU 99 HN GLU 99 -2.906 2.304 -9.006 558 HA GLU 99 HA GLU 99 -0.327 1.368 -8.054 559 1HB GLU 99 HB2 GLU 99 0.377 3.682 -8.283 560 2HB GLU 99 HB3 GLU 99 -0.437 3.145 -9.754 561 1HG GLU 99 HG2 GLU 99 -2.532 4.203 -8.770 562 2HG GLU 99 HG3 GLU 99 -1.457 4.994 -7.607 563 H VAL 100 HN VAL 100 0.644 2.003 -6.159 564 HA VAL 100 HA VAL 100 -0.901 3.633 -4.271 565 HB VAL 100 HB VAL 100 -0.049 2.293 -2.389 566 1HG1 VAL 100 HG11 VAL 100 -2.281 1.840 -3.221 567 2HG1 VAL 100 HG12 VAL 100 -1.630 0.675 -4.375 568 3HG1 VAL 100 HG13 VAL 100 -1.520 0.356 -2.644 569 1HG2 VAL 100 HG21 VAL 100 1.939 1.377 -3.463 570 2HG2 VAL 100 HG22 VAL 100 0.945 0.092 -2.768 571 3HG2 VAL 100 HG23 VAL 100 0.921 0.382 -4.507 572 H ILE 101 HN ILE 101 0.379 5.082 -3.092 573 HA ILE 101 HA ILE 101 3.231 5.097 -3.793 574 HB ILE 101 HB ILE 101 1.956 7.239 -2.127 575 1HG1 ILE 101 HG12 ILE 101 0.411 6.973 -4.005 576 2HG1 ILE 101 HG13 ILE 101 1.316 8.472 -4.159 577 1HG2 ILE 101 HG21 ILE 101 3.604 8.649 -3.275 578 2HG2 ILE 101 HG22 ILE 101 4.359 7.279 -2.460 579 3HG2 ILE 101 HG23 ILE 101 4.134 7.250 -4.209 580 1HD1 ILE 101 HD11 ILE 101 2.774 7.430 -5.800 581 2HD1 ILE 101 HD12 ILE 101 1.889 5.914 -5.624 582 3HD1 ILE 101 HD13 ILE 101 1.083 7.334 -6.293 583 H VAL 102 HN VAL 102 4.434 3.955 -2.441 584 HA VAL 102 HA VAL 102 3.866 3.951 0.435 585 HB VAL 102 HB VAL 102 4.104 1.412 0.391 586 1HG1 VAL 102 HG11 VAL 102 1.987 2.536 0.870 587 2HG1 VAL 102 HG12 VAL 102 1.635 2.616 -0.857 588 3HG1 VAL 102 HG13 VAL 102 1.732 1.051 -0.047 589 1HG2 VAL 102 HG21 VAL 102 4.928 1.152 -1.865 590 2HG2 VAL 102 HG22 VAL 102 3.380 0.321 -1.713 591 3HG2 VAL 102 HG23 VAL 102 3.464 1.886 -2.520 592 H GLN 103 HN GLN 103 5.666 3.582 1.682 593 HA GLN 103 HA GLN 103 8.153 3.153 0.172 594 1HB GLN 103 HB2 GLN 103 9.351 4.115 2.095 595 2HB GLN 103 HB3 GLN 103 8.185 5.236 1.419 596 1HG GLN 103 HG2 GLN 103 7.941 5.516 3.696 597 2HG GLN 103 HG3 GLN 103 6.631 4.419 3.293 598 1HE2 GLN 103 HE21 GLN 103 9.742 4.747 4.806 599 2HE2 GLN 103 HE22 GLN 103 9.683 3.282 5.715 600 H ILE 104 HN ILE 104 9.842 1.910 1.392 601 HA ILE 104 HA ILE 104 8.549 -0.409 2.642 602 HB ILE 104 HB ILE 104 11.036 -0.177 0.958 603 1HG1 ILE 104 HG12 ILE 104 8.931 -0.451 -0.226 604 2HG1 ILE 104 HG13 ILE 104 9.888 -1.924 -0.362 605 1HG2 ILE 104 HG21 ILE 104 11.636 -1.568 2.859 606 2HG2 ILE 104 HG22 ILE 104 10.204 -2.564 2.597 607 3HG2 ILE 104 HG23 ILE 104 11.492 -2.538 1.392 608 1HD1 ILE 104 HD11 ILE 104 7.532 -2.420 0.018 609 2HD1 ILE 104 HD12 ILE 104 8.515 -2.970 1.373 610 3HD1 ILE 104 HD13 ILE 104 7.567 -1.489 1.516 611 H ASP 105 HN ASP 105 8.565 0.096 4.729 612 HA ASP 105 HA ASP 105 10.913 1.159 6.030 613 1HB ASP 105 HB2 ASP 105 8.833 1.978 6.842 614 2HB ASP 105 HB3 ASP 105 8.178 0.361 7.027 615 H LYS 106 HN LYS 106 9.348 -1.928 5.608 616 HA LYS 106 HA LYS 106 11.599 -3.140 7.053 617 1HB LYS 106 HB2 LYS 106 8.760 -4.114 6.809 618 2HB LYS 106 HB3 LYS 106 10.081 -5.184 7.264 619 1HG LYS 106 HG2 LYS 106 9.085 -2.761 8.744 620 2HG LYS 106 HG3 LYS 106 9.042 -4.447 9.270 621 1HD LYS 106 HD2 LYS 106 11.496 -4.483 9.312 622 2HD LYS 106 HD3 LYS 106 11.524 -2.795 8.804 623 1HE LYS 106 HE2 LYS 106 10.474 -3.917 11.393 624 2HE LYS 106 HE3 LYS 106 11.871 -2.867 11.165 625 1HZ LYS 106 HZ1 LYS 106 9.012 -2.203 11.075 626 2HZ LYS 106 HZ2 LYS 106 10.087 -1.275 10.154 627 3HZ LYS 106 HZ3 LYS 106 10.284 -1.378 11.832 628 H GLU 107 HN GLU 107 12.705 -4.789 6.069 629 HA GLU 107 HA GLU 107 12.615 -4.491 3.178 630 1HB GLU 107 HB2 GLU 107 14.795 -5.373 5.073 631 2HB GLU 107 HB3 GLU 107 14.975 -5.148 3.349 632 1HG GLU 107 HG2 GLU 107 14.722 -2.822 3.501 633 2HG GLU 107 HG3 GLU 107 14.084 -2.926 5.141 634 H GLU 108 HN GLU 108 13.174 -6.357 1.857 635 HA GLU 108 HA GLU 108 11.580 -8.560 2.309 636 1HB GLU 108 HB2 GLU 108 12.749 -7.814 0.149 637 2HB GLU 108 HB3 GLU 108 14.127 -8.750 0.717 638 1HG GLU 108 HG2 GLU 108 12.699 -10.743 0.834 639 2HG GLU 108 HG3 GLU 108 11.353 -9.791 0.210 640 H ARG 109 HN ARG 109 11.648 -9.981 3.860 641 HA ARG 109 HA ARG 109 14.145 -11.221 4.680 642 1HB ARG 109 HB2 ARG 109 13.568 -10.823 7.093 643 2HB ARG 109 HB3 ARG 109 14.052 -9.383 6.215 644 1HG ARG 109 HG2 ARG 109 11.726 -8.733 5.984 645 2HG ARG 109 HG3 ARG 109 11.220 -10.190 6.834 646 1HD ARG 109 HD2 ARG 109 13.009 -8.067 8.001 647 2HD ARG 109 HD3 ARG 109 11.265 -8.151 8.254 648 HE ARG 109 HE ARG 109 12.641 -10.587 8.932 649 1HH1 ARG 109 HH1 ARG 109 11.794 -7.401 10.103 650 2HH1 ARG 109 HH1 ARG 109 11.740 -7.887 11.768 651 1HH2 ARG 109 HH2 ARG 109 12.614 -11.231 11.095 652 2HH2 ARG 109 HH2 ARG 109 12.207 -10.086 12.343 653 H GLY 110 HN GLY 110 12.256 -12.422 3.204 654 1HA GLY 110 HA1 GLY 110 11.278 -14.500 3.164 655 2HA GLY 110 HA2 GLY 110 11.606 -14.638 4.880 656 H ASN 111 HN ASN 111 10.035 -13.988 6.377 657 HA ASN 111 HA ASN 111 7.511 -14.888 5.567 658 1HB ASN 111 HB2 ASN 111 8.294 -15.223 7.827 659 2HB ASN 111 HB3 ASN 111 8.327 -13.487 8.117 660 1HD2 ASN 111 HD21 ASN 111 6.318 -16.296 7.737 661 2HD2 ASN 111 HD22 ASN 111 4.866 -15.591 8.374 662 H LYS 112 HN LYS 112 8.489 -11.548 6.435 663 HA LYS 112 HA LYS 112 5.910 -10.701 5.313 664 1HB LYS 112 HB2 LYS 112 6.098 -10.046 7.637 665 2HB LYS 112 HB3 LYS 112 7.666 -9.314 7.339 666 1HG LYS 112 HG2 LYS 112 5.934 -7.622 7.544 667 2HG LYS 112 HG3 LYS 112 6.622 -7.625 5.921 668 1HD LYS 112 HD2 LYS 112 4.701 -8.960 5.137 669 2HD LYS 112 HD3 LYS 112 4.007 -8.881 6.757 670 1HE LYS 112 HE2 LYS 112 4.664 -6.458 5.089 671 2HE LYS 112 HE3 LYS 112 3.076 -7.223 5.123 672 1HZ LYS 112 HZ1 LYS 112 2.855 -6.716 7.430 673 2HZ LYS 112 HZ2 LYS 112 3.303 -5.289 6.635 674 3HZ LYS 112 HZ3 LYS 112 4.451 -6.152 7.534 675 H GLY 113 HN GLY 113 9.335 -9.942 5.474 676 1HA GLY 113 HA1 GLY 113 10.745 -9.126 3.884 677 2HA GLY 113 HA2 GLY 113 9.518 -9.563 2.702 678 H ALA 114 HN ALA 114 8.867 -7.968 1.532 679 HA ALA 114 HA ALA 114 9.517 -5.264 2.155 680 1HB ALA 114 HB1 ALA 114 8.572 -4.747 -0.004 681 2HB ALA 114 HB2 ALA 114 9.576 -6.193 -0.130 682 3HB ALA 114 HB3 ALA 114 7.817 -6.339 -0.090 683 H ALA 115 HN ALA 115 8.404 -4.417 3.833 684 HA ALA 115 HA ALA 115 5.493 -4.754 3.903 685 1HB ALA 115 HB1 ALA 115 5.616 -3.814 6.159 686 2HB ALA 115 HB2 ALA 115 6.664 -5.223 5.977 687 3HB ALA 115 HB3 ALA 115 7.357 -3.602 5.972 688 H LEU 116 HN LEU 116 4.203 -3.224 3.187 689 HA LEU 116 HA LEU 116 5.295 -0.609 2.513 690 1HB LEU 116 HB2 LEU 116 2.493 -1.640 2.078 691 2HB LEU 116 HB3 LEU 116 3.227 -0.234 1.335 692 HG LEU 116 HG LEU 116 4.080 -3.083 0.828 693 1HD1 LEU 116 HD11 LEU 116 1.864 -2.698 -0.031 694 2HD1 LEU 116 HD12 LEU 116 2.387 -1.194 -0.789 695 3HD1 LEU 116 HD13 LEU 116 3.019 -2.736 -1.364 696 1HD2 LEU 116 HD21 LEU 116 4.805 -0.536 -0.604 697 2HD2 LEU 116 HD22 LEU 116 5.845 -1.381 0.539 698 3HD2 LEU 116 HD23 LEU 116 5.383 -2.160 -0.973 699 H THR 117 HN THR 117 4.825 1.215 3.603 700 HA THR 117 HA THR 117 3.032 1.040 5.912 701 HB THR 117 HB THR 117 5.383 2.103 6.031 702 HG1 THR 117 HG1 THR 117 4.650 3.260 7.698 703 1HG2 THR 117 HG21 THR 117 5.147 3.422 3.957 704 2HG2 THR 117 HG22 THR 117 5.560 4.421 5.351 705 3HG2 THR 117 HG23 THR 117 3.905 4.395 4.741 706 H THR 118 HN THR 118 1.571 2.967 6.247 707 HA THR 118 HA THR 118 0.793 4.244 3.724 708 HB THR 118 HB THR 118 -1.621 4.103 4.723 709 HG1 THR 118 HG1 THR 118 -1.941 2.317 6.016 710 1HG2 THR 118 HG21 THR 118 -0.958 3.107 2.602 711 2HG2 THR 118 HG22 THR 118 -2.003 2.005 3.498 712 3HG2 THR 118 HG23 THR 118 -0.261 1.728 3.452 713 H PHE 119 HN PHE 119 2.100 4.818 6.521 714 HA PHE 119 HA PHE 119 0.577 7.135 7.341 715 1HB PHE 119 HB2 PHE 119 3.380 6.245 8.086 716 2HB PHE 119 HB3 PHE 119 2.516 7.590 8.827 717 HD1 PHE 119 HD1 PHE 119 0.411 7.119 10.109 718 HD2 PHE 119 HD2 PHE 119 3.029 4.034 8.795 719 HE1 PHE 119 HE1 PHE 119 -0.583 5.578 11.752 720 HE2 PHE 119 HE2 PHE 119 2.040 2.489 10.431 721 HZ PHE 119 HZ PHE 119 0.169 3.250 11.867 722 H ILE 120 HN ILE 120 0.624 7.570 4.931 723 HA ILE 120 HA ILE 120 2.933 9.236 4.179 724 HB ILE 120 HB ILE 120 1.403 7.535 2.202 725 1HG1 ILE 120 HG12 ILE 120 3.958 6.722 3.603 726 2HG1 ILE 120 HG13 ILE 120 2.368 6.101 4.029 727 1HG2 ILE 120 HG21 ILE 120 4.130 8.820 2.185 728 2HG2 ILE 120 HG22 ILE 120 3.551 7.711 0.940 729 3HG2 ILE 120 HG23 ILE 120 2.735 9.252 1.197 730 1HD1 ILE 120 HD11 ILE 120 2.157 5.149 1.782 731 2HD1 ILE 120 HD12 ILE 120 3.771 5.747 1.392 732 3HD1 ILE 120 HD13 ILE 120 3.563 4.524 2.647 733 H SER 121 HN SER 121 2.167 10.543 2.096 734 HA SER 121 HA SER 121 0.016 12.187 2.995 735 1HB SER 121 HB2 SER 121 1.520 12.288 0.381 736 2HB SER 121 HB3 SER 121 0.625 13.605 1.139 737 HG SER 121 HG SER 121 2.977 13.605 1.456 738 H LEU 122 HN LEU 122 -0.872 9.518 2.283 739 HA LEU 122 HA LEU 122 -2.533 10.109 -0.065 740 1HB LEU 122 HB2 LEU 122 -1.316 7.552 0.883 741 2HB LEU 122 HB3 LEU 122 -2.742 7.536 -0.134 742 HG LEU 122 HG LEU 122 -1.162 9.133 -1.607 743 1HD1 LEU 122 HD11 LEU 122 0.698 8.975 -0.033 744 2HD1 LEU 122 HD12 LEU 122 0.698 7.219 -0.218 745 3HD1 LEU 122 HD13 LEU 122 1.098 8.250 -1.592 746 1HD2 LEU 122 HD21 LEU 122 -2.357 7.073 -2.279 747 2HD2 LEU 122 HD22 LEU 122 -0.744 7.207 -2.987 748 3HD2 LEU 122 HD23 LEU 122 -1.026 6.122 -1.623 749 H ALA 123 HN ALA 123 -4.553 10.399 0.347 750 HA ALA 123 HA ALA 123 -6.364 8.626 1.150 751 1HB ALA 123 HB1 ALA 123 -5.399 8.500 3.409 752 2HB ALA 123 HB2 ALA 123 -5.698 10.228 3.630 753 3HB ALA 123 HB3 ALA 123 -7.054 9.111 3.446 754 H GLY 124 HN GLY 124 -5.964 10.834 -0.540 755 1HA GLY 124 HA1 GLY 124 -7.407 12.424 -1.462 756 2HA GLY 124 HA2 GLY 124 -8.348 12.408 0.028 757 H SER 125 HN SER 125 -7.758 13.713 1.734 758 HA SER 125 HA SER 125 -5.273 15.193 1.649 759 1HB SER 125 HB2 SER 125 -7.948 16.620 1.623 760 2HB SER 125 HB3 SER 125 -6.390 17.394 1.917 761 HG SER 125 HG SER 125 -6.366 15.887 -0.352 Start of MODEL 7 1 1H GLY 30 H1 GLY 30 20.787 6.883 -0.273 2 2H GLY 30 H2 GLY 30 19.983 6.049 -1.510 3 3H GLY 30 H3 GLY 30 20.226 5.306 -0.004 4 1HA GLY 30 HA2 GLY 30 17.949 6.024 -0.192 5 2HA GLY 30 HA1 GLY 30 18.787 6.938 1.056 6 H SER 31 HN SER 31 16.427 7.549 -0.676 7 HA SER 31 HA SER 31 17.408 9.782 -2.290 8 1HB SER 31 HB2 SER 31 14.574 8.759 -1.941 9 2HB SER 31 HB3 SER 31 15.144 9.893 -3.167 10 HG SER 31 HG SER 31 16.678 7.926 -3.574 11 H HIS 32 HN HIS 32 18.095 10.601 -0.041 12 HA HIS 32 HA HIS 32 16.278 11.389 1.905 13 1HB HIS 32 HB2 HIS 32 18.096 13.065 2.573 14 2HB HIS 32 HB3 HIS 32 18.512 11.357 2.577 15 HD1 HIS 32 HD1 HIS 32 20.533 10.701 1.315 16 HD2 HIS 32 HD2 HIS 32 19.146 14.468 0.201 17 HE1 HIS 32 HE1 HIS 32 22.245 11.614 -0.286 18 HE2 HIS 32 HE2 HIS 32 21.325 13.827 -1.056 19 H MET 33 HN MET 33 16.926 12.933 -1.146 20 HA MET 33 HA MET 33 15.966 15.509 -0.426 21 1HB MET 33 HB2 MET 33 16.059 14.139 -3.112 22 2HB MET 33 HB3 MET 33 15.585 15.816 -2.886 23 1HG MET 33 HG2 MET 33 17.807 16.272 -1.912 24 2HG MET 33 HG3 MET 33 18.271 14.609 -2.263 25 1HE MET 33 HE1 MET 33 20.386 15.417 -3.652 26 2HE MET 33 HE2 MET 33 20.300 16.617 -4.942 27 3HE MET 33 HE3 MET 33 19.971 17.091 -3.275 28 H LEU 34 HN LEU 34 14.456 12.541 -1.196 29 HA LEU 34 HA LEU 34 11.818 13.809 -1.347 30 1HB LEU 34 HB2 LEU 34 12.630 10.980 -1.994 31 2HB LEU 34 HB3 LEU 34 11.020 11.647 -2.182 32 HG LEU 34 HG LEU 34 13.462 12.556 -3.708 33 1HD1 LEU 34 HD11 LEU 34 12.402 11.485 -5.631 34 2HD1 LEU 34 HD12 LEU 34 12.752 10.313 -4.359 35 3HD1 LEU 34 HD13 LEU 34 11.104 10.895 -4.592 36 1HD2 LEU 34 HD21 LEU 34 11.844 14.353 -3.368 37 2HD2 LEU 34 HD22 LEU 34 11.862 13.834 -5.053 38 3HD2 LEU 34 HD23 LEU 34 10.555 13.320 -3.985 39 H GLU 35 HN GLU 35 13.582 11.219 0.225 40 HA GLU 35 HA GLU 35 11.567 10.366 1.978 41 1HB GLU 35 HB2 GLU 35 14.565 10.172 2.035 42 2HB GLU 35 HB3 GLU 35 13.584 9.529 3.346 43 1HG GLU 35 HG2 GLU 35 12.565 7.942 1.965 44 2HG GLU 35 HG3 GLU 35 13.106 8.754 0.492 45 H GLN 36 HN GLN 36 14.446 12.264 2.797 46 HA GLN 36 HA GLN 36 14.852 13.935 4.257 47 1HB GLN 36 HB2 GLN 36 11.881 14.366 4.528 48 2HB GLN 36 HB3 GLN 36 13.175 15.540 4.735 49 1HG GLN 36 HG2 GLN 36 13.691 15.291 2.313 50 2HG GLN 36 HG3 GLN 36 12.259 14.269 2.172 51 1HE2 GLN 36 HE21 GLN 36 11.315 15.687 0.723 52 2HE2 GLN 36 HE22 GLN 36 10.640 17.203 1.218 53 H LYS 37 HN LYS 37 11.786 12.641 5.508 54 HA LYS 37 HA LYS 37 13.222 11.841 7.952 55 1HB LYS 37 HB2 LYS 37 11.713 13.812 8.276 56 2HB LYS 37 HB3 LYS 37 10.362 12.805 7.779 57 1HG LYS 37 HG2 LYS 37 10.869 11.290 9.688 58 2HG LYS 37 HG3 LYS 37 12.088 12.451 10.221 59 1HD LYS 37 HD2 LYS 37 10.076 12.864 11.452 60 2HD LYS 37 HD3 LYS 37 10.299 14.186 10.304 61 1HE LYS 37 HE2 LYS 37 8.767 12.874 8.746 62 2HE LYS 37 HE3 LYS 37 8.374 11.881 10.148 63 1HZ LYS 37 HZ1 LYS 37 6.739 13.569 9.977 64 2HZ LYS 37 HZ2 LYS 37 7.910 14.786 9.811 65 3HZ LYS 37 HZ3 LYS 37 7.731 13.987 11.293 66 H LYS 38 HN LYS 38 11.127 10.995 5.371 67 HA LYS 38 HA LYS 38 10.040 8.678 6.741 68 1HB LYS 38 HB2 LYS 38 8.760 8.283 4.728 69 2HB LYS 38 HB3 LYS 38 8.603 9.969 5.204 70 1HG LYS 38 HG2 LYS 38 10.039 10.667 3.439 71 2HG LYS 38 HG3 LYS 38 10.470 8.992 3.055 72 1HD LYS 38 HD2 LYS 38 8.369 8.529 2.171 73 2HD LYS 38 HD3 LYS 38 7.611 9.895 2.987 74 1HE LYS 38 HE2 LYS 38 9.692 10.256 0.854 75 2HE LYS 38 HE3 LYS 38 7.981 10.072 0.470 76 1HZ LYS 38 HZ1 LYS 38 8.516 12.389 0.595 77 2HZ LYS 38 HZ2 LYS 38 9.202 12.209 2.131 78 3HZ LYS 38 HZ3 LYS 38 7.533 11.997 1.919 79 H ALA 39 HN ALA 39 10.038 6.603 5.353 80 HA ALA 39 HA ALA 39 12.788 5.989 4.642 81 1HB ALA 39 HB1 ALA 39 11.547 4.380 6.014 82 2HB ALA 39 HB2 ALA 39 10.351 4.202 4.728 83 3HB ALA 39 HB3 ALA 39 12.014 3.673 4.466 84 H ASN 40 HN ASN 40 12.900 4.485 2.584 85 HA ASN 40 HA ASN 40 12.424 6.211 0.433 86 1HB ASN 40 HB2 ASN 40 14.172 4.410 0.631 87 2HB ASN 40 HB3 ASN 40 12.934 3.257 0.170 88 1HD2 ASN 40 HD21 ASN 40 14.732 6.085 -0.854 89 2HD2 ASN 40 HD22 ASN 40 14.518 5.832 -2.558 90 H ILE 41 HN ILE 41 10.770 6.516 -0.824 91 HA ILE 41 HA ILE 41 8.369 4.964 -0.291 92 HB ILE 41 HB ILE 41 8.558 7.543 -0.174 93 1HG1 ILE 41 HG12 ILE 41 6.215 7.774 -1.034 94 2HG1 ILE 41 HG13 ILE 41 6.339 6.120 -1.628 95 1HG2 ILE 41 HG21 ILE 41 8.034 8.711 -2.256 96 2HG2 ILE 41 HG22 ILE 41 9.603 7.910 -2.321 97 3HG2 ILE 41 HG23 ILE 41 8.215 7.196 -3.142 98 1HD1 ILE 41 HD11 ILE 41 6.571 7.013 1.228 99 2HD1 ILE 41 HD12 ILE 41 5.213 6.155 0.497 100 3HD1 ILE 41 HD13 ILE 41 6.780 5.357 0.661 101 H TYR 42 HN TYR 42 7.159 3.967 -1.924 102 HA TYR 42 HA TYR 42 8.509 3.787 -4.531 103 1HB TYR 42 HB2 TYR 42 7.286 1.514 -2.954 104 2HB TYR 42 HB3 TYR 42 7.925 1.386 -4.590 105 HD1 TYR 42 HD1 TYR 42 8.694 1.305 -1.089 106 HD2 TYR 42 HD2 TYR 42 10.398 1.823 -4.951 107 HE1 TYR 42 HE1 TYR 42 10.917 0.809 -0.167 108 HE2 TYR 42 HE2 TYR 42 12.628 1.328 -4.041 109 HH TYR 42 HH TYR 42 13.102 -0.074 -1.042 110 H LYS 43 HN LYS 43 7.252 3.686 -6.291 111 HA LYS 43 HA LYS 43 4.331 3.751 -5.891 112 1HB LYS 43 HB2 LYS 43 4.878 5.790 -6.927 113 2HB LYS 43 HB3 LYS 43 6.139 5.063 -7.913 114 1HG LYS 43 HG2 LYS 43 4.344 5.632 -9.352 115 2HG LYS 43 HG3 LYS 43 4.332 3.876 -9.186 116 1HD LYS 43 HD2 LYS 43 2.097 4.405 -8.952 117 2HD LYS 43 HD3 LYS 43 2.638 4.347 -7.272 118 1HE LYS 43 HE2 LYS 43 1.327 6.304 -7.497 119 2HE LYS 43 HE3 LYS 43 3.011 6.824 -7.425 120 1HZ LYS 43 HZ1 LYS 43 1.230 6.695 -9.789 121 2HZ LYS 43 HZ2 LYS 43 2.915 6.823 -9.942 122 3HZ LYS 43 HZ3 LYS 43 2.041 8.045 -9.153 123 H GLY 44 HN GLY 44 3.355 1.973 -6.417 124 1HA GLY 44 HA1 GLY 44 4.131 0.492 -8.792 125 2HA GLY 44 HA2 GLY 44 4.309 -0.368 -7.265 126 H LYS 45 HN LYS 45 2.650 -1.578 -8.848 127 HA LYS 45 HA LYS 45 -0.014 -0.648 -8.025 128 1HB LYS 45 HB2 LYS 45 0.868 -2.082 -10.511 129 2HB LYS 45 HB3 LYS 45 -0.821 -2.068 -9.977 130 1HG LYS 45 HG2 LYS 45 -0.911 0.328 -10.119 131 2HG LYS 45 HG3 LYS 45 0.809 0.416 -10.481 132 1HD LYS 45 HD2 LYS 45 -0.869 -1.230 -12.277 133 2HD LYS 45 HD3 LYS 45 -1.067 0.522 -12.367 134 1HE LYS 45 HE2 LYS 45 1.380 0.732 -12.653 135 2HE LYS 45 HE3 LYS 45 1.492 -1.028 -12.706 136 1HZ LYS 45 HZ1 LYS 45 -0.026 0.680 -14.602 137 2HZ LYS 45 HZ2 LYS 45 0.049 -1.015 -14.655 138 3HZ LYS 45 HZ3 LYS 45 1.445 -0.095 -14.923 139 H ILE 46 HN ILE 46 -1.599 -2.215 -7.643 140 HA ILE 46 HA ILE 46 -0.734 -4.366 -6.020 141 HB ILE 46 HB ILE 46 -3.352 -3.328 -6.995 142 1HG1 ILE 46 HG12 ILE 46 -3.856 -3.488 -4.551 143 2HG1 ILE 46 HG13 ILE 46 -2.234 -4.122 -4.297 144 1HG2 ILE 46 HG21 ILE 46 -3.519 -5.711 -7.447 145 2HG2 ILE 46 HG22 ILE 46 -3.009 -6.072 -5.797 146 3HG2 ILE 46 HG23 ILE 46 -4.541 -5.251 -6.087 147 1HD1 ILE 46 HD11 ILE 46 -2.926 -1.398 -5.370 148 2HD1 ILE 46 HD12 ILE 46 -2.343 -1.770 -3.747 149 3HD1 ILE 46 HD13 ILE 46 -1.295 -2.030 -5.141 150 H THR 47 HN THR 47 -0.510 -6.487 -6.464 151 HA THR 47 HA THR 47 -1.169 -7.361 -9.198 152 HB THR 47 HB THR 47 0.843 -8.812 -9.094 153 HG1 THR 47 HG1 THR 47 1.716 -7.204 -6.935 154 1HG2 THR 47 HG21 THR 47 0.828 -6.627 -10.202 155 2HG2 THR 47 HG22 THR 47 2.401 -6.972 -9.481 156 3HG2 THR 47 HG23 THR 47 1.285 -5.863 -8.678 157 H ARG 48 HN ARG 48 -1.271 -8.000 -5.831 158 HA ARG 48 HA ARG 48 -3.024 -10.241 -6.395 159 1HB ARG 48 HB2 ARG 48 -0.746 -11.223 -6.018 160 2HB ARG 48 HB3 ARG 48 -0.763 -10.508 -4.408 161 1HG ARG 48 HG2 ARG 48 -2.974 -11.765 -4.070 162 2HG ARG 48 HG3 ARG 48 -2.492 -12.709 -5.477 163 1HD ARG 48 HD2 ARG 48 -0.561 -12.341 -3.243 164 2HD ARG 48 HD3 ARG 48 -1.891 -13.480 -3.039 165 HE ARG 48 HE ARG 48 -0.176 -13.732 -5.408 166 1HH1 ARG 48 HH1 ARG 48 -1.315 -14.947 -2.330 167 2HH1 ARG 48 HH1 ARG 48 -0.516 -16.481 -2.480 168 1HH2 ARG 48 HH2 ARG 48 0.870 -15.761 -5.636 169 2HH2 ARG 48 HH2 ARG 48 0.722 -16.947 -4.380 170 H ILE 49 HN ILE 49 -4.814 -9.865 -5.306 171 HA ILE 49 HA ILE 49 -4.602 -8.813 -2.571 172 HB ILE 49 HB ILE 49 -6.760 -8.107 -4.574 173 1HG1 ILE 49 HG12 ILE 49 -4.784 -6.305 -3.190 174 2HG1 ILE 49 HG13 ILE 49 -4.532 -6.928 -4.820 175 1HG2 ILE 49 HG21 ILE 49 -7.676 -8.365 -2.346 176 2HG2 ILE 49 HG22 ILE 49 -6.409 -7.327 -1.688 177 3HG2 ILE 49 HG23 ILE 49 -7.615 -6.656 -2.784 178 1HD1 ILE 49 HD11 ILE 49 -6.723 -5.098 -3.871 179 2HD1 ILE 49 HD12 ILE 49 -5.402 -4.725 -4.987 180 3HD1 ILE 49 HD13 ILE 49 -6.679 -5.844 -5.471 181 H GLU 50 HN GLU 50 -5.112 -10.434 -1.291 182 HA GLU 50 HA GLU 50 -6.979 -12.473 -2.288 183 1HB GLU 50 HB2 GLU 50 -4.531 -12.953 -1.530 184 2HB GLU 50 HB3 GLU 50 -5.180 -12.808 0.096 185 1HG GLU 50 HG2 GLU 50 -6.610 -14.665 -0.214 186 2HG GLU 50 HG3 GLU 50 -6.305 -14.692 -1.951 187 HA PRO 51 HA PRO 51 -9.927 -10.544 0.325 188 1HB PRO 51 HB2 PRO 51 -11.579 -12.937 0.033 189 2HB PRO 51 HB3 PRO 51 -11.856 -11.305 -0.576 190 1HG PRO 51 HG2 PRO 51 -11.231 -13.410 -2.178 191 2HG PRO 51 HG3 PRO 51 -10.829 -11.732 -2.568 192 1HD PRO 51 HD2 PRO 51 -9.082 -13.914 -1.540 193 2HD PRO 51 HD3 PRO 51 -8.701 -12.586 -2.654 194 H SER 52 HN SER 52 -8.908 -13.855 0.901 195 HA SER 52 HA SER 52 -10.247 -14.055 3.422 196 1HB SER 52 HB2 SER 52 -9.800 -16.026 1.984 197 2HB SER 52 HB3 SER 52 -8.074 -15.821 2.280 198 HG SER 52 HG SER 52 -8.766 -15.946 4.611 199 H LEU 53 HN LEU 53 -7.389 -12.512 2.474 200 HA LEU 53 HA LEU 53 -6.495 -12.557 5.268 201 1HB LEU 53 HB2 LEU 53 -4.138 -12.348 4.434 202 2HB LEU 53 HB3 LEU 53 -4.905 -13.904 4.203 203 HG LEU 53 HG LEU 53 -5.361 -13.159 1.806 204 1HD1 LEU 53 HD11 LEU 53 -3.875 -11.450 0.905 205 2HD1 LEU 53 HD12 LEU 53 -4.974 -10.771 2.106 206 3HD1 LEU 53 HD13 LEU 53 -3.293 -11.092 2.531 207 1HD2 LEU 53 HD21 LEU 53 -3.682 -14.805 2.392 208 2HD2 LEU 53 HD22 LEU 53 -3.099 -13.763 1.094 209 3HD2 LEU 53 HD23 LEU 53 -2.522 -13.523 2.744 210 H GLU 54 HN GLU 54 -7.773 -10.593 2.986 211 HA GLU 54 HA GLU 54 -7.962 -8.360 2.781 212 1HB GLU 54 HB2 GLU 54 -8.252 -7.162 4.926 213 2HB GLU 54 HB3 GLU 54 -9.147 -8.668 4.842 214 1HG GLU 54 HG2 GLU 54 -7.476 -9.752 6.243 215 2HG GLU 54 HG3 GLU 54 -6.543 -8.258 6.298 216 H ALA 55 HN ALA 55 -5.634 -8.804 1.833 217 HA ALA 55 HA ALA 55 -4.188 -6.435 2.455 218 1HB ALA 55 HB1 ALA 55 -2.065 -7.459 3.047 219 2HB ALA 55 HB2 ALA 55 -3.313 -7.886 4.217 220 3HB ALA 55 HB3 ALA 55 -2.808 -9.058 2.998 221 H ALA 56 HN ALA 56 -2.316 -6.137 0.962 222 HA ALA 56 HA ALA 56 -2.833 -7.566 -1.571 223 1HB ALA 56 HB1 ALA 56 -2.751 -5.447 -2.767 224 2HB ALA 56 HB2 ALA 56 -4.041 -5.450 -1.566 225 3HB ALA 56 HB3 ALA 56 -2.539 -4.587 -1.244 226 H PHE 57 HN PHE 57 -1.161 -8.013 -2.825 227 HA PHE 57 HA PHE 57 1.525 -7.240 -1.991 228 1HB PHE 57 HB2 PHE 57 0.441 -9.210 -3.995 229 2HB PHE 57 HB3 PHE 57 2.140 -8.752 -3.996 230 HD1 PHE 57 HD1 PHE 57 3.498 -9.206 -1.918 231 HD2 PHE 57 HD2 PHE 57 -0.387 -10.820 -2.525 232 HE1 PHE 57 HE1 PHE 57 3.939 -10.902 -0.189 233 HE2 PHE 57 HE2 PHE 57 0.043 -12.521 -0.802 234 HZ PHE 57 HZ PHE 57 2.235 -12.602 0.323 235 H VAL 58 HN VAL 58 2.622 -5.669 -2.926 236 HA VAL 58 HA VAL 58 1.624 -4.586 -5.482 237 HB VAL 58 HB VAL 58 3.265 -3.202 -3.341 238 1HG1 VAL 58 HG11 VAL 58 3.289 -1.247 -4.716 239 2HG1 VAL 58 HG12 VAL 58 3.923 -2.580 -5.679 240 3HG1 VAL 58 HG13 VAL 58 2.271 -2.023 -5.931 241 1HG2 VAL 58 HG21 VAL 58 0.481 -2.694 -4.386 242 2HG2 VAL 58 HG22 VAL 58 0.895 -3.367 -2.806 243 3HG2 VAL 58 HG23 VAL 58 1.332 -1.702 -3.201 244 H ASP 59 HN ASP 59 2.871 -4.632 -7.218 245 HA ASP 59 HA ASP 59 5.491 -5.917 -6.938 246 1HB ASP 59 HB2 ASP 59 3.678 -6.938 -8.387 247 2HB ASP 59 HB3 ASP 59 3.878 -5.543 -9.464 248 H TYR 60 HN TYR 60 6.808 -4.187 -6.497 249 HA TYR 60 HA TYR 60 7.218 -2.387 -8.788 250 1HB TYR 60 HB2 TYR 60 8.066 -0.700 -7.111 251 2HB TYR 60 HB3 TYR 60 6.345 -1.032 -6.983 252 HD1 TYR 60 HD1 TYR 60 5.584 -2.674 -5.164 253 HD2 TYR 60 HD2 TYR 60 9.466 -0.951 -5.239 254 HE1 TYR 60 HE1 TYR 60 5.845 -3.167 -2.773 255 HE2 TYR 60 HE2 TYR 60 9.742 -1.445 -2.853 256 HH TYR 60 HH TYR 60 7.684 -3.501 -1.151 257 H GLY 61 HN GLY 61 8.539 -4.376 -9.318 258 1HA GLY 61 HA1 GLY 61 10.545 -5.493 -9.459 259 2HA GLY 61 HA2 GLY 61 11.283 -4.016 -8.860 260 H ALA 62 HN ALA 62 8.940 -5.278 -6.759 261 HA ALA 62 HA ALA 62 10.982 -5.881 -4.805 262 1HB ALA 62 HB1 ALA 62 7.972 -5.948 -4.521 263 2HB ALA 62 HB2 ALA 62 9.148 -6.033 -3.203 264 3HB ALA 62 HB3 ALA 62 9.002 -4.560 -4.165 265 H GLU 63 HN GLU 63 11.870 -7.799 -4.802 266 HA GLU 63 HA GLU 63 10.656 -10.086 -6.017 267 1HB GLU 63 HB2 GLU 63 13.166 -9.831 -4.355 268 2HB GLU 63 HB3 GLU 63 12.718 -11.232 -5.322 269 1HG GLU 63 HG2 GLU 63 12.978 -10.052 -7.339 270 2HG GLU 63 HG3 GLU 63 13.047 -8.498 -6.510 271 H ARG 64 HN ARG 64 10.748 -8.751 -2.859 272 HA ARG 64 HA ARG 64 9.653 -11.200 -1.713 273 1HB ARG 64 HB2 ARG 64 10.344 -8.551 -0.439 274 2HB ARG 64 HB3 ARG 64 9.676 -9.928 0.427 275 1HG ARG 64 HG2 ARG 64 12.271 -10.010 -1.094 276 2HG ARG 64 HG3 ARG 64 12.151 -9.648 0.627 277 1HD ARG 64 HD2 ARG 64 12.708 -11.981 0.317 278 2HD ARG 64 HD3 ARG 64 11.089 -11.838 0.992 279 HE ARG 64 HE ARG 64 10.876 -12.007 -1.795 280 1HH1 ARG 64 HH1 ARG 64 11.942 -14.022 0.867 281 2HH1 ARG 64 HH1 ARG 64 11.384 -15.501 0.134 282 1HH2 ARG 64 HH2 ARG 64 10.150 -13.940 -2.760 283 2HH2 ARG 64 HH2 ARG 64 10.334 -15.448 -1.916 284 H HIS 65 HN HIS 65 8.599 -8.597 -3.406 285 HA HIS 65 HA HIS 65 6.611 -7.621 -3.861 286 1HB HIS 65 HB2 HIS 65 5.983 -10.363 -3.137 287 2HB HIS 65 HB3 HIS 65 4.637 -9.272 -2.809 288 HD1 HIS 65 HD1 HIS 65 3.217 -10.165 -4.768 289 HD2 HIS 65 HD2 HIS 65 6.916 -8.678 -5.920 290 HE1 HIS 65 HE1 HIS 65 3.081 -9.875 -7.253 291 HE2 HIS 65 HE2 HIS 65 5.317 -8.934 -7.937 292 H GLY 66 HN GLY 66 6.278 -5.784 -2.839 293 1HA GLY 66 HA1 GLY 66 6.193 -5.459 -0.050 294 2HA GLY 66 HA2 GLY 66 5.609 -4.287 -1.224 295 H PHE 67 HN PHE 67 4.673 -5.911 1.376 296 HA PHE 67 HA PHE 67 2.006 -6.575 0.328 297 1HB PHE 67 HB2 PHE 67 3.507 -8.393 1.337 298 2HB PHE 67 HB3 PHE 67 3.194 -7.620 2.879 299 HD1 PHE 67 HD1 PHE 67 0.937 -8.259 0.006 300 HD2 PHE 67 HD2 PHE 67 1.848 -9.097 4.077 301 HE1 PHE 67 HE1 PHE 67 -1.120 -9.590 0.186 302 HE2 PHE 67 HE2 PHE 67 -0.214 -10.431 4.265 303 HZ PHE 67 HZ PHE 67 -1.707 -10.675 2.312 304 H LEU 68 HN LEU 68 0.708 -4.947 0.689 305 HA LEU 68 HA LEU 68 0.899 -3.333 3.108 306 1HB LEU 68 HB2 LEU 68 0.228 -2.772 0.475 307 2HB LEU 68 HB3 LEU 68 -1.315 -2.776 1.300 308 HG LEU 68 HG LEU 68 1.045 -1.018 1.924 309 1HD1 LEU 68 HD11 LEU 68 -0.192 -0.332 -0.035 310 2HD1 LEU 68 HD12 LEU 68 -1.714 -0.449 0.849 311 3HD1 LEU 68 HD13 LEU 68 -0.524 0.770 1.300 312 1HD2 LEU 68 HD21 LEU 68 -0.381 0.015 3.612 313 2HD2 LEU 68 HD22 LEU 68 -1.627 -1.199 3.311 314 3HD2 LEU 68 HD23 LEU 68 -0.068 -1.680 3.987 315 HA PRO 69 HA PRO 69 -2.542 -5.682 4.957 316 1HB PRO 69 HB2 PRO 69 -2.133 -3.609 7.029 317 2HB PRO 69 HB3 PRO 69 -2.177 -5.366 7.198 318 1HG PRO 69 HG2 PRO 69 0.121 -4.021 7.410 319 2HG PRO 69 HG3 PRO 69 0.055 -5.607 6.617 320 1HD PRO 69 HD2 PRO 69 0.171 -2.876 5.382 321 2HD PRO 69 HD3 PRO 69 1.031 -4.361 4.918 322 H LEU 70 HN LEU 70 -4.635 -5.220 4.715 323 HA LEU 70 HA LEU 70 -5.552 -2.943 3.402 324 1HB LEU 70 HB2 LEU 70 -6.879 -4.816 3.183 325 2HB LEU 70 HB3 LEU 70 -6.835 -5.174 4.886 326 HG LEU 70 HG LEU 70 -8.340 -3.215 5.273 327 1HD1 LEU 70 HD11 LEU 70 -7.888 -1.932 3.303 328 2HD1 LEU 70 HD12 LEU 70 -8.463 -3.242 2.269 329 3HD1 LEU 70 HD13 LEU 70 -9.592 -2.384 3.316 330 1HD2 LEU 70 HD21 LEU 70 -9.259 -5.414 5.266 331 2HD2 LEU 70 HD22 LEU 70 -10.353 -4.361 4.371 332 3HD2 LEU 70 HD23 LEU 70 -9.279 -5.457 3.502 333 H LYS 71 HN LYS 71 -5.276 -3.606 6.819 334 HA LYS 71 HA LYS 71 -6.993 -1.516 7.673 335 1HB LYS 71 HB2 LYS 71 -6.093 -1.943 9.888 336 2HB LYS 71 HB3 LYS 71 -6.422 -3.462 9.066 337 1HG LYS 71 HG2 LYS 71 -4.047 -3.699 8.551 338 2HG LYS 71 HG3 LYS 71 -3.719 -2.171 9.371 339 1HD LYS 71 HD2 LYS 71 -4.687 -3.162 11.446 340 2HD LYS 71 HD3 LYS 71 -4.786 -4.708 10.601 341 1HE LYS 71 HE2 LYS 71 -2.769 -4.723 11.877 342 2HE LYS 71 HE3 LYS 71 -2.324 -4.537 10.181 343 1HZ LYS 71 HZ1 LYS 71 -1.040 -3.029 11.509 344 2HZ LYS 71 HZ2 LYS 71 -2.431 -2.384 12.230 345 3HZ LYS 71 HZ3 LYS 71 -2.134 -2.118 10.581 346 H GLU 72 HN GLU 72 -3.980 -1.383 6.219 347 HA GLU 72 HA GLU 72 -3.233 1.137 7.545 348 1HB GLU 72 HB2 GLU 72 -1.603 -0.352 5.488 349 2HB GLU 72 HB3 GLU 72 -1.053 0.859 6.640 350 1HG GLU 72 HG2 GLU 72 -2.050 -1.875 7.398 351 2HG GLU 72 HG3 GLU 72 -0.354 -1.461 7.161 352 H ILE 73 HN ILE 73 -4.934 0.027 4.910 353 HA ILE 73 HA ILE 73 -3.819 1.396 2.736 354 HB ILE 73 HB ILE 73 -6.623 0.371 3.161 355 1HG1 ILE 73 HG12 ILE 73 -4.184 -0.703 1.741 356 2HG1 ILE 73 HG13 ILE 73 -5.021 -1.404 3.118 357 1HG2 ILE 73 HG21 ILE 73 -5.381 1.355 0.599 358 2HG2 ILE 73 HG22 ILE 73 -6.963 0.594 0.760 359 3HG2 ILE 73 HG23 ILE 73 -6.659 2.167 1.502 360 1HD1 ILE 73 HD11 ILE 73 -6.976 -1.800 1.673 361 2HD1 ILE 73 HD12 ILE 73 -6.054 -1.182 0.306 362 3HD1 ILE 73 HD13 ILE 73 -5.529 -2.649 1.133 363 H ALA 74 HN ALA 74 -3.993 3.362 1.940 364 HA ALA 74 HA ALA 74 -5.238 5.451 3.460 365 1HB ALA 74 HB1 ALA 74 -4.303 6.946 1.765 366 2HB ALA 74 HB2 ALA 74 -3.089 5.801 2.339 367 3HB ALA 74 HB3 ALA 74 -3.860 5.555 0.772 368 H ARG 75 HN ARG 75 -7.024 6.577 3.022 369 HA ARG 75 HA ARG 75 -9.109 5.542 1.518 370 1HB ARG 75 HB2 ARG 75 -9.383 7.094 3.408 371 2HB ARG 75 HB3 ARG 75 -8.733 8.399 2.428 372 1HG ARG 75 HG2 ARG 75 -10.626 8.543 1.122 373 2HG ARG 75 HG3 ARG 75 -11.129 6.890 1.479 374 1HD ARG 75 HD2 ARG 75 -12.549 8.587 2.576 375 2HD ARG 75 HD3 ARG 75 -11.753 7.512 3.719 376 HE ARG 75 HE ARG 75 -10.093 9.679 3.541 377 1HH1 ARG 75 HH1 ARG 75 -13.457 9.187 4.332 378 2HH1 ARG 75 HH1 ARG 75 -13.534 10.524 5.433 379 1HH2 ARG 75 HH2 ARG 75 -10.178 11.460 4.993 380 2HH2 ARG 75 HH2 ARG 75 -11.683 11.831 5.789 381 H GLU 76 HN GLU 76 -6.383 7.282 0.327 382 HA GLU 76 HA GLU 76 -7.459 8.678 -1.841 383 1HB GLU 76 HB2 GLU 76 -5.036 8.617 -1.088 384 2HB GLU 76 HB3 GLU 76 -4.892 7.092 -1.955 385 1HG GLU 76 HG2 GLU 76 -4.072 8.864 -3.350 386 2HG GLU 76 HG3 GLU 76 -5.582 8.251 -4.025 387 H TYR 77 HN TYR 77 -7.103 5.284 -1.343 388 HA TYR 77 HA TYR 77 -7.187 4.628 -4.165 389 1HB TYR 77 HB2 TYR 77 -7.185 2.745 -1.802 390 2HB TYR 77 HB3 TYR 77 -6.812 2.348 -3.479 391 HD1 TYR 77 HD1 TYR 77 -4.895 4.000 -4.483 392 HD2 TYR 77 HD2 TYR 77 -5.371 2.917 -0.403 393 HE1 TYR 77 HE1 TYR 77 -2.531 4.536 -4.070 394 HE2 TYR 77 HE2 TYR 77 -3.013 3.443 0.022 395 HH TYR 77 HH TYR 77 -0.911 3.619 -1.238 396 H PHE 78 HN PHE 78 -9.230 4.142 -1.303 397 HA PHE 78 HA PHE 78 -11.475 3.774 -3.143 398 1HB PHE 78 HB2 PHE 78 -12.802 3.044 -1.243 399 2HB PHE 78 HB3 PHE 78 -11.320 2.109 -1.306 400 HD1 PHE 78 HD1 PHE 78 -9.359 3.124 0.221 401 HD2 PHE 78 HD2 PHE 78 -13.522 3.801 0.770 402 HE1 PHE 78 HE1 PHE 78 -8.960 3.642 2.588 403 HE2 PHE 78 HE2 PHE 78 -13.128 4.329 3.135 404 HZ PHE 78 HZ PHE 78 -10.846 4.246 4.050 405 HA PRO 79 HA PRO 79 -11.062 8.099 -3.407 406 1HB PRO 79 HB2 PRO 79 -13.869 8.429 -3.889 407 2HB PRO 79 HB3 PRO 79 -12.547 8.433 -5.057 408 1HG PRO 79 HG2 PRO 79 -14.307 6.214 -4.194 409 2HG PRO 79 HG3 PRO 79 -13.552 6.490 -5.776 410 1HD PRO 79 HD2 PRO 79 -12.593 4.583 -4.202 411 2HD PRO 79 HD3 PRO 79 -11.456 5.693 -5.018 412 H ALA 80 HN ALA 80 -11.145 9.783 -2.170 413 HA ALA 80 HA ALA 80 -11.737 9.668 0.504 414 1HB ALA 80 HB1 ALA 80 -10.262 11.285 -0.603 415 2HB ALA 80 HB2 ALA 80 -11.682 12.148 -1.188 416 3HB ALA 80 HB3 ALA 80 -11.369 12.042 0.544 417 H ASN 81 HN ASN 81 -13.998 10.372 -2.056 418 HA ASN 81 HA ASN 81 -15.936 11.516 -0.188 419 1HB ASN 81 HB2 ASN 81 -15.522 12.407 -2.556 420 2HB ASN 81 HB3 ASN 81 -16.391 10.987 -3.121 421 1HD2 ASN 81 HD21 ASN 81 -17.991 12.321 -4.018 422 2HD2 ASN 81 HD22 ASN 81 -19.196 13.078 -3.031 423 H TYR 82 HN TYR 82 -14.951 8.543 -0.870 424 HA TYR 82 HA TYR 82 -17.518 7.205 -1.031 425 1HB TYR 82 HB2 TYR 82 -15.398 6.346 -2.100 426 2HB TYR 82 HB3 TYR 82 -14.769 6.046 -0.487 427 HD1 TYR 82 HD1 TYR 82 -17.466 5.077 -2.848 428 HD2 TYR 82 HD2 TYR 82 -15.279 4.062 0.653 429 HE1 TYR 82 HE1 TYR 82 -18.522 2.856 -2.844 430 HE2 TYR 82 HE2 TYR 82 -16.319 1.838 0.665 431 HH TYR 82 HH TYR 82 -18.394 0.773 -0.185 432 H SER 83 HN SER 83 -18.637 6.418 0.688 433 HA SER 83 HA SER 83 -18.106 7.531 3.219 434 1HB SER 83 HB2 SER 83 -20.006 5.773 3.820 435 2HB SER 83 HB3 SER 83 -20.358 7.236 2.901 436 HG SER 83 HG SER 83 -19.938 4.601 1.906 437 H ALA 84 HN ALA 84 -16.284 6.905 4.201 438 HA ALA 84 HA ALA 84 -15.634 4.082 4.468 439 1HB ALA 84 HB1 ALA 84 -13.580 4.878 5.536 440 2HB ALA 84 HB2 ALA 84 -13.834 5.655 3.973 441 3HB ALA 84 HB3 ALA 84 -14.183 6.534 5.461 442 H HIS 85 HN HIS 85 -17.888 4.182 5.653 443 HA HIS 85 HA HIS 85 -17.756 5.128 8.372 444 1HB HIS 85 HB2 HIS 85 -20.053 4.269 8.582 445 2HB HIS 85 HB3 HIS 85 -19.880 5.288 7.163 446 HD1 HIS 85 HD1 HIS 85 -21.209 2.121 8.226 447 HD2 HIS 85 HD2 HIS 85 -19.603 3.627 4.696 448 HE1 HIS 85 HE1 HIS 85 -21.983 0.563 6.405 449 HE2 HIS 85 HE2 HIS 85 -20.808 1.366 4.324 450 H GLY 86 HN GLY 86 -15.715 3.602 8.338 451 1HA GLY 86 HA1 GLY 86 -15.676 1.866 10.314 452 2HA GLY 86 HA2 GLY 86 -16.419 0.866 9.073 453 H ARG 87 HN ARG 87 -15.052 -0.412 8.097 454 HA ARG 87 HA ARG 87 -12.275 0.498 7.715 455 1HB ARG 87 HB2 ARG 87 -13.268 -2.330 8.132 456 2HB ARG 87 HB3 ARG 87 -11.596 -1.857 7.874 457 1HG ARG 87 HG2 ARG 87 -11.481 -0.778 9.980 458 2HG ARG 87 HG3 ARG 87 -13.228 -0.905 10.210 459 1HD ARG 87 HD2 ARG 87 -11.257 -3.187 10.102 460 2HD ARG 87 HD3 ARG 87 -12.091 -2.589 11.537 461 HE ARG 87 HE ARG 87 -13.996 -3.297 9.584 462 1HH1 ARG 87 HH1 ARG 87 -11.700 -4.807 11.773 463 2HH1 ARG 87 HH1 ARG 87 -12.618 -6.276 11.916 464 1HH2 ARG 87 HH2 ARG 87 -15.170 -5.237 9.746 465 2HH2 ARG 87 HH2 ARG 87 -14.579 -6.529 10.745 466 HA PRO 88 HA PRO 88 -13.178 -0.010 3.343 467 1HB PRO 88 HB2 PRO 88 -10.461 -0.302 2.687 468 2HB PRO 88 HB3 PRO 88 -11.382 1.201 2.660 469 1HG PRO 88 HG2 PRO 88 -9.477 0.179 4.679 470 2HG PRO 88 HG3 PRO 88 -9.879 1.854 4.253 471 1HD PRO 88 HD2 PRO 88 -10.742 0.650 6.529 472 2HD PRO 88 HD3 PRO 88 -11.655 1.923 5.690 473 H ASN 89 HN ASN 89 -13.412 -1.807 2.049 474 HA ASN 89 HA ASN 89 -12.198 -4.312 2.978 475 1HB ASN 89 HB2 ASN 89 -14.608 -4.412 2.603 476 2HB ASN 89 HB3 ASN 89 -14.399 -3.820 0.956 477 1HD2 ASN 89 HD21 ASN 89 -13.648 -5.192 -0.622 478 2HD2 ASN 89 HD22 ASN 89 -13.507 -6.903 -0.397 479 H ILE 90 HN ILE 90 -10.465 -5.129 1.938 480 HA ILE 90 HA ILE 90 -9.102 -3.335 0.318 481 HB ILE 90 HB ILE 90 -7.941 -4.888 1.774 482 1HG1 ILE 90 HG12 ILE 90 -6.994 -5.414 -1.019 483 2HG1 ILE 90 HG13 ILE 90 -6.984 -3.783 -0.355 484 1HG2 ILE 90 HG21 ILE 90 -8.687 -7.009 -0.236 485 2HG2 ILE 90 HG22 ILE 90 -7.514 -7.208 1.066 486 3HG2 ILE 90 HG23 ILE 90 -9.213 -6.918 1.445 487 1HD1 ILE 90 HD11 ILE 90 -5.521 -6.182 0.699 488 2HD1 ILE 90 HD12 ILE 90 -4.832 -4.753 -0.073 489 3HD1 ILE 90 HD13 ILE 90 -5.597 -4.616 1.510 490 H LYS 91 HN LYS 91 -10.577 -6.449 -0.737 491 HA LYS 91 HA LYS 91 -9.836 -6.067 -3.439 492 1HB LYS 91 HB2 LYS 91 -12.014 -7.724 -2.204 493 2HB LYS 91 HB3 LYS 91 -11.756 -7.670 -3.940 494 1HG LYS 91 HG2 LYS 91 -9.256 -8.199 -3.111 495 2HG LYS 91 HG3 LYS 91 -10.180 -8.980 -1.829 496 1HD LYS 91 HD2 LYS 91 -9.790 -10.609 -3.526 497 2HD LYS 91 HD3 LYS 91 -11.492 -10.154 -3.614 498 1HE LYS 91 HE2 LYS 91 -11.034 -8.694 -5.496 499 2HE LYS 91 HE3 LYS 91 -9.309 -9.041 -5.372 500 1HZ LYS 91 HZ1 LYS 91 -10.379 -10.343 -7.117 501 2HZ LYS 91 HZ2 LYS 91 -11.422 -11.042 -5.978 502 3HZ LYS 91 HZ3 LYS 91 -9.755 -11.343 -5.900 503 H ASP 92 HN ASP 92 -12.029 -4.246 -1.687 504 HA ASP 92 HA ASP 92 -13.419 -3.422 -4.158 505 1HB ASP 92 HB2 ASP 92 -14.284 -3.330 -1.276 506 2HB ASP 92 HB3 ASP 92 -15.015 -2.270 -2.475 507 H VAL 93 HN VAL 93 -10.844 -2.689 -2.459 508 HA VAL 93 HA VAL 93 -11.169 0.241 -2.733 509 HB VAL 93 HB VAL 93 -9.408 -1.325 -0.832 510 1HG1 VAL 93 HG11 VAL 93 -8.669 0.838 0.026 511 2HG1 VAL 93 HG12 VAL 93 -8.224 0.631 -1.668 512 3HG1 VAL 93 HG13 VAL 93 -9.594 1.652 -1.236 513 1HG2 VAL 93 HG21 VAL 93 -10.721 -0.171 0.907 514 2HG2 VAL 93 HG22 VAL 93 -11.742 0.522 -0.350 515 3HG2 VAL 93 HG23 VAL 93 -11.710 -1.223 -0.103 516 H LEU 94 HN LEU 94 -8.780 -2.377 -2.774 517 HA LEU 94 HA LEU 94 -7.220 -0.879 -4.755 518 1HB LEU 94 HB2 LEU 94 -6.477 -3.378 -3.225 519 2HB LEU 94 HB3 LEU 94 -5.427 -2.472 -4.290 520 HG LEU 94 HG LEU 94 -6.511 -1.509 -1.645 521 1HD1 LEU 94 HD11 LEU 94 -3.757 -2.367 -2.518 522 2HD1 LEU 94 HD12 LEU 94 -4.159 -1.659 -0.952 523 3HD1 LEU 94 HD13 LEU 94 -4.820 -3.229 -1.408 524 1HD2 LEU 94 HD21 LEU 94 -4.646 -0.207 -3.622 525 2HD2 LEU 94 HD22 LEU 94 -6.263 0.344 -3.176 526 3HD2 LEU 94 HD23 LEU 94 -4.959 0.378 -1.988 527 H ARG 95 HN ARG 95 -6.573 -1.936 -6.676 528 HA ARG 95 HA ARG 95 -7.598 -4.601 -7.178 529 1HB ARG 95 HB2 ARG 95 -8.482 -3.961 -9.416 530 2HB ARG 95 HB3 ARG 95 -9.406 -3.296 -8.079 531 1HG ARG 95 HG2 ARG 95 -7.270 -1.615 -9.261 532 2HG ARG 95 HG3 ARG 95 -8.744 -1.863 -10.195 533 1HD ARG 95 HD2 ARG 95 -8.638 -0.834 -7.356 534 2HD ARG 95 HD3 ARG 95 -8.828 0.170 -8.793 535 HE ARG 95 HE ARG 95 -10.852 -1.681 -8.931 536 1HH1 ARG 95 HH1 ARG 95 -9.811 0.795 -6.698 537 2HH1 ARG 95 HH1 ARG 95 -11.401 1.087 -6.073 538 1HH2 ARG 95 HH2 ARG 95 -12.962 -1.299 -8.135 539 2HH2 ARG 95 HH2 ARG 95 -13.208 -0.111 -6.890 540 H GLU 96 HN GLU 96 -6.477 -5.704 -8.789 541 HA GLU 96 HA GLU 96 -3.760 -5.163 -9.028 542 1HB GLU 96 HB2 GLU 96 -5.503 -6.846 -10.844 543 2HB GLU 96 HB3 GLU 96 -3.745 -6.906 -10.769 544 1HG GLU 96 HG2 GLU 96 -3.790 -7.762 -8.547 545 2HG GLU 96 HG3 GLU 96 -5.527 -7.492 -8.420 546 H GLY 97 HN GLY 97 -2.842 -3.514 -10.018 547 1HA GLY 97 HA1 GLY 97 -2.346 -2.396 -12.126 548 2HA GLY 97 HA2 GLY 97 -4.055 -2.516 -12.516 549 H GLN 98 HN GLN 98 -4.057 -1.800 -9.340 550 HA GLN 98 HA GLN 98 -4.263 1.077 -9.833 551 1HB GLN 98 HB2 GLN 98 -6.045 -0.234 -8.565 552 2HB GLN 98 HB3 GLN 98 -4.877 -0.376 -7.262 553 1HG GLN 98 HG2 GLN 98 -4.803 1.988 -6.961 554 2HG GLN 98 HG3 GLN 98 -5.791 2.253 -8.397 555 1HE2 GLN 98 HE21 GLN 98 -5.776 1.138 -5.105 556 2HE2 GLN 98 HE22 GLN 98 -7.487 1.223 -4.856 557 H GLU 99 HN GLU 99 -2.899 2.544 -8.964 558 HA GLU 99 HA GLU 99 -0.365 1.548 -8.016 559 1HB GLU 99 HB2 GLU 99 0.366 3.880 -8.144 560 2HB GLU 99 HB3 GLU 99 -0.390 3.351 -9.645 561 1HG GLU 99 HG2 GLU 99 -2.389 4.540 -9.154 562 2HG GLU 99 HG3 GLU 99 -1.853 4.897 -7.502 563 H VAL 100 HN VAL 100 0.694 2.261 -6.154 564 HA VAL 100 HA VAL 100 -0.853 3.749 -4.164 565 HB VAL 100 HB VAL 100 -0.078 2.311 -2.349 566 1HG1 VAL 100 HG11 VAL 100 -1.564 0.792 -4.484 567 2HG1 VAL 100 HG12 VAL 100 -1.469 0.325 -2.786 568 3HG1 VAL 100 HG13 VAL 100 -2.262 1.835 -3.244 569 1HG2 VAL 100 HG21 VAL 100 1.031 0.206 -2.741 570 2HG2 VAL 100 HG22 VAL 100 0.983 0.470 -4.485 571 3HG2 VAL 100 HG23 VAL 100 1.972 1.515 -3.463 572 H ILE 101 HN ILE 101 0.439 5.008 -2.782 573 HA ILE 101 HA ILE 101 3.314 5.068 -3.384 574 HB ILE 101 HB ILE 101 1.704 6.997 -1.708 575 1HG1 ILE 101 HG12 ILE 101 0.928 6.907 -4.071 576 2HG1 ILE 101 HG13 ILE 101 1.619 8.457 -3.625 577 1HG2 ILE 101 HG21 ILE 101 4.438 7.235 -2.944 578 2HG2 ILE 101 HG22 ILE 101 3.608 8.488 -2.018 579 3HG2 ILE 101 HG23 ILE 101 4.090 6.982 -1.235 580 1HD1 ILE 101 HD11 ILE 101 2.979 6.287 -5.193 581 2HD1 ILE 101 HD12 ILE 101 2.353 7.808 -5.829 582 3HD1 ILE 101 HD13 ILE 101 3.720 7.815 -4.714 583 H VAL 102 HN VAL 102 4.481 3.799 -2.096 584 HA VAL 102 HA VAL 102 3.663 3.431 0.705 585 HB VAL 102 HB VAL 102 4.216 0.943 0.339 586 1HG1 VAL 102 HG11 VAL 102 2.009 1.732 0.914 587 2HG1 VAL 102 HG12 VAL 102 1.693 2.164 -0.769 588 3HG1 VAL 102 HG13 VAL 102 1.886 0.471 -0.316 589 1HG2 VAL 102 HG21 VAL 102 3.752 0.086 -1.902 590 2HG2 VAL 102 HG22 VAL 102 3.542 1.733 -2.501 591 3HG2 VAL 102 HG23 VAL 102 5.122 1.194 -1.929 592 H GLN 103 HN GLN 103 5.305 3.540 2.033 593 HA GLN 103 HA GLN 103 7.989 2.906 1.037 594 1HB GLN 103 HB2 GLN 103 8.828 4.021 3.071 595 2HB GLN 103 HB3 GLN 103 7.822 5.103 2.112 596 1HG GLN 103 HG2 GLN 103 6.055 4.993 3.625 597 2HG GLN 103 HG3 GLN 103 6.683 3.537 4.397 598 1HE2 GLN 103 HE21 GLN 103 8.296 3.706 5.916 599 2HE2 GLN 103 HE22 GLN 103 8.743 5.211 6.636 600 H ILE 104 HN ILE 104 9.320 1.569 2.424 601 HA ILE 104 HA ILE 104 7.791 -0.651 3.426 602 HB ILE 104 HB ILE 104 10.744 -0.213 3.042 603 1HG1 ILE 104 HG12 ILE 104 9.544 -0.550 0.991 604 2HG1 ILE 104 HG13 ILE 104 10.371 -2.059 1.371 605 1HG2 ILE 104 HG21 ILE 104 11.103 -2.529 3.643 606 2HG2 ILE 104 HG22 ILE 104 10.398 -1.652 5.002 607 3HG2 ILE 104 HG23 ILE 104 9.391 -2.721 4.021 608 1HD1 ILE 104 HD11 ILE 104 7.458 -1.470 1.864 609 2HD1 ILE 104 HD12 ILE 104 8.115 -2.472 0.572 610 3HD1 ILE 104 HD13 ILE 104 8.284 -2.977 2.253 611 H ASP 105 HN ASP 105 6.874 -0.385 5.247 612 HA ASP 105 HA ASP 105 7.889 1.154 7.420 613 1HB ASP 105 HB2 ASP 105 5.530 1.016 7.245 614 2HB ASP 105 HB3 ASP 105 5.562 -0.736 7.085 615 H LYS 106 HN LYS 106 7.623 -2.308 6.739 616 HA LYS 106 HA LYS 106 9.619 -2.747 8.836 617 1HB LYS 106 HB2 LYS 106 7.259 -4.498 8.193 618 2HB LYS 106 HB3 LYS 106 8.645 -5.017 9.169 619 1HG LYS 106 HG2 LYS 106 8.181 -3.214 10.758 620 2HG LYS 106 HG3 LYS 106 6.794 -2.710 9.792 621 1HD LYS 106 HD2 LYS 106 5.800 -4.956 10.159 622 2HD LYS 106 HD3 LYS 106 7.149 -5.334 11.233 623 1HE LYS 106 HE2 LYS 106 5.254 -4.626 12.547 624 2HE LYS 106 HE3 LYS 106 6.524 -3.405 12.642 625 1HZ LYS 106 HZ1 LYS 106 5.327 -2.133 10.923 626 2HZ LYS 106 HZ2 LYS 106 4.405 -2.353 12.329 627 3HZ LYS 106 HZ3 LYS 106 4.080 -3.285 10.958 628 H GLU 107 HN GLU 107 10.803 -4.799 8.558 629 HA GLU 107 HA GLU 107 11.923 -4.399 5.908 630 1HB GLU 107 HB2 GLU 107 13.031 -5.398 8.521 631 2HB GLU 107 HB3 GLU 107 13.934 -5.434 7.024 632 1HG GLU 107 HG2 GLU 107 13.701 -3.004 6.825 633 2HG GLU 107 HG3 GLU 107 12.818 -2.982 8.348 634 H GLU 108 HN GLU 108 12.928 -6.163 4.805 635 HA GLU 108 HA GLU 108 10.987 -8.194 4.415 636 1HB GLU 108 HB2 GLU 108 13.756 -7.968 3.229 637 2HB GLU 108 HB3 GLU 108 12.416 -8.917 2.595 638 1HG GLU 108 HG2 GLU 108 11.236 -7.047 1.918 639 2HG GLU 108 HG3 GLU 108 12.169 -5.967 2.953 640 H ARG 109 HN ARG 109 10.856 -9.347 6.257 641 HA ARG 109 HA ARG 109 13.169 -10.779 7.290 642 1HB ARG 109 HB2 ARG 109 10.298 -10.609 8.236 643 2HB ARG 109 HB3 ARG 109 11.580 -11.466 9.073 644 1HG ARG 109 HG2 ARG 109 12.673 -9.516 9.684 645 2HG ARG 109 HG3 ARG 109 11.849 -8.565 8.448 646 1HD ARG 109 HD2 ARG 109 11.010 -8.059 10.695 647 2HD ARG 109 HD3 ARG 109 9.755 -8.747 9.668 648 HE ARG 109 HE ARG 109 10.875 -10.866 11.063 649 1HH1 ARG 109 HH1 ARG 109 9.263 -7.872 11.882 650 2HH1 ARG 109 HH1 ARG 109 8.485 -8.513 13.297 651 1HH2 ARG 109 HH2 ARG 109 9.856 -11.731 12.926 652 2HH2 ARG 109 HH2 ARG 109 8.833 -10.711 13.904 653 H GLY 110 HN GLY 110 11.412 -11.285 4.729 654 1HA GLY 110 HA1 GLY 110 11.022 -13.193 3.480 655 2HA GLY 110 HA2 GLY 110 11.583 -14.154 4.840 656 H ASN 111 HN ASN 111 10.010 -13.984 6.798 657 HA ASN 111 HA ASN 111 7.601 -15.209 6.010 658 1HB ASN 111 HB2 ASN 111 8.669 -15.700 8.149 659 2HB ASN 111 HB3 ASN 111 8.377 -14.052 8.694 660 1HD2 ASN 111 HD21 ASN 111 6.882 -17.099 7.856 661 2HD2 ASN 111 HD22 ASN 111 5.399 -16.820 8.711 662 H LYS 112 HN LYS 112 8.357 -11.864 6.790 663 HA LYS 112 HA LYS 112 5.548 -11.219 6.214 664 1HB LYS 112 HB2 LYS 112 7.417 -9.536 7.884 665 2HB LYS 112 HB3 LYS 112 5.703 -9.255 7.610 666 1HG LYS 112 HG2 LYS 112 5.292 -11.479 8.749 667 2HG LYS 112 HG3 LYS 112 6.984 -11.422 9.244 668 1HD LYS 112 HD2 LYS 112 5.635 -10.553 11.031 669 2HD LYS 112 HD3 LYS 112 6.533 -9.217 10.306 670 1HE LYS 112 HE2 LYS 112 4.606 -8.464 9.123 671 2HE LYS 112 HE3 LYS 112 3.702 -9.916 9.550 672 1HZ LYS 112 HZ1 LYS 112 4.603 -7.792 11.423 673 2HZ LYS 112 HZ2 LYS 112 3.829 -9.227 11.884 674 3HZ LYS 112 HZ3 LYS 112 3.007 -8.094 10.928 675 H GLY 113 HN GLY 113 8.876 -10.105 6.004 676 1HA GLY 113 HA1 GLY 113 10.013 -9.585 4.073 677 2HA GLY 113 HA2 GLY 113 8.515 -9.784 3.177 678 H ALA 114 HN ALA 114 8.419 -8.008 2.028 679 HA ALA 114 HA ALA 114 9.311 -5.485 3.085 680 1HB ALA 114 HB1 ALA 114 8.951 -4.642 0.857 681 2HB ALA 114 HB2 ALA 114 9.843 -6.164 0.808 682 3HB ALA 114 HB3 ALA 114 8.124 -6.135 0.402 683 H ALA 115 HN ALA 115 7.865 -4.899 4.682 684 HA ALA 115 HA ALA 115 5.023 -5.021 4.242 685 1HB ALA 115 HB1 ALA 115 6.574 -3.732 6.481 686 2HB ALA 115 HB2 ALA 115 4.833 -4.013 6.449 687 3HB ALA 115 HB3 ALA 115 5.947 -5.382 6.472 688 H LEU 116 HN LEU 116 3.832 -3.530 3.297 689 HA LEU 116 HA LEU 116 4.980 -0.898 2.768 690 1HB LEU 116 HB2 LEU 116 2.317 -1.998 1.874 691 2HB LEU 116 HB3 LEU 116 3.095 -0.534 1.303 692 HG LEU 116 HG LEU 116 4.116 -3.336 0.839 693 1HD1 LEU 116 HD11 LEU 116 3.430 -2.920 -1.487 694 2HD1 LEU 116 HD12 LEU 116 2.062 -2.947 -0.373 695 3HD1 LEU 116 HD13 LEU 116 2.680 -1.409 -0.975 696 1HD2 LEU 116 HD21 LEU 116 5.022 -0.684 -0.261 697 2HD2 LEU 116 HD22 LEU 116 5.888 -1.663 0.918 698 3HD2 LEU 116 HD23 LEU 116 5.650 -2.266 -0.721 699 H THR 117 HN THR 117 3.740 1.023 3.196 700 HA THR 117 HA THR 117 1.463 0.740 5.018 701 HB THR 117 HB THR 117 3.500 1.199 6.388 702 HG1 THR 117 HG1 THR 117 2.049 2.155 7.584 703 1HG2 THR 117 HG21 THR 117 4.634 2.578 4.621 704 2HG2 THR 117 HG22 THR 117 4.659 3.271 6.244 705 3HG2 THR 117 HG23 THR 117 3.527 3.887 5.041 706 H THR 118 HN THR 118 0.051 2.660 4.959 707 HA THR 118 HA THR 118 0.692 4.515 2.797 708 HB THR 118 HB THR 118 -1.920 4.324 2.293 709 HG1 THR 118 HG1 THR 118 -2.139 2.541 3.800 710 1HG2 THR 118 HG21 THR 118 -1.273 2.818 0.416 711 2HG2 THR 118 HG22 THR 118 0.305 2.630 1.184 712 3HG2 THR 118 HG23 THR 118 -0.219 4.216 0.619 713 H PHE 119 HN PHE 119 0.833 4.949 5.549 714 HA PHE 119 HA PHE 119 -1.250 6.976 5.929 715 1HB PHE 119 HB2 PHE 119 1.066 6.173 7.713 716 2HB PHE 119 HB3 PHE 119 -0.144 7.387 8.113 717 HD1 PHE 119 HD1 PHE 119 -2.574 6.634 8.263 718 HD2 PHE 119 HD2 PHE 119 0.710 3.925 8.212 719 HE1 PHE 119 HE1 PHE 119 -4.003 4.887 9.241 720 HE2 PHE 119 HE2 PHE 119 -0.717 2.173 9.189 721 HZ PHE 119 HZ PHE 119 -3.075 2.655 9.709 722 H ILE 120 HN ILE 120 0.441 7.140 3.712 723 HA ILE 120 HA ILE 120 2.367 9.276 4.375 724 HB ILE 120 HB ILE 120 2.683 7.632 1.907 725 1HG1 ILE 120 HG12 ILE 120 3.893 6.627 4.466 726 2HG1 ILE 120 HG13 ILE 120 2.270 6.120 4.004 727 1HG2 ILE 120 HG21 ILE 120 4.139 9.539 2.354 728 2HG2 ILE 120 HG22 ILE 120 4.650 8.801 3.872 729 3HG2 ILE 120 HG23 ILE 120 5.050 8.029 2.338 730 1HD1 ILE 120 HD11 ILE 120 4.757 5.749 2.347 731 2HD1 ILE 120 HD12 ILE 120 3.958 4.502 3.303 732 3HD1 ILE 120 HD13 ILE 120 3.131 5.214 1.919 733 H SER 121 HN SER 121 0.867 10.960 3.879 734 HA SER 121 HA SER 121 0.290 12.671 2.513 735 1HB SER 121 HB2 SER 121 1.595 11.057 0.319 736 2HB SER 121 HB3 SER 121 1.177 12.768 0.239 737 HG SER 121 HG SER 121 3.213 12.883 0.880 738 H LEU 122 HN LEU 122 -0.712 9.460 1.439 739 HA LEU 122 HA LEU 122 -2.692 10.538 -0.359 740 1HB LEU 122 HB2 LEU 122 -2.068 7.725 0.504 741 2HB LEU 122 HB3 LEU 122 -3.419 8.117 -0.540 742 HG LEU 122 HG LEU 122 -1.522 9.281 -1.981 743 1HD1 LEU 122 HD11 LEU 122 0.257 8.854 -0.390 744 2HD1 LEU 122 HD12 LEU 122 -0.049 7.119 -0.496 745 3HD1 LEU 122 HD13 LEU 122 0.546 7.999 -1.905 746 1HD2 LEU 122 HD21 LEU 122 -1.902 6.287 -1.955 747 2HD2 LEU 122 HD22 LEU 122 -3.018 7.442 -2.684 748 3HD2 LEU 122 HD23 LEU 122 -1.380 7.280 -3.315 749 H ALA 123 HN ALA 123 -4.907 9.512 -0.208 750 HA ALA 123 HA ALA 123 -6.867 9.053 0.866 751 1HB ALA 123 HB1 ALA 123 -5.564 9.684 3.509 752 2HB ALA 123 HB2 ALA 123 -7.125 8.907 3.239 753 3HB ALA 123 HB3 ALA 123 -5.633 8.072 2.797 754 H GLY 124 HN GLY 124 -6.338 11.260 -0.451 755 1HA GLY 124 HA1 GLY 124 -7.295 13.324 -0.797 756 2HA GLY 124 HA2 GLY 124 -8.134 13.150 0.738 757 H SER 125 HN SER 125 -7.660 14.717 2.095 758 HA SER 125 HA SER 125 -4.897 15.404 2.599 759 1HB SER 125 HB2 SER 125 -5.540 17.905 2.448 760 2HB SER 125 HB3 SER 125 -5.208 17.042 0.950 761 HG SER 125 HG SER 125 -7.583 16.691 0.892 Start of MODEL 8 1 1H GLY 30 H1 GLY 30 17.606 17.227 -7.150 2 2H GLY 30 H2 GLY 30 18.017 17.198 -5.503 3 3H GLY 30 H3 GLY 30 16.593 17.966 -6.008 4 1HA GLY 30 HA2 GLY 30 17.173 15.061 -6.107 5 2HA GLY 30 HA1 GLY 30 16.037 15.867 -5.032 6 H SER 31 HN SER 31 15.387 13.749 -6.804 7 HA SER 31 HA SER 31 13.600 15.164 -8.673 8 1HB SER 31 HB2 SER 31 14.946 12.513 -9.231 9 2HB SER 31 HB3 SER 31 13.971 13.469 -10.349 10 HG SER 31 HG SER 31 16.593 13.606 -9.891 11 H HIS 32 HN HIS 32 13.278 13.987 -5.917 12 HA HIS 32 HA HIS 32 11.835 12.689 -4.709 13 1HB HIS 32 HB2 HIS 32 10.231 12.584 -7.293 14 2HB HIS 32 HB3 HIS 32 9.628 12.228 -5.677 15 HD1 HIS 32 HD1 HIS 32 9.806 14.884 -8.096 16 HD2 HIS 32 HD2 HIS 32 9.802 14.649 -3.942 17 HE1 HIS 32 HE1 HIS 32 9.158 17.179 -7.285 18 HE2 HIS 32 HE2 HIS 32 8.973 16.955 -4.777 19 H MET 33 HN MET 33 10.191 10.524 -5.872 20 HA MET 33 HA MET 33 10.311 8.286 -5.835 21 1HB MET 33 HB2 MET 33 11.552 7.192 -7.636 22 2HB MET 33 HB3 MET 33 10.655 8.585 -8.201 23 1HG MET 33 HG2 MET 33 12.646 8.705 -9.355 24 2HG MET 33 HG3 MET 33 12.875 9.845 -8.035 25 1HE MET 33 HE1 MET 33 13.712 6.258 -9.400 26 2HE MET 33 HE2 MET 33 14.725 5.615 -8.107 27 3HE MET 33 HE3 MET 33 13.010 5.910 -7.819 28 H LEU 34 HN LEU 34 12.480 9.922 -4.319 29 HA LEU 34 HA LEU 34 13.697 7.544 -3.142 30 1HB LEU 34 HB2 LEU 34 15.101 10.106 -3.901 31 2HB LEU 34 HB3 LEU 34 15.763 8.978 -2.739 32 HG LEU 34 HG LEU 34 15.186 8.348 -5.634 33 1HD1 LEU 34 HD11 LEU 34 17.800 8.815 -4.203 34 2HD1 LEU 34 HD12 LEU 34 17.616 8.303 -5.881 35 3HD1 LEU 34 HD13 LEU 34 17.052 9.897 -5.379 36 1HD2 LEU 34 HD21 LEU 34 16.418 6.279 -5.180 37 2HD2 LEU 34 HD22 LEU 34 16.534 6.722 -3.478 38 3HD2 LEU 34 HD23 LEU 34 14.959 6.394 -4.198 39 H GLU 35 HN GLU 35 14.995 8.773 -1.046 40 HA GLU 35 HA GLU 35 12.617 9.335 0.481 41 1HB GLU 35 HB2 GLU 35 15.469 8.833 1.354 42 2HB GLU 35 HB3 GLU 35 14.097 8.999 2.442 43 1HG GLU 35 HG2 GLU 35 13.128 6.998 1.712 44 2HG GLU 35 HG3 GLU 35 14.179 6.913 0.291 45 H GLN 36 HN GLN 36 11.983 11.408 0.338 46 HA GLN 36 HA GLN 36 13.800 13.576 0.936 47 1HB GLN 36 HB2 GLN 36 10.783 13.448 0.751 48 2HB GLN 36 HB3 GLN 36 11.670 14.919 1.114 49 1HG GLN 36 HG2 GLN 36 12.777 14.798 -1.051 50 2HG GLN 36 HG3 GLN 36 11.910 13.305 -1.417 51 1HE2 GLN 36 HE21 GLN 36 11.646 16.758 -1.012 52 2HE2 GLN 36 HE22 GLN 36 10.086 16.920 -1.744 53 H LYS 37 HN LYS 37 14.534 12.292 2.875 54 HA LYS 37 HA LYS 37 14.749 12.069 5.124 55 1HB LYS 37 HB2 LYS 37 12.472 14.042 5.374 56 2HB LYS 37 HB3 LYS 37 13.611 13.592 6.632 57 1HG LYS 37 HG2 LYS 37 15.420 14.643 5.424 58 2HG LYS 37 HG3 LYS 37 14.336 15.017 4.080 59 1HD LYS 37 HD2 LYS 37 12.940 16.324 5.710 60 2HD LYS 37 HD3 LYS 37 14.235 16.104 6.886 61 1HE LYS 37 HE2 LYS 37 15.790 17.260 5.426 62 2HE LYS 37 HE3 LYS 37 14.541 17.419 4.190 63 1HZ LYS 37 HZ1 LYS 37 14.648 18.729 6.848 64 2HZ LYS 37 HZ2 LYS 37 13.234 18.672 5.915 65 3HZ LYS 37 HZ3 LYS 37 14.605 19.466 5.318 66 H LYS 38 HN LYS 38 12.734 10.568 3.468 67 HA LYS 38 HA LYS 38 10.982 9.633 5.639 68 1HB LYS 38 HB2 LYS 38 9.436 8.868 3.896 69 2HB LYS 38 HB3 LYS 38 9.695 10.605 3.817 70 1HG LYS 38 HG2 LYS 38 11.535 9.842 2.059 71 2HG LYS 38 HG3 LYS 38 10.446 8.458 1.914 72 1HD LYS 38 HD2 LYS 38 9.695 11.366 1.577 73 2HD LYS 38 HD3 LYS 38 9.902 10.195 0.280 74 1HE LYS 38 HE2 LYS 38 7.612 10.206 0.521 75 2HE LYS 38 HE3 LYS 38 8.061 8.866 1.570 76 1HZ LYS 38 HZ1 LYS 38 7.742 10.179 3.486 77 2HZ LYS 38 HZ2 LYS 38 6.411 10.528 2.492 78 3HZ LYS 38 HZ3 LYS 38 7.695 11.625 2.601 79 H ALA 39 HN ALA 39 10.174 7.238 4.851 80 HA ALA 39 HA ALA 39 12.545 5.610 4.582 81 1HB ALA 39 HB1 ALA 39 9.626 4.823 4.554 82 2HB ALA 39 HB2 ALA 39 10.995 3.714 4.654 83 3HB ALA 39 HB3 ALA 39 10.674 4.842 5.973 84 H ASN 40 HN ASN 40 12.348 3.784 2.820 85 HA ASN 40 HA ASN 40 12.622 5.105 0.349 86 1HB ASN 40 HB2 ASN 40 12.390 2.174 1.009 87 2HB ASN 40 HB3 ASN 40 12.660 2.787 -0.619 88 1HD2 ASN 40 HD21 ASN 40 14.014 2.414 2.563 89 2HD2 ASN 40 HD22 ASN 40 15.653 2.744 2.110 90 H ILE 41 HN ILE 41 10.934 6.100 -0.530 91 HA ILE 41 HA ILE 41 8.287 4.956 -0.469 92 HB ILE 41 HB ILE 41 8.692 7.398 -0.192 93 1HG1 ILE 41 HG12 ILE 41 6.902 8.135 -1.824 94 2HG1 ILE 41 HG13 ILE 41 6.944 6.501 -2.482 95 1HG2 ILE 41 HG21 ILE 41 9.396 7.327 -3.117 96 2HG2 ILE 41 HG22 ILE 41 9.177 8.781 -2.142 97 3HG2 ILE 41 HG23 ILE 41 10.502 7.672 -1.789 98 1HD1 ILE 41 HD11 ILE 41 6.305 5.600 -0.314 99 2HD1 ILE 41 HD12 ILE 41 6.292 7.231 0.363 100 3HD1 ILE 41 HD13 ILE 41 5.130 6.785 -0.886 101 H TYR 42 HN TYR 42 7.257 3.915 -2.124 102 HA TYR 42 HA TYR 42 8.608 3.872 -4.727 103 1HB TYR 42 HB2 TYR 42 7.661 1.508 -3.116 104 2HB TYR 42 HB3 TYR 42 7.888 1.419 -4.859 105 HD1 TYR 42 HD1 TYR 42 9.517 1.424 -1.626 106 HD2 TYR 42 HD2 TYR 42 10.159 1.784 -5.818 107 HE1 TYR 42 HE1 TYR 42 11.912 0.971 -1.296 108 HE2 TYR 42 HE2 TYR 42 12.553 1.332 -5.497 109 HH TYR 42 HH TYR 42 14.231 1.392 -3.822 110 H LYS 43 HN LYS 43 7.321 3.720 -6.474 111 HA LYS 43 HA LYS 43 4.426 4.000 -6.022 112 1HB LYS 43 HB2 LYS 43 5.638 5.915 -7.116 113 2HB LYS 43 HB3 LYS 43 6.083 4.831 -8.423 114 1HG LYS 43 HG2 LYS 43 4.262 5.916 -9.299 115 2HG LYS 43 HG3 LYS 43 3.526 4.461 -8.626 116 1HD LYS 43 HD2 LYS 43 2.775 5.621 -6.703 117 2HD LYS 43 HD3 LYS 43 3.688 7.066 -7.149 118 1HE LYS 43 HE2 LYS 43 1.417 5.875 -8.727 119 2HE LYS 43 HE3 LYS 43 1.287 7.268 -7.655 120 1HZ LYS 43 HZ1 LYS 43 2.634 8.554 -9.071 121 2HZ LYS 43 HZ2 LYS 43 1.547 7.753 -10.095 122 3HZ LYS 43 HZ3 LYS 43 3.148 7.208 -9.963 123 H GLY 44 HN GLY 44 3.463 2.091 -6.322 124 1HA GLY 44 HA1 GLY 44 4.186 0.528 -8.693 125 2HA GLY 44 HA2 GLY 44 4.365 -0.252 -7.126 126 H LYS 45 HN LYS 45 2.708 -1.335 -8.997 127 HA LYS 45 HA LYS 45 0.018 -0.558 -8.121 128 1HB LYS 45 HB2 LYS 45 1.020 -2.037 -10.541 129 2HB LYS 45 HB3 LYS 45 -0.684 -2.045 -10.066 130 1HG LYS 45 HG2 LYS 45 -0.967 0.197 -10.525 131 2HG LYS 45 HG3 LYS 45 0.747 0.561 -10.351 132 1HD LYS 45 HD2 LYS 45 -0.210 -1.197 -12.573 133 2HD LYS 45 HD3 LYS 45 -0.319 0.560 -12.710 134 1HE LYS 45 HE2 LYS 45 2.103 0.687 -12.184 135 2HE LYS 45 HE3 LYS 45 2.167 -1.075 -12.236 136 1HZ LYS 45 HZ1 LYS 45 2.867 -0.121 -14.333 137 2HZ LYS 45 HZ2 LYS 45 1.396 0.708 -14.484 138 3HZ LYS 45 HZ3 LYS 45 1.422 -0.989 -14.543 139 H ILE 46 HN ILE 46 -1.512 -2.208 -7.711 140 HA ILE 46 HA ILE 46 -0.544 -4.277 -6.029 141 HB ILE 46 HB ILE 46 -3.220 -3.387 -7.002 142 1HG1 ILE 46 HG12 ILE 46 -3.722 -3.376 -4.591 143 2HG1 ILE 46 HG13 ILE 46 -2.139 -4.064 -4.257 144 1HG2 ILE 46 HG21 ILE 46 -4.302 -5.325 -5.983 145 2HG2 ILE 46 HG22 ILE 46 -3.287 -5.785 -7.349 146 3HG2 ILE 46 HG23 ILE 46 -2.722 -6.057 -5.701 147 1HD1 ILE 46 HD11 ILE 46 -1.088 -2.029 -5.137 148 2HD1 ILE 46 HD12 ILE 46 -2.685 -1.348 -5.445 149 3HD1 ILE 46 HD13 ILE 46 -2.174 -1.683 -3.791 150 H THR 47 HN THR 47 -0.397 -6.445 -6.381 151 HA THR 47 HA THR 47 -1.017 -7.412 -9.091 152 HB THR 47 HB THR 47 1.047 -8.775 -9.005 153 HG1 THR 47 HG1 THR 47 1.551 -7.195 -6.670 154 1HG2 THR 47 HG21 THR 47 2.577 -6.841 -9.326 155 2HG2 THR 47 HG22 THR 47 1.309 -5.800 -8.665 156 3HG2 THR 47 HG23 THR 47 1.039 -6.671 -10.176 157 H ARG 48 HN ARG 48 -1.681 -7.707 -5.902 158 HA ARG 48 HA ARG 48 -2.997 -10.208 -6.294 159 1HB ARG 48 HB2 ARG 48 -0.545 -10.746 -5.691 160 2HB ARG 48 HB3 ARG 48 -0.983 -10.211 -4.074 161 1HG ARG 48 HG2 ARG 48 -2.913 -11.836 -4.194 162 2HG ARG 48 HG3 ARG 48 -2.134 -12.512 -5.619 163 1HD ARG 48 HD2 ARG 48 -0.050 -12.726 -4.102 164 2HD ARG 48 HD3 ARG 48 -1.199 -12.495 -2.772 165 HE ARG 48 HE ARG 48 -1.208 -14.740 -4.683 166 1HH1 ARG 48 HH1 ARG 48 -2.207 -13.323 -1.631 167 2HH1 ARG 48 HH1 ARG 48 -3.099 -14.725 -1.126 168 1HH2 ARG 48 HH2 ARG 48 -2.406 -16.581 -4.014 169 2HH2 ARG 48 HH2 ARG 48 -3.202 -16.567 -2.465 170 H ILE 49 HN ILE 49 -4.834 -10.030 -5.231 171 HA ILE 49 HA ILE 49 -4.828 -8.829 -2.568 172 HB ILE 49 HB ILE 49 -6.745 -8.042 -4.769 173 1HG1 ILE 49 HG12 ILE 49 -4.912 -6.289 -3.155 174 2HG1 ILE 49 HG13 ILE 49 -4.447 -6.967 -4.720 175 1HG2 ILE 49 HG21 ILE 49 -7.801 -6.592 -3.102 176 2HG2 ILE 49 HG22 ILE 49 -7.923 -8.291 -2.644 177 3HG2 ILE 49 HG23 ILE 49 -6.736 -7.248 -1.860 178 1HD1 ILE 49 HD11 ILE 49 -5.214 -4.759 -5.059 179 2HD1 ILE 49 HD12 ILE 49 -6.435 -5.864 -5.693 180 3HD1 ILE 49 HD13 ILE 49 -6.696 -5.065 -4.141 181 H GLU 50 HN GLU 50 -5.688 -10.264 -1.248 182 HA GLU 50 HA GLU 50 -7.795 -12.006 -2.331 183 1HB GLU 50 HB2 GLU 50 -5.410 -12.643 -0.773 184 2HB GLU 50 HB3 GLU 50 -6.883 -13.322 -0.100 185 1HG GLU 50 HG2 GLU 50 -7.306 -14.115 -2.538 186 2HG GLU 50 HG3 GLU 50 -5.568 -13.863 -2.713 187 HA PRO 51 HA PRO 51 -10.371 -10.154 0.801 188 1HB PRO 51 HB2 PRO 51 -12.206 -12.368 0.183 189 2HB PRO 51 HB3 PRO 51 -12.445 -10.631 -0.016 190 1HG PRO 51 HG2 PRO 51 -12.137 -12.273 -2.128 191 2HG PRO 51 HG3 PRO 51 -11.525 -10.609 -2.130 192 1HD PRO 51 HD2 PRO 51 -10.042 -13.172 -1.683 193 2HD PRO 51 HD3 PRO 51 -9.565 -11.745 -2.630 194 H SER 52 HN SER 52 -9.146 -13.349 0.643 195 HA SER 52 HA SER 52 -10.187 -14.358 3.087 196 1HB SER 52 HB2 SER 52 -7.612 -15.251 1.804 197 2HB SER 52 HB3 SER 52 -8.769 -16.211 2.728 198 HG SER 52 HG SER 52 -8.651 -15.992 0.137 199 H LEU 53 HN LEU 53 -7.347 -12.516 2.183 200 HA LEU 53 HA LEU 53 -6.410 -12.669 4.964 201 1HB LEU 53 HB2 LEU 53 -4.116 -12.223 3.915 202 2HB LEU 53 HB3 LEU 53 -4.796 -13.830 3.780 203 HG LEU 53 HG LEU 53 -5.510 -13.263 1.447 204 1HD1 LEU 53 HD11 LEU 53 -3.859 -10.790 1.916 205 2HD1 LEU 53 HD12 LEU 53 -4.455 -11.342 0.350 206 3HD1 LEU 53 HD13 LEU 53 -5.597 -10.853 1.601 207 1HD2 LEU 53 HD21 LEU 53 -3.268 -13.458 0.494 208 2HD2 LEU 53 HD22 LEU 53 -2.573 -13.047 2.064 209 3HD2 LEU 53 HD23 LEU 53 -3.499 -14.536 1.873 210 H GLU 54 HN GLU 54 -7.868 -10.611 2.918 211 HA GLU 54 HA GLU 54 -8.046 -8.367 2.721 212 1HB GLU 54 HB2 GLU 54 -8.324 -7.206 4.883 213 2HB GLU 54 HB3 GLU 54 -9.208 -8.717 4.798 214 1HG GLU 54 HG2 GLU 54 -7.622 -9.797 6.222 215 2HG GLU 54 HG3 GLU 54 -6.547 -8.400 6.161 216 H ALA 55 HN ALA 55 -5.768 -8.744 1.710 217 HA ALA 55 HA ALA 55 -4.294 -6.418 2.355 218 1HB ALA 55 HB1 ALA 55 -2.920 -9.045 2.870 219 2HB ALA 55 HB2 ALA 55 -2.177 -7.447 2.945 220 3HB ALA 55 HB3 ALA 55 -3.428 -7.894 4.106 221 H ALA 56 HN ALA 56 -2.258 -6.289 0.919 222 HA ALA 56 HA ALA 56 -2.787 -7.652 -1.633 223 1HB ALA 56 HB1 ALA 56 -2.714 -5.567 -2.845 224 2HB ALA 56 HB2 ALA 56 -3.989 -5.513 -1.629 225 3HB ALA 56 HB3 ALA 56 -2.464 -4.674 -1.344 226 H PHE 57 HN PHE 57 -1.075 -7.880 -3.004 227 HA PHE 57 HA PHE 57 1.576 -7.154 -1.973 228 1HB PHE 57 HB2 PHE 57 0.625 -9.184 -3.979 229 2HB PHE 57 HB3 PHE 57 2.305 -8.663 -3.962 230 HD1 PHE 57 HD1 PHE 57 3.673 -9.065 -1.895 231 HD2 PHE 57 HD2 PHE 57 -0.187 -10.765 -2.446 232 HE1 PHE 57 HE1 PHE 57 4.173 -10.745 -0.168 233 HE2 PHE 57 HE2 PHE 57 0.303 -12.449 -0.719 234 HZ PHE 57 HZ PHE 57 2.486 -12.442 0.423 235 H VAL 58 HN VAL 58 2.780 -5.645 -2.939 236 HA VAL 58 HA VAL 58 1.798 -4.504 -5.480 237 HB VAL 58 HB VAL 58 3.314 -3.222 -3.205 238 1HG1 VAL 58 HG11 VAL 58 2.918 -2.058 -5.963 239 2HG1 VAL 58 HG12 VAL 58 3.604 -1.224 -4.570 240 3HG1 VAL 58 HG13 VAL 58 4.455 -2.591 -5.288 241 1HG2 VAL 58 HG21 VAL 58 0.926 -3.144 -3.005 242 2HG2 VAL 58 HG22 VAL 58 1.508 -1.535 -3.435 243 3HG2 VAL 58 HG23 VAL 58 0.763 -2.560 -4.659 244 H ASP 59 HN ASP 59 3.101 -4.373 -7.209 245 HA ASP 59 HA ASP 59 5.713 -5.701 -6.960 246 1HB ASP 59 HB2 ASP 59 4.023 -6.844 -8.385 247 2HB ASP 59 HB3 ASP 59 3.969 -5.400 -9.412 248 H TYR 60 HN TYR 60 7.224 -4.144 -6.765 249 HA TYR 60 HA TYR 60 7.413 -2.247 -9.008 250 1HB TYR 60 HB2 TYR 60 8.664 -0.737 -7.396 251 2HB TYR 60 HB3 TYR 60 6.945 -0.911 -7.055 252 HD1 TYR 60 HD1 TYR 60 6.221 -2.379 -5.155 253 HD2 TYR 60 HD2 TYR 60 10.306 -1.410 -5.813 254 HE1 TYR 60 HE1 TYR 60 6.740 -3.034 -2.845 255 HE2 TYR 60 HE2 TYR 60 10.839 -2.062 -3.504 256 HH TYR 60 HH TYR 60 8.624 -3.725 -1.503 257 H GLY 61 HN GLY 61 8.503 -4.284 -9.838 258 1HA GLY 61 HA1 GLY 61 10.327 -5.643 -10.209 259 2HA GLY 61 HA2 GLY 61 11.288 -4.239 -9.764 260 H ALA 62 HN ALA 62 9.069 -5.499 -7.458 261 HA ALA 62 HA ALA 62 11.210 -5.854 -5.575 262 1HB ALA 62 HB1 ALA 62 9.141 -4.775 -4.886 263 2HB ALA 62 HB2 ALA 62 8.235 -6.241 -5.260 264 3HB ALA 62 HB3 ALA 62 9.414 -6.245 -3.948 265 H GLU 63 HN GLU 63 11.838 -7.730 -4.560 266 HA GLU 63 HA GLU 63 11.257 -10.131 -6.125 267 1HB GLU 63 HB2 GLU 63 13.628 -9.148 -5.536 268 2HB GLU 63 HB3 GLU 63 13.378 -10.016 -4.027 269 1HG GLU 63 HG2 GLU 63 14.634 -11.367 -5.582 270 2HG GLU 63 HG3 GLU 63 13.056 -12.091 -5.277 271 H ARG 64 HN ARG 64 10.768 -8.763 -2.975 272 HA ARG 64 HA ARG 64 9.689 -11.341 -2.064 273 1HB ARG 64 HB2 ARG 64 10.518 -8.874 -0.546 274 2HB ARG 64 HB3 ARG 64 9.560 -10.148 0.191 275 1HG ARG 64 HG2 ARG 64 12.231 -10.646 -1.099 276 2HG ARG 64 HG3 ARG 64 12.036 -10.246 0.607 277 1HD ARG 64 HD2 ARG 64 12.207 -12.637 0.364 278 2HD ARG 64 HD3 ARG 64 10.573 -12.218 0.871 279 HE ARG 64 HE ARG 64 11.274 -12.882 -1.923 280 1HH1 ARG 64 HH1 ARG 64 9.193 -13.176 0.872 281 2HH1 ARG 64 HH1 ARG 64 7.994 -14.135 0.058 282 1HH2 ARG 64 HH2 ARG 64 9.699 -14.124 -3.027 283 2HH2 ARG 64 HH2 ARG 64 8.290 -14.681 -2.173 284 H HIS 65 HN HIS 65 8.810 -8.367 -3.323 285 HA HIS 65 HA HIS 65 6.821 -7.462 -3.904 286 1HB HIS 65 HB2 HIS 65 6.079 -10.215 -3.279 287 2HB HIS 65 HB3 HIS 65 4.755 -9.078 -3.016 288 HD1 HIS 65 HD1 HIS 65 3.468 -9.962 -5.077 289 HD2 HIS 65 HD2 HIS 65 7.224 -8.413 -5.938 290 HE1 HIS 65 HE1 HIS 65 3.486 -9.578 -7.553 291 HE2 HIS 65 HE2 HIS 65 5.755 -8.593 -8.061 292 H GLY 66 HN GLY 66 6.222 -5.706 -2.938 293 1HA GLY 66 HA1 GLY 66 6.235 -5.349 -0.139 294 2HA GLY 66 HA2 GLY 66 5.570 -4.224 -1.314 295 H PHE 67 HN PHE 67 4.812 -6.020 1.298 296 HA PHE 67 HA PHE 67 2.109 -6.658 0.346 297 1HB PHE 67 HB2 PHE 67 3.579 -8.451 1.350 298 2HB PHE 67 HB3 PHE 67 3.426 -7.604 2.877 299 HD1 PHE 67 HD1 PHE 67 1.018 -8.563 0.186 300 HD2 PHE 67 HD2 PHE 67 2.043 -8.705 4.312 301 HE1 PHE 67 HE1 PHE 67 -1.082 -9.762 0.665 302 HE2 PHE 67 HE2 PHE 67 -0.049 -9.899 4.800 303 HZ PHE 67 HZ PHE 67 -1.601 -10.493 2.893 304 H LEU 68 HN LEU 68 0.694 -5.134 0.730 305 HA LEU 68 HA LEU 68 0.902 -3.451 3.122 306 1HB LEU 68 HB2 LEU 68 0.283 -2.919 0.452 307 2HB LEU 68 HB3 LEU 68 -1.254 -2.823 1.287 308 HG LEU 68 HG LEU 68 1.212 -1.209 1.914 309 1HD1 LEU 68 HD11 LEU 68 -0.166 0.676 1.160 310 2HD1 LEU 68 HD12 LEU 68 0.080 -0.508 -0.124 311 3HD1 LEU 68 HD13 LEU 68 -1.460 -0.446 0.736 312 1HD2 LEU 68 HD21 LEU 68 0.010 -1.687 3.950 313 2HD2 LEU 68 HD22 LEU 68 -0.260 -0.007 3.480 314 3HD2 LEU 68 HD23 LEU 68 -1.515 -1.215 3.197 315 HA PRO 69 HA PRO 69 -2.577 -5.818 4.908 316 1HB PRO 69 HB2 PRO 69 -2.201 -3.707 6.955 317 2HB PRO 69 HB3 PRO 69 -2.277 -5.460 7.157 318 1HG PRO 69 HG2 PRO 69 0.039 -4.167 7.395 319 2HG PRO 69 HG3 PRO 69 -0.037 -5.750 6.595 320 1HD PRO 69 HD2 PRO 69 0.136 -3.015 5.378 321 2HD PRO 69 HD3 PRO 69 0.984 -4.507 4.917 322 H LEU 70 HN LEU 70 -4.740 -5.340 4.966 323 HA LEU 70 HA LEU 70 -5.652 -3.074 3.550 324 1HB LEU 70 HB2 LEU 70 -7.004 -4.934 3.331 325 2HB LEU 70 HB3 LEU 70 -6.968 -5.297 5.041 326 HG LEU 70 HG LEU 70 -8.415 -3.298 5.435 327 1HD1 LEU 70 HD11 LEU 70 -9.607 -2.357 3.502 328 2HD1 LEU 70 HD12 LEU 70 -7.874 -2.026 3.455 329 3HD1 LEU 70 HD13 LEU 70 -8.560 -3.285 2.425 330 1HD2 LEU 70 HD21 LEU 70 -9.493 -5.420 3.585 331 2HD2 LEU 70 HD22 LEU 70 -9.367 -5.524 5.343 332 3HD2 LEU 70 HD23 LEU 70 -10.464 -4.358 4.607 333 H LYS 71 HN LYS 71 -5.412 -3.785 6.989 334 HA LYS 71 HA LYS 71 -7.074 -1.722 7.925 335 1HB LYS 71 HB2 LYS 71 -6.041 -2.038 10.070 336 2HB LYS 71 HB3 LYS 71 -6.180 -3.611 9.301 337 1HG LYS 71 HG2 LYS 71 -3.859 -3.656 8.797 338 2HG LYS 71 HG3 LYS 71 -3.664 -1.967 9.271 339 1HD LYS 71 HD2 LYS 71 -4.404 -2.648 11.580 340 2HD LYS 71 HD3 LYS 71 -4.283 -4.323 11.044 341 1HE LYS 71 HE2 LYS 71 -1.922 -4.017 10.555 342 2HE LYS 71 HE3 LYS 71 -2.034 -2.315 11.007 343 1HZ LYS 71 HZ1 LYS 71 -2.699 -3.060 13.256 344 2HZ LYS 71 HZ2 LYS 71 -1.126 -3.526 12.831 345 3HZ LYS 71 HZ3 LYS 71 -2.387 -4.664 12.790 346 H GLU 72 HN GLU 72 -3.919 -1.649 6.575 347 HA GLU 72 HA GLU 72 -3.160 0.920 7.629 348 1HB GLU 72 HB2 GLU 72 -2.036 -0.575 5.248 349 2HB GLU 72 HB3 GLU 72 -1.272 0.760 6.104 350 1HG GLU 72 HG2 GLU 72 -1.880 -1.906 7.352 351 2HG GLU 72 HG3 GLU 72 -0.341 -1.492 6.602 352 H ILE 73 HN ILE 73 -4.979 -0.282 4.950 353 HA ILE 73 HA ILE 73 -4.230 1.327 2.871 354 HB ILE 73 HB ILE 73 -6.762 -0.096 3.510 355 1HG1 ILE 73 HG12 ILE 73 -4.676 -0.264 1.323 356 2HG1 ILE 73 HG13 ILE 73 -4.950 -1.406 2.638 357 1HG2 ILE 73 HG21 ILE 73 -7.723 0.560 1.331 358 2HG2 ILE 73 HG22 ILE 73 -7.621 1.899 2.474 359 3HG2 ILE 73 HG23 ILE 73 -6.450 1.768 1.161 360 1HD1 ILE 73 HD11 ILE 73 -7.111 -1.986 1.673 361 2HD1 ILE 73 HD12 ILE 73 -6.829 -0.846 0.359 362 3HD1 ILE 73 HD13 ILE 73 -5.794 -2.263 0.538 363 H ALA 74 HN ALA 74 -4.323 3.327 2.378 364 HA ALA 74 HA ALA 74 -5.881 5.224 3.912 365 1HB ALA 74 HB1 ALA 74 -3.902 5.600 1.661 366 2HB ALA 74 HB2 ALA 74 -4.668 6.907 2.566 367 3HB ALA 74 HB3 ALA 74 -3.583 5.783 3.386 368 H ARG 75 HN ARG 75 -7.241 6.764 2.914 369 HA ARG 75 HA ARG 75 -9.195 5.649 1.269 370 1HB ARG 75 HB2 ARG 75 -9.392 7.559 2.971 371 2HB ARG 75 HB3 ARG 75 -8.861 8.610 1.664 372 1HG ARG 75 HG2 ARG 75 -10.758 7.943 0.316 373 2HG ARG 75 HG3 ARG 75 -11.282 6.823 1.576 374 1HD ARG 75 HD2 ARG 75 -11.114 9.826 1.775 375 2HD ARG 75 HD3 ARG 75 -12.581 8.854 1.691 376 HE ARG 75 HE ARG 75 -11.071 8.010 3.901 377 1HH1 ARG 75 HH1 ARG 75 -12.923 10.790 2.843 378 2HH1 ARG 75 HH1 ARG 75 -13.345 11.277 4.454 379 1HH2 ARG 75 HH2 ARG 75 -11.615 8.665 6.022 380 2HH2 ARG 75 HH2 ARG 75 -12.613 10.077 6.251 381 H GLU 76 HN GLU 76 -6.222 7.131 0.347 382 HA GLU 76 HA GLU 76 -6.923 8.197 -2.165 383 1HB GLU 76 HB2 GLU 76 -4.629 8.196 -0.920 384 2HB GLU 76 HB3 GLU 76 -4.364 6.671 -1.756 385 1HG GLU 76 HG2 GLU 76 -3.353 8.337 -3.079 386 2HG GLU 76 HG3 GLU 76 -4.853 7.891 -3.896 387 H TYR 77 HN TYR 77 -6.814 4.977 -1.030 388 HA TYR 77 HA TYR 77 -6.420 3.770 -3.639 389 1HB TYR 77 HB2 TYR 77 -7.079 2.453 -0.992 390 2HB TYR 77 HB3 TYR 77 -6.542 1.638 -2.456 391 HD1 TYR 77 HD1 TYR 77 -4.580 4.256 -2.795 392 HD2 TYR 77 HD2 TYR 77 -5.132 1.150 0.057 393 HE1 TYR 77 HE1 TYR 77 -2.242 4.496 -2.089 394 HE2 TYR 77 HE2 TYR 77 -2.793 1.384 0.773 395 HH TYR 77 HH TYR 77 -0.680 2.230 -0.072 396 H PHE 78 HN PHE 78 -8.944 3.919 -1.160 397 HA PHE 78 HA PHE 78 -10.947 3.416 -3.241 398 1HB PHE 78 HB2 PHE 78 -12.558 3.103 -1.389 399 2HB PHE 78 HB3 PHE 78 -11.222 1.968 -1.300 400 HD1 PHE 78 HD1 PHE 78 -9.215 2.821 0.228 401 HD2 PHE 78 HD2 PHE 78 -13.262 4.086 0.570 402 HE1 PHE 78 HE1 PHE 78 -8.808 3.488 2.558 403 HE2 PHE 78 HE2 PHE 78 -12.858 4.754 2.900 404 HZ PHE 78 HZ PHE 78 -10.708 4.419 3.919 405 HA PRO 79 HA PRO 79 -10.356 7.745 -3.912 406 1HB PRO 79 HB2 PRO 79 -13.229 7.334 -4.659 407 2HB PRO 79 HB3 PRO 79 -11.981 8.285 -5.477 408 1HG PRO 79 HG2 PRO 79 -12.633 5.772 -6.243 409 2HG PRO 79 HG3 PRO 79 -11.006 6.449 -6.418 410 1HD PRO 79 HD2 PRO 79 -11.907 4.299 -4.674 411 2HD PRO 79 HD3 PRO 79 -10.252 4.843 -5.014 412 H ALA 80 HN ALA 80 -10.540 9.498 -2.798 413 HA ALA 80 HA ALA 80 -11.552 9.674 -0.269 414 1HB ALA 80 HB1 ALA 80 -9.894 11.175 -1.280 415 2HB ALA 80 HB2 ALA 80 -11.192 11.984 -2.159 416 3HB ALA 80 HB3 ALA 80 -11.154 12.042 -0.396 417 H ASN 81 HN ASN 81 -13.452 9.946 -3.146 418 HA ASN 81 HA ASN 81 -15.620 11.310 -1.728 419 1HB ASN 81 HB2 ASN 81 -15.410 10.466 -4.623 420 2HB ASN 81 HB3 ASN 81 -16.770 11.334 -3.920 421 1HD2 ASN 81 HD21 ASN 81 -15.102 12.143 -6.085 422 2HD2 ASN 81 HD22 ASN 81 -14.351 13.635 -5.612 423 H TYR 82 HN TYR 82 -14.550 8.220 -2.190 424 HA TYR 82 HA TYR 82 -16.993 6.811 -2.642 425 1HB TYR 82 HB2 TYR 82 -14.711 5.942 -3.156 426 2HB TYR 82 HB3 TYR 82 -14.372 5.861 -1.438 427 HD1 TYR 82 HD1 TYR 82 -16.224 4.359 -4.221 428 HD2 TYR 82 HD2 TYR 82 -15.272 4.062 -0.085 429 HE1 TYR 82 HE1 TYR 82 -17.046 2.044 -4.204 430 HE2 TYR 82 HE2 TYR 82 -16.097 1.744 -0.056 431 HH TYR 82 HH TYR 82 -17.622 0.312 -1.336 432 H SER 83 HN SER 83 -18.348 5.828 -1.143 433 HA SER 83 HA SER 83 -18.628 7.186 1.326 434 1HB SER 83 HB2 SER 83 -19.978 4.662 0.335 435 2HB SER 83 HB3 SER 83 -20.500 5.624 1.720 436 HG SER 83 HG SER 83 -20.761 7.399 0.252 437 H ALA 84 HN ALA 84 -17.113 6.928 2.841 438 HA ALA 84 HA ALA 84 -16.222 4.199 3.485 439 1HB ALA 84 HB1 ALA 84 -14.875 6.833 4.085 440 2HB ALA 84 HB2 ALA 84 -14.241 5.231 4.465 441 3HB ALA 84 HB3 ALA 84 -14.440 5.725 2.784 442 H HIS 85 HN HIS 85 -17.689 3.515 4.980 443 HA HIS 85 HA HIS 85 -17.895 5.143 7.432 444 1HB HIS 85 HB2 HIS 85 -19.908 3.227 6.241 445 2HB HIS 85 HB3 HIS 85 -20.053 3.926 7.850 446 HD1 HIS 85 HD1 HIS 85 -21.045 4.471 4.439 447 HD2 HIS 85 HD2 HIS 85 -20.169 6.904 7.696 448 HE1 HIS 85 HE1 HIS 85 -22.064 6.710 3.910 449 HE2 HIS 85 HE2 HIS 85 -21.408 8.202 5.833 450 H GLY 86 HN GLY 86 -16.097 4.241 8.421 451 1HA GLY 86 HA1 GLY 86 -15.798 2.696 10.286 452 2HA GLY 86 HA2 GLY 86 -16.516 1.445 9.282 453 H ARG 87 HN ARG 87 -15.253 0.286 7.917 454 HA ARG 87 HA ARG 87 -12.408 1.014 7.748 455 1HB ARG 87 HB2 ARG 87 -13.588 -1.642 8.555 456 2HB ARG 87 HB3 ARG 87 -11.929 -1.474 7.999 457 1HG ARG 87 HG2 ARG 87 -11.435 0.010 9.853 458 2HG ARG 87 HG3 ARG 87 -13.113 -0.085 10.392 459 1HD ARG 87 HD2 ARG 87 -12.904 -2.382 10.933 460 2HD ARG 87 HD3 ARG 87 -11.350 -2.505 10.109 461 HE ARG 87 HE ARG 87 -10.837 -0.674 12.007 462 1HH1 ARG 87 HH1 ARG 87 -12.417 -3.797 12.175 463 2HH1 ARG 87 HH1 ARG 87 -11.790 -4.164 13.752 464 1HH2 ARG 87 HH2 ARG 87 -10.029 -1.155 14.103 465 2HH2 ARG 87 HH2 ARG 87 -10.458 -2.672 14.855 466 HA PRO 88 HA PRO 88 -13.049 0.158 3.402 467 1HB PRO 88 HB2 PRO 88 -10.335 -0.180 2.883 468 2HB PRO 88 HB3 PRO 88 -11.210 1.352 2.809 469 1HG PRO 88 HG2 PRO 88 -9.466 0.258 4.958 470 2HG PRO 88 HG3 PRO 88 -9.686 1.940 4.427 471 1HD PRO 88 HD2 PRO 88 -10.799 0.979 6.693 472 2HD PRO 88 HD3 PRO 88 -11.582 2.222 5.694 473 H ASN 89 HN ASN 89 -13.214 -1.678 2.216 474 HA ASN 89 HA ASN 89 -11.927 -4.110 3.244 475 1HB ASN 89 HB2 ASN 89 -13.676 -5.234 1.664 476 2HB ASN 89 HB3 ASN 89 -14.181 -4.631 3.235 477 1HD2 ASN 89 HD21 ASN 89 -13.547 -2.651 0.369 478 2HD2 ASN 89 HD22 ASN 89 -15.185 -2.130 0.165 479 H ILE 90 HN ILE 90 -10.258 -4.893 2.138 480 HA ILE 90 HA ILE 90 -9.124 -3.223 0.209 481 HB ILE 90 HB ILE 90 -7.816 -4.585 1.785 482 1HG1 ILE 90 HG12 ILE 90 -6.980 -5.278 -1.010 483 2HG1 ILE 90 HG13 ILE 90 -6.974 -3.612 -0.438 484 1HG2 ILE 90 HG21 ILE 90 -7.303 -6.921 1.287 485 2HG2 ILE 90 HG22 ILE 90 -9.021 -6.698 1.629 486 3HG2 ILE 90 HG23 ILE 90 -8.473 -6.898 -0.035 487 1HD1 ILE 90 HD11 ILE 90 -4.782 -4.598 -0.236 488 2HD1 ILE 90 HD12 ILE 90 -5.445 -4.251 1.358 489 3HD1 ILE 90 HD13 ILE 90 -5.435 -5.906 0.749 490 H LYS 91 HN LYS 91 -10.841 -6.263 -0.172 491 HA LYS 91 HA LYS 91 -10.233 -6.738 -2.865 492 1HB LYS 91 HB2 LYS 91 -12.351 -8.062 -2.863 493 2HB LYS 91 HB3 LYS 91 -11.259 -8.445 -1.537 494 1HG LYS 91 HG2 LYS 91 -12.605 -6.912 -0.097 495 2HG LYS 91 HG3 LYS 91 -13.762 -6.784 -1.420 496 1HD LYS 91 HD2 LYS 91 -14.131 -9.192 -1.341 497 2HD LYS 91 HD3 LYS 91 -12.936 -9.339 -0.046 498 1HE LYS 91 HE2 LYS 91 -15.191 -9.348 0.863 499 2HE LYS 91 HE3 LYS 91 -14.310 -7.913 1.382 500 1HZ LYS 91 HZ1 LYS 91 -16.415 -8.072 -0.708 501 2HZ LYS 91 HZ2 LYS 91 -15.453 -6.699 -0.462 502 3HZ LYS 91 HZ3 LYS 91 -16.487 -7.242 0.769 503 H ASP 92 HN ASP 92 -12.297 -4.353 -1.453 504 HA ASP 92 HA ASP 92 -13.382 -3.698 -4.121 505 1HB ASP 92 HB2 ASP 92 -14.579 -3.065 -1.410 506 2HB ASP 92 HB3 ASP 92 -15.258 -2.589 -2.960 507 H VAL 93 HN VAL 93 -10.857 -2.922 -2.617 508 HA VAL 93 HA VAL 93 -11.227 0.005 -2.728 509 HB VAL 93 HB VAL 93 -9.602 -1.619 -0.768 510 1HG1 VAL 93 HG11 VAL 93 -8.191 0.185 -1.530 511 2HG1 VAL 93 HG12 VAL 93 -9.488 1.349 -1.257 512 3HG1 VAL 93 HG13 VAL 93 -8.753 0.511 0.108 513 1HG2 VAL 93 HG21 VAL 93 -11.888 -1.312 -0.099 514 2HG2 VAL 93 HG22 VAL 93 -10.863 -0.274 0.892 515 3HG2 VAL 93 HG23 VAL 93 -11.799 0.417 -0.432 516 H LEU 94 HN LEU 94 -8.873 -2.644 -2.932 517 HA LEU 94 HA LEU 94 -7.363 -1.008 -4.849 518 1HB LEU 94 HB2 LEU 94 -6.510 -3.393 -3.218 519 2HB LEU 94 HB3 LEU 94 -5.525 -2.661 -4.464 520 HG LEU 94 HG LEU 94 -6.452 -1.204 -1.990 521 1HD1 LEU 94 HD11 LEU 94 -4.147 -1.494 -1.200 522 2HD1 LEU 94 HD12 LEU 94 -4.969 -3.041 -1.389 523 3HD1 LEU 94 HD13 LEU 94 -3.800 -2.512 -2.597 524 1HD2 LEU 94 HD21 LEU 94 -4.729 0.408 -2.647 525 2HD2 LEU 94 HD22 LEU 94 -4.392 -0.543 -4.095 526 3HD2 LEU 94 HD23 LEU 94 -5.962 0.237 -3.897 527 H ARG 95 HN ARG 95 -6.434 -2.178 -6.665 528 HA ARG 95 HA ARG 95 -7.541 -4.757 -7.314 529 1HB ARG 95 HB2 ARG 95 -8.348 -4.052 -9.541 530 2HB ARG 95 HB3 ARG 95 -9.267 -3.320 -8.236 531 1HG ARG 95 HG2 ARG 95 -6.994 -1.833 -9.465 532 2HG ARG 95 HG3 ARG 95 -8.547 -1.907 -10.296 533 1HD ARG 95 HD2 ARG 95 -8.029 -0.854 -7.516 534 2HD ARG 95 HD3 ARG 95 -8.410 0.103 -8.947 535 HE ARG 95 HE ARG 95 -10.491 -1.701 -8.631 536 1HH1 ARG 95 HH1 ARG 95 -9.121 1.051 -6.933 537 2HH1 ARG 95 HH1 ARG 95 -10.570 1.376 -6.036 538 1HH2 ARG 95 HH2 ARG 95 -12.417 -1.224 -7.492 539 2HH2 ARG 95 HH2 ARG 95 -12.440 0.098 -6.352 540 H GLU 96 HN GLU 96 -6.306 -5.853 -8.846 541 HA GLU 96 HA GLU 96 -3.577 -5.230 -8.918 542 1HB GLU 96 HB2 GLU 96 -5.150 -7.084 -10.725 543 2HB GLU 96 HB3 GLU 96 -3.395 -7.056 -10.572 544 1HG GLU 96 HG2 GLU 96 -3.540 -7.726 -8.263 545 2HG GLU 96 HG3 GLU 96 -5.300 -7.641 -8.316 546 H GLY 97 HN GLY 97 -2.615 -3.668 -9.963 547 1HA GLY 97 HA1 GLY 97 -2.051 -2.627 -12.086 548 2HA GLY 97 HA2 GLY 97 -3.744 -2.779 -12.538 549 H GLN 98 HN GLN 98 -3.852 -1.912 -9.381 550 HA GLN 98 HA GLN 98 -4.047 0.936 -10.038 551 1HB GLN 98 HB2 GLN 98 -5.854 -0.380 -8.710 552 2HB GLN 98 HB3 GLN 98 -4.736 -0.250 -7.359 553 1HG GLN 98 HG2 GLN 98 -4.760 2.188 -7.571 554 2HG GLN 98 HG3 GLN 98 -5.899 2.057 -8.908 555 1HE2 GLN 98 HE21 GLN 98 -5.943 0.125 -5.972 556 2HE2 GLN 98 HE22 GLN 98 -7.431 0.760 -5.357 557 H GLU 99 HN GLU 99 -2.676 2.424 -9.282 558 HA GLU 99 HA GLU 99 -0.200 1.533 -8.120 559 1HB GLU 99 HB2 GLU 99 0.435 3.918 -8.285 560 2HB GLU 99 HB3 GLU 99 -0.173 3.272 -9.815 561 1HG GLU 99 HG2 GLU 99 -2.376 4.245 -9.283 562 2HG GLU 99 HG3 GLU 99 -1.674 4.967 -7.830 563 H VAL 100 HN VAL 100 0.728 2.315 -6.218 564 HA VAL 100 HA VAL 100 -0.974 3.821 -4.371 565 HB VAL 100 HB VAL 100 -0.204 2.464 -2.471 566 1HG1 VAL 100 HG11 VAL 100 -1.684 0.936 -4.600 567 2HG1 VAL 100 HG12 VAL 100 -1.605 0.472 -2.898 568 3HG1 VAL 100 HG13 VAL 100 -2.375 1.991 -3.364 569 1HG2 VAL 100 HG21 VAL 100 0.901 0.594 -4.562 570 2HG2 VAL 100 HG22 VAL 100 1.856 1.598 -3.467 571 3HG2 VAL 100 HG23 VAL 100 0.851 0.296 -2.823 572 H ILE 101 HN ILE 101 0.186 5.139 -2.945 573 HA ILE 101 HA ILE 101 3.048 5.427 -3.490 574 HB ILE 101 HB ILE 101 1.514 7.108 -1.524 575 1HG1 ILE 101 HG12 ILE 101 0.160 7.129 -3.557 576 2HG1 ILE 101 HG13 ILE 101 0.940 8.685 -3.314 577 1HG2 ILE 101 HG21 ILE 101 3.920 7.364 -1.594 578 2HG2 ILE 101 HG22 ILE 101 3.857 7.675 -3.328 579 3HG2 ILE 101 HG23 ILE 101 3.134 8.822 -2.200 580 1HD1 ILE 101 HD11 ILE 101 0.969 7.978 -5.651 581 2HD1 ILE 101 HD12 ILE 101 2.596 8.144 -4.991 582 3HD1 ILE 101 HD13 ILE 101 1.888 6.541 -5.200 583 H VAL 102 HN VAL 102 4.285 4.082 -2.283 584 HA VAL 102 HA VAL 102 3.599 3.743 0.545 585 HB VAL 102 HB VAL 102 4.199 1.260 0.247 586 1HG1 VAL 102 HG11 VAL 102 1.850 0.709 -0.205 587 2HG1 VAL 102 HG12 VAL 102 2.012 2.053 0.928 588 3HG1 VAL 102 HG13 VAL 102 1.579 2.362 -0.753 589 1HG2 VAL 102 HG21 VAL 102 3.430 1.990 -2.579 590 2HG2 VAL 102 HG22 VAL 102 4.964 1.309 -2.039 591 3HG2 VAL 102 HG23 VAL 102 3.491 0.339 -1.954 592 H GLN 103 HN GLN 103 5.291 4.088 1.745 593 HA GLN 103 HA GLN 103 7.937 3.611 0.627 594 1HB GLN 103 HB2 GLN 103 8.808 4.901 2.511 595 2HB GLN 103 HB3 GLN 103 7.579 5.814 1.653 596 1HG GLN 103 HG2 GLN 103 5.956 5.051 3.417 597 2HG GLN 103 HG3 GLN 103 7.355 4.462 4.318 598 1HE2 GLN 103 HE21 GLN 103 5.603 7.233 3.245 599 2HE2 GLN 103 HE22 GLN 103 6.451 8.397 4.201 600 H ILE 104 HN ILE 104 9.233 2.073 1.385 601 HA ILE 104 HA ILE 104 7.954 -0.116 2.686 602 HB ILE 104 HB ILE 104 10.717 0.340 1.598 603 1HG1 ILE 104 HG12 ILE 104 8.879 -0.011 0.012 604 2HG1 ILE 104 HG13 ILE 104 10.006 -1.364 -0.015 605 1HG2 ILE 104 HG21 ILE 104 11.221 -2.010 2.023 606 2HG2 ILE 104 HG22 ILE 104 10.994 -1.111 3.526 607 3HG2 ILE 104 HG23 ILE 104 9.713 -2.168 2.925 608 1HD1 ILE 104 HD11 ILE 104 7.668 -2.095 -0.112 609 2HD1 ILE 104 HD12 ILE 104 8.487 -2.691 1.328 610 3HD1 ILE 104 HD13 ILE 104 7.373 -1.331 1.450 611 H ASP 105 HN ASP 105 7.500 0.096 4.729 612 HA ASP 105 HA ASP 105 9.067 1.464 6.664 613 1HB ASP 105 HB2 ASP 105 6.666 1.165 6.973 614 2HB ASP 105 HB3 ASP 105 6.853 -0.585 6.957 615 H LYS 106 HN LYS 106 8.599 -1.922 5.820 616 HA LYS 106 HA LYS 106 11.087 -2.556 7.256 617 1HB LYS 106 HB2 LYS 106 8.827 -4.476 6.663 618 2HB LYS 106 HB3 LYS 106 10.259 -4.790 7.636 619 1HG LYS 106 HG2 LYS 106 9.482 -3.515 9.419 620 2HG LYS 106 HG3 LYS 106 8.330 -2.636 8.412 621 1HD LYS 106 HD2 LYS 106 7.058 -4.748 8.119 622 2HD LYS 106 HD3 LYS 106 8.162 -5.527 9.254 623 1HE LYS 106 HE2 LYS 106 6.105 -4.836 10.365 624 2HE LYS 106 HE3 LYS 106 7.493 -3.951 10.994 625 1HZ LYS 106 HZ1 LYS 106 5.550 -2.530 10.620 626 2HZ LYS 106 HZ2 LYS 106 5.595 -2.895 8.963 627 3HZ LYS 106 HZ3 LYS 106 6.880 -2.047 9.680 628 H GLU 107 HN GLU 107 12.682 -3.173 5.956 629 HA GLU 107 HA GLU 107 12.189 -3.313 3.136 630 1HB GLU 107 HB2 GLU 107 14.725 -3.502 4.733 631 2HB GLU 107 HB3 GLU 107 14.624 -3.323 2.999 632 1HG GLU 107 HG2 GLU 107 13.543 -1.141 3.291 633 2HG GLU 107 HG3 GLU 107 13.709 -1.319 5.038 634 H GLU 108 HN GLU 108 13.120 -5.016 1.829 635 HA GLU 108 HA GLU 108 12.361 -7.576 2.685 636 1HB GLU 108 HB2 GLU 108 14.272 -7.003 0.421 637 2HB GLU 108 HB3 GLU 108 13.169 -8.355 0.600 638 1HG GLU 108 HG2 GLU 108 11.272 -6.895 0.324 639 2HG GLU 108 HG3 GLU 108 12.344 -5.506 0.168 640 H ARG 109 HN ARG 109 13.367 -8.077 4.547 641 HA ARG 109 HA ARG 109 16.244 -8.649 4.417 642 1HB ARG 109 HB2 ARG 109 16.312 -8.018 6.863 643 2HB ARG 109 HB3 ARG 109 16.063 -6.677 5.759 644 1HG ARG 109 HG2 ARG 109 13.636 -6.821 6.234 645 2HG ARG 109 HG3 ARG 109 13.982 -8.055 7.442 646 1HD ARG 109 HD2 ARG 109 13.713 -5.876 8.488 647 2HD ARG 109 HD3 ARG 109 15.369 -6.453 8.674 648 HE ARG 109 HE ARG 109 15.803 -4.934 6.642 649 1HH1 ARG 109 HH1 ARG 109 13.424 -4.257 9.141 650 2HH1 ARG 109 HH1 ARG 109 13.547 -2.532 8.959 651 1HH2 ARG 109 HH2 ARG 109 15.961 -2.660 6.425 652 2HH2 ARG 109 HH2 ARG 109 14.989 -1.638 7.438 653 H GLY 110 HN GLY 110 14.216 -10.432 3.800 654 1HA GLY 110 HA1 GLY 110 13.998 -12.699 4.154 655 2HA GLY 110 HA2 GLY 110 14.899 -12.530 5.649 656 H ASN 111 HN ASN 111 13.719 -11.647 7.513 657 HA ASN 111 HA ASN 111 11.547 -13.396 7.925 658 1HB ASN 111 HB2 ASN 111 13.145 -12.880 9.672 659 2HB ASN 111 HB3 ASN 111 12.624 -11.199 9.690 660 1HD2 ASN 111 HD21 ASN 111 11.611 -14.499 10.305 661 2HD2 ASN 111 HD22 ASN 111 10.381 -14.103 11.461 662 H LYS 112 HN LYS 112 11.543 -10.015 7.031 663 HA LYS 112 HA LYS 112 8.639 -10.012 7.480 664 1HB LYS 112 HB2 LYS 112 10.606 -7.749 7.710 665 2HB LYS 112 HB3 LYS 112 8.908 -7.442 7.382 666 1HG LYS 112 HG2 LYS 112 8.917 -7.241 9.644 667 2HG LYS 112 HG3 LYS 112 8.565 -8.964 9.501 668 1HD LYS 112 HD2 LYS 112 10.911 -9.490 9.866 669 2HD LYS 112 HD3 LYS 112 11.299 -7.768 9.939 670 1HE LYS 112 HE2 LYS 112 9.690 -7.597 11.863 671 2HE LYS 112 HE3 LYS 112 9.608 -9.358 11.858 672 1HZ LYS 112 HZ1 LYS 112 12.000 -9.425 12.248 673 2HZ LYS 112 HZ2 LYS 112 11.201 -8.567 13.473 674 3HZ LYS 112 HZ3 LYS 112 12.058 -7.730 12.273 675 H GLY 113 HN GLY 113 11.284 -9.100 5.410 676 1HA GLY 113 HA1 GLY 113 11.374 -9.017 3.115 677 2HA GLY 113 HA2 GLY 113 9.689 -9.526 3.073 678 H ALA 114 HN ALA 114 8.976 -8.045 1.652 679 HA ALA 114 HA ALA 114 9.674 -5.251 2.045 680 1HB ALA 114 HB1 ALA 114 8.676 -4.836 -0.105 681 2HB ALA 114 HB2 ALA 114 9.750 -6.226 -0.226 682 3HB ALA 114 HB3 ALA 114 8.005 -6.467 -0.152 683 H ALA 115 HN ALA 115 8.502 -4.298 3.609 684 HA ALA 115 HA ALA 115 5.608 -4.834 3.715 685 1HB ALA 115 HB1 ALA 115 7.426 -3.651 5.805 686 2HB ALA 115 HB2 ALA 115 5.695 -3.944 5.990 687 3HB ALA 115 HB3 ALA 115 6.804 -5.302 5.779 688 H LEU 116 HN LEU 116 4.274 -3.309 2.996 689 HA LEU 116 HA LEU 116 5.321 -0.644 2.426 690 1HB LEU 116 HB2 LEU 116 2.520 -1.639 1.910 691 2HB LEU 116 HB3 LEU 116 3.335 -0.275 1.163 692 HG LEU 116 HG LEU 116 4.203 -3.131 0.736 693 1HD1 LEU 116 HD11 LEU 116 3.022 -3.021 -1.393 694 2HD1 LEU 116 HD12 LEU 116 1.903 -2.849 -0.041 695 3HD1 LEU 116 HD13 LEU 116 2.387 -1.430 -0.970 696 1HD2 LEU 116 HD21 LEU 116 5.844 -1.325 0.298 697 2HD2 LEU 116 HD22 LEU 116 5.394 -2.230 -1.145 698 3HD2 LEU 116 HD23 LEU 116 4.715 -0.629 -0.860 699 H THR 117 HN THR 117 4.255 1.252 3.210 700 HA THR 117 HA THR 117 2.558 0.802 5.576 701 HB THR 117 HB THR 117 4.927 1.596 6.072 702 HG1 THR 117 HG1 THR 117 3.365 1.944 7.631 703 1HG2 THR 117 HG21 THR 117 5.382 3.973 5.716 704 2HG2 THR 117 HG22 THR 117 3.858 4.136 4.843 705 3HG2 THR 117 HG23 THR 117 5.150 3.136 4.181 706 H THR 118 HN THR 118 1.353 2.899 6.140 707 HA THR 118 HA THR 118 0.669 4.422 3.719 708 HB THR 118 HB THR 118 -1.671 4.566 4.683 709 HG1 THR 118 HG1 THR 118 -2.195 2.859 6.139 710 1HG2 THR 118 HG21 THR 118 -2.332 2.384 3.763 711 2HG2 THR 118 HG22 THR 118 -0.648 1.861 3.802 712 3HG2 THR 118 HG23 THR 118 -1.134 3.181 2.740 713 H PHE 119 HN PHE 119 2.337 4.755 6.288 714 HA PHE 119 HA PHE 119 1.198 7.085 7.543 715 1HB PHE 119 HB2 PHE 119 2.841 5.429 8.591 716 2HB PHE 119 HB3 PHE 119 4.089 6.191 7.613 717 HD1 PHE 119 HD1 PHE 119 1.410 7.092 10.050 718 HD2 PHE 119 HD2 PHE 119 5.305 7.898 8.537 719 HE1 PHE 119 HE1 PHE 119 1.727 8.801 11.792 720 HE2 PHE 119 HE2 PHE 119 5.631 9.604 10.278 721 HZ PHE 119 HZ PHE 119 3.835 10.025 11.939 722 H ILE 120 HN ILE 120 0.989 7.530 4.969 723 HA ILE 120 HA ILE 120 3.215 9.264 4.126 724 HB ILE 120 HB ILE 120 1.661 7.551 2.191 725 1HG1 ILE 120 HG12 ILE 120 4.283 6.714 3.426 726 2HG1 ILE 120 HG13 ILE 120 2.734 6.181 4.070 727 1HG2 ILE 120 HG21 ILE 120 3.714 7.779 0.845 728 2HG2 ILE 120 HG22 ILE 120 2.994 9.339 1.240 729 3HG2 ILE 120 HG23 ILE 120 4.420 8.777 2.116 730 1HD1 ILE 120 HD11 ILE 120 3.858 5.624 1.344 731 2HD1 ILE 120 HD12 ILE 120 3.612 4.479 2.664 732 3HD1 ILE 120 HD13 ILE 120 2.222 5.202 1.853 733 H SER 121 HN SER 121 2.424 10.642 2.193 734 HA SER 121 HA SER 121 0.017 12.004 2.893 735 1HB SER 121 HB2 SER 121 1.668 12.312 0.379 736 2HB SER 121 HB3 SER 121 0.575 13.499 1.093 737 HG SER 121 HG SER 121 1.984 13.853 2.724 738 H LEU 122 HN LEU 122 -1.213 9.875 2.649 739 HA LEU 122 HA LEU 122 -2.248 9.644 -0.091 740 1HB LEU 122 HB2 LEU 122 -2.096 7.602 2.122 741 2HB LEU 122 HB3 LEU 122 -3.054 7.382 0.674 742 HG LEU 122 HG LEU 122 -0.143 7.945 0.366 743 1HD1 LEU 122 HD11 LEU 122 0.355 5.570 0.608 744 2HD1 LEU 122 HD12 LEU 122 -0.254 6.243 2.121 745 3HD1 LEU 122 HD13 LEU 122 -1.310 5.263 1.101 746 1HD2 LEU 122 HD21 LEU 122 -0.406 6.543 -1.592 747 2HD2 LEU 122 HD22 LEU 122 -2.045 6.111 -1.108 748 3HD2 LEU 122 HD23 LEU 122 -1.676 7.766 -1.589 749 H ALA 123 HN ALA 123 -4.573 8.879 -0.056 750 HA ALA 123 HA ALA 123 -6.740 8.925 0.616 751 1HB ALA 123 HB1 ALA 123 -5.841 9.991 3.286 752 2HB ALA 123 HB2 ALA 123 -7.391 9.249 2.892 753 3HB ALA 123 HB3 ALA 123 -5.917 8.277 2.881 754 H GLY 124 HN GLY 124 -6.094 10.733 -1.044 755 1HA GLY 124 HA1 GLY 124 -7.163 12.609 -1.877 756 2HA GLY 124 HA2 GLY 124 -7.805 12.931 -0.272 757 H SER 125 HN SER 125 -4.421 12.409 -1.047 758 HA SER 125 HA SER 125 -3.905 15.162 -0.143 759 1HB SER 125 HB2 SER 125 -2.065 12.754 -0.089 760 2HB SER 125 HB3 SER 125 -1.689 14.356 0.546 761 HG SER 125 HG SER 125 -4.030 13.198 1.481 Start of MODEL 9 1 1H GLY 30 H1 GLY 30 18.641 14.537 -10.275 2 2H GLY 30 H2 GLY 30 18.971 13.436 -9.032 3 3H GLY 30 H3 GLY 30 19.030 15.103 -8.722 4 1HA GLY 30 HA2 GLY 30 16.621 15.228 -9.264 5 2HA GLY 30 HA1 GLY 30 16.630 13.470 -9.331 6 H SER 31 HN SER 31 14.925 14.191 -7.579 7 HA SER 31 HA SER 31 16.313 14.192 -4.984 8 1HB SER 31 HB2 SER 31 14.272 15.494 -4.150 9 2HB SER 31 HB3 SER 31 15.424 16.371 -5.157 10 HG SER 31 HG SER 31 12.809 15.867 -5.603 11 H HIS 32 HN HIS 32 14.683 12.238 -6.910 12 HA HIS 32 HA HIS 32 12.629 11.295 -5.107 13 1HB HIS 32 HB2 HIS 32 13.573 10.518 -7.819 14 2HB HIS 32 HB3 HIS 32 12.689 9.324 -6.876 15 HD1 HIS 32 HD1 HIS 32 10.238 9.939 -6.203 16 HD2 HIS 32 HD2 HIS 32 12.033 12.532 -8.911 17 HE1 HIS 32 HE1 HIS 32 8.358 11.285 -7.195 18 HE2 HIS 32 HE2 HIS 32 9.449 12.691 -8.988 19 H MET 33 HN MET 33 15.301 11.306 -4.089 20 HA MET 33 HA MET 33 15.347 8.517 -3.188 21 1HB MET 33 HB2 MET 33 17.822 10.196 -3.691 22 2HB MET 33 HB3 MET 33 17.796 8.573 -3.026 23 1HG MET 33 HG2 MET 33 18.426 8.247 -5.224 24 2HG MET 33 HG3 MET 33 16.701 7.893 -5.244 25 1HE MET 33 HE1 MET 33 19.498 10.484 -6.149 26 2HE MET 33 HE2 MET 33 18.552 11.824 -6.794 27 3HE MET 33 HE3 MET 33 18.450 11.418 -5.082 28 H LEU 34 HN LEU 34 14.453 11.375 -2.420 29 HA LEU 34 HA LEU 34 15.884 11.591 0.141 30 1HB LEU 34 HB2 LEU 34 14.639 13.811 -1.472 31 2HB LEU 34 HB3 LEU 34 15.487 13.999 0.049 32 HG LEU 34 HG LEU 34 16.719 13.092 -2.554 33 1HD1 LEU 34 HD11 LEU 34 17.903 15.226 -2.460 34 2HD1 LEU 34 HD12 LEU 34 16.156 15.459 -2.546 35 3HD1 LEU 34 HD13 LEU 34 16.999 15.663 -1.011 36 1HD2 LEU 34 HD21 LEU 34 18.842 13.215 -1.372 37 2HD2 LEU 34 HD22 LEU 34 17.998 13.624 0.121 38 3HD2 LEU 34 HD23 LEU 34 17.771 12.037 -0.614 39 H GLU 35 HN GLU 35 12.842 12.619 -1.370 40 HA GLU 35 HA GLU 35 10.710 12.775 -0.564 41 1HB GLU 35 HB2 GLU 35 11.714 10.175 0.516 42 2HB GLU 35 HB3 GLU 35 10.094 10.730 0.915 43 1HG GLU 35 HG2 GLU 35 9.900 9.291 -0.946 44 2HG GLU 35 HG3 GLU 35 9.644 10.930 -1.531 45 H GLN 36 HN GLN 36 12.559 14.348 0.896 46 HA GLN 36 HA GLN 36 12.724 15.620 2.761 47 1HB GLN 36 HB2 GLN 36 9.985 14.493 3.383 48 2HB GLN 36 HB3 GLN 36 10.734 15.851 4.214 49 1HG GLN 36 HG2 GLN 36 10.734 17.137 2.161 50 2HG GLN 36 HG3 GLN 36 10.033 15.775 1.287 51 1HE2 GLN 36 HE21 GLN 36 7.886 15.227 1.642 52 2HE2 GLN 36 HE22 GLN 36 6.772 16.302 2.411 53 H LYS 37 HN LYS 37 10.930 14.096 5.112 54 HA LYS 37 HA LYS 37 13.296 12.722 6.156 55 1HB LYS 37 HB2 LYS 37 11.021 14.118 7.363 56 2HB LYS 37 HB3 LYS 37 11.366 12.572 8.127 57 1HG LYS 37 HG2 LYS 37 13.687 13.276 8.486 58 2HG LYS 37 HG3 LYS 37 13.320 14.834 7.742 59 1HD LYS 37 HD2 LYS 37 13.280 14.939 10.202 60 2HD LYS 37 HD3 LYS 37 11.713 15.326 9.490 61 1HE LYS 37 HE2 LYS 37 11.422 13.888 11.419 62 2HE LYS 37 HE3 LYS 37 10.952 13.035 9.950 63 1HZ LYS 37 HZ1 LYS 37 12.237 11.620 11.420 64 2HZ LYS 37 HZ2 LYS 37 13.530 12.717 11.406 65 3HZ LYS 37 HZ3 LYS 37 13.099 11.897 9.985 66 H LYS 38 HN LYS 38 10.766 12.018 4.298 67 HA LYS 38 HA LYS 38 10.059 9.451 5.441 68 1HB LYS 38 HB2 LYS 38 8.254 10.509 4.379 69 2HB LYS 38 HB3 LYS 38 9.239 11.049 3.032 70 1HG LYS 38 HG2 LYS 38 9.201 8.935 2.009 71 2HG LYS 38 HG3 LYS 38 8.631 8.145 3.482 72 1HD LYS 38 HD2 LYS 38 6.858 8.426 1.772 73 2HD LYS 38 HD3 LYS 38 6.481 9.221 3.298 74 1HE LYS 38 HE2 LYS 38 5.867 10.721 1.561 75 2HE LYS 38 HE3 LYS 38 7.345 11.351 2.285 76 1HZ LYS 38 HZ1 LYS 38 7.099 9.880 -0.279 77 2HZ LYS 38 HZ2 LYS 38 8.577 10.298 0.431 78 3HZ LYS 38 HZ3 LYS 38 7.505 11.510 -0.076 79 H ALA 39 HN ALA 39 10.500 7.445 4.349 80 HA ALA 39 HA ALA 39 13.122 7.367 3.191 81 1HB ALA 39 HB1 ALA 39 11.078 5.159 3.449 82 2HB ALA 39 HB2 ALA 39 12.784 4.956 3.055 83 3HB ALA 39 HB3 ALA 39 12.311 5.554 4.646 84 H ASN 40 HN ASN 40 13.457 6.137 1.111 85 HA ASN 40 HA ASN 40 12.430 7.429 -1.077 86 1HB ASN 40 HB2 ASN 40 14.403 5.898 -1.066 87 2HB ASN 40 HB3 ASN 40 13.285 4.543 -0.989 88 1HD2 ASN 40 HD21 ASN 40 12.710 7.441 -2.871 89 2HD2 ASN 40 HD22 ASN 40 12.877 6.686 -4.421 90 H ILE 41 HN ILE 41 10.467 7.527 -1.901 91 HA ILE 41 HA ILE 41 8.449 5.663 -0.983 92 HB ILE 41 HB ILE 41 8.095 8.158 -1.135 93 1HG1 ILE 41 HG12 ILE 41 5.779 7.856 -2.274 94 2HG1 ILE 41 HG13 ILE 41 6.239 6.154 -2.353 95 1HG2 ILE 41 HG21 ILE 41 9.086 8.649 -3.247 96 2HG2 ILE 41 HG22 ILE 41 7.970 7.566 -4.077 97 3HG2 ILE 41 HG23 ILE 41 7.367 9.042 -3.325 98 1HD1 ILE 41 HD11 ILE 41 6.120 7.837 0.135 99 2HD1 ILE 41 HD12 ILE 41 4.918 6.643 -0.367 100 3HD1 ILE 41 HD13 ILE 41 6.551 6.126 0.057 101 H TYR 42 HN TYR 42 7.352 4.171 -2.266 102 HA TYR 42 HA TYR 42 8.589 3.751 -4.898 103 1HB TYR 42 HB2 TYR 42 7.664 1.741 -2.851 104 2HB TYR 42 HB3 TYR 42 8.028 1.313 -4.521 105 HD1 TYR 42 HD1 TYR 42 9.388 2.069 -1.266 106 HD2 TYR 42 HD2 TYR 42 10.358 1.643 -5.383 107 HE1 TYR 42 HE1 TYR 42 11.762 1.836 -0.674 108 HE2 TYR 42 HE2 TYR 42 12.735 1.409 -4.805 109 HH TYR 42 HH TYR 42 13.799 0.962 -1.566 110 H LYS 43 HN LYS 43 7.321 4.072 -6.492 111 HA LYS 43 HA LYS 43 4.436 4.016 -6.167 112 1HB LYS 43 HB2 LYS 43 6.327 4.956 -8.306 113 2HB LYS 43 HB3 LYS 43 4.614 4.772 -8.648 114 1HG LYS 43 HG2 LYS 43 5.669 6.448 -6.390 115 2HG LYS 43 HG3 LYS 43 5.387 7.077 -8.014 116 1HD LYS 43 HD2 LYS 43 3.258 5.647 -6.450 117 2HD LYS 43 HD3 LYS 43 3.513 7.389 -6.326 118 1HE LYS 43 HE2 LYS 43 2.970 5.912 -8.899 119 2HE LYS 43 HE3 LYS 43 1.744 6.750 -7.950 120 1HZ LYS 43 HZ1 LYS 43 4.125 8.006 -9.216 121 2HZ LYS 43 HZ2 LYS 43 2.980 8.818 -8.264 122 3HZ LYS 43 HZ3 LYS 43 2.522 8.141 -9.749 123 H GLY 44 HN GLY 44 3.643 2.055 -6.178 124 1HA GLY 44 HA1 GLY 44 4.280 0.318 -8.463 125 2HA GLY 44 HA2 GLY 44 4.451 -0.331 -6.833 126 H LYS 45 HN LYS 45 2.689 -1.502 -8.625 127 HA LYS 45 HA LYS 45 0.111 -0.561 -7.567 128 1HB LYS 45 HB2 LYS 45 0.504 -2.022 -10.170 129 2HB LYS 45 HB3 LYS 45 -0.994 -1.336 -9.549 130 1HG LYS 45 HG2 LYS 45 -0.498 0.429 -10.827 131 2HG LYS 45 HG3 LYS 45 0.673 0.837 -9.572 132 1HD LYS 45 HD2 LYS 45 1.742 0.909 -11.740 133 2HD LYS 45 HD3 LYS 45 2.389 -0.446 -10.807 134 1HE LYS 45 HE2 LYS 45 1.012 -2.002 -12.009 135 2HE LYS 45 HE3 LYS 45 0.171 -0.685 -12.828 136 1HZ LYS 45 HZ1 LYS 45 3.095 -1.026 -13.117 137 2HZ LYS 45 HZ2 LYS 45 2.001 -0.235 -14.147 138 3HZ LYS 45 HZ3 LYS 45 2.013 -1.928 -14.069 139 H ILE 46 HN ILE 46 -1.530 -2.140 -7.379 140 HA ILE 46 HA ILE 46 -0.743 -4.403 -5.911 141 HB ILE 46 HB ILE 46 -3.317 -3.334 -6.982 142 1HG1 ILE 46 HG12 ILE 46 -3.928 -3.501 -4.569 143 2HG1 ILE 46 HG13 ILE 46 -2.318 -4.133 -4.244 144 1HG2 ILE 46 HG21 ILE 46 -3.484 -5.711 -7.447 145 2HG2 ILE 46 HG22 ILE 46 -3.030 -6.082 -5.783 146 3HG2 ILE 46 HG23 ILE 46 -4.549 -5.252 -6.118 147 1HD1 ILE 46 HD11 ILE 46 -2.464 -1.773 -3.691 148 2HD1 ILE 46 HD12 ILE 46 -1.343 -2.027 -5.029 149 3HD1 ILE 46 HD13 ILE 46 -2.963 -1.402 -5.341 150 H THR 47 HN THR 47 -0.662 -6.577 -6.426 151 HA THR 47 HA THR 47 -1.326 -7.319 -9.207 152 HB THR 47 HB THR 47 0.478 -8.960 -9.164 153 HG1 THR 47 HG1 THR 47 1.050 -9.505 -7.171 154 1HG2 THR 47 HG21 THR 47 2.314 -7.389 -9.299 155 2HG2 THR 47 HG22 THR 47 1.384 -6.201 -8.378 156 3HG2 THR 47 HG23 THR 47 0.857 -6.680 -9.992 157 H ARG 48 HN ARG 48 -1.312 -8.220 -5.824 158 HA ARG 48 HA ARG 48 -3.250 -10.321 -6.431 159 1HB ARG 48 HB2 ARG 48 -1.079 -11.420 -6.208 160 2HB ARG 48 HB3 ARG 48 -0.861 -10.693 -4.624 161 1HG ARG 48 HG2 ARG 48 -3.111 -11.859 -4.057 162 2HG ARG 48 HG3 ARG 48 -2.743 -12.860 -5.460 163 1HD ARG 48 HD2 ARG 48 -0.863 -12.443 -3.146 164 2HD ARG 48 HD3 ARG 48 -1.996 -13.796 -3.261 165 HE ARG 48 HE ARG 48 -0.154 -13.438 -5.493 166 1HH1 ARG 48 HH1 ARG 48 -0.946 -15.140 -2.541 167 2HH1 ARG 48 HH1 ARG 48 0.224 -16.399 -2.797 168 1HH2 ARG 48 HH2 ARG 48 1.380 -15.087 -5.847 169 2HH2 ARG 48 HH2 ARG 48 1.552 -16.371 -4.680 170 H ILE 49 HN ILE 49 -4.956 -10.130 -5.213 171 HA ILE 49 HA ILE 49 -4.651 -9.068 -2.492 172 HB ILE 49 HB ILE 49 -6.776 -8.249 -4.480 173 1HG1 ILE 49 HG12 ILE 49 -4.789 -6.547 -3.007 174 2HG1 ILE 49 HG13 ILE 49 -4.477 -7.183 -4.617 175 1HG2 ILE 49 HG21 ILE 49 -7.690 -6.859 -2.703 176 2HG2 ILE 49 HG22 ILE 49 -7.715 -8.558 -2.231 177 3HG2 ILE 49 HG23 ILE 49 -6.481 -7.478 -1.579 178 1HD1 ILE 49 HD11 ILE 49 -6.538 -6.037 -5.376 179 2HD1 ILE 49 HD12 ILE 49 -6.639 -5.277 -3.785 180 3HD1 ILE 49 HD13 ILE 49 -5.248 -4.961 -4.832 181 H GLU 50 HN GLU 50 -5.404 -10.470 -1.098 182 HA GLU 50 HA GLU 50 -7.404 -12.411 -2.034 183 1HB GLU 50 HB2 GLU 50 -5.204 -13.390 -1.470 184 2HB GLU 50 HB3 GLU 50 -5.337 -12.733 0.151 185 1HG GLU 50 HG2 GLU 50 -5.869 -15.157 -0.057 186 2HG GLU 50 HG3 GLU 50 -7.130 -14.178 0.693 187 HA PRO 51 HA PRO 51 -10.131 -10.102 0.691 188 1HB PRO 51 HB2 PRO 51 -11.754 -12.529 0.081 189 2HB PRO 51 HB3 PRO 51 -12.203 -10.824 -0.021 190 1HG PRO 51 HG2 PRO 51 -11.695 -12.220 -2.223 191 2HG PRO 51 HG3 PRO 51 -11.163 -10.534 -2.072 192 1HD PRO 51 HD2 PRO 51 -9.575 -13.052 -1.860 193 2HD PRO 51 HD3 PRO 51 -9.118 -11.481 -2.545 194 H SER 52 HN SER 52 -9.119 -13.423 0.897 195 HA SER 52 HA SER 52 -10.311 -13.994 3.411 196 1HB SER 52 HB2 SER 52 -7.999 -15.421 2.094 197 2HB SER 52 HB3 SER 52 -9.122 -16.075 3.289 198 HG SER 52 HG SER 52 -9.508 -15.557 0.557 199 H LEU 53 HN LEU 53 -7.396 -12.349 2.493 200 HA LEU 53 HA LEU 53 -6.468 -12.626 5.265 201 1HB LEU 53 HB2 LEU 53 -4.121 -12.419 4.357 202 2HB LEU 53 HB3 LEU 53 -4.953 -13.937 4.107 203 HG LEU 53 HG LEU 53 -5.435 -13.217 1.756 204 1HD1 LEU 53 HD11 LEU 53 -5.279 -10.822 2.000 205 2HD1 LEU 53 HD12 LEU 53 -3.576 -10.951 2.450 206 3HD1 LEU 53 HD13 LEU 53 -4.094 -11.388 0.820 207 1HD2 LEU 53 HD21 LEU 53 -2.541 -13.326 2.566 208 2HD2 LEU 53 HD22 LEU 53 -3.604 -14.708 2.300 209 3HD2 LEU 53 HD23 LEU 53 -3.186 -13.646 0.956 210 H GLU 54 HN GLU 54 -7.760 -10.478 3.303 211 HA GLU 54 HA GLU 54 -7.930 -8.246 3.191 212 1HB GLU 54 HB2 GLU 54 -7.857 -7.035 5.301 213 2HB GLU 54 HB3 GLU 54 -8.674 -8.577 5.488 214 1HG GLU 54 HG2 GLU 54 -6.979 -9.470 6.772 215 2HG GLU 54 HG3 GLU 54 -5.774 -8.344 6.154 216 H ALA 55 HN ALA 55 -5.647 -8.835 1.895 217 HA ALA 55 HA ALA 55 -4.121 -6.463 2.357 218 1HB ALA 55 HB1 ALA 55 -1.970 -7.512 2.779 219 2HB ALA 55 HB2 ALA 55 -3.131 -7.898 4.049 220 3HB ALA 55 HB3 ALA 55 -2.744 -9.097 2.815 221 H ALA 56 HN ALA 56 -2.295 -6.221 0.809 222 HA ALA 56 HA ALA 56 -2.877 -7.601 -1.733 223 1HB ALA 56 HB1 ALA 56 -2.759 -5.468 -2.901 224 2HB ALA 56 HB2 ALA 56 -4.040 -5.448 -1.690 225 3HB ALA 56 HB3 ALA 56 -2.513 -4.632 -1.368 226 H PHE 57 HN PHE 57 -1.158 -8.131 -2.932 227 HA PHE 57 HA PHE 57 1.506 -7.315 -2.078 228 1HB PHE 57 HB2 PHE 57 0.511 -9.257 -4.164 229 2HB PHE 57 HB3 PHE 57 2.205 -8.806 -4.044 230 HD1 PHE 57 HD1 PHE 57 3.443 -9.329 -1.922 231 HD2 PHE 57 HD2 PHE 57 -0.422 -10.888 -2.765 232 HE1 PHE 57 HE1 PHE 57 3.775 -11.063 -0.209 233 HE2 PHE 57 HE2 PHE 57 -0.097 -12.629 -1.060 234 HZ PHE 57 HZ PHE 57 2.042 -12.775 0.155 235 H VAL 58 HN VAL 58 2.765 -5.901 -3.147 236 HA VAL 58 HA VAL 58 1.622 -4.592 -5.533 237 HB VAL 58 HB VAL 58 3.048 -3.461 -3.164 238 1HG1 VAL 58 HG11 VAL 58 4.584 -2.910 -5.004 239 2HG1 VAL 58 HG12 VAL 58 3.243 -2.192 -5.896 240 3HG1 VAL 58 HG13 VAL 58 3.771 -1.480 -4.372 241 1HG2 VAL 58 HG21 VAL 58 0.664 -3.140 -3.390 242 2HG2 VAL 58 HG22 VAL 58 1.490 -1.592 -3.590 243 3HG2 VAL 58 HG23 VAL 58 0.880 -2.456 -5.001 244 H ASP 59 HN ASP 59 2.831 -4.299 -7.315 245 HA ASP 59 HA ASP 59 5.428 -5.677 -7.405 246 1HB ASP 59 HB2 ASP 59 3.637 -6.450 -8.967 247 2HB ASP 59 HB3 ASP 59 3.627 -4.845 -9.687 248 H TYR 60 HN TYR 60 6.926 -4.138 -6.854 249 HA TYR 60 HA TYR 60 7.162 -1.940 -8.789 250 1HB TYR 60 HB2 TYR 60 8.163 -0.524 -7.031 251 2HB TYR 60 HB3 TYR 60 6.524 -0.996 -6.605 252 HD1 TYR 60 HD1 TYR 60 6.369 -3.160 -5.062 253 HD2 TYR 60 HD2 TYR 60 9.817 -0.696 -5.446 254 HE1 TYR 60 HE1 TYR 60 7.201 -3.992 -2.902 255 HE2 TYR 60 HE2 TYR 60 10.659 -1.526 -3.296 256 HH TYR 60 HH TYR 60 9.437 -4.238 -1.771 257 H GLY 61 HN GLY 61 8.337 -3.780 -9.857 258 1HA GLY 61 HA1 GLY 61 10.193 -5.079 -10.305 259 2HA GLY 61 HA2 GLY 61 11.067 -3.614 -9.879 260 H ALA 62 HN ALA 62 9.144 -5.854 -7.900 261 HA ALA 62 HA ALA 62 11.311 -5.745 -5.921 262 1HB ALA 62 HB1 ALA 62 9.139 -4.909 -5.170 263 2HB ALA 62 HB2 ALA 62 8.398 -6.460 -5.563 264 3HB ALA 62 HB3 ALA 62 9.601 -6.358 -4.277 265 H GLU 63 HN GLU 63 11.723 -7.655 -4.647 266 HA GLU 63 HA GLU 63 11.776 -10.050 -6.301 267 1HB GLU 63 HB2 GLU 63 13.791 -9.306 -5.075 268 2HB GLU 63 HB3 GLU 63 12.925 -9.486 -3.556 269 1HG GLU 63 HG2 GLU 63 12.667 -11.910 -4.088 270 2HG GLU 63 HG3 GLU 63 13.734 -11.655 -5.472 271 H ARG 64 HN ARG 64 10.605 -8.932 -3.178 272 HA ARG 64 HA ARG 64 8.684 -11.165 -3.126 273 1HB ARG 64 HB2 ARG 64 9.956 -9.892 -0.695 274 2HB ARG 64 HB3 ARG 64 8.987 -11.362 -0.754 275 1HG ARG 64 HG2 ARG 64 10.708 -12.551 -1.878 276 2HG ARG 64 HG3 ARG 64 11.635 -11.078 -2.144 277 1HD ARG 64 HD2 ARG 64 11.664 -10.913 0.432 278 2HD ARG 64 HD3 ARG 64 11.221 -12.620 0.381 279 HE ARG 64 HE ARG 64 13.498 -11.947 -1.261 280 1HH1 ARG 64 HH1 ARG 64 12.399 -13.094 1.855 281 2HH1 ARG 64 HH1 ARG 64 13.991 -13.563 2.379 282 1HH2 ARG 64 HH2 ARG 64 15.565 -12.594 -0.605 283 2HH2 ARG 64 HH2 ARG 64 15.792 -13.303 0.968 284 H HIS 65 HN HIS 65 6.979 -10.083 -3.880 285 HA HIS 65 HA HIS 65 6.444 -7.479 -4.065 286 1HB HIS 65 HB2 HIS 65 4.602 -9.805 -3.748 287 2HB HIS 65 HB3 HIS 65 3.929 -8.179 -3.791 288 HD1 HIS 65 HD1 HIS 65 2.804 -9.100 -6.046 289 HD2 HIS 65 HD2 HIS 65 6.912 -8.486 -6.157 290 HE1 HIS 65 HE1 HIS 65 3.395 -8.943 -8.465 291 HE2 HIS 65 HE2 HIS 65 5.898 -8.691 -8.531 292 H GLY 66 HN GLY 66 5.896 -5.783 -2.945 293 1HA GLY 66 HA1 GLY 66 5.940 -5.741 -0.130 294 2HA GLY 66 HA2 GLY 66 5.414 -4.422 -1.167 295 H PHE 67 HN PHE 67 4.441 -6.318 1.264 296 HA PHE 67 HA PHE 67 1.736 -6.774 0.216 297 1HB PHE 67 HB2 PHE 67 3.226 -8.643 1.128 298 2HB PHE 67 HB3 PHE 67 2.930 -7.944 2.708 299 HD1 PHE 67 HD1 PHE 67 0.633 -8.455 -0.174 300 HD2 PHE 67 HD2 PHE 67 1.609 -9.458 3.840 301 HE1 PHE 67 HE1 PHE 67 -1.462 -9.732 0.014 302 HE2 PHE 67 HE2 PHE 67 -0.477 -10.740 4.036 303 HZ PHE 67 HZ PHE 67 -1.976 -10.963 2.046 304 H LEU 68 HN LEU 68 0.714 -4.873 0.570 305 HA LEU 68 HA LEU 68 0.793 -3.524 3.131 306 1HB LEU 68 HB2 LEU 68 0.215 -2.795 0.495 307 2HB LEU 68 HB3 LEU 68 -1.318 -2.688 1.329 308 HG LEU 68 HG LEU 68 1.198 -1.238 2.117 309 1HD1 LEU 68 HD11 LEU 68 0.237 -0.365 0.073 310 2HD1 LEU 68 HD12 LEU 68 -1.352 -0.275 0.835 311 3HD1 LEU 68 HD13 LEU 68 -0.039 0.754 1.408 312 1HD2 LEU 68 HD21 LEU 68 -0.260 -0.054 3.684 313 2HD2 LEU 68 HD22 LEU 68 -1.590 -1.128 3.249 314 3HD2 LEU 68 HD23 LEU 68 -0.158 -1.775 4.051 315 HA PRO 69 HA PRO 69 -2.798 -5.826 4.707 316 1HB PRO 69 HB2 PRO 69 -2.456 -3.976 6.971 317 2HB PRO 69 HB3 PRO 69 -2.431 -5.741 6.955 318 1HG PRO 69 HG2 PRO 69 -0.188 -4.325 7.346 319 2HG PRO 69 HG3 PRO 69 -0.176 -5.834 6.412 320 1HD PRO 69 HD2 PRO 69 -0.191 -3.000 5.424 321 2HD PRO 69 HD3 PRO 69 0.787 -4.378 4.870 322 H LEU 70 HN LEU 70 -4.923 -5.348 4.748 323 HA LEU 70 HA LEU 70 -5.885 -3.033 3.509 324 1HB LEU 70 HB2 LEU 70 -7.225 -4.900 3.276 325 2HB LEU 70 HB3 LEU 70 -7.132 -5.315 4.972 326 HG LEU 70 HG LEU 70 -8.613 -3.384 5.485 327 1HD1 LEU 70 HD11 LEU 70 -9.836 -2.324 3.662 328 2HD1 LEU 70 HD12 LEU 70 -8.105 -2.011 3.547 329 3HD1 LEU 70 HD13 LEU 70 -8.856 -3.205 2.488 330 1HD2 LEU 70 HD21 LEU 70 -9.704 -5.391 3.521 331 2HD2 LEU 70 HD22 LEU 70 -9.511 -5.633 5.257 332 3HD2 LEU 70 HD23 LEU 70 -10.655 -4.432 4.657 333 H LYS 71 HN LYS 71 -5.723 -3.883 6.937 334 HA LYS 71 HA LYS 71 -7.300 -1.745 7.860 335 1HB LYS 71 HB2 LYS 71 -5.888 -2.153 10.026 336 2HB LYS 71 HB3 LYS 71 -7.021 -3.374 9.469 337 1HG LYS 71 HG2 LYS 71 -5.247 -4.680 8.537 338 2HG LYS 71 HG3 LYS 71 -4.073 -3.405 8.869 339 1HD LYS 71 HD2 LYS 71 -4.220 -3.740 11.203 340 2HD LYS 71 HD3 LYS 71 -5.681 -4.715 11.046 341 1HE LYS 71 HE2 LYS 71 -3.003 -5.524 9.930 342 2HE LYS 71 HE3 LYS 71 -3.588 -6.011 11.521 343 1HZ LYS 71 HZ1 LYS 71 -4.014 -7.696 9.808 344 2HZ LYS 71 HZ2 LYS 71 -4.980 -6.588 8.954 345 3HZ LYS 71 HZ3 LYS 71 -5.450 -7.112 10.494 346 H GLU 72 HN GLU 72 -4.212 -1.723 6.484 347 HA GLU 72 HA GLU 72 -3.422 0.757 7.816 348 1HB GLU 72 HB2 GLU 72 -1.913 -0.694 5.644 349 2HB GLU 72 HB3 GLU 72 -1.286 0.468 6.808 350 1HG GLU 72 HG2 GLU 72 -2.275 -2.298 7.448 351 2HG GLU 72 HG3 GLU 72 -0.588 -1.815 7.303 352 H ILE 73 HN ILE 73 -5.179 -0.250 5.155 353 HA ILE 73 HA ILE 73 -4.201 1.275 3.034 354 HB ILE 73 HB ILE 73 -6.818 -0.038 3.605 355 1HG1 ILE 73 HG12 ILE 73 -4.697 -0.338 1.469 356 2HG1 ILE 73 HG13 ILE 73 -5.007 -1.426 2.819 357 1HG2 ILE 73 HG21 ILE 73 -7.598 0.617 1.315 358 2HG2 ILE 73 HG22 ILE 73 -7.606 1.915 2.508 359 3HG2 ILE 73 HG23 ILE 73 -6.324 1.835 1.304 360 1HD1 ILE 73 HD11 ILE 73 -5.852 -2.313 0.719 361 2HD1 ILE 73 HD12 ILE 73 -7.161 -2.011 1.860 362 3HD1 ILE 73 HD13 ILE 73 -6.879 -0.892 0.528 363 H ALA 74 HN ALA 74 -4.543 3.228 2.251 364 HA ALA 74 HA ALA 74 -5.971 5.165 3.925 365 1HB ALA 74 HB1 ALA 74 -3.932 5.607 1.736 366 2HB ALA 74 HB2 ALA 74 -4.640 6.856 2.760 367 3HB ALA 74 HB3 ALA 74 -3.600 5.620 3.469 368 H ARG 75 HN ARG 75 -7.350 6.693 2.976 369 HA ARG 75 HA ARG 75 -9.216 5.814 1.137 370 1HB ARG 75 HB2 ARG 75 -9.483 7.665 2.802 371 2HB ARG 75 HB3 ARG 75 -8.578 8.707 1.713 372 1HG ARG 75 HG2 ARG 75 -10.312 8.265 -0.025 373 2HG ARG 75 HG3 ARG 75 -11.242 7.403 1.201 374 1HD ARG 75 HD2 ARG 75 -10.371 10.280 1.414 375 2HD ARG 75 HD3 ARG 75 -11.957 9.748 0.860 376 HE ARG 75 HE ARG 75 -12.278 8.791 3.101 377 1HH1 ARG 75 HH1 ARG 75 -9.765 11.206 2.721 378 2HH1 ARG 75 HH1 ARG 75 -9.897 11.787 4.353 379 1HH2 ARG 75 HH2 ARG 75 -12.469 9.558 5.236 380 2HH2 ARG 75 HH2 ARG 75 -11.405 10.820 5.798 381 H GLU 76 HN GLU 76 -6.082 7.071 0.404 382 HA GLU 76 HA GLU 76 -6.575 8.153 -2.150 383 1HB GLU 76 HB2 GLU 76 -4.379 8.093 -0.766 384 2HB GLU 76 HB3 GLU 76 -4.114 6.537 -1.546 385 1HG GLU 76 HG2 GLU 76 -2.955 8.139 -2.837 386 2HG GLU 76 HG3 GLU 76 -4.406 7.715 -3.745 387 H TYR 77 HN TYR 77 -6.802 4.964 -1.005 388 HA TYR 77 HA TYR 77 -6.347 3.720 -3.614 389 1HB TYR 77 HB2 TYR 77 -7.028 2.413 -0.971 390 2HB TYR 77 HB3 TYR 77 -6.461 1.605 -2.425 391 HD1 TYR 77 HD1 TYR 77 -4.481 4.199 -2.748 392 HD2 TYR 77 HD2 TYR 77 -5.111 1.153 0.146 393 HE1 TYR 77 HE1 TYR 77 -2.151 4.430 -2.008 394 HE2 TYR 77 HE2 TYR 77 -2.782 1.372 0.894 395 HH TYR 77 HH TYR 77 -0.643 2.179 0.069 396 H PHE 78 HN PHE 78 -8.873 3.963 -1.131 397 HA PHE 78 HA PHE 78 -10.874 3.424 -3.196 398 1HB PHE 78 HB2 PHE 78 -12.520 3.508 -1.282 399 2HB PHE 78 HB3 PHE 78 -11.378 2.173 -1.213 400 HD1 PHE 78 HD1 PHE 78 -9.280 2.579 0.307 401 HD2 PHE 78 HD2 PHE 78 -12.900 4.795 0.565 402 HE1 PHE 78 HE1 PHE 78 -8.733 3.196 2.622 403 HE2 PHE 78 HE2 PHE 78 -12.355 5.424 2.877 404 HZ PHE 78 HZ PHE 78 -10.269 4.621 3.909 405 HA PRO 79 HA PRO 79 -9.921 7.616 -4.065 406 1HB PRO 79 HB2 PRO 79 -12.400 8.099 -5.358 407 2HB PRO 79 HB3 PRO 79 -10.865 7.658 -6.108 408 1HG PRO 79 HG2 PRO 79 -13.151 5.940 -5.307 409 2HG PRO 79 HG3 PRO 79 -12.058 5.773 -6.696 410 1HD PRO 79 HD2 PRO 79 -11.795 4.157 -4.612 411 2HD PRO 79 HD3 PRO 79 -10.340 4.861 -5.360 412 H ALA 80 HN ALA 80 -10.194 9.523 -3.180 413 HA ALA 80 HA ALA 80 -11.541 9.831 -0.785 414 1HB ALA 80 HB1 ALA 80 -10.625 11.998 -2.652 415 2HB ALA 80 HB2 ALA 80 -10.932 12.163 -0.921 416 3HB ALA 80 HB3 ALA 80 -9.613 11.138 -1.491 417 H ASN 81 HN ASN 81 -12.915 9.981 -3.883 418 HA ASN 81 HA ASN 81 -15.086 11.764 -3.211 419 1HB ASN 81 HB2 ASN 81 -14.274 11.601 -5.528 420 2HB ASN 81 HB3 ASN 81 -14.686 9.892 -5.563 421 1HD2 ASN 81 HD21 ASN 81 -16.840 9.278 -5.769 422 2HD2 ASN 81 HD22 ASN 81 -18.074 10.397 -6.227 423 H TYR 82 HN TYR 82 -14.315 8.460 -2.848 424 HA TYR 82 HA TYR 82 -17.008 7.456 -2.841 425 1HB TYR 82 HB2 TYR 82 -15.103 6.047 -3.530 426 2HB TYR 82 HB3 TYR 82 -14.430 6.163 -1.905 427 HD1 TYR 82 HD1 TYR 82 -17.621 5.188 -3.591 428 HD2 TYR 82 HD2 TYR 82 -14.850 4.409 -0.454 429 HE1 TYR 82 HE1 TYR 82 -18.940 3.229 -2.920 430 HE2 TYR 82 HE2 TYR 82 -16.166 2.445 0.224 431 HH TYR 82 HH TYR 82 -18.433 1.594 0.034 432 H SER 83 HN SER 83 -18.190 6.776 -1.079 433 HA SER 83 HA SER 83 -17.753 8.273 1.339 434 1HB SER 83 HB2 SER 83 -19.956 6.950 1.915 435 2HB SER 83 HB3 SER 83 -19.985 8.273 0.744 436 HG SER 83 HG SER 83 -20.795 5.851 0.314 437 H ALA 84 HN ALA 84 -16.253 7.500 2.684 438 HA ALA 84 HA ALA 84 -16.057 4.634 3.232 439 1HB ALA 84 HB1 ALA 84 -13.995 5.933 2.934 440 2HB ALA 84 HB2 ALA 84 -14.443 6.954 4.299 441 3HB ALA 84 HB3 ALA 84 -14.096 5.244 4.555 442 H HIS 85 HN HIS 85 -16.741 3.697 5.110 443 HA HIS 85 HA HIS 85 -18.362 5.375 6.888 444 1HB HIS 85 HB2 HIS 85 -19.289 3.255 5.836 445 2HB HIS 85 HB3 HIS 85 -18.185 2.356 6.872 446 HD1 HIS 85 HD1 HIS 85 -21.459 3.975 6.814 447 HD2 HIS 85 HD2 HIS 85 -18.779 2.650 9.704 448 HE1 HIS 85 HE1 HIS 85 -22.766 3.881 8.959 449 HE2 HIS 85 HE2 HIS 85 -21.064 3.319 10.729 450 H GLY 86 HN GLY 86 -15.716 3.060 6.921 451 1HA GLY 86 HA1 GLY 86 -14.507 4.324 9.189 452 2HA GLY 86 HA2 GLY 86 -15.207 2.762 9.597 453 H ARG 87 HN ARG 87 -14.361 0.879 8.685 454 HA ARG 87 HA ARG 87 -11.631 1.184 7.668 455 1HB ARG 87 HB2 ARG 87 -13.126 -1.125 8.885 456 2HB ARG 87 HB3 ARG 87 -11.596 -1.355 8.050 457 1HG ARG 87 HG2 ARG 87 -10.541 0.236 9.618 458 2HG ARG 87 HG3 ARG 87 -12.076 0.353 10.482 459 1HD ARG 87 HD2 ARG 87 -10.676 -2.263 10.016 460 2HD ARG 87 HD3 ARG 87 -10.344 -1.255 11.423 461 HE ARG 87 HE ARG 87 -12.510 -1.703 12.235 462 1HH1 ARG 87 HH1 ARG 87 -11.896 -3.337 9.190 463 2HH1 ARG 87 HH1 ARG 87 -13.190 -4.474 9.401 464 1HH2 ARG 87 HH2 ARG 87 -14.175 -3.205 12.534 465 2HH2 ARG 87 HH2 ARG 87 -14.495 -4.409 11.313 466 HA PRO 88 HA PRO 88 -12.950 0.385 3.495 467 1HB PRO 88 HB2 PRO 88 -10.410 -0.318 2.626 468 2HB PRO 88 HB3 PRO 88 -11.040 1.331 2.689 469 1HG PRO 88 HG2 PRO 88 -9.235 -0.098 4.575 470 2HG PRO 88 HG3 PRO 88 -9.239 1.612 4.095 471 1HD PRO 88 HD2 PRO 88 -10.194 0.767 6.475 472 2HD PRO 88 HD3 PRO 88 -10.875 2.162 5.616 473 H ASN 89 HN ASN 89 -12.895 -1.370 1.951 474 HA ASN 89 HA ASN 89 -12.213 -4.001 3.087 475 1HB ASN 89 HB2 ASN 89 -14.069 -4.820 1.457 476 2HB ASN 89 HB3 ASN 89 -14.533 -4.101 2.993 477 1HD2 ASN 89 HD21 ASN 89 -14.540 -3.733 -0.455 478 2HD2 ASN 89 HD22 ASN 89 -15.589 -2.357 -0.503 479 H ILE 90 HN ILE 90 -10.347 -4.519 2.168 480 HA ILE 90 HA ILE 90 -9.243 -3.147 0.031 481 HB ILE 90 HB ILE 90 -7.919 -4.312 1.737 482 1HG1 ILE 90 HG12 ILE 90 -7.190 -5.276 -1.027 483 2HG1 ILE 90 HG13 ILE 90 -6.995 -3.608 -0.496 484 1HG2 ILE 90 HG21 ILE 90 -8.672 -6.830 0.257 485 2HG2 ILE 90 HG22 ILE 90 -7.420 -6.714 1.494 486 3HG2 ILE 90 HG23 ILE 90 -9.108 -6.413 1.915 487 1HD1 ILE 90 HD11 ILE 90 -4.903 -4.721 -0.302 488 2HD1 ILE 90 HD12 ILE 90 -5.520 -4.428 1.321 489 3HD1 ILE 90 HD13 ILE 90 -5.628 -6.041 0.616 490 H LYS 91 HN LYS 91 -10.801 -6.309 -0.014 491 HA LYS 91 HA LYS 91 -10.143 -7.109 -2.567 492 1HB LYS 91 HB2 LYS 91 -12.376 -8.354 -2.466 493 2HB LYS 91 HB3 LYS 91 -11.175 -8.705 -1.234 494 1HG LYS 91 HG2 LYS 91 -12.391 -7.043 0.238 495 2HG LYS 91 HG3 LYS 91 -13.678 -7.071 -0.971 496 1HD LYS 91 HD2 LYS 91 -13.920 -9.479 -0.678 497 2HD LYS 91 HD3 LYS 91 -12.595 -9.480 0.493 498 1HE LYS 91 HE2 LYS 91 -13.892 -8.072 1.986 499 2HE LYS 91 HE3 LYS 91 -15.199 -7.980 0.805 500 1HZ LYS 91 HZ1 LYS 91 -14.253 -10.488 2.098 501 2HZ LYS 91 HZ2 LYS 91 -15.568 -10.338 1.039 502 3HZ LYS 91 HZ3 LYS 91 -15.624 -9.610 2.567 503 H ASP 92 HN ASP 92 -12.333 -4.542 -1.695 504 HA ASP 92 HA ASP 92 -12.946 -4.242 -4.562 505 1HB ASP 92 HB2 ASP 92 -14.960 -4.936 -3.230 506 2HB ASP 92 HB3 ASP 92 -14.807 -3.440 -2.316 507 H VAL 93 HN VAL 93 -10.898 -3.155 -2.611 508 HA VAL 93 HA VAL 93 -11.403 -0.284 -3.065 509 HB VAL 93 HB VAL 93 -9.759 -1.679 -0.947 510 1HG1 VAL 93 HG11 VAL 93 -8.386 0.123 -1.834 511 2HG1 VAL 93 HG12 VAL 93 -9.725 1.256 -1.647 512 3HG1 VAL 93 HG13 VAL 93 -8.976 0.532 -0.223 513 1HG2 VAL 93 HG21 VAL 93 -11.123 -0.332 0.579 514 2HG2 VAL 93 HG22 VAL 93 -11.968 0.372 -0.800 515 3HG2 VAL 93 HG23 VAL 93 -12.124 -1.352 -0.457 516 H LEU 94 HN LEU 94 -8.892 -2.763 -2.992 517 HA LEU 94 HA LEU 94 -7.346 -1.180 -4.907 518 1HB LEU 94 HB2 LEU 94 -6.577 -3.450 -3.085 519 2HB LEU 94 HB3 LEU 94 -5.529 -2.854 -4.356 520 HG LEU 94 HG LEU 94 -6.531 -1.198 -2.039 521 1HD1 LEU 94 HD11 LEU 94 -3.856 -2.500 -2.536 522 2HD1 LEU 94 HD12 LEU 94 -4.203 -1.346 -1.247 523 3HD1 LEU 94 HD13 LEU 94 -5.008 -2.914 -1.269 524 1HD2 LEU 94 HD21 LEU 94 -4.854 0.413 -2.807 525 2HD2 LEU 94 HD22 LEU 94 -4.488 -0.626 -4.184 526 3HD2 LEU 94 HD23 LEU 94 -6.080 0.116 -4.040 527 H ARG 95 HN ARG 95 -6.592 -2.108 -6.774 528 HA ARG 95 HA ARG 95 -7.346 -4.812 -7.481 529 1HB ARG 95 HB2 ARG 95 -8.163 -3.929 -9.759 530 2HB ARG 95 HB3 ARG 95 -9.259 -3.815 -8.393 531 1HG ARG 95 HG2 ARG 95 -7.536 -1.470 -8.995 532 2HG ARG 95 HG3 ARG 95 -8.898 -1.806 -10.066 533 1HD ARG 95 HD2 ARG 95 -9.005 -1.369 -7.078 534 2HD ARG 95 HD3 ARG 95 -9.592 -0.270 -8.327 535 HE ARG 95 HE ARG 95 -10.912 -2.653 -8.757 536 1HH1 ARG 95 HH1 ARG 95 -10.705 -0.329 -6.134 537 2HH1 ARG 95 HH1 ARG 95 -12.276 -0.720 -5.510 538 1HH2 ARG 95 HH2 ARG 95 -12.954 -3.156 -7.946 539 2HH2 ARG 95 HH2 ARG 95 -13.563 -2.340 -6.533 540 H GLU 96 HN GLU 96 -6.064 -5.676 -9.152 541 HA GLU 96 HA GLU 96 -3.410 -4.805 -9.096 542 1HB GLU 96 HB2 GLU 96 -4.485 -6.474 -11.362 543 2HB GLU 96 HB3 GLU 96 -2.884 -6.518 -10.624 544 1HG GLU 96 HG2 GLU 96 -3.817 -8.421 -9.775 545 2HG GLU 96 HG3 GLU 96 -4.201 -7.267 -8.500 546 H GLY 97 HN GLY 97 -2.374 -3.270 -10.118 547 1HA GLY 97 HA1 GLY 97 -1.882 -2.082 -12.178 548 2HA GLY 97 HA2 GLY 97 -3.601 -2.133 -12.547 549 H GLN 98 HN GLN 98 -4.042 -1.557 -9.555 550 HA GLN 98 HA GLN 98 -4.029 1.324 -9.823 551 1HB GLN 98 HB2 GLN 98 -5.847 -0.170 -8.673 552 2HB GLN 98 HB3 GLN 98 -4.765 -0.102 -7.289 553 1HG GLN 98 HG2 GLN 98 -4.892 2.283 -7.206 554 2HG GLN 98 HG3 GLN 98 -5.821 2.332 -8.705 555 1HE2 GLN 98 HE21 GLN 98 -6.299 0.034 -6.096 556 2HE2 GLN 98 HE22 GLN 98 -7.858 0.613 -5.616 557 H GLU 99 HN GLU 99 -2.436 2.572 -9.199 558 HA GLU 99 HA GLU 99 -0.124 1.501 -7.903 559 1HB GLU 99 HB2 GLU 99 0.732 3.825 -8.056 560 2HB GLU 99 HB3 GLU 99 0.162 3.195 -9.606 561 1HG GLU 99 HG2 GLU 99 -1.886 4.424 -9.406 562 2HG GLU 99 HG3 GLU 99 -1.452 4.937 -7.763 563 H VAL 100 HN VAL 100 0.782 2.172 -5.982 564 HA VAL 100 HA VAL 100 -0.873 3.832 -4.217 565 HB VAL 100 HB VAL 100 -0.150 2.517 -2.287 566 1HG1 VAL 100 HG11 VAL 100 -1.496 0.481 -2.718 567 2HG1 VAL 100 HG12 VAL 100 -2.283 1.976 -3.235 568 3HG1 VAL 100 HG13 VAL 100 -1.533 0.915 -4.429 569 1HG2 VAL 100 HG21 VAL 100 1.963 1.665 -3.220 570 2HG2 VAL 100 HG22 VAL 100 0.970 0.370 -2.543 571 3HG2 VAL 100 HG23 VAL 100 1.044 0.602 -4.291 572 H ILE 101 HN ILE 101 0.313 5.199 -2.840 573 HA ILE 101 HA ILE 101 3.136 5.534 -3.588 574 HB ILE 101 HB ILE 101 1.867 7.394 -1.641 575 1HG1 ILE 101 HG12 ILE 101 0.031 7.140 -3.256 576 2HG1 ILE 101 HG13 ILE 101 0.762 8.734 -3.379 577 1HG2 ILE 101 HG21 ILE 101 3.619 7.807 -4.052 578 2HG2 ILE 101 HG22 ILE 101 3.147 9.053 -2.898 579 3HG2 ILE 101 HG23 ILE 101 4.151 7.702 -2.375 580 1HD1 ILE 101 HD11 ILE 101 0.230 7.818 -5.556 581 2HD1 ILE 101 HD12 ILE 101 1.972 8.025 -5.365 582 3HD1 ILE 101 HD13 ILE 101 1.256 6.419 -5.229 583 H VAL 102 HN VAL 102 4.443 4.287 -2.304 584 HA VAL 102 HA VAL 102 3.914 4.243 0.565 585 HB VAL 102 HB VAL 102 4.244 1.721 0.569 586 1HG1 VAL 102 HG11 VAL 102 2.141 2.721 1.155 587 2HG1 VAL 102 HG12 VAL 102 1.720 2.929 -0.550 588 3HG1 VAL 102 HG13 VAL 102 1.839 1.309 0.136 589 1HG2 VAL 102 HG21 VAL 102 5.001 1.399 -1.687 590 2HG2 VAL 102 HG22 VAL 102 3.457 0.572 -1.491 591 3HG2 VAL 102 HG23 VAL 102 3.529 2.121 -2.331 592 H GLN 103 HN GLN 103 5.648 4.202 1.760 593 HA GLN 103 HA GLN 103 8.232 3.678 0.496 594 1HB GLN 103 HB2 GLN 103 9.165 4.676 2.610 595 2HB GLN 103 HB3 GLN 103 8.159 5.782 1.677 596 1HG GLN 103 HG2 GLN 103 6.346 5.543 3.187 597 2HG GLN 103 HG3 GLN 103 7.110 4.182 4.001 598 1HE2 GLN 103 HE21 GLN 103 6.119 6.747 5.043 599 2HE2 GLN 103 HE22 GLN 103 7.458 7.457 5.868 600 H ILE 104 HN ILE 104 9.460 1.936 1.089 601 HA ILE 104 HA ILE 104 8.126 -0.127 2.612 602 HB ILE 104 HB ILE 104 10.900 -0.206 1.400 603 1HG1 ILE 104 HG12 ILE 104 9.244 0.302 -0.316 604 2HG1 ILE 104 HG13 ILE 104 9.808 -1.356 -0.498 605 1HG2 ILE 104 HG21 ILE 104 9.018 -2.407 2.266 606 2HG2 ILE 104 HG22 ILE 104 10.552 -2.655 1.433 607 3HG2 ILE 104 HG23 ILE 104 10.532 -1.957 3.054 608 1HD1 ILE 104 HD11 ILE 104 7.412 -1.204 -0.830 609 2HD1 ILE 104 HD12 ILE 104 7.780 -2.163 0.602 610 3HD1 ILE 104 HD13 ILE 104 7.217 -0.500 0.775 611 H ASP 105 HN ASP 105 8.047 0.345 4.694 612 HA ASP 105 HA ASP 105 10.095 1.582 6.197 613 1HB ASP 105 HB2 ASP 105 7.900 1.753 7.053 614 2HB ASP 105 HB3 ASP 105 7.617 0.024 6.917 615 H LYS 106 HN LYS 106 9.477 -1.669 5.266 616 HA LYS 106 HA LYS 106 11.540 -2.596 7.119 617 1HB LYS 106 HB2 LYS 106 9.145 -4.038 6.004 618 2HB LYS 106 HB3 LYS 106 10.461 -4.859 6.848 619 1HG LYS 106 HG2 LYS 106 10.027 -3.639 8.851 620 2HG LYS 106 HG3 LYS 106 8.877 -2.589 8.027 621 1HD LYS 106 HD2 LYS 106 7.399 -4.508 7.663 622 2HD LYS 106 HD3 LYS 106 8.551 -5.548 8.509 623 1HE LYS 106 HE2 LYS 106 6.709 -4.839 9.971 624 2HE LYS 106 HE3 LYS 106 8.271 -4.251 10.540 625 1HZ LYS 106 HZ1 LYS 106 7.764 -2.090 9.516 626 2HZ LYS 106 HZ2 LYS 106 6.616 -2.518 10.691 627 3HZ LYS 106 HZ3 LYS 106 6.239 -2.675 9.047 628 H GLU 107 HN GLU 107 12.117 -5.033 6.071 629 HA GLU 107 HA GLU 107 13.147 -4.407 3.389 630 1HB GLU 107 HB2 GLU 107 14.629 -5.647 5.712 631 2HB GLU 107 HB3 GLU 107 15.242 -5.528 4.076 632 1HG GLU 107 HG2 GLU 107 14.394 -3.103 5.605 633 2HG GLU 107 HG3 GLU 107 16.014 -3.783 5.774 634 H GLU 108 HN GLU 108 13.291 -6.150 1.977 635 HA GLU 108 HA GLU 108 11.617 -8.372 2.458 636 1HB GLU 108 HB2 GLU 108 13.800 -8.187 0.373 637 2HB GLU 108 HB3 GLU 108 12.399 -9.247 0.361 638 1HG GLU 108 HG2 GLU 108 10.918 -7.380 0.132 639 2HG GLU 108 HG3 GLU 108 12.279 -6.259 0.217 640 H ARG 109 HN ARG 109 12.046 -9.744 4.010 641 HA ARG 109 HA ARG 109 14.829 -10.554 4.493 642 1HB ARG 109 HB2 ARG 109 13.859 -10.908 6.896 643 2HB ARG 109 HB3 ARG 109 14.295 -9.294 6.357 644 1HG ARG 109 HG2 ARG 109 11.899 -8.971 5.710 645 2HG ARG 109 HG3 ARG 109 11.544 -10.498 6.515 646 1HD ARG 109 HD2 ARG 109 12.858 -8.138 7.849 647 2HD ARG 109 HD3 ARG 109 11.128 -8.474 7.907 648 HE ARG 109 HE ARG 109 12.425 -10.773 8.759 649 1HH1 ARG 109 HH1 ARG 109 12.183 -7.434 9.799 650 2HH1 ARG 109 HH1 ARG 109 12.304 -7.828 11.486 651 1HH2 ARG 109 HH2 ARG 109 12.590 -11.284 10.971 652 2HH2 ARG 109 HH2 ARG 109 12.516 -10.010 12.158 653 H GLY 110 HN GLY 110 11.535 -11.699 5.299 654 1HA GLY 110 HA1 GLY 110 11.854 -14.155 3.940 655 2HA GLY 110 HA2 GLY 110 12.209 -14.367 5.647 656 H ASN 111 HN ASN 111 10.467 -13.187 7.077 657 HA ASN 111 HA ASN 111 8.152 -14.740 6.752 658 1HB ASN 111 HB2 ASN 111 8.669 -12.369 8.548 659 2HB ASN 111 HB3 ASN 111 7.241 -13.396 8.658 660 1HD2 ASN 111 HD21 ASN 111 9.300 -12.927 10.641 661 2HD2 ASN 111 HD22 ASN 111 10.003 -14.472 10.992 662 H LYS 112 HN LYS 112 8.641 -11.252 6.195 663 HA LYS 112 HA LYS 112 5.996 -11.245 4.921 664 1HB LYS 112 HB2 LYS 112 6.187 -9.839 6.991 665 2HB LYS 112 HB3 LYS 112 7.389 -8.866 6.156 666 1HG LYS 112 HG2 LYS 112 5.639 -8.419 4.398 667 2HG LYS 112 HG3 LYS 112 4.475 -9.174 5.487 668 1HD LYS 112 HD2 LYS 112 6.176 -6.761 6.114 669 2HD LYS 112 HD3 LYS 112 4.464 -6.731 5.699 670 1HE LYS 112 HE2 LYS 112 5.666 -8.089 8.108 671 2HE LYS 112 HE3 LYS 112 4.846 -6.531 8.118 672 1HZ LYS 112 HZ1 LYS 112 3.696 -9.214 7.660 673 2HZ LYS 112 HZ2 LYS 112 2.881 -7.815 7.159 674 3HZ LYS 112 HZ3 LYS 112 3.242 -8.043 8.802 675 H GLY 113 HN GLY 113 9.302 -10.175 4.753 676 1HA GLY 113 HA1 GLY 113 10.586 -9.672 2.899 677 2HA GLY 113 HA2 GLY 113 9.160 -9.910 1.892 678 H ALA 114 HN ALA 114 8.532 -8.145 0.922 679 HA ALA 114 HA ALA 114 9.517 -5.603 1.860 680 1HB ALA 114 HB1 ALA 114 8.627 -4.717 -0.227 681 2HB ALA 114 HB2 ALA 114 9.625 -6.145 -0.512 682 3HB ALA 114 HB3 ALA 114 7.866 -6.272 -0.571 683 H ALA 115 HN ALA 115 8.343 -4.164 3.002 684 HA ALA 115 HA ALA 115 5.462 -4.697 3.311 685 1HB ALA 115 HB1 ALA 115 7.403 -3.641 5.359 686 2HB ALA 115 HB2 ALA 115 5.654 -3.755 5.579 687 3HB ALA 115 HB3 ALA 115 6.611 -5.220 5.359 688 H LEU 116 HN LEU 116 4.142 -3.110 2.764 689 HA LEU 116 HA LEU 116 5.304 -0.558 1.991 690 1HB LEU 116 HB2 LEU 116 2.404 -1.287 1.737 691 2HB LEU 116 HB3 LEU 116 3.329 -0.116 0.812 692 HG LEU 116 HG LEU 116 3.674 -3.116 0.603 693 1HD1 LEU 116 HD11 LEU 116 2.238 -1.188 -1.208 694 2HD1 LEU 116 HD12 LEU 116 2.519 -2.899 -1.527 695 3HD1 LEU 116 HD13 LEU 116 1.481 -2.411 -0.188 696 1HD2 LEU 116 HD21 LEU 116 5.681 -1.995 -0.027 697 2HD2 LEU 116 HD22 LEU 116 4.853 -2.483 -1.503 698 3HD2 LEU 116 HD23 LEU 116 4.788 -0.802 -0.970 699 H THR 117 HN THR 117 5.169 1.189 3.189 700 HA THR 117 HA THR 117 3.491 1.257 5.563 701 HB THR 117 HB THR 117 5.834 2.731 4.499 702 HG1 THR 117 HG1 THR 117 5.267 1.161 6.546 703 1HG2 THR 117 HG21 THR 117 4.079 4.479 4.842 704 2HG2 THR 117 HG22 THR 117 5.556 4.674 5.796 705 3HG2 THR 117 HG23 THR 117 4.094 4.043 6.556 706 H THR 118 HN THR 118 1.774 2.785 5.841 707 HA THR 118 HA THR 118 0.954 4.152 3.366 708 HB THR 118 HB THR 118 -1.342 4.170 4.567 709 HG1 THR 118 HG1 THR 118 -1.596 2.477 6.042 710 1HG2 THR 118 HG21 THR 118 -0.917 2.930 2.540 711 2HG2 THR 118 HG22 THR 118 -1.846 1.927 3.656 712 3HG2 THR 118 HG23 THR 118 -0.115 1.653 3.452 713 H PHE 119 HN PHE 119 2.406 4.856 6.164 714 HA PHE 119 HA PHE 119 1.005 7.243 6.911 715 1HB PHE 119 HB2 PHE 119 3.766 6.249 7.654 716 2HB PHE 119 HB3 PHE 119 2.981 7.654 8.368 717 HD1 PHE 119 HD1 PHE 119 1.029 7.384 9.816 718 HD2 PHE 119 HD2 PHE 119 3.142 4.026 8.277 719 HE1 PHE 119 HE1 PHE 119 -0.060 5.939 11.485 720 HE2 PHE 119 HE2 PHE 119 2.055 2.576 9.936 721 HZ PHE 119 HZ PHE 119 0.453 3.531 11.545 722 H ILE 120 HN ILE 120 1.154 7.600 4.413 723 HA ILE 120 HA ILE 120 3.256 9.612 3.955 724 HB ILE 120 HB ILE 120 2.060 7.820 1.816 725 1HG1 ILE 120 HG12 ILE 120 4.782 7.277 1.963 726 2HG1 ILE 120 HG13 ILE 120 4.268 7.350 3.647 727 1HG2 ILE 120 HG21 ILE 120 3.934 8.653 0.434 728 2HG2 ILE 120 HG22 ILE 120 2.778 9.906 0.885 729 3HG2 ILE 120 HG23 ILE 120 4.328 9.794 1.720 730 1HD1 ILE 120 HD11 ILE 120 2.584 5.677 3.242 731 2HD1 ILE 120 HD12 ILE 120 2.982 5.660 1.524 732 3HD1 ILE 120 HD13 ILE 120 4.158 5.086 2.707 733 H SER 121 HN SER 121 2.378 11.108 2.038 734 HA SER 121 HA SER 121 -0.120 12.179 2.838 735 1HB SER 121 HB2 SER 121 1.769 13.490 1.821 736 2HB SER 121 HB3 SER 121 1.390 12.740 0.272 737 HG SER 121 HG SER 121 0.423 14.853 0.649 738 H LEU 122 HN LEU 122 -1.170 10.000 2.621 739 HA LEU 122 HA LEU 122 -2.362 9.652 -0.047 740 1HB LEU 122 HB2 LEU 122 -1.998 7.701 2.236 741 2HB LEU 122 HB3 LEU 122 -2.984 7.372 0.827 742 HG LEU 122 HG LEU 122 -0.109 8.071 0.416 743 1HD1 LEU 122 HD11 LEU 122 -1.123 5.359 1.273 744 2HD1 LEU 122 HD12 LEU 122 0.512 5.728 0.724 745 3HD1 LEU 122 HD13 LEU 122 -0.091 6.424 2.228 746 1HD2 LEU 122 HD21 LEU 122 -0.373 6.535 -1.466 747 2HD2 LEU 122 HD22 LEU 122 -2.010 6.143 -0.934 748 3HD2 LEU 122 HD23 LEU 122 -1.631 7.771 -1.495 749 H ALA 123 HN ALA 123 -4.657 8.785 0.169 750 HA ALA 123 HA ALA 123 -6.773 8.780 0.990 751 1HB ALA 123 HB1 ALA 123 -7.237 9.129 3.349 752 2HB ALA 123 HB2 ALA 123 -5.837 8.071 3.161 753 3HB ALA 123 HB3 ALA 123 -5.610 9.765 3.600 754 H GLY 124 HN GLY 124 -5.717 10.865 -0.485 755 1HA GLY 124 HA1 GLY 124 -7.211 12.809 -1.003 756 2HA GLY 124 HA2 GLY 124 -7.027 13.244 0.693 757 H SER 125 HN SER 125 -4.635 12.064 -1.623 758 HA SER 125 HA SER 125 -2.675 13.939 -0.830 759 1HB SER 125 HB2 SER 125 -2.400 11.642 -2.009 760 2HB SER 125 HB3 SER 125 -2.684 12.536 -3.500 761 HG SER 125 HG SER 125 -0.582 12.833 -1.628 Start of MODEL 10 1 1H GLY 30 H1 GLY 30 8.889 20.549 8.831 2 2H GLY 30 H2 GLY 30 7.462 20.325 9.719 3 3H GLY 30 H3 GLY 30 7.396 20.480 8.033 4 1HA GLY 30 HA2 GLY 30 8.753 18.263 9.458 5 2HA GLY 30 HA1 GLY 30 7.126 18.168 8.800 6 H SER 31 HN SER 31 8.403 16.303 7.740 7 HA SER 31 HA SER 31 9.225 17.307 5.102 8 1HB SER 31 HB2 SER 31 11.245 16.600 6.306 9 2HB SER 31 HB3 SER 31 10.519 15.023 6.616 10 HG SER 31 HG SER 31 11.611 16.061 4.274 11 H HIS 32 HN HIS 32 9.070 13.953 6.215 12 HA HIS 32 HA HIS 32 7.861 12.156 5.524 13 1HB HIS 32 HB2 HIS 32 5.670 14.131 4.852 14 2HB HIS 32 HB3 HIS 32 5.482 12.399 5.072 15 HD1 HIS 32 HD1 HIS 32 4.250 15.001 6.693 16 HD2 HIS 32 HD2 HIS 32 6.966 12.127 8.006 17 HE1 HIS 32 HE1 HIS 32 4.085 15.001 9.205 18 HE2 HIS 32 HE2 HIS 32 5.675 13.212 9.978 19 H MET 33 HN MET 33 9.157 14.231 3.465 20 HA MET 33 HA MET 33 8.261 12.805 1.076 21 1HB MET 33 HB2 MET 33 8.189 15.811 1.394 22 2HB MET 33 HB3 MET 33 8.090 14.995 -0.160 23 1HG MET 33 HG2 MET 33 6.031 13.900 0.531 24 2HG MET 33 HG3 MET 33 6.138 14.672 2.111 25 1HE MET 33 HE1 MET 33 7.176 17.579 1.349 26 2HE MET 33 HE2 MET 33 5.648 18.447 1.202 27 3HE MET 33 HE3 MET 33 5.878 17.281 2.504 28 H LEU 34 HN LEU 34 9.589 13.729 -0.880 29 HA LEU 34 HA LEU 34 11.600 13.813 -1.918 30 1HB LEU 34 HB2 LEU 34 12.251 15.460 0.515 31 2HB LEU 34 HB3 LEU 34 13.394 15.210 -0.786 32 HG LEU 34 HG LEU 34 12.443 17.328 -1.163 33 1HD1 LEU 34 HD11 LEU 34 12.623 15.906 -3.155 34 2HD1 LEU 34 HD12 LEU 34 10.937 15.435 -2.951 35 3HD1 LEU 34 HD13 LEU 34 11.347 17.117 -3.292 36 1HD2 LEU 34 HD21 LEU 34 10.039 17.759 -1.258 37 2HD2 LEU 34 HD22 LEU 34 9.722 16.085 -0.801 38 3HD2 LEU 34 HD23 LEU 34 10.536 17.167 0.328 39 H GLU 35 HN GLU 35 11.049 11.801 0.321 40 HA GLU 35 HA GLU 35 12.051 10.269 1.643 41 1HB GLU 35 HB2 GLU 35 13.446 8.713 0.400 42 2HB GLU 35 HB3 GLU 35 12.090 9.255 -0.573 43 1HG GLU 35 HG2 GLU 35 13.736 10.938 -1.578 44 2HG GLU 35 HG3 GLU 35 14.988 9.941 -0.841 45 H GLN 36 HN GLN 36 13.082 12.792 2.258 46 HA GLN 36 HA GLN 36 15.945 12.604 2.529 47 1HB GLN 36 HB2 GLN 36 14.027 14.505 3.904 48 2HB GLN 36 HB3 GLN 36 15.772 14.674 3.812 49 1HG GLN 36 HG2 GLN 36 14.007 14.628 1.387 50 2HG GLN 36 HG3 GLN 36 14.412 16.106 2.254 51 1HE2 GLN 36 HE21 GLN 36 15.424 16.965 0.471 52 2HE2 GLN 36 HE22 GLN 36 16.988 16.423 -0.059 53 H LYS 37 HN LYS 37 13.440 12.991 5.038 54 HA LYS 37 HA LYS 37 14.918 11.112 6.744 55 1HB LYS 37 HB2 LYS 37 14.207 13.437 7.583 56 2HB LYS 37 HB3 LYS 37 12.560 12.820 7.556 57 1HG LYS 37 HG2 LYS 37 13.177 11.080 9.144 58 2HG LYS 37 HG3 LYS 37 14.838 11.670 9.154 59 1HD LYS 37 HD2 LYS 37 13.947 13.876 9.948 60 2HD LYS 37 HD3 LYS 37 12.373 13.096 10.131 61 1HE LYS 37 HE2 LYS 37 13.512 13.112 12.260 62 2HE LYS 37 HE3 LYS 37 13.391 11.457 11.664 63 1HZ LYS 37 HZ1 LYS 37 15.801 13.191 11.484 64 2HZ LYS 37 HZ2 LYS 37 15.689 11.601 10.908 65 3HZ LYS 37 HZ3 LYS 37 15.581 11.910 12.569 66 H LYS 38 HN LYS 38 13.633 10.193 4.511 67 HA LYS 38 HA LYS 38 11.254 8.812 5.535 68 1HB LYS 38 HB2 LYS 38 10.560 10.655 4.091 69 2HB LYS 38 HB3 LYS 38 11.650 10.106 2.829 70 1HG LYS 38 HG2 LYS 38 10.338 8.044 2.605 71 2HG LYS 38 HG3 LYS 38 9.226 8.645 3.846 72 1HD LYS 38 HD2 LYS 38 9.039 10.725 2.297 73 2HD LYS 38 HD3 LYS 38 9.674 9.640 1.059 74 1HE LYS 38 HE2 LYS 38 7.282 9.601 0.940 75 2HE LYS 38 HE3 LYS 38 7.830 8.056 1.593 76 1HZ LYS 38 HZ1 LYS 38 5.964 8.859 2.852 77 2HZ LYS 38 HZ2 LYS 38 6.735 10.335 3.153 78 3HZ LYS 38 HZ3 LYS 38 7.343 8.905 3.831 79 H ALA 39 HN ALA 39 11.228 6.658 5.104 80 HA ALA 39 HA ALA 39 13.381 5.348 3.805 81 1HB ALA 39 HB1 ALA 39 11.929 3.351 3.882 82 2HB ALA 39 HB2 ALA 39 11.986 4.180 5.438 83 3HB ALA 39 HB3 ALA 39 10.582 4.367 4.391 84 H ASN 40 HN ASN 40 13.545 4.642 1.706 85 HA ASN 40 HA ASN 40 12.704 6.348 -0.254 86 1HB ASN 40 HB2 ASN 40 13.353 3.434 -0.640 87 2HB ASN 40 HB3 ASN 40 13.422 4.678 -1.881 88 1HD2 ASN 40 HD21 ASN 40 15.004 6.383 -1.621 89 2HD2 ASN 40 HD22 ASN 40 16.482 6.039 -0.777 90 H ILE 41 HN ILE 41 10.842 6.783 -1.088 91 HA ILE 41 HA ILE 41 8.567 5.086 -0.556 92 HB ILE 41 HB ILE 41 8.510 7.535 -0.167 93 1HG1 ILE 41 HG12 ILE 41 6.345 7.947 -1.499 94 2HG1 ILE 41 HG13 ILE 41 6.566 6.306 -2.100 95 1HG2 ILE 41 HG21 ILE 41 8.696 7.721 -3.165 96 2HG2 ILE 41 HG22 ILE 41 8.269 9.053 -2.089 97 3HG2 ILE 41 HG23 ILE 41 9.865 8.313 -1.985 98 1HD1 ILE 41 HD11 ILE 41 6.322 7.101 0.788 99 2HD1 ILE 41 HD12 ILE 41 5.057 6.368 -0.200 100 3HD1 ILE 41 HD13 ILE 41 6.521 5.457 0.176 101 H TYR 42 HN TYR 42 7.321 4.037 -2.099 102 HA TYR 42 HA TYR 42 8.413 4.076 -4.837 103 1HB TYR 42 HB2 TYR 42 7.266 1.689 -3.368 104 2HB TYR 42 HB3 TYR 42 7.881 1.696 -5.017 105 HD1 TYR 42 HD1 TYR 42 8.680 1.261 -1.564 106 HD2 TYR 42 HD2 TYR 42 10.363 2.208 -5.358 107 HE1 TYR 42 HE1 TYR 42 10.907 0.659 -0.719 108 HE2 TYR 42 HE2 TYR 42 12.595 1.612 -4.522 109 HH TYR 42 HH TYR 42 13.067 0.000 -1.515 110 H LYS 43 HN LYS 43 6.944 3.919 -6.509 111 HA LYS 43 HA LYS 43 4.099 3.927 -5.734 112 1HB LYS 43 HB2 LYS 43 4.691 6.042 -6.784 113 2HB LYS 43 HB3 LYS 43 5.436 5.202 -8.138 114 1HG LYS 43 HG2 LYS 43 3.286 4.340 -8.830 115 2HG LYS 43 HG3 LYS 43 2.515 5.077 -7.428 116 1HD LYS 43 HD2 LYS 43 3.962 6.611 -9.579 117 2HD LYS 43 HD3 LYS 43 2.216 6.358 -9.533 118 1HE LYS 43 HE2 LYS 43 2.366 7.370 -7.167 119 2HE LYS 43 HE3 LYS 43 3.943 7.963 -7.685 120 1HZ LYS 43 HZ1 LYS 43 2.197 9.599 -8.042 121 2HZ LYS 43 HZ2 LYS 43 1.361 8.515 -9.040 122 3HZ LYS 43 HZ3 LYS 43 2.874 9.109 -9.520 123 H GLY 44 HN GLY 44 3.668 1.821 -5.829 124 1HA GLY 44 HA1 GLY 44 4.390 0.403 -8.317 125 2HA GLY 44 HA2 GLY 44 4.427 -0.371 -6.736 126 H LYS 45 HN LYS 45 2.962 -1.532 -8.681 127 HA LYS 45 HA LYS 45 0.207 -0.640 -8.225 128 1HB LYS 45 HB2 LYS 45 1.502 -2.167 -10.455 129 2HB LYS 45 HB3 LYS 45 -0.231 -2.331 -10.146 130 1HG LYS 45 HG2 LYS 45 0.280 -0.662 -11.890 131 2HG LYS 45 HG3 LYS 45 -0.589 0.014 -10.517 132 1HD LYS 45 HD2 LYS 45 1.047 1.607 -11.037 133 2HD LYS 45 HD3 LYS 45 1.702 0.741 -9.647 134 1HE LYS 45 HE2 LYS 45 3.027 -0.654 -11.198 135 2HE LYS 45 HE3 LYS 45 2.423 0.317 -12.539 136 1HZ LYS 45 HZ1 LYS 45 4.536 1.163 -11.972 137 2HZ LYS 45 HZ2 LYS 45 4.179 1.199 -10.319 138 3HZ LYS 45 HZ3 LYS 45 3.410 2.285 -11.371 139 H ILE 46 HN ILE 46 -1.426 -2.204 -7.906 140 HA ILE 46 HA ILE 46 -0.690 -4.292 -6.112 141 HB ILE 46 HB ILE 46 -3.239 -3.273 -7.292 142 1HG1 ILE 46 HG12 ILE 46 -3.915 -3.272 -4.893 143 2HG1 ILE 46 HG13 ILE 46 -2.338 -3.929 -4.470 144 1HG2 ILE 46 HG21 ILE 46 -4.482 -5.152 -6.384 145 2HG2 ILE 46 HG22 ILE 46 -3.345 -5.684 -7.621 146 3HG2 ILE 46 HG23 ILE 46 -2.976 -5.940 -5.916 147 1HD1 ILE 46 HD11 ILE 46 -1.271 -1.899 -5.303 148 2HD1 ILE 46 HD12 ILE 46 -2.848 -1.253 -5.760 149 3HD1 ILE 46 HD13 ILE 46 -2.468 -1.529 -4.061 150 H THR 47 HN THR 47 -0.433 -6.432 -6.531 151 HA THR 47 HA THR 47 -1.037 -7.331 -9.274 152 HB THR 47 HB THR 47 0.894 -8.812 -9.142 153 HG1 THR 47 HG1 THR 47 1.267 -9.268 -7.045 154 1HG2 THR 47 HG21 THR 47 2.637 -7.041 -9.105 155 2HG2 THR 47 HG22 THR 47 1.431 -5.937 -8.431 156 3HG2 THR 47 HG23 THR 47 1.213 -6.601 -10.051 157 H ARG 48 HN ARG 48 -1.698 -7.720 -6.010 158 HA ARG 48 HA ARG 48 -3.211 -10.120 -6.477 159 1HB ARG 48 HB2 ARG 48 -0.769 -10.782 -6.012 160 2HB ARG 48 HB3 ARG 48 -1.081 -10.266 -4.363 161 1HG ARG 48 HG2 ARG 48 -3.040 -11.857 -4.352 162 2HG ARG 48 HG3 ARG 48 -2.402 -12.507 -5.865 163 1HD ARG 48 HD2 ARG 48 -0.264 -12.986 -4.719 164 2HD ARG 48 HD3 ARG 48 -0.970 -12.395 -3.212 165 HE ARG 48 HE ARG 48 -2.433 -14.271 -3.180 166 1HH1 ARG 48 HH1 ARG 48 -0.031 -14.400 -5.743 167 2HH1 ARG 48 HH1 ARG 48 -0.128 -16.125 -5.902 168 1HH2 ARG 48 HH2 ARG 48 -2.530 -16.542 -3.392 169 2HH2 ARG 48 HH2 ARG 48 -1.553 -17.337 -4.592 170 H ILE 49 HN ILE 49 -5.022 -9.804 -5.394 171 HA ILE 49 HA ILE 49 -4.864 -8.668 -2.685 172 HB ILE 49 HB ILE 49 -6.901 -7.899 -4.781 173 1HG1 ILE 49 HG12 ILE 49 -5.055 -6.039 -3.335 174 2HG1 ILE 49 HG13 ILE 49 -4.503 -6.879 -4.786 175 1HG2 ILE 49 HG21 ILE 49 -7.798 -6.394 -3.065 176 2HG2 ILE 49 HG22 ILE 49 -7.920 -8.084 -2.575 177 3HG2 ILE 49 HG23 ILE 49 -6.656 -7.055 -1.895 178 1HD1 ILE 49 HD11 ILE 49 -5.282 -4.748 -5.421 179 2HD1 ILE 49 HD12 ILE 49 -6.463 -5.935 -5.971 180 3HD1 ILE 49 HD13 ILE 49 -6.798 -4.964 -4.535 181 H GLU 50 HN GLU 50 -5.581 -10.172 -1.363 182 HA GLU 50 HA GLU 50 -7.681 -11.971 -2.348 183 1HB GLU 50 HB2 GLU 50 -5.194 -12.525 -0.797 184 2HB GLU 50 HB3 GLU 50 -6.588 -13.572 -0.586 185 1HG GLU 50 HG2 GLU 50 -6.624 -13.910 -3.042 186 2HG GLU 50 HG3 GLU 50 -5.139 -12.972 -3.149 187 HA PRO 51 HA PRO 51 -10.144 -10.263 0.911 188 1HB PRO 51 HB2 PRO 51 -11.757 -12.689 0.323 189 2HB PRO 51 HB3 PRO 51 -12.243 -10.991 0.326 190 1HG PRO 51 HG2 PRO 51 -11.940 -12.314 -1.966 191 2HG PRO 51 HG3 PRO 51 -11.435 -10.619 -1.816 192 1HD PRO 51 HD2 PRO 51 -9.768 -13.105 -1.779 193 2HD PRO 51 HD3 PRO 51 -9.441 -11.539 -2.552 194 H SER 52 HN SER 52 -9.039 -13.574 0.676 195 HA SER 52 HA SER 52 -9.813 -14.317 3.313 196 1HB SER 52 HB2 SER 52 -7.866 -15.628 1.412 197 2HB SER 52 HB3 SER 52 -8.496 -16.355 2.893 198 HG SER 52 HG SER 52 -9.591 -16.352 0.470 199 H LEU 53 HN LEU 53 -7.071 -12.650 2.002 200 HA LEU 53 HA LEU 53 -5.817 -12.924 4.651 201 1HB LEU 53 HB2 LEU 53 -3.655 -12.354 3.468 202 2HB LEU 53 HB3 LEU 53 -4.325 -13.950 3.209 203 HG LEU 53 HG LEU 53 -5.263 -13.089 1.026 204 1HD1 LEU 53 HD11 LEU 53 -3.437 -10.775 1.643 205 2HD1 LEU 53 HD12 LEU 53 -4.151 -11.114 0.066 206 3HD1 LEU 53 HD13 LEU 53 -5.192 -10.717 1.436 207 1HD2 LEU 53 HD21 LEU 53 -3.302 -14.509 1.166 208 2HD2 LEU 53 HD22 LEU 53 -3.135 -13.322 -0.130 209 3HD2 LEU 53 HD23 LEU 53 -2.278 -13.090 1.394 210 H GLU 54 HN GLU 54 -7.599 -10.793 3.006 211 HA GLU 54 HA GLU 54 -7.999 -8.571 3.210 212 1HB GLU 54 HB2 GLU 54 -7.907 -7.728 5.535 213 2HB GLU 54 HB3 GLU 54 -8.672 -9.305 5.408 214 1HG GLU 54 HG2 GLU 54 -6.584 -10.353 6.183 215 2HG GLU 54 HG3 GLU 54 -5.863 -8.754 6.351 216 H ALA 55 HN ALA 55 -5.774 -8.776 1.818 217 HA ALA 55 HA ALA 55 -4.329 -6.403 2.430 218 1HB ALA 55 HB1 ALA 55 -2.896 -9.032 2.705 219 2HB ALA 55 HB2 ALA 55 -2.132 -7.439 2.720 220 3HB ALA 55 HB3 ALA 55 -3.248 -7.895 4.010 221 H ALA 56 HN ALA 56 -2.397 -6.192 0.854 222 HA ALA 56 HA ALA 56 -3.018 -7.536 -1.687 223 1HB ALA 56 HB1 ALA 56 -4.187 -5.375 -1.653 224 2HB ALA 56 HB2 ALA 56 -2.648 -4.559 -1.380 225 3HB ALA 56 HB3 ALA 56 -2.927 -5.431 -2.886 226 H PHE 57 HN PHE 57 -1.311 -8.004 -2.931 227 HA PHE 57 HA PHE 57 1.349 -7.320 -1.949 228 1HB PHE 57 HB2 PHE 57 0.386 -9.201 -4.111 229 2HB PHE 57 HB3 PHE 57 2.088 -8.859 -3.831 230 HD1 PHE 57 HD1 PHE 57 3.239 -9.775 -1.928 231 HD2 PHE 57 HD2 PHE 57 -0.915 -10.482 -2.508 232 HE1 PHE 57 HE1 PHE 57 3.303 -11.540 -0.215 233 HE2 PHE 57 HE2 PHE 57 -0.859 -12.248 -0.798 234 HZ PHE 57 HZ PHE 57 1.293 -12.848 0.278 235 H VAL 58 HN VAL 58 2.701 -5.973 -2.958 236 HA VAL 58 HA VAL 58 1.784 -4.703 -5.457 237 HB VAL 58 HB VAL 58 3.074 -3.438 -3.039 238 1HG1 VAL 58 HG11 VAL 58 4.454 -2.783 -4.953 239 2HG1 VAL 58 HG12 VAL 58 3.010 -2.258 -5.818 240 3HG1 VAL 58 HG13 VAL 58 3.510 -1.422 -4.348 241 1HG2 VAL 58 HG21 VAL 58 0.666 -3.368 -3.129 242 2HG2 VAL 58 HG22 VAL 58 1.311 -1.750 -3.420 243 3HG2 VAL 58 HG23 VAL 58 0.714 -2.717 -4.769 244 H ASP 59 HN ASP 59 3.233 -4.562 -7.082 245 HA ASP 59 HA ASP 59 5.740 -6.010 -6.581 246 1HB ASP 59 HB2 ASP 59 4.132 -7.151 -8.074 247 2HB ASP 59 HB3 ASP 59 4.188 -5.749 -9.159 248 H TYR 60 HN TYR 60 7.345 -4.579 -6.358 249 HA TYR 60 HA TYR 60 7.849 -2.957 -8.751 250 1HB TYR 60 HB2 TYR 60 9.017 -1.290 -7.428 251 2HB TYR 60 HB3 TYR 60 7.407 -1.494 -6.762 252 HD1 TYR 60 HD1 TYR 60 7.271 -3.256 -4.787 253 HD2 TYR 60 HD2 TYR 60 10.810 -1.196 -5.942 254 HE1 TYR 60 HE1 TYR 60 8.203 -3.622 -2.548 255 HE2 TYR 60 HE2 TYR 60 11.751 -1.556 -3.696 256 HH TYR 60 HH TYR 60 10.933 -1.993 -1.400 257 H GLY 61 HN GLY 61 8.689 -5.153 -9.349 258 1HA GLY 61 HA1 GLY 61 10.307 -6.777 -9.517 259 2HA GLY 61 HA2 GLY 61 11.436 -5.467 -9.206 260 H ALA 62 HN ALA 62 8.985 -6.644 -6.955 261 HA ALA 62 HA ALA 62 11.105 -7.014 -4.973 262 1HB ALA 62 HB1 ALA 62 8.110 -6.931 -4.605 263 2HB ALA 62 HB2 ALA 62 9.315 -6.976 -3.316 264 3HB ALA 62 HB3 ALA 62 9.213 -5.573 -4.381 265 H GLU 63 HN GLU 63 11.306 -8.894 -3.724 266 HA GLU 63 HA GLU 63 10.795 -11.286 -5.215 267 1HB GLU 63 HB2 GLU 63 12.088 -10.799 -2.532 268 2HB GLU 63 HB3 GLU 63 11.924 -12.397 -3.247 269 1HG GLU 63 HG2 GLU 63 13.405 -10.082 -4.475 270 2HG GLU 63 HG3 GLU 63 14.139 -11.437 -3.615 271 H ARG 64 HN ARG 64 9.768 -10.115 -1.984 272 HA ARG 64 HA ARG 64 7.820 -12.308 -1.916 273 1HB ARG 64 HB2 ARG 64 7.914 -10.334 0.299 274 2HB ARG 64 HB3 ARG 64 7.696 -12.075 0.357 275 1HG ARG 64 HG2 ARG 64 10.287 -10.615 -0.072 276 2HG ARG 64 HG3 ARG 64 9.771 -11.417 1.407 277 1HD ARG 64 HD2 ARG 64 9.943 -13.561 0.406 278 2HD ARG 64 HD3 ARG 64 10.107 -12.866 -1.210 279 HE ARG 64 HE ARG 64 12.182 -11.935 0.468 280 1HH1 ARG 64 HH1 ARG 64 11.169 -14.820 -1.241 281 2HH1 ARG 64 HH1 ARG 64 12.800 -15.390 -1.478 282 1HH2 ARG 64 HH2 ARG 64 14.314 -12.674 0.120 283 2HH2 ARG 64 HH2 ARG 64 14.577 -14.163 -0.731 284 H HIS 65 HN HIS 65 8.048 -9.184 -2.930 285 HA HIS 65 HA HIS 65 6.579 -7.647 -3.727 286 1HB HIS 65 HB2 HIS 65 4.589 -9.776 -3.006 287 2HB HIS 65 HB3 HIS 65 4.030 -8.148 -3.374 288 HD1 HIS 65 HD1 HIS 65 2.851 -8.962 -5.514 289 HD2 HIS 65 HD2 HIS 65 6.948 -9.589 -5.485 290 HE1 HIS 65 HE1 HIS 65 3.452 -9.540 -7.868 291 HE2 HIS 65 HE2 HIS 65 5.953 -9.788 -7.870 292 H GLY 66 HN GLY 66 5.645 -5.810 -2.935 293 1HA GLY 66 HA1 GLY 66 5.929 -5.350 -0.129 294 2HA GLY 66 HA2 GLY 66 5.290 -4.214 -1.315 295 H PHE 67 HN PHE 67 4.552 -6.391 1.167 296 HA PHE 67 HA PHE 67 1.798 -6.786 0.337 297 1HB PHE 67 HB2 PHE 67 3.362 -8.524 1.434 298 2HB PHE 67 HB3 PHE 67 3.028 -7.669 2.929 299 HD1 PHE 67 HD1 PHE 67 0.656 -8.320 0.168 300 HD2 PHE 67 HD2 PHE 67 1.855 -9.293 4.131 301 HE1 PHE 67 HE1 PHE 67 -1.411 -9.621 0.471 302 HE2 PHE 67 HE2 PHE 67 -0.207 -10.594 4.440 303 HZ PHE 67 HZ PHE 67 -1.800 -10.841 2.556 304 H LEU 68 HN LEU 68 0.589 -5.013 0.592 305 HA LEU 68 HA LEU 68 0.795 -3.410 3.024 306 1HB LEU 68 HB2 LEU 68 0.259 -2.769 0.389 307 2HB LEU 68 HB3 LEU 68 -1.326 -2.721 1.127 308 HG LEU 68 HG LEU 68 1.077 -1.078 1.886 309 1HD1 LEU 68 HD11 LEU 68 -0.107 -0.284 -0.068 310 2HD1 LEU 68 HD12 LEU 68 -1.632 -0.330 0.817 311 3HD1 LEU 68 HD13 LEU 68 -0.367 0.800 1.302 312 1HD2 LEU 68 HD21 LEU 68 -1.605 -1.233 3.234 313 2HD2 LEU 68 HD22 LEU 68 -0.053 -1.728 3.913 314 3HD2 LEU 68 HD23 LEU 68 -0.358 -0.028 3.560 315 HA PRO 69 HA PRO 69 -2.634 -5.843 4.750 316 1HB PRO 69 HB2 PRO 69 -2.214 -3.940 6.973 317 2HB PRO 69 HB3 PRO 69 -2.204 -5.706 6.994 318 1HG PRO 69 HG2 PRO 69 0.058 -4.308 7.264 319 2HG PRO 69 HG3 PRO 69 0.020 -5.833 6.358 320 1HD PRO 69 HD2 PRO 69 0.029 -3.019 5.332 321 2HD PRO 69 HD3 PRO 69 0.921 -4.438 4.737 322 H LEU 70 HN LEU 70 -4.774 -5.403 4.808 323 HA LEU 70 HA LEU 70 -5.810 -3.104 3.625 324 1HB LEU 70 HB2 LEU 70 -7.137 -5.020 3.530 325 2HB LEU 70 HB3 LEU 70 -7.021 -5.305 5.253 326 HG LEU 70 HG LEU 70 -8.470 -3.341 5.652 327 1HD1 LEU 70 HD11 LEU 70 -9.674 -2.339 3.780 328 2HD1 LEU 70 HD12 LEU 70 -7.935 -2.072 3.650 329 3HD1 LEU 70 HD13 LEU 70 -8.715 -3.300 2.651 330 1HD2 LEU 70 HD21 LEU 70 -10.541 -4.383 4.868 331 2HD2 LEU 70 HD22 LEU 70 -9.604 -5.425 3.798 332 3HD2 LEU 70 HD23 LEU 70 -9.426 -5.570 5.546 333 H LYS 71 HN LYS 71 -5.240 -3.826 7.001 334 HA LYS 71 HA LYS 71 -6.871 -1.832 8.122 335 1HB LYS 71 HB2 LYS 71 -5.566 -2.164 10.162 336 2HB LYS 71 HB3 LYS 71 -5.962 -3.705 9.420 337 1HG LYS 71 HG2 LYS 71 -3.701 -3.801 8.457 338 2HG LYS 71 HG3 LYS 71 -3.311 -2.285 9.273 339 1HD LYS 71 HD2 LYS 71 -3.828 -3.377 11.441 340 2HD LYS 71 HD3 LYS 71 -4.074 -4.896 10.578 341 1HE LYS 71 HE2 LYS 71 -1.856 -4.894 11.483 342 2HE LYS 71 HE3 LYS 71 -1.749 -4.734 9.731 343 1HZ LYS 71 HZ1 LYS 71 -0.221 -3.232 10.852 344 2HZ LYS 71 HZ2 LYS 71 -1.507 -2.509 11.687 345 3HZ LYS 71 HZ3 LYS 71 -1.400 -2.346 10.007 346 H GLU 72 HN GLU 72 -4.093 -1.527 6.276 347 HA GLU 72 HA GLU 72 -3.262 0.993 7.503 348 1HB GLU 72 HB2 GLU 72 -2.037 -0.435 5.138 349 2HB GLU 72 HB3 GLU 72 -1.317 0.852 6.099 350 1HG GLU 72 HG2 GLU 72 -1.980 -1.883 7.162 351 2HG GLU 72 HG3 GLU 72 -0.401 -1.416 6.535 352 H ILE 73 HN ILE 73 -5.155 -0.210 4.899 353 HA ILE 73 HA ILE 73 -4.420 1.318 2.746 354 HB ILE 73 HB ILE 73 -7.015 0.064 3.507 355 1HG1 ILE 73 HG12 ILE 73 -4.941 -0.364 1.352 356 2HG1 ILE 73 HG13 ILE 73 -5.339 -1.425 2.702 357 1HG2 ILE 73 HG21 ILE 73 -7.745 2.052 2.366 358 2HG2 ILE 73 HG22 ILE 73 -6.601 1.765 1.056 359 3HG2 ILE 73 HG23 ILE 73 -7.950 0.660 1.303 360 1HD1 ILE 73 HD11 ILE 73 -7.513 -1.878 1.711 361 2HD1 ILE 73 HD12 ILE 73 -7.132 -0.796 0.371 362 3HD1 ILE 73 HD13 ILE 73 -6.203 -2.276 0.601 363 H ALA 74 HN ALA 74 -4.603 3.283 2.057 364 HA ALA 74 HA ALA 74 -6.038 5.268 3.661 365 1HB ALA 74 HB1 ALA 74 -4.626 6.909 2.593 366 2HB ALA 74 HB2 ALA 74 -3.625 5.599 3.222 367 3HB ALA 74 HB3 ALA 74 -3.976 5.685 1.495 368 H ARG 75 HN ARG 75 -7.190 6.964 2.550 369 HA ARG 75 HA ARG 75 -9.159 5.839 0.902 370 1HB ARG 75 HB2 ARG 75 -9.502 7.649 2.583 371 2HB ARG 75 HB3 ARG 75 -8.771 8.776 1.448 372 1HG ARG 75 HG2 ARG 75 -10.536 8.541 -0.085 373 2HG ARG 75 HG3 ARG 75 -11.151 7.100 0.721 374 1HD ARG 75 HD2 ARG 75 -12.545 9.050 1.176 375 2HD ARG 75 HD3 ARG 75 -11.798 8.428 2.645 376 HE ARG 75 HE ARG 75 -10.074 10.364 1.873 377 1HH1 ARG 75 HH1 ARG 75 -13.547 10.317 2.295 378 2HH1 ARG 75 HH1 ARG 75 -13.640 11.961 2.838 379 1HH2 ARG 75 HH2 ARG 75 -10.189 12.539 2.558 380 2HH2 ARG 75 HH2 ARG 75 -11.728 13.238 2.955 381 H GLU 76 HN GLU 76 -6.169 7.287 -0.096 382 HA GLU 76 HA GLU 76 -7.025 8.174 -2.656 383 1HB GLU 76 HB2 GLU 76 -4.794 8.759 -1.958 384 2HB GLU 76 HB3 GLU 76 -4.349 7.067 -1.765 385 1HG GLU 76 HG2 GLU 76 -4.491 6.718 -4.145 386 2HG GLU 76 HG3 GLU 76 -5.054 8.355 -4.405 387 H TYR 77 HN TYR 77 -6.652 5.054 -1.288 388 HA TYR 77 HA TYR 77 -6.248 3.635 -3.757 389 1HB TYR 77 HB2 TYR 77 -7.055 2.580 -1.037 390 2HB TYR 77 HB3 TYR 77 -6.500 1.610 -2.396 391 HD1 TYR 77 HD1 TYR 77 -4.487 4.226 -2.857 392 HD2 TYR 77 HD2 TYR 77 -5.124 1.248 0.116 393 HE1 TYR 77 HE1 TYR 77 -2.158 4.471 -2.115 394 HE2 TYR 77 HE2 TYR 77 -2.794 1.490 0.864 395 HH TYR 77 HH TYR 77 -0.672 2.272 0.056 396 H PHE 78 HN PHE 78 -8.944 3.802 -1.440 397 HA PHE 78 HA PHE 78 -10.791 3.261 -3.651 398 1HB PHE 78 HB2 PHE 78 -12.545 3.074 -1.893 399 2HB PHE 78 HB3 PHE 78 -11.257 1.898 -1.693 400 HD1 PHE 78 HD1 PHE 78 -9.266 2.891 -0.087 401 HD2 PHE 78 HD2 PHE 78 -13.378 3.984 0.015 402 HE1 PHE 78 HE1 PHE 78 -9.021 3.570 2.262 403 HE2 PHE 78 HE2 PHE 78 -13.137 4.673 2.366 404 HZ PHE 78 HZ PHE 78 -10.955 4.460 3.492 405 HA PRO 79 HA PRO 79 -10.393 7.428 -4.589 406 1HB PRO 79 HB2 PRO 79 -13.099 7.821 -5.368 407 2HB PRO 79 HB3 PRO 79 -11.712 7.465 -6.402 408 1HG PRO 79 HG2 PRO 79 -13.722 5.628 -5.218 409 2HG PRO 79 HG3 PRO 79 -12.898 5.519 -6.786 410 1HD PRO 79 HD2 PRO 79 -12.174 3.908 -4.815 411 2HD PRO 79 HD3 PRO 79 -10.916 4.697 -5.798 412 H ALA 80 HN ALA 80 -10.441 9.218 -3.554 413 HA ALA 80 HA ALA 80 -11.361 9.408 -0.958 414 1HB ALA 80 HB1 ALA 80 -10.566 11.673 -1.055 415 2HB ALA 80 HB2 ALA 80 -9.473 10.603 -1.945 416 3HB ALA 80 HB3 ALA 80 -10.604 11.636 -2.820 417 H ASN 81 HN ASN 81 -13.132 9.997 -3.843 418 HA ASN 81 HA ASN 81 -15.098 11.683 -2.500 419 1HB ASN 81 HB2 ASN 81 -14.931 10.645 -5.332 420 2HB ASN 81 HB3 ASN 81 -16.275 11.605 -4.724 421 1HD2 ASN 81 HD21 ASN 81 -14.338 12.181 -6.835 422 2HD2 ASN 81 HD22 ASN 81 -13.586 13.675 -6.389 423 H TYR 82 HN TYR 82 -14.449 8.493 -2.555 424 HA TYR 82 HA TYR 82 -17.135 7.448 -2.783 425 1HB TYR 82 HB2 TYR 82 -15.196 6.094 -3.463 426 2HB TYR 82 HB3 TYR 82 -14.549 6.177 -1.830 427 HD1 TYR 82 HD1 TYR 82 -17.567 5.017 -3.697 428 HD2 TYR 82 HD2 TYR 82 -14.999 4.450 -0.351 429 HE1 TYR 82 HE1 TYR 82 -18.792 2.967 -3.114 430 HE2 TYR 82 HE2 TYR 82 -16.211 2.395 0.236 431 HH TYR 82 HH TYR 82 -18.222 0.791 -1.824 432 H SER 83 HN SER 83 -18.446 6.780 -1.093 433 HA SER 83 HA SER 83 -18.138 8.096 1.411 434 1HB SER 83 HB2 SER 83 -20.055 5.872 0.666 435 2HB SER 83 HB3 SER 83 -20.216 6.982 2.027 436 HG SER 83 HG SER 83 -21.461 7.874 0.491 437 H ALA 84 HN ALA 84 -16.424 7.447 2.593 438 HA ALA 84 HA ALA 84 -15.580 4.745 2.835 439 1HB ALA 84 HB1 ALA 84 -14.052 6.642 3.149 440 2HB ALA 84 HB2 ALA 84 -14.932 7.101 4.607 441 3HB ALA 84 HB3 ALA 84 -14.062 5.568 4.548 442 H HIS 85 HN HIS 85 -17.208 3.450 3.521 443 HA HIS 85 HA HIS 85 -18.847 4.086 5.780 444 1HB HIS 85 HB2 HIS 85 -19.864 1.894 5.434 445 2HB HIS 85 HB3 HIS 85 -19.715 2.747 3.907 446 HD1 HIS 85 HD1 HIS 85 -19.338 -0.495 5.239 447 HD2 HIS 85 HD2 HIS 85 -17.125 1.782 2.543 448 HE1 HIS 85 HE1 HIS 85 -17.949 -2.139 3.937 449 HE2 HIS 85 HE2 HIS 85 -16.723 -0.761 2.229 450 H GLY 86 HN GLY 86 -16.698 4.462 6.997 451 1HA GLY 86 HA1 GLY 86 -15.721 3.805 9.018 452 2HA GLY 86 HA2 GLY 86 -16.323 2.172 8.752 453 H ARG 87 HN ARG 87 -14.660 0.823 8.688 454 HA ARG 87 HA ARG 87 -12.082 1.685 7.687 455 1HB ARG 87 HB2 ARG 87 -13.022 -0.992 8.742 456 2HB ARG 87 HB3 ARG 87 -11.360 -0.617 8.300 457 1HG ARG 87 HG2 ARG 87 -11.325 1.142 10.017 458 2HG ARG 87 HG3 ARG 87 -12.963 0.689 10.489 459 1HD ARG 87 HD2 ARG 87 -12.180 -1.548 11.072 460 2HD ARG 87 HD3 ARG 87 -10.546 -1.114 10.568 461 HE ARG 87 HE ARG 87 -11.698 0.593 12.607 462 1HH1 ARG 87 HH1 ARG 87 -9.744 -2.242 11.931 463 2HH1 ARG 87 HH1 ARG 87 -8.954 -2.211 13.478 464 1HH2 ARG 87 HH2 ARG 87 -10.648 0.619 14.634 465 2HH2 ARG 87 HH2 ARG 87 -9.460 -0.595 15.012 466 HA PRO 88 HA PRO 88 -12.692 0.485 3.474 467 1HB PRO 88 HB2 PRO 88 -9.996 -0.144 3.023 468 2HB PRO 88 HB3 PRO 88 -10.760 1.425 2.769 469 1HG PRO 88 HG2 PRO 88 -9.088 0.471 5.020 470 2HG PRO 88 HG3 PRO 88 -9.267 2.109 4.359 471 1HD PRO 88 HD2 PRO 88 -10.388 1.346 6.700 472 2HD PRO 88 HD3 PRO 88 -11.125 2.554 5.623 473 H ASN 89 HN ASN 89 -12.714 -1.322 2.174 474 HA ASN 89 HA ASN 89 -11.851 -3.864 3.378 475 1HB ASN 89 HB2 ASN 89 -13.740 -4.817 1.840 476 2HB ASN 89 HB3 ASN 89 -14.163 -4.094 3.383 477 1HD2 ASN 89 HD21 ASN 89 -13.320 -2.384 0.385 478 2HD2 ASN 89 HD22 ASN 89 -14.880 -1.663 0.160 479 H ILE 90 HN ILE 90 -10.204 -4.771 2.296 480 HA ILE 90 HA ILE 90 -9.050 -3.248 0.233 481 HB ILE 90 HB ILE 90 -7.754 -4.518 1.919 482 1HG1 ILE 90 HG12 ILE 90 -6.843 -5.461 -0.766 483 2HG1 ILE 90 HG13 ILE 90 -6.987 -3.731 -0.467 484 1HG2 ILE 90 HG21 ILE 90 -8.992 -6.629 1.877 485 2HG2 ILE 90 HG22 ILE 90 -8.420 -6.935 0.237 486 3HG2 ILE 90 HG23 ILE 90 -7.270 -6.884 1.575 487 1HD1 ILE 90 HD11 ILE 90 -4.730 -4.507 -0.073 488 2HD1 ILE 90 HD12 ILE 90 -5.466 -3.937 1.425 489 3HD1 ILE 90 HD13 ILE 90 -5.324 -5.667 1.115 490 H LYS 91 HN LYS 91 -10.692 -6.356 0.145 491 HA LYS 91 HA LYS 91 -10.229 -7.012 -2.525 492 1HB LYS 91 HB2 LYS 91 -12.463 -8.251 -2.255 493 2HB LYS 91 HB3 LYS 91 -11.151 -8.678 -1.163 494 1HG LYS 91 HG2 LYS 91 -12.184 -7.000 0.459 495 2HG LYS 91 HG3 LYS 91 -13.603 -7.049 -0.589 496 1HD LYS 91 HD2 LYS 91 -12.355 -9.546 0.519 497 2HD LYS 91 HD3 LYS 91 -13.553 -8.622 1.430 498 1HE LYS 91 HE2 LYS 91 -13.971 -9.774 -1.327 499 2HE LYS 91 HE3 LYS 91 -14.552 -10.494 0.175 500 1HZ LYS 91 HZ1 LYS 91 -16.351 -9.310 -0.703 501 2HZ LYS 91 HZ2 LYS 91 -15.405 -7.956 -1.090 502 3HZ LYS 91 HZ3 LYS 91 -15.750 -8.313 0.533 503 H ASP 92 HN ASP 92 -12.162 -4.523 -1.202 504 HA ASP 92 HA ASP 92 -13.546 -4.118 -3.776 505 1HB ASP 92 HB2 ASP 92 -15.089 -4.802 -2.002 506 2HB ASP 92 HB3 ASP 92 -14.497 -3.514 -0.963 507 H VAL 93 HN VAL 93 -10.969 -3.089 -2.371 508 HA VAL 93 HA VAL 93 -11.520 -0.209 -2.689 509 HB VAL 93 HB VAL 93 -9.807 -1.623 -0.656 510 1HG1 VAL 93 HG11 VAL 93 -9.597 1.284 -1.427 511 2HG1 VAL 93 HG12 VAL 93 -8.801 0.522 -0.053 512 3HG1 VAL 93 HG13 VAL 93 -8.364 0.053 -1.697 513 1HG2 VAL 93 HG21 VAL 93 -11.845 0.592 -0.450 514 2HG2 VAL 93 HG22 VAL 93 -12.099 -1.099 -0.025 515 3HG2 VAL 93 HG23 VAL 93 -10.963 -0.119 0.900 516 H LEU 94 HN LEU 94 -9.002 -2.696 -2.811 517 HA LEU 94 HA LEU 94 -7.508 -1.014 -4.680 518 1HB LEU 94 HB2 LEU 94 -6.758 -3.362 -2.967 519 2HB LEU 94 HB3 LEU 94 -5.745 -2.854 -4.303 520 HG LEU 94 HG LEU 94 -6.479 -1.152 -1.920 521 1HD1 LEU 94 HD11 LEU 94 -3.923 -2.563 -2.675 522 2HD1 LEU 94 HD12 LEU 94 -4.094 -1.406 -1.351 523 3HD1 LEU 94 HD13 LEU 94 -4.971 -2.936 -1.307 524 1HD2 LEU 94 HD21 LEU 94 -4.612 -0.633 -4.229 525 2HD2 LEU 94 HD22 LEU 94 -6.158 0.164 -3.944 526 3HD2 LEU 94 HD23 LEU 94 -4.823 0.404 -2.817 527 H ARG 95 HN ARG 95 -6.784 -1.836 -6.623 528 HA ARG 95 HA ARG 95 -7.719 -4.463 -7.441 529 1HB ARG 95 HB2 ARG 95 -8.246 -3.329 -9.750 530 2HB ARG 95 HB3 ARG 95 -9.455 -3.397 -8.483 531 1HG ARG 95 HG2 ARG 95 -7.694 -1.001 -8.726 532 2HG ARG 95 HG3 ARG 95 -9.077 -1.202 -9.807 533 1HD ARG 95 HD2 ARG 95 -10.481 -1.564 -7.743 534 2HD ARG 95 HD3 ARG 95 -9.084 -1.048 -6.799 535 HE ARG 95 HE ARG 95 -9.400 0.987 -8.531 536 1HH1 ARG 95 HH1 ARG 95 -11.594 -0.671 -6.377 537 2HH1 ARG 95 HH1 ARG 95 -12.621 0.707 -6.132 538 1HH2 ARG 95 HH2 ARG 95 -10.765 2.800 -8.265 539 2HH2 ARG 95 HH2 ARG 95 -12.173 2.677 -7.240 540 H GLU 96 HN GLU 96 -6.611 -5.327 -9.210 541 HA GLU 96 HA GLU 96 -3.831 -4.939 -9.058 542 1HB GLU 96 HB2 GLU 96 -5.302 -6.458 -11.214 543 2HB GLU 96 HB3 GLU 96 -3.689 -6.770 -10.578 544 1HG GLU 96 HG2 GLU 96 -4.545 -7.598 -8.537 545 2HG GLU 96 HG3 GLU 96 -6.162 -6.991 -8.885 546 H GLY 97 HN GLY 97 -2.529 -3.662 -10.189 547 1HA GLY 97 HA1 GLY 97 -1.821 -2.558 -12.185 548 2HA GLY 97 HA2 GLY 97 -3.495 -2.505 -12.713 549 H GLN 98 HN GLN 98 -3.851 -1.712 -9.650 550 HA GLN 98 HA GLN 98 -3.785 1.145 -10.184 551 1HB GLN 98 HB2 GLN 98 -5.705 -0.057 -9.013 552 2HB GLN 98 HB3 GLN 98 -4.633 -0.221 -7.632 553 1HG GLN 98 HG2 GLN 98 -4.516 2.111 -7.306 554 2HG GLN 98 HG3 GLN 98 -5.281 2.438 -8.860 555 1HE2 GLN 98 HE21 GLN 98 -5.791 1.386 -5.583 556 2HE2 GLN 98 HE22 GLN 98 -7.507 1.603 -5.576 557 H GLU 99 HN GLU 99 -2.398 2.584 -9.246 558 HA GLU 99 HA GLU 99 -0.029 1.448 -8.025 559 1HB GLU 99 HB2 GLU 99 0.916 3.700 -8.230 560 2HB GLU 99 HB3 GLU 99 0.269 3.128 -9.766 561 1HG GLU 99 HG2 GLU 99 -1.720 4.461 -9.452 562 2HG GLU 99 HG3 GLU 99 -1.138 4.999 -7.863 563 H VAL 100 HN VAL 100 0.904 2.241 -6.114 564 HA VAL 100 HA VAL 100 -0.828 3.796 -4.328 565 HB VAL 100 HB VAL 100 -0.171 2.407 -2.424 566 1HG1 VAL 100 HG11 VAL 100 -1.499 0.385 -2.956 567 2HG1 VAL 100 HG12 VAL 100 -2.278 1.889 -3.450 568 3HG1 VAL 100 HG13 VAL 100 -1.489 0.869 -4.653 569 1HG2 VAL 100 HG21 VAL 100 0.951 0.263 -2.732 570 2HG2 VAL 100 HG22 VAL 100 1.097 0.579 -4.461 571 3HG2 VAL 100 HG23 VAL 100 1.966 1.590 -3.304 572 H ILE 101 HN ILE 101 0.312 5.098 -2.856 573 HA ILE 101 HA ILE 101 3.184 5.386 -3.348 574 HB ILE 101 HB ILE 101 1.573 7.079 -1.448 575 1HG1 ILE 101 HG12 ILE 101 0.336 7.105 -3.550 576 2HG1 ILE 101 HG13 ILE 101 1.127 8.650 -3.286 577 1HG2 ILE 101 HG21 ILE 101 3.998 7.682 -3.135 578 2HG2 ILE 101 HG22 ILE 101 3.232 8.781 -1.988 579 3HG2 ILE 101 HG23 ILE 101 4.008 7.305 -1.412 580 1HD1 ILE 101 HD11 ILE 101 2.081 6.466 -5.106 581 2HD1 ILE 101 HD12 ILE 101 1.302 7.972 -5.592 582 3HD1 ILE 101 HD13 ILE 101 2.895 8.007 -4.835 583 H VAL 102 HN VAL 102 4.429 4.106 -2.116 584 HA VAL 102 HA VAL 102 3.768 3.726 0.708 585 HB VAL 102 HB VAL 102 4.182 1.235 0.422 586 1HG1 VAL 102 HG11 VAL 102 1.677 2.475 -0.703 587 2HG1 VAL 102 HG12 VAL 102 1.824 0.798 -0.174 588 3HG1 VAL 102 HG13 VAL 102 2.010 2.112 0.991 589 1HG2 VAL 102 HG21 VAL 102 3.576 0.315 -1.802 590 2HG2 VAL 102 HG22 VAL 102 3.583 1.954 -2.449 591 3HG2 VAL 102 HG23 VAL 102 5.072 1.246 -1.825 592 H GLN 103 HN GLN 103 5.482 3.498 1.965 593 HA GLN 103 HA GLN 103 8.068 2.949 0.688 594 1HB GLN 103 HB2 GLN 103 9.098 4.055 2.672 595 2HB GLN 103 HB3 GLN 103 8.101 5.143 1.712 596 1HG GLN 103 HG2 GLN 103 6.301 4.953 3.316 597 2HG GLN 103 HG3 GLN 103 7.227 3.784 4.253 598 1HE2 GLN 103 HE21 GLN 103 8.911 4.483 5.527 599 2HE2 GLN 103 HE22 GLN 103 9.168 6.154 5.901 600 H ILE 104 HN ILE 104 9.347 1.354 1.570 601 HA ILE 104 HA ILE 104 7.925 -0.750 2.868 602 HB ILE 104 HB ILE 104 10.796 -0.446 2.019 603 1HG1 ILE 104 HG12 ILE 104 9.214 -0.712 0.207 604 2HG1 ILE 104 HG13 ILE 104 10.125 -2.207 0.393 605 1HG2 ILE 104 HG21 ILE 104 11.095 -2.830 2.523 606 2HG2 ILE 104 HG22 ILE 104 10.799 -1.874 3.975 607 3HG2 ILE 104 HG23 ILE 104 9.504 -2.856 3.286 608 1HD1 ILE 104 HD11 ILE 104 7.743 -2.616 -0.022 609 2HD1 ILE 104 HD12 ILE 104 8.248 -3.230 1.552 610 3HD1 ILE 104 HD13 ILE 104 7.340 -1.723 1.444 611 H ASP 105 HN ASP 105 7.339 -0.444 4.854 612 HA ASP 105 HA ASP 105 9.041 0.854 6.799 613 1HB ASP 105 HB2 ASP 105 6.540 1.156 6.728 614 2HB ASP 105 HB3 ASP 105 6.382 -0.525 7.242 615 H LYS 106 HN LYS 106 7.921 -2.351 5.978 616 HA LYS 106 HA LYS 106 9.630 -3.434 8.100 617 1HB LYS 106 HB2 LYS 106 7.046 -3.959 7.901 618 2HB LYS 106 HB3 LYS 106 7.630 -5.110 6.708 619 1HG LYS 106 HG2 LYS 106 8.711 -6.400 8.247 620 2HG LYS 106 HG3 LYS 106 8.887 -5.073 9.392 621 1HD LYS 106 HD2 LYS 106 7.244 -6.831 10.081 622 2HD LYS 106 HD3 LYS 106 6.587 -5.198 10.011 623 1HE LYS 106 HE2 LYS 106 5.031 -6.811 9.057 624 2HE LYS 106 HE3 LYS 106 5.598 -5.677 7.835 625 1HZ LYS 106 HZ1 LYS 106 6.635 -8.437 8.231 626 2HZ LYS 106 HZ2 LYS 106 7.123 -7.350 7.023 627 3HZ LYS 106 HZ3 LYS 106 5.541 -7.958 7.018 628 H GLU 107 HN GLU 107 11.072 -5.056 7.596 629 HA GLU 107 HA GLU 107 12.197 -4.456 4.993 630 1HB GLU 107 HB2 GLU 107 13.194 -4.393 7.437 631 2HB GLU 107 HB3 GLU 107 13.565 -6.072 7.084 632 1HG GLU 107 HG2 GLU 107 14.365 -3.992 5.115 633 2HG GLU 107 HG3 GLU 107 15.300 -4.170 6.599 634 H GLU 108 HN GLU 108 12.502 -5.915 3.384 635 HA GLU 108 HA GLU 108 11.033 -8.337 3.432 636 1HB GLU 108 HB2 GLU 108 11.446 -7.005 1.371 637 2HB GLU 108 HB3 GLU 108 13.137 -7.484 1.434 638 1HG GLU 108 HG2 GLU 108 12.539 -9.797 1.150 639 2HG GLU 108 HG3 GLU 108 10.825 -9.393 1.218 640 H ARG 109 HN ARG 109 11.576 -10.231 4.173 641 HA ARG 109 HA ARG 109 14.384 -10.901 4.579 642 1HB ARG 109 HB2 ARG 109 13.649 -11.646 6.955 643 2HB ARG 109 HB3 ARG 109 13.989 -9.946 6.661 644 1HG ARG 109 HG2 ARG 109 11.496 -9.703 6.232 645 2HG ARG 109 HG3 ARG 109 11.335 -11.302 6.951 646 1HD ARG 109 HD2 ARG 109 10.944 -9.498 8.566 647 2HD ARG 109 HD3 ARG 109 12.319 -10.516 9.011 648 HE ARG 109 HE ARG 109 12.676 -7.915 7.663 649 1HH1 ARG 109 HH1 ARG 109 13.462 -10.189 10.201 650 2HH1 ARG 109 HH1 ARG 109 14.659 -9.160 10.937 651 1HH2 ARG 109 HH2 ARG 109 14.296 -6.572 8.603 652 2HH2 ARG 109 HH2 ARG 109 15.160 -7.126 10.002 653 H GLY 110 HN GLY 110 11.225 -12.272 5.637 654 1HA GLY 110 HA1 GLY 110 11.406 -14.375 3.720 655 2HA GLY 110 HA2 GLY 110 11.905 -14.917 5.314 656 H ASN 111 HN ASN 111 10.229 -14.162 7.099 657 HA ASN 111 HA ASN 111 8.007 -15.801 6.564 658 1HB ASN 111 HB2 ASN 111 8.828 -15.588 8.818 659 2HB ASN 111 HB3 ASN 111 8.528 -13.854 8.818 660 1HD2 ASN 111 HD21 ASN 111 7.029 -17.013 8.846 661 2HD2 ASN 111 HD22 ASN 111 5.494 -16.493 9.458 662 H LYS 112 HN LYS 112 8.111 -12.248 7.041 663 HA LYS 112 HA LYS 112 5.741 -12.167 5.325 664 1HB LYS 112 HB2 LYS 112 6.326 -10.425 7.709 665 2HB LYS 112 HB3 LYS 112 5.080 -10.053 6.523 666 1HG LYS 112 HG2 LYS 112 3.972 -12.177 7.031 667 2HG LYS 112 HG3 LYS 112 5.211 -12.530 8.233 668 1HD LYS 112 HD2 LYS 112 4.533 -10.543 9.503 669 2HD LYS 112 HD3 LYS 112 3.287 -10.204 8.297 670 1HE LYS 112 HE2 LYS 112 2.265 -12.400 8.786 671 2HE LYS 112 HE3 LYS 112 3.473 -12.661 10.042 672 1HZ LYS 112 HZ1 LYS 112 1.323 -11.849 10.891 673 2HZ LYS 112 HZ2 LYS 112 1.535 -10.406 10.024 674 3HZ LYS 112 HZ3 LYS 112 2.606 -10.810 11.273 675 H GLY 113 HN GLY 113 8.680 -10.540 6.304 676 1HA GLY 113 HA1 GLY 113 10.222 -9.435 5.045 677 2HA GLY 113 HA2 GLY 113 9.421 -10.098 3.632 678 H ALA 114 HN ALA 114 8.819 -8.641 2.264 679 HA ALA 114 HA ALA 114 9.021 -5.882 2.781 680 1HB ALA 114 HB1 ALA 114 7.799 -7.303 0.418 681 2HB ALA 114 HB2 ALA 114 8.284 -5.605 0.475 682 3HB ALA 114 HB3 ALA 114 9.500 -6.876 0.605 683 H ALA 115 HN ALA 115 7.624 -4.803 4.002 684 HA ALA 115 HA ALA 115 4.752 -5.198 3.471 685 1HB ALA 115 HB1 ALA 115 5.966 -4.327 6.084 686 2HB ALA 115 HB2 ALA 115 4.262 -4.638 5.758 687 3HB ALA 115 HB3 ALA 115 5.425 -5.967 5.726 688 H LEU 116 HN LEU 116 3.574 -3.442 3.026 689 HA LEU 116 HA LEU 116 5.025 -0.947 2.630 690 1HB LEU 116 HB2 LEU 116 2.173 -1.600 1.898 691 2HB LEU 116 HB3 LEU 116 3.134 -0.252 1.319 692 HG LEU 116 HG LEU 116 3.696 -3.151 0.691 693 1HD1 LEU 116 HD11 LEU 116 2.905 -2.521 -1.581 694 2HD1 LEU 116 HD12 LEU 116 1.639 -2.522 -0.351 695 3HD1 LEU 116 HD13 LEU 116 2.328 -0.998 -0.905 696 1HD2 LEU 116 HD21 LEU 116 5.210 -2.226 -0.996 697 2HD2 LEU 116 HD22 LEU 116 4.867 -0.600 -0.406 698 3HD2 LEU 116 HD23 LEU 116 5.686 -1.759 0.636 699 H THR 117 HN THR 117 4.235 1.045 3.442 700 HA THR 117 HA THR 117 2.485 0.767 5.797 701 HB THR 117 HB THR 117 4.893 1.418 6.227 702 HG1 THR 117 HG1 THR 117 3.759 2.078 7.915 703 1HG2 THR 117 HG21 THR 117 5.528 3.727 5.765 704 2HG2 THR 117 HG22 THR 117 3.996 3.989 4.929 705 3HG2 THR 117 HG23 THR 117 5.181 2.862 4.267 706 H THR 118 HN THR 118 1.409 2.947 6.351 707 HA THR 118 HA THR 118 0.768 4.466 3.928 708 HB THR 118 HB THR 118 -1.637 4.507 4.673 709 HG1 THR 118 HG1 THR 118 -2.276 2.844 6.073 710 1HG2 THR 118 HG21 THR 118 -0.915 3.191 2.759 711 2HG2 THR 118 HG22 THR 118 -2.149 2.315 3.668 712 3HG2 THR 118 HG23 THR 118 -0.449 1.867 3.824 713 H PHE 119 HN PHE 119 2.210 4.916 6.681 714 HA PHE 119 HA PHE 119 0.724 7.202 7.633 715 1HB PHE 119 HB2 PHE 119 2.784 7.748 8.961 716 2HB PHE 119 HB3 PHE 119 2.091 6.172 9.295 717 HD1 PHE 119 HD1 PHE 119 3.557 4.477 9.624 718 HD2 PHE 119 HD2 PHE 119 4.685 7.647 7.022 719 HE1 PHE 119 HE1 PHE 119 5.778 3.459 9.349 720 HE2 PHE 119 HE2 PHE 119 6.903 6.628 6.732 721 HZ PHE 119 HZ PHE 119 7.454 4.532 7.900 722 H ILE 120 HN ILE 120 0.861 7.360 5.047 723 HA ILE 120 HA ILE 120 2.928 9.337 4.336 724 HB ILE 120 HB ILE 120 1.548 7.527 2.350 725 1HG1 ILE 120 HG12 ILE 120 4.196 6.850 3.629 726 2HG1 ILE 120 HG13 ILE 120 2.680 6.235 4.272 727 1HG2 ILE 120 HG21 ILE 120 4.197 8.971 2.362 728 2HG2 ILE 120 HG22 ILE 120 3.653 7.887 1.082 729 3HG2 ILE 120 HG23 ILE 120 2.772 9.378 1.407 730 1HD1 ILE 120 HD11 ILE 120 2.237 5.144 2.114 731 2HD1 ILE 120 HD12 ILE 120 3.795 5.721 1.523 732 3HD1 ILE 120 HD13 ILE 120 3.727 4.580 2.867 733 H SER 121 HN SER 121 1.996 10.611 2.281 734 HA SER 121 HA SER 121 -0.291 11.972 3.372 735 1HB SER 121 HB2 SER 121 1.799 13.049 2.376 736 2HB SER 121 HB3 SER 121 1.142 12.618 0.799 737 HG SER 121 HG SER 121 0.075 14.408 0.942 738 H LEU 122 HN LEU 122 -1.220 9.524 2.627 739 HA LEU 122 HA LEU 122 -2.743 10.107 0.176 740 1HB LEU 122 HB2 LEU 122 -2.006 7.434 1.342 741 2HB LEU 122 HB3 LEU 122 -3.140 7.660 0.027 742 HG LEU 122 HG LEU 122 -1.098 8.839 -1.126 743 1HD1 LEU 122 HD11 LEU 122 0.359 8.735 0.832 744 2HD1 LEU 122 HD12 LEU 122 0.231 6.974 0.831 745 3HD1 LEU 122 HD13 LEU 122 1.016 7.800 -0.513 746 1HD2 LEU 122 HD21 LEU 122 -1.169 5.843 -0.834 747 2HD2 LEU 122 HD22 LEU 122 -2.342 6.765 -1.778 748 3HD2 LEU 122 HD23 LEU 122 -0.638 6.789 -2.225 749 H ALA 123 HN ALA 123 -4.781 10.553 0.529 750 HA ALA 123 HA ALA 123 -6.633 8.755 1.312 751 1HB ALA 123 HB1 ALA 123 -5.824 8.832 3.612 752 2HB ALA 123 HB2 ALA 123 -6.112 10.575 3.669 753 3HB ALA 123 HB3 ALA 123 -7.470 9.458 3.504 754 H GLY 124 HN GLY 124 -6.013 11.021 -0.404 755 1HA GLY 124 HA1 GLY 124 -8.435 12.196 -0.908 756 2HA GLY 124 HA2 GLY 124 -7.668 13.248 0.274 757 H SER 125 HN SER 125 -6.717 11.473 -2.645 758 HA SER 125 HA SER 125 -5.004 13.737 -3.353 759 1HB SER 125 HB2 SER 125 -4.946 10.876 -4.352 760 2HB SER 125 HB3 SER 125 -3.783 12.139 -4.759 761 HG SER 125 HG SER 125 -3.230 10.604 -2.983
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