NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
277307 | 2kpu | 16570 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 -19.797 -1.488 -24.201 2 H2 SER 1 2H SER 1 -20.533 -0.370 -23.156 3 H3 SER 1 3H SER 1 -21.427 -1.072 -24.413 4 HA SER 1 HA SER 1 -21.253 -3.225 -23.412 5 HB2 SER 1 1HB SER 1 -19.830 -1.784 -21.159 6 HB3 SER 1 2HB SER 1 -20.206 -3.507 -21.231 7 HG SER 1 HG SER 1 -18.837 -3.621 -23.101 8 H SER 2 H SER 2 -21.419 -0.719 -20.867 9 HA SER 2 HA SER 2 -24.303 -1.267 -20.695 10 HB2 SER 2 1HB SER 2 -23.992 -0.379 -18.293 11 HB3 SER 2 2HB SER 2 -23.375 -1.990 -18.655 12 HG SER 2 HG SER 2 -21.952 -0.438 -17.470 13 H GLN 3 H GLN 3 -25.703 0.504 -20.215 14 HA GLN 3 HA GLN 3 -25.084 2.855 -21.680 15 HB2 GLN 3 1HB GLN 3 -27.337 2.349 -19.723 16 HB3 GLN 3 2HB GLN 3 -27.260 3.680 -20.870 17 HG2 GLN 3 1HG GLN 3 -27.333 2.121 -22.725 18 HG3 GLN 3 2HG GLN 3 -27.333 0.761 -21.604 19 HE21 GLN 3 2HE2 GLN 3 -29.271 1.503 -23.642 20 HE22 GLN 3 1HE2 GLN 3 -30.786 1.692 -22.817 21 H THR 4 H THR 4 -25.559 2.284 -18.206 22 HA THR 4 HA THR 4 -23.939 4.679 -17.662 23 HB THR 4 HB THR 4 -25.652 3.110 -15.719 24 HG1 THR 4 HG1 THR 4 -26.238 5.192 -17.497 25 HG21 THR 4 3HG2 THR 4 -23.844 4.364 -14.657 26 HG22 THR 4 1HG2 THR 4 -25.407 5.094 -14.292 27 HG23 THR 4 2HG2 THR 4 -24.351 5.828 -15.499 28 H LEU 5 H LEU 5 -21.837 4.158 -17.458 29 HA LEU 5 HA LEU 5 -20.925 1.560 -16.734 30 HB2 LEU 5 1HB LEU 5 -19.570 4.225 -17.044 31 HB3 LEU 5 2HB LEU 5 -18.699 2.851 -16.397 32 HG LEU 5 HG LEU 5 -18.200 3.089 -18.741 33 HD11 LEU 5 1HD1 LEU 5 -20.031 0.747 -18.257 34 HD12 LEU 5 2HD1 LEU 5 -18.311 0.827 -17.877 35 HD13 LEU 5 3HD1 LEU 5 -18.846 0.877 -19.557 36 HD21 LEU 5 3HD2 LEU 5 -19.902 2.905 -20.471 37 HD22 LEU 5 1HD2 LEU 5 -20.206 4.299 -19.434 38 HD23 LEU 5 2HD2 LEU 5 -21.162 2.830 -19.239 39 H ASP 6 H ASP 6 -19.773 0.974 -14.815 40 HA ASP 6 HA ASP 6 -21.112 1.790 -12.463 41 HB2 ASP 6 1HB ASP 6 -18.483 0.306 -12.587 42 HB3 ASP 6 2HB ASP 6 -19.643 0.308 -11.265 43 H ARG 7 H ARG 7 -18.157 2.755 -14.005 44 HA ARG 7 HA ARG 7 -16.780 4.535 -13.713 45 HB2 ARG 7 1HB ARG 7 -19.081 5.653 -13.511 46 HB3 ARG 7 2HB ARG 7 -18.807 5.647 -11.775 47 HG2 ARG 7 1HG ARG 7 -16.774 6.985 -12.107 48 HG3 ARG 7 2HG ARG 7 -17.100 7.022 -13.841 49 HD2 ARG 7 1HD ARG 7 -19.256 8.120 -13.382 50 HD3 ARG 7 2HD ARG 7 -18.862 8.134 -11.664 51 HE ARG 7 HE ARG 7 -17.058 9.467 -13.559 52 HH11 ARG 7 1HH1 ARG 7 -19.439 9.705 -10.992 53 HH12 ARG 7 2HH1 ARG 7 -19.008 11.343 -10.581 54 HH21 ARG 7 1HH2 ARG 7 -16.505 11.592 -13.046 55 HH22 ARG 7 2HH2 ARG 7 -17.319 12.420 -11.750 56 H ASP 8 H ASP 8 -16.494 2.224 -12.083 57 HA ASP 8 HA ASP 8 -15.368 3.369 -9.625 58 HB2 ASP 8 1HB ASP 8 -15.495 1.012 -8.731 59 HB3 ASP 8 2HB ASP 8 -17.046 1.784 -9.021 60 HA PRO 9 HA PRO 9 -11.736 2.200 -12.157 61 HB2 PRO 9 1HB PRO 9 -10.422 4.391 -10.746 62 HB3 PRO 9 2HB PRO 9 -10.702 4.192 -12.478 63 HG2 PRO 9 1HG PRO 9 -11.987 6.059 -10.992 64 HG3 PRO 9 2HG PRO 9 -12.718 5.291 -12.412 65 HD2 PRO 9 1HD PRO 9 -13.148 4.702 -9.508 66 HD3 PRO 9 2HD PRO 9 -14.332 4.778 -10.831 67 H THR 10 H THR 10 -9.819 1.191 -11.558 68 HA THR 10 HA THR 10 -9.499 0.704 -8.678 69 HB THR 10 HB THR 10 -8.392 -0.937 -10.969 70 HG1 THR 10 HG1 THR 10 -10.884 -0.774 -10.130 71 HG21 THR 10 3HG2 THR 10 -8.012 -2.631 -9.232 72 HG22 THR 10 1HG2 THR 10 -8.612 -1.511 -8.008 73 HG23 THR 10 2HG2 THR 10 -7.125 -1.147 -8.884 74 H LEU 11 H LEU 11 -7.959 1.888 -7.779 75 HA LEU 11 HA LEU 11 -5.869 3.035 -9.452 76 HB2 LEU 11 1HB LEU 11 -6.587 3.522 -6.561 77 HB3 LEU 11 2HB LEU 11 -5.333 4.376 -7.441 78 HG LEU 11 HG LEU 11 -8.259 4.419 -8.162 79 HD11 LEU 11 1HD1 LEU 11 -6.577 6.482 -6.745 80 HD12 LEU 11 2HD1 LEU 11 -7.877 5.526 -6.030 81 HD13 LEU 11 3HD1 LEU 11 -8.240 6.707 -7.289 82 HD21 LEU 11 3HD2 LEU 11 -7.622 6.264 -9.631 83 HD22 LEU 11 1HD2 LEU 11 -6.787 4.773 -10.068 84 HD23 LEU 11 2HD2 LEU 11 -5.931 6.036 -9.184 85 H THR 12 H THR 12 -3.867 2.339 -9.499 86 HA THR 12 HA THR 12 -3.096 0.204 -7.637 87 HB THR 12 HB THR 12 -1.600 0.903 -10.151 88 HG1 THR 12 HG1 THR 12 -3.902 -0.792 -9.926 89 HG21 THR 12 3HG2 THR 12 -0.568 -0.676 -8.593 90 HG22 THR 12 1HG2 THR 12 -1.039 -1.486 -10.088 91 HG23 THR 12 2HG2 THR 12 -2.019 -1.676 -8.635 92 H LEU 13 H LEU 13 -2.106 1.097 -5.910 93 HA LEU 13 HA LEU 13 -0.241 3.328 -6.365 94 HB2 LEU 13 1HB LEU 13 -1.471 2.366 -3.776 95 HB3 LEU 13 2HB LEU 13 -0.397 3.738 -3.941 96 HG LEU 13 HG LEU 13 -2.485 4.716 -3.760 97 HD11 LEU 13 1HD1 LEU 13 -1.294 5.608 -5.677 98 HD12 LEU 13 2HD1 LEU 13 -3.039 5.653 -5.937 99 HD13 LEU 13 3HD1 LEU 13 -2.060 4.413 -6.724 100 HD21 LEU 13 3HD2 LEU 13 -4.496 3.956 -4.925 101 HD22 LEU 13 1HD2 LEU 13 -3.822 2.702 -3.883 102 HD23 LEU 13 2HD2 LEU 13 -3.579 2.622 -5.627 103 H SER 14 H SER 14 1.871 3.216 -5.691 104 HA SER 14 HA SER 14 2.999 0.608 -5.266 105 HB2 SER 14 1HB SER 14 4.367 3.294 -4.949 106 HB3 SER 14 2HB SER 14 5.123 1.737 -5.284 107 HG SER 14 HG SER 14 3.585 1.885 -7.254 108 H LEU 15 H LEU 15 3.874 -0.206 -3.365 109 HA LEU 15 HA LEU 15 2.912 1.030 -0.914 110 HB2 LEU 15 1HB LEU 15 2.633 -1.392 -1.252 111 HB3 LEU 15 2HB LEU 15 4.372 -1.577 -1.377 112 HG LEU 15 HG LEU 15 4.565 -0.757 0.980 113 HD11 LEU 15 1HD1 LEU 15 1.566 -1.049 0.940 114 HD12 LEU 15 2HD1 LEU 15 2.461 0.461 1.107 115 HD13 LEU 15 3HD1 LEU 15 2.556 -0.765 2.371 116 HD21 LEU 15 3HD2 LEU 15 3.795 -2.854 1.992 117 HD22 LEU 15 1HD2 LEU 15 4.643 -3.130 0.471 118 HD23 LEU 15 2HD2 LEU 15 2.883 -3.219 0.527 119 H ILE 16 H ILE 16 4.143 2.227 0.390 120 HA ILE 16 HA ILE 16 7.068 2.111 0.024 121 HB ILE 16 HB ILE 16 7.206 4.492 0.571 122 HG12 ILE 16 1HG1 ILE 16 4.185 4.521 0.407 123 HG13 ILE 16 2HG1 ILE 16 5.094 4.574 1.913 124 HG21 ILE 16 1HG2 ILE 16 5.352 3.901 -1.732 125 HG22 ILE 16 2HG2 ILE 16 7.115 3.853 -1.765 126 HG23 ILE 16 3HG2 ILE 16 6.279 5.387 -1.520 127 HD11 ILE 16 3HD1 ILE 16 4.354 6.786 1.262 128 HD12 ILE 16 1HD1 ILE 16 5.192 6.630 -0.283 129 HD13 ILE 16 2HD1 ILE 16 6.114 6.682 1.221 130 H ALA 17 H ALA 17 8.213 3.140 1.961 131 HA ALA 17 HA ALA 17 6.999 2.049 4.415 132 HB1 ALA 17 3HB ALA 17 9.899 2.571 3.756 133 HB2 ALA 17 1HB ALA 17 9.097 0.999 3.731 134 HB3 ALA 17 2HB ALA 17 9.288 1.866 5.254 135 H LYS 18 H LYS 18 6.343 3.489 5.921 136 HA LYS 18 HA LYS 18 7.428 6.224 5.739 137 HB2 LYS 18 1HB LYS 18 5.013 5.993 5.121 138 HB3 LYS 18 2HB LYS 18 4.692 5.438 6.758 139 HG2 LYS 18 1HG LYS 18 5.412 7.561 7.660 140 HG3 LYS 18 2HG LYS 18 5.860 8.121 6.049 141 HD2 LYS 18 1HD LYS 18 3.495 7.890 5.354 142 HD3 LYS 18 2HD LYS 18 3.081 7.442 7.011 143 HE2 LYS 18 1HE LYS 18 3.886 9.599 7.807 144 HE3 LYS 18 2HE LYS 18 4.351 10.044 6.165 145 HZ1 LYS 18 3HZ LYS 18 2.246 11.039 6.753 146 HZ2 LYS 18 1HZ LYS 18 1.581 9.524 7.116 147 HZ3 LYS 18 2HZ LYS 18 2.012 9.900 5.522 148 H ASN 19 H ASN 19 8.081 7.251 7.561 149 HA ASN 19 HA ASN 19 9.074 7.454 9.586 150 HB2 ASN 19 1HB ASN 19 6.594 7.358 10.227 151 HB3 ASN 19 2HB ASN 19 6.895 5.690 10.708 152 HD21 ASN 19 2HD2 ASN 19 6.488 6.077 12.880 153 HD22 ASN 19 1HD2 ASN 19 7.566 6.999 13.873 154 H THR 20 H THR 20 9.922 5.338 7.904 155 HA THR 20 HA THR 20 10.405 3.036 9.605 156 HB THR 20 HB THR 20 11.176 3.578 6.732 157 HG1 THR 20 HG1 THR 20 8.852 2.915 7.898 158 HG21 THR 20 3HG2 THR 20 11.239 1.003 8.315 159 HG22 THR 20 1HG2 THR 20 12.650 1.922 7.791 160 HG23 THR 20 2HG2 THR 20 11.595 1.170 6.595 161 HA PRO 21 HA PRO 21 14.401 4.822 10.733 162 HB2 PRO 21 1HB PRO 21 14.637 2.452 12.422 163 HB3 PRO 21 2HB PRO 21 14.552 4.150 12.895 164 HG2 PRO 21 1HG PRO 21 12.545 2.397 13.377 165 HG3 PRO 21 2HG PRO 21 12.264 4.123 13.079 166 HD2 PRO 21 1HD PRO 21 11.961 1.801 11.212 167 HD3 PRO 21 2HD PRO 21 10.918 3.225 11.418 168 H ALA 22 H ALA 22 16.631 3.993 10.668 169 HA ALA 22 HA ALA 22 16.955 2.199 8.423 170 HB1 ALA 22 3HB ALA 22 19.314 2.779 8.544 171 HB2 ALA 22 1HB ALA 22 19.050 3.603 10.081 172 HB3 ALA 22 2HB ALA 22 18.316 4.232 8.605 173 H ASN 23 H ASN 23 16.863 1.923 11.792 174 HA ASN 23 HA ASN 23 18.570 -0.311 12.165 175 HB2 ASN 23 1HB ASN 23 16.113 0.535 13.722 176 HB3 ASN 23 2HB ASN 23 17.247 -0.708 14.238 177 HD21 ASN 23 2HD2 ASN 23 16.501 1.769 15.540 178 HD22 ASN 23 1HD2 ASN 23 17.956 2.678 15.743 179 H SER 24 H SER 24 15.233 0.072 11.198 180 HA SER 24 HA SER 24 14.901 -2.809 10.909 181 HB2 SER 24 1HB SER 24 12.545 -2.089 10.211 182 HB3 SER 24 2HB SER 24 12.997 -1.767 11.885 183 HG SER 24 HG SER 24 13.309 0.152 9.821 184 H MET 25 H MET 25 15.884 -3.544 9.115 185 HA MET 25 HA MET 25 15.832 -1.835 6.729 186 HB2 MET 25 1HB MET 25 18.055 -2.494 7.573 187 HB3 MET 25 2HB MET 25 17.622 -4.187 7.372 188 HG2 MET 25 1HG MET 25 17.478 -3.921 4.990 189 HG3 MET 25 2HG MET 25 17.739 -2.184 5.132 190 HE1 MET 25 3HE MET 25 20.951 -5.340 6.157 191 HE2 MET 25 1HE MET 25 19.323 -5.742 5.612 192 HE3 MET 25 2HE MET 25 19.566 -5.006 7.196 193 H ILE 26 H ILE 26 14.282 -2.293 5.363 194 HA ILE 26 HA ILE 26 12.943 -4.823 5.316 195 HB ILE 26 HB ILE 26 12.694 -2.634 3.250 196 HG12 ILE 26 1HG1 ILE 26 11.199 -2.888 5.872 197 HG13 ILE 26 2HG1 ILE 26 12.427 -1.677 5.514 198 HG21 ILE 26 1HG2 ILE 26 10.783 -4.765 4.207 199 HG22 ILE 26 2HG2 ILE 26 11.633 -4.734 2.662 200 HG23 ILE 26 3HG2 ILE 26 10.408 -3.517 3.019 201 HD11 ILE 26 3HD1 ILE 26 11.006 -0.759 3.754 202 HD12 ILE 26 1HD1 ILE 26 10.193 -0.752 5.319 203 HD13 ILE 26 2HD1 ILE 26 9.778 -1.972 4.116 204 H MET 27 H MET 27 13.861 -6.564 4.407 205 HA MET 27 HA MET 27 15.498 -6.205 1.999 206 HB2 MET 27 1HB MET 27 15.173 -8.566 3.857 207 HB3 MET 27 2HB MET 27 16.101 -8.624 2.364 208 HG2 MET 27 1HG MET 27 17.525 -6.795 3.238 209 HG3 MET 27 2HG MET 27 16.645 -6.891 4.762 210 HE1 MET 27 3HE MET 27 19.252 -10.304 3.068 211 HE2 MET 27 1HE MET 27 19.058 -8.737 2.283 212 HE3 MET 27 2HE MET 27 17.693 -9.850 2.378 213 H THR 28 H THR 28 12.429 -6.364 2.527 214 HA THR 28 HA THR 28 11.790 -8.302 0.417 215 HB THR 28 HB THR 28 9.833 -6.848 2.207 216 HG1 THR 28 HG1 THR 28 11.530 -8.938 2.773 217 HG21 THR 28 3HG2 THR 28 8.891 -7.846 0.179 218 HG22 THR 28 1HG2 THR 28 8.345 -8.708 1.618 219 HG23 THR 28 2HG2 THR 28 9.611 -9.399 0.603 220 H LYS 29 H LYS 29 11.564 -7.468 -1.574 221 HA LYS 29 HA LYS 29 11.529 -4.715 -2.143 222 HB2 LYS 29 1HB LYS 29 10.723 -7.091 -3.825 223 HB3 LYS 29 2HB LYS 29 10.828 -5.451 -4.449 224 HG2 LYS 29 1HG LYS 29 13.121 -6.946 -3.196 225 HG3 LYS 29 2HG LYS 29 12.823 -6.823 -4.932 226 HD2 LYS 29 1HD LYS 29 13.038 -4.402 -4.813 227 HD3 LYS 29 2HD LYS 29 13.279 -4.495 -3.068 228 HE2 LYS 29 1HE LYS 29 15.347 -5.676 -3.358 229 HE3 LYS 29 2HE LYS 29 15.076 -5.816 -5.094 230 HZ1 LYS 29 3HZ LYS 29 16.659 -4.036 -4.425 231 HZ2 LYS 29 1HZ LYS 29 15.372 -3.216 -3.687 232 HZ3 LYS 29 2HZ LYS 29 15.361 -3.486 -5.362 233 H LEU 30 H LEU 30 9.913 -3.275 -2.576 234 HA LEU 30 HA LEU 30 7.446 -3.916 -1.222 235 HB2 LEU 30 1HB LEU 30 8.445 -1.332 -2.417 236 HB3 LEU 30 2HB LEU 30 6.973 -1.498 -1.478 237 HG LEU 30 HG LEU 30 9.766 -2.023 -0.452 238 HD11 LEU 30 1HD1 LEU 30 7.871 0.252 0.110 239 HD12 LEU 30 2HD1 LEU 30 9.350 0.350 -0.844 240 HD13 LEU 30 3HD1 LEU 30 9.435 -0.009 0.881 241 HD21 LEU 30 3HD2 LEU 30 8.687 -2.193 1.739 242 HD22 LEU 30 1HD2 LEU 30 8.108 -3.438 0.632 243 HD23 LEU 30 2HD2 LEU 30 7.108 -2.026 0.972 244 HA PRO 31 HA PRO 31 5.336 -4.676 -5.067 245 HB2 PRO 31 1HB PRO 31 3.081 -5.643 -4.010 246 HB3 PRO 31 2HB PRO 31 4.597 -6.549 -3.920 247 HG2 PRO 31 1HG PRO 31 3.240 -4.907 -1.823 248 HG3 PRO 31 2HG PRO 31 4.078 -6.461 -1.662 249 HD2 PRO 31 1HD PRO 31 5.176 -3.990 -1.058 250 HD3 PRO 31 2HD PRO 31 6.107 -5.459 -1.407 251 H SER 32 H SER 32 2.664 -4.420 -5.421 252 HA SER 32 HA SER 32 2.088 -1.603 -4.821 253 HB2 SER 32 1HB SER 32 2.848 -1.993 -7.191 254 HB3 SER 32 2HB SER 32 1.432 -3.017 -7.418 255 HG SER 32 HG SER 32 0.942 -0.496 -6.367 256 H VAL 33 H VAL 33 -0.059 -1.088 -4.430 257 HA VAL 33 HA VAL 33 -1.790 -3.397 -3.873 258 HB VAL 33 HB VAL 33 -1.158 -1.861 -1.980 259 HG11 VAL 33 1HG1 VAL 33 -2.305 0.291 -1.793 260 HG12 VAL 33 2HG1 VAL 33 -2.919 0.099 -3.435 261 HG13 VAL 33 3HG1 VAL 33 -1.185 0.253 -3.156 262 HG21 VAL 33 3HG2 VAL 33 -3.105 -3.292 -1.822 263 HG22 VAL 33 1HG2 VAL 33 -4.094 -2.072 -2.624 264 HG23 VAL 33 2HG2 VAL 33 -3.410 -1.747 -1.030 265 H ARG 34 H ARG 34 -3.944 -3.404 -4.606 266 HA ARG 34 HA ARG 34 -4.506 -1.424 -6.719 267 HB2 ARG 34 1HB ARG 34 -5.559 -4.247 -6.721 268 HB3 ARG 34 2HB ARG 34 -5.503 -3.104 -8.056 269 HG2 ARG 34 1HG ARG 34 -3.039 -3.268 -8.042 270 HG3 ARG 34 2HG ARG 34 -3.160 -4.497 -6.782 271 HD2 ARG 34 1HD ARG 34 -4.030 -4.643 -9.647 272 HD3 ARG 34 2HD ARG 34 -2.944 -5.715 -8.765 273 HE ARG 34 HE ARG 34 -5.851 -5.758 -8.757 274 HH11 ARG 34 1HH1 ARG 34 -2.897 -6.925 -7.265 275 HH12 ARG 34 2HH1 ARG 34 -3.644 -8.357 -6.634 276 HH21 ARG 34 1HH2 ARG 34 -6.835 -7.611 -7.906 277 HH22 ARG 34 2HH2 ARG 34 -5.890 -8.748 -6.977 278 H VAL 35 H VAL 35 -5.898 -0.059 -5.741 279 HA VAL 35 HA VAL 35 -7.936 -1.207 -3.982 280 HB VAL 35 HB VAL 35 -8.253 1.014 -3.062 281 HG11 VAL 35 1HG1 VAL 35 -5.318 0.355 -3.264 282 HG12 VAL 35 2HG1 VAL 35 -6.462 -0.398 -2.159 283 HG13 VAL 35 3HG1 VAL 35 -6.092 1.318 -2.005 284 HG21 VAL 35 3HG2 VAL 35 -6.171 1.941 -5.040 285 HG22 VAL 35 1HG2 VAL 35 -6.869 2.912 -3.743 286 HG23 VAL 35 2HG2 VAL 35 -7.888 2.350 -5.068 287 H LYS 36 H LYS 36 -9.984 -1.314 -4.551 288 HA LYS 36 HA LYS 36 -10.922 -0.152 -7.020 289 HB2 LYS 36 1HB LYS 36 -11.649 -2.404 -6.130 290 HB3 LYS 36 2HB LYS 36 -12.498 -1.557 -4.847 291 HG2 LYS 36 1HG LYS 36 -13.917 -0.461 -6.510 292 HG3 LYS 36 2HG LYS 36 -13.067 -1.325 -7.795 293 HD2 LYS 36 1HD LYS 36 -13.747 -3.464 -6.734 294 HD3 LYS 36 2HD LYS 36 -14.692 -2.542 -5.566 295 HE2 LYS 36 1HE LYS 36 -16.052 -1.630 -7.372 296 HE3 LYS 36 2HE LYS 36 -15.093 -2.520 -8.554 297 HZ1 LYS 36 3HZ LYS 36 -16.731 -3.744 -6.394 298 HZ2 LYS 36 1HZ LYS 36 -15.829 -4.589 -7.557 299 HZ3 LYS 36 2HZ LYS 36 -17.167 -3.659 -8.031 300 H THR 37 H THR 37 -11.855 1.834 -7.167 301 HA THR 37 HA THR 37 -12.579 3.125 -4.624 302 HB THR 37 HB THR 37 -11.708 5.271 -5.721 303 HG1 THR 37 HG1 THR 37 -11.251 3.600 -7.714 304 HG21 THR 37 3HG2 THR 37 -9.764 3.101 -4.926 305 HG22 THR 37 1HG2 THR 37 -10.592 4.211 -3.833 306 HG23 THR 37 2HG2 THR 37 -9.403 4.827 -4.981 307 H GLU 38 H GLU 38 -14.396 4.301 -4.565 308 HA GLU 38 HA GLU 38 -15.954 4.573 -7.022 309 HB2 GLU 38 1HB GLU 38 -16.664 5.050 -4.126 310 HB3 GLU 38 2HB GLU 38 -17.734 5.459 -5.458 311 HG2 GLU 38 1HG GLU 38 -17.624 3.049 -6.149 312 HG3 GLU 38 2HG GLU 38 -16.789 2.733 -4.627 313 H GLY 39 H GLY 39 -14.825 6.137 -8.064 314 HA2 GLY 39 1HA GLY 39 -15.474 8.762 -7.855 315 HA3 GLY 39 2HA GLY 39 -14.078 8.602 -6.792 316 H TYR 40 H TYR 40 -14.588 9.875 -9.530 317 HA TYR 40 HA TYR 40 -12.601 8.351 -11.068 318 HB2 TYR 40 1HB TYR 40 -14.959 8.898 -12.009 319 HB3 TYR 40 2HB TYR 40 -14.323 10.526 -12.233 320 HD1 TYR 40 HD1 TYR 40 -13.913 6.993 -13.198 321 HD2 TYR 40 HD2 TYR 40 -12.815 11.018 -14.026 322 HE1 TYR 40 HE1 TYR 40 -12.890 6.271 -15.310 323 HE2 TYR 40 HE2 TYR 40 -11.789 10.307 -16.147 324 HH TYR 40 HH TYR 40 -12.271 7.174 -17.455 325 H ASN 41 H ASN 41 -10.719 9.267 -11.703 326 HA ASN 41 HA ASN 41 -10.303 12.088 -11.045 327 HB2 ASN 41 1HB ASN 41 -8.099 11.522 -10.018 328 HB3 ASN 41 2HB ASN 41 -9.478 10.934 -9.103 329 HD21 ASN 41 2HD2 ASN 41 -9.901 8.696 -9.056 330 HD22 ASN 41 1HD2 ASN 41 -8.680 7.544 -9.461 331 HA PRO 42 HA PRO 42 -8.233 11.560 -15.019 332 HB2 PRO 42 1HB PRO 42 -8.998 13.899 -16.077 333 HB3 PRO 42 2HB PRO 42 -10.101 12.522 -15.998 334 HG2 PRO 42 1HG PRO 42 -10.006 14.976 -14.316 335 HG3 PRO 42 2HG PRO 42 -11.406 14.029 -14.849 336 HD2 PRO 42 1HD PRO 42 -10.162 13.890 -12.334 337 HD3 PRO 42 2HD PRO 42 -11.330 12.730 -12.990 338 H SER 43 H SER 43 -7.950 13.695 -12.410 339 HA SER 43 HA SER 43 -5.543 14.948 -13.529 340 HB2 SER 43 1HB SER 43 -5.996 16.632 -11.611 341 HB3 SER 43 2HB SER 43 -7.035 16.684 -13.037 342 HG SER 43 HG SER 43 -7.710 16.241 -10.476 343 H ILE 44 H ILE 44 -6.903 13.547 -10.555 344 HA ILE 44 HA ILE 44 -4.616 13.669 -8.968 345 HB ILE 44 HB ILE 44 -6.759 11.532 -8.906 346 HG12 ILE 44 1HG1 ILE 44 -6.553 14.165 -7.422 347 HG13 ILE 44 2HG1 ILE 44 -7.693 13.797 -8.711 348 HG21 ILE 44 1HG2 ILE 44 -4.766 10.887 -7.661 349 HG22 ILE 44 2HG2 ILE 44 -6.101 11.237 -6.564 350 HG23 ILE 44 3HG2 ILE 44 -4.807 12.415 -6.781 351 HD11 ILE 44 3HD1 ILE 44 -7.591 12.470 -6.013 352 HD12 ILE 44 1HD1 ILE 44 -8.733 12.096 -7.304 353 HD13 ILE 44 2HD1 ILE 44 -8.756 13.684 -6.537 354 H ASN 45 H ASN 45 -2.838 12.407 -8.725 355 HA ASN 45 HA ASN 45 -2.362 10.465 -10.878 356 HB2 ASN 45 1HB ASN 45 -0.398 11.897 -9.072 357 HB3 ASN 45 2HB ASN 45 0.032 10.801 -10.379 358 HD21 ASN 45 2HD2 ASN 45 -2.033 11.772 -12.166 359 HD22 ASN 45 1HD2 ASN 45 -1.530 13.339 -12.698 360 H VAL 46 H VAL 46 -1.555 8.407 -10.455 361 HA VAL 46 HA VAL 46 -2.093 7.342 -7.825 362 HB VAL 46 HB VAL 46 -1.377 5.167 -8.780 363 HG11 VAL 46 1HG1 VAL 46 -3.709 5.858 -8.932 364 HG12 VAL 46 2HG1 VAL 46 -3.237 4.926 -10.353 365 HG13 VAL 46 3HG1 VAL 46 -3.375 6.681 -10.456 366 HG21 VAL 46 3HG2 VAL 46 0.293 5.960 -10.356 367 HG22 VAL 46 1HG2 VAL 46 -0.960 6.762 -11.303 368 HG23 VAL 46 2HG2 VAL 46 -0.933 5.002 -11.187 369 H ASN 47 H ASN 47 0.487 8.840 -9.319 370 HA ASN 47 HA ASN 47 2.472 7.712 -7.501 371 HB2 ASN 47 1HB ASN 47 3.177 8.303 -9.780 372 HB3 ASN 47 2HB ASN 47 2.658 9.965 -9.524 373 HD21 ASN 47 2HD2 ASN 47 5.034 7.546 -8.753 374 HD22 ASN 47 1HD2 ASN 47 6.224 8.640 -8.120 375 H GLU 48 H GLU 48 0.183 10.211 -7.705 376 HA GLU 48 HA GLU 48 1.362 11.938 -5.722 377 HB2 GLU 48 1HB GLU 48 -0.045 12.878 -7.477 378 HB3 GLU 48 2HB GLU 48 -1.386 11.857 -6.988 379 HG2 GLU 48 1HG GLU 48 -1.586 13.047 -4.907 380 HG3 GLU 48 2HG GLU 48 -0.157 14.010 -5.285 381 H LEU 49 H LEU 49 -0.995 9.380 -5.928 382 HA LEU 49 HA LEU 49 -1.506 9.454 -3.055 383 HB2 LEU 49 1HB LEU 49 -2.517 7.476 -5.098 384 HB3 LEU 49 2HB LEU 49 -3.142 7.743 -3.483 385 HG LEU 49 HG LEU 49 -3.280 9.781 -5.700 386 HD11 LEU 49 1HD1 LEU 49 -4.584 7.826 -6.288 387 HD12 LEU 49 2HD1 LEU 49 -5.649 9.162 -5.847 388 HD13 LEU 49 3HD1 LEU 49 -5.365 7.848 -4.706 389 HD21 LEU 49 3HD2 LEU 49 -4.906 10.870 -4.234 390 HD22 LEU 49 1HD2 LEU 49 -3.328 10.736 -3.458 391 HD23 LEU 49 2HD2 LEU 49 -4.628 9.634 -3.006 392 H PHE 50 H PHE 50 -0.649 7.944 -1.647 393 HA PHE 50 HA PHE 50 0.901 5.755 -2.832 394 HB2 PHE 50 1HB PHE 50 1.853 7.762 -0.819 395 HB3 PHE 50 2HB PHE 50 2.518 6.134 -0.827 396 HD1 PHE 50 HD2 PHE 50 3.053 5.364 -3.415 397 HD2 PHE 50 HD1 PHE 50 3.178 9.314 -1.838 398 HE1 PHE 50 HE2 PHE 50 4.647 6.011 -5.174 399 HE2 PHE 50 HE1 PHE 50 4.773 9.968 -3.592 400 HZ PHE 50 HZ PHE 50 5.510 8.314 -5.262 401 H ALA 51 H ALA 51 1.099 3.904 -1.616 402 HA ALA 51 HA ALA 51 -0.582 3.745 0.796 403 HB1 ALA 51 3HB ALA 51 -1.282 2.238 -1.005 404 HB2 ALA 51 1HB ALA 51 -0.676 1.332 0.381 405 HB3 ALA 51 2HB ALA 51 0.334 1.536 -1.050 406 H TYR 52 H TYR 52 0.476 3.445 2.688 407 HA TYR 52 HA TYR 52 3.325 2.732 2.480 408 HB2 TYR 52 1HB TYR 52 3.735 4.244 4.411 409 HB3 TYR 52 2HB TYR 52 3.189 5.085 2.967 410 HD1 TYR 52 HD1 TYR 52 0.983 6.128 2.901 411 HD2 TYR 52 HD2 TYR 52 2.359 4.133 6.398 412 HE1 TYR 52 HE1 TYR 52 -0.799 7.204 4.210 413 HE2 TYR 52 HE2 TYR 52 0.580 5.202 7.715 414 HH TYR 52 HH TYR 52 -2.039 6.837 6.283 415 H VAL 53 H VAL 53 4.276 1.735 4.302 416 HA VAL 53 HA VAL 53 2.354 0.448 6.116 417 HB VAL 53 HB VAL 53 4.210 -1.205 6.575 418 HG11 VAL 53 1HG1 VAL 53 3.807 -2.508 4.533 419 HG12 VAL 53 2HG1 VAL 53 3.137 -1.072 3.759 420 HG13 VAL 53 3HG1 VAL 53 2.328 -1.780 5.157 421 HG21 VAL 53 3HG2 VAL 53 5.975 -1.436 4.884 422 HG22 VAL 53 1HG2 VAL 53 6.094 0.099 5.745 423 HG23 VAL 53 2HG2 VAL 53 5.425 0.052 4.113 424 H ASP 54 H ASP 54 2.386 1.096 8.134 425 HA ASP 54 HA ASP 54 4.294 3.066 8.981 426 HB2 ASP 54 1HB ASP 54 1.990 3.339 9.663 427 HB3 ASP 54 2HB ASP 54 1.988 1.754 10.432 428 H LEU 55 H LEU 55 6.246 2.479 9.602 429 HA LEU 55 HA LEU 55 6.543 -0.043 11.077 430 HB2 LEU 55 1HB LEU 55 8.584 1.555 9.531 431 HB3 LEU 55 2HB LEU 55 8.934 0.090 10.430 432 HG LEU 55 HG LEU 55 7.199 0.344 7.974 433 HD11 LEU 55 1HD1 LEU 55 9.590 0.311 7.534 434 HD12 LEU 55 2HD1 LEU 55 8.831 -1.189 6.999 435 HD13 LEU 55 3HD1 LEU 55 9.758 -1.156 8.499 436 HD21 LEU 55 3HD2 LEU 55 6.175 -1.221 9.532 437 HD22 LEU 55 1HD2 LEU 55 7.707 -2.078 9.694 438 HD23 LEU 55 2HD2 LEU 55 6.861 -2.068 8.146 439 H SER 56 H SER 56 5.675 2.537 12.181 440 HA SER 56 HA SER 56 7.636 3.711 13.780 441 HB2 SER 56 1HB SER 56 4.718 3.229 14.431 442 HB3 SER 56 2HB SER 56 5.776 4.368 15.262 443 HG SER 56 HG SER 56 4.637 4.509 12.699 444 H GLY 57 H GLY 57 5.564 0.912 14.350 445 HA2 GLY 57 1HA GLY 57 7.121 0.158 16.704 446 HA3 GLY 57 2HA GLY 57 5.696 -0.670 16.083 447 H SER 58 H SER 58 9.126 -0.206 15.713 448 HA SER 58 HA SER 58 9.419 -1.809 13.396 449 HB2 SER 58 1HB SER 58 11.902 -1.697 14.172 450 HB3 SER 58 2HB SER 58 11.094 -0.211 13.669 451 HG SER 58 HG SER 58 11.406 -1.126 16.352 452 H GLU 59 H GLU 59 8.449 -3.807 13.819 453 HA GLU 59 HA GLU 59 9.807 -5.501 15.788 454 HB2 GLU 59 1HB GLU 59 7.301 -6.009 14.173 455 HB3 GLU 59 2HB GLU 59 7.979 -7.106 15.368 456 HG2 GLU 59 1HG GLU 59 7.635 -5.429 17.108 457 HG3 GLU 59 2HG GLU 59 6.948 -4.333 15.910 458 HA PRO 60 HA PRO 60 12.180 -6.880 12.218 459 HB2 PRO 60 1HB PRO 60 13.643 -8.410 14.257 460 HB3 PRO 60 2HB PRO 60 14.236 -7.176 13.141 461 HG2 PRO 60 1HG PRO 60 14.010 -6.704 15.776 462 HG3 PRO 60 2HG PRO 60 13.704 -5.441 14.569 463 HD2 PRO 60 1HD PRO 60 11.739 -7.120 16.093 464 HD3 PRO 60 2HD PRO 60 11.693 -5.378 15.737 465 H GLY 61 H GLY 61 12.416 -8.819 11.132 466 HA2 GLY 61 1HA GLY 61 12.248 -11.238 11.055 467 HA3 GLY 61 2HA GLY 61 10.983 -11.131 12.275 468 H GLU 62 H GLU 62 10.194 -12.575 10.291 469 HA GLU 62 HA GLU 62 8.983 -10.999 8.193 470 HB2 GLU 62 1HB GLU 62 9.747 -13.419 7.945 471 HB3 GLU 62 2HB GLU 62 8.350 -13.866 8.915 472 HG2 GLU 62 1HG GLU 62 6.886 -12.812 7.242 473 HG3 GLU 62 2HG GLU 62 8.303 -12.455 6.258 474 H HIS 63 H HIS 63 7.413 -9.650 8.817 475 HA HIS 63 HA HIS 63 5.373 -10.664 10.686 476 HB2 HIS 63 1HB HIS 63 7.066 -9.174 11.800 477 HB3 HIS 63 2HB HIS 63 6.552 -7.873 10.733 478 HD1 HIS 63 HD1 HIS 63 5.353 -9.961 13.635 479 HD2 HIS 63 HD2 HIS 63 4.229 -6.577 11.494 480 HE1 HIS 63 HE1 HIS 63 3.532 -8.874 14.986 481 HE2 HIS 63 HE2 HIS 63 2.977 -6.752 13.750 482 H ASP 64 H ASP 64 3.279 -9.980 10.326 483 HA ASP 64 HA ASP 64 2.747 -8.993 7.663 484 HB2 ASP 64 1HB ASP 64 0.862 -9.756 9.907 485 HB3 ASP 64 2HB ASP 64 0.359 -9.324 8.277 486 H TYR 65 H TYR 65 2.421 -6.942 7.138 487 HA TYR 65 HA TYR 65 1.609 -5.070 9.264 488 HB2 TYR 65 1HB TYR 65 3.568 -4.657 7.004 489 HB3 TYR 65 2HB TYR 65 2.831 -3.311 7.868 490 HD1 TYR 65 HD2 TYR 65 3.270 -3.033 10.310 491 HD2 TYR 65 HD1 TYR 65 5.372 -5.887 7.956 492 HE1 TYR 65 HE2 TYR 65 4.991 -3.195 12.057 493 HE2 TYR 65 HE1 TYR 65 7.099 -6.060 9.700 494 HH TYR 65 HH TYR 65 7.969 -4.887 11.558 495 H GLU 66 H GLU 66 0.256 -3.342 8.639 496 HA GLU 66 HA GLU 66 -1.634 -4.149 6.602 497 HB2 GLU 66 1HB GLU 66 -2.521 -3.438 8.732 498 HB3 GLU 66 2HB GLU 66 -1.663 -1.907 8.626 499 HG2 GLU 66 1HG GLU 66 -3.031 -1.269 6.709 500 HG3 GLU 66 2HG GLU 66 -3.889 -2.807 6.810 501 H VAL 67 H VAL 67 -1.914 -3.232 4.672 502 HA VAL 67 HA VAL 67 -0.124 -1.161 3.770 503 HB VAL 67 HB VAL 67 -2.490 -2.430 2.368 504 HG11 VAL 67 1HG1 VAL 67 -1.503 -1.546 0.313 505 HG12 VAL 67 2HG1 VAL 67 -0.245 -0.750 1.257 506 HG13 VAL 67 3HG1 VAL 67 -1.926 -0.248 1.431 507 HG21 VAL 67 3HG2 VAL 67 -0.771 -4.064 2.906 508 HG22 VAL 67 1HG2 VAL 67 0.458 -3.036 2.170 509 HG23 VAL 67 2HG2 VAL 67 -0.808 -3.752 1.171 510 H LYS 68 H LYS 68 -0.498 0.846 4.485 511 HA LYS 68 HA LYS 68 -3.271 1.722 4.850 512 HB2 LYS 68 1HB LYS 68 -0.679 2.964 5.793 513 HB3 LYS 68 2HB LYS 68 -2.289 3.575 6.150 514 HG2 LYS 68 1HG LYS 68 -2.814 1.606 7.422 515 HG3 LYS 68 2HG LYS 68 -1.283 0.856 6.960 516 HD2 LYS 68 1HD LYS 68 -0.063 2.613 8.135 517 HD3 LYS 68 2HD LYS 68 -1.588 3.378 8.586 518 HE2 LYS 68 1HE LYS 68 -0.728 0.597 9.377 519 HE3 LYS 68 2HE LYS 68 -0.631 2.020 10.411 520 HZ1 LYS 68 3HZ LYS 68 -2.594 0.731 10.919 521 HZ2 LYS 68 1HZ LYS 68 -3.128 0.821 9.309 522 HZ3 LYS 68 2HZ LYS 68 -3.051 2.226 10.263 523 H VAL 69 H VAL 69 -4.070 2.539 3.024 524 HA VAL 69 HA VAL 69 -2.389 4.059 1.206 525 HB VAL 69 HB VAL 69 -5.353 3.481 1.010 526 HG11 VAL 69 1HG1 VAL 69 -3.369 4.387 -1.074 527 HG12 VAL 69 2HG1 VAL 69 -4.658 5.360 -0.366 528 HG13 VAL 69 3HG1 VAL 69 -5.054 3.968 -1.376 529 HG21 VAL 69 3HG2 VAL 69 -3.031 1.983 -0.203 530 HG22 VAL 69 1HG2 VAL 69 -4.738 1.678 -0.528 531 HG23 VAL 69 2HG2 VAL 69 -4.086 1.404 1.088 532 H GLU 70 H GLU 70 -2.378 6.241 1.015 533 HA GLU 70 HA GLU 70 -3.514 7.880 3.010 534 HB2 GLU 70 1HB GLU 70 -2.435 8.613 0.280 535 HB3 GLU 70 2HB GLU 70 -2.815 9.768 1.551 536 HG2 GLU 70 1HG GLU 70 -1.128 8.753 2.985 537 HG3 GLU 70 2HG GLU 70 -0.755 7.581 1.723 538 HA PRO 71 HA PRO 71 -7.747 8.243 1.796 539 HB2 PRO 71 1HB PRO 71 -7.392 11.046 2.750 540 HB3 PRO 71 2HB PRO 71 -8.620 9.853 3.192 541 HG2 PRO 71 1HG PRO 71 -6.622 10.409 4.854 542 HG3 PRO 71 2HG PRO 71 -7.203 8.744 4.659 543 HD2 PRO 71 1HD PRO 71 -4.737 10.033 3.580 544 HD3 PRO 71 2HD PRO 71 -4.981 8.376 4.165 545 H ILE 72 H ILE 72 -8.698 8.726 -0.069 546 HA ILE 72 HA ILE 72 -7.276 10.520 -1.899 547 HB ILE 72 HB ILE 72 -9.505 8.609 -2.618 548 HG12 ILE 72 1HG1 ILE 72 -7.443 7.308 -3.621 549 HG13 ILE 72 2HG1 ILE 72 -6.556 8.137 -2.347 550 HG21 ILE 72 1HG2 ILE 72 -7.401 9.982 -4.280 551 HG22 ILE 72 2HG2 ILE 72 -9.114 10.391 -4.218 552 HG23 ILE 72 3HG2 ILE 72 -8.601 8.840 -4.884 553 HD11 ILE 72 3HD1 ILE 72 -7.240 5.899 -1.670 554 HD12 ILE 72 1HD1 ILE 72 -8.930 6.330 -1.941 555 HD13 ILE 72 2HD1 ILE 72 -8.008 7.135 -0.672 556 HA PRO 73 HA PRO 73 -10.346 13.624 -1.027 557 HB2 PRO 73 1HB PRO 73 -9.313 14.801 -3.544 558 HB3 PRO 73 2HB PRO 73 -9.427 15.512 -1.931 559 HG2 PRO 73 1HG PRO 73 -7.072 14.758 -2.929 560 HG3 PRO 73 2HG PRO 73 -7.456 14.526 -1.212 561 HD2 PRO 73 1HD PRO 73 -7.458 12.530 -3.444 562 HD3 PRO 73 2HD PRO 73 -6.899 12.345 -1.768 563 H ASN 74 H ASN 74 -12.386 13.209 -1.404 564 HA ASN 74 HA ASN 74 -14.408 13.198 -2.429 565 HB2 ASN 74 1HB ASN 74 -12.889 14.043 -4.903 566 HB3 ASN 74 2HB ASN 74 -14.640 14.042 -4.734 567 HD21 ASN 74 2HD2 ASN 74 -15.617 15.556 -3.349 568 HD22 ASN 74 1HD2 ASN 74 -14.786 17.009 -2.890 569 H ILE 75 H ILE 75 -12.329 10.911 -2.660 570 HA ILE 75 HA ILE 75 -13.940 9.319 -4.549 571 HB ILE 75 HB ILE 75 -10.938 9.183 -4.189 572 HG12 ILE 75 1HG1 ILE 75 -12.654 9.999 -6.548 573 HG13 ILE 75 2HG1 ILE 75 -11.646 11.065 -5.576 574 HG21 ILE 75 1HG2 ILE 75 -12.743 7.498 -5.924 575 HG22 ILE 75 2HG2 ILE 75 -11.894 6.958 -4.474 576 HG23 ILE 75 3HG2 ILE 75 -10.980 7.440 -5.902 577 HD11 ILE 75 3HD1 ILE 75 -9.656 9.898 -6.357 578 HD12 ILE 75 1HD1 ILE 75 -10.598 10.552 -7.697 579 HD13 ILE 75 2HD1 ILE 75 -10.667 8.829 -7.330 580 H LYS 76 H LYS 76 -14.707 7.459 -3.699 581 HA LYS 76 HA LYS 76 -14.166 6.867 -0.920 582 HB2 LYS 76 1HB LYS 76 -15.894 5.417 -2.930 583 HB3 LYS 76 2HB LYS 76 -15.834 5.071 -1.212 584 HG2 LYS 76 1HG LYS 76 -16.710 7.322 -0.751 585 HG3 LYS 76 2HG LYS 76 -16.826 7.607 -2.492 586 HD2 LYS 76 1HD LYS 76 -18.340 5.697 -2.705 587 HD3 LYS 76 2HD LYS 76 -18.221 5.407 -0.970 588 HE2 LYS 76 1HE LYS 76 -19.194 7.629 -0.556 589 HE3 LYS 76 2HE LYS 76 -19.356 7.864 -2.296 590 HZ1 LYS 76 3HZ LYS 76 -20.671 5.717 -0.717 591 HZ2 LYS 76 1HZ LYS 76 -20.841 5.961 -2.388 592 HZ3 LYS 76 2HZ LYS 76 -21.428 7.118 -1.300 593 H ILE 77 H ILE 77 -12.923 5.243 -0.127 594 HA ILE 77 HA ILE 77 -11.614 3.485 -2.054 595 HB ILE 77 HB ILE 77 -10.164 4.512 -0.376 596 HG12 ILE 77 1HG1 ILE 77 -10.462 1.540 0.093 597 HG13 ILE 77 2HG1 ILE 77 -9.637 2.265 -1.281 598 HG21 ILE 77 1HG2 ILE 77 -11.795 3.010 1.662 599 HG22 ILE 77 2HG2 ILE 77 -11.750 4.760 1.447 600 HG23 ILE 77 3HG2 ILE 77 -10.309 3.899 1.989 601 HD11 ILE 77 3HD1 ILE 77 -8.006 3.271 0.228 602 HD12 ILE 77 1HD1 ILE 77 -8.060 1.517 0.404 603 HD13 ILE 77 2HD1 ILE 77 -8.837 2.548 1.606 604 H VAL 78 H VAL 78 -12.499 1.624 -2.547 605 HA VAL 78 HA VAL 78 -14.538 0.472 -0.788 606 HB VAL 78 HB VAL 78 -13.770 -0.413 -3.572 607 HG11 VAL 78 1HG1 VAL 78 -15.972 -1.473 -3.582 608 HG12 VAL 78 2HG1 VAL 78 -16.243 -0.923 -1.928 609 HG13 VAL 78 3HG1 VAL 78 -14.963 -2.087 -2.272 610 HG21 VAL 78 3HG2 VAL 78 -14.479 1.896 -3.670 611 HG22 VAL 78 1HG2 VAL 78 -15.926 1.519 -2.732 612 HG23 VAL 78 2HG2 VAL 78 -15.727 0.854 -4.354 613 H GLU 79 H GLU 79 -11.638 -0.497 -2.578 614 HA GLU 79 HA GLU 79 -11.337 -2.739 -0.694 615 HB2 GLU 79 1HB GLU 79 -10.481 -2.622 -3.588 616 HB3 GLU 79 2HB GLU 79 -10.111 -3.935 -2.480 617 HG2 GLU 79 1HG GLU 79 -12.585 -4.257 -2.205 618 HG3 GLU 79 2HG GLU 79 -12.799 -3.113 -3.532 619 H ILE 80 H ILE 80 -9.144 -3.350 -0.226 620 HA ILE 80 HA ILE 80 -7.095 -1.361 -0.790 621 HB ILE 80 HB ILE 80 -8.275 -0.670 1.307 622 HG12 ILE 80 1HG1 ILE 80 -5.417 -1.528 1.787 623 HG13 ILE 80 2HG1 ILE 80 -5.884 -0.110 0.853 624 HG21 ILE 80 1HG2 ILE 80 -7.929 -1.966 3.353 625 HG22 ILE 80 2HG2 ILE 80 -7.162 -3.242 2.409 626 HG23 ILE 80 3HG2 ILE 80 -8.865 -2.861 2.155 627 HD11 ILE 80 3HD1 ILE 80 -6.931 0.854 2.824 628 HD12 ILE 80 1HD1 ILE 80 -5.234 0.478 3.124 629 HD13 ILE 80 2HD1 ILE 80 -6.498 -0.575 3.762 630 H SER 81 H SER 81 -7.714 -4.113 -1.524 631 HA SER 81 HA SER 81 -5.920 -5.811 -0.024 632 HB2 SER 81 1HB SER 81 -7.567 -6.439 -2.482 633 HB3 SER 81 2HB SER 81 -6.821 -7.603 -1.385 634 HG SER 81 HG SER 81 -8.646 -7.499 -0.353 635 HA PRO 82 HA PRO 82 -4.656 -7.706 -0.298 636 HB2 PRO 82 1HB PRO 82 -1.773 -7.253 0.075 637 HB3 PRO 82 2HB PRO 82 -2.636 -8.754 -0.271 638 HG2 PRO 82 1HG PRO 82 -1.086 -7.561 -2.114 639 HG3 PRO 82 2HG PRO 82 -2.572 -8.424 -2.553 640 HD2 PRO 82 1HD PRO 82 -2.107 -5.475 -2.272 641 HD3 PRO 82 2HD PRO 82 -3.022 -6.358 -3.513 642 H ARG 83 H ARG 83 -5.303 -7.163 1.639 643 HA ARG 83 HA ARG 83 -5.032 -4.496 2.596 644 HB2 ARG 83 1HB ARG 83 -6.073 -6.905 4.092 645 HB3 ARG 83 2HB ARG 83 -6.448 -5.216 4.409 646 HG2 ARG 83 1HG ARG 83 -7.681 -5.040 2.365 647 HG3 ARG 83 2HG ARG 83 -7.170 -6.654 1.866 648 HD2 ARG 83 1HD ARG 83 -8.947 -5.951 4.196 649 HD3 ARG 83 2HD ARG 83 -9.429 -6.753 2.702 650 HE ARG 83 HE ARG 83 -7.411 -8.283 3.876 651 HH11 ARG 83 1HH1 ARG 83 -10.752 -7.393 4.402 652 HH12 ARG 83 2HH1 ARG 83 -11.085 -8.739 5.449 653 HH21 ARG 83 1HH2 ARG 83 -7.837 -10.065 5.256 654 HH22 ARG 83 2HH2 ARG 83 -9.424 -10.252 5.949 655 H VAL 84 H VAL 84 -3.463 -7.512 3.279 656 HA VAL 84 HA VAL 84 -1.712 -6.156 5.214 657 HB VAL 84 HB VAL 84 -2.594 -9.049 5.378 658 HG11 VAL 84 1HG1 VAL 84 -1.492 -9.024 7.564 659 HG12 VAL 84 2HG1 VAL 84 -0.963 -7.366 7.275 660 HG13 VAL 84 3HG1 VAL 84 -0.360 -8.675 6.259 661 HG21 VAL 84 3HG2 VAL 84 -3.852 -8.388 7.375 662 HG22 VAL 84 1HG2 VAL 84 -4.449 -7.576 5.928 663 HG23 VAL 84 2HG2 VAL 84 -3.434 -6.702 7.074 664 H VAL 85 H VAL 85 0.427 -6.402 4.832 665 HA VAL 85 HA VAL 85 1.221 -8.423 2.841 666 HB VAL 85 HB VAL 85 3.141 -6.898 2.267 667 HG11 VAL 85 1HG1 VAL 85 1.814 -5.478 0.774 668 HG12 VAL 85 2HG1 VAL 85 0.360 -5.877 1.691 669 HG13 VAL 85 3HG1 VAL 85 1.214 -7.137 0.799 670 HG21 VAL 85 3HG2 VAL 85 3.082 -5.459 4.230 671 HG22 VAL 85 1HG2 VAL 85 1.485 -4.870 3.770 672 HG23 VAL 85 2HG2 VAL 85 2.885 -4.505 2.760 673 H THR 86 H THR 86 2.804 -9.771 3.386 674 HA THR 86 HA THR 86 3.812 -9.630 6.099 675 HB THR 86 HB THR 86 4.463 -11.766 4.073 676 HG1 THR 86 HG1 THR 86 2.175 -11.660 5.796 677 HG21 THR 86 3HG2 THR 86 4.626 -13.177 6.062 678 HG22 THR 86 1HG2 THR 86 4.171 -11.810 7.080 679 HG23 THR 86 2HG2 THR 86 5.697 -11.782 6.197 680 H LEU 87 H LEU 87 5.449 -8.215 6.314 681 HA LEU 87 HA LEU 87 7.552 -8.189 4.254 682 HB2 LEU 87 1HB LEU 87 6.829 -6.089 6.301 683 HB3 LEU 87 2HB LEU 87 8.152 -5.966 5.161 684 HG LEU 87 HG LEU 87 5.220 -6.079 4.448 685 HD11 LEU 87 1HD1 LEU 87 7.210 -3.818 4.322 686 HD12 LEU 87 2HD1 LEU 87 5.876 -3.965 5.467 687 HD13 LEU 87 3HD1 LEU 87 5.544 -3.763 3.747 688 HD21 LEU 87 3HD2 LEU 87 6.596 -7.152 2.747 689 HD22 LEU 87 1HD2 LEU 87 7.650 -5.738 2.694 690 HD23 LEU 87 2HD2 LEU 87 5.972 -5.607 2.167 691 H GLN 88 H GLN 88 9.589 -8.723 4.778 692 HA GLN 88 HA GLN 88 10.061 -9.583 7.527 693 HB2 GLN 88 1HB GLN 88 10.597 -11.169 5.730 694 HB3 GLN 88 2HB GLN 88 11.725 -10.011 5.039 695 HG2 GLN 88 1HG GLN 88 13.062 -10.116 7.100 696 HG3 GLN 88 2HG GLN 88 11.953 -11.329 7.736 697 HE21 GLN 88 2HE2 GLN 88 13.594 -12.849 7.914 698 HE22 GLN 88 1HE2 GLN 88 14.266 -13.643 6.524 699 H LEU 89 H LEU 89 10.602 -7.877 8.745 700 HA LEU 89 HA LEU 89 12.487 -5.900 7.792 701 HB2 LEU 89 1HB LEU 89 11.163 -6.335 10.462 702 HB3 LEU 89 2HB LEU 89 12.366 -5.089 10.191 703 HG LEU 89 HG LEU 89 9.691 -5.305 8.831 704 HD11 LEU 89 1HD1 LEU 89 9.187 -3.249 10.042 705 HD12 LEU 89 2HD1 LEU 89 10.774 -3.310 10.811 706 HD13 LEU 89 3HD1 LEU 89 9.579 -4.560 11.156 707 HD21 LEU 89 3HD2 LEU 89 11.377 -4.420 7.314 708 HD22 LEU 89 1HD2 LEU 89 11.857 -3.234 8.527 709 HD23 LEU 89 2HD2 LEU 89 10.247 -3.159 7.808 710 H GLU 90 H GLU 90 14.582 -6.164 7.851 711 HA GLU 90 HA GLU 90 15.625 -8.324 9.529 712 HB2 GLU 90 1HB GLU 90 16.076 -7.745 6.864 713 HB3 GLU 90 2HB GLU 90 17.516 -7.122 7.662 714 HG2 GLU 90 1HG GLU 90 16.440 -9.927 7.867 715 HG3 GLU 90 2HG GLU 90 17.857 -9.412 6.953 716 H HIS 91 H HIS 91 17.458 -8.033 10.775 717 HA HIS 91 HA HIS 91 17.550 -5.540 12.160 718 HB2 HIS 91 1HB HIS 91 19.510 -7.842 12.343 719 HB3 HIS 91 2HB HIS 91 19.241 -6.588 13.544 720 HD1 HIS 91 HD1 HIS 91 17.689 -9.705 12.131 721 HD2 HIS 91 HD2 HIS 91 17.157 -7.080 15.312 722 HE1 HIS 91 HE1 HIS 91 16.024 -10.814 13.649 723 HE2 HIS 91 HE2 HIS 91 15.906 -9.321 15.676 724 H HIS 92 H HIS 92 18.709 -3.791 11.574 725 HA HIS 92 HA HIS 92 20.862 -4.078 9.645 726 HB2 HIS 92 1HB HIS 92 19.265 -2.139 9.583 727 HB3 HIS 92 2HB HIS 92 19.970 -1.574 11.094 728 HD1 HIS 92 HD1 HIS 92 21.295 0.431 10.479 729 HD2 HIS 92 HD2 HIS 92 21.872 -2.702 7.802 730 HE1 HIS 92 HE1 HIS 92 23.080 1.213 8.888 731 HE2 HIS 92 HE2 HIS 92 23.550 -0.769 7.406 732 H HIS 93 H HIS 93 20.427 -4.260 12.937 733 HA HIS 93 HA HIS 93 23.320 -3.992 13.389 734 HB2 HIS 93 1HB HIS 93 20.970 -3.636 15.233 735 HB3 HIS 93 2HB HIS 93 22.564 -4.031 15.874 736 HD1 HIS 93 HD1 HIS 93 24.296 -2.189 15.944 737 HD2 HIS 93 HD2 HIS 93 20.782 -1.056 14.029 738 HE1 HIS 93 HE1 HIS 93 24.476 0.295 15.614 739 HE2 HIS 93 HE2 HIS 93 22.427 0.931 14.296 740 H HIS 94 H HIS 94 24.374 -5.833 13.515 741 HA HIS 94 HA HIS 94 22.969 -8.209 14.554 742 HB2 HIS 94 1HB HIS 94 24.728 -7.923 12.144 743 HB3 HIS 94 2HB HIS 94 24.748 -9.436 13.039 744 HD1 HIS 94 HD1 HIS 94 23.205 -11.113 12.131 745 HD2 HIS 94 HD2 HIS 94 21.858 -7.246 11.415 746 HE1 HIS 94 HE1 HIS 94 21.093 -11.369 10.800 747 HE2 HIS 94 HE2 HIS 94 20.426 -9.024 10.180 748 H HIS 95 H HIS 95 24.640 -9.909 15.249 749 HA HIS 95 HA HIS 95 26.750 -8.581 16.778 750 HB2 HIS 95 1HB HIS 95 26.020 -11.525 16.781 751 HB3 HIS 95 2HB HIS 95 26.989 -10.665 17.973 752 HD1 HIS 95 HD1 HIS 95 25.677 -9.030 19.600 753 HD2 HIS 95 HD2 HIS 95 23.295 -11.436 17.178 754 HE1 HIS 95 HE1 HIS 95 23.364 -8.916 20.585 755 HE2 HIS 95 HE2 HIS 95 21.908 -10.230 18.998 756 H HIS 96 H HIS 96 26.542 -11.610 14.960 757 HA HIS 96 HA HIS 96 27.901 -10.869 12.699 758 HB2 HIS 96 1HB HIS 96 29.847 -10.663 14.426 759 HB3 HIS 96 2HB HIS 96 29.846 -12.425 14.387 760 HD1 HIS 96 HD1 HIS 96 30.418 -13.543 12.036 761 HD2 HIS 96 HD2 HIS 96 31.019 -9.433 12.270 762 HE1 HIS 96 HE1 HIS 96 31.818 -12.945 10.035 763 HE2 HIS 96 HE2 HIS 96 31.971 -10.426 10.080 Start of MODEL 2 1 H1 SER 1 1H SER 1 -10.172 -1.819 -26.432 2 H2 SER 1 2H SER 1 -11.866 -1.777 -26.460 3 H3 SER 1 3H SER 1 -11.066 -3.143 -25.864 4 HA SER 1 HA SER 1 -10.153 -1.839 -24.053 5 HB2 SER 1 1HB SER 1 -11.938 0.339 -25.167 6 HB3 SER 1 2HB SER 1 -10.985 0.437 -23.687 7 HG SER 1 HG SER 1 -10.224 1.046 -26.140 8 H SER 2 H SER 2 -11.166 -2.225 -22.147 9 HA SER 2 HA SER 2 -13.730 -3.445 -22.156 10 HB2 SER 2 1HB SER 2 -12.139 -2.452 -19.780 11 HB3 SER 2 2HB SER 2 -13.405 -3.681 -19.768 12 HG SER 2 HG SER 2 -11.906 -4.750 -21.398 13 H GLN 3 H GLN 3 -15.703 -2.628 -21.680 14 HA GLN 3 HA GLN 3 -15.996 0.218 -21.894 15 HB2 GLN 3 1HB GLN 3 -18.096 -1.897 -21.387 16 HB3 GLN 3 2HB GLN 3 -18.401 -0.239 -21.885 17 HG2 GLN 3 1HG GLN 3 -16.971 -2.349 -23.488 18 HG3 GLN 3 2HG GLN 3 -18.606 -1.752 -23.762 19 HE21 GLN 3 2HE2 GLN 3 -16.276 -1.760 -25.520 20 HE22 GLN 3 1HE2 GLN 3 -16.016 -0.113 -25.973 21 H THR 4 H THR 4 -16.640 -2.176 -19.365 22 HA THR 4 HA THR 4 -17.646 -0.231 -17.527 23 HB THR 4 HB THR 4 -17.377 -2.187 -15.878 24 HG1 THR 4 HG1 THR 4 -16.477 -3.948 -16.621 25 HG21 THR 4 3HG2 THR 4 -19.349 -3.334 -16.806 26 HG22 THR 4 1HG2 THR 4 -19.106 -2.493 -18.337 27 HG23 THR 4 2HG2 THR 4 -19.512 -1.580 -16.884 28 H LEU 5 H LEU 5 -14.596 -0.751 -18.605 29 HA LEU 5 HA LEU 5 -13.207 -0.374 -16.087 30 HB2 LEU 5 1HB LEU 5 -12.220 -1.729 -17.908 31 HB3 LEU 5 2HB LEU 5 -12.174 -0.305 -18.927 32 HG LEU 5 HG LEU 5 -10.614 0.749 -17.284 33 HD11 LEU 5 1HD1 LEU 5 -10.606 -2.011 -16.068 34 HD12 LEU 5 2HD1 LEU 5 -11.216 -0.539 -15.314 35 HD13 LEU 5 3HD1 LEU 5 -9.494 -0.705 -15.659 36 HD21 LEU 5 3HD2 LEU 5 -9.692 -1.876 -18.448 37 HD22 LEU 5 1HD2 LEU 5 -8.667 -0.511 -18.001 38 HD23 LEU 5 2HD2 LEU 5 -9.818 -0.352 -19.327 39 H ASP 6 H ASP 6 -14.680 1.506 -18.517 40 HA ASP 6 HA ASP 6 -13.138 3.900 -18.131 41 HB2 ASP 6 1HB ASP 6 -14.341 3.440 -20.245 42 HB3 ASP 6 2HB ASP 6 -15.873 3.533 -19.384 43 H ARG 7 H ARG 7 -15.567 2.298 -16.441 44 HA ARG 7 HA ARG 7 -16.274 4.714 -14.920 45 HB2 ARG 7 1HB ARG 7 -17.647 2.044 -15.190 46 HB3 ARG 7 2HB ARG 7 -18.084 3.219 -13.960 47 HG2 ARG 7 1HG ARG 7 -18.623 4.836 -15.735 48 HG3 ARG 7 2HG ARG 7 -18.264 3.591 -16.940 49 HD2 ARG 7 1HD ARG 7 -20.023 2.202 -16.136 50 HD3 ARG 7 2HD ARG 7 -20.280 3.239 -14.734 51 HE ARG 7 HE ARG 7 -21.088 3.785 -17.497 52 HH11 ARG 7 1HH1 ARG 7 -20.944 4.783 -14.141 53 HH12 ARG 7 2HH1 ARG 7 -22.225 5.945 -14.296 54 HH21 ARG 7 1HH2 ARG 7 -22.810 5.282 -17.695 55 HH22 ARG 7 2HH2 ARG 7 -23.301 6.215 -16.309 56 H ASP 8 H ASP 8 -15.558 4.913 -12.897 57 HA ASP 8 HA ASP 8 -14.589 4.490 -10.888 58 HB2 ASP 8 1HB ASP 8 -15.855 1.758 -11.076 59 HB3 ASP 8 2HB ASP 8 -15.511 2.695 -9.626 60 HA PRO 9 HA PRO 9 -11.139 2.196 -12.799 61 HB2 PRO 9 1HB PRO 9 -9.188 3.939 -12.191 62 HB3 PRO 9 2HB PRO 9 -10.316 4.219 -13.522 63 HG2 PRO 9 1HG PRO 9 -10.304 5.389 -10.773 64 HG3 PRO 9 2HG PRO 9 -10.670 6.168 -12.323 65 HD2 PRO 9 1HD PRO 9 -12.571 5.276 -10.538 66 HD3 PRO 9 2HD PRO 9 -12.850 5.494 -12.275 67 H THR 10 H THR 10 -9.673 0.807 -11.961 68 HA THR 10 HA THR 10 -9.318 0.701 -9.079 69 HB THR 10 HB THR 10 -8.259 -1.160 -11.222 70 HG1 THR 10 HG1 THR 10 -10.597 -1.110 -10.994 71 HG21 THR 10 3HG2 THR 10 -6.953 -1.237 -9.143 72 HG22 THR 10 1HG2 THR 10 -7.873 -2.723 -9.377 73 HG23 THR 10 2HG2 THR 10 -8.434 -1.511 -8.225 74 H LEU 11 H LEU 11 -7.805 1.965 -8.241 75 HA LEU 11 HA LEU 11 -5.668 2.974 -9.907 76 HB2 LEU 11 1HB LEU 11 -6.242 3.505 -6.992 77 HB3 LEU 11 2HB LEU 11 -5.139 4.407 -8.015 78 HG LEU 11 HG LEU 11 -8.123 4.255 -8.396 79 HD11 LEU 11 1HD1 LEU 11 -7.527 5.502 -6.391 80 HD12 LEU 11 2HD1 LEU 11 -8.129 6.583 -7.648 81 HD13 LEU 11 3HD1 LEU 11 -6.398 6.482 -7.327 82 HD21 LEU 11 3HD2 LEU 11 -6.052 5.942 -9.791 83 HD22 LEU 11 1HD2 LEU 11 -7.797 6.023 -10.040 84 HD23 LEU 11 2HD2 LEU 11 -6.907 4.568 -10.492 85 H THR 12 H THR 12 -3.571 2.521 -9.758 86 HA THR 12 HA THR 12 -2.777 0.369 -7.914 87 HB THR 12 HB THR 12 -1.391 1.156 -10.484 88 HG1 THR 12 HG1 THR 12 -3.722 0.052 -10.309 89 HG21 THR 12 3HG2 THR 12 -0.336 -1.050 -10.270 90 HG22 THR 12 1HG2 THR 12 -1.199 -1.318 -8.758 91 HG23 THR 12 2HG2 THR 12 0.012 -0.042 -8.865 92 H LEU 13 H LEU 13 -1.934 1.339 -6.168 93 HA LEU 13 HA LEU 13 -0.216 3.694 -6.554 94 HB2 LEU 13 1HB LEU 13 -1.375 2.642 -3.972 95 HB3 LEU 13 2HB LEU 13 -0.592 4.190 -4.225 96 HG LEU 13 HG LEU 13 -3.270 3.333 -5.322 97 HD11 LEU 13 1HD1 LEU 13 -3.331 3.888 -2.967 98 HD12 LEU 13 2HD1 LEU 13 -4.115 5.155 -3.912 99 HD13 LEU 13 3HD1 LEU 13 -2.488 5.404 -3.279 100 HD21 LEU 13 3HD2 LEU 13 -1.765 5.915 -5.706 101 HD22 LEU 13 1HD2 LEU 13 -3.429 5.611 -6.205 102 HD23 LEU 13 2HD2 LEU 13 -2.107 4.711 -6.949 103 H SER 14 H SER 14 1.783 3.820 -5.358 104 HA SER 14 HA SER 14 3.112 1.235 -5.239 105 HB2 SER 14 1HB SER 14 4.301 3.979 -4.769 106 HB3 SER 14 2HB SER 14 5.159 2.494 -5.183 107 HG SER 14 HG SER 14 4.430 4.253 -6.868 108 H LEU 15 H LEU 15 4.029 0.359 -3.401 109 HA LEU 15 HA LEU 15 3.059 1.428 -0.861 110 HB2 LEU 15 1HB LEU 15 2.677 -0.955 -1.396 111 HB3 LEU 15 2HB LEU 15 4.409 -1.202 -1.494 112 HG LEU 15 HG LEU 15 4.591 -0.593 0.910 113 HD11 LEU 15 1HD1 LEU 15 2.567 0.775 1.056 114 HD12 LEU 15 2HD1 LEU 15 2.576 -0.508 2.266 115 HD13 LEU 15 3HD1 LEU 15 1.579 -0.667 0.820 116 HD21 LEU 15 3HD2 LEU 15 4.466 -2.931 0.201 117 HD22 LEU 15 1HD2 LEU 15 2.705 -2.866 0.293 118 HD23 LEU 15 2HD2 LEU 15 3.672 -2.688 1.757 119 H ILE 16 H ILE 16 4.357 2.480 0.509 120 HA ILE 16 HA ILE 16 7.271 2.216 0.140 121 HB ILE 16 HB ILE 16 7.494 4.581 0.866 122 HG12 ILE 16 1HG1 ILE 16 4.494 4.667 0.456 123 HG13 ILE 16 2HG1 ILE 16 5.312 4.775 2.011 124 HG21 ILE 16 1HG2 ILE 16 5.859 4.146 -1.629 125 HG22 ILE 16 2HG2 ILE 16 7.609 3.989 -1.491 126 HG23 ILE 16 3HG2 ILE 16 6.847 5.565 -1.281 127 HD11 ILE 16 3HD1 ILE 16 6.370 6.861 1.306 128 HD12 ILE 16 1HD1 ILE 16 4.610 6.961 1.229 129 HD13 ILE 16 2HD1 ILE 16 5.546 6.748 -0.250 130 H ALA 17 H ALA 17 8.561 2.735 2.041 131 HA ALA 17 HA ALA 17 7.357 1.635 4.456 132 HB1 ALA 17 3HB ALA 17 10.213 2.417 3.869 133 HB2 ALA 17 1HB ALA 17 9.531 0.800 3.698 134 HB3 ALA 17 2HB ALA 17 9.646 1.543 5.293 135 H LYS 18 H LYS 18 6.442 2.943 5.904 136 HA LYS 18 HA LYS 18 7.435 5.713 6.083 137 HB2 LYS 18 1HB LYS 18 5.017 5.245 5.277 138 HB3 LYS 18 2HB LYS 18 4.690 4.842 6.956 139 HG2 LYS 18 1HG LYS 18 4.053 7.096 6.669 140 HG3 LYS 18 2HG LYS 18 5.578 7.122 7.559 141 HD2 LYS 18 1HD LYS 18 6.769 7.521 5.424 142 HD3 LYS 18 2HD LYS 18 5.211 7.598 4.602 143 HE2 LYS 18 1HE LYS 18 6.199 9.447 6.769 144 HE3 LYS 18 2HE LYS 18 6.021 9.833 5.059 145 HZ1 LYS 18 3HZ LYS 18 3.883 9.311 7.040 146 HZ2 LYS 18 1HZ LYS 18 3.593 9.312 5.363 147 HZ3 LYS 18 2HZ LYS 18 4.148 10.718 6.132 148 H ASN 19 H ASN 19 7.917 6.544 8.055 149 HA ASN 19 HA ASN 19 8.459 6.643 10.260 150 HB2 ASN 19 1HB ASN 19 6.325 4.523 10.622 151 HB3 ASN 19 2HB ASN 19 7.026 5.510 11.899 152 HD21 ASN 19 2HD2 ASN 19 4.254 5.253 11.118 153 HD22 ASN 19 1HD2 ASN 19 3.722 6.852 10.692 154 H THR 20 H THR 20 9.650 4.656 8.395 155 HA THR 20 HA THR 20 10.165 2.295 9.968 156 HB THR 20 HB THR 20 11.264 3.115 7.273 157 HG1 THR 20 HG1 THR 20 8.828 2.193 8.079 158 HG21 THR 20 3HG2 THR 20 11.170 0.417 8.637 159 HG22 THR 20 1HG2 THR 20 12.619 1.383 8.359 160 HG23 THR 20 2HG2 THR 20 11.726 0.720 6.992 161 HA PRO 21 HA PRO 21 13.883 4.117 11.730 162 HB2 PRO 21 1HB PRO 21 14.144 1.649 13.231 163 HB3 PRO 21 2HB PRO 21 13.732 3.260 13.820 164 HG2 PRO 21 1HG PRO 21 11.976 1.173 13.779 165 HG3 PRO 21 2HG PRO 21 11.484 2.873 13.686 166 HD2 PRO 21 1HD PRO 21 11.758 0.852 11.492 167 HD3 PRO 21 2HD PRO 21 10.513 2.097 11.735 168 H ALA 22 H ALA 22 16.110 3.679 11.665 169 HA ALA 22 HA ALA 22 16.927 2.136 9.406 170 HB1 ALA 22 3HB ALA 22 19.154 2.972 9.881 171 HB2 ALA 22 1HB ALA 22 18.624 3.533 11.467 172 HB3 ALA 22 2HB ALA 22 17.970 4.274 10.006 173 H ASN 23 H ASN 23 16.244 1.121 12.477 174 HA ASN 23 HA ASN 23 18.446 -0.721 12.792 175 HB2 ASN 23 1HB ASN 23 15.818 -0.519 14.280 176 HB3 ASN 23 2HB ASN 23 17.120 -1.627 14.699 177 HD21 ASN 23 2HD2 ASN 23 15.981 0.390 16.357 178 HD22 ASN 23 1HD2 ASN 23 17.245 1.516 16.743 179 H SER 24 H SER 24 15.311 -0.723 11.357 180 HA SER 24 HA SER 24 15.408 -3.632 11.020 181 HB2 SER 24 1HB SER 24 12.941 -3.328 10.433 182 HB3 SER 24 2HB SER 24 13.383 -3.041 12.115 183 HG SER 24 HG SER 24 13.340 -0.913 10.262 184 H MET 25 H MET 25 15.729 -4.433 9.055 185 HA MET 25 HA MET 25 15.500 -2.591 6.768 186 HB2 MET 25 1HB MET 25 17.827 -3.171 7.355 187 HB3 MET 25 2HB MET 25 17.447 -4.873 7.135 188 HG2 MET 25 1HG MET 25 17.013 -4.511 4.786 189 HG3 MET 25 2HG MET 25 17.269 -2.777 4.980 190 HE1 MET 25 3HE MET 25 19.300 -5.767 6.598 191 HE2 MET 25 1HE MET 25 20.577 -5.971 5.400 192 HE3 MET 25 2HE MET 25 18.902 -6.326 4.972 193 H ILE 26 H ILE 26 14.196 -3.206 5.168 194 HA ILE 26 HA ILE 26 12.666 -5.635 5.587 195 HB ILE 26 HB ILE 26 12.271 -3.647 3.356 196 HG12 ILE 26 1HG1 ILE 26 11.128 -3.523 6.157 197 HG13 ILE 26 2HG1 ILE 26 12.362 -2.443 5.518 198 HG21 ILE 26 1HG2 ILE 26 9.914 -4.395 3.573 199 HG22 ILE 26 2HG2 ILE 26 10.434 -5.569 4.782 200 HG23 ILE 26 3HG2 ILE 26 11.021 -5.690 3.123 201 HD11 ILE 26 3HD1 ILE 26 10.205 -1.367 5.488 202 HD12 ILE 26 1HD1 ILE 26 9.527 -2.689 4.538 203 HD13 ILE 26 2HD1 ILE 26 10.761 -1.643 3.838 204 H MET 27 H MET 27 13.331 -7.486 4.734 205 HA MET 27 HA MET 27 15.120 -7.560 2.467 206 HB2 MET 27 1HB MET 27 13.771 -9.759 4.047 207 HB3 MET 27 2HB MET 27 14.918 -10.043 2.745 208 HG2 MET 27 1HG MET 27 15.519 -8.538 5.281 209 HG3 MET 27 2HG MET 27 15.922 -10.228 4.980 210 HE1 MET 27 3HE MET 27 16.796 -10.157 1.906 211 HE2 MET 27 1HE MET 27 17.662 -11.035 3.167 212 HE3 MET 27 2HE MET 27 18.538 -9.950 2.086 213 H THR 28 H THR 28 11.851 -7.266 2.854 214 HA THR 28 HA THR 28 11.164 -8.686 0.392 215 HB THR 28 HB THR 28 9.302 -7.288 2.322 216 HG1 THR 28 HG1 THR 28 10.271 -9.966 2.260 217 HG21 THR 28 3HG2 THR 28 7.597 -8.714 1.307 218 HG22 THR 28 1HG2 THR 28 8.807 -9.414 0.233 219 HG23 THR 28 2HG2 THR 28 8.380 -7.709 0.087 220 H LYS 29 H LYS 29 11.225 -7.564 -1.449 221 HA LYS 29 HA LYS 29 11.435 -4.741 -1.569 222 HB2 LYS 29 1HB LYS 29 11.258 -6.961 -3.508 223 HB3 LYS 29 2HB LYS 29 10.683 -5.406 -4.093 224 HG2 LYS 29 1HG LYS 29 13.059 -5.848 -4.609 225 HG3 LYS 29 2HG LYS 29 12.807 -4.387 -3.655 226 HD2 LYS 29 1HD LYS 29 13.413 -5.652 -1.620 227 HD3 LYS 29 2HD LYS 29 13.728 -7.071 -2.622 228 HE2 LYS 29 1HE LYS 29 15.492 -5.916 -3.785 229 HE3 LYS 29 2HE LYS 29 15.120 -4.418 -2.936 230 HZ1 LYS 29 3HZ LYS 29 16.092 -6.912 -1.640 231 HZ2 LYS 29 1HZ LYS 29 15.795 -5.428 -0.869 232 HZ3 LYS 29 2HZ LYS 29 17.051 -5.560 -2.003 233 H LEU 30 H LEU 30 9.958 -3.179 -1.866 234 HA LEU 30 HA LEU 30 7.282 -3.822 -1.066 235 HB2 LEU 30 1HB LEU 30 8.506 -1.183 -1.872 236 HB3 LEU 30 2HB LEU 30 6.939 -1.386 -1.113 237 HG LEU 30 HG LEU 30 9.580 -2.121 0.156 238 HD11 LEU 30 1HD1 LEU 30 9.351 0.286 -0.091 239 HD12 LEU 30 2HD1 LEU 30 9.174 -0.183 1.600 240 HD13 LEU 30 3HD1 LEU 30 7.749 0.224 0.643 241 HD21 LEU 30 3HD2 LEU 30 7.707 -3.500 0.927 242 HD22 LEU 30 1HD2 LEU 30 6.791 -2.041 1.306 243 HD23 LEU 30 2HD2 LEU 30 8.272 -2.409 2.192 244 HA PRO 31 HA PRO 31 5.760 -3.944 -5.265 245 HB2 PRO 31 1HB PRO 31 3.461 -5.182 -4.720 246 HB3 PRO 31 2HB PRO 31 5.005 -6.030 -4.578 247 HG2 PRO 31 1HG PRO 31 3.245 -4.920 -2.448 248 HG3 PRO 31 2HG PRO 31 4.246 -6.381 -2.432 249 HD2 PRO 31 1HD PRO 31 4.917 -3.884 -1.323 250 HD3 PRO 31 2HD PRO 31 6.020 -5.246 -1.595 251 H SER 32 H SER 32 3.035 -3.776 -5.768 252 HA SER 32 HA SER 32 2.372 -1.050 -4.909 253 HB2 SER 32 1HB SER 32 1.004 -1.026 -7.059 254 HB3 SER 32 2HB SER 32 2.757 -1.040 -7.258 255 HG SER 32 HG SER 32 2.667 -3.225 -7.735 256 H VAL 33 H VAL 33 0.059 -0.562 -4.751 257 HA VAL 33 HA VAL 33 -1.495 -2.890 -3.820 258 HB VAL 33 HB VAL 33 -0.947 -1.291 -2.022 259 HG11 VAL 33 1HG1 VAL 33 -0.770 0.741 -3.325 260 HG12 VAL 33 2HG1 VAL 33 -1.928 0.953 -2.012 261 HG13 VAL 33 3HG1 VAL 33 -2.500 0.699 -3.662 262 HG21 VAL 33 3HG2 VAL 33 -3.201 -0.957 -1.148 263 HG22 VAL 33 1HG2 VAL 33 -3.027 -2.554 -1.876 264 HG23 VAL 33 2HG2 VAL 33 -3.872 -1.275 -2.748 265 H ARG 34 H ARG 34 -3.571 -3.161 -4.582 266 HA ARG 34 HA ARG 34 -4.351 -1.334 -6.756 267 HB2 ARG 34 1HB ARG 34 -4.851 -4.288 -6.416 268 HB3 ARG 34 2HB ARG 34 -5.654 -3.307 -7.636 269 HG2 ARG 34 1HG ARG 34 -3.543 -2.769 -8.659 270 HG3 ARG 34 2HG ARG 34 -2.676 -3.623 -7.383 271 HD2 ARG 34 1HD ARG 34 -3.704 -5.720 -8.074 272 HD3 ARG 34 2HD ARG 34 -4.604 -4.873 -9.334 273 HE ARG 34 HE ARG 34 -2.642 -4.630 -10.567 274 HH11 ARG 34 1HH1 ARG 34 -2.042 -6.204 -7.500 275 HH12 ARG 34 2HH1 ARG 34 -0.452 -6.750 -7.932 276 HH21 ARG 34 1HH2 ARG 34 -0.544 -5.333 -11.153 277 HH22 ARG 34 2HH2 ARG 34 0.411 -6.232 -10.009 278 H VAL 35 H VAL 35 -5.869 -0.000 -6.138 279 HA VAL 35 HA VAL 35 -7.970 -1.011 -4.341 280 HB VAL 35 HB VAL 35 -8.231 1.340 -3.537 281 HG11 VAL 35 1HG1 VAL 35 -6.959 -0.275 -2.240 282 HG12 VAL 35 2HG1 VAL 35 -6.236 1.328 -2.107 283 HG13 VAL 35 3HG1 VAL 35 -5.501 0.113 -3.153 284 HG21 VAL 35 3HG2 VAL 35 -5.678 1.804 -5.081 285 HG22 VAL 35 1HG2 VAL 35 -6.387 2.929 -3.921 286 HG23 VAL 35 2HG2 VAL 35 -7.247 2.539 -5.411 287 H LYS 36 H LYS 36 -9.772 -1.358 -5.499 288 HA LYS 36 HA LYS 36 -10.428 0.186 -7.819 289 HB2 LYS 36 1HB LYS 36 -11.196 -2.135 -7.643 290 HB3 LYS 36 2HB LYS 36 -12.131 -1.730 -6.211 291 HG2 LYS 36 1HG LYS 36 -13.597 -0.325 -7.494 292 HG3 LYS 36 2HG LYS 36 -12.600 -0.530 -8.932 293 HD2 LYS 36 1HD LYS 36 -14.597 -1.919 -9.055 294 HD3 LYS 36 2HD LYS 36 -13.149 -2.918 -8.970 295 HE2 LYS 36 1HE LYS 36 -14.406 -2.269 -6.385 296 HE3 LYS 36 2HE LYS 36 -15.355 -3.298 -7.456 297 HZ1 LYS 36 3HZ LYS 36 -13.766 -4.425 -5.840 298 HZ2 LYS 36 1HZ LYS 36 -12.519 -3.894 -6.861 299 HZ3 LYS 36 2HZ LYS 36 -13.711 -4.934 -7.461 300 H THR 37 H THR 37 -11.471 2.069 -7.888 301 HA THR 37 HA THR 37 -12.799 2.965 -5.419 302 HB THR 37 HB THR 37 -12.024 5.294 -6.054 303 HG1 THR 37 HG1 THR 37 -11.127 4.003 -8.198 304 HG21 THR 37 3HG2 THR 37 -9.900 3.253 -5.380 305 HG22 THR 37 1HG2 THR 37 -10.974 4.054 -4.234 306 HG23 THR 37 2HG2 THR 37 -9.770 4.993 -5.117 307 H GLU 38 H GLU 38 -14.724 3.977 -5.635 308 HA GLU 38 HA GLU 38 -15.889 4.002 -8.314 309 HB2 GLU 38 1HB GLU 38 -17.093 4.142 -5.553 310 HB3 GLU 38 2HB GLU 38 -18.035 4.449 -7.006 311 HG2 GLU 38 1HG GLU 38 -17.551 2.212 -7.817 312 HG3 GLU 38 2HG GLU 38 -16.549 1.902 -6.400 313 H GLY 39 H GLY 39 -16.536 5.795 -9.337 314 HA2 GLY 39 1HA GLY 39 -17.274 8.145 -9.186 315 HA3 GLY 39 2HA GLY 39 -16.033 8.367 -7.960 316 H TYR 40 H TYR 40 -15.513 10.162 -9.509 317 HA TYR 40 HA TYR 40 -13.509 9.181 -11.418 318 HB2 TYR 40 1HB TYR 40 -15.634 11.259 -11.896 319 HB3 TYR 40 2HB TYR 40 -14.128 11.269 -12.808 320 HD1 TYR 40 HD1 TYR 40 -13.577 9.368 -14.298 321 HD2 TYR 40 HD2 TYR 40 -17.366 9.682 -12.387 322 HE1 TYR 40 HE1 TYR 40 -14.507 7.746 -15.889 323 HE2 TYR 40 HE2 TYR 40 -18.305 8.055 -13.976 324 HH TYR 40 HH TYR 40 -16.315 6.219 -16.117 325 H ASN 41 H ASN 41 -11.632 10.273 -11.480 326 HA ASN 41 HA ASN 41 -11.304 12.886 -10.379 327 HB2 ASN 41 1HB ASN 41 -9.689 12.306 -8.599 328 HB3 ASN 41 2HB ASN 41 -11.303 11.718 -8.248 329 HD21 ASN 41 2HD2 ASN 41 -11.182 9.374 -9.909 330 HD22 ASN 41 1HD2 ASN 41 -10.076 8.280 -9.161 331 HA PRO 42 HA PRO 42 -8.389 11.623 -13.681 332 HB2 PRO 42 1HB PRO 42 -8.963 14.206 -14.879 333 HB3 PRO 42 2HB PRO 42 -9.296 12.593 -15.512 334 HG2 PRO 42 1HG PRO 42 -11.251 14.311 -14.702 335 HG3 PRO 42 2HG PRO 42 -11.416 12.548 -14.645 336 HD2 PRO 42 1HD PRO 42 -10.761 14.462 -12.436 337 HD3 PRO 42 2HD PRO 42 -11.825 13.039 -12.417 338 H SER 43 H SER 43 -8.629 14.505 -11.744 339 HA SER 43 HA SER 43 -6.057 15.532 -12.562 340 HB2 SER 43 1HB SER 43 -6.618 17.202 -10.662 341 HB3 SER 43 2HB SER 43 -7.617 17.219 -12.117 342 HG SER 43 HG SER 43 -8.632 17.137 -9.868 343 H ILE 44 H ILE 44 -7.155 13.278 -10.303 344 HA ILE 44 HA ILE 44 -4.791 13.636 -8.601 345 HB ILE 44 HB ILE 44 -7.191 11.853 -8.133 346 HG12 ILE 44 1HG1 ILE 44 -6.497 14.520 -6.870 347 HG13 ILE 44 2HG1 ILE 44 -7.759 14.267 -8.071 348 HG21 ILE 44 1HG2 ILE 44 -6.296 11.675 -5.848 349 HG22 ILE 44 2HG2 ILE 44 -4.896 12.632 -6.336 350 HG23 ILE 44 3HG2 ILE 44 -5.171 11.044 -7.052 351 HD11 ILE 44 3HD1 ILE 44 -7.684 13.034 -5.329 352 HD12 ILE 44 1HD1 ILE 44 -8.962 12.831 -6.526 353 HD13 ILE 44 2HD1 ILE 44 -8.664 14.418 -5.815 354 H ASN 45 H ASN 45 -3.073 12.497 -9.245 355 HA ASN 45 HA ASN 45 -3.517 10.161 -10.949 356 HB2 ASN 45 1HB ASN 45 -1.006 11.744 -10.388 357 HB3 ASN 45 2HB ASN 45 -1.109 10.379 -11.494 358 HD21 ASN 45 2HD2 ASN 45 -1.965 13.700 -10.935 359 HD22 ASN 45 1HD2 ASN 45 -2.458 14.053 -12.567 360 H VAL 46 H VAL 46 -2.451 8.193 -10.646 361 HA VAL 46 HA VAL 46 -2.324 7.304 -7.953 362 HB VAL 46 HB VAL 46 -1.635 5.150 -8.845 363 HG11 VAL 46 1HG1 VAL 46 -3.989 5.715 -8.956 364 HG12 VAL 46 2HG1 VAL 46 -3.525 4.727 -10.341 365 HG13 VAL 46 3HG1 VAL 46 -3.751 6.465 -10.536 366 HG21 VAL 46 3HG2 VAL 46 -0.045 5.885 -10.526 367 HG22 VAL 46 1HG2 VAL 46 -1.353 6.576 -11.486 368 HG23 VAL 46 2HG2 VAL 46 -1.259 4.830 -11.251 369 H ASN 47 H ASN 47 -0.041 8.831 -9.933 370 HA ASN 47 HA ASN 47 2.284 7.738 -8.589 371 HB2 ASN 47 1HB ASN 47 2.044 10.064 -10.513 372 HB3 ASN 47 2HB ASN 47 3.555 9.368 -9.938 373 HD21 ASN 47 2HD2 ASN 47 2.512 6.629 -10.050 374 HD22 ASN 47 1HD2 ASN 47 2.467 6.207 -11.731 375 H GLU 48 H GLU 48 -0.064 9.994 -7.947 376 HA GLU 48 HA GLU 48 1.685 11.614 -6.234 377 HB2 GLU 48 1HB GLU 48 -1.174 12.159 -7.060 378 HB3 GLU 48 2HB GLU 48 -0.082 13.268 -6.237 379 HG2 GLU 48 1HG GLU 48 1.340 13.378 -8.178 380 HG3 GLU 48 2HG GLU 48 0.362 12.167 -9.002 381 H LEU 49 H LEU 49 -0.952 9.370 -6.286 382 HA LEU 49 HA LEU 49 -1.451 9.604 -3.435 383 HB2 LEU 49 1HB LEU 49 -2.521 7.668 -5.491 384 HB3 LEU 49 2HB LEU 49 -3.042 7.747 -3.820 385 HG LEU 49 HG LEU 49 -3.368 9.986 -5.816 386 HD11 LEU 49 1HD1 LEU 49 -5.351 7.952 -4.807 387 HD12 LEU 49 2HD1 LEU 49 -4.703 8.056 -6.445 388 HD13 LEU 49 3HD1 LEU 49 -5.735 9.344 -5.820 389 HD21 LEU 49 3HD2 LEU 49 -3.236 10.739 -3.491 390 HD22 LEU 49 1HD2 LEU 49 -4.496 9.589 -3.043 391 HD23 LEU 49 2HD2 LEU 49 -4.869 10.927 -4.130 392 H PHE 50 H PHE 50 -0.569 8.294 -1.906 393 HA PHE 50 HA PHE 50 1.047 6.041 -2.879 394 HB2 PHE 50 1HB PHE 50 1.767 8.085 -0.782 395 HB3 PHE 50 2HB PHE 50 2.613 6.550 -0.952 396 HD1 PHE 50 HD2 PHE 50 3.933 6.082 -2.971 397 HD2 PHE 50 HD1 PHE 50 2.130 9.878 -2.305 398 HE1 PHE 50 HE2 PHE 50 5.391 7.070 -4.687 399 HE2 PHE 50 HE1 PHE 50 3.585 10.873 -4.022 400 HZ PHE 50 HZ PHE 50 5.216 9.468 -5.214 401 H ALA 51 H ALA 51 1.289 4.278 -1.529 402 HA ALA 51 HA ALA 51 -0.448 4.193 0.846 403 HB1 ALA 51 3HB ALA 51 0.255 1.917 -1.012 404 HB2 ALA 51 1HB ALA 51 -1.311 2.722 -0.912 405 HB3 ALA 51 2HB ALA 51 -0.710 1.788 0.458 406 H TYR 52 H TYR 52 0.527 3.492 2.715 407 HA TYR 52 HA TYR 52 3.368 2.785 2.469 408 HB2 TYR 52 1HB TYR 52 3.747 4.225 4.533 409 HB3 TYR 52 2HB TYR 52 3.463 5.078 3.021 410 HD1 TYR 52 HD2 TYR 52 1.300 6.229 2.645 411 HD2 TYR 52 HD1 TYR 52 2.239 4.410 6.375 412 HE1 TYR 52 HE2 TYR 52 -0.501 7.514 3.717 413 HE2 TYR 52 HE1 TYR 52 0.443 5.695 7.459 414 HH TYR 52 HH TYR 52 -1.914 7.426 5.673 415 H VAL 53 H VAL 53 4.283 1.766 4.338 416 HA VAL 53 HA VAL 53 2.267 0.378 5.967 417 HB VAL 53 HB VAL 53 4.128 -1.306 6.406 418 HG11 VAL 53 1HG1 VAL 53 3.089 -1.026 3.587 419 HG12 VAL 53 2HG1 VAL 53 2.256 -1.800 4.935 420 HG13 VAL 53 3HG1 VAL 53 3.743 -2.502 4.298 421 HG21 VAL 53 3HG2 VAL 53 5.367 0.066 4.016 422 HG22 VAL 53 1HG2 VAL 53 5.917 -1.449 4.735 423 HG23 VAL 53 2HG2 VAL 53 6.016 0.052 5.656 424 H ASP 54 H ASP 54 2.154 0.988 7.965 425 HA ASP 54 HA ASP 54 4.029 2.897 9.001 426 HB2 ASP 54 1HB ASP 54 1.688 3.249 9.442 427 HB3 ASP 54 2HB ASP 54 1.540 1.657 10.179 428 H LEU 55 H LEU 55 5.904 2.164 9.660 429 HA LEU 55 HA LEU 55 5.996 -0.336 11.185 430 HB2 LEU 55 1HB LEU 55 8.207 1.160 9.777 431 HB3 LEU 55 2HB LEU 55 8.405 -0.346 10.653 432 HG LEU 55 HG LEU 55 6.831 0.071 8.110 433 HD11 LEU 55 1HD1 LEU 55 9.243 -0.050 7.799 434 HD12 LEU 55 2HD1 LEU 55 8.446 -1.489 7.161 435 HD13 LEU 55 3HD1 LEU 55 9.292 -1.562 8.707 436 HD21 LEU 55 3HD2 LEU 55 7.142 -2.427 9.767 437 HD22 LEU 55 1HD2 LEU 55 6.372 -2.325 8.184 438 HD23 LEU 55 2HD2 LEU 55 5.660 -1.493 9.567 439 H SER 56 H SER 56 5.133 2.168 12.358 440 HA SER 56 HA SER 56 7.112 3.277 14.007 441 HB2 SER 56 1HB SER 56 4.167 2.844 14.585 442 HB3 SER 56 2HB SER 56 5.237 3.888 15.523 443 HG SER 56 HG SER 56 4.297 4.196 12.872 444 H GLY 57 H GLY 57 5.079 0.424 14.361 445 HA2 GLY 57 1HA GLY 57 6.701 -0.433 16.661 446 HA3 GLY 57 2HA GLY 57 5.169 -1.139 16.164 447 H SER 58 H SER 58 8.243 -0.446 14.532 448 HA SER 58 HA SER 58 8.062 -2.802 12.929 449 HB2 SER 58 1HB SER 58 9.134 -0.677 12.176 450 HB3 SER 58 2HB SER 58 10.427 -0.958 13.338 451 HG SER 58 HG SER 58 11.232 -1.855 11.560 452 H GLU 59 H GLU 59 8.279 -4.722 13.874 453 HA GLU 59 HA GLU 59 10.445 -5.099 15.820 454 HB2 GLU 59 1HB GLU 59 8.028 -6.810 15.211 455 HB3 GLU 59 2HB GLU 59 9.276 -7.224 16.376 456 HG2 GLU 59 1HG GLU 59 8.727 -5.217 17.663 457 HG3 GLU 59 2HG GLU 59 7.454 -4.835 16.504 458 HA PRO 60 HA PRO 60 12.879 -7.017 12.622 459 HB2 PRO 60 1HB PRO 60 14.107 -8.366 14.971 460 HB3 PRO 60 2HB PRO 60 14.876 -7.450 13.670 461 HG2 PRO 60 1HG PRO 60 14.608 -6.394 16.101 462 HG3 PRO 60 2HG PRO 60 14.390 -5.401 14.647 463 HD2 PRO 60 1HD PRO 60 12.333 -6.546 16.488 464 HD3 PRO 60 2HD PRO 60 12.357 -4.977 15.657 465 H GLY 61 H GLY 61 12.811 -8.934 11.541 466 HA2 GLY 61 1HA GLY 61 12.577 -11.361 11.570 467 HA3 GLY 61 2HA GLY 61 11.405 -11.162 12.868 468 H GLU 62 H GLU 62 10.527 -12.644 10.890 469 HA GLU 62 HA GLU 62 9.244 -11.077 8.831 470 HB2 GLU 62 1HB GLU 62 10.051 -13.416 8.477 471 HB3 GLU 62 2HB GLU 62 8.805 -13.973 9.584 472 HG2 GLU 62 1HG GLU 62 7.089 -13.065 8.080 473 HG3 GLU 62 2HG GLU 62 8.359 -12.575 6.958 474 H HIS 63 H HIS 63 7.583 -9.814 9.383 475 HA HIS 63 HA HIS 63 5.516 -10.925 11.149 476 HB2 HIS 63 1HB HIS 63 6.830 -8.220 11.431 477 HB3 HIS 63 2HB HIS 63 5.298 -8.632 12.198 478 HD1 HIS 63 HD1 HIS 63 8.653 -8.337 13.098 479 HD2 HIS 63 HD2 HIS 63 5.804 -11.308 13.693 480 HE1 HIS 63 HE1 HIS 63 9.481 -9.692 15.048 481 HE2 HIS 63 HE2 HIS 63 7.864 -11.617 15.224 482 H ASP 64 H ASP 64 3.443 -9.877 10.966 483 HA ASP 64 HA ASP 64 2.984 -8.973 8.218 484 HB2 ASP 64 1HB ASP 64 1.054 -9.933 10.342 485 HB3 ASP 64 2HB ASP 64 0.582 -9.407 8.730 486 H TYR 65 H TYR 65 2.531 -6.917 7.766 487 HA TYR 65 HA TYR 65 1.732 -5.171 10.000 488 HB2 TYR 65 1HB TYR 65 3.618 -4.536 7.722 489 HB3 TYR 65 2HB TYR 65 3.004 -3.343 8.864 490 HD1 TYR 65 HD2 TYR 65 3.594 -3.573 11.296 491 HD2 TYR 65 HD1 TYR 65 5.454 -5.922 8.276 492 HE1 TYR 65 HE2 TYR 65 5.421 -4.113 12.851 493 HE2 TYR 65 HE1 TYR 65 7.284 -6.471 9.823 494 HH TYR 65 HH TYR 65 8.323 -5.596 11.833 495 H GLU 66 H GLU 66 0.631 -3.169 9.286 496 HA GLU 66 HA GLU 66 -1.412 -3.933 7.351 497 HB2 GLU 66 1HB GLU 66 -2.082 -3.212 9.629 498 HB3 GLU 66 2HB GLU 66 -1.368 -1.636 9.319 499 HG2 GLU 66 1HG GLU 66 -2.958 -1.409 7.390 500 HG3 GLU 66 2HG GLU 66 -3.754 -2.871 7.973 501 H VAL 67 H VAL 67 -1.801 -2.879 5.504 502 HA VAL 67 HA VAL 67 0.034 -0.783 4.661 503 HB VAL 67 HB VAL 67 -2.216 -2.135 3.153 504 HG11 VAL 67 1HG1 VAL 67 -1.743 0.089 2.273 505 HG12 VAL 67 2HG1 VAL 67 -1.203 -1.158 1.150 506 HG13 VAL 67 3HG1 VAL 67 -0.029 -0.311 2.156 507 HG21 VAL 67 3HG2 VAL 67 -0.413 -3.332 1.983 508 HG22 VAL 67 1HG2 VAL 67 -0.440 -3.695 3.709 509 HG23 VAL 67 2HG2 VAL 67 0.766 -2.583 3.059 510 H LYS 68 H LYS 68 -0.413 1.286 4.923 511 HA LYS 68 HA LYS 68 -3.205 2.103 5.358 512 HB2 LYS 68 1HB LYS 68 -0.601 3.455 6.089 513 HB3 LYS 68 2HB LYS 68 -2.187 4.179 6.317 514 HG2 LYS 68 1HG LYS 68 -2.798 2.448 7.881 515 HG3 LYS 68 2HG LYS 68 -1.272 1.609 7.589 516 HD2 LYS 68 1HD LYS 68 -0.021 3.410 8.543 517 HD3 LYS 68 2HD LYS 68 -1.463 4.418 8.659 518 HE2 LYS 68 1HE LYS 68 -2.430 2.851 10.275 519 HE3 LYS 68 2HE LYS 68 -0.991 1.840 10.153 520 HZ1 LYS 68 3HZ LYS 68 0.264 3.314 11.339 521 HZ2 LYS 68 1HZ LYS 68 -1.243 3.592 12.059 522 HZ3 LYS 68 2HZ LYS 68 -0.655 4.663 10.881 523 H VAL 69 H VAL 69 -4.191 3.316 3.885 524 HA VAL 69 HA VAL 69 -2.572 4.295 1.622 525 HB VAL 69 HB VAL 69 -5.519 3.603 1.659 526 HG11 VAL 69 1HG1 VAL 69 -5.371 3.766 -0.780 527 HG12 VAL 69 2HG1 VAL 69 -3.686 4.269 -0.643 528 HG13 VAL 69 3HG1 VAL 69 -4.968 5.297 -0.004 529 HG21 VAL 69 3HG2 VAL 69 -3.182 2.047 0.556 530 HG22 VAL 69 1HG2 VAL 69 -4.883 1.635 0.333 531 HG23 VAL 69 2HG2 VAL 69 -4.171 1.604 1.947 532 H GLU 70 H GLU 70 -2.723 6.425 1.010 533 HA GLU 70 HA GLU 70 -3.795 8.287 2.871 534 HB2 GLU 70 1HB GLU 70 -2.852 8.745 0.034 535 HB3 GLU 70 2HB GLU 70 -3.148 10.003 1.227 536 HG2 GLU 70 1HG GLU 70 -1.402 8.878 2.658 537 HG3 GLU 70 2HG GLU 70 -1.004 7.903 1.243 538 HA PRO 71 HA PRO 71 -8.005 8.429 1.565 539 HB2 PRO 71 1HB PRO 71 -8.028 11.231 2.476 540 HB3 PRO 71 2HB PRO 71 -8.948 9.848 3.075 541 HG2 PRO 71 1HG PRO 71 -6.946 10.918 4.499 542 HG3 PRO 71 2HG PRO 71 -7.260 9.172 4.499 543 HD2 PRO 71 1HD PRO 71 -5.176 10.721 3.007 544 HD3 PRO 71 2HD PRO 71 -5.032 9.168 3.856 545 H ILE 72 H ILE 72 -9.333 9.260 -0.031 546 HA ILE 72 HA ILE 72 -8.086 11.214 -1.861 547 HB ILE 72 HB ILE 72 -9.925 9.012 -2.789 548 HG12 ILE 72 1HG1 ILE 72 -6.895 8.932 -2.793 549 HG13 ILE 72 2HG1 ILE 72 -7.915 8.007 -1.695 550 HG21 ILE 72 1HG2 ILE 72 -7.890 10.731 -4.211 551 HG22 ILE 72 2HG2 ILE 72 -9.641 10.932 -4.265 552 HG23 ILE 72 3HG2 ILE 72 -8.897 9.494 -4.965 553 HD11 ILE 72 3HD1 ILE 72 -7.858 7.753 -4.694 554 HD12 ILE 72 1HD1 ILE 72 -8.892 6.834 -3.600 555 HD13 ILE 72 2HD1 ILE 72 -7.141 6.633 -3.533 556 HA PRO 73 HA PRO 73 -11.662 13.548 -0.625 557 HB2 PRO 73 1HB PRO 73 -11.009 15.105 -3.068 558 HB3 PRO 73 2HB PRO 73 -11.209 15.652 -1.401 559 HG2 PRO 73 1HG PRO 73 -8.786 15.480 -2.488 560 HG3 PRO 73 2HG PRO 73 -9.059 15.027 -0.794 561 HD2 PRO 73 1HD PRO 73 -8.708 13.277 -3.193 562 HD3 PRO 73 2HD PRO 73 -8.095 13.062 -1.541 563 H ASN 74 H ASN 74 -13.555 12.620 -0.948 564 HA ASN 74 HA ASN 74 -15.608 12.295 -1.851 565 HB2 ASN 74 1HB ASN 74 -14.488 13.851 -4.180 566 HB3 ASN 74 2HB ASN 74 -16.151 13.286 -4.097 567 HD21 ASN 74 2HD2 ASN 74 -17.547 14.177 -2.555 568 HD22 ASN 74 1HD2 ASN 74 -17.204 15.705 -1.813 569 H ILE 75 H ILE 75 -13.043 10.655 -2.591 570 HA ILE 75 HA ILE 75 -14.304 9.130 -4.766 571 HB ILE 75 HB ILE 75 -11.416 9.187 -3.877 572 HG12 ILE 75 1HG1 ILE 75 -12.048 11.141 -5.162 573 HG13 ILE 75 2HG1 ILE 75 -11.052 10.091 -6.165 574 HG21 ILE 75 1HG2 ILE 75 -12.066 6.930 -4.563 575 HG22 ILE 75 2HG2 ILE 75 -10.957 7.664 -5.721 576 HG23 ILE 75 3HG2 ILE 75 -12.678 7.571 -6.087 577 HD11 ILE 75 3HD1 ILE 75 -12.923 11.019 -7.415 578 HD12 ILE 75 1HD1 ILE 75 -14.054 10.296 -6.273 579 HD13 ILE 75 2HD1 ILE 75 -13.048 9.264 -7.291 580 H LYS 76 H LYS 76 -15.213 7.278 -4.290 581 HA LYS 76 HA LYS 76 -15.061 6.256 -1.597 582 HB2 LYS 76 1HB LYS 76 -17.210 6.322 -2.741 583 HB3 LYS 76 2HB LYS 76 -16.584 5.302 -4.029 584 HG2 LYS 76 1HG LYS 76 -16.179 3.550 -2.231 585 HG3 LYS 76 2HG LYS 76 -17.186 4.557 -1.186 586 HD2 LYS 76 1HD LYS 76 -19.023 4.393 -2.745 587 HD3 LYS 76 2HD LYS 76 -18.020 3.480 -3.871 588 HE2 LYS 76 1HE LYS 76 -17.768 1.733 -2.107 589 HE3 LYS 76 2HE LYS 76 -18.941 2.621 -1.137 590 HZ1 LYS 76 3HZ LYS 76 -19.411 1.409 -3.808 591 HZ2 LYS 76 1HZ LYS 76 -20.543 2.359 -2.971 592 HZ3 LYS 76 2HZ LYS 76 -20.042 0.873 -2.326 593 H ILE 77 H ILE 77 -13.505 4.925 -0.996 594 HA ILE 77 HA ILE 77 -12.085 3.360 -2.984 595 HB ILE 77 HB ILE 77 -10.731 4.541 -1.347 596 HG12 ILE 77 1HG1 ILE 77 -10.620 1.564 -0.837 597 HG13 ILE 77 2HG1 ILE 77 -9.959 2.361 -2.260 598 HG21 ILE 77 1HG2 ILE 77 -12.257 4.624 0.521 599 HG22 ILE 77 2HG2 ILE 77 -10.734 3.893 1.028 600 HG23 ILE 77 3HG2 ILE 77 -12.143 2.876 0.728 601 HD11 ILE 77 3HD1 ILE 77 -9.082 2.811 0.583 602 HD12 ILE 77 1HD1 ILE 77 -8.418 3.612 -0.842 603 HD13 ILE 77 2HD1 ILE 77 -8.224 1.870 -0.639 604 H VAL 78 H VAL 78 -12.721 1.410 -3.500 605 HA VAL 78 HA VAL 78 -14.652 0.032 -1.812 606 HB VAL 78 HB VAL 78 -13.628 -0.803 -4.528 607 HG11 VAL 78 1HG1 VAL 78 -14.727 -2.582 -3.327 608 HG12 VAL 78 2HG1 VAL 78 -15.761 -2.027 -4.644 609 HG13 VAL 78 3HG1 VAL 78 -16.108 -1.538 -2.985 610 HG21 VAL 78 3HG2 VAL 78 -16.018 0.910 -3.867 611 HG22 VAL 78 1HG2 VAL 78 -15.634 0.257 -5.458 612 HG23 VAL 78 2HG2 VAL 78 -14.554 1.430 -4.703 613 H GLU 79 H GLU 79 -11.571 -0.677 -3.425 614 HA GLU 79 HA GLU 79 -11.285 -3.053 -1.712 615 HB2 GLU 79 1HB GLU 79 -9.751 -2.391 -4.230 616 HB3 GLU 79 2HB GLU 79 -9.723 -3.908 -3.346 617 HG2 GLU 79 1HG GLU 79 -12.090 -2.774 -4.806 618 HG3 GLU 79 2HG GLU 79 -11.020 -4.038 -5.403 619 H ILE 80 H ILE 80 -9.496 -3.304 -0.459 620 HA ILE 80 HA ILE 80 -7.213 -1.529 -0.956 621 HB ILE 80 HB ILE 80 -7.972 -2.411 1.834 622 HG12 ILE 80 1HG1 ILE 80 -8.412 0.304 0.562 623 HG13 ILE 80 2HG1 ILE 80 -9.683 -0.842 0.977 624 HG21 ILE 80 1HG2 ILE 80 -5.615 -1.980 1.511 625 HG22 ILE 80 2HG2 ILE 80 -6.320 -0.689 2.484 626 HG23 ILE 80 3HG2 ILE 80 -5.971 -0.417 0.777 627 HD11 ILE 80 3HD1 ILE 80 -9.545 0.904 2.639 628 HD12 ILE 80 1HD1 ILE 80 -7.838 0.553 2.904 629 HD13 ILE 80 2HD1 ILE 80 -9.061 -0.639 3.345 630 H SER 81 H SER 81 -6.430 -3.264 -2.213 631 HA SER 81 HA SER 81 -5.713 -5.663 -0.679 632 HB2 SER 81 1HB SER 81 -6.244 -5.485 -3.650 633 HB3 SER 81 2HB SER 81 -5.924 -6.954 -2.725 634 HG SER 81 HG SER 81 -7.907 -5.860 -1.488 635 HA PRO 82 HA PRO 82 -4.443 -6.548 0.115 636 HB2 PRO 82 1HB PRO 82 -2.103 -7.055 1.318 637 HB3 PRO 82 2HB PRO 82 -2.588 -7.871 -0.170 638 HG2 PRO 82 1HG PRO 82 -0.536 -5.803 0.247 639 HG3 PRO 82 2HG PRO 82 -0.689 -6.984 -1.062 640 HD2 PRO 82 1HD PRO 82 -1.464 -4.207 -1.051 641 HD3 PRO 82 2HD PRO 82 -1.559 -5.372 -2.385 642 H ARG 83 H ARG 83 -4.732 -6.268 2.351 643 HA ARG 83 HA ARG 83 -4.040 -3.619 3.391 644 HB2 ARG 83 1HB ARG 83 -6.046 -5.708 4.144 645 HB3 ARG 83 2HB ARG 83 -5.531 -4.537 5.352 646 HG2 ARG 83 1HG ARG 83 -6.275 -2.715 3.962 647 HG3 ARG 83 2HG ARG 83 -6.693 -3.839 2.668 648 HD2 ARG 83 1HD ARG 83 -7.920 -3.904 5.417 649 HD3 ARG 83 2HD ARG 83 -8.626 -3.052 4.044 650 HE ARG 83 HE ARG 83 -8.386 -5.478 3.013 651 HH11 ARG 83 1HH1 ARG 83 -9.500 -4.525 6.193 652 HH12 ARG 83 2HH1 ARG 83 -10.609 -5.855 6.345 653 HH21 ARG 83 1HH2 ARG 83 -9.838 -7.208 3.196 654 HH22 ARG 83 2HH2 ARG 83 -10.796 -7.395 4.639 655 H VAL 84 H VAL 84 -3.411 -7.008 3.891 656 HA VAL 84 HA VAL 84 -1.540 -6.302 6.055 657 HB VAL 84 HB VAL 84 -2.960 -8.951 5.697 658 HG11 VAL 84 1HG1 VAL 84 -0.765 -9.155 6.743 659 HG12 VAL 84 2HG1 VAL 84 -2.052 -9.487 7.902 660 HG13 VAL 84 3HG1 VAL 84 -1.212 -7.936 7.936 661 HG21 VAL 84 3HG2 VAL 84 -4.219 -8.330 7.720 662 HG22 VAL 84 1HG2 VAL 84 -4.546 -7.246 6.369 663 HG23 VAL 84 2HG2 VAL 84 -3.478 -6.731 7.673 664 H VAL 85 H VAL 85 0.517 -6.591 5.541 665 HA VAL 85 HA VAL 85 1.168 -8.574 3.461 666 HB VAL 85 HB VAL 85 3.128 -7.133 2.866 667 HG11 VAL 85 1HG1 VAL 85 1.820 -5.534 1.533 668 HG12 VAL 85 2HG1 VAL 85 0.393 -5.916 2.496 669 HG13 VAL 85 3HG1 VAL 85 1.132 -7.157 1.483 670 HG21 VAL 85 3HG2 VAL 85 3.063 -4.760 3.496 671 HG22 VAL 85 1HG2 VAL 85 3.263 -5.803 4.904 672 HG23 VAL 85 2HG2 VAL 85 1.692 -5.084 4.555 673 H THR 86 H THR 86 2.829 -9.944 3.840 674 HA THR 86 HA THR 86 3.886 -10.012 6.545 675 HB THR 86 HB THR 86 4.417 -11.972 4.302 676 HG1 THR 86 HG1 THR 86 2.281 -11.898 6.213 677 HG21 THR 86 3HG2 THR 86 5.894 -12.161 6.248 678 HG22 THR 86 1HG2 THR 86 4.806 -13.545 6.139 679 HG23 THR 86 2HG2 THR 86 4.489 -12.263 7.309 680 H LEU 87 H LEU 87 5.555 -8.647 6.849 681 HA LEU 87 HA LEU 87 7.517 -8.319 4.691 682 HB2 LEU 87 1HB LEU 87 6.992 -6.639 7.142 683 HB3 LEU 87 2HB LEU 87 8.239 -6.310 5.955 684 HG LEU 87 HG LEU 87 5.263 -6.285 5.435 685 HD11 LEU 87 1HD1 LEU 87 5.985 -4.395 6.776 686 HD12 LEU 87 2HD1 LEU 87 5.586 -3.872 5.139 687 HD13 LEU 87 3HD1 LEU 87 7.273 -4.047 5.624 688 HD21 LEU 87 3HD2 LEU 87 5.859 -5.419 3.233 689 HD22 LEU 87 1HD2 LEU 87 6.537 -7.028 3.485 690 HD23 LEU 87 2HD2 LEU 87 7.571 -5.606 3.615 691 H GLN 88 H GLN 88 9.482 -9.130 4.858 692 HA GLN 88 HA GLN 88 10.290 -10.393 7.355 693 HB2 GLN 88 1HB GLN 88 11.552 -10.399 4.609 694 HB3 GLN 88 2HB GLN 88 12.146 -11.315 5.988 695 HG2 GLN 88 1HG GLN 88 10.151 -12.641 6.040 696 HG3 GLN 88 2HG GLN 88 9.402 -11.639 4.798 697 HE21 GLN 88 2HE2 GLN 88 9.953 -14.512 4.866 698 HE22 GLN 88 1HE2 GLN 88 10.921 -14.838 3.457 699 H LEU 89 H LEU 89 11.098 -8.959 8.768 700 HA LEU 89 HA LEU 89 12.889 -6.858 7.804 701 HB2 LEU 89 1HB LEU 89 11.603 -7.309 10.494 702 HB3 LEU 89 2HB LEU 89 12.690 -5.984 10.127 703 HG LEU 89 HG LEU 89 10.039 -6.455 8.774 704 HD11 LEU 89 1HD1 LEU 89 10.831 -4.470 10.895 705 HD12 LEU 89 2HD1 LEU 89 9.748 -5.846 11.108 706 HD13 LEU 89 3HD1 LEU 89 9.282 -4.513 10.053 707 HD21 LEU 89 3HD2 LEU 89 10.384 -4.189 7.897 708 HD22 LEU 89 1HD2 LEU 89 11.627 -5.312 7.345 709 HD23 LEU 89 2HD2 LEU 89 11.986 -4.163 8.633 710 H GLU 90 H GLU 90 14.995 -6.952 8.054 711 HA GLU 90 HA GLU 90 16.081 -8.933 9.949 712 HB2 GLU 90 1HB GLU 90 16.498 -8.767 7.160 713 HB3 GLU 90 2HB GLU 90 17.997 -8.248 7.922 714 HG2 GLU 90 1HG GLU 90 16.561 -10.866 8.299 715 HG3 GLU 90 2HG GLU 90 18.128 -10.597 7.541 716 H HIS 91 H HIS 91 18.582 -8.344 10.210 717 HA HIS 91 HA HIS 91 18.495 -5.870 11.697 718 HB2 HIS 91 1HB HIS 91 20.777 -7.828 11.341 719 HB3 HIS 91 2HB HIS 91 20.684 -6.548 12.544 720 HD1 HIS 91 HD1 HIS 91 19.196 -9.905 11.686 721 HD2 HIS 91 HD2 HIS 91 19.255 -7.179 14.833 722 HE1 HIS 91 HE1 HIS 91 18.179 -11.107 13.648 723 HE2 HIS 91 HE2 HIS 91 18.022 -9.368 15.469 724 H HIS 92 H HIS 92 18.905 -3.991 10.707 725 HA HIS 92 HA HIS 92 20.586 -3.904 8.350 726 HB2 HIS 92 1HB HIS 92 18.561 -2.476 8.539 727 HB3 HIS 92 2HB HIS 92 19.311 -1.624 9.885 728 HD1 HIS 92 HD1 HIS 92 19.740 -2.159 6.159 729 HD2 HIS 92 HD2 HIS 92 21.021 0.412 9.169 730 HE1 HIS 92 HE1 HIS 92 20.969 -0.305 4.992 731 HE2 HIS 92 HE2 HIS 92 21.710 1.261 6.820 732 H HIS 93 H HIS 93 20.966 -3.673 11.703 733 HA HIS 93 HA HIS 93 23.670 -2.580 11.336 734 HB2 HIS 93 1HB HIS 93 21.788 -1.278 12.739 735 HB3 HIS 93 2HB HIS 93 22.370 -2.357 14.003 736 HD1 HIS 93 HD1 HIS 93 24.634 -1.838 15.048 737 HD2 HIS 93 HD2 HIS 93 23.722 0.566 11.773 738 HE1 HIS 93 HE1 HIS 93 26.385 -0.028 15.020 739 HE2 HIS 93 HE2 HIS 93 25.908 1.318 12.935 740 H HIS 94 H HIS 94 24.878 -4.341 11.313 741 HA HIS 94 HA HIS 94 25.958 -6.221 11.954 742 HB2 HIS 94 1HB HIS 94 26.159 -5.175 14.172 743 HB3 HIS 94 2HB HIS 94 24.592 -5.836 14.628 744 HD1 HIS 94 HD1 HIS 94 24.554 -8.187 15.540 745 HD2 HIS 94 HD2 HIS 94 28.208 -7.182 13.821 746 HE1 HIS 94 HE1 HIS 94 26.116 -10.074 16.106 747 HE2 HIS 94 HE2 HIS 94 28.354 -9.383 15.175 748 H HIS 95 H HIS 95 25.339 -7.930 10.898 749 HA HIS 95 HA HIS 95 22.724 -9.134 11.517 750 HB2 HIS 95 1HB HIS 95 22.697 -8.420 9.260 751 HB3 HIS 95 2HB HIS 95 24.329 -8.996 8.969 752 HD1 HIS 95 HD1 HIS 95 20.781 -10.277 9.348 753 HD2 HIS 95 HD2 HIS 95 24.521 -11.560 8.049 754 HE1 HIS 95 HE1 HIS 95 20.391 -12.483 8.213 755 HE2 HIS 95 HE2 HIS 95 22.619 -13.082 7.197 756 H HIS 96 H HIS 96 25.909 -10.132 10.241 757 HA HIS 96 HA HIS 96 26.512 -11.949 12.279 758 HB2 HIS 96 1HB HIS 96 24.587 -13.238 11.449 759 HB3 HIS 96 2HB HIS 96 25.279 -13.245 9.832 760 HD1 HIS 96 HD1 HIS 96 25.873 -14.678 13.282 761 HD2 HIS 96 HD2 HIS 96 27.108 -15.240 9.345 762 HE1 HIS 96 HE1 HIS 96 27.206 -16.810 13.282 763 HE2 HIS 96 HE2 HIS 96 27.901 -17.162 10.889 Start of MODEL 3 1 H1 SER 1 1H SER 1 -12.926 14.883 -22.568 2 H2 SER 1 2H SER 1 -12.470 13.409 -21.872 3 H3 SER 1 3H SER 1 -11.387 14.710 -21.879 4 HA SER 1 HA SER 1 -12.838 15.970 -20.444 5 HB2 SER 1 1HB SER 1 -14.743 14.709 -19.359 6 HB3 SER 1 2HB SER 1 -14.984 15.097 -21.063 7 HG SER 1 HG SER 1 -15.082 12.715 -19.912 8 H SER 2 H SER 2 -12.254 12.459 -20.106 9 HA SER 2 HA SER 2 -10.531 13.024 -17.823 10 HB2 SER 2 1HB SER 2 -11.707 11.348 -16.413 11 HB3 SER 2 2HB SER 2 -12.726 12.739 -16.794 12 HG SER 2 HG SER 2 -14.051 11.457 -17.815 13 H GLN 3 H GLN 3 -11.728 10.879 -20.282 14 HA GLN 3 HA GLN 3 -10.968 8.990 -21.254 15 HB2 GLN 3 1HB GLN 3 -8.383 9.723 -19.873 16 HB3 GLN 3 2HB GLN 3 -8.547 8.422 -21.045 17 HG2 GLN 3 1HG GLN 3 -9.096 11.333 -21.580 18 HG3 GLN 3 2HG GLN 3 -7.634 10.459 -22.040 19 HE21 GLN 3 2HE2 GLN 3 -9.677 11.833 -23.661 20 HE22 GLN 3 1HE2 GLN 3 -10.227 10.645 -24.798 21 H THR 4 H THR 4 -11.897 9.212 -18.333 22 HA THR 4 HA THR 4 -10.916 6.725 -17.220 23 HB THR 4 HB THR 4 -13.184 8.433 -16.180 24 HG1 THR 4 HG1 THR 4 -10.493 8.948 -16.309 25 HG21 THR 4 3HG2 THR 4 -11.270 6.539 -14.808 26 HG22 THR 4 1HG2 THR 4 -12.962 6.204 -15.178 27 HG23 THR 4 2HG2 THR 4 -12.546 7.468 -14.022 28 H LEU 5 H LEU 5 -11.585 5.194 -18.700 29 HA LEU 5 HA LEU 5 -14.200 5.018 -19.768 30 HB2 LEU 5 1HB LEU 5 -12.098 2.869 -19.464 31 HB3 LEU 5 2HB LEU 5 -13.518 2.766 -20.489 32 HG LEU 5 HG LEU 5 -11.295 4.782 -20.833 33 HD11 LEU 5 1HD1 LEU 5 -11.891 2.268 -22.385 34 HD12 LEU 5 2HD1 LEU 5 -10.524 2.519 -21.299 35 HD13 LEU 5 3HD1 LEU 5 -10.657 3.464 -22.783 36 HD21 LEU 5 3HD2 LEU 5 -12.363 5.230 -22.988 37 HD22 LEU 5 1HD2 LEU 5 -13.447 5.584 -21.642 38 HD23 LEU 5 2HD2 LEU 5 -13.660 4.106 -22.580 39 H ASP 6 H ASP 6 -12.568 3.005 -17.326 40 HA ASP 6 HA ASP 6 -15.119 2.096 -16.307 41 HB2 ASP 6 1HB ASP 6 -13.633 0.902 -14.606 42 HB3 ASP 6 2HB ASP 6 -13.468 0.403 -16.284 43 H ARG 7 H ARG 7 -16.197 2.999 -14.713 44 HA ARG 7 HA ARG 7 -15.139 5.524 -13.688 45 HB2 ARG 7 1HB ARG 7 -17.945 4.387 -13.642 46 HB3 ARG 7 2HB ARG 7 -17.486 6.030 -13.193 47 HG2 ARG 7 1HG ARG 7 -17.188 6.691 -15.338 48 HG3 ARG 7 2HG ARG 7 -16.651 5.099 -15.869 49 HD2 ARG 7 1HD ARG 7 -19.225 4.562 -15.276 50 HD3 ARG 7 2HD ARG 7 -19.359 6.255 -15.760 51 HE ARG 7 HE ARG 7 -17.778 4.828 -17.621 52 HH11 ARG 7 1HH1 ARG 7 -21.110 5.354 -16.673 53 HH12 ARG 7 2HH1 ARG 7 -21.755 4.814 -18.199 54 HH21 ARG 7 1HH2 ARG 7 -18.613 4.128 -19.622 55 HH22 ARG 7 2HH2 ARG 7 -20.337 4.106 -19.870 56 H ASP 8 H ASP 8 -15.427 2.384 -12.723 57 HA ASP 8 HA ASP 8 -14.808 3.227 -9.986 58 HB2 ASP 8 1HB ASP 8 -15.619 0.866 -9.307 59 HB3 ASP 8 2HB ASP 8 -16.829 2.101 -9.618 60 HA PRO 9 HA PRO 9 -11.341 1.167 -12.137 61 HB2 PRO 9 1HB PRO 9 -9.597 3.285 -11.414 62 HB3 PRO 9 2HB PRO 9 -10.345 3.000 -12.984 63 HG2 PRO 9 1HG PRO 9 -10.889 5.146 -11.294 64 HG3 PRO 9 2HG PRO 9 -11.902 4.610 -12.643 65 HD2 PRO 9 1HD PRO 9 -12.199 4.089 -9.724 66 HD3 PRO 9 2HD PRO 9 -13.447 4.343 -10.964 67 H THR 10 H THR 10 -9.581 0.048 -11.430 68 HA THR 10 HA THR 10 -9.099 -0.010 -8.550 69 HB THR 10 HB THR 10 -8.000 -1.833 -10.706 70 HG1 THR 10 HG1 THR 10 -9.621 -3.302 -9.789 71 HG21 THR 10 3HG2 THR 10 -6.655 -1.800 -8.661 72 HG22 THR 10 1HG2 THR 10 -7.495 -3.340 -8.843 73 HG23 THR 10 2HG2 THR 10 -8.096 -2.137 -7.702 74 H LEU 11 H LEU 11 -7.599 1.370 -7.836 75 HA LEU 11 HA LEU 11 -5.584 2.376 -9.674 76 HB2 LEU 11 1HB LEU 11 -6.216 3.150 -6.826 77 HB3 LEU 11 2HB LEU 11 -5.041 3.952 -7.852 78 HG LEU 11 HG LEU 11 -8.013 3.828 -8.338 79 HD11 LEU 11 1HD1 LEU 11 -7.962 6.225 -7.883 80 HD12 LEU 11 2HD1 LEU 11 -6.240 6.122 -7.518 81 HD13 LEU 11 3HD1 LEU 11 -7.409 5.298 -6.487 82 HD21 LEU 11 3HD2 LEU 11 -7.579 5.387 -10.168 83 HD22 LEU 11 1HD2 LEU 11 -6.770 3.843 -10.429 84 HD23 LEU 11 2HD2 LEU 11 -5.845 5.241 -9.881 85 H THR 12 H THR 12 -3.452 2.036 -9.532 86 HA THR 12 HA THR 12 -2.595 -0.063 -7.663 87 HB THR 12 HB THR 12 -1.125 0.883 -10.129 88 HG1 THR 12 HG1 THR 12 -3.406 -0.117 -10.295 89 HG21 THR 12 3HG2 THR 12 -0.048 -1.313 -9.988 90 HG22 THR 12 1HG2 THR 12 -0.988 -1.687 -8.542 91 HG23 THR 12 2HG2 THR 12 0.206 -0.390 -8.506 92 H LEU 13 H LEU 13 -2.025 1.016 -5.851 93 HA LEU 13 HA LEU 13 -0.302 3.384 -6.089 94 HB2 LEU 13 1HB LEU 13 -1.732 2.357 -3.639 95 HB3 LEU 13 2HB LEU 13 -0.959 3.918 -3.835 96 HG LEU 13 HG LEU 13 -3.463 2.978 -5.237 97 HD11 LEU 13 1HD1 LEU 13 -3.029 5.095 -3.138 98 HD12 LEU 13 2HD1 LEU 13 -3.803 3.530 -2.890 99 HD13 LEU 13 3HD1 LEU 13 -4.556 4.731 -3.941 100 HD21 LEU 13 3HD2 LEU 13 -3.588 5.242 -6.145 101 HD22 LEU 13 1HD2 LEU 13 -2.138 4.404 -6.700 102 HD23 LEU 13 2HD2 LEU 13 -2.023 5.619 -5.426 103 H SER 14 H SER 14 1.804 3.117 -5.753 104 HA SER 14 HA SER 14 2.943 0.667 -4.983 105 HB2 SER 14 1HB SER 14 4.199 3.419 -5.039 106 HB3 SER 14 2HB SER 14 5.077 1.890 -4.980 107 HG SER 14 HG SER 14 3.835 1.395 -6.985 108 H LEU 15 H LEU 15 3.796 -0.075 -3.108 109 HA LEU 15 HA LEU 15 2.916 1.193 -0.660 110 HB2 LEU 15 1HB LEU 15 2.768 -1.264 -1.046 111 HB3 LEU 15 2HB LEU 15 4.517 -1.334 -1.079 112 HG LEU 15 HG LEU 15 4.556 -0.531 1.273 113 HD11 LEU 15 1HD1 LEU 15 1.570 -0.909 1.096 114 HD12 LEU 15 2HD1 LEU 15 2.412 0.629 1.294 115 HD13 LEU 15 3HD1 LEU 15 2.486 -0.590 2.568 116 HD21 LEU 15 3HD2 LEU 15 3.814 -2.647 2.253 117 HD22 LEU 15 1HD2 LEU 15 4.710 -2.908 0.756 118 HD23 LEU 15 2HD2 LEU 15 2.950 -3.034 0.764 119 H ILE 16 H ILE 16 4.131 2.531 0.516 120 HA ILE 16 HA ILE 16 7.003 2.672 -0.112 121 HB ILE 16 HB ILE 16 6.927 4.995 0.755 122 HG12 ILE 16 1HG1 ILE 16 3.925 4.586 0.744 123 HG13 ILE 16 2HG1 ILE 16 4.921 4.714 2.191 124 HG21 ILE 16 1HG2 ILE 16 5.796 5.951 -1.203 125 HG22 ILE 16 2HG2 ILE 16 5.045 4.386 -1.522 126 HG23 ILE 16 3HG2 ILE 16 6.796 4.563 -1.629 127 HD11 ILE 16 3HD1 ILE 16 4.491 6.855 0.123 128 HD12 ILE 16 1HD1 ILE 16 5.551 6.993 1.526 129 HD13 ILE 16 2HD1 ILE 16 3.811 6.805 1.750 130 H ALA 17 H ALA 17 8.514 2.792 1.492 131 HA ALA 17 HA ALA 17 7.802 1.710 4.063 132 HB1 ALA 17 3HB ALA 17 9.866 1.025 2.948 133 HB2 ALA 17 1HB ALA 17 10.202 1.770 4.511 134 HB3 ALA 17 2HB ALA 17 10.460 2.683 3.024 135 H LYS 18 H LYS 18 6.592 3.179 5.173 136 HA LYS 18 HA LYS 18 7.588 5.914 5.409 137 HB2 LYS 18 1HB LYS 18 5.275 5.816 4.838 138 HB3 LYS 18 2HB LYS 18 4.946 4.634 6.098 139 HG2 LYS 18 1HG LYS 18 5.352 6.285 7.809 140 HG3 LYS 18 2HG LYS 18 5.807 7.476 6.590 141 HD2 LYS 18 1HD LYS 18 3.574 7.489 5.701 142 HD3 LYS 18 2HD LYS 18 3.099 6.163 6.765 143 HE2 LYS 18 1HE LYS 18 4.075 8.834 7.751 144 HE3 LYS 18 2HE LYS 18 2.373 8.447 7.505 145 HZ1 LYS 18 3HZ LYS 18 4.140 6.843 9.272 146 HZ2 LYS 18 1HZ LYS 18 2.451 6.806 9.176 147 HZ3 LYS 18 2HZ LYS 18 3.233 8.159 9.831 148 H ASN 19 H ASN 19 8.531 6.662 7.166 149 HA ASN 19 HA ASN 19 9.313 6.868 9.292 150 HB2 ASN 19 1HB ASN 19 6.838 6.983 9.717 151 HB3 ASN 19 2HB ASN 19 6.865 5.260 10.062 152 HD21 ASN 19 2HD2 ASN 19 6.117 5.619 12.136 153 HD22 ASN 19 1HD2 ASN 19 7.150 6.234 13.387 154 H THR 20 H THR 20 10.359 4.831 7.753 155 HA THR 20 HA THR 20 10.518 2.425 9.367 156 HB THR 20 HB THR 20 11.840 3.110 6.732 157 HG1 THR 20 HG1 THR 20 9.314 2.495 7.330 158 HG21 THR 20 3HG2 THR 20 11.530 0.454 8.142 159 HG22 THR 20 1HG2 THR 20 13.038 1.346 7.942 160 HG23 THR 20 2HG2 THR 20 12.206 0.691 6.531 161 HA PRO 21 HA PRO 21 14.095 4.005 11.521 162 HB2 PRO 21 1HB PRO 21 14.444 1.233 12.426 163 HB3 PRO 21 2HB PRO 21 14.119 2.688 13.371 164 HG2 PRO 21 1HG PRO 21 12.261 0.778 13.020 165 HG3 PRO 21 2HG PRO 21 11.837 2.496 13.135 166 HD2 PRO 21 1HD PRO 21 12.063 0.755 10.709 167 HD3 PRO 21 2HD PRO 21 10.851 1.995 11.100 168 H ALA 22 H ALA 22 16.406 3.237 11.900 169 HA ALA 22 HA ALA 22 17.468 2.314 9.339 170 HB1 ALA 22 3HB ALA 22 19.610 3.155 10.139 171 HB2 ALA 22 1HB ALA 22 18.896 3.507 11.712 172 HB3 ALA 22 2HB ALA 22 18.358 4.388 10.283 173 H ASN 23 H ASN 23 16.639 1.002 12.275 174 HA ASN 23 HA ASN 23 18.780 -0.957 12.373 175 HB2 ASN 23 1HB ASN 23 16.429 -0.319 14.118 176 HB3 ASN 23 2HB ASN 23 17.214 -1.889 14.258 177 HD21 ASN 23 2HD2 ASN 23 17.045 0.423 16.117 178 HD22 ASN 23 1HD2 ASN 23 18.690 0.775 16.520 179 H SER 24 H SER 24 15.634 -0.637 11.046 180 HA SER 24 HA SER 24 15.502 -3.535 10.578 181 HB2 SER 24 1HB SER 24 13.021 -3.134 10.300 182 HB3 SER 24 2HB SER 24 13.638 -2.879 11.934 183 HG SER 24 HG SER 24 13.243 -0.828 10.009 184 H MET 25 H MET 25 16.110 -4.002 8.595 185 HA MET 25 HA MET 25 15.461 -2.135 6.413 186 HB2 MET 25 1HB MET 25 17.853 -2.684 6.673 187 HB3 MET 25 2HB MET 25 17.477 -4.392 6.493 188 HG2 MET 25 1HG MET 25 16.608 -3.905 4.218 189 HG3 MET 25 2HG MET 25 17.154 -2.241 4.413 190 HE1 MET 25 3HE MET 25 18.873 -5.562 5.648 191 HE2 MET 25 1HE MET 25 19.964 -5.899 4.304 192 HE3 MET 25 2HE MET 25 18.219 -5.994 4.068 193 H ILE 26 H ILE 26 14.110 -2.781 4.810 194 HA ILE 26 HA ILE 26 12.577 -5.167 5.334 195 HB ILE 26 HB ILE 26 12.214 -3.290 3.002 196 HG12 ILE 26 1HG1 ILE 26 11.044 -3.069 5.787 197 HG13 ILE 26 2HG1 ILE 26 12.276 -2.006 5.114 198 HG21 ILE 26 1HG2 ILE 26 10.991 -5.397 2.888 199 HG22 ILE 26 2HG2 ILE 26 9.884 -4.049 3.145 200 HG23 ILE 26 3HG2 ILE 26 10.313 -5.105 4.489 201 HD11 ILE 26 3HD1 ILE 26 10.090 -0.958 5.043 202 HD12 ILE 26 1HD1 ILE 26 9.456 -2.307 4.100 203 HD13 ILE 26 2HD1 ILE 26 10.690 -1.253 3.411 204 H MET 27 H MET 27 13.083 -7.079 4.549 205 HA MET 27 HA MET 27 15.005 -7.435 2.455 206 HB2 MET 27 1HB MET 27 13.158 -9.423 3.795 207 HB3 MET 27 2HB MET 27 14.477 -9.843 2.712 208 HG2 MET 27 1HG MET 27 16.097 -8.990 4.259 209 HG3 MET 27 2HG MET 27 14.825 -8.368 5.310 210 HE1 MET 27 3HE MET 27 14.779 -11.813 3.405 211 HE2 MET 27 1HE MET 27 15.560 -12.866 4.583 212 HE3 MET 27 2HE MET 27 16.483 -11.583 3.800 213 H THR 28 H THR 28 11.547 -8.164 2.759 214 HA THR 28 HA THR 28 11.164 -8.787 0.019 215 HB THR 28 HB THR 28 9.054 -7.837 1.962 216 HG1 THR 28 HG1 THR 28 10.159 -10.454 1.595 217 HG21 THR 28 3HG2 THR 28 7.574 -9.266 0.619 218 HG22 THR 28 1HG2 THR 28 8.928 -9.669 -0.437 219 HG23 THR 28 2HG2 THR 28 8.329 -8.012 -0.366 220 H LYS 29 H LYS 29 11.496 -7.288 -1.532 221 HA LYS 29 HA LYS 29 11.277 -4.508 -1.118 222 HB2 LYS 29 1HB LYS 29 11.504 -6.231 -3.552 223 HB3 LYS 29 2HB LYS 29 11.127 -4.522 -3.732 224 HG2 LYS 29 1HG LYS 29 13.159 -3.934 -2.520 225 HG3 LYS 29 2HG LYS 29 13.536 -5.647 -2.319 226 HD2 LYS 29 1HD LYS 29 13.830 -5.936 -4.665 227 HD3 LYS 29 2HD LYS 29 13.178 -4.331 -5.004 228 HE2 LYS 29 1HE LYS 29 15.690 -4.827 -3.417 229 HE3 LYS 29 2HE LYS 29 15.672 -4.510 -5.151 230 HZ1 LYS 29 3HZ LYS 29 14.649 -2.670 -3.049 231 HZ2 LYS 29 1HZ LYS 29 14.636 -2.369 -4.718 232 HZ3 LYS 29 2HZ LYS 29 16.109 -2.500 -3.889 233 H LEU 30 H LEU 30 9.691 -3.095 -1.406 234 HA LEU 30 HA LEU 30 7.054 -4.084 -1.046 235 HB2 LEU 30 1HB LEU 30 7.941 -1.240 -1.516 236 HB3 LEU 30 2HB LEU 30 6.436 -1.764 -0.784 237 HG LEU 30 HG LEU 30 9.175 -2.200 0.412 238 HD11 LEU 30 1HD1 LEU 30 8.532 -0.488 2.020 239 HD12 LEU 30 2HD1 LEU 30 7.019 -0.231 1.149 240 HD13 LEU 30 3HD1 LEU 30 8.556 0.159 0.379 241 HD21 LEU 30 3HD2 LEU 30 7.943 -2.855 2.412 242 HD22 LEU 30 1HD2 LEU 30 7.554 -3.911 1.054 243 HD23 LEU 30 2HD2 LEU 30 6.419 -2.654 1.546 244 HA PRO 31 HA PRO 31 5.812 -3.700 -5.338 245 HB2 PRO 31 1HB PRO 31 3.555 -5.101 -5.124 246 HB3 PRO 31 2HB PRO 31 5.125 -5.900 -4.984 247 HG2 PRO 31 1HG PRO 31 3.171 -5.179 -2.858 248 HG3 PRO 31 2HG PRO 31 4.268 -6.565 -2.952 249 HD2 PRO 31 1HD PRO 31 4.683 -4.168 -1.513 250 HD3 PRO 31 2HD PRO 31 5.874 -5.447 -1.811 251 H SER 32 H SER 32 3.391 -3.279 -6.260 252 HA SER 32 HA SER 32 2.354 -0.942 -4.805 253 HB2 SER 32 1HB SER 32 1.890 -1.752 -7.688 254 HB3 SER 32 2HB SER 32 1.361 -0.253 -6.929 255 HG SER 32 HG SER 32 3.517 -0.496 -8.225 256 H VAL 33 H VAL 33 0.279 -0.903 -4.069 257 HA VAL 33 HA VAL 33 -1.141 -3.438 -4.090 258 HB VAL 33 HB VAL 33 -2.577 -2.531 -2.406 259 HG11 VAL 33 1HG1 VAL 33 -0.420 -3.239 -1.594 260 HG12 VAL 33 2HG1 VAL 33 -0.962 -1.834 -0.677 261 HG13 VAL 33 3HG1 VAL 33 0.265 -1.649 -1.929 262 HG21 VAL 33 3HG2 VAL 33 -1.319 0.155 -2.958 263 HG22 VAL 33 1HG2 VAL 33 -2.452 -0.196 -1.652 264 HG23 VAL 33 2HG2 VAL 33 -2.976 -0.324 -3.332 265 H ARG 34 H ARG 34 -3.202 -3.752 -4.925 266 HA ARG 34 HA ARG 34 -4.096 -1.660 -6.790 267 HB2 ARG 34 1HB ARG 34 -4.547 -4.648 -6.943 268 HB3 ARG 34 2HB ARG 34 -5.160 -3.465 -8.091 269 HG2 ARG 34 1HG ARG 34 -2.823 -2.829 -8.613 270 HG3 ARG 34 2HG ARG 34 -2.274 -4.127 -7.553 271 HD2 ARG 34 1HD ARG 34 -2.233 -4.887 -9.840 272 HD3 ARG 34 2HD ARG 34 -3.497 -5.745 -8.962 273 HE ARG 34 HE ARG 34 -5.119 -4.619 -10.203 274 HH11 ARG 34 1HH1 ARG 34 -1.893 -3.531 -11.019 275 HH12 ARG 34 2HH1 ARG 34 -2.378 -2.719 -12.471 276 HH21 ARG 34 1HH2 ARG 34 -5.779 -3.570 -12.137 277 HH22 ARG 34 2HH2 ARG 34 -4.598 -2.733 -13.106 278 H VAL 35 H VAL 35 -5.578 -0.525 -5.741 279 HA VAL 35 HA VAL 35 -7.642 -1.982 -4.224 280 HB VAL 35 HB VAL 35 -8.038 0.128 -2.998 281 HG11 VAL 35 1HG1 VAL 35 -5.141 -0.697 -2.889 282 HG12 VAL 35 2HG1 VAL 35 -6.465 -1.612 -2.174 283 HG13 VAL 35 3HG1 VAL 35 -6.101 0.011 -1.589 284 HG21 VAL 35 3HG2 VAL 35 -7.289 1.724 -4.673 285 HG22 VAL 35 1HG2 VAL 35 -5.633 1.137 -4.516 286 HG23 VAL 35 2HG2 VAL 35 -6.409 1.959 -3.162 287 H LYS 36 H LYS 36 -9.777 -1.673 -4.711 288 HA LYS 36 HA LYS 36 -10.306 -0.323 -7.225 289 HB2 LYS 36 1HB LYS 36 -11.276 -2.572 -6.757 290 HB3 LYS 36 2HB LYS 36 -12.216 -1.863 -5.451 291 HG2 LYS 36 1HG LYS 36 -13.325 -0.388 -7.089 292 HG3 LYS 36 2HG LYS 36 -12.432 -1.194 -8.381 293 HD2 LYS 36 1HD LYS 36 -13.483 -3.314 -7.803 294 HD3 LYS 36 2HD LYS 36 -14.342 -2.539 -6.470 295 HE2 LYS 36 1HE LYS 36 -15.858 -2.734 -8.305 296 HE3 LYS 36 2HE LYS 36 -15.424 -1.034 -8.136 297 HZ1 LYS 36 3HZ LYS 36 -14.478 -2.958 -10.180 298 HZ2 LYS 36 1HZ LYS 36 -13.718 -1.465 -9.919 299 HZ3 LYS 36 2HZ LYS 36 -15.333 -1.512 -10.419 300 H THR 37 H THR 37 -11.226 1.601 -7.416 301 HA THR 37 HA THR 37 -12.420 2.833 -5.022 302 HB THR 37 HB THR 37 -11.518 5.026 -5.895 303 HG1 THR 37 HG1 THR 37 -10.504 3.292 -7.794 304 HG21 THR 37 3HG2 THR 37 -10.489 3.893 -3.987 305 HG22 THR 37 1HG2 THR 37 -9.271 4.698 -4.975 306 HG23 THR 37 2HG2 THR 37 -9.480 2.950 -5.084 307 H GLU 38 H GLU 38 -13.683 4.901 -5.760 308 HA GLU 38 HA GLU 38 -14.890 4.525 -8.403 309 HB2 GLU 38 1HB GLU 38 -16.440 4.793 -5.823 310 HB3 GLU 38 2HB GLU 38 -17.149 4.982 -7.420 311 HG2 GLU 38 1HG GLU 38 -16.333 2.642 -7.912 312 HG3 GLU 38 2HG GLU 38 -15.987 2.506 -6.189 313 H GLY 39 H GLY 39 -15.326 6.388 -9.453 314 HA2 GLY 39 1HA GLY 39 -16.252 8.698 -9.120 315 HA3 GLY 39 2HA GLY 39 -14.985 8.886 -7.915 316 H TYR 40 H TYR 40 -14.736 10.794 -9.492 317 HA TYR 40 HA TYR 40 -12.837 10.021 -11.607 318 HB2 TYR 40 1HB TYR 40 -14.789 12.323 -11.502 319 HB3 TYR 40 2HB TYR 40 -13.448 12.266 -12.639 320 HD1 TYR 40 HD1 TYR 40 -13.405 10.544 -14.410 321 HD2 TYR 40 HD2 TYR 40 -16.766 11.017 -11.845 322 HE1 TYR 40 HE1 TYR 40 -14.787 9.282 -15.999 323 HE2 TYR 40 HE2 TYR 40 -18.158 9.752 -13.427 324 HH TYR 40 HH TYR 40 -18.192 9.184 -15.793 325 H ASN 41 H ASN 41 -10.817 10.703 -11.318 326 HA ASN 41 HA ASN 41 -10.371 13.081 -9.654 327 HB2 ASN 41 1HB ASN 41 -8.289 11.936 -8.772 328 HB3 ASN 41 2HB ASN 41 -9.818 11.289 -8.191 329 HD21 ASN 41 2HD2 ASN 41 -10.472 9.240 -8.858 330 HD22 ASN 41 1HD2 ASN 41 -9.385 8.125 -9.603 331 HA PRO 42 HA PRO 42 -8.228 13.159 -13.845 332 HB2 PRO 42 1HB PRO 42 -9.141 15.608 -14.615 333 HB3 PRO 42 2HB PRO 42 -10.005 14.103 -14.948 334 HG2 PRO 42 1HG PRO 42 -10.476 16.124 -12.796 335 HG3 PRO 42 2HG PRO 42 -11.655 15.249 -13.789 336 HD2 PRO 42 1HD PRO 42 -11.076 14.539 -11.242 337 HD3 PRO 42 2HD PRO 42 -11.542 13.358 -12.482 338 H SER 43 H SER 43 -8.597 15.519 -11.288 339 HA SER 43 HA SER 43 -6.183 16.932 -12.068 340 HB2 SER 43 1HB SER 43 -6.849 18.286 -9.953 341 HB3 SER 43 2HB SER 43 -7.853 18.418 -11.398 342 HG SER 43 HG SER 43 -8.460 17.406 -8.926 343 H ILE 44 H ILE 44 -6.766 14.163 -10.424 344 HA ILE 44 HA ILE 44 -4.650 14.663 -8.440 345 HB ILE 44 HB ILE 44 -6.751 12.486 -8.417 346 HG12 ILE 44 1HG1 ILE 44 -6.502 14.984 -6.722 347 HG13 ILE 44 2HG1 ILE 44 -7.685 14.737 -8.002 348 HG21 ILE 44 1HG2 ILE 44 -5.943 12.045 -6.140 349 HG22 ILE 44 2HG2 ILE 44 -4.682 13.257 -6.360 350 HG23 ILE 44 3HG2 ILE 44 -4.678 11.793 -7.343 351 HD11 ILE 44 3HD1 ILE 44 -8.674 14.406 -5.814 352 HD12 ILE 44 1HD1 ILE 44 -7.486 13.154 -5.449 353 HD13 ILE 44 2HD1 ILE 44 -8.671 12.899 -6.731 354 H ASN 45 H ASN 45 -2.764 13.685 -8.708 355 HA ASN 45 HA ASN 45 -2.441 11.835 -10.918 356 HB2 ASN 45 1HB ASN 45 -0.798 13.617 -10.654 357 HB3 ASN 45 2HB ASN 45 -0.400 13.041 -9.038 358 HD21 ASN 45 2HD2 ASN 45 1.767 12.842 -9.697 359 HD22 ASN 45 1HD2 ASN 45 2.288 11.508 -10.678 360 H VAL 46 H VAL 46 -2.834 9.795 -10.636 361 HA VAL 46 HA VAL 46 -3.125 8.485 -8.186 362 HB VAL 46 HB VAL 46 -2.540 7.219 -10.869 363 HG11 VAL 46 1HG1 VAL 46 -2.330 5.643 -9.038 364 HG12 VAL 46 2HG1 VAL 46 -3.784 5.301 -9.977 365 HG13 VAL 46 3HG1 VAL 46 -3.911 6.119 -8.420 366 HG21 VAL 46 3HG2 VAL 46 -5.183 7.997 -9.643 367 HG22 VAL 46 1HG2 VAL 46 -4.968 7.103 -11.147 368 HG23 VAL 46 2HG2 VAL 46 -4.408 8.772 -11.025 369 H ASN 47 H ASN 47 -0.300 9.025 -10.148 370 HA ASN 47 HA ASN 47 1.281 6.923 -9.051 371 HB2 ASN 47 1HB ASN 47 1.768 8.019 -11.230 372 HB3 ASN 47 2HB ASN 47 2.226 9.480 -10.362 373 HD21 ASN 47 2HD2 ASN 47 4.181 9.538 -9.262 374 HD22 ASN 47 1HD2 ASN 47 5.391 8.320 -9.450 375 H GLU 48 H GLU 48 0.535 10.169 -8.035 376 HA GLU 48 HA GLU 48 2.665 10.132 -6.047 377 HB2 GLU 48 1HB GLU 48 0.675 12.240 -6.865 378 HB3 GLU 48 2HB GLU 48 1.739 12.426 -5.475 379 HG2 GLU 48 1HG GLU 48 3.685 12.265 -6.876 380 HG3 GLU 48 2HG GLU 48 2.686 11.909 -8.284 381 H LEU 49 H LEU 49 -0.619 9.313 -6.338 382 HA LEU 49 HA LEU 49 -1.162 9.283 -3.513 383 HB2 LEU 49 1HB LEU 49 -2.424 7.719 -5.771 384 HB3 LEU 49 2HB LEU 49 -3.035 7.791 -4.129 385 HG LEU 49 HG LEU 49 -2.826 10.147 -6.005 386 HD11 LEU 49 1HD1 LEU 49 -4.502 8.550 -6.743 387 HD12 LEU 49 2HD1 LEU 49 -5.263 10.006 -6.104 388 HD13 LEU 49 3HD1 LEU 49 -5.217 8.536 -5.131 389 HD21 LEU 49 3HD2 LEU 49 -4.164 11.308 -4.318 390 HD22 LEU 49 1HD2 LEU 49 -2.617 10.781 -3.658 391 HD23 LEU 49 2HD2 LEU 49 -4.088 9.888 -3.276 392 H PHE 50 H PHE 50 -0.588 7.718 -2.057 393 HA PHE 50 HA PHE 50 0.721 5.324 -3.145 394 HB2 PHE 50 1HB PHE 50 1.837 7.213 -1.082 395 HB3 PHE 50 2HB PHE 50 2.428 5.569 -1.277 396 HD1 PHE 50 HD1 PHE 50 3.113 4.943 -3.748 397 HD2 PHE 50 HD2 PHE 50 2.900 8.904 -2.208 398 HE1 PHE 50 HE1 PHE 50 4.671 5.700 -5.494 399 HE2 PHE 50 HE2 PHE 50 4.456 9.669 -3.953 400 HZ PHE 50 HZ PHE 50 5.345 8.068 -5.598 401 H ALA 51 H ALA 51 0.999 3.589 -1.682 402 HA ALA 51 HA ALA 51 -0.819 3.606 0.635 403 HB1 ALA 51 3HB ALA 51 -0.758 1.157 0.488 404 HB2 ALA 51 1HB ALA 51 0.312 1.267 -0.907 405 HB3 ALA 51 2HB ALA 51 -1.340 1.873 -1.015 406 H TYR 52 H TYR 52 0.130 3.458 2.632 407 HA TYR 52 HA TYR 52 3.037 3.024 2.600 408 HB2 TYR 52 1HB TYR 52 3.162 4.775 4.424 409 HB3 TYR 52 2HB TYR 52 2.798 5.364 2.809 410 HD1 TYR 52 HD2 TYR 52 0.537 6.184 2.267 411 HD2 TYR 52 HD1 TYR 52 1.564 4.969 6.213 412 HE1 TYR 52 HE2 TYR 52 -1.448 7.344 3.134 413 HE2 TYR 52 HE1 TYR 52 -0.418 6.128 7.087 414 HH TYR 52 HH TYR 52 -2.937 7.190 5.134 415 H VAL 53 H VAL 53 3.959 1.946 4.241 416 HA VAL 53 HA VAL 53 2.179 0.957 6.365 417 HB VAL 53 HB VAL 53 3.946 -0.833 6.696 418 HG11 VAL 53 1HG1 VAL 53 2.489 -0.806 4.057 419 HG12 VAL 53 2HG1 VAL 53 1.811 -1.295 5.611 420 HG13 VAL 53 3HG1 VAL 53 3.112 -2.236 4.880 421 HG21 VAL 53 3HG2 VAL 53 5.772 0.249 5.484 422 HG22 VAL 53 1HG2 VAL 53 4.858 0.123 3.981 423 HG23 VAL 53 2HG2 VAL 53 5.413 -1.336 4.800 424 H ASP 54 H ASP 54 2.686 1.442 8.439 425 HA ASP 54 HA ASP 54 4.938 3.292 8.759 426 HB2 ASP 54 1HB ASP 54 2.664 4.062 9.447 427 HB3 ASP 54 2HB ASP 54 2.645 2.791 10.669 428 H LEU 55 H LEU 55 6.739 2.532 9.583 429 HA LEU 55 HA LEU 55 6.604 0.042 11.132 430 HB2 LEU 55 1HB LEU 55 8.948 1.235 9.652 431 HB3 LEU 55 2HB LEU 55 8.925 -0.320 10.463 432 HG LEU 55 HG LEU 55 7.348 0.446 8.003 433 HD11 LEU 55 1HD1 LEU 55 9.573 -1.547 8.418 434 HD12 LEU 55 2HD1 LEU 55 9.718 0.008 7.600 435 HD13 LEU 55 3HD1 LEU 55 8.703 -1.258 6.910 436 HD21 LEU 55 3HD2 LEU 55 6.025 -1.017 9.433 437 HD22 LEU 55 1HD2 LEU 55 7.373 -2.150 9.537 438 HD23 LEU 55 2HD2 LEU 55 6.573 -1.872 7.989 439 H SER 56 H SER 56 5.981 2.189 12.649 440 HA SER 56 HA SER 56 8.084 3.417 14.013 441 HB2 SER 56 1HB SER 56 5.382 2.503 15.026 442 HB3 SER 56 2HB SER 56 6.497 3.495 15.967 443 HG SER 56 HG SER 56 5.100 4.142 13.594 444 H GLY 57 H GLY 57 6.456 0.346 14.646 445 HA2 GLY 57 1HA GLY 57 8.502 -0.444 16.543 446 HA3 GLY 57 2HA GLY 57 7.112 -1.399 16.040 447 H SER 58 H SER 58 10.427 -0.710 15.524 448 HA SER 58 HA SER 58 10.707 -2.070 13.033 449 HB2 SER 58 1HB SER 58 13.199 -2.116 13.956 450 HB3 SER 58 2HB SER 58 12.466 -0.619 13.376 451 HG SER 58 HG SER 58 12.236 -1.377 16.089 452 H GLU 59 H GLU 59 9.701 -4.064 13.258 453 HA GLU 59 HA GLU 59 10.679 -5.856 15.369 454 HB2 GLU 59 1HB GLU 59 8.274 -6.148 13.567 455 HB3 GLU 59 2HB GLU 59 8.673 -7.158 14.949 456 HG2 GLU 59 1HG GLU 59 8.204 -5.434 16.475 457 HG3 GLU 59 2HG GLU 59 8.180 -4.211 15.204 458 HA PRO 60 HA PRO 60 13.027 -7.760 12.014 459 HB2 PRO 60 1HB PRO 60 14.328 -9.533 13.621 460 HB3 PRO 60 2HB PRO 60 14.831 -7.851 13.422 461 HG2 PRO 60 1HG PRO 60 13.233 -9.103 15.620 462 HG3 PRO 60 2HG PRO 60 14.543 -7.912 15.727 463 HD2 PRO 60 1HD PRO 60 11.942 -7.217 15.924 464 HD3 PRO 60 2HD PRO 60 13.154 -6.150 15.183 465 H GLY 61 H GLY 61 12.658 -9.541 10.811 466 HA2 GLY 61 1HA GLY 61 12.079 -11.878 10.605 467 HA3 GLY 61 2HA GLY 61 11.030 -11.692 12.005 468 H GLU 62 H GLU 62 9.602 -12.804 10.334 469 HA GLU 62 HA GLU 62 8.534 -11.023 8.311 470 HB2 GLU 62 1HB GLU 62 7.606 -13.801 9.056 471 HB3 GLU 62 2HB GLU 62 7.179 -12.905 7.607 472 HG2 GLU 62 1HG GLU 62 8.777 -14.266 6.751 473 HG3 GLU 62 2HG GLU 62 9.790 -12.912 7.250 474 H HIS 63 H HIS 63 7.557 -9.393 9.494 475 HA HIS 63 HA HIS 63 5.364 -10.205 11.278 476 HB2 HIS 63 1HB HIS 63 6.967 -7.657 11.109 477 HB3 HIS 63 2HB HIS 63 5.457 -7.756 12.008 478 HD1 HIS 63 HD1 HIS 63 5.664 -8.460 14.378 479 HD2 HIS 63 HD2 HIS 63 8.950 -9.609 12.109 480 HE1 HIS 63 HE1 HIS 63 7.290 -9.475 16.008 481 HE2 HIS 63 HE2 HIS 63 9.189 -10.323 14.582 482 H ASP 64 H ASP 64 3.326 -9.241 11.087 483 HA ASP 64 HA ASP 64 2.706 -8.560 8.316 484 HB2 ASP 64 1HB ASP 64 0.771 -9.058 10.586 485 HB3 ASP 64 2HB ASP 64 0.411 -9.046 8.864 486 H TYR 65 H TYR 65 2.411 -6.547 7.708 487 HA TYR 65 HA TYR 65 1.618 -4.562 9.735 488 HB2 TYR 65 1HB TYR 65 3.442 -4.221 7.345 489 HB3 TYR 65 2HB TYR 65 2.826 -2.882 8.310 490 HD1 TYR 65 HD2 TYR 65 3.457 -2.729 10.729 491 HD2 TYR 65 HD1 TYR 65 5.311 -5.490 8.075 492 HE1 TYR 65 HE2 TYR 65 5.313 -2.999 12.316 493 HE2 TYR 65 HE1 TYR 65 7.171 -5.770 9.659 494 HH TYR 65 HH TYR 65 7.028 -4.618 12.872 495 H GLU 66 H GLU 66 0.175 -2.894 9.024 496 HA GLU 66 HA GLU 66 -1.655 -4.042 7.051 497 HB2 GLU 66 1HB GLU 66 -2.136 -1.834 9.057 498 HB3 GLU 66 2HB GLU 66 -3.352 -2.585 8.034 499 HG2 GLU 66 1HG GLU 66 -2.908 -4.742 9.161 500 HG3 GLU 66 2HG GLU 66 -1.790 -3.907 10.241 501 H VAL 67 H VAL 67 -2.146 -3.107 5.189 502 HA VAL 67 HA VAL 67 -0.459 -1.011 4.230 503 HB VAL 67 HB VAL 67 -2.858 -2.299 2.915 504 HG11 VAL 67 1HG1 VAL 67 -0.633 -0.641 1.734 505 HG12 VAL 67 2HG1 VAL 67 -2.317 -0.148 1.916 506 HG13 VAL 67 3HG1 VAL 67 -1.896 -1.465 0.821 507 HG21 VAL 67 3HG2 VAL 67 0.081 -2.918 2.646 508 HG22 VAL 67 1HG2 VAL 67 -1.220 -3.659 1.713 509 HG23 VAL 67 2HG2 VAL 67 -1.121 -3.923 3.455 510 H LYS 68 H LYS 68 -0.796 0.986 4.961 511 HA LYS 68 HA LYS 68 -3.487 2.006 5.329 512 HB2 LYS 68 1HB LYS 68 -0.818 3.399 5.604 513 HB3 LYS 68 2HB LYS 68 -2.372 4.055 6.091 514 HG2 LYS 68 1HG LYS 68 -2.588 2.385 7.813 515 HG3 LYS 68 2HG LYS 68 -1.108 1.589 7.267 516 HD2 LYS 68 1HD LYS 68 0.192 3.561 7.834 517 HD3 LYS 68 2HD LYS 68 -1.275 4.418 8.306 518 HE2 LYS 68 1HE LYS 68 -0.196 1.927 9.620 519 HE3 LYS 68 2HE LYS 68 -0.029 3.568 10.242 520 HZ1 LYS 68 3HZ LYS 68 -2.530 3.655 10.223 521 HZ2 LYS 68 1HZ LYS 68 -1.837 2.606 11.365 522 HZ3 LYS 68 2HZ LYS 68 -2.510 1.983 9.942 523 H VAL 69 H VAL 69 -4.537 2.549 3.535 524 HA VAL 69 HA VAL 69 -3.116 3.622 1.240 525 HB VAL 69 HB VAL 69 -6.092 3.204 1.624 526 HG11 VAL 69 1HG1 VAL 69 -6.213 3.341 -0.810 527 HG12 VAL 69 2HG1 VAL 69 -4.478 3.649 -0.883 528 HG13 VAL 69 3HG1 VAL 69 -5.550 4.823 -0.122 529 HG21 VAL 69 3HG2 VAL 69 -5.793 1.167 0.282 530 HG22 VAL 69 1HG2 VAL 69 -4.914 1.090 1.810 531 HG23 VAL 69 2HG2 VAL 69 -4.047 1.418 0.310 532 H GLU 70 H GLU 70 -2.819 5.748 0.947 533 HA GLU 70 HA GLU 70 -3.637 7.622 2.882 534 HB2 GLU 70 1HB GLU 70 -1.628 7.823 1.393 535 HB3 GLU 70 2HB GLU 70 -2.713 8.210 0.064 536 HG2 GLU 70 1HG GLU 70 -3.340 10.251 1.020 537 HG3 GLU 70 2HG GLU 70 -2.698 9.805 2.600 538 HA PRO 71 HA PRO 71 -7.883 7.960 1.716 539 HB2 PRO 71 1HB PRO 71 -8.330 10.345 3.067 540 HB3 PRO 71 2HB PRO 71 -8.441 8.731 3.774 541 HG2 PRO 71 1HG PRO 71 -6.204 10.700 3.883 542 HG3 PRO 71 2HG PRO 71 -6.791 9.595 5.138 543 HD2 PRO 71 1HD PRO 71 -4.553 9.086 3.749 544 HD3 PRO 71 2HD PRO 71 -5.653 7.784 4.248 545 H ILE 72 H ILE 72 -8.178 8.440 -0.350 546 HA ILE 72 HA ILE 72 -7.242 10.900 -1.532 547 HB ILE 72 HB ILE 72 -9.091 8.882 -2.801 548 HG12 ILE 72 1HG1 ILE 72 -6.067 8.837 -2.869 549 HG13 ILE 72 2HG1 ILE 72 -7.039 7.788 -1.843 550 HG21 ILE 72 1HG2 ILE 72 -8.843 10.999 -3.980 551 HG22 ILE 72 2HG2 ILE 72 -8.077 9.691 -4.881 552 HG23 ILE 72 3HG2 ILE 72 -7.088 10.819 -3.956 553 HD11 ILE 72 3HD1 ILE 72 -6.314 6.634 -3.850 554 HD12 ILE 72 1HD1 ILE 72 -7.093 7.859 -4.851 555 HD13 ILE 72 2HD1 ILE 72 -8.069 6.807 -3.825 556 HA PRO 73 HA PRO 73 -11.038 12.935 -0.238 557 HB2 PRO 73 1HB PRO 73 -10.423 15.365 -1.313 558 HB3 PRO 73 2HB PRO 73 -9.792 14.799 0.236 559 HG2 PRO 73 1HG PRO 73 -8.485 14.806 -2.454 560 HG3 PRO 73 2HG PRO 73 -7.794 15.206 -0.871 561 HD2 PRO 73 1HD PRO 73 -7.383 12.820 -2.078 562 HD3 PRO 73 2HD PRO 73 -7.471 12.994 -0.312 563 H ASN 74 H ASN 74 -12.949 13.208 -1.211 564 HA ASN 74 HA ASN 74 -14.555 13.588 -2.784 565 HB2 ASN 74 1HB ASN 74 -13.073 15.363 -3.701 566 HB3 ASN 74 2HB ASN 74 -12.297 14.158 -4.721 567 HD21 ASN 74 2HD2 ASN 74 -12.857 15.183 -6.607 568 HD22 ASN 74 1HD2 ASN 74 -14.483 15.225 -7.203 569 H ILE 75 H ILE 75 -12.350 11.182 -2.746 570 HA ILE 75 HA ILE 75 -13.651 9.713 -4.944 571 HB ILE 75 HB ILE 75 -10.842 9.399 -3.867 572 HG12 ILE 75 1HG1 ILE 75 -11.103 11.329 -5.332 573 HG13 ILE 75 2HG1 ILE 75 -10.172 10.075 -6.144 574 HG21 ILE 75 1HG2 ILE 75 -10.518 7.703 -5.597 575 HG22 ILE 75 2HG2 ILE 75 -12.221 7.824 -6.037 576 HG23 ILE 75 3HG2 ILE 75 -11.763 7.219 -4.446 577 HD11 ILE 75 3HD1 ILE 75 -11.752 11.113 -7.658 578 HD12 ILE 75 1HD1 ILE 75 -13.086 10.682 -6.588 579 HD13 ILE 75 2HD1 ILE 75 -12.162 9.417 -7.398 580 H LYS 76 H LYS 76 -14.323 7.623 -4.573 581 HA LYS 76 HA LYS 76 -14.616 6.879 -1.751 582 HB2 LYS 76 1HB LYS 76 -16.679 7.025 -3.013 583 HB3 LYS 76 2HB LYS 76 -16.034 5.974 -4.265 584 HG2 LYS 76 1HG LYS 76 -15.952 4.130 -2.633 585 HG3 LYS 76 2HG LYS 76 -16.688 5.197 -1.433 586 HD2 LYS 76 1HD LYS 76 -18.654 5.454 -2.841 587 HD3 LYS 76 2HD LYS 76 -17.913 4.446 -4.085 588 HE2 LYS 76 1HE LYS 76 -19.493 3.137 -2.814 589 HE3 LYS 76 2HE LYS 76 -17.856 2.569 -2.493 590 HZ1 LYS 76 3HZ LYS 76 -19.133 2.711 -0.466 591 HZ2 LYS 76 1HZ LYS 76 -19.456 4.354 -0.735 592 HZ3 LYS 76 2HZ LYS 76 -17.869 3.838 -0.426 593 H ILE 77 H ILE 77 -13.718 5.018 -0.932 594 HA ILE 77 HA ILE 77 -12.144 3.391 -2.807 595 HB ILE 77 HB ILE 77 -10.839 4.370 -0.968 596 HG12 ILE 77 1HG1 ILE 77 -11.158 1.373 -0.674 597 HG13 ILE 77 2HG1 ILE 77 -10.213 2.170 -1.927 598 HG21 ILE 77 1HG2 ILE 77 -12.641 2.767 0.837 599 HG22 ILE 77 2HG2 ILE 77 -12.577 4.525 0.718 600 HG23 ILE 77 3HG2 ILE 77 -11.190 3.633 1.343 601 HD11 ILE 77 3HD1 ILE 77 -9.687 2.301 1.034 602 HD12 ILE 77 1HD1 ILE 77 -8.737 3.100 -0.220 603 HD13 ILE 77 2HD1 ILE 77 -8.795 1.337 -0.144 604 H VAL 78 H VAL 78 -12.576 1.269 -3.087 605 HA VAL 78 HA VAL 78 -15.032 0.295 -1.806 606 HB VAL 78 HB VAL 78 -13.676 -0.779 -4.281 607 HG11 VAL 78 1HG1 VAL 78 -15.090 -2.404 -3.159 608 HG12 VAL 78 2HG1 VAL 78 -15.820 -1.893 -4.681 609 HG13 VAL 78 3HG1 VAL 78 -16.431 -1.259 -3.153 610 HG21 VAL 78 3HG2 VAL 78 -16.007 1.123 -4.064 611 HG22 VAL 78 1HG2 VAL 78 -15.426 0.375 -5.552 612 HG23 VAL 78 2HG2 VAL 78 -14.396 1.505 -4.674 613 H GLU 79 H GLU 79 -11.941 -1.064 -2.996 614 HA GLU 79 HA GLU 79 -12.067 -3.003 -0.794 615 HB2 GLU 79 1HB GLU 79 -13.078 -3.874 -2.983 616 HB3 GLU 79 2HB GLU 79 -11.440 -3.843 -3.618 617 HG2 GLU 79 1HG GLU 79 -10.728 -5.401 -1.894 618 HG3 GLU 79 2HG GLU 79 -12.359 -5.414 -1.224 619 H ILE 80 H ILE 80 -10.095 -3.747 -0.074 620 HA ILE 80 HA ILE 80 -7.759 -2.338 -1.185 621 HB ILE 80 HB ILE 80 -8.145 -3.329 1.645 622 HG12 ILE 80 1HG1 ILE 80 -8.242 -0.503 0.565 623 HG13 ILE 80 2HG1 ILE 80 -9.643 -1.437 1.074 624 HG21 ILE 80 1HG2 ILE 80 -5.981 -1.625 0.415 625 HG22 ILE 80 2HG2 ILE 80 -5.811 -3.291 0.970 626 HG23 ILE 80 3HG2 ILE 80 -6.135 -2.003 2.131 627 HD11 ILE 80 3HD1 ILE 80 -7.369 -0.548 2.830 628 HD12 ILE 80 1HD1 ILE 80 -8.752 -1.512 3.349 629 HD13 ILE 80 2HD1 ILE 80 -8.991 0.141 2.783 630 H SER 81 H SER 81 -6.170 -3.565 -2.020 631 HA SER 81 HA SER 81 -5.757 -6.263 -1.013 632 HB2 SER 81 1HB SER 81 -6.265 -5.683 -3.942 633 HB3 SER 81 2HB SER 81 -5.745 -7.236 -3.285 634 HG SER 81 HG SER 81 -7.954 -6.235 -2.022 635 HA PRO 82 HA PRO 82 -4.471 -7.213 -0.225 636 HB2 PRO 82 1HB PRO 82 -2.021 -7.010 1.255 637 HB3 PRO 82 2HB PRO 82 -2.585 -8.360 0.269 638 HG2 PRO 82 1HG PRO 82 -0.406 -6.794 -0.342 639 HG3 PRO 82 2HG PRO 82 -1.337 -7.723 -1.528 640 HD2 PRO 82 1HD PRO 82 -1.489 -4.808 -0.859 641 HD3 PRO 82 2HD PRO 82 -1.573 -5.607 -2.444 642 H ARG 83 H ARG 83 -4.578 -7.138 2.226 643 HA ARG 83 HA ARG 83 -5.052 -4.352 3.036 644 HB2 ARG 83 1HB ARG 83 -5.968 -6.879 4.418 645 HB3 ARG 83 2HB ARG 83 -6.562 -5.243 4.679 646 HG2 ARG 83 1HG ARG 83 -7.611 -5.196 2.550 647 HG3 ARG 83 2HG ARG 83 -6.830 -6.700 2.067 648 HD2 ARG 83 1HD ARG 83 -8.060 -7.791 3.992 649 HD3 ARG 83 2HD ARG 83 -8.999 -6.301 4.107 650 HE ARG 83 HE ARG 83 -9.186 -6.988 1.484 651 HH11 ARG 83 1HH1 ARG 83 -9.897 -8.633 4.497 652 HH12 ARG 83 2HH1 ARG 83 -11.116 -9.649 3.798 653 HH21 ARG 83 1HH2 ARG 83 -10.774 -8.335 0.555 654 HH22 ARG 83 2HH2 ARG 83 -11.624 -9.485 1.560 655 H VAL 84 H VAL 84 -3.616 -7.375 4.170 656 HA VAL 84 HA VAL 84 -1.765 -5.798 5.828 657 HB VAL 84 HB VAL 84 -2.900 -8.513 6.544 658 HG11 VAL 84 1HG1 VAL 84 -0.608 -8.248 7.300 659 HG12 VAL 84 2HG1 VAL 84 -1.718 -8.212 8.670 660 HG13 VAL 84 3HG1 VAL 84 -1.019 -6.711 8.061 661 HG21 VAL 84 3HG2 VAL 84 -3.420 -5.808 7.772 662 HG22 VAL 84 1HG2 VAL 84 -3.979 -7.349 8.424 663 HG23 VAL 84 2HG2 VAL 84 -4.571 -6.786 6.862 664 H VAL 85 H VAL 85 0.316 -6.151 5.321 665 HA VAL 85 HA VAL 85 0.904 -8.501 3.644 666 HB VAL 85 HB VAL 85 2.816 -7.192 2.718 667 HG11 VAL 85 1HG1 VAL 85 0.076 -5.999 2.325 668 HG12 VAL 85 2HG1 VAL 85 0.741 -7.395 1.476 669 HG13 VAL 85 3HG1 VAL 85 1.448 -5.796 1.235 670 HG21 VAL 85 3HG2 VAL 85 1.503 -4.885 4.150 671 HG22 VAL 85 1HG2 VAL 85 2.810 -4.753 2.974 672 HG23 VAL 85 2HG2 VAL 85 3.087 -5.568 4.512 673 H THR 86 H THR 86 2.583 -9.791 4.141 674 HA THR 86 HA THR 86 3.767 -9.463 6.765 675 HB THR 86 HB THR 86 4.186 -11.687 4.755 676 HG1 THR 86 HG1 THR 86 2.374 -11.525 6.970 677 HG21 THR 86 3HG2 THR 86 4.671 -11.554 7.734 678 HG22 THR 86 1HG2 THR 86 5.912 -11.586 6.481 679 HG23 THR 86 2HG2 THR 86 4.870 -12.988 6.726 680 H LEU 87 H LEU 87 5.439 -8.106 6.879 681 HA LEU 87 HA LEU 87 7.329 -7.991 4.634 682 HB2 LEU 87 1HB LEU 87 6.931 -6.093 6.949 683 HB3 LEU 87 2HB LEU 87 8.105 -5.883 5.664 684 HG LEU 87 HG LEU 87 5.104 -5.865 5.344 685 HD11 LEU 87 1HD1 LEU 87 5.417 -3.508 4.780 686 HD12 LEU 87 2HD1 LEU 87 7.140 -3.654 5.131 687 HD13 LEU 87 3HD1 LEU 87 5.955 -3.860 6.421 688 HD21 LEU 87 3HD2 LEU 87 6.148 -6.825 3.385 689 HD22 LEU 87 1HD2 LEU 87 7.295 -5.487 3.307 690 HD23 LEU 87 2HD2 LEU 87 5.580 -5.196 3.023 691 H GLN 88 H GLN 88 9.295 -8.815 4.826 692 HA GLN 88 HA GLN 88 10.099 -9.935 7.389 693 HB2 GLN 88 1HB GLN 88 11.602 -10.111 4.778 694 HB3 GLN 88 2HB GLN 88 11.749 -11.161 6.180 695 HG2 GLN 88 1HG GLN 88 9.414 -11.921 5.771 696 HG3 GLN 88 2HG GLN 88 9.427 -10.985 4.278 697 HE21 GLN 88 2HE2 GLN 88 9.075 -13.822 4.580 698 HE22 GLN 88 1HE2 GLN 88 10.365 -14.582 3.705 699 H LEU 89 H LEU 89 10.992 -8.467 8.710 700 HA LEU 89 HA LEU 89 12.768 -6.441 7.580 701 HB2 LEU 89 1HB LEU 89 11.587 -6.750 10.335 702 HB3 LEU 89 2HB LEU 89 12.731 -5.493 9.901 703 HG LEU 89 HG LEU 89 9.980 -5.865 8.729 704 HD11 LEU 89 1HD1 LEU 89 9.478 -3.752 9.848 705 HD12 LEU 89 2HD1 LEU 89 11.098 -3.737 10.549 706 HD13 LEU 89 3HD1 LEU 89 9.950 -4.996 11.007 707 HD21 LEU 89 3HD2 LEU 89 11.545 -5.011 7.070 708 HD22 LEU 89 1HD2 LEU 89 12.052 -3.745 8.188 709 HD23 LEU 89 2HD2 LEU 89 10.402 -3.761 7.564 710 H GLU 90 H GLU 90 14.848 -6.581 7.657 711 HA GLU 90 HA GLU 90 16.085 -8.578 9.440 712 HB2 GLU 90 1HB GLU 90 16.395 -8.829 6.939 713 HB3 GLU 90 2HB GLU 90 17.290 -7.316 6.968 714 HG2 GLU 90 1HG GLU 90 18.913 -8.321 8.504 715 HG3 GLU 90 2HG GLU 90 18.025 -9.843 8.427 716 H HIS 91 H HIS 91 18.070 -7.949 10.517 717 HA HIS 91 HA HIS 91 17.940 -5.235 11.450 718 HB2 HIS 91 1HB HIS 91 19.680 -7.586 12.122 719 HB3 HIS 91 2HB HIS 91 20.094 -5.978 12.699 720 HD1 HIS 91 HD1 HIS 91 18.715 -5.012 14.607 721 HD2 HIS 91 HD2 HIS 91 17.375 -8.722 13.294 722 HE1 HIS 91 HE1 HIS 91 17.068 -5.789 16.340 723 HE2 HIS 91 HE2 HIS 91 16.425 -8.114 15.618 724 H HIS 92 H HIS 92 18.695 -3.640 10.213 725 HA HIS 92 HA HIS 92 21.032 -3.886 8.571 726 HB2 HIS 92 1HB HIS 92 19.268 -2.178 8.154 727 HB3 HIS 92 2HB HIS 92 19.710 -1.381 9.660 728 HD1 HIS 92 HD1 HIS 92 21.628 -2.494 6.551 729 HD2 HIS 92 HD2 HIS 92 21.297 0.741 9.149 730 HE1 HIS 92 HE1 HIS 92 23.216 -0.751 5.677 731 HE2 HIS 92 HE2 HIS 92 23.111 1.136 7.344 732 H HIS 93 H HIS 93 20.281 -3.067 11.831 733 HA HIS 93 HA HIS 93 23.065 -3.638 12.509 734 HB2 HIS 93 1HB HIS 93 21.419 -1.331 13.524 735 HB3 HIS 93 2HB HIS 93 22.634 -2.068 14.559 736 HD1 HIS 93 HD1 HIS 93 22.578 0.885 13.191 737 HD2 HIS 93 HD2 HIS 93 24.957 -2.374 12.179 738 HE1 HIS 93 HE1 HIS 93 24.605 1.847 12.053 739 HE2 HIS 93 HE2 HIS 93 25.937 -0.151 11.291 740 H HIS 94 H HIS 94 23.114 -5.358 13.843 741 HA HIS 94 HA HIS 94 20.688 -6.561 14.737 742 HB2 HIS 94 1HB HIS 94 23.587 -7.157 15.331 743 HB3 HIS 94 2HB HIS 94 22.276 -8.073 16.062 744 HD1 HIS 94 HD1 HIS 94 21.570 -10.089 14.801 745 HD2 HIS 94 HD2 HIS 94 23.468 -7.300 12.366 746 HE1 HIS 94 HE1 HIS 94 21.776 -11.181 12.542 747 HE2 HIS 94 HE2 HIS 94 23.009 -9.511 11.111 748 H HIS 95 H HIS 95 23.420 -5.821 16.830 749 HA HIS 95 HA HIS 95 22.248 -3.820 18.369 750 HB2 HIS 95 1HB HIS 95 20.728 -5.713 19.096 751 HB3 HIS 95 2HB HIS 95 22.148 -6.501 19.781 752 HD1 HIS 95 HD1 HIS 95 22.489 -6.025 22.200 753 HD2 HIS 95 HD2 HIS 95 20.442 -2.954 20.274 754 HE1 HIS 95 HE1 HIS 95 21.947 -4.340 23.986 755 HE2 HIS 95 HE2 HIS 95 20.888 -2.408 22.764 756 H HIS 96 H HIS 96 24.342 -6.627 18.273 757 HA HIS 96 HA HIS 96 26.448 -5.001 19.530 758 HB2 HIS 96 1HB HIS 96 25.724 -7.064 20.815 759 HB3 HIS 96 2HB HIS 96 26.329 -8.026 19.472 760 HD1 HIS 96 HD1 HIS 96 27.414 -6.030 22.402 761 HD2 HIS 96 HD2 HIS 96 29.156 -8.114 19.255 762 HE1 HIS 96 HE1 HIS 96 29.846 -6.257 23.005 763 HE2 HIS 96 HE2 HIS 96 30.821 -7.713 21.198 Start of MODEL 4 1 H1 SER 1 1H SER 1 -15.908 -10.386 -20.489 2 H2 SER 1 2H SER 1 -16.100 -9.878 -22.094 3 H3 SER 1 3H SER 1 -17.423 -10.509 -21.241 4 HA SER 1 HA SER 1 -16.007 -7.972 -20.700 5 HB2 SER 1 1HB SER 1 -17.618 -8.084 -22.654 6 HB3 SER 1 2HB SER 1 -18.890 -8.446 -21.491 7 HG SER 1 HG SER 1 -18.680 -6.187 -22.067 8 H SER 2 H SER 2 -15.767 -7.800 -18.576 9 HA SER 2 HA SER 2 -17.706 -8.994 -16.763 10 HB2 SER 2 1HB SER 2 -15.210 -9.248 -16.449 11 HB3 SER 2 2HB SER 2 -15.148 -7.526 -16.081 12 HG SER 2 HG SER 2 -16.541 -9.561 -14.659 13 H GLN 3 H GLN 3 -18.093 -7.578 -14.707 14 HA GLN 3 HA GLN 3 -19.413 -5.177 -15.658 15 HB2 GLN 3 1HB GLN 3 -19.405 -6.393 -12.889 16 HB3 GLN 3 2HB GLN 3 -20.496 -5.146 -13.480 17 HG2 GLN 3 1HG GLN 3 -21.381 -6.740 -15.132 18 HG3 GLN 3 2HG GLN 3 -20.331 -7.985 -14.463 19 HE21 GLN 3 2HE2 GLN 3 -23.206 -7.929 -14.674 20 HE22 GLN 3 1HE2 GLN 3 -23.824 -8.099 -13.060 21 H THR 4 H THR 4 -16.404 -5.880 -14.619 22 HA THR 4 HA THR 4 -15.938 -3.572 -12.952 23 HB THR 4 HB THR 4 -13.495 -4.326 -13.283 24 HG1 THR 4 HG1 THR 4 -13.306 -6.491 -14.037 25 HG21 THR 4 3HG2 THR 4 -13.757 -6.165 -11.677 26 HG22 THR 4 1HG2 THR 4 -15.488 -6.211 -12.016 27 HG23 THR 4 2HG2 THR 4 -14.776 -4.788 -11.253 28 H LEU 5 H LEU 5 -16.819 -3.498 -15.898 29 HA LEU 5 HA LEU 5 -14.678 -1.750 -16.914 30 HB2 LEU 5 1HB LEU 5 -15.207 -3.786 -18.254 31 HB3 LEU 5 2HB LEU 5 -16.840 -3.190 -18.459 32 HG LEU 5 HG LEU 5 -15.963 -1.240 -19.695 33 HD11 LEU 5 1HD1 LEU 5 -13.625 -1.235 -20.428 34 HD12 LEU 5 2HD1 LEU 5 -13.305 -2.634 -19.402 35 HD13 LEU 5 3HD1 LEU 5 -13.761 -1.094 -18.674 36 HD21 LEU 5 3HD2 LEU 5 -15.317 -2.457 -21.718 37 HD22 LEU 5 1HD2 LEU 5 -16.686 -3.219 -20.909 38 HD23 LEU 5 2HD2 LEU 5 -15.074 -3.917 -20.760 39 H ASP 6 H ASP 6 -17.135 -1.273 -15.104 40 HA ASP 6 HA ASP 6 -18.379 0.814 -16.766 41 HB2 ASP 6 1HB ASP 6 -20.015 -0.853 -16.132 42 HB3 ASP 6 2HB ASP 6 -19.564 -0.703 -14.436 43 H ARG 7 H ARG 7 -17.098 2.514 -16.325 44 HA ARG 7 HA ARG 7 -16.569 4.455 -15.323 45 HB2 ARG 7 1HB ARG 7 -18.797 3.584 -13.512 46 HB3 ARG 7 2HB ARG 7 -17.948 5.107 -13.276 47 HG2 ARG 7 1HG ARG 7 -18.649 5.930 -15.383 48 HG3 ARG 7 2HG ARG 7 -19.250 4.346 -15.874 49 HD2 ARG 7 1HD ARG 7 -20.354 5.961 -13.583 50 HD3 ARG 7 2HD ARG 7 -21.038 5.933 -15.209 51 HE ARG 7 HE ARG 7 -20.784 3.298 -14.209 52 HH11 ARG 7 1HH1 ARG 7 -22.719 6.185 -13.856 53 HH12 ARG 7 2HH1 ARG 7 -24.135 5.331 -13.330 54 HH21 ARG 7 1HH2 ARG 7 -22.616 2.159 -13.545 55 HH22 ARG 7 2HH2 ARG 7 -24.082 3.020 -13.151 56 H ASP 8 H ASP 8 -17.198 2.598 -12.326 57 HA ASP 8 HA ASP 8 -15.058 3.901 -11.026 58 HB2 ASP 8 1HB ASP 8 -15.481 2.374 -9.143 59 HB3 ASP 8 2HB ASP 8 -16.956 3.111 -9.748 60 HA PRO 9 HA PRO 9 -11.938 1.130 -12.573 61 HB2 PRO 9 1HB PRO 9 -10.009 2.944 -12.697 62 HB3 PRO 9 2HB PRO 9 -11.409 3.040 -13.771 63 HG2 PRO 9 1HG PRO 9 -10.730 4.692 -11.407 64 HG3 PRO 9 2HG PRO 9 -11.681 5.114 -12.840 65 HD2 PRO 9 1HD PRO 9 -12.633 4.262 -10.267 66 HD3 PRO 9 2HD PRO 9 -13.584 4.674 -11.708 67 H THR 10 H THR 10 -9.667 0.624 -11.981 68 HA THR 10 HA THR 10 -9.329 0.591 -9.061 69 HB THR 10 HB THR 10 -7.889 -1.191 -11.016 70 HG1 THR 10 HG1 THR 10 -10.050 -1.598 -11.422 71 HG21 THR 10 3HG2 THR 10 -7.043 -1.120 -8.731 72 HG22 THR 10 1HG2 THR 10 -7.777 -2.686 -9.077 73 HG23 THR 10 2HG2 THR 10 -8.651 -1.495 -8.113 74 H LEU 11 H LEU 11 -7.586 1.571 -8.167 75 HA LEU 11 HA LEU 11 -5.670 2.833 -10.007 76 HB2 LEU 11 1HB LEU 11 -6.974 4.307 -8.488 77 HB3 LEU 11 2HB LEU 11 -6.268 3.479 -7.114 78 HG LEU 11 HG LEU 11 -4.023 4.263 -7.830 79 HD11 LEU 11 1HD1 LEU 11 -4.479 4.517 -10.212 80 HD12 LEU 11 2HD1 LEU 11 -3.853 6.013 -9.516 81 HD13 LEU 11 3HD1 LEU 11 -5.574 5.856 -9.864 82 HD21 LEU 11 3HD2 LEU 11 -6.079 6.433 -7.432 83 HD22 LEU 11 1HD2 LEU 11 -4.341 6.600 -7.180 84 HD23 LEU 11 2HD2 LEU 11 -5.280 5.510 -6.159 85 H THR 12 H THR 12 -3.536 2.365 -9.907 86 HA THR 12 HA THR 12 -2.753 0.247 -8.034 87 HB THR 12 HB THR 12 -1.239 1.204 -10.470 88 HG1 THR 12 HG1 THR 12 -3.537 0.124 -10.569 89 HG21 THR 12 3HG2 THR 12 -0.145 -0.986 -10.310 90 HG22 THR 12 1HG2 THR 12 -1.092 -1.359 -8.869 91 HG23 THR 12 2HG2 THR 12 0.092 -0.051 -8.832 92 H LEU 13 H LEU 13 -1.971 1.061 -6.205 93 HA LEU 13 HA LEU 13 -0.214 3.415 -6.315 94 HB2 LEU 13 1HB LEU 13 -1.588 2.118 -3.956 95 HB3 LEU 13 2HB LEU 13 -0.568 3.541 -3.873 96 HG LEU 13 HG LEU 13 -3.188 3.380 -5.364 97 HD11 LEU 13 1HD1 LEU 13 -4.046 4.803 -3.570 98 HD12 LEU 13 2HD1 LEU 13 -2.503 4.674 -2.727 99 HD13 LEU 13 3HD1 LEU 13 -3.506 3.241 -2.952 100 HD21 LEU 13 3HD2 LEU 13 -2.957 5.803 -5.543 101 HD22 LEU 13 1HD2 LEU 13 -1.618 4.974 -6.338 102 HD23 LEU 13 2HD2 LEU 13 -1.381 5.716 -4.755 103 H SER 14 H SER 14 1.735 3.382 -5.017 104 HA SER 14 HA SER 14 2.933 0.716 -4.902 105 HB2 SER 14 1HB SER 14 4.172 2.471 -6.134 106 HB3 SER 14 2HB SER 14 4.229 3.450 -4.669 107 HG SER 14 HG SER 14 5.451 1.766 -3.693 108 H LEU 15 H LEU 15 3.547 -0.216 -3.005 109 HA LEU 15 HA LEU 15 2.753 1.027 -0.526 110 HB2 LEU 15 1HB LEU 15 2.560 -1.421 -0.928 111 HB3 LEU 15 2HB LEU 15 4.307 -1.523 -1.011 112 HG LEU 15 HG LEU 15 4.429 -0.752 1.350 113 HD11 LEU 15 1HD1 LEU 15 2.387 -0.803 2.704 114 HD12 LEU 15 2HD1 LEU 15 1.430 -1.053 1.244 115 HD13 LEU 15 3HD1 LEU 15 2.320 0.452 1.467 116 HD21 LEU 15 3HD2 LEU 15 4.512 -3.127 0.800 117 HD22 LEU 15 1HD2 LEU 15 2.751 -3.213 0.873 118 HD23 LEU 15 2HD2 LEU 15 3.677 -2.858 2.331 119 H ILE 16 H ILE 16 4.009 2.313 0.676 120 HA ILE 16 HA ILE 16 6.899 2.311 0.101 121 HB ILE 16 HB ILE 16 6.941 4.684 0.788 122 HG12 ILE 16 1HG1 ILE 16 3.921 4.495 0.729 123 HG13 ILE 16 2HG1 ILE 16 4.883 4.601 2.199 124 HG21 ILE 16 1HG2 ILE 16 5.064 4.037 -1.481 125 HG22 ILE 16 2HG2 ILE 16 6.823 4.128 -1.565 126 HG23 ILE 16 3HG2 ILE 16 5.879 5.583 -1.244 127 HD11 ILE 16 3HD1 ILE 16 4.741 6.685 0.031 128 HD12 ILE 16 1HD1 ILE 16 5.694 6.794 1.512 129 HD13 ILE 16 2HD1 ILE 16 3.933 6.754 1.598 130 H ALA 17 H ALA 17 8.315 2.840 1.828 131 HA ALA 17 HA ALA 17 7.437 1.753 4.382 132 HB1 ALA 17 3HB ALA 17 10.163 2.661 3.447 133 HB2 ALA 17 1HB ALA 17 9.562 1.003 3.441 134 HB3 ALA 17 2HB ALA 17 9.818 1.843 4.971 135 H LYS 18 H LYS 18 6.690 3.037 5.942 136 HA LYS 18 HA LYS 18 7.447 5.883 5.866 137 HB2 LYS 18 1HB LYS 18 5.079 5.465 5.315 138 HB3 LYS 18 2HB LYS 18 4.870 4.648 6.857 139 HG2 LYS 18 1HG LYS 18 5.314 6.710 8.044 140 HG3 LYS 18 2HG LYS 18 5.624 7.544 6.518 141 HD2 LYS 18 1HD LYS 18 3.343 7.197 5.816 142 HD3 LYS 18 2HD LYS 18 3.014 6.223 7.249 143 HE2 LYS 18 1HE LYS 18 3.737 9.150 7.211 144 HE3 LYS 18 2HE LYS 18 2.129 8.480 7.494 145 HZ1 LYS 18 3HZ LYS 18 4.521 8.196 9.219 146 HZ2 LYS 18 1HZ LYS 18 3.103 7.300 9.448 147 HZ3 LYS 18 2HZ LYS 18 3.078 8.989 9.591 148 H ASN 19 H ASN 19 8.335 6.751 7.624 149 HA ASN 19 HA ASN 19 9.287 6.967 9.671 150 HB2 ASN 19 1HB ASN 19 6.898 5.285 10.421 151 HB3 ASN 19 2HB ASN 19 8.046 5.877 11.616 152 HD21 ASN 19 2HD2 ASN 19 5.231 6.439 11.379 153 HD22 ASN 19 1HD2 ASN 19 5.099 8.167 11.227 154 H THR 20 H THR 20 10.066 4.773 7.886 155 HA THR 20 HA THR 20 10.657 2.504 9.550 156 HB THR 20 HB THR 20 11.617 3.169 6.759 157 HG1 THR 20 HG1 THR 20 9.200 2.542 7.663 158 HG21 THR 20 3HG2 THR 20 11.536 0.533 8.240 159 HG22 THR 20 1HG2 THR 20 12.993 1.459 7.875 160 HG23 THR 20 2HG2 THR 20 12.038 0.763 6.566 161 HA PRO 21 HA PRO 21 14.372 4.343 11.251 162 HB2 PRO 21 1HB PRO 21 14.825 1.565 12.158 163 HB3 PRO 21 2HB PRO 21 14.717 3.053 13.103 164 HG2 PRO 21 1HG PRO 21 12.750 1.245 13.142 165 HG3 PRO 21 2HG PRO 21 12.406 2.984 13.196 166 HD2 PRO 21 1HD PRO 21 12.212 1.084 10.890 167 HD3 PRO 21 2HD PRO 21 11.119 2.404 11.359 168 H ALA 22 H ALA 22 16.657 4.070 11.020 169 HA ALA 22 HA ALA 22 17.371 2.959 8.455 170 HB1 ALA 22 3HB ALA 22 19.555 3.956 8.852 171 HB2 ALA 22 1HB ALA 22 19.108 4.306 10.521 172 HB3 ALA 22 2HB ALA 22 18.273 5.118 9.196 173 H ASN 23 H ASN 23 17.144 1.747 11.539 174 HA ASN 23 HA ASN 23 19.390 -0.085 11.358 175 HB2 ASN 23 1HB ASN 23 17.183 0.140 13.418 176 HB3 ASN 23 2HB ASN 23 18.576 -0.929 13.539 177 HD21 ASN 23 2HD2 ASN 23 17.690 1.234 15.284 178 HD22 ASN 23 1HD2 ASN 23 19.023 2.341 15.388 179 H SER 24 H SER 24 16.347 0.052 10.085 180 HA SER 24 HA SER 24 16.073 -2.872 10.074 181 HB2 SER 24 1HB SER 24 13.631 -2.330 9.478 182 HB3 SER 24 2HB SER 24 14.145 -2.034 11.139 183 HG SER 24 HG SER 24 14.327 0.030 9.234 184 H MET 25 H MET 25 16.158 -3.903 8.203 185 HA MET 25 HA MET 25 16.029 -2.334 5.709 186 HB2 MET 25 1HB MET 25 18.344 -2.908 6.131 187 HB3 MET 25 2HB MET 25 17.915 -4.584 6.442 188 HG2 MET 25 1HG MET 25 17.210 -4.818 4.097 189 HG3 MET 25 2HG MET 25 17.709 -3.153 3.802 190 HE1 MET 25 3HE MET 25 18.915 -6.751 4.832 191 HE2 MET 25 1HE MET 25 19.515 -5.739 6.145 192 HE3 MET 25 2HE MET 25 20.650 -6.495 5.027 193 H ILE 26 H ILE 26 14.416 -3.007 4.436 194 HA ILE 26 HA ILE 26 13.056 -5.490 5.038 195 HB ILE 26 HB ILE 26 12.420 -3.715 2.688 196 HG12 ILE 26 1HG1 ILE 26 11.500 -3.305 5.546 197 HG13 ILE 26 2HG1 ILE 26 12.645 -2.275 4.694 198 HG21 ILE 26 1HG2 ILE 26 10.723 -5.446 4.488 199 HG22 ILE 26 2HG2 ILE 26 11.259 -5.857 2.859 200 HG23 ILE 26 3HG2 ILE 26 10.143 -4.513 3.108 201 HD11 ILE 26 3HD1 ILE 26 10.412 -1.301 4.765 202 HD12 ILE 26 1HD1 ILE 26 9.769 -2.710 3.921 203 HD13 ILE 26 2HD1 ILE 26 10.916 -1.643 3.110 204 H MET 27 H MET 27 13.517 -7.392 4.097 205 HA MET 27 HA MET 27 15.461 -7.547 1.989 206 HB2 MET 27 1HB MET 27 15.195 -9.289 3.789 207 HB3 MET 27 2HB MET 27 13.695 -9.782 3.010 208 HG2 MET 27 1HG MET 27 15.043 -10.163 0.917 209 HG3 MET 27 2HG MET 27 16.484 -9.937 1.905 210 HE1 MET 27 3HE MET 27 13.049 -11.736 2.733 211 HE2 MET 27 1HE MET 27 13.470 -13.402 2.340 212 HE3 MET 27 2HE MET 27 13.421 -12.182 1.068 213 H THR 28 H THR 28 12.070 -8.581 2.211 214 HA THR 28 HA THR 28 11.766 -8.910 -0.597 215 HB THR 28 HB THR 28 10.362 -10.099 1.085 216 HG1 THR 28 HG1 THR 28 8.544 -10.032 -0.167 217 HG21 THR 28 3HG2 THR 28 8.483 -8.934 2.132 218 HG22 THR 28 1HG2 THR 28 9.051 -7.404 1.459 219 HG23 THR 28 2HG2 THR 28 10.024 -8.256 2.658 220 H LYS 29 H LYS 29 10.424 -7.582 -1.995 221 HA LYS 29 HA LYS 29 10.801 -4.761 -1.360 222 HB2 LYS 29 1HB LYS 29 10.110 -6.130 -3.963 223 HB3 LYS 29 2HB LYS 29 10.337 -4.395 -3.769 224 HG2 LYS 29 1HG LYS 29 12.639 -4.762 -3.071 225 HG3 LYS 29 2HG LYS 29 12.416 -6.503 -3.240 226 HD2 LYS 29 1HD LYS 29 11.989 -6.221 -5.625 227 HD3 LYS 29 2HD LYS 29 12.190 -4.474 -5.459 228 HE2 LYS 29 1HE LYS 29 14.291 -6.569 -4.908 229 HE3 LYS 29 2HE LYS 29 14.221 -5.518 -6.323 230 HZ1 LYS 29 3HZ LYS 29 15.778 -4.682 -4.681 231 HZ2 LYS 29 1HZ LYS 29 14.552 -4.612 -3.512 232 HZ3 LYS 29 2HZ LYS 29 14.482 -3.602 -4.872 233 H LEU 30 H LEU 30 9.192 -3.290 -1.299 234 HA LEU 30 HA LEU 30 6.642 -4.179 -0.462 235 HB2 LEU 30 1HB LEU 30 7.515 -1.412 -1.293 236 HB3 LEU 30 2HB LEU 30 6.096 -1.807 -0.338 237 HG LEU 30 HG LEU 30 8.946 -2.300 0.535 238 HD11 LEU 30 1HD1 LEU 30 8.466 0.081 0.386 239 HD12 LEU 30 2HD1 LEU 30 8.599 -0.433 2.067 240 HD13 LEU 30 3HD1 LEU 30 7.011 -0.141 1.358 241 HD21 LEU 30 3HD2 LEU 30 7.952 -2.726 2.724 242 HD22 LEU 30 1HD2 LEU 30 7.346 -3.858 1.517 243 HD23 LEU 30 2HD2 LEU 30 6.341 -2.507 2.044 244 HA PRO 31 HA PRO 31 5.196 -4.725 -4.648 245 HB2 PRO 31 1HB PRO 31 2.676 -5.622 -3.540 246 HB3 PRO 31 2HB PRO 31 3.927 -6.567 -4.346 247 HG2 PRO 31 1HG PRO 31 3.334 -6.778 -1.685 248 HG3 PRO 31 2HG PRO 31 4.916 -7.167 -2.381 249 HD2 PRO 31 1HD PRO 31 4.039 -4.725 -0.903 250 HD3 PRO 31 2HD PRO 31 5.595 -5.581 -0.858 251 H SER 32 H SER 32 3.222 -4.179 -5.915 252 HA SER 32 HA SER 32 2.271 -1.534 -5.265 253 HB2 SER 32 1HB SER 32 1.430 -3.315 -7.565 254 HB3 SER 32 2HB SER 32 1.279 -1.562 -7.459 255 HG SER 32 HG SER 32 3.323 -3.002 -8.389 256 H VAL 33 H VAL 33 0.281 -1.035 -4.464 257 HA VAL 33 HA VAL 33 -1.403 -3.300 -3.701 258 HB VAL 33 HB VAL 33 -2.578 -1.760 -2.209 259 HG11 VAL 33 1HG1 VAL 33 0.421 -1.647 -1.930 260 HG12 VAL 33 2HG1 VAL 33 -0.645 -2.922 -1.338 261 HG13 VAL 33 3HG1 VAL 33 -0.735 -1.303 -0.642 262 HG21 VAL 33 3HG2 VAL 33 -1.777 0.528 -1.868 263 HG22 VAL 33 1HG2 VAL 33 -2.384 0.289 -3.507 264 HG23 VAL 33 2HG2 VAL 33 -0.646 0.329 -3.208 265 H ARG 34 H ARG 34 -3.452 -3.552 -4.375 266 HA ARG 34 HA ARG 34 -4.269 -1.858 -6.626 267 HB2 ARG 34 1HB ARG 34 -3.964 -4.121 -7.323 268 HB3 ARG 34 2HB ARG 34 -4.850 -4.739 -5.937 269 HG2 ARG 34 1HG ARG 34 -6.905 -4.142 -6.827 270 HG3 ARG 34 2HG ARG 34 -6.190 -2.984 -7.947 271 HD2 ARG 34 1HD ARG 34 -7.010 -5.061 -9.033 272 HD3 ARG 34 2HD ARG 34 -5.299 -4.742 -9.300 273 HE ARG 34 HE ARG 34 -4.819 -6.464 -7.632 274 HH11 ARG 34 1HH1 ARG 34 -8.098 -6.355 -8.866 275 HH12 ARG 34 2HH1 ARG 34 -8.363 -8.064 -8.685 276 HH21 ARG 34 1HH2 ARG 34 -5.149 -8.715 -7.420 277 HH22 ARG 34 2HH2 ARG 34 -6.673 -9.416 -7.881 278 H VAL 35 H VAL 35 -5.548 -0.310 -5.884 279 HA VAL 35 HA VAL 35 -7.716 -1.079 -4.050 280 HB VAL 35 HB VAL 35 -7.736 1.284 -3.263 281 HG11 VAL 35 1HG1 VAL 35 -5.137 -0.201 -2.890 282 HG12 VAL 35 2HG1 VAL 35 -6.612 -0.409 -1.947 283 HG13 VAL 35 3HG1 VAL 35 -5.718 1.108 -1.861 284 HG21 VAL 35 3HG2 VAL 35 -5.160 1.508 -4.823 285 HG22 VAL 35 1HG2 VAL 35 -5.786 2.709 -3.694 286 HG23 VAL 35 2HG2 VAL 35 -6.669 2.350 -5.178 287 H LYS 36 H LYS 36 -9.721 -0.823 -4.811 288 HA LYS 36 HA LYS 36 -10.001 0.487 -7.403 289 HB2 LYS 36 1HB LYS 36 -10.978 -1.863 -6.745 290 HB3 LYS 36 2HB LYS 36 -12.269 -0.905 -6.025 291 HG2 LYS 36 1HG LYS 36 -12.525 0.236 -8.243 292 HG3 LYS 36 2HG LYS 36 -11.411 -0.958 -8.905 293 HD2 LYS 36 1HD LYS 36 -12.980 -2.735 -8.071 294 HD3 LYS 36 2HD LYS 36 -14.123 -1.441 -7.691 295 HE2 LYS 36 1HE LYS 36 -13.780 -0.718 -10.140 296 HE3 LYS 36 2HE LYS 36 -13.100 -2.329 -10.367 297 HZ1 LYS 36 3HZ LYS 36 -15.211 -3.231 -9.465 298 HZ2 LYS 36 1HZ LYS 36 -15.403 -2.378 -10.921 299 HZ3 LYS 36 2HZ LYS 36 -15.839 -1.650 -9.459 300 H THR 37 H THR 37 -11.366 2.211 -7.762 301 HA THR 37 HA THR 37 -12.304 3.568 -5.320 302 HB THR 37 HB THR 37 -11.910 5.706 -6.589 303 HG1 THR 37 HG1 THR 37 -11.496 4.073 -8.592 304 HG21 THR 37 3HG2 THR 37 -9.485 5.731 -6.193 305 HG22 THR 37 1HG2 THR 37 -9.494 3.972 -6.061 306 HG23 THR 37 2HG2 THR 37 -10.351 4.951 -4.870 307 H GLU 38 H GLU 38 -14.257 4.644 -5.398 308 HA GLU 38 HA GLU 38 -16.054 3.749 -7.528 309 HB2 GLU 38 1HB GLU 38 -16.592 3.332 -5.099 310 HB3 GLU 38 2HB GLU 38 -16.757 5.070 -4.901 311 HG2 GLU 38 1HG GLU 38 -18.557 5.058 -6.584 312 HG3 GLU 38 2HG GLU 38 -18.419 3.302 -6.679 313 H GLY 39 H GLY 39 -16.121 5.124 -9.171 314 HA2 GLY 39 1HA GLY 39 -17.323 7.440 -9.456 315 HA3 GLY 39 2HA GLY 39 -15.832 7.992 -8.700 316 H TYR 40 H TYR 40 -14.883 9.053 -10.384 317 HA TYR 40 HA TYR 40 -13.821 7.329 -12.474 318 HB2 TYR 40 1HB TYR 40 -15.969 8.326 -13.349 319 HB3 TYR 40 2HB TYR 40 -15.219 9.911 -13.199 320 HD1 TYR 40 HD1 TYR 40 -14.460 6.568 -14.693 321 HD2 TYR 40 HD2 TYR 40 -14.261 10.797 -15.100 322 HE1 TYR 40 HE1 TYR 40 -13.495 6.299 -16.938 323 HE2 TYR 40 HE2 TYR 40 -13.293 10.540 -17.344 324 HH TYR 40 HH TYR 40 -13.214 7.500 -18.978 325 H ASN 41 H ASN 41 -11.729 7.780 -12.790 326 HA ASN 41 HA ASN 41 -10.714 10.253 -11.589 327 HB2 ASN 41 1HB ASN 41 -8.476 8.997 -11.629 328 HB3 ASN 41 2HB ASN 41 -9.684 8.489 -10.459 329 HD21 ASN 41 2HD2 ASN 41 -8.602 6.500 -10.304 330 HD22 ASN 41 1HD2 ASN 41 -8.768 5.277 -11.519 331 HA PRO 42 HA PRO 42 -9.836 11.435 -15.836 332 HB2 PRO 42 1HB PRO 42 -9.167 14.007 -14.615 333 HB3 PRO 42 2HB PRO 42 -10.429 13.626 -15.789 334 HG2 PRO 42 1HG PRO 42 -10.982 14.287 -13.225 335 HG3 PRO 42 2HG PRO 42 -11.987 13.165 -14.161 336 HD2 PRO 42 1HD PRO 42 -9.906 12.569 -12.090 337 HD3 PRO 42 2HD PRO 42 -11.493 11.810 -12.345 338 H SER 43 H SER 43 -7.901 12.549 -13.055 339 HA SER 43 HA SER 43 -5.484 11.776 -14.533 340 HB2 SER 43 1HB SER 43 -5.761 14.272 -12.838 341 HB3 SER 43 2HB SER 43 -4.331 13.768 -13.742 342 HG SER 43 HG SER 43 -5.395 14.149 -15.647 343 H ILE 44 H ILE 44 -6.318 13.065 -11.319 344 HA ILE 44 HA ILE 44 -5.799 12.440 -9.213 345 HB ILE 44 HB ILE 44 -5.579 9.714 -10.474 346 HG12 ILE 44 1HG1 ILE 44 -7.810 10.676 -10.548 347 HG13 ILE 44 2HG1 ILE 44 -7.767 9.360 -9.380 348 HG21 ILE 44 1HG2 ILE 44 -5.685 8.797 -8.203 349 HG22 ILE 44 2HG2 ILE 44 -5.585 10.431 -7.545 350 HG23 ILE 44 3HG2 ILE 44 -4.227 9.758 -8.449 351 HD11 ILE 44 3HD1 ILE 44 -7.610 10.982 -7.563 352 HD12 ILE 44 1HD1 ILE 44 -9.054 11.237 -8.543 353 HD13 ILE 44 2HD1 ILE 44 -7.658 12.298 -8.736 354 H ASN 45 H ASN 45 -4.018 13.090 -8.243 355 HA ASN 45 HA ASN 45 -1.478 12.697 -9.588 356 HB2 ASN 45 1HB ASN 45 -2.090 14.918 -8.642 357 HB3 ASN 45 2HB ASN 45 -2.027 14.213 -7.030 358 HD21 ASN 45 2HD2 ASN 45 -0.388 15.761 -6.533 359 HD22 ASN 45 1HD2 ASN 45 1.249 15.486 -7.045 360 H VAL 46 H VAL 46 -1.024 10.570 -9.351 361 HA VAL 46 HA VAL 46 -1.067 9.254 -6.796 362 HB VAL 46 HB VAL 46 0.257 8.247 -9.318 363 HG11 VAL 46 1HG1 VAL 46 -0.993 6.808 -6.984 364 HG12 VAL 46 2HG1 VAL 46 0.733 6.955 -7.313 365 HG13 VAL 46 3HG1 VAL 46 -0.299 6.041 -8.413 366 HG21 VAL 46 3HG2 VAL 46 -1.999 8.946 -9.889 367 HG22 VAL 46 1HG2 VAL 46 -2.645 8.021 -8.533 368 HG23 VAL 46 2HG2 VAL 46 -1.880 7.188 -9.886 369 H ASN 47 H ASN 47 0.881 11.565 -7.864 370 HA ASN 47 HA ASN 47 3.419 10.490 -7.000 371 HB2 ASN 47 1HB ASN 47 2.553 13.309 -7.681 372 HB3 ASN 47 2HB ASN 47 4.201 12.854 -7.260 373 HD21 ASN 47 2HD2 ASN 47 2.986 13.962 -9.731 374 HD22 ASN 47 1HD2 ASN 47 3.465 12.880 -10.998 375 H GLU 48 H GLU 48 0.678 12.002 -5.607 376 HA GLU 48 HA GLU 48 2.120 12.442 -3.081 377 HB2 GLU 48 1HB GLU 48 -0.625 13.401 -3.918 378 HB3 GLU 48 2HB GLU 48 0.155 13.752 -2.383 379 HG2 GLU 48 1HG GLU 48 1.128 14.621 -5.094 380 HG3 GLU 48 2HG GLU 48 0.281 15.630 -3.925 381 H LEU 49 H LEU 49 -0.540 10.736 -4.598 382 HA LEU 49 HA LEU 49 -1.485 9.630 -2.106 383 HB2 LEU 49 1HB LEU 49 -2.259 8.957 -4.941 384 HB3 LEU 49 2HB LEU 49 -3.104 8.436 -3.495 385 HG LEU 49 HG LEU 49 -2.841 11.279 -4.470 386 HD11 LEU 49 1HD1 LEU 49 -5.205 9.423 -4.342 387 HD12 LEU 49 2HD1 LEU 49 -4.367 9.944 -5.804 388 HD13 LEU 49 3HD1 LEU 49 -5.249 11.119 -4.826 389 HD21 LEU 49 3HD2 LEU 49 -4.312 10.174 -2.078 390 HD22 LEU 49 1HD2 LEU 49 -4.364 11.843 -2.646 391 HD23 LEU 49 2HD2 LEU 49 -2.857 11.169 -2.029 392 H PHE 50 H PHE 50 -0.819 7.839 -1.188 393 HA PHE 50 HA PHE 50 0.359 5.678 -2.743 394 HB2 PHE 50 1HB PHE 50 1.833 7.133 -0.539 395 HB3 PHE 50 2HB PHE 50 2.280 5.528 -1.098 396 HD1 PHE 50 HD2 PHE 50 2.869 5.279 -3.578 397 HD2 PHE 50 HD1 PHE 50 2.702 9.020 -1.558 398 HE1 PHE 50 HE2 PHE 50 4.296 6.277 -5.316 399 HE2 PHE 50 HE1 PHE 50 4.132 10.022 -3.289 400 HZ PHE 50 HZ PHE 50 4.931 8.651 -5.170 401 H ALA 51 H ALA 51 0.951 3.836 -1.213 402 HA ALA 51 HA ALA 51 -0.783 3.777 1.170 403 HB1 ALA 51 3HB ALA 51 -1.680 2.272 -0.538 404 HB2 ALA 51 1HB ALA 51 -1.040 1.358 0.828 405 HB3 ALA 51 2HB ALA 51 -0.113 1.473 -0.668 406 H TYR 52 H TYR 52 0.236 3.019 3.053 407 HA TYR 52 HA TYR 52 3.067 2.317 2.729 408 HB2 TYR 52 1HB TYR 52 3.592 3.895 4.632 409 HB3 TYR 52 2HB TYR 52 3.194 4.652 3.094 410 HD1 TYR 52 HD1 TYR 52 1.820 3.794 6.433 411 HD2 TYR 52 HD2 TYR 52 1.416 6.180 2.936 412 HE1 TYR 52 HE1 TYR 52 0.102 5.141 7.560 413 HE2 TYR 52 HE2 TYR 52 -0.307 7.529 4.052 414 HH TYR 52 HH TYR 52 -1.820 7.467 5.844 415 H VAL 53 H VAL 53 4.076 1.398 4.527 416 HA VAL 53 HA VAL 53 2.284 0.460 6.661 417 HB VAL 53 HB VAL 53 4.074 -1.254 7.134 418 HG11 VAL 53 1HG1 VAL 53 3.426 -2.742 5.284 419 HG12 VAL 53 2HG1 VAL 53 2.761 -1.356 4.419 420 HG13 VAL 53 3HG1 VAL 53 2.047 -1.865 5.950 421 HG21 VAL 53 3HG2 VAL 53 5.125 -0.395 4.437 422 HG22 VAL 53 1HG2 VAL 53 5.688 -1.774 5.381 423 HG23 VAL 53 2HG2 VAL 53 5.930 -0.133 5.983 424 H ASP 54 H ASP 54 2.648 1.270 8.650 425 HA ASP 54 HA ASP 54 4.815 3.221 8.855 426 HB2 ASP 54 1HB ASP 54 2.298 3.600 9.504 427 HB3 ASP 54 2HB ASP 54 2.768 2.802 11.002 428 H LEU 55 H LEU 55 6.673 2.328 9.460 429 HA LEU 55 HA LEU 55 6.630 0.007 11.226 430 HB2 LEU 55 1HB LEU 55 8.907 1.230 9.666 431 HB3 LEU 55 2HB LEU 55 8.989 -0.263 10.582 432 HG LEU 55 HG LEU 55 7.337 0.237 8.104 433 HD11 LEU 55 1HD1 LEU 55 9.710 -0.092 7.676 434 HD12 LEU 55 2HD1 LEU 55 8.769 -1.476 7.118 435 HD13 LEU 55 3HD1 LEU 55 9.684 -1.580 8.622 436 HD21 LEU 55 3HD2 LEU 55 6.112 -1.191 9.647 437 HD22 LEU 55 1HD2 LEU 55 7.522 -2.236 9.820 438 HD23 LEU 55 2HD2 LEU 55 6.695 -2.120 8.265 439 H SER 56 H SER 56 6.411 3.031 11.947 440 HA SER 56 HA SER 56 8.622 3.442 13.718 441 HB2 SER 56 1HB SER 56 7.104 5.252 12.728 442 HB3 SER 56 2HB SER 56 5.910 4.760 13.928 443 HG SER 56 HG SER 56 8.160 6.280 14.216 444 H GLY 57 H GLY 57 8.928 2.046 15.342 445 HA2 GLY 57 1HA GLY 57 8.408 1.136 17.450 446 HA3 GLY 57 2HA GLY 57 6.707 1.478 17.153 447 H SER 58 H SER 58 8.868 -0.136 14.918 448 HA SER 58 HA SER 58 7.355 -2.627 15.327 449 HB2 SER 58 1HB SER 58 8.497 -1.554 12.736 450 HB3 SER 58 2HB SER 58 7.641 -3.085 12.928 451 HG SER 58 HG SER 58 6.135 -1.165 13.972 452 H GLU 59 H GLU 59 8.479 -4.555 15.257 453 HA GLU 59 HA GLU 59 11.359 -4.309 15.711 454 HB2 GLU 59 1HB GLU 59 9.450 -6.594 16.245 455 HB3 GLU 59 2HB GLU 59 11.165 -6.602 16.632 456 HG2 GLU 59 1HG GLU 59 10.835 -4.749 18.174 457 HG3 GLU 59 2HG GLU 59 9.116 -4.725 17.779 458 HA PRO 60 HA PRO 60 12.496 -6.350 11.920 459 HB2 PRO 60 1HB PRO 60 14.514 -7.829 13.493 460 HB3 PRO 60 2HB PRO 60 14.738 -6.724 12.132 461 HG2 PRO 60 1HG PRO 60 15.396 -5.993 14.614 462 HG3 PRO 60 2HG PRO 60 14.667 -4.839 13.480 463 HD2 PRO 60 1HD PRO 60 13.384 -6.351 15.731 464 HD3 PRO 60 2HD PRO 60 13.184 -4.649 15.262 465 H GLY 61 H GLY 61 12.931 -8.597 11.054 466 HA2 GLY 61 1HA GLY 61 12.504 -10.943 11.180 467 HA3 GLY 61 2HA GLY 61 11.466 -10.648 12.570 468 H GLU 62 H GLU 62 10.220 -12.180 10.945 469 HA GLU 62 HA GLU 62 8.834 -10.671 8.884 470 HB2 GLU 62 1HB GLU 62 8.473 -13.526 9.812 471 HB3 GLU 62 2HB GLU 62 7.633 -12.794 8.452 472 HG2 GLU 62 1HG GLU 62 9.878 -12.363 7.425 473 HG3 GLU 62 2HG GLU 62 10.571 -13.351 8.711 474 H HIS 63 H HIS 63 7.288 -9.339 9.489 475 HA HIS 63 HA HIS 63 5.301 -10.327 11.422 476 HB2 HIS 63 1HB HIS 63 6.426 -7.525 11.249 477 HB3 HIS 63 2HB HIS 63 4.994 -7.952 12.177 478 HD1 HIS 63 HD1 HIS 63 8.252 -7.117 12.854 479 HD2 HIS 63 HD2 HIS 63 5.948 -10.413 13.928 480 HE1 HIS 63 HE1 HIS 63 9.349 -8.077 14.906 481 HE2 HIS 63 HE2 HIS 63 7.943 -10.069 15.545 482 H ASP 64 H ASP 64 3.175 -9.613 11.076 483 HA ASP 64 HA ASP 64 2.619 -8.965 8.295 484 HB2 ASP 64 1HB ASP 64 0.850 -9.837 10.584 485 HB3 ASP 64 2HB ASP 64 0.221 -9.377 9.005 486 H TYR 65 H TYR 65 2.765 -6.873 7.857 487 HA TYR 65 HA TYR 65 1.898 -4.941 9.876 488 HB2 TYR 65 1HB TYR 65 3.579 -4.596 7.388 489 HB3 TYR 65 2HB TYR 65 3.098 -3.274 8.450 490 HD1 TYR 65 HD1 TYR 65 3.689 -3.636 10.994 491 HD2 TYR 65 HD2 TYR 65 5.625 -5.628 7.772 492 HE1 TYR 65 HE1 TYR 65 5.618 -4.092 12.446 493 HE2 TYR 65 HE2 TYR 65 7.563 -6.089 9.216 494 HH TYR 65 HH TYR 65 8.594 -5.096 11.298 495 H GLU 66 H GLU 66 0.537 -3.221 9.359 496 HA GLU 66 HA GLU 66 -1.604 -4.116 7.610 497 HB2 GLU 66 1HB GLU 66 -1.490 -1.817 9.571 498 HB3 GLU 66 2HB GLU 66 -2.937 -2.439 8.788 499 HG2 GLU 66 1HG GLU 66 -3.039 -4.282 10.115 500 HG3 GLU 66 2HG GLU 66 -1.293 -4.349 10.342 501 H VAL 67 H VAL 67 -1.972 -3.302 5.660 502 HA VAL 67 HA VAL 67 -0.348 -1.182 4.619 503 HB VAL 67 HB VAL 67 -2.739 -2.554 3.369 504 HG11 VAL 67 1HG1 VAL 67 -2.293 -0.392 2.344 505 HG12 VAL 67 2HG1 VAL 67 -1.860 -1.703 1.246 506 HG13 VAL 67 3HG1 VAL 67 -0.599 -0.833 2.120 507 HG21 VAL 67 3HG2 VAL 67 -0.947 -4.126 3.863 508 HG22 VAL 67 1HG2 VAL 67 0.214 -3.081 3.045 509 HG23 VAL 67 2HG2 VAL 67 -1.074 -3.858 2.125 510 H LYS 68 H LYS 68 -0.707 0.840 5.143 511 HA LYS 68 HA LYS 68 -3.455 1.731 5.646 512 HB2 LYS 68 1HB LYS 68 -0.820 3.047 6.345 513 HB3 LYS 68 2HB LYS 68 -2.414 3.640 6.797 514 HG2 LYS 68 1HG LYS 68 -2.805 1.722 8.177 515 HG3 LYS 68 2HG LYS 68 -1.311 0.968 7.622 516 HD2 LYS 68 1HD LYS 68 -0.009 2.741 8.664 517 HD3 LYS 68 2HD LYS 68 -1.497 3.537 9.192 518 HE2 LYS 68 1HE LYS 68 -2.073 1.520 10.499 519 HE3 LYS 68 2HE LYS 68 -0.540 0.796 10.019 520 HZ1 LYS 68 3HZ LYS 68 0.617 2.580 11.157 521 HZ2 LYS 68 1HZ LYS 68 -0.417 1.773 12.221 522 HZ3 LYS 68 2HZ LYS 68 -0.852 3.292 11.606 523 H VAL 69 H VAL 69 -4.379 2.436 3.861 524 HA VAL 69 HA VAL 69 -2.803 3.750 1.793 525 HB VAL 69 HB VAL 69 -5.742 3.028 1.774 526 HG11 VAL 69 1HG1 VAL 69 -5.163 4.760 0.165 527 HG12 VAL 69 2HG1 VAL 69 -5.553 3.248 -0.655 528 HG13 VAL 69 3HG1 VAL 69 -3.870 3.746 -0.479 529 HG21 VAL 69 3HG2 VAL 69 -3.388 1.492 0.686 530 HG22 VAL 69 1HG2 VAL 69 -5.084 1.098 0.404 531 HG23 VAL 69 2HG2 VAL 69 -4.419 1.019 2.036 532 H GLU 70 H GLU 70 -2.886 5.888 1.367 533 HA GLU 70 HA GLU 70 -4.414 7.663 3.021 534 HB2 GLU 70 1HB GLU 70 -2.731 8.096 0.548 535 HB3 GLU 70 2HB GLU 70 -3.569 9.404 1.371 536 HG2 GLU 70 1HG GLU 70 -1.538 7.612 2.679 537 HG3 GLU 70 2HG GLU 70 -1.169 9.180 1.963 538 HA PRO 71 HA PRO 71 -8.203 7.126 0.753 539 HB2 PRO 71 1HB PRO 71 -8.835 9.755 1.986 540 HB3 PRO 71 2HB PRO 71 -9.748 8.242 2.026 541 HG2 PRO 71 1HG PRO 71 -8.401 9.072 4.168 542 HG3 PRO 71 2HG PRO 71 -8.453 7.353 3.733 543 HD2 PRO 71 1HD PRO 71 -6.255 9.341 3.339 544 HD3 PRO 71 2HD PRO 71 -6.159 7.630 3.805 545 H ILE 72 H ILE 72 -9.003 7.838 -1.149 546 HA ILE 72 HA ILE 72 -7.407 9.747 -2.600 547 HB ILE 72 HB ILE 72 -9.879 8.298 -3.555 548 HG12 ILE 72 1HG1 ILE 72 -8.259 6.655 -2.736 549 HG13 ILE 72 2HG1 ILE 72 -8.366 6.597 -4.490 550 HG21 ILE 72 1HG2 ILE 72 -7.566 9.511 -5.061 551 HG22 ILE 72 2HG2 ILE 72 -9.197 10.172 -4.947 552 HG23 ILE 72 3HG2 ILE 72 -8.922 8.642 -5.779 553 HD11 ILE 72 3HD1 ILE 72 -6.193 7.944 -2.904 554 HD12 ILE 72 1HD1 ILE 72 -6.293 7.864 -4.663 555 HD13 ILE 72 2HD1 ILE 72 -6.071 6.388 -3.723 556 HA PRO 73 HA PRO 73 -10.265 13.087 -1.599 557 HB2 PRO 73 1HB PRO 73 -8.607 14.572 -3.532 558 HB3 PRO 73 2HB PRO 73 -8.937 14.927 -1.835 559 HG2 PRO 73 1HG PRO 73 -6.531 14.062 -2.645 560 HG3 PRO 73 2HG PRO 73 -7.217 13.583 -1.081 561 HD2 PRO 73 1HD PRO 73 -7.089 12.039 -3.645 562 HD3 PRO 73 2HD PRO 73 -6.812 11.482 -1.980 563 H ASN 74 H ASN 74 -12.001 13.936 -2.642 564 HA ASN 74 HA ASN 74 -13.494 14.478 -4.278 565 HB2 ASN 74 1HB ASN 74 -11.320 13.672 -6.222 566 HB3 ASN 74 2HB ASN 74 -12.857 14.395 -6.679 567 HD21 ASN 74 2HD2 ASN 74 -10.078 15.317 -7.022 568 HD22 ASN 74 1HD2 ASN 74 -10.030 16.895 -6.317 569 H ILE 75 H ILE 75 -11.776 11.424 -4.738 570 HA ILE 75 HA ILE 75 -14.235 10.221 -5.818 571 HB ILE 75 HB ILE 75 -11.461 9.010 -5.773 572 HG12 ILE 75 1HG1 ILE 75 -12.832 10.589 -7.962 573 HG13 ILE 75 2HG1 ILE 75 -11.396 11.077 -7.065 574 HG21 ILE 75 1HG2 ILE 75 -13.920 8.333 -7.386 575 HG22 ILE 75 2HG2 ILE 75 -13.267 7.396 -6.042 576 HG23 ILE 75 3HG2 ILE 75 -12.345 7.556 -7.537 577 HD11 ILE 75 3HD1 ILE 75 -10.843 10.264 -9.289 578 HD12 ILE 75 1HD1 ILE 75 -11.591 8.712 -8.913 579 HD13 ILE 75 2HD1 ILE 75 -10.151 9.233 -8.037 580 H LYS 76 H LYS 76 -14.893 8.106 -4.996 581 HA LYS 76 HA LYS 76 -14.383 7.844 -2.128 582 HB2 LYS 76 1HB LYS 76 -16.715 7.825 -2.932 583 HB3 LYS 76 2HB LYS 76 -16.358 6.430 -3.938 584 HG2 LYS 76 1HG LYS 76 -15.850 5.135 -1.894 585 HG3 LYS 76 2HG LYS 76 -16.338 6.531 -0.931 586 HD2 LYS 76 1HD LYS 76 -18.572 6.435 -1.905 587 HD3 LYS 76 2HD LYS 76 -18.087 5.061 -2.900 588 HE2 LYS 76 1HE LYS 76 -18.197 5.137 0.112 589 HE3 LYS 76 2HE LYS 76 -19.339 4.318 -0.952 590 HZ1 LYS 76 3HZ LYS 76 -16.457 3.663 -0.635 591 HZ2 LYS 76 1HZ LYS 76 -17.514 2.898 -1.721 592 HZ3 LYS 76 2HZ LYS 76 -17.764 2.755 -0.052 593 H ILE 77 H ILE 77 -13.516 5.935 -1.198 594 HA ILE 77 HA ILE 77 -12.055 4.253 -3.104 595 HB ILE 77 HB ILE 77 -10.838 5.264 -1.159 596 HG12 ILE 77 1HG1 ILE 77 -10.885 2.236 -1.181 597 HG13 ILE 77 2HG1 ILE 77 -10.017 3.241 -2.337 598 HG21 ILE 77 1HG2 ILE 77 -11.114 4.245 1.056 599 HG22 ILE 77 2HG2 ILE 77 -12.490 3.322 0.449 600 HG23 ILE 77 3HG2 ILE 77 -12.574 5.084 0.527 601 HD11 ILE 77 3HD1 ILE 77 -9.505 3.124 0.627 602 HD12 ILE 77 1HD1 ILE 77 -8.629 4.116 -0.537 603 HD13 ILE 77 2HD1 ILE 77 -8.531 2.359 -0.631 604 H VAL 78 H VAL 78 -12.293 2.018 -3.203 605 HA VAL 78 HA VAL 78 -14.733 0.981 -1.902 606 HB VAL 78 HB VAL 78 -13.493 0.029 -4.492 607 HG11 VAL 78 1HG1 VAL 78 -14.703 -1.722 -3.315 608 HG12 VAL 78 2HG1 VAL 78 -15.580 -1.226 -4.763 609 HG13 VAL 78 3HG1 VAL 78 -16.115 -0.674 -3.176 610 HG21 VAL 78 3HG2 VAL 78 -14.402 2.250 -4.784 611 HG22 VAL 78 1HG2 VAL 78 -15.920 1.755 -4.035 612 HG23 VAL 78 2HG2 VAL 78 -15.435 1.065 -5.584 613 H GLU 79 H GLU 79 -11.807 -0.400 -3.426 614 HA GLU 79 HA GLU 79 -11.875 -2.453 -1.306 615 HB2 GLU 79 1HB GLU 79 -12.599 -3.266 -3.538 616 HB3 GLU 79 2HB GLU 79 -11.033 -2.810 -4.189 617 HG2 GLU 79 1HG GLU 79 -11.209 -5.212 -3.726 618 HG3 GLU 79 2HG GLU 79 -9.929 -4.434 -2.796 619 H ILE 80 H ILE 80 -9.930 -3.278 -0.541 620 HA ILE 80 HA ILE 80 -7.476 -1.884 -1.374 621 HB ILE 80 HB ILE 80 -8.303 -2.397 1.492 622 HG12 ILE 80 1HG1 ILE 80 -7.845 0.212 0.022 623 HG13 ILE 80 2HG1 ILE 80 -9.420 -0.447 0.453 624 HG21 ILE 80 1HG2 ILE 80 -5.765 -1.193 0.395 625 HG22 ILE 80 2HG2 ILE 80 -5.921 -2.767 1.176 626 HG23 ILE 80 3HG2 ILE 80 -6.202 -1.291 2.101 627 HD11 ILE 80 3HD1 ILE 80 -7.274 0.398 2.388 628 HD12 ILE 80 1HD1 ILE 80 -8.856 -0.252 2.817 629 HD13 ILE 80 2HD1 ILE 80 -8.736 1.303 1.992 630 H SER 81 H SER 81 -6.361 -3.487 -2.300 631 HA SER 81 HA SER 81 -5.806 -5.862 -0.675 632 HB2 SER 81 1HB SER 81 -7.537 -6.468 -2.355 633 HB3 SER 81 2HB SER 81 -6.445 -5.946 -3.638 634 HG SER 81 HG SER 81 -6.552 -8.311 -2.379 635 HA PRO 82 HA PRO 82 -4.483 -7.137 -0.224 636 HB2 PRO 82 1HB PRO 82 -2.201 -7.426 1.155 637 HB3 PRO 82 2HB PRO 82 -2.433 -8.197 -0.418 638 HG2 PRO 82 1HG PRO 82 -0.906 -5.726 0.278 639 HG3 PRO 82 2HG PRO 82 -0.501 -7.008 -0.878 640 HD2 PRO 82 1HD PRO 82 -1.617 -4.563 -1.543 641 HD3 PRO 82 2HD PRO 82 -1.691 -6.021 -2.550 642 H ARG 83 H ARG 83 -4.171 -7.150 2.273 643 HA ARG 83 HA ARG 83 -4.757 -4.396 3.131 644 HB2 ARG 83 1HB ARG 83 -6.522 -6.359 3.034 645 HB3 ARG 83 2HB ARG 83 -5.799 -6.788 4.576 646 HG2 ARG 83 1HG ARG 83 -6.558 -4.877 5.616 647 HG3 ARG 83 2HG ARG 83 -6.732 -3.995 4.094 648 HD2 ARG 83 1HD ARG 83 -8.442 -6.286 5.057 649 HD3 ARG 83 2HD ARG 83 -8.918 -4.590 4.949 650 HE ARG 83 HE ARG 83 -8.263 -5.058 2.419 651 HH11 ARG 83 1HH1 ARG 83 -10.116 -7.058 4.636 652 HH12 ARG 83 2HH1 ARG 83 -11.098 -7.749 3.376 653 HH21 ARG 83 1HH2 ARG 83 -9.580 -5.941 0.782 654 HH22 ARG 83 2HH2 ARG 83 -10.802 -7.108 1.190 655 H VAL 84 H VAL 84 -3.518 -7.519 4.282 656 HA VAL 84 HA VAL 84 -1.679 -6.029 6.028 657 HB VAL 84 HB VAL 84 -2.898 -8.738 6.624 658 HG11 VAL 84 1HG1 VAL 84 -0.624 -8.521 7.468 659 HG12 VAL 84 2HG1 VAL 84 -1.786 -8.516 8.796 660 HG13 VAL 84 3HG1 VAL 84 -1.050 -7.006 8.262 661 HG21 VAL 84 3HG2 VAL 84 -3.397 -6.062 7.927 662 HG22 VAL 84 1HG2 VAL 84 -4.054 -7.609 8.464 663 HG23 VAL 84 2HG2 VAL 84 -4.529 -6.943 6.900 664 H VAL 85 H VAL 85 0.394 -6.356 5.501 665 HA VAL 85 HA VAL 85 0.988 -8.639 3.734 666 HB VAL 85 HB VAL 85 2.898 -7.265 2.881 667 HG11 VAL 85 1HG1 VAL 85 0.138 -6.106 2.526 668 HG12 VAL 85 2HG1 VAL 85 0.834 -7.449 1.620 669 HG13 VAL 85 3HG1 VAL 85 1.510 -5.830 1.453 670 HG21 VAL 85 3HG2 VAL 85 3.130 -5.720 4.750 671 HG22 VAL 85 1HG2 VAL 85 1.534 -5.050 4.413 672 HG23 VAL 85 2HG2 VAL 85 2.842 -4.836 3.250 673 H THR 86 H THR 86 2.575 -10.015 4.245 674 HA THR 86 HA THR 86 3.863 -9.756 6.816 675 HB THR 86 HB THR 86 4.487 -11.892 4.792 676 HG1 THR 86 HG1 THR 86 2.211 -11.761 6.536 677 HG21 THR 86 3HG2 THR 86 5.804 -11.816 6.859 678 HG22 THR 86 1HG2 THR 86 4.794 -13.260 6.797 679 HG23 THR 86 2HG2 THR 86 4.319 -11.895 7.808 680 H LEU 87 H LEU 87 5.588 -8.465 6.966 681 HA LEU 87 HA LEU 87 7.446 -8.349 4.684 682 HB2 LEU 87 1HB LEU 87 6.981 -6.332 6.882 683 HB3 LEU 87 2HB LEU 87 8.173 -6.174 5.606 684 HG LEU 87 HG LEU 87 5.178 -6.242 5.214 685 HD11 LEU 87 1HD1 LEU 87 5.436 -3.894 4.595 686 HD12 LEU 87 2HD1 LEU 87 7.153 -3.974 4.989 687 HD13 LEU 87 3HD1 LEU 87 5.946 -4.179 6.259 688 HD21 LEU 87 3HD2 LEU 87 5.683 -5.657 2.895 689 HD22 LEU 87 1HD2 LEU 87 6.362 -7.227 3.326 690 HD23 LEU 87 2HD2 LEU 87 7.408 -5.810 3.231 691 H GLN 88 H GLN 88 9.431 -9.116 4.953 692 HA GLN 88 HA GLN 88 10.267 -9.939 7.622 693 HB2 GLN 88 1HB GLN 88 10.469 -11.523 5.701 694 HB3 GLN 88 2HB GLN 88 11.639 -10.431 4.971 695 HG2 GLN 88 1HG GLN 88 13.074 -10.701 6.964 696 HG3 GLN 88 2HG GLN 88 11.924 -11.881 7.592 697 HE21 GLN 88 2HE2 GLN 88 11.736 -13.887 6.554 698 HE22 GLN 88 1HE2 GLN 88 12.978 -14.484 5.509 699 H LEU 89 H LEU 89 11.162 -8.361 8.758 700 HA LEU 89 HA LEU 89 12.861 -6.396 7.432 701 HB2 LEU 89 1HB LEU 89 11.799 -6.584 10.243 702 HB3 LEU 89 2HB LEU 89 12.912 -5.338 9.713 703 HG LEU 89 HG LEU 89 10.135 -5.788 8.634 704 HD11 LEU 89 1HD1 LEU 89 11.262 -3.629 10.407 705 HD12 LEU 89 2HD1 LEU 89 10.126 -4.888 10.894 706 HD13 LEU 89 3HD1 LEU 89 9.633 -3.654 9.733 707 HD21 LEU 89 3HD2 LEU 89 11.631 -4.929 6.923 708 HD22 LEU 89 1HD2 LEU 89 12.168 -3.653 8.015 709 HD23 LEU 89 2HD2 LEU 89 10.501 -3.678 7.443 710 H GLU 90 H GLU 90 14.945 -6.600 7.355 711 HA GLU 90 HA GLU 90 16.300 -8.420 9.216 712 HB2 GLU 90 1HB GLU 90 17.353 -7.131 6.686 713 HB3 GLU 90 2HB GLU 90 18.192 -8.327 7.662 714 HG2 GLU 90 1HG GLU 90 16.337 -9.919 7.157 715 HG3 GLU 90 2HG GLU 90 15.701 -8.723 6.027 716 H HIS 91 H HIS 91 18.416 -7.681 10.057 717 HA HIS 91 HA HIS 91 18.141 -4.999 11.104 718 HB2 HIS 91 1HB HIS 91 20.108 -7.225 11.608 719 HB3 HIS 91 2HB HIS 91 20.306 -5.624 12.310 720 HD1 HIS 91 HD1 HIS 91 19.015 -5.111 14.386 721 HD2 HIS 91 HD2 HIS 91 17.751 -8.616 12.542 722 HE1 HIS 91 HE1 HIS 91 17.461 -6.215 16.025 723 HE2 HIS 91 HE2 HIS 91 16.912 -8.448 14.987 724 H HIS 92 H HIS 92 18.883 -3.291 10.079 725 HA HIS 92 HA HIS 92 21.075 -3.531 8.168 726 HB2 HIS 92 1HB HIS 92 19.118 -2.142 7.565 727 HB3 HIS 92 2HB HIS 92 19.404 -1.127 8.970 728 HD1 HIS 92 HD1 HIS 92 19.812 -0.972 5.493 729 HD2 HIS 92 HD2 HIS 92 22.302 -0.048 8.699 730 HE1 HIS 92 HE1 HIS 92 21.537 0.615 4.586 731 HE2 HIS 92 HE2 HIS 92 22.892 1.320 6.591 732 H HIS 93 H HIS 93 22.856 -3.939 9.435 733 HA HIS 93 HA HIS 93 23.426 -2.075 11.625 734 HB2 HIS 93 1HB HIS 93 24.494 -4.788 10.909 735 HB3 HIS 93 2HB HIS 93 25.404 -3.725 11.974 736 HD1 HIS 93 HD1 HIS 93 24.073 -2.967 14.207 737 HD2 HIS 93 HD2 HIS 93 22.583 -6.265 12.156 738 HE1 HIS 93 HE1 HIS 93 22.611 -4.187 15.853 739 HE2 HIS 93 HE2 HIS 93 21.883 -6.281 14.649 740 H HIS 94 H HIS 94 24.706 -0.418 11.278 741 HA HIS 94 HA HIS 94 26.806 -0.667 9.235 742 HB2 HIS 94 1HB HIS 94 25.255 1.327 9.145 743 HB3 HIS 94 2HB HIS 94 25.926 1.841 10.689 744 HD1 HIS 94 HD1 HIS 94 27.123 3.926 9.940 745 HD2 HIS 94 HD2 HIS 94 28.108 0.592 7.655 746 HE1 HIS 94 HE1 HIS 94 29.049 4.640 8.485 747 HE2 HIS 94 HE2 HIS 94 29.768 2.543 7.286 748 H HIS 95 H HIS 95 28.809 -1.072 9.905 749 HA HIS 95 HA HIS 95 29.383 -1.737 12.551 750 HB2 HIS 95 1HB HIS 95 30.619 -2.481 10.467 751 HB3 HIS 95 2HB HIS 95 31.434 -0.923 10.484 752 HD1 HIS 95 HD1 HIS 95 31.684 -4.304 11.759 753 HD2 HIS 95 HD2 HIS 95 33.054 -0.550 12.926 754 HE1 HIS 95 HE1 HIS 95 33.544 -4.735 13.396 755 HE2 HIS 95 HE2 HIS 95 34.478 -2.461 13.945 756 H HIS 96 H HIS 96 30.805 0.967 10.746 757 HA HIS 96 HA HIS 96 30.228 3.005 12.528 758 HB2 HIS 96 1HB HIS 96 31.644 1.809 14.150 759 HB3 HIS 96 2HB HIS 96 32.973 1.801 12.997 760 HD1 HIS 96 HD1 HIS 96 34.672 3.378 13.801 761 HD2 HIS 96 HD2 HIS 96 30.825 4.858 14.358 762 HE1 HIS 96 HE1 HIS 96 34.965 5.690 14.749 763 HE2 HIS 96 HE2 HIS 96 32.629 6.526 15.184 Start of MODEL 5 1 H1 SER 1 1H SER 1 -3.476 5.392 -17.104 2 H2 SER 1 2H SER 1 -3.951 4.052 -18.026 3 H3 SER 1 3H SER 1 -2.306 4.449 -17.893 4 HA SER 1 HA SER 1 -2.788 2.579 -16.508 5 HB2 SER 1 1HB SER 1 -2.169 3.647 -14.264 6 HB3 SER 1 2HB SER 1 -1.088 3.976 -15.617 7 HG SER 1 HG SER 1 -1.457 5.930 -14.691 8 H SER 2 H SER 2 -4.888 5.342 -15.910 9 HA SER 2 HA SER 2 -6.848 3.494 -14.728 10 HB2 SER 2 1HB SER 2 -5.963 4.988 -12.990 11 HB3 SER 2 2HB SER 2 -6.361 6.392 -13.981 12 HG SER 2 HG SER 2 -8.134 6.283 -12.833 13 H GLN 3 H GLN 3 -9.056 3.972 -15.239 14 HA GLN 3 HA GLN 3 -9.294 5.494 -17.742 15 HB2 GLN 3 1HB GLN 3 -10.942 3.166 -16.749 16 HB3 GLN 3 2HB GLN 3 -11.255 4.058 -18.230 17 HG2 GLN 3 1HG GLN 3 -8.988 3.393 -19.021 18 HG3 GLN 3 2HG GLN 3 -8.857 2.362 -17.596 19 HE21 GLN 3 2HE2 GLN 3 -8.864 1.679 -20.425 20 HE22 GLN 3 1HE2 GLN 3 -10.162 0.554 -20.640 21 H THR 4 H THR 4 -10.301 7.352 -17.556 22 HA THR 4 HA THR 4 -12.066 7.916 -15.345 23 HB THR 4 HB THR 4 -12.312 10.132 -16.667 24 HG1 THR 4 HG1 THR 4 -10.935 10.423 -18.334 25 HG21 THR 4 3HG2 THR 4 -10.149 10.938 -15.828 26 HG22 THR 4 1HG2 THR 4 -9.613 9.272 -15.611 27 HG23 THR 4 2HG2 THR 4 -10.949 9.902 -14.646 28 H LEU 5 H LEU 5 -12.536 6.135 -17.954 29 HA LEU 5 HA LEU 5 -15.174 7.224 -18.627 30 HB2 LEU 5 1HB LEU 5 -13.580 5.071 -20.024 31 HB3 LEU 5 2HB LEU 5 -15.107 5.739 -20.569 32 HG LEU 5 HG LEU 5 -12.480 7.216 -20.392 33 HD11 LEU 5 1HD1 LEU 5 -14.130 6.341 -22.759 34 HD12 LEU 5 2HD1 LEU 5 -12.593 5.641 -22.245 35 HD13 LEU 5 3HD1 LEU 5 -12.654 7.305 -22.827 36 HD21 LEU 5 3HD2 LEU 5 -13.666 9.078 -21.438 37 HD22 LEU 5 1HD2 LEU 5 -14.350 8.690 -19.860 38 HD23 LEU 5 2HD2 LEU 5 -15.180 8.181 -21.331 39 H ASP 6 H ASP 6 -13.921 5.226 -16.432 40 HA ASP 6 HA ASP 6 -16.213 3.378 -16.533 41 HB2 ASP 6 1HB ASP 6 -13.932 2.303 -16.759 42 HB3 ASP 6 2HB ASP 6 -13.587 2.856 -15.124 43 H ARG 7 H ARG 7 -17.367 3.056 -14.662 44 HA ARG 7 HA ARG 7 -17.599 5.280 -12.957 45 HB2 ARG 7 1HB ARG 7 -19.510 3.912 -13.505 46 HB3 ARG 7 2HB ARG 7 -18.764 2.502 -12.771 47 HG2 ARG 7 1HG ARG 7 -19.000 3.428 -10.585 48 HG3 ARG 7 2HG ARG 7 -19.519 4.981 -11.243 49 HD2 ARG 7 1HD ARG 7 -21.024 2.431 -11.764 50 HD3 ARG 7 2HD ARG 7 -21.335 3.430 -10.345 51 HE ARG 7 HE ARG 7 -22.202 5.115 -11.728 52 HH11 ARG 7 1HH1 ARG 7 -21.197 2.298 -13.557 53 HH12 ARG 7 2HH1 ARG 7 -22.047 2.772 -14.995 54 HH21 ARG 7 1HH2 ARG 7 -23.356 5.723 -13.610 55 HH22 ARG 7 2HH2 ARG 7 -23.287 4.711 -15.024 56 H ASP 8 H ASP 8 -15.810 2.288 -12.657 57 HA ASP 8 HA ASP 8 -14.581 3.349 -10.257 58 HB2 ASP 8 1HB ASP 8 -14.863 1.268 -8.952 59 HB3 ASP 8 2HB ASP 8 -16.391 2.074 -9.272 60 HA PRO 9 HA PRO 9 -11.432 1.370 -12.855 61 HB2 PRO 9 1HB PRO 9 -9.537 3.236 -12.478 62 HB3 PRO 9 2HB PRO 9 -10.869 3.476 -13.617 63 HG2 PRO 9 1HG PRO 9 -10.535 4.534 -10.839 64 HG3 PRO 9 2HG PRO 9 -11.146 5.358 -12.284 65 HD2 PRO 9 1HD PRO 9 -12.750 4.295 -10.327 66 HD3 PRO 9 2HD PRO 9 -13.258 4.520 -12.012 67 H THR 10 H THR 10 -9.208 0.672 -12.334 68 HA THR 10 HA THR 10 -8.874 0.106 -9.465 69 HB THR 10 HB THR 10 -7.452 -1.224 -11.780 70 HG1 THR 10 HG1 THR 10 -9.803 -1.482 -11.817 71 HG21 THR 10 3HG2 THR 10 -7.885 -2.083 -8.913 72 HG22 THR 10 1HG2 THR 10 -6.371 -1.489 -9.598 73 HG23 THR 10 2HG2 THR 10 -7.046 -3.021 -10.153 74 H LEU 11 H LEU 11 -7.650 1.733 -8.591 75 HA LEU 11 HA LEU 11 -5.531 2.935 -10.157 76 HB2 LEU 11 1HB LEU 11 -6.315 3.416 -7.287 77 HB3 LEU 11 2HB LEU 11 -5.172 4.372 -8.205 78 HG LEU 11 HG LEU 11 -8.106 4.108 -8.828 79 HD11 LEU 11 1HD1 LEU 11 -8.265 6.421 -8.048 80 HD12 LEU 11 2HD1 LEU 11 -6.562 6.383 -7.592 81 HD13 LEU 11 3HD1 LEU 11 -7.721 5.345 -6.761 82 HD21 LEU 11 3HD2 LEU 11 -7.696 5.940 -10.396 83 HD22 LEU 11 1HD2 LEU 11 -6.766 4.501 -10.812 84 HD23 LEU 11 2HD2 LEU 11 -5.974 5.865 -10.023 85 H THR 12 H THR 12 -3.417 2.597 -9.941 86 HA THR 12 HA THR 12 -2.618 0.423 -8.125 87 HB THR 12 HB THR 12 -1.216 1.238 -10.675 88 HG1 THR 12 HG1 THR 12 -3.508 0.336 -10.765 89 HG21 THR 12 3HG2 THR 12 -0.182 -0.978 -10.490 90 HG22 THR 12 1HG2 THR 12 -1.064 -1.267 -8.990 91 HG23 THR 12 2HG2 THR 12 0.158 0.002 -9.064 92 H LEU 13 H LEU 13 -1.730 1.320 -6.379 93 HA LEU 13 HA LEU 13 -0.012 3.684 -6.715 94 HB2 LEU 13 1HB LEU 13 -1.250 2.610 -4.177 95 HB3 LEU 13 2HB LEU 13 -0.390 4.127 -4.360 96 HG LEU 13 HG LEU 13 -3.065 3.436 -5.578 97 HD11 LEU 13 1HD1 LEU 13 -2.299 5.381 -3.409 98 HD12 LEU 13 2HD1 LEU 13 -3.160 3.858 -3.183 99 HD13 LEU 13 3HD1 LEU 13 -3.914 5.172 -4.088 100 HD21 LEU 13 3HD2 LEU 13 -1.769 4.867 -7.066 101 HD22 LEU 13 1HD2 LEU 13 -1.468 5.987 -5.738 102 HD23 LEU 13 2HD2 LEU 13 -3.109 5.754 -6.342 103 H SER 14 H SER 14 1.940 3.787 -5.402 104 HA SER 14 HA SER 14 3.279 1.197 -5.362 105 HB2 SER 14 1HB SER 14 4.475 3.924 -4.812 106 HB3 SER 14 2HB SER 14 5.323 2.452 -5.285 107 HG SER 14 HG SER 14 4.160 4.337 -6.840 108 H LEU 15 H LEU 15 4.188 0.285 -3.527 109 HA LEU 15 HA LEU 15 3.167 1.281 -0.982 110 HB2 LEU 15 1HB LEU 15 2.891 -1.104 -1.571 111 HB3 LEU 15 2HB LEU 15 4.634 -1.278 -1.637 112 HG LEU 15 HG LEU 15 4.739 -0.705 0.786 113 HD11 LEU 15 1HD1 LEU 15 1.734 -0.894 0.609 114 HD12 LEU 15 2HD1 LEU 15 2.668 0.559 0.964 115 HD13 LEU 15 3HD1 LEU 15 2.674 -0.792 2.098 116 HD21 LEU 15 3HD2 LEU 15 4.758 -3.025 0.044 117 HD22 LEU 15 1HD2 LEU 15 2.995 -3.057 0.065 118 HD23 LEU 15 2HD2 LEU 15 3.891 -2.860 1.572 119 H ILE 16 H ILE 16 4.406 2.198 0.546 120 HA ILE 16 HA ILE 16 7.333 2.056 0.259 121 HB ILE 16 HB ILE 16 7.507 4.418 0.985 122 HG12 ILE 16 1HG1 ILE 16 4.531 4.529 0.448 123 HG13 ILE 16 2HG1 ILE 16 5.260 4.547 2.050 124 HG21 ILE 16 1HG2 ILE 16 7.710 3.869 -1.368 125 HG22 ILE 16 2HG2 ILE 16 6.897 5.422 -1.173 126 HG23 ILE 16 3HG2 ILE 16 5.961 3.980 -1.566 127 HD11 ILE 16 3HD1 ILE 16 5.662 6.624 -0.088 128 HD12 ILE 16 1HD1 ILE 16 6.375 6.646 1.524 129 HD13 ILE 16 2HD1 ILE 16 4.627 6.778 1.331 130 H ALA 17 H ALA 17 8.485 2.642 2.249 131 HA ALA 17 HA ALA 17 7.057 1.645 4.607 132 HB1 ALA 17 3HB ALA 17 10.008 2.073 4.151 133 HB2 ALA 17 1HB ALA 17 9.154 0.536 4.008 134 HB3 ALA 17 2HB ALA 17 9.276 1.335 5.576 135 H LYS 18 H LYS 18 6.475 2.968 6.217 136 HA LYS 18 HA LYS 18 7.645 5.672 6.271 137 HB2 LYS 18 1HB LYS 18 5.275 5.482 5.331 138 HB3 LYS 18 2HB LYS 18 4.776 5.043 6.956 139 HG2 LYS 18 1HG LYS 18 5.488 7.180 7.805 140 HG3 LYS 18 2HG LYS 18 6.151 7.620 6.228 141 HD2 LYS 18 1HD LYS 18 3.889 7.437 5.260 142 HD3 LYS 18 2HD LYS 18 3.251 7.080 6.864 143 HE2 LYS 18 1HE LYS 18 4.652 9.622 6.045 144 HE3 LYS 18 2HE LYS 18 2.914 9.424 6.246 145 HZ1 LYS 18 3HZ LYS 18 3.472 8.745 8.614 146 HZ2 LYS 18 1HZ LYS 18 3.662 10.384 8.222 147 HZ3 LYS 18 2HZ LYS 18 5.018 9.378 8.324 148 H ASN 19 H ASN 19 8.118 6.511 8.256 149 HA ASN 19 HA ASN 19 8.691 6.540 10.451 150 HB2 ASN 19 1HB ASN 19 6.255 4.768 10.655 151 HB3 ASN 19 2HB ASN 19 7.202 5.230 12.065 152 HD21 ASN 19 2HD2 ASN 19 5.465 6.320 12.961 153 HD22 ASN 19 1HD2 ASN 19 4.939 7.862 12.362 154 H THR 20 H THR 20 9.588 4.417 8.519 155 HA THR 20 HA THR 20 10.195 2.137 10.180 156 HB THR 20 HB THR 20 11.095 2.793 7.364 157 HG1 THR 20 HG1 THR 20 8.704 2.116 8.323 158 HG21 THR 20 3HG2 THR 20 11.085 0.174 8.876 159 HG22 THR 20 1HG2 THR 20 12.516 1.114 8.454 160 HG23 THR 20 2HG2 THR 20 11.535 0.385 7.183 161 HA PRO 21 HA PRO 21 13.942 4.107 11.592 162 HB2 PRO 21 1HB PRO 21 14.700 2.152 13.305 163 HB3 PRO 21 2HB PRO 21 13.406 3.296 13.668 164 HG2 PRO 21 1HG PRO 21 13.237 0.458 12.786 165 HG3 PRO 21 2HG PRO 21 12.195 1.354 13.908 166 HD2 PRO 21 1HD PRO 21 11.583 0.798 11.269 167 HD3 PRO 21 2HD PRO 21 10.850 2.096 12.230 168 H ALA 22 H ALA 22 16.274 3.282 11.992 169 HA ALA 22 HA ALA 22 17.142 2.147 9.479 170 HB1 ALA 22 3HB ALA 22 18.261 4.114 10.409 171 HB2 ALA 22 1HB ALA 22 19.383 2.767 10.212 172 HB3 ALA 22 2HB ALA 22 18.758 3.169 11.812 173 H ASN 23 H ASN 23 16.456 0.956 12.570 174 HA ASN 23 HA ASN 23 18.469 -1.096 12.649 175 HB2 ASN 23 1HB ASN 23 15.959 -0.703 14.289 176 HB3 ASN 23 2HB ASN 23 17.144 -1.973 14.581 177 HD21 ASN 23 2HD2 ASN 23 16.304 0.185 16.318 178 HD22 ASN 23 1HD2 ASN 23 17.727 1.094 16.690 179 H SER 24 H SER 24 15.532 -0.740 11.038 180 HA SER 24 HA SER 24 15.161 -3.641 10.839 181 HB2 SER 24 1HB SER 24 12.820 -2.965 10.049 182 HB3 SER 24 2HB SER 24 13.185 -2.704 11.756 183 HG SER 24 HG SER 24 13.411 -0.721 9.735 184 H MET 25 H MET 25 15.985 -4.433 9.046 185 HA MET 25 HA MET 25 16.065 -2.752 6.640 186 HB2 MET 25 1HB MET 25 18.208 -3.641 7.389 187 HB3 MET 25 2HB MET 25 17.566 -5.277 7.354 188 HG2 MET 25 1HG MET 25 17.257 -5.085 4.923 189 HG3 MET 25 2HG MET 25 17.957 -3.469 4.977 190 HE1 MET 25 3HE MET 25 19.051 -6.612 7.075 191 HE2 MET 25 1HE MET 25 20.293 -7.309 6.034 192 HE3 MET 25 2HE MET 25 18.606 -7.305 5.515 193 H ILE 26 H ILE 26 14.743 -3.189 4.997 194 HA ILE 26 HA ILE 26 12.842 -5.352 5.361 195 HB ILE 26 HB ILE 26 12.856 -3.265 3.180 196 HG12 ILE 26 1HG1 ILE 26 11.530 -3.164 5.898 197 HG13 ILE 26 2HG1 ILE 26 12.912 -2.197 5.401 198 HG21 ILE 26 1HG2 ILE 26 10.450 -3.737 3.095 199 HG22 ILE 26 2HG2 ILE 26 10.651 -4.967 4.344 200 HG23 ILE 26 3HG2 ILE 26 11.409 -5.181 2.765 201 HD11 ILE 26 3HD1 ILE 26 10.862 -0.906 5.322 202 HD12 ILE 26 1HD1 ILE 26 10.153 -2.074 4.208 203 HD13 ILE 26 2HD1 ILE 26 11.539 -1.106 3.705 204 H MET 27 H MET 27 13.130 -7.269 4.454 205 HA MET 27 HA MET 27 14.891 -7.530 2.144 206 HB2 MET 27 1HB MET 27 13.531 -9.619 3.856 207 HB3 MET 27 2HB MET 27 14.613 -9.976 2.517 208 HG2 MET 27 1HG MET 27 15.321 -8.534 5.061 209 HG3 MET 27 2HG MET 27 15.784 -10.175 4.612 210 HE1 MET 27 3HE MET 27 18.122 -9.460 1.510 211 HE2 MET 27 1HE MET 27 16.373 -9.687 1.459 212 HE3 MET 27 2HE MET 27 17.366 -10.709 2.498 213 H THR 28 H THR 28 11.524 -7.794 3.025 214 HA THR 28 HA THR 28 10.634 -8.932 0.569 215 HB THR 28 HB THR 28 9.065 -7.297 2.578 216 HG1 THR 28 HG1 THR 28 9.004 -10.115 2.395 217 HG21 THR 28 3HG2 THR 28 7.936 -7.496 0.412 218 HG22 THR 28 1HG2 THR 28 7.105 -8.439 1.651 219 HG23 THR 28 2HG2 THR 28 8.132 -9.248 0.469 220 H LYS 29 H LYS 29 11.066 -7.884 -1.274 221 HA LYS 29 HA LYS 29 11.367 -5.084 -1.487 222 HB2 LYS 29 1HB LYS 29 10.892 -7.145 -3.651 223 HB3 LYS 29 2HB LYS 29 11.439 -5.493 -3.923 224 HG2 LYS 29 1HG LYS 29 13.469 -5.927 -2.676 225 HG3 LYS 29 2HG LYS 29 12.917 -7.558 -2.304 226 HD2 LYS 29 1HD LYS 29 12.920 -8.069 -4.722 227 HD3 LYS 29 2HD LYS 29 13.569 -6.457 -5.036 228 HE2 LYS 29 1HE LYS 29 15.541 -6.973 -3.712 229 HE3 LYS 29 2HE LYS 29 14.885 -8.560 -3.318 230 HZ1 LYS 29 3HZ LYS 29 16.502 -8.726 -5.080 231 HZ2 LYS 29 1HZ LYS 29 15.653 -7.601 -6.026 232 HZ3 LYS 29 2HZ LYS 29 14.965 -9.118 -5.684 233 H LEU 30 H LEU 30 9.992 -3.506 -1.944 234 HA LEU 30 HA LEU 30 7.254 -4.033 -1.341 235 HB2 LEU 30 1HB LEU 30 8.586 -1.461 -2.191 236 HB3 LEU 30 2HB LEU 30 6.984 -1.601 -1.494 237 HG LEU 30 HG LEU 30 9.560 -2.319 -0.089 238 HD11 LEU 30 1HD1 LEU 30 9.357 0.079 -0.425 239 HD12 LEU 30 2HD1 LEU 30 9.119 -0.337 1.272 240 HD13 LEU 30 3HD1 LEU 30 7.730 0.052 0.256 241 HD21 LEU 30 3HD2 LEU 30 8.156 -2.512 1.904 242 HD22 LEU 30 1HD2 LEU 30 7.677 -3.670 0.663 243 HD23 LEU 30 2HD2 LEU 30 6.720 -2.211 0.924 244 HA PRO 31 HA PRO 31 5.837 -4.066 -5.586 245 HB2 PRO 31 1HB PRO 31 3.511 -5.270 -5.085 246 HB3 PRO 31 2HB PRO 31 5.038 -6.148 -4.935 247 HG2 PRO 31 1HG PRO 31 3.229 -5.136 -2.821 248 HG3 PRO 31 2HG PRO 31 4.347 -6.508 -2.784 249 HD2 PRO 31 1HD PRO 31 4.770 -3.861 -1.770 250 HD3 PRO 31 2HD PRO 31 5.907 -5.222 -1.768 251 H SER 32 H SER 32 3.244 -3.766 -6.265 252 HA SER 32 HA SER 32 2.522 -1.097 -5.309 253 HB2 SER 32 1HB SER 32 1.084 -1.083 -7.398 254 HB3 SER 32 2HB SER 32 2.822 -1.143 -7.686 255 HG SER 32 HG SER 32 2.671 -3.169 -8.381 256 H VAL 33 H VAL 33 0.232 -0.650 -4.960 257 HA VAL 33 HA VAL 33 -1.251 -3.045 -4.088 258 HB VAL 33 HB VAL 33 -2.499 -1.604 -2.547 259 HG11 VAL 33 1HG1 VAL 33 -0.696 -1.149 -0.947 260 HG12 VAL 33 2HG1 VAL 33 0.491 -1.356 -2.235 261 HG13 VAL 33 3HG1 VAL 33 -0.503 -2.721 -1.724 262 HG21 VAL 33 3HG2 VAL 33 -1.783 0.706 -2.135 263 HG22 VAL 33 1HG2 VAL 33 -2.384 0.490 -3.778 264 HG23 VAL 33 2HG2 VAL 33 -0.649 0.588 -3.481 265 H ARG 34 H ARG 34 -3.543 -3.064 -4.467 266 HA ARG 34 HA ARG 34 -4.265 -1.446 -6.820 267 HB2 ARG 34 1HB ARG 34 -5.311 -4.178 -6.061 268 HB3 ARG 34 2HB ARG 34 -5.719 -3.274 -7.515 269 HG2 ARG 34 1HG ARG 34 -3.386 -3.416 -8.244 270 HG3 ARG 34 2HG ARG 34 -3.004 -4.355 -6.798 271 HD2 ARG 34 1HD ARG 34 -4.716 -6.022 -7.539 272 HD3 ARG 34 2HD ARG 34 -4.843 -5.126 -9.054 273 HE ARG 34 HE ARG 34 -2.153 -5.664 -8.656 274 HH11 ARG 34 1HH1 ARG 34 -5.120 -7.410 -9.278 275 HH12 ARG 34 2HH1 ARG 34 -4.319 -8.800 -9.957 276 HH21 ARG 34 1HH2 ARG 34 -1.086 -7.476 -9.532 277 HH22 ARG 34 2HH2 ARG 34 -2.009 -8.831 -10.096 278 H VAL 35 H VAL 35 -5.338 0.225 -5.904 279 HA VAL 35 HA VAL 35 -7.401 -0.422 -3.945 280 HB VAL 35 HB VAL 35 -7.570 2.045 -3.577 281 HG11 VAL 35 1HG1 VAL 35 -6.261 0.635 -2.096 282 HG12 VAL 35 2HG1 VAL 35 -5.485 2.207 -2.293 283 HG13 VAL 35 3HG1 VAL 35 -4.857 0.799 -3.150 284 HG21 VAL 35 3HG2 VAL 35 -6.735 2.957 -5.597 285 HG22 VAL 35 1HG2 VAL 35 -5.207 2.090 -5.441 286 HG23 VAL 35 2HG2 VAL 35 -5.596 3.401 -4.328 287 H LYS 36 H LYS 36 -9.204 -0.979 -4.820 288 HA LYS 36 HA LYS 36 -10.171 0.014 -7.325 289 HB2 LYS 36 1HB LYS 36 -11.527 -1.576 -5.131 290 HB3 LYS 36 2HB LYS 36 -12.215 -1.273 -6.721 291 HG2 LYS 36 1HG LYS 36 -9.595 -2.688 -6.307 292 HG3 LYS 36 2HG LYS 36 -11.148 -3.523 -6.396 293 HD2 LYS 36 1HD LYS 36 -10.574 -1.603 -8.561 294 HD3 LYS 36 2HD LYS 36 -9.578 -3.059 -8.530 295 HE2 LYS 36 1HE LYS 36 -11.656 -3.219 -9.920 296 HE3 LYS 36 2HE LYS 36 -11.480 -4.466 -8.692 297 HZ1 LYS 36 3HZ LYS 36 -13.130 -2.022 -8.358 298 HZ2 LYS 36 1HZ LYS 36 -13.058 -3.359 -7.316 299 HZ3 LYS 36 2HZ LYS 36 -13.740 -3.522 -8.857 300 H THR 37 H THR 37 -11.497 1.759 -7.656 301 HA THR 37 HA THR 37 -12.608 3.059 -5.264 302 HB THR 37 HB THR 37 -11.922 5.280 -6.270 303 HG1 THR 37 HG1 THR 37 -11.292 3.937 -8.321 304 HG21 THR 37 3HG2 THR 37 -9.712 3.408 -5.415 305 HG22 THR 37 1HG2 THR 37 -10.750 4.346 -4.342 306 HG23 THR 37 2HG2 THR 37 -9.621 5.169 -5.417 307 H GLU 38 H GLU 38 -14.657 3.636 -5.494 308 HA GLU 38 HA GLU 38 -15.914 3.591 -8.113 309 HB2 GLU 38 1HB GLU 38 -17.070 4.113 -5.360 310 HB3 GLU 38 2HB GLU 38 -18.010 3.986 -6.839 311 HG2 GLU 38 1HG GLU 38 -17.369 1.676 -7.096 312 HG3 GLU 38 2HG GLU 38 -16.311 1.788 -5.694 313 H GLY 39 H GLY 39 -15.169 5.391 -9.200 314 HA2 GLY 39 1HA GLY 39 -16.437 7.770 -9.071 315 HA3 GLY 39 2HA GLY 39 -15.134 7.973 -7.910 316 H TYR 40 H TYR 40 -15.495 9.498 -10.227 317 HA TYR 40 HA TYR 40 -13.422 8.569 -12.089 318 HB2 TYR 40 1HB TYR 40 -15.258 10.968 -12.344 319 HB3 TYR 40 2HB TYR 40 -14.248 10.273 -13.606 320 HD1 TYR 40 HD1 TYR 40 -17.195 9.595 -11.455 321 HD2 TYR 40 HD2 TYR 40 -15.070 8.551 -14.988 322 HE1 TYR 40 HE1 TYR 40 -19.074 8.181 -12.158 323 HE2 TYR 40 HE2 TYR 40 -16.948 7.132 -15.703 324 HH TYR 40 HH TYR 40 -20.009 7.168 -14.028 325 H ASN 41 H ASN 41 -11.397 9.331 -11.815 326 HA ASN 41 HA ASN 41 -11.107 11.875 -10.378 327 HB2 ASN 41 1HB ASN 41 -9.086 10.863 -9.236 328 HB3 ASN 41 2HB ASN 41 -10.652 10.260 -8.718 329 HD21 ASN 41 2HD2 ASN 41 -11.277 8.154 -9.313 330 HD22 ASN 41 1HD2 ASN 41 -10.108 6.975 -9.788 331 HA PRO 42 HA PRO 42 -8.216 12.358 -13.857 332 HB2 PRO 42 1HB PRO 42 -9.323 14.530 -14.978 333 HB3 PRO 42 2HB PRO 42 -9.907 12.900 -15.335 334 HG2 PRO 42 1HG PRO 42 -11.109 15.012 -13.631 335 HG3 PRO 42 2HG PRO 42 -11.900 13.747 -14.583 336 HD2 PRO 42 1HD PRO 42 -11.402 13.717 -11.802 337 HD3 PRO 42 2HD PRO 42 -11.970 12.362 -12.793 338 H SER 43 H SER 43 -9.436 14.275 -11.270 339 HA SER 43 HA SER 43 -7.363 16.316 -11.590 340 HB2 SER 43 1HB SER 43 -9.684 17.061 -11.161 341 HB3 SER 43 2HB SER 43 -9.683 16.167 -9.643 342 HG SER 43 HG SER 43 -7.654 17.581 -9.306 343 H ILE 44 H ILE 44 -7.125 13.403 -10.558 344 HA ILE 44 HA ILE 44 -5.652 14.093 -8.102 345 HB ILE 44 HB ILE 44 -7.164 11.523 -8.628 346 HG12 ILE 44 1HG1 ILE 44 -7.685 13.754 -6.647 347 HG13 ILE 44 2HG1 ILE 44 -8.640 13.418 -8.087 348 HG21 ILE 44 1HG2 ILE 44 -5.116 11.139 -7.361 349 HG22 ILE 44 2HG2 ILE 44 -6.540 10.913 -6.343 350 HG23 ILE 44 3HG2 ILE 44 -5.586 12.389 -6.208 351 HD11 ILE 44 3HD1 ILE 44 -8.328 11.594 -5.711 352 HD12 ILE 44 1HD1 ILE 44 -9.297 11.267 -7.148 353 HD13 ILE 44 2HD1 ILE 44 -9.731 12.598 -6.079 354 H ASN 45 H ASN 45 -3.602 13.301 -7.926 355 HA ASN 45 HA ASN 45 -2.510 12.014 -10.317 356 HB2 ASN 45 1HB ASN 45 -1.157 13.347 -7.961 357 HB3 ASN 45 2HB ASN 45 -0.294 12.567 -9.280 358 HD21 ASN 45 2HD2 ASN 45 -2.210 13.463 -11.291 359 HD22 ASN 45 1HD2 ASN 45 -1.893 15.146 -11.531 360 H VAL 46 H VAL 46 -2.361 9.887 -10.326 361 HA VAL 46 HA VAL 46 -2.611 8.359 -7.913 362 HB VAL 46 HB VAL 46 -2.456 6.378 -9.354 363 HG11 VAL 46 1HG1 VAL 46 -4.472 6.794 -10.682 364 HG12 VAL 46 2HG1 VAL 46 -4.274 8.527 -10.429 365 HG13 VAL 46 3HG1 VAL 46 -4.606 7.468 -9.058 366 HG21 VAL 46 3HG2 VAL 46 -2.002 8.344 -11.597 367 HG22 VAL 46 1HG2 VAL 46 -2.275 6.612 -11.783 368 HG23 VAL 46 2HG2 VAL 46 -0.821 7.194 -10.973 369 H ASN 47 H ASN 47 0.015 9.454 -9.899 370 HA ASN 47 HA ASN 47 1.950 7.618 -8.847 371 HB2 ASN 47 1HB ASN 47 2.224 8.813 -11.025 372 HB3 ASN 47 2HB ASN 47 2.412 10.320 -10.137 373 HD21 ASN 47 2HD2 ASN 47 4.324 10.746 -9.075 374 HD22 ASN 47 1HD2 ASN 47 5.740 9.760 -9.258 375 H GLU 48 H GLU 48 0.513 10.551 -7.810 376 HA GLU 48 HA GLU 48 2.596 11.248 -5.934 377 HB2 GLU 48 1HB GLU 48 1.339 13.016 -7.040 378 HB3 GLU 48 2HB GLU 48 -0.167 12.385 -6.391 379 HG2 GLU 48 1HG GLU 48 0.640 12.886 -4.118 380 HG3 GLU 48 2HG GLU 48 2.096 13.595 -4.820 381 H LEU 49 H LEU 49 -0.539 9.673 -5.901 382 HA LEU 49 HA LEU 49 -0.823 9.620 -3.068 383 HB2 LEU 49 1HB LEU 49 -2.074 7.885 -5.197 384 HB3 LEU 49 2HB LEU 49 -2.535 7.873 -3.506 385 HG LEU 49 HG LEU 49 -2.832 10.196 -5.409 386 HD11 LEU 49 1HD1 LEU 49 -5.229 9.792 -5.116 387 HD12 LEU 49 2HD1 LEU 49 -4.864 8.378 -4.125 388 HD13 LEU 49 3HD1 LEU 49 -4.414 8.400 -5.830 389 HD21 LEU 49 3HD2 LEU 49 -3.634 9.934 -2.512 390 HD22 LEU 49 1HD2 LEU 49 -4.018 11.290 -3.572 391 HD23 LEU 49 2HD2 LEU 49 -2.342 10.956 -3.140 392 H PHE 50 H PHE 50 0.129 8.337 -1.632 393 HA PHE 50 HA PHE 50 1.553 5.972 -2.650 394 HB2 PHE 50 1HB PHE 50 2.261 7.803 -0.357 395 HB3 PHE 50 2HB PHE 50 3.057 6.263 -0.656 396 HD1 PHE 50 HD1 PHE 50 3.922 6.009 -3.177 397 HD2 PHE 50 HD2 PHE 50 3.297 9.686 -1.129 398 HE1 PHE 50 HE1 PHE 50 5.519 7.116 -4.685 399 HE2 PHE 50 HE2 PHE 50 4.892 10.800 -2.633 400 HZ PHE 50 HZ PHE 50 6.004 9.515 -4.414 401 H ALA 51 H ALA 51 1.430 4.078 -1.552 402 HA ALA 51 HA ALA 51 -0.343 3.978 0.797 403 HB1 ALA 51 3HB ALA 51 0.492 1.751 -1.072 404 HB2 ALA 51 1HB ALA 51 -1.079 2.555 -1.061 405 HB3 ALA 51 2HB ALA 51 -0.577 1.582 0.322 406 H TYR 52 H TYR 52 0.631 3.580 2.719 407 HA TYR 52 HA TYR 52 3.429 2.678 2.574 408 HB2 TYR 52 1HB TYR 52 3.904 4.132 4.528 409 HB3 TYR 52 2HB TYR 52 3.439 5.030 3.089 410 HD1 TYR 52 HD2 TYR 52 2.429 4.014 6.466 411 HD2 TYR 52 HD1 TYR 52 1.371 6.285 3.027 412 HE1 TYR 52 HE2 TYR 52 0.706 5.180 7.771 413 HE2 TYR 52 HE1 TYR 52 -0.353 7.458 4.328 414 HH TYR 52 HH TYR 52 -1.670 7.182 6.303 415 H VAL 53 H VAL 53 4.271 1.638 4.422 416 HA VAL 53 HA VAL 53 2.234 0.401 6.146 417 HB VAL 53 HB VAL 53 4.053 -1.322 6.615 418 HG11 VAL 53 1HG1 VAL 53 3.582 -2.585 4.561 419 HG12 VAL 53 2HG1 VAL 53 2.962 -1.116 3.809 420 HG13 VAL 53 3HG1 VAL 53 2.133 -1.811 5.202 421 HG21 VAL 53 3HG2 VAL 53 5.964 -0.059 5.775 422 HG22 VAL 53 1HG2 VAL 53 5.273 -0.071 4.152 423 HG23 VAL 53 2HG2 VAL 53 5.792 -1.581 4.900 424 H ASP 54 H ASP 54 2.247 0.980 8.210 425 HA ASP 54 HA ASP 54 4.266 2.875 9.076 426 HB2 ASP 54 1HB ASP 54 1.780 3.216 9.425 427 HB3 ASP 54 2HB ASP 54 1.852 1.928 10.623 428 H LEU 55 H LEU 55 6.064 2.085 9.882 429 HA LEU 55 HA LEU 55 5.973 -0.404 11.441 430 HB2 LEU 55 1HB LEU 55 7.977 0.857 9.660 431 HB3 LEU 55 2HB LEU 55 8.602 -0.015 11.044 432 HG LEU 55 HG LEU 55 7.401 -2.041 10.288 433 HD11 LEU 55 1HD1 LEU 55 6.745 -0.392 7.853 434 HD12 LEU 55 2HD1 LEU 55 5.591 -0.995 9.044 435 HD13 LEU 55 3HD1 LEU 55 6.483 -2.128 8.028 436 HD21 LEU 55 3HD2 LEU 55 9.730 -1.698 9.691 437 HD22 LEU 55 1HD2 LEU 55 9.244 -0.809 8.248 438 HD23 LEU 55 2HD2 LEU 55 8.869 -2.527 8.396 439 H SER 56 H SER 56 5.225 2.138 12.616 440 HA SER 56 HA SER 56 7.336 3.170 14.182 441 HB2 SER 56 1HB SER 56 4.378 3.123 14.837 442 HB3 SER 56 2HB SER 56 5.588 4.188 15.554 443 HG SER 56 HG SER 56 4.420 4.241 13.010 444 H GLY 57 H GLY 57 8.531 1.933 15.459 445 HA2 GLY 57 1HA GLY 57 9.006 0.689 17.369 446 HA3 GLY 57 2HA GLY 57 7.282 0.441 17.604 447 H SER 58 H SER 58 9.444 -0.324 14.884 448 HA SER 58 HA SER 58 8.332 -3.028 14.893 449 HB2 SER 58 1HB SER 58 9.259 -3.156 12.586 450 HB3 SER 58 2HB SER 58 8.106 -1.838 12.792 451 HG SER 58 HG SER 58 10.912 -1.503 13.026 452 H GLU 59 H GLU 59 9.487 -4.464 15.995 453 HA GLU 59 HA GLU 59 12.358 -4.292 16.226 454 HB2 GLU 59 1HB GLU 59 10.925 -5.254 18.019 455 HB3 GLU 59 2HB GLU 59 10.493 -6.572 16.937 456 HG2 GLU 59 1HG GLU 59 12.859 -7.239 16.846 457 HG3 GLU 59 2HG GLU 59 13.246 -5.950 17.983 458 HA PRO 60 HA PRO 60 13.328 -5.935 12.246 459 HB2 PRO 60 1HB PRO 60 15.682 -7.228 13.069 460 HB3 PRO 60 2HB PRO 60 15.548 -5.579 12.458 461 HG2 PRO 60 1HG PRO 60 15.687 -6.554 15.269 462 HG3 PRO 60 2HG PRO 60 16.350 -5.072 14.556 463 HD2 PRO 60 1HD PRO 60 14.156 -5.005 16.079 464 HD3 PRO 60 2HD PRO 60 14.307 -3.967 14.644 465 H GLY 61 H GLY 61 11.793 -7.467 11.861 466 HA2 GLY 61 1HA GLY 61 12.617 -10.157 11.764 467 HA3 GLY 61 2HA GLY 61 11.487 -9.945 13.098 468 H GLU 62 H GLU 62 10.615 -11.608 11.248 469 HA GLU 62 HA GLU 62 9.161 -10.244 9.160 470 HB2 GLU 62 1HB GLU 62 10.031 -12.530 8.817 471 HB3 GLU 62 2HB GLU 62 8.985 -13.117 10.104 472 HG2 GLU 62 1HG GLU 62 7.023 -12.402 8.781 473 HG3 GLU 62 2HG GLU 62 8.113 -11.938 7.474 474 H HIS 63 H HIS 63 7.375 -9.127 9.592 475 HA HIS 63 HA HIS 63 5.428 -10.265 11.479 476 HB2 HIS 63 1HB HIS 63 6.334 -7.385 11.397 477 HB3 HIS 63 2HB HIS 63 4.868 -7.915 12.204 478 HD1 HIS 63 HD1 HIS 63 7.721 -6.668 13.319 479 HD2 HIS 63 HD2 HIS 63 6.104 -10.459 13.868 480 HE1 HIS 63 HE1 HIS 63 8.749 -7.540 15.442 481 HE2 HIS 63 HE2 HIS 63 7.615 -9.756 15.847 482 H ASP 64 H ASP 64 3.265 -9.451 11.181 483 HA ASP 64 HA ASP 64 2.692 -8.920 8.358 484 HB2 ASP 64 1HB ASP 64 1.657 -10.846 9.696 485 HB3 ASP 64 2HB ASP 64 0.736 -9.621 10.556 486 H TYR 65 H TYR 65 2.502 -6.805 7.847 487 HA TYR 65 HA TYR 65 1.689 -4.932 9.979 488 HB2 TYR 65 1HB TYR 65 3.506 -4.496 7.602 489 HB3 TYR 65 2HB TYR 65 2.958 -3.212 8.671 490 HD1 TYR 65 HD1 TYR 65 3.507 -3.531 11.203 491 HD2 TYR 65 HD2 TYR 65 5.494 -5.585 8.053 492 HE1 TYR 65 HE1 TYR 65 5.425 -3.935 12.688 493 HE2 TYR 65 HE2 TYR 65 7.415 -6.000 9.528 494 HH TYR 65 HH TYR 65 8.426 -5.000 11.558 495 H GLU 66 H GLU 66 0.429 -3.101 9.407 496 HA GLU 66 HA GLU 66 -1.630 -3.762 7.499 497 HB2 GLU 66 1HB GLU 66 -1.338 -1.225 9.110 498 HB3 GLU 66 2HB GLU 66 -2.799 -1.836 8.350 499 HG2 GLU 66 1HG GLU 66 -2.769 -3.753 9.887 500 HG3 GLU 66 2HG GLU 66 -1.343 -3.075 10.673 501 H VAL 67 H VAL 67 -2.021 -2.839 5.554 502 HA VAL 67 HA VAL 67 -0.083 -0.915 4.522 503 HB VAL 67 HB VAL 67 -2.375 -2.317 3.125 504 HG11 VAL 67 1HG1 VAL 67 -0.156 -0.619 1.989 505 HG12 VAL 67 2HG1 VAL 67 -1.861 -0.176 2.079 506 HG13 VAL 67 3HG1 VAL 67 -1.350 -1.515 1.050 507 HG21 VAL 67 3HG2 VAL 67 -0.618 -3.858 3.800 508 HG22 VAL 67 1HG2 VAL 67 0.595 -2.830 3.034 509 HG23 VAL 67 2HG2 VAL 67 -0.621 -3.645 2.049 510 H LYS 68 H LYS 68 -0.479 1.190 4.582 511 HA LYS 68 HA LYS 68 -3.260 2.066 5.012 512 HB2 LYS 68 1HB LYS 68 -0.716 3.334 6.052 513 HB3 LYS 68 2HB LYS 68 -2.354 3.901 6.359 514 HG2 LYS 68 1HG LYS 68 -2.859 2.039 7.707 515 HG3 LYS 68 2HG LYS 68 -1.438 1.155 7.152 516 HD2 LYS 68 1HD LYS 68 -0.005 2.851 8.246 517 HD3 LYS 68 2HD LYS 68 -1.460 3.629 8.876 518 HE2 LYS 68 1HE LYS 68 -0.745 0.749 9.408 519 HE3 LYS 68 2HE LYS 68 -0.292 2.075 10.476 520 HZ1 LYS 68 3HZ LYS 68 -3.115 1.651 9.710 521 HZ2 LYS 68 1HZ LYS 68 -2.485 2.463 11.058 522 HZ3 LYS 68 2HZ LYS 68 -2.420 0.766 10.983 523 H VAL 69 H VAL 69 -3.962 2.896 3.163 524 HA VAL 69 HA VAL 69 -2.172 4.342 1.380 525 HB VAL 69 HB VAL 69 -5.130 3.742 1.102 526 HG11 VAL 69 1HG1 VAL 69 -4.461 5.658 -0.241 527 HG12 VAL 69 2HG1 VAL 69 -4.825 4.269 -1.265 528 HG13 VAL 69 3HG1 VAL 69 -3.149 4.717 -0.951 529 HG21 VAL 69 3HG2 VAL 69 -4.456 1.989 -0.454 530 HG22 VAL 69 1HG2 VAL 69 -3.807 1.702 1.161 531 HG23 VAL 69 2HG2 VAL 69 -2.760 2.332 -0.111 532 H GLU 70 H GLU 70 -2.399 6.546 0.874 533 HA GLU 70 HA GLU 70 -3.499 8.314 2.764 534 HB2 GLU 70 1HB GLU 70 -2.694 8.659 -0.120 535 HB3 GLU 70 2HB GLU 70 -3.346 9.989 0.827 536 HG2 GLU 70 1HG GLU 70 -0.887 8.406 1.528 537 HG3 GLU 70 2HG GLU 70 -0.898 9.994 0.761 538 HA PRO 71 HA PRO 71 -7.814 7.539 2.006 539 HB2 PRO 71 1HB PRO 71 -8.027 10.233 3.267 540 HB3 PRO 71 2HB PRO 71 -8.874 8.733 3.663 541 HG2 PRO 71 1HG PRO 71 -6.889 9.598 5.199 542 HG3 PRO 71 2HG PRO 71 -7.068 7.870 4.842 543 HD2 PRO 71 1HD PRO 71 -5.138 9.850 3.713 544 HD3 PRO 71 2HD PRO 71 -4.895 8.138 4.117 545 H ILE 72 H ILE 72 -8.949 7.888 0.234 546 HA ILE 72 HA ILE 72 -8.308 10.203 -1.427 547 HB ILE 72 HB ILE 72 -9.969 7.765 -2.114 548 HG12 ILE 72 1HG1 ILE 72 -7.893 7.405 -3.678 549 HG13 ILE 72 2HG1 ILE 72 -7.064 8.408 -2.495 550 HG21 ILE 72 1HG2 ILE 72 -8.915 9.976 -3.869 551 HG22 ILE 72 2HG2 ILE 72 -10.600 9.710 -3.422 552 HG23 ILE 72 3HG2 ILE 72 -9.759 8.533 -4.429 553 HD11 ILE 72 3HD1 ILE 72 -8.473 5.809 -1.933 554 HD12 ILE 72 1HD1 ILE 72 -7.653 6.816 -0.740 555 HD13 ILE 72 2HD1 ILE 72 -6.729 6.054 -2.034 556 HA PRO 73 HA PRO 73 -12.236 11.903 -0.032 557 HB2 PRO 73 1HB PRO 73 -11.450 14.389 -1.229 558 HB3 PRO 73 2HB PRO 73 -11.497 13.978 0.485 559 HG2 PRO 73 1HG PRO 73 -9.192 14.468 -0.948 560 HG3 PRO 73 2HG PRO 73 -9.267 13.541 0.559 561 HD2 PRO 73 1HD PRO 73 -9.108 12.569 -2.262 562 HD3 PRO 73 2HD PRO 73 -8.348 11.914 -0.796 563 H ASN 74 H ASN 74 -14.124 12.469 -1.068 564 HA ASN 74 HA ASN 74 -15.637 12.907 -2.698 565 HB2 ASN 74 1HB ASN 74 -13.277 13.363 -4.535 566 HB3 ASN 74 2HB ASN 74 -14.954 13.761 -4.893 567 HD21 ASN 74 2HD2 ASN 74 -12.616 15.481 -4.771 568 HD22 ASN 74 1HD2 ASN 74 -12.964 16.700 -3.593 569 H ILE 75 H ILE 75 -12.961 10.835 -3.690 570 HA ILE 75 HA ILE 75 -14.777 9.168 -5.259 571 HB ILE 75 HB ILE 75 -11.828 8.752 -4.722 572 HG12 ILE 75 1HG1 ILE 75 -12.149 10.889 -5.854 573 HG13 ILE 75 2HG1 ILE 75 -11.463 9.716 -6.972 574 HG21 ILE 75 1HG2 ILE 75 -11.917 7.315 -6.706 575 HG22 ILE 75 2HG2 ILE 75 -13.655 7.594 -6.823 576 HG23 ILE 75 3HG2 ILE 75 -12.991 6.739 -5.431 577 HD11 ILE 75 3HD1 ILE 75 -13.668 9.376 -7.962 578 HD12 ILE 75 1HD1 ILE 75 -13.167 11.065 -8.046 579 HD13 ILE 75 2HD1 ILE 75 -14.349 10.554 -6.841 580 H LYS 76 H LYS 76 -15.500 7.190 -4.582 581 HA LYS 76 HA LYS 76 -15.167 6.597 -1.756 582 HB2 LYS 76 1HB LYS 76 -17.414 6.574 -2.719 583 HB3 LYS 76 2HB LYS 76 -16.925 5.339 -3.870 584 HG2 LYS 76 1HG LYS 76 -16.533 3.781 -2.026 585 HG3 LYS 76 2HG LYS 76 -17.046 5.022 -0.880 586 HD2 LYS 76 1HD LYS 76 -19.254 5.067 -1.874 587 HD3 LYS 76 2HD LYS 76 -18.750 3.901 -3.098 588 HE2 LYS 76 1HE LYS 76 -18.896 3.417 -0.123 589 HE3 LYS 76 2HE LYS 76 -20.025 2.810 -1.334 590 HZ1 LYS 76 3HZ LYS 76 -17.170 2.079 -1.015 591 HZ2 LYS 76 1HZ LYS 76 -18.099 1.636 -2.364 592 HZ3 LYS 76 2HZ LYS 76 -18.514 1.075 -0.818 593 H ILE 77 H ILE 77 -13.655 5.215 -1.057 594 HA ILE 77 HA ILE 77 -12.217 3.606 -2.975 595 HB ILE 77 HB ILE 77 -10.962 4.776 -1.230 596 HG12 ILE 77 1HG1 ILE 77 -10.810 1.765 -0.942 597 HG13 ILE 77 2HG1 ILE 77 -10.029 2.716 -2.202 598 HG21 ILE 77 1HG2 ILE 77 -11.036 4.039 1.103 599 HG22 ILE 77 2HG2 ILE 77 -12.372 2.955 0.713 600 HG23 ILE 77 3HG2 ILE 77 -12.583 4.700 0.574 601 HD11 ILE 77 3HD1 ILE 77 -9.447 2.868 0.746 602 HD12 ILE 77 1HD1 ILE 77 -8.669 3.833 -0.508 603 HD13 ILE 77 2HD1 ILE 77 -8.450 2.083 -0.479 604 H VAL 78 H VAL 78 -12.614 1.584 -3.463 605 HA VAL 78 HA VAL 78 -14.608 0.062 -1.991 606 HB VAL 78 HB VAL 78 -12.997 -0.806 -4.394 607 HG11 VAL 78 1HG1 VAL 78 -15.613 -1.804 -3.288 608 HG12 VAL 78 2HG1 VAL 78 -14.056 -2.624 -3.185 609 HG13 VAL 78 3HG1 VAL 78 -14.822 -2.384 -4.754 610 HG21 VAL 78 3HG2 VAL 78 -14.211 1.243 -4.921 611 HG22 VAL 78 1HG2 VAL 78 -15.710 0.493 -4.372 612 HG23 VAL 78 2HG2 VAL 78 -14.869 -0.147 -5.786 613 H GLU 79 H GLU 79 -11.312 -0.522 -3.182 614 HA GLU 79 HA GLU 79 -10.928 -2.379 -0.937 615 HB2 GLU 79 1HB GLU 79 -9.949 -2.628 -3.776 616 HB3 GLU 79 2HB GLU 79 -9.338 -3.609 -2.453 617 HG2 GLU 79 1HG GLU 79 -11.763 -4.300 -2.080 618 HG3 GLU 79 2HG GLU 79 -12.070 -3.603 -3.673 619 H ILE 80 H ILE 80 -8.902 -2.539 -0.066 620 HA ILE 80 HA ILE 80 -6.897 -0.559 -0.900 621 HB ILE 80 HB ILE 80 -8.007 0.129 1.215 622 HG12 ILE 80 1HG1 ILE 80 -5.149 -0.773 1.634 623 HG13 ILE 80 2HG1 ILE 80 -5.638 0.714 0.827 624 HG21 ILE 80 1HG2 ILE 80 -7.655 -1.194 3.257 625 HG22 ILE 80 2HG2 ILE 80 -6.952 -2.481 2.277 626 HG23 ILE 80 3HG2 ILE 80 -8.644 -2.033 2.062 627 HD11 ILE 80 3HD1 ILE 80 -6.138 0.011 3.711 628 HD12 ILE 80 1HD1 ILE 80 -6.658 1.493 2.910 629 HD13 ILE 80 2HD1 ILE 80 -4.938 1.152 3.100 630 H SER 81 H SER 81 -7.556 -3.431 -1.402 631 HA SER 81 HA SER 81 -5.847 -5.159 0.005 632 HB2 SER 81 1HB SER 81 -6.970 -5.511 -2.783 633 HB3 SER 81 2HB SER 81 -6.436 -6.788 -1.690 634 HG SER 81 HG SER 81 -8.846 -5.995 -1.891 635 HA PRO 82 HA PRO 82 -4.520 -6.718 0.088 636 HB2 PRO 82 1HB PRO 82 -1.772 -6.478 0.982 637 HB3 PRO 82 2HB PRO 82 -2.579 -7.870 0.261 638 HG2 PRO 82 1HG PRO 82 -0.618 -6.460 -0.998 639 HG3 PRO 82 2HG PRO 82 -1.899 -7.333 -1.857 640 HD2 PRO 82 1HD PRO 82 -1.675 -4.409 -1.249 641 HD3 PRO 82 2HD PRO 82 -2.232 -5.212 -2.733 642 H ARG 83 H ARG 83 -5.254 -6.283 2.078 643 HA ARG 83 HA ARG 83 -5.078 -3.616 3.087 644 HB2 ARG 83 1HB ARG 83 -6.255 -6.118 4.312 645 HB3 ARG 83 2HB ARG 83 -6.490 -4.487 4.924 646 HG2 ARG 83 1HG ARG 83 -7.685 -3.853 2.947 647 HG3 ARG 83 2HG ARG 83 -7.321 -5.402 2.183 648 HD2 ARG 83 1HD ARG 83 -8.871 -5.145 4.748 649 HD3 ARG 83 2HD ARG 83 -9.630 -5.177 3.157 650 HE ARG 83 HE ARG 83 -8.363 -7.409 2.946 651 HH11 ARG 83 1HH1 ARG 83 -9.635 -6.133 5.941 652 HH12 ARG 83 2HH1 ARG 83 -10.060 -7.692 6.584 653 HH21 ARG 83 1HH2 ARG 83 -8.892 -9.472 3.785 654 HH22 ARG 83 2HH2 ARG 83 -9.627 -9.595 5.363 655 H VAL 84 H VAL 84 -3.722 -6.721 3.959 656 HA VAL 84 HA VAL 84 -1.816 -5.365 5.741 657 HB VAL 84 HB VAL 84 -3.007 -8.065 6.400 658 HG11 VAL 84 1HG1 VAL 84 -1.416 -6.103 8.042 659 HG12 VAL 84 2HG1 VAL 84 -0.817 -7.611 7.351 660 HG13 VAL 84 3HG1 VAL 84 -2.051 -7.648 8.609 661 HG21 VAL 84 3HG2 VAL 84 -3.819 -5.390 7.532 662 HG22 VAL 84 1HG2 VAL 84 -4.351 -6.963 8.126 663 HG23 VAL 84 2HG2 VAL 84 -4.808 -6.431 6.507 664 H VAL 85 H VAL 85 0.271 -6.089 5.510 665 HA VAL 85 HA VAL 85 0.689 -8.418 3.757 666 HB VAL 85 HB VAL 85 2.627 -7.252 2.721 667 HG11 VAL 85 1HG1 VAL 85 -0.039 -5.898 2.339 668 HG12 VAL 85 2HG1 VAL 85 0.502 -7.378 1.548 669 HG13 VAL 85 3HG1 VAL 85 1.313 -5.849 1.207 670 HG21 VAL 85 3HG2 VAL 85 3.046 -5.586 4.444 671 HG22 VAL 85 1HG2 VAL 85 1.498 -4.814 4.095 672 HG23 VAL 85 2HG2 VAL 85 2.780 -4.811 2.884 673 H THR 86 H THR 86 2.416 -9.707 4.226 674 HA THR 86 HA THR 86 3.591 -9.306 6.855 675 HB THR 86 HB THR 86 3.953 -11.670 5.007 676 HG1 THR 86 HG1 THR 86 1.812 -10.889 6.648 677 HG21 THR 86 3HG2 THR 86 5.564 -11.532 6.844 678 HG22 THR 86 1HG2 THR 86 4.443 -12.871 7.095 679 HG23 THR 86 2HG2 THR 86 4.243 -11.371 8.002 680 H LEU 87 H LEU 87 5.372 -8.123 6.952 681 HA LEU 87 HA LEU 87 7.175 -8.069 4.639 682 HB2 LEU 87 1HB LEU 87 6.960 -6.201 7.000 683 HB3 LEU 87 2HB LEU 87 8.111 -6.032 5.689 684 HG LEU 87 HG LEU 87 5.108 -5.866 5.416 685 HD11 LEU 87 1HD1 LEU 87 7.226 -3.725 5.297 686 HD12 LEU 87 2HD1 LEU 87 6.046 -3.951 6.588 687 HD13 LEU 87 3HD1 LEU 87 5.508 -3.498 4.970 688 HD21 LEU 87 3HD2 LEU 87 7.297 -5.426 3.386 689 HD22 LEU 87 1HD2 LEU 87 5.578 -5.134 3.128 690 HD23 LEU 87 2HD2 LEU 87 6.160 -6.774 3.412 691 H GLN 88 H GLN 88 9.030 -9.089 4.711 692 HA GLN 88 HA GLN 88 9.960 -10.259 7.193 693 HB2 GLN 88 1HB GLN 88 11.127 -10.398 4.404 694 HB3 GLN 88 2HB GLN 88 11.631 -11.372 5.780 695 HG2 GLN 88 1HG GLN 88 9.447 -12.422 5.864 696 HG3 GLN 88 2HG GLN 88 8.896 -11.417 4.526 697 HE21 GLN 88 2HE2 GLN 88 9.064 -14.315 4.790 698 HE22 GLN 88 1HE2 GLN 88 10.037 -14.859 3.461 699 H LEU 89 H LEU 89 10.794 -8.691 8.479 700 HA LEU 89 HA LEU 89 12.820 -6.893 7.379 701 HB2 LEU 89 1HB LEU 89 11.594 -7.044 10.132 702 HB3 LEU 89 2HB LEU 89 12.769 -5.850 9.623 703 HG LEU 89 HG LEU 89 10.026 -6.156 8.412 704 HD11 LEU 89 1HD1 LEU 89 9.458 -4.139 9.668 705 HD12 LEU 89 2HD1 LEU 89 11.039 -4.176 10.448 706 HD13 LEU 89 3HD1 LEU 89 9.877 -5.469 10.746 707 HD21 LEU 89 3HD2 LEU 89 12.114 -3.999 8.150 708 HD22 LEU 89 1HD2 LEU 89 10.499 -3.964 7.443 709 HD23 LEU 89 2HD2 LEU 89 11.669 -5.169 6.909 710 H GLU 90 H GLU 90 14.946 -7.043 7.874 711 HA GLU 90 HA GLU 90 15.692 -9.135 9.810 712 HB2 GLU 90 1HB GLU 90 16.363 -9.488 7.331 713 HB3 GLU 90 2HB GLU 90 17.545 -8.214 7.618 714 HG2 GLU 90 1HG GLU 90 18.429 -9.554 9.518 715 HG3 GLU 90 2HG GLU 90 17.336 -10.851 9.051 716 H HIS 91 H HIS 91 18.133 -8.617 10.496 717 HA HIS 91 HA HIS 91 17.867 -6.130 11.950 718 HB2 HIS 91 1HB HIS 91 19.992 -8.292 12.047 719 HB3 HIS 91 2HB HIS 91 19.924 -6.905 13.127 720 HD1 HIS 91 HD1 HIS 91 18.880 -7.413 15.310 721 HD2 HIS 91 HD2 HIS 91 17.417 -9.869 12.285 722 HE1 HIS 91 HE1 HIS 91 17.285 -9.001 16.430 723 HE2 HIS 91 HE2 HIS 91 16.282 -10.359 14.555 724 H HIS 92 H HIS 92 19.448 -4.453 11.934 725 HA HIS 92 HA HIS 92 20.647 -4.050 9.334 726 HB2 HIS 92 1HB HIS 92 21.121 -1.825 10.012 727 HB3 HIS 92 2HB HIS 92 19.553 -2.211 10.702 728 HD1 HIS 92 HD1 HIS 92 22.657 -0.674 11.545 729 HD2 HIS 92 HD2 HIS 92 19.889 -3.006 13.599 730 HE1 HIS 92 HE1 HIS 92 23.092 -0.256 13.988 731 HE2 HIS 92 HE2 HIS 92 21.256 -1.487 15.193 732 H HIS 93 H HIS 93 21.542 -6.128 11.299 733 HA HIS 93 HA HIS 93 24.306 -5.447 11.854 734 HB2 HIS 93 1HB HIS 93 22.813 -6.814 13.388 735 HB3 HIS 93 2HB HIS 93 22.886 -8.101 12.196 736 HD1 HIS 93 HD1 HIS 93 24.366 -7.128 15.253 737 HD2 HIS 93 HD2 HIS 93 25.818 -8.835 11.748 738 HE1 HIS 93 HE1 HIS 93 26.518 -8.252 15.884 739 HE2 HIS 93 HE2 HIS 93 27.218 -9.498 13.816 740 H HIS 94 H HIS 94 22.416 -6.922 9.398 741 HA HIS 94 HA HIS 94 24.853 -7.835 8.025 742 HB2 HIS 94 1HB HIS 94 22.299 -9.354 8.471 743 HB3 HIS 94 2HB HIS 94 23.301 -9.687 7.064 744 HD1 HIS 94 HD1 HIS 94 25.506 -10.931 7.446 745 HD2 HIS 94 HD2 HIS 94 23.362 -10.198 10.930 746 HE1 HIS 94 HE1 HIS 94 26.589 -12.348 9.217 747 HE2 HIS 94 HE2 HIS 94 25.227 -11.957 11.302 748 H HIS 95 H HIS 95 23.904 -8.643 5.686 749 HA HIS 95 HA HIS 95 21.748 -7.101 4.635 750 HB2 HIS 95 1HB HIS 95 23.598 -5.388 4.669 751 HB3 HIS 95 2HB HIS 95 24.506 -6.427 3.573 752 HD1 HIS 95 HD1 HIS 95 21.969 -3.801 3.647 753 HD2 HIS 95 HD2 HIS 95 23.188 -6.749 0.976 754 HE1 HIS 95 HE1 HIS 95 20.991 -3.153 1.421 755 HE2 HIS 95 HE2 HIS 95 21.558 -5.064 -0.121 756 H HIS 96 H HIS 96 20.847 -8.721 3.531 757 HA HIS 96 HA HIS 96 22.584 -10.674 2.228 758 HB2 HIS 96 1HB HIS 96 20.844 -11.513 3.751 759 HB3 HIS 96 2HB HIS 96 19.607 -10.754 2.757 760 HD1 HIS 96 HD1 HIS 96 22.507 -13.093 1.903 761 HD2 HIS 96 HD2 HIS 96 18.403 -12.697 1.348 762 HE1 HIS 96 HE1 HIS 96 21.810 -15.076 0.517 763 HE2 HIS 96 HE2 HIS 96 19.300 -14.907 0.353 Start of MODEL 6 1 H1 SER 1 1H SER 1 -16.305 5.272 -22.365 2 H2 SER 1 2H SER 1 -15.526 4.467 -21.089 3 H3 SER 1 3H SER 1 -16.141 6.025 -20.857 4 HA SER 1 HA SER 1 -17.561 4.341 -19.849 5 HB2 SER 1 1HB SER 1 -18.771 5.748 -22.246 6 HB3 SER 1 2HB SER 1 -19.655 5.168 -20.832 7 HG SER 1 HG SER 1 -18.858 6.760 -19.633 8 H SER 2 H SER 2 -15.926 2.865 -21.782 9 HA SER 2 HA SER 2 -17.881 1.417 -23.396 10 HB2 SER 2 1HB SER 2 -15.811 0.402 -24.431 11 HB3 SER 2 2HB SER 2 -15.965 2.147 -24.627 12 HG SER 2 HG SER 2 -14.589 2.208 -22.612 13 H GLN 3 H GLN 3 -15.037 0.473 -21.446 14 HA GLN 3 HA GLN 3 -16.091 -2.217 -21.190 15 HB2 GLN 3 1HB GLN 3 -13.561 -1.001 -20.074 16 HB3 GLN 3 2HB GLN 3 -13.942 -2.714 -20.158 17 HG2 GLN 3 1HG GLN 3 -13.824 -2.693 -22.540 18 HG3 GLN 3 2HG GLN 3 -13.672 -0.936 -22.564 19 HE21 GLN 3 2HE2 GLN 3 -11.908 -3.022 -23.619 20 HE22 GLN 3 1HE2 GLN 3 -10.360 -2.732 -22.896 21 H THR 4 H THR 4 -15.457 -3.180 -18.862 22 HA THR 4 HA THR 4 -17.191 -1.960 -16.951 23 HB THR 4 HB THR 4 -15.110 -4.051 -16.312 24 HG1 THR 4 HG1 THR 4 -16.117 -5.426 -17.555 25 HG21 THR 4 3HG2 THR 4 -16.811 -4.823 -14.723 26 HG22 THR 4 1HG2 THR 4 -17.896 -3.539 -15.259 27 HG23 THR 4 2HG2 THR 4 -16.388 -3.134 -14.440 28 H LEU 5 H LEU 5 -13.774 -2.000 -17.615 29 HA LEU 5 HA LEU 5 -12.827 -0.924 -15.183 30 HB2 LEU 5 1HB LEU 5 -11.602 -0.672 -17.931 31 HB3 LEU 5 2HB LEU 5 -10.773 -0.468 -16.400 32 HG LEU 5 HG LEU 5 -11.947 -3.050 -17.437 33 HD11 LEU 5 1HD1 LEU 5 -9.617 -3.762 -17.623 34 HD12 LEU 5 2HD1 LEU 5 -9.085 -2.156 -17.129 35 HD13 LEU 5 3HD1 LEU 5 -9.951 -2.368 -18.650 36 HD21 LEU 5 3HD2 LEU 5 -12.070 -2.913 -15.006 37 HD22 LEU 5 1HD2 LEU 5 -10.361 -2.484 -14.933 38 HD23 LEU 5 2HD2 LEU 5 -10.847 -4.080 -15.510 39 H ASP 6 H ASP 6 -14.459 0.483 -17.840 40 HA ASP 6 HA ASP 6 -13.573 3.176 -17.499 41 HB2 ASP 6 1HB ASP 6 -16.093 2.064 -18.762 42 HB3 ASP 6 2HB ASP 6 -15.594 3.747 -18.848 43 H ARG 7 H ARG 7 -15.934 1.138 -16.029 44 HA ARG 7 HA ARG 7 -17.204 3.392 -14.638 45 HB2 ARG 7 1HB ARG 7 -18.558 1.635 -15.906 46 HB3 ARG 7 2HB ARG 7 -18.078 0.501 -14.654 47 HG2 ARG 7 1HG ARG 7 -19.125 2.035 -12.980 48 HG3 ARG 7 2HG ARG 7 -19.756 2.974 -14.335 49 HD2 ARG 7 1HD ARG 7 -20.372 0.120 -13.606 50 HD3 ARG 7 2HD ARG 7 -21.483 1.488 -13.667 51 HE ARG 7 HE ARG 7 -20.268 0.197 -16.023 52 HH11 ARG 7 1HH1 ARG 7 -22.821 2.072 -14.535 53 HH12 ARG 7 2HH1 ARG 7 -23.845 2.020 -15.941 54 HH21 ARG 7 1HH2 ARG 7 -21.605 0.139 -17.876 55 HH22 ARG 7 2HH2 ARG 7 -23.144 0.931 -17.846 56 H ASP 8 H ASP 8 -14.872 1.019 -14.266 57 HA ASP 8 HA ASP 8 -14.878 1.315 -11.359 58 HB2 ASP 8 1HB ASP 8 -16.070 -0.788 -11.848 59 HB3 ASP 8 2HB ASP 8 -14.687 -1.352 -12.781 60 HA PRO 9 HA PRO 9 -10.619 1.789 -12.910 61 HB2 PRO 9 1HB PRO 9 -10.296 3.823 -10.888 62 HB3 PRO 9 2HB PRO 9 -10.316 4.013 -12.642 63 HG2 PRO 9 1HG PRO 9 -12.272 4.975 -10.983 64 HG3 PRO 9 2HG PRO 9 -12.537 4.553 -12.684 65 HD2 PRO 9 1HD PRO 9 -13.158 2.974 -10.217 66 HD3 PRO 9 2HD PRO 9 -14.123 3.178 -11.697 67 H THR 10 H THR 10 -9.052 0.522 -12.174 68 HA THR 10 HA THR 10 -8.909 -0.052 -9.293 69 HB THR 10 HB THR 10 -7.469 -1.559 -11.476 70 HG1 THR 10 HG1 THR 10 -10.155 -1.543 -10.833 71 HG21 THR 10 3HG2 THR 10 -7.470 -3.365 -9.821 72 HG22 THR 10 1HG2 THR 10 -8.338 -2.327 -8.687 73 HG23 THR 10 2HG2 THR 10 -6.696 -1.916 -9.178 74 H LEU 11 H LEU 11 -7.477 1.179 -8.249 75 HA LEU 11 HA LEU 11 -5.327 2.454 -9.766 76 HB2 LEU 11 1HB LEU 11 -6.866 3.819 -8.381 77 HB3 LEU 11 2HB LEU 11 -6.298 2.976 -6.955 78 HG LEU 11 HG LEU 11 -4.043 3.893 -7.310 79 HD11 LEU 11 1HD1 LEU 11 -5.327 5.392 -9.592 80 HD12 LEU 11 2HD1 LEU 11 -4.111 4.123 -9.736 81 HD13 LEU 11 3HD1 LEU 11 -3.697 5.657 -8.969 82 HD21 LEU 11 3HD2 LEU 11 -5.629 5.073 -5.880 83 HD22 LEU 11 1HD2 LEU 11 -6.233 5.967 -7.276 84 HD23 LEU 11 2HD2 LEU 11 -4.575 6.206 -6.726 85 H THR 12 H THR 12 -3.189 2.075 -9.404 86 HA THR 12 HA THR 12 -2.531 0.079 -7.339 87 HB THR 12 HB THR 12 -1.043 0.493 -9.938 88 HG1 THR 12 HG1 THR 12 -3.418 -0.488 -9.711 89 HG21 THR 12 3HG2 THR 12 0.260 -0.547 -8.133 90 HG22 THR 12 1HG2 THR 12 -0.082 -1.704 -9.419 91 HG23 THR 12 2HG2 THR 12 -1.004 -1.757 -7.916 92 H LEU 13 H LEU 13 -1.507 1.024 -5.711 93 HA LEU 13 HA LEU 13 0.203 3.359 -6.273 94 HB2 LEU 13 1HB LEU 13 -1.262 2.650 -3.730 95 HB3 LEU 13 2HB LEU 13 -0.276 4.079 -3.980 96 HG LEU 13 HG LEU 13 -2.875 3.433 -5.370 97 HD11 LEU 13 1HD1 LEU 13 -2.150 5.574 -3.373 98 HD12 LEU 13 2HD1 LEU 13 -3.161 4.162 -3.067 99 HD13 LEU 13 3HD1 LEU 13 -3.705 5.409 -4.189 100 HD21 LEU 13 3HD2 LEU 13 -1.344 4.548 -6.889 101 HD22 LEU 13 1HD2 LEU 13 -1.035 5.800 -5.685 102 HD23 LEU 13 2HD2 LEU 13 -2.640 5.642 -6.402 103 H SER 14 H SER 14 2.216 3.502 -5.334 104 HA SER 14 HA SER 14 3.459 1.014 -4.665 105 HB2 SER 14 1HB SER 14 4.562 3.832 -4.610 106 HB3 SER 14 2HB SER 14 5.517 2.354 -4.487 107 HG SER 14 HG SER 14 3.780 2.718 -6.678 108 H LEU 15 H LEU 15 4.393 0.404 -2.722 109 HA LEU 15 HA LEU 15 3.168 1.571 -0.354 110 HB2 LEU 15 1HB LEU 15 3.193 -0.889 -0.733 111 HB3 LEU 15 2HB LEU 15 4.942 -0.859 -0.642 112 HG LEU 15 HG LEU 15 4.757 -0.039 1.706 113 HD11 LEU 15 1HD1 LEU 15 2.613 -0.233 2.847 114 HD12 LEU 15 2HD1 LEU 15 1.828 -0.647 1.323 115 HD13 LEU 15 3HD1 LEU 15 2.532 0.956 1.547 116 HD21 LEU 15 3HD2 LEU 15 5.121 -2.401 1.217 117 HD22 LEU 15 1HD2 LEU 15 3.379 -2.655 1.100 118 HD23 LEU 15 2HD2 LEU 15 4.103 -2.203 2.644 119 H ILE 16 H ILE 16 4.228 2.782 1.111 120 HA ILE 16 HA ILE 16 7.134 3.105 0.752 121 HB ILE 16 HB ILE 16 6.948 5.318 1.758 122 HG12 ILE 16 1HG1 ILE 16 3.954 4.883 1.759 123 HG13 ILE 16 2HG1 ILE 16 4.968 4.800 3.195 124 HG21 ILE 16 1HG2 ILE 16 6.755 5.141 -0.654 125 HG22 ILE 16 2HG2 ILE 16 5.736 6.449 -0.050 126 HG23 ILE 16 3HG2 ILE 16 5.011 4.910 -0.516 127 HD11 ILE 16 3HD1 ILE 16 3.853 6.935 3.067 128 HD12 ILE 16 1HD1 ILE 16 4.527 7.221 1.461 129 HD13 ILE 16 2HD1 ILE 16 5.592 7.150 2.864 130 H ALA 17 H ALA 17 8.428 3.373 2.639 131 HA ALA 17 HA ALA 17 7.488 1.707 4.840 132 HB1 ALA 17 3HB ALA 17 9.679 1.239 3.858 133 HB2 ALA 17 1HB ALA 17 9.822 1.687 5.558 134 HB3 ALA 17 2HB ALA 17 10.226 2.857 4.301 135 H LYS 18 H LYS 18 6.353 2.752 6.368 136 HA LYS 18 HA LYS 18 6.976 5.551 6.894 137 HB2 LYS 18 1HB LYS 18 4.636 4.898 6.441 138 HB3 LYS 18 2HB LYS 18 4.660 3.877 7.873 139 HG2 LYS 18 1HG LYS 18 5.010 5.827 9.279 140 HG3 LYS 18 2HG LYS 18 5.039 6.864 7.851 141 HD2 LYS 18 1HD LYS 18 2.743 6.260 7.340 142 HD3 LYS 18 2HD LYS 18 2.707 5.157 8.718 143 HE2 LYS 18 1HE LYS 18 3.083 8.146 8.834 144 HE3 LYS 18 2HE LYS 18 1.612 7.269 9.255 145 HZ1 LYS 18 3HZ LYS 18 4.207 7.299 10.681 146 HZ2 LYS 18 1HZ LYS 18 3.070 6.060 10.936 147 HZ3 LYS 18 2HZ LYS 18 2.666 7.669 11.276 148 H ASN 19 H ASN 19 8.582 5.776 8.256 149 HA ASN 19 HA ASN 19 9.761 5.853 10.181 150 HB2 ASN 19 1HB ASN 19 7.466 6.626 10.952 151 HB3 ASN 19 2HB ASN 19 7.227 5.000 11.579 152 HD21 ASN 19 2HD2 ASN 19 7.291 7.504 13.009 153 HD22 ASN 19 1HD2 ASN 19 8.574 7.384 14.166 154 H THR 20 H THR 20 10.913 3.936 9.348 155 HA THR 20 HA THR 20 10.506 1.627 11.127 156 HB THR 20 HB THR 20 10.610 1.128 8.686 157 HG1 THR 20 HG1 THR 20 11.313 -0.420 10.270 158 HG21 THR 20 3HG2 THR 20 12.195 2.837 7.975 159 HG22 THR 20 1HG2 THR 20 12.774 1.231 7.530 160 HG23 THR 20 2HG2 THR 20 13.470 2.066 8.918 161 HA PRO 21 HA PRO 21 13.963 2.943 13.593 162 HB2 PRO 21 1HB PRO 21 14.454 0.058 14.032 163 HB3 PRO 21 2HB PRO 21 14.123 1.335 15.206 164 HG2 PRO 21 1HG PRO 21 12.278 -0.495 14.614 165 HG3 PRO 21 2HG PRO 21 11.832 1.196 14.911 166 HD2 PRO 21 1HD PRO 21 12.108 -0.261 12.310 167 HD3 PRO 21 2HD PRO 21 10.874 0.910 12.819 168 H ALA 22 H ALA 22 16.297 2.522 13.882 169 HA ALA 22 HA ALA 22 17.557 2.083 11.300 170 HB1 ALA 22 3HB ALA 22 19.579 2.922 12.385 171 HB2 ALA 22 1HB ALA 22 18.752 2.922 13.941 172 HB3 ALA 22 2HB ALA 22 18.217 4.008 12.658 173 H ASN 23 H ASN 23 16.497 0.034 13.472 174 HA ASN 23 HA ASN 23 18.878 -1.692 13.513 175 HB2 ASN 23 1HB ASN 23 16.361 -1.848 15.191 176 HB3 ASN 23 2HB ASN 23 17.769 -2.894 15.348 177 HD21 ASN 23 2HD2 ASN 23 19.631 -2.107 16.294 178 HD22 ASN 23 1HD2 ASN 23 19.656 -0.624 17.195 179 H SER 24 H SER 24 16.106 -1.185 11.815 180 HA SER 24 HA SER 24 15.768 -4.033 11.195 181 HB2 SER 24 1HB SER 24 13.404 -3.252 10.486 182 HB3 SER 24 2HB SER 24 13.748 -3.407 12.210 183 HG SER 24 HG SER 24 13.553 -1.064 10.638 184 H MET 25 H MET 25 16.116 -4.620 9.183 185 HA MET 25 HA MET 25 16.315 -2.535 7.109 186 HB2 MET 25 1HB MET 25 18.477 -3.497 7.576 187 HB3 MET 25 2HB MET 25 17.831 -5.126 7.450 188 HG2 MET 25 1HG MET 25 17.464 -4.847 5.086 189 HG3 MET 25 2HG MET 25 17.969 -3.161 5.177 190 HE1 MET 25 3HE MET 25 19.586 -6.195 7.089 191 HE2 MET 25 1HE MET 25 20.829 -6.707 5.946 192 HE3 MET 25 2HE MET 25 19.123 -6.906 5.543 193 H ILE 26 H ILE 26 15.094 -2.791 5.294 194 HA ILE 26 HA ILE 26 13.125 -4.940 5.419 195 HB ILE 26 HB ILE 26 13.159 -2.707 3.399 196 HG12 ILE 26 1HG1 ILE 26 11.880 -2.624 6.142 197 HG13 ILE 26 2HG1 ILE 26 13.362 -1.775 5.715 198 HG21 ILE 26 1HG2 ILE 26 10.733 -3.071 3.427 199 HG22 ILE 26 2HG2 ILE 26 10.946 -4.352 4.620 200 HG23 ILE 26 3HG2 ILE 26 11.610 -4.539 2.997 201 HD11 ILE 26 3HD1 ILE 26 11.450 -0.287 5.670 202 HD12 ILE 26 1HD1 ILE 26 10.650 -1.325 4.492 203 HD13 ILE 26 2HD1 ILE 26 12.132 -0.475 4.054 204 H MET 27 H MET 27 13.882 -6.794 4.544 205 HA MET 27 HA MET 27 15.593 -6.816 2.240 206 HB2 MET 27 1HB MET 27 14.147 -9.015 3.719 207 HB3 MET 27 2HB MET 27 15.147 -9.312 2.304 208 HG2 MET 27 1HG MET 27 17.062 -8.305 3.505 209 HG3 MET 27 2HG MET 27 16.040 -8.160 4.935 210 HE1 MET 27 3HE MET 27 17.716 -10.646 2.389 211 HE2 MET 27 1HE MET 27 16.012 -11.099 2.310 212 HE3 MET 27 2HE MET 27 17.188 -12.205 3.020 213 H THR 28 H THR 28 12.183 -7.387 2.874 214 HA THR 28 HA THR 28 11.522 -8.139 0.213 215 HB THR 28 HB THR 28 9.645 -6.913 2.236 216 HG1 THR 28 HG1 THR 28 10.880 -9.445 2.150 217 HG21 THR 28 3HG2 THR 28 7.986 -8.347 1.137 218 HG22 THR 28 1HG2 THR 28 9.225 -8.934 0.028 219 HG23 THR 28 2HG2 THR 28 8.736 -7.241 -0.015 220 H LYS 29 H LYS 29 11.526 -6.839 -1.504 221 HA LYS 29 HA LYS 29 11.664 -3.996 -1.262 222 HB2 LYS 29 1HB LYS 29 11.083 -5.667 -3.718 223 HB3 LYS 29 2HB LYS 29 11.579 -3.978 -3.701 224 HG2 LYS 29 1HG LYS 29 13.712 -4.629 -2.679 225 HG3 LYS 29 2HG LYS 29 13.215 -6.320 -2.750 226 HD2 LYS 29 1HD LYS 29 12.998 -6.074 -5.224 227 HD3 LYS 29 2HD LYS 29 13.691 -4.457 -5.070 228 HE2 LYS 29 1HE LYS 29 15.697 -5.436 -4.040 229 HE3 LYS 29 2HE LYS 29 15.006 -7.043 -4.251 230 HZ1 LYS 29 3HZ LYS 29 16.536 -6.601 -6.014 231 HZ2 LYS 29 1HZ LYS 29 15.766 -5.142 -6.399 232 HZ3 LYS 29 2HZ LYS 29 14.972 -6.616 -6.667 233 H LEU 30 H LEU 30 10.048 -2.657 -0.963 234 HA LEU 30 HA LEU 30 7.480 -3.504 -0.378 235 HB2 LEU 30 1HB LEU 30 8.357 -0.740 -1.206 236 HB3 LEU 30 2HB LEU 30 6.870 -1.132 -0.363 237 HG LEU 30 HG LEU 30 9.667 -1.489 0.723 238 HD11 LEU 30 1HD1 LEU 30 9.053 0.283 2.272 239 HD12 LEU 30 2HD1 LEU 30 7.486 0.445 1.482 240 HD13 LEU 30 3HD1 LEU 30 8.962 0.845 0.602 241 HD21 LEU 30 3HD2 LEU 30 8.553 -2.058 2.829 242 HD22 LEU 30 1HD2 LEU 30 8.173 -3.218 1.557 243 HD23 LEU 30 2HD2 LEU 30 6.990 -1.994 2.016 244 HA PRO 31 HA PRO 31 5.925 -4.012 -4.523 245 HB2 PRO 31 1HB PRO 31 3.608 -5.187 -3.842 246 HB3 PRO 31 2HB PRO 31 5.152 -6.039 -3.715 247 HG2 PRO 31 1HG PRO 31 3.545 -4.700 -1.575 248 HG3 PRO 31 2HG PRO 31 4.389 -6.260 -1.533 249 HD2 PRO 31 1HD PRO 31 5.405 -3.952 -0.467 250 HD3 PRO 31 2HD PRO 31 6.409 -5.291 -1.056 251 H SER 32 H SER 32 3.254 -3.860 -5.122 252 HA SER 32 HA SER 32 2.541 -1.117 -4.333 253 HB2 SER 32 1HB SER 32 2.189 -2.359 -7.071 254 HB3 SER 32 2HB SER 32 1.764 -0.710 -6.608 255 HG SER 32 HG SER 32 4.379 -1.530 -6.115 256 H VAL 33 H VAL 33 0.472 -0.772 -3.756 257 HA VAL 33 HA VAL 33 -1.200 -3.125 -3.439 258 HB VAL 33 HB VAL 33 -2.660 -1.704 -2.085 259 HG11 VAL 33 1HG1 VAL 33 -0.790 -2.768 -0.983 260 HG12 VAL 33 2HG1 VAL 33 -1.084 -1.182 -0.272 261 HG13 VAL 33 3HG1 VAL 33 0.258 -1.409 -1.393 262 HG21 VAL 33 3HG2 VAL 33 -2.438 0.398 -3.286 263 HG22 VAL 33 1HG2 VAL 33 -0.755 0.533 -2.776 264 HG23 VAL 33 2HG2 VAL 33 -2.048 0.623 -1.581 265 H ARG 34 H ARG 34 -3.017 -3.538 -4.544 266 HA ARG 34 HA ARG 34 -3.696 -1.638 -6.685 267 HB2 ARG 34 1HB ARG 34 -2.783 -3.983 -7.244 268 HB3 ARG 34 2HB ARG 34 -4.348 -4.576 -6.706 269 HG2 ARG 34 1HG ARG 34 -5.466 -3.281 -8.407 270 HG3 ARG 34 2HG ARG 34 -3.928 -2.572 -8.910 271 HD2 ARG 34 1HD ARG 34 -3.117 -4.847 -9.461 272 HD3 ARG 34 2HD ARG 34 -4.718 -5.476 -9.071 273 HE ARG 34 HE ARG 34 -4.245 -3.519 -11.224 274 HH11 ARG 34 1HH1 ARG 34 -5.700 -6.456 -10.010 275 HH12 ARG 34 2HH1 ARG 34 -6.653 -6.735 -11.437 276 HH21 ARG 34 1HH2 ARG 34 -5.489 -3.879 -13.115 277 HH22 ARG 34 2HH2 ARG 34 -6.547 -5.254 -13.197 278 H VAL 35 H VAL 35 -5.292 -0.456 -5.861 279 HA VAL 35 HA VAL 35 -7.314 -1.777 -4.198 280 HB VAL 35 HB VAL 35 -7.834 0.444 -3.314 281 HG11 VAL 35 1HG1 VAL 35 -5.758 0.827 -2.082 282 HG12 VAL 35 2HG1 VAL 35 -4.882 -0.174 -3.239 283 HG13 VAL 35 3HG1 VAL 35 -6.119 -0.894 -2.209 284 HG21 VAL 35 3HG2 VAL 35 -5.603 1.427 -5.095 285 HG22 VAL 35 1HG2 VAL 35 -6.448 2.384 -3.877 286 HG23 VAL 35 2HG2 VAL 35 -7.320 1.783 -5.287 287 H LYS 36 H LYS 36 -9.522 -1.106 -4.386 288 HA LYS 36 HA LYS 36 -10.276 -0.518 -7.155 289 HB2 LYS 36 1HB LYS 36 -11.842 -1.637 -4.819 290 HB3 LYS 36 2HB LYS 36 -12.546 -1.272 -6.387 291 HG2 LYS 36 1HG LYS 36 -10.195 -2.984 -6.561 292 HG3 LYS 36 2HG LYS 36 -11.512 -3.686 -5.616 293 HD2 LYS 36 1HD LYS 36 -11.760 -2.563 -8.408 294 HD3 LYS 36 2HD LYS 36 -11.667 -4.279 -7.998 295 HE2 LYS 36 1HE LYS 36 -13.727 -4.108 -6.724 296 HE3 LYS 36 2HE LYS 36 -13.807 -2.377 -7.045 297 HZ1 LYS 36 3HZ LYS 36 -13.919 -2.955 -9.449 298 HZ2 LYS 36 1HZ LYS 36 -15.259 -3.461 -8.541 299 HZ3 LYS 36 2HZ LYS 36 -14.083 -4.588 -9.005 300 H THR 37 H THR 37 -11.112 1.440 -7.662 301 HA THR 37 HA THR 37 -11.949 3.137 -5.406 302 HB THR 37 HB THR 37 -11.404 5.067 -7.021 303 HG1 THR 37 HG1 THR 37 -10.887 3.104 -8.656 304 HG21 THR 37 3HG2 THR 37 -10.091 4.597 -5.025 305 HG22 THR 37 1HG2 THR 37 -9.034 5.061 -6.358 306 HG23 THR 37 2HG2 THR 37 -9.176 3.365 -5.896 307 H GLU 38 H GLU 38 -13.763 4.428 -5.637 308 HA GLU 38 HA GLU 38 -15.590 3.515 -7.756 309 HB2 GLU 38 1HB GLU 38 -16.203 2.880 -5.448 310 HB3 GLU 38 2HB GLU 38 -16.240 4.578 -5.004 311 HG2 GLU 38 1HG GLU 38 -18.094 4.970 -6.487 312 HG3 GLU 38 2HG GLU 38 -18.012 3.308 -7.075 313 H GLY 39 H GLY 39 -15.606 4.982 -9.316 314 HA2 GLY 39 1HA GLY 39 -16.948 7.267 -9.400 315 HA3 GLY 39 2HA GLY 39 -15.436 7.818 -8.691 316 H TYR 40 H TYR 40 -15.074 9.135 -10.510 317 HA TYR 40 HA TYR 40 -14.138 7.629 -12.865 318 HB2 TYR 40 1HB TYR 40 -15.411 10.372 -12.757 319 HB3 TYR 40 2HB TYR 40 -14.624 9.711 -14.185 320 HD1 TYR 40 HD1 TYR 40 -15.655 7.903 -15.449 321 HD2 TYR 40 HD2 TYR 40 -17.578 9.555 -12.033 322 HE1 TYR 40 HE1 TYR 40 -17.764 6.838 -16.130 323 HE2 TYR 40 HE2 TYR 40 -19.692 8.494 -12.704 324 HH TYR 40 HH TYR 40 -19.851 6.140 -15.213 325 H ASN 41 H ASN 41 -12.086 8.028 -13.533 326 HA ASN 41 HA ASN 41 -10.543 9.949 -11.926 327 HB2 ASN 41 1HB ASN 41 -9.543 7.597 -13.558 328 HB3 ASN 41 2HB ASN 41 -8.545 8.668 -12.588 329 HD21 ASN 41 2HD2 ASN 41 -7.751 7.123 -11.249 330 HD22 ASN 41 1HD2 ASN 41 -8.716 6.269 -10.099 331 HA PRO 42 HA PRO 42 -10.421 12.020 -15.987 332 HB2 PRO 42 1HB PRO 42 -10.215 14.501 -14.532 333 HB3 PRO 42 2HB PRO 42 -11.555 13.922 -15.524 334 HG2 PRO 42 1HG PRO 42 -11.681 14.230 -12.800 335 HG3 PRO 42 2HG PRO 42 -12.698 13.111 -13.723 336 HD2 PRO 42 1HD PRO 42 -10.221 12.554 -12.134 337 HD3 PRO 42 2HD PRO 42 -11.713 11.598 -12.271 338 H SER 43 H SER 43 -8.774 13.858 -13.454 339 HA SER 43 HA SER 43 -6.176 12.880 -14.112 340 HB2 SER 43 1HB SER 43 -6.538 14.461 -15.996 341 HB3 SER 43 2HB SER 43 -6.816 15.756 -14.831 342 HG SER 43 HG SER 43 -4.625 15.594 -15.697 343 H ILE 44 H ILE 44 -5.897 12.495 -11.985 344 HA ILE 44 HA ILE 44 -5.714 14.829 -10.209 345 HB ILE 44 HB ILE 44 -6.772 12.136 -9.311 346 HG12 ILE 44 1HG1 ILE 44 -8.351 14.658 -9.870 347 HG13 ILE 44 2HG1 ILE 44 -8.362 13.214 -10.875 348 HG21 ILE 44 1HG2 ILE 44 -7.451 13.367 -7.294 349 HG22 ILE 44 2HG2 ILE 44 -6.714 14.828 -7.951 350 HG23 ILE 44 3HG2 ILE 44 -5.708 13.435 -7.555 351 HD11 ILE 44 3HD1 ILE 44 -10.330 13.326 -9.459 352 HD12 ILE 44 1HD1 ILE 44 -9.307 13.383 -8.024 353 HD13 ILE 44 2HD1 ILE 44 -9.326 11.939 -9.036 354 H ASN 45 H ASN 45 -4.233 14.394 -8.359 355 HA ASN 45 HA ASN 45 -1.864 13.034 -9.256 356 HB2 ASN 45 1HB ASN 45 -2.432 14.320 -6.573 357 HB3 ASN 45 2HB ASN 45 -0.846 13.897 -7.215 358 HD21 ASN 45 2HD2 ASN 45 0.094 15.182 -8.779 359 HD22 ASN 45 1HD2 ASN 45 -0.534 16.748 -9.192 360 H VAL 46 H VAL 46 -3.767 11.147 -9.133 361 HA VAL 46 HA VAL 46 -4.096 9.876 -6.623 362 HB VAL 46 HB VAL 46 -4.957 7.944 -7.949 363 HG11 VAL 46 1HG1 VAL 46 -6.057 10.655 -8.687 364 HG12 VAL 46 2HG1 VAL 46 -6.446 9.730 -7.237 365 HG13 VAL 46 3HG1 VAL 46 -6.923 9.124 -8.823 366 HG21 VAL 46 3HG2 VAL 46 -3.543 8.165 -9.922 367 HG22 VAL 46 1HG2 VAL 46 -4.306 9.706 -10.313 368 HG23 VAL 46 2HG2 VAL 46 -5.248 8.216 -10.372 369 H ASN 47 H ASN 47 -1.722 9.574 -9.183 370 HA ASN 47 HA ASN 47 -0.617 7.131 -8.093 371 HB2 ASN 47 1HB ASN 47 0.401 8.973 -10.270 372 HB3 ASN 47 2HB ASN 47 1.147 7.444 -9.825 373 HD21 ASN 47 2HD2 ASN 47 0.006 8.300 -12.361 374 HD22 ASN 47 1HD2 ASN 47 -1.224 7.150 -12.744 375 H GLU 48 H GLU 48 -0.423 10.389 -7.369 376 HA GLU 48 HA GLU 48 2.238 10.174 -6.189 377 HB2 GLU 48 1HB GLU 48 0.335 12.493 -6.490 378 HB3 GLU 48 2HB GLU 48 1.838 12.593 -5.578 379 HG2 GLU 48 1HG GLU 48 3.105 12.033 -7.574 380 HG3 GLU 48 2HG GLU 48 1.608 11.890 -8.495 381 H LEU 49 H LEU 49 -1.054 9.842 -5.390 382 HA LEU 49 HA LEU 49 -0.638 9.909 -2.539 383 HB2 LEU 49 1HB LEU 49 -2.792 8.563 -4.182 384 HB3 LEU 49 2HB LEU 49 -2.815 8.744 -2.437 385 HG LEU 49 HG LEU 49 -2.872 11.026 -4.414 386 HD11 LEU 49 1HD1 LEU 49 -5.070 9.849 -2.719 387 HD12 LEU 49 2HD1 LEU 49 -4.924 9.713 -4.473 388 HD13 LEU 49 3HD1 LEU 49 -5.197 11.290 -3.730 389 HD21 LEU 49 3HD2 LEU 49 -3.202 10.985 -1.415 390 HD22 LEU 49 1HD2 LEU 49 -3.393 12.395 -2.458 391 HD23 LEU 49 2HD2 LEU 49 -1.816 11.624 -2.297 392 H PHE 50 H PHE 50 -0.024 8.189 -1.231 393 HA PHE 50 HA PHE 50 0.578 5.670 -2.621 394 HB2 PHE 50 1HB PHE 50 2.421 7.187 -0.767 395 HB3 PHE 50 2HB PHE 50 2.690 5.522 -1.271 396 HD1 PHE 50 HD2 PHE 50 2.748 5.120 -3.847 397 HD2 PHE 50 HD1 PHE 50 3.345 8.903 -1.993 398 HE1 PHE 50 HE2 PHE 50 3.917 5.918 -5.859 399 HE2 PHE 50 HE1 PHE 50 4.516 9.707 -4.000 400 HZ PHE 50 HZ PHE 50 4.803 8.214 -5.937 401 H ALA 51 H ALA 51 1.165 3.919 -1.048 402 HA ALA 51 HA ALA 51 -0.591 4.046 1.312 403 HB1 ALA 51 3HB ALA 51 -0.631 1.599 1.206 404 HB2 ALA 51 1HB ALA 51 0.430 1.644 -0.203 405 HB3 ALA 51 2HB ALA 51 -1.197 2.317 -0.302 406 H TYR 52 H TYR 52 0.261 3.570 3.331 407 HA TYR 52 HA TYR 52 3.153 3.047 3.394 408 HB2 TYR 52 1HB TYR 52 3.019 4.549 5.560 409 HB3 TYR 52 2HB TYR 52 3.245 5.260 3.969 410 HD1 TYR 52 HD1 TYR 52 0.687 4.547 6.571 411 HD2 TYR 52 HD2 TYR 52 1.700 6.792 3.103 412 HE1 TYR 52 HE1 TYR 52 -1.299 5.959 6.907 413 HE2 TYR 52 HE2 TYR 52 -0.282 8.203 3.428 414 HH TYR 52 HH TYR 52 -2.201 8.451 4.545 415 H VAL 53 H VAL 53 3.943 1.797 4.989 416 HA VAL 53 HA VAL 53 2.003 0.681 6.904 417 HB VAL 53 HB VAL 53 3.458 -1.360 6.975 418 HG11 VAL 53 1HG1 VAL 53 1.387 -1.336 5.696 419 HG12 VAL 53 2HG1 VAL 53 2.613 -2.316 4.892 420 HG13 VAL 53 3HG1 VAL 53 2.249 -0.697 4.295 421 HG21 VAL 53 3HG2 VAL 53 4.985 -1.767 5.088 422 HG22 VAL 53 1HG2 VAL 53 5.516 -0.416 6.088 423 HG23 VAL 53 2HG2 VAL 53 4.732 -0.109 4.540 424 H ASP 54 H ASP 54 2.466 0.967 8.994 425 HA ASP 54 HA ASP 54 4.820 2.428 9.743 426 HB2 ASP 54 1HB ASP 54 2.569 1.252 11.387 427 HB3 ASP 54 2HB ASP 54 3.906 2.160 12.083 428 H LEU 55 H LEU 55 6.703 1.596 10.192 429 HA LEU 55 HA LEU 55 6.888 -1.271 10.876 430 HB2 LEU 55 1HB LEU 55 8.901 0.542 9.535 431 HB3 LEU 55 2HB LEU 55 9.155 -1.152 9.904 432 HG LEU 55 HG LEU 55 7.016 -0.147 8.027 433 HD11 LEU 55 1HD1 LEU 55 9.222 0.379 7.144 434 HD12 LEU 55 2HD1 LEU 55 8.478 -0.936 6.233 435 HD13 LEU 55 3HD1 LEU 55 9.738 -1.286 7.415 436 HD21 LEU 55 3HD2 LEU 55 6.956 -2.497 7.317 437 HD22 LEU 55 1HD2 LEU 55 6.526 -2.305 9.018 438 HD23 LEU 55 2HD2 LEU 55 8.129 -2.893 8.574 439 H SER 56 H SER 56 6.458 0.907 12.760 440 HA SER 56 HA SER 56 8.931 1.872 13.747 441 HB2 SER 56 1HB SER 56 6.200 1.947 15.034 442 HB3 SER 56 2HB SER 56 7.585 2.952 15.468 443 HG SER 56 HG SER 56 7.305 3.262 12.896 444 H GLY 57 H GLY 57 6.882 -0.833 14.698 445 HA2 GLY 57 1HA GLY 57 9.017 -1.715 16.482 446 HA3 GLY 57 2HA GLY 57 7.481 -1.355 17.252 447 H SER 58 H SER 58 9.134 -3.458 14.994 448 HA SER 58 HA SER 58 7.248 -5.572 15.675 449 HB2 SER 58 1HB SER 58 7.985 -4.852 12.826 450 HB3 SER 58 2HB SER 58 7.080 -6.287 13.307 451 HG SER 58 HG SER 58 5.374 -5.082 13.231 452 H GLU 59 H GLU 59 8.089 -7.702 15.317 453 HA GLU 59 HA GLU 59 10.819 -7.989 15.949 454 HB2 GLU 59 1HB GLU 59 9.026 -10.136 14.795 455 HB3 GLU 59 2HB GLU 59 10.471 -10.371 15.764 456 HG2 GLU 59 1HG GLU 59 8.798 -10.775 17.282 457 HG3 GLU 59 2HG GLU 59 9.158 -9.077 17.585 458 HA PRO 60 HA PRO 60 12.695 -7.901 11.939 459 HB2 PRO 60 1HB PRO 60 14.816 -9.642 12.943 460 HB3 PRO 60 2HB PRO 60 14.897 -7.942 12.477 461 HG2 PRO 60 1HG PRO 60 15.115 -8.761 15.048 462 HG3 PRO 60 2HG PRO 60 14.403 -7.200 14.596 463 HD2 PRO 60 1HD PRO 60 13.038 -9.755 15.364 464 HD3 PRO 60 2HD PRO 60 12.641 -8.083 15.820 465 H GLY 61 H GLY 61 11.143 -9.168 10.857 466 HA2 GLY 61 1HA GLY 61 12.099 -11.403 9.525 467 HA3 GLY 61 2HA GLY 61 11.118 -12.005 10.860 468 H GLU 62 H GLU 62 9.842 -12.852 8.951 469 HA GLU 62 HA GLU 62 8.269 -10.924 7.500 470 HB2 GLU 62 1HB GLU 62 8.014 -13.919 7.779 471 HB3 GLU 62 2HB GLU 62 6.971 -12.939 6.757 472 HG2 GLU 62 1HG GLU 62 8.998 -12.185 5.530 473 HG3 GLU 62 2HG GLU 62 9.934 -13.342 6.478 474 H HIS 63 H HIS 63 6.717 -9.787 8.432 475 HA HIS 63 HA HIS 63 4.845 -11.174 10.200 476 HB2 HIS 63 1HB HIS 63 6.305 -8.626 10.905 477 HB3 HIS 63 2HB HIS 63 4.842 -9.157 11.730 478 HD1 HIS 63 HD1 HIS 63 5.027 -11.375 13.147 479 HD2 HIS 63 HD2 HIS 63 8.628 -9.905 11.677 480 HE1 HIS 63 HE1 HIS 63 6.828 -12.609 14.397 481 HE2 HIS 63 HE2 HIS 63 8.983 -11.870 13.320 482 H ASP 64 H ASP 64 3.003 -9.513 10.778 483 HA ASP 64 HA ASP 64 1.975 -8.776 8.147 484 HB2 ASP 64 1HB ASP 64 0.555 -9.126 10.795 485 HB3 ASP 64 2HB ASP 64 -0.234 -8.760 9.264 486 H TYR 65 H TYR 65 1.520 -6.765 7.551 487 HA TYR 65 HA TYR 65 1.473 -4.653 9.602 488 HB2 TYR 65 1HB TYR 65 2.806 -4.422 6.891 489 HB3 TYR 65 2HB TYR 65 2.728 -3.169 8.126 490 HD1 TYR 65 HD2 TYR 65 3.991 -3.478 10.265 491 HD2 TYR 65 HD1 TYR 65 4.461 -6.113 6.959 492 HE1 TYR 65 HE2 TYR 65 6.089 -4.317 11.236 493 HE2 TYR 65 HE1 TYR 65 6.558 -6.957 7.920 494 HH TYR 65 HH TYR 65 7.515 -6.276 11.122 495 H GLU 66 H GLU 66 -0.140 -3.203 9.385 496 HA GLU 66 HA GLU 66 -2.171 -3.698 7.413 497 HB2 GLU 66 1HB GLU 66 -2.803 -3.111 9.702 498 HB3 GLU 66 2HB GLU 66 -1.959 -1.575 9.559 499 HG2 GLU 66 1HG GLU 66 -3.524 -0.884 7.808 500 HG3 GLU 66 2HG GLU 66 -4.377 -2.418 7.975 501 H VAL 67 H VAL 67 -2.370 -2.736 5.513 502 HA VAL 67 HA VAL 67 -0.510 -0.641 4.777 503 HB VAL 67 HB VAL 67 -2.618 -2.046 3.129 504 HG11 VAL 67 1HG1 VAL 67 -1.442 -1.108 1.194 505 HG12 VAL 67 2HG1 VAL 67 -0.381 -0.211 2.281 506 HG13 VAL 67 3HG1 VAL 67 -2.105 0.154 2.230 507 HG21 VAL 67 3HG2 VAL 67 -0.870 -3.556 3.883 508 HG22 VAL 67 1HG2 VAL 67 0.366 -2.446 3.289 509 HG23 VAL 67 2HG2 VAL 67 -0.718 -3.251 2.153 510 H LYS 68 H LYS 68 -0.997 1.354 5.341 511 HA LYS 68 HA LYS 68 -3.797 2.217 5.345 512 HB2 LYS 68 1HB LYS 68 -1.347 3.586 6.483 513 HB3 LYS 68 2HB LYS 68 -3.019 4.085 6.715 514 HG2 LYS 68 1HG LYS 68 -3.506 2.182 8.029 515 HG3 LYS 68 2HG LYS 68 -1.994 1.397 7.577 516 HD2 LYS 68 1HD LYS 68 -0.772 3.220 8.760 517 HD3 LYS 68 2HD LYS 68 -2.331 3.840 9.314 518 HE2 LYS 68 1HE LYS 68 -2.781 1.794 10.498 519 HE3 LYS 68 2HE LYS 68 -1.332 1.043 9.833 520 HZ1 LYS 68 3HZ LYS 68 -1.449 3.291 11.771 521 HZ2 LYS 68 1HZ LYS 68 -0.021 2.760 11.020 522 HZ3 LYS 68 2HZ LYS 68 -0.879 1.723 12.050 523 H VAL 69 H VAL 69 -4.508 3.247 3.610 524 HA VAL 69 HA VAL 69 -2.552 4.397 1.748 525 HB VAL 69 HB VAL 69 -5.455 3.742 1.217 526 HG11 VAL 69 1HG1 VAL 69 -4.494 5.355 -0.335 527 HG12 VAL 69 2HG1 VAL 69 -4.801 3.814 -1.137 528 HG13 VAL 69 3HG1 VAL 69 -3.159 4.253 -0.668 529 HG21 VAL 69 3HG2 VAL 69 -4.666 1.698 0.134 530 HG22 VAL 69 1HG2 VAL 69 -4.262 1.714 1.850 531 HG23 VAL 69 2HG2 VAL 69 -3.018 2.059 0.648 532 H GLU 70 H GLU 70 -2.812 6.467 0.891 533 HA GLU 70 HA GLU 70 -3.945 8.465 2.515 534 HB2 GLU 70 1HB GLU 70 -2.998 8.489 -0.350 535 HB3 GLU 70 2HB GLU 70 -3.558 9.933 0.481 536 HG2 GLU 70 1HG GLU 70 -1.290 8.214 1.453 537 HG3 GLU 70 2HG GLU 70 -1.087 9.640 0.436 538 HA PRO 71 HA PRO 71 -8.135 8.421 1.062 539 HB2 PRO 71 1HB PRO 71 -9.012 10.671 2.207 540 HB3 PRO 71 2HB PRO 71 -8.538 9.274 3.179 541 HG2 PRO 71 1HG PRO 71 -7.029 11.790 2.617 542 HG3 PRO 71 2HG PRO 71 -7.151 10.868 4.125 543 HD2 PRO 71 1HD PRO 71 -5.035 10.728 2.342 544 HD3 PRO 71 2HD PRO 71 -5.437 9.486 3.542 545 H ILE 72 H ILE 72 -9.447 9.303 -0.507 546 HA ILE 72 HA ILE 72 -8.349 11.602 -2.001 547 HB ILE 72 HB ILE 72 -10.085 9.432 -3.185 548 HG12 ILE 72 1HG1 ILE 72 -7.070 9.680 -3.343 549 HG13 ILE 72 2HG1 ILE 72 -7.935 8.472 -2.399 550 HG21 ILE 72 1HG2 ILE 72 -8.335 11.539 -4.456 551 HG22 ILE 72 2HG2 ILE 72 -10.094 11.583 -4.348 552 HG23 ILE 72 3HG2 ILE 72 -9.302 10.340 -5.316 553 HD11 ILE 72 3HD1 ILE 72 -7.108 7.547 -4.486 554 HD12 ILE 72 1HD1 ILE 72 -8.016 8.757 -5.394 555 HD13 ILE 72 2HD1 ILE 72 -8.872 7.540 -4.446 556 HA PRO 73 HA PRO 73 -12.316 13.221 -0.728 557 HB2 PRO 73 1HB PRO 73 -11.818 15.809 -1.172 558 HB3 PRO 73 2HB PRO 73 -11.013 14.938 0.139 559 HG2 PRO 73 1HG PRO 73 -9.967 15.702 -2.551 560 HG3 PRO 73 2HG PRO 73 -9.140 15.700 -0.984 561 HD2 PRO 73 1HD PRO 73 -8.945 13.705 -2.918 562 HD3 PRO 73 2HD PRO 73 -8.519 13.524 -1.206 563 H ASN 74 H ASN 74 -11.639 12.337 -3.530 564 HA ASN 74 HA ASN 74 -13.794 13.803 -4.891 565 HB2 ASN 74 1HB ASN 74 -11.120 13.024 -6.086 566 HB3 ASN 74 2HB ASN 74 -12.518 13.459 -7.060 567 HD21 ASN 74 2HD2 ASN 74 -11.581 15.235 -7.974 568 HD22 ASN 74 1HD2 ASN 74 -11.202 16.677 -7.094 569 H ILE 75 H ILE 75 -11.646 11.009 -5.179 570 HA ILE 75 HA ILE 75 -13.913 9.367 -6.069 571 HB ILE 75 HB ILE 75 -10.957 8.731 -6.221 572 HG12 ILE 75 1HG1 ILE 75 -12.782 9.680 -8.441 573 HG13 ILE 75 2HG1 ILE 75 -11.605 10.698 -7.617 574 HG21 ILE 75 1HG2 ILE 75 -13.346 7.423 -7.519 575 HG22 ILE 75 2HG2 ILE 75 -12.385 6.761 -6.196 576 HG23 ILE 75 3HG2 ILE 75 -11.660 6.981 -7.789 577 HD11 ILE 75 3HD1 ILE 75 -9.811 9.250 -8.410 578 HD12 ILE 75 1HD1 ILE 75 -10.755 9.920 -9.741 579 HD13 ILE 75 2HD1 ILE 75 -10.999 8.245 -9.243 580 H LYS 76 H LYS 76 -14.502 7.575 -4.872 581 HA LYS 76 HA LYS 76 -13.414 7.509 -2.167 582 HB2 LYS 76 1HB LYS 76 -15.821 6.180 -3.412 583 HB3 LYS 76 2HB LYS 76 -15.313 5.908 -1.750 584 HG2 LYS 76 1HG LYS 76 -15.555 8.343 -1.336 585 HG3 LYS 76 2HG LYS 76 -16.215 8.508 -2.965 586 HD2 LYS 76 1HD LYS 76 -17.355 6.680 -0.862 587 HD3 LYS 76 2HD LYS 76 -17.932 8.323 -1.149 588 HE2 LYS 76 1HE LYS 76 -18.482 7.713 -3.460 589 HE3 LYS 76 2HE LYS 76 -17.909 6.072 -3.156 590 HZ1 LYS 76 3HZ LYS 76 -19.634 5.818 -1.483 591 HZ2 LYS 76 1HZ LYS 76 -20.314 6.221 -2.984 592 HZ3 LYS 76 2HZ LYS 76 -20.180 7.398 -1.772 593 H ILE 77 H ILE 77 -12.148 5.939 -1.383 594 HA ILE 77 HA ILE 77 -11.314 3.835 -3.181 595 HB ILE 77 HB ILE 77 -9.609 4.944 -1.820 596 HG12 ILE 77 1HG1 ILE 77 -9.987 2.052 -1.015 597 HG13 ILE 77 2HG1 ILE 77 -9.299 2.595 -2.542 598 HG21 ILE 77 1HG2 ILE 77 -9.477 4.570 0.598 599 HG22 ILE 77 2HG2 ILE 77 -11.038 3.752 0.548 600 HG23 ILE 77 3HG2 ILE 77 -10.930 5.467 0.151 601 HD11 ILE 77 3HD1 ILE 77 -7.567 1.916 -0.989 602 HD12 ILE 77 1HD1 ILE 77 -8.146 3.089 0.193 603 HD13 ILE 77 2HD1 ILE 77 -7.455 3.643 -1.333 604 H VAL 78 H VAL 78 -12.108 1.878 -3.235 605 HA VAL 78 HA VAL 78 -14.271 1.219 -1.386 606 HB VAL 78 HB VAL 78 -13.433 -0.141 -3.951 607 HG11 VAL 78 1HG1 VAL 78 -15.664 -1.130 -3.908 608 HG12 VAL 78 2HG1 VAL 78 -15.969 -0.371 -2.346 609 HG13 VAL 78 3HG1 VAL 78 -14.711 -1.599 -2.499 610 HG21 VAL 78 3HG2 VAL 78 -14.071 2.124 -4.419 611 HG22 VAL 78 1HG2 VAL 78 -15.542 1.952 -3.461 612 HG23 VAL 78 2HG2 VAL 78 -15.351 1.037 -4.958 613 H GLU 79 H GLU 79 -11.559 -0.447 -2.940 614 HA GLU 79 HA GLU 79 -11.550 -2.361 -0.704 615 HB2 GLU 79 1HB GLU 79 -12.393 -3.385 -2.763 616 HB3 GLU 79 2HB GLU 79 -10.959 -2.855 -3.631 617 HG2 GLU 79 1HG GLU 79 -9.621 -4.249 -2.011 618 HG3 GLU 79 2HG GLU 79 -11.157 -4.927 -1.473 619 H ILE 80 H ILE 80 -9.646 -2.677 0.292 620 HA ILE 80 HA ILE 80 -7.253 -1.474 -0.922 621 HB ILE 80 HB ILE 80 -7.708 -2.163 1.989 622 HG12 ILE 80 1HG1 ILE 80 -7.704 0.536 0.617 623 HG13 ILE 80 2HG1 ILE 80 -9.133 -0.294 1.223 624 HG21 ILE 80 1HG2 ILE 80 -5.653 -0.884 2.373 625 HG22 ILE 80 2HG2 ILE 80 -5.473 -0.658 0.633 626 HG23 ILE 80 3HG2 ILE 80 -5.367 -2.276 1.329 627 HD11 ILE 80 3HD1 ILE 80 -8.423 1.443 2.753 628 HD12 ILE 80 1HD1 ILE 80 -6.827 0.702 2.882 629 HD13 ILE 80 2HD1 ILE 80 -8.247 -0.147 3.496 630 H SER 81 H SER 81 -6.120 -2.978 -1.964 631 HA SER 81 HA SER 81 -5.597 -5.520 -0.597 632 HB2 SER 81 1HB SER 81 -6.254 -5.190 -3.536 633 HB3 SER 81 2HB SER 81 -5.743 -6.693 -2.771 634 HG SER 81 HG SER 81 -8.194 -5.769 -2.998 635 HA PRO 82 HA PRO 82 -4.348 -6.706 -0.073 636 HB2 PRO 82 1HB PRO 82 -1.768 -6.741 1.197 637 HB3 PRO 82 2HB PRO 82 -2.529 -8.014 0.244 638 HG2 PRO 82 1HG PRO 82 -0.292 -6.622 -0.539 639 HG3 PRO 82 2HG PRO 82 -1.408 -7.429 -1.655 640 HD2 PRO 82 1HD PRO 82 -1.230 -4.535 -0.908 641 HD3 PRO 82 2HD PRO 82 -1.545 -5.273 -2.493 642 H ARG 83 H ARG 83 -5.144 -6.333 1.941 643 HA ARG 83 HA ARG 83 -4.803 -3.708 3.074 644 HB2 ARG 83 1HB ARG 83 -6.718 -5.810 3.222 645 HB3 ARG 83 2HB ARG 83 -6.180 -5.454 4.858 646 HG2 ARG 83 1HG ARG 83 -6.870 -3.207 4.703 647 HG3 ARG 83 2HG ARG 83 -7.095 -3.320 2.955 648 HD2 ARG 83 1HD ARG 83 -8.699 -4.787 5.046 649 HD3 ARG 83 2HD ARG 83 -9.233 -3.375 4.134 650 HE ARG 83 HE ARG 83 -8.540 -5.196 2.220 651 HH11 ARG 83 1HH1 ARG 83 -10.687 -5.259 4.984 652 HH12 ARG 83 2HH1 ARG 83 -11.838 -6.317 4.225 653 HH21 ARG 83 1HH2 ARG 83 -10.043 -6.617 1.228 654 HH22 ARG 83 2HH2 ARG 83 -11.474 -7.083 2.102 655 H VAL 84 H VAL 84 -3.849 -6.993 3.852 656 HA VAL 84 HA VAL 84 -2.022 -5.904 5.895 657 HB VAL 84 HB VAL 84 -3.324 -8.639 5.953 658 HG11 VAL 84 1HG1 VAL 84 -2.345 -8.799 8.195 659 HG12 VAL 84 2HG1 VAL 84 -1.555 -7.240 7.954 660 HG13 VAL 84 3HG1 VAL 84 -1.108 -8.620 6.952 661 HG21 VAL 84 3HG2 VAL 84 -4.957 -6.895 6.442 662 HG22 VAL 84 1HG2 VAL 84 -3.881 -6.216 7.663 663 HG23 VAL 84 2HG2 VAL 84 -4.574 -7.821 7.892 664 H VAL 85 H VAL 85 0.023 -6.107 5.254 665 HA VAL 85 HA VAL 85 0.645 -8.194 3.273 666 HB VAL 85 HB VAL 85 2.644 -6.827 2.704 667 HG11 VAL 85 1HG1 VAL 85 1.424 -5.088 1.473 668 HG12 VAL 85 2HG1 VAL 85 -0.012 -5.423 2.441 669 HG13 VAL 85 3HG1 VAL 85 0.631 -6.658 1.359 670 HG21 VAL 85 3HG2 VAL 85 1.369 -4.785 4.524 671 HG22 VAL 85 1HG2 VAL 85 2.740 -4.492 3.453 672 HG23 VAL 85 2HG2 VAL 85 2.898 -5.619 4.800 673 H THR 86 H THR 86 2.582 -9.359 3.439 674 HA THR 86 HA THR 86 3.630 -9.532 6.187 675 HB THR 86 HB THR 86 3.804 -11.648 4.033 676 HG1 THR 86 HG1 THR 86 1.665 -10.840 5.440 677 HG21 THR 86 3HG2 THR 86 5.443 -11.859 5.840 678 HG22 THR 86 1HG2 THR 86 4.239 -13.144 5.936 679 HG23 THR 86 2HG2 THR 86 4.150 -11.768 7.035 680 H LEU 87 H LEU 87 5.359 -8.198 6.205 681 HA LEU 87 HA LEU 87 7.234 -8.306 3.943 682 HB2 LEU 87 1HB LEU 87 6.988 -6.257 6.149 683 HB3 LEU 87 2HB LEU 87 8.125 -6.187 4.816 684 HG LEU 87 HG LEU 87 5.118 -6.058 4.550 685 HD11 LEU 87 1HD1 LEU 87 7.216 -3.908 4.290 686 HD12 LEU 87 2HD1 LEU 87 6.035 -4.057 5.591 687 HD13 LEU 87 3HD1 LEU 87 5.497 -3.719 3.946 688 HD21 LEU 87 3HD2 LEU 87 6.192 -7.085 2.612 689 HD22 LEU 87 1HD2 LEU 87 7.299 -5.718 2.494 690 HD23 LEU 87 2HD2 LEU 87 5.573 -5.480 2.219 691 H GLN 88 H GLN 88 9.381 -8.769 4.243 692 HA GLN 88 HA GLN 88 10.022 -10.085 6.776 693 HB2 GLN 88 1HB GLN 88 10.318 -11.390 4.725 694 HB3 GLN 88 2HB GLN 88 11.408 -10.168 4.089 695 HG2 GLN 88 1HG GLN 88 12.987 -10.641 5.895 696 HG3 GLN 88 2HG GLN 88 11.895 -11.879 6.516 697 HE21 GLN 88 2HE2 GLN 88 14.638 -12.096 5.527 698 HE22 GLN 88 1HE2 GLN 88 14.589 -13.246 4.240 699 H LEU 89 H LEU 89 10.812 -8.659 8.199 700 HA LEU 89 HA LEU 89 12.778 -6.691 7.357 701 HB2 LEU 89 1HB LEU 89 11.598 -7.314 10.065 702 HB3 LEU 89 2HB LEU 89 12.809 -6.079 9.790 703 HG LEU 89 HG LEU 89 9.981 -6.115 8.744 704 HD11 LEU 89 1HD1 LEU 89 9.772 -4.059 10.052 705 HD12 LEU 89 2HD1 LEU 89 11.433 -4.248 10.614 706 HD13 LEU 89 3HD1 LEU 89 10.207 -5.432 11.069 707 HD21 LEU 89 3HD2 LEU 89 12.188 -4.141 8.165 708 HD22 LEU 89 1HD2 LEU 89 10.497 -3.959 7.705 709 HD23 LEU 89 2HD2 LEU 89 11.464 -5.260 7.010 710 H GLU 90 H GLU 90 14.893 -6.621 8.157 711 HA GLU 90 HA GLU 90 15.904 -9.116 9.330 712 HB2 GLU 90 1HB GLU 90 16.285 -8.998 6.841 713 HB3 GLU 90 2HB GLU 90 17.273 -7.571 7.117 714 HG2 GLU 90 1HG GLU 90 18.514 -9.733 6.823 715 HG3 GLU 90 2HG GLU 90 18.913 -8.807 8.271 716 H HIS 91 H HIS 91 18.193 -8.762 10.166 717 HA HIS 91 HA HIS 91 18.095 -6.558 11.988 718 HB2 HIS 91 1HB HIS 91 20.246 -8.620 11.471 719 HB3 HIS 91 2HB HIS 91 20.256 -7.475 12.809 720 HD1 HIS 91 HD1 HIS 91 18.386 -10.491 11.523 721 HD2 HIS 91 HD2 HIS 91 18.704 -8.189 14.978 722 HE1 HIS 91 HE1 HIS 91 17.143 -11.759 13.306 723 HE2 HIS 91 HE2 HIS 91 17.561 -10.466 15.429 724 H HIS 92 H HIS 92 18.636 -4.564 11.459 725 HA HIS 92 HA HIS 92 20.462 -4.082 9.244 726 HB2 HIS 92 1HB HIS 92 18.349 -2.806 9.411 727 HB3 HIS 92 2HB HIS 92 18.887 -2.129 10.941 728 HD1 HIS 92 HD1 HIS 92 19.056 -1.614 7.302 729 HD2 HIS 92 HD2 HIS 92 21.082 -0.278 10.677 730 HE1 HIS 92 HE1 HIS 92 20.307 0.436 6.573 731 HE2 HIS 92 HE2 HIS 92 21.324 1.352 8.688 732 H HIS 93 H HIS 93 22.458 -4.635 10.030 733 HA HIS 93 HA HIS 93 23.470 -3.099 12.323 734 HB2 HIS 93 1HB HIS 93 24.528 -5.568 10.937 735 HB3 HIS 93 2HB HIS 93 25.462 -4.663 12.121 736 HD1 HIS 93 HD1 HIS 93 24.753 -4.848 14.592 737 HD2 HIS 93 HD2 HIS 93 22.463 -7.133 11.979 738 HE1 HIS 93 HE1 HIS 93 23.434 -6.423 16.044 739 HE2 HIS 93 HE2 HIS 93 22.248 -7.950 14.425 740 H HIS 94 H HIS 94 25.549 -2.044 12.119 741 HA HIS 94 HA HIS 94 25.949 -0.976 9.440 742 HB2 HIS 94 1HB HIS 94 25.874 0.505 11.491 743 HB3 HIS 94 2HB HIS 94 27.420 -0.193 11.963 744 HD1 HIS 94 HD1 HIS 94 25.854 2.075 9.414 745 HD2 HIS 94 HD2 HIS 94 29.633 0.756 10.555 746 HE1 HIS 94 HE1 HIS 94 27.489 3.535 8.178 747 HE2 HIS 94 HE2 HIS 94 29.756 2.841 9.025 748 H HIS 95 H HIS 95 27.493 -3.087 11.745 749 HA HIS 95 HA HIS 95 29.751 -3.455 9.913 750 HB2 HIS 95 1HB HIS 95 29.324 -4.095 12.803 751 HB3 HIS 95 2HB HIS 95 30.445 -5.087 11.880 752 HD1 HIS 95 HD1 HIS 95 32.764 -4.200 11.596 753 HD2 HIS 95 HD2 HIS 95 30.089 -1.274 12.862 754 HE1 HIS 95 HE1 HIS 95 34.165 -2.183 12.137 755 HE2 HIS 95 HE2 HIS 95 32.542 -0.461 12.998 756 H HIS 96 H HIS 96 28.869 -4.648 8.281 757 HA HIS 96 HA HIS 96 27.760 -7.270 9.002 758 HB2 HIS 96 1HB HIS 96 26.328 -6.027 7.492 759 HB3 HIS 96 2HB HIS 96 27.672 -5.730 6.395 760 HD1 HIS 96 HD1 HIS 96 25.837 -8.775 7.802 761 HD2 HIS 96 HD2 HIS 96 27.731 -7.475 4.331 762 HE1 HIS 96 HE1 HIS 96 25.513 -10.615 6.121 763 HE2 HIS 96 HE2 HIS 96 26.592 -9.777 4.003 Start of MODEL 7 1 H1 SER 1 1H SER 1 -28.643 1.652 -17.865 2 H2 SER 1 2H SER 1 -29.118 3.253 -18.149 3 H3 SER 1 3H SER 1 -29.405 2.538 -16.640 4 HA SER 1 HA SER 1 -26.739 3.089 -17.797 5 HB2 SER 1 1HB SER 1 -28.005 5.129 -17.133 6 HB3 SER 1 2HB SER 1 -28.195 4.457 -15.515 7 HG SER 1 HG SER 1 -26.407 5.535 -15.193 8 H SER 2 H SER 2 -25.241 1.763 -16.997 9 HA SER 2 HA SER 2 -25.772 0.462 -14.409 10 HB2 SER 2 1HB SER 2 -24.250 -0.746 -16.726 11 HB3 SER 2 2HB SER 2 -24.739 -1.550 -15.236 12 HG SER 2 HG SER 2 -26.054 -1.564 -17.432 13 H GLN 3 H GLN 3 -23.620 -0.564 -13.587 14 HA GLN 3 HA GLN 3 -21.806 1.547 -13.041 15 HB2 GLN 3 1HB GLN 3 -22.365 -0.384 -11.533 16 HB3 GLN 3 2HB GLN 3 -21.423 -1.418 -12.595 17 HG2 GLN 3 1HG GLN 3 -19.418 -0.191 -12.080 18 HG3 GLN 3 2HG GLN 3 -20.339 0.959 -11.110 19 HE21 GLN 3 2HE2 GLN 3 -18.122 -0.777 -10.352 20 HE22 GLN 3 1HE2 GLN 3 -18.719 -1.755 -9.040 21 H THR 4 H THR 4 -19.699 1.884 -13.801 22 HA THR 4 HA THR 4 -18.783 0.247 -16.038 23 HB THR 4 HB THR 4 -19.114 3.239 -16.337 24 HG1 THR 4 HG1 THR 4 -21.140 1.962 -16.272 25 HG21 THR 4 3HG2 THR 4 -17.328 2.250 -17.690 26 HG22 THR 4 1HG2 THR 4 -18.668 2.782 -18.704 27 HG23 THR 4 2HG2 THR 4 -18.466 1.069 -18.337 28 H LEU 5 H LEU 5 -16.577 0.254 -16.286 29 HA LEU 5 HA LEU 5 -15.068 0.940 -13.999 30 HB2 LEU 5 1HB LEU 5 -14.096 0.100 -16.725 31 HB3 LEU 5 2HB LEU 5 -13.148 0.090 -15.250 32 HG LEU 5 HG LEU 5 -15.579 -1.617 -15.792 33 HD11 LEU 5 1HD1 LEU 5 -13.648 -2.312 -17.088 34 HD12 LEU 5 2HD1 LEU 5 -13.979 -3.469 -15.798 35 HD13 LEU 5 3HD1 LEU 5 -12.653 -2.318 -15.632 36 HD21 LEU 5 3HD2 LEU 5 -13.713 -1.566 -13.422 37 HD22 LEU 5 1HD2 LEU 5 -15.009 -2.730 -13.692 38 HD23 LEU 5 2HD2 LEU 5 -15.392 -1.029 -13.432 39 H ASP 6 H ASP 6 -16.034 2.917 -16.505 40 HA ASP 6 HA ASP 6 -13.761 4.654 -16.629 41 HB2 ASP 6 1HB ASP 6 -16.673 5.029 -17.339 42 HB3 ASP 6 2HB ASP 6 -15.498 6.329 -17.484 43 H ARG 7 H ARG 7 -16.132 3.998 -14.340 44 HA ARG 7 HA ARG 7 -15.814 6.618 -13.032 45 HB2 ARG 7 1HB ARG 7 -18.059 4.648 -12.594 46 HB3 ARG 7 2HB ARG 7 -18.001 6.343 -12.118 47 HG2 ARG 7 1HG ARG 7 -18.207 7.077 -14.354 48 HG3 ARG 7 2HG ARG 7 -17.923 5.455 -14.985 49 HD2 ARG 7 1HD ARG 7 -20.040 4.761 -13.799 50 HD3 ARG 7 2HD ARG 7 -20.340 6.478 -13.518 51 HE ARG 7 HE ARG 7 -19.820 5.752 -16.274 52 HH11 ARG 7 1HH1 ARG 7 -22.242 6.289 -13.805 53 HH12 ARG 7 2HH1 ARG 7 -23.526 6.563 -14.944 54 HH21 ARG 7 1HH2 ARG 7 -21.492 6.091 -17.774 55 HH22 ARG 7 2HH2 ARG 7 -23.101 6.439 -17.214 56 H ASP 8 H ASP 8 -15.993 3.120 -12.542 57 HA ASP 8 HA ASP 8 -14.585 3.513 -9.990 58 HB2 ASP 8 1HB ASP 8 -15.582 1.313 -9.283 59 HB3 ASP 8 2HB ASP 8 -16.740 2.622 -9.475 60 HA PRO 9 HA PRO 9 -11.746 1.066 -12.602 61 HB2 PRO 9 1HB PRO 9 -9.650 2.711 -12.564 62 HB3 PRO 9 2HB PRO 9 -11.053 3.049 -13.587 63 HG2 PRO 9 1HG PRO 9 -10.235 4.303 -11.016 64 HG3 PRO 9 2HG PRO 9 -11.053 5.026 -12.411 65 HD2 PRO 9 1HD PRO 9 -12.263 4.108 -10.029 66 HD3 PRO 9 2HD PRO 9 -13.091 4.587 -11.523 67 H THR 10 H THR 10 -9.473 0.307 -12.130 68 HA THR 10 HA THR 10 -9.095 -0.035 -9.228 69 HB THR 10 HB THR 10 -8.019 -1.732 -11.497 70 HG1 THR 10 HG1 THR 10 -10.422 -1.733 -10.782 71 HG21 THR 10 3HG2 THR 10 -7.938 -2.154 -8.505 72 HG22 THR 10 1HG2 THR 10 -6.562 -1.750 -9.532 73 HG23 THR 10 2HG2 THR 10 -7.378 -3.302 -9.721 74 H LEU 11 H LEU 11 -7.426 0.987 -8.326 75 HA LEU 11 HA LEU 11 -5.422 2.177 -10.114 76 HB2 LEU 11 1HB LEU 11 -6.173 2.931 -7.290 77 HB3 LEU 11 2HB LEU 11 -5.018 3.774 -8.306 78 HG LEU 11 HG LEU 11 -7.941 3.485 -8.956 79 HD11 LEU 11 1HD1 LEU 11 -8.133 5.842 -8.311 80 HD12 LEU 11 2HD1 LEU 11 -6.456 5.824 -7.768 81 HD13 LEU 11 3HD1 LEU 11 -7.659 4.829 -6.948 82 HD21 LEU 11 3HD2 LEU 11 -5.787 5.212 -10.162 83 HD22 LEU 11 1HD2 LEU 11 -7.493 5.221 -10.611 84 HD23 LEU 11 2HD2 LEU 11 -6.511 3.785 -10.905 85 H THR 12 H THR 12 -3.417 1.509 -10.059 86 HA THR 12 HA THR 12 -2.587 -0.298 -7.897 87 HB THR 12 HB THR 12 -1.186 0.186 -10.534 88 HG1 THR 12 HG1 THR 12 -3.473 -0.783 -10.457 89 HG21 THR 12 3HG2 THR 12 -0.991 -2.062 -8.524 90 HG22 THR 12 1HG2 THR 12 0.211 -0.795 -8.773 91 HG23 THR 12 2HG2 THR 12 -0.116 -1.966 -10.052 92 H LEU 13 H LEU 13 -1.635 0.747 -6.277 93 HA LEU 13 HA LEU 13 0.039 3.095 -6.891 94 HB2 LEU 13 1HB LEU 13 -1.205 2.342 -4.244 95 HB3 LEU 13 2HB LEU 13 -0.387 3.843 -4.630 96 HG LEU 13 HG LEU 13 -3.025 2.921 -5.775 97 HD11 LEU 13 1HD1 LEU 13 -2.355 5.115 -3.820 98 HD12 LEU 13 2HD1 LEU 13 -3.197 3.609 -3.453 99 HD13 LEU 13 3HD1 LEU 13 -3.947 4.804 -4.511 100 HD21 LEU 13 3HD2 LEU 13 -3.128 5.139 -6.797 101 HD22 LEU 13 1HD2 LEU 13 -1.754 4.215 -7.402 102 HD23 LEU 13 2HD2 LEU 13 -1.504 5.488 -6.210 103 H SER 14 H SER 14 2.077 3.298 -5.894 104 HA SER 14 HA SER 14 3.347 0.781 -5.276 105 HB2 SER 14 1HB SER 14 5.405 2.261 -5.067 106 HB3 SER 14 2HB SER 14 4.620 2.259 -6.646 107 HG SER 14 HG SER 14 3.888 4.179 -4.725 108 H LEU 15 H LEU 15 4.186 0.150 -3.327 109 HA LEU 15 HA LEU 15 3.056 1.463 -0.986 110 HB2 LEU 15 1HB LEU 15 2.862 -0.989 -1.315 111 HB3 LEU 15 2HB LEU 15 4.608 -1.118 -1.237 112 HG LEU 15 HG LEU 15 4.511 -0.240 1.100 113 HD11 LEU 15 1HD1 LEU 15 1.542 -0.608 0.731 114 HD12 LEU 15 2HD1 LEU 15 2.379 0.929 0.952 115 HD13 LEU 15 3HD1 LEU 15 2.360 -0.259 2.255 116 HD21 LEU 15 3HD2 LEU 15 4.686 -2.629 0.646 117 HD22 LEU 15 1HD2 LEU 15 2.929 -2.746 0.540 118 HD23 LEU 15 2HD2 LEU 15 3.694 -2.330 2.074 119 H ILE 16 H ILE 16 4.209 2.612 0.463 120 HA ILE 16 HA ILE 16 7.145 2.626 0.172 121 HB ILE 16 HB ILE 16 7.162 4.915 1.024 122 HG12 ILE 16 1HG1 ILE 16 4.140 4.797 0.888 123 HG13 ILE 16 2HG1 ILE 16 5.070 4.717 2.380 124 HG21 ILE 16 1HG2 ILE 16 6.179 6.033 -0.925 125 HG22 ILE 16 2HG2 ILE 16 5.306 4.553 -1.325 126 HG23 ILE 16 3HG2 ILE 16 7.069 4.580 -1.378 127 HD11 ILE 16 3HD1 ILE 16 4.198 6.941 2.042 128 HD12 ILE 16 1HD1 ILE 16 4.976 7.033 0.461 129 HD13 ILE 16 2HD1 ILE 16 5.957 6.957 1.924 130 H ALA 17 H ALA 17 8.390 2.918 2.084 131 HA ALA 17 HA ALA 17 7.261 1.595 4.405 132 HB1 ALA 17 3HB ALA 17 10.047 2.628 3.884 133 HB2 ALA 17 1HB ALA 17 9.487 0.977 3.618 134 HB3 ALA 17 2HB ALA 17 9.555 1.633 5.254 135 H LYS 18 H LYS 18 6.124 2.787 5.815 136 HA LYS 18 HA LYS 18 6.939 5.581 6.227 137 HB2 LYS 18 1HB LYS 18 4.610 5.216 5.453 138 HB3 LYS 18 2HB LYS 18 4.301 4.266 6.901 139 HG2 LYS 18 1HG LYS 18 4.881 6.280 8.255 140 HG3 LYS 18 2HG LYS 18 4.956 7.196 6.749 141 HD2 LYS 18 1HD LYS 18 2.619 6.585 6.287 142 HD3 LYS 18 2HD LYS 18 2.556 5.725 7.828 143 HE2 LYS 18 1HE LYS 18 3.106 7.852 8.978 144 HE3 LYS 18 2HE LYS 18 3.021 8.674 7.419 145 HZ1 LYS 18 3HZ LYS 18 0.956 8.873 8.683 146 HZ2 LYS 18 1HZ LYS 18 0.787 7.184 8.691 147 HZ3 LYS 18 2HZ LYS 18 0.716 8.042 7.226 148 H ASN 19 H ASN 19 7.544 6.297 8.174 149 HA ASN 19 HA ASN 19 8.151 6.352 10.358 150 HB2 ASN 19 1HB ASN 19 5.904 4.350 10.587 151 HB3 ASN 19 2HB ASN 19 6.788 4.957 11.983 152 HD21 ASN 19 2HD2 ASN 19 3.964 5.242 11.321 153 HD22 ASN 19 1HD2 ASN 19 3.674 6.949 11.272 154 H THR 20 H THR 20 9.194 4.256 8.416 155 HA THR 20 HA THR 20 9.886 1.973 9.975 156 HB THR 20 HB THR 20 11.116 2.899 7.376 157 HG1 THR 20 HG1 THR 20 8.606 1.993 7.991 158 HG21 THR 20 3HG2 THR 20 11.526 0.505 7.027 159 HG22 THR 20 1HG2 THR 20 10.824 0.150 8.606 160 HG23 THR 20 2HG2 THR 20 12.324 1.073 8.494 161 HA PRO 21 HA PRO 21 13.345 4.048 11.959 162 HB2 PRO 21 1HB PRO 21 13.756 1.545 13.381 163 HB3 PRO 21 2HB PRO 21 13.214 3.101 14.010 164 HG2 PRO 21 1HG PRO 21 11.600 0.922 13.852 165 HG3 PRO 21 2HG PRO 21 10.998 2.586 13.739 166 HD2 PRO 21 1HD PRO 21 11.537 0.611 11.552 167 HD3 PRO 21 2HD PRO 21 10.182 1.746 11.741 168 H ALA 22 H ALA 22 15.654 3.386 12.479 169 HA ALA 22 HA ALA 22 16.789 2.239 10.068 170 HB1 ALA 22 3HB ALA 22 18.920 3.051 10.926 171 HB2 ALA 22 1HB ALA 22 18.157 3.472 12.459 172 HB3 ALA 22 2HB ALA 22 17.701 4.323 10.984 173 H ASN 23 H ASN 23 15.777 1.079 12.995 174 HA ASN 23 HA ASN 23 17.816 -0.893 13.459 175 HB2 ASN 23 1HB ASN 23 15.017 -0.554 14.551 176 HB3 ASN 23 2HB ASN 23 16.081 -1.872 15.026 177 HD21 ASN 23 2HD2 ASN 23 14.901 0.343 16.563 178 HD22 ASN 23 1HD2 ASN 23 16.235 1.142 17.320 179 H SER 24 H SER 24 15.429 -0.564 11.174 180 HA SER 24 HA SER 24 15.307 -3.462 10.734 181 HB2 SER 24 1HB SER 24 12.934 -3.023 9.884 182 HB3 SER 24 2HB SER 24 13.172 -2.945 11.629 183 HG SER 24 HG SER 24 13.392 -0.616 10.052 184 H MET 25 H MET 25 15.924 -4.052 8.766 185 HA MET 25 HA MET 25 15.825 -2.045 6.607 186 HB2 MET 25 1HB MET 25 18.113 -2.756 7.159 187 HB3 MET 25 2HB MET 25 17.658 -4.436 6.909 188 HG2 MET 25 1HG MET 25 17.197 -3.957 4.554 189 HG3 MET 25 2HG MET 25 17.674 -2.279 4.809 190 HE1 MET 25 3HE MET 25 20.564 -5.858 5.194 191 HE2 MET 25 1HE MET 25 18.866 -6.019 4.746 192 HE3 MET 25 2HE MET 25 19.303 -5.504 6.375 193 H ILE 26 H ILE 26 14.807 -2.618 4.703 194 HA ILE 26 HA ILE 26 13.328 -5.165 4.812 195 HB ILE 26 HB ILE 26 12.554 -2.826 3.083 196 HG12 ILE 26 1HG1 ILE 26 11.600 -3.317 5.914 197 HG13 ILE 26 2HG1 ILE 26 12.738 -2.055 5.452 198 HG21 ILE 26 1HG2 ILE 26 10.328 -3.848 3.266 199 HG22 ILE 26 2HG2 ILE 26 11.004 -5.117 4.287 200 HG23 ILE 26 3HG2 ILE 26 11.516 -4.972 2.606 201 HD11 ILE 26 3HD1 ILE 26 9.893 -2.298 4.505 202 HD12 ILE 26 1HD1 ILE 26 11.032 -1.033 4.042 203 HD13 ILE 26 2HD1 ILE 26 10.497 -1.169 5.717 204 H MET 27 H MET 27 14.714 -6.545 3.684 205 HA MET 27 HA MET 27 15.767 -5.722 1.113 206 HB2 MET 27 1HB MET 27 15.774 -8.423 2.470 207 HB3 MET 27 2HB MET 27 16.585 -8.066 0.952 208 HG2 MET 27 1HG MET 27 17.895 -6.315 2.176 209 HG3 MET 27 2HG MET 27 17.200 -6.942 3.669 210 HE1 MET 27 3HE MET 27 20.013 -9.304 0.878 211 HE2 MET 27 1HE MET 27 19.578 -7.609 0.651 212 HE3 MET 27 2HE MET 27 18.365 -8.869 0.423 213 H THR 28 H THR 28 12.883 -7.063 2.277 214 HA THR 28 HA THR 28 12.063 -8.232 -0.231 215 HB THR 28 HB THR 28 10.427 -7.513 2.215 216 HG1 THR 28 HG1 THR 28 12.048 -9.164 2.525 217 HG21 THR 28 3HG2 THR 28 8.741 -9.037 1.279 218 HG22 THR 28 1HG2 THR 28 9.733 -9.242 -0.164 219 HG23 THR 28 2HG2 THR 28 9.037 -7.667 0.209 220 H LYS 29 H LYS 29 11.800 -6.882 -1.908 221 HA LYS 29 HA LYS 29 11.434 -4.108 -1.625 222 HB2 LYS 29 1HB LYS 29 12.508 -5.150 -3.587 223 HB3 LYS 29 2HB LYS 29 10.954 -5.816 -4.072 224 HG2 LYS 29 1HG LYS 29 10.075 -3.683 -4.552 225 HG3 LYS 29 2HG LYS 29 11.405 -2.868 -3.728 226 HD2 LYS 29 1HD LYS 29 12.957 -3.750 -5.437 227 HD3 LYS 29 2HD LYS 29 11.581 -4.464 -6.281 228 HE2 LYS 29 1HE LYS 29 12.334 -2.274 -7.209 229 HE3 LYS 29 2HE LYS 29 10.641 -2.313 -6.717 230 HZ1 LYS 29 3HZ LYS 29 11.914 -0.285 -6.039 231 HZ2 LYS 29 1HZ LYS 29 12.805 -1.263 -4.976 232 HZ3 LYS 29 2HZ LYS 29 11.127 -1.089 -4.775 233 H LEU 30 H LEU 30 9.716 -2.958 -1.246 234 HA LEU 30 HA LEU 30 7.184 -4.076 -0.757 235 HB2 LEU 30 1HB LEU 30 7.898 -1.190 -1.294 236 HB3 LEU 30 2HB LEU 30 6.423 -1.758 -0.534 237 HG LEU 30 HG LEU 30 9.193 -2.117 0.618 238 HD11 LEU 30 1HD1 LEU 30 8.556 0.230 0.576 239 HD12 LEU 30 2HD1 LEU 30 8.529 -0.398 2.224 240 HD13 LEU 30 3HD1 LEU 30 7.017 -0.161 1.345 241 HD21 LEU 30 3HD2 LEU 30 7.998 -2.756 2.652 242 HD22 LEU 30 1HD2 LEU 30 7.623 -3.847 1.317 243 HD23 LEU 30 2HD2 LEU 30 6.461 -2.610 1.799 244 HA PRO 31 HA PRO 31 5.891 -4.253 -5.017 245 HB2 PRO 31 1HB PRO 31 3.612 -5.612 -4.618 246 HB3 PRO 31 2HB PRO 31 5.194 -6.383 -4.444 247 HG2 PRO 31 1HG PRO 31 3.346 -5.349 -2.331 248 HG3 PRO 31 2HG PRO 31 4.301 -6.843 -2.350 249 HD2 PRO 31 1HD PRO 31 5.049 -4.552 -1.031 250 HD3 PRO 31 2HD PRO 31 6.186 -5.786 -1.606 251 H SER 32 H SER 32 3.311 -4.190 -5.827 252 HA SER 32 HA SER 32 2.470 -1.484 -5.084 253 HB2 SER 32 1HB SER 32 1.222 -1.689 -7.344 254 HB3 SER 32 2HB SER 32 2.975 -1.490 -7.376 255 HG SER 32 HG SER 32 1.871 -3.264 -8.684 256 H VAL 33 H VAL 33 0.382 -1.057 -4.515 257 HA VAL 33 HA VAL 33 -1.273 -3.386 -3.851 258 HB VAL 33 HB VAL 33 -0.731 -1.766 -2.038 259 HG11 VAL 33 1HG1 VAL 33 -1.823 0.420 -2.001 260 HG12 VAL 33 2HG1 VAL 33 -2.414 0.150 -3.641 261 HG13 VAL 33 3HG1 VAL 33 -0.681 0.282 -3.338 262 HG21 VAL 33 3HG2 VAL 33 -2.719 -3.143 -1.864 263 HG22 VAL 33 1HG2 VAL 33 -3.651 -1.947 -2.764 264 HG23 VAL 33 2HG2 VAL 33 -3.014 -1.550 -1.167 265 H ARG 34 H ARG 34 -3.326 -3.634 -4.703 266 HA ARG 34 HA ARG 34 -4.047 -1.705 -6.800 267 HB2 ARG 34 1HB ARG 34 -4.626 -4.662 -6.607 268 HB3 ARG 34 2HB ARG 34 -5.365 -3.601 -7.799 269 HG2 ARG 34 1HG ARG 34 -3.151 -3.053 -8.682 270 HG3 ARG 34 2HG ARG 34 -2.417 -4.130 -7.492 271 HD2 ARG 34 1HD ARG 34 -3.614 -6.022 -8.458 272 HD3 ARG 34 2HD ARG 34 -4.377 -4.950 -9.631 273 HE ARG 34 HE ARG 34 -1.983 -4.485 -10.364 274 HH11 ARG 34 1HH1 ARG 34 -3.021 -7.548 -9.010 275 HH12 ARG 34 2HH1 ARG 34 -1.819 -8.475 -9.865 276 HH21 ARG 34 1HH2 ARG 34 -0.422 -5.684 -11.492 277 HH22 ARG 34 2HH2 ARG 34 -0.341 -7.414 -11.285 278 H VAL 35 H VAL 35 -5.405 -0.335 -5.916 279 HA VAL 35 HA VAL 35 -7.536 -1.373 -4.183 280 HB VAL 35 HB VAL 35 -7.793 0.918 -3.347 281 HG11 VAL 35 1HG1 VAL 35 -4.920 0.004 -3.264 282 HG12 VAL 35 2HG1 VAL 35 -6.221 -0.613 -2.249 283 HG13 VAL 35 3HG1 VAL 35 -5.713 1.069 -2.103 284 HG21 VAL 35 3HG2 VAL 35 -7.128 2.159 -5.339 285 HG22 VAL 35 1HG2 VAL 35 -5.468 1.597 -5.149 286 HG23 VAL 35 2HG2 VAL 35 -6.181 2.668 -3.942 287 H LYS 36 H LYS 36 -9.598 -1.297 -4.857 288 HA LYS 36 HA LYS 36 -10.141 -0.000 -7.412 289 HB2 LYS 36 1HB LYS 36 -10.883 -2.387 -6.907 290 HB3 LYS 36 2HB LYS 36 -12.057 -1.687 -5.800 291 HG2 LYS 36 1HG LYS 36 -13.076 -0.455 -7.631 292 HG3 LYS 36 2HG LYS 36 -11.877 -1.105 -8.749 293 HD2 LYS 36 1HD LYS 36 -12.697 -3.385 -8.224 294 HD3 LYS 36 2HD LYS 36 -13.955 -2.666 -7.217 295 HE2 LYS 36 1HE LYS 36 -13.572 -2.287 -10.184 296 HE3 LYS 36 2HE LYS 36 -14.864 -3.187 -9.393 297 HZ1 LYS 36 3HZ LYS 36 -15.625 -1.121 -8.380 298 HZ2 LYS 36 1HZ LYS 36 -15.621 -0.999 -10.074 299 HZ3 LYS 36 2HZ LYS 36 -14.396 -0.267 -9.170 300 H THR 37 H THR 37 -11.388 1.790 -7.599 301 HA THR 37 HA THR 37 -12.478 2.895 -5.094 302 HB THR 37 HB THR 37 -11.776 5.152 -5.992 303 HG1 THR 37 HG1 THR 37 -11.350 4.117 -8.170 304 HG21 THR 37 3HG2 THR 37 -10.544 4.068 -4.183 305 HG22 THR 37 1HG2 THR 37 -9.440 4.926 -5.258 306 HG23 THR 37 2HG2 THR 37 -9.584 3.171 -5.359 307 H GLU 38 H GLU 38 -14.275 4.284 -5.295 308 HA GLU 38 HA GLU 38 -15.658 4.125 -7.893 309 HB2 GLU 38 1HB GLU 38 -16.808 4.552 -5.123 310 HB3 GLU 38 2HB GLU 38 -17.743 4.564 -6.613 311 HG2 GLU 38 1HG GLU 38 -17.101 2.230 -7.015 312 HG3 GLU 38 2HG GLU 38 -16.212 2.227 -5.493 313 H GLY 39 H GLY 39 -14.903 5.905 -8.924 314 HA2 GLY 39 1HA GLY 39 -15.935 8.366 -8.759 315 HA3 GLY 39 2HA GLY 39 -14.682 8.442 -7.527 316 H TYR 40 H TYR 40 -14.749 10.038 -9.870 317 HA TYR 40 HA TYR 40 -12.572 8.886 -11.485 318 HB2 TYR 40 1HB TYR 40 -14.682 9.467 -12.698 319 HB3 TYR 40 2HB TYR 40 -14.445 11.146 -12.229 320 HD1 TYR 40 HD1 TYR 40 -13.144 8.396 -14.306 321 HD2 TYR 40 HD2 TYR 40 -12.845 12.534 -13.361 322 HE1 TYR 40 HE1 TYR 40 -11.762 8.748 -16.310 323 HE2 TYR 40 HE2 TYR 40 -11.463 12.897 -15.360 324 HH TYR 40 HH TYR 40 -11.173 10.645 -17.838 325 H ASN 41 H ASN 41 -10.627 9.823 -11.436 326 HA ASN 41 HA ASN 41 -10.085 11.887 -9.545 327 HB2 ASN 41 1HB ASN 41 -8.367 10.529 -11.622 328 HB3 ASN 41 2HB ASN 41 -7.750 11.768 -10.536 329 HD21 ASN 41 2HD2 ASN 41 -8.928 8.509 -10.805 330 HD22 ASN 41 1HD2 ASN 41 -8.405 7.986 -9.240 331 HA PRO 42 HA PRO 42 -10.783 15.169 -12.540 332 HB2 PRO 42 1HB PRO 42 -10.677 17.036 -10.358 333 HB3 PRO 42 2HB PRO 42 -12.094 16.490 -11.255 334 HG2 PRO 42 1HG PRO 42 -11.597 15.906 -8.606 335 HG3 PRO 42 2HG PRO 42 -12.651 14.956 -9.668 336 HD2 PRO 42 1HD PRO 42 -9.829 14.433 -8.830 337 HD3 PRO 42 2HD PRO 42 -11.166 13.288 -9.076 338 H SER 43 H SER 43 -8.938 16.391 -9.776 339 HA SER 43 HA SER 43 -6.720 17.039 -11.596 340 HB2 SER 43 1HB SER 43 -6.181 18.744 -9.745 341 HB3 SER 43 2HB SER 43 -7.602 19.066 -10.741 342 HG SER 43 HG SER 43 -7.685 19.114 -8.248 343 H ILE 44 H ILE 44 -7.505 14.671 -9.718 344 HA ILE 44 HA ILE 44 -5.194 14.622 -7.945 345 HB ILE 44 HB ILE 44 -7.384 12.556 -8.225 346 HG12 ILE 44 1HG1 ILE 44 -7.171 14.823 -6.228 347 HG13 ILE 44 2HG1 ILE 44 -8.278 14.790 -7.596 348 HG21 ILE 44 1HG2 ILE 44 -5.370 13.072 -6.039 349 HG22 ILE 44 2HG2 ILE 44 -5.358 11.721 -7.172 350 HG23 ILE 44 3HG2 ILE 44 -6.654 11.865 -5.984 351 HD11 ILE 44 3HD1 ILE 44 -8.275 12.869 -5.281 352 HD12 ILE 44 1HD1 ILE 44 -9.387 12.836 -6.649 353 HD13 ILE 44 2HD1 ILE 44 -9.405 14.200 -5.532 354 H ASN 45 H ASN 45 -3.430 13.394 -8.298 355 HA ASN 45 HA ASN 45 -3.488 11.612 -10.645 356 HB2 ASN 45 1HB ASN 45 -1.129 13.105 -9.471 357 HB3 ASN 45 2HB ASN 45 -1.045 11.982 -10.823 358 HD21 ASN 45 2HD2 ASN 45 -1.799 15.161 -9.797 359 HD22 ASN 45 1HD2 ASN 45 -2.192 15.810 -11.359 360 H VAL 46 H VAL 46 -3.126 9.530 -10.321 361 HA VAL 46 HA VAL 46 -2.883 8.591 -7.623 362 HB VAL 46 HB VAL 46 -3.130 6.346 -8.571 363 HG11 VAL 46 1HG1 VAL 46 -5.373 6.650 -9.515 364 HG12 VAL 46 2HG1 VAL 46 -5.049 8.372 -9.713 365 HG13 VAL 46 3HG1 VAL 46 -5.116 7.668 -8.098 366 HG21 VAL 46 3HG2 VAL 46 -3.073 7.754 -11.238 367 HG22 VAL 46 1HG2 VAL 46 -3.491 6.061 -10.985 368 HG23 VAL 46 2HG2 VAL 46 -1.862 6.630 -10.625 369 H ASN 47 H ASN 47 -0.642 9.395 -10.010 370 HA ASN 47 HA ASN 47 1.396 7.598 -8.967 371 HB2 ASN 47 1HB ASN 47 1.449 9.737 -11.093 372 HB3 ASN 47 2HB ASN 47 2.911 8.936 -10.528 373 HD21 ASN 47 2HD2 ASN 47 -0.060 8.578 -12.283 374 HD22 ASN 47 1HD2 ASN 47 0.308 7.043 -12.995 375 H GLU 48 H GLU 48 -0.022 10.409 -8.014 376 HA GLU 48 HA GLU 48 2.369 11.397 -6.635 377 HB2 GLU 48 1HB GLU 48 -0.416 12.576 -6.727 378 HB3 GLU 48 2HB GLU 48 1.003 13.324 -6.006 379 HG2 GLU 48 1HG GLU 48 2.055 13.351 -8.252 380 HG3 GLU 48 2HG GLU 48 0.536 12.756 -8.920 381 H LEU 49 H LEU 49 -0.790 9.975 -6.125 382 HA LEU 49 HA LEU 49 -0.540 9.936 -3.249 383 HB2 LEU 49 1HB LEU 49 -2.462 8.487 -5.075 384 HB3 LEU 49 2HB LEU 49 -2.581 8.557 -3.328 385 HG LEU 49 HG LEU 49 -2.802 10.929 -5.182 386 HD11 LEU 49 1HD1 LEU 49 -5.169 10.902 -4.553 387 HD12 LEU 49 2HD1 LEU 49 -4.906 9.411 -3.647 388 HD13 LEU 49 3HD1 LEU 49 -4.697 9.427 -5.400 389 HD21 LEU 49 3HD2 LEU 49 -3.224 10.697 -2.202 390 HD22 LEU 49 1HD2 LEU 49 -3.535 12.131 -3.180 391 HD23 LEU 49 2HD2 LEU 49 -1.888 11.527 -3.000 392 H PHE 50 H PHE 50 0.122 8.246 -1.991 393 HA PHE 50 HA PHE 50 0.997 5.818 -3.417 394 HB2 PHE 50 1HB PHE 50 2.465 7.248 -1.192 395 HB3 PHE 50 2HB PHE 50 2.933 5.696 -1.875 396 HD1 PHE 50 HD2 PHE 50 3.366 5.668 -4.435 397 HD2 PHE 50 HD1 PHE 50 3.359 9.191 -2.051 398 HE1 PHE 50 HE2 PHE 50 4.704 6.823 -6.145 399 HE2 PHE 50 HE1 PHE 50 4.697 10.353 -3.757 400 HZ PHE 50 HZ PHE 50 5.371 9.169 -5.808 401 H ALA 51 H ALA 51 1.353 3.969 -1.950 402 HA ALA 51 HA ALA 51 -0.545 3.962 0.295 403 HB1 ALA 51 3HB ALA 51 0.641 1.645 -1.238 404 HB2 ALA 51 1HB ALA 51 -1.000 2.266 -1.407 405 HB3 ALA 51 2HB ALA 51 -0.494 1.514 0.105 406 H TYR 52 H TYR 52 0.184 3.093 2.304 407 HA TYR 52 HA TYR 52 3.083 2.853 2.568 408 HB2 TYR 52 1HB TYR 52 2.956 4.441 4.565 409 HB3 TYR 52 2HB TYR 52 2.875 5.166 2.964 410 HD1 TYR 52 HD2 TYR 52 0.709 6.018 2.105 411 HD2 TYR 52 HD1 TYR 52 1.124 4.615 6.099 412 HE1 TYR 52 HE2 TYR 52 -1.381 7.155 2.714 413 HE2 TYR 52 HE1 TYR 52 -0.967 5.752 6.719 414 HH TYR 52 HH TYR 52 -3.156 6.934 4.445 415 H VAL 53 H VAL 53 3.777 1.701 4.316 416 HA VAL 53 HA VAL 53 1.669 0.435 5.932 417 HB VAL 53 HB VAL 53 3.447 -1.343 6.388 418 HG11 VAL 53 1HG1 VAL 53 2.363 -1.034 3.591 419 HG12 VAL 53 2HG1 VAL 53 1.534 -1.770 4.963 420 HG13 VAL 53 3HG1 VAL 53 2.974 -2.534 4.288 421 HG21 VAL 53 3HG2 VAL 53 5.391 -0.098 5.595 422 HG22 VAL 53 1HG2 VAL 53 4.716 -0.062 3.966 423 HG23 VAL 53 2HG2 VAL 53 5.196 -1.598 4.689 424 H ASP 54 H ASP 54 1.719 0.701 8.069 425 HA ASP 54 HA ASP 54 3.562 2.656 9.103 426 HB2 ASP 54 1HB ASP 54 1.119 2.609 9.695 427 HB3 ASP 54 2HB ASP 54 1.428 1.141 10.617 428 H LEU 55 H LEU 55 5.547 1.718 9.153 429 HA LEU 55 HA LEU 55 5.887 -0.800 10.591 430 HB2 LEU 55 1HB LEU 55 7.944 0.860 9.126 431 HB3 LEU 55 2HB LEU 55 8.169 -0.765 9.745 432 HG LEU 55 HG LEU 55 6.382 0.066 7.458 433 HD11 LEU 55 1HD1 LEU 55 8.842 -1.667 7.575 434 HD12 LEU 55 2HD1 LEU 55 8.738 -0.045 6.890 435 HD13 LEU 55 3HD1 LEU 55 7.853 -1.377 6.144 436 HD21 LEU 55 3HD2 LEU 55 5.302 -1.681 8.761 437 HD22 LEU 55 1HD2 LEU 55 6.769 -2.656 8.686 438 HD23 LEU 55 2HD2 LEU 55 5.868 -2.307 7.211 439 H SER 56 H SER 56 5.073 0.753 12.412 440 HA SER 56 HA SER 56 7.052 2.461 13.581 441 HB2 SER 56 1HB SER 56 5.314 2.363 15.523 442 HB3 SER 56 2HB SER 56 4.871 3.158 14.012 443 HG SER 56 HG SER 56 3.386 1.707 13.694 444 H GLY 57 H GLY 57 6.754 -0.828 13.454 445 HA2 GLY 57 1HA GLY 57 7.843 -1.318 16.121 446 HA3 GLY 57 2HA GLY 57 7.358 -2.544 14.956 447 H SER 58 H SER 58 9.605 -3.196 15.978 448 HA SER 58 HA SER 58 11.542 -2.643 13.858 449 HB2 SER 58 1HB SER 58 12.238 -2.421 16.801 450 HB3 SER 58 2HB SER 58 13.362 -2.254 15.452 451 HG SER 58 HG SER 58 11.360 -0.588 15.007 452 H GLU 59 H GLU 59 9.762 -4.822 14.867 453 HA GLU 59 HA GLU 59 11.469 -6.827 15.994 454 HB2 GLU 59 1HB GLU 59 8.702 -7.077 14.798 455 HB3 GLU 59 2HB GLU 59 9.527 -8.321 15.722 456 HG2 GLU 59 1HG GLU 59 7.995 -7.326 17.197 457 HG3 GLU 59 2HG GLU 59 9.575 -6.690 17.647 458 HA PRO 60 HA PRO 60 13.132 -7.890 11.975 459 HB2 PRO 60 1HB PRO 60 14.600 -9.960 13.436 460 HB3 PRO 60 2HB PRO 60 15.219 -8.564 12.552 461 HG2 PRO 60 1HG PRO 60 15.323 -8.718 15.240 462 HG3 PRO 60 2HG PRO 60 15.102 -7.179 14.387 463 HD2 PRO 60 1HD PRO 60 13.061 -8.902 15.750 464 HD3 PRO 60 2HD PRO 60 13.244 -7.133 15.775 465 H GLY 61 H GLY 61 13.146 -9.701 10.569 466 HA2 GLY 61 1HA GLY 61 12.575 -11.921 9.960 467 HA3 GLY 61 2HA GLY 61 11.635 -12.060 11.442 468 H GLU 62 H GLU 62 9.981 -12.915 9.929 469 HA GLU 62 HA GLU 62 8.695 -10.914 8.274 470 HB2 GLU 62 1HB GLU 62 7.997 -13.798 8.837 471 HB3 GLU 62 2HB GLU 62 7.065 -12.749 7.777 472 HG2 GLU 62 1HG GLU 62 9.156 -12.418 6.432 473 HG3 GLU 62 2HG GLU 62 9.892 -13.691 7.405 474 H HIS 63 H HIS 63 7.529 -9.442 9.236 475 HA HIS 63 HA HIS 63 5.833 -10.225 11.522 476 HB2 HIS 63 1HB HIS 63 7.759 -8.637 12.004 477 HB3 HIS 63 2HB HIS 63 6.942 -7.463 10.981 478 HD1 HIS 63 HD1 HIS 63 4.483 -6.714 11.871 479 HD2 HIS 63 HD2 HIS 63 6.941 -8.667 14.596 480 HE1 HIS 63 HE1 HIS 63 3.539 -6.182 14.134 481 HE2 HIS 63 HE2 HIS 63 4.947 -7.492 15.761 482 H ASP 64 H ASP 64 3.708 -9.498 11.524 483 HA ASP 64 HA ASP 64 2.646 -8.869 8.905 484 HB2 ASP 64 1HB ASP 64 1.207 -9.182 11.553 485 HB3 ASP 64 2HB ASP 64 0.447 -9.107 9.968 486 H TYR 65 H TYR 65 1.769 -6.964 8.247 487 HA TYR 65 HA TYR 65 1.564 -4.786 10.192 488 HB2 TYR 65 1HB TYR 65 3.205 -4.734 7.668 489 HB3 TYR 65 2HB TYR 65 2.618 -3.259 8.430 490 HD1 TYR 65 HD1 TYR 65 3.267 -2.849 10.866 491 HD2 TYR 65 HD2 TYR 65 5.197 -5.736 8.409 492 HE1 TYR 65 HE1 TYR 65 5.197 -2.842 12.386 493 HE2 TYR 65 HE2 TYR 65 7.136 -5.736 9.924 494 HH TYR 65 HH TYR 65 8.175 -4.278 11.591 495 H GLU 66 H GLU 66 0.196 -3.102 9.604 496 HA GLU 66 HA GLU 66 -1.955 -3.933 7.835 497 HB2 GLU 66 1HB GLU 66 -2.496 -3.179 10.093 498 HB3 GLU 66 2HB GLU 66 -1.706 -1.641 9.790 499 HG2 GLU 66 1HG GLU 66 -3.390 -1.178 8.035 500 HG3 GLU 66 2HG GLU 66 -4.214 -2.672 8.489 501 H VAL 67 H VAL 67 -2.149 -3.198 5.831 502 HA VAL 67 HA VAL 67 -0.405 -1.118 4.844 503 HB VAL 67 HB VAL 67 -2.571 -2.677 3.413 504 HG11 VAL 67 1HG1 VAL 67 -2.064 -0.589 2.267 505 HG12 VAL 67 2HG1 VAL 67 -1.444 -1.964 1.351 506 HG13 VAL 67 3HG1 VAL 67 -0.342 -0.970 2.305 507 HG21 VAL 67 3HG2 VAL 67 -0.821 -4.134 4.258 508 HG22 VAL 67 1HG2 VAL 67 0.411 -3.112 3.517 509 HG23 VAL 67 2HG2 VAL 67 -0.721 -4.005 2.502 510 H LYS 68 H LYS 68 -0.928 0.937 4.378 511 HA LYS 68 HA LYS 68 -3.750 1.751 4.622 512 HB2 LYS 68 1HB LYS 68 -1.300 3.257 5.560 513 HB3 LYS 68 2HB LYS 68 -2.935 3.893 5.569 514 HG2 LYS 68 1HG LYS 68 -3.614 2.328 7.236 515 HG3 LYS 68 2HG LYS 68 -2.082 1.457 7.112 516 HD2 LYS 68 1HD LYS 68 -0.879 3.379 7.960 517 HD3 LYS 68 2HD LYS 68 -2.362 4.333 7.983 518 HE2 LYS 68 1HE LYS 68 -1.692 3.481 10.211 519 HE3 LYS 68 2HE LYS 68 -3.294 2.947 9.704 520 HZ1 LYS 68 3HZ LYS 68 -1.148 1.158 8.983 521 HZ2 LYS 68 1HZ LYS 68 -2.663 0.820 9.664 522 HZ3 LYS 68 2HZ LYS 68 -1.379 1.329 10.653 523 H VAL 69 H VAL 69 -4.363 3.545 3.313 524 HA VAL 69 HA VAL 69 -2.469 4.251 1.170 525 HB VAL 69 HB VAL 69 -5.443 3.762 0.841 526 HG11 VAL 69 1HG1 VAL 69 -4.682 5.545 -0.616 527 HG12 VAL 69 2HG1 VAL 69 -5.028 4.094 -1.558 528 HG13 VAL 69 3HG1 VAL 69 -3.358 4.534 -1.195 529 HG21 VAL 69 3HG2 VAL 69 -3.087 2.179 -0.181 530 HG22 VAL 69 1HG2 VAL 69 -4.779 1.876 -0.578 531 HG23 VAL 69 2HG2 VAL 69 -4.213 1.677 1.080 532 H GLU 70 H GLU 70 -2.555 6.421 0.471 533 HA GLU 70 HA GLU 70 -3.460 8.338 2.331 534 HB2 GLU 70 1HB GLU 70 -2.705 8.658 -0.578 535 HB3 GLU 70 2HB GLU 70 -2.988 9.997 0.527 536 HG2 GLU 70 1HG GLU 70 -1.155 9.123 1.956 537 HG3 GLU 70 2HG GLU 70 -0.824 7.917 0.712 538 HA PRO 71 HA PRO 71 -7.803 8.281 1.474 539 HB2 PRO 71 1HB PRO 71 -7.705 10.987 2.687 540 HB3 PRO 71 2HB PRO 71 -8.675 9.582 3.143 541 HG2 PRO 71 1HG PRO 71 -6.590 10.328 4.619 542 HG3 PRO 71 2HG PRO 71 -6.943 8.611 4.343 543 HD2 PRO 71 1HD PRO 71 -4.875 10.354 3.057 544 HD3 PRO 71 2HD PRO 71 -4.747 8.668 3.602 545 H ILE 72 H ILE 72 -8.694 8.683 -0.413 546 HA ILE 72 HA ILE 72 -7.899 11.027 -1.962 547 HB ILE 72 HB ILE 72 -9.716 8.775 -2.847 548 HG12 ILE 72 1HG1 ILE 72 -7.512 8.175 -4.186 549 HG13 ILE 72 2HG1 ILE 72 -6.730 8.960 -2.818 550 HG21 ILE 72 1HG2 ILE 72 -8.158 10.834 -4.401 551 HG22 ILE 72 2HG2 ILE 72 -9.906 10.797 -4.167 552 HG23 ILE 72 3HG2 ILE 72 -9.115 9.529 -5.103 553 HD11 ILE 72 3HD1 ILE 72 -6.839 6.560 -2.507 554 HD12 ILE 72 1HD1 ILE 72 -8.595 6.601 -2.675 555 HD13 ILE 72 2HD1 ILE 72 -7.822 7.389 -1.299 556 HA PRO 73 HA PRO 73 -11.782 12.957 -0.762 557 HB2 PRO 73 1HB PRO 73 -11.489 15.202 -2.251 558 HB3 PRO 73 2HB PRO 73 -10.642 14.954 -0.720 559 HG2 PRO 73 1HG PRO 73 -9.641 14.622 -3.516 560 HG3 PRO 73 2HG PRO 73 -8.823 15.327 -2.110 561 HD2 PRO 73 1HD PRO 73 -8.356 12.793 -2.998 562 HD3 PRO 73 2HD PRO 73 -8.183 13.276 -1.300 563 H ASN 74 H ASN 74 -13.788 13.127 -1.671 564 HA ASN 74 HA ASN 74 -15.501 12.988 -3.144 565 HB2 ASN 74 1HB ASN 74 -13.381 13.312 -5.275 566 HB3 ASN 74 2HB ASN 74 -15.115 13.303 -5.578 567 HD21 ASN 74 2HD2 ASN 74 -13.221 15.378 -6.129 568 HD22 ASN 74 1HD2 ASN 74 -13.735 16.778 -5.252 569 H ILE 75 H ILE 75 -12.700 11.072 -4.130 570 HA ILE 75 HA ILE 75 -14.378 9.036 -5.317 571 HB ILE 75 HB ILE 75 -11.394 9.030 -4.828 572 HG12 ILE 75 1HG1 ILE 75 -12.970 9.773 -7.307 573 HG13 ILE 75 2HG1 ILE 75 -12.064 10.886 -6.286 574 HG21 ILE 75 1HG2 ILE 75 -13.107 7.303 -6.609 575 HG22 ILE 75 2HG2 ILE 75 -12.294 6.796 -5.129 576 HG23 ILE 75 3HG2 ILE 75 -11.344 7.272 -6.537 577 HD11 ILE 75 3HD1 ILE 75 -10.900 8.635 -7.900 578 HD12 ILE 75 1HD1 ILE 75 -9.996 9.760 -6.886 579 HD13 ILE 75 2HD1 ILE 75 -10.851 10.350 -8.313 580 H LYS 76 H LYS 76 -15.012 7.181 -4.383 581 HA LYS 76 HA LYS 76 -14.439 6.792 -1.560 582 HB2 LYS 76 1HB LYS 76 -16.194 5.181 -3.422 583 HB3 LYS 76 2HB LYS 76 -16.130 5.028 -1.675 584 HG2 LYS 76 1HG LYS 76 -17.018 7.292 -1.439 585 HG3 LYS 76 2HG LYS 76 -17.085 7.442 -3.200 586 HD2 LYS 76 1HD LYS 76 -18.594 5.492 -3.274 587 HD3 LYS 76 2HD LYS 76 -18.571 5.431 -1.513 588 HE2 LYS 76 1HE LYS 76 -19.563 7.666 -1.428 589 HE3 LYS 76 2HE LYS 76 -19.585 7.722 -3.192 590 HZ1 LYS 76 3HZ LYS 76 -21.006 5.701 -3.125 591 HZ2 LYS 76 1HZ LYS 76 -21.737 7.070 -2.440 592 HZ3 LYS 76 2HZ LYS 76 -21.099 5.861 -1.440 593 H ILE 77 H ILE 77 -13.318 5.058 -0.703 594 HA ILE 77 HA ILE 77 -11.787 3.475 -2.635 595 HB ILE 77 HB ILE 77 -10.385 4.623 -1.056 596 HG12 ILE 77 1HG1 ILE 77 -10.548 1.695 -0.309 597 HG13 ILE 77 2HG1 ILE 77 -9.727 2.337 -1.727 598 HG21 ILE 77 1HG2 ILE 77 -11.967 3.266 1.121 599 HG22 ILE 77 2HG2 ILE 77 -11.987 4.986 0.729 600 HG23 ILE 77 3HG2 ILE 77 -10.518 4.243 1.361 601 HD11 ILE 77 3HD1 ILE 77 -9.007 2.908 1.140 602 HD12 ILE 77 1HD1 ILE 77 -8.181 3.549 -0.280 603 HD13 ILE 77 2HD1 ILE 77 -8.155 1.816 0.047 604 H VAL 78 H VAL 78 -12.391 1.478 -3.048 605 HA VAL 78 HA VAL 78 -14.376 0.204 -1.323 606 HB VAL 78 HB VAL 78 -13.374 -0.683 -4.032 607 HG11 VAL 78 1HG1 VAL 78 -14.371 -2.482 -2.746 608 HG12 VAL 78 2HG1 VAL 78 -15.424 -2.026 -4.085 609 HG13 VAL 78 3HG1 VAL 78 -15.802 -1.497 -2.446 610 HG21 VAL 78 3HG2 VAL 78 -14.405 1.506 -4.206 611 HG22 VAL 78 1HG2 VAL 78 -15.823 0.929 -3.331 612 HG23 VAL 78 2HG2 VAL 78 -15.445 0.278 -4.926 613 H GLU 79 H GLU 79 -11.253 -0.494 -2.837 614 HA GLU 79 HA GLU 79 -10.930 -2.729 -0.950 615 HB2 GLU 79 1HB GLU 79 -10.193 -2.492 -3.845 616 HB3 GLU 79 2HB GLU 79 -9.283 -3.567 -2.791 617 HG2 GLU 79 1HG GLU 79 -12.260 -3.681 -3.228 618 HG3 GLU 79 2HG GLU 79 -11.069 -4.718 -4.017 619 H ILE 80 H ILE 80 -8.965 -3.030 0.009 620 HA ILE 80 HA ILE 80 -6.790 -1.174 -0.631 621 HB ILE 80 HB ILE 80 -8.067 -0.266 1.316 622 HG12 ILE 80 1HG1 ILE 80 -5.283 -1.219 2.022 623 HG13 ILE 80 2HG1 ILE 80 -5.650 0.191 1.033 624 HG21 ILE 80 1HG2 ILE 80 -7.179 -2.792 2.694 625 HG22 ILE 80 2HG2 ILE 80 -8.836 -2.343 2.289 626 HG23 ILE 80 3HG2 ILE 80 -7.933 -1.405 3.479 627 HD11 ILE 80 3HD1 ILE 80 -5.093 0.837 3.299 628 HD12 ILE 80 1HD1 ILE 80 -6.388 -0.182 3.926 629 HD13 ILE 80 2HD1 ILE 80 -6.775 1.227 2.939 630 H SER 81 H SER 81 -7.406 -3.923 -1.237 631 HA SER 81 HA SER 81 -5.836 -5.616 0.494 632 HB2 SER 81 1HB SER 81 -7.111 -6.276 -2.170 633 HB3 SER 81 2HB SER 81 -6.601 -7.414 -0.921 634 HG SER 81 HG SER 81 -8.966 -6.243 -1.190 635 HA PRO 82 HA PRO 82 -4.598 -7.461 0.450 636 HB2 PRO 82 1HB PRO 82 -1.775 -7.298 1.151 637 HB3 PRO 82 2HB PRO 82 -2.696 -8.685 0.564 638 HG2 PRO 82 1HG PRO 82 -0.794 -7.450 -0.923 639 HG3 PRO 82 2HG PRO 82 -2.211 -8.244 -1.636 640 HD2 PRO 82 1HD PRO 82 -1.731 -5.330 -1.117 641 HD3 PRO 82 2HD PRO 82 -2.454 -6.117 -2.538 642 H ARG 83 H ARG 83 -5.244 -6.966 2.429 643 HA ARG 83 HA ARG 83 -4.789 -4.314 3.442 644 HB2 ARG 83 1HB ARG 83 -6.349 -6.643 4.578 645 HB3 ARG 83 2HB ARG 83 -6.392 -4.995 5.199 646 HG2 ARG 83 1HG ARG 83 -7.407 -4.188 3.202 647 HG3 ARG 83 2HG ARG 83 -7.159 -5.733 2.387 648 HD2 ARG 83 1HD ARG 83 -8.864 -5.395 4.843 649 HD3 ARG 83 2HD ARG 83 -9.495 -5.303 3.200 650 HE ARG 83 HE ARG 83 -8.019 -7.708 3.674 651 HH11 ARG 83 1HH1 ARG 83 -11.135 -6.164 4.103 652 HH12 ARG 83 2HH1 ARG 83 -12.017 -7.665 4.154 653 HH21 ARG 83 1HH2 ARG 83 -9.162 -9.685 3.738 654 HH22 ARG 83 2HH2 ARG 83 -10.895 -9.668 3.933 655 H VAL 84 H VAL 84 -4.159 -7.599 4.657 656 HA VAL 84 HA VAL 84 -2.177 -6.439 6.504 657 HB VAL 84 HB VAL 84 -3.587 -9.108 6.732 658 HG11 VAL 84 1HG1 VAL 84 -2.569 -9.206 8.964 659 HG12 VAL 84 2HG1 VAL 84 -1.699 -7.708 8.626 660 HG13 VAL 84 3HG1 VAL 84 -1.351 -9.161 7.689 661 HG21 VAL 84 3HG2 VAL 84 -3.984 -6.563 8.301 662 HG22 VAL 84 1HG2 VAL 84 -4.746 -8.114 8.653 663 HG23 VAL 84 2HG2 VAL 84 -5.120 -7.268 7.151 664 H VAL 85 H VAL 85 -0.141 -6.758 5.931 665 HA VAL 85 HA VAL 85 0.492 -9.137 4.313 666 HB VAL 85 HB VAL 85 2.309 -7.850 3.245 667 HG11 VAL 85 1HG1 VAL 85 -0.423 -6.612 2.946 668 HG12 VAL 85 2HG1 VAL 85 0.166 -8.053 2.117 669 HG13 VAL 85 3HG1 VAL 85 0.897 -6.482 1.783 670 HG21 VAL 85 3HG2 VAL 85 2.685 -6.187 4.989 671 HG22 VAL 85 1HG2 VAL 85 1.102 -5.478 4.668 672 HG23 VAL 85 2HG2 VAL 85 2.365 -5.409 3.438 673 H THR 86 H THR 86 2.370 -10.237 4.781 674 HA THR 86 HA THR 86 3.582 -9.570 7.367 675 HB THR 86 HB THR 86 3.957 -12.128 5.796 676 HG1 THR 86 HG1 THR 86 2.061 -11.675 7.899 677 HG21 THR 86 3HG2 THR 86 4.543 -13.059 7.972 678 HG22 THR 86 1HG2 THR 86 4.235 -11.501 8.740 679 HG23 THR 86 2HG2 THR 86 5.570 -11.674 7.601 680 H LEU 87 H LEU 87 5.222 -8.183 7.064 681 HA LEU 87 HA LEU 87 6.872 -8.392 4.660 682 HB2 LEU 87 1HB LEU 87 6.734 -6.254 6.786 683 HB3 LEU 87 2HB LEU 87 7.754 -6.189 5.363 684 HG LEU 87 HG LEU 87 4.735 -6.239 5.341 685 HD11 LEU 87 1HD1 LEU 87 5.626 -4.141 6.207 686 HD12 LEU 87 2HD1 LEU 87 4.918 -3.919 4.607 687 HD13 LEU 87 3HD1 LEU 87 6.670 -3.992 4.793 688 HD21 LEU 87 3HD2 LEU 87 4.968 -5.756 2.955 689 HD22 LEU 87 1HD2 LEU 87 5.702 -7.306 3.370 690 HD23 LEU 87 2HD2 LEU 87 6.721 -5.892 3.096 691 H GLN 88 H GLN 88 9.105 -8.590 4.721 692 HA GLN 88 HA GLN 88 10.112 -9.868 7.151 693 HB2 GLN 88 1HB GLN 88 10.232 -10.920 4.801 694 HB3 GLN 88 2HB GLN 88 11.513 -9.757 4.489 695 HG2 GLN 88 1HG GLN 88 12.724 -10.676 6.464 696 HG3 GLN 88 2HG GLN 88 11.491 -11.934 6.562 697 HE21 GLN 88 2HE2 GLN 88 14.235 -10.733 4.864 698 HE22 GLN 88 1HE2 GLN 88 14.440 -12.099 3.806 699 H LEU 89 H LEU 89 11.476 -8.848 8.445 700 HA LEU 89 HA LEU 89 12.893 -6.480 7.414 701 HB2 LEU 89 1HB LEU 89 11.879 -7.052 10.198 702 HB3 LEU 89 2HB LEU 89 12.883 -5.678 9.774 703 HG LEU 89 HG LEU 89 10.160 -6.194 8.588 704 HD11 LEU 89 1HD1 LEU 89 9.365 -4.416 10.064 705 HD12 LEU 89 2HD1 LEU 89 10.956 -4.326 10.818 706 HD13 LEU 89 3HD1 LEU 89 9.980 -5.785 10.990 707 HD21 LEU 89 3HD2 LEU 89 11.631 -4.851 7.188 708 HD22 LEU 89 1HD2 LEU 89 11.952 -3.771 8.545 709 HD23 LEU 89 2HD2 LEU 89 10.330 -3.869 7.860 710 H GLU 90 H GLU 90 15.019 -6.427 7.560 711 HA GLU 90 HA GLU 90 16.383 -8.708 8.795 712 HB2 GLU 90 1HB GLU 90 17.208 -6.703 6.696 713 HB3 GLU 90 2HB GLU 90 18.363 -7.782 7.460 714 HG2 GLU 90 1HG GLU 90 17.667 -8.640 5.310 715 HG3 GLU 90 2HG GLU 90 17.145 -9.710 6.606 716 H HIS 91 H HIS 91 18.188 -8.416 10.138 717 HA HIS 91 HA HIS 91 18.081 -6.230 11.941 718 HB2 HIS 91 1HB HIS 91 19.967 -8.516 11.519 719 HB3 HIS 91 2HB HIS 91 20.459 -7.188 12.560 720 HD1 HIS 91 HD1 HIS 91 19.290 -6.963 14.835 721 HD2 HIS 91 HD2 HIS 91 17.939 -10.159 12.544 722 HE1 HIS 91 HE1 HIS 91 17.981 -8.417 16.411 723 HE2 HIS 91 HE2 HIS 91 17.323 -10.432 15.044 724 H HIS 92 H HIS 92 18.497 -4.230 11.166 725 HA HIS 92 HA HIS 92 21.052 -3.835 9.764 726 HB2 HIS 92 1HB HIS 92 19.111 -2.905 8.582 727 HB3 HIS 92 2HB HIS 92 18.682 -1.962 10.006 728 HD1 HIS 92 HD1 HIS 92 21.884 -2.321 7.932 729 HD2 HIS 92 HD2 HIS 92 19.456 0.591 9.656 730 HE1 HIS 92 HE1 HIS 92 22.956 -0.115 7.372 731 HE2 HIS 92 HE2 HIS 92 21.577 1.614 8.582 732 H HIS 93 H HIS 93 22.683 -3.237 10.986 733 HA HIS 93 HA HIS 93 22.164 -2.188 13.654 734 HB2 HIS 93 1HB HIS 93 24.834 -2.805 12.372 735 HB3 HIS 93 2HB HIS 93 24.506 -2.580 14.087 736 HD1 HIS 93 HD1 HIS 93 23.943 -5.031 11.277 737 HD2 HIS 93 HD2 HIS 93 23.657 -4.844 15.428 738 HE1 HIS 93 HE1 HIS 93 23.551 -7.398 12.042 739 HE2 HIS 93 HE2 HIS 93 23.497 -7.279 14.560 740 H HIS 94 H HIS 94 24.755 -1.303 11.410 741 HA HIS 94 HA HIS 94 23.707 1.263 10.803 742 HB2 HIS 94 1HB HIS 94 24.638 1.413 13.262 743 HB3 HIS 94 2HB HIS 94 26.202 1.484 12.452 744 HD1 HIS 94 HD1 HIS 94 26.951 3.794 11.886 745 HD2 HIS 94 HD2 HIS 94 22.808 3.509 12.159 746 HE1 HIS 94 HE1 HIS 94 26.082 6.130 11.542 747 HE2 HIS 94 HE2 HIS 94 23.585 5.957 11.854 748 H HIS 95 H HIS 95 26.488 -0.875 11.032 749 HA HIS 95 HA HIS 95 27.657 0.278 8.614 750 HB2 HIS 95 1HB HIS 95 29.137 -0.359 10.501 751 HB3 HIS 95 2HB HIS 95 28.597 -2.025 10.346 752 HD1 HIS 95 HD1 HIS 95 30.819 0.525 8.766 753 HD2 HIS 95 HD2 HIS 95 29.735 -3.456 8.217 754 HE1 HIS 95 HE1 HIS 95 32.484 -0.417 7.131 755 HE2 HIS 95 HE2 HIS 95 31.922 -2.868 6.961 756 H HIS 96 H HIS 96 25.911 -2.514 9.763 757 HA HIS 96 HA HIS 96 25.287 -3.186 6.994 758 HB2 HIS 96 1HB HIS 96 27.141 -4.709 7.758 759 HB3 HIS 96 2HB HIS 96 26.058 -5.312 9.008 760 HD1 HIS 96 HD1 HIS 96 24.292 -7.016 8.316 761 HD2 HIS 96 HD2 HIS 96 26.430 -5.454 5.106 762 HE1 HIS 96 HE1 HIS 96 23.673 -8.429 6.333 763 HE2 HIS 96 HE2 HIS 96 25.154 -7.613 4.470 Start of MODEL 8 1 H1 SER 1 1H SER 1 1.296 -5.475 -20.620 2 H2 SER 1 2H SER 1 2.219 -4.319 -21.453 3 H3 SER 1 3H SER 1 0.545 -4.108 -21.285 4 HA SER 1 HA SER 1 2.481 -4.155 -19.054 5 HB2 SER 1 1HB SER 1 1.867 -1.677 -18.941 6 HB3 SER 1 2HB SER 1 2.910 -2.162 -20.277 7 HG SER 1 HG SER 1 1.435 -1.122 -21.392 8 H SER 2 H SER 2 -0.663 -2.702 -19.862 9 HA SER 2 HA SER 2 -2.176 -4.349 -18.129 10 HB2 SER 2 1HB SER 2 -2.777 -2.560 -16.466 11 HB3 SER 2 2HB SER 2 -1.112 -3.125 -16.329 12 HG SER 2 HG SER 2 -0.384 -1.247 -17.033 13 H GLN 3 H GLN 3 -4.240 -2.526 -17.524 14 HA GLN 3 HA GLN 3 -4.901 -1.276 -20.084 15 HB2 GLN 3 1HB GLN 3 -7.233 -2.161 -19.896 16 HB3 GLN 3 2HB GLN 3 -6.024 -3.395 -20.218 17 HG2 GLN 3 1HG GLN 3 -6.071 -4.104 -17.915 18 HG3 GLN 3 2HG GLN 3 -7.174 -2.793 -17.502 19 HE21 GLN 3 2HE2 GLN 3 -8.735 -4.190 -16.740 20 HE22 GLN 3 1HE2 GLN 3 -9.695 -5.171 -17.789 21 H THR 4 H THR 4 -5.286 0.792 -19.690 22 HA THR 4 HA THR 4 -5.966 1.770 -17.095 23 HB THR 4 HB THR 4 -6.122 3.252 -19.729 24 HG1 THR 4 HG1 THR 4 -3.968 3.835 -19.312 25 HG21 THR 4 3HG2 THR 4 -5.759 5.241 -18.341 26 HG22 THR 4 1HG2 THR 4 -5.757 4.234 -16.893 27 HG23 THR 4 2HG2 THR 4 -7.225 4.389 -17.858 28 H LEU 5 H LEU 5 -7.904 1.303 -16.285 29 HA LEU 5 HA LEU 5 -10.191 0.722 -17.829 30 HB2 LEU 5 1HB LEU 5 -9.961 1.437 -14.905 31 HB3 LEU 5 2HB LEU 5 -11.388 0.761 -15.666 32 HG LEU 5 HG LEU 5 -8.710 -0.621 -15.456 33 HD11 LEU 5 1HD1 LEU 5 -11.285 -1.100 -13.963 34 HD12 LEU 5 2HD1 LEU 5 -9.809 -0.407 -13.290 35 HD13 LEU 5 3HD1 LEU 5 -9.822 -2.080 -13.848 36 HD21 LEU 5 3HD2 LEU 5 -9.957 -1.278 -17.448 37 HD22 LEU 5 1HD2 LEU 5 -11.375 -1.620 -16.457 38 HD23 LEU 5 2HD2 LEU 5 -9.912 -2.587 -16.267 39 H ASP 6 H ASP 6 -11.833 1.934 -18.525 40 HA ASP 6 HA ASP 6 -11.609 4.729 -18.724 41 HB2 ASP 6 1HB ASP 6 -12.861 3.609 -20.397 42 HB3 ASP 6 2HB ASP 6 -13.888 2.818 -19.208 43 H ARG 7 H ARG 7 -13.880 2.764 -16.822 44 HA ARG 7 HA ARG 7 -13.886 4.919 -14.810 45 HB2 ARG 7 1HB ARG 7 -16.168 3.003 -15.330 46 HB3 ARG 7 2HB ARG 7 -16.160 4.372 -14.228 47 HG2 ARG 7 1HG ARG 7 -15.934 5.881 -16.174 48 HG3 ARG 7 2HG ARG 7 -16.078 4.475 -17.233 49 HD2 ARG 7 1HD ARG 7 -18.126 5.575 -15.326 50 HD3 ARG 7 2HD ARG 7 -18.233 5.460 -17.081 51 HE ARG 7 HE ARG 7 -17.890 2.874 -16.091 52 HH11 ARG 7 1HH1 ARG 7 -20.278 5.438 -16.021 53 HH12 ARG 7 2HH1 ARG 7 -21.608 4.355 -15.713 54 HH21 ARG 7 1HH2 ARG 7 -19.630 1.455 -15.723 55 HH22 ARG 7 2HH2 ARG 7 -21.239 2.093 -15.553 56 H ASP 8 H ASP 8 -14.969 3.658 -12.702 57 HA ASP 8 HA ASP 8 -14.368 2.336 -10.936 58 HB2 ASP 8 1HB ASP 8 -14.310 0.337 -13.201 59 HB3 ASP 8 2HB ASP 8 -14.102 -0.125 -11.517 60 HA PRO 9 HA PRO 9 -9.924 2.708 -12.469 61 HB2 PRO 9 1HB PRO 9 -9.093 4.582 -10.653 62 HB3 PRO 9 2HB PRO 9 -9.749 4.966 -12.246 63 HG2 PRO 9 1HG PRO 9 -11.073 5.046 -9.580 64 HG3 PRO 9 2HG PRO 9 -11.268 6.131 -10.967 65 HD2 PRO 9 1HD PRO 9 -13.059 4.184 -10.318 66 HD3 PRO 9 2HD PRO 9 -12.804 4.763 -11.975 67 H THR 10 H THR 10 -8.960 0.904 -11.796 68 HA THR 10 HA THR 10 -8.661 0.351 -8.963 69 HB THR 10 HB THR 10 -7.545 -1.133 -11.359 70 HG1 THR 10 HG1 THR 10 -9.999 -1.013 -10.593 71 HG21 THR 10 3HG2 THR 10 -6.216 -1.505 -9.336 72 HG22 THR 10 1HG2 THR 10 -7.125 -2.954 -9.767 73 HG23 THR 10 2HG2 THR 10 -7.679 -1.927 -8.445 74 H LEU 11 H LEU 11 -7.319 1.760 -8.030 75 HA LEU 11 HA LEU 11 -5.029 2.800 -9.453 76 HB2 LEU 11 1HB LEU 11 -6.049 3.321 -6.661 77 HB3 LEU 11 2HB LEU 11 -4.694 4.155 -7.400 78 HG LEU 11 HG LEU 11 -7.522 4.218 -8.442 79 HD11 LEU 11 1HD1 LEU 11 -7.558 6.526 -7.618 80 HD12 LEU 11 2HD1 LEU 11 -5.970 6.285 -6.890 81 HD13 LEU 11 3HD1 LEU 11 -7.357 5.367 -6.305 82 HD21 LEU 11 3HD2 LEU 11 -6.704 6.024 -9.870 83 HD22 LEU 11 1HD2 LEU 11 -5.848 4.515 -10.185 84 HD23 LEU 11 2HD2 LEU 11 -5.075 5.786 -9.239 85 H THR 12 H THR 12 -3.080 2.025 -9.362 86 HA THR 12 HA THR 12 -2.448 -0.063 -7.420 87 HB THR 12 HB THR 12 -0.786 0.830 -9.784 88 HG1 THR 12 HG1 THR 12 -3.144 -0.279 -9.886 89 HG21 THR 12 3HG2 THR 12 0.201 -1.407 -9.586 90 HG22 THR 12 1HG2 THR 12 -0.822 -1.734 -8.186 91 HG23 THR 12 2HG2 THR 12 0.416 -0.481 -8.101 92 H LEU 13 H LEU 13 -2.061 1.103 -5.571 93 HA LEU 13 HA LEU 13 -0.257 3.393 -5.670 94 HB2 LEU 13 1HB LEU 13 -1.743 2.243 -3.306 95 HB3 LEU 13 2HB LEU 13 -0.932 3.797 -3.378 96 HG LEU 13 HG LEU 13 -3.404 3.011 -4.923 97 HD11 LEU 13 1HD1 LEU 13 -3.005 4.938 -2.642 98 HD12 LEU 13 2HD1 LEU 13 -3.832 3.382 -2.562 99 HD13 LEU 13 3HD1 LEU 13 -4.507 4.691 -3.533 100 HD21 LEU 13 3HD2 LEU 13 -3.453 5.338 -5.658 101 HD22 LEU 13 1HD2 LEU 13 -1.994 4.521 -6.218 102 HD23 LEU 13 2HD2 LEU 13 -1.912 5.631 -4.849 103 H SER 14 H SER 14 1.793 3.349 -4.983 104 HA SER 14 HA SER 14 3.009 0.837 -4.381 105 HB2 SER 14 1HB SER 14 4.195 3.623 -4.275 106 HB3 SER 14 2HB SER 14 5.097 2.106 -4.307 107 HG SER 14 HG SER 14 4.706 3.337 -6.376 108 H LEU 15 H LEU 15 3.757 0.062 -2.469 109 HA LEU 15 HA LEU 15 2.810 1.312 -0.033 110 HB2 LEU 15 1HB LEU 15 2.700 -1.159 -0.473 111 HB3 LEU 15 2HB LEU 15 4.449 -1.200 -0.389 112 HG LEU 15 HG LEU 15 4.281 -0.354 1.966 113 HD11 LEU 15 1HD1 LEU 15 2.124 -0.567 3.094 114 HD12 LEU 15 2HD1 LEU 15 1.353 -0.938 1.553 115 HD13 LEU 15 3HD1 LEU 15 2.071 0.651 1.821 116 HD21 LEU 15 3HD2 LEU 15 4.646 -2.713 1.473 117 HD22 LEU 15 1HD2 LEU 15 2.905 -2.966 1.345 118 HD23 LEU 15 2HD2 LEU 15 3.620 -2.520 2.895 119 H ILE 16 H ILE 16 4.041 2.549 1.288 120 HA ILE 16 HA ILE 16 6.925 2.636 0.694 121 HB ILE 16 HB ILE 16 6.883 5.041 1.321 122 HG12 ILE 16 1HG1 ILE 16 3.881 4.693 1.144 123 HG13 ILE 16 2HG1 ILE 16 4.787 5.011 2.621 124 HG21 ILE 16 1HG2 ILE 16 5.164 4.239 -1.022 125 HG22 ILE 16 2HG2 ILE 16 6.924 4.365 -1.006 126 HG23 ILE 16 3HG2 ILE 16 5.934 5.812 -0.809 127 HD11 ILE 16 3HD1 ILE 16 4.577 6.847 0.248 128 HD12 ILE 16 1HD1 ILE 16 5.488 7.168 1.724 129 HD13 ILE 16 2HD1 ILE 16 3.731 7.025 1.786 130 H ALA 17 H ALA 17 8.348 2.744 2.306 131 HA ALA 17 HA ALA 17 7.582 1.990 4.952 132 HB1 ALA 17 3HB ALA 17 10.235 2.952 3.886 133 HB2 ALA 17 1HB ALA 17 9.689 1.276 3.938 134 HB3 ALA 17 2HB ALA 17 9.967 2.160 5.439 135 H LYS 18 H LYS 18 6.635 3.396 6.315 136 HA LYS 18 HA LYS 18 7.012 6.233 6.026 137 HB2 LYS 18 1HB LYS 18 4.830 5.277 6.675 138 HB3 LYS 18 2HB LYS 18 5.543 4.693 8.173 139 HG2 LYS 18 1HG LYS 18 4.363 6.675 8.690 140 HG3 LYS 18 2HG LYS 18 6.081 7.075 8.735 141 HD2 LYS 18 1HD LYS 18 5.859 7.935 6.397 142 HD3 LYS 18 2HD LYS 18 4.117 7.687 6.529 143 HE2 LYS 18 1HE LYS 18 5.832 9.527 8.190 144 HE3 LYS 18 2HE LYS 18 4.612 9.989 7.006 145 HZ1 LYS 18 3HZ LYS 18 4.097 8.562 9.562 146 HZ2 LYS 18 1HZ LYS 18 2.916 8.999 8.425 147 HZ3 LYS 18 2HZ LYS 18 3.778 10.198 9.257 148 H ASN 19 H ASN 19 7.184 4.385 9.031 149 HA ASN 19 HA ASN 19 9.578 5.923 9.746 150 HB2 ASN 19 1HB ASN 19 7.633 6.379 11.208 151 HB3 ASN 19 2HB ASN 19 7.539 4.667 11.605 152 HD21 ASN 19 2HD2 ASN 19 7.863 5.031 13.793 153 HD22 ASN 19 1HD2 ASN 19 9.409 5.488 14.440 154 H THR 20 H THR 20 10.703 4.305 8.510 155 HA THR 20 HA THR 20 11.010 1.726 9.859 156 HB THR 20 HB THR 20 12.058 2.683 7.182 157 HG1 THR 20 HG1 THR 20 10.118 0.681 7.686 158 HG21 THR 20 3HG2 THR 20 12.181 -0.060 8.450 159 HG22 THR 20 1HG2 THR 20 13.554 1.013 8.182 160 HG23 THR 20 2HG2 THR 20 12.682 0.339 6.807 161 HA PRO 21 HA PRO 21 14.467 3.623 11.998 162 HB2 PRO 21 1HB PRO 21 14.886 0.829 12.884 163 HB3 PRO 21 2HB PRO 21 14.672 2.296 13.845 164 HG2 PRO 21 1HG PRO 21 12.727 0.478 13.661 165 HG3 PRO 21 2HG PRO 21 12.363 2.213 13.701 166 HD2 PRO 21 1HD PRO 21 12.419 0.341 11.366 167 HD3 PRO 21 2HD PRO 21 11.272 1.645 11.737 168 H ALA 22 H ALA 22 16.723 3.525 11.936 169 HA ALA 22 HA ALA 22 17.813 2.630 9.472 170 HB1 ALA 22 3HB ALA 22 18.580 4.660 10.604 171 HB2 ALA 22 1HB ALA 22 19.911 3.550 10.279 172 HB3 ALA 22 2HB ALA 22 19.247 3.676 11.907 173 H ASN 23 H ASN 23 17.129 0.877 12.176 174 HA ASN 23 HA ASN 23 19.373 -0.973 11.770 175 HB2 ASN 23 1HB ASN 23 17.419 -0.649 14.044 176 HB3 ASN 23 2HB ASN 23 18.430 -2.080 13.878 177 HD21 ASN 23 2HD2 ASN 23 18.387 -0.059 15.973 178 HD22 ASN 23 1HD2 ASN 23 19.995 0.580 16.047 179 H SER 24 H SER 24 16.356 -0.451 10.648 180 HA SER 24 HA SER 24 15.707 -3.307 10.419 181 HB2 SER 24 1HB SER 24 13.922 -0.903 9.938 182 HB3 SER 24 2HB SER 24 13.425 -2.593 9.891 183 HG SER 24 HG SER 24 12.943 -2.117 11.914 184 H MET 25 H MET 25 16.306 -4.199 8.566 185 HA MET 25 HA MET 25 16.636 -2.442 6.231 186 HB2 MET 25 1HB MET 25 18.693 -3.537 7.012 187 HB3 MET 25 2HB MET 25 17.934 -5.109 6.803 188 HG2 MET 25 1HG MET 25 17.784 -4.771 4.420 189 HG3 MET 25 2HG MET 25 18.412 -3.133 4.583 190 HE1 MET 25 3HE MET 25 19.603 -6.366 6.496 191 HE2 MET 25 1HE MET 25 20.892 -6.935 5.435 192 HE3 MET 25 2HE MET 25 19.217 -6.963 4.882 193 H ILE 26 H ILE 26 15.146 -2.582 4.765 194 HA ILE 26 HA ILE 26 13.419 -4.934 4.604 195 HB ILE 26 HB ILE 26 13.209 -2.434 2.929 196 HG12 ILE 26 1HG1 ILE 26 11.878 -2.892 5.606 197 HG13 ILE 26 2HG1 ILE 26 13.302 -1.880 5.381 198 HG21 ILE 26 1HG2 ILE 26 11.182 -4.477 3.831 199 HG22 ILE 26 2HG2 ILE 26 11.872 -4.333 2.214 200 HG23 ILE 26 3HG2 ILE 26 10.835 -3.054 2.848 201 HD11 ILE 26 3HD1 ILE 26 10.606 -1.442 4.120 202 HD12 ILE 26 1HD1 ILE 26 12.031 -0.428 3.891 203 HD13 ILE 26 2HD1 ILE 26 11.281 -0.547 5.483 204 H MET 27 H MET 27 14.421 -6.537 3.469 205 HA MET 27 HA MET 27 15.987 -5.888 1.115 206 HB2 MET 27 1HB MET 27 15.393 -8.488 2.518 207 HB3 MET 27 2HB MET 27 16.280 -8.409 1.002 208 HG2 MET 27 1HG MET 27 17.969 -6.996 2.066 209 HG3 MET 27 2HG MET 27 17.081 -7.089 3.585 210 HE1 MET 27 3HE MET 27 18.995 -9.182 0.849 211 HE2 MET 27 1HE MET 27 17.459 -10.030 1.016 212 HE3 MET 27 2HE MET 27 18.951 -10.794 1.564 213 H THR 28 H THR 28 12.883 -7.302 1.904 214 HA THR 28 HA THR 28 12.284 -7.961 -0.837 215 HB THR 28 HB THR 28 10.434 -7.796 1.554 216 HG1 THR 28 HG1 THR 28 12.158 -9.371 1.732 217 HG21 THR 28 3HG2 THR 28 10.076 -9.136 -1.132 218 HG22 THR 28 1HG2 THR 28 9.238 -7.686 -0.578 219 HG23 THR 28 2HG2 THR 28 8.951 -9.231 0.223 220 H LYS 29 H LYS 29 11.762 -6.462 -2.303 221 HA LYS 29 HA LYS 29 11.264 -3.767 -1.723 222 HB2 LYS 29 1HB LYS 29 12.069 -4.490 -3.911 223 HB3 LYS 29 2HB LYS 29 10.570 -5.360 -4.199 224 HG2 LYS 29 1HG LYS 29 9.343 -3.231 -4.163 225 HG3 LYS 29 2HG LYS 29 10.867 -2.375 -3.924 226 HD2 LYS 29 1HD LYS 29 11.689 -3.195 -6.061 227 HD3 LYS 29 2HD LYS 29 10.209 -4.128 -6.291 228 HE2 LYS 29 1HE LYS 29 8.911 -2.050 -6.311 229 HE3 LYS 29 2HE LYS 29 10.394 -1.123 -6.088 230 HZ1 LYS 29 3HZ LYS 29 9.715 -1.165 -8.406 231 HZ2 LYS 29 1HZ LYS 29 9.774 -2.861 -8.421 232 HZ3 LYS 29 2HZ LYS 29 11.198 -1.964 -8.205 233 H LEU 30 H LEU 30 9.520 -2.774 -1.000 234 HA LEU 30 HA LEU 30 7.180 -4.101 -0.257 235 HB2 LEU 30 1HB LEU 30 7.569 -1.147 -0.750 236 HB3 LEU 30 2HB LEU 30 6.256 -1.869 0.161 237 HG LEU 30 HG LEU 30 9.176 -1.927 0.931 238 HD11 LEU 30 1HD1 LEU 30 8.179 0.275 1.193 239 HD12 LEU 30 2HD1 LEU 30 8.475 -0.469 2.765 240 HD13 LEU 30 3HD1 LEU 30 6.841 -0.426 2.104 241 HD21 LEU 30 3HD2 LEU 30 6.746 -2.969 2.380 242 HD22 LEU 30 1HD2 LEU 30 8.382 -2.899 3.034 243 HD23 LEU 30 2HD2 LEU 30 8.026 -3.944 1.657 244 HA PRO 31 HA PRO 31 5.315 -4.404 -4.294 245 HB2 PRO 31 1HB PRO 31 2.938 -5.359 -2.879 246 HB3 PRO 31 2HB PRO 31 3.987 -6.220 -4.006 247 HG2 PRO 31 1HG PRO 31 3.918 -6.783 -1.364 248 HG3 PRO 31 2HG PRO 31 5.383 -6.967 -2.343 249 HD2 PRO 31 1HD PRO 31 4.626 -4.774 -0.452 250 HD3 PRO 31 2HD PRO 31 6.204 -5.548 -0.713 251 H SER 32 H SER 32 3.002 -3.925 -5.161 252 HA SER 32 HA SER 32 2.148 -1.343 -4.053 253 HB2 SER 32 1HB SER 32 1.173 -1.007 -6.375 254 HB3 SER 32 2HB SER 32 2.933 -1.056 -6.290 255 HG SER 32 HG SER 32 2.834 -2.633 -7.658 256 H VAL 33 H VAL 33 -0.046 -0.938 -3.744 257 HA VAL 33 HA VAL 33 -1.680 -3.360 -3.540 258 HB VAL 33 HB VAL 33 -3.161 -2.113 -2.089 259 HG11 VAL 33 1HG1 VAL 33 -1.229 -3.138 -1.051 260 HG12 VAL 33 2HG1 VAL 33 -1.632 -1.630 -0.230 261 HG13 VAL 33 3HG1 VAL 33 -0.270 -1.688 -1.350 262 HG21 VAL 33 3HG2 VAL 33 -3.046 0.067 -3.167 263 HG22 VAL 33 1HG2 VAL 33 -1.387 0.271 -2.605 264 HG23 VAL 33 2HG2 VAL 33 -2.710 0.204 -1.440 265 H ARG 34 H ARG 34 -3.590 -3.598 -4.595 266 HA ARG 34 HA ARG 34 -4.163 -1.594 -6.673 267 HB2 ARG 34 1HB ARG 34 -4.642 -4.573 -6.605 268 HB3 ARG 34 2HB ARG 34 -5.322 -3.515 -7.834 269 HG2 ARG 34 1HG ARG 34 -3.194 -2.988 -8.701 270 HG3 ARG 34 2HG ARG 34 -2.373 -3.688 -7.305 271 HD2 ARG 34 1HD ARG 34 -4.035 -5.238 -9.286 272 HD3 ARG 34 2HD ARG 34 -2.276 -5.123 -9.322 273 HE ARG 34 HE ARG 34 -3.319 -6.047 -6.804 274 HH11 ARG 34 1HH1 ARG 34 -2.374 -7.049 -10.022 275 HH12 ARG 34 2HH1 ARG 34 -1.971 -8.667 -9.527 276 HH21 ARG 34 1HH2 ARG 34 -2.809 -8.163 -6.167 277 HH22 ARG 34 2HH2 ARG 34 -2.224 -9.301 -7.341 278 H VAL 35 H VAL 35 -5.631 -0.291 -5.744 279 HA VAL 35 HA VAL 35 -7.852 -1.539 -4.284 280 HB VAL 35 HB VAL 35 -8.281 0.658 -3.303 281 HG11 VAL 35 1HG1 VAL 35 -5.363 -0.053 -3.075 282 HG12 VAL 35 2HG1 VAL 35 -6.670 -0.908 -2.263 283 HG13 VAL 35 3HG1 VAL 35 -6.351 0.782 -1.876 284 HG21 VAL 35 3HG2 VAL 35 -6.730 2.526 -3.660 285 HG22 VAL 35 1HG2 VAL 35 -7.565 2.079 -5.147 286 HG23 VAL 35 2HG2 VAL 35 -5.890 1.587 -4.894 287 H LYS 36 H LYS 36 -9.963 -1.178 -4.831 288 HA LYS 36 HA LYS 36 -10.421 -0.055 -7.486 289 HB2 LYS 36 1HB LYS 36 -11.417 -2.252 -6.970 290 HB3 LYS 36 2HB LYS 36 -12.288 -1.543 -5.617 291 HG2 LYS 36 1HG LYS 36 -13.456 -0.056 -7.246 292 HG3 LYS 36 2HG LYS 36 -12.688 -0.972 -8.544 293 HD2 LYS 36 1HD LYS 36 -13.763 -3.012 -7.764 294 HD3 LYS 36 2HD LYS 36 -14.489 -2.132 -6.418 295 HE2 LYS 36 1HE LYS 36 -16.160 -2.359 -8.096 296 HE3 LYS 36 2HE LYS 36 -15.635 -0.676 -8.104 297 HZ1 LYS 36 3HZ LYS 36 -15.018 -2.801 -10.067 298 HZ2 LYS 36 1HZ LYS 36 -14.085 -1.389 -9.968 299 HZ3 LYS 36 2HZ LYS 36 -15.736 -1.283 -10.336 300 H THR 37 H THR 37 -11.302 1.920 -7.761 301 HA THR 37 HA THR 37 -12.599 3.142 -5.423 302 HB THR 37 HB THR 37 -11.854 5.366 -6.366 303 HG1 THR 37 HG1 THR 37 -10.314 3.617 -7.997 304 HG21 THR 37 3HG2 THR 37 -9.580 5.197 -5.441 305 HG22 THR 37 1HG2 THR 37 -9.710 3.438 -5.466 306 HG23 THR 37 2HG2 THR 37 -10.767 4.385 -4.421 307 H GLU 38 H GLU 38 -14.157 4.872 -6.003 308 HA GLU 38 HA GLU 38 -15.646 4.136 -8.442 309 HB2 GLU 38 1HB GLU 38 -16.580 3.237 -6.255 310 HB3 GLU 38 2HB GLU 38 -16.872 4.905 -5.789 311 HG2 GLU 38 1HG GLU 38 -18.247 5.095 -7.918 312 HG3 GLU 38 2HG GLU 38 -18.152 3.335 -7.997 313 H GLY 39 H GLY 39 -16.609 5.816 -9.557 314 HA2 GLY 39 1HA GLY 39 -17.557 8.159 -9.119 315 HA3 GLY 39 2HA GLY 39 -15.907 8.517 -8.632 316 H TYR 40 H TYR 40 -14.729 9.455 -10.115 317 HA TYR 40 HA TYR 40 -15.010 8.722 -12.924 318 HB2 TYR 40 1HB TYR 40 -16.573 10.571 -12.651 319 HB3 TYR 40 2HB TYR 40 -15.340 11.536 -11.852 320 HD1 TYR 40 HD2 TYR 40 -15.677 9.655 -15.082 321 HD2 TYR 40 HD1 TYR 40 -14.469 13.228 -13.111 322 HE1 TYR 40 HE2 TYR 40 -15.049 10.637 -17.249 323 HE2 TYR 40 HE1 TYR 40 -13.839 14.216 -15.268 324 HH TYR 40 HH TYR 40 -14.741 12.827 -18.258 325 H ASN 41 H ASN 41 -13.063 8.726 -13.947 326 HA ASN 41 HA ASN 41 -10.811 9.828 -12.406 327 HB2 ASN 41 1HB ASN 41 -9.473 7.879 -13.373 328 HB3 ASN 41 2HB ASN 41 -10.632 7.506 -12.104 329 HD21 ASN 41 2HD2 ASN 41 -9.785 7.072 -15.419 330 HD22 ASN 41 1HD2 ASN 41 -11.014 5.915 -15.800 331 HA PRO 42 HA PRO 42 -10.083 11.640 -16.489 332 HB2 PRO 42 1HB PRO 42 -9.713 14.176 -15.639 333 HB3 PRO 42 2HB PRO 42 -11.315 13.499 -15.940 334 HG2 PRO 42 1HG PRO 42 -9.984 14.110 -13.380 335 HG3 PRO 42 2HG PRO 42 -11.710 13.998 -13.753 336 HD2 PRO 42 1HD PRO 42 -10.059 12.033 -12.503 337 HD3 PRO 42 2HD PRO 42 -11.768 11.887 -12.955 338 H SER 43 H SER 43 -8.368 12.655 -13.510 339 HA SER 43 HA SER 43 -5.831 11.874 -14.579 340 HB2 SER 43 1HB SER 43 -6.212 14.070 -15.700 341 HB3 SER 43 2HB SER 43 -6.334 14.825 -14.113 342 HG SER 43 HG SER 43 -4.175 14.533 -15.465 343 H ILE 44 H ILE 44 -5.526 10.698 -12.767 344 HA ILE 44 HA ILE 44 -5.312 12.192 -10.231 345 HB ILE 44 HB ILE 44 -5.988 9.276 -10.672 346 HG12 ILE 44 1HG1 ILE 44 -7.929 9.999 -9.102 347 HG13 ILE 44 2HG1 ILE 44 -7.495 11.636 -9.577 348 HG21 ILE 44 1HG2 ILE 44 -5.395 10.675 -8.070 349 HG22 ILE 44 2HG2 ILE 44 -4.407 9.434 -8.840 350 HG23 ILE 44 3HG2 ILE 44 -6.014 9.031 -8.235 351 HD11 ILE 44 3HD1 ILE 44 -8.340 9.423 -11.430 352 HD12 ILE 44 1HD1 ILE 44 -7.900 11.060 -11.914 353 HD13 ILE 44 2HD1 ILE 44 -9.328 10.789 -10.914 354 H ASN 45 H ASN 45 -3.300 12.363 -9.423 355 HA ASN 45 HA ASN 45 -1.134 11.042 -10.779 356 HB2 ASN 45 1HB ASN 45 -0.942 13.396 -10.015 357 HB3 ASN 45 2HB ASN 45 -1.009 12.834 -8.346 358 HD21 ASN 45 2HD2 ASN 45 1.055 13.742 -7.978 359 HD22 ASN 45 1HD2 ASN 45 2.490 12.955 -8.546 360 H VAL 46 H VAL 46 -1.219 8.917 -10.386 361 HA VAL 46 HA VAL 46 -1.636 7.732 -7.846 362 HB VAL 46 HB VAL 46 -0.255 6.466 -10.217 363 HG11 VAL 46 1HG1 VAL 46 -1.211 4.387 -9.323 364 HG12 VAL 46 2HG1 VAL 46 -1.863 5.290 -7.954 365 HG13 VAL 46 3HG1 VAL 46 -0.118 5.163 -8.176 366 HG21 VAL 46 3HG2 VAL 46 -3.212 6.681 -9.658 367 HG22 VAL 46 1HG2 VAL 46 -2.478 5.715 -10.937 368 HG23 VAL 46 2HG2 VAL 46 -2.336 7.473 -10.967 369 H ASN 47 H ASN 47 1.079 9.187 -9.317 370 HA ASN 47 HA ASN 47 3.055 7.762 -7.767 371 HB2 ASN 47 1HB ASN 47 3.304 10.243 -9.482 372 HB3 ASN 47 2HB ASN 47 4.653 9.384 -8.744 373 HD21 ASN 47 2HD2 ASN 47 5.222 7.334 -9.532 374 HD22 ASN 47 1HD2 ASN 47 4.710 6.797 -11.096 375 H GLU 48 H GLU 48 0.786 9.854 -6.872 376 HA GLU 48 HA GLU 48 2.512 11.056 -4.813 377 HB2 GLU 48 1HB GLU 48 1.396 12.680 -6.386 378 HB3 GLU 48 2HB GLU 48 -0.146 12.142 -5.735 379 HG2 GLU 48 1HG GLU 48 0.439 12.931 -3.546 380 HG3 GLU 48 2HG GLU 48 2.066 13.340 -4.089 381 H LEU 49 H LEU 49 -0.517 9.434 -5.539 382 HA LEU 49 HA LEU 49 -1.267 9.213 -2.762 383 HB2 LEU 49 1HB LEU 49 -2.280 7.689 -5.164 384 HB3 LEU 49 2HB LEU 49 -3.022 7.713 -3.575 385 HG LEU 49 HG LEU 49 -2.772 10.069 -5.445 386 HD11 LEU 49 1HD1 LEU 49 -5.160 8.445 -4.590 387 HD12 LEU 49 2HD1 LEU 49 -4.406 8.429 -6.185 388 HD13 LEU 49 3HD1 LEU 49 -5.203 9.889 -5.601 389 HD21 LEU 49 3HD2 LEU 49 -4.101 9.851 -2.743 390 HD22 LEU 49 1HD2 LEU 49 -4.167 11.248 -3.819 391 HD23 LEU 49 2HD2 LEU 49 -2.631 10.756 -3.106 392 H PHE 50 H PHE 50 -0.659 7.655 -1.356 393 HA PHE 50 HA PHE 50 0.709 5.294 -2.420 394 HB2 PHE 50 1HB PHE 50 1.831 7.199 -0.369 395 HB3 PHE 50 2HB PHE 50 2.448 5.569 -0.606 396 HD1 PHE 50 HD2 PHE 50 3.061 5.012 -3.126 397 HD2 PHE 50 HD1 PHE 50 2.880 8.919 -1.451 398 HE1 PHE 50 HE2 PHE 50 4.567 5.833 -4.890 399 HE2 PHE 50 HE1 PHE 50 4.385 9.748 -3.212 400 HZ PHE 50 HZ PHE 50 5.231 8.204 -4.933 401 H ALA 51 H ALA 51 1.131 3.653 -0.794 402 HA ALA 51 HA ALA 51 -0.870 3.626 1.363 403 HB1 ALA 51 3HB ALA 51 0.539 1.317 0.020 404 HB2 ALA 51 1HB ALA 51 -1.126 1.821 -0.270 405 HB3 ALA 51 2HB ALA 51 -0.659 1.188 1.308 406 H TYR 52 H TYR 52 -0.154 3.579 3.423 407 HA TYR 52 HA TYR 52 2.759 3.712 3.776 408 HB2 TYR 52 1HB TYR 52 0.522 4.745 5.534 409 HB3 TYR 52 2HB TYR 52 2.238 4.923 5.871 410 HD1 TYR 52 HD2 TYR 52 -0.399 5.841 3.412 411 HD2 TYR 52 HD1 TYR 52 3.426 6.754 5.032 412 HE1 TYR 52 HE2 TYR 52 -0.380 7.954 2.158 413 HE2 TYR 52 HE1 TYR 52 3.454 8.872 3.786 414 HH TYR 52 HH TYR 52 0.662 10.128 2.221 415 H VAL 53 H VAL 53 3.813 2.321 5.073 416 HA VAL 53 HA VAL 53 2.224 0.783 7.016 417 HB VAL 53 HB VAL 53 4.087 -0.975 6.855 418 HG11 VAL 53 1HG1 VAL 53 2.173 -0.615 4.553 419 HG12 VAL 53 2HG1 VAL 53 1.818 -1.384 6.100 420 HG13 VAL 53 3HG1 VAL 53 2.975 -2.122 4.993 421 HG21 VAL 53 3HG2 VAL 53 4.515 0.410 4.208 422 HG22 VAL 53 1HG2 VAL 53 5.202 -1.146 4.676 423 HG23 VAL 53 2HG2 VAL 53 5.671 0.319 5.537 424 H ASP 54 H ASP 54 2.862 0.955 9.076 425 HA ASP 54 HA ASP 54 5.129 2.708 9.588 426 HB2 ASP 54 1HB ASP 54 2.827 2.922 10.730 427 HB3 ASP 54 2HB ASP 54 3.331 1.543 11.705 428 H LEU 55 H LEU 55 6.897 1.497 9.230 429 HA LEU 55 HA LEU 55 7.114 -1.178 10.314 430 HB2 LEU 55 1HB LEU 55 8.825 0.504 8.506 431 HB3 LEU 55 2HB LEU 55 9.386 -1.032 9.141 432 HG LEU 55 HG LEU 55 6.824 -0.787 7.578 433 HD11 LEU 55 1HD1 LEU 55 8.656 0.010 6.173 434 HD12 LEU 55 2HD1 LEU 55 8.072 -1.563 5.631 435 HD13 LEU 55 3HD1 LEU 55 9.578 -1.448 6.542 436 HD21 LEU 55 3HD2 LEU 55 8.645 -3.089 8.254 437 HD22 LEU 55 1HD2 LEU 55 7.207 -3.188 7.239 438 HD23 LEU 55 2HD2 LEU 55 7.053 -2.773 8.944 439 H SER 56 H SER 56 6.976 0.866 12.277 440 HA SER 56 HA SER 56 9.557 1.466 13.298 441 HB2 SER 56 1HB SER 56 8.257 1.909 15.443 442 HB3 SER 56 2HB SER 56 7.755 2.841 14.033 443 HG SER 56 HG SER 56 5.898 1.801 13.969 444 H GLY 57 H GLY 57 7.453 -1.269 13.445 445 HA2 GLY 57 1HA GLY 57 8.523 -2.675 15.615 446 HA3 GLY 57 2HA GLY 57 7.798 -3.409 14.187 447 H SER 58 H SER 58 10.566 -3.159 15.960 448 HA SER 58 HA SER 58 12.387 -3.286 13.672 449 HB2 SER 58 1HB SER 58 13.072 -3.131 16.611 450 HB3 SER 58 2HB SER 58 14.132 -2.792 15.240 451 HG SER 58 HG SER 58 11.818 -1.309 15.236 452 H GLU 59 H GLU 59 10.582 -5.476 14.514 453 HA GLU 59 HA GLU 59 12.364 -7.513 15.556 454 HB2 GLU 59 1HB GLU 59 9.503 -7.703 14.606 455 HB3 GLU 59 2HB GLU 59 10.405 -8.999 15.375 456 HG2 GLU 59 1HG GLU 59 10.646 -7.523 17.377 457 HG3 GLU 59 2HG GLU 59 9.529 -6.401 16.598 458 HA PRO 60 HA PRO 60 13.561 -8.587 11.347 459 HB2 PRO 60 1HB PRO 60 15.121 -10.663 12.734 460 HB3 PRO 60 2HB PRO 60 15.679 -9.367 11.672 461 HG2 PRO 60 1HG PRO 60 16.149 -9.337 14.320 462 HG3 PRO 60 2HG PRO 60 15.862 -7.851 13.398 463 HD2 PRO 60 1HD PRO 60 13.986 -9.378 15.164 464 HD3 PRO 60 2HD PRO 60 14.211 -7.622 15.011 465 H GLY 61 H GLY 61 12.789 -10.116 10.010 466 HA2 GLY 61 1HA GLY 61 12.294 -12.593 9.840 467 HA3 GLY 61 2HA GLY 61 11.262 -12.320 11.241 468 H GLU 62 H GLU 62 9.415 -12.979 10.117 469 HA GLU 62 HA GLU 62 8.512 -11.053 8.074 470 HB2 GLU 62 1HB GLU 62 7.689 -13.941 8.427 471 HB3 GLU 62 2HB GLU 62 7.066 -12.841 7.203 472 HG2 GLU 62 1HG GLU 62 9.302 -12.639 6.245 473 HG3 GLU 62 2HG GLU 62 9.923 -13.746 7.468 474 H HIS 63 H HIS 63 7.255 -9.630 9.050 475 HA HIS 63 HA HIS 63 5.272 -10.616 10.995 476 HB2 HIS 63 1HB HIS 63 6.894 -8.064 11.083 477 HB3 HIS 63 2HB HIS 63 5.479 -8.344 12.093 478 HD1 HIS 63 HD1 HIS 63 5.893 -9.452 14.273 479 HD2 HIS 63 HD2 HIS 63 9.028 -10.037 11.601 480 HE1 HIS 63 HE1 HIS 63 7.675 -10.664 15.570 481 HE2 HIS 63 HE2 HIS 63 9.463 -11.188 13.874 482 H ASP 64 H ASP 64 3.242 -9.557 10.996 483 HA ASP 64 HA ASP 64 2.503 -8.649 8.354 484 HB2 ASP 64 1HB ASP 64 0.801 -8.991 10.832 485 HB3 ASP 64 2HB ASP 64 0.195 -8.646 9.217 486 H TYR 65 H TYR 65 2.189 -6.635 7.732 487 HA TYR 65 HA TYR 65 1.643 -4.604 9.784 488 HB2 TYR 65 1HB TYR 65 3.416 -4.336 7.345 489 HB3 TYR 65 2HB TYR 65 2.839 -2.961 8.283 490 HD1 TYR 65 HD1 TYR 65 3.640 -2.592 10.569 491 HD2 TYR 65 HD2 TYR 65 5.155 -5.783 8.198 492 HE1 TYR 65 HE1 TYR 65 5.517 -2.855 12.134 493 HE2 TYR 65 HE2 TYR 65 7.037 -6.056 9.757 494 HH TYR 65 HH TYR 65 8.273 -4.584 11.437 495 H GLU 66 H GLU 66 -0.002 -3.186 9.295 496 HA GLU 66 HA GLU 66 -1.751 -4.210 7.208 497 HB2 GLU 66 1HB GLU 66 -2.238 -2.287 9.483 498 HB3 GLU 66 2HB GLU 66 -3.468 -2.760 8.315 499 HG2 GLU 66 1HG GLU 66 -3.374 -5.033 9.023 500 HG3 GLU 66 2HG GLU 66 -1.964 -4.719 10.029 501 H VAL 67 H VAL 67 -2.391 -3.151 5.459 502 HA VAL 67 HA VAL 67 -0.752 -1.013 4.534 503 HB VAL 67 HB VAL 67 -3.235 -2.211 3.290 504 HG11 VAL 67 1HG1 VAL 67 -1.082 -0.481 2.079 505 HG12 VAL 67 2HG1 VAL 67 -2.751 -0.003 2.390 506 HG13 VAL 67 3HG1 VAL 67 -2.400 -1.252 1.196 507 HG21 VAL 67 3HG2 VAL 67 -0.314 -2.813 2.831 508 HG22 VAL 67 1HG2 VAL 67 -1.657 -3.483 1.904 509 HG23 VAL 67 2HG2 VAL 67 -1.488 -3.870 3.617 510 H LYS 68 H LYS 68 -1.014 0.873 5.518 511 HA LYS 68 HA LYS 68 -3.679 1.948 5.993 512 HB2 LYS 68 1HB LYS 68 -2.033 2.128 7.781 513 HB3 LYS 68 2HB LYS 68 -0.916 2.951 6.705 514 HG2 LYS 68 1HG LYS 68 -2.375 4.868 6.594 515 HG3 LYS 68 2HG LYS 68 -3.588 4.033 7.570 516 HD2 LYS 68 1HD LYS 68 -2.084 3.954 9.452 517 HD3 LYS 68 2HD LYS 68 -0.779 4.636 8.483 518 HE2 LYS 68 1HE LYS 68 -1.994 6.716 8.257 519 HE3 LYS 68 2HE LYS 68 -3.371 6.034 9.125 520 HZ1 LYS 68 3HZ LYS 68 -1.847 7.476 10.464 521 HZ2 LYS 68 1HZ LYS 68 -0.666 6.269 10.319 522 HZ3 LYS 68 2HZ LYS 68 -2.129 5.935 11.114 523 H VAL 69 H VAL 69 -4.553 2.725 4.164 524 HA VAL 69 HA VAL 69 -2.862 3.933 2.131 525 HB VAL 69 HB VAL 69 -5.857 3.493 2.104 526 HG11 VAL 69 1HG1 VAL 69 -5.638 3.702 -0.330 527 HG12 VAL 69 2HG1 VAL 69 -3.924 4.068 -0.138 528 HG13 VAL 69 3HG1 VAL 69 -5.139 5.174 0.503 529 HG21 VAL 69 3HG2 VAL 69 -5.375 1.513 0.732 530 HG22 VAL 69 1HG2 VAL 69 -4.699 1.373 2.355 531 HG23 VAL 69 2HG2 VAL 69 -3.649 1.764 0.993 532 H GLU 70 H GLU 70 -2.934 6.076 1.498 533 HA GLU 70 HA GLU 70 -4.020 7.957 3.389 534 HB2 GLU 70 1HB GLU 70 -1.864 8.291 2.126 535 HB3 GLU 70 2HB GLU 70 -2.821 8.529 0.671 536 HG2 GLU 70 1HG GLU 70 -3.850 10.486 1.603 537 HG3 GLU 70 2HG GLU 70 -3.063 10.207 3.155 538 HA PRO 71 HA PRO 71 -8.095 7.737 1.579 539 HB2 PRO 71 1HB PRO 71 -8.437 10.226 3.167 540 HB3 PRO 71 2HB PRO 71 -9.413 8.753 3.155 541 HG2 PRO 71 1HG PRO 71 -7.773 9.266 5.184 542 HG3 PRO 71 2HG PRO 71 -7.952 7.616 4.558 543 HD2 PRO 71 1HD PRO 71 -5.742 9.584 4.117 544 HD3 PRO 71 2HD PRO 71 -5.654 7.829 4.373 545 H ILE 72 H ILE 72 -8.819 8.494 -0.280 546 HA ILE 72 HA ILE 72 -7.566 10.866 -1.429 547 HB ILE 72 HB ILE 72 -9.408 8.907 -2.805 548 HG12 ILE 72 1HG1 ILE 72 -6.383 8.828 -2.758 549 HG13 ILE 72 2HG1 ILE 72 -7.405 7.789 -1.769 550 HG21 ILE 72 1HG2 ILE 72 -8.285 9.717 -4.837 551 HG22 ILE 72 2HG2 ILE 72 -7.344 10.841 -3.856 552 HG23 ILE 72 3HG2 ILE 72 -9.095 11.020 -3.965 553 HD11 ILE 72 3HD1 ILE 72 -8.370 6.814 -3.781 554 HD12 ILE 72 1HD1 ILE 72 -6.615 6.636 -3.755 555 HD13 ILE 72 2HD1 ILE 72 -7.362 7.866 -4.776 556 HA PRO 73 HA PRO 73 -11.390 13.142 -0.707 557 HB2 PRO 73 1HB PRO 73 -10.118 15.240 -2.305 558 HB3 PRO 73 2HB PRO 73 -10.606 15.273 -0.611 559 HG2 PRO 73 1HG PRO 73 -8.013 15.242 -1.369 560 HG3 PRO 73 2HG PRO 73 -8.578 14.479 0.128 561 HD2 PRO 73 1HD PRO 73 -7.911 13.220 -2.506 562 HD3 PRO 73 2HD PRO 73 -7.545 12.654 -0.862 563 H ASN 74 H ASN 74 -13.190 13.396 -1.920 564 HA ASN 74 HA ASN 74 -14.612 13.568 -3.683 565 HB2 ASN 74 1HB ASN 74 -13.150 15.240 -4.676 566 HB3 ASN 74 2HB ASN 74 -12.116 13.982 -5.344 567 HD21 ASN 74 2HD2 ASN 74 -12.762 12.890 -7.178 568 HD22 ASN 74 1HD2 ASN 74 -14.107 13.386 -8.140 569 H ILE 75 H ILE 75 -11.767 11.557 -4.346 570 HA ILE 75 HA ILE 75 -13.330 9.726 -5.953 571 HB ILE 75 HB ILE 75 -10.468 9.536 -5.001 572 HG12 ILE 75 1HG1 ILE 75 -10.842 11.403 -6.544 573 HG13 ILE 75 2HG1 ILE 75 -9.899 10.135 -7.320 574 HG21 ILE 75 1HG2 ILE 75 -11.386 7.329 -5.432 575 HG22 ILE 75 2HG2 ILE 75 -10.226 7.767 -6.686 576 HG23 ILE 75 3HG2 ILE 75 -11.956 7.856 -7.014 577 HD11 ILE 75 3HD1 ILE 75 -11.555 11.056 -8.833 578 HD12 ILE 75 1HD1 ILE 75 -12.841 10.631 -7.705 579 HD13 ILE 75 2HD1 ILE 75 -11.898 9.362 -8.485 580 H LYS 76 H LYS 76 -14.504 8.162 -5.144 581 HA LYS 76 HA LYS 76 -14.421 7.534 -2.331 582 HB2 LYS 76 1HB LYS 76 -16.564 7.763 -3.380 583 HB3 LYS 76 2HB LYS 76 -16.136 6.616 -4.639 584 HG2 LYS 76 1HG LYS 76 -16.031 4.846 -2.879 585 HG3 LYS 76 2HG LYS 76 -16.680 6.033 -1.739 586 HD2 LYS 76 1HD LYS 76 -18.667 6.299 -3.080 587 HD3 LYS 76 2HD LYS 76 -18.007 5.243 -4.330 588 HE2 LYS 76 1HE LYS 76 -17.980 3.396 -2.669 589 HE3 LYS 76 2HE LYS 76 -18.784 4.470 -1.522 590 HZ1 LYS 76 3HZ LYS 76 -20.404 3.095 -2.619 591 HZ2 LYS 76 1HZ LYS 76 -19.850 3.576 -4.150 592 HZ3 LYS 76 2HZ LYS 76 -20.611 4.699 -3.132 593 H ILE 77 H ILE 77 -13.281 5.901 -1.449 594 HA ILE 77 HA ILE 77 -12.053 3.947 -3.229 595 HB ILE 77 HB ILE 77 -10.633 4.963 -1.515 596 HG12 ILE 77 1HG1 ILE 77 -11.103 2.030 -0.942 597 HG13 ILE 77 2HG1 ILE 77 -10.195 2.649 -2.317 598 HG21 ILE 77 1HG2 ILE 77 -12.456 3.629 0.479 599 HG22 ILE 77 2HG2 ILE 77 -12.286 5.364 0.213 600 HG23 ILE 77 3HG2 ILE 77 -10.933 4.434 0.859 601 HD11 ILE 77 3HD1 ILE 77 -8.571 3.646 -0.797 602 HD12 ILE 77 1HD1 ILE 77 -8.717 1.907 -0.542 603 HD13 ILE 77 2HD1 ILE 77 -9.483 3.031 0.581 604 H VAL 78 H VAL 78 -12.623 1.863 -3.397 605 HA VAL 78 HA VAL 78 -15.109 1.104 -2.037 606 HB VAL 78 HB VAL 78 -13.841 -0.149 -4.477 607 HG11 VAL 78 1HG1 VAL 78 -16.584 -0.455 -3.271 608 HG12 VAL 78 2HG1 VAL 78 -15.309 -1.674 -3.320 609 HG13 VAL 78 3HG1 VAL 78 -16.071 -1.133 -4.816 610 HG21 VAL 78 3HG2 VAL 78 -16.063 1.881 -4.296 611 HG22 VAL 78 1HG2 VAL 78 -15.562 1.041 -5.764 612 HG23 VAL 78 2HG2 VAL 78 -14.449 2.145 -4.958 613 H GLU 79 H GLU 79 -12.071 -0.450 -3.116 614 HA GLU 79 HA GLU 79 -12.228 -2.207 -0.769 615 HB2 GLU 79 1HB GLU 79 -13.273 -3.304 -2.796 616 HB3 GLU 79 2HB GLU 79 -11.686 -3.246 -3.551 617 HG2 GLU 79 1HG GLU 79 -10.780 -4.633 -1.756 618 HG3 GLU 79 2HG GLU 79 -12.374 -4.698 -1.007 619 H ILE 80 H ILE 80 -10.249 -3.000 -0.042 620 HA ILE 80 HA ILE 80 -7.873 -1.827 -1.334 621 HB ILE 80 HB ILE 80 -8.214 -2.514 1.591 622 HG12 ILE 80 1HG1 ILE 80 -8.141 0.197 0.244 623 HG13 ILE 80 2HG1 ILE 80 -9.580 -0.566 0.910 624 HG21 ILE 80 1HG2 ILE 80 -5.916 -2.734 0.839 625 HG22 ILE 80 2HG2 ILE 80 -6.084 -1.320 1.879 626 HG23 ILE 80 3HG2 ILE 80 -5.972 -1.121 0.130 627 HD11 ILE 80 3HD1 ILE 80 -8.699 1.117 2.416 628 HD12 ILE 80 1HD1 ILE 80 -7.148 0.279 2.469 629 HD13 ILE 80 2HD1 ILE 80 -8.589 -0.489 3.138 630 H SER 81 H SER 81 -6.530 -3.287 -2.212 631 HA SER 81 HA SER 81 -6.270 -5.900 -0.924 632 HB2 SER 81 1HB SER 81 -6.747 -5.467 -3.881 633 HB3 SER 81 2HB SER 81 -6.288 -7.007 -3.155 634 HG SER 81 HG SER 81 -8.724 -5.681 -3.131 635 HA PRO 82 HA PRO 82 -5.080 -6.934 -0.101 636 HB2 PRO 82 1HB PRO 82 -2.647 -7.062 1.354 637 HB3 PRO 82 2HB PRO 82 -3.318 -8.294 0.285 638 HG2 PRO 82 1HG PRO 82 -0.983 -6.848 -0.174 639 HG3 PRO 82 2HG PRO 82 -1.895 -7.750 -1.394 640 HD2 PRO 82 1HD PRO 82 -1.899 -4.823 -0.800 641 HD3 PRO 82 2HD PRO 82 -2.028 -5.660 -2.363 642 H ARG 83 H ARG 83 -5.196 -6.806 2.304 643 HA ARG 83 HA ARG 83 -5.222 -3.993 3.146 644 HB2 ARG 83 1HB ARG 83 -6.554 -6.445 4.312 645 HB3 ARG 83 2HB ARG 83 -6.685 -4.825 4.984 646 HG2 ARG 83 1HG ARG 83 -7.894 -4.040 3.117 647 HG3 ARG 83 2HG ARG 83 -7.506 -5.479 2.171 648 HD2 ARG 83 1HD ARG 83 -9.219 -5.403 4.651 649 HD3 ARG 83 2HD ARG 83 -9.810 -5.530 2.994 650 HE ARG 83 HE ARG 83 -7.967 -7.586 3.959 651 HH11 ARG 83 1HH1 ARG 83 -11.221 -6.653 3.080 652 HH12 ARG 83 2HH1 ARG 83 -11.803 -8.285 2.973 653 HH21 ARG 83 1HH2 ARG 83 -8.710 -9.731 3.822 654 HH22 ARG 83 2HH2 ARG 83 -10.364 -10.048 3.385 655 H VAL 84 H VAL 84 -3.875 -7.117 3.910 656 HA VAL 84 HA VAL 84 -2.099 -5.831 5.876 657 HB VAL 84 HB VAL 84 -3.194 -8.645 6.114 658 HG11 VAL 84 1HG1 VAL 84 -2.143 -8.623 8.328 659 HG12 VAL 84 2HG1 VAL 84 -1.485 -7.021 7.994 660 HG13 VAL 84 3HG1 VAL 84 -0.959 -8.407 7.039 661 HG21 VAL 84 3HG2 VAL 84 -4.953 -7.031 6.569 662 HG22 VAL 84 1HG2 VAL 84 -3.903 -6.184 7.706 663 HG23 VAL 84 2HG2 VAL 84 -4.442 -7.825 8.060 664 H VAL 85 H VAL 85 0.033 -6.215 5.507 665 HA VAL 85 HA VAL 85 0.687 -8.374 3.613 666 HB VAL 85 HB VAL 85 2.611 -6.944 2.838 667 HG11 VAL 85 1HG1 VAL 85 1.244 -5.606 1.310 668 HG12 VAL 85 2HG1 VAL 85 -0.169 -5.893 2.325 669 HG13 VAL 85 3HG1 VAL 85 0.603 -7.239 1.490 670 HG21 VAL 85 3HG2 VAL 85 1.074 -4.770 4.261 671 HG22 VAL 85 1HG2 VAL 85 2.431 -4.517 3.163 672 HG23 VAL 85 2HG2 VAL 85 2.678 -5.363 4.691 673 H THR 86 H THR 86 2.103 -9.809 4.308 674 HA THR 86 HA THR 86 3.465 -9.427 6.830 675 HB THR 86 HB THR 86 3.824 -11.739 4.917 676 HG1 THR 86 HG1 THR 86 1.825 -11.409 6.948 677 HG21 THR 86 3HG2 THR 86 5.399 -11.627 6.790 678 HG22 THR 86 1HG2 THR 86 4.294 -12.990 6.976 679 HG23 THR 86 2HG2 THR 86 4.051 -11.523 7.924 680 H LEU 87 H LEU 87 5.196 -8.111 6.780 681 HA LEU 87 HA LEU 87 6.798 -8.002 4.341 682 HB2 LEU 87 1HB LEU 87 6.736 -6.181 6.746 683 HB3 LEU 87 2HB LEU 87 7.760 -5.946 5.341 684 HG LEU 87 HG LEU 87 4.739 -5.895 5.357 685 HD11 LEU 87 1HD1 LEU 87 5.026 -3.525 4.794 686 HD12 LEU 87 2HD1 LEU 87 6.768 -3.696 5.000 687 HD13 LEU 87 3HD1 LEU 87 5.691 -3.919 6.378 688 HD21 LEU 87 3HD2 LEU 87 6.683 -5.439 3.097 689 HD22 LEU 87 1HD2 LEU 87 4.937 -5.201 3.021 690 HD23 LEU 87 2HD2 LEU 87 5.597 -6.817 3.274 691 H GLN 88 H GLN 88 8.999 -8.219 4.305 692 HA GLN 88 HA GLN 88 10.067 -9.923 6.424 693 HB2 GLN 88 1HB GLN 88 10.116 -10.882 4.204 694 HB3 GLN 88 2HB GLN 88 10.918 -9.460 3.560 695 HG2 GLN 88 1HG GLN 88 12.288 -10.953 5.724 696 HG3 GLN 88 2HG GLN 88 12.214 -11.694 4.127 697 HE21 GLN 88 2HE2 GLN 88 14.518 -10.713 5.596 698 HE22 GLN 88 1HE2 GLN 88 15.262 -9.523 4.591 699 H LEU 89 H LEU 89 11.372 -9.080 7.864 700 HA LEU 89 HA LEU 89 13.025 -6.752 7.114 701 HB2 LEU 89 1HB LEU 89 11.679 -7.329 9.754 702 HB3 LEU 89 2HB LEU 89 12.865 -6.063 9.511 703 HG LEU 89 HG LEU 89 10.162 -6.222 8.191 704 HD11 LEU 89 1HD1 LEU 89 11.236 -4.408 10.351 705 HD12 LEU 89 2HD1 LEU 89 10.034 -5.682 10.564 706 HD13 LEU 89 3HD1 LEU 89 9.654 -4.266 9.583 707 HD21 LEU 89 3HD2 LEU 89 12.303 -4.104 8.053 708 HD22 LEU 89 1HD2 LEU 89 10.685 -3.976 7.363 709 HD23 LEU 89 2HD2 LEU 89 11.817 -5.177 6.742 710 H GLU 90 H GLU 90 15.120 -6.748 7.799 711 HA GLU 90 HA GLU 90 15.929 -8.713 9.803 712 HB2 GLU 90 1HB GLU 90 17.332 -8.277 7.161 713 HB3 GLU 90 2HB GLU 90 18.073 -9.089 8.532 714 HG2 GLU 90 1HG GLU 90 16.138 -10.707 8.457 715 HG3 GLU 90 2HG GLU 90 15.711 -9.979 6.909 716 H HIS 91 H HIS 91 18.291 -8.144 10.491 717 HA HIS 91 HA HIS 91 18.226 -5.442 11.388 718 HB2 HIS 91 1HB HIS 91 20.242 -7.658 11.601 719 HB3 HIS 91 2HB HIS 91 20.660 -6.025 12.100 720 HD1 HIS 91 HD1 HIS 91 19.725 -9.008 13.586 721 HD2 HIS 91 HD2 HIS 91 18.321 -5.111 13.954 722 HE1 HIS 91 HE1 HIS 91 18.599 -8.902 15.831 723 HE2 HIS 91 HE2 HIS 91 17.998 -6.474 16.125 724 H HIS 92 H HIS 92 18.919 -3.684 10.394 725 HA HIS 92 HA HIS 92 20.613 -3.832 8.043 726 HB2 HIS 92 1HB HIS 92 18.776 -2.151 8.259 727 HB3 HIS 92 2HB HIS 92 19.647 -1.410 9.595 728 HD1 HIS 92 HD1 HIS 92 20.450 0.752 8.720 729 HD2 HIS 92 HD2 HIS 92 21.047 -2.334 6.002 730 HE1 HIS 92 HE1 HIS 92 21.739 1.771 6.813 731 HE2 HIS 92 HE2 HIS 92 22.203 -0.147 5.240 732 H HIS 93 H HIS 93 21.604 -4.939 10.394 733 HA HIS 93 HA HIS 93 24.089 -3.518 10.782 734 HB2 HIS 93 1HB HIS 93 22.172 -2.874 12.538 735 HB3 HIS 93 2HB HIS 93 22.668 -4.396 13.267 736 HD1 HIS 93 HD1 HIS 93 23.907 -3.631 15.284 737 HD2 HIS 93 HD2 HIS 93 25.076 -1.614 11.838 738 HE1 HIS 93 HE1 HIS 93 25.839 -2.172 15.968 739 HE2 HIS 93 HE2 HIS 93 26.337 -0.774 13.933 740 H HIS 94 H HIS 94 25.598 -5.095 10.576 741 HA HIS 94 HA HIS 94 24.703 -7.768 10.198 742 HB2 HIS 94 1HB HIS 94 27.425 -6.495 10.144 743 HB3 HIS 94 2HB HIS 94 27.215 -8.234 9.947 744 HD1 HIS 94 HD1 HIS 94 27.576 -5.326 7.961 745 HD2 HIS 94 HD2 HIS 94 25.123 -8.681 7.758 746 HE1 HIS 94 HE1 HIS 94 26.766 -5.434 5.584 747 HE2 HIS 94 HE2 HIS 94 25.158 -7.375 5.522 748 H HIS 95 H HIS 95 25.897 -6.109 12.950 749 HA HIS 95 HA HIS 95 25.504 -8.599 14.431 750 HB2 HIS 95 1HB HIS 95 27.932 -6.905 14.474 751 HB3 HIS 95 2HB HIS 95 27.341 -7.459 16.038 752 HD1 HIS 95 HD1 HIS 95 27.289 -10.059 16.434 753 HD2 HIS 95 HD2 HIS 95 29.146 -8.841 12.910 754 HE1 HIS 95 HE1 HIS 95 28.586 -12.056 15.618 755 HE2 HIS 95 HE2 HIS 95 29.634 -11.326 13.445 756 H HIS 96 H HIS 96 23.655 -8.196 15.371 757 HA HIS 96 HA HIS 96 22.133 -7.373 16.822 758 HB2 HIS 96 1HB HIS 96 24.203 -7.338 18.312 759 HB3 HIS 96 2HB HIS 96 24.300 -5.616 17.969 760 HD1 HIS 96 HD1 HIS 96 22.969 -7.895 20.353 761 HD2 HIS 96 HD2 HIS 96 21.714 -4.275 18.745 762 HE1 HIS 96 HE1 HIS 96 21.228 -7.014 21.946 763 HE2 HIS 96 HE2 HIS 96 20.529 -4.788 20.987 Start of MODEL 9 1 H1 SER 1 1H SER 1 -6.361 -9.296 -24.742 2 H2 SER 1 2H SER 1 -7.984 -8.867 -24.535 3 H3 SER 1 3H SER 1 -7.261 -9.990 -23.489 4 HA SER 1 HA SER 1 -5.793 -8.305 -22.628 5 HB2 SER 1 1HB SER 1 -7.373 -6.390 -24.364 6 HB3 SER 1 2HB SER 1 -5.984 -6.007 -23.345 7 HG SER 1 HG SER 1 -5.244 -6.216 -25.434 8 H SER 2 H SER 2 -6.477 -6.920 -20.850 9 HA SER 2 HA SER 2 -9.256 -7.452 -20.097 10 HB2 SER 2 1HB SER 2 -7.251 -8.005 -18.571 11 HB3 SER 2 2HB SER 2 -7.133 -6.264 -18.307 12 HG SER 2 HG SER 2 -9.276 -8.008 -17.671 13 H GLN 3 H GLN 3 -10.573 -5.910 -20.865 14 HA GLN 3 HA GLN 3 -9.604 -3.247 -21.342 15 HB2 GLN 3 1HB GLN 3 -11.158 -4.295 -22.910 16 HB3 GLN 3 2HB GLN 3 -12.378 -4.400 -21.648 17 HG2 GLN 3 1HG GLN 3 -12.564 -2.018 -21.541 18 HG3 GLN 3 2HG GLN 3 -11.204 -1.818 -22.642 19 HE21 GLN 3 2HE2 GLN 3 -13.974 -0.893 -22.832 20 HE22 GLN 3 1HE2 GLN 3 -14.572 -1.510 -24.337 21 H THR 4 H THR 4 -9.546 -1.697 -19.926 22 HA THR 4 HA THR 4 -10.854 -1.906 -17.376 23 HB THR 4 HB THR 4 -9.473 0.556 -18.425 24 HG1 THR 4 HG1 THR 4 -7.605 -0.441 -18.384 25 HG21 THR 4 3HG2 THR 4 -9.678 -0.682 -15.676 26 HG22 THR 4 1HG2 THR 4 -10.568 0.730 -16.247 27 HG23 THR 4 2HG2 THR 4 -8.815 0.804 -16.069 28 H LEU 5 H LEU 5 -12.692 -0.908 -16.720 29 HA LEU 5 HA LEU 5 -14.225 0.591 -18.669 30 HB2 LEU 5 1HB LEU 5 -14.864 -0.237 -15.834 31 HB3 LEU 5 2HB LEU 5 -15.970 0.626 -16.886 32 HG LEU 5 HG LEU 5 -14.894 -2.159 -17.346 33 HD11 LEU 5 1HD1 LEU 5 -16.554 -2.055 -15.569 34 HD12 LEU 5 2HD1 LEU 5 -17.218 -2.844 -17.000 35 HD13 LEU 5 3HD1 LEU 5 -17.654 -1.176 -16.631 36 HD21 LEU 5 3HD2 LEU 5 -16.849 -0.534 -18.972 37 HD22 LEU 5 1HD2 LEU 5 -16.428 -2.225 -19.248 38 HD23 LEU 5 2HD2 LEU 5 -15.209 -0.968 -19.451 39 H ASP 6 H ASP 6 -14.422 2.730 -18.730 40 HA ASP 6 HA ASP 6 -12.533 4.315 -17.335 41 HB2 ASP 6 1HB ASP 6 -14.914 5.202 -18.976 42 HB3 ASP 6 2HB ASP 6 -13.566 6.224 -18.488 43 H ARG 7 H ARG 7 -15.662 3.300 -16.514 44 HA ARG 7 HA ARG 7 -16.186 5.548 -14.751 45 HB2 ARG 7 1HB ARG 7 -17.757 3.078 -15.459 46 HB3 ARG 7 2HB ARG 7 -18.261 4.180 -14.185 47 HG2 ARG 7 1HG ARG 7 -18.343 6.010 -15.821 48 HG3 ARG 7 2HG ARG 7 -17.891 4.870 -17.092 49 HD2 ARG 7 1HD ARG 7 -19.910 3.638 -16.809 50 HD3 ARG 7 2HD ARG 7 -20.318 4.527 -15.343 51 HE ARG 7 HE ARG 7 -20.220 6.495 -17.173 52 HH11 ARG 7 1HH1 ARG 7 -21.796 3.369 -17.188 53 HH12 ARG 7 2HH1 ARG 7 -23.125 3.892 -18.174 54 HH21 ARG 7 1HH2 ARG 7 -21.976 7.201 -18.453 55 HH22 ARG 7 2HH2 ARG 7 -23.214 6.074 -18.918 56 H ASP 8 H ASP 8 -14.388 2.762 -14.561 57 HA ASP 8 HA ASP 8 -14.727 2.677 -11.635 58 HB2 ASP 8 1HB ASP 8 -14.214 0.371 -13.519 59 HB3 ASP 8 2HB ASP 8 -13.956 0.264 -11.783 60 HA PRO 9 HA PRO 9 -10.374 3.981 -12.424 61 HB2 PRO 9 1HB PRO 9 -10.772 5.025 -9.686 62 HB3 PRO 9 2HB PRO 9 -10.122 5.833 -11.116 63 HG2 PRO 9 1HG PRO 9 -12.562 6.409 -10.176 64 HG3 PRO 9 2HG PRO 9 -12.214 6.396 -11.915 65 HD2 PRO 9 1HD PRO 9 -13.624 4.354 -10.248 66 HD3 PRO 9 2HD PRO 9 -13.972 4.901 -11.901 67 H THR 10 H THR 10 -9.468 1.970 -12.298 68 HA THR 10 HA THR 10 -9.138 0.747 -9.661 69 HB THR 10 HB THR 10 -8.218 -0.325 -12.337 70 HG1 THR 10 HG1 THR 10 -10.644 0.064 -11.828 71 HG21 THR 10 3HG2 THR 10 -8.707 -1.684 -9.680 72 HG22 THR 10 1HG2 THR 10 -7.128 -1.319 -10.373 73 HG23 THR 10 2HG2 THR 10 -8.192 -2.479 -11.169 74 H LEU 11 H LEU 11 -7.453 1.501 -8.527 75 HA LEU 11 HA LEU 11 -5.190 2.623 -10.026 76 HB2 LEU 11 1HB LEU 11 -6.023 3.136 -7.171 77 HB3 LEU 11 2HB LEU 11 -4.716 3.936 -8.024 78 HG LEU 11 HG LEU 11 -7.640 4.142 -8.728 79 HD11 LEU 11 1HD1 LEU 11 -7.456 6.440 -7.916 80 HD12 LEU 11 2HD1 LEU 11 -5.790 6.132 -7.424 81 HD13 LEU 11 3HD1 LEU 11 -7.115 5.276 -6.636 82 HD21 LEU 11 3HD2 LEU 11 -5.241 5.575 -9.858 83 HD22 LEU 11 1HD2 LEU 11 -6.926 5.900 -10.266 84 HD23 LEU 11 2HD2 LEU 11 -6.202 4.347 -10.683 85 H THR 12 H THR 12 -3.120 2.083 -9.549 86 HA THR 12 HA THR 12 -2.719 -0.031 -7.532 87 HB THR 12 HB THR 12 -1.106 0.289 -10.072 88 HG1 THR 12 HG1 THR 12 -3.538 -0.534 -9.962 89 HG21 THR 12 3HG2 THR 12 -0.310 -1.970 -9.518 90 HG22 THR 12 1HG2 THR 12 -1.273 -1.945 -8.041 91 HG23 THR 12 2HG2 THR 12 0.072 -0.821 -8.236 92 H LEU 13 H LEU 13 -1.853 1.019 -5.852 93 HA LEU 13 HA LEU 13 -0.062 3.282 -6.347 94 HB2 LEU 13 1HB LEU 13 -1.257 2.363 -3.732 95 HB3 LEU 13 2HB LEU 13 -0.449 3.887 -4.041 96 HG LEU 13 HG LEU 13 -3.110 3.026 -5.180 97 HD11 LEU 13 1HD1 LEU 13 -4.008 4.835 -3.801 98 HD12 LEU 13 2HD1 LEU 13 -2.402 5.123 -3.134 99 HD13 LEU 13 3HD1 LEU 13 -3.226 3.596 -2.821 100 HD21 LEU 13 3HD2 LEU 13 -1.866 4.401 -6.766 101 HD22 LEU 13 1HD2 LEU 13 -1.607 5.618 -5.517 102 HD23 LEU 13 2HD2 LEU 13 -3.239 5.284 -6.096 103 H SER 14 H SER 14 2.043 3.318 -5.670 104 HA SER 14 HA SER 14 3.309 0.809 -5.165 105 HB2 SER 14 1HB SER 14 4.469 3.600 -4.966 106 HB3 SER 14 2HB SER 14 5.377 2.094 -5.112 107 HG SER 14 HG SER 14 3.778 3.414 -7.030 108 H LEU 15 H LEU 15 3.999 -0.058 -3.279 109 HA LEU 15 HA LEU 15 3.082 1.183 -0.824 110 HB2 LEU 15 1HB LEU 15 2.780 -1.247 -1.267 111 HB3 LEU 15 2HB LEU 15 4.522 -1.440 -1.246 112 HG LEU 15 HG LEU 15 4.543 -0.685 1.121 113 HD11 LEU 15 1HD1 LEU 15 2.436 -0.588 2.351 114 HD12 LEU 15 2HD1 LEU 15 1.543 -0.816 0.846 115 HD13 LEU 15 3HD1 LEU 15 2.502 0.645 1.092 116 HD21 LEU 15 3HD2 LEU 15 2.759 -3.043 0.525 117 HD22 LEU 15 1HD2 LEU 15 3.599 -2.743 2.047 118 HD23 LEU 15 2HD2 LEU 15 4.521 -3.059 0.577 119 H ILE 16 H ILE 16 4.313 2.495 0.320 120 HA ILE 16 HA ILE 16 7.236 2.332 -0.029 121 HB ILE 16 HB ILE 16 7.317 4.706 0.652 122 HG12 ILE 16 1HG1 ILE 16 4.298 4.567 0.458 123 HG13 ILE 16 2HG1 ILE 16 5.213 4.743 1.951 124 HG21 ILE 16 1HG2 ILE 16 7.308 4.118 -1.704 125 HG22 ILE 16 2HG2 ILE 16 6.437 5.629 -1.442 126 HG23 ILE 16 3HG2 ILE 16 5.544 4.133 -1.719 127 HD11 ILE 16 3HD1 ILE 16 6.063 6.897 1.163 128 HD12 ILE 16 1HD1 ILE 16 4.300 6.867 1.240 129 HD13 ILE 16 2HD1 ILE 16 5.118 6.719 -0.316 130 H ALA 17 H ALA 17 8.560 2.768 1.796 131 HA ALA 17 HA ALA 17 7.461 1.734 4.277 132 HB1 ALA 17 3HB ALA 17 9.778 1.643 5.016 133 HB2 ALA 17 1HB ALA 17 10.290 2.504 3.564 134 HB3 ALA 17 2HB ALA 17 9.604 0.884 3.434 135 H LYS 18 H LYS 18 6.579 3.101 5.695 136 HA LYS 18 HA LYS 18 7.700 5.822 5.866 137 HB2 LYS 18 1HB LYS 18 5.360 5.716 4.977 138 HB3 LYS 18 2HB LYS 18 4.861 4.992 6.500 139 HG2 LYS 18 1HG LYS 18 5.665 7.024 7.672 140 HG3 LYS 18 2HG LYS 18 6.004 7.746 6.099 141 HD2 LYS 18 1HD LYS 18 3.629 7.503 5.500 142 HD3 LYS 18 2HD LYS 18 3.308 6.830 7.100 143 HE2 LYS 18 1HE LYS 18 4.182 8.945 8.087 144 HE3 LYS 18 2HE LYS 18 4.301 9.602 6.456 145 HZ1 LYS 18 3HZ LYS 18 1.903 9.261 6.208 146 HZ2 LYS 18 1HZ LYS 18 2.266 10.309 7.491 147 HZ3 LYS 18 2HZ LYS 18 1.814 8.705 7.810 148 H ASN 19 H ASN 19 8.113 6.657 7.887 149 HA ASN 19 HA ASN 19 8.661 6.660 10.095 150 HB2 ASN 19 1HB ASN 19 6.143 6.338 10.241 151 HB3 ASN 19 2HB ASN 19 6.454 4.620 10.451 152 HD21 ASN 19 2HD2 ASN 19 5.439 4.704 12.461 153 HD22 ASN 19 1HD2 ASN 19 6.235 5.381 13.853 154 H THR 20 H THR 20 9.812 4.770 8.205 155 HA THR 20 HA THR 20 10.324 2.338 9.680 156 HB THR 20 HB THR 20 11.375 3.305 7.014 157 HG1 THR 20 HG1 THR 20 8.994 2.439 7.708 158 HG21 THR 20 3HG2 THR 20 11.535 0.576 8.306 159 HG22 THR 20 1HG2 THR 20 12.888 1.665 8.005 160 HG23 THR 20 2HG2 THR 20 12.013 0.952 6.650 161 HA PRO 21 HA PRO 21 13.819 4.283 11.687 162 HB2 PRO 21 1HB PRO 21 14.297 1.637 12.826 163 HB3 PRO 21 2HB PRO 21 13.854 3.139 13.637 164 HG2 PRO 21 1HG PRO 21 12.157 1.046 13.404 165 HG3 PRO 21 2HG PRO 21 11.607 2.730 13.455 166 HD2 PRO 21 1HD PRO 21 11.918 0.902 11.110 167 HD3 PRO 21 2HD PRO 21 10.647 2.095 11.454 168 H ALA 22 H ALA 22 16.126 3.941 11.823 169 HA ALA 22 HA ALA 22 17.169 2.866 9.369 170 HB1 ALA 22 3HB ALA 22 18.010 4.967 10.314 171 HB2 ALA 22 1HB ALA 22 19.297 3.781 10.099 172 HB3 ALA 22 2HB ALA 22 18.637 4.082 11.705 173 H ASN 23 H ASN 23 16.506 1.507 12.351 174 HA ASN 23 HA ASN 23 18.754 -0.351 12.288 175 HB2 ASN 23 1HB ASN 23 18.014 -1.142 14.427 176 HB3 ASN 23 2HB ASN 23 17.948 0.616 14.461 177 HD21 ASN 23 2HD2 ASN 23 15.994 1.638 14.678 178 HD22 ASN 23 1HD2 ASN 23 14.517 0.790 15.007 179 H SER 24 H SER 24 16.050 -0.167 10.571 180 HA SER 24 HA SER 24 15.590 -3.067 10.649 181 HB2 SER 24 1HB SER 24 13.173 -2.521 10.087 182 HB3 SER 24 2HB SER 24 13.686 -2.126 11.727 183 HG SER 24 HG SER 24 13.940 -0.155 9.755 184 H MET 25 H MET 25 15.455 -4.085 8.737 185 HA MET 25 HA MET 25 15.322 -2.453 6.285 186 HB2 MET 25 1HB MET 25 17.600 -3.313 6.551 187 HB3 MET 25 2HB MET 25 16.976 -4.946 6.749 188 HG2 MET 25 1HG MET 25 15.881 -4.390 4.389 189 HG3 MET 25 2HG MET 25 17.268 -3.308 4.300 190 HE1 MET 25 3HE MET 25 20.260 -5.816 4.681 191 HE2 MET 25 1HE MET 25 19.458 -4.916 5.967 192 HE3 MET 25 2HE MET 25 19.797 -4.134 4.423 193 H ILE 26 H ILE 26 13.723 -3.031 4.940 194 HA ILE 26 HA ILE 26 12.184 -5.425 5.561 195 HB ILE 26 HB ILE 26 11.636 -3.523 3.285 196 HG12 ILE 26 1HG1 ILE 26 10.690 -3.262 6.151 197 HG13 ILE 26 2HG1 ILE 26 11.870 -2.213 5.375 198 HG21 ILE 26 1HG2 ILE 26 10.406 -5.626 3.296 199 HG22 ILE 26 2HG2 ILE 26 9.325 -4.272 3.629 200 HG23 ILE 26 3HG2 ILE 26 9.864 -5.315 4.946 201 HD11 ILE 26 3HD1 ILE 26 9.686 -1.164 5.464 202 HD12 ILE 26 1HD1 ILE 26 8.983 -2.518 4.579 203 HD13 ILE 26 2HD1 ILE 26 10.163 -1.469 3.794 204 H MET 27 H MET 27 13.334 -7.181 4.894 205 HA MET 27 HA MET 27 14.928 -7.300 2.570 206 HB2 MET 27 1HB MET 27 13.622 -9.530 4.144 207 HB3 MET 27 2HB MET 27 14.830 -9.773 2.891 208 HG2 MET 27 1HG MET 27 16.446 -8.491 4.209 209 HG3 MET 27 2HG MET 27 15.234 -8.272 5.469 210 HE1 MET 27 3HE MET 27 17.466 -10.862 3.534 211 HE2 MET 27 1HE MET 27 15.838 -11.494 3.286 212 HE3 MET 27 2HE MET 27 16.984 -12.381 4.291 213 H THR 28 H THR 28 11.563 -8.002 3.195 214 HA THR 28 HA THR 28 10.967 -8.998 0.586 215 HB THR 28 HB THR 28 8.993 -7.696 2.461 216 HG1 THR 28 HG1 THR 28 10.190 -10.285 2.616 217 HG21 THR 28 3HG2 THR 28 8.759 -10.008 0.528 218 HG22 THR 28 1HG2 THR 28 8.176 -8.368 0.245 219 HG23 THR 28 2HG2 THR 28 7.454 -9.351 1.518 220 H LYS 29 H LYS 29 11.375 -7.667 -1.110 221 HA LYS 29 HA LYS 29 11.392 -4.852 -0.914 222 HB2 LYS 29 1HB LYS 29 11.311 -6.637 -3.350 223 HB3 LYS 29 2HB LYS 29 11.578 -4.897 -3.400 224 HG2 LYS 29 1HG LYS 29 13.558 -5.229 -1.926 225 HG3 LYS 29 2HG LYS 29 13.327 -6.968 -2.099 226 HD2 LYS 29 1HD LYS 29 13.653 -6.790 -4.503 227 HD3 LYS 29 2HD LYS 29 13.821 -5.037 -4.364 228 HE2 LYS 29 1HE LYS 29 15.779 -5.375 -2.900 229 HE3 LYS 29 2HE LYS 29 15.628 -7.115 -3.133 230 HZ1 LYS 29 3HZ LYS 29 17.298 -6.203 -4.585 231 HZ2 LYS 29 1HZ LYS 29 16.187 -5.109 -5.250 232 HZ3 LYS 29 2HZ LYS 29 15.995 -6.772 -5.510 233 H LEU 30 H LEU 30 9.850 -3.445 -0.952 234 HA LEU 30 HA LEU 30 7.184 -4.209 -0.681 235 HB2 LEU 30 1HB LEU 30 8.307 -1.477 -1.287 236 HB3 LEU 30 2HB LEU 30 6.702 -1.805 -0.661 237 HG LEU 30 HG LEU 30 9.274 -2.448 0.785 238 HD11 LEU 30 1HD1 LEU 30 7.303 -0.208 1.213 239 HD12 LEU 30 2HD1 LEU 30 8.945 -0.045 0.586 240 HD13 LEU 30 3HD1 LEU 30 8.684 -0.582 2.246 241 HD21 LEU 30 3HD2 LEU 30 7.817 -2.848 2.703 242 HD22 LEU 30 1HD2 LEU 30 7.425 -3.934 1.370 243 HD23 LEU 30 2HD2 LEU 30 6.400 -2.537 1.700 244 HA PRO 31 HA PRO 31 5.971 -4.234 -4.991 245 HB2 PRO 31 1HB PRO 31 3.673 -5.549 -4.639 246 HB3 PRO 31 2HB PRO 31 5.226 -6.365 -4.426 247 HG2 PRO 31 1HG PRO 31 3.324 -5.341 -2.370 248 HG3 PRO 31 2HG PRO 31 4.309 -6.813 -2.354 249 HD2 PRO 31 1HD PRO 31 4.940 -4.409 -1.077 250 HD3 PRO 31 2HD PRO 31 6.072 -5.731 -1.416 251 H SER 32 H SER 32 3.202 -4.109 -5.593 252 HA SER 32 HA SER 32 2.490 -1.422 -4.615 253 HB2 SER 32 1HB SER 32 1.917 -2.582 -7.354 254 HB3 SER 32 2HB SER 32 1.561 -0.942 -6.811 255 HG SER 32 HG SER 32 3.519 -0.423 -7.345 256 H VAL 33 H VAL 33 0.254 -0.965 -4.362 257 HA VAL 33 HA VAL 33 -1.326 -3.378 -3.793 258 HB VAL 33 HB VAL 33 -0.887 -1.888 -1.878 259 HG11 VAL 33 1HG1 VAL 33 -0.745 0.237 -3.030 260 HG12 VAL 33 2HG1 VAL 33 -1.951 0.313 -1.746 261 HG13 VAL 33 3HG1 VAL 33 -2.461 0.159 -3.428 262 HG21 VAL 33 3HG2 VAL 33 -3.200 -1.670 -1.083 263 HG22 VAL 33 1HG2 VAL 33 -2.909 -3.227 -1.860 264 HG23 VAL 33 2HG2 VAL 33 -3.781 -1.959 -2.723 265 H ARG 34 H ARG 34 -3.308 -3.697 -4.680 266 HA ARG 34 HA ARG 34 -4.141 -1.825 -6.779 267 HB2 ARG 34 1HB ARG 34 -4.875 -4.699 -6.212 268 HB3 ARG 34 2HB ARG 34 -5.707 -3.722 -7.412 269 HG2 ARG 34 1HG ARG 34 -3.604 -3.422 -8.622 270 HG3 ARG 34 2HG ARG 34 -2.777 -4.414 -7.420 271 HD2 ARG 34 1HD ARG 34 -3.354 -5.680 -9.452 272 HD3 ARG 34 2HD ARG 34 -4.132 -6.326 -8.008 273 HE ARG 34 HE ARG 34 -6.162 -5.056 -8.779 274 HH11 ARG 34 1HH1 ARG 34 -3.728 -6.214 -11.032 275 HH12 ARG 34 2HH1 ARG 34 -4.834 -6.284 -12.380 276 HH21 ARG 34 1HH2 ARG 34 -7.613 -5.191 -10.535 277 HH22 ARG 34 2HH2 ARG 34 -7.045 -5.722 -12.090 278 H VAL 35 H VAL 35 -5.694 -0.441 -6.360 279 HA VAL 35 HA VAL 35 -7.748 -1.179 -4.394 280 HB VAL 35 HB VAL 35 -7.828 1.202 -3.654 281 HG11 VAL 35 1HG1 VAL 35 -5.817 1.101 -2.240 282 HG12 VAL 35 2HG1 VAL 35 -5.195 -0.210 -3.242 283 HG13 VAL 35 3HG1 VAL 35 -6.669 -0.443 -2.302 284 HG21 VAL 35 3HG2 VAL 35 -5.245 1.454 -5.196 285 HG22 VAL 35 1HG2 VAL 35 -5.922 2.667 -4.108 286 HG23 VAL 35 2HG2 VAL 35 -6.771 2.244 -5.595 287 H LYS 36 H LYS 36 -9.733 -1.100 -5.226 288 HA LYS 36 HA LYS 36 -10.155 0.432 -7.683 289 HB2 LYS 36 1HB LYS 36 -10.928 -1.909 -7.693 290 HB3 LYS 36 2HB LYS 36 -11.969 -1.571 -6.314 291 HG2 LYS 36 1HG LYS 36 -13.241 0.020 -7.654 292 HG3 LYS 36 2HG LYS 36 -12.194 -0.301 -9.035 293 HD2 LYS 36 1HD LYS 36 -12.929 -2.621 -9.073 294 HD3 LYS 36 2HD LYS 36 -13.942 -2.335 -7.654 295 HE2 LYS 36 1HE LYS 36 -15.239 -0.687 -8.914 296 HE3 LYS 36 2HE LYS 36 -14.226 -0.969 -10.328 297 HZ1 LYS 36 3HZ LYS 36 -16.346 -2.168 -10.402 298 HZ2 LYS 36 1HZ LYS 36 -15.906 -3.030 -9.013 299 HZ3 LYS 36 2HZ LYS 36 -15.014 -3.220 -10.444 300 H THR 37 H THR 37 -11.601 2.127 -7.789 301 HA THR 37 HA THR 37 -12.682 2.992 -5.197 302 HB THR 37 HB THR 37 -12.136 5.344 -5.902 303 HG1 THR 37 HG1 THR 37 -10.755 3.910 -7.933 304 HG21 THR 37 3HG2 THR 37 -9.811 3.448 -5.543 305 HG22 THR 37 1HG2 THR 37 -10.769 4.176 -4.254 306 HG23 THR 37 2HG2 THR 37 -9.760 5.191 -5.283 307 H GLU 38 H GLU 38 -14.503 4.360 -5.258 308 HA GLU 38 HA GLU 38 -16.051 4.226 -7.755 309 HB2 GLU 38 1HB GLU 38 -16.966 4.673 -4.906 310 HB3 GLU 38 2HB GLU 38 -18.020 4.733 -6.311 311 HG2 GLU 38 1HG GLU 38 -17.376 2.369 -6.789 312 HG3 GLU 38 2HG GLU 38 -16.538 2.353 -5.237 313 H GLY 39 H GLY 39 -16.147 6.018 -8.898 314 HA2 GLY 39 1HA GLY 39 -17.051 8.431 -8.411 315 HA3 GLY 39 2HA GLY 39 -15.476 8.563 -7.633 316 H TYR 40 H TYR 40 -15.419 10.328 -9.345 317 HA TYR 40 HA TYR 40 -14.109 9.188 -11.709 318 HB2 TYR 40 1HB TYR 40 -16.129 11.443 -11.767 319 HB3 TYR 40 2HB TYR 40 -15.143 10.937 -13.135 320 HD1 TYR 40 HD1 TYR 40 -15.429 8.557 -13.995 321 HD2 TYR 40 HD2 TYR 40 -18.172 10.386 -11.306 322 HE1 TYR 40 HE1 TYR 40 -17.126 6.886 -14.599 323 HE2 TYR 40 HE2 TYR 40 -19.877 8.718 -11.902 324 HH TYR 40 HH TYR 40 -20.388 7.221 -13.834 325 H ASN 41 H ASN 41 -12.095 9.702 -11.195 326 HA ASN 41 HA ASN 41 -11.270 12.008 -9.834 327 HB2 ASN 41 1HB ASN 41 -8.981 11.391 -10.945 328 HB3 ASN 41 2HB ASN 41 -9.683 10.338 -9.729 329 HD21 ASN 41 2HD2 ASN 41 -10.780 10.541 -13.079 330 HD22 ASN 41 1HD2 ASN 41 -10.295 8.935 -13.511 331 HA PRO 42 HA PRO 42 -11.819 14.856 -13.252 332 HB2 PRO 42 1HB PRO 42 -10.998 16.879 -11.304 333 HB3 PRO 42 2HB PRO 42 -12.545 16.698 -12.133 334 HG2 PRO 42 1HG PRO 42 -12.254 16.237 -9.484 335 HG3 PRO 42 2HG PRO 42 -13.421 15.353 -10.485 336 HD2 PRO 42 1HD PRO 42 -10.719 14.494 -9.512 337 HD3 PRO 42 2HD PRO 42 -12.231 13.564 -9.607 338 H SER 43 H SER 43 -9.315 15.769 -10.905 339 HA SER 43 HA SER 43 -7.243 15.290 -12.890 340 HB2 SER 43 1HB SER 43 -7.934 17.702 -13.109 341 HB3 SER 43 2HB SER 43 -7.456 17.939 -11.430 342 HG SER 43 HG SER 43 -5.344 17.502 -11.971 343 H ILE 44 H ILE 44 -6.897 13.520 -11.420 344 HA ILE 44 HA ILE 44 -5.511 14.351 -8.954 345 HB ILE 44 HB ILE 44 -7.071 11.787 -9.357 346 HG12 ILE 44 1HG1 ILE 44 -7.686 14.204 -7.640 347 HG13 ILE 44 2HG1 ILE 44 -8.532 13.758 -9.117 348 HG21 ILE 44 1HG2 ILE 44 -6.637 11.412 -6.971 349 HG22 ILE 44 2HG2 ILE 44 -5.642 12.867 -6.930 350 HG23 ILE 44 3HG2 ILE 44 -5.143 11.485 -7.904 351 HD11 ILE 44 3HD1 ILE 44 -9.310 11.708 -8.055 352 HD12 ILE 44 1HD1 ILE 44 -9.801 13.136 -7.144 353 HD13 ILE 44 2HD1 ILE 44 -8.454 12.147 -6.577 354 H ASN 45 H ASN 45 -3.473 13.632 -8.715 355 HA ASN 45 HA ASN 45 -2.404 12.119 -10.971 356 HB2 ASN 45 1HB ASN 45 -1.394 14.311 -10.348 357 HB3 ASN 45 2HB ASN 45 -0.899 13.605 -8.814 358 HD21 ASN 45 2HD2 ASN 45 1.241 14.143 -9.421 359 HD22 ASN 45 1HD2 ASN 45 2.126 13.134 -10.523 360 H VAL 46 H VAL 46 -2.546 10.030 -10.685 361 HA VAL 46 HA VAL 46 -2.565 8.672 -8.222 362 HB VAL 46 HB VAL 46 -1.800 7.498 -10.900 363 HG11 VAL 46 1HG1 VAL 46 -2.786 5.442 -9.993 364 HG12 VAL 46 2HG1 VAL 46 -3.074 6.266 -8.460 365 HG13 VAL 46 3HG1 VAL 46 -1.424 6.004 -9.024 366 HG21 VAL 46 3HG2 VAL 46 -3.863 8.781 -11.126 367 HG22 VAL 46 1HG2 VAL 46 -4.561 7.915 -9.757 368 HG23 VAL 46 2HG2 VAL 46 -4.178 7.050 -11.245 369 H ASN 47 H ASN 47 -0.019 9.800 -10.259 370 HA ASN 47 HA ASN 47 2.089 8.160 -9.331 371 HB2 ASN 47 1HB ASN 47 2.180 9.587 -11.378 372 HB3 ASN 47 2HB ASN 47 2.263 11.008 -10.342 373 HD21 ASN 47 2HD2 ASN 47 4.259 11.675 -10.998 374 HD22 ASN 47 1HD2 ASN 47 5.712 10.794 -10.660 375 H GLU 48 H GLU 48 0.399 10.791 -7.881 376 HA GLU 48 HA GLU 48 2.490 11.065 -5.836 377 HB2 GLU 48 1HB GLU 48 0.166 12.862 -6.531 378 HB3 GLU 48 2HB GLU 48 1.226 13.116 -5.148 379 HG2 GLU 48 1HG GLU 48 3.134 13.355 -6.620 380 HG3 GLU 48 2HG GLU 48 2.118 13.025 -8.021 381 H LEU 49 H LEU 49 -0.545 9.678 -6.428 382 HA LEU 49 HA LEU 49 -1.266 9.401 -3.645 383 HB2 LEU 49 1HB LEU 49 -2.209 7.874 -6.078 384 HB3 LEU 49 2HB LEU 49 -2.907 7.748 -4.475 385 HG LEU 49 HG LEU 49 -2.917 10.217 -6.212 386 HD11 LEU 49 1HD1 LEU 49 -4.403 8.456 -7.021 387 HD12 LEU 49 2HD1 LEU 49 -5.317 9.815 -6.367 388 HD13 LEU 49 3HD1 LEU 49 -5.137 8.337 -5.422 389 HD21 LEU 49 3HD2 LEU 49 -2.799 10.770 -3.835 390 HD22 LEU 49 1HD2 LEU 49 -4.177 9.714 -3.517 391 HD23 LEU 49 2HD2 LEU 49 -4.384 11.163 -4.503 392 H PHE 50 H PHE 50 -0.559 7.863 -2.254 393 HA PHE 50 HA PHE 50 0.896 5.557 -3.338 394 HB2 PHE 50 1HB PHE 50 1.936 7.479 -1.253 395 HB3 PHE 50 2HB PHE 50 2.613 5.876 -1.505 396 HD1 PHE 50 HD1 PHE 50 3.447 5.344 -3.890 397 HD2 PHE 50 HD2 PHE 50 2.754 9.282 -2.436 398 HE1 PHE 50 HE1 PHE 50 4.950 6.241 -5.618 399 HE2 PHE 50 HE2 PHE 50 4.253 10.188 -4.165 400 HZ PHE 50 HZ PHE 50 5.354 8.667 -5.757 401 H ALA 51 H ALA 51 1.470 3.996 -1.557 402 HA ALA 51 HA ALA 51 -0.388 4.086 0.720 403 HB1 ALA 51 3HB ALA 51 0.296 1.627 -0.901 404 HB2 ALA 51 1HB ALA 51 -1.261 2.457 -0.893 405 HB3 ALA 51 2HB ALA 51 -0.681 1.656 0.568 406 H TYR 52 H TYR 52 0.538 3.340 2.670 407 HA TYR 52 HA TYR 52 3.423 2.815 2.477 408 HB2 TYR 52 1HB TYR 52 3.725 4.303 4.484 409 HB3 TYR 52 2HB TYR 52 3.298 5.135 2.994 410 HD1 TYR 52 HD2 TYR 52 1.026 6.091 2.727 411 HD2 TYR 52 HD1 TYR 52 2.288 4.321 6.386 412 HE1 TYR 52 HE2 TYR 52 -0.840 7.186 3.895 413 HE2 TYR 52 HE1 TYR 52 0.430 5.415 7.561 414 HH TYR 52 HH TYR 52 -2.152 6.935 5.912 415 H VAL 53 H VAL 53 4.384 1.769 4.241 416 HA VAL 53 HA VAL 53 2.489 0.431 6.049 417 HB VAL 53 HB VAL 53 4.403 -1.211 6.442 418 HG11 VAL 53 1HG1 VAL 53 3.148 -1.093 3.702 419 HG12 VAL 53 2HG1 VAL 53 2.425 -1.790 5.151 420 HG13 VAL 53 3HG1 VAL 53 3.866 -2.524 4.444 421 HG21 VAL 53 3HG2 VAL 53 5.433 0.046 3.897 422 HG22 VAL 53 1HG2 VAL 53 6.055 -1.427 4.642 423 HG23 VAL 53 2HG2 VAL 53 6.209 0.119 5.478 424 H ASP 54 H ASP 54 2.494 1.142 8.030 425 HA ASP 54 HA ASP 54 4.573 2.951 8.912 426 HB2 ASP 54 1HB ASP 54 2.391 3.709 9.406 427 HB3 ASP 54 2HB ASP 54 1.899 2.138 10.029 428 H LEU 55 H LEU 55 6.353 2.048 9.630 429 HA LEU 55 HA LEU 55 6.208 -0.463 11.108 430 HB2 LEU 55 1HB LEU 55 8.596 1.047 10.046 431 HB3 LEU 55 2HB LEU 55 8.657 -0.520 10.832 432 HG LEU 55 HG LEU 55 7.388 0.121 8.170 433 HD11 LEU 55 1HD1 LEU 55 9.059 -1.448 7.312 434 HD12 LEU 55 2HD1 LEU 55 9.731 -1.612 8.935 435 HD13 LEU 55 3HD1 LEU 55 9.804 -0.059 8.102 436 HD21 LEU 55 3HD2 LEU 55 6.860 -2.255 8.019 437 HD22 LEU 55 1HD2 LEU 55 6.018 -1.497 9.371 438 HD23 LEU 55 2HD2 LEU 55 7.442 -2.496 9.668 439 H SER 56 H SER 56 5.162 1.668 12.477 440 HA SER 56 HA SER 56 6.867 2.956 14.263 441 HB2 SER 56 1HB SER 56 4.771 2.791 15.804 442 HB3 SER 56 2HB SER 56 4.645 3.694 14.294 443 HG SER 56 HG SER 56 3.192 2.329 13.638 444 H GLY 57 H GLY 57 5.286 -0.190 14.480 445 HA2 GLY 57 1HA GLY 57 7.090 -0.928 16.677 446 HA3 GLY 57 2HA GLY 57 5.657 -1.821 16.180 447 H SER 58 H SER 58 8.791 -0.756 14.894 448 HA SER 58 HA SER 58 8.881 -2.720 12.852 449 HB2 SER 58 1HB SER 58 11.317 -2.017 12.728 450 HB3 SER 58 2HB SER 58 10.139 -0.717 12.540 451 HG SER 58 HG SER 58 11.308 -1.376 15.036 452 H GLU 59 H GLU 59 8.785 -4.798 13.453 453 HA GLU 59 HA GLU 59 10.611 -5.714 15.572 454 HB2 GLU 59 1HB GLU 59 8.054 -6.979 14.573 455 HB3 GLU 59 2HB GLU 59 9.069 -7.602 15.867 456 HG2 GLU 59 1HG GLU 59 8.597 -5.657 17.221 457 HG3 GLU 59 2HG GLU 59 7.655 -4.946 15.911 458 HA PRO 60 HA PRO 60 12.836 -7.799 12.341 459 HB2 PRO 60 1HB PRO 60 14.277 -9.469 13.962 460 HB3 PRO 60 2HB PRO 60 14.688 -7.774 13.683 461 HG2 PRO 60 1HG PRO 60 13.248 -9.024 15.986 462 HG3 PRO 60 2HG PRO 60 14.473 -7.741 15.991 463 HD2 PRO 60 1HD PRO 60 11.836 -7.220 16.264 464 HD3 PRO 60 2HD PRO 60 12.943 -6.104 15.439 465 H GLY 61 H GLY 61 12.490 -9.581 11.151 466 HA2 GLY 61 1HA GLY 61 12.095 -11.985 11.027 467 HA3 GLY 61 2HA GLY 61 11.005 -11.810 12.397 468 H GLU 62 H GLU 62 9.902 -13.104 10.433 469 HA GLU 62 HA GLU 62 8.624 -11.415 8.496 470 HB2 GLU 62 1HB GLU 62 8.107 -14.262 9.364 471 HB3 GLU 62 2HB GLU 62 7.219 -13.463 8.074 472 HG2 GLU 62 1HG GLU 62 9.197 -13.243 6.756 473 HG3 GLU 62 2HG GLU 62 10.204 -13.815 8.085 474 H HIS 63 H HIS 63 7.401 -9.838 9.388 475 HA HIS 63 HA HIS 63 5.220 -10.707 11.174 476 HB2 HIS 63 1HB HIS 63 6.770 -8.116 11.169 477 HB3 HIS 63 2HB HIS 63 5.235 -8.305 12.006 478 HD1 HIS 63 HD1 HIS 63 5.219 -9.690 14.170 479 HD2 HIS 63 HD2 HIS 63 8.960 -9.405 12.373 480 HE1 HIS 63 HE1 HIS 63 6.865 -10.502 15.894 481 HE2 HIS 63 HE2 HIS 63 9.096 -10.490 14.722 482 H ASP 64 H ASP 64 3.174 -10.048 10.699 483 HA ASP 64 HA ASP 64 2.760 -8.917 8.065 484 HB2 ASP 64 1HB ASP 64 0.408 -9.414 8.391 485 HB3 ASP 64 2HB ASP 64 1.367 -10.814 8.850 486 H TYR 65 H TYR 65 2.118 -6.912 7.612 487 HA TYR 65 HA TYR 65 1.520 -5.119 9.865 488 HB2 TYR 65 1HB TYR 65 3.402 -4.672 7.558 489 HB3 TYR 65 2HB TYR 65 2.699 -3.326 8.450 490 HD1 TYR 65 HD2 TYR 65 3.330 -2.903 10.766 491 HD2 TYR 65 HD1 TYR 65 5.091 -6.092 8.569 492 HE1 TYR 65 HE2 TYR 65 5.099 -3.086 12.462 493 HE2 TYR 65 HE1 TYR 65 6.866 -6.282 10.260 494 HH TYR 65 HH TYR 65 6.720 -4.567 13.281 495 H GLU 66 H GLU 66 0.339 -3.212 9.294 496 HA GLU 66 HA GLU 66 -1.824 -3.860 7.496 497 HB2 GLU 66 1HB GLU 66 -2.327 -3.014 9.714 498 HB3 GLU 66 2HB GLU 66 -1.353 -1.582 9.425 499 HG2 GLU 66 1HG GLU 66 -2.938 -0.882 7.684 500 HG3 GLU 66 2HG GLU 66 -3.926 -2.298 8.041 501 H VAL 67 H VAL 67 -2.044 -3.087 5.490 502 HA VAL 67 HA VAL 67 -0.169 -1.173 4.439 503 HB VAL 67 HB VAL 67 -2.631 -2.359 3.136 504 HG11 VAL 67 1HG1 VAL 67 -1.610 -1.646 1.027 505 HG12 VAL 67 2HG1 VAL 67 -0.295 -0.884 1.923 506 HG13 VAL 67 3HG1 VAL 67 -1.941 -0.271 2.081 507 HG21 VAL 67 3HG2 VAL 67 -1.062 -3.852 1.992 508 HG22 VAL 67 1HG2 VAL 67 -1.005 -4.071 3.741 509 HG23 VAL 67 2HG2 VAL 67 0.268 -3.165 2.924 510 H LYS 68 H LYS 68 -0.425 0.805 5.279 511 HA LYS 68 HA LYS 68 -3.077 1.943 5.597 512 HB2 LYS 68 1HB LYS 68 -0.340 3.062 6.238 513 HB3 LYS 68 2HB LYS 68 -1.866 3.851 6.617 514 HG2 LYS 68 1HG LYS 68 -2.469 1.993 8.079 515 HG3 LYS 68 2HG LYS 68 -0.946 1.192 7.690 516 HD2 LYS 68 1HD LYS 68 0.305 3.007 8.697 517 HD3 LYS 68 2HD LYS 68 -1.190 3.897 9.007 518 HE2 LYS 68 1HE LYS 68 -1.959 2.043 10.451 519 HE3 LYS 68 2HE LYS 68 -0.419 1.228 10.189 520 HZ1 LYS 68 3HZ LYS 68 -0.530 2.451 12.302 521 HZ2 LYS 68 1HZ LYS 68 -0.717 3.903 11.454 522 HZ3 LYS 68 2HZ LYS 68 0.718 3.013 11.307 523 H VAL 69 H VAL 69 -4.018 3.063 4.053 524 HA VAL 69 HA VAL 69 -2.433 3.800 1.707 525 HB VAL 69 HB VAL 69 -5.443 3.741 2.012 526 HG11 VAL 69 1HG1 VAL 69 -5.454 3.711 -0.445 527 HG12 VAL 69 2HG1 VAL 69 -3.698 3.886 -0.444 528 HG13 VAL 69 3HG1 VAL 69 -4.714 5.177 0.199 529 HG21 VAL 69 3HG2 VAL 69 -3.599 1.653 0.851 530 HG22 VAL 69 1HG2 VAL 69 -5.362 1.607 0.807 531 HG23 VAL 69 2HG2 VAL 69 -4.517 1.515 2.352 532 H GLU 70 H GLU 70 -2.327 5.862 0.900 533 HA GLU 70 HA GLU 70 -2.842 8.074 2.623 534 HB2 GLU 70 1HB GLU 70 -1.022 8.039 0.938 535 HB3 GLU 70 2HB GLU 70 -2.222 8.009 -0.344 536 HG2 GLU 70 1HG GLU 70 -1.441 10.224 -0.192 537 HG3 GLU 70 2HG GLU 70 -3.054 10.212 0.519 538 HA PRO 71 HA PRO 71 -7.246 8.099 1.760 539 HB2 PRO 71 1HB PRO 71 -7.647 10.611 2.888 540 HB3 PRO 71 2HB PRO 71 -7.707 9.074 3.755 541 HG2 PRO 71 1HG PRO 71 -5.481 11.051 3.548 542 HG3 PRO 71 2HG PRO 71 -5.990 10.072 4.936 543 HD2 PRO 71 1HD PRO 71 -3.828 9.427 3.497 544 HD3 PRO 71 2HD PRO 71 -4.903 8.178 4.159 545 H ILE 72 H ILE 72 -8.121 8.573 -0.119 546 HA ILE 72 HA ILE 72 -7.047 10.788 -1.697 547 HB ILE 72 HB ILE 72 -9.005 8.660 -2.592 548 HG12 ILE 72 1HG1 ILE 72 -6.825 7.899 -3.876 549 HG13 ILE 72 2HG1 ILE 72 -6.012 8.678 -2.525 550 HG21 ILE 72 1HG2 ILE 72 -9.050 10.669 -3.947 551 HG22 ILE 72 2HG2 ILE 72 -8.323 9.338 -4.847 552 HG23 ILE 72 3HG2 ILE 72 -7.300 10.593 -4.151 553 HD11 ILE 72 3HD1 ILE 72 -8.011 6.437 -2.327 554 HD12 ILE 72 1HD1 ILE 72 -7.197 7.217 -0.972 555 HD13 ILE 72 2HD1 ILE 72 -6.262 6.296 -2.150 556 HA PRO 73 HA PRO 73 -10.565 13.204 -0.395 557 HB2 PRO 73 1HB PRO 73 -10.131 15.287 -2.124 558 HB3 PRO 73 2HB PRO 73 -9.285 15.086 -0.587 559 HG2 PRO 73 1HG PRO 73 -8.383 14.394 -3.353 560 HG3 PRO 73 2HG PRO 73 -7.466 15.132 -2.025 561 HD2 PRO 73 1HD PRO 73 -7.226 12.523 -2.651 562 HD3 PRO 73 2HD PRO 73 -7.110 13.104 -0.977 563 H ASN 74 H ASN 74 -12.607 13.158 -1.012 564 HA ASN 74 HA ASN 74 -14.506 13.174 -2.230 565 HB2 ASN 74 1HB ASN 74 -13.717 14.928 -3.619 566 HB3 ASN 74 2HB ASN 74 -12.644 13.847 -4.501 567 HD21 ASN 74 2HD2 ASN 74 -13.382 12.843 -6.270 568 HD22 ASN 74 1HD2 ASN 74 -15.014 12.917 -6.845 569 H ILE 75 H ILE 75 -11.888 11.179 -3.425 570 HA ILE 75 HA ILE 75 -13.694 9.430 -4.852 571 HB ILE 75 HB ILE 75 -10.737 9.155 -4.298 572 HG12 ILE 75 1HG1 ILE 75 -11.278 11.110 -5.677 573 HG13 ILE 75 2HG1 ILE 75 -10.465 9.876 -6.632 574 HG21 ILE 75 1HG2 ILE 75 -12.511 7.618 -6.188 575 HG22 ILE 75 2HG2 ILE 75 -11.755 6.992 -4.723 576 HG23 ILE 75 3HG2 ILE 75 -10.755 7.486 -6.090 577 HD11 ILE 75 3HD1 ILE 75 -13.424 10.418 -6.604 578 HD12 ILE 75 1HD1 ILE 75 -12.609 9.187 -7.568 579 HD13 ILE 75 2HD1 ILE 75 -12.288 10.895 -7.867 580 H LYS 76 H LYS 76 -14.432 7.484 -4.226 581 HA LYS 76 HA LYS 76 -14.122 6.793 -1.397 582 HB2 LYS 76 1HB LYS 76 -16.383 7.152 -2.237 583 HB3 LYS 76 2HB LYS 76 -16.135 5.951 -3.490 584 HG2 LYS 76 1HG LYS 76 -16.056 4.189 -1.859 585 HG3 LYS 76 2HG LYS 76 -16.126 5.362 -0.539 586 HD2 LYS 76 1HD LYS 76 -18.330 6.083 -1.274 587 HD3 LYS 76 2HD LYS 76 -18.260 4.967 -2.636 588 HE2 LYS 76 1HE LYS 76 -18.147 4.123 0.253 589 HE3 LYS 76 2HE LYS 76 -19.627 4.171 -0.703 590 HZ1 LYS 76 3HZ LYS 76 -18.498 2.620 -2.284 591 HZ2 LYS 76 1HZ LYS 76 -18.817 1.964 -0.749 592 HZ3 LYS 76 2HZ LYS 76 -17.246 2.458 -1.146 593 H ILE 77 H ILE 77 -12.858 5.124 -0.821 594 HA ILE 77 HA ILE 77 -11.777 3.441 -2.948 595 HB ILE 77 HB ILE 77 -10.184 4.498 -1.417 596 HG12 ILE 77 1HG1 ILE 77 -10.257 1.493 -1.074 597 HG13 ILE 77 2HG1 ILE 77 -9.641 2.333 -2.493 598 HG21 ILE 77 1HG2 ILE 77 -11.468 2.807 0.721 599 HG22 ILE 77 2HG2 ILE 77 -11.531 4.567 0.601 600 HG23 ILE 77 3HG2 ILE 77 -9.995 3.758 0.912 601 HD11 ILE 77 3HD1 ILE 77 -7.911 3.373 -1.117 602 HD12 ILE 77 1HD1 ILE 77 -7.832 1.613 -1.051 603 HD13 ILE 77 2HD1 ILE 77 -8.527 2.515 0.295 604 H VAL 78 H VAL 78 -12.343 1.413 -3.291 605 HA VAL 78 HA VAL 78 -14.331 0.224 -1.487 606 HB VAL 78 HB VAL 78 -13.630 -0.593 -4.308 607 HG11 VAL 78 1HG1 VAL 78 -15.977 -1.288 -2.549 608 HG12 VAL 78 2HG1 VAL 78 -14.674 -2.368 -3.046 609 HG13 VAL 78 3HG1 VAL 78 -15.804 -1.739 -4.246 610 HG21 VAL 78 3HG2 VAL 78 -14.463 1.673 -4.324 611 HG22 VAL 78 1HG2 VAL 78 -15.848 1.201 -3.338 612 HG23 VAL 78 2HG2 VAL 78 -15.682 0.579 -4.980 613 H GLU 79 H GLU 79 -11.541 -0.757 -3.454 614 HA GLU 79 HA GLU 79 -11.325 -3.188 -1.808 615 HB2 GLU 79 1HB GLU 79 -10.459 -2.665 -4.655 616 HB3 GLU 79 2HB GLU 79 -10.068 -4.127 -3.763 617 HG2 GLU 79 1HG GLU 79 -12.842 -3.173 -4.429 618 HG3 GLU 79 2HG GLU 79 -11.956 -4.442 -5.274 619 H ILE 80 H ILE 80 -9.474 -3.638 -0.775 620 HA ILE 80 HA ILE 80 -7.052 -2.126 -1.517 621 HB ILE 80 HB ILE 80 -7.746 -2.973 1.307 622 HG12 ILE 80 1HG1 ILE 80 -7.794 -0.191 0.106 623 HG13 ILE 80 2HG1 ILE 80 -9.222 -1.141 0.501 624 HG21 ILE 80 1HG2 ILE 80 -5.359 -2.896 0.842 625 HG22 ILE 80 2HG2 ILE 80 -5.821 -1.580 1.921 626 HG23 ILE 80 3HG2 ILE 80 -5.518 -1.255 0.214 627 HD11 ILE 80 3HD1 ILE 80 -8.770 0.521 2.207 628 HD12 ILE 80 1HD1 ILE 80 -7.161 -0.153 2.459 629 HD13 ILE 80 2HD1 ILE 80 -8.590 -1.108 2.858 630 H SER 81 H SER 81 -6.085 -3.726 -2.691 631 HA SER 81 HA SER 81 -5.618 -6.290 -1.312 632 HB2 SER 81 1HB SER 81 -5.968 -5.989 -4.296 633 HB3 SER 81 2HB SER 81 -5.930 -7.482 -3.357 634 HG SER 81 HG SER 81 -7.863 -6.239 -2.274 635 HA PRO 82 HA PRO 82 -4.352 -7.267 -0.513 636 HB2 PRO 82 1HB PRO 82 -1.893 -7.215 0.907 637 HB3 PRO 82 2HB PRO 82 -2.518 -8.520 -0.100 638 HG2 PRO 82 1HG PRO 82 -0.267 -6.976 -0.658 639 HG3 PRO 82 2HG PRO 82 -1.146 -7.981 -1.822 640 HD2 PRO 82 1HD PRO 82 -1.289 -5.034 -1.369 641 HD3 PRO 82 2HD PRO 82 -1.417 -5.955 -2.884 642 H ARG 83 H ARG 83 -4.373 -7.075 1.897 643 HA ARG 83 HA ARG 83 -4.501 -4.224 2.634 644 HB2 ARG 83 1HB ARG 83 -6.480 -6.143 2.625 645 HB3 ARG 83 2HB ARG 83 -5.962 -6.130 4.305 646 HG2 ARG 83 1HG ARG 83 -6.528 -3.864 4.570 647 HG3 ARG 83 2HG ARG 83 -6.690 -3.623 2.827 648 HD2 ARG 83 1HD ARG 83 -8.458 -5.308 4.594 649 HD3 ARG 83 2HD ARG 83 -8.881 -3.774 3.829 650 HE ARG 83 HE ARG 83 -8.351 -5.144 1.668 651 HH11 ARG 83 1HH1 ARG 83 -9.892 -6.356 4.570 652 HH12 ARG 83 2HH1 ARG 83 -10.916 -7.474 3.716 653 HH21 ARG 83 1HH2 ARG 83 -9.695 -6.627 0.535 654 HH22 ARG 83 2HH2 ARG 83 -10.796 -7.639 1.432 655 H VAL 84 H VAL 84 -3.517 -7.435 3.605 656 HA VAL 84 HA VAL 84 -1.844 -6.234 5.712 657 HB VAL 84 HB VAL 84 -3.081 -8.997 5.760 658 HG11 VAL 84 1HG1 VAL 84 -2.193 -9.114 8.042 659 HG12 VAL 84 2HG1 VAL 84 -1.416 -7.547 7.815 660 HG13 VAL 84 3HG1 VAL 84 -0.908 -8.931 6.848 661 HG21 VAL 84 3HG2 VAL 84 -4.405 -8.151 7.655 662 HG22 VAL 84 1HG2 VAL 84 -4.770 -7.303 6.153 663 HG23 VAL 84 2HG2 VAL 84 -3.752 -6.539 7.373 664 H VAL 85 H VAL 85 0.237 -6.380 5.187 665 HA VAL 85 HA VAL 85 1.042 -8.507 3.318 666 HB VAL 85 HB VAL 85 3.017 -7.066 2.801 667 HG11 VAL 85 1HG1 VAL 85 1.787 -5.489 1.387 668 HG12 VAL 85 2HG1 VAL 85 0.313 -5.830 2.293 669 HG13 VAL 85 3HG1 VAL 85 1.074 -7.100 1.335 670 HG21 VAL 85 3HG2 VAL 85 1.508 -4.996 4.398 671 HG22 VAL 85 1HG2 VAL 85 2.945 -4.698 3.420 672 HG23 VAL 85 2HG2 VAL 85 3.046 -5.731 4.845 673 H THR 86 H THR 86 2.893 -9.706 3.705 674 HA THR 86 HA THR 86 3.757 -9.721 6.507 675 HB THR 86 HB THR 86 4.290 -11.791 4.362 676 HG1 THR 86 HG1 THR 86 1.998 -11.315 5.218 677 HG21 THR 86 3HG2 THR 86 5.885 -11.846 6.217 678 HG22 THR 86 1HG2 THR 86 4.820 -13.251 6.266 679 HG23 THR 86 2HG2 THR 86 4.552 -11.904 7.372 680 H LEU 87 H LEU 87 5.469 -8.481 6.877 681 HA LEU 87 HA LEU 87 7.465 -8.162 4.750 682 HB2 LEU 87 1HB LEU 87 6.987 -6.500 7.225 683 HB3 LEU 87 2HB LEU 87 8.203 -6.177 6.005 684 HG LEU 87 HG LEU 87 5.213 -6.086 5.596 685 HD11 LEU 87 1HD1 LEU 87 7.283 -3.895 5.660 686 HD12 LEU 87 2HD1 LEU 87 6.064 -4.213 6.895 687 HD13 LEU 87 3HD1 LEU 87 5.573 -3.690 5.284 688 HD21 LEU 87 3HD2 LEU 87 6.360 -6.870 3.590 689 HD22 LEU 87 1HD2 LEU 87 7.454 -5.489 3.667 690 HD23 LEU 87 2HD2 LEU 87 5.734 -5.237 3.366 691 H GLN 88 H GLN 88 9.287 -9.236 4.923 692 HA GLN 88 HA GLN 88 10.082 -10.415 7.449 693 HB2 GLN 88 1HB GLN 88 10.287 -11.606 5.244 694 HB3 GLN 88 2HB GLN 88 11.529 -10.448 4.791 695 HG2 GLN 88 1HG GLN 88 12.902 -11.201 6.672 696 HG3 GLN 88 2HG GLN 88 11.660 -12.379 7.095 697 HE21 GLN 88 2HE2 GLN 88 12.956 -14.153 6.780 698 HE22 GLN 88 1HE2 GLN 88 13.505 -14.648 5.216 699 H LEU 89 H LEU 89 10.727 -8.808 8.797 700 HA LEU 89 HA LEU 89 12.464 -6.705 7.790 701 HB2 LEU 89 1HB LEU 89 11.145 -7.121 10.466 702 HB3 LEU 89 2HB LEU 89 12.216 -5.779 10.108 703 HG LEU 89 HG LEU 89 9.578 -6.345 8.764 704 HD11 LEU 89 1HD1 LEU 89 9.335 -5.518 11.042 705 HD12 LEU 89 2HD1 LEU 89 8.858 -4.285 9.874 706 HD13 LEU 89 3HD1 LEU 89 10.423 -4.178 10.680 707 HD21 LEU 89 3HD2 LEU 89 9.914 -4.188 7.662 708 HD22 LEU 89 1HD2 LEU 89 11.164 -5.349 7.214 709 HD23 LEU 89 2HD2 LEU 89 11.521 -4.076 8.381 710 H GLU 90 H GLU 90 14.550 -6.673 8.008 711 HA GLU 90 HA GLU 90 15.812 -8.492 9.942 712 HB2 GLU 90 1HB GLU 90 16.658 -8.710 7.654 713 HB3 GLU 90 2HB GLU 90 17.026 -6.989 7.607 714 HG2 GLU 90 1HG GLU 90 18.609 -7.331 9.487 715 HG3 GLU 90 2HG GLU 90 18.309 -9.063 9.371 716 H HIS 91 H HIS 91 16.382 -7.620 11.820 717 HA HIS 91 HA HIS 91 16.642 -4.798 12.201 718 HB2 HIS 91 1HB HIS 91 15.984 -6.417 14.015 719 HB3 HIS 91 2HB HIS 91 17.633 -7.026 14.003 720 HD1 HIS 91 HD1 HIS 91 15.525 -4.235 15.241 721 HD2 HIS 91 HD2 HIS 91 19.563 -5.236 15.106 722 HE1 HIS 91 HE1 HIS 91 16.661 -2.703 16.877 723 HE2 HIS 91 HE2 HIS 91 19.046 -3.495 16.956 724 H HIS 92 H HIS 92 18.257 -3.705 11.339 725 HA HIS 92 HA HIS 92 20.474 -4.737 10.083 726 HB2 HIS 92 1HB HIS 92 19.756 -2.047 11.108 727 HB3 HIS 92 2HB HIS 92 21.452 -2.321 10.727 728 HD1 HIS 92 HD1 HIS 92 22.029 -2.876 8.234 729 HD2 HIS 92 HD2 HIS 92 18.082 -1.759 8.916 730 HE1 HIS 92 HE1 HIS 92 21.079 -2.334 5.971 731 HE2 HIS 92 HE2 HIS 92 18.757 -1.473 6.430 732 H HIS 93 H HIS 93 22.163 -5.770 10.754 733 HA HIS 93 HA HIS 93 22.582 -6.162 13.548 734 HB2 HIS 93 1HB HIS 93 24.076 -7.171 11.128 735 HB3 HIS 93 2HB HIS 93 24.433 -7.667 12.781 736 HD1 HIS 93 HD1 HIS 93 22.304 -8.472 9.934 737 HD2 HIS 93 HD2 HIS 93 22.166 -9.017 14.055 738 HE1 HIS 93 HE1 HIS 93 20.564 -10.238 10.325 739 HE2 HIS 93 HE2 HIS 93 20.637 -10.686 12.802 740 H HIS 94 H HIS 94 23.722 -3.817 11.424 741 HA HIS 94 HA HIS 94 26.195 -3.294 12.782 742 HB2 HIS 94 1HB HIS 94 25.704 -2.505 10.451 743 HB3 HIS 94 2HB HIS 94 24.532 -1.377 11.126 744 HD1 HIS 94 HD1 HIS 94 28.224 -2.174 11.666 745 HD2 HIS 94 HD2 HIS 94 25.608 1.064 11.531 746 HE1 HIS 94 HE1 HIS 94 29.654 -0.123 11.997 747 HE2 HIS 94 HE2 HIS 94 28.062 1.831 11.842 748 H HIS 95 H HIS 95 22.975 -3.007 13.549 749 HA HIS 95 HA HIS 95 23.584 -1.190 15.788 750 HB2 HIS 95 1HB HIS 95 20.983 -1.633 14.301 751 HB3 HIS 95 2HB HIS 95 21.058 -0.844 15.870 752 HD1 HIS 95 HD1 HIS 95 20.962 1.602 15.663 753 HD2 HIS 95 HD2 HIS 95 22.912 -0.134 12.419 754 HE1 HIS 95 HE1 HIS 95 21.597 3.507 14.148 755 HE2 HIS 95 HE2 HIS 95 22.928 2.454 12.287 756 H HIS 96 H HIS 96 22.343 -1.780 17.796 757 HA HIS 96 HA HIS 96 22.442 -4.687 18.064 758 HB2 HIS 96 1HB HIS 96 22.388 -2.477 20.116 759 HB3 HIS 96 2HB HIS 96 22.278 -4.183 20.537 760 HD1 HIS 96 HD1 HIS 96 24.646 -2.150 21.275 761 HD2 HIS 96 HD2 HIS 96 24.686 -5.085 18.329 762 HE1 HIS 96 HE1 HIS 96 27.074 -2.679 20.873 763 HE2 HIS 96 HE2 HIS 96 27.077 -4.319 18.960 Start of MODEL 10 1 H1 SER 1 1H SER 1 -21.429 -6.720 -22.537 2 H2 SER 1 2H SER 1 -21.981 -7.364 -21.069 3 H3 SER 1 3H SER 1 -20.422 -7.736 -21.626 4 HA SER 1 HA SER 1 -21.382 -5.054 -20.841 5 HB2 SER 1 1HB SER 1 -19.559 -7.010 -19.421 6 HB3 SER 1 2HB SER 1 -19.828 -5.339 -18.918 7 HG SER 1 HG SER 1 -22.075 -5.866 -18.735 8 H SER 2 H SER 2 -20.450 -3.665 -22.171 9 HA SER 2 HA SER 2 -17.630 -4.078 -22.894 10 HB2 SER 2 1HB SER 2 -19.650 -2.152 -24.079 11 HB3 SER 2 2HB SER 2 -18.012 -2.435 -24.670 12 HG SER 2 HG SER 2 -18.821 -4.758 -24.783 13 H GLN 3 H GLN 3 -19.842 -1.432 -21.956 14 HA GLN 3 HA GLN 3 -17.592 -0.143 -20.575 15 HB2 GLN 3 1HB GLN 3 -20.297 0.943 -21.387 16 HB3 GLN 3 2HB GLN 3 -19.088 1.852 -20.488 17 HG2 GLN 3 1HG GLN 3 -18.770 0.749 -23.272 18 HG3 GLN 3 2HG GLN 3 -19.054 2.435 -22.843 19 HE21 GLN 3 2HE2 GLN 3 -16.832 1.204 -24.296 20 HE22 GLN 3 1HE2 GLN 3 -15.401 1.631 -23.411 21 H THR 4 H THR 4 -17.425 -0.900 -18.569 22 HA THR 4 HA THR 4 -19.684 -0.616 -16.777 23 HB THR 4 HB THR 4 -18.845 -3.089 -15.961 24 HG1 THR 4 HG1 THR 4 -17.742 -3.096 -18.166 25 HG21 THR 4 3HG2 THR 4 -21.163 -2.333 -16.103 26 HG22 THR 4 1HG2 THR 4 -20.973 -3.916 -16.857 27 HG23 THR 4 2HG2 THR 4 -21.112 -2.472 -17.860 28 H LEU 5 H LEU 5 -16.415 -2.064 -16.944 29 HA LEU 5 HA LEU 5 -15.960 -1.409 -14.160 30 HB2 LEU 5 1HB LEU 5 -14.331 -2.863 -16.230 31 HB3 LEU 5 2HB LEU 5 -13.690 -2.483 -14.647 32 HG LEU 5 HG LEU 5 -14.408 -4.732 -14.558 33 HD11 LEU 5 1HD1 LEU 5 -16.535 -3.025 -13.283 34 HD12 LEU 5 2HD1 LEU 5 -14.970 -3.443 -12.585 35 HD13 LEU 5 3HD1 LEU 5 -16.171 -4.702 -12.872 36 HD21 LEU 5 3HD2 LEU 5 -17.053 -3.832 -15.689 37 HD22 LEU 5 1HD2 LEU 5 -16.666 -5.466 -15.147 38 HD23 LEU 5 2HD2 LEU 5 -15.823 -4.773 -16.532 39 H ASP 6 H ASP 6 -16.150 0.757 -16.205 40 HA ASP 6 HA ASP 6 -13.505 1.978 -15.783 41 HB2 ASP 6 1HB ASP 6 -14.129 1.959 -18.117 42 HB3 ASP 6 2HB ASP 6 -15.699 2.665 -17.748 43 H ARG 7 H ARG 7 -16.905 2.241 -15.117 44 HA ARG 7 HA ARG 7 -16.758 4.905 -14.045 45 HB2 ARG 7 1HB ARG 7 -18.925 2.810 -13.820 46 HB3 ARG 7 2HB ARG 7 -19.082 4.488 -13.319 47 HG2 ARG 7 1HG ARG 7 -18.769 5.226 -15.609 48 HG3 ARG 7 2HG ARG 7 -18.530 3.558 -16.130 49 HD2 ARG 7 1HD ARG 7 -20.808 3.022 -15.390 50 HD3 ARG 7 2HD ARG 7 -21.039 4.703 -14.912 51 HE ARG 7 HE ARG 7 -20.433 5.059 -17.447 52 HH11 ARG 7 1HH1 ARG 7 -22.487 2.600 -16.017 53 HH12 ARG 7 2HH1 ARG 7 -23.505 2.467 -17.420 54 HH21 ARG 7 1HH2 ARG 7 -21.767 4.881 -19.283 55 HH22 ARG 7 2HH2 ARG 7 -23.110 3.779 -19.275 56 H ASP 8 H ASP 8 -15.960 1.832 -12.943 57 HA ASP 8 HA ASP 8 -15.440 3.005 -10.318 58 HB2 ASP 8 1HB ASP 8 -15.863 0.842 -9.219 59 HB3 ASP 8 2HB ASP 8 -17.306 1.469 -9.998 60 HA PRO 9 HA PRO 9 -11.638 1.791 -12.446 61 HB2 PRO 9 1HB PRO 9 -10.376 4.004 -11.078 62 HB3 PRO 9 2HB PRO 9 -10.740 3.829 -12.794 63 HG2 PRO 9 1HG PRO 9 -11.987 5.625 -11.159 64 HG3 PRO 9 2HG PRO 9 -12.733 4.936 -12.613 65 HD2 PRO 9 1HD PRO 9 -13.112 4.172 -9.742 66 HD3 PRO 9 2HD PRO 9 -14.318 4.312 -11.041 67 H THR 10 H THR 10 -9.497 1.193 -11.815 68 HA THR 10 HA THR 10 -9.254 0.499 -8.953 69 HB THR 10 HB THR 10 -8.043 -1.032 -11.264 70 HG1 THR 10 HG1 THR 10 -10.398 -1.074 -11.241 71 HG21 THR 10 3HG2 THR 10 -7.771 -2.801 -9.584 72 HG22 THR 10 1HG2 THR 10 -8.468 -1.744 -8.356 73 HG23 THR 10 2HG2 THR 10 -6.927 -1.328 -9.106 74 H LEU 11 H LEU 11 -7.554 1.406 -7.953 75 HA LEU 11 HA LEU 11 -5.530 2.708 -9.634 76 HB2 LEU 11 1HB LEU 11 -6.253 3.161 -6.738 77 HB3 LEU 11 2HB LEU 11 -4.992 4.018 -7.601 78 HG LEU 11 HG LEU 11 -7.940 4.122 -8.253 79 HD11 LEU 11 1HD1 LEU 11 -7.818 6.417 -7.422 80 HD12 LEU 11 2HD1 LEU 11 -6.134 6.167 -6.967 81 HD13 LEU 11 3HD1 LEU 11 -7.409 5.256 -6.159 82 HD21 LEU 11 3HD2 LEU 11 -6.551 4.397 -10.234 83 HD22 LEU 11 1HD2 LEU 11 -5.606 5.639 -9.413 84 HD23 LEU 11 2HD2 LEU 11 -7.306 5.925 -9.782 85 H THR 12 H THR 12 -3.340 2.462 -9.213 86 HA THR 12 HA THR 12 -2.617 0.268 -7.393 87 HB THR 12 HB THR 12 -1.260 0.854 -10.034 88 HG1 THR 12 HG1 THR 12 -3.453 -0.753 -9.356 89 HG21 THR 12 3HG2 THR 12 -0.244 -1.357 -9.689 90 HG22 THR 12 1HG2 THR 12 -1.066 -1.489 -8.133 91 HG23 THR 12 2HG2 THR 12 0.164 -0.250 -8.378 92 H LEU 13 H LEU 13 -1.768 1.379 -5.724 93 HA LEU 13 HA LEU 13 0.009 3.647 -6.296 94 HB2 LEU 13 1HB LEU 13 -1.262 2.825 -3.681 95 HB3 LEU 13 2HB LEU 13 -0.322 4.278 -3.960 96 HG LEU 13 HG LEU 13 -3.003 3.648 -5.197 97 HD11 LEU 13 1HD1 LEU 13 -3.809 5.493 -3.815 98 HD12 LEU 13 2HD1 LEU 13 -2.208 5.652 -3.092 99 HD13 LEU 13 3HD1 LEU 13 -3.153 4.186 -2.828 100 HD21 LEU 13 3HD2 LEU 13 -1.609 4.944 -6.712 101 HD22 LEU 13 1HD2 LEU 13 -1.270 6.104 -5.427 102 HD23 LEU 13 2HD2 LEU 13 -2.910 5.937 -6.055 103 H SER 14 H SER 14 1.994 3.844 -5.073 104 HA SER 14 HA SER 14 3.275 1.257 -4.749 105 HB2 SER 14 1HB SER 14 4.318 3.211 -6.016 106 HB3 SER 14 2HB SER 14 4.552 3.983 -4.449 107 HG SER 14 HG SER 14 6.125 2.238 -5.630 108 H LEU 15 H LEU 15 3.951 0.419 -2.830 109 HA LEU 15 HA LEU 15 2.956 1.651 -0.409 110 HB2 LEU 15 1HB LEU 15 2.799 -0.797 -0.831 111 HB3 LEU 15 2HB LEU 15 4.549 -0.891 -0.779 112 HG LEU 15 HG LEU 15 4.480 -0.109 1.583 113 HD11 LEU 15 1HD1 LEU 15 2.356 1.079 1.503 114 HD12 LEU 15 2HD1 LEU 15 2.344 -0.148 2.768 115 HD13 LEU 15 3HD1 LEU 15 1.502 -0.443 1.246 116 HD21 LEU 15 3HD2 LEU 15 2.874 -2.590 0.968 117 HD22 LEU 15 1HD2 LEU 15 3.656 -2.223 2.507 118 HD23 LEU 15 2HD2 LEU 15 4.632 -2.483 1.062 119 H ILE 16 H ILE 16 4.123 2.906 0.914 120 HA ILE 16 HA ILE 16 7.029 3.012 0.460 121 HB ILE 16 HB ILE 16 6.987 5.255 1.470 122 HG12 ILE 16 1HG1 ILE 16 3.973 4.980 1.417 123 HG13 ILE 16 2HG1 ILE 16 4.952 4.884 2.877 124 HG21 ILE 16 1HG2 ILE 16 6.833 5.026 -0.941 125 HG22 ILE 16 2HG2 ILE 16 5.875 6.403 -0.394 126 HG23 ILE 16 3HG2 ILE 16 5.077 4.893 -0.835 127 HD11 ILE 16 3HD1 ILE 16 5.702 7.185 2.509 128 HD12 ILE 16 1HD1 ILE 16 3.947 7.072 2.652 129 HD13 ILE 16 2HD1 ILE 16 4.692 7.273 1.066 130 H ALA 17 H ALA 17 8.448 2.846 2.120 131 HA ALA 17 HA ALA 17 7.566 1.602 4.552 132 HB1 ALA 17 3HB ALA 17 9.663 0.948 3.481 133 HB2 ALA 17 1HB ALA 17 9.941 1.541 5.118 134 HB3 ALA 17 2HB ALA 17 10.303 2.571 3.733 135 H LYS 18 H LYS 18 6.564 2.839 6.024 136 HA LYS 18 HA LYS 18 7.376 5.640 6.278 137 HB2 LYS 18 1HB LYS 18 5.002 5.186 5.838 138 HB3 LYS 18 2HB LYS 18 4.913 4.224 7.306 139 HG2 LYS 18 1HG LYS 18 5.615 6.314 8.551 140 HG3 LYS 18 2HG LYS 18 5.304 7.186 7.047 141 HD2 LYS 18 1HD LYS 18 3.006 6.480 7.054 142 HD3 LYS 18 2HD LYS 18 3.289 5.440 8.452 143 HE2 LYS 18 1HE LYS 18 4.022 7.581 9.651 144 HE3 LYS 18 2HE LYS 18 3.247 8.435 8.315 145 HZ1 LYS 18 3HZ LYS 18 1.166 7.578 8.889 146 HZ2 LYS 18 1HZ LYS 18 1.862 7.999 10.375 147 HZ3 LYS 18 2HZ LYS 18 1.821 6.372 9.889 148 H ASN 19 H ASN 19 8.479 6.340 7.948 149 HA ASN 19 HA ASN 19 9.450 6.533 9.989 150 HB2 ASN 19 1HB ASN 19 7.069 4.868 10.819 151 HB3 ASN 19 2HB ASN 19 8.214 5.565 11.960 152 HD21 ASN 19 2HD2 ASN 19 5.351 6.055 11.614 153 HD22 ASN 19 1HD2 ASN 19 5.196 7.759 11.349 154 H THR 20 H THR 20 10.064 4.255 8.192 155 HA THR 20 HA THR 20 10.724 2.005 9.827 156 HB THR 20 HB THR 20 11.770 2.726 7.078 157 HG1 THR 20 HG1 THR 20 9.293 2.004 7.948 158 HG21 THR 20 3HG2 THR 20 13.016 0.923 8.188 159 HG22 THR 20 1HG2 THR 20 12.071 0.304 6.833 160 HG23 THR 20 2HG2 THR 20 11.506 0.062 8.486 161 HA PRO 21 HA PRO 21 14.541 3.866 11.283 162 HB2 PRO 21 1HB PRO 21 15.215 1.961 13.039 163 HB3 PRO 21 2HB PRO 21 13.861 3.057 13.338 164 HG2 PRO 21 1HG PRO 21 13.832 0.229 12.372 165 HG3 PRO 21 2HG PRO 21 12.755 1.030 13.531 166 HD2 PRO 21 1HD PRO 21 12.150 0.592 10.874 167 HD3 PRO 21 2HD PRO 21 11.404 1.845 11.884 168 H ALA 22 H ALA 22 16.839 3.111 11.576 169 HA ALA 22 HA ALA 22 17.611 1.680 9.162 170 HB1 ALA 22 3HB ALA 22 18.651 3.842 9.715 171 HB2 ALA 22 1HB ALA 22 19.835 2.538 9.598 172 HB3 ALA 22 2HB ALA 22 19.324 3.124 11.180 173 H ASN 23 H ASN 23 16.762 0.646 12.072 174 HA ASN 23 HA ASN 23 18.991 -1.186 12.517 175 HB2 ASN 23 1HB ASN 23 17.736 0.023 14.392 176 HB3 ASN 23 2HB ASN 23 16.404 -1.083 14.067 177 HD21 ASN 23 2HD2 ASN 23 19.606 -0.739 15.313 178 HD22 ASN 23 1HD2 ASN 23 19.698 -2.291 16.077 179 H SER 24 H SER 24 16.039 -1.043 10.899 180 HA SER 24 HA SER 24 15.851 -3.965 10.754 181 HB2 SER 24 1HB SER 24 13.393 -3.564 10.300 182 HB3 SER 24 2HB SER 24 13.918 -3.173 11.938 183 HG SER 24 HG SER 24 13.872 -1.201 9.917 184 H MET 25 H MET 25 16.259 -4.735 8.812 185 HA MET 25 HA MET 25 16.231 -2.874 6.544 186 HB2 MET 25 1HB MET 25 18.373 -3.899 6.963 187 HB3 MET 25 2HB MET 25 17.652 -5.503 6.976 188 HG2 MET 25 1HG MET 25 17.058 -5.228 4.601 189 HG3 MET 25 2HG MET 25 17.865 -3.662 4.603 190 HE1 MET 25 3HE MET 25 18.320 -7.548 4.963 191 HE2 MET 25 1HE MET 25 18.988 -6.941 6.479 192 HE3 MET 25 2HE MET 25 20.051 -7.673 5.279 193 H ILE 26 H ILE 26 14.873 -3.156 4.890 194 HA ILE 26 HA ILE 26 12.935 -5.329 5.083 195 HB ILE 26 HB ILE 26 12.914 -3.158 2.993 196 HG12 ILE 26 1HG1 ILE 26 11.741 -2.989 5.781 197 HG13 ILE 26 2HG1 ILE 26 13.148 -2.091 5.221 198 HG21 ILE 26 1HG2 ILE 26 11.372 -5.015 2.688 199 HG22 ILE 26 2HG2 ILE 26 10.488 -3.542 3.086 200 HG23 ILE 26 3HG2 ILE 26 10.740 -4.780 4.317 201 HD11 ILE 26 3HD1 ILE 26 11.756 -0.933 3.588 202 HD12 ILE 26 1HD1 ILE 26 11.158 -0.704 5.231 203 HD13 ILE 26 2HD1 ILE 26 10.347 -1.837 4.148 204 H MET 27 H MET 27 13.569 -7.194 4.165 205 HA MET 27 HA MET 27 15.479 -7.253 2.024 206 HB2 MET 27 1HB MET 27 15.479 -9.026 3.685 207 HB3 MET 27 2HB MET 27 13.824 -9.455 3.272 208 HG2 MET 27 1HG MET 27 14.497 -10.228 1.109 209 HG3 MET 27 2HG MET 27 16.137 -9.632 1.358 210 HE1 MET 27 3HE MET 27 14.339 -13.123 3.797 211 HE2 MET 27 1HE MET 27 13.432 -12.234 2.573 212 HE3 MET 27 2HE MET 27 13.918 -11.432 4.066 213 H THR 28 H THR 28 12.011 -7.540 2.305 214 HA THR 28 HA THR 28 11.658 -8.266 -0.471 215 HB THR 28 HB THR 28 9.565 -7.382 1.525 216 HG1 THR 28 HG1 THR 28 10.452 -10.026 0.910 217 HG21 THR 28 3HG2 THR 28 9.366 -9.051 -0.985 218 HG22 THR 28 1HG2 THR 28 8.822 -7.383 -0.810 219 HG23 THR 28 2HG2 THR 28 8.036 -8.667 0.108 220 H LYS 29 H LYS 29 11.352 -6.857 -2.126 221 HA LYS 29 HA LYS 29 11.508 -4.049 -1.746 222 HB2 LYS 29 1HB LYS 29 10.501 -5.597 -4.143 223 HB3 LYS 29 2HB LYS 29 10.884 -3.883 -4.131 224 HG2 LYS 29 1HG LYS 29 13.226 -4.468 -3.551 225 HG3 LYS 29 2HG LYS 29 12.799 -6.170 -3.750 226 HD2 LYS 29 1HD LYS 29 12.053 -5.625 -6.073 227 HD3 LYS 29 2HD LYS 29 12.710 -4.004 -5.843 228 HE2 LYS 29 1HE LYS 29 14.926 -4.979 -5.422 229 HE3 LYS 29 2HE LYS 29 14.257 -6.589 -5.691 230 HZ1 LYS 29 3HZ LYS 29 13.549 -5.649 -7.948 231 HZ2 LYS 29 1HZ LYS 29 15.189 -6.026 -7.720 232 HZ3 LYS 29 2HZ LYS 29 14.670 -4.414 -7.642 233 H LEU 30 H LEU 30 9.912 -2.486 -1.803 234 HA LEU 30 HA LEU 30 7.440 -3.228 -0.647 235 HB2 LEU 30 1HB LEU 30 8.495 -0.630 -1.722 236 HB3 LEU 30 2HB LEU 30 6.860 -0.773 -1.109 237 HG LEU 30 HG LEU 30 8.209 0.150 0.625 238 HD11 LEU 30 1HD1 LEU 30 6.549 -1.456 1.358 239 HD12 LEU 30 2HD1 LEU 30 7.970 -1.509 2.401 240 HD13 LEU 30 3HD1 LEU 30 7.719 -2.766 1.192 241 HD21 LEU 30 3HD2 LEU 30 10.402 -0.527 -0.173 242 HD22 LEU 30 1HD2 LEU 30 10.059 -2.201 0.260 243 HD23 LEU 30 2HD2 LEU 30 10.190 -0.974 1.520 244 HA PRO 31 HA PRO 31 5.501 -4.214 -4.549 245 HB2 PRO 31 1HB PRO 31 3.150 -4.922 -3.004 246 HB3 PRO 31 2HB PRO 31 4.250 -5.976 -3.892 247 HG2 PRO 31 1HG PRO 31 4.067 -5.936 -1.171 248 HG3 PRO 31 2HG PRO 31 5.532 -6.402 -2.052 249 HD2 PRO 31 1HD PRO 31 4.868 -3.818 -0.704 250 HD3 PRO 31 2HD PRO 31 6.411 -4.693 -0.781 251 H SER 32 H SER 32 3.514 -3.654 -5.672 252 HA SER 32 HA SER 32 2.528 -1.017 -4.905 253 HB2 SER 32 1HB SER 32 2.034 -2.589 -7.447 254 HB3 SER 32 2HB SER 32 1.690 -0.878 -7.180 255 HG SER 32 HG SER 32 4.189 -1.075 -6.586 256 H VAL 33 H VAL 33 0.517 -0.687 -4.138 257 HA VAL 33 HA VAL 33 -1.046 -3.052 -3.511 258 HB VAL 33 HB VAL 33 -2.399 -1.595 -2.092 259 HG11 VAL 33 1HG1 VAL 33 -0.651 -0.913 -0.493 260 HG12 VAL 33 2HG1 VAL 33 0.568 -1.195 -1.737 261 HG13 VAL 33 3HG1 VAL 33 -0.396 -2.540 -1.127 262 HG21 VAL 33 3HG2 VAL 33 -0.650 0.642 -3.108 263 HG22 VAL 33 1HG2 VAL 33 -1.815 0.770 -1.789 264 HG23 VAL 33 2HG2 VAL 33 -2.373 0.434 -3.427 265 H ARG 34 H ARG 34 -3.119 -3.446 -4.138 266 HA ARG 34 HA ARG 34 -4.080 -1.882 -6.438 267 HB2 ARG 34 1HB ARG 34 -3.688 -4.325 -6.789 268 HB3 ARG 34 2HB ARG 34 -4.899 -4.663 -5.559 269 HG2 ARG 34 1HG ARG 34 -6.520 -3.344 -6.988 270 HG3 ARG 34 2HG ARG 34 -5.293 -3.404 -8.253 271 HD2 ARG 34 1HD ARG 34 -6.869 -5.191 -8.592 272 HD3 ARG 34 2HD ARG 34 -5.316 -5.870 -8.106 273 HE ARG 34 HE ARG 34 -6.233 -6.478 -6.039 274 HH11 ARG 34 1HH1 ARG 34 -8.595 -4.931 -8.123 275 HH12 ARG 34 2HH1 ARG 34 -9.950 -5.352 -7.111 276 HH21 ARG 34 1HH2 ARG 34 -8.021 -7.070 -4.742 277 HH22 ARG 34 2HH2 ARG 34 -9.627 -6.592 -5.217 278 H VAL 35 H VAL 35 -5.460 -0.365 -5.794 279 HA VAL 35 HA VAL 35 -7.504 -1.145 -3.828 280 HB VAL 35 HB VAL 35 -7.664 1.307 -3.243 281 HG11 VAL 35 1HG1 VAL 35 -6.577 -0.285 -1.769 282 HG12 VAL 35 2HG1 VAL 35 -5.719 1.254 -1.744 283 HG13 VAL 35 3HG1 VAL 35 -5.065 -0.105 -2.656 284 HG21 VAL 35 3HG2 VAL 35 -5.029 1.436 -4.710 285 HG22 VAL 35 1HG2 VAL 35 -5.701 2.711 -3.692 286 HG23 VAL 35 2HG2 VAL 35 -6.525 2.243 -5.179 287 H LYS 36 H LYS 36 -9.404 -1.399 -4.792 288 HA LYS 36 HA LYS 36 -9.891 -0.034 -7.309 289 HB2 LYS 36 1HB LYS 36 -10.428 -2.476 -6.998 290 HB3 LYS 36 2HB LYS 36 -11.704 -1.989 -5.889 291 HG2 LYS 36 1HG LYS 36 -12.934 -0.942 -7.589 292 HG3 LYS 36 2HG LYS 36 -11.563 -0.955 -8.699 293 HD2 LYS 36 1HD LYS 36 -11.686 -3.429 -8.748 294 HD3 LYS 36 2HD LYS 36 -13.131 -3.344 -7.736 295 HE2 LYS 36 1HE LYS 36 -14.313 -2.123 -9.434 296 HE3 LYS 36 2HE LYS 36 -12.856 -2.001 -10.418 297 HZ1 LYS 36 3HZ LYS 36 -14.360 -3.723 -11.207 298 HZ2 LYS 36 1HZ LYS 36 -14.250 -4.534 -9.726 299 HZ3 LYS 36 2HZ LYS 36 -12.884 -4.382 -10.719 300 H THR 37 H THR 37 -11.574 1.396 -7.649 301 HA THR 37 HA THR 37 -12.701 2.586 -5.207 302 HB THR 37 HB THR 37 -12.218 4.827 -6.193 303 HG1 THR 37 HG1 THR 37 -11.109 3.196 -8.185 304 HG21 THR 37 3HG2 THR 37 -10.734 3.899 -4.481 305 HG22 THR 37 1HG2 THR 37 -9.827 4.859 -5.649 306 HG23 THR 37 2HG2 THR 37 -9.783 3.098 -5.731 307 H GLU 38 H GLU 38 -14.280 4.450 -5.984 308 HA GLU 38 HA GLU 38 -15.704 3.618 -8.414 309 HB2 GLU 38 1HB GLU 38 -16.996 4.306 -5.766 310 HB3 GLU 38 2HB GLU 38 -17.865 4.103 -7.280 311 HG2 GLU 38 1HG GLU 38 -17.057 1.773 -7.387 312 HG3 GLU 38 2HG GLU 38 -16.304 1.996 -5.807 313 H GLY 39 H GLY 39 -16.187 5.261 -9.741 314 HA2 GLY 39 1HA GLY 39 -17.046 7.638 -9.778 315 HA3 GLY 39 2HA GLY 39 -15.685 7.986 -8.719 316 H TYR 40 H TYR 40 -14.617 9.380 -10.091 317 HA TYR 40 HA TYR 40 -13.329 8.062 -12.368 318 HB2 TYR 40 1HB TYR 40 -14.680 10.760 -12.416 319 HB3 TYR 40 2HB TYR 40 -13.472 10.282 -13.605 320 HD1 TYR 40 HD2 TYR 40 -13.934 7.990 -14.795 321 HD2 TYR 40 HD1 TYR 40 -16.913 10.338 -12.872 322 HE1 TYR 40 HE2 TYR 40 -15.664 6.870 -16.129 323 HE2 TYR 40 HE1 TYR 40 -18.656 9.222 -14.201 324 HH TYR 40 HH TYR 40 -18.089 6.400 -15.966 325 H ASN 41 H ASN 41 -11.318 9.054 -13.016 326 HA ASN 41 HA ASN 41 -10.029 10.493 -10.787 327 HB2 ASN 41 1HB ASN 41 -8.627 8.867 -12.918 328 HB3 ASN 41 2HB ASN 41 -7.944 9.487 -11.422 329 HD21 ASN 41 2HD2 ASN 41 -10.260 8.691 -9.818 330 HD22 ASN 41 1HD2 ASN 41 -10.153 6.974 -9.661 331 HA PRO 42 HA PRO 42 -10.012 13.486 -14.226 332 HB2 PRO 42 1HB PRO 42 -10.333 15.708 -12.717 333 HB3 PRO 42 2HB PRO 42 -11.680 14.676 -13.206 334 HG2 PRO 42 1HG PRO 42 -10.317 14.894 -10.577 335 HG3 PRO 42 2HG PRO 42 -12.010 14.532 -10.941 336 HD2 PRO 42 1HD PRO 42 -10.047 12.671 -10.248 337 HD3 PRO 42 2HD PRO 42 -11.611 12.300 -10.999 338 H SER 43 H SER 43 -8.690 15.062 -11.340 339 HA SER 43 HA SER 43 -6.127 15.317 -12.747 340 HB2 SER 43 1HB SER 43 -5.789 17.229 -11.079 341 HB3 SER 43 2HB SER 43 -7.025 17.474 -12.313 342 HG SER 43 HG SER 43 -7.301 17.562 -9.678 343 H ILE 44 H ILE 44 -7.116 13.047 -11.121 344 HA ILE 44 HA ILE 44 -5.610 13.085 -8.668 345 HB ILE 44 HB ILE 44 -7.066 10.840 -10.074 346 HG12 ILE 44 1HG1 ILE 44 -8.562 12.603 -9.302 347 HG13 ILE 44 2HG1 ILE 44 -8.757 11.167 -8.302 348 HG21 ILE 44 1HG2 ILE 44 -5.305 9.939 -8.673 349 HG22 ILE 44 2HG2 ILE 44 -6.884 9.616 -7.959 350 HG23 ILE 44 3HG2 ILE 44 -5.870 10.904 -7.309 351 HD11 ILE 44 3HD1 ILE 44 -7.183 13.626 -7.568 352 HD12 ILE 44 1HD1 ILE 44 -7.388 12.190 -6.564 353 HD13 ILE 44 2HD1 ILE 44 -8.783 13.193 -6.964 354 H ASN 45 H ASN 45 -3.465 12.904 -8.695 355 HA ASN 45 HA ASN 45 -2.168 11.536 -10.922 356 HB2 ASN 45 1HB ASN 45 -0.901 13.056 -8.633 357 HB3 ASN 45 2HB ASN 45 -0.093 12.498 -10.094 358 HD21 ASN 45 2HD2 ASN 45 -2.145 14.869 -8.687 359 HD22 ASN 45 1HD2 ASN 45 -2.191 15.948 -10.043 360 H VAL 46 H VAL 46 -2.010 9.421 -10.711 361 HA VAL 46 HA VAL 46 -2.025 8.017 -8.262 362 HB VAL 46 HB VAL 46 -0.988 6.995 -10.911 363 HG11 VAL 46 1HG1 VAL 46 -0.505 5.524 -9.052 364 HG12 VAL 46 2HG1 VAL 46 -1.764 4.816 -10.066 365 HG13 VAL 46 3HG1 VAL 46 -2.189 5.585 -8.535 366 HG21 VAL 46 3HG2 VAL 46 -3.275 6.247 -11.363 367 HG22 VAL 46 1HG2 VAL 46 -3.182 8.003 -11.230 368 HG23 VAL 46 2HG2 VAL 46 -3.827 7.050 -9.893 369 H ASN 47 H ASN 47 0.468 9.536 -10.064 370 HA ASN 47 HA ASN 47 2.674 8.088 -8.934 371 HB2 ASN 47 1HB ASN 47 2.670 10.793 -10.296 372 HB3 ASN 47 2HB ASN 47 4.067 9.757 -10.031 373 HD21 ASN 47 2HD2 ASN 47 4.484 8.117 -11.441 374 HD22 ASN 47 1HD2 ASN 47 3.544 7.819 -12.868 375 H GLU 48 H GLU 48 0.581 10.453 -7.775 376 HA GLU 48 HA GLU 48 2.602 11.611 -5.986 377 HB2 GLU 48 1HB GLU 48 1.301 13.144 -7.473 378 HB3 GLU 48 2HB GLU 48 -0.161 12.652 -6.634 379 HG2 GLU 48 1HG GLU 48 0.517 13.685 -4.633 380 HG3 GLU 48 2HG GLU 48 2.175 13.877 -5.206 381 H LEU 49 H LEU 49 -0.275 9.700 -6.102 382 HA LEU 49 HA LEU 49 -0.693 9.888 -3.218 383 HB2 LEU 49 1HB LEU 49 -2.176 8.166 -5.199 384 HB3 LEU 49 2HB LEU 49 -2.677 8.584 -3.573 385 HG LEU 49 HG LEU 49 -2.524 10.445 -5.942 386 HD11 LEU 49 1HD1 LEU 49 -4.423 8.934 -5.988 387 HD12 LEU 49 2HD1 LEU 49 -4.944 10.585 -5.655 388 HD13 LEU 49 3HD1 LEU 49 -4.856 9.406 -4.346 389 HD21 LEU 49 3HD2 LEU 49 -3.332 11.030 -3.094 390 HD22 LEU 49 1HD2 LEU 49 -3.464 12.144 -4.455 391 HD23 LEU 49 2HD2 LEU 49 -1.876 11.616 -3.899 392 H PHE 50 H PHE 50 -0.251 8.225 -1.781 393 HA PHE 50 HA PHE 50 0.900 5.774 -2.919 394 HB2 PHE 50 1HB PHE 50 2.169 7.482 -0.773 395 HB3 PHE 50 2HB PHE 50 2.697 5.855 -1.181 396 HD1 PHE 50 HD1 PHE 50 3.528 5.424 -3.533 397 HD2 PHE 50 HD2 PHE 50 2.950 9.333 -1.959 398 HE1 PHE 50 HE1 PHE 50 5.010 6.338 -5.270 399 HE2 PHE 50 HE2 PHE 50 4.429 10.254 -3.695 400 HZ PHE 50 HZ PHE 50 5.461 8.756 -5.354 401 H ALA 51 H ALA 51 1.402 4.190 -1.103 402 HA ALA 51 HA ALA 51 -0.630 4.298 1.029 403 HB1 ALA 51 3HB ALA 51 -1.206 2.558 -0.594 404 HB2 ALA 51 1HB ALA 51 -0.720 1.843 0.943 405 HB3 ALA 51 2HB ALA 51 0.400 1.852 -0.419 406 H TYR 52 H TYR 52 0.153 3.930 3.083 407 HA TYR 52 HA TYR 52 3.064 3.517 3.238 408 HB2 TYR 52 1HB TYR 52 2.949 5.093 5.253 409 HB3 TYR 52 2HB TYR 52 2.805 5.813 3.655 410 HD1 TYR 52 HD1 TYR 52 0.602 6.614 2.855 411 HD2 TYR 52 HD2 TYR 52 1.146 5.199 6.832 412 HE1 TYR 52 HE1 TYR 52 -1.507 7.686 3.517 413 HE2 TYR 52 HE2 TYR 52 -0.964 6.268 7.502 414 HH TYR 52 HH TYR 52 -3.221 7.455 5.253 415 H VAL 53 H VAL 53 3.864 2.251 4.805 416 HA VAL 53 HA VAL 53 1.940 1.057 6.686 417 HB VAL 53 HB VAL 53 3.621 -0.840 6.862 418 HG11 VAL 53 1HG1 VAL 53 2.810 -1.951 4.839 419 HG12 VAL 53 2HG1 VAL 53 2.272 -0.397 4.203 420 HG13 VAL 53 3HG1 VAL 53 1.520 -1.065 5.652 421 HG21 VAL 53 3HG2 VAL 53 5.134 -1.169 4.958 422 HG22 VAL 53 1HG2 VAL 53 5.546 0.281 5.872 423 HG23 VAL 53 2HG2 VAL 53 4.692 0.421 4.336 424 H ASP 54 H ASP 54 2.178 1.684 8.707 425 HA ASP 54 HA ASP 54 4.479 3.151 9.572 426 HB2 ASP 54 1HB ASP 54 1.920 2.284 10.865 427 HB3 ASP 54 2HB ASP 54 3.253 2.817 11.882 428 H LEU 55 H LEU 55 6.311 1.998 9.678 429 HA LEU 55 HA LEU 55 6.289 -0.653 10.876 430 HB2 LEU 55 1HB LEU 55 8.468 0.954 9.547 431 HB3 LEU 55 2HB LEU 55 8.732 -0.624 10.265 432 HG LEU 55 HG LEU 55 6.985 0.023 7.892 433 HD11 LEU 55 1HD1 LEU 55 8.491 -1.491 6.711 434 HD12 LEU 55 2HD1 LEU 55 9.432 -1.714 8.186 435 HD13 LEU 55 3HD1 LEU 55 9.372 -0.131 7.409 436 HD21 LEU 55 3HD2 LEU 55 6.484 -2.371 7.815 437 HD22 LEU 55 1HD2 LEU 55 5.865 -1.620 9.285 438 HD23 LEU 55 2HD2 LEU 55 7.336 -2.592 9.343 439 H SER 56 H SER 56 5.651 1.525 12.579 440 HA SER 56 HA SER 56 7.783 2.328 14.213 441 HB2 SER 56 1HB SER 56 5.770 2.420 15.946 442 HB3 SER 56 2HB SER 56 5.880 3.564 14.607 443 HG SER 56 HG SER 56 4.245 1.259 14.845 444 H GLY 57 H GLY 57 5.666 -0.491 14.326 445 HA2 GLY 57 1HA GLY 57 7.025 -1.678 16.572 446 HA3 GLY 57 2HA GLY 57 5.865 -2.473 15.510 447 H SER 58 H SER 58 9.169 -1.221 15.556 448 HA SER 58 HA SER 58 9.918 -2.571 13.166 449 HB2 SER 58 1HB SER 58 11.763 -1.372 15.231 450 HB3 SER 58 2HB SER 58 12.065 -1.589 13.507 451 HG SER 58 HG SER 58 9.955 -0.171 13.479 452 H GLU 59 H GLU 59 9.364 -4.757 13.683 453 HA GLU 59 HA GLU 59 11.332 -6.095 15.411 454 HB2 GLU 59 1HB GLU 59 8.652 -7.005 14.367 455 HB3 GLU 59 2HB GLU 59 9.779 -8.066 15.200 456 HG2 GLU 59 1HG GLU 59 9.653 -6.603 17.173 457 HG3 GLU 59 2HG GLU 59 8.458 -5.613 16.332 458 HA PRO 60 HA PRO 60 13.240 -7.317 11.540 459 HB2 PRO 60 1HB PRO 60 15.035 -8.845 13.290 460 HB3 PRO 60 2HB PRO 60 15.411 -7.531 12.172 461 HG2 PRO 60 1HG PRO 60 15.511 -7.202 14.842 462 HG3 PRO 60 2HG PRO 60 15.015 -5.896 13.749 463 HD2 PRO 60 1HD PRO 60 13.322 -7.707 15.434 464 HD3 PRO 60 2HD PRO 60 13.162 -5.960 15.145 465 H GLY 61 H GLY 61 11.769 -8.701 10.671 466 HA2 GLY 61 1HA GLY 61 12.241 -11.331 10.335 467 HA3 GLY 61 2HA GLY 61 11.243 -11.305 11.786 468 H GLU 62 H GLU 62 10.100 -12.628 9.834 469 HA GLU 62 HA GLU 62 8.588 -10.983 8.042 470 HB2 GLU 62 1HB GLU 62 8.241 -13.881 8.829 471 HB3 GLU 62 2HB GLU 62 7.335 -13.078 7.554 472 HG2 GLU 62 1HG GLU 62 9.495 -12.611 6.409 473 HG3 GLU 62 2HG GLU 62 10.294 -13.601 7.631 474 H HIS 63 H HIS 63 7.287 -9.540 9.011 475 HA HIS 63 HA HIS 63 5.292 -10.596 10.906 476 HB2 HIS 63 1HB HIS 63 6.719 -7.931 11.020 477 HB3 HIS 63 2HB HIS 63 5.315 -8.337 11.999 478 HD1 HIS 63 HD1 HIS 63 8.978 -8.881 11.732 479 HD2 HIS 63 HD2 HIS 63 5.806 -10.223 14.057 480 HE1 HIS 63 HE1 HIS 63 10.026 -10.055 13.692 481 HE2 HIS 63 HE2 HIS 63 8.090 -10.974 15.013 482 H ASP 64 H ASP 64 3.216 -9.829 10.719 483 HA ASP 64 HA ASP 64 2.575 -8.685 8.125 484 HB2 ASP 64 1HB ASP 64 0.878 -9.916 10.299 485 HB3 ASP 64 2HB ASP 64 0.192 -9.170 8.860 486 H TYR 65 H TYR 65 2.401 -6.571 7.893 487 HA TYR 65 HA TYR 65 1.583 -4.966 10.225 488 HB2 TYR 65 1HB TYR 65 3.278 -4.157 7.851 489 HB3 TYR 65 2HB TYR 65 2.790 -3.083 9.160 490 HD1 TYR 65 HD1 TYR 65 3.579 -3.634 11.516 491 HD2 TYR 65 HD2 TYR 65 5.202 -5.487 8.047 492 HE1 TYR 65 HE1 TYR 65 5.560 -4.306 12.809 493 HE2 TYR 65 HE2 TYR 65 7.186 -6.165 9.330 494 HH TYR 65 HH TYR 65 8.393 -5.491 11.353 495 H GLU 66 H GLU 66 0.486 -2.884 9.625 496 HA GLU 66 HA GLU 66 -1.749 -3.556 7.890 497 HB2 GLU 66 1HB GLU 66 -1.344 -1.220 9.764 498 HB3 GLU 66 2HB GLU 66 -2.835 -1.607 8.920 499 HG2 GLU 66 1HG GLU 66 -3.059 -3.656 10.163 500 HG3 GLU 66 2HG GLU 66 -1.497 -3.392 10.938 501 H VAL 67 H VAL 67 -2.103 -2.683 5.954 502 HA VAL 67 HA VAL 67 -0.320 -0.601 4.968 503 HB VAL 67 HB VAL 67 -2.529 -2.101 3.541 504 HG11 VAL 67 1HG1 VAL 67 -1.508 -1.243 1.486 505 HG12 VAL 67 2HG1 VAL 67 -0.364 -0.307 2.448 506 HG13 VAL 67 3HG1 VAL 67 -2.087 0.065 2.518 507 HG21 VAL 67 3HG2 VAL 67 -0.717 -3.576 4.229 508 HG22 VAL 67 1HG2 VAL 67 0.458 -2.500 3.474 509 HG23 VAL 67 2HG2 VAL 67 -0.720 -3.356 2.478 510 H LYS 68 H LYS 68 -0.844 1.484 5.051 511 HA LYS 68 HA LYS 68 -3.689 2.201 5.313 512 HB2 LYS 68 1HB LYS 68 -1.267 3.813 6.136 513 HB3 LYS 68 2HB LYS 68 -2.948 4.256 6.397 514 HG2 LYS 68 1HG LYS 68 -3.237 2.405 7.923 515 HG3 LYS 68 2HG LYS 68 -1.588 1.857 7.606 516 HD2 LYS 68 1HD LYS 68 -0.753 4.023 8.475 517 HD3 LYS 68 2HD LYS 68 -2.411 4.460 8.886 518 HE2 LYS 68 1HE LYS 68 -2.554 2.595 10.422 519 HE3 LYS 68 2HE LYS 68 -0.940 2.057 9.957 520 HZ1 LYS 68 3HZ LYS 68 -0.071 4.183 10.799 521 HZ2 LYS 68 1HZ LYS 68 -0.817 3.261 12.015 522 HZ3 LYS 68 2HZ LYS 68 -1.627 4.595 11.345 523 H VAL 69 H VAL 69 -4.481 2.807 3.418 524 HA VAL 69 HA VAL 69 -2.767 4.069 1.419 525 HB VAL 69 HB VAL 69 -5.700 3.340 1.232 526 HG11 VAL 69 1HG1 VAL 69 -5.346 3.456 -1.189 527 HG12 VAL 69 2HG1 VAL 69 -3.683 3.978 -0.918 528 HG13 VAL 69 3HG1 VAL 69 -5.023 5.003 -0.407 529 HG21 VAL 69 3HG2 VAL 69 -4.964 1.348 0.007 530 HG22 VAL 69 1HG2 VAL 69 -4.379 1.352 1.671 531 HG23 VAL 69 2HG2 VAL 69 -3.284 1.765 0.350 532 H GLU 70 H GLU 70 -2.985 6.192 0.724 533 HA GLU 70 HA GLU 70 -4.260 8.064 2.443 534 HB2 GLU 70 1HB GLU 70 -3.155 8.380 -0.351 535 HB3 GLU 70 2HB GLU 70 -3.719 9.714 0.643 536 HG2 GLU 70 1HG GLU 70 -2.012 9.164 2.316 537 HG3 GLU 70 2HG GLU 70 -1.424 7.875 1.264 538 HA PRO 71 HA PRO 71 -8.343 7.521 0.657 539 HB2 PRO 71 1HB PRO 71 -9.153 9.621 2.524 540 HB3 PRO 71 2HB PRO 71 -9.643 7.927 2.471 541 HG2 PRO 71 1HG PRO 71 -8.063 8.918 4.427 542 HG3 PRO 71 2HG PRO 71 -7.928 7.249 3.844 543 HD2 PRO 71 1HD PRO 71 -6.233 9.631 3.184 544 HD3 PRO 71 2HD PRO 71 -5.742 7.954 3.513 545 H ILE 72 H ILE 72 -9.326 8.550 -0.988 546 HA ILE 72 HA ILE 72 -8.403 11.268 -1.624 547 HB ILE 72 HB ILE 72 -9.887 9.350 -3.438 548 HG12 ILE 72 1HG1 ILE 72 -7.529 9.346 -4.594 549 HG13 ILE 72 2HG1 ILE 72 -6.950 9.765 -2.987 550 HG21 ILE 72 1HG2 ILE 72 -8.417 11.916 -4.014 551 HG22 ILE 72 2HG2 ILE 72 -10.164 11.676 -4.048 552 HG23 ILE 72 3HG2 ILE 72 -9.139 10.855 -5.225 553 HD11 ILE 72 3HD1 ILE 72 -6.802 7.376 -3.390 554 HD12 ILE 72 1HD1 ILE 72 -8.536 7.310 -3.707 555 HD13 ILE 72 2HD1 ILE 72 -7.948 7.726 -2.097 556 HA PRO 73 HA PRO 73 -12.509 12.454 -0.284 557 HB2 PRO 73 1HB PRO 73 -12.147 15.119 -0.356 558 HB3 PRO 73 2HB PRO 73 -11.420 14.114 0.905 559 HG2 PRO 73 1HG PRO 73 -10.178 15.236 -1.576 560 HG3 PRO 73 2HG PRO 73 -9.511 15.139 0.064 561 HD2 PRO 73 1HD PRO 73 -8.895 13.379 -1.946 562 HD3 PRO 73 2HD PRO 73 -8.819 12.973 -0.221 563 H ASN 74 H ASN 74 -11.706 11.961 -3.118 564 HA ASN 74 HA ASN 74 -13.866 13.506 -4.377 565 HB2 ASN 74 1HB ASN 74 -11.146 12.941 -5.588 566 HB3 ASN 74 2HB ASN 74 -12.513 13.607 -6.473 567 HD21 ASN 74 2HD2 ASN 74 -9.831 14.686 -5.881 568 HD22 ASN 74 1HD2 ASN 74 -10.104 16.213 -5.120 569 H ILE 75 H ILE 75 -12.614 10.526 -3.590 570 HA ILE 75 HA ILE 75 -14.108 9.160 -5.699 571 HB ILE 75 HB ILE 75 -11.289 8.323 -4.990 572 HG12 ILE 75 1HG1 ILE 75 -12.147 9.733 -7.526 573 HG13 ILE 75 2HG1 ILE 75 -11.355 10.548 -6.182 574 HG21 ILE 75 1HG2 ILE 75 -13.119 7.509 -7.242 575 HG22 ILE 75 2HG2 ILE 75 -12.772 6.561 -5.798 576 HG23 ILE 75 3HG2 ILE 75 -11.487 6.902 -6.957 577 HD11 ILE 75 3HD1 ILE 75 -10.204 8.298 -7.810 578 HD12 ILE 75 1HD1 ILE 75 -9.407 9.108 -6.461 579 HD13 ILE 75 2HD1 ILE 75 -9.776 10.004 -7.936 580 H LYS 76 H LYS 76 -14.972 7.209 -5.041 581 HA LYS 76 HA LYS 76 -14.974 6.650 -2.203 582 HB2 LYS 76 1HB LYS 76 -16.239 5.093 -4.465 583 HB3 LYS 76 2HB LYS 76 -16.610 4.936 -2.754 584 HG2 LYS 76 1HG LYS 76 -17.565 7.147 -2.709 585 HG3 LYS 76 2HG LYS 76 -17.081 7.423 -4.385 586 HD2 LYS 76 1HD LYS 76 -19.407 6.842 -4.357 587 HD3 LYS 76 2HD LYS 76 -18.503 5.493 -5.047 588 HE2 LYS 76 1HE LYS 76 -18.505 4.497 -2.710 589 HE3 LYS 76 2HE LYS 76 -19.706 5.722 -2.301 590 HZ1 LYS 76 3HZ LYS 76 -21.012 4.837 -4.255 591 HZ2 LYS 76 1HZ LYS 76 -20.901 3.807 -2.908 592 HZ3 LYS 76 2HZ LYS 76 -19.935 3.525 -4.272 593 H ILE 77 H ILE 77 -14.685 4.269 -1.518 594 HA ILE 77 HA ILE 77 -12.447 3.074 -3.009 595 HB ILE 77 HB ILE 77 -11.535 4.329 -1.093 596 HG12 ILE 77 1HG1 ILE 77 -11.319 1.333 -0.729 597 HG13 ILE 77 2HG1 ILE 77 -10.422 2.271 -1.918 598 HG21 ILE 77 1HG2 ILE 77 -13.430 4.182 0.420 599 HG22 ILE 77 2HG2 ILE 77 -11.967 3.577 1.198 600 HG23 ILE 77 3HG2 ILE 77 -13.176 2.445 0.592 601 HD11 ILE 77 3HD1 ILE 77 -9.058 1.758 0.023 602 HD12 ILE 77 1HD1 ILE 77 -10.226 2.565 1.070 603 HD13 ILE 77 2HD1 ILE 77 -9.321 3.495 -0.124 604 H VAL 78 H VAL 78 -12.473 0.891 -3.188 605 HA VAL 78 HA VAL 78 -14.777 -0.482 -1.956 606 HB VAL 78 HB VAL 78 -13.428 -1.197 -4.559 607 HG11 VAL 78 1HG1 VAL 78 -16.023 -2.119 -3.334 608 HG12 VAL 78 2HG1 VAL 78 -14.542 -3.068 -3.494 609 HG13 VAL 78 3HG1 VAL 78 -15.426 -2.564 -4.934 610 HG21 VAL 78 3HG2 VAL 78 -14.454 0.973 -4.790 611 HG22 VAL 78 1HG2 VAL 78 -15.960 0.367 -4.099 612 HG23 VAL 78 2HG2 VAL 78 -15.401 -0.233 -5.661 613 H GLU 79 H GLU 79 -11.512 -1.065 -3.252 614 HA GLU 79 HA GLU 79 -11.283 -3.331 -1.383 615 HB2 GLU 79 1HB GLU 79 -10.134 -3.152 -4.175 616 HB3 GLU 79 2HB GLU 79 -9.896 -4.483 -3.053 617 HG2 GLU 79 1HG GLU 79 -12.328 -4.906 -3.104 618 HG3 GLU 79 2HG GLU 79 -12.488 -3.639 -4.321 619 H ILE 80 H ILE 80 -9.439 -3.514 -0.249 620 HA ILE 80 HA ILE 80 -7.153 -1.827 -1.019 621 HB ILE 80 HB ILE 80 -7.837 -2.683 1.806 622 HG12 ILE 80 1HG1 ILE 80 -8.048 0.063 0.547 623 HG13 ILE 80 2HG1 ILE 80 -9.415 -0.977 0.934 624 HG21 ILE 80 1HG2 ILE 80 -6.028 -1.149 2.448 625 HG22 ILE 80 2HG2 ILE 80 -5.698 -0.839 0.743 626 HG23 ILE 80 3HG2 ILE 80 -5.448 -2.452 1.409 627 HD11 ILE 80 3HD1 ILE 80 -9.103 0.758 2.607 628 HD12 ILE 80 1HD1 ILE 80 -7.468 0.177 2.916 629 HD13 ILE 80 2HD1 ILE 80 -8.853 -0.845 3.297 630 H SER 81 H SER 81 -6.093 -3.388 -2.192 631 HA SER 81 HA SER 81 -5.613 -5.943 -0.824 632 HB2 SER 81 1HB SER 81 -5.694 -5.384 -3.793 633 HB3 SER 81 2HB SER 81 -5.435 -6.960 -3.044 634 HG SER 81 HG SER 81 -7.540 -6.646 -2.033 635 HA PRO 82 HA PRO 82 -4.546 -6.695 0.309 636 HB2 PRO 82 1HB PRO 82 -2.214 -7.055 1.832 637 HB3 PRO 82 2HB PRO 82 -2.886 -8.188 0.661 638 HG2 PRO 82 1HG PRO 82 -0.445 -6.836 0.425 639 HG3 PRO 82 2HG PRO 82 -1.298 -7.682 -0.876 640 HD2 PRO 82 1HD PRO 82 -1.253 -4.765 -0.217 641 HD3 PRO 82 2HD PRO 82 -1.283 -5.567 -1.803 642 H ARG 83 H ARG 83 -4.924 -6.424 2.611 643 HA ARG 83 HA ARG 83 -4.537 -3.670 3.510 644 HB2 ARG 83 1HB ARG 83 -6.163 -5.951 4.651 645 HB3 ARG 83 2HB ARG 83 -6.092 -4.337 5.346 646 HG2 ARG 83 1HG ARG 83 -7.206 -3.384 3.511 647 HG3 ARG 83 2HG ARG 83 -6.976 -4.828 2.523 648 HD2 ARG 83 1HD ARG 83 -8.704 -4.604 4.982 649 HD3 ARG 83 2HD ARG 83 -9.271 -4.675 3.312 650 HE ARG 83 HE ARG 83 -7.648 -6.902 4.254 651 HH11 ARG 83 1HH1 ARG 83 -10.816 -5.650 3.442 652 HH12 ARG 83 2HH1 ARG 83 -11.575 -7.216 3.450 653 HH21 ARG 83 1HH2 ARG 83 -8.634 -8.961 4.266 654 HH22 ARG 83 2HH2 ARG 83 -10.336 -9.104 3.928 655 H VAL 84 H VAL 84 -3.725 -6.964 4.351 656 HA VAL 84 HA VAL 84 -1.832 -5.956 6.373 657 HB VAL 84 HB VAL 84 -3.130 -8.690 6.255 658 HG11 VAL 84 1HG1 VAL 84 -1.320 -7.460 8.327 659 HG12 VAL 84 2HG1 VAL 84 -0.898 -8.759 7.211 660 HG13 VAL 84 3HG1 VAL 84 -2.118 -9.028 8.456 661 HG21 VAL 84 3HG2 VAL 84 -4.736 -6.966 6.890 662 HG22 VAL 84 1HG2 VAL 84 -3.637 -6.393 8.145 663 HG23 VAL 84 2HG2 VAL 84 -4.348 -8.002 8.264 664 H VAL 85 H VAL 85 0.247 -6.179 5.811 665 HA VAL 85 HA VAL 85 0.886 -8.155 3.719 666 HB VAL 85 HB VAL 85 2.823 -6.657 3.131 667 HG11 VAL 85 1HG1 VAL 85 0.048 -5.538 2.772 668 HG12 VAL 85 2HG1 VAL 85 0.821 -6.760 1.762 669 HG13 VAL 85 3HG1 VAL 85 1.459 -5.117 1.802 670 HG21 VAL 85 3HG2 VAL 85 2.911 -5.337 5.176 671 HG22 VAL 85 1HG2 VAL 85 1.312 -4.676 4.835 672 HG23 VAL 85 2HG2 VAL 85 2.668 -4.294 3.775 673 H THR 86 H THR 86 2.389 -9.622 4.105 674 HA THR 86 HA THR 86 3.764 -9.661 6.647 675 HB THR 86 HB THR 86 4.248 -11.581 4.373 676 HG1 THR 86 HG1 THR 86 2.048 -11.500 6.206 677 HG21 THR 86 3HG2 THR 86 4.288 -11.895 7.379 678 HG22 THR 86 1HG2 THR 86 5.702 -11.761 6.333 679 HG23 THR 86 2HG2 THR 86 4.642 -13.165 6.207 680 H LEU 87 H LEU 87 5.295 -8.054 6.664 681 HA LEU 87 HA LEU 87 7.072 -7.769 4.377 682 HB2 LEU 87 1HB LEU 87 6.858 -6.183 6.936 683 HB3 LEU 87 2HB LEU 87 7.977 -5.824 5.633 684 HG LEU 87 HG LEU 87 4.962 -5.740 5.449 685 HD11 LEU 87 1HD1 LEU 87 5.288 -3.329 5.185 686 HD12 LEU 87 2HD1 LEU 87 7.020 -3.536 5.451 687 HD13 LEU 87 3HD1 LEU 87 5.878 -3.898 6.745 688 HD21 LEU 87 3HD2 LEU 87 7.060 -5.050 3.392 689 HD22 LEU 87 1HD2 LEU 87 5.321 -4.815 3.217 690 HD23 LEU 87 2HD2 LEU 87 5.983 -6.446 3.344 691 H GLN 88 H GLN 88 8.969 -8.717 4.260 692 HA GLN 88 HA GLN 88 9.988 -10.174 6.540 693 HB2 GLN 88 1HB GLN 88 11.033 -9.960 3.712 694 HB3 GLN 88 2HB GLN 88 11.660 -11.043 4.946 695 HG2 GLN 88 1HG GLN 88 9.487 -12.168 5.048 696 HG3 GLN 88 2HG GLN 88 8.886 -11.099 3.783 697 HE21 GLN 88 2HE2 GLN 88 9.187 -14.017 3.870 698 HE22 GLN 88 1HE2 GLN 88 10.164 -14.420 2.496 699 H LEU 89 H LEU 89 10.704 -8.625 7.952 700 HA LEU 89 HA LEU 89 12.801 -6.796 7.075 701 HB2 LEU 89 1HB LEU 89 11.552 -7.161 9.805 702 HB3 LEU 89 2HB LEU 89 12.696 -5.910 9.368 703 HG LEU 89 HG LEU 89 9.898 -6.210 8.272 704 HD11 LEU 89 1HD1 LEU 89 9.460 -4.143 9.506 705 HD12 LEU 89 2HD1 LEU 89 11.095 -4.191 10.164 706 HD13 LEU 89 3HD1 LEU 89 9.939 -5.454 10.585 707 HD21 LEU 89 3HD2 LEU 89 11.976 -4.080 7.774 708 HD22 LEU 89 1HD2 LEU 89 10.309 -4.057 7.195 709 HD23 LEU 89 2HD2 LEU 89 11.429 -5.288 6.610 710 H GLU 90 H GLU 90 14.862 -6.756 8.187 711 HA GLU 90 HA GLU 90 15.573 -9.187 9.643 712 HB2 GLU 90 1HB GLU 90 16.232 -8.776 6.926 713 HB3 GLU 90 2HB GLU 90 17.710 -8.507 7.838 714 HG2 GLU 90 1HG GLU 90 15.981 -10.960 8.044 715 HG3 GLU 90 2HG GLU 90 17.447 -10.831 7.076 716 H HIS 91 H HIS 91 17.710 -9.001 10.672 717 HA HIS 91 HA HIS 91 18.023 -6.511 12.001 718 HB2 HIS 91 1HB HIS 91 19.754 -8.980 11.862 719 HB3 HIS 91 2HB HIS 91 20.217 -7.562 12.795 720 HD1 HIS 91 HD1 HIS 91 19.304 -7.385 15.114 721 HD2 HIS 91 HD2 HIS 91 17.330 -10.250 12.829 722 HE1 HIS 91 HE1 HIS 91 17.768 -8.585 16.703 723 HE2 HIS 91 HE2 HIS 91 16.695 -10.409 15.334 724 H HIS 92 H HIS 92 19.187 -4.758 11.460 725 HA HIS 92 HA HIS 92 20.801 -4.742 9.077 726 HB2 HIS 92 1HB HIS 92 19.561 -2.729 9.757 727 HB3 HIS 92 2HB HIS 92 20.485 -2.653 11.252 728 HD1 HIS 92 HD1 HIS 92 20.907 -2.205 7.513 729 HD2 HIS 92 HD2 HIS 92 22.909 -1.367 11.067 730 HE1 HIS 92 HE1 HIS 92 22.820 -0.702 6.881 731 HE2 HIS 92 HE2 HIS 92 23.956 -0.121 9.053 732 H HIS 93 H HIS 93 21.249 -5.192 12.469 733 HA HIS 93 HA HIS 93 24.164 -5.290 12.157 734 HB2 HIS 93 1HB HIS 93 22.433 -5.486 14.636 735 HB3 HIS 93 2HB HIS 93 24.190 -5.584 14.632 736 HD1 HIS 93 HD1 HIS 93 25.506 -3.388 14.275 737 HD2 HIS 93 HD2 HIS 93 21.370 -2.919 14.322 738 HE1 HIS 93 HE1 HIS 93 25.101 -0.912 14.487 739 HE2 HIS 93 HE2 HIS 93 22.600 -0.670 14.685 740 H HIS 94 H HIS 94 25.061 -7.179 11.678 741 HA HIS 94 HA HIS 94 23.570 -9.625 12.376 742 HB2 HIS 94 1HB HIS 94 25.184 -8.948 9.937 743 HB3 HIS 94 2HB HIS 94 24.950 -10.623 10.420 744 HD1 HIS 94 HD1 HIS 94 23.637 -8.459 8.072 745 HD2 HIS 94 HD2 HIS 94 21.873 -10.853 10.983 746 HE1 HIS 94 HE1 HIS 94 21.273 -8.834 7.306 747 HE2 HIS 94 HE2 HIS 94 20.269 -10.407 9.004 748 H HIS 95 H HIS 95 24.476 -10.787 13.878 749 HA HIS 95 HA HIS 95 27.259 -10.397 14.578 750 HB2 HIS 95 1HB HIS 95 25.316 -10.679 16.223 751 HB3 HIS 95 2HB HIS 95 25.348 -12.387 15.803 752 HD1 HIS 95 HD1 HIS 95 27.422 -9.728 17.477 753 HD2 HIS 95 HD2 HIS 95 27.348 -13.862 17.014 754 HE1 HIS 95 HE1 HIS 95 29.140 -10.626 19.086 755 HE2 HIS 95 HE2 HIS 95 29.165 -13.121 18.701 756 H HIS 96 H HIS 96 27.388 -11.295 12.145 757 HA HIS 96 HA HIS 96 28.597 -13.919 12.445 758 HB2 HIS 96 1HB HIS 96 26.287 -13.365 10.603 759 HB3 HIS 96 2HB HIS 96 27.515 -14.536 10.142 760 HD1 HIS 96 HD1 HIS 96 24.370 -14.308 11.851 761 HD2 HIS 96 HD2 HIS 96 27.798 -16.636 12.253 762 HE1 HIS 96 HE1 HIS 96 23.674 -16.327 13.182 763 HE2 HIS 96 HE2 HIS 96 25.706 -17.816 13.224 Start of MODEL 11 1 H1 SER 1 1H SER 1 -22.108 -7.199 -21.102 2 H2 SER 1 2H SER 1 -20.763 -8.125 -20.650 3 H3 SER 1 3H SER 1 -20.859 -7.475 -22.214 4 HA SER 1 HA SER 1 -20.720 -5.254 -21.351 5 HB2 SER 1 1HB SER 1 -20.425 -6.641 -18.672 6 HB3 SER 1 2HB SER 1 -20.237 -4.911 -18.953 7 HG SER 1 HG SER 1 -22.303 -4.776 -18.676 8 H SER 2 H SER 2 -18.635 -4.266 -20.668 9 HA SER 2 HA SER 2 -16.420 -5.781 -21.650 10 HB2 SER 2 1HB SER 2 -16.171 -3.163 -20.190 11 HB3 SER 2 2HB SER 2 -15.242 -3.758 -21.568 12 HG SER 2 HG SER 2 -16.696 -2.966 -22.880 13 H GLN 3 H GLN 3 -14.899 -6.870 -20.507 14 HA GLN 3 HA GLN 3 -15.329 -7.537 -17.803 15 HB2 GLN 3 1HB GLN 3 -12.849 -7.832 -19.507 16 HB3 GLN 3 2HB GLN 3 -13.057 -8.562 -17.921 17 HG2 GLN 3 1HG GLN 3 -14.803 -9.101 -20.314 18 HG3 GLN 3 2HG GLN 3 -13.481 -10.130 -19.765 19 HE21 GLN 3 2HE2 GLN 3 -16.367 -10.650 -20.032 20 HE22 GLN 3 1HE2 GLN 3 -16.884 -11.188 -18.468 21 H THR 4 H THR 4 -13.102 -5.257 -19.342 22 HA THR 4 HA THR 4 -12.638 -4.058 -16.694 23 HB THR 4 HB THR 4 -11.108 -3.549 -19.256 24 HG1 THR 4 HG1 THR 4 -10.907 -5.719 -18.262 25 HG21 THR 4 3HG2 THR 4 -9.462 -2.495 -17.772 26 HG22 THR 4 1HG2 THR 4 -10.517 -2.792 -16.390 27 HG23 THR 4 2HG2 THR 4 -11.026 -1.689 -17.669 28 H LEU 5 H LEU 5 -14.078 -2.521 -16.285 29 HA LEU 5 HA LEU 5 -15.306 -1.087 -18.520 30 HB2 LEU 5 1HB LEU 5 -16.694 -2.262 -16.786 31 HB3 LEU 5 2HB LEU 5 -16.114 -1.097 -15.612 32 HG LEU 5 HG LEU 5 -17.181 0.720 -16.869 33 HD11 LEU 5 1HD1 LEU 5 -18.689 0.208 -18.727 34 HD12 LEU 5 2HD1 LEU 5 -18.185 -1.481 -18.671 35 HD13 LEU 5 3HD1 LEU 5 -17.023 -0.229 -19.108 36 HD21 LEU 5 3HD2 LEU 5 -19.503 0.110 -16.400 37 HD22 LEU 5 1HD2 LEU 5 -18.428 -0.404 -15.099 38 HD23 LEU 5 2HD2 LEU 5 -19.032 -1.584 -16.261 39 H ASP 6 H ASP 6 -15.437 1.160 -18.586 40 HA ASP 6 HA ASP 6 -13.096 2.479 -17.577 41 HB2 ASP 6 1HB ASP 6 -15.309 3.225 -19.440 42 HB3 ASP 6 2HB ASP 6 -14.297 4.497 -18.765 43 H ARG 7 H ARG 7 -16.075 1.953 -16.204 44 HA ARG 7 HA ARG 7 -16.527 4.487 -14.987 45 HB2 ARG 7 1HB ARG 7 -17.488 1.716 -14.278 46 HB3 ARG 7 2HB ARG 7 -17.942 3.144 -13.364 47 HG2 ARG 7 1HG ARG 7 -18.879 4.093 -15.483 48 HG3 ARG 7 2HG ARG 7 -18.594 2.517 -16.229 49 HD2 ARG 7 1HD ARG 7 -20.027 1.455 -14.572 50 HD3 ARG 7 2HD ARG 7 -20.281 3.006 -13.776 51 HE ARG 7 HE ARG 7 -21.072 2.756 -16.585 52 HH11 ARG 7 1HH1 ARG 7 -22.007 2.944 -13.209 53 HH12 ARG 7 2HH1 ARG 7 -23.663 3.329 -13.561 54 HH21 ARG 7 1HH2 ARG 7 -23.263 3.254 -17.035 55 HH22 ARG 7 2HH2 ARG 7 -24.374 3.496 -15.717 56 H ASP 8 H ASP 8 -15.758 1.479 -13.295 57 HA ASP 8 HA ASP 8 -14.703 2.847 -11.044 58 HB2 ASP 8 1HB ASP 8 -14.389 -0.074 -11.758 59 HB3 ASP 8 2HB ASP 8 -14.233 0.645 -10.160 60 HA PRO 9 HA PRO 9 -10.523 3.123 -12.705 61 HB2 PRO 9 1HB PRO 9 -9.945 4.682 -10.318 62 HB3 PRO 9 2HB PRO 9 -9.954 5.203 -12.005 63 HG2 PRO 9 1HG PRO 9 -11.798 6.037 -10.192 64 HG3 PRO 9 2HG PRO 9 -12.148 5.873 -11.923 65 HD2 PRO 9 1HD PRO 9 -12.798 4.004 -9.671 66 HD3 PRO 9 2HD PRO 9 -13.807 4.500 -11.049 67 H THR 10 H THR 10 -9.323 1.357 -12.410 68 HA THR 10 HA THR 10 -8.997 0.188 -9.768 69 HB THR 10 HB THR 10 -7.589 -0.713 -12.280 70 HG1 THR 10 HG1 THR 10 -9.886 -0.556 -12.664 71 HG21 THR 10 3HG2 THR 10 -6.861 -1.727 -10.181 72 HG22 THR 10 1HG2 THR 10 -7.707 -2.910 -11.177 73 HG23 THR 10 2HG2 THR 10 -8.526 -2.168 -9.802 74 H LEU 11 H LEU 11 -7.752 1.573 -8.586 75 HA LEU 11 HA LEU 11 -5.537 2.946 -9.840 76 HB2 LEU 11 1HB LEU 11 -7.054 4.147 -8.338 77 HB3 LEU 11 2HB LEU 11 -6.605 3.080 -7.021 78 HG LEU 11 HG LEU 11 -4.332 3.950 -7.044 79 HD11 LEU 11 1HD1 LEU 11 -5.289 5.720 -9.290 80 HD12 LEU 11 2HD1 LEU 11 -4.134 4.395 -9.431 81 HD13 LEU 11 3HD1 LEU 11 -3.722 5.826 -8.486 82 HD21 LEU 11 3HD2 LEU 11 -4.808 6.240 -6.313 83 HD22 LEU 11 1HD2 LEU 11 -5.986 5.094 -5.671 84 HD23 LEU 11 2HD2 LEU 11 -6.415 6.132 -7.030 85 H THR 12 H THR 12 -3.545 2.237 -9.849 86 HA THR 12 HA THR 12 -2.721 0.228 -7.876 87 HB THR 12 HB THR 12 -1.325 1.032 -10.440 88 HG1 THR 12 HG1 THR 12 -3.524 -0.134 -10.439 89 HG21 THR 12 3HG2 THR 12 0.165 0.043 -8.767 90 HG22 THR 12 1HG2 THR 12 -0.077 -1.056 -10.125 91 HG23 THR 12 2HG2 THR 12 -0.923 -1.335 -8.604 92 H LEU 13 H LEU 13 -1.594 0.945 -6.197 93 HA LEU 13 HA LEU 13 0.079 3.350 -6.551 94 HB2 LEU 13 1HB LEU 13 -1.389 2.462 -4.064 95 HB3 LEU 13 2HB LEU 13 -0.330 3.855 -4.176 96 HG LEU 13 HG LEU 13 -2.953 3.509 -5.632 97 HD11 LEU 13 1HD1 LEU 13 -3.228 3.899 -3.242 98 HD12 LEU 13 2HD1 LEU 13 -3.730 5.308 -4.177 99 HD13 LEU 13 3HD1 LEU 13 -2.175 5.310 -3.343 100 HD21 LEU 13 3HD2 LEU 13 -1.350 4.793 -6.944 101 HD22 LEU 13 1HD2 LEU 13 -1.048 5.844 -5.560 102 HD23 LEU 13 2HD2 LEU 13 -2.637 5.827 -6.325 103 H SER 14 H SER 14 2.136 3.282 -5.762 104 HA SER 14 HA SER 14 3.254 0.715 -5.178 105 HB2 SER 14 1HB SER 14 4.477 2.500 -6.415 106 HB3 SER 14 2HB SER 14 4.526 3.457 -4.936 107 HG SER 14 HG SER 14 5.699 1.692 -3.977 108 H LEU 15 H LEU 15 3.702 -0.184 -3.244 109 HA LEU 15 HA LEU 15 2.865 1.132 -0.820 110 HB2 LEU 15 1HB LEU 15 2.582 -1.303 -1.174 111 HB3 LEU 15 2HB LEU 15 4.323 -1.485 -1.233 112 HG LEU 15 HG LEU 15 4.433 -0.674 1.126 113 HD11 LEU 15 1HD1 LEU 15 2.344 0.572 1.176 114 HD12 LEU 15 2HD1 LEU 15 2.375 -0.656 2.442 115 HD13 LEU 15 3HD1 LEU 15 1.433 -0.924 0.975 116 HD21 LEU 15 3HD2 LEU 15 4.483 -3.053 0.605 117 HD22 LEU 15 1HD2 LEU 15 2.721 -3.107 0.629 118 HD23 LEU 15 2HD2 LEU 15 3.613 -2.758 2.110 119 H ILE 16 H ILE 16 4.147 2.219 0.588 120 HA ILE 16 HA ILE 16 7.056 2.086 0.144 121 HB ILE 16 HB ILE 16 7.246 4.482 0.653 122 HG12 ILE 16 1HG1 ILE 16 4.231 4.561 0.411 123 HG13 ILE 16 2HG1 ILE 16 5.106 4.656 1.936 124 HG21 ILE 16 1HG2 ILE 16 6.400 5.328 -1.490 125 HG22 ILE 16 2HG2 ILE 16 5.443 3.859 -1.681 126 HG23 ILE 16 3HG2 ILE 16 7.205 3.769 -1.663 127 HD11 ILE 16 3HD1 ILE 16 5.287 6.622 -0.334 128 HD12 ILE 16 1HD1 ILE 16 6.181 6.717 1.183 129 HD13 ILE 16 2HD1 ILE 16 4.422 6.854 1.185 130 H ALA 17 H ALA 17 8.367 2.318 1.922 131 HA ALA 17 HA ALA 17 7.133 1.769 4.494 132 HB1 ALA 17 3HB ALA 17 10.035 2.024 3.707 133 HB2 ALA 17 1HB ALA 17 9.121 0.521 3.818 134 HB3 ALA 17 2HB ALA 17 9.437 1.469 5.271 135 H LYS 18 H LYS 18 6.373 3.465 5.627 136 HA LYS 18 HA LYS 18 7.590 6.087 5.153 137 HB2 LYS 18 1HB LYS 18 5.130 5.817 4.863 138 HB3 LYS 18 2HB LYS 18 5.011 5.414 6.572 139 HG2 LYS 18 1HG LYS 18 4.394 7.713 6.240 140 HG3 LYS 18 2HG LYS 18 5.913 7.636 7.133 141 HD2 LYS 18 1HD LYS 18 7.124 8.016 4.997 142 HD3 LYS 18 2HD LYS 18 5.567 8.227 4.195 143 HE2 LYS 18 1HE LYS 18 6.671 9.914 6.440 144 HE3 LYS 18 2HE LYS 18 6.548 10.384 4.746 145 HZ1 LYS 18 3HZ LYS 18 4.095 10.078 4.972 146 HZ2 LYS 18 1HZ LYS 18 4.736 11.351 5.892 147 HZ3 LYS 18 2HZ LYS 18 4.322 9.889 6.644 148 H ASN 19 H ASN 19 6.133 4.455 7.922 149 HA ASN 19 HA ASN 19 7.756 5.996 9.756 150 HB2 ASN 19 1HB ASN 19 5.615 3.898 10.164 151 HB3 ASN 19 2HB ASN 19 6.472 4.671 11.489 152 HD21 ASN 19 2HD2 ASN 19 4.426 5.367 12.219 153 HD22 ASN 19 1HD2 ASN 19 3.662 6.760 11.522 154 H THR 20 H THR 20 9.596 4.772 8.476 155 HA THR 20 HA THR 20 10.163 2.224 9.838 156 HB THR 20 HB THR 20 11.159 3.150 7.138 157 HG1 THR 20 HG1 THR 20 8.964 1.591 7.971 158 HG21 THR 20 3HG2 THR 20 11.355 0.461 8.509 159 HG22 THR 20 1HG2 THR 20 12.688 1.588 8.255 160 HG23 THR 20 2HG2 THR 20 11.900 0.828 6.872 161 HA PRO 21 HA PRO 21 13.688 4.387 11.607 162 HB2 PRO 21 1HB PRO 21 14.404 1.702 12.563 163 HB3 PRO 21 2HB PRO 21 14.042 3.159 13.492 164 HG2 PRO 21 1HG PRO 21 12.356 1.061 13.423 165 HG3 PRO 21 2HG PRO 21 11.775 2.734 13.529 166 HD2 PRO 21 1HD PRO 21 11.914 0.922 11.146 167 HD3 PRO 21 2HD PRO 21 10.624 2.043 11.635 168 H ALA 22 H ALA 22 15.870 4.500 11.096 169 HA ALA 22 HA ALA 22 16.568 3.324 8.573 170 HB1 ALA 22 3HB ALA 22 17.169 5.629 9.135 171 HB2 ALA 22 1HB ALA 22 18.587 4.665 8.717 172 HB3 ALA 22 2HB ALA 22 18.239 5.036 10.406 173 H ASN 23 H ASN 23 16.979 2.350 11.790 174 HA ASN 23 HA ASN 23 19.387 0.806 11.274 175 HB2 ASN 23 1HB ASN 23 17.675 1.135 13.741 176 HB3 ASN 23 2HB ASN 23 19.052 0.041 13.663 177 HD21 ASN 23 2HD2 ASN 23 18.569 2.446 15.305 178 HD22 ASN 23 1HD2 ASN 23 19.919 3.480 14.991 179 H SER 24 H SER 24 16.290 0.431 10.464 180 HA SER 24 HA SER 24 16.488 -2.497 10.593 181 HB2 SER 24 1HB SER 24 13.890 -2.377 10.532 182 HB3 SER 24 2HB SER 24 14.716 -2.089 12.064 183 HG SER 24 HG SER 24 14.107 0.056 10.333 184 H MET 25 H MET 25 16.526 -3.434 8.663 185 HA MET 25 HA MET 25 15.724 -1.801 6.344 186 HB2 MET 25 1HB MET 25 18.118 -2.122 6.383 187 HB3 MET 25 2HB MET 25 17.924 -3.855 6.608 188 HG2 MET 25 1HG MET 25 16.962 -4.058 4.391 189 HG3 MET 25 2HG MET 25 17.084 -2.315 4.162 190 HE1 MET 25 3HE MET 25 19.161 -5.605 4.835 191 HE2 MET 25 1HE MET 25 19.747 -4.463 6.045 192 HE3 MET 25 2HE MET 25 20.808 -4.980 4.734 193 H ILE 26 H ILE 26 14.162 -2.576 5.097 194 HA ILE 26 HA ILE 26 12.934 -5.099 5.717 195 HB ILE 26 HB ILE 26 12.281 -3.305 3.377 196 HG12 ILE 26 1HG1 ILE 26 11.207 -3.146 6.205 197 HG13 ILE 26 2HG1 ILE 26 12.299 -1.980 5.465 198 HG21 ILE 26 1HG2 ILE 26 10.624 -5.266 4.963 199 HG22 ILE 26 2HG2 ILE 26 11.254 -5.513 3.334 200 HG23 ILE 26 3HG2 ILE 26 10.040 -4.270 3.631 201 HD11 ILE 26 3HD1 ILE 26 9.490 -2.584 4.569 202 HD12 ILE 26 1HD1 ILE 26 10.583 -1.418 3.823 203 HD13 ILE 26 2HD1 ILE 26 10.015 -1.164 5.475 204 H MET 27 H MET 27 13.200 -7.002 4.693 205 HA MET 27 HA MET 27 15.060 -7.108 2.435 206 HB2 MET 27 1HB MET 27 13.878 -9.272 4.180 207 HB3 MET 27 2HB MET 27 14.910 -9.599 2.795 208 HG2 MET 27 1HG MET 27 16.714 -8.322 3.852 209 HG3 MET 27 2HG MET 27 15.677 -8.034 5.249 210 HE1 MET 27 3HE MET 27 14.907 -9.910 6.944 211 HE2 MET 27 1HE MET 27 15.244 -11.627 6.722 212 HE3 MET 27 2HE MET 27 14.169 -10.789 5.604 213 H THR 28 H THR 28 11.711 -7.487 3.182 214 HA THR 28 HA THR 28 11.054 -8.786 0.695 215 HB THR 28 HB THR 28 8.671 -8.193 1.532 216 HG1 THR 28 HG1 THR 28 9.249 -6.666 3.089 217 HG21 THR 28 3HG2 THR 28 8.680 -10.102 3.069 218 HG22 THR 28 1HG2 THR 28 10.442 -10.047 3.123 219 HG23 THR 28 2HG2 THR 28 9.617 -10.444 1.615 220 H LYS 29 H LYS 29 10.926 -7.703 -1.160 221 HA LYS 29 HA LYS 29 10.885 -4.874 -1.299 222 HB2 LYS 29 1HB LYS 29 10.320 -6.939 -3.434 223 HB3 LYS 29 2HB LYS 29 10.540 -5.217 -3.733 224 HG2 LYS 29 1HG LYS 29 12.809 -5.377 -2.774 225 HG3 LYS 29 2HG LYS 29 12.580 -7.117 -2.599 226 HD2 LYS 29 1HD LYS 29 12.262 -7.304 -5.028 227 HD3 LYS 29 2HD LYS 29 12.530 -5.566 -5.186 228 HE2 LYS 29 1HE LYS 29 14.774 -5.843 -4.226 229 HE3 LYS 29 2HE LYS 29 14.503 -7.581 -4.114 230 HZ1 LYS 29 3HZ LYS 29 14.632 -5.956 -6.598 231 HZ2 LYS 29 1HZ LYS 29 14.218 -7.603 -6.549 232 HZ3 LYS 29 2HZ LYS 29 15.762 -7.103 -6.067 233 H LEU 30 H LEU 30 9.251 -3.474 -1.928 234 HA LEU 30 HA LEU 30 6.714 -4.311 -0.806 235 HB2 LEU 30 1HB LEU 30 7.660 -1.586 -1.683 236 HB3 LEU 30 2HB LEU 30 6.183 -1.920 -0.798 237 HG LEU 30 HG LEU 30 8.986 -2.397 0.225 238 HD11 LEU 30 1HD1 LEU 30 8.500 -0.561 1.760 239 HD12 LEU 30 2HD1 LEU 30 6.946 -0.307 0.968 240 HD13 LEU 30 3HD1 LEU 30 8.443 -0.030 0.079 241 HD21 LEU 30 3HD2 LEU 30 6.319 -2.704 1.599 242 HD22 LEU 30 1HD2 LEU 30 7.899 -2.870 2.361 243 HD23 LEU 30 2HD2 LEU 30 7.397 -4.014 1.119 244 HA PRO 31 HA PRO 31 5.060 -4.859 -4.917 245 HB2 PRO 31 1HB PRO 31 2.554 -5.552 -3.629 246 HB3 PRO 31 2HB PRO 31 3.668 -6.594 -4.512 247 HG2 PRO 31 1HG PRO 31 3.259 -6.759 -1.820 248 HG3 PRO 31 2HG PRO 31 4.767 -7.239 -2.616 249 HD2 PRO 31 1HD PRO 31 4.124 -4.734 -1.120 250 HD3 PRO 31 2HD PRO 31 5.622 -5.688 -1.140 251 H SER 32 H SER 32 2.957 -4.220 -6.010 252 HA SER 32 HA SER 32 2.240 -1.509 -5.190 253 HB2 SER 32 1HB SER 32 1.547 -2.923 -7.773 254 HB3 SER 32 2HB SER 32 1.476 -1.192 -7.445 255 HG SER 32 HG SER 32 3.957 -2.172 -6.950 256 H VAL 33 H VAL 33 0.299 -1.070 -4.345 257 HA VAL 33 HA VAL 33 -1.595 -3.242 -4.003 258 HB VAL 33 HB VAL 33 -1.091 -1.834 -2.066 259 HG11 VAL 33 1HG1 VAL 33 -2.285 0.428 -3.657 260 HG12 VAL 33 2HG1 VAL 33 -0.596 0.261 -3.175 261 HG13 VAL 33 3HG1 VAL 33 -1.844 0.494 -1.951 262 HG21 VAL 33 3HG2 VAL 33 -3.921 -1.484 -3.038 263 HG22 VAL 33 1HG2 VAL 33 -3.379 -1.300 -1.370 264 HG23 VAL 33 2HG2 VAL 33 -3.277 -2.873 -2.161 265 H ARG 34 H ARG 34 -3.426 -3.485 -5.134 266 HA ARG 34 HA ARG 34 -4.132 -1.331 -7.013 267 HB2 ARG 34 1HB ARG 34 -4.603 -4.307 -7.304 268 HB3 ARG 34 2HB ARG 34 -5.104 -3.077 -8.459 269 HG2 ARG 34 1HG ARG 34 -2.709 -2.455 -8.733 270 HG3 ARG 34 2HG ARG 34 -2.290 -3.833 -7.715 271 HD2 ARG 34 1HD ARG 34 -3.745 -3.926 -10.356 272 HD3 ARG 34 2HD ARG 34 -2.075 -4.412 -10.063 273 HE ARG 34 HE ARG 34 -4.482 -5.820 -9.109 274 HH11 ARG 34 1HH1 ARG 34 -1.024 -5.743 -9.714 275 HH12 ARG 34 2HH1 ARG 34 -0.818 -7.453 -9.461 276 HH21 ARG 34 1HH2 ARG 34 -4.208 -8.072 -8.806 277 HH22 ARG 34 2HH2 ARG 34 -2.637 -8.778 -8.983 278 H VAL 35 H VAL 35 -5.793 -0.241 -6.293 279 HA VAL 35 HA VAL 35 -7.848 -1.663 -4.741 280 HB VAL 35 HB VAL 35 -8.416 0.501 -3.731 281 HG11 VAL 35 1HG1 VAL 35 -6.440 0.745 -2.329 282 HG12 VAL 35 2HG1 VAL 35 -5.480 -0.146 -3.510 283 HG13 VAL 35 3HG1 VAL 35 -6.779 -0.957 -2.639 284 HG21 VAL 35 3HG2 VAL 35 -6.065 1.571 -5.290 285 HG22 VAL 35 1HG2 VAL 35 -6.955 2.447 -4.044 286 HG23 VAL 35 2HG2 VAL 35 -7.761 1.987 -5.545 287 H LYS 36 H LYS 36 -9.989 -1.416 -5.234 288 HA LYS 36 HA LYS 36 -10.583 -0.104 -7.787 289 HB2 LYS 36 1HB LYS 36 -11.252 -2.496 -7.449 290 HB3 LYS 36 2HB LYS 36 -12.310 -1.974 -6.147 291 HG2 LYS 36 1HG LYS 36 -13.737 -0.826 -7.638 292 HG3 LYS 36 2HG LYS 36 -12.575 -0.955 -8.962 293 HD2 LYS 36 1HD LYS 36 -12.848 -3.386 -8.965 294 HD3 LYS 36 2HD LYS 36 -14.001 -3.262 -7.636 295 HE2 LYS 36 1HE LYS 36 -14.386 -1.938 -10.315 296 HE3 LYS 36 2HE LYS 36 -15.010 -3.538 -9.921 297 HZ1 LYS 36 3HZ LYS 36 -15.753 -0.955 -8.663 298 HZ2 LYS 36 1HZ LYS 36 -16.209 -2.464 -8.035 299 HZ3 LYS 36 2HZ LYS 36 -16.740 -1.986 -9.571 300 H THR 37 H THR 37 -11.536 1.837 -7.745 301 HA THR 37 HA THR 37 -12.522 2.756 -5.136 302 HB THR 37 HB THR 37 -12.144 5.067 -6.101 303 HG1 THR 37 HG1 THR 37 -10.573 3.668 -8.025 304 HG21 THR 37 3HG2 THR 37 -9.746 3.246 -5.852 305 HG22 THR 37 1HG2 THR 37 -10.578 4.053 -4.522 306 HG23 THR 37 2HG2 THR 37 -9.719 5.006 -5.732 307 H GLU 38 H GLU 38 -14.296 4.287 -5.115 308 HA GLU 38 HA GLU 38 -16.234 3.736 -7.263 309 HB2 GLU 38 1HB GLU 38 -16.795 2.837 -4.974 310 HB3 GLU 38 2HB GLU 38 -16.856 4.499 -4.403 311 HG2 GLU 38 1HG GLU 38 -18.651 4.962 -6.023 312 HG3 GLU 38 2HG GLU 38 -18.610 3.269 -6.514 313 H GLY 39 H GLY 39 -16.318 5.426 -8.579 314 HA2 GLY 39 1HA GLY 39 -17.394 7.778 -8.397 315 HA3 GLY 39 2HA GLY 39 -15.946 8.120 -7.459 316 H TYR 40 H TYR 40 -15.046 9.601 -8.846 317 HA TYR 40 HA TYR 40 -13.730 8.497 -11.166 318 HB2 TYR 40 1HB TYR 40 -16.005 9.282 -11.963 319 HB3 TYR 40 2HB TYR 40 -15.513 10.913 -11.524 320 HD1 TYR 40 HD1 TYR 40 -13.837 12.105 -12.842 321 HD2 TYR 40 HD2 TYR 40 -15.055 8.164 -13.884 322 HE1 TYR 40 HE1 TYR 40 -12.816 12.381 -15.063 323 HE2 TYR 40 HE2 TYR 40 -14.035 8.428 -16.105 324 HH TYR 40 HH TYR 40 -13.472 10.370 -17.641 325 H ASN 41 H ASN 41 -11.714 9.139 -10.884 326 HA ASN 41 HA ASN 41 -11.139 11.642 -9.506 327 HB2 ASN 41 1HB ASN 41 -8.696 10.667 -9.888 328 HB3 ASN 41 2HB ASN 41 -9.730 10.078 -8.591 329 HD21 ASN 41 2HD2 ASN 41 -8.441 9.374 -11.771 330 HD22 ASN 41 1HD2 ASN 41 -8.769 7.678 -11.726 331 HA PRO 42 HA PRO 42 -10.641 13.345 -13.640 332 HB2 PRO 42 1HB PRO 42 -10.753 15.954 -12.402 333 HB3 PRO 42 2HB PRO 42 -11.955 15.167 -13.426 334 HG2 PRO 42 1HG PRO 42 -12.322 15.671 -10.762 335 HG3 PRO 42 2HG PRO 42 -13.133 14.362 -11.640 336 HD2 PRO 42 1HD PRO 42 -10.735 14.245 -9.849 337 HD3 PRO 42 2HD PRO 42 -12.100 13.115 -9.985 338 H SER 43 H SER 43 -9.172 15.366 -11.074 339 HA SER 43 HA SER 43 -6.652 15.248 -12.591 340 HB2 SER 43 1HB SER 43 -7.939 17.412 -12.885 341 HB3 SER 43 2HB SER 43 -7.681 17.712 -11.167 342 HG SER 43 HG SER 43 -5.516 17.894 -11.501 343 H ILE 44 H ILE 44 -7.297 13.589 -10.433 344 HA ILE 44 HA ILE 44 -5.889 14.690 -8.128 345 HB ILE 44 HB ILE 44 -7.190 11.982 -8.500 346 HG12 ILE 44 1HG1 ILE 44 -8.140 14.427 -6.988 347 HG13 ILE 44 2HG1 ILE 44 -8.774 13.888 -8.538 348 HG21 ILE 44 1HG2 ILE 44 -6.970 11.775 -6.064 349 HG22 ILE 44 2HG2 ILE 44 -6.091 13.303 -6.019 350 HG23 ILE 44 3HG2 ILE 44 -5.398 11.912 -6.853 351 HD11 ILE 44 3HD1 ILE 44 -9.563 11.830 -7.501 352 HD12 ILE 44 1HD1 ILE 44 -10.236 13.255 -6.708 353 HD13 ILE 44 2HD1 ILE 44 -8.917 12.364 -5.948 354 H ASN 45 H ASN 45 -3.812 14.208 -7.646 355 HA ASN 45 HA ASN 45 -2.253 12.921 -9.683 356 HB2 ASN 45 1HB ASN 45 -1.516 14.147 -7.029 357 HB3 ASN 45 2HB ASN 45 -0.334 13.383 -8.085 358 HD21 ASN 45 2HD2 ASN 45 0.193 14.359 -10.045 359 HD22 ASN 45 1HD2 ASN 45 -0.184 16.019 -10.366 360 H VAL 46 H VAL 46 -2.897 10.812 -9.728 361 HA VAL 46 HA VAL 46 -2.978 9.131 -7.441 362 HB VAL 46 HB VAL 46 -3.196 7.279 -9.027 363 HG11 VAL 46 1HG1 VAL 46 -5.172 8.582 -8.482 364 HG12 VAL 46 2HG1 VAL 46 -5.240 8.040 -10.159 365 HG13 VAL 46 3HG1 VAL 46 -4.811 9.710 -9.788 366 HG21 VAL 46 3HG2 VAL 46 -3.179 7.702 -11.448 367 HG22 VAL 46 1HG2 VAL 46 -1.603 8.003 -10.716 368 HG23 VAL 46 2HG2 VAL 46 -2.648 9.357 -11.146 369 H ASN 47 H ASN 47 -0.419 10.328 -9.321 370 HA ASN 47 HA ASN 47 1.388 8.141 -8.705 371 HB2 ASN 47 1HB ASN 47 1.776 10.788 -10.101 372 HB3 ASN 47 2HB ASN 47 3.106 9.686 -9.763 373 HD21 ASN 47 2HD2 ASN 47 3.281 7.784 -10.913 374 HD22 ASN 47 1HD2 ASN 47 2.357 7.472 -12.341 375 H GLU 48 H GLU 48 0.334 11.037 -7.242 376 HA GLU 48 HA GLU 48 2.741 11.267 -5.596 377 HB2 GLU 48 1HB GLU 48 0.289 13.032 -5.647 378 HB3 GLU 48 2HB GLU 48 1.778 13.351 -4.770 379 HG2 GLU 48 1HG GLU 48 1.431 13.252 -7.756 380 HG3 GLU 48 2HG GLU 48 1.698 14.685 -6.767 381 H LEU 49 H LEU 49 -0.488 10.091 -5.513 382 HA LEU 49 HA LEU 49 -0.598 9.873 -2.635 383 HB2 LEU 49 1HB LEU 49 -2.316 8.621 -4.784 384 HB3 LEU 49 2HB LEU 49 -2.635 8.526 -3.062 385 HG LEU 49 HG LEU 49 -2.618 11.065 -4.700 386 HD11 LEU 49 1HD1 LEU 49 -4.516 9.642 -5.228 387 HD12 LEU 49 2HD1 LEU 49 -5.033 11.056 -4.311 388 HD13 LEU 49 3HD1 LEU 49 -4.898 9.489 -3.514 389 HD21 LEU 49 3HD2 LEU 49 -3.513 12.115 -2.683 390 HD22 LEU 49 1HD2 LEU 49 -1.912 11.438 -2.393 391 HD23 LEU 49 2HD2 LEU 49 -3.345 10.592 -1.809 392 H PHE 50 H PHE 50 0.054 8.166 -1.431 393 HA PHE 50 HA PHE 50 0.960 5.765 -2.871 394 HB2 PHE 50 1HB PHE 50 2.416 7.250 -0.683 395 HB3 PHE 50 2HB PHE 50 2.839 5.623 -1.201 396 HD1 PHE 50 HD1 PHE 50 3.534 5.282 -3.610 397 HD2 PHE 50 HD2 PHE 50 3.250 9.117 -1.792 398 HE1 PHE 50 HE1 PHE 50 5.005 6.209 -5.348 399 HE2 PHE 50 HE2 PHE 50 4.717 10.054 -3.531 400 HZ PHE 50 HZ PHE 50 5.598 8.598 -5.311 401 H ALA 51 H ALA 51 1.291 3.897 -1.438 402 HA ALA 51 HA ALA 51 -0.535 3.902 0.873 403 HB1 ALA 51 3HB ALA 51 -1.113 2.252 -0.841 404 HB2 ALA 51 1HB ALA 51 -0.571 1.456 0.636 405 HB3 ALA 51 2HB ALA 51 0.513 1.576 -0.749 406 H TYR 52 H TYR 52 0.466 3.975 2.800 407 HA TYR 52 HA TYR 52 3.314 3.249 2.825 408 HB2 TYR 52 1HB TYR 52 3.594 4.973 4.605 409 HB3 TYR 52 2HB TYR 52 3.141 5.624 3.038 410 HD1 TYR 52 HD1 TYR 52 0.717 6.324 2.687 411 HD2 TYR 52 HD2 TYR 52 2.330 5.423 6.521 412 HE1 TYR 52 HE1 TYR 52 -1.116 7.577 3.748 413 HE2 TYR 52 HE2 TYR 52 0.500 6.666 7.590 414 HH TYR 52 HH TYR 52 -1.058 8.576 6.915 415 H VAL 53 H VAL 53 4.195 2.347 4.689 416 HA VAL 53 HA VAL 53 2.215 1.141 6.499 417 HB VAL 53 HB VAL 53 3.880 -0.672 6.891 418 HG11 VAL 53 1HG1 VAL 53 3.475 -1.840 4.774 419 HG12 VAL 53 2HG1 VAL 53 2.982 -0.316 4.034 420 HG13 VAL 53 3HG1 VAL 53 2.031 -1.007 5.349 421 HG21 VAL 53 3HG2 VAL 53 5.327 0.595 4.565 422 HG22 VAL 53 1HG2 VAL 53 5.711 -0.968 5.286 423 HG23 VAL 53 2HG2 VAL 53 5.904 0.510 6.229 424 H ASP 54 H ASP 54 2.565 1.131 8.652 425 HA ASP 54 HA ASP 54 4.648 2.925 9.671 426 HB2 ASP 54 1HB ASP 54 2.550 3.569 10.527 427 HB3 ASP 54 2HB ASP 54 2.044 1.904 10.792 428 H LEU 55 H LEU 55 6.488 1.911 10.121 429 HA LEU 55 HA LEU 55 6.351 -0.777 11.285 430 HB2 LEU 55 1HB LEU 55 8.733 0.684 10.138 431 HB3 LEU 55 2HB LEU 55 8.745 -0.955 10.761 432 HG LEU 55 HG LEU 55 7.336 0.043 8.288 433 HD11 LEU 55 1HD1 LEU 55 9.546 -1.964 8.699 434 HD12 LEU 55 2HD1 LEU 55 9.721 -0.343 8.025 435 HD13 LEU 55 3HD1 LEU 55 8.790 -1.563 7.157 436 HD21 LEU 55 3HD2 LEU 55 5.904 -1.559 9.439 437 HD22 LEU 55 1HD2 LEU 55 7.245 -2.701 9.533 438 HD23 LEU 55 2HD2 LEU 55 6.575 -2.255 7.963 439 H SER 56 H SER 56 5.541 0.438 13.207 440 HA SER 56 HA SER 56 7.506 1.891 14.734 441 HB2 SER 56 1HB SER 56 5.598 1.736 16.493 442 HB3 SER 56 2HB SER 56 5.337 2.711 15.046 443 HG SER 56 HG SER 56 3.847 1.362 14.383 444 H GLY 57 H GLY 57 7.063 -1.288 14.097 445 HA2 GLY 57 1HA GLY 57 8.004 -2.177 16.737 446 HA3 GLY 57 2HA GLY 57 7.365 -3.222 15.474 447 H SER 58 H SER 58 10.134 -2.167 16.967 448 HA SER 58 HA SER 58 11.877 -2.260 14.665 449 HB2 SER 58 1HB SER 58 13.661 -1.986 16.473 450 HB3 SER 58 2HB SER 58 12.491 -0.676 16.314 451 HG SER 58 HG SER 58 11.474 -1.335 18.139 452 H GLU 59 H GLU 59 10.312 -4.665 15.804 453 HA GLU 59 HA GLU 59 12.447 -6.498 16.480 454 HB2 GLU 59 1HB GLU 59 9.484 -6.940 16.103 455 HB3 GLU 59 2HB GLU 59 10.623 -8.179 16.615 456 HG2 GLU 59 1HG GLU 59 11.184 -6.758 18.575 457 HG3 GLU 59 2HG GLU 59 9.888 -5.666 18.090 458 HA PRO 60 HA PRO 60 13.058 -7.459 12.156 459 HB2 PRO 60 1HB PRO 60 14.973 -9.433 13.147 460 HB3 PRO 60 2HB PRO 60 15.261 -7.993 12.167 461 HG2 PRO 60 1HG PRO 60 16.063 -8.175 14.739 462 HG3 PRO 60 2HG PRO 60 15.558 -6.641 14.004 463 HD2 PRO 60 1HD PRO 60 14.020 -8.478 15.804 464 HD3 PRO 60 2HD PRO 60 14.115 -6.702 15.816 465 H GLY 61 H GLY 61 13.548 -9.759 11.059 466 HA2 GLY 61 1HA GLY 61 12.947 -12.054 10.941 467 HA3 GLY 61 2HA GLY 61 11.811 -11.797 12.258 468 H GLU 62 H GLU 62 9.915 -12.411 11.398 469 HA GLU 62 HA GLU 62 9.071 -11.073 8.914 470 HB2 GLU 62 1HB GLU 62 9.631 -13.474 8.584 471 HB3 GLU 62 2HB GLU 62 8.414 -13.896 9.777 472 HG2 GLU 62 1HG GLU 62 6.665 -13.070 8.372 473 HG3 GLU 62 2HG GLU 62 7.837 -12.435 7.215 474 H HIS 63 H HIS 63 7.463 -9.716 9.345 475 HA HIS 63 HA HIS 63 5.481 -10.455 11.398 476 HB2 HIS 63 1HB HIS 63 7.027 -7.889 11.148 477 HB3 HIS 63 2HB HIS 63 5.429 -7.896 11.879 478 HD1 HIS 63 HD1 HIS 63 5.456 -8.127 14.318 479 HD2 HIS 63 HD2 HIS 63 8.789 -9.908 12.573 480 HE1 HIS 63 HE1 HIS 63 6.852 -8.981 16.229 481 HE2 HIS 63 HE2 HIS 63 8.750 -10.230 15.143 482 H ASP 64 H ASP 64 3.400 -9.460 11.144 483 HA ASP 64 HA ASP 64 2.830 -8.789 8.342 484 HB2 ASP 64 1HB ASP 64 1.048 -9.739 10.589 485 HB3 ASP 64 2HB ASP 64 0.420 -9.167 9.048 486 H TYR 65 H TYR 65 2.202 -6.813 7.752 487 HA TYR 65 HA TYR 65 1.354 -4.938 9.858 488 HB2 TYR 65 1HB TYR 65 3.327 -4.433 7.629 489 HB3 TYR 65 2HB TYR 65 2.554 -3.138 8.539 490 HD1 TYR 65 HD2 TYR 65 2.985 -2.937 10.989 491 HD2 TYR 65 HD1 TYR 65 5.171 -5.636 8.531 492 HE1 TYR 65 HE2 TYR 65 4.720 -3.101 12.723 493 HE2 TYR 65 HE1 TYR 65 6.911 -5.808 10.260 494 HH TYR 65 HH TYR 65 7.761 -4.462 12.162 495 H GLU 66 H GLU 66 0.086 -3.122 9.075 496 HA GLU 66 HA GLU 66 -1.818 -4.031 7.085 497 HB2 GLU 66 1HB GLU 66 -1.869 -1.520 8.767 498 HB3 GLU 66 2HB GLU 66 -3.211 -2.201 7.860 499 HG2 GLU 66 1HG GLU 66 -3.217 -4.152 9.312 500 HG3 GLU 66 2HG GLU 66 -1.852 -3.493 10.213 501 H VAL 67 H VAL 67 -2.221 -3.084 5.147 502 HA VAL 67 HA VAL 67 -0.310 -1.142 4.140 503 HB VAL 67 HB VAL 67 -2.684 -2.413 2.754 504 HG11 VAL 67 1HG1 VAL 67 -0.349 -0.875 1.622 505 HG12 VAL 67 2HG1 VAL 67 -2.018 -0.311 1.718 506 HG13 VAL 67 3HG1 VAL 67 -1.607 -1.677 0.682 507 HG21 VAL 67 3HG2 VAL 67 -1.036 -3.863 1.669 508 HG22 VAL 67 1HG2 VAL 67 -1.045 -4.082 3.419 509 HG23 VAL 67 2HG2 VAL 67 0.239 -3.144 2.654 510 H LYS 68 H LYS 68 -0.665 0.925 4.724 511 HA LYS 68 HA LYS 68 -3.434 1.842 4.972 512 HB2 LYS 68 1HB LYS 68 -1.760 2.195 6.841 513 HB3 LYS 68 2HB LYS 68 -0.936 3.330 5.780 514 HG2 LYS 68 1HG LYS 68 -2.973 4.688 5.667 515 HG3 LYS 68 2HG LYS 68 -3.773 3.559 6.762 516 HD2 LYS 68 1HD LYS 68 -1.960 4.032 8.426 517 HD3 LYS 68 2HD LYS 68 -1.387 5.305 7.345 518 HE2 LYS 68 1HE LYS 68 -4.121 5.140 8.612 519 HE3 LYS 68 2HE LYS 68 -2.816 6.217 9.102 520 HZ1 LYS 68 3HZ LYS 68 -4.414 7.371 7.730 521 HZ2 LYS 68 1HZ LYS 68 -4.212 6.247 6.475 522 HZ3 LYS 68 2HZ LYS 68 -2.928 7.266 6.915 523 H VAL 69 H VAL 69 -4.168 2.431 3.037 524 HA VAL 69 HA VAL 69 -2.477 3.850 1.151 525 HB VAL 69 HB VAL 69 -5.406 3.108 0.942 526 HG11 VAL 69 1HG1 VAL 69 -4.798 4.944 -0.534 527 HG12 VAL 69 2HG1 VAL 69 -5.115 3.476 -1.460 528 HG13 VAL 69 3HG1 VAL 69 -3.455 3.999 -1.177 529 HG21 VAL 69 3HG2 VAL 69 -2.975 1.694 -0.152 530 HG22 VAL 69 1HG2 VAL 69 -4.653 1.260 -0.484 531 HG23 VAL 69 2HG2 VAL 69 -4.013 1.123 1.155 532 H GLU 70 H GLU 70 -2.471 6.019 0.892 533 HA GLU 70 HA GLU 70 -3.878 7.662 2.732 534 HB2 GLU 70 1HB GLU 70 -1.667 8.266 1.787 535 HB3 GLU 70 2HB GLU 70 -2.416 8.474 0.209 536 HG2 GLU 70 1HG GLU 70 -3.600 10.367 0.892 537 HG3 GLU 70 2HG GLU 70 -3.344 10.021 2.600 538 HA PRO 71 HA PRO 71 -7.827 7.709 0.840 539 HB2 PRO 71 1HB PRO 71 -8.612 10.200 1.794 540 HB3 PRO 71 2HB PRO 71 -8.766 8.672 2.664 541 HG2 PRO 71 1HG PRO 71 -6.664 10.780 2.889 542 HG3 PRO 71 2HG PRO 71 -7.415 9.800 4.162 543 HD2 PRO 71 1HD PRO 71 -4.960 9.249 3.258 544 HD3 PRO 71 2HD PRO 71 -6.093 7.950 3.690 545 H ILE 72 H ILE 72 -8.458 8.192 -1.128 546 HA ILE 72 HA ILE 72 -7.161 10.270 -2.648 547 HB ILE 72 HB ILE 72 -9.460 8.483 -3.499 548 HG12 ILE 72 1HG1 ILE 72 -7.490 7.324 -4.780 549 HG13 ILE 72 2HG1 ILE 72 -6.488 8.042 -3.524 550 HG21 ILE 72 1HG2 ILE 72 -8.709 9.004 -5.774 551 HG22 ILE 72 2HG2 ILE 72 -7.481 10.084 -5.113 552 HG23 ILE 72 3HG2 ILE 72 -9.191 10.454 -4.891 553 HD11 ILE 72 3HD1 ILE 72 -8.778 6.140 -3.088 554 HD12 ILE 72 1HD1 ILE 72 -7.779 6.859 -1.824 555 HD13 ILE 72 2HD1 ILE 72 -7.060 5.749 -2.991 556 HA PRO 73 HA PRO 73 -9.850 13.521 -1.348 557 HB2 PRO 73 1HB PRO 73 -9.356 14.496 -4.124 558 HB3 PRO 73 2HB PRO 73 -9.204 15.351 -2.585 559 HG2 PRO 73 1HG PRO 73 -7.043 14.486 -3.872 560 HG3 PRO 73 2HG PRO 73 -7.148 14.391 -2.104 561 HD2 PRO 73 1HD PRO 73 -7.403 12.229 -4.137 562 HD3 PRO 73 2HD PRO 73 -6.727 12.165 -2.498 563 H ASN 74 H ASN 74 -11.909 12.841 -1.181 564 HA ASN 74 HA ASN 74 -14.130 12.916 -1.627 565 HB2 ASN 74 1HB ASN 74 -13.598 14.974 -2.917 566 HB3 ASN 74 2HB ASN 74 -13.377 13.988 -4.356 567 HD21 ASN 74 2HD2 ASN 74 -15.126 13.402 -5.527 568 HD22 ASN 74 1HD2 ASN 74 -16.751 13.817 -5.118 569 H ILE 75 H ILE 75 -12.021 10.863 -2.944 570 HA ILE 75 HA ILE 75 -14.021 9.440 -4.551 571 HB ILE 75 HB ILE 75 -11.039 8.986 -4.356 572 HG12 ILE 75 1HG1 ILE 75 -11.568 11.033 -5.554 573 HG13 ILE 75 2HG1 ILE 75 -11.033 9.807 -6.699 574 HG21 ILE 75 1HG2 ILE 75 -11.339 7.426 -6.222 575 HG22 ILE 75 2HG2 ILE 75 -13.085 7.647 -6.119 576 HG23 ILE 75 3HG2 ILE 75 -12.211 6.899 -4.783 577 HD11 ILE 75 3HD1 ILE 75 -13.887 10.603 -6.168 578 HD12 ILE 75 1HD1 ILE 75 -13.355 9.374 -7.315 579 HD13 ILE 75 2HD1 ILE 75 -12.917 11.064 -7.568 580 H LYS 76 H LYS 76 -14.810 7.512 -3.957 581 HA LYS 76 HA LYS 76 -14.319 6.666 -1.219 582 HB2 LYS 76 1HB LYS 76 -16.211 5.414 -3.201 583 HB3 LYS 76 2HB LYS 76 -16.289 5.356 -1.447 584 HG2 LYS 76 1HG LYS 76 -16.968 7.622 -1.313 585 HG3 LYS 76 2HG LYS 76 -16.608 7.897 -3.020 586 HD2 LYS 76 1HD LYS 76 -18.343 6.193 -3.576 587 HD3 LYS 76 2HD LYS 76 -18.772 6.151 -1.867 588 HE2 LYS 76 1HE LYS 76 -19.393 8.484 -1.926 589 HE3 LYS 76 2HE LYS 76 -18.841 8.619 -3.597 590 HZ1 LYS 76 3HZ LYS 76 -20.544 7.059 -4.267 591 HZ2 LYS 76 1HZ LYS 76 -21.250 8.374 -3.461 592 HZ3 LYS 76 2HZ LYS 76 -21.068 6.888 -2.663 593 H ILE 77 H ILE 77 -13.641 4.543 -0.666 594 HA ILE 77 HA ILE 77 -12.257 3.181 -2.872 595 HB ILE 77 HB ILE 77 -10.753 4.079 -1.129 596 HG12 ILE 77 1HG1 ILE 77 -10.766 1.061 -1.068 597 HG13 ILE 77 2HG1 ILE 77 -10.259 1.992 -2.475 598 HG21 ILE 77 1HG2 ILE 77 -12.201 3.889 0.807 599 HG22 ILE 77 2HG2 ILE 77 -10.681 3.038 1.088 600 HG23 ILE 77 3HG2 ILE 77 -12.141 2.128 0.700 601 HD11 ILE 77 3HD1 ILE 77 -8.352 1.270 -1.162 602 HD12 ILE 77 1HD1 ILE 77 -9.001 2.092 0.257 603 HD13 ILE 77 2HD1 ILE 77 -8.493 3.028 -1.147 604 H VAL 78 H VAL 78 -12.810 1.168 -3.376 605 HA VAL 78 HA VAL 78 -15.052 0.006 -1.903 606 HB VAL 78 HB VAL 78 -13.925 -0.789 -4.592 607 HG11 VAL 78 1HG1 VAL 78 -15.177 -2.574 -3.556 608 HG12 VAL 78 2HG1 VAL 78 -16.091 -1.898 -4.905 609 HG13 VAL 78 3HG1 VAL 78 -16.528 -1.482 -3.249 610 HG21 VAL 78 3HG2 VAL 78 -14.730 1.489 -4.683 611 HG22 VAL 78 1HG2 VAL 78 -16.256 1.006 -3.942 612 HG23 VAL 78 2HG2 VAL 78 -15.833 0.422 -5.551 613 H GLU 79 H GLU 79 -12.153 -1.230 -3.561 614 HA GLU 79 HA GLU 79 -11.989 -3.337 -1.511 615 HB2 GLU 79 1HB GLU 79 -11.478 -3.587 -4.480 616 HB3 GLU 79 2HB GLU 79 -11.162 -4.850 -3.298 617 HG2 GLU 79 1HG GLU 79 -13.503 -5.027 -2.790 618 HG3 GLU 79 2HG GLU 79 -13.870 -3.654 -3.834 619 H ILE 80 H ILE 80 -10.116 -3.387 -0.466 620 HA ILE 80 HA ILE 80 -7.760 -2.153 -1.729 621 HB ILE 80 HB ILE 80 -8.030 -2.955 1.170 622 HG12 ILE 80 1HG1 ILE 80 -8.495 -0.229 -0.061 623 HG13 ILE 80 2HG1 ILE 80 -9.750 -1.274 0.594 624 HG21 ILE 80 1HG2 ILE 80 -6.153 -1.405 1.483 625 HG22 ILE 80 2HG2 ILE 80 -6.125 -1.097 -0.253 626 HG23 ILE 80 3HG2 ILE 80 -5.748 -2.706 0.364 627 HD11 ILE 80 3HD1 ILE 80 -8.745 -1.095 2.808 628 HD12 ILE 80 1HD1 ILE 80 -9.162 0.489 2.153 629 HD13 ILE 80 2HD1 ILE 80 -7.483 -0.053 2.150 630 H SER 81 H SER 81 -6.130 -3.449 -2.403 631 HA SER 81 HA SER 81 -5.759 -6.065 -1.198 632 HB2 SER 81 1HB SER 81 -6.244 -5.798 -4.174 633 HB3 SER 81 2HB SER 81 -5.949 -7.290 -3.278 634 HG SER 81 HG SER 81 -7.975 -6.136 -2.082 635 HA PRO 82 HA PRO 82 -4.452 -7.010 -0.432 636 HB2 PRO 82 1HB PRO 82 -2.215 -7.251 1.003 637 HB3 PRO 82 2HB PRO 82 -2.405 -8.088 -0.542 638 HG2 PRO 82 1HG PRO 82 -0.871 -5.609 0.093 639 HG3 PRO 82 2HG PRO 82 -0.456 -6.933 -1.008 640 HD2 PRO 82 1HD PRO 82 -1.561 -4.487 -1.758 641 HD3 PRO 82 2HD PRO 82 -1.554 -5.961 -2.744 642 H ARG 83 H ARG 83 -4.295 -6.848 2.054 643 HA ARG 83 HA ARG 83 -4.355 -4.008 2.849 644 HB2 ARG 83 1HB ARG 83 -6.144 -6.265 3.761 645 HB3 ARG 83 2HB ARG 83 -6.104 -4.676 4.514 646 HG2 ARG 83 1HG ARG 83 -6.756 -3.670 2.364 647 HG3 ARG 83 2HG ARG 83 -6.868 -5.287 1.668 648 HD2 ARG 83 1HD ARG 83 -8.463 -4.319 4.034 649 HD3 ARG 83 2HD ARG 83 -9.052 -4.349 2.373 650 HE ARG 83 HE ARG 83 -8.279 -6.903 2.787 651 HH11 ARG 83 1HH1 ARG 83 -10.307 -4.715 4.607 652 HH12 ARG 83 2HH1 ARG 83 -11.358 -5.971 5.197 653 HH21 ARG 83 1HH2 ARG 83 -9.624 -8.559 3.569 654 HH22 ARG 83 2HH2 ARG 83 -10.945 -8.173 4.636 655 H VAL 84 H VAL 84 -3.433 -7.268 3.661 656 HA VAL 84 HA VAL 84 -1.781 -6.171 5.846 657 HB VAL 84 HB VAL 84 -3.022 -8.935 5.761 658 HG11 VAL 84 1HG1 VAL 84 -0.834 -8.927 6.828 659 HG12 VAL 84 2HG1 VAL 84 -2.109 -9.185 8.019 660 HG13 VAL 84 3HG1 VAL 84 -1.337 -7.605 7.881 661 HG21 VAL 84 3HG2 VAL 84 -4.342 -8.200 7.691 662 HG22 VAL 84 1HG2 VAL 84 -4.691 -7.230 6.259 663 HG23 VAL 84 2HG2 VAL 84 -3.662 -6.579 7.535 664 H VAL 85 H VAL 85 0.301 -6.288 5.325 665 HA VAL 85 HA VAL 85 1.125 -8.352 3.397 666 HB VAL 85 HB VAL 85 3.094 -6.847 2.924 667 HG11 VAL 85 1HG1 VAL 85 1.226 -7.036 1.387 668 HG12 VAL 85 2HG1 VAL 85 1.823 -5.377 1.427 669 HG13 VAL 85 3HG1 VAL 85 0.340 -5.802 2.283 670 HG21 VAL 85 3HG2 VAL 85 1.411 -4.829 4.409 671 HG22 VAL 85 1HG2 VAL 85 2.848 -4.464 3.455 672 HG23 VAL 85 2HG2 VAL 85 2.983 -5.447 4.914 673 H THR 86 H THR 86 2.693 -9.718 3.879 674 HA THR 86 HA THR 86 3.779 -9.683 6.577 675 HB THR 86 HB THR 86 4.275 -11.734 4.411 676 HG1 THR 86 HG1 THR 86 2.157 -11.539 6.330 677 HG21 THR 86 3HG2 THR 86 4.684 -13.228 6.310 678 HG22 THR 86 1HG2 THR 86 4.382 -11.896 7.425 679 HG23 THR 86 2HG2 THR 86 5.775 -11.843 6.344 680 H LEU 87 H LEU 87 5.592 -8.585 6.946 681 HA LEU 87 HA LEU 87 7.474 -8.197 4.712 682 HB2 LEU 87 1HB LEU 87 6.986 -6.437 7.117 683 HB3 LEU 87 2HB LEU 87 8.160 -6.126 5.854 684 HG LEU 87 HG LEU 87 5.163 -6.193 5.484 685 HD11 LEU 87 1HD1 LEU 87 5.906 -4.242 6.736 686 HD12 LEU 87 2HD1 LEU 87 5.386 -3.787 5.113 687 HD13 LEU 87 3HD1 LEU 87 7.105 -3.887 5.493 688 HD21 LEU 87 3HD2 LEU 87 7.366 -5.515 3.537 689 HD22 LEU 87 1HD2 LEU 87 5.635 -5.361 3.234 690 HD23 LEU 87 2HD2 LEU 87 6.348 -6.954 3.492 691 H GLN 88 H GLN 88 9.658 -8.414 5.060 692 HA GLN 88 HA GLN 88 10.408 -9.742 7.583 693 HB2 GLN 88 1HB GLN 88 11.666 -10.029 4.848 694 HB3 GLN 88 2HB GLN 88 12.187 -10.860 6.306 695 HG2 GLN 88 1HG GLN 88 10.087 -12.051 6.419 696 HG3 GLN 88 2HG GLN 88 9.485 -11.164 5.020 697 HE21 GLN 88 2HE2 GLN 88 9.764 -14.016 5.364 698 HE22 GLN 88 1HE2 GLN 88 10.840 -14.561 4.108 699 H LEU 89 H LEU 89 11.962 -8.841 8.796 700 HA LEU 89 HA LEU 89 13.298 -6.458 7.684 701 HB2 LEU 89 1HB LEU 89 12.440 -7.038 10.514 702 HB3 LEU 89 2HB LEU 89 13.421 -5.664 10.049 703 HG LEU 89 HG LEU 89 10.586 -6.198 9.170 704 HD11 LEU 89 1HD1 LEU 89 10.770 -5.503 11.501 705 HD12 LEU 89 2HD1 LEU 89 10.062 -4.225 10.513 706 HD13 LEU 89 3HD1 LEU 89 11.749 -4.118 11.017 707 HD21 LEU 89 3HD2 LEU 89 10.699 -3.986 8.137 708 HD22 LEU 89 1HD2 LEU 89 11.871 -5.091 7.417 709 HD23 LEU 89 2HD2 LEU 89 12.404 -3.868 8.570 710 H GLU 90 H GLU 90 15.420 -6.259 7.817 711 HA GLU 90 HA GLU 90 16.944 -8.277 9.334 712 HB2 GLU 90 1HB GLU 90 17.136 -8.516 6.857 713 HB3 GLU 90 2HB GLU 90 17.766 -6.877 6.776 714 HG2 GLU 90 1HG GLU 90 19.707 -7.525 8.066 715 HG3 GLU 90 2HG GLU 90 19.063 -9.154 8.258 716 H HIS 91 H HIS 91 19.141 -7.446 9.996 717 HA HIS 91 HA HIS 91 18.751 -4.914 11.312 718 HB2 HIS 91 1HB HIS 91 20.849 -7.046 11.451 719 HB3 HIS 91 2HB HIS 91 21.149 -5.462 12.159 720 HD1 HIS 91 HD1 HIS 91 19.414 -4.716 14.061 721 HD2 HIS 91 HD2 HIS 91 19.384 -8.741 13.008 722 HE1 HIS 91 HE1 HIS 91 18.243 -5.904 15.947 723 HE2 HIS 91 HE2 HIS 91 18.305 -8.348 15.327 724 H HIS 92 H HIS 92 20.019 -3.118 11.184 725 HA HIS 92 HA HIS 92 22.191 -3.024 9.245 726 HB2 HIS 92 1HB HIS 92 20.280 -2.152 7.984 727 HB3 HIS 92 2HB HIS 92 19.894 -1.040 9.292 728 HD1 HIS 92 HD1 HIS 92 22.084 -1.447 6.314 729 HD2 HIS 92 HD2 HIS 92 21.656 1.190 9.509 730 HE1 HIS 92 HE1 HIS 92 23.452 0.577 5.718 731 HE2 HIS 92 HE2 HIS 92 23.113 2.195 7.623 732 H HIS 93 H HIS 93 23.681 -2.869 10.872 733 HA HIS 93 HA HIS 93 23.296 -1.065 13.090 734 HB2 HIS 93 1HB HIS 93 24.549 -3.186 13.329 735 HB3 HIS 93 2HB HIS 93 25.769 -2.581 12.217 736 HD1 HIS 93 HD1 HIS 93 24.489 -2.136 15.726 737 HD2 HIS 93 HD2 HIS 93 27.649 -0.876 13.331 738 HE1 HIS 93 HE1 HIS 93 26.136 -1.047 17.285 739 HE2 HIS 93 HE2 HIS 93 28.139 -0.529 15.847 740 H HIS 94 H HIS 94 25.626 -1.222 10.405 741 HA HIS 94 HA HIS 94 25.391 1.556 9.847 742 HB2 HIS 94 1HB HIS 94 26.888 1.453 11.950 743 HB3 HIS 94 2HB HIS 94 28.111 0.765 10.886 744 HD1 HIS 94 HD1 HIS 94 29.486 2.978 11.553 745 HD2 HIS 94 HD2 HIS 94 26.095 3.564 9.215 746 HE1 HIS 94 HE1 HIS 94 29.718 5.287 10.587 747 HE2 HIS 94 HE2 HIS 94 27.753 5.539 9.028 748 H HIS 95 H HIS 95 28.060 -0.808 9.701 749 HA HIS 95 HA HIS 95 28.092 -0.647 6.788 750 HB2 HIS 95 1HB HIS 95 29.711 -2.291 8.753 751 HB3 HIS 95 2HB HIS 95 29.883 -2.426 7.010 752 HD1 HIS 95 HD1 HIS 95 31.387 -0.777 5.871 753 HD2 HIS 95 HD2 HIS 95 30.575 0.239 9.821 754 HE1 HIS 95 HE1 HIS 95 32.953 1.116 6.423 755 HE2 HIS 95 HE2 HIS 95 32.591 1.558 8.878 756 H HIS 96 H HIS 96 27.764 -3.157 9.246 757 HA HIS 96 HA HIS 96 25.451 -4.254 7.869 758 HB2 HIS 96 1HB HIS 96 27.977 -5.797 8.451 759 HB3 HIS 96 2HB HIS 96 26.415 -6.605 8.372 760 HD1 HIS 96 HD1 HIS 96 29.202 -6.060 6.327 761 HD2 HIS 96 HD2 HIS 96 25.103 -5.723 5.725 762 HE1 HIS 96 HE1 HIS 96 28.871 -6.178 3.839 763 HE2 HIS 96 HE2 HIS 96 26.369 -6.224 3.528 Start of MODEL 12 1 H1 SER 1 1H SER 1 -19.027 -2.892 -26.070 2 H2 SER 1 2H SER 1 -20.245 -3.759 -26.870 3 H3 SER 1 3H SER 1 -19.632 -2.337 -27.555 4 HA SER 1 HA SER 1 -18.128 -4.847 -27.124 5 HB2 SER 1 1HB SER 1 -18.972 -3.570 -29.733 6 HB3 SER 1 2HB SER 1 -18.237 -5.157 -29.503 7 HG SER 1 HG SER 1 -20.820 -4.508 -29.494 8 H SER 2 H SER 2 -18.025 -1.891 -29.144 9 HA SER 2 HA SER 2 -15.245 -1.515 -28.243 10 HB2 SER 2 1HB SER 2 -16.462 -0.816 -30.928 11 HB3 SER 2 2HB SER 2 -14.811 -0.435 -30.432 12 HG SER 2 HG SER 2 -14.480 -2.711 -30.165 13 H GLN 3 H GLN 3 -14.553 0.861 -28.548 14 HA GLN 3 HA GLN 3 -14.720 2.983 -27.752 15 HB2 GLN 3 1HB GLN 3 -16.387 3.036 -29.706 16 HB3 GLN 3 2HB GLN 3 -17.646 2.906 -28.489 17 HG2 GLN 3 1HG GLN 3 -17.299 5.212 -29.179 18 HG3 GLN 3 2HG GLN 3 -16.914 4.984 -27.472 19 HE21 GLN 3 2HE2 GLN 3 -14.788 5.185 -26.784 20 HE22 GLN 3 1HE2 GLN 3 -13.539 5.835 -27.796 21 H THR 4 H THR 4 -15.123 0.773 -26.014 22 HA THR 4 HA THR 4 -17.352 1.025 -24.323 23 HB THR 4 HB THR 4 -14.667 -0.078 -23.499 24 HG1 THR 4 HG1 THR 4 -14.902 -1.390 -25.146 25 HG21 THR 4 3HG2 THR 4 -17.501 -0.846 -22.784 26 HG22 THR 4 1HG2 THR 4 -16.376 0.035 -21.751 27 HG23 THR 4 2HG2 THR 4 -16.041 -1.638 -22.194 28 H LEU 5 H LEU 5 -17.784 2.357 -22.682 29 HA LEU 5 HA LEU 5 -15.804 4.290 -21.809 30 HB2 LEU 5 1HB LEU 5 -18.144 4.980 -22.182 31 HB3 LEU 5 2HB LEU 5 -18.669 3.856 -20.944 32 HG LEU 5 HG LEU 5 -17.357 5.153 -19.273 33 HD11 LEU 5 1HD1 LEU 5 -16.605 7.401 -19.865 34 HD12 LEU 5 2HD1 LEU 5 -17.017 7.095 -21.553 35 HD13 LEU 5 3HD1 LEU 5 -15.736 6.165 -20.775 36 HD21 LEU 5 3HD2 LEU 5 -18.930 7.029 -19.162 37 HD22 LEU 5 1HD2 LEU 5 -19.744 5.508 -19.529 38 HD23 LEU 5 2HD2 LEU 5 -19.450 6.682 -20.812 39 H ASP 6 H ASP 6 -14.737 4.201 -19.871 40 HA ASP 6 HA ASP 6 -14.962 1.657 -18.470 41 HB2 ASP 6 1HB ASP 6 -12.822 3.766 -18.555 42 HB3 ASP 6 2HB ASP 6 -12.816 2.498 -17.333 43 H ARG 7 H ARG 7 -15.632 1.409 -16.478 44 HA ARG 7 HA ARG 7 -15.903 3.765 -14.730 45 HB2 ARG 7 1HB ARG 7 -17.788 1.407 -14.983 46 HB3 ARG 7 2HB ARG 7 -17.859 2.587 -13.685 47 HG2 ARG 7 1HG ARG 7 -18.393 4.341 -15.254 48 HG3 ARG 7 2HG ARG 7 -18.213 3.220 -16.607 49 HD2 ARG 7 1HD ARG 7 -20.069 1.904 -15.824 50 HD3 ARG 7 2HD ARG 7 -20.194 2.879 -14.362 51 HE ARG 7 HE ARG 7 -20.599 4.743 -16.204 52 HH11 ARG 7 1HH1 ARG 7 -21.825 1.462 -16.103 53 HH12 ARG 7 2HH1 ARG 7 -23.354 1.874 -16.807 54 HH21 ARG 7 1HH2 ARG 7 -22.635 5.288 -17.144 55 HH22 ARG 7 2HH2 ARG 7 -23.812 4.026 -17.394 56 H ASP 8 H ASP 8 -16.255 2.798 -12.362 57 HA ASP 8 HA ASP 8 -15.266 1.781 -10.580 58 HB2 ASP 8 1HB ASP 8 -15.144 -0.599 -12.448 59 HB3 ASP 8 2HB ASP 8 -15.010 -0.655 -10.695 60 HA PRO 9 HA PRO 9 -11.021 2.325 -12.393 61 HB2 PRO 9 1HB PRO 9 -10.235 4.327 -10.745 62 HB3 PRO 9 2HB PRO 9 -11.124 4.612 -12.245 63 HG2 PRO 9 1HG PRO 9 -12.128 4.546 -9.429 64 HG3 PRO 9 2HG PRO 9 -12.556 5.653 -10.747 65 HD2 PRO 9 1HD PRO 9 -14.108 3.545 -10.000 66 HD3 PRO 9 2HD PRO 9 -14.066 4.183 -11.655 67 H THR 10 H THR 10 -9.643 0.830 -11.718 68 HA THR 10 HA THR 10 -9.284 0.393 -8.839 69 HB THR 10 HB THR 10 -8.184 -1.263 -11.124 70 HG1 THR 10 HG1 THR 10 -10.229 -1.846 -11.270 71 HG21 THR 10 3HG2 THR 10 -8.456 -1.856 -8.170 72 HG22 THR 10 1HG2 THR 10 -6.950 -1.490 -9.011 73 HG23 THR 10 2HG2 THR 10 -7.838 -2.965 -9.395 74 H LEU 11 H LEU 11 -7.835 1.779 -8.036 75 HA LEU 11 HA LEU 11 -5.789 2.891 -9.754 76 HB2 LEU 11 1HB LEU 11 -6.505 3.434 -6.875 77 HB3 LEU 11 2HB LEU 11 -5.244 4.280 -7.754 78 HG LEU 11 HG LEU 11 -8.169 4.290 -8.486 79 HD11 LEU 11 1HD1 LEU 11 -6.464 6.427 -7.211 80 HD12 LEU 11 2HD1 LEU 11 -7.741 5.508 -6.414 81 HD13 LEU 11 3HD1 LEU 11 -8.140 6.613 -7.729 82 HD21 LEU 11 3HD2 LEU 11 -6.709 4.531 -10.418 83 HD22 LEU 11 1HD2 LEU 11 -5.838 5.833 -9.609 84 HD23 LEU 11 2HD2 LEU 11 -7.530 6.049 -10.057 85 H THR 12 H THR 12 -3.850 2.151 -9.938 86 HA THR 12 HA THR 12 -2.854 0.191 -8.008 87 HB THR 12 HB THR 12 -1.722 0.873 -10.729 88 HG1 THR 12 HG1 THR 12 -4.022 -0.262 -10.228 89 HG21 THR 12 3HG2 THR 12 -0.152 -0.261 -9.236 90 HG22 THR 12 1HG2 THR 12 -0.661 -1.339 -10.536 91 HG23 THR 12 2HG2 THR 12 -1.345 -1.521 -8.920 92 H LEU 13 H LEU 13 -1.759 1.099 -6.414 93 HA LEU 13 HA LEU 13 -0.038 3.418 -6.991 94 HB2 LEU 13 1HB LEU 13 -1.151 2.503 -4.332 95 HB3 LEU 13 2HB LEU 13 -0.233 3.967 -4.625 96 HG LEU 13 HG LEU 13 -2.977 3.391 -5.748 97 HD11 LEU 13 1HD1 LEU 13 -2.114 5.208 -3.500 98 HD12 LEU 13 2HD1 LEU 13 -3.032 3.713 -3.331 99 HD13 LEU 13 3HD1 LEU 13 -3.742 5.093 -4.166 100 HD21 LEU 13 3HD2 LEU 13 -2.934 5.761 -6.384 101 HD22 LEU 13 1HD2 LEU 13 -1.668 4.838 -7.194 102 HD23 LEU 13 2HD2 LEU 13 -1.266 5.872 -5.823 103 H SER 14 H SER 14 1.695 3.408 -4.969 104 HA SER 14 HA SER 14 3.019 0.788 -5.168 105 HB2 SER 14 1HB SER 14 4.171 2.674 -6.342 106 HB3 SER 14 2HB SER 14 4.323 3.498 -4.793 107 HG SER 14 HG SER 14 5.531 1.088 -5.642 108 H LEU 15 H LEU 15 3.901 -0.104 -3.317 109 HA LEU 15 HA LEU 15 2.941 0.966 -0.792 110 HB2 LEU 15 1HB LEU 15 2.788 -1.462 -1.325 111 HB3 LEU 15 2HB LEU 15 4.536 -1.539 -1.369 112 HG LEU 15 HG LEU 15 4.607 -0.920 1.025 113 HD11 LEU 15 1HD1 LEU 15 2.508 0.319 1.142 114 HD12 LEU 15 2HD1 LEU 15 2.555 -0.972 2.342 115 HD13 LEU 15 3HD1 LEU 15 1.607 -1.172 0.869 116 HD21 LEU 15 3HD2 LEU 15 4.637 -3.270 0.339 117 HD22 LEU 15 1HD2 LEU 15 2.876 -3.311 0.412 118 HD23 LEU 15 2HD2 LEU 15 3.813 -3.056 1.884 119 H ILE 16 H ILE 16 4.198 2.044 0.644 120 HA ILE 16 HA ILE 16 7.081 2.186 0.062 121 HB ILE 16 HB ILE 16 7.029 4.586 0.707 122 HG12 ILE 16 1HG1 ILE 16 4.028 4.245 0.494 123 HG13 ILE 16 2HG1 ILE 16 4.922 4.563 1.977 124 HG21 ILE 16 1HG2 ILE 16 7.105 3.953 -1.631 125 HG22 ILE 16 2HG2 ILE 16 6.113 5.398 -1.424 126 HG23 ILE 16 3HG2 ILE 16 5.346 3.830 -1.677 127 HD11 ILE 16 3HD1 ILE 16 3.870 6.576 1.146 128 HD12 ILE 16 1HD1 ILE 16 4.712 6.401 -0.394 129 HD13 ILE 16 2HD1 ILE 16 5.625 6.722 1.080 130 H ALA 17 H ALA 17 8.461 2.328 1.757 131 HA ALA 17 HA ALA 17 7.460 1.706 4.401 132 HB1 ALA 17 3HB ALA 17 9.513 0.662 3.578 133 HB2 ALA 17 1HB ALA 17 9.831 1.628 5.020 134 HB3 ALA 17 2HB ALA 17 10.267 2.248 3.428 135 H LYS 18 H LYS 18 6.514 3.364 5.459 136 HA LYS 18 HA LYS 18 7.462 6.071 4.937 137 HB2 LYS 18 1HB LYS 18 5.064 5.674 4.755 138 HB3 LYS 18 2HB LYS 18 5.017 5.090 6.412 139 HG2 LYS 18 1HG LYS 18 5.589 7.281 7.244 140 HG3 LYS 18 2HG LYS 18 5.786 7.884 5.598 141 HD2 LYS 18 1HD LYS 18 3.450 7.572 5.143 142 HD3 LYS 18 2HD LYS 18 3.211 6.773 6.699 143 HE2 LYS 18 1HE LYS 18 4.157 9.615 6.393 144 HE3 LYS 18 2HE LYS 18 2.468 9.161 6.616 145 HZ1 LYS 18 3HZ LYS 18 4.591 8.358 8.523 146 HZ2 LYS 18 1HZ LYS 18 2.912 8.326 8.752 147 HZ3 LYS 18 2HZ LYS 18 3.733 9.810 8.681 148 H ASN 19 H ASN 19 6.270 4.512 7.884 149 HA ASN 19 HA ASN 19 8.225 6.057 9.397 150 HB2 ASN 19 1HB ASN 19 5.751 4.542 10.212 151 HB3 ASN 19 2HB ASN 19 6.924 5.110 11.397 152 HD21 ASN 19 2HD2 ASN 19 5.466 6.514 12.351 153 HD22 ASN 19 1HD2 ASN 19 4.939 7.974 11.575 154 H THR 20 H THR 20 9.780 4.612 8.280 155 HA THR 20 HA THR 20 10.154 2.077 9.707 156 HB THR 20 HB THR 20 11.431 3.089 7.155 157 HG1 THR 20 HG1 THR 20 9.531 1.000 7.517 158 HG21 THR 20 3HG2 THR 20 12.909 1.555 8.370 159 HG22 THR 20 1HG2 THR 20 12.281 0.804 6.902 160 HG23 THR 20 2HG2 THR 20 11.603 0.374 8.473 161 HA PRO 21 HA PRO 21 13.214 4.363 12.072 162 HB2 PRO 21 1HB PRO 21 13.771 1.740 13.275 163 HB3 PRO 21 2HB PRO 21 13.185 3.221 14.037 164 HG2 PRO 21 1HG PRO 21 11.598 1.082 13.703 165 HG3 PRO 21 2HG PRO 21 10.976 2.739 13.587 166 HD2 PRO 21 1HD PRO 21 11.687 0.824 11.393 167 HD3 PRO 21 2HD PRO 21 10.289 1.914 11.528 168 H ALA 22 H ALA 22 15.486 4.408 12.284 169 HA ALA 22 HA ALA 22 16.940 3.440 10.072 170 HB1 ALA 22 3HB ALA 22 18.903 4.350 11.183 171 HB2 ALA 22 1HB ALA 22 17.996 4.504 12.689 172 HB3 ALA 22 2HB ALA 22 17.549 5.477 11.286 173 H ASN 23 H ASN 23 18.585 1.936 9.941 174 HA ASN 23 HA ASN 23 19.833 0.103 10.362 175 HB2 ASN 23 1HB ASN 23 18.966 0.585 13.206 176 HB3 ASN 23 2HB ASN 23 19.988 -0.773 12.745 177 HD21 ASN 23 2HD2 ASN 23 19.820 2.633 13.268 178 HD22 ASN 23 1HD2 ASN 23 21.507 2.964 13.040 179 H SER 24 H SER 24 16.648 0.210 10.227 180 HA SER 24 HA SER 24 16.382 -2.696 10.516 181 HB2 SER 24 1HB SER 24 13.978 -2.393 10.332 182 HB3 SER 24 2HB SER 24 14.597 -1.308 11.573 183 HG SER 24 HG SER 24 14.436 0.398 10.125 184 H MET 25 H MET 25 15.997 -3.974 8.743 185 HA MET 25 HA MET 25 16.189 -2.615 6.139 186 HB2 MET 25 1HB MET 25 18.408 -3.448 6.883 187 HB3 MET 25 2HB MET 25 17.743 -5.073 6.963 188 HG2 MET 25 1HG MET 25 17.380 -5.105 4.596 189 HG3 MET 25 2HG MET 25 17.848 -3.410 4.461 190 HE1 MET 25 3HE MET 25 19.515 -6.175 6.706 191 HE2 MET 25 1HE MET 25 20.765 -6.791 5.624 192 HE3 MET 25 2HE MET 25 19.063 -7.055 5.246 193 H ILE 26 H ILE 26 14.574 -3.164 4.884 194 HA ILE 26 HA ILE 26 12.926 -5.456 5.550 195 HB ILE 26 HB ILE 26 12.533 -3.558 3.236 196 HG12 ILE 26 1HG1 ILE 26 11.507 -3.273 6.073 197 HG13 ILE 26 2HG1 ILE 26 12.763 -2.279 5.342 198 HG21 ILE 26 1HG2 ILE 26 10.620 -5.276 4.814 199 HG22 ILE 26 2HG2 ILE 26 11.194 -5.590 3.178 200 HG23 ILE 26 3HG2 ILE 26 10.176 -4.188 3.501 201 HD11 ILE 26 3HD1 ILE 26 10.626 -1.127 5.377 202 HD12 ILE 26 1HD1 ILE 26 9.894 -2.434 4.445 203 HD13 ILE 26 2HD1 ILE 26 11.152 -1.430 3.721 204 H MET 27 H MET 27 13.118 -7.384 4.647 205 HA MET 27 HA MET 27 14.894 -7.782 2.387 206 HB2 MET 27 1HB MET 27 13.258 -9.759 3.990 207 HB3 MET 27 2HB MET 27 14.452 -10.183 2.772 208 HG2 MET 27 1HG MET 27 16.216 -9.218 4.114 209 HG3 MET 27 2HG MET 27 15.040 -8.678 5.312 210 HE1 MET 27 3HE MET 27 15.070 -12.083 3.338 211 HE2 MET 27 1HE MET 27 15.967 -13.119 4.448 212 HE3 MET 27 2HE MET 27 16.780 -11.778 3.641 213 H THR 28 H THR 28 11.486 -7.803 3.089 214 HA THR 28 HA THR 28 10.676 -8.892 0.561 215 HB THR 28 HB THR 28 8.418 -7.813 1.405 216 HG1 THR 28 HG1 THR 28 9.209 -6.614 3.103 217 HG21 THR 28 3HG2 THR 28 7.986 -9.816 2.749 218 HG22 THR 28 1HG2 THR 28 9.714 -10.164 2.789 219 HG23 THR 28 2HG2 THR 28 8.838 -10.215 1.259 220 H LYS 29 H LYS 29 10.744 -7.787 -1.289 221 HA LYS 29 HA LYS 29 11.154 -4.973 -1.387 222 HB2 LYS 29 1HB LYS 29 10.335 -6.891 -3.577 223 HB3 LYS 29 2HB LYS 29 10.886 -5.241 -3.824 224 HG2 LYS 29 1HG LYS 29 13.067 -5.808 -2.918 225 HG3 LYS 29 2HG LYS 29 12.518 -7.456 -2.601 226 HD2 LYS 29 1HD LYS 29 12.143 -7.790 -4.992 227 HD3 LYS 29 2HD LYS 29 12.690 -6.142 -5.310 228 HE2 LYS 29 1HE LYS 29 14.888 -6.702 -4.386 229 HE3 LYS 29 2HE LYS 29 14.339 -8.350 -4.081 230 HZ1 LYS 29 3HZ LYS 29 15.629 -8.134 -6.142 231 HZ2 LYS 29 1HZ LYS 29 14.458 -7.078 -6.764 232 HZ3 LYS 29 2HZ LYS 29 14.054 -8.690 -6.430 233 H LEU 30 H LEU 30 9.737 -3.347 -1.874 234 HA LEU 30 HA LEU 30 7.020 -3.798 -1.110 235 HB2 LEU 30 1HB LEU 30 8.432 -1.329 -2.121 236 HB3 LEU 30 2HB LEU 30 6.764 -1.350 -1.589 237 HG LEU 30 HG LEU 30 7.991 -0.477 0.215 238 HD11 LEU 30 1HD1 LEU 30 6.351 -2.124 0.903 239 HD12 LEU 30 2HD1 LEU 30 7.739 -2.129 1.993 240 HD13 LEU 30 3HD1 LEU 30 7.561 -3.402 0.784 241 HD21 LEU 30 3HD2 LEU 30 9.968 -1.554 1.184 242 HD22 LEU 30 1HD2 LEU 30 10.228 -1.079 -0.496 243 HD23 LEU 30 2HD2 LEU 30 9.922 -2.769 -0.093 244 HA PRO 31 HA PRO 31 5.736 -4.409 -5.356 245 HB2 PRO 31 1HB PRO 31 3.443 -5.657 -4.820 246 HB3 PRO 31 2HB PRO 31 4.996 -6.444 -4.518 247 HG2 PRO 31 1HG PRO 31 3.101 -5.193 -2.592 248 HG3 PRO 31 2HG PRO 31 4.130 -6.620 -2.389 249 HD2 PRO 31 1HD PRO 31 4.687 -4.016 -1.480 250 HD3 PRO 31 2HD PRO 31 5.836 -5.365 -1.573 251 H SER 32 H SER 32 3.624 -3.986 -6.555 252 HA SER 32 HA SER 32 2.645 -1.356 -5.899 253 HB2 SER 32 1HB SER 32 1.839 -3.203 -8.162 254 HB3 SER 32 2HB SER 32 1.501 -1.475 -8.046 255 HG SER 32 HG SER 32 3.486 -1.024 -8.630 256 H VAL 33 H VAL 33 0.682 -0.853 -5.103 257 HA VAL 33 HA VAL 33 -1.016 -3.092 -4.222 258 HB VAL 33 HB VAL 33 -0.075 -1.539 -2.484 259 HG11 VAL 33 1HG1 VAL 33 -1.077 0.680 -2.234 260 HG12 VAL 33 2HG1 VAL 33 -1.909 0.467 -3.775 261 HG13 VAL 33 3HG1 VAL 33 -0.147 0.530 -3.724 262 HG21 VAL 33 3HG2 VAL 33 -2.055 -2.854 -2.002 263 HG22 VAL 33 1HG2 VAL 33 -3.081 -1.608 -2.713 264 HG23 VAL 33 2HG2 VAL 33 -2.173 -1.270 -1.239 265 H ARG 34 H ARG 34 -3.335 -2.883 -4.477 266 HA ARG 34 HA ARG 34 -4.127 -0.821 -6.416 267 HB2 ARG 34 1HB ARG 34 -4.928 -3.730 -6.469 268 HB3 ARG 34 2HB ARG 34 -5.650 -2.480 -7.471 269 HG2 ARG 34 1HG ARG 34 -3.433 -2.050 -8.466 270 HG3 ARG 34 2HG ARG 34 -2.786 -3.394 -7.523 271 HD2 ARG 34 1HD ARG 34 -4.990 -3.566 -9.573 272 HD3 ARG 34 2HD ARG 34 -3.321 -4.081 -9.806 273 HE ARG 34 HE ARG 34 -4.403 -5.394 -7.555 274 HH11 ARG 34 1HH1 ARG 34 -4.627 -5.343 -11.045 275 HH12 ARG 34 2HH1 ARG 34 -5.105 -7.006 -11.175 276 HH21 ARG 34 1HH2 ARG 34 -5.052 -7.594 -7.712 277 HH22 ARG 34 2HH2 ARG 34 -5.344 -8.286 -9.284 278 H VAL 35 H VAL 35 -5.913 0.257 -5.953 279 HA VAL 35 HA VAL 35 -7.722 -0.877 -3.931 280 HB VAL 35 HB VAL 35 -8.254 1.478 -3.237 281 HG11 VAL 35 1HG1 VAL 35 -6.269 1.728 -1.825 282 HG12 VAL 35 2HG1 VAL 35 -5.407 0.569 -2.836 283 HG13 VAL 35 3HG1 VAL 35 -6.806 0.050 -1.896 284 HG21 VAL 35 3HG2 VAL 35 -7.404 2.658 -5.198 285 HG22 VAL 35 1HG2 VAL 35 -5.766 2.131 -4.814 286 HG23 VAL 35 2HG2 VAL 35 -6.613 3.232 -3.731 287 H LYS 36 H LYS 36 -9.794 -1.032 -4.511 288 HA LYS 36 HA LYS 36 -10.530 -0.096 -7.163 289 HB2 LYS 36 1HB LYS 36 -11.063 -2.421 -6.175 290 HB3 LYS 36 2HB LYS 36 -12.292 -1.601 -5.228 291 HG2 LYS 36 1HG LYS 36 -12.271 -1.210 -8.174 292 HG3 LYS 36 2HG LYS 36 -12.858 -2.738 -7.522 293 HD2 LYS 36 1HD LYS 36 -14.480 -1.525 -6.148 294 HD3 LYS 36 2HD LYS 36 -13.889 0.006 -6.800 295 HE2 LYS 36 1HE LYS 36 -14.613 -0.581 -9.005 296 HE3 LYS 36 2HE LYS 36 -15.007 -2.221 -8.494 297 HZ1 LYS 36 3HZ LYS 36 -16.808 -1.422 -7.201 298 HZ2 LYS 36 1HZ LYS 36 -16.943 -0.708 -8.733 299 HZ3 LYS 36 2HZ LYS 36 -16.356 0.201 -7.423 300 H THR 37 H THR 37 -11.776 1.675 -7.509 301 HA THR 37 HA THR 37 -12.820 3.016 -5.109 302 HB THR 37 HB THR 37 -12.038 5.183 -6.128 303 HG1 THR 37 HG1 THR 37 -10.982 3.360 -7.970 304 HG21 THR 37 3HG2 THR 37 -9.715 4.921 -5.366 305 HG22 THR 37 1HG2 THR 37 -9.921 3.170 -5.364 306 HG23 THR 37 2HG2 THR 37 -10.858 4.170 -4.253 307 H GLU 38 H GLU 38 -14.250 4.893 -5.670 308 HA GLU 38 HA GLU 38 -15.961 4.215 -7.976 309 HB2 GLU 38 1HB GLU 38 -16.740 5.578 -5.389 310 HB3 GLU 38 2HB GLU 38 -17.824 5.195 -6.716 311 HG2 GLU 38 1HG GLU 38 -16.356 3.209 -5.003 312 HG3 GLU 38 2HG GLU 38 -18.065 3.622 -4.886 313 H GLY 39 H GLY 39 -16.099 5.713 -9.534 314 HA2 GLY 39 1HA GLY 39 -16.796 8.075 -9.905 315 HA3 GLY 39 2HA GLY 39 -15.497 8.511 -8.806 316 H TYR 40 H TYR 40 -14.809 9.877 -10.575 317 HA TYR 40 HA TYR 40 -13.130 8.381 -12.475 318 HB2 TYR 40 1HB TYR 40 -14.900 10.759 -13.000 319 HB3 TYR 40 2HB TYR 40 -13.503 10.426 -14.014 320 HD1 TYR 40 HD1 TYR 40 -16.795 9.146 -12.933 321 HD2 TYR 40 HD2 TYR 40 -13.532 8.676 -15.617 322 HE1 TYR 40 HE1 TYR 40 -18.132 7.576 -14.275 323 HE2 TYR 40 HE2 TYR 40 -14.855 7.109 -16.965 324 HH TYR 40 HH TYR 40 -16.745 5.637 -16.740 325 H ASN 41 H ASN 41 -11.049 8.927 -12.421 326 HA ASN 41 HA ASN 41 -10.330 11.475 -11.148 327 HB2 ASN 41 1HB ASN 41 -8.228 10.264 -10.352 328 HB3 ASN 41 2HB ASN 41 -9.733 9.864 -9.535 329 HD21 ASN 41 2HD2 ASN 41 -10.637 7.829 -9.819 330 HD22 ASN 41 1HD2 ASN 41 -9.750 6.514 -10.504 331 HA PRO 42 HA PRO 42 -8.380 11.412 -15.318 332 HB2 PRO 42 1HB PRO 42 -9.383 14.120 -15.595 333 HB3 PRO 42 2HB PRO 42 -9.757 12.700 -16.571 334 HG2 PRO 42 1HG PRO 42 -11.565 13.896 -14.928 335 HG3 PRO 42 2HG PRO 42 -11.604 12.169 -15.325 336 HD2 PRO 42 1HD PRO 42 -10.547 13.527 -12.870 337 HD3 PRO 42 2HD PRO 42 -11.508 12.037 -13.008 338 H SER 43 H SER 43 -8.652 14.203 -13.133 339 HA SER 43 HA SER 43 -5.751 14.582 -13.350 340 HB2 SER 43 1HB SER 43 -7.785 16.823 -13.192 341 HB3 SER 43 2HB SER 43 -6.039 16.994 -13.358 342 HG SER 43 HG SER 43 -6.614 17.121 -15.408 343 H ILE 44 H ILE 44 -5.708 13.321 -11.397 344 HA ILE 44 HA ILE 44 -6.211 14.982 -9.023 345 HB ILE 44 HB ILE 44 -6.897 12.035 -9.264 346 HG12 ILE 44 1HG1 ILE 44 -8.591 14.484 -8.746 347 HG13 ILE 44 2HG1 ILE 44 -8.622 13.469 -10.181 348 HG21 ILE 44 1HG2 ILE 44 -7.595 12.135 -6.922 349 HG22 ILE 44 2HG2 ILE 44 -7.007 13.793 -6.813 350 HG23 ILE 44 3HG2 ILE 44 -5.873 12.473 -7.092 351 HD11 ILE 44 3HD1 ILE 44 -10.527 13.037 -8.744 352 HD12 ILE 44 1HD1 ILE 44 -9.444 12.633 -7.411 353 HD13 ILE 44 2HD1 ILE 44 -9.484 11.618 -8.853 354 H ASN 45 H ASN 45 -4.801 14.387 -7.194 355 HA ASN 45 HA ASN 45 -2.141 13.869 -8.099 356 HB2 ASN 45 1HB ASN 45 -1.493 14.229 -5.744 357 HB3 ASN 45 2HB ASN 45 -2.518 15.519 -6.356 358 HD21 ASN 45 2HD2 ASN 45 -1.951 14.576 -3.613 359 HD22 ASN 45 1HD2 ASN 45 -3.495 14.244 -2.913 360 H VAL 46 H VAL 46 -3.242 11.667 -8.846 361 HA VAL 46 HA VAL 46 -3.458 9.562 -6.965 362 HB VAL 46 HB VAL 46 -2.832 9.347 -9.918 363 HG11 VAL 46 1HG1 VAL 46 -2.472 7.265 -8.701 364 HG12 VAL 46 2HG1 VAL 46 -3.886 7.143 -9.751 365 HG13 VAL 46 3HG1 VAL 46 -4.094 7.376 -8.014 366 HG21 VAL 46 3HG2 VAL 46 -5.258 9.117 -10.231 367 HG22 VAL 46 1HG2 VAL 46 -4.826 10.698 -9.574 368 HG23 VAL 46 2HG2 VAL 46 -5.502 9.457 -8.517 369 H ASN 47 H ASN 47 -0.760 11.019 -8.605 370 HA ASN 47 HA ASN 47 1.020 8.832 -7.884 371 HB2 ASN 47 1HB ASN 47 1.330 11.323 -9.519 372 HB3 ASN 47 2HB ASN 47 2.759 10.497 -8.902 373 HD21 ASN 47 2HD2 ASN 47 1.759 10.859 -11.658 374 HD22 ASN 47 1HD2 ASN 47 1.655 9.257 -12.309 375 H GLU 48 H GLU 48 -0.339 11.204 -6.212 376 HA GLU 48 HA GLU 48 2.035 11.662 -4.538 377 HB2 GLU 48 1HB GLU 48 0.615 13.627 -5.373 378 HB3 GLU 48 2HB GLU 48 -0.630 13.051 -4.272 379 HG2 GLU 48 1HG GLU 48 0.685 14.856 -3.298 380 HG3 GLU 48 2HG GLU 48 0.859 13.355 -2.386 381 H LEU 49 H LEU 49 -1.035 10.153 -4.772 382 HA LEU 49 HA LEU 49 -1.193 9.473 -1.952 383 HB2 LEU 49 1HB LEU 49 -2.901 8.547 -4.266 384 HB3 LEU 49 2HB LEU 49 -3.259 8.335 -2.563 385 HG LEU 49 HG LEU 49 -3.097 11.003 -3.967 386 HD11 LEU 49 1HD1 LEU 49 -5.487 9.386 -3.107 387 HD12 LEU 49 2HD1 LEU 49 -4.984 9.706 -4.766 388 HD13 LEU 49 3HD1 LEU 49 -5.534 11.032 -3.741 389 HD21 LEU 49 3HD2 LEU 49 -4.109 11.876 -1.924 390 HD22 LEU 49 1HD2 LEU 49 -2.547 11.127 -1.592 391 HD23 LEU 49 2HD2 LEU 49 -4.039 10.270 -1.197 392 H PHE 50 H PHE 50 -0.548 7.561 -1.103 393 HA PHE 50 HA PHE 50 0.117 5.348 -2.886 394 HB2 PHE 50 1HB PHE 50 2.082 6.642 -0.990 395 HB3 PHE 50 2HB PHE 50 2.303 5.029 -1.654 396 HD1 PHE 50 HD1 PHE 50 2.304 4.828 -4.220 397 HD2 PHE 50 HD2 PHE 50 2.890 8.481 -2.122 398 HE1 PHE 50 HE1 PHE 50 3.405 5.784 -6.202 399 HE2 PHE 50 HE2 PHE 50 3.989 9.445 -4.099 400 HZ PHE 50 HZ PHE 50 4.249 8.096 -6.141 401 H ALA 51 H ALA 51 0.945 3.454 -1.469 402 HA ALA 51 HA ALA 51 -0.691 3.308 0.970 403 HB1 ALA 51 3HB ALA 51 -1.181 1.577 -0.686 404 HB2 ALA 51 1HB ALA 51 -0.472 0.873 0.766 405 HB3 ALA 51 2HB ALA 51 0.512 1.083 -0.681 406 H TYR 52 H TYR 52 0.362 3.453 2.842 407 HA TYR 52 HA TYR 52 3.283 3.085 2.789 408 HB2 TYR 52 1HB TYR 52 3.331 4.781 4.639 409 HB3 TYR 52 2HB TYR 52 2.804 5.415 3.085 410 HD1 TYR 52 HD2 TYR 52 0.370 5.873 2.714 411 HD2 TYR 52 HD1 TYR 52 1.918 4.848 6.541 412 HE1 TYR 52 HE2 TYR 52 -1.666 6.755 3.768 413 HE2 TYR 52 HE1 TYR 52 -0.116 5.730 7.604 414 HH TYR 52 HH TYR 52 -2.924 6.319 5.979 415 H VAL 53 H VAL 53 4.276 2.106 4.517 416 HA VAL 53 HA VAL 53 2.480 0.791 6.439 417 HB VAL 53 HB VAL 53 4.328 -0.861 6.784 418 HG11 VAL 53 1HG1 VAL 53 2.448 -1.399 5.346 419 HG12 VAL 53 2HG1 VAL 53 3.934 -2.100 4.703 420 HG13 VAL 53 3HG1 VAL 53 3.257 -0.644 3.972 421 HG21 VAL 53 3HG2 VAL 53 6.206 0.475 6.008 422 HG22 VAL 53 1HG2 VAL 53 5.540 0.498 4.376 423 HG23 VAL 53 2HG2 VAL 53 6.094 -1.021 5.081 424 H ASP 54 H ASP 54 2.736 1.177 8.546 425 HA ASP 54 HA ASP 54 4.927 2.958 9.351 426 HB2 ASP 54 1HB ASP 54 2.277 2.406 10.699 427 HB3 ASP 54 2HB ASP 54 3.525 3.476 11.329 428 H LEU 55 H LEU 55 6.583 1.821 10.049 429 HA LEU 55 HA LEU 55 6.121 -0.679 11.468 430 HB2 LEU 55 1HB LEU 55 8.737 0.555 10.596 431 HB3 LEU 55 2HB LEU 55 8.491 -1.087 11.166 432 HG LEU 55 HG LEU 55 7.387 0.063 8.598 433 HD11 LEU 55 1HD1 LEU 55 9.611 -1.915 9.064 434 HD12 LEU 55 2HD1 LEU 55 9.794 -0.252 8.502 435 HD13 LEU 55 3HD1 LEU 55 8.962 -1.437 7.496 436 HD21 LEU 55 3HD2 LEU 55 6.708 -2.228 8.101 437 HD22 LEU 55 1HD2 LEU 55 5.910 -1.623 9.553 438 HD23 LEU 55 2HD2 LEU 55 7.264 -2.745 9.693 439 H SER 56 H SER 56 5.379 0.047 13.436 440 HA SER 56 HA SER 56 6.747 2.032 14.966 441 HB2 SER 56 1HB SER 56 5.172 1.170 16.792 442 HB3 SER 56 2HB SER 56 4.423 1.841 15.342 443 HG SER 56 HG SER 56 3.630 -0.276 16.181 444 H GLY 57 H GLY 57 7.684 -0.989 14.211 445 HA2 GLY 57 1HA GLY 57 9.631 -1.014 16.327 446 HA3 GLY 57 2HA GLY 57 8.491 -2.352 16.407 447 H SER 58 H SER 58 11.485 -1.827 15.577 448 HA SER 58 HA SER 58 11.539 -3.041 12.967 449 HB2 SER 58 1HB SER 58 13.817 -2.621 14.922 450 HB3 SER 58 2HB SER 58 13.958 -2.968 13.197 451 HG SER 58 HG SER 58 12.617 -0.939 13.004 452 H GLU 59 H GLU 59 10.237 -4.890 13.536 453 HA GLU 59 HA GLU 59 11.388 -6.809 15.398 454 HB2 GLU 59 1HB GLU 59 8.844 -7.055 13.790 455 HB3 GLU 59 2HB GLU 59 9.305 -7.992 15.205 456 HG2 GLU 59 1HG GLU 59 9.193 -5.962 16.572 457 HG3 GLU 59 2HG GLU 59 8.688 -5.048 15.152 458 HA PRO 60 HA PRO 60 13.431 -8.583 11.816 459 HB2 PRO 60 1HB PRO 60 14.621 -10.431 13.748 460 HB3 PRO 60 2HB PRO 60 15.406 -9.222 12.730 461 HG2 PRO 60 1HG PRO 60 15.205 -8.954 15.414 462 HG3 PRO 60 2HG PRO 60 15.198 -7.565 14.312 463 HD2 PRO 60 1HD PRO 60 12.902 -8.912 15.681 464 HD3 PRO 60 2HD PRO 60 13.200 -7.180 15.420 465 H GLY 61 H GLY 61 12.743 -10.138 10.520 466 HA2 GLY 61 1HA GLY 61 12.218 -12.515 10.214 467 HA3 GLY 61 2HA GLY 61 11.297 -12.424 11.711 468 H GLU 62 H GLU 62 9.953 -13.441 9.698 469 HA GLU 62 HA GLU 62 8.638 -11.462 8.078 470 HB2 GLU 62 1HB GLU 62 7.816 -14.328 8.582 471 HB3 GLU 62 2HB GLU 62 7.308 -13.304 7.244 472 HG2 GLU 62 1HG GLU 62 9.641 -13.225 6.460 473 HG3 GLU 62 2HG GLU 62 10.092 -14.324 7.761 474 H HIS 63 H HIS 63 7.331 -10.042 9.040 475 HA HIS 63 HA HIS 63 5.490 -11.053 11.108 476 HB2 HIS 63 1HB HIS 63 6.934 -8.414 10.947 477 HB3 HIS 63 2HB HIS 63 5.518 -8.648 11.970 478 HD1 HIS 63 HD1 HIS 63 9.140 -9.514 11.695 479 HD2 HIS 63 HD2 HIS 63 5.934 -10.260 14.235 480 HE1 HIS 63 HE1 HIS 63 10.137 -10.528 13.765 481 HE2 HIS 63 HE2 HIS 63 8.160 -11.184 15.179 482 H ASP 64 H ASP 64 3.465 -9.970 11.290 483 HA ASP 64 HA ASP 64 2.324 -9.463 8.661 484 HB2 ASP 64 1HB ASP 64 1.386 -11.119 10.327 485 HB3 ASP 64 2HB ASP 64 0.943 -9.754 11.339 486 H TYR 65 H TYR 65 2.093 -7.400 7.964 487 HA TYR 65 HA TYR 65 1.616 -5.322 9.997 488 HB2 TYR 65 1HB TYR 65 3.538 -5.208 7.676 489 HB3 TYR 65 2HB TYR 65 2.987 -3.770 8.531 490 HD1 TYR 65 HD2 TYR 65 3.284 -3.872 11.156 491 HD2 TYR 65 HD1 TYR 65 5.490 -6.233 8.388 492 HE1 TYR 65 HE2 TYR 65 5.046 -4.191 12.842 493 HE2 TYR 65 HE1 TYR 65 7.256 -6.559 10.067 494 HH TYR 65 HH TYR 65 6.844 -5.761 13.362 495 H GLU 66 H GLU 66 0.640 -3.341 9.160 496 HA GLU 66 HA GLU 66 -1.590 -4.104 7.457 497 HB2 GLU 66 1HB GLU 66 -1.125 -1.612 9.103 498 HB3 GLU 66 2HB GLU 66 -2.622 -2.030 8.281 499 HG2 GLU 66 1HG GLU 66 -2.891 -3.969 9.714 500 HG3 GLU 66 2HG GLU 66 -1.359 -3.607 10.512 501 H VAL 67 H VAL 67 -2.163 -3.110 5.568 502 HA VAL 67 HA VAL 67 -0.246 -1.228 4.390 503 HB VAL 67 HB VAL 67 -2.579 -2.660 3.094 504 HG11 VAL 67 1HG1 VAL 67 -0.335 -1.068 1.858 505 HG12 VAL 67 2HG1 VAL 67 -2.020 -0.558 1.986 506 HG13 VAL 67 3HG1 VAL 67 -1.591 -1.944 0.981 507 HG21 VAL 67 3HG2 VAL 67 -0.865 -4.055 2.018 508 HG22 VAL 67 1HG2 VAL 67 -0.870 -4.239 3.773 509 HG23 VAL 67 2HG2 VAL 67 0.374 -3.261 2.992 510 H LYS 68 H LYS 68 -0.688 0.867 4.692 511 HA LYS 68 HA LYS 68 -3.504 1.674 4.992 512 HB2 LYS 68 1HB LYS 68 -0.990 3.099 5.886 513 HB3 LYS 68 2HB LYS 68 -2.635 3.666 6.145 514 HG2 LYS 68 1HG LYS 68 -3.100 1.761 7.562 515 HG3 LYS 68 2HG LYS 68 -1.488 1.112 7.251 516 HD2 LYS 68 1HD LYS 68 -0.494 3.093 8.286 517 HD3 LYS 68 2HD LYS 68 -2.107 3.737 8.600 518 HE2 LYS 68 1HE LYS 68 -0.983 1.166 9.709 519 HE3 LYS 68 2HE LYS 68 -1.149 2.683 10.591 520 HZ1 LYS 68 3HZ LYS 68 -3.367 1.036 9.485 521 HZ2 LYS 68 1HZ LYS 68 -3.563 2.550 10.228 522 HZ3 LYS 68 2HZ LYS 68 -2.974 1.236 11.123 523 H VAL 69 H VAL 69 -4.387 2.855 3.421 524 HA VAL 69 HA VAL 69 -2.611 3.923 1.344 525 HB VAL 69 HB VAL 69 -5.594 3.421 1.216 526 HG11 VAL 69 1HG1 VAL 69 -4.890 5.172 -0.314 527 HG12 VAL 69 2HG1 VAL 69 -5.311 3.710 -1.207 528 HG13 VAL 69 3HG1 VAL 69 -3.617 4.131 -0.950 529 HG21 VAL 69 3HG2 VAL 69 -5.024 1.498 -0.189 530 HG22 VAL 69 1HG2 VAL 69 -4.360 1.335 1.436 531 HG23 VAL 69 2HG2 VAL 69 -3.310 1.799 0.095 532 H GLU 70 H GLU 70 -2.503 6.044 0.915 533 HA GLU 70 HA GLU 70 -3.424 8.044 2.613 534 HB2 GLU 70 1HB GLU 70 -2.679 8.124 -0.314 535 HB3 GLU 70 2HB GLU 70 -3.032 9.568 0.622 536 HG2 GLU 70 1HG GLU 70 -0.922 7.633 1.495 537 HG3 GLU 70 2HG GLU 70 -0.587 8.877 0.292 538 HA PRO 71 HA PRO 71 -7.831 8.002 1.781 539 HB2 PRO 71 1HB PRO 71 -7.549 10.763 2.865 540 HB3 PRO 71 2HB PRO 71 -8.677 9.482 3.325 541 HG2 PRO 71 1HG PRO 71 -6.589 10.071 4.870 542 HG3 PRO 71 2HG PRO 71 -7.108 8.391 4.642 543 HD2 PRO 71 1HD PRO 71 -4.783 9.836 3.453 544 HD3 PRO 71 2HD PRO 71 -4.916 8.144 3.970 545 H ILE 72 H ILE 72 -8.497 8.259 -0.232 546 HA ILE 72 HA ILE 72 -7.330 10.250 -1.958 547 HB ILE 72 HB ILE 72 -9.527 8.261 -2.570 548 HG12 ILE 72 1HG1 ILE 72 -6.546 8.027 -3.046 549 HG13 ILE 72 2HG1 ILE 72 -7.422 7.195 -1.767 550 HG21 ILE 72 1HG2 ILE 72 -9.411 10.094 -4.170 551 HG22 ILE 72 2HG2 ILE 72 -8.840 8.596 -4.906 552 HG23 ILE 72 3HG2 ILE 72 -7.683 9.818 -4.381 553 HD11 ILE 72 3HD1 ILE 72 -7.826 6.824 -4.723 554 HD12 ILE 72 1HD1 ILE 72 -8.727 5.999 -3.452 555 HD13 ILE 72 2HD1 ILE 72 -6.994 5.718 -3.631 556 HA PRO 73 HA PRO 73 -10.683 13.135 -1.187 557 HB2 PRO 73 1HB PRO 73 -9.760 15.088 -2.823 558 HB3 PRO 73 2HB PRO 73 -9.094 14.799 -1.213 559 HG2 PRO 73 1HG PRO 73 -8.037 13.958 -3.881 560 HG3 PRO 73 2HG PRO 73 -7.158 14.590 -2.475 561 HD2 PRO 73 1HD PRO 73 -7.266 11.943 -3.106 562 HD3 PRO 73 2HD PRO 73 -7.090 12.540 -1.445 563 H ASN 74 H ASN 74 -12.564 13.524 -2.232 564 HA ASN 74 HA ASN 74 -14.135 13.751 -3.856 565 HB2 ASN 74 1HB ASN 74 -12.520 14.976 -5.217 566 HB3 ASN 74 2HB ASN 74 -11.838 13.465 -5.805 567 HD21 ASN 74 2HD2 ASN 74 -12.953 12.277 -7.341 568 HD22 ASN 74 1HD2 ASN 74 -14.295 12.919 -8.219 569 H ILE 75 H ILE 75 -11.784 11.189 -4.462 570 HA ILE 75 HA ILE 75 -13.831 9.507 -5.682 571 HB ILE 75 HB ILE 75 -10.875 9.033 -5.248 572 HG12 ILE 75 1HG1 ILE 75 -11.357 10.839 -6.846 573 HG13 ILE 75 2HG1 ILE 75 -10.669 9.433 -7.654 574 HG21 ILE 75 1HG2 ILE 75 -12.874 7.432 -6.832 575 HG22 ILE 75 2HG2 ILE 75 -12.092 6.937 -5.331 576 HG23 ILE 75 3HG2 ILE 75 -11.131 7.156 -6.794 577 HD11 ILE 75 3HD1 ILE 75 -12.892 8.778 -8.408 578 HD12 ILE 75 1HD1 ILE 75 -12.479 10.406 -8.947 579 HD13 ILE 75 2HD1 ILE 75 -13.584 10.178 -7.590 580 H LYS 76 H LYS 76 -14.724 7.732 -4.727 581 HA LYS 76 HA LYS 76 -14.262 7.346 -1.882 582 HB2 LYS 76 1HB LYS 76 -16.559 7.304 -2.732 583 HB3 LYS 76 2HB LYS 76 -16.155 5.968 -3.803 584 HG2 LYS 76 1HG LYS 76 -15.532 4.695 -1.673 585 HG3 LYS 76 2HG LYS 76 -16.403 5.967 -0.816 586 HD2 LYS 76 1HD LYS 76 -18.417 5.467 -2.102 587 HD3 LYS 76 2HD LYS 76 -17.545 4.216 -2.993 588 HE2 LYS 76 1HE LYS 76 -17.124 3.062 -0.828 589 HE3 LYS 76 2HE LYS 76 -18.157 4.253 -0.041 590 HZ1 LYS 76 3HZ LYS 76 -18.969 2.325 -2.153 591 HZ2 LYS 76 1HZ LYS 76 -19.978 3.528 -1.510 592 HZ3 LYS 76 2HZ LYS 76 -19.409 2.275 -0.516 593 H ILE 77 H ILE 77 -13.152 5.674 -0.977 594 HA ILE 77 HA ILE 77 -11.885 3.777 -2.814 595 HB ILE 77 HB ILE 77 -10.412 4.965 -1.232 596 HG12 ILE 77 1HG1 ILE 77 -10.612 1.998 -0.658 597 HG13 ILE 77 2HG1 ILE 77 -9.812 2.711 -2.055 598 HG21 ILE 77 1HG2 ILE 77 -11.950 3.501 0.905 599 HG22 ILE 77 2HG2 ILE 77 -11.940 5.244 0.629 600 HG23 ILE 77 3HG2 ILE 77 -10.470 4.425 1.159 601 HD11 ILE 77 3HD1 ILE 77 -8.205 3.798 -0.588 602 HD12 ILE 77 1HD1 ILE 77 -8.218 2.051 -0.344 603 HD13 ILE 77 2HD1 ILE 77 -9.016 3.111 0.819 604 H VAL 78 H VAL 78 -12.337 1.644 -2.824 605 HA VAL 78 HA VAL 78 -14.534 0.759 -1.070 606 HB VAL 78 HB VAL 78 -13.734 -0.359 -3.760 607 HG11 VAL 78 1HG1 VAL 78 -15.914 -1.480 -3.679 608 HG12 VAL 78 2HG1 VAL 78 -16.163 -0.856 -2.048 609 HG13 VAL 78 3HG1 VAL 78 -14.848 -1.988 -2.370 610 HG21 VAL 78 3HG2 VAL 78 -15.951 1.554 -3.062 611 HG22 VAL 78 1HG2 VAL 78 -15.752 0.753 -4.621 612 HG23 VAL 78 2HG2 VAL 78 -14.529 1.889 -4.053 613 H GLU 79 H GLU 79 -11.708 -0.505 -2.813 614 HA GLU 79 HA GLU 79 -11.509 -2.635 -0.789 615 HB2 GLU 79 1HB GLU 79 -12.499 -3.606 -2.750 616 HB3 GLU 79 2HB GLU 79 -11.304 -2.849 -3.794 617 HG2 GLU 79 1HG GLU 79 -9.558 -4.242 -2.776 618 HG3 GLU 79 2HG GLU 79 -10.785 -5.025 -1.780 619 H ILE 80 H ILE 80 -9.603 -2.641 0.190 620 HA ILE 80 HA ILE 80 -7.253 -1.596 -1.223 621 HB ILE 80 HB ILE 80 -7.509 -2.464 1.668 622 HG12 ILE 80 1HG1 ILE 80 -7.482 0.329 0.495 623 HG13 ILE 80 2HG1 ILE 80 -8.905 -0.487 1.138 624 HG21 ILE 80 1HG2 ILE 80 -5.234 -2.619 0.810 625 HG22 ILE 80 2HG2 ILE 80 -5.377 -1.300 1.973 626 HG23 ILE 80 3HG2 ILE 80 -5.321 -0.951 0.244 627 HD11 ILE 80 3HD1 ILE 80 -6.445 0.280 2.695 628 HD12 ILE 80 1HD1 ILE 80 -7.856 -0.555 3.345 629 HD13 ILE 80 2HD1 ILE 80 -8.009 1.093 2.739 630 H SER 81 H SER 81 -6.156 -3.078 -2.377 631 HA SER 81 HA SER 81 -5.935 -5.774 -1.242 632 HB2 SER 81 1HB SER 81 -5.952 -6.633 -3.622 633 HB3 SER 81 2HB SER 81 -7.488 -6.000 -3.034 634 HG SER 81 HG SER 81 -6.361 -3.934 -4.069 635 HA PRO 82 HA PRO 82 -4.829 -6.785 -0.348 636 HB2 PRO 82 1HB PRO 82 -2.727 -7.426 1.148 637 HB3 PRO 82 2HB PRO 82 -2.965 -8.157 -0.443 638 HG2 PRO 82 1HG PRO 82 -1.094 -5.991 0.389 639 HG3 PRO 82 2HG PRO 82 -0.851 -7.297 -0.783 640 HD2 PRO 82 1HD PRO 82 -1.549 -4.649 -1.379 641 HD3 PRO 82 2HD PRO 82 -1.664 -6.031 -2.484 642 H ARG 83 H ARG 83 -5.228 -6.563 1.965 643 HA ARG 83 HA ARG 83 -4.961 -3.815 2.886 644 HB2 ARG 83 1HB ARG 83 -6.393 -6.207 4.058 645 HB3 ARG 83 2HB ARG 83 -6.371 -4.617 4.803 646 HG2 ARG 83 1HG ARG 83 -7.580 -3.668 2.977 647 HG3 ARG 83 2HG ARG 83 -7.443 -5.163 2.049 648 HD2 ARG 83 1HD ARG 83 -8.943 -4.787 4.638 649 HD3 ARG 83 2HD ARG 83 -9.653 -4.986 3.034 650 HE ARG 83 HE ARG 83 -8.263 -7.221 3.178 651 HH11 ARG 83 1HH1 ARG 83 -10.305 -5.726 5.611 652 HH12 ARG 83 2HH1 ARG 83 -10.610 -7.219 6.441 653 HH21 ARG 83 1HH2 ARG 83 -8.696 -9.176 4.261 654 HH22 ARG 83 2HH2 ARG 83 -9.685 -9.173 5.690 655 H VAL 84 H VAL 84 -3.558 -6.913 3.412 656 HA VAL 84 HA VAL 84 -1.842 -5.801 5.521 657 HB VAL 84 HB VAL 84 -3.124 -8.543 5.620 658 HG11 VAL 84 1HG1 VAL 84 -1.224 -7.181 7.518 659 HG12 VAL 84 2HG1 VAL 84 -0.879 -8.589 6.512 660 HG13 VAL 84 3HG1 VAL 84 -2.049 -8.709 7.827 661 HG21 VAL 84 3HG2 VAL 84 -4.702 -6.772 6.200 662 HG22 VAL 84 1HG2 VAL 84 -3.560 -6.132 7.379 663 HG23 VAL 84 2HG2 VAL 84 -4.273 -7.727 7.619 664 H VAL 85 H VAL 85 0.280 -6.344 5.319 665 HA VAL 85 HA VAL 85 0.966 -8.369 3.292 666 HB VAL 85 HB VAL 85 3.055 -7.033 2.850 667 HG11 VAL 85 1HG1 VAL 85 0.427 -5.733 2.155 668 HG12 VAL 85 2HG1 VAL 85 1.201 -7.053 1.279 669 HG13 VAL 85 3HG1 VAL 85 1.959 -5.461 1.326 670 HG21 VAL 85 3HG2 VAL 85 1.535 -4.874 4.313 671 HG22 VAL 85 1HG2 VAL 85 3.021 -4.640 3.391 672 HG23 VAL 85 2HG2 VAL 85 3.034 -5.636 4.846 673 H THR 86 H THR 86 2.855 -9.568 3.641 674 HA THR 86 HA THR 86 3.664 -9.680 6.460 675 HB THR 86 HB THR 86 4.158 -11.736 4.294 676 HG1 THR 86 HG1 THR 86 1.850 -11.161 5.078 677 HG21 THR 86 3HG2 THR 86 5.677 -11.888 6.212 678 HG22 THR 86 1HG2 THR 86 4.558 -13.252 6.181 679 HG23 THR 86 2HG2 THR 86 4.294 -11.921 7.309 680 H LEU 87 H LEU 87 5.419 -8.493 6.859 681 HA LEU 87 HA LEU 87 7.369 -8.104 4.701 682 HB2 LEU 87 1HB LEU 87 6.925 -6.519 7.231 683 HB3 LEU 87 2HB LEU 87 8.133 -6.160 6.014 684 HG LEU 87 HG LEU 87 5.144 -6.080 5.595 685 HD11 LEU 87 1HD1 LEU 87 5.478 -3.662 5.397 686 HD12 LEU 87 2HD1 LEU 87 7.180 -3.866 5.817 687 HD13 LEU 87 3HD1 LEU 87 5.926 -4.258 6.996 688 HD21 LEU 87 3HD2 LEU 87 5.697 -5.098 3.422 689 HD22 LEU 87 1HD2 LEU 87 6.323 -6.740 3.571 690 HD23 LEU 87 2HD2 LEU 87 7.412 -5.362 3.741 691 H GLN 88 H GLN 88 9.445 -8.669 4.891 692 HA GLN 88 HA GLN 88 10.240 -10.171 7.288 693 HB2 GLN 88 1HB GLN 88 11.613 -9.986 4.597 694 HB3 GLN 88 2HB GLN 88 12.019 -11.089 5.904 695 HG2 GLN 88 1HG GLN 88 9.994 -12.300 5.618 696 HG3 GLN 88 2HG GLN 88 9.364 -11.093 4.498 697 HE21 GLN 88 2HE2 GLN 88 9.715 -13.943 4.099 698 HE22 GLN 88 1HE2 GLN 88 10.774 -14.108 2.731 699 H LEU 89 H LEU 89 11.209 -8.904 8.778 700 HA LEU 89 HA LEU 89 12.875 -6.684 7.819 701 HB2 LEU 89 1HB LEU 89 11.594 -7.168 10.501 702 HB3 LEU 89 2HB LEU 89 12.693 -5.844 10.167 703 HG LEU 89 HG LEU 89 9.987 -6.282 8.912 704 HD11 LEU 89 1HD1 LEU 89 11.022 -4.186 10.814 705 HD12 LEU 89 2HD1 LEU 89 9.888 -5.480 11.203 706 HD13 LEU 89 3HD1 LEU 89 9.419 -4.206 10.079 707 HD21 LEU 89 3HD2 LEU 89 11.987 -4.070 8.471 708 HD22 LEU 89 1HD2 LEU 89 10.361 -4.153 7.793 709 HD23 LEU 89 2HD2 LEU 89 11.577 -5.335 7.313 710 H GLU 90 H GLU 90 14.959 -6.466 8.373 711 HA GLU 90 HA GLU 90 16.099 -8.273 10.388 712 HB2 GLU 90 1HB GLU 90 16.556 -8.993 7.946 713 HB3 GLU 90 2HB GLU 90 17.573 -7.564 7.848 714 HG2 GLU 90 1HG GLU 90 18.902 -8.425 9.741 715 HG3 GLU 90 2HG GLU 90 17.921 -9.890 9.727 716 H HIS 91 H HIS 91 18.462 -7.352 10.875 717 HA HIS 91 HA HIS 91 18.161 -4.449 11.159 718 HB2 HIS 91 1HB HIS 91 19.888 -6.442 12.624 719 HB3 HIS 91 2HB HIS 91 20.153 -4.707 12.744 720 HD1 HIS 91 HD1 HIS 91 18.234 -3.298 13.914 721 HD2 HIS 91 HD2 HIS 91 17.834 -7.432 14.169 722 HE1 HIS 91 HE1 HIS 91 16.538 -3.707 15.715 723 HE2 HIS 91 HE2 HIS 91 16.531 -6.201 16.039 724 H HIS 92 H HIS 92 19.193 -3.192 9.783 725 HA HIS 92 HA HIS 92 21.122 -4.246 7.948 726 HB2 HIS 92 1HB HIS 92 19.564 -2.445 7.289 727 HB3 HIS 92 2HB HIS 92 20.312 -1.370 8.465 728 HD1 HIS 92 HD1 HIS 92 20.898 -2.951 5.116 729 HD2 HIS 92 HD2 HIS 92 22.757 -0.257 7.680 730 HE1 HIS 92 HE1 HIS 92 22.752 -1.912 3.778 731 HE2 HIS 92 HE2 HIS 92 24.001 -0.469 5.421 732 H HIS 93 H HIS 93 23.163 -4.610 8.443 733 HA HIS 93 HA HIS 93 24.343 -3.348 10.771 734 HB2 HIS 93 1HB HIS 93 25.550 -5.311 8.808 735 HB3 HIS 93 2HB HIS 93 26.268 -4.809 10.333 736 HD1 HIS 93 HD1 HIS 93 25.462 -5.965 12.450 737 HD2 HIS 93 HD2 HIS 93 23.323 -7.057 9.057 738 HE1 HIS 93 HE1 HIS 93 24.063 -7.941 13.135 739 HE2 HIS 93 HE2 HIS 93 22.930 -8.698 11.012 740 H HIS 94 H HIS 94 26.176 -2.031 10.751 741 HA HIS 94 HA HIS 94 26.406 -0.306 8.469 742 HB2 HIS 94 1HB HIS 94 26.672 0.361 10.920 743 HB3 HIS 94 2HB HIS 94 28.257 -0.400 10.857 744 HD1 HIS 94 HD1 HIS 94 26.385 2.633 9.782 745 HD2 HIS 94 HD2 HIS 94 30.192 1.008 9.344 746 HE1 HIS 94 HE1 HIS 94 27.824 4.495 8.893 747 HE2 HIS 94 HE2 HIS 94 30.129 3.506 8.662 748 H HIS 95 H HIS 95 28.066 -3.058 9.745 749 HA HIS 95 HA HIS 95 29.477 -3.254 7.205 750 HB2 HIS 95 1HB HIS 95 31.502 -4.182 8.344 751 HB3 HIS 95 2HB HIS 95 31.236 -2.473 8.638 752 HD1 HIS 95 HD1 HIS 95 31.035 -1.727 11.036 753 HD2 HIS 95 HD2 HIS 95 30.993 -5.866 10.630 754 HE1 HIS 95 HE1 HIS 95 31.271 -2.639 13.365 755 HE2 HIS 95 HE2 HIS 95 31.289 -5.145 13.100 756 H HIS 96 H HIS 96 29.009 -5.068 6.256 757 HA HIS 96 HA HIS 96 28.232 -7.147 5.823 758 HB2 HIS 96 1HB HIS 96 30.190 -7.831 7.194 759 HB3 HIS 96 2HB HIS 96 29.170 -7.805 8.627 760 HD1 HIS 96 HD1 HIS 96 29.298 -9.583 5.265 761 HD2 HIS 96 HD2 HIS 96 28.037 -10.198 9.182 762 HE1 HIS 96 HE1 HIS 96 28.490 -11.968 5.357 763 HE2 HIS 96 HE2 HIS 96 27.540 -12.242 7.676 Start of MODEL 13 1 H1 SER 1 1H SER 1 -13.577 12.066 -16.492 2 H2 SER 1 2H SER 1 -15.085 11.678 -15.826 3 H3 SER 1 3H SER 1 -14.974 12.114 -17.458 4 HA SER 1 HA SER 1 -13.561 10.143 -17.842 5 HB2 SER 1 1HB SER 1 -14.534 9.360 -15.081 6 HB3 SER 1 2HB SER 1 -13.479 8.421 -16.137 7 HG SER 1 HG SER 1 -11.862 9.484 -15.328 8 H SER 2 H SER 2 -14.775 9.200 -19.322 9 HA SER 2 HA SER 2 -17.640 8.890 -18.828 10 HB2 SER 2 1HB SER 2 -17.690 8.619 -21.359 11 HB3 SER 2 2HB SER 2 -17.184 10.201 -20.767 12 HG SER 2 HG SER 2 -15.877 8.664 -22.417 13 H GLN 3 H GLN 3 -18.045 7.000 -20.943 14 HA GLN 3 HA GLN 3 -17.867 4.597 -19.501 15 HB2 GLN 3 1HB GLN 3 -19.600 5.034 -21.165 16 HB3 GLN 3 2HB GLN 3 -18.392 5.063 -22.441 17 HG2 GLN 3 1HG GLN 3 -17.907 2.712 -22.049 18 HG3 GLN 3 2HG GLN 3 -19.097 2.676 -20.749 19 HE21 GLN 3 2HE2 GLN 3 -18.909 1.205 -23.302 20 HE22 GLN 3 1HE2 GLN 3 -20.426 1.484 -24.102 21 H THR 4 H THR 4 -15.500 6.150 -21.404 22 HA THR 4 HA THR 4 -14.060 3.871 -22.294 23 HB THR 4 HB THR 4 -12.108 5.549 -22.340 24 HG1 THR 4 HG1 THR 4 -12.628 7.674 -21.995 25 HG21 THR 4 3HG2 THR 4 -12.998 6.649 -24.336 26 HG22 THR 4 1HG2 THR 4 -14.630 6.155 -23.886 27 HG23 THR 4 2HG2 THR 4 -13.427 4.938 -24.312 28 H LEU 5 H LEU 5 -14.597 5.141 -19.241 29 HA LEU 5 HA LEU 5 -12.409 3.516 -18.138 30 HB2 LEU 5 1HB LEU 5 -11.945 5.946 -17.879 31 HB3 LEU 5 2HB LEU 5 -13.457 6.124 -17.015 32 HG LEU 5 HG LEU 5 -12.597 4.634 -15.237 33 HD11 LEU 5 1HD1 LEU 5 -10.009 4.776 -16.778 34 HD12 LEU 5 2HD1 LEU 5 -11.024 3.344 -16.594 35 HD13 LEU 5 3HD1 LEU 5 -10.234 4.052 -15.185 36 HD21 LEU 5 3HD2 LEU 5 -12.389 7.051 -15.018 37 HD22 LEU 5 1HD2 LEU 5 -10.846 7.007 -15.872 38 HD23 LEU 5 2HD2 LEU 5 -11.004 6.234 -14.294 39 H ASP 6 H ASP 6 -12.942 2.740 -15.906 40 HA ASP 6 HA ASP 6 -15.601 1.699 -15.828 41 HB2 ASP 6 1HB ASP 6 -13.415 1.632 -13.731 42 HB3 ASP 6 2HB ASP 6 -14.915 0.714 -13.657 43 H ARG 7 H ARG 7 -17.255 2.182 -14.387 44 HA ARG 7 HA ARG 7 -17.548 4.857 -13.533 45 HB2 ARG 7 1HB ARG 7 -19.465 3.432 -14.021 46 HB3 ARG 7 2HB ARG 7 -19.022 2.342 -12.716 47 HG2 ARG 7 1HG ARG 7 -19.488 4.076 -11.083 48 HG3 ARG 7 2HG ARG 7 -19.876 5.210 -12.380 49 HD2 ARG 7 1HD ARG 7 -21.899 4.257 -11.389 50 HD3 ARG 7 2HD ARG 7 -21.729 3.798 -13.082 51 HE ARG 7 HE ARG 7 -20.579 1.741 -11.689 52 HH11 ARG 7 1HH1 ARG 7 -23.734 3.258 -11.768 53 HH12 ARG 7 2HH1 ARG 7 -24.572 1.829 -11.235 54 HH21 ARG 7 1HH2 ARG 7 -21.675 -0.138 -11.022 55 HH22 ARG 7 2HH2 ARG 7 -23.400 -0.095 -10.790 56 H ASP 8 H ASP 8 -16.621 1.900 -11.918 57 HA ASP 8 HA ASP 8 -15.375 3.525 -9.826 58 HB2 ASP 8 1HB ASP 8 -15.732 1.587 -8.257 59 HB3 ASP 8 2HB ASP 8 -17.198 2.434 -8.725 60 HA PRO 9 HA PRO 9 -12.195 1.227 -12.071 61 HB2 PRO 9 1HB PRO 9 -10.442 3.425 -11.938 62 HB3 PRO 9 2HB PRO 9 -11.486 2.983 -13.287 63 HG2 PRO 9 1HG PRO 9 -11.718 5.269 -11.661 64 HG3 PRO 9 2HG PRO 9 -12.905 4.679 -12.835 65 HD2 PRO 9 1HD PRO 9 -12.857 4.385 -9.880 66 HD3 PRO 9 2HD PRO 9 -14.242 4.470 -10.989 67 H THR 10 H THR 10 -9.944 0.693 -11.666 68 HA THR 10 HA THR 10 -9.380 0.569 -8.787 69 HB THR 10 HB THR 10 -8.106 -1.024 -11.020 70 HG1 THR 10 HG1 THR 10 -10.539 -1.199 -10.475 71 HG21 THR 10 3HG2 THR 10 -7.489 -2.571 -9.212 72 HG22 THR 10 1HG2 THR 10 -8.214 -1.479 -8.032 73 HG23 THR 10 2HG2 THR 10 -6.799 -0.969 -8.952 74 H LEU 11 H LEU 11 -7.546 1.428 -7.920 75 HA LEU 11 HA LEU 11 -5.835 2.958 -9.760 76 HB2 LEU 11 1HB LEU 11 -6.372 3.343 -6.814 77 HB3 LEU 11 2HB LEU 11 -5.210 4.276 -7.738 78 HG LEU 11 HG LEU 11 -8.189 4.226 -8.224 79 HD11 LEU 11 1HD1 LEU 11 -8.127 6.530 -7.383 80 HD12 LEU 11 2HD1 LEU 11 -6.418 6.333 -6.993 81 HD13 LEU 11 3HD1 LEU 11 -7.632 5.366 -6.154 82 HD21 LEU 11 3HD2 LEU 11 -6.006 5.878 -9.488 83 HD22 LEU 11 1HD2 LEU 11 -7.738 6.081 -9.758 84 HD23 LEU 11 2HD2 LEU 11 -6.933 4.599 -10.274 85 H THR 12 H THR 12 -3.683 2.670 -9.786 86 HA THR 12 HA THR 12 -2.621 0.483 -8.127 87 HB THR 12 HB THR 12 -1.487 1.553 -10.720 88 HG1 THR 12 HG1 THR 12 -3.480 0.570 -11.138 89 HG21 THR 12 3HG2 THR 12 -0.207 -0.544 -10.722 90 HG22 THR 12 1HG2 THR 12 -0.907 -0.972 -9.161 91 HG23 THR 12 2HG2 THR 12 0.156 0.429 -9.296 92 H LEU 13 H LEU 13 -1.425 1.148 -6.483 93 HA LEU 13 HA LEU 13 0.076 3.674 -6.752 94 HB2 LEU 13 1HB LEU 13 -1.150 2.544 -4.232 95 HB3 LEU 13 2HB LEU 13 -0.285 4.063 -4.375 96 HG LEU 13 HG LEU 13 -2.941 3.424 -5.665 97 HD11 LEU 13 1HD1 LEU 13 -3.097 3.692 -3.245 98 HD12 LEU 13 2HD1 LEU 13 -3.844 5.048 -4.089 99 HD13 LEU 13 3HD1 LEU 13 -2.251 5.236 -3.357 100 HD21 LEU 13 3HD2 LEU 13 -1.611 4.950 -7.022 101 HD22 LEU 13 1HD2 LEU 13 -1.345 5.982 -5.617 102 HD23 LEU 13 2HD2 LEU 13 -2.969 5.791 -6.275 103 H SER 14 H SER 14 1.962 3.786 -5.233 104 HA SER 14 HA SER 14 3.304 1.179 -5.158 105 HB2 SER 14 1HB SER 14 4.490 3.951 -4.856 106 HB3 SER 14 2HB SER 14 5.383 2.442 -5.042 107 HG SER 14 HG SER 14 3.832 3.850 -6.934 108 H LEU 15 H LEU 15 4.170 0.358 -3.267 109 HA LEU 15 HA LEU 15 3.082 1.474 -0.805 110 HB2 LEU 15 1HB LEU 15 2.884 -0.961 -1.370 111 HB3 LEU 15 2HB LEU 15 4.626 -1.089 -1.225 112 HG LEU 15 HG LEU 15 4.411 -0.353 1.162 113 HD11 LEU 15 1HD1 LEU 15 2.249 0.768 0.968 114 HD12 LEU 15 2HD1 LEU 15 2.219 -0.482 2.212 115 HD13 LEU 15 3HD1 LEU 15 1.474 -0.783 0.642 116 HD21 LEU 15 3HD2 LEU 15 3.627 -2.517 1.962 117 HD22 LEU 15 1HD2 LEU 15 4.661 -2.705 0.545 118 HD23 LEU 15 2HD2 LEU 15 2.910 -2.851 0.385 119 H ILE 16 H ILE 16 4.264 2.587 0.621 120 HA ILE 16 HA ILE 16 7.191 2.576 0.276 121 HB ILE 16 HB ILE 16 7.215 4.841 1.247 122 HG12 ILE 16 1HG1 ILE 16 4.202 4.719 0.982 123 HG13 ILE 16 2HG1 ILE 16 5.075 4.630 2.508 124 HG21 ILE 16 1HG2 ILE 16 5.479 4.522 -1.198 125 HG22 ILE 16 2HG2 ILE 16 7.242 4.584 -1.158 126 HG23 ILE 16 3HG2 ILE 16 6.299 6.008 -0.717 127 HD11 ILE 16 3HD1 ILE 16 5.955 6.878 2.125 128 HD12 ILE 16 1HD1 ILE 16 4.191 6.853 2.142 129 HD13 ILE 16 2HD1 ILE 16 5.058 6.964 0.609 130 H ALA 17 H ALA 17 8.453 3.012 2.213 131 HA ALA 17 HA ALA 17 7.415 1.527 4.500 132 HB1 ALA 17 3HB ALA 17 9.745 1.448 5.228 133 HB2 ALA 17 1HB ALA 17 10.205 2.492 3.882 134 HB3 ALA 17 2HB ALA 17 9.577 0.873 3.568 135 H LYS 18 H LYS 18 6.199 2.845 5.767 136 HA LYS 18 HA LYS 18 7.216 5.540 6.329 137 HB2 LYS 18 1HB LYS 18 4.939 5.457 5.465 138 HB3 LYS 18 2HB LYS 18 4.466 4.364 6.761 139 HG2 LYS 18 1HG LYS 18 4.934 6.120 8.404 140 HG3 LYS 18 2HG LYS 18 5.386 7.214 7.095 141 HD2 LYS 18 1HD LYS 18 3.148 7.089 6.180 142 HD3 LYS 18 2HD LYS 18 2.682 5.919 7.414 143 HE2 LYS 18 1HE LYS 18 3.533 8.772 7.904 144 HE3 LYS 18 2HE LYS 18 1.880 8.163 7.951 145 HZ1 LYS 18 3HZ LYS 18 4.006 7.900 9.914 146 HZ2 LYS 18 1HZ LYS 18 3.039 6.519 9.693 147 HZ3 LYS 18 2HZ LYS 18 2.330 7.993 10.133 148 H ASN 19 H ASN 19 7.826 6.165 8.281 149 HA ASN 19 HA ASN 19 8.392 6.151 10.476 150 HB2 ASN 19 1HB ASN 19 5.885 5.914 10.720 151 HB3 ASN 19 2HB ASN 19 6.131 4.178 10.883 152 HD21 ASN 19 2HD2 ASN 19 5.300 4.150 12.963 153 HD22 ASN 19 1HD2 ASN 19 6.171 4.787 14.319 154 H THR 20 H THR 20 9.216 3.985 8.506 155 HA THR 20 HA THR 20 9.680 1.579 9.850 156 HB THR 20 HB THR 20 11.213 2.845 7.570 157 HG1 THR 20 HG1 THR 20 8.776 1.658 7.806 158 HG21 THR 20 3HG2 THR 20 11.138 -0.034 8.495 159 HG22 THR 20 1HG2 THR 20 12.519 1.054 8.628 160 HG23 THR 20 2HG2 THR 20 11.937 0.560 7.039 161 HA PRO 21 HA PRO 21 12.383 2.976 13.040 162 HB2 PRO 21 1HB PRO 21 13.167 0.106 13.062 163 HB3 PRO 21 2HB PRO 21 12.598 1.130 14.386 164 HG2 PRO 21 1HG PRO 21 10.989 -0.678 13.295 165 HG3 PRO 21 2HG PRO 21 10.371 0.915 13.768 166 HD2 PRO 21 1HD PRO 21 11.041 -0.129 11.052 167 HD3 PRO 21 2HD PRO 21 9.705 0.923 11.560 168 H ALA 22 H ALA 22 14.631 2.993 13.638 169 HA ALA 22 HA ALA 22 16.343 3.151 11.327 170 HB1 ALA 22 3HB ALA 22 16.978 3.605 14.244 171 HB2 ALA 22 1HB ALA 22 16.452 4.844 13.103 172 HB3 ALA 22 2HB ALA 22 18.003 4.037 12.875 173 H ASN 23 H ASN 23 18.230 1.968 10.985 174 HA ASN 23 HA ASN 23 19.601 0.168 10.952 175 HB2 ASN 23 1HB ASN 23 18.709 -0.132 13.825 176 HB3 ASN 23 2HB ASN 23 19.976 -1.097 13.078 177 HD21 ASN 23 2HD2 ASN 23 19.106 1.973 14.377 178 HD22 ASN 23 1HD2 ASN 23 20.690 2.673 14.347 179 H SER 24 H SER 24 16.952 -0.108 9.986 180 HA SER 24 HA SER 24 16.554 -2.983 10.480 181 HB2 SER 24 1HB SER 24 14.153 -2.662 10.045 182 HB3 SER 24 2HB SER 24 14.683 -1.685 11.414 183 HG SER 24 HG SER 24 14.300 0.088 10.316 184 H MET 25 H MET 25 15.682 -4.175 8.654 185 HA MET 25 HA MET 25 15.889 -2.897 6.035 186 HB2 MET 25 1HB MET 25 18.128 -3.869 6.504 187 HB3 MET 25 2HB MET 25 17.374 -5.441 6.741 188 HG2 MET 25 1HG MET 25 16.520 -5.277 4.389 189 HG3 MET 25 2HG MET 25 17.532 -3.847 4.198 190 HE1 MET 25 3HE MET 25 17.383 -7.706 4.598 191 HE2 MET 25 1HE MET 25 18.155 -7.247 6.115 192 HE3 MET 25 2HE MET 25 19.067 -8.136 4.894 193 H ILE 26 H ILE 26 14.255 -3.544 4.762 194 HA ILE 26 HA ILE 26 12.611 -5.791 5.676 195 HB ILE 26 HB ILE 26 11.967 -3.912 3.401 196 HG12 ILE 26 1HG1 ILE 26 11.202 -3.595 6.316 197 HG13 ILE 26 2HG1 ILE 26 12.386 -2.605 5.472 198 HG21 ILE 26 1HG2 ILE 26 10.254 -5.640 5.187 199 HG22 ILE 26 2HG2 ILE 26 10.660 -5.959 3.500 200 HG23 ILE 26 3HG2 ILE 26 9.655 -4.571 3.918 201 HD11 ILE 26 3HD1 ILE 26 10.632 -1.799 3.973 202 HD12 ILE 26 1HD1 ILE 26 10.266 -1.452 5.663 203 HD13 ILE 26 2HD1 ILE 26 9.449 -2.781 4.839 204 H MET 27 H MET 27 13.217 -7.712 4.893 205 HA MET 27 HA MET 27 14.663 -8.027 2.444 206 HB2 MET 27 1HB MET 27 13.296 -10.046 4.228 207 HB3 MET 27 2HB MET 27 14.249 -10.478 2.817 208 HG2 MET 27 1HG MET 27 16.205 -9.380 3.854 209 HG3 MET 27 2HG MET 27 15.231 -9.083 5.294 210 HE1 MET 27 3HE MET 27 16.254 -13.309 3.744 211 HE2 MET 27 1HE MET 27 16.823 -11.832 2.970 212 HE3 MET 27 2HE MET 27 15.105 -12.230 2.951 213 H THR 28 H THR 28 11.326 -8.108 3.357 214 HA THR 28 HA THR 28 10.366 -9.296 0.929 215 HB THR 28 HB THR 28 8.720 -7.605 2.802 216 HG1 THR 28 HG1 THR 28 8.999 -10.355 3.310 217 HG21 THR 28 3HG2 THR 28 7.641 -8.475 0.779 218 HG22 THR 28 1HG2 THR 28 6.972 -9.223 2.230 219 HG23 THR 28 2HG2 THR 28 8.118 -10.113 1.228 220 H LYS 29 H LYS 29 10.081 -8.264 -0.973 221 HA LYS 29 HA LYS 29 10.844 -5.520 -1.213 222 HB2 LYS 29 1HB LYS 29 11.282 -7.217 -2.977 223 HB3 LYS 29 2HB LYS 29 9.551 -7.301 -3.288 224 HG2 LYS 29 1HG LYS 29 9.582 -4.899 -3.873 225 HG3 LYS 29 2HG LYS 29 11.333 -4.902 -3.661 226 HD2 LYS 29 1HD LYS 29 10.843 -5.132 -6.000 227 HD3 LYS 29 2HD LYS 29 11.484 -6.665 -5.406 228 HE2 LYS 29 1HE LYS 29 9.227 -7.567 -5.254 229 HE3 LYS 29 2HE LYS 29 8.560 -6.026 -5.792 230 HZ1 LYS 29 3HZ LYS 29 10.352 -7.790 -7.377 231 HZ2 LYS 29 1HZ LYS 29 9.732 -6.299 -7.891 232 HZ3 LYS 29 2HZ LYS 29 8.684 -7.603 -7.615 233 H LEU 30 H LEU 30 9.625 -3.750 -1.200 234 HA LEU 30 HA LEU 30 6.860 -3.852 -0.563 235 HB2 LEU 30 1HB LEU 30 8.540 -1.529 -1.518 236 HB3 LEU 30 2HB LEU 30 6.938 -1.400 -0.818 237 HG LEU 30 HG LEU 30 9.391 -2.422 0.617 238 HD11 LEU 30 1HD1 LEU 30 9.503 -0.028 0.167 239 HD12 LEU 30 2HD1 LEU 30 9.252 -0.342 1.885 240 HD13 LEU 30 3HD1 LEU 30 7.904 0.188 0.880 241 HD21 LEU 30 3HD2 LEU 30 7.986 -2.339 2.613 242 HD22 LEU 30 1HD2 LEU 30 7.333 -3.460 1.420 243 HD23 LEU 30 2HD2 LEU 30 6.602 -1.869 1.626 244 HA PRO 31 HA PRO 31 5.694 -4.305 -4.855 245 HB2 PRO 31 1HB PRO 31 3.229 -5.236 -4.431 246 HB3 PRO 31 2HB PRO 31 4.651 -6.219 -4.061 247 HG2 PRO 31 1HG PRO 31 2.878 -4.682 -2.215 248 HG3 PRO 31 2HG PRO 31 3.636 -6.267 -1.982 249 HD2 PRO 31 1HD PRO 31 4.595 -3.856 -0.973 250 HD3 PRO 31 2HD PRO 31 5.544 -5.343 -1.158 251 H SER 32 H SER 32 3.540 -3.750 -6.054 252 HA SER 32 HA SER 32 2.723 -1.045 -5.251 253 HB2 SER 32 1HB SER 32 2.500 -2.404 -7.951 254 HB3 SER 32 2HB SER 32 2.088 -0.725 -7.595 255 HG SER 32 HG SER 32 4.614 -1.403 -6.790 256 H VAL 33 H VAL 33 0.696 -0.715 -4.603 257 HA VAL 33 HA VAL 33 -1.012 -3.043 -4.327 258 HB VAL 33 HB VAL 33 -2.335 -1.734 -2.805 259 HG11 VAL 33 1HG1 VAL 33 -0.639 -1.047 -1.147 260 HG12 VAL 33 2HG1 VAL 33 0.603 -1.210 -2.389 261 HG13 VAL 33 3HG1 VAL 33 -0.304 -2.626 -1.859 262 HG21 VAL 33 3HG2 VAL 33 -0.691 0.653 -3.644 263 HG22 VAL 33 1HG2 VAL 33 -1.900 0.633 -2.360 264 HG23 VAL 33 2HG2 VAL 33 -2.388 0.371 -4.035 265 H ARG 34 H ARG 34 -3.129 -3.178 -5.084 266 HA ARG 34 HA ARG 34 -3.947 -1.097 -6.991 267 HB2 ARG 34 1HB ARG 34 -4.198 -4.087 -7.359 268 HB3 ARG 34 2HB ARG 34 -5.002 -2.897 -8.371 269 HG2 ARG 34 1HG ARG 34 -2.754 -1.986 -8.959 270 HG3 ARG 34 2HG ARG 34 -2.043 -3.349 -8.091 271 HD2 ARG 34 1HD ARG 34 -2.156 -3.817 -10.474 272 HD3 ARG 34 2HD ARG 34 -3.221 -4.900 -9.578 273 HE ARG 34 HE ARG 34 -4.388 -2.486 -10.740 274 HH11 ARG 34 1HH1 ARG 34 -3.942 -5.953 -10.875 275 HH12 ARG 34 2HH1 ARG 34 -5.282 -6.212 -11.948 276 HH21 ARG 34 1HH2 ARG 34 -6.170 -2.822 -12.138 277 HH22 ARG 34 2HH2 ARG 34 -6.562 -4.439 -12.647 278 H VAL 35 H VAL 35 -5.430 -0.112 -5.777 279 HA VAL 35 HA VAL 35 -7.417 -1.769 -4.385 280 HB VAL 35 HB VAL 35 -7.928 0.270 -3.059 281 HG11 VAL 35 1HG1 VAL 35 -5.881 0.229 -1.701 282 HG12 VAL 35 2HG1 VAL 35 -5.039 -0.604 -3.008 283 HG13 VAL 35 3HG1 VAL 35 -6.385 -1.391 -2.183 284 HG21 VAL 35 3HG2 VAL 35 -6.372 2.167 -3.115 285 HG22 VAL 35 1HG2 VAL 35 -7.213 1.971 -4.654 286 HG23 VAL 35 2HG2 VAL 35 -5.538 1.439 -4.488 287 H LYS 36 H LYS 36 -9.527 -1.685 -4.978 288 HA LYS 36 HA LYS 36 -10.152 -0.153 -7.341 289 HB2 LYS 36 1HB LYS 36 -10.989 -2.538 -6.803 290 HB3 LYS 36 2HB LYS 36 -12.150 -1.740 -5.746 291 HG2 LYS 36 1HG LYS 36 -12.970 -0.437 -7.664 292 HG3 LYS 36 2HG LYS 36 -11.844 -1.299 -8.711 293 HD2 LYS 36 1HD LYS 36 -12.964 -3.427 -8.017 294 HD3 LYS 36 2HD LYS 36 -14.173 -2.446 -7.183 295 HE2 LYS 36 1HE LYS 36 -14.594 -1.283 -9.367 296 HE3 LYS 36 2HE LYS 36 -13.554 -2.482 -10.133 297 HZ1 LYS 36 3HZ LYS 36 -15.068 -4.212 -9.301 298 HZ2 LYS 36 1HZ LYS 36 -15.835 -3.130 -10.360 299 HZ3 LYS 36 2HZ LYS 36 -16.092 -3.007 -8.689 300 H THR 37 H THR 37 -11.404 1.623 -7.450 301 HA THR 37 HA THR 37 -12.365 2.729 -4.899 302 HB THR 37 HB THR 37 -11.747 4.994 -5.864 303 HG1 THR 37 HG1 THR 37 -11.090 3.474 -7.956 304 HG21 THR 37 3HG2 THR 37 -9.387 4.816 -5.198 305 HG22 THR 37 1HG2 THR 37 -9.504 3.057 -5.270 306 HG23 THR 37 2HG2 THR 37 -10.444 3.956 -4.078 307 H GLU 38 H GLU 38 -14.029 4.428 -5.210 308 HA GLU 38 HA GLU 38 -15.622 3.924 -7.633 309 HB2 GLU 38 1HB GLU 38 -16.538 2.845 -5.561 310 HB3 GLU 38 2HB GLU 38 -16.709 4.445 -4.858 311 HG2 GLU 38 1HG GLU 38 -17.990 3.996 -7.486 312 HG3 GLU 38 2HG GLU 38 -18.691 3.168 -6.098 313 H GLY 39 H GLY 39 -15.618 5.675 -8.834 314 HA2 GLY 39 1HA GLY 39 -16.716 8.051 -8.496 315 HA3 GLY 39 2HA GLY 39 -15.214 8.290 -7.611 316 H TYR 40 H TYR 40 -15.396 9.987 -9.523 317 HA TYR 40 HA TYR 40 -13.916 8.845 -11.799 318 HB2 TYR 40 1HB TYR 40 -15.752 11.249 -11.811 319 HB3 TYR 40 2HB TYR 40 -14.850 10.637 -13.194 320 HD1 TYR 40 HD2 TYR 40 -15.487 8.486 -14.231 321 HD2 TYR 40 HD1 TYR 40 -17.787 10.222 -11.103 322 HE1 TYR 40 HE2 TYR 40 -17.371 7.018 -14.810 323 HE2 TYR 40 HE1 TYR 40 -19.676 8.757 -11.673 324 HH TYR 40 HH TYR 40 -20.520 7.497 -13.544 325 H ASN 41 H ASN 41 -12.130 9.990 -12.553 326 HA ASN 41 HA ASN 41 -11.252 12.191 -10.829 327 HB2 ASN 41 1HB ASN 41 -8.893 11.139 -11.104 328 HB3 ASN 41 2HB ASN 41 -9.997 10.472 -9.910 329 HD21 ASN 41 2HD2 ASN 41 -8.969 8.497 -9.908 330 HD22 ASN 41 1HD2 ASN 41 -9.083 7.375 -11.220 331 HA PRO 42 HA PRO 42 -10.785 13.814 -15.088 332 HB2 PRO 42 1HB PRO 42 -10.823 16.308 -13.493 333 HB3 PRO 42 2HB PRO 42 -11.760 15.878 -14.928 334 HG2 PRO 42 1HG PRO 42 -12.899 15.981 -12.508 335 HG3 PRO 42 2HG PRO 42 -13.373 14.757 -13.702 336 HD2 PRO 42 1HD PRO 42 -11.607 14.484 -11.301 337 HD3 PRO 42 2HD PRO 42 -12.825 13.359 -11.939 338 H SER 43 H SER 43 -9.321 15.055 -12.095 339 HA SER 43 HA SER 43 -6.717 15.026 -13.456 340 HB2 SER 43 1HB SER 43 -7.570 16.774 -11.132 341 HB3 SER 43 2HB SER 43 -6.010 16.820 -11.956 342 HG SER 43 HG SER 43 -7.341 17.260 -13.914 343 H ILE 44 H ILE 44 -6.438 15.629 -10.159 344 HA ILE 44 HA ILE 44 -5.566 14.474 -8.424 345 HB ILE 44 HB ILE 44 -7.369 12.291 -9.467 346 HG12 ILE 44 1HG1 ILE 44 -7.824 14.382 -7.325 347 HG13 ILE 44 2HG1 ILE 44 -8.515 14.422 -8.944 348 HG21 ILE 44 1HG2 ILE 44 -5.694 11.388 -7.947 349 HG22 ILE 44 2HG2 ILE 44 -7.281 11.398 -7.176 350 HG23 ILE 44 3HG2 ILE 44 -6.088 12.626 -6.755 351 HD11 ILE 44 3HD1 ILE 44 -9.746 12.373 -8.468 352 HD12 ILE 44 1HD1 ILE 44 -10.130 13.646 -7.310 353 HD13 ILE 44 2HD1 ILE 44 -9.049 12.330 -6.849 354 H ASN 45 H ASN 45 -3.427 14.217 -8.758 355 HA ASN 45 HA ASN 45 -2.392 12.473 -10.771 356 HB2 ASN 45 1HB ASN 45 -1.212 14.526 -10.125 357 HB3 ASN 45 2HB ASN 45 -0.938 13.863 -8.516 358 HD21 ASN 45 2HD2 ASN 45 1.304 14.165 -8.909 359 HD22 ASN 45 1HD2 ASN 45 2.192 13.027 -9.868 360 H VAL 46 H VAL 46 -2.790 10.407 -10.529 361 HA VAL 46 HA VAL 46 -2.922 8.994 -8.098 362 HB VAL 46 HB VAL 46 -2.344 7.832 -10.831 363 HG11 VAL 46 1HG1 VAL 46 -2.054 6.256 -8.992 364 HG12 VAL 46 2HG1 VAL 46 -3.465 5.841 -9.965 365 HG13 VAL 46 3HG1 VAL 46 -3.674 6.632 -8.403 366 HG21 VAL 46 3HG2 VAL 46 -4.765 7.618 -11.099 367 HG22 VAL 46 1HG2 VAL 46 -4.283 9.307 -10.943 368 HG23 VAL 46 2HG2 VAL 46 -5.013 8.469 -9.574 369 H ASN 47 H ASN 47 -0.257 9.951 -10.065 370 HA ASN 47 HA ASN 47 1.555 7.950 -9.055 371 HB2 ASN 47 1HB ASN 47 2.038 10.444 -10.696 372 HB3 ASN 47 2HB ASN 47 3.303 9.303 -10.243 373 HD21 ASN 47 2HD2 ASN 47 2.399 10.039 -12.901 374 HD22 ASN 47 1HD2 ASN 47 1.851 8.568 -13.644 375 H GLU 48 H GLU 48 0.310 10.865 -7.883 376 HA GLU 48 HA GLU 48 2.572 11.247 -6.059 377 HB2 GLU 48 1HB GLU 48 1.491 13.231 -7.185 378 HB3 GLU 48 2HB GLU 48 0.045 12.896 -6.239 379 HG2 GLU 48 1HG GLU 48 1.395 13.160 -4.178 380 HG3 GLU 48 2HG GLU 48 2.766 13.629 -5.182 381 H LEU 49 H LEU 49 -0.613 9.957 -6.263 382 HA LEU 49 HA LEU 49 -1.136 9.764 -3.470 383 HB2 LEU 49 1HB LEU 49 -2.137 8.039 -5.741 384 HB3 LEU 49 2HB LEU 49 -2.794 8.062 -4.116 385 HG LEU 49 HG LEU 49 -2.833 10.388 -6.043 386 HD11 LEU 49 1HD1 LEU 49 -5.240 9.961 -6.154 387 HD12 LEU 49 2HD1 LEU 49 -5.030 8.530 -5.145 388 HD13 LEU 49 3HD1 LEU 49 -4.307 8.590 -6.752 389 HD21 LEU 49 3HD2 LEU 49 -4.318 11.430 -4.403 390 HD22 LEU 49 1HD2 LEU 49 -2.727 11.105 -3.712 391 HD23 LEU 49 2HD2 LEU 49 -4.090 10.056 -3.320 392 H PHE 50 H PHE 50 -0.459 8.285 -1.996 393 HA PHE 50 HA PHE 50 1.135 6.024 -2.987 394 HB2 PHE 50 1HB PHE 50 1.888 7.904 -0.744 395 HB3 PHE 50 2HB PHE 50 2.698 6.376 -1.059 396 HD1 PHE 50 HD2 PHE 50 3.394 6.149 -3.675 397 HD2 PHE 50 HD1 PHE 50 2.955 9.772 -1.490 398 HE1 PHE 50 HE2 PHE 50 4.907 7.277 -5.254 399 HE2 PHE 50 HE1 PHE 50 4.467 10.909 -3.063 400 HZ PHE 50 HZ PHE 50 5.445 9.660 -4.946 401 H ALA 51 H ALA 51 1.218 4.205 -1.700 402 HA ALA 51 HA ALA 51 -0.604 4.123 0.615 403 HB1 ALA 51 3HB ALA 51 0.221 1.874 -1.230 404 HB2 ALA 51 1HB ALA 51 -1.363 2.649 -1.179 405 HB3 ALA 51 2HB ALA 51 -0.800 1.705 0.199 406 H TYR 52 H TYR 52 0.254 3.234 2.537 407 HA TYR 52 HA TYR 52 3.120 2.606 2.406 408 HB2 TYR 52 1HB TYR 52 3.520 3.973 4.422 409 HB3 TYR 52 2HB TYR 52 2.986 4.940 3.052 410 HD1 TYR 52 HD2 TYR 52 2.009 3.559 6.324 411 HD2 TYR 52 HD1 TYR 52 0.915 6.146 3.129 412 HE1 TYR 52 HE2 TYR 52 0.231 4.521 7.720 413 HE2 TYR 52 HE1 TYR 52 -0.864 7.117 4.519 414 HH TYR 52 HH TYR 52 -2.212 6.558 6.441 415 H VAL 53 H VAL 53 3.962 1.469 4.196 416 HA VAL 53 HA VAL 53 1.935 0.254 5.946 417 HB VAL 53 HB VAL 53 3.743 -1.460 6.462 418 HG11 VAL 53 1HG1 VAL 53 1.835 -1.964 5.028 419 HG12 VAL 53 2HG1 VAL 53 3.289 -2.790 4.468 420 HG13 VAL 53 3HG1 VAL 53 2.716 -1.348 3.629 421 HG21 VAL 53 3HG2 VAL 53 5.672 -0.234 5.622 422 HG22 VAL 53 1HG2 VAL 53 5.004 -0.271 3.990 423 HG23 VAL 53 2HG2 VAL 53 5.501 -1.771 4.773 424 H ASP 54 H ASP 54 1.906 1.054 7.928 425 HA ASP 54 HA ASP 54 4.045 2.851 8.711 426 HB2 ASP 54 1HB ASP 54 1.645 3.492 8.984 427 HB3 ASP 54 2HB ASP 54 1.484 2.217 10.187 428 H LEU 55 H LEU 55 5.766 1.861 9.484 429 HA LEU 55 HA LEU 55 5.445 -0.596 10.990 430 HB2 LEU 55 1HB LEU 55 7.974 0.809 10.135 431 HB3 LEU 55 2HB LEU 55 7.873 -0.793 10.840 432 HG LEU 55 HG LEU 55 6.899 0.071 8.121 433 HD11 LEU 55 1HD1 LEU 55 9.280 -0.358 8.258 434 HD12 LEU 55 2HD1 LEU 55 8.477 -1.634 7.341 435 HD13 LEU 55 3HD1 LEU 55 8.974 -1.924 9.009 436 HD21 LEU 55 3HD2 LEU 55 6.166 -2.245 7.806 437 HD22 LEU 55 1HD2 LEU 55 5.256 -1.437 9.084 438 HD23 LEU 55 2HD2 LEU 55 6.530 -2.585 9.499 439 H SER 56 H SER 56 4.383 0.583 12.758 440 HA SER 56 HA SER 56 6.141 2.043 14.537 441 HB2 SER 56 1HB SER 56 3.302 1.037 14.861 442 HB3 SER 56 2HB SER 56 4.169 1.950 16.096 443 HG SER 56 HG SER 56 3.374 2.806 13.501 444 H GLY 57 H GLY 57 6.196 -0.974 13.633 445 HA2 GLY 57 1HA GLY 57 6.800 -2.036 16.315 446 HA3 GLY 57 2HA GLY 57 6.331 -3.028 14.937 447 H SER 58 H SER 58 8.905 -1.730 16.683 448 HA SER 58 HA SER 58 10.831 -1.834 14.515 449 HB2 SER 58 1HB SER 58 11.321 -1.449 17.475 450 HB3 SER 58 2HB SER 58 12.441 -1.094 16.160 451 HG SER 58 HG SER 58 9.945 0.184 16.634 452 H GLU 59 H GLU 59 9.286 -4.170 15.920 453 HA GLU 59 HA GLU 59 11.409 -5.850 16.867 454 HB2 GLU 59 1HB GLU 59 9.598 -7.572 17.003 455 HB3 GLU 59 2HB GLU 59 9.273 -6.101 17.906 456 HG2 GLU 59 1HG GLU 59 7.949 -5.355 15.844 457 HG3 GLU 59 2HG GLU 59 8.030 -7.045 15.351 458 HA PRO 60 HA PRO 60 12.436 -7.186 12.752 459 HB2 PRO 60 1HB PRO 60 14.505 -8.774 13.427 460 HB3 PRO 60 2HB PRO 60 14.621 -7.011 13.469 461 HG2 PRO 60 1HG PRO 60 14.178 -8.935 15.715 462 HG3 PRO 60 2HG PRO 60 15.211 -7.495 15.660 463 HD2 PRO 60 1HD PRO 60 12.731 -7.542 16.812 464 HD3 PRO 60 2HD PRO 60 13.472 -6.081 16.129 465 H GLY 61 H GLY 61 12.955 -9.393 11.737 466 HA2 GLY 61 1HA GLY 61 12.511 -11.741 11.684 467 HA3 GLY 61 2HA GLY 61 11.358 -11.520 12.996 468 H GLU 62 H GLU 62 9.820 -12.695 11.667 469 HA GLU 62 HA GLU 62 8.906 -11.202 9.315 470 HB2 GLU 62 1HB GLU 62 9.418 -13.665 9.131 471 HB3 GLU 62 2HB GLU 62 8.061 -13.964 10.208 472 HG2 GLU 62 1HG GLU 62 6.527 -13.033 8.616 473 HG3 GLU 62 2HG GLU 62 7.855 -12.557 7.560 474 H HIS 63 H HIS 63 7.464 -9.689 9.835 475 HA HIS 63 HA HIS 63 5.214 -10.478 11.557 476 HB2 HIS 63 1HB HIS 63 6.766 -7.889 11.739 477 HB3 HIS 63 2HB HIS 63 5.191 -8.136 12.482 478 HD1 HIS 63 HD1 HIS 63 5.099 -9.902 14.470 479 HD2 HIS 63 HD2 HIS 63 8.910 -8.887 13.144 480 HE1 HIS 63 HE1 HIS 63 6.674 -10.704 16.254 481 HE2 HIS 63 HE2 HIS 63 8.947 -9.895 15.530 482 H ASP 64 H ASP 64 3.239 -9.588 11.019 483 HA ASP 64 HA ASP 64 3.149 -8.574 8.282 484 HB2 ASP 64 1HB ASP 64 0.769 -9.160 8.318 485 HB3 ASP 64 2HB ASP 64 1.768 -10.536 8.770 486 H TYR 65 H TYR 65 2.231 -6.698 7.684 487 HA TYR 65 HA TYR 65 1.203 -4.940 9.793 488 HB2 TYR 65 1HB TYR 65 3.326 -4.236 7.760 489 HB3 TYR 65 2HB TYR 65 2.444 -3.036 8.700 490 HD1 TYR 65 HD2 TYR 65 2.725 -2.945 11.165 491 HD2 TYR 65 HD1 TYR 65 5.102 -5.507 8.737 492 HE1 TYR 65 HE2 TYR 65 4.322 -3.205 13.013 493 HE2 TYR 65 HE1 TYR 65 6.705 -5.777 10.583 494 HH TYR 65 HH TYR 65 7.397 -4.535 12.628 495 H GLU 66 H GLU 66 0.122 -2.974 8.788 496 HA GLU 66 HA GLU 66 -1.758 -4.105 6.862 497 HB2 GLU 66 1HB GLU 66 -1.955 -1.625 8.575 498 HB3 GLU 66 2HB GLU 66 -3.245 -2.299 7.590 499 HG2 GLU 66 1HG GLU 66 -3.438 -4.199 8.971 500 HG3 GLU 66 2HG GLU 66 -1.931 -3.830 9.808 501 H VAL 67 H VAL 67 -2.147 -3.265 4.880 502 HA VAL 67 HA VAL 67 -0.427 -1.185 3.866 503 HB VAL 67 HB VAL 67 -2.790 -2.559 2.559 504 HG11 VAL 67 1HG1 VAL 67 -0.647 -0.805 1.360 505 HG12 VAL 67 2HG1 VAL 67 -2.345 -0.376 1.564 506 HG13 VAL 67 3HG1 VAL 67 -1.890 -1.673 0.458 507 HG21 VAL 67 3HG2 VAL 67 -1.104 -3.851 1.346 508 HG22 VAL 67 1HG2 VAL 67 -0.968 -4.101 3.086 509 HG23 VAL 67 2HG2 VAL 67 0.173 -3.044 2.256 510 H LYS 68 H LYS 68 -0.804 0.836 4.439 511 HA LYS 68 HA LYS 68 -3.590 1.700 4.840 512 HB2 LYS 68 1HB LYS 68 -1.124 3.105 5.865 513 HB3 LYS 68 2HB LYS 68 -2.788 3.312 6.396 514 HG2 LYS 68 1HG LYS 68 -2.779 1.107 7.395 515 HG3 LYS 68 2HG LYS 68 -1.145 0.818 6.796 516 HD2 LYS 68 1HD LYS 68 -0.890 1.426 9.057 517 HD3 LYS 68 2HD LYS 68 -0.447 2.862 8.129 518 HE2 LYS 68 1HE LYS 68 -2.632 3.832 8.538 519 HE3 LYS 68 2HE LYS 68 -3.152 2.369 9.375 520 HZ1 LYS 68 3HZ LYS 68 -2.566 3.789 11.087 521 HZ2 LYS 68 1HZ LYS 68 -1.218 4.419 10.265 522 HZ3 LYS 68 2HZ LYS 68 -1.168 2.852 10.907 523 H VAL 69 H VAL 69 -4.361 2.810 3.178 524 HA VAL 69 HA VAL 69 -2.520 4.209 1.389 525 HB VAL 69 HB VAL 69 -5.510 3.840 1.111 526 HG11 VAL 69 1HG1 VAL 69 -3.406 4.618 -0.905 527 HG12 VAL 69 2HG1 VAL 69 -4.633 5.681 -0.214 528 HG13 VAL 69 3HG1 VAL 69 -5.112 4.341 -1.256 529 HG21 VAL 69 3HG2 VAL 69 -4.976 2.021 -0.452 530 HG22 VAL 69 1HG2 VAL 69 -4.415 1.669 1.183 531 HG23 VAL 69 2HG2 VAL 69 -3.267 2.189 -0.051 532 H GLU 70 H GLU 70 -2.464 6.412 1.143 533 HA GLU 70 HA GLU 70 -3.553 8.079 3.159 534 HB2 GLU 70 1HB GLU 70 -2.302 8.681 0.480 535 HB3 GLU 70 2HB GLU 70 -2.841 9.943 1.580 536 HG2 GLU 70 1HG GLU 70 -0.844 7.825 2.332 537 HG3 GLU 70 2HG GLU 70 -0.402 9.404 1.680 538 HA PRO 71 HA PRO 71 -7.733 8.355 1.856 539 HB2 PRO 71 1HB PRO 71 -8.250 10.900 2.838 540 HB3 PRO 71 2HB PRO 71 -8.339 9.407 3.775 541 HG2 PRO 71 1HG PRO 71 -6.141 11.420 3.617 542 HG3 PRO 71 2HG PRO 71 -6.730 10.507 5.018 543 HD2 PRO 71 1HD PRO 71 -4.459 9.839 3.759 544 HD3 PRO 71 2HD PRO 71 -5.546 8.603 4.430 545 H ILE 72 H ILE 72 -8.114 8.576 -0.240 546 HA ILE 72 HA ILE 72 -7.089 10.812 -1.757 547 HB ILE 72 HB ILE 72 -8.968 8.642 -2.718 548 HG12 ILE 72 1HG1 ILE 72 -6.675 7.849 -3.787 549 HG13 ILE 72 2HG1 ILE 72 -5.998 8.663 -2.381 550 HG21 ILE 72 1HG2 ILE 72 -7.135 10.514 -4.208 551 HG22 ILE 72 2HG2 ILE 72 -8.897 10.597 -4.151 552 HG23 ILE 72 3HG2 ILE 72 -8.104 9.232 -4.936 553 HD11 ILE 72 3HD1 ILE 72 -7.342 7.242 -0.917 554 HD12 ILE 72 1HD1 ILE 72 -6.286 6.294 -1.965 555 HD13 ILE 72 2HD1 ILE 72 -8.007 6.423 -2.330 556 HA PRO 73 HA PRO 73 -10.854 13.163 -1.064 557 HB2 PRO 73 1HB PRO 73 -10.146 15.291 -2.595 558 HB3 PRO 73 2HB PRO 73 -9.525 15.039 -0.961 559 HG2 PRO 73 1HG PRO 73 -8.232 14.444 -3.591 560 HG3 PRO 73 2HG PRO 73 -7.523 15.156 -2.130 561 HD2 PRO 73 1HD PRO 73 -7.195 12.548 -2.803 562 HD3 PRO 73 2HD PRO 73 -7.236 13.110 -1.120 563 H ASN 74 H ASN 74 -12.728 13.343 -2.191 564 HA ASN 74 HA ASN 74 -14.243 13.382 -3.879 565 HB2 ASN 74 1HB ASN 74 -12.806 14.919 -5.086 566 HB3 ASN 74 2HB ASN 74 -11.818 13.589 -5.677 567 HD21 ASN 74 2HD2 ASN 74 -12.516 12.389 -7.400 568 HD22 ASN 74 1HD2 ASN 74 -13.894 12.809 -8.351 569 H ILE 75 H ILE 75 -11.707 11.046 -3.845 570 HA ILE 75 HA ILE 75 -13.357 9.182 -5.412 571 HB ILE 75 HB ILE 75 -10.411 9.051 -4.746 572 HG12 ILE 75 1HG1 ILE 75 -10.972 10.744 -6.438 573 HG13 ILE 75 2HG1 ILE 75 -10.074 9.407 -7.147 574 HG21 ILE 75 1HG2 ILE 75 -12.101 7.185 -6.404 575 HG22 ILE 75 2HG2 ILE 75 -11.376 6.826 -4.837 576 HG23 ILE 75 3HG2 ILE 75 -10.346 7.110 -6.240 577 HD11 ILE 75 3HD1 ILE 75 -12.116 8.493 -8.067 578 HD12 ILE 75 1HD1 ILE 75 -11.905 10.168 -8.576 579 HD13 ILE 75 2HD1 ILE 75 -13.057 9.772 -7.299 580 H LYS 76 H LYS 76 -14.361 7.591 -4.380 581 HA LYS 76 HA LYS 76 -13.844 7.152 -1.550 582 HB2 LYS 76 1HB LYS 76 -16.158 7.348 -2.261 583 HB3 LYS 76 2HB LYS 76 -15.945 6.057 -3.432 584 HG2 LYS 76 1HG LYS 76 -15.546 4.479 -1.577 585 HG3 LYS 76 2HG LYS 76 -15.861 5.788 -0.434 586 HD2 LYS 76 1HD LYS 76 -18.114 6.037 -1.296 587 HD3 LYS 76 2HD LYS 76 -17.805 4.808 -2.522 588 HE2 LYS 76 1HE LYS 76 -19.074 3.863 -0.690 589 HE3 LYS 76 2HE LYS 76 -17.466 3.146 -0.749 590 HZ1 LYS 76 3HZ LYS 76 -18.205 3.716 1.514 591 HZ2 LYS 76 1HZ LYS 76 -18.252 5.356 1.078 592 HZ3 LYS 76 2HZ LYS 76 -16.778 4.517 1.073 593 H ILE 77 H ILE 77 -12.605 5.524 -0.806 594 HA ILE 77 HA ILE 77 -11.513 3.606 -2.661 595 HB ILE 77 HB ILE 77 -10.104 4.567 -0.876 596 HG12 ILE 77 1HG1 ILE 77 -10.485 1.580 -0.563 597 HG13 ILE 77 2HG1 ILE 77 -9.577 2.349 -1.861 598 HG21 ILE 77 1HG2 ILE 77 -11.752 4.769 0.886 599 HG22 ILE 77 2HG2 ILE 77 -10.377 3.815 1.447 600 HG23 ILE 77 3HG2 ILE 77 -11.881 3.013 0.995 601 HD11 ILE 77 3HD1 ILE 77 -8.916 2.475 1.072 602 HD12 ILE 77 1HD1 ILE 77 -8.008 3.254 -0.224 603 HD13 ILE 77 2HD1 ILE 77 -8.096 1.495 -0.143 604 H VAL 78 H VAL 78 -12.046 1.473 -2.858 605 HA VAL 78 HA VAL 78 -14.458 0.622 -1.400 606 HB VAL 78 HB VAL 78 -13.295 -0.542 -3.935 607 HG11 VAL 78 1HG1 VAL 78 -14.636 -2.140 -2.726 608 HG12 VAL 78 2HG1 VAL 78 -15.511 -1.601 -4.160 609 HG13 VAL 78 3HG1 VAL 78 -15.948 -0.972 -2.571 610 HG21 VAL 78 3HG2 VAL 78 -15.152 0.599 -5.087 611 HG22 VAL 78 1HG2 VAL 78 -13.994 1.717 -4.367 612 HG23 VAL 78 2HG2 VAL 78 -15.548 1.427 -3.581 613 H GLU 79 H GLU 79 -11.567 -0.882 -2.821 614 HA GLU 79 HA GLU 79 -11.613 -2.826 -0.611 615 HB2 GLU 79 1HB GLU 79 -12.448 -3.854 -2.667 616 HB3 GLU 79 2HB GLU 79 -11.011 -3.329 -3.532 617 HG2 GLU 79 1HG GLU 79 -9.641 -4.755 -2.062 618 HG3 GLU 79 2HG GLU 79 -11.117 -5.328 -1.284 619 H ILE 80 H ILE 80 -9.706 -3.270 0.346 620 HA ILE 80 HA ILE 80 -7.336 -1.859 -0.666 621 HB ILE 80 HB ILE 80 -7.797 -3.071 2.071 622 HG12 ILE 80 1HG1 ILE 80 -7.861 -0.166 1.215 623 HG13 ILE 80 2HG1 ILE 80 -9.278 -1.137 1.601 624 HG21 ILE 80 1HG2 ILE 80 -5.442 -2.979 1.433 625 HG22 ILE 80 2HG2 ILE 80 -5.793 -1.822 2.717 626 HG23 ILE 80 3HG2 ILE 80 -5.604 -1.264 1.055 627 HD11 ILE 80 3HD1 ILE 80 -8.678 0.297 3.454 628 HD12 ILE 80 1HD1 ILE 80 -7.060 -0.401 3.496 629 HD13 ILE 80 2HD1 ILE 80 -8.461 -1.397 3.892 630 H SER 81 H SER 81 -6.165 -3.131 -1.956 631 HA SER 81 HA SER 81 -5.379 -5.748 -0.942 632 HB2 SER 81 1HB SER 81 -5.656 -6.689 -3.284 633 HB3 SER 81 2HB SER 81 -7.153 -6.373 -2.406 634 HG SER 81 HG SER 81 -6.026 -4.451 -4.154 635 HA PRO 82 HA PRO 82 -3.775 -7.130 -0.947 636 HB2 PRO 82 1HB PRO 82 -1.519 -6.948 0.565 637 HB3 PRO 82 2HB PRO 82 -1.555 -7.677 -1.045 638 HG2 PRO 82 1HG PRO 82 -0.705 -4.923 -0.231 639 HG3 PRO 82 2HG PRO 82 0.068 -6.042 -1.371 640 HD2 PRO 82 1HD PRO 82 -1.469 -3.984 -2.198 641 HD3 PRO 82 2HD PRO 82 -1.412 -5.530 -3.071 642 H ARG 83 H ARG 83 -4.153 -7.516 1.300 643 HA ARG 83 HA ARG 83 -5.200 -5.170 2.661 644 HB2 ARG 83 1HB ARG 83 -5.384 -8.140 3.143 645 HB3 ARG 83 2HB ARG 83 -5.971 -6.975 4.320 646 HG2 ARG 83 1HG ARG 83 -7.691 -6.260 2.946 647 HG3 ARG 83 2HG ARG 83 -6.909 -6.864 1.484 648 HD2 ARG 83 1HD ARG 83 -7.784 -8.734 3.656 649 HD3 ARG 83 2HD ARG 83 -8.923 -8.161 2.437 650 HE ARG 83 HE ARG 83 -7.412 -9.139 0.752 651 HH11 ARG 83 1HH1 ARG 83 -7.173 -10.280 4.058 652 HH12 ARG 83 2HH1 ARG 83 -6.525 -11.828 3.613 653 HH21 ARG 83 1HH2 ARG 83 -6.572 -11.183 0.160 654 HH22 ARG 83 2HH2 ARG 83 -6.221 -12.353 1.398 655 H VAL 84 H VAL 84 -3.438 -8.000 3.860 656 HA VAL 84 HA VAL 84 -1.768 -6.202 5.493 657 HB VAL 84 HB VAL 84 -2.746 -8.976 6.222 658 HG11 VAL 84 1HG1 VAL 84 -0.518 -8.531 7.104 659 HG12 VAL 84 2HG1 VAL 84 -1.713 -8.555 8.400 660 HG13 VAL 84 3HG1 VAL 84 -1.089 -7.017 7.805 661 HG21 VAL 84 3HG2 VAL 84 -4.020 -7.842 7.989 662 HG22 VAL 84 1HG2 VAL 84 -4.532 -7.334 6.379 663 HG23 VAL 84 2HG2 VAL 84 -3.502 -6.281 7.351 664 H VAL 85 H VAL 85 0.379 -6.442 5.221 665 HA VAL 85 HA VAL 85 1.257 -8.707 3.558 666 HB VAL 85 HB VAL 85 3.211 -7.279 2.933 667 HG11 VAL 85 1HG1 VAL 85 1.979 -5.895 1.339 668 HG12 VAL 85 2HG1 VAL 85 0.495 -6.153 2.257 669 HG13 VAL 85 3HG1 VAL 85 1.283 -7.512 1.455 670 HG21 VAL 85 3HG2 VAL 85 1.624 -5.112 4.310 671 HG22 VAL 85 1HG2 VAL 85 3.039 -4.851 3.290 672 HG23 VAL 85 2HG2 VAL 85 3.198 -5.733 4.807 673 H THR 86 H THR 86 2.826 -10.025 4.253 674 HA THR 86 HA THR 86 3.764 -9.632 6.990 675 HB THR 86 HB THR 86 4.158 -12.053 5.225 676 HG1 THR 86 HG1 THR 86 1.879 -11.392 5.777 677 HG21 THR 86 3HG2 THR 86 4.302 -11.697 8.221 678 HG22 THR 86 1HG2 THR 86 5.681 -11.898 7.139 679 HG23 THR 86 2HG2 THR 86 4.524 -13.213 7.346 680 H LEU 87 H LEU 87 5.618 -8.588 7.273 681 HA LEU 87 HA LEU 87 7.559 -8.575 5.064 682 HB2 LEU 87 1HB LEU 87 7.213 -6.603 7.324 683 HB3 LEU 87 2HB LEU 87 8.371 -6.467 6.016 684 HG LEU 87 HG LEU 87 5.367 -6.385 5.700 685 HD11 LEU 87 1HD1 LEU 87 7.435 -4.195 5.555 686 HD12 LEU 87 2HD1 LEU 87 6.222 -4.403 6.819 687 HD13 LEU 87 3HD1 LEU 87 5.723 -4.019 5.171 688 HD21 LEU 87 3HD2 LEU 87 7.574 -5.931 3.692 689 HD22 LEU 87 1HD2 LEU 87 5.846 -5.726 3.397 690 HD23 LEU 87 2HD2 LEU 87 6.498 -7.328 3.747 691 H GLN 88 H GLN 88 9.606 -9.190 5.356 692 HA GLN 88 HA GLN 88 10.405 -10.256 7.959 693 HB2 GLN 88 1HB GLN 88 10.781 -11.680 6.021 694 HB3 GLN 88 2HB GLN 88 11.694 -10.408 5.226 695 HG2 GLN 88 1HG GLN 88 13.243 -11.995 6.058 696 HG3 GLN 88 2HG GLN 88 13.367 -10.557 7.066 697 HE21 GLN 88 2HE2 GLN 88 14.269 -11.694 8.752 698 HE22 GLN 88 1HE2 GLN 88 13.361 -12.787 9.735 699 H LEU 89 H LEU 89 11.258 -8.817 9.309 700 HA LEU 89 HA LEU 89 12.887 -6.626 8.233 701 HB2 LEU 89 1HB LEU 89 11.603 -7.035 10.929 702 HB3 LEU 89 2HB LEU 89 12.708 -5.721 10.578 703 HG LEU 89 HG LEU 89 10.050 -6.175 9.234 704 HD11 LEU 89 1HD1 LEU 89 9.817 -5.464 11.555 705 HD12 LEU 89 2HD1 LEU 89 9.360 -4.165 10.454 706 HD13 LEU 89 3HD1 LEU 89 10.926 -4.122 11.267 707 HD21 LEU 89 3HD2 LEU 89 10.430 -3.966 8.245 708 HD22 LEU 89 1HD2 LEU 89 11.661 -5.124 7.742 709 HD23 LEU 89 2HD2 LEU 89 12.035 -3.920 8.974 710 H GLU 90 H GLU 90 15.000 -6.635 8.432 711 HA GLU 90 HA GLU 90 16.203 -8.204 10.620 712 HB2 GLU 90 1HB GLU 90 17.381 -7.545 7.913 713 HB3 GLU 90 2HB GLU 90 18.277 -8.287 9.231 714 HG2 GLU 90 1HG GLU 90 16.394 -10.080 9.137 715 HG3 GLU 90 2HG GLU 90 16.130 -9.441 7.514 716 H HIS 91 H HIS 91 18.552 -7.236 11.015 717 HA HIS 91 HA HIS 91 18.142 -4.374 11.495 718 HB2 HIS 91 1HB HIS 91 20.034 -6.394 12.685 719 HB3 HIS 91 2HB HIS 91 20.238 -4.663 12.936 720 HD1 HIS 91 HD1 HIS 91 19.149 -7.288 14.818 721 HD2 HIS 91 HD2 HIS 91 17.298 -3.727 13.720 722 HE1 HIS 91 HE1 HIS 91 17.345 -6.903 16.533 723 HE2 HIS 91 HE2 HIS 91 16.316 -4.679 15.917 724 H HIS 92 H HIS 92 19.770 -2.854 10.996 725 HA HIS 92 HA HIS 92 20.910 -3.221 8.426 726 HB2 HIS 92 1HB HIS 92 20.140 -1.034 9.434 727 HB3 HIS 92 2HB HIS 92 21.589 -1.057 10.428 728 HD1 HIS 92 HD1 HIS 92 20.347 -0.138 7.088 729 HD2 HIS 92 HD2 HIS 92 24.029 -0.739 8.935 730 HE1 HIS 92 HE1 HIS 92 22.049 0.940 5.583 731 HE2 HIS 92 HE2 HIS 92 24.228 0.766 6.843 732 H HIS 93 H HIS 93 22.130 -3.529 11.687 733 HA HIS 93 HA HIS 93 24.872 -3.905 10.770 734 HB2 HIS 93 1HB HIS 93 23.621 -3.990 13.520 735 HB3 HIS 93 2HB HIS 93 25.314 -4.354 13.220 736 HD1 HIS 93 HD1 HIS 93 26.695 -2.449 13.899 737 HD2 HIS 93 HD2 HIS 93 23.110 -1.211 12.187 738 HE1 HIS 93 HE1 HIS 93 26.759 0.063 13.921 739 HE2 HIS 93 HE2 HIS 93 24.509 0.785 13.061 740 H HIS 94 H HIS 94 24.431 -5.786 9.447 741 HA HIS 94 HA HIS 94 25.011 -8.177 10.863 742 HB2 HIS 94 1HB HIS 94 23.067 -9.413 10.731 743 HB3 HIS 94 2HB HIS 94 22.396 -7.817 11.021 744 HD1 HIS 94 HD1 HIS 94 21.833 -6.544 8.529 745 HD2 HIS 94 HD2 HIS 94 21.750 -10.687 8.778 746 HE1 HIS 94 HE1 HIS 94 20.492 -7.307 6.557 747 HE2 HIS 94 HE2 HIS 94 20.170 -9.776 6.936 748 H HIS 95 H HIS 95 25.649 -9.873 9.482 749 HA HIS 95 HA HIS 95 25.601 -9.229 6.608 750 HB2 HIS 95 1HB HIS 95 27.897 -8.967 7.489 751 HB3 HIS 95 2HB HIS 95 27.845 -10.618 8.103 752 HD1 HIS 95 HD1 HIS 95 28.429 -8.636 5.027 753 HD2 HIS 95 HD2 HIS 95 27.938 -12.633 6.070 754 HE1 HIS 95 HE1 HIS 95 29.133 -9.958 3.009 755 HE2 HIS 95 HE2 HIS 95 28.548 -12.341 3.573 756 H HIS 96 H HIS 96 24.498 -10.677 5.487 757 HA HIS 96 HA HIS 96 24.661 -13.484 6.274 758 HB2 HIS 96 1HB HIS 96 22.545 -12.574 7.223 759 HB3 HIS 96 2HB HIS 96 22.047 -12.109 5.599 760 HD1 HIS 96 HD1 HIS 96 21.251 -13.973 4.023 761 HD2 HIS 96 HD2 HIS 96 22.418 -15.331 7.770 762 HE1 HIS 96 HE1 HIS 96 20.418 -16.339 4.170 763 HE2 HIS 96 HE2 HIS 96 21.337 -17.209 6.352 Start of MODEL 14 1 H1 SER 1 1H SER 1 -21.302 2.262 -23.636 2 H2 SER 1 2H SER 1 -19.981 3.100 -22.985 3 H3 SER 1 3H SER 1 -21.558 3.511 -22.521 4 HA SER 1 HA SER 1 -20.416 2.239 -20.815 5 HB2 SER 1 1HB SER 1 -22.671 0.703 -22.135 6 HB3 SER 1 2HB SER 1 -22.216 0.646 -20.430 7 HG SER 1 HG SER 1 -23.782 2.437 -21.749 8 H SER 2 H SER 2 -19.872 -0.026 -20.157 9 HA SER 2 HA SER 2 -19.114 -1.897 -22.198 10 HB2 SER 2 1HB SER 2 -16.665 -1.838 -21.227 11 HB3 SER 2 2HB SER 2 -17.138 -0.719 -22.506 12 HG SER 2 HG SER 2 -16.641 -0.233 -19.790 13 H GLN 3 H GLN 3 -17.442 -3.542 -20.824 14 HA GLN 3 HA GLN 3 -19.116 -4.799 -18.945 15 HB2 GLN 3 1HB GLN 3 -16.122 -5.116 -19.252 16 HB3 GLN 3 2HB GLN 3 -17.212 -6.252 -18.471 17 HG2 GLN 3 1HG GLN 3 -18.346 -6.617 -20.616 18 HG3 GLN 3 2HG GLN 3 -17.206 -5.516 -21.387 19 HE21 GLN 3 2HE2 GLN 3 -17.709 -8.322 -21.927 20 HE22 GLN 3 1HE2 GLN 3 -16.188 -9.134 -21.714 21 H THR 4 H THR 4 -16.006 -3.147 -18.404 22 HA THR 4 HA THR 4 -16.858 -2.476 -15.686 23 HB THR 4 HB THR 4 -14.227 -1.890 -17.075 24 HG1 THR 4 HG1 THR 4 -15.216 -4.159 -15.916 25 HG21 THR 4 3HG2 THR 4 -14.729 -0.365 -15.211 26 HG22 THR 4 1HG2 THR 4 -13.384 -1.439 -14.826 27 HG23 THR 4 2HG2 THR 4 -14.983 -1.752 -14.152 28 H LEU 5 H LEU 5 -17.737 -0.544 -15.251 29 HA LEU 5 HA LEU 5 -18.265 1.240 -17.426 30 HB2 LEU 5 1HB LEU 5 -18.891 1.483 -14.484 31 HB3 LEU 5 2HB LEU 5 -19.491 2.563 -15.729 32 HG LEU 5 HG LEU 5 -20.099 -0.389 -15.525 33 HD11 LEU 5 1HD1 LEU 5 -21.826 2.025 -15.000 34 HD12 LEU 5 2HD1 LEU 5 -21.214 0.896 -13.790 35 HD13 LEU 5 3HD1 LEU 5 -22.374 0.349 -15.002 36 HD21 LEU 5 3HD2 LEU 5 -20.024 0.393 -17.841 37 HD22 LEU 5 1HD2 LEU 5 -21.149 1.691 -17.440 38 HD23 LEU 5 2HD2 LEU 5 -21.671 0.009 -17.342 39 H ASP 6 H ASP 6 -17.954 3.621 -17.183 40 HA ASP 6 HA ASP 6 -15.123 4.066 -16.929 41 HB2 ASP 6 1HB ASP 6 -15.606 6.276 -17.871 42 HB3 ASP 6 2HB ASP 6 -16.394 5.010 -18.808 43 H ARG 7 H ARG 7 -17.383 3.978 -14.639 44 HA ARG 7 HA ARG 7 -16.319 6.310 -13.200 45 HB2 ARG 7 1HB ARG 7 -18.692 5.417 -11.935 46 HB3 ARG 7 2HB ARG 7 -18.414 6.928 -12.787 47 HG2 ARG 7 1HG ARG 7 -18.956 5.632 -14.917 48 HG3 ARG 7 2HG ARG 7 -19.575 4.375 -13.844 49 HD2 ARG 7 1HD ARG 7 -21.403 5.778 -14.511 50 HD3 ARG 7 2HD ARG 7 -21.063 6.075 -12.806 51 HE ARG 7 HE ARG 7 -19.726 7.881 -14.619 52 HH11 ARG 7 1HH1 ARG 7 -22.652 7.308 -12.759 53 HH12 ARG 7 2HH1 ARG 7 -23.076 8.997 -12.702 54 HH21 ARG 7 1HH2 ARG 7 -20.296 10.074 -14.539 55 HH22 ARG 7 2HH2 ARG 7 -21.747 10.559 -13.719 56 H ASP 8 H ASP 8 -15.598 3.294 -13.413 57 HA ASP 8 HA ASP 8 -15.183 2.965 -10.509 58 HB2 ASP 8 1HB ASP 8 -15.437 0.721 -12.532 59 HB3 ASP 8 2HB ASP 8 -15.184 0.539 -10.803 60 HA PRO 9 HA PRO 9 -11.059 3.218 -12.604 61 HB2 PRO 9 1HB PRO 9 -10.303 4.931 -10.373 62 HB3 PRO 9 2HB PRO 9 -10.303 5.292 -12.100 63 HG2 PRO 9 1HG PRO 9 -12.042 6.440 -10.371 64 HG3 PRO 9 2HG PRO 9 -12.451 6.108 -12.064 65 HD2 PRO 9 1HD PRO 9 -13.154 4.545 -9.603 66 HD3 PRO 9 2HD PRO 9 -14.176 4.974 -10.995 67 H THR 10 H THR 10 -9.642 1.664 -12.205 68 HA THR 10 HA THR 10 -9.334 0.675 -9.452 69 HB THR 10 HB THR 10 -8.431 -0.613 -12.041 70 HG1 THR 10 HG1 THR 10 -10.834 -0.371 -11.397 71 HG21 THR 10 3HG2 THR 10 -8.619 -1.724 -9.236 72 HG22 THR 10 1HG2 THR 10 -7.124 -1.295 -10.072 73 HG23 THR 10 2HG2 THR 10 -8.126 -2.617 -10.675 74 H LEU 11 H LEU 11 -7.698 1.565 -8.379 75 HA LEU 11 HA LEU 11 -5.572 2.870 -9.894 76 HB2 LEU 11 1HB LEU 11 -6.256 3.007 -6.960 77 HB3 LEU 11 2HB LEU 11 -5.014 3.951 -7.758 78 HG LEU 11 HG LEU 11 -7.981 4.128 -8.269 79 HD11 LEU 11 1HD1 LEU 11 -7.759 6.366 -7.307 80 HD12 LEU 11 2HD1 LEU 11 -6.058 6.052 -6.969 81 HD13 LEU 11 3HD1 LEU 11 -7.307 5.116 -6.148 82 HD21 LEU 11 3HD2 LEU 11 -6.707 4.503 -10.312 83 HD22 LEU 11 1HD2 LEU 11 -5.698 5.685 -9.479 84 HD23 LEU 11 2HD2 LEU 11 -7.414 6.010 -9.728 85 H THR 12 H THR 12 -3.426 2.510 -9.588 86 HA THR 12 HA THR 12 -2.675 0.167 -7.970 87 HB THR 12 HB THR 12 -1.225 1.090 -10.455 88 HG1 THR 12 HG1 THR 12 -3.286 0.435 -11.114 89 HG21 THR 12 3HG2 THR 12 0.076 -0.287 -8.920 90 HG22 THR 12 1HG2 THR 12 -0.293 -1.187 -10.391 91 HG23 THR 12 2HG2 THR 12 -1.197 -1.506 -8.910 92 H LEU 13 H LEU 13 -1.923 1.169 -6.157 93 HA LEU 13 HA LEU 13 -0.184 3.516 -6.459 94 HB2 LEU 13 1HB LEU 13 -1.401 2.389 -3.936 95 HB3 LEU 13 2HB LEU 13 -0.597 3.936 -4.115 96 HG LEU 13 HG LEU 13 -3.237 3.157 -5.353 97 HD11 LEU 13 1HD1 LEU 13 -4.168 4.837 -3.849 98 HD12 LEU 13 2HD1 LEU 13 -2.569 5.098 -3.148 99 HD13 LEU 13 3HD1 LEU 13 -3.373 3.540 -2.955 100 HD21 LEU 13 3HD2 LEU 13 -2.010 4.645 -6.820 101 HD22 LEU 13 1HD2 LEU 13 -1.710 5.750 -5.478 102 HD23 LEU 13 2HD2 LEU 13 -3.355 5.500 -6.061 103 H SER 14 H SER 14 1.713 3.643 -4.991 104 HA SER 14 HA SER 14 3.034 1.033 -4.853 105 HB2 SER 14 1HB SER 14 5.100 2.554 -4.523 106 HB3 SER 14 2HB SER 14 4.347 2.519 -6.117 107 HG SER 14 HG SER 14 4.290 4.606 -5.855 108 H LEU 15 H LEU 15 4.117 0.356 -2.977 109 HA LEU 15 HA LEU 15 3.016 1.464 -0.506 110 HB2 LEU 15 1HB LEU 15 2.895 -0.984 -0.998 111 HB3 LEU 15 2HB LEU 15 4.646 -1.044 -0.931 112 HG LEU 15 HG LEU 15 4.529 -0.291 1.447 113 HD11 LEU 15 1HD1 LEU 15 1.573 -0.769 1.100 114 HD12 LEU 15 2HD1 LEU 15 2.339 0.804 1.327 115 HD13 LEU 15 3HD1 LEU 15 2.403 -0.403 2.613 116 HD21 LEU 15 3HD2 LEU 15 3.020 -2.816 0.783 117 HD22 LEU 15 1HD2 LEU 15 3.789 -2.447 2.326 118 HD23 LEU 15 2HD2 LEU 15 4.773 -2.652 0.877 119 H ILE 16 H ILE 16 4.186 2.720 0.805 120 HA ILE 16 HA ILE 16 7.086 2.879 0.309 121 HB ILE 16 HB ILE 16 7.011 5.171 1.188 122 HG12 ILE 16 1HG1 ILE 16 4.001 4.855 1.167 123 HG13 ILE 16 2HG1 ILE 16 4.987 4.843 2.624 124 HG21 ILE 16 1HG2 ILE 16 5.845 6.191 -0.730 125 HG22 ILE 16 2HG2 ILE 16 5.116 4.627 -1.092 126 HG23 ILE 16 3HG2 ILE 16 6.863 4.831 -1.199 127 HD11 ILE 16 3HD1 ILE 16 5.712 7.129 2.138 128 HD12 ILE 16 1HD1 ILE 16 3.960 7.005 2.296 129 HD13 ILE 16 2HD1 ILE 16 4.695 7.135 0.697 130 H ALA 17 H ALA 17 8.498 3.151 2.025 131 HA ALA 17 HA ALA 17 7.725 1.885 4.519 132 HB1 ALA 17 3HB ALA 17 10.104 2.019 5.041 133 HB2 ALA 17 1HB ALA 17 10.369 2.994 3.596 134 HB3 ALA 17 2HB ALA 17 9.841 1.317 3.444 135 H LYS 18 H LYS 18 6.532 3.218 5.837 136 HA LYS 18 HA LYS 18 7.204 6.031 5.973 137 HB2 LYS 18 1HB LYS 18 4.830 5.247 6.037 138 HB3 LYS 18 2HB LYS 18 5.153 4.536 7.614 139 HG2 LYS 18 1HG LYS 18 5.664 6.718 8.532 140 HG3 LYS 18 2HG LYS 18 5.447 7.458 6.946 141 HD2 LYS 18 1HD LYS 18 3.090 6.729 6.964 142 HD3 LYS 18 2HD LYS 18 3.328 6.072 8.585 143 HE2 LYS 18 1HE LYS 18 3.895 8.305 9.409 144 HE3 LYS 18 2HE LYS 18 3.677 8.962 7.786 145 HZ1 LYS 18 3HZ LYS 18 1.748 9.262 9.314 146 HZ2 LYS 18 1HZ LYS 18 1.523 7.582 9.294 147 HZ3 LYS 18 2HZ LYS 18 1.371 8.481 7.860 148 H ASN 19 H ASN 19 8.754 6.731 7.158 149 HA ASN 19 HA ASN 19 10.132 7.183 8.880 150 HB2 ASN 19 1HB ASN 19 8.393 5.248 10.426 151 HB3 ASN 19 2HB ASN 19 9.775 6.085 11.122 152 HD21 ASN 19 2HD2 ASN 19 6.496 6.315 10.156 153 HD22 ASN 19 1HD2 ASN 19 6.221 7.936 10.702 154 H THR 20 H THR 20 9.325 3.771 9.169 155 HA THR 20 HA THR 20 10.626 1.932 9.504 156 HB THR 20 HB THR 20 11.937 3.209 7.105 157 HG1 THR 20 HG1 THR 20 9.632 2.343 7.291 158 HG21 THR 20 3HG2 THR 20 12.882 1.002 6.601 159 HG22 THR 20 1HG2 THR 20 12.265 0.382 8.132 160 HG23 THR 20 2HG2 THR 20 13.523 1.619 8.124 161 HA PRO 21 HA PRO 21 13.339 3.908 12.454 162 HB2 PRO 21 1HB PRO 21 13.583 1.733 14.090 163 HB3 PRO 21 2HB PRO 21 12.198 2.830 14.096 164 HG2 PRO 21 1HG PRO 21 12.504 0.170 12.763 165 HG3 PRO 21 2HG PRO 21 11.121 0.817 13.668 166 HD2 PRO 21 1HD PRO 21 11.164 0.782 10.983 167 HD3 PRO 21 2HD PRO 21 10.399 2.103 11.888 168 H ALA 22 H ALA 22 15.221 2.829 13.891 169 HA ALA 22 HA ALA 22 17.444 3.087 12.289 170 HB1 ALA 22 3HB ALA 22 17.400 3.499 14.696 171 HB2 ALA 22 1HB ALA 22 18.744 2.458 14.227 172 HB3 ALA 22 2HB ALA 22 17.312 1.763 14.986 173 H ASN 23 H ASN 23 17.770 1.777 10.606 174 HA ASN 23 HA ASN 23 18.825 0.101 9.538 175 HB2 ASN 23 1HB ASN 23 19.611 -0.458 12.361 176 HB3 ASN 23 2HB ASN 23 20.018 -1.627 11.109 177 HD21 ASN 23 2HD2 ASN 23 19.841 1.819 10.516 178 HD22 ASN 23 1HD2 ASN 23 21.539 2.047 10.258 179 H SER 24 H SER 24 15.983 -0.231 10.616 180 HA SER 24 HA SER 24 15.717 -3.109 10.435 181 HB2 SER 24 1HB SER 24 13.250 -2.587 10.419 182 HB3 SER 24 2HB SER 24 14.103 -1.981 11.837 183 HG SER 24 HG SER 24 13.839 -0.311 9.605 184 H MET 25 H MET 25 16.210 -3.931 8.505 185 HA MET 25 HA MET 25 15.608 -2.337 6.116 186 HB2 MET 25 1HB MET 25 17.964 -2.937 6.505 187 HB3 MET 25 2HB MET 25 17.529 -4.640 6.498 188 HG2 MET 25 1HG MET 25 16.788 -4.419 4.164 189 HG3 MET 25 2HG MET 25 17.299 -2.731 4.182 190 HE1 MET 25 3HE MET 25 20.178 -6.311 4.629 191 HE2 MET 25 1HE MET 25 18.441 -6.475 4.375 192 HE3 MET 25 2HE MET 25 19.052 -5.818 5.894 193 H ILE 26 H ILE 26 14.107 -2.980 4.742 194 HA ILE 26 HA ILE 26 12.679 -5.446 5.260 195 HB ILE 26 HB ILE 26 12.081 -3.594 2.969 196 HG12 ILE 26 1HG1 ILE 26 11.185 -3.183 5.833 197 HG13 ILE 26 2HG1 ILE 26 12.395 -2.203 5.013 198 HG21 ILE 26 1HG2 ILE 26 10.344 -5.276 4.777 199 HG22 ILE 26 2HG2 ILE 26 10.847 -5.698 3.140 200 HG23 ILE 26 3HG2 ILE 26 9.783 -4.318 3.407 201 HD11 ILE 26 3HD1 ILE 26 10.713 -1.475 3.403 202 HD12 ILE 26 1HD1 ILE 26 10.241 -1.088 5.058 203 HD13 ILE 26 2HD1 ILE 26 9.502 -2.457 4.226 204 H MET 27 H MET 27 13.542 -7.266 4.439 205 HA MET 27 HA MET 27 15.134 -7.288 2.057 206 HB2 MET 27 1HB MET 27 15.401 -8.962 3.889 207 HB3 MET 27 2HB MET 27 13.830 -9.630 3.463 208 HG2 MET 27 1HG MET 27 14.693 -10.146 1.214 209 HG3 MET 27 2HG MET 27 16.276 -9.556 1.712 210 HE1 MET 27 3HE MET 27 14.200 -13.307 3.411 211 HE2 MET 27 1HE MET 27 13.573 -12.340 2.075 212 HE3 MET 27 2HE MET 27 13.608 -11.673 3.708 213 H THR 28 H THR 28 11.804 -7.868 2.875 214 HA THR 28 HA THR 28 10.940 -8.849 0.361 215 HB THR 28 HB THR 28 9.331 -7.309 2.412 216 HG1 THR 28 HG1 THR 28 9.152 -10.073 2.393 217 HG21 THR 28 3HG2 THR 28 8.496 -9.325 0.323 218 HG22 THR 28 1HG2 THR 28 8.216 -7.585 0.250 219 HG23 THR 28 2HG2 THR 28 7.430 -8.554 1.497 220 H LYS 29 H LYS 29 10.502 -7.751 -1.496 221 HA LYS 29 HA LYS 29 11.038 -4.929 -1.617 222 HB2 LYS 29 1HB LYS 29 11.599 -6.366 -3.522 223 HB3 LYS 29 2HB LYS 29 9.907 -6.801 -3.708 224 HG2 LYS 29 1HG LYS 29 10.559 -5.149 -5.361 225 HG3 LYS 29 2HG LYS 29 9.362 -4.481 -4.249 226 HD2 LYS 29 1HD LYS 29 11.246 -3.460 -2.962 227 HD3 LYS 29 2HD LYS 29 12.339 -3.999 -4.238 228 HE2 LYS 29 1HE LYS 29 11.075 -2.671 -5.869 229 HE3 LYS 29 2HE LYS 29 9.999 -2.126 -4.582 230 HZ1 LYS 29 3HZ LYS 29 12.069 -1.244 -3.470 231 HZ2 LYS 29 1HZ LYS 29 11.577 -0.425 -4.877 232 HZ3 LYS 29 2HZ LYS 29 12.874 -1.516 -4.938 233 H LEU 30 H LEU 30 9.637 -3.418 -1.059 234 HA LEU 30 HA LEU 30 6.960 -3.811 -0.413 235 HB2 LEU 30 1HB LEU 30 8.310 -1.276 -1.354 236 HB3 LEU 30 2HB LEU 30 6.749 -1.352 -0.560 237 HG LEU 30 HG LEU 30 9.377 -2.166 0.687 238 HD11 LEU 30 1HD1 LEU 30 7.640 0.249 1.171 239 HD12 LEU 30 2HD1 LEU 30 9.205 0.246 0.357 240 HD13 LEU 30 3HD1 LEU 30 9.098 -0.177 2.066 241 HD21 LEU 30 3HD2 LEU 30 7.511 -3.464 1.551 242 HD22 LEU 30 1HD2 LEU 30 6.599 -1.984 1.851 243 HD23 LEU 30 2HD2 LEU 30 8.075 -2.310 2.762 244 HA PRO 31 HA PRO 31 5.538 -4.277 -4.614 245 HB2 PRO 31 1HB PRO 31 3.175 -5.380 -4.052 246 HB3 PRO 31 2HB PRO 31 4.683 -6.262 -3.773 247 HG2 PRO 31 1HG PRO 31 2.937 -4.823 -1.816 248 HG3 PRO 31 2HG PRO 31 3.765 -6.381 -1.644 249 HD2 PRO 31 1HD PRO 31 4.697 -3.977 -0.642 250 HD3 PRO 31 2HD PRO 31 5.709 -5.396 -0.972 251 H SER 32 H SER 32 3.200 -3.924 -5.606 252 HA SER 32 HA SER 32 2.374 -1.210 -4.913 253 HB2 SER 32 1HB SER 32 1.110 -1.439 -7.136 254 HB3 SER 32 2HB SER 32 2.871 -1.394 -7.227 255 HG SER 32 HG SER 32 1.229 -3.287 -8.120 256 H VAL 33 H VAL 33 0.183 -0.711 -4.557 257 HA VAL 33 HA VAL 33 -1.451 -3.037 -3.799 258 HB VAL 33 HB VAL 33 -2.726 -1.531 -2.327 259 HG11 VAL 33 1HG1 VAL 33 0.252 -1.483 -1.846 260 HG12 VAL 33 2HG1 VAL 33 -0.863 -2.773 -1.391 261 HG13 VAL 33 3HG1 VAL 33 -0.985 -1.189 -0.623 262 HG21 VAL 33 3HG2 VAL 33 -2.401 0.569 -3.517 263 HG22 VAL 33 1HG2 VAL 33 -0.686 0.551 -3.108 264 HG23 VAL 33 2HG2 VAL 33 -1.895 0.724 -1.835 265 H ARG 34 H ARG 34 -3.290 -3.405 -4.848 266 HA ARG 34 HA ARG 34 -4.115 -1.400 -6.829 267 HB2 ARG 34 1HB ARG 34 -3.429 -3.484 -7.851 268 HB3 ARG 34 2HB ARG 34 -4.516 -4.394 -6.811 269 HG2 ARG 34 1HG ARG 34 -6.361 -3.838 -8.016 270 HG3 ARG 34 2HG ARG 34 -5.700 -2.280 -8.519 271 HD2 ARG 34 1HD ARG 34 -4.672 -4.925 -9.525 272 HD3 ARG 34 2HD ARG 34 -5.931 -3.998 -10.343 273 HE ARG 34 HE ARG 34 -4.023 -2.166 -10.164 274 HH11 ARG 34 1HH1 ARG 34 -3.768 -5.538 -11.084 275 HH12 ARG 34 2HH1 ARG 34 -2.432 -5.262 -12.168 276 HH21 ARG 34 1HH2 ARG 34 -2.295 -1.802 -11.576 277 HH22 ARG 34 2HH2 ARG 34 -1.598 -3.132 -12.454 278 H VAL 35 H VAL 35 -5.750 -0.242 -6.200 279 HA VAL 35 HA VAL 35 -7.832 -1.504 -4.546 280 HB VAL 35 HB VAL 35 -8.198 0.695 -3.470 281 HG11 VAL 35 1HG1 VAL 35 -6.793 -0.972 -2.379 282 HG12 VAL 35 2HG1 VAL 35 -6.211 0.656 -2.035 283 HG13 VAL 35 3HG1 VAL 35 -5.376 -0.347 -3.222 284 HG21 VAL 35 3HG2 VAL 35 -7.327 2.149 -5.220 285 HG22 VAL 35 1HG2 VAL 35 -5.699 1.528 -4.947 286 HG23 VAL 35 2HG2 VAL 35 -6.508 2.464 -3.690 287 H LYS 36 H LYS 36 -9.928 -1.190 -5.162 288 HA LYS 36 HA LYS 36 -10.337 0.266 -7.658 289 HB2 LYS 36 1HB LYS 36 -11.295 -1.956 -7.600 290 HB3 LYS 36 2HB LYS 36 -12.150 -1.592 -6.106 291 HG2 LYS 36 1HG LYS 36 -13.541 0.025 -7.260 292 HG3 LYS 36 2HG LYS 36 -12.648 -0.245 -8.758 293 HD2 LYS 36 1HD LYS 36 -13.440 -2.486 -8.913 294 HD3 LYS 36 2HD LYS 36 -14.130 -2.416 -7.291 295 HE2 LYS 36 1HE LYS 36 -15.729 -0.724 -8.046 296 HE3 LYS 36 2HE LYS 36 -15.033 -0.790 -9.666 297 HZ1 LYS 36 3HZ LYS 36 -17.098 -2.136 -9.339 298 HZ2 LYS 36 1HZ LYS 36 -16.214 -3.147 -8.310 299 HZ3 LYS 36 2HZ LYS 36 -15.773 -3.006 -9.942 300 H THR 37 H THR 37 -11.505 2.088 -7.808 301 HA THR 37 HA THR 37 -12.683 3.137 -5.325 302 HB THR 37 HB THR 37 -12.019 5.428 -6.198 303 HG1 THR 37 HG1 THR 37 -10.886 3.796 -8.137 304 HG21 THR 37 3HG2 THR 37 -9.697 5.252 -5.379 305 HG22 THR 37 1HG2 THR 37 -9.818 3.495 -5.460 306 HG23 THR 37 2HG2 THR 37 -10.837 4.397 -4.340 307 H GLU 38 H GLU 38 -14.278 4.932 -5.804 308 HA GLU 38 HA GLU 38 -15.659 4.457 -8.362 309 HB2 GLU 38 1HB GLU 38 -16.859 4.933 -5.634 310 HB3 GLU 38 2HB GLU 38 -17.777 5.068 -7.126 311 HG2 GLU 38 1HG GLU 38 -17.188 2.708 -7.626 312 HG3 GLU 38 2HG GLU 38 -16.444 2.609 -6.031 313 H GLY 39 H GLY 39 -15.773 6.174 -9.602 314 HA2 GLY 39 1HA GLY 39 -16.692 8.601 -9.353 315 HA3 GLY 39 2HA GLY 39 -15.205 8.801 -8.435 316 H TYR 40 H TYR 40 -14.352 10.295 -9.861 317 HA TYR 40 HA TYR 40 -13.382 9.107 -12.369 318 HB2 TYR 40 1HB TYR 40 -14.557 11.852 -11.962 319 HB3 TYR 40 2HB TYR 40 -13.499 11.484 -13.321 320 HD1 TYR 40 HD2 TYR 40 -16.792 10.868 -11.818 321 HD2 TYR 40 HD1 TYR 40 -14.243 10.074 -15.129 322 HE1 TYR 40 HE2 TYR 40 -18.709 9.979 -13.075 323 HE2 TYR 40 HE1 TYR 40 -16.150 9.183 -16.393 324 HH TYR 40 HH TYR 40 -18.291 8.376 -16.171 325 H ASN 41 H ASN 41 -11.263 9.238 -12.659 326 HA ASN 41 HA ASN 41 -9.740 10.921 -10.780 327 HB2 ASN 41 1HB ASN 41 -8.909 8.264 -11.980 328 HB3 ASN 41 2HB ASN 41 -7.955 9.232 -10.866 329 HD21 ASN 41 2HD2 ASN 41 -7.826 7.640 -9.336 330 HD22 ASN 41 1HD2 ASN 41 -9.178 7.127 -8.390 331 HA PRO 42 HA PRO 42 -8.448 12.203 -15.008 332 HB2 PRO 42 1HB PRO 42 -9.044 14.919 -14.457 333 HB3 PRO 42 2HB PRO 42 -9.968 13.809 -15.471 334 HG2 PRO 42 1HG PRO 42 -10.827 14.908 -13.053 335 HG3 PRO 42 2HG PRO 42 -11.545 13.509 -13.868 336 HD2 PRO 42 1HD PRO 42 -9.626 13.599 -11.583 337 HD3 PRO 42 2HD PRO 42 -10.956 12.462 -11.902 338 H SER 43 H SER 43 -8.107 14.583 -12.390 339 HA SER 43 HA SER 43 -5.353 15.062 -13.168 340 HB2 SER 43 1HB SER 43 -5.636 16.887 -11.351 341 HB3 SER 43 2HB SER 43 -6.550 17.056 -12.853 342 HG SER 43 HG SER 43 -7.568 17.133 -10.509 343 H ILE 44 H ILE 44 -6.962 13.088 -11.002 344 HA ILE 44 HA ILE 44 -4.876 13.207 -8.969 345 HB ILE 44 HB ILE 44 -7.422 11.575 -9.052 346 HG12 ILE 44 1HG1 ILE 44 -6.678 14.072 -7.505 347 HG13 ILE 44 2HG1 ILE 44 -7.808 13.991 -8.851 348 HG21 ILE 44 1HG2 ILE 44 -6.969 11.068 -6.712 349 HG22 ILE 44 2HG2 ILE 44 -5.451 11.962 -6.802 350 HG23 ILE 44 3HG2 ILE 44 -5.661 10.485 -7.743 351 HD11 ILE 44 3HD1 ILE 44 -9.286 12.577 -7.521 352 HD12 ILE 44 1HD1 ILE 44 -8.974 14.124 -6.734 353 HD13 ILE 44 2HD1 ILE 44 -8.154 12.667 -6.172 354 H ASN 45 H ASN 45 -3.147 11.962 -9.121 355 HA ASN 45 HA ASN 45 -3.245 9.705 -11.019 356 HB2 ASN 45 1HB ASN 45 -0.855 11.403 -10.266 357 HB3 ASN 45 2HB ASN 45 -0.883 10.123 -11.474 358 HD21 ASN 45 2HD2 ASN 45 -1.626 13.402 -10.761 359 HD22 ASN 45 1HD2 ASN 45 -2.139 13.856 -12.353 360 H VAL 46 H VAL 46 -2.098 7.813 -10.573 361 HA VAL 46 HA VAL 46 -1.933 7.107 -7.793 362 HB VAL 46 HB VAL 46 -1.257 4.895 -8.566 363 HG11 VAL 46 1HG1 VAL 46 -3.229 4.337 -9.889 364 HG12 VAL 46 2HG1 VAL 46 -3.486 6.048 -10.234 365 HG13 VAL 46 3HG1 VAL 46 -3.627 5.452 -8.581 366 HG21 VAL 46 3HG2 VAL 46 -1.187 6.112 -11.324 367 HG22 VAL 46 1HG2 VAL 46 -0.995 4.400 -10.943 368 HG23 VAL 46 2HG2 VAL 46 0.210 5.567 -10.397 369 H ASN 47 H ASN 47 0.147 8.678 -9.838 370 HA ASN 47 HA ASN 47 2.614 7.667 -8.713 371 HB2 ASN 47 1HB ASN 47 2.397 8.529 -11.074 372 HB3 ASN 47 2HB ASN 47 2.186 10.142 -10.402 373 HD21 ASN 47 2HD2 ASN 47 4.002 11.006 -11.278 374 HD22 ASN 47 1HD2 ASN 47 5.608 10.542 -10.815 375 H GLU 48 H GLU 48 0.200 9.731 -7.729 376 HA GLU 48 HA GLU 48 2.022 11.254 -5.986 377 HB2 GLU 48 1HB GLU 48 -0.747 11.981 -6.956 378 HB3 GLU 48 2HB GLU 48 0.208 12.933 -5.826 379 HG2 GLU 48 1HG GLU 48 1.873 13.353 -7.500 380 HG3 GLU 48 2HG GLU 48 1.067 12.267 -8.631 381 H LEU 49 H LEU 49 -0.813 9.233 -6.156 382 HA LEU 49 HA LEU 49 -1.332 9.394 -3.311 383 HB2 LEU 49 1HB LEU 49 -2.436 7.536 -5.421 384 HB3 LEU 49 2HB LEU 49 -3.009 7.643 -3.769 385 HG LEU 49 HG LEU 49 -3.138 9.911 -5.753 386 HD11 LEU 49 1HD1 LEU 49 -5.518 9.382 -5.912 387 HD12 LEU 49 2HD1 LEU 49 -5.274 7.968 -4.885 388 HD13 LEU 49 3HD1 LEU 49 -4.520 8.042 -6.479 389 HD21 LEU 49 3HD2 LEU 49 -4.434 9.518 -3.057 390 HD22 LEU 49 1HD2 LEU 49 -4.670 10.897 -4.131 391 HD23 LEU 49 2HD2 LEU 49 -3.089 10.604 -3.407 392 H PHE 50 H PHE 50 -0.599 7.967 -1.781 393 HA PHE 50 HA PHE 50 0.911 5.644 -2.768 394 HB2 PHE 50 1HB PHE 50 1.790 7.530 -0.572 395 HB3 PHE 50 2HB PHE 50 2.613 6.041 -1.022 396 HD1 PHE 50 HD1 PHE 50 3.331 5.879 -3.531 397 HD2 PHE 50 HD2 PHE 50 2.477 9.517 -1.498 398 HE1 PHE 50 HE1 PHE 50 4.655 7.116 -5.194 399 HE2 PHE 50 HE2 PHE 50 3.796 10.760 -3.159 400 HZ PHE 50 HZ PHE 50 4.887 9.559 -5.011 401 H ALA 51 H ALA 51 1.191 3.938 -1.265 402 HA ALA 51 HA ALA 51 -0.641 3.977 1.049 403 HB1 ALA 51 3HB ALA 51 -0.759 1.542 0.859 404 HB2 ALA 51 1HB ALA 51 0.301 1.591 -0.549 405 HB3 ALA 51 2HB ALA 51 -1.306 2.312 -0.630 406 H TYR 52 H TYR 52 0.304 3.548 3.039 407 HA TYR 52 HA TYR 52 3.199 3.043 2.911 408 HB2 TYR 52 1HB TYR 52 3.494 4.554 4.834 409 HB3 TYR 52 2HB TYR 52 2.842 5.381 3.427 410 HD1 TYR 52 HD2 TYR 52 2.067 4.119 6.795 411 HD2 TYR 52 HD1 TYR 52 0.663 6.388 3.482 412 HE1 TYR 52 HE2 TYR 52 0.246 5.008 8.182 413 HE2 TYR 52 HE1 TYR 52 -1.163 7.285 4.864 414 HH TYR 52 HH TYR 52 -2.353 6.889 6.837 415 H VAL 53 H VAL 53 4.158 1.914 4.570 416 HA VAL 53 HA VAL 53 2.315 0.551 6.413 417 HB VAL 53 HB VAL 53 4.203 -1.132 6.687 418 HG11 VAL 53 1HG1 VAL 53 2.191 -1.643 5.425 419 HG12 VAL 53 2HG1 VAL 53 3.605 -2.362 4.650 420 HG13 VAL 53 3HG1 VAL 53 2.885 -0.895 3.985 421 HG21 VAL 53 3HG2 VAL 53 5.809 -1.311 4.837 422 HG22 VAL 53 1HG2 VAL 53 6.017 0.189 5.739 423 HG23 VAL 53 2HG2 VAL 53 5.205 0.206 4.174 424 H ASP 54 H ASP 54 2.488 1.010 8.480 425 HA ASP 54 HA ASP 54 4.567 2.835 9.353 426 HB2 ASP 54 1HB ASP 54 2.027 2.948 9.940 427 HB3 ASP 54 2HB ASP 54 2.414 1.708 11.128 428 H LEU 55 H LEU 55 6.447 1.813 9.706 429 HA LEU 55 HA LEU 55 6.440 -0.883 10.806 430 HB2 LEU 55 1HB LEU 55 8.695 0.783 9.699 431 HB3 LEU 55 2HB LEU 55 8.839 -0.880 10.228 432 HG LEU 55 HG LEU 55 7.253 0.136 7.871 433 HD11 LEU 55 1HD1 LEU 55 9.659 -1.664 8.076 434 HD12 LEU 55 2HD1 LEU 55 9.644 -0.002 7.487 435 HD13 LEU 55 3HD1 LEU 55 8.798 -1.264 6.590 436 HD21 LEU 55 3HD2 LEU 55 6.023 -1.656 8.952 437 HD22 LEU 55 1HD2 LEU 55 7.471 -2.663 8.970 438 HD23 LEU 55 2HD2 LEU 55 6.725 -2.217 7.435 439 H SER 56 H SER 56 5.978 1.693 12.388 440 HA SER 56 HA SER 56 8.126 2.054 14.152 441 HB2 SER 56 1HB SER 56 6.301 2.850 15.753 442 HB3 SER 56 2HB SER 56 6.395 3.680 14.200 443 HG SER 56 HG SER 56 4.528 2.851 13.606 444 H GLY 57 H GLY 57 9.046 0.642 15.457 445 HA2 GLY 57 1HA GLY 57 8.241 -0.877 17.437 446 HA3 GLY 57 2HA GLY 57 7.597 -1.825 16.102 447 H SER 58 H SER 58 9.830 -1.052 14.358 448 HA SER 58 HA SER 58 11.743 -2.007 13.608 449 HB2 SER 58 1HB SER 58 13.694 -1.844 15.180 450 HB3 SER 58 2HB SER 58 12.773 -0.352 15.015 451 HG SER 58 HG SER 58 11.698 -1.717 17.002 452 H GLU 59 H GLU 59 9.845 -3.918 14.341 453 HA GLU 59 HA GLU 59 11.178 -5.970 15.882 454 HB2 GLU 59 1HB GLU 59 8.552 -6.028 14.390 455 HB3 GLU 59 2HB GLU 59 9.139 -7.287 15.466 456 HG2 GLU 59 1HG GLU 59 9.149 -5.605 17.307 457 HG3 GLU 59 2HG GLU 59 8.366 -4.477 16.202 458 HA PRO 60 HA PRO 60 13.019 -7.571 12.116 459 HB2 PRO 60 1HB PRO 60 14.708 -9.288 13.310 460 HB3 PRO 60 2HB PRO 60 14.999 -7.544 13.310 461 HG2 PRO 60 1HG PRO 60 13.868 -9.277 15.468 462 HG3 PRO 60 2HG PRO 60 15.036 -7.949 15.597 463 HD2 PRO 60 1HD PRO 60 12.362 -7.693 16.148 464 HD3 PRO 60 2HD PRO 60 13.395 -6.351 15.618 465 H GLY 61 H GLY 61 12.839 -9.458 10.938 466 HA2 GLY 61 1HA GLY 61 12.335 -11.797 10.724 467 HA3 GLY 61 2HA GLY 61 11.360 -11.679 12.183 468 H GLU 62 H GLU 62 9.960 -12.870 10.510 469 HA GLU 62 HA GLU 62 8.614 -11.185 8.591 470 HB2 GLU 62 1HB GLU 62 8.038 -13.991 9.568 471 HB3 GLU 62 2HB GLU 62 7.180 -13.195 8.256 472 HG2 GLU 62 1HG GLU 62 9.128 -13.142 6.900 473 HG3 GLU 62 2HG GLU 62 10.151 -13.647 8.243 474 H HIS 63 H HIS 63 7.343 -9.615 9.385 475 HA HIS 63 HA HIS 63 5.405 -10.359 11.485 476 HB2 HIS 63 1HB HIS 63 6.937 -7.768 11.203 477 HB3 HIS 63 2HB HIS 63 5.536 -7.955 12.250 478 HD1 HIS 63 HD1 HIS 63 6.003 -8.710 14.570 479 HD2 HIS 63 HD2 HIS 63 9.150 -9.534 11.983 480 HE1 HIS 63 HE1 HIS 63 7.845 -9.633 16.015 481 HE2 HIS 63 HE2 HIS 63 9.795 -9.959 14.447 482 H ASP 64 H ASP 64 3.364 -9.304 11.389 483 HA ASP 64 HA ASP 64 2.625 -8.629 8.645 484 HB2 ASP 64 1HB ASP 64 0.885 -9.110 11.073 485 HB3 ASP 64 2HB ASP 64 0.296 -8.827 9.439 486 H TYR 65 H TYR 65 2.392 -6.612 8.002 487 HA TYR 65 HA TYR 65 1.770 -4.563 10.025 488 HB2 TYR 65 1HB TYR 65 3.547 -4.294 7.588 489 HB3 TYR 65 2HB TYR 65 3.070 -2.959 8.635 490 HD1 TYR 65 HD1 TYR 65 3.821 -2.975 11.042 491 HD2 TYR 65 HD2 TYR 65 5.361 -5.699 8.157 492 HE1 TYR 65 HE1 TYR 65 5.738 -3.440 12.511 493 HE2 TYR 65 HE2 TYR 65 7.281 -6.170 9.619 494 HH TYR 65 HH TYR 65 8.502 -5.153 11.451 495 H GLU 66 H GLU 66 0.211 -3.096 9.532 496 HA GLU 66 HA GLU 66 -1.742 -3.873 7.627 497 HB2 GLU 66 1HB GLU 66 -1.513 -1.284 9.169 498 HB3 GLU 66 2HB GLU 66 -2.947 -1.866 8.341 499 HG2 GLU 66 1HG GLU 66 -3.122 -3.722 9.880 500 HG3 GLU 66 2HG GLU 66 -1.628 -3.226 10.678 501 H VAL 67 H VAL 67 -2.122 -3.170 5.600 502 HA VAL 67 HA VAL 67 -0.361 -1.211 4.405 503 HB VAL 67 HB VAL 67 -2.774 -2.608 3.224 504 HG11 VAL 67 1HG1 VAL 67 -1.859 -1.903 1.059 505 HG12 VAL 67 2HG1 VAL 67 -0.589 -1.008 1.894 506 HG13 VAL 67 3HG1 VAL 67 -2.275 -0.523 2.076 507 HG21 VAL 67 3HG2 VAL 67 -1.144 -4.032 2.080 508 HG22 VAL 67 1HG2 VAL 67 -1.022 -4.184 3.833 509 HG23 VAL 67 2HG2 VAL 67 0.164 -3.226 2.946 510 H LYS 68 H LYS 68 -0.716 0.834 4.943 511 HA LYS 68 HA LYS 68 -3.477 1.736 5.367 512 HB2 LYS 68 1HB LYS 68 -0.877 3.033 6.211 513 HB3 LYS 68 2HB LYS 68 -2.494 3.574 6.645 514 HG2 LYS 68 1HG LYS 68 -2.867 1.660 7.998 515 HG3 LYS 68 2HG LYS 68 -1.423 0.861 7.379 516 HD2 LYS 68 1HD LYS 68 -0.048 2.646 8.415 517 HD3 LYS 68 2HD LYS 68 -1.520 3.334 9.106 518 HE2 LYS 68 1HE LYS 68 -0.582 0.514 9.612 519 HE3 LYS 68 2HE LYS 68 -0.205 1.876 10.665 520 HZ1 LYS 68 3HZ LYS 68 -2.490 2.168 11.166 521 HZ2 LYS 68 1HZ LYS 68 -2.152 0.519 11.371 522 HZ3 LYS 68 2HZ LYS 68 -2.979 1.048 9.988 523 H VAL 69 H VAL 69 -4.284 2.462 3.521 524 HA VAL 69 HA VAL 69 -2.621 3.903 1.613 525 HB VAL 69 HB VAL 69 -5.542 3.137 1.407 526 HG11 VAL 69 1HG1 VAL 69 -3.590 4.019 -0.713 527 HG12 VAL 69 2HG1 VAL 69 -4.927 4.973 -0.070 528 HG13 VAL 69 3HG1 VAL 69 -5.254 3.504 -0.989 529 HG21 VAL 69 3HG2 VAL 69 -3.107 1.723 0.329 530 HG22 VAL 69 1HG2 VAL 69 -4.782 1.294 -0.018 531 HG23 VAL 69 2HG2 VAL 69 -4.157 1.151 1.625 532 H GLU 70 H GLU 70 -2.848 6.053 1.122 533 HA GLU 70 HA GLU 70 -3.983 7.779 3.058 534 HB2 GLU 70 1HB GLU 70 -3.163 8.448 0.225 535 HB3 GLU 70 2HB GLU 70 -3.359 9.584 1.552 536 HG2 GLU 70 1HG GLU 70 -1.512 8.422 2.739 537 HG3 GLU 70 2HG GLU 70 -1.272 7.433 1.299 538 HA PRO 71 HA PRO 71 -8.224 7.693 1.666 539 HB2 PRO 71 1HB PRO 71 -8.424 10.225 3.176 540 HB3 PRO 71 2HB PRO 71 -9.320 8.718 3.385 541 HG2 PRO 71 1HG PRO 71 -7.442 9.478 5.138 542 HG3 PRO 71 2HG PRO 71 -7.681 7.772 4.715 543 HD2 PRO 71 1HD PRO 71 -5.578 9.683 3.773 544 HD3 PRO 71 2HD PRO 71 -5.427 7.968 4.211 545 H ILE 72 H ILE 72 -8.700 8.279 -0.347 546 HA ILE 72 HA ILE 72 -7.444 10.578 -1.548 547 HB ILE 72 HB ILE 72 -9.434 8.690 -2.825 548 HG12 ILE 72 1HG1 ILE 72 -7.170 7.819 -3.876 549 HG13 ILE 72 2HG1 ILE 72 -6.482 8.445 -2.381 550 HG21 ILE 72 1HG2 ILE 72 -9.141 10.775 -4.029 551 HG22 ILE 72 2HG2 ILE 72 -8.412 9.442 -4.925 552 HG23 ILE 72 3HG2 ILE 72 -7.391 10.558 -4.018 553 HD11 ILE 72 3HD1 ILE 72 -8.652 6.370 -2.595 554 HD12 ILE 72 1HD1 ILE 72 -7.971 6.998 -1.095 555 HD13 ILE 72 2HD1 ILE 72 -6.959 6.075 -2.205 556 HA PRO 73 HA PRO 73 -10.974 13.233 -0.778 557 HB2 PRO 73 1HB PRO 73 -9.535 15.127 -2.498 558 HB3 PRO 73 2HB PRO 73 -9.989 15.281 -0.799 559 HG2 PRO 73 1HG PRO 73 -7.430 14.945 -1.570 560 HG3 PRO 73 2HG PRO 73 -8.055 14.271 -0.054 561 HD2 PRO 73 1HD PRO 73 -7.566 12.905 -2.676 562 HD3 PRO 73 2HD PRO 73 -7.230 12.333 -1.026 563 H ASN 74 H ASN 74 -12.808 13.445 -1.860 564 HA ASN 74 HA ASN 74 -14.343 13.709 -3.503 565 HB2 ASN 74 1HB ASN 74 -11.937 14.349 -5.210 566 HB3 ASN 74 2HB ASN 74 -13.597 14.450 -5.786 567 HD21 ASN 74 2HD2 ASN 74 -14.627 15.394 -3.235 568 HD22 ASN 74 1HD2 ASN 74 -14.116 17.043 -3.089 569 H ILE 75 H ILE 75 -12.402 11.191 -3.221 570 HA ILE 75 HA ILE 75 -13.833 9.720 -5.316 571 HB ILE 75 HB ILE 75 -10.900 9.340 -4.681 572 HG12 ILE 75 1HG1 ILE 75 -12.254 10.370 -7.184 573 HG13 ILE 75 2HG1 ILE 75 -11.337 11.344 -6.040 574 HG21 ILE 75 1HG2 ILE 75 -12.686 7.914 -6.649 575 HG22 ILE 75 2HG2 ILE 75 -11.990 7.231 -5.180 576 HG23 ILE 75 3HG2 ILE 75 -10.941 7.704 -6.515 577 HD11 ILE 75 3HD1 ILE 75 -10.249 9.113 -7.735 578 HD12 ILE 75 1HD1 ILE 75 -9.325 10.082 -6.585 579 HD13 ILE 75 2HD1 ILE 75 -10.031 10.842 -8.012 580 H LYS 76 H LYS 76 -14.752 7.908 -4.619 581 HA LYS 76 HA LYS 76 -14.453 7.156 -1.836 582 HB2 LYS 76 1HB LYS 76 -16.691 7.236 -2.768 583 HB3 LYS 76 2HB LYS 76 -16.238 6.114 -4.045 584 HG2 LYS 76 1HG LYS 76 -15.773 4.426 -2.230 585 HG3 LYS 76 2HG LYS 76 -16.550 5.549 -1.112 586 HD2 LYS 76 1HD LYS 76 -18.604 5.450 -2.366 587 HD3 LYS 76 2HD LYS 76 -17.839 4.459 -3.609 588 HE2 LYS 76 1HE LYS 76 -17.404 2.744 -1.824 589 HE3 LYS 76 2HE LYS 76 -18.424 3.704 -0.751 590 HZ1 LYS 76 3HZ LYS 76 -19.632 1.885 -1.845 591 HZ2 LYS 76 1HZ LYS 76 -19.288 2.572 -3.360 592 HZ3 LYS 76 2HZ LYS 76 -20.270 3.407 -2.250 593 H ILE 77 H ILE 77 -13.233 5.501 -1.114 594 HA ILE 77 HA ILE 77 -11.975 3.755 -3.090 595 HB ILE 77 HB ILE 77 -10.532 4.773 -1.363 596 HG12 ILE 77 1HG1 ILE 77 -10.742 1.768 -1.069 597 HG13 ILE 77 2HG1 ILE 77 -9.961 2.592 -2.413 598 HG21 ILE 77 1HG2 ILE 77 -12.111 4.862 0.478 599 HG22 ILE 77 2HG2 ILE 77 -10.646 4.004 0.957 600 HG23 ILE 77 3HG2 ILE 77 -12.115 3.100 0.581 601 HD11 ILE 77 3HD1 ILE 77 -8.334 3.560 -0.877 602 HD12 ILE 77 1HD1 ILE 77 -8.336 1.797 -0.798 603 HD13 ILE 77 2HD1 ILE 77 -9.119 2.738 0.472 604 H VAL 78 H VAL 78 -12.418 1.607 -3.282 605 HA VAL 78 HA VAL 78 -14.757 0.683 -1.751 606 HB VAL 78 HB VAL 78 -13.789 -0.322 -4.428 607 HG11 VAL 78 1HG1 VAL 78 -16.023 -1.337 -4.567 608 HG12 VAL 78 2HG1 VAL 78 -16.365 -0.777 -2.930 609 HG13 VAL 78 3HG1 VAL 78 -15.086 -1.960 -3.209 610 HG21 VAL 78 3HG2 VAL 78 -14.466 1.985 -4.649 611 HG22 VAL 78 1HG2 VAL 78 -15.976 1.654 -3.799 612 HG23 VAL 78 2HG2 VAL 78 -15.678 0.936 -5.382 613 H GLU 79 H GLU 79 -11.872 -0.655 -3.370 614 HA GLU 79 HA GLU 79 -11.960 -2.863 -1.420 615 HB2 GLU 79 1HB GLU 79 -11.125 -2.974 -4.324 616 HB3 GLU 79 2HB GLU 79 -11.071 -4.322 -3.195 617 HG2 GLU 79 1HG GLU 79 -13.470 -4.284 -2.969 618 HG3 GLU 79 2HG GLU 79 -13.572 -2.851 -3.991 619 H ILE 80 H ILE 80 -10.202 -3.184 -0.250 620 HA ILE 80 HA ILE 80 -7.707 -1.855 -1.089 621 HB ILE 80 HB ILE 80 -8.550 -2.637 1.710 622 HG12 ILE 80 1HG1 ILE 80 -8.378 0.102 0.426 623 HG13 ILE 80 2HG1 ILE 80 -9.871 -0.757 0.793 624 HG21 ILE 80 1HG2 ILE 80 -6.587 -1.363 2.427 625 HG22 ILE 80 2HG2 ILE 80 -6.160 -1.070 0.741 626 HG23 ILE 80 3HG2 ILE 80 -6.133 -2.712 1.384 627 HD11 ILE 80 3HD1 ILE 80 -9.388 0.951 2.452 628 HD12 ILE 80 1HD1 ILE 80 -7.841 0.183 2.805 629 HD13 ILE 80 2HD1 ILE 80 -9.347 -0.659 3.169 630 H SER 81 H SER 81 -6.417 -3.311 -2.024 631 HA SER 81 HA SER 81 -5.816 -5.747 -0.531 632 HB2 SER 81 1HB SER 81 -5.724 -6.993 -2.751 633 HB3 SER 81 2HB SER 81 -7.333 -6.597 -2.152 634 HG SER 81 HG SER 81 -6.108 -4.734 -3.830 635 HA PRO 82 HA PRO 82 -4.457 -7.008 -0.090 636 HB2 PRO 82 1HB PRO 82 -1.976 -6.783 1.346 637 HB3 PRO 82 2HB PRO 82 -2.522 -8.103 0.310 638 HG2 PRO 82 1HG PRO 82 -0.423 -6.426 -0.286 639 HG3 PRO 82 2HG PRO 82 -1.361 -7.324 -1.491 640 HD2 PRO 82 1HD PRO 82 -1.577 -4.455 -0.668 641 HD3 PRO 82 2HD PRO 82 -1.706 -5.178 -2.287 642 H ARG 83 H ARG 83 -4.960 -7.055 2.159 643 HA ARG 83 HA ARG 83 -5.427 -4.450 3.316 644 HB2 ARG 83 1HB ARG 83 -5.952 -7.236 4.374 645 HB3 ARG 83 2HB ARG 83 -6.494 -5.752 5.144 646 HG2 ARG 83 1HG ARG 83 -8.004 -5.278 3.403 647 HG3 ARG 83 2HG ARG 83 -7.273 -6.485 2.340 648 HD2 ARG 83 1HD ARG 83 -8.725 -7.077 4.917 649 HD3 ARG 83 2HD ARG 83 -9.410 -7.248 3.300 650 HE ARG 83 HE ARG 83 -7.189 -8.774 3.162 651 HH11 ARG 83 1HH1 ARG 83 -9.819 -8.658 5.491 652 HH12 ARG 83 2HH1 ARG 83 -9.712 -10.353 5.867 653 HH21 ARG 83 1HH2 ARG 83 -7.056 -11.003 3.686 654 HH22 ARG 83 2HH2 ARG 83 -8.155 -11.666 4.861 655 H VAL 84 H VAL 84 -3.607 -7.347 4.238 656 HA VAL 84 HA VAL 84 -1.813 -5.664 5.847 657 HB VAL 84 HB VAL 84 -2.827 -8.408 6.641 658 HG11 VAL 84 1HG1 VAL 84 -0.938 -6.540 8.065 659 HG12 VAL 84 2HG1 VAL 84 -0.523 -8.084 7.320 660 HG13 VAL 84 3HG1 VAL 84 -1.587 -8.041 8.726 661 HG21 VAL 84 3HG2 VAL 84 -4.522 -6.692 6.978 662 HG22 VAL 84 1HG2 VAL 84 -3.369 -5.712 7.881 663 HG23 VAL 84 2HG2 VAL 84 -3.899 -7.267 8.524 664 H VAL 85 H VAL 85 0.345 -6.118 5.573 665 HA VAL 85 HA VAL 85 0.968 -8.398 3.815 666 HB VAL 85 HB VAL 85 2.974 -7.071 3.065 667 HG11 VAL 85 1HG1 VAL 85 1.709 -5.698 1.474 668 HG12 VAL 85 2HG1 VAL 85 0.255 -5.924 2.446 669 HG13 VAL 85 3HG1 VAL 85 1.009 -7.307 1.653 670 HG21 VAL 85 3HG2 VAL 85 3.062 -5.452 4.882 671 HG22 VAL 85 1HG2 VAL 85 1.495 -4.803 4.396 672 HG23 VAL 85 2HG2 VAL 85 2.889 -4.631 3.329 673 H THR 86 H THR 86 2.434 -9.814 4.478 674 HA THR 86 HA THR 86 3.693 -9.470 7.056 675 HB THR 86 HB THR 86 4.087 -11.770 5.133 676 HG1 THR 86 HG1 THR 86 2.055 -11.471 7.139 677 HG21 THR 86 3HG2 THR 86 5.630 -11.699 7.023 678 HG22 THR 86 1HG2 THR 86 4.495 -13.037 7.204 679 HG23 THR 86 2HG2 THR 86 4.273 -11.560 8.143 680 H LEU 87 H LEU 87 5.433 -8.175 7.082 681 HA LEU 87 HA LEU 87 7.307 -8.286 4.817 682 HB2 LEU 87 1HB LEU 87 6.950 -6.173 6.945 683 HB3 LEU 87 2HB LEU 87 8.156 -6.120 5.675 684 HG LEU 87 HG LEU 87 5.165 -6.031 5.274 685 HD11 LEU 87 1HD1 LEU 87 5.578 -3.730 4.538 686 HD12 LEU 87 2HD1 LEU 87 7.280 -3.902 4.965 687 HD13 LEU 87 3HD1 LEU 87 6.044 -3.971 6.222 688 HD21 LEU 87 3HD2 LEU 87 6.302 -7.179 3.437 689 HD22 LEU 87 1HD2 LEU 87 7.403 -5.813 3.263 690 HD23 LEU 87 2HD2 LEU 87 5.684 -5.607 2.931 691 H GLN 88 H GLN 88 9.297 -9.075 5.099 692 HA GLN 88 HA GLN 88 10.037 -9.942 7.787 693 HB2 GLN 88 1HB GLN 88 10.154 -11.542 5.864 694 HB3 GLN 88 2HB GLN 88 11.428 -10.546 5.172 695 HG2 GLN 88 1HG GLN 88 12.796 -10.936 7.174 696 HG3 GLN 88 2HG GLN 88 11.529 -11.978 7.817 697 HE21 GLN 88 2HE2 GLN 88 14.282 -12.608 7.204 698 HE22 GLN 88 1HE2 GLN 88 14.249 -13.888 6.040 699 H LEU 89 H LEU 89 10.995 -8.403 8.923 700 HA LEU 89 HA LEU 89 12.814 -6.533 7.621 701 HB2 LEU 89 1HB LEU 89 11.750 -6.670 10.441 702 HB3 LEU 89 2HB LEU 89 12.890 -5.460 9.882 703 HG LEU 89 HG LEU 89 10.095 -5.845 8.827 704 HD11 LEU 89 1HD1 LEU 89 9.640 -3.697 9.919 705 HD12 LEU 89 2HD1 LEU 89 11.268 -3.706 10.598 706 HD13 LEU 89 3HD1 LEU 89 10.102 -4.938 11.084 707 HD21 LEU 89 3HD2 LEU 89 10.508 -3.736 7.645 708 HD22 LEU 89 1HD2 LEU 89 11.592 -5.021 7.112 709 HD23 LEU 89 2HD2 LEU 89 12.182 -3.767 8.203 710 H GLU 90 H GLU 90 14.917 -6.743 7.650 711 HA GLU 90 HA GLU 90 16.103 -8.542 9.659 712 HB2 GLU 90 1HB GLU 90 16.200 -9.423 7.318 713 HB3 GLU 90 2HB GLU 90 17.156 -8.017 6.871 714 HG2 GLU 90 1HG GLU 90 18.946 -8.694 8.294 715 HG3 GLU 90 2HG GLU 90 17.970 -9.983 8.993 716 H HIS 91 H HIS 91 18.178 -7.920 10.479 717 HA HIS 91 HA HIS 91 18.299 -5.075 10.850 718 HB2 HIS 91 1HB HIS 91 19.699 -7.429 12.035 719 HB3 HIS 91 2HB HIS 91 20.424 -5.833 12.214 720 HD1 HIS 91 HD1 HIS 91 18.277 -8.032 13.981 721 HD2 HIS 91 HD2 HIS 91 18.277 -3.934 13.243 722 HE1 HIS 91 HE1 HIS 91 16.832 -7.013 15.771 723 HE2 HIS 91 HE2 HIS 91 17.005 -4.523 15.411 724 H HIS 92 H HIS 92 19.729 -3.647 10.077 725 HA HIS 92 HA HIS 92 21.287 -4.320 7.796 726 HB2 HIS 92 1HB HIS 92 20.250 -2.065 8.279 727 HB3 HIS 92 2HB HIS 92 21.526 -1.810 9.465 728 HD1 HIS 92 HD1 HIS 92 23.564 -0.679 8.597 729 HD2 HIS 92 HD2 HIS 92 21.384 -2.528 5.572 730 HE1 HIS 92 HE1 HIS 92 24.716 -0.058 6.449 731 HE2 HIS 92 HE2 HIS 92 23.471 -1.308 4.649 732 H HIS 93 H HIS 93 21.903 -4.266 11.193 733 HA HIS 93 HA HIS 93 24.762 -4.703 10.784 734 HB2 HIS 93 1HB HIS 93 23.047 -4.520 13.260 735 HB3 HIS 93 2HB HIS 93 24.710 -5.089 13.320 736 HD1 HIS 93 HD1 HIS 93 26.553 -3.365 13.198 737 HD2 HIS 93 HD2 HIS 93 22.751 -1.758 12.671 738 HE1 HIS 93 HE1 HIS 93 26.838 -0.869 13.372 739 HE2 HIS 93 HE2 HIS 93 24.524 0.088 13.057 740 H HIS 94 H HIS 94 24.640 -6.636 9.576 741 HA HIS 94 HA HIS 94 23.246 -8.925 10.554 742 HB2 HIS 94 1HB HIS 94 25.377 -8.588 8.442 743 HB3 HIS 94 2HB HIS 94 24.690 -10.156 8.852 744 HD1 HIS 94 HD1 HIS 94 24.343 -7.714 6.376 745 HD2 HIS 94 HD2 HIS 94 21.617 -9.831 8.696 746 HE1 HIS 94 HE1 HIS 94 22.164 -7.606 5.130 747 HE2 HIS 94 HE2 HIS 94 20.602 -9.099 6.429 748 H HIS 95 H HIS 95 23.783 -9.648 12.491 749 HA HIS 95 HA HIS 95 26.592 -9.674 13.295 750 HB2 HIS 95 1HB HIS 95 24.032 -10.084 14.841 751 HB3 HIS 95 2HB HIS 95 25.628 -10.309 15.549 752 HD1 HIS 95 HD1 HIS 95 23.320 -8.061 16.164 753 HD2 HIS 95 HD2 HIS 95 27.000 -7.568 14.286 754 HE1 HIS 95 HE1 HIS 95 23.913 -5.633 16.452 755 HE2 HIS 95 HE2 HIS 95 26.239 -5.416 15.502 756 H HIS 96 H HIS 96 27.362 -11.544 14.543 757 HA HIS 96 HA HIS 96 26.268 -14.083 13.532 758 HB2 HIS 96 1HB HIS 96 29.151 -13.381 14.150 759 HB3 HIS 96 2HB HIS 96 28.582 -14.997 13.745 760 HD1 HIS 96 HD1 HIS 96 29.713 -11.841 12.251 761 HD2 HIS 96 HD2 HIS 96 27.620 -15.223 11.018 762 HE1 HIS 96 HE1 HIS 96 29.770 -11.801 9.734 763 HE2 HIS 96 HE2 HIS 96 28.619 -13.924 9.012 Start of MODEL 15 1 H1 SER 1 1H SER 1 -2.953 10.137 -15.598 2 H2 SER 1 2H SER 1 -1.509 9.337 -15.217 3 H3 SER 1 3H SER 1 -2.589 9.765 -13.986 4 HA SER 1 HA SER 1 -3.157 7.827 -16.147 5 HB2 SER 1 1HB SER 1 -2.683 7.266 -13.212 6 HB3 SER 1 2HB SER 1 -2.803 6.098 -14.530 7 HG SER 1 HG SER 1 -0.849 6.890 -15.359 8 H SER 2 H SER 2 -5.239 8.556 -16.569 9 HA SER 2 HA SER 2 -7.169 8.203 -14.416 10 HB2 SER 2 1HB SER 2 -6.955 10.793 -15.971 11 HB3 SER 2 2HB SER 2 -8.204 10.399 -14.791 12 HG SER 2 HG SER 2 -6.568 10.280 -13.197 13 H GLN 3 H GLN 3 -8.273 6.589 -15.444 14 HA GLN 3 HA GLN 3 -9.175 7.022 -18.180 15 HB2 GLN 3 1HB GLN 3 -8.390 4.772 -17.558 16 HB3 GLN 3 2HB GLN 3 -9.652 4.672 -16.336 17 HG2 GLN 3 1HG GLN 3 -11.357 4.810 -18.070 18 HG3 GLN 3 2HG GLN 3 -10.104 4.938 -19.301 19 HE21 GLN 3 2HE2 GLN 3 -10.797 3.104 -20.355 20 HE22 GLN 3 1HE2 GLN 3 -10.541 1.515 -19.721 21 H THR 4 H THR 4 -11.046 7.924 -18.636 22 HA THR 4 HA THR 4 -12.969 8.323 -16.455 23 HB THR 4 HB THR 4 -13.915 10.051 -18.113 24 HG1 THR 4 HG1 THR 4 -11.944 10.771 -19.459 25 HG21 THR 4 3HG2 THR 4 -12.690 10.673 -16.094 26 HG22 THR 4 1HG2 THR 4 -12.247 11.728 -17.436 27 HG23 THR 4 2HG2 THR 4 -11.157 10.434 -16.935 28 H LEU 5 H LEU 5 -12.498 6.224 -18.900 29 HA LEU 5 HA LEU 5 -15.224 6.126 -19.885 30 HB2 LEU 5 1HB LEU 5 -12.848 4.346 -20.436 31 HB3 LEU 5 2HB LEU 5 -14.407 4.205 -21.225 32 HG LEU 5 HG LEU 5 -12.551 6.580 -21.418 33 HD11 LEU 5 1HD1 LEU 5 -11.701 4.640 -22.610 34 HD12 LEU 5 2HD1 LEU 5 -12.264 5.871 -23.741 35 HD13 LEU 5 3HD1 LEU 5 -13.252 4.445 -23.425 36 HD21 LEU 5 3HD2 LEU 5 -14.101 7.390 -23.122 37 HD22 LEU 5 1HD2 LEU 5 -14.901 7.233 -21.558 38 HD23 LEU 5 2HD2 LEU 5 -15.168 6.021 -22.811 39 H ASP 6 H ASP 6 -13.578 4.975 -17.222 40 HA ASP 6 HA ASP 6 -15.444 2.719 -16.880 41 HB2 ASP 6 1HB ASP 6 -12.876 2.355 -16.755 42 HB3 ASP 6 2HB ASP 6 -12.978 3.177 -15.204 43 H ARG 7 H ARG 7 -16.647 2.612 -14.952 44 HA ARG 7 HA ARG 7 -17.179 5.214 -13.792 45 HB2 ARG 7 1HB ARG 7 -18.498 2.549 -13.244 46 HB3 ARG 7 2HB ARG 7 -19.092 4.125 -12.734 47 HG2 ARG 7 1HG ARG 7 -18.806 3.165 -15.574 48 HG3 ARG 7 2HG ARG 7 -20.312 3.326 -14.669 49 HD2 ARG 7 1HD ARG 7 -20.004 5.722 -14.518 50 HD3 ARG 7 2HD ARG 7 -18.437 5.596 -15.317 51 HE ARG 7 HE ARG 7 -20.640 4.538 -16.852 52 HH11 ARG 7 1HH1 ARG 7 -18.714 7.373 -16.106 53 HH12 ARG 7 2HH1 ARG 7 -19.121 8.201 -17.586 54 HH21 ARG 7 1HH2 ARG 7 -21.167 5.621 -18.811 55 HH22 ARG 7 2HH2 ARG 7 -20.517 7.205 -19.113 56 H ASP 8 H ASP 8 -15.407 2.397 -12.998 57 HA ASP 8 HA ASP 8 -14.364 3.614 -10.646 58 HB2 ASP 8 1HB ASP 8 -14.999 1.854 -9.027 59 HB3 ASP 8 2HB ASP 8 -16.391 2.757 -9.607 60 HA PRO 9 HA PRO 9 -11.415 0.828 -12.612 61 HB2 PRO 9 1HB PRO 9 -9.296 2.452 -12.463 62 HB3 PRO 9 2HB PRO 9 -10.584 2.725 -13.642 63 HG2 PRO 9 1HG PRO 9 -10.049 4.120 -11.062 64 HG3 PRO 9 2HG PRO 9 -10.638 4.783 -12.595 65 HD2 PRO 9 1HD PRO 9 -12.217 4.127 -10.392 66 HD3 PRO 9 2HD PRO 9 -12.804 4.369 -12.048 67 H THR 10 H THR 10 -9.537 -0.299 -11.886 68 HA THR 10 HA THR 10 -9.213 -0.348 -8.984 69 HB THR 10 HB THR 10 -7.990 -2.172 -11.071 70 HG1 THR 10 HG1 THR 10 -9.663 -3.641 -10.212 71 HG21 THR 10 3HG2 THR 10 -7.586 -3.676 -9.174 72 HG22 THR 10 1HG2 THR 10 -8.241 -2.464 -8.074 73 HG23 THR 10 2HG2 THR 10 -6.752 -2.137 -8.961 74 H LEU 11 H LEU 11 -7.848 1.127 -8.244 75 HA LEU 11 HA LEU 11 -5.696 2.153 -9.879 76 HB2 LEU 11 1HB LEU 11 -7.082 3.650 -8.518 77 HB3 LEU 11 2HB LEU 11 -6.564 2.819 -7.065 78 HG LEU 11 HG LEU 11 -4.262 3.590 -7.439 79 HD11 LEU 11 1HD1 LEU 11 -5.442 5.080 -9.781 80 HD12 LEU 11 2HD1 LEU 11 -4.310 3.730 -9.870 81 HD13 LEU 11 3HD1 LEU 11 -3.801 5.262 -9.160 82 HD21 LEU 11 3HD2 LEU 11 -5.776 4.915 -6.058 83 HD22 LEU 11 1HD2 LEU 11 -6.321 5.795 -7.487 84 HD23 LEU 11 2HD2 LEU 11 -4.652 5.951 -6.938 85 H THR 12 H THR 12 -3.530 1.824 -9.563 86 HA THR 12 HA THR 12 -2.798 -0.093 -7.449 87 HB THR 12 HB THR 12 -1.422 0.264 -10.120 88 HG1 THR 12 HG1 THR 12 -3.713 -0.864 -9.685 89 HG21 THR 12 3HG2 THR 12 -1.118 -1.832 -7.963 90 HG22 THR 12 1HG2 THR 12 0.055 -0.577 -8.364 91 HG23 THR 12 2HG2 THR 12 -0.308 -1.850 -9.529 92 H LEU 13 H LEU 13 -1.645 0.808 -5.893 93 HA LEU 13 HA LEU 13 0.037 3.143 -6.551 94 HB2 LEU 13 1HB LEU 13 -1.289 2.462 -3.923 95 HB3 LEU 13 2HB LEU 13 -0.292 3.871 -4.233 96 HG LEU 13 HG LEU 13 -2.968 3.294 -5.509 97 HD11 LEU 13 1HD1 LEU 13 -2.165 5.334 -3.440 98 HD12 LEU 13 2HD1 LEU 13 -3.140 3.894 -3.149 99 HD13 LEU 13 3HD1 LEU 13 -3.756 5.181 -4.185 100 HD21 LEU 13 3HD2 LEU 13 -1.140 5.681 -5.754 101 HD22 LEU 13 1HD2 LEU 13 -2.773 5.566 -6.412 102 HD23 LEU 13 2HD2 LEU 13 -1.501 4.507 -7.021 103 H SER 14 H SER 14 2.130 3.181 -5.800 104 HA SER 14 HA SER 14 3.296 0.653 -5.141 105 HB2 SER 14 1HB SER 14 4.546 3.411 -5.206 106 HB3 SER 14 2HB SER 14 5.420 1.879 -5.159 107 HG SER 14 HG SER 14 3.956 1.504 -7.162 108 H LEU 15 H LEU 15 4.194 -0.014 -3.220 109 HA LEU 15 HA LEU 15 3.151 1.302 -0.846 110 HB2 LEU 15 1HB LEU 15 2.939 -1.154 -1.188 111 HB3 LEU 15 2HB LEU 15 4.685 -1.287 -1.121 112 HG LEU 15 HG LEU 15 4.607 -0.400 1.212 113 HD11 LEU 15 1HD1 LEU 15 2.463 -0.401 2.380 114 HD12 LEU 15 2HD1 LEU 15 1.634 -0.759 0.866 115 HD13 LEU 15 3HD1 LEU 15 2.478 0.776 1.068 116 HD21 LEU 15 3HD2 LEU 15 3.779 -2.482 2.201 117 HD22 LEU 15 1HD2 LEU 15 4.773 -2.789 0.776 118 HD23 LEU 15 2HD2 LEU 15 3.015 -2.905 0.668 119 H ILE 16 H ILE 16 4.326 2.663 0.323 120 HA ILE 16 HA ILE 16 7.238 2.694 -0.081 121 HB ILE 16 HB ILE 16 7.206 4.978 0.817 122 HG12 ILE 16 1HG1 ILE 16 4.190 4.704 0.834 123 HG13 ILE 16 2HG1 ILE 16 5.199 4.673 2.276 124 HG21 ILE 16 1HG2 ILE 16 5.260 4.526 -1.441 125 HG22 ILE 16 2HG2 ILE 16 7.014 4.655 -1.579 126 HG23 ILE 16 3HG2 ILE 16 6.063 6.052 -1.074 127 HD11 ILE 16 3HD1 ILE 16 4.195 6.848 1.991 128 HD12 ILE 16 1HD1 ILE 16 4.885 6.982 0.372 129 HD13 ILE 16 2HD1 ILE 16 5.944 6.957 1.782 130 H ALA 17 H ALA 17 8.653 2.764 1.648 131 HA ALA 17 HA ALA 17 7.746 1.552 4.099 132 HB1 ALA 17 3HB ALA 17 9.897 0.913 3.123 133 HB2 ALA 17 1HB ALA 17 10.110 1.592 4.737 134 HB3 ALA 17 2HB ALA 17 10.481 2.566 3.314 135 H LYS 18 H LYS 18 6.835 2.728 5.651 136 HA LYS 18 HA LYS 18 7.662 5.541 5.927 137 HB2 LYS 18 1HB LYS 18 5.269 5.124 5.302 138 HB3 LYS 18 2HB LYS 18 5.066 4.288 6.836 139 HG2 LYS 18 1HG LYS 18 6.005 6.522 7.823 140 HG3 LYS 18 2HG LYS 18 5.440 7.185 6.289 141 HD2 LYS 18 1HD LYS 18 3.203 6.353 6.726 142 HD3 LYS 18 2HD LYS 18 3.756 5.605 8.228 143 HE2 LYS 18 1HE LYS 18 4.540 8.002 8.830 144 HE3 LYS 18 2HE LYS 18 3.418 8.501 7.565 145 HZ1 LYS 18 3HZ LYS 18 2.687 6.825 9.906 146 HZ2 LYS 18 1HZ LYS 18 1.625 7.445 8.739 147 HZ3 LYS 18 2HZ LYS 18 2.425 8.500 9.796 148 H ASN 19 H ASN 19 8.556 6.180 7.782 149 HA ASN 19 HA ASN 19 9.179 6.312 9.956 150 HB2 ASN 19 1HB ASN 19 6.863 4.417 10.274 151 HB3 ASN 19 2HB ASN 19 7.870 4.870 11.645 152 HD21 ASN 19 2HD2 ASN 19 6.165 5.875 12.668 153 HD22 ASN 19 1HD2 ASN 19 5.535 7.397 12.148 154 H THR 20 H THR 20 9.798 3.833 8.042 155 HA THR 20 HA THR 20 10.636 1.737 9.696 156 HB THR 20 HB THR 20 11.744 2.495 6.989 157 HG1 THR 20 HG1 THR 20 9.279 1.641 7.774 158 HG21 THR 20 3HG2 THR 20 11.586 -0.171 8.408 159 HG22 THR 20 1HG2 THR 20 13.051 0.774 8.154 160 HG23 THR 20 2HG2 THR 20 12.193 0.093 6.772 161 HA PRO 21 HA PRO 21 13.991 3.953 11.650 162 HB2 PRO 21 1HB PRO 21 14.547 1.321 12.861 163 HB3 PRO 21 2HB PRO 21 14.161 2.859 13.638 164 HG2 PRO 21 1HG PRO 21 12.388 0.859 13.571 165 HG3 PRO 21 2HG PRO 21 11.877 2.550 13.412 166 HD2 PRO 21 1HD PRO 21 12.239 0.471 11.284 167 HD3 PRO 21 2HD PRO 21 10.937 1.665 11.484 168 H ALA 22 H ALA 22 16.312 3.706 11.973 169 HA ALA 22 HA ALA 22 17.597 2.829 9.575 170 HB1 ALA 22 3HB ALA 22 18.313 4.831 10.791 171 HB2 ALA 22 1HB ALA 22 19.636 3.679 10.602 172 HB3 ALA 22 2HB ALA 22 18.806 3.824 12.153 173 H ASN 23 H ASN 23 17.009 1.433 12.660 174 HA ASN 23 HA ASN 23 19.112 -0.548 12.443 175 HB2 ASN 23 1HB ASN 23 16.886 -0.162 14.453 176 HB3 ASN 23 2HB ASN 23 18.037 -1.490 14.526 177 HD21 ASN 23 2HD2 ASN 23 17.563 0.610 16.446 178 HD22 ASN 23 1HD2 ASN 23 19.071 1.445 16.643 179 H SER 24 H SER 24 16.362 -0.177 10.833 180 HA SER 24 HA SER 24 15.728 -3.048 10.817 181 HB2 SER 24 1HB SER 24 13.906 -0.723 10.147 182 HB3 SER 24 2HB SER 24 13.461 -2.429 10.099 183 HG SER 24 HG SER 24 12.881 -2.040 12.088 184 H MET 25 H MET 25 16.216 -4.080 9.015 185 HA MET 25 HA MET 25 16.403 -2.532 6.516 186 HB2 MET 25 1HB MET 25 18.593 -3.379 7.260 187 HB3 MET 25 2HB MET 25 17.948 -5.014 7.300 188 HG2 MET 25 1HG MET 25 17.643 -5.009 4.916 189 HG3 MET 25 2HG MET 25 18.110 -3.312 4.823 190 HE1 MET 25 3HE MET 25 19.777 -6.048 7.105 191 HE2 MET 25 1HE MET 25 21.033 -6.676 6.037 192 HE3 MET 25 2HE MET 25 19.332 -6.955 5.660 193 H ILE 26 H ILE 26 14.737 -2.947 5.257 194 HA ILE 26 HA ILE 26 13.048 -5.224 5.684 195 HB ILE 26 HB ILE 26 12.893 -3.322 3.347 196 HG12 ILE 26 1HG1 ILE 26 11.692 -2.966 6.105 197 HG13 ILE 26 2HG1 ILE 26 13.022 -2.019 5.446 198 HG21 ILE 26 1HG2 ILE 26 10.505 -3.864 3.441 199 HG22 ILE 26 2HG2 ILE 26 10.805 -4.941 4.806 200 HG23 ILE 26 3HG2 ILE 26 11.489 -5.312 3.223 201 HD11 ILE 26 3HD1 ILE 26 10.924 -0.805 5.331 202 HD12 ILE 26 1HD1 ILE 26 10.212 -2.103 4.371 203 HD13 ILE 26 2HD1 ILE 26 11.541 -1.149 3.714 204 H MET 27 H MET 27 13.495 -7.185 4.903 205 HA MET 27 HA MET 27 15.388 -7.539 2.764 206 HB2 MET 27 1HB MET 27 15.154 -9.113 4.711 207 HB3 MET 27 2HB MET 27 13.610 -9.626 4.040 208 HG2 MET 27 1HG MET 27 14.823 -10.276 1.958 209 HG3 MET 27 2HG MET 27 16.330 -9.934 2.805 210 HE1 MET 27 3HE MET 27 16.307 -13.836 2.648 211 HE2 MET 27 1HE MET 27 17.211 -12.365 2.284 212 HE3 MET 27 2HE MET 27 15.717 -12.720 1.417 213 H THR 28 H THR 28 11.927 -7.672 3.178 214 HA THR 28 HA THR 28 11.385 -8.774 0.585 215 HB THR 28 HB THR 28 9.400 -7.318 2.324 216 HG1 THR 28 HG1 THR 28 10.534 -9.911 2.656 217 HG21 THR 28 3HG2 THR 28 9.167 -9.684 0.456 218 HG22 THR 28 1HG2 THR 28 8.637 -8.037 0.113 219 HG23 THR 28 2HG2 THR 28 7.844 -8.974 1.382 220 H LYS 29 H LYS 29 11.453 -7.628 -1.267 221 HA LYS 29 HA LYS 29 11.623 -4.789 -1.312 222 HB2 LYS 29 1HB LYS 29 12.603 -6.226 -3.082 223 HB3 LYS 29 2HB LYS 29 10.982 -6.675 -3.593 224 HG2 LYS 29 1HG LYS 29 10.507 -4.368 -4.191 225 HG3 LYS 29 2HG LYS 29 12.108 -3.880 -3.631 226 HD2 LYS 29 1HD LYS 29 13.136 -5.313 -5.330 227 HD3 LYS 29 2HD LYS 29 11.533 -5.799 -5.887 228 HE2 LYS 29 1HE LYS 29 11.034 -3.485 -6.492 229 HE3 LYS 29 2HE LYS 29 12.622 -2.984 -5.912 230 HZ1 LYS 29 3HZ LYS 29 12.172 -4.922 -8.116 231 HZ2 LYS 29 1HZ LYS 29 13.662 -4.299 -7.609 232 HZ3 LYS 29 2HZ LYS 29 12.522 -3.279 -8.342 233 H LEU 30 H LEU 30 10.057 -3.313 -1.386 234 HA LEU 30 HA LEU 30 7.398 -4.075 -0.793 235 HB2 LEU 30 1HB LEU 30 8.492 -1.376 -1.585 236 HB3 LEU 30 2HB LEU 30 6.927 -1.668 -0.848 237 HG LEU 30 HG LEU 30 9.590 -2.238 0.460 238 HD11 LEU 30 1HD1 LEU 30 7.615 -0.009 0.918 239 HD12 LEU 30 2HD1 LEU 30 9.220 0.148 0.204 240 HD13 LEU 30 3HD1 LEU 30 9.049 -0.330 1.893 241 HD21 LEU 30 3HD2 LEU 30 8.254 -2.570 2.485 242 HD22 LEU 30 1HD2 LEU 30 7.830 -3.734 1.229 243 HD23 LEU 30 2HD2 LEU 30 6.778 -2.354 1.545 244 HA PRO 31 HA PRO 31 5.978 -4.226 -5.029 245 HB2 PRO 31 1HB PRO 31 3.678 -5.484 -4.543 246 HB3 PRO 31 2HB PRO 31 5.224 -6.316 -4.345 247 HG2 PRO 31 1HG PRO 31 3.381 -5.224 -2.280 248 HG3 PRO 31 2HG PRO 31 4.424 -6.654 -2.214 249 HD2 PRO 31 1HD PRO 31 4.979 -4.101 -1.137 250 HD3 PRO 31 2HD PRO 31 6.117 -5.452 -1.302 251 H SER 32 H SER 32 3.337 -4.037 -5.715 252 HA SER 32 HA SER 32 2.521 -1.395 -4.695 253 HB2 SER 32 1HB SER 32 2.074 -2.550 -7.459 254 HB3 SER 32 2HB SER 32 1.554 -0.956 -6.909 255 HG SER 32 HG SER 32 4.253 -1.648 -6.646 256 H VAL 33 H VAL 33 0.389 -1.066 -4.199 257 HA VAL 33 HA VAL 33 -1.188 -3.510 -3.824 258 HB VAL 33 HB VAL 33 -0.713 -2.037 -1.860 259 HG11 VAL 33 1HG1 VAL 33 -1.949 0.063 -1.618 260 HG12 VAL 33 2HG1 VAL 33 -2.507 -0.085 -3.284 261 HG13 VAL 33 3HG1 VAL 33 -0.789 0.125 -2.946 262 HG21 VAL 33 3HG2 VAL 33 -2.612 -3.542 -1.814 263 HG22 VAL 33 1HG2 VAL 33 -3.618 -2.325 -2.598 264 HG23 VAL 33 2HG2 VAL 33 -2.999 -2.042 -0.972 265 H ARG 34 H ARG 34 -3.325 -3.673 -4.571 266 HA ARG 34 HA ARG 34 -4.075 -1.614 -6.542 267 HB2 ARG 34 1HB ARG 34 -4.955 -4.500 -6.621 268 HB3 ARG 34 2HB ARG 34 -5.097 -3.293 -7.892 269 HG2 ARG 34 1HG ARG 34 -2.564 -3.230 -7.923 270 HG3 ARG 34 2HG ARG 34 -2.618 -4.675 -6.914 271 HD2 ARG 34 1HD ARG 34 -2.455 -5.576 -9.029 272 HD3 ARG 34 2HD ARG 34 -4.197 -5.586 -8.764 273 HE ARG 34 HE ARG 34 -3.083 -3.261 -10.130 274 HH11 ARG 34 1HH1 ARG 34 -4.822 -6.294 -10.341 275 HH12 ARG 34 2HH1 ARG 34 -5.339 -6.033 -11.985 276 HH21 ARG 34 1HH2 ARG 34 -3.723 -2.918 -12.299 277 HH22 ARG 34 2HH2 ARG 34 -4.698 -4.118 -13.103 278 H VAL 35 H VAL 35 -5.771 -0.466 -5.997 279 HA VAL 35 HA VAL 35 -7.701 -1.624 -4.098 280 HB VAL 35 HB VAL 35 -8.146 0.723 -3.351 281 HG11 VAL 35 1HG1 VAL 35 -6.084 0.914 -1.990 282 HG12 VAL 35 2HG1 VAL 35 -5.360 -0.357 -2.978 283 HG13 VAL 35 3HG1 VAL 35 -6.781 -0.703 -1.994 284 HG21 VAL 35 3HG2 VAL 35 -5.658 1.339 -4.946 285 HG22 VAL 35 1HG2 VAL 35 -6.455 2.440 -3.822 286 HG23 VAL 35 2HG2 VAL 35 -7.288 1.921 -5.287 287 H LYS 36 H LYS 36 -9.787 -1.618 -4.649 288 HA LYS 36 HA LYS 36 -10.601 -0.583 -7.213 289 HB2 LYS 36 1HB LYS 36 -11.673 -2.400 -5.211 290 HB3 LYS 36 2HB LYS 36 -12.896 -1.267 -5.767 291 HG2 LYS 36 1HG LYS 36 -11.218 -2.950 -7.609 292 HG3 LYS 36 2HG LYS 36 -12.815 -3.417 -7.018 293 HD2 LYS 36 1HD LYS 36 -13.719 -1.311 -8.004 294 HD3 LYS 36 2HD LYS 36 -12.128 -1.012 -8.708 295 HE2 LYS 36 1HE LYS 36 -12.267 -3.023 -10.012 296 HE3 LYS 36 2HE LYS 36 -13.765 -3.491 -9.209 297 HZ1 LYS 36 3HZ LYS 36 -14.336 -2.585 -11.304 298 HZ2 LYS 36 1HZ LYS 36 -13.357 -1.220 -11.077 299 HZ3 LYS 36 2HZ LYS 36 -14.760 -1.417 -10.152 300 H THR 37 H THR 37 -11.298 1.435 -7.547 301 HA THR 37 HA THR 37 -12.155 2.975 -5.190 302 HB THR 37 HB THR 37 -11.226 4.992 -6.420 303 HG1 THR 37 HG1 THR 37 -10.908 3.299 -8.362 304 HG21 THR 37 3HG2 THR 37 -10.074 4.011 -4.505 305 HG22 THR 37 1HG2 THR 37 -8.912 4.563 -5.711 306 HG23 THR 37 2HG2 THR 37 -9.281 2.845 -5.565 307 H GLU 38 H GLU 38 -14.042 3.955 -5.288 308 HA GLU 38 HA GLU 38 -15.574 3.815 -7.775 309 HB2 GLU 38 1HB GLU 38 -16.457 2.929 -5.563 310 HB3 GLU 38 2HB GLU 38 -16.528 4.597 -5.015 311 HG2 GLU 38 1HG GLU 38 -18.035 5.059 -6.972 312 HG3 GLU 38 2HG GLU 38 -18.094 3.315 -7.232 313 H GLY 39 H GLY 39 -15.198 5.565 -9.025 314 HA2 GLY 39 1HA GLY 39 -16.184 7.934 -9.040 315 HA3 GLY 39 2HA GLY 39 -15.052 8.198 -7.719 316 H TYR 40 H TYR 40 -14.587 9.910 -9.531 317 HA TYR 40 HA TYR 40 -12.559 8.795 -11.352 318 HB2 TYR 40 1HB TYR 40 -14.262 11.277 -11.612 319 HB3 TYR 40 2HB TYR 40 -12.929 10.884 -12.693 320 HD1 TYR 40 HD2 TYR 40 -16.325 9.940 -11.639 321 HD2 TYR 40 HD1 TYR 40 -13.133 9.157 -14.339 322 HE1 TYR 40 HE2 TYR 40 -17.832 8.567 -13.015 323 HE2 TYR 40 HE1 TYR 40 -14.628 7.785 -15.717 324 HH TYR 40 HH TYR 40 -16.668 6.516 -15.476 325 H ASN 41 H ASN 41 -10.704 10.159 -11.791 326 HA ASN 41 HA ASN 41 -10.106 12.069 -9.649 327 HB2 ASN 41 1HB ASN 41 -7.692 11.264 -9.795 328 HB3 ASN 41 2HB ASN 41 -8.831 10.180 -9.011 329 HD21 ASN 41 2HD2 ASN 41 -9.417 8.263 -10.035 330 HD22 ASN 41 1HD2 ASN 41 -8.496 7.609 -11.342 331 HA PRO 42 HA PRO 42 -9.431 14.015 -13.791 332 HB2 PRO 42 1HB PRO 42 -10.914 16.270 -12.702 333 HB3 PRO 42 2HB PRO 42 -11.283 15.279 -14.115 334 HG2 PRO 42 1HG PRO 42 -12.773 15.222 -11.846 335 HG3 PRO 42 2HG PRO 42 -12.585 13.819 -12.915 336 HD2 PRO 42 1HD PRO 42 -11.192 14.434 -10.333 337 HD3 PRO 42 2HD PRO 42 -11.852 12.889 -10.919 338 H SER 43 H SER 43 -9.528 15.631 -10.639 339 HA SER 43 HA SER 43 -7.208 17.252 -11.387 340 HB2 SER 43 1HB SER 43 -7.913 18.429 -9.174 341 HB3 SER 43 2HB SER 43 -8.922 18.647 -10.606 342 HG SER 43 HG SER 43 -9.620 17.636 -8.244 343 H ILE 44 H ILE 44 -7.649 14.346 -10.115 344 HA ILE 44 HA ILE 44 -5.809 14.694 -7.848 345 HB ILE 44 HB ILE 44 -7.607 12.337 -8.445 346 HG12 ILE 44 1HG1 ILE 44 -7.965 14.533 -6.392 347 HG13 ILE 44 2HG1 ILE 44 -8.853 14.429 -7.908 348 HG21 ILE 44 1HG2 ILE 44 -5.640 11.742 -7.140 349 HG22 ILE 44 2HG2 ILE 44 -7.092 11.668 -6.141 350 HG23 ILE 44 3HG2 ILE 44 -5.990 13.036 -5.994 351 HD11 ILE 44 3HD1 ILE 44 -10.179 13.612 -6.053 352 HD12 ILE 44 1HD1 ILE 44 -8.937 12.420 -5.672 353 HD13 ILE 44 2HD1 ILE 44 -9.826 12.312 -7.192 354 H ASN 45 H ASN 45 -3.777 14.076 -8.143 355 HA ASN 45 HA ASN 45 -3.114 12.408 -10.433 356 HB2 ASN 45 1HB ASN 45 -1.835 14.475 -10.091 357 HB3 ASN 45 2HB ASN 45 -1.313 13.896 -8.513 358 HD21 ASN 45 2HD2 ASN 45 0.835 14.094 -9.156 359 HD22 ASN 45 1HD2 ASN 45 1.583 12.934 -10.215 360 H VAL 46 H VAL 46 -3.281 10.322 -10.106 361 HA VAL 46 HA VAL 46 -3.145 9.096 -7.554 362 HB VAL 46 HB VAL 46 -3.374 6.976 -8.747 363 HG11 VAL 46 1HG1 VAL 46 -5.366 8.309 -8.335 364 HG12 VAL 46 2HG1 VAL 46 -5.507 7.443 -9.865 365 HG13 VAL 46 3HG1 VAL 46 -5.127 9.166 -9.858 366 HG21 VAL 46 3HG2 VAL 46 -3.507 6.933 -11.200 367 HG22 VAL 46 1HG2 VAL 46 -1.905 7.414 -10.638 368 HG23 VAL 46 2HG2 VAL 46 -3.028 8.630 -11.249 369 H ASN 47 H ASN 47 -0.721 10.071 -9.679 370 HA ASN 47 HA ASN 47 1.183 8.028 -8.938 371 HB2 ASN 47 1HB ASN 47 1.416 10.572 -10.542 372 HB3 ASN 47 2HB ASN 47 2.822 9.597 -10.122 373 HD21 ASN 47 2HD2 ASN 47 -0.048 9.805 -12.051 374 HD22 ASN 47 1HD2 ASN 47 0.273 8.430 -13.049 375 H GLU 48 H GLU 48 -0.027 10.837 -7.542 376 HA GLU 48 HA GLU 48 2.311 11.053 -5.781 377 HB2 GLU 48 1HB GLU 48 0.046 12.958 -6.333 378 HB3 GLU 48 2HB GLU 48 1.140 13.162 -4.970 379 HG2 GLU 48 1HG GLU 48 3.031 13.309 -6.481 380 HG3 GLU 48 2HG GLU 48 1.965 13.043 -7.860 381 H LEU 49 H LEU 49 -0.946 9.994 -5.973 382 HA LEU 49 HA LEU 49 -1.392 9.697 -3.174 383 HB2 LEU 49 1HB LEU 49 -2.459 8.048 -5.473 384 HB3 LEU 49 2HB LEU 49 -3.072 8.023 -3.831 385 HG LEU 49 HG LEU 49 -3.173 10.386 -5.708 386 HD11 LEU 49 1HD1 LEU 49 -5.333 8.531 -4.725 387 HD12 LEU 49 2HD1 LEU 49 -4.686 8.603 -6.364 388 HD13 LEU 49 3HD1 LEU 49 -5.584 9.973 -5.709 389 HD21 LEU 49 3HD2 LEU 49 -4.568 11.422 -3.990 390 HD22 LEU 49 1HD2 LEU 49 -2.952 11.075 -3.375 391 HD23 LEU 49 2HD2 LEU 49 -4.306 10.035 -2.933 392 H PHE 50 H PHE 50 -0.576 8.200 -1.785 393 HA PHE 50 HA PHE 50 1.069 6.065 -2.971 394 HB2 PHE 50 1HB PHE 50 1.730 7.784 -0.576 395 HB3 PHE 50 2HB PHE 50 2.627 6.344 -1.037 396 HD1 PHE 50 HD1 PHE 50 3.198 6.426 -3.730 397 HD2 PHE 50 HD2 PHE 50 2.771 9.740 -1.097 398 HE1 PHE 50 HE1 PHE 50 4.623 7.778 -5.209 399 HE2 PHE 50 HE2 PHE 50 4.194 11.101 -2.574 400 HZ PHE 50 HZ PHE 50 5.122 10.119 -4.633 401 H ALA 51 H ALA 51 1.361 4.176 -1.747 402 HA ALA 51 HA ALA 51 -0.527 3.808 0.486 403 HB1 ALA 51 3HB ALA 51 0.744 1.730 -1.305 404 HB2 ALA 51 1HB ALA 51 -0.931 2.277 -1.383 405 HB3 ALA 51 2HB ALA 51 -0.355 1.401 0.036 406 H TYR 52 H TYR 52 0.344 3.387 2.461 407 HA TYR 52 HA TYR 52 3.254 3.010 2.558 408 HB2 TYR 52 1HB TYR 52 3.240 4.606 4.540 409 HB3 TYR 52 2HB TYR 52 3.015 5.330 2.953 410 HD1 TYR 52 HD2 TYR 52 0.751 6.094 2.261 411 HD2 TYR 52 HD1 TYR 52 1.547 4.756 6.219 412 HE1 TYR 52 HE2 TYR 52 -1.323 7.158 3.030 413 HE2 TYR 52 HE1 TYR 52 -0.529 5.820 6.998 414 HH TYR 52 HH TYR 52 -2.923 6.958 4.846 415 H VAL 53 H VAL 53 4.042 1.766 4.147 416 HA VAL 53 HA VAL 53 2.121 0.681 6.090 417 HB VAL 53 HB VAL 53 3.886 -1.161 6.388 418 HG11 VAL 53 1HG1 VAL 53 2.381 -0.965 3.780 419 HG12 VAL 53 2HG1 VAL 53 1.735 -1.546 5.315 420 HG13 VAL 53 3HG1 VAL 53 3.007 -2.450 4.496 421 HG21 VAL 53 3HG2 VAL 53 5.311 -1.602 4.440 422 HG22 VAL 53 1HG2 VAL 53 5.720 -0.066 5.204 423 HG23 VAL 53 2HG2 VAL 53 4.782 -0.086 3.712 424 H ASP 54 H ASP 54 2.365 1.348 8.092 425 HA ASP 54 HA ASP 54 4.613 3.073 8.685 426 HB2 ASP 54 1HB ASP 54 2.190 3.615 9.255 427 HB3 ASP 54 2HB ASP 54 2.318 2.403 10.527 428 H LEU 55 H LEU 55 6.394 1.915 9.095 429 HA LEU 55 HA LEU 55 6.297 -0.295 10.992 430 HB2 LEU 55 1HB LEU 55 8.425 0.826 9.193 431 HB3 LEU 55 2HB LEU 55 8.861 -0.226 10.524 432 HG LEU 55 HG LEU 55 7.468 -2.020 9.559 433 HD11 LEU 55 1HD1 LEU 55 7.078 -0.117 7.257 434 HD12 LEU 55 2HD1 LEU 55 5.829 -0.653 8.380 435 HD13 LEU 55 3HD1 LEU 55 6.597 -1.812 7.295 436 HD21 LEU 55 3HD2 LEU 55 9.843 -1.876 9.023 437 HD22 LEU 55 1HD2 LEU 55 9.472 -0.852 7.637 438 HD23 LEU 55 2HD2 LEU 55 8.916 -2.526 7.670 439 H SER 56 H SER 56 5.586 1.086 12.714 440 HA SER 56 HA SER 56 6.857 3.387 13.588 441 HB2 SER 56 1HB SER 56 5.455 1.387 15.362 442 HB3 SER 56 2HB SER 56 5.620 3.121 15.629 443 HG SER 56 HG SER 56 4.485 2.919 13.286 444 H GLY 57 H GLY 57 7.502 0.023 14.451 445 HA2 GLY 57 1HA GLY 57 9.699 0.967 16.179 446 HA3 GLY 57 2HA GLY 57 8.813 -0.527 16.440 447 H SER 58 H SER 58 11.434 -0.752 16.480 448 HA SER 58 HA SER 58 12.421 -1.458 13.821 449 HB2 SER 58 1HB SER 58 13.819 -1.643 16.502 450 HB3 SER 58 2HB SER 58 14.571 -1.743 14.909 451 HG SER 58 HG SER 58 13.067 0.517 15.293 452 H GLU 59 H GLU 59 10.248 -2.932 14.959 453 HA GLU 59 HA GLU 59 10.952 -5.280 16.292 454 HB2 GLU 59 1HB GLU 59 8.637 -4.861 14.396 455 HB3 GLU 59 2HB GLU 59 8.749 -6.082 15.656 456 HG2 GLU 59 1HG GLU 59 8.707 -3.111 16.125 457 HG3 GLU 59 2HG GLU 59 7.320 -4.188 16.284 458 HA PRO 60 HA PRO 60 12.894 -7.265 12.763 459 HB2 PRO 60 1HB PRO 60 14.198 -9.151 14.146 460 HB3 PRO 60 2HB PRO 60 14.725 -7.464 14.164 461 HG2 PRO 60 1HG PRO 60 13.164 -8.984 16.213 462 HG3 PRO 60 2HG PRO 60 14.472 -7.811 16.445 463 HD2 PRO 60 1HD PRO 60 11.790 -7.231 16.692 464 HD3 PRO 60 2HD PRO 60 13.047 -6.032 16.331 465 H GLY 61 H GLY 61 12.501 -9.142 11.602 466 HA2 GLY 61 1HA GLY 61 11.868 -11.508 11.666 467 HA3 GLY 61 2HA GLY 61 10.656 -11.073 12.862 468 H GLU 62 H GLU 62 9.635 -12.450 10.969 469 HA GLU 62 HA GLU 62 8.714 -10.768 8.786 470 HB2 GLU 62 1HB GLU 62 9.281 -13.187 8.484 471 HB3 GLU 62 2HB GLU 62 7.916 -13.593 9.512 472 HG2 GLU 62 1HG GLU 62 6.386 -12.610 7.914 473 HG3 GLU 62 2HG GLU 62 7.741 -12.117 6.898 474 H HIS 63 H HIS 63 7.174 -9.329 9.243 475 HA HIS 63 HA HIS 63 5.085 -10.089 11.189 476 HB2 HIS 63 1HB HIS 63 6.251 -7.349 10.645 477 HB3 HIS 63 2HB HIS 63 4.857 -7.648 11.673 478 HD1 HIS 63 HD1 HIS 63 5.297 -8.393 14.055 479 HD2 HIS 63 HD2 HIS 63 8.734 -8.238 11.719 480 HE1 HIS 63 HE1 HIS 63 7.219 -8.640 15.656 481 HE2 HIS 63 HE2 HIS 63 9.271 -8.742 14.198 482 H ASP 64 H ASP 64 2.992 -9.056 10.864 483 HA ASP 64 HA ASP 64 2.377 -8.713 8.017 484 HB2 ASP 64 1HB ASP 64 0.518 -8.949 10.401 485 HB3 ASP 64 2HB ASP 64 0.013 -8.852 8.719 486 H TYR 65 H TYR 65 2.002 -6.744 7.176 487 HA TYR 65 HA TYR 65 1.735 -4.528 9.096 488 HB2 TYR 65 1HB TYR 65 3.153 -4.544 6.426 489 HB3 TYR 65 2HB TYR 65 2.915 -3.114 7.432 490 HD1 TYR 65 HD2 TYR 65 3.924 -3.088 9.748 491 HD2 TYR 65 HD1 TYR 65 4.938 -6.024 6.843 492 HE1 TYR 65 HE2 TYR 65 5.938 -3.659 11.035 493 HE2 TYR 65 HE1 TYR 65 6.950 -6.608 8.127 494 HH TYR 65 HH TYR 65 8.439 -5.547 9.806 495 H GLU 66 H GLU 66 0.189 -3.101 8.845 496 HA GLU 66 HA GLU 66 -2.019 -3.771 7.145 497 HB2 GLU 66 1HB GLU 66 -1.690 -1.315 8.870 498 HB3 GLU 66 2HB GLU 66 -3.192 -2.066 8.343 499 HG2 GLU 66 1HG GLU 66 -2.910 -3.891 9.803 500 HG3 GLU 66 2HG GLU 66 -1.227 -3.473 10.122 501 H VAL 67 H VAL 67 -2.249 -3.069 5.110 502 HA VAL 67 HA VAL 67 -0.558 -1.028 4.037 503 HB VAL 67 HB VAL 67 -2.976 -2.360 2.795 504 HG11 VAL 67 1HG1 VAL 67 -0.786 -0.710 1.527 505 HG12 VAL 67 2HG1 VAL 67 -2.469 -0.224 1.729 506 HG13 VAL 67 3HG1 VAL 67 -2.062 -1.566 0.660 507 HG21 VAL 67 3HG2 VAL 67 -1.332 -3.732 1.600 508 HG22 VAL 67 1HG2 VAL 67 -1.213 -3.951 3.346 509 HG23 VAL 67 2HG2 VAL 67 -0.030 -2.953 2.500 510 H LYS 68 H LYS 68 -0.851 0.975 4.691 511 HA LYS 68 HA LYS 68 -3.566 2.049 4.920 512 HB2 LYS 68 1HB LYS 68 -0.888 3.065 5.881 513 HB3 LYS 68 2HB LYS 68 -2.367 4.009 5.980 514 HG2 LYS 68 1HG LYS 68 -3.347 2.436 7.494 515 HG3 LYS 68 2HG LYS 68 -2.000 1.316 7.276 516 HD2 LYS 68 1HD LYS 68 -0.495 2.756 8.395 517 HD3 LYS 68 2HD LYS 68 -1.625 4.107 8.332 518 HE2 LYS 68 1HE LYS 68 -1.495 3.135 10.573 519 HE3 LYS 68 2HE LYS 68 -3.108 2.973 9.882 520 HZ1 LYS 68 3HZ LYS 68 -1.045 0.832 10.008 521 HZ2 LYS 68 1HZ LYS 68 -2.594 0.672 9.329 522 HZ3 LYS 68 2HZ LYS 68 -2.424 0.951 10.989 523 H VAL 69 H VAL 69 -4.337 3.340 3.380 524 HA VAL 69 HA VAL 69 -2.494 4.237 1.278 525 HB VAL 69 HB VAL 69 -5.515 4.029 1.200 526 HG11 VAL 69 1HG1 VAL 69 -4.648 5.700 -0.346 527 HG12 VAL 69 2HG1 VAL 69 -5.264 4.298 -1.220 528 HG13 VAL 69 3HG1 VAL 69 -3.526 4.516 -1.015 529 HG21 VAL 69 3HG2 VAL 69 -4.495 1.828 1.404 530 HG22 VAL 69 1HG2 VAL 69 -3.428 2.183 0.045 531 HG23 VAL 69 2HG2 VAL 69 -5.168 2.056 -0.211 532 H GLU 70 H GLU 70 -2.424 6.402 0.649 533 HA GLU 70 HA GLU 70 -3.074 8.436 2.464 534 HB2 GLU 70 1HB GLU 70 -2.611 8.514 -0.523 535 HB3 GLU 70 2HB GLU 70 -2.819 9.960 0.454 536 HG2 GLU 70 1HG GLU 70 -0.695 7.929 1.043 537 HG3 GLU 70 2HG GLU 70 -0.447 9.251 -0.095 538 HA PRO 71 HA PRO 71 -7.506 8.205 1.986 539 HB2 PRO 71 1HB PRO 71 -8.025 10.511 3.415 540 HB3 PRO 71 2HB PRO 71 -7.790 8.914 4.130 541 HG2 PRO 71 1HG PRO 71 -5.852 11.169 3.845 542 HG3 PRO 71 2HG PRO 71 -6.084 10.053 5.204 543 HD2 PRO 71 1HD PRO 71 -4.051 9.766 3.476 544 HD3 PRO 71 2HD PRO 71 -4.877 8.359 4.180 545 H ILE 72 H ILE 72 -8.060 8.652 -0.077 546 HA ILE 72 HA ILE 72 -7.625 11.257 -1.236 547 HB ILE 72 HB ILE 72 -9.362 9.062 -2.379 548 HG12 ILE 72 1HG1 ILE 72 -7.142 8.764 -3.820 549 HG13 ILE 72 2HG1 ILE 72 -6.387 9.338 -2.336 550 HG21 ILE 72 1HG2 ILE 72 -9.639 11.252 -3.390 551 HG22 ILE 72 2HG2 ILE 72 -8.848 10.147 -4.514 552 HG23 ILE 72 3HG2 ILE 72 -7.900 11.366 -3.663 553 HD11 ILE 72 3HD1 ILE 72 -8.182 6.934 -2.587 554 HD12 ILE 72 1HD1 ILE 72 -7.422 7.505 -1.102 555 HD13 ILE 72 2HD1 ILE 72 -6.426 6.914 -2.431 556 HA PRO 73 HA PRO 73 -11.407 12.506 0.724 557 HB2 PRO 73 1HB PRO 73 -11.046 15.149 0.559 558 HB3 PRO 73 2HB PRO 73 -10.044 14.152 1.621 559 HG2 PRO 73 1HG PRO 73 -9.409 15.287 -1.068 560 HG3 PRO 73 2HG PRO 73 -8.375 15.151 0.365 561 HD2 PRO 73 1HD PRO 73 -8.349 13.404 -1.788 562 HD3 PRO 73 2HD PRO 73 -7.737 13.032 -0.165 563 H ASN 74 H ASN 74 -11.195 11.968 -2.231 564 HA ASN 74 HA ASN 74 -13.636 13.387 -2.967 565 HB2 ASN 74 1HB ASN 74 -11.154 13.380 -4.694 566 HB3 ASN 74 2HB ASN 74 -12.745 13.892 -5.242 567 HD21 ASN 74 2HD2 ASN 74 -13.666 15.777 -4.345 568 HD22 ASN 74 1HD2 ASN 74 -12.654 17.001 -3.637 569 H ILE 75 H ILE 75 -12.088 10.517 -2.687 570 HA ILE 75 HA ILE 75 -13.688 9.313 -4.830 571 HB ILE 75 HB ILE 75 -10.841 8.562 -4.131 572 HG12 ILE 75 1HG1 ILE 75 -12.059 9.629 -6.690 573 HG13 ILE 75 2HG1 ILE 75 -11.037 10.539 -5.583 574 HG21 ILE 75 1HG2 ILE 75 -11.048 6.855 -5.886 575 HG22 ILE 75 2HG2 ILE 75 -12.758 7.253 -6.060 576 HG23 ILE 75 3HG2 ILE 75 -12.163 6.564 -4.549 577 HD11 ILE 75 3HD1 ILE 75 -9.180 9.029 -6.063 578 HD12 ILE 75 1HD1 ILE 75 -9.792 9.804 -7.523 579 HD13 ILE 75 2HD1 ILE 75 -10.207 8.126 -7.176 580 H LYS 76 H LYS 76 -14.830 7.582 -4.249 581 HA LYS 76 HA LYS 76 -14.833 6.810 -1.464 582 HB2 LYS 76 1HB LYS 76 -16.943 7.165 -2.621 583 HB3 LYS 76 2HB LYS 76 -16.520 5.953 -3.819 584 HG2 LYS 76 1HG LYS 76 -16.781 4.193 -2.281 585 HG3 LYS 76 2HG LYS 76 -16.805 5.302 -0.904 586 HD2 LYS 76 1HD LYS 76 -18.908 6.196 -1.569 587 HD3 LYS 76 2HD LYS 76 -18.859 5.323 -3.099 588 HE2 LYS 76 1HE LYS 76 -18.977 4.021 -0.385 589 HE3 LYS 76 2HE LYS 76 -20.380 4.317 -1.411 590 HZ1 LYS 76 3HZ LYS 76 -19.703 2.095 -1.758 591 HZ2 LYS 76 1HZ LYS 76 -18.078 2.532 -1.969 592 HZ3 LYS 76 2HZ LYS 76 -19.229 2.953 -3.144 593 H ILE 77 H ILE 77 -13.491 5.304 -0.756 594 HA ILE 77 HA ILE 77 -12.160 3.568 -2.642 595 HB ILE 77 HB ILE 77 -10.775 4.520 -0.927 596 HG12 ILE 77 1HG1 ILE 77 -11.176 1.579 -0.347 597 HG13 ILE 77 2HG1 ILE 77 -10.252 2.224 -1.700 598 HG21 ILE 77 1HG2 ILE 77 -12.540 3.147 1.091 599 HG22 ILE 77 2HG2 ILE 77 -12.471 4.882 0.782 600 HG23 ILE 77 3HG2 ILE 77 -11.065 4.049 1.443 601 HD11 ILE 77 3HD1 ILE 77 -8.692 3.260 -0.139 602 HD12 ILE 77 1HD1 ILE 77 -8.797 1.517 0.107 603 HD13 ILE 77 2HD1 ILE 77 -9.619 2.616 1.217 604 H VAL 78 H VAL 78 -12.651 1.543 -3.087 605 HA VAL 78 HA VAL 78 -15.045 0.463 -1.815 606 HB VAL 78 HB VAL 78 -13.615 -0.555 -4.270 607 HG11 VAL 78 1HG1 VAL 78 -15.095 -2.188 -3.263 608 HG12 VAL 78 2HG1 VAL 78 -15.773 -1.599 -4.782 609 HG13 VAL 78 3HG1 VAL 78 -16.410 -1.013 -3.247 610 HG21 VAL 78 3HG2 VAL 78 -15.308 0.650 -5.573 611 HG22 VAL 78 1HG2 VAL 78 -14.288 1.744 -4.639 612 HG23 VAL 78 2HG2 VAL 78 -15.921 1.376 -4.086 613 H GLU 79 H GLU 79 -11.798 -0.685 -2.775 614 HA GLU 79 HA GLU 79 -11.786 -2.530 -0.532 615 HB2 GLU 79 1HB GLU 79 -13.024 -3.631 -2.485 616 HB3 GLU 79 2HB GLU 79 -11.471 -3.644 -3.312 617 HG2 GLU 79 1HG GLU 79 -10.527 -4.993 -1.500 618 HG3 GLU 79 2HG GLU 79 -12.101 -5.005 -0.704 619 H ILE 80 H ILE 80 -9.713 -3.520 -0.203 620 HA ILE 80 HA ILE 80 -7.516 -2.311 -1.745 621 HB ILE 80 HB ILE 80 -7.478 -2.998 1.203 622 HG12 ILE 80 1HG1 ILE 80 -7.505 -0.284 -0.141 623 HG13 ILE 80 2HG1 ILE 80 -8.860 -1.009 0.717 624 HG21 ILE 80 1HG2 ILE 80 -5.406 -1.663 -0.533 625 HG22 ILE 80 2HG2 ILE 80 -5.309 -3.288 0.146 626 HG23 ILE 80 3HG2 ILE 80 -5.295 -1.884 1.213 627 HD11 ILE 80 3HD1 ILE 80 -7.729 0.643 2.088 628 HD12 ILE 80 1HD1 ILE 80 -6.213 -0.244 1.926 629 HD13 ILE 80 2HD1 ILE 80 -7.569 -0.969 2.788 630 H SER 81 H SER 81 -6.082 -3.733 -2.595 631 HA SER 81 HA SER 81 -5.978 -6.440 -1.487 632 HB2 SER 81 1HB SER 81 -7.563 -6.411 -3.418 633 HB3 SER 81 2HB SER 81 -6.246 -5.848 -4.445 634 HG SER 81 HG SER 81 -6.870 -8.329 -3.860 635 HA PRO 82 HA PRO 82 -4.822 -7.368 -0.530 636 HB2 PRO 82 1HB PRO 82 -2.395 -7.580 0.922 637 HB3 PRO 82 2HB PRO 82 -3.128 -8.805 -0.113 638 HG2 PRO 82 1HG PRO 82 -0.725 -7.492 -0.611 639 HG3 PRO 82 2HG PRO 82 -1.680 -8.381 -1.808 640 HD2 PRO 82 1HD PRO 82 -1.543 -5.441 -1.289 641 HD3 PRO 82 2HD PRO 82 -1.711 -6.311 -2.830 642 H ARG 83 H ARG 83 -5.447 -6.901 1.610 643 HA ARG 83 HA ARG 83 -5.167 -4.163 2.414 644 HB2 ARG 83 1HB ARG 83 -6.552 -6.550 3.607 645 HB3 ARG 83 2HB ARG 83 -6.460 -5.018 4.466 646 HG2 ARG 83 1HG ARG 83 -7.648 -3.898 2.707 647 HG3 ARG 83 2HG ARG 83 -7.626 -5.358 1.715 648 HD2 ARG 83 1HD ARG 83 -8.916 -5.238 4.428 649 HD3 ARG 83 2HD ARG 83 -9.782 -4.866 2.939 650 HE ARG 83 HE ARG 83 -8.697 -7.312 2.453 651 HH11 ARG 83 1HH1 ARG 83 -10.641 -6.019 5.052 652 HH12 ARG 83 2HH1 ARG 83 -11.495 -7.504 5.342 653 HH21 ARG 83 1HH2 ARG 83 -9.842 -9.266 2.780 654 HH22 ARG 83 2HH2 ARG 83 -11.048 -9.358 4.035 655 H VAL 84 H VAL 84 -3.793 -7.220 3.441 656 HA VAL 84 HA VAL 84 -1.966 -5.722 5.196 657 HB VAL 84 HB VAL 84 -3.151 -8.449 5.777 658 HG11 VAL 84 1HG1 VAL 84 -0.828 -8.330 6.494 659 HG12 VAL 84 2HG1 VAL 84 -1.909 -8.327 7.888 660 HG13 VAL 84 3HG1 VAL 84 -1.155 -6.825 7.353 661 HG21 VAL 84 3HG2 VAL 84 -4.157 -7.361 7.727 662 HG22 VAL 84 1HG2 VAL 84 -4.714 -6.631 6.220 663 HG23 VAL 84 2HG2 VAL 84 -3.498 -5.812 7.200 664 H VAL 85 H VAL 85 0.132 -6.076 4.781 665 HA VAL 85 HA VAL 85 0.805 -8.373 3.061 666 HB VAL 85 HB VAL 85 2.758 -7.028 2.264 667 HG11 VAL 85 1HG1 VAL 85 0.742 -7.228 0.916 668 HG12 VAL 85 2HG1 VAL 85 1.460 -5.629 0.728 669 HG13 VAL 85 3HG1 VAL 85 0.034 -5.841 1.743 670 HG21 VAL 85 3HG2 VAL 85 2.720 -4.599 2.572 671 HG22 VAL 85 1HG2 VAL 85 2.901 -5.441 4.111 672 HG23 VAL 85 2HG2 VAL 85 1.340 -4.758 3.659 673 H THR 86 H THR 86 2.330 -9.745 3.737 674 HA THR 86 HA THR 86 3.493 -9.310 6.365 675 HB THR 86 HB THR 86 3.778 -11.759 4.616 676 HG1 THR 86 HG1 THR 86 1.800 -11.344 6.640 677 HG21 THR 86 3HG2 THR 86 5.298 -11.639 6.526 678 HG22 THR 86 1HG2 THR 86 4.088 -12.899 6.769 679 HG23 THR 86 2HG2 THR 86 3.932 -11.355 7.607 680 H LEU 87 H LEU 87 5.422 -8.380 6.530 681 HA LEU 87 HA LEU 87 7.339 -8.695 4.310 682 HB2 LEU 87 1HB LEU 87 7.054 -6.319 6.153 683 HB3 LEU 87 2HB LEU 87 8.199 -6.473 4.837 684 HG LEU 87 HG LEU 87 5.199 -6.369 4.505 685 HD11 LEU 87 1HD1 LEU 87 6.094 -4.247 5.306 686 HD12 LEU 87 2HD1 LEU 87 5.573 -4.124 3.626 687 HD13 LEU 87 3HD1 LEU 87 7.289 -4.254 4.010 688 HD21 LEU 87 3HD2 LEU 87 6.303 -7.625 2.734 689 HD22 LEU 87 1HD2 LEU 87 7.431 -6.293 2.479 690 HD23 LEU 87 2HD2 LEU 87 5.716 -6.075 2.130 691 H GLN 88 H GLN 88 9.413 -9.240 4.820 692 HA GLN 88 HA GLN 88 9.855 -10.065 7.588 693 HB2 GLN 88 1HB GLN 88 10.282 -11.703 5.800 694 HB3 GLN 88 2HB GLN 88 11.488 -10.629 5.105 695 HG2 GLN 88 1HG GLN 88 12.823 -10.819 7.149 696 HG3 GLN 88 2HG GLN 88 11.619 -11.915 7.824 697 HE21 GLN 88 2HE2 GLN 88 14.445 -12.345 7.270 698 HE22 GLN 88 1HE2 GLN 88 14.527 -13.700 6.203 699 H LEU 89 H LEU 89 10.807 -8.693 8.912 700 HA LEU 89 HA LEU 89 12.715 -6.751 7.827 701 HB2 LEU 89 1HB LEU 89 11.284 -6.895 10.469 702 HB3 LEU 89 2HB LEU 89 12.596 -5.777 10.163 703 HG LEU 89 HG LEU 89 9.893 -5.834 8.861 704 HD11 LEU 89 1HD1 LEU 89 10.034 -4.780 11.062 705 HD12 LEU 89 2HD1 LEU 89 9.722 -3.589 9.799 706 HD13 LEU 89 3HD1 LEU 89 11.340 -3.744 10.486 707 HD21 LEU 89 3HD2 LEU 89 10.649 -3.919 7.527 708 HD22 LEU 89 1HD2 LEU 89 11.552 -5.385 7.140 709 HD23 LEU 89 2HD2 LEU 89 12.283 -4.139 8.151 710 H GLU 90 H GLU 90 14.787 -6.853 8.222 711 HA GLU 90 HA GLU 90 15.708 -8.522 10.465 712 HB2 GLU 90 1HB GLU 90 17.109 -7.900 7.850 713 HB3 GLU 90 2HB GLU 90 17.881 -8.691 9.219 714 HG2 GLU 90 1HG GLU 90 16.125 -10.477 9.041 715 HG3 GLU 90 2HG GLU 90 15.622 -9.725 7.527 716 H HIS 91 H HIS 91 17.905 -7.609 11.304 717 HA HIS 91 HA HIS 91 17.482 -4.776 11.719 718 HB2 HIS 91 1HB HIS 91 19.315 -6.801 12.945 719 HB3 HIS 91 2HB HIS 91 19.656 -5.084 13.133 720 HD1 HIS 91 HD1 HIS 91 17.302 -3.726 13.968 721 HD2 HIS 91 HD2 HIS 91 17.820 -7.719 14.997 722 HE1 HIS 91 HE1 HIS 91 15.799 -4.114 15.947 723 HE2 HIS 91 HE2 HIS 91 16.279 -6.485 16.669 724 H HIS 92 H HIS 92 19.424 -3.316 11.617 725 HA HIS 92 HA HIS 92 20.231 -3.020 8.983 726 HB2 HIS 92 1HB HIS 92 20.256 -1.253 10.769 727 HB3 HIS 92 2HB HIS 92 21.718 -1.991 11.410 728 HD1 HIS 92 HD1 HIS 92 20.639 0.609 9.212 729 HD2 HIS 92 HD2 HIS 92 23.876 -1.995 9.329 730 HE1 HIS 92 HE1 HIS 92 22.392 1.638 7.726 731 HE2 HIS 92 HE2 HIS 92 24.401 0.122 7.950 732 H HIS 93 H HIS 93 22.030 -4.382 11.728 733 HA HIS 93 HA HIS 93 23.326 -6.267 10.001 734 HB2 HIS 93 1HB HIS 93 24.729 -4.184 9.716 735 HB3 HIS 93 2HB HIS 93 25.120 -4.295 11.430 736 HD1 HIS 93 HD1 HIS 93 25.627 -6.117 8.174 737 HD2 HIS 93 HD2 HIS 93 27.092 -6.134 12.071 738 HE1 HIS 93 HE1 HIS 93 27.631 -7.643 8.143 739 HE2 HIS 93 HE2 HIS 93 28.488 -7.666 10.513 740 H HIS 94 H HIS 94 23.369 -8.086 11.138 741 HA HIS 94 HA HIS 94 23.601 -7.871 14.069 742 HB2 HIS 94 1HB HIS 94 22.506 -10.006 14.269 743 HB3 HIS 94 2HB HIS 94 21.531 -8.993 13.217 744 HD1 HIS 94 HD1 HIS 94 23.111 -12.264 13.417 745 HD2 HIS 94 HD2 HIS 94 21.829 -9.715 10.389 746 HE1 HIS 94 HE1 HIS 94 22.923 -13.694 11.356 747 HE2 HIS 94 HE2 HIS 94 21.913 -12.177 9.611 748 H HIS 95 H HIS 95 24.832 -9.629 15.135 749 HA HIS 95 HA HIS 95 27.388 -9.891 13.827 750 HB2 HIS 95 1HB HIS 95 26.450 -10.978 16.493 751 HB3 HIS 95 2HB HIS 95 28.118 -10.939 15.930 752 HD1 HIS 95 HD1 HIS 95 25.423 -8.797 17.346 753 HD2 HIS 95 HD2 HIS 95 29.339 -8.395 16.012 754 HE1 HIS 95 HE1 HIS 95 26.181 -6.538 18.146 755 HE2 HIS 95 HE2 HIS 95 28.455 -6.222 17.106 756 H HIS 96 H HIS 96 28.522 -12.084 13.963 757 HA HIS 96 HA HIS 96 26.668 -14.100 12.886 758 HB2 HIS 96 1HB HIS 96 29.655 -13.824 12.468 759 HB3 HIS 96 2HB HIS 96 28.624 -15.047 11.731 760 HD1 HIS 96 HD1 HIS 96 30.008 -11.764 11.126 761 HD2 HIS 96 HD2 HIS 96 26.565 -13.807 9.988 762 HE1 HIS 96 HE1 HIS 96 29.106 -10.520 9.136 763 HE2 HIS 96 HE2 HIS 96 27.082 -11.831 8.396 Start of MODEL 16 1 H1 SER 1 1H SER 1 -3.620 -1.425 -18.789 2 H2 SER 1 2H SER 1 -3.362 -2.556 -17.556 3 H3 SER 1 3H SER 1 -3.924 -1.001 -17.176 4 HA SER 1 HA SER 1 -5.378 -3.069 -18.712 5 HB2 SER 1 1HB SER 1 -5.909 -1.900 -15.967 6 HB3 SER 1 2HB SER 1 -6.882 -3.127 -16.779 7 HG SER 1 HG SER 1 -5.418 -4.046 -15.273 8 H SER 2 H SER 2 -6.527 -2.134 -20.255 9 HA SER 2 HA SER 2 -7.447 0.612 -19.955 10 HB2 SER 2 1HB SER 2 -7.831 -1.313 -22.263 11 HB3 SER 2 2HB SER 2 -8.140 0.423 -22.285 12 HG SER 2 HG SER 2 -5.913 0.766 -21.930 13 H GLN 3 H GLN 3 -8.913 0.351 -18.287 14 HA GLN 3 HA GLN 3 -10.946 -1.646 -18.288 15 HB2 GLN 3 1HB GLN 3 -9.900 -0.511 -16.275 16 HB3 GLN 3 2HB GLN 3 -10.871 0.900 -16.665 17 HG2 GLN 3 1HG GLN 3 -12.901 -0.365 -16.330 18 HG3 GLN 3 2HG GLN 3 -11.966 -1.831 -16.036 19 HE21 GLN 3 2HE2 GLN 3 -13.868 -0.482 -14.310 20 HE22 GLN 3 1HE2 GLN 3 -13.021 -0.084 -12.857 21 H THR 4 H THR 4 -12.964 -1.581 -19.096 22 HA THR 4 HA THR 4 -13.646 0.513 -20.924 23 HB THR 4 HB THR 4 -15.461 -1.690 -19.936 24 HG1 THR 4 HG1 THR 4 -13.256 -1.716 -21.677 25 HG21 THR 4 3HG2 THR 4 -15.372 -0.139 -22.529 26 HG22 THR 4 1HG2 THR 4 -16.567 0.053 -21.248 27 HG23 THR 4 2HG2 THR 4 -16.487 -1.455 -22.158 28 H LEU 5 H LEU 5 -14.951 -0.574 -17.806 29 HA LEU 5 HA LEU 5 -16.670 1.751 -17.642 30 HB2 LEU 5 1HB LEU 5 -17.395 -0.449 -16.752 31 HB3 LEU 5 2HB LEU 5 -16.097 -0.378 -15.575 32 HG LEU 5 HG LEU 5 -17.125 1.612 -14.558 33 HD11 LEU 5 1HD1 LEU 5 -19.362 2.313 -15.216 34 HD12 LEU 5 2HD1 LEU 5 -19.356 1.139 -16.531 35 HD13 LEU 5 3HD1 LEU 5 -18.229 2.495 -16.556 36 HD21 LEU 5 3HD2 LEU 5 -17.672 -0.603 -13.698 37 HD22 LEU 5 1HD2 LEU 5 -19.001 -0.731 -14.850 38 HD23 LEU 5 2HD2 LEU 5 -19.056 0.483 -13.572 39 H ASP 6 H ASP 6 -15.264 3.460 -17.640 40 HA ASP 6 HA ASP 6 -12.980 3.504 -15.860 41 HB2 ASP 6 1HB ASP 6 -12.413 5.588 -16.944 42 HB3 ASP 6 2HB ASP 6 -12.882 4.419 -18.173 43 H ARG 7 H ARG 7 -15.977 3.730 -15.090 44 HA ARG 7 HA ARG 7 -16.173 6.267 -13.764 45 HB2 ARG 7 1HB ARG 7 -18.141 5.020 -14.608 46 HB3 ARG 7 2HB ARG 7 -17.826 3.756 -13.429 47 HG2 ARG 7 1HG ARG 7 -18.196 5.374 -11.620 48 HG3 ARG 7 2HG ARG 7 -18.563 6.611 -12.826 49 HD2 ARG 7 1HD ARG 7 -20.398 5.203 -13.669 50 HD3 ARG 7 2HD ARG 7 -20.053 4.025 -12.405 51 HE ARG 7 HE ARG 7 -20.757 6.775 -11.660 52 HH11 ARG 7 1HH1 ARG 7 -21.427 3.340 -11.626 53 HH12 ARG 7 2HH1 ARG 7 -22.822 3.496 -10.600 54 HH21 ARG 7 1HH2 ARG 7 -22.562 6.981 -10.281 55 HH22 ARG 7 2HH2 ARG 7 -23.476 5.561 -9.847 56 H ASP 8 H ASP 8 -15.272 2.991 -12.915 57 HA ASP 8 HA ASP 8 -14.237 4.004 -10.375 58 HB2 ASP 8 1HB ASP 8 -14.919 1.879 -9.263 59 HB3 ASP 8 2HB ASP 8 -16.269 2.893 -9.748 60 HA PRO 9 HA PRO 9 -10.968 1.986 -12.763 61 HB2 PRO 9 1HB PRO 9 -9.155 3.824 -11.443 62 HB3 PRO 9 2HB PRO 9 -9.606 3.746 -13.146 63 HG2 PRO 9 1HG PRO 9 -10.337 5.784 -11.491 64 HG3 PRO 9 2HG PRO 9 -11.283 5.284 -12.905 65 HD2 PRO 9 1HD PRO 9 -11.714 4.647 -10.010 66 HD3 PRO 9 2HD PRO 9 -12.905 5.052 -11.267 67 H THR 10 H THR 10 -9.673 0.347 -12.225 68 HA THR 10 HA THR 10 -9.066 -0.178 -9.427 69 HB THR 10 HB THR 10 -8.281 -1.768 -11.887 70 HG1 THR 10 HG1 THR 10 -10.628 -1.521 -11.370 71 HG21 THR 10 3HG2 THR 10 -6.887 -2.227 -9.920 72 HG22 THR 10 1HG2 THR 10 -7.925 -3.602 -10.301 73 HG23 THR 10 2HG2 THR 10 -8.337 -2.530 -8.963 74 H LEU 11 H LEU 11 -7.352 0.788 -8.554 75 HA LEU 11 HA LEU 11 -5.245 1.743 -10.371 76 HB2 LEU 11 1HB LEU 11 -6.547 3.512 -9.307 77 HB3 LEU 11 2HB LEU 11 -6.222 2.831 -7.727 78 HG LEU 11 HG LEU 11 -3.827 3.361 -8.005 79 HD11 LEU 11 1HD1 LEU 11 -4.730 4.702 -10.549 80 HD12 LEU 11 2HD1 LEU 11 -3.700 3.275 -10.436 81 HD13 LEU 11 3HD1 LEU 11 -3.125 4.829 -9.829 82 HD21 LEU 11 3HD2 LEU 11 -5.682 5.702 -8.416 83 HD22 LEU 11 1HD2 LEU 11 -4.053 5.774 -7.746 84 HD23 LEU 11 2HD2 LEU 11 -5.328 4.923 -6.874 85 H THR 12 H THR 12 -3.105 1.406 -9.840 86 HA THR 12 HA THR 12 -2.644 -0.165 -7.404 87 HB THR 12 HB THR 12 -2.195 -1.500 -9.424 88 HG1 THR 12 HG1 THR 12 -0.830 -1.487 -7.376 89 HG21 THR 12 3HG2 THR 12 -1.532 0.289 -10.955 90 HG22 THR 12 1HG2 THR 12 -0.298 -0.969 -10.873 91 HG23 THR 12 2HG2 THR 12 -0.064 0.554 -10.014 92 H LEU 13 H LEU 13 -1.480 0.765 -5.914 93 HA LEU 13 HA LEU 13 0.089 3.147 -6.632 94 HB2 LEU 13 1HB LEU 13 -1.158 2.375 -3.990 95 HB3 LEU 13 2HB LEU 13 -0.182 3.807 -4.261 96 HG LEU 13 HG LEU 13 -2.852 3.232 -5.548 97 HD11 LEU 13 1HD1 LEU 13 -2.063 5.202 -3.406 98 HD12 LEU 13 2HD1 LEU 13 -3.052 3.759 -3.181 99 HD13 LEU 13 3HD1 LEU 13 -3.648 5.091 -4.171 100 HD21 LEU 13 3HD2 LEU 13 -1.072 5.659 -5.717 101 HD22 LEU 13 1HD2 LEU 13 -2.689 5.514 -6.403 102 HD23 LEU 13 2HD2 LEU 13 -1.378 4.505 -7.015 103 H SER 14 H SER 14 1.987 3.527 -5.165 104 HA SER 14 HA SER 14 3.516 1.064 -4.999 105 HB2 SER 14 1HB SER 14 4.501 3.152 -5.960 106 HB3 SER 14 2HB SER 14 4.366 3.909 -4.374 107 HG SER 14 HG SER 14 5.847 2.456 -3.566 108 H LEU 15 H LEU 15 3.738 -0.071 -3.189 109 HA LEU 15 HA LEU 15 2.812 0.966 -0.663 110 HB2 LEU 15 1HB LEU 15 2.465 -1.397 -1.256 111 HB3 LEU 15 2HB LEU 15 4.200 -1.635 -1.338 112 HG LEU 15 HG LEU 15 4.366 -1.136 1.078 113 HD11 LEU 15 1HD1 LEU 15 1.353 -1.082 0.966 114 HD12 LEU 15 2HD1 LEU 15 2.404 0.296 1.288 115 HD13 LEU 15 3HD1 LEU 15 2.335 -1.045 2.431 116 HD21 LEU 15 3HD2 LEU 15 2.420 -3.329 0.367 117 HD22 LEU 15 1HD2 LEU 15 3.352 -3.222 1.860 118 HD23 LEU 15 2HD2 LEU 15 4.180 -3.443 0.319 119 H ILE 16 H ILE 16 4.063 2.448 0.264 120 HA ILE 16 HA ILE 16 6.980 2.137 0.048 121 HB ILE 16 HB ILE 16 7.111 4.556 0.589 122 HG12 ILE 16 1HG1 ILE 16 4.106 4.501 0.219 123 HG13 ILE 16 2HG1 ILE 16 4.925 4.713 1.762 124 HG21 ILE 16 1HG2 ILE 16 7.205 3.795 -1.717 125 HG22 ILE 16 2HG2 ILE 16 6.362 5.341 -1.612 126 HG23 ILE 16 3HG2 ILE 16 5.446 3.849 -1.824 127 HD11 ILE 16 3HD1 ILE 16 5.075 6.577 -0.595 128 HD12 ILE 16 1HD1 ILE 16 5.917 6.789 0.941 129 HD13 ILE 16 2HD1 ILE 16 4.154 6.832 0.887 130 H ALA 17 H ALA 17 8.287 2.344 1.820 131 HA ALA 17 HA ALA 17 7.058 1.850 4.400 132 HB1 ALA 17 3HB ALA 17 9.963 2.011 3.592 133 HB2 ALA 17 1HB ALA 17 9.007 0.535 3.727 134 HB3 ALA 17 2HB ALA 17 9.360 1.493 5.165 135 H LYS 18 H LYS 18 6.288 3.634 5.408 136 HA LYS 18 HA LYS 18 7.584 6.194 4.908 137 HB2 LYS 18 1HB LYS 18 5.114 6.005 4.737 138 HB3 LYS 18 2HB LYS 18 5.053 5.620 6.453 139 HG2 LYS 18 1HG LYS 18 6.049 7.807 6.960 140 HG3 LYS 18 2HG LYS 18 6.038 8.192 5.240 141 HD2 LYS 18 1HD LYS 18 3.618 8.030 5.193 142 HD3 LYS 18 2HD LYS 18 3.598 7.556 6.895 143 HE2 LYS 18 1HE LYS 18 4.625 9.719 7.478 144 HE3 LYS 18 2HE LYS 18 4.563 10.188 5.780 145 HZ1 LYS 18 3HZ LYS 18 2.219 9.560 7.495 146 HZ2 LYS 18 1HZ LYS 18 2.154 10.004 5.860 147 HZ3 LYS 18 2HZ LYS 18 2.713 11.111 7.016 148 H ASN 19 H ASN 19 6.094 5.006 7.885 149 HA ASN 19 HA ASN 19 8.118 6.320 9.461 150 HB2 ASN 19 1HB ASN 19 5.743 6.331 10.174 151 HB3 ASN 19 2HB ASN 19 5.802 4.583 10.357 152 HD21 ASN 19 2HD2 ASN 19 5.234 4.759 12.536 153 HD22 ASN 19 1HD2 ASN 19 6.375 5.293 13.731 154 H THR 20 H THR 20 9.639 4.880 8.240 155 HA THR 20 HA THR 20 10.050 2.347 9.674 156 HB THR 20 HB THR 20 11.140 3.190 6.981 157 HG1 THR 20 HG1 THR 20 8.751 2.177 7.747 158 HG21 THR 20 3HG2 THR 20 11.198 0.512 8.387 159 HG22 THR 20 1HG2 THR 20 12.582 1.580 8.155 160 HG23 THR 20 2HG2 THR 20 11.796 0.841 6.760 161 HA PRO 21 HA PRO 21 13.437 4.666 11.500 162 HB2 PRO 21 1HB PRO 21 13.783 2.261 13.126 163 HB3 PRO 21 2HB PRO 21 13.345 3.894 13.631 164 HG2 PRO 21 1HG PRO 21 11.595 1.835 13.702 165 HG3 PRO 21 2HG PRO 21 11.091 3.507 13.389 166 HD2 PRO 21 1HD PRO 21 11.523 1.261 11.451 167 HD3 PRO 21 2HD PRO 21 10.226 2.476 11.499 168 H ALA 22 H ALA 22 15.718 3.843 12.229 169 HA ALA 22 HA ALA 22 16.939 2.690 9.892 170 HB1 ALA 22 3HB ALA 22 18.201 3.444 12.524 171 HB2 ALA 22 1HB ALA 22 17.987 4.536 11.153 172 HB3 ALA 22 2HB ALA 22 19.040 3.128 11.006 173 H ASN 23 H ASN 23 18.396 0.859 9.955 174 HA ASN 23 HA ASN 23 19.272 -1.136 10.675 175 HB2 ASN 23 1HB ASN 23 19.437 -0.414 12.942 176 HB3 ASN 23 2HB ASN 23 17.699 -0.521 13.173 177 HD21 ASN 23 2HD2 ASN 23 17.692 -1.869 14.832 178 HD22 ASN 23 1HD2 ASN 23 18.232 -3.516 14.769 179 H SER 24 H SER 24 15.833 -0.595 11.132 180 HA SER 24 HA SER 24 15.146 -3.334 10.625 181 HB2 SER 24 1HB SER 24 12.789 -2.335 10.491 182 HB3 SER 24 2HB SER 24 13.631 -2.170 12.031 183 HG SER 24 HG SER 24 13.719 -0.156 10.043 184 H MET 25 H MET 25 15.901 -3.933 8.665 185 HA MET 25 HA MET 25 15.161 -2.316 6.328 186 HB2 MET 25 1HB MET 25 17.539 -2.853 6.570 187 HB3 MET 25 2HB MET 25 17.156 -4.568 6.616 188 HG2 MET 25 1HG MET 25 16.182 -4.309 4.315 189 HG3 MET 25 2HG MET 25 16.864 -2.683 4.293 190 HE1 MET 25 3HE MET 25 18.327 -6.001 5.847 191 HE2 MET 25 1HE MET 25 19.335 -6.572 4.517 192 HE3 MET 25 2HE MET 25 17.581 -6.519 4.334 193 H ILE 26 H ILE 26 13.739 -3.061 4.848 194 HA ILE 26 HA ILE 26 12.346 -5.528 5.488 195 HB ILE 26 HB ILE 26 11.748 -3.735 3.139 196 HG12 ILE 26 1HG1 ILE 26 10.714 -3.444 5.972 197 HG13 ILE 26 2HG1 ILE 26 11.863 -2.358 5.198 198 HG21 ILE 26 1HG2 ILE 26 10.627 -5.892 3.176 199 HG22 ILE 26 2HG2 ILE 26 9.467 -4.599 3.477 200 HG23 ILE 26 3HG2 ILE 26 10.052 -5.587 4.815 201 HD11 ILE 26 3HD1 ILE 26 9.626 -1.421 5.199 202 HD12 ILE 26 1HD1 ILE 26 9.022 -2.830 4.328 203 HD13 ILE 26 2HD1 ILE 26 10.172 -1.741 3.552 204 H MET 27 H MET 27 13.205 -7.372 4.777 205 HA MET 27 HA MET 27 14.983 -7.515 2.548 206 HB2 MET 27 1HB MET 27 15.128 -9.085 4.440 207 HB3 MET 27 2HB MET 27 13.552 -9.741 4.018 208 HG2 MET 27 1HG MET 27 14.420 -10.570 1.919 209 HG3 MET 27 2HG MET 27 15.988 -9.837 2.251 210 HE1 MET 27 3HE MET 27 17.108 -12.222 1.731 211 HE2 MET 27 1HE MET 27 15.513 -12.925 1.459 212 HE3 MET 27 2HE MET 27 16.648 -13.711 2.557 213 H THR 28 H THR 28 11.573 -8.068 3.029 214 HA THR 28 HA THR 28 11.097 -9.061 0.373 215 HB THR 28 HB THR 28 9.073 -7.848 2.268 216 HG1 THR 28 HG1 THR 28 10.428 -10.297 2.343 217 HG21 THR 28 3HG2 THR 28 7.514 -9.368 1.129 218 HG22 THR 28 1HG2 THR 28 8.825 -9.926 0.087 219 HG23 THR 28 2HG2 THR 28 8.273 -8.253 -0.009 220 H LYS 29 H LYS 29 11.503 -7.699 -1.303 221 HA LYS 29 HA LYS 29 11.591 -4.895 -1.006 222 HB2 LYS 29 1HB LYS 29 11.493 -6.604 -3.489 223 HB3 LYS 29 2HB LYS 29 11.720 -4.858 -3.515 224 HG2 LYS 29 1HG LYS 29 13.723 -5.194 -2.045 225 HG3 LYS 29 2HG LYS 29 13.536 -6.927 -2.308 226 HD2 LYS 29 1HD LYS 29 13.850 -6.641 -4.685 227 HD3 LYS 29 2HD LYS 29 13.905 -4.886 -4.498 228 HE2 LYS 29 1HE LYS 29 15.876 -6.875 -3.372 229 HE3 LYS 29 2HE LYS 29 16.153 -5.782 -4.728 230 HZ1 LYS 29 3HZ LYS 29 15.902 -3.903 -3.234 231 HZ2 LYS 29 1HZ LYS 29 17.122 -4.939 -2.669 232 HZ3 LYS 29 2HZ LYS 29 15.602 -4.944 -1.931 233 H LEU 30 H LEU 30 10.172 -3.364 -1.227 234 HA LEU 30 HA LEU 30 7.468 -3.845 -0.883 235 HB2 LEU 30 1HB LEU 30 8.815 -1.340 -1.891 236 HB3 LEU 30 2HB LEU 30 7.195 -1.427 -1.228 237 HG LEU 30 HG LEU 30 9.694 -2.108 0.322 238 HD11 LEU 30 1HD1 LEU 30 9.677 0.251 -0.280 239 HD12 LEU 30 2HD1 LEU 30 9.368 0.038 1.443 240 HD13 LEU 30 3HD1 LEU 30 8.037 0.410 0.348 241 HD21 LEU 30 3HD2 LEU 30 8.209 -1.981 2.262 242 HD22 LEU 30 1HD2 LEU 30 7.685 -3.227 1.131 243 HD23 LEU 30 2HD2 LEU 30 6.838 -1.682 1.194 244 HA PRO 31 HA PRO 31 6.213 -4.224 -5.168 245 HB2 PRO 31 1HB PRO 31 3.970 -5.587 -4.692 246 HB3 PRO 31 2HB PRO 31 5.555 -6.338 -4.478 247 HG2 PRO 31 1HG PRO 31 3.621 -5.394 -2.439 248 HG3 PRO 31 2HG PRO 31 4.822 -6.692 -2.337 249 HD2 PRO 31 1HD PRO 31 5.053 -4.016 -1.365 250 HD3 PRO 31 2HD PRO 31 6.290 -5.287 -1.343 251 H SER 32 H SER 32 4.126 -3.737 -6.345 252 HA SER 32 HA SER 32 2.904 -1.310 -5.339 253 HB2 SER 32 1HB SER 32 2.381 -2.818 -7.914 254 HB3 SER 32 2HB SER 32 1.861 -1.173 -7.539 255 HG SER 32 HG SER 32 3.698 -0.636 -8.420 256 H VAL 33 H VAL 33 0.766 -1.082 -4.759 257 HA VAL 33 HA VAL 33 -0.563 -3.601 -4.010 258 HB VAL 33 HB VAL 33 0.018 -2.030 -2.178 259 HG11 VAL 33 1HG1 VAL 33 -0.217 0.071 -3.363 260 HG12 VAL 33 2HG1 VAL 33 -1.236 0.059 -1.924 261 HG13 VAL 33 3HG1 VAL 33 -1.956 -0.188 -3.515 262 HG21 VAL 33 3HG2 VAL 33 -2.943 -2.398 -2.607 263 HG22 VAL 33 1HG2 VAL 33 -2.164 -2.043 -1.066 264 HG23 VAL 33 2HG2 VAL 33 -1.840 -3.570 -1.885 265 H ARG 34 H ARG 34 -2.810 -3.885 -4.430 266 HA ARG 34 HA ARG 34 -3.788 -2.194 -6.632 267 HB2 ARG 34 1HB ARG 34 -4.739 -4.939 -5.792 268 HB3 ARG 34 2HB ARG 34 -5.277 -4.041 -7.204 269 HG2 ARG 34 1HG ARG 34 -2.888 -4.110 -8.008 270 HG3 ARG 34 2HG ARG 34 -2.577 -5.258 -6.704 271 HD2 ARG 34 1HD ARG 34 -4.502 -5.578 -9.002 272 HD3 ARG 34 2HD ARG 34 -3.012 -6.477 -8.727 273 HE ARG 34 HE ARG 34 -5.451 -6.714 -7.078 274 HH11 ARG 34 1HH1 ARG 34 -2.429 -8.008 -8.287 275 HH12 ARG 34 2HH1 ARG 34 -2.741 -9.615 -7.704 276 HH21 ARG 34 1HH2 ARG 34 -5.864 -8.817 -6.317 277 HH22 ARG 34 2HH2 ARG 34 -4.694 -10.078 -6.585 278 H VAL 35 H VAL 35 -5.275 -0.760 -6.197 279 HA VAL 35 HA VAL 35 -7.296 -1.362 -4.157 280 HB VAL 35 HB VAL 35 -7.266 1.106 -3.551 281 HG11 VAL 35 1HG1 VAL 35 -4.849 -0.558 -2.850 282 HG12 VAL 35 2HG1 VAL 35 -6.412 -0.583 -2.034 283 HG13 VAL 35 3HG1 VAL 35 -5.405 0.861 -1.964 284 HG21 VAL 35 3HG2 VAL 35 -5.949 1.930 -5.428 285 HG22 VAL 35 1HG2 VAL 35 -4.560 0.988 -4.884 286 HG23 VAL 35 2HG2 VAL 35 -5.165 2.320 -3.897 287 H LYS 36 H LYS 36 -9.229 -1.358 -5.141 288 HA LYS 36 HA LYS 36 -9.539 0.138 -7.614 289 HB2 LYS 36 1HB LYS 36 -10.477 -2.236 -7.213 290 HB3 LYS 36 2HB LYS 36 -11.724 -1.435 -6.264 291 HG2 LYS 36 1HG LYS 36 -12.164 -0.001 -8.310 292 HG3 LYS 36 2HG LYS 36 -11.146 -1.136 -9.197 293 HD2 LYS 36 1HD LYS 36 -13.274 -1.973 -9.563 294 HD3 LYS 36 2HD LYS 36 -12.716 -2.940 -8.196 295 HE2 LYS 36 1HE LYS 36 -14.985 -2.210 -7.798 296 HE3 LYS 36 2HE LYS 36 -13.897 -1.405 -6.667 297 HZ1 LYS 36 3HZ LYS 36 -15.544 0.123 -7.615 298 HZ2 LYS 36 1HZ LYS 36 -14.961 -0.201 -9.175 299 HZ3 LYS 36 2HZ LYS 36 -13.968 0.576 -8.042 300 H THR 37 H THR 37 -10.496 2.057 -7.738 301 HA THR 37 HA THR 37 -11.779 3.077 -5.303 302 HB THR 37 HB THR 37 -11.451 5.338 -6.417 303 HG1 THR 37 HG1 THR 37 -9.443 4.153 -7.983 304 HG21 THR 37 3HG2 THR 37 -9.075 5.481 -5.807 305 HG22 THR 37 1HG2 THR 37 -8.982 3.719 -5.774 306 HG23 THR 37 2HG2 THR 37 -9.998 4.571 -4.611 307 H GLU 38 H GLU 38 -13.391 4.982 -6.090 308 HA GLU 38 HA GLU 38 -14.969 4.190 -8.379 309 HB2 GLU 38 1HB GLU 38 -15.587 2.804 -6.223 310 HB3 GLU 38 2HB GLU 38 -16.423 4.280 -5.762 311 HG2 GLU 38 1HG GLU 38 -18.038 4.017 -7.313 312 HG3 GLU 38 2HG GLU 38 -16.948 3.265 -8.480 313 H GLY 39 H GLY 39 -15.207 6.101 -9.331 314 HA2 GLY 39 1HA GLY 39 -16.725 8.166 -8.840 315 HA3 GLY 39 2HA GLY 39 -15.455 8.507 -7.672 316 H TYR 40 H TYR 40 -15.990 10.334 -9.606 317 HA TYR 40 HA TYR 40 -14.217 9.921 -11.869 318 HB2 TYR 40 1HB TYR 40 -15.859 12.360 -11.150 319 HB3 TYR 40 2HB TYR 40 -15.105 12.021 -12.703 320 HD1 TYR 40 HD1 TYR 40 -17.891 11.208 -10.468 321 HD2 TYR 40 HD2 TYR 40 -16.094 10.428 -14.243 322 HE1 TYR 40 HE1 TYR 40 -19.955 10.101 -11.213 323 HE2 TYR 40 HE2 TYR 40 -18.152 9.320 -14.998 324 HH TYR 40 HH TYR 40 -20.097 8.274 -14.152 325 H ASN 41 H ASN 41 -12.101 10.314 -11.618 326 HA ASN 41 HA ASN 41 -11.336 12.718 -10.130 327 HB2 ASN 41 1HB ASN 41 -9.435 11.488 -9.086 328 HB3 ASN 41 2HB ASN 41 -11.018 10.974 -8.522 329 HD21 ASN 41 2HD2 ASN 41 -11.835 8.938 -9.256 330 HD22 ASN 41 1HD2 ASN 41 -10.750 7.704 -9.787 331 HA PRO 42 HA PRO 42 -8.830 12.697 -13.925 332 HB2 PRO 42 1HB PRO 42 -9.883 15.157 -14.766 333 HB3 PRO 42 2HB PRO 42 -10.346 13.567 -15.368 334 HG2 PRO 42 1HG PRO 42 -11.962 15.348 -13.896 335 HG3 PRO 42 2HG PRO 42 -12.327 13.659 -14.283 336 HD2 PRO 42 1HD PRO 42 -11.249 14.840 -11.772 337 HD3 PRO 42 2HD PRO 42 -12.289 13.418 -12.000 338 H SER 43 H SER 43 -9.226 14.580 -11.185 339 HA SER 43 HA SER 43 -7.148 16.512 -11.870 340 HB2 SER 43 1HB SER 43 -7.838 17.426 -9.555 341 HB3 SER 43 2HB SER 43 -9.008 17.560 -10.871 342 HG SER 43 HG SER 43 -9.834 16.708 -8.814 343 H ILE 44 H ILE 44 -7.927 14.198 -9.293 344 HA ILE 44 HA ILE 44 -5.567 14.479 -7.828 345 HB ILE 44 HB ILE 44 -7.293 12.007 -8.021 346 HG12 ILE 44 1HG1 ILE 44 -7.514 14.376 -6.147 347 HG13 ILE 44 2HG1 ILE 44 -8.591 14.057 -7.502 348 HG21 ILE 44 1HG2 ILE 44 -6.475 11.551 -5.755 349 HG22 ILE 44 2HG2 ILE 44 -5.440 12.975 -5.846 350 HG23 ILE 44 3HG2 ILE 44 -5.155 11.609 -6.923 351 HD11 ILE 44 3HD1 ILE 44 -9.328 11.995 -6.432 352 HD12 ILE 44 1HD1 ILE 44 -9.592 13.395 -5.392 353 HD13 ILE 44 2HD1 ILE 44 -8.240 12.307 -5.079 354 H ASN 45 H ASN 45 -3.570 13.805 -8.123 355 HA ASN 45 HA ASN 45 -2.924 12.303 -10.522 356 HB2 ASN 45 1HB ASN 45 -1.626 14.275 -10.115 357 HB3 ASN 45 2HB ASN 45 -1.253 13.766 -8.474 358 HD21 ASN 45 2HD2 ASN 45 -0.535 13.316 -11.854 359 HD22 ASN 45 1HD2 ASN 45 0.942 12.434 -11.612 360 H VAL 46 H VAL 46 -2.312 10.250 -10.607 361 HA VAL 46 HA VAL 46 -2.800 8.569 -8.379 362 HB VAL 46 HB VAL 46 -2.107 6.717 -9.824 363 HG11 VAL 46 1HG1 VAL 46 -3.819 8.773 -11.220 364 HG12 VAL 46 2HG1 VAL 46 -4.366 7.582 -10.039 365 HG13 VAL 46 3HG1 VAL 46 -3.763 7.053 -11.609 366 HG21 VAL 46 3HG2 VAL 46 -0.214 7.768 -10.939 367 HG22 VAL 46 1HG2 VAL 46 -1.303 8.874 -11.777 368 HG23 VAL 46 2HG2 VAL 46 -1.364 7.146 -12.124 369 H ASN 47 H ASN 47 0.004 10.260 -9.272 370 HA ASN 47 HA ASN 47 1.750 8.375 -7.874 371 HB2 ASN 47 1HB ASN 47 2.324 10.804 -9.563 372 HB3 ASN 47 2HB ASN 47 3.566 10.024 -8.589 373 HD21 ASN 47 2HD2 ASN 47 3.352 10.333 -11.479 374 HD22 ASN 47 1HD2 ASN 47 3.421 8.731 -12.137 375 H GLU 48 H GLU 48 -0.095 11.122 -7.256 376 HA GLU 48 HA GLU 48 1.505 11.935 -4.969 377 HB2 GLU 48 1HB GLU 48 -1.182 12.865 -5.991 378 HB3 GLU 48 2HB GLU 48 -0.439 13.478 -4.521 379 HG2 GLU 48 1HG GLU 48 1.494 14.235 -5.862 380 HG3 GLU 48 2HG GLU 48 0.647 13.710 -7.316 381 H LEU 49 H LEU 49 -1.204 9.941 -5.776 382 HA LEU 49 HA LEU 49 -1.964 9.415 -3.054 383 HB2 LEU 49 1HB LEU 49 -2.520 7.879 -5.595 384 HB3 LEU 49 2HB LEU 49 -3.244 7.532 -4.037 385 HG LEU 49 HG LEU 49 -3.621 10.077 -5.618 386 HD11 LEU 49 1HD1 LEU 49 -5.495 7.777 -5.093 387 HD12 LEU 49 2HD1 LEU 49 -4.728 8.159 -6.634 388 HD13 LEU 49 3HD1 LEU 49 -5.903 9.271 -5.934 389 HD21 LEU 49 3HD2 LEU 49 -3.713 10.451 -3.202 390 HD22 LEU 49 1HD2 LEU 49 -4.899 9.156 -3.045 391 HD23 LEU 49 2HD2 LEU 49 -5.306 10.621 -3.939 392 H PHE 50 H PHE 50 -1.056 8.001 -1.681 393 HA PHE 50 HA PHE 50 0.833 6.025 -2.765 394 HB2 PHE 50 1HB PHE 50 1.276 7.909 -0.451 395 HB3 PHE 50 2HB PHE 50 2.227 6.448 -0.677 396 HD1 PHE 50 HD2 PHE 50 3.427 6.203 -2.952 397 HD2 PHE 50 HD1 PHE 50 1.955 9.890 -1.418 398 HE1 PHE 50 HE2 PHE 50 4.978 7.426 -4.417 399 HE2 PHE 50 HE1 PHE 50 3.505 11.119 -2.879 400 HZ PHE 50 HZ PHE 50 5.020 9.889 -4.381 401 H ALA 51 H ALA 51 1.172 4.167 -1.466 402 HA ALA 51 HA ALA 51 -0.701 3.836 0.787 403 HB1 ALA 51 3HB ALA 51 -0.790 1.441 0.259 404 HB2 ALA 51 1HB ALA 51 0.242 1.712 -1.146 405 HB3 ALA 51 2HB ALA 51 -1.376 2.414 -1.090 406 H TYR 52 H TYR 52 0.416 3.747 2.651 407 HA TYR 52 HA TYR 52 3.230 2.911 2.447 408 HB2 TYR 52 1HB TYR 52 3.788 4.575 4.150 409 HB3 TYR 52 2HB TYR 52 3.061 5.327 2.741 410 HD1 TYR 52 HD1 TYR 52 2.553 4.447 6.276 411 HD2 TYR 52 HD2 TYR 52 0.973 6.481 2.890 412 HE1 TYR 52 HE1 TYR 52 0.956 5.616 7.732 413 HE2 TYR 52 HE2 TYR 52 -0.630 7.652 4.336 414 HH TYR 52 HH TYR 52 -0.401 7.560 7.783 415 H VAL 53 H VAL 53 4.197 2.034 4.336 416 HA VAL 53 HA VAL 53 2.265 0.900 6.244 417 HB VAL 53 HB VAL 53 4.041 -0.786 6.774 418 HG11 VAL 53 1HG1 VAL 53 3.086 -0.720 3.915 419 HG12 VAL 53 2HG1 VAL 53 2.193 -1.347 5.301 420 HG13 VAL 53 3HG1 VAL 53 3.671 -2.147 4.769 421 HG21 VAL 53 3HG2 VAL 53 5.865 -1.118 5.172 422 HG22 VAL 53 1HG2 VAL 53 5.986 0.448 5.976 423 HG23 VAL 53 2HG2 VAL 53 5.383 0.351 4.321 424 H ASP 54 H ASP 54 2.569 1.207 8.393 425 HA ASP 54 HA ASP 54 4.648 3.157 9.123 426 HB2 ASP 54 1HB ASP 54 2.203 3.703 9.532 427 HB3 ASP 54 2HB ASP 54 2.190 2.402 10.718 428 H LEU 55 H LEU 55 6.403 2.167 9.888 429 HA LEU 55 HA LEU 55 6.084 -0.419 11.218 430 HB2 LEU 55 1HB LEU 55 8.548 0.896 10.070 431 HB3 LEU 55 2HB LEU 55 8.500 -0.697 10.802 432 HG LEU 55 HG LEU 55 7.111 0.147 8.258 433 HD11 LEU 55 1HD1 LEU 55 9.393 -1.752 8.773 434 HD12 LEU 55 2HD1 LEU 55 9.499 -0.173 7.991 435 HD13 LEU 55 3HD1 LEU 55 8.610 -1.484 7.214 436 HD21 LEU 55 3HD2 LEU 55 6.429 -2.191 8.061 437 HD22 LEU 55 1HD2 LEU 55 5.733 -1.437 9.495 438 HD23 LEU 55 2HD2 LEU 55 7.111 -2.527 9.652 439 H SER 56 H SER 56 5.355 1.781 12.718 440 HA SER 56 HA SER 56 7.272 2.772 14.474 441 HB2 SER 56 1HB SER 56 4.876 3.492 14.381 442 HB3 SER 56 2HB SER 56 4.428 1.975 15.159 443 HG SER 56 HG SER 56 5.258 2.642 17.022 444 H GLY 57 H GLY 57 5.373 -0.204 14.598 445 HA2 GLY 57 1HA GLY 57 6.943 -1.247 16.808 446 HA3 GLY 57 2HA GLY 57 5.661 -2.087 15.944 447 H SER 58 H SER 58 8.952 -0.844 15.469 448 HA SER 58 HA SER 58 9.483 -2.494 13.224 449 HB2 SER 58 1HB SER 58 11.917 -1.807 13.792 450 HB3 SER 58 2HB SER 58 10.778 -0.546 13.320 451 HG SER 58 HG SER 58 11.382 0.337 15.133 452 H GLU 59 H GLU 59 9.045 -4.586 13.713 453 HA GLU 59 HA GLU 59 10.738 -5.865 15.752 454 HB2 GLU 59 1HB GLU 59 8.310 -5.855 16.252 455 HB3 GLU 59 2HB GLU 59 8.012 -6.705 14.746 456 HG2 GLU 59 1HG GLU 59 9.141 -8.648 15.538 457 HG3 GLU 59 2HG GLU 59 9.698 -7.795 16.979 458 HA PRO 60 HA PRO 60 12.695 -7.770 12.242 459 HB2 PRO 60 1HB PRO 60 13.691 -9.720 14.224 460 HB3 PRO 60 2HB PRO 60 14.593 -8.641 13.156 461 HG2 PRO 60 1HG PRO 60 14.446 -8.187 15.787 462 HG3 PRO 60 2HG PRO 60 14.445 -6.856 14.615 463 HD2 PRO 60 1HD PRO 60 12.151 -8.065 16.114 464 HD3 PRO 60 2HD PRO 60 12.492 -6.358 15.761 465 H GLY 61 H GLY 61 12.510 -9.588 10.958 466 HA2 GLY 61 1HA GLY 61 11.871 -11.855 10.543 467 HA3 GLY 61 2HA GLY 61 10.796 -11.770 11.933 468 H GLU 62 H GLU 62 9.491 -12.774 9.992 469 HA GLU 62 HA GLU 62 8.346 -10.726 8.274 470 HB2 GLU 62 1HB GLU 62 7.694 -13.670 8.527 471 HB3 GLU 62 2HB GLU 62 7.043 -12.582 7.309 472 HG2 GLU 62 1HG GLU 62 9.310 -12.213 6.449 473 HG3 GLU 62 2HG GLU 62 9.933 -13.349 7.646 474 H HIS 63 H HIS 63 6.927 -9.409 9.204 475 HA HIS 63 HA HIS 63 4.883 -10.619 10.947 476 HB2 HIS 63 1HB HIS 63 6.330 -7.995 11.306 477 HB3 HIS 63 2HB HIS 63 4.834 -8.383 12.149 478 HD1 HIS 63 HD1 HIS 63 4.957 -10.043 14.083 479 HD2 HIS 63 HD2 HIS 63 8.597 -9.453 12.162 480 HE1 HIS 63 HE1 HIS 63 6.680 -11.173 15.530 481 HE2 HIS 63 HE2 HIS 63 8.874 -10.830 14.337 482 H ASP 64 H ASP 64 2.814 -9.736 10.862 483 HA ASP 64 HA ASP 64 2.122 -8.765 8.236 484 HB2 ASP 64 1HB ASP 64 0.333 -9.364 10.605 485 HB3 ASP 64 2HB ASP 64 -0.197 -9.094 8.950 486 H TYR 65 H TYR 65 2.317 -6.666 7.823 487 HA TYR 65 HA TYR 65 1.478 -4.747 9.895 488 HB2 TYR 65 1HB TYR 65 3.399 -4.356 7.589 489 HB3 TYR 65 2HB TYR 65 2.894 -3.091 8.703 490 HD1 TYR 65 HD1 TYR 65 3.398 -3.460 11.203 491 HD2 TYR 65 HD2 TYR 65 5.253 -5.687 8.088 492 HE1 TYR 65 HE1 TYR 65 5.214 -4.085 12.738 493 HE2 TYR 65 HE2 TYR 65 7.073 -6.318 9.615 494 HH TYR 65 HH TYR 65 8.104 -5.601 11.658 495 H GLU 66 H GLU 66 0.171 -3.001 9.297 496 HA GLU 66 HA GLU 66 -1.758 -3.736 7.287 497 HB2 GLU 66 1HB GLU 66 -1.648 -1.362 9.153 498 HB3 GLU 66 2HB GLU 66 -3.034 -1.828 8.177 499 HG2 GLU 66 1HG GLU 66 -3.461 -3.719 9.456 500 HG3 GLU 66 2HG GLU 66 -1.836 -3.737 10.141 501 H VAL 67 H VAL 67 -2.046 -2.876 5.338 502 HA VAL 67 HA VAL 67 -0.183 -0.910 4.323 503 HB VAL 67 HB VAL 67 -2.570 -2.204 2.976 504 HG11 VAL 67 1HG1 VAL 67 -1.513 -1.493 0.875 505 HG12 VAL 67 2HG1 VAL 67 -0.271 -0.644 1.798 506 HG13 VAL 67 3HG1 VAL 67 -1.952 -0.118 1.892 507 HG21 VAL 67 3HG2 VAL 67 -0.918 -3.647 1.879 508 HG22 VAL 67 1HG2 VAL 67 -0.916 -3.857 3.630 509 HG23 VAL 67 2HG2 VAL 67 0.358 -2.916 2.853 510 H LYS 68 H LYS 68 -0.508 1.178 4.715 511 HA LYS 68 HA LYS 68 -3.256 2.103 5.162 512 HB2 LYS 68 1HB LYS 68 -1.323 2.393 6.881 513 HB3 LYS 68 2HB LYS 68 -0.778 3.679 5.813 514 HG2 LYS 68 1HG LYS 68 -3.504 3.552 7.083 515 HG3 LYS 68 2HG LYS 68 -2.139 4.476 7.711 516 HD2 LYS 68 1HD LYS 68 -2.096 5.863 5.762 517 HD3 LYS 68 2HD LYS 68 -3.290 4.846 4.952 518 HE2 LYS 68 1HE LYS 68 -4.916 5.432 6.740 519 HE3 LYS 68 2HE LYS 68 -3.726 6.555 7.396 520 HZ1 LYS 68 3HZ LYS 68 -5.414 7.582 5.921 521 HZ2 LYS 68 1HZ LYS 68 -4.775 6.695 4.624 522 HZ3 LYS 68 2HZ LYS 68 -3.814 7.848 5.421 523 H VAL 69 H VAL 69 -4.169 2.956 3.438 524 HA VAL 69 HA VAL 69 -2.520 4.154 1.340 525 HB VAL 69 HB VAL 69 -5.506 3.664 1.347 526 HG11 VAL 69 1HG1 VAL 69 -4.790 5.322 -0.287 527 HG12 VAL 69 2HG1 VAL 69 -5.312 3.838 -1.084 528 HG13 VAL 69 3HG1 VAL 69 -3.592 4.193 -0.923 529 HG21 VAL 69 3HG2 VAL 69 -5.018 1.659 0.016 530 HG22 VAL 69 1HG2 VAL 69 -4.327 1.558 1.635 531 HG23 VAL 69 2HG2 VAL 69 -3.292 1.928 0.256 532 H GLU 70 H GLU 70 -2.643 6.286 0.723 533 HA GLU 70 HA GLU 70 -3.398 8.263 2.545 534 HB2 GLU 70 1HB GLU 70 -2.808 8.283 -0.396 535 HB3 GLU 70 2HB GLU 70 -3.384 9.743 0.395 536 HG2 GLU 70 1HG GLU 70 -0.931 8.194 1.191 537 HG3 GLU 70 2HG GLU 70 -0.941 9.660 0.209 538 HA PRO 71 HA PRO 71 -7.795 8.458 2.121 539 HB2 PRO 71 1HB PRO 71 -8.149 11.048 2.935 540 HB3 PRO 71 2HB PRO 71 -7.872 9.702 4.043 541 HG2 PRO 71 1HG PRO 71 -5.942 11.737 3.011 542 HG3 PRO 71 2HG PRO 71 -6.090 11.057 4.642 543 HD2 PRO 71 1HD PRO 71 -4.196 10.239 2.899 544 HD3 PRO 71 2HD PRO 71 -4.931 9.144 4.087 545 H ILE 72 H ILE 72 -9.153 8.947 0.490 546 HA ILE 72 HA ILE 72 -8.219 10.917 -1.488 547 HB ILE 72 HB ILE 72 -9.914 8.484 -2.073 548 HG12 ILE 72 1HG1 ILE 72 -6.954 8.888 -2.575 549 HG13 ILE 72 2HG1 ILE 72 -7.629 7.856 -1.319 550 HG21 ILE 72 1HG2 ILE 72 -10.209 10.323 -3.636 551 HG22 ILE 72 2HG2 ILE 72 -9.345 8.992 -4.407 552 HG23 ILE 72 3HG2 ILE 72 -8.464 10.423 -3.873 553 HD11 ILE 72 3HD1 ILE 72 -8.663 6.456 -3.027 554 HD12 ILE 72 1HD1 ILE 72 -6.915 6.558 -3.237 555 HD13 ILE 72 2HD1 ILE 72 -7.986 7.491 -4.284 556 HA PRO 73 HA PRO 73 -12.061 12.894 -0.193 557 HB2 PRO 73 1HB PRO 73 -11.184 14.928 -2.136 558 HB3 PRO 73 2HB PRO 73 -11.533 15.099 -0.413 559 HG2 PRO 73 1HG PRO 73 -9.024 15.217 -1.360 560 HG3 PRO 73 2HG PRO 73 -9.396 14.494 0.216 561 HD2 PRO 73 1HD PRO 73 -8.828 13.150 -2.399 562 HD3 PRO 73 2HD PRO 73 -8.286 12.711 -0.765 563 H ASN 74 H ASN 74 -14.019 12.757 -1.071 564 HA ASN 74 HA ASN 74 -15.742 12.640 -2.534 565 HB2 ASN 74 1HB ASN 74 -13.679 13.467 -4.577 566 HB3 ASN 74 2HB ASN 74 -15.383 13.229 -4.951 567 HD21 ASN 74 2HD2 ASN 74 -13.764 15.635 -5.134 568 HD22 ASN 74 1HD2 ASN 74 -14.548 16.813 -4.126 569 H ILE 75 H ILE 75 -12.798 11.075 -3.725 570 HA ILE 75 HA ILE 75 -14.342 9.107 -5.181 571 HB ILE 75 HB ILE 75 -11.368 9.092 -4.684 572 HG12 ILE 75 1HG1 ILE 75 -11.925 11.231 -5.663 573 HG13 ILE 75 2HG1 ILE 75 -11.183 10.216 -6.894 574 HG21 ILE 75 1HG2 ILE 75 -13.058 7.845 -6.848 575 HG22 ILE 75 2HG2 ILE 75 -12.268 6.996 -5.519 576 HG23 ILE 75 3HG2 ILE 75 -11.297 7.788 -6.759 577 HD11 ILE 75 3HD1 ILE 75 -13.056 11.454 -7.796 578 HD12 ILE 75 1HD1 ILE 75 -14.125 10.757 -6.578 579 HD13 ILE 75 2HD1 ILE 75 -13.396 9.722 -7.806 580 H LYS 76 H LYS 76 -14.904 7.158 -4.480 581 HA LYS 76 HA LYS 76 -14.412 6.496 -1.715 582 HB2 LYS 76 1HB LYS 76 -15.928 4.947 -3.820 583 HB3 LYS 76 2HB LYS 76 -15.985 4.679 -2.084 584 HG2 LYS 76 1HG LYS 76 -16.979 6.901 -1.787 585 HG3 LYS 76 2HG LYS 76 -16.958 7.128 -3.539 586 HD2 LYS 76 1HD LYS 76 -18.426 5.206 -3.818 587 HD3 LYS 76 2HD LYS 76 -18.423 4.935 -2.074 588 HE2 LYS 76 1HE LYS 76 -19.386 7.221 -1.796 589 HE3 LYS 76 2HE LYS 76 -19.542 7.310 -3.551 590 HZ1 LYS 76 3HZ LYS 76 -21.600 6.614 -2.452 591 HZ2 LYS 76 1HZ LYS 76 -20.810 5.247 -1.831 592 HZ3 LYS 76 2HZ LYS 76 -21.019 5.421 -3.508 593 H ILE 77 H ILE 77 -13.182 4.835 -0.944 594 HA ILE 77 HA ILE 77 -11.549 3.407 -2.905 595 HB ILE 77 HB ILE 77 -10.286 4.526 -1.147 596 HG12 ILE 77 1HG1 ILE 77 -10.198 1.540 -0.702 597 HG13 ILE 77 2HG1 ILE 77 -9.511 2.345 -2.109 598 HG21 ILE 77 1HG2 ILE 77 -11.920 4.541 0.631 599 HG22 ILE 77 2HG2 ILE 77 -10.422 3.799 1.194 600 HG23 ILE 77 3HG2 ILE 77 -11.808 2.787 0.783 601 HD11 ILE 77 3HD1 ILE 77 -7.806 1.853 -0.458 602 HD12 ILE 77 1HD1 ILE 77 -8.690 2.784 0.753 603 HD13 ILE 77 2HD1 ILE 77 -8.003 3.595 -0.654 604 H VAL 78 H VAL 78 -12.215 1.499 -3.519 605 HA VAL 78 HA VAL 78 -14.466 0.302 -2.140 606 HB VAL 78 HB VAL 78 -13.157 -0.554 -4.722 607 HG11 VAL 78 1HG1 VAL 78 -14.545 -2.280 -3.767 608 HG12 VAL 78 2HG1 VAL 78 -15.340 -1.587 -5.180 609 HG13 VAL 78 3HG1 VAL 78 -15.873 -1.137 -3.561 610 HG21 VAL 78 3HG2 VAL 78 -14.947 0.708 -5.840 611 HG22 VAL 78 1HG2 VAL 78 -13.867 1.747 -4.912 612 HG23 VAL 78 2HG2 VAL 78 -15.460 1.336 -4.274 613 H GLU 79 H GLU 79 -11.291 -0.772 -3.326 614 HA GLU 79 HA GLU 79 -11.362 -2.928 -1.334 615 HB2 GLU 79 1HB GLU 79 -10.592 -3.247 -4.238 616 HB3 GLU 79 2HB GLU 79 -10.348 -4.467 -3.000 617 HG2 GLU 79 1HG GLU 79 -12.815 -4.490 -2.644 618 HG3 GLU 79 2HG GLU 79 -12.964 -3.421 -4.040 619 H ILE 80 H ILE 80 -9.414 -3.522 -0.493 620 HA ILE 80 HA ILE 80 -7.001 -2.234 -1.574 621 HB ILE 80 HB ILE 80 -7.520 -2.765 1.364 622 HG12 ILE 80 1HG1 ILE 80 -7.454 -0.127 -0.125 623 HG13 ILE 80 2HG1 ILE 80 -8.901 -0.899 0.516 624 HG21 ILE 80 1HG2 ILE 80 -5.447 -1.493 1.710 625 HG22 ILE 80 2HG2 ILE 80 -5.239 -1.375 -0.037 626 HG23 ILE 80 3HG2 ILE 80 -5.176 -2.950 0.755 627 HD11 ILE 80 3HD1 ILE 80 -8.147 0.895 1.962 628 HD12 ILE 80 1HD1 ILE 80 -6.575 0.115 2.136 629 HD13 ILE 80 2HD1 ILE 80 -8.020 -0.663 2.781 630 H SER 81 H SER 81 -5.825 -3.822 -2.449 631 HA SER 81 HA SER 81 -5.723 -6.386 -1.020 632 HB2 SER 81 1HB SER 81 -5.853 -6.040 -4.019 633 HB3 SER 81 2HB SER 81 -5.775 -7.573 -3.146 634 HG SER 81 HG SER 81 -7.793 -6.113 -2.174 635 HA PRO 82 HA PRO 82 -4.675 -7.147 0.147 636 HB2 PRO 82 1HB PRO 82 -2.341 -7.320 1.732 637 HB3 PRO 82 2HB PRO 82 -3.071 -8.608 0.774 638 HG2 PRO 82 1HG PRO 82 -0.586 -7.438 0.296 639 HG3 PRO 82 2HG PRO 82 -1.510 -8.411 -0.860 640 HD2 PRO 82 1HD PRO 82 -1.292 -5.438 -0.629 641 HD3 PRO 82 2HD PRO 82 -1.393 -6.455 -2.083 642 H ARG 83 H ARG 83 -5.016 -6.599 2.426 643 HA ARG 83 HA ARG 83 -4.642 -3.738 2.927 644 HB2 ARG 83 1HB ARG 83 -6.249 -5.816 4.424 645 HB3 ARG 83 2HB ARG 83 -6.203 -4.103 4.813 646 HG2 ARG 83 1HG ARG 83 -7.297 -3.532 2.784 647 HG3 ARG 83 2HG ARG 83 -7.139 -5.180 2.169 648 HD2 ARG 83 1HD ARG 83 -8.788 -4.283 4.529 649 HD3 ARG 83 2HD ARG 83 -9.395 -4.813 2.958 650 HE ARG 83 HE ARG 83 -7.761 -6.818 4.094 651 HH11 ARG 83 1HH1 ARG 83 -10.924 -5.353 4.446 652 HH12 ARG 83 2HH1 ARG 83 -11.642 -6.785 5.134 653 HH21 ARG 83 1HH2 ARG 83 -8.680 -8.670 5.024 654 HH22 ARG 83 2HH2 ARG 83 -10.355 -8.666 5.491 655 H VAL 84 H VAL 84 -3.621 -6.859 4.025 656 HA VAL 84 HA VAL 84 -1.789 -5.563 5.924 657 HB VAL 84 HB VAL 84 -3.173 -8.219 6.382 658 HG11 VAL 84 1HG1 VAL 84 -2.136 -8.123 8.600 659 HG12 VAL 84 2HG1 VAL 84 -1.296 -6.644 8.138 660 HG13 VAL 84 3HG1 VAL 84 -0.930 -8.160 7.315 661 HG21 VAL 84 3HG2 VAL 84 -4.736 -6.383 6.681 662 HG22 VAL 84 1HG2 VAL 84 -3.595 -5.561 7.747 663 HG23 VAL 84 2HG2 VAL 84 -4.318 -7.092 8.241 664 H VAL 85 H VAL 85 0.255 -5.955 5.375 665 HA VAL 85 HA VAL 85 0.801 -8.312 3.691 666 HB VAL 85 HB VAL 85 2.800 -7.040 2.864 667 HG11 VAL 85 1HG1 VAL 85 1.529 -5.636 1.314 668 HG12 VAL 85 2HG1 VAL 85 0.106 -5.790 2.344 669 HG13 VAL 85 3HG1 VAL 85 0.767 -7.211 1.536 670 HG21 VAL 85 3HG2 VAL 85 1.449 -4.721 4.244 671 HG22 VAL 85 1HG2 VAL 85 2.816 -4.602 3.137 672 HG23 VAL 85 2HG2 VAL 85 3.003 -5.431 4.683 673 H THR 86 H THR 86 2.303 -9.733 4.315 674 HA THR 86 HA THR 86 3.537 -9.417 6.905 675 HB THR 86 HB THR 86 4.109 -11.664 4.986 676 HG1 THR 86 HG1 THR 86 1.846 -11.483 6.738 677 HG21 THR 86 3HG2 THR 86 3.886 -11.516 7.997 678 HG22 THR 86 1HG2 THR 86 5.386 -11.589 7.070 679 HG23 THR 86 2HG2 THR 86 4.279 -12.961 7.066 680 H LEU 87 H LEU 87 5.219 -8.049 6.958 681 HA LEU 87 HA LEU 87 7.124 -8.063 4.725 682 HB2 LEU 87 1HB LEU 87 6.711 -6.060 6.945 683 HB3 LEU 87 2HB LEU 87 7.942 -5.932 5.705 684 HG LEU 87 HG LEU 87 4.960 -5.885 5.225 685 HD11 LEU 87 1HD1 LEU 87 5.316 -3.539 4.653 686 HD12 LEU 87 2HD1 LEU 87 7.019 -3.686 5.092 687 HD13 LEU 87 3HD1 LEU 87 5.772 -3.865 6.326 688 HD21 LEU 87 3HD2 LEU 87 5.562 -5.287 2.929 689 HD22 LEU 87 1HD2 LEU 87 6.169 -6.886 3.361 690 HD23 LEU 87 2HD2 LEU 87 7.268 -5.507 3.318 691 H GLN 88 H GLN 88 9.146 -8.751 4.967 692 HA GLN 88 HA GLN 88 9.924 -9.849 7.547 693 HB2 GLN 88 1HB GLN 88 10.240 -11.352 5.737 694 HB3 GLN 88 2HB GLN 88 11.025 -10.124 4.756 695 HG2 GLN 88 1HG GLN 88 12.993 -10.205 6.054 696 HG3 GLN 88 2HG GLN 88 12.204 -11.147 7.319 697 HE21 GLN 88 2HE2 GLN 88 13.880 -12.680 7.125 698 HE22 GLN 88 1HE2 GLN 88 13.882 -13.843 5.834 699 H LEU 89 H LEU 89 10.817 -8.441 8.892 700 HA LEU 89 HA LEU 89 12.635 -6.400 7.861 701 HB2 LEU 89 1HB LEU 89 11.448 -6.856 10.593 702 HB3 LEU 89 2HB LEU 89 12.653 -5.625 10.262 703 HG LEU 89 HG LEU 89 9.904 -5.775 9.031 704 HD11 LEU 89 1HD1 LEU 89 9.860 -5.122 11.377 705 HD12 LEU 89 2HD1 LEU 89 9.477 -3.750 10.336 706 HD13 LEU 89 3HD1 LEU 89 11.079 -3.887 11.064 707 HD21 LEU 89 3HD2 LEU 89 12.077 -3.708 8.727 708 HD22 LEU 89 1HD2 LEU 89 10.441 -3.587 8.081 709 HD23 LEU 89 2HD2 LEU 89 11.534 -4.836 7.484 710 H GLU 90 H GLU 90 14.697 -6.705 7.806 711 HA GLU 90 HA GLU 90 15.881 -8.844 9.449 712 HB2 GLU 90 1HB GLU 90 16.721 -7.698 6.783 713 HB3 GLU 90 2HB GLU 90 17.716 -8.804 7.720 714 HG2 GLU 90 1HG GLU 90 14.954 -9.416 6.691 715 HG3 GLU 90 2HG GLU 90 16.461 -9.921 5.929 716 H HIS 91 H HIS 91 17.939 -8.499 10.382 717 HA HIS 91 HA HIS 91 18.311 -5.765 11.285 718 HB2 HIS 91 1HB HIS 91 18.421 -7.684 12.863 719 HB3 HIS 91 2HB HIS 91 19.833 -8.286 12.006 720 HD1 HIS 91 HD1 HIS 91 18.781 -5.895 14.617 721 HD2 HIS 91 HD2 HIS 91 22.194 -6.709 12.382 722 HE1 HIS 91 HE1 HIS 91 20.664 -4.727 15.802 723 HE2 HIS 91 HE2 HIS 91 22.738 -5.431 14.561 724 H HIS 92 H HIS 92 19.256 -4.515 9.782 725 HA HIS 92 HA HIS 92 21.416 -5.598 8.143 726 HB2 HIS 92 1HB HIS 92 19.602 -4.364 7.034 727 HB3 HIS 92 2HB HIS 92 19.967 -2.942 8.003 728 HD1 HIS 92 HD1 HIS 92 21.552 -5.101 5.309 729 HD2 HIS 92 HD2 HIS 92 21.839 -1.280 6.927 730 HE1 HIS 92 HE1 HIS 92 23.150 -3.853 3.825 731 HE2 HIS 92 HE2 HIS 92 23.513 -1.652 4.993 732 H HIS 93 H HIS 93 23.512 -4.941 8.231 733 HA HIS 93 HA HIS 93 24.363 -3.554 10.616 734 HB2 HIS 93 1HB HIS 93 25.866 -4.742 8.281 735 HB3 HIS 93 2HB HIS 93 26.669 -3.895 9.598 736 HD1 HIS 93 HD1 HIS 93 27.370 -5.310 11.500 737 HD2 HIS 93 HD2 HIS 93 24.329 -7.080 9.283 738 HE1 HIS 93 HE1 HIS 93 27.031 -7.588 12.510 739 HE2 HIS 93 HE2 HIS 93 25.053 -8.551 11.281 740 H HIS 94 H HIS 94 25.312 -1.541 10.761 741 HA HIS 94 HA HIS 94 24.783 0.198 8.451 742 HB2 HIS 94 1HB HIS 94 24.942 0.698 11.403 743 HB3 HIS 94 2HB HIS 94 25.153 2.022 10.266 744 HD1 HIS 94 HD1 HIS 94 23.094 3.019 9.236 745 HD2 HIS 94 HD2 HIS 94 22.332 -0.481 11.358 746 HE1 HIS 94 HE1 HIS 94 20.589 2.855 9.410 747 HE2 HIS 94 HE2 HIS 94 20.196 0.909 10.958 748 H HIS 95 H HIS 95 26.374 1.196 7.383 749 HA HIS 95 HA HIS 95 29.018 1.427 8.624 750 HB2 HIS 95 1HB HIS 95 27.999 2.391 5.932 751 HB3 HIS 95 2HB HIS 95 29.649 2.591 6.506 752 HD1 HIS 95 HD1 HIS 95 30.849 0.146 7.102 753 HD2 HIS 95 HD2 HIS 95 27.664 0.185 4.427 754 HE1 HIS 95 HE1 HIS 95 31.038 -1.991 5.789 755 HE2 HIS 95 HE2 HIS 95 28.976 -2.046 4.342 756 H HIS 96 H HIS 96 26.167 3.192 7.753 757 HA HIS 96 HA HIS 96 26.881 5.290 9.650 758 HB2 HIS 96 1HB HIS 96 25.912 5.750 6.822 759 HB3 HIS 96 2HB HIS 96 25.789 6.971 8.082 760 HD1 HIS 96 HD1 HIS 96 28.061 5.623 5.567 761 HD2 HIS 96 HD2 HIS 96 28.389 7.831 9.078 762 HE1 HIS 96 HE1 HIS 96 30.358 6.652 5.511 763 HE2 HIS 96 HE2 HIS 96 30.450 8.148 7.542 Start of MODEL 17 1 H1 SER 1 1H SER 1 -25.706 5.748 -22.450 2 H2 SER 1 2H SER 1 -25.131 4.171 -22.669 3 H3 SER 1 3H SER 1 -24.056 5.478 -22.731 4 HA SER 1 HA SER 1 -24.482 5.973 -20.417 5 HB2 SER 1 1HB SER 1 -26.089 3.408 -20.468 6 HB3 SER 1 2HB SER 1 -25.787 4.426 -19.060 7 HG SER 1 HG SER 1 -27.016 6.054 -19.988 8 H SER 2 H SER 2 -23.934 2.910 -22.079 9 HA SER 2 HA SER 2 -21.902 2.059 -20.228 10 HB2 SER 2 1HB SER 2 -22.406 1.065 -23.043 11 HB3 SER 2 2HB SER 2 -21.578 0.211 -21.740 12 HG SER 2 HG SER 2 -23.474 -0.145 -20.729 13 H GLN 3 H GLN 3 -20.002 3.081 -20.127 14 HA GLN 3 HA GLN 3 -19.116 4.632 -22.436 15 HB2 GLN 3 1HB GLN 3 -18.228 4.610 -19.550 16 HB3 GLN 3 2HB GLN 3 -17.489 5.609 -20.796 17 HG2 GLN 3 1HG GLN 3 -19.550 6.792 -21.142 18 HG3 GLN 3 2HG GLN 3 -20.396 5.717 -20.032 19 HE21 GLN 3 2HE2 GLN 3 -18.187 5.640 -18.142 20 HE22 GLN 3 1HE2 GLN 3 -18.208 7.161 -17.322 21 H THR 4 H THR 4 -16.739 4.709 -22.845 22 HA THR 4 HA THR 4 -15.736 2.067 -23.311 23 HB THR 4 HB THR 4 -14.204 4.666 -23.554 24 HG1 THR 4 HG1 THR 4 -16.439 4.137 -24.759 25 HG21 THR 4 3HG2 THR 4 -12.977 3.473 -25.306 26 HG22 THR 4 1HG2 THR 4 -13.957 2.034 -25.021 27 HG23 THR 4 2HG2 THR 4 -12.863 2.620 -23.767 28 H LEU 5 H LEU 5 -15.282 4.545 -20.923 29 HA LEU 5 HA LEU 5 -13.164 3.038 -19.589 30 HB2 LEU 5 1HB LEU 5 -14.419 5.706 -18.918 31 HB3 LEU 5 2HB LEU 5 -13.097 4.966 -18.036 32 HG LEU 5 HG LEU 5 -12.990 5.876 -20.913 33 HD11 LEU 5 1HD1 LEU 5 -13.089 7.740 -19.350 34 HD12 LEU 5 2HD1 LEU 5 -11.486 7.609 -20.071 35 HD13 LEU 5 3HD1 LEU 5 -11.759 7.046 -18.422 36 HD21 LEU 5 3HD2 LEU 5 -11.552 3.950 -20.510 37 HD22 LEU 5 1HD2 LEU 5 -10.837 4.763 -19.117 38 HD23 LEU 5 2HD2 LEU 5 -10.592 5.411 -20.738 39 H ASP 6 H ASP 6 -13.417 2.280 -17.446 40 HA ASP 6 HA ASP 6 -16.116 1.362 -16.924 41 HB2 ASP 6 1HB ASP 6 -13.811 0.065 -16.699 42 HB3 ASP 6 2HB ASP 6 -13.837 0.766 -15.084 43 H ARG 7 H ARG 7 -16.809 1.347 -14.538 44 HA ARG 7 HA ARG 7 -16.694 4.125 -13.634 45 HB2 ARG 7 1HB ARG 7 -18.451 1.858 -12.679 46 HB3 ARG 7 2HB ARG 7 -18.608 3.549 -12.227 47 HG2 ARG 7 1HG ARG 7 -19.078 4.091 -14.595 48 HG3 ARG 7 2HG ARG 7 -19.040 2.363 -14.960 49 HD2 ARG 7 1HD ARG 7 -20.853 2.022 -13.310 50 HD3 ARG 7 2HD ARG 7 -20.928 3.766 -13.073 51 HE ARG 7 HE ARG 7 -21.746 2.290 -15.473 52 HH11 ARG 7 1HH1 ARG 7 -21.510 5.307 -13.702 53 HH12 ARG 7 2HH1 ARG 7 -22.634 6.137 -14.733 54 HH21 ARG 7 1HH2 ARG 7 -23.224 3.384 -16.832 55 HH22 ARG 7 2HH2 ARG 7 -23.606 5.056 -16.515 56 H ASP 8 H ASP 8 -15.417 1.062 -12.877 57 HA ASP 8 HA ASP 8 -14.621 2.007 -10.198 58 HB2 ASP 8 1HB ASP 8 -14.886 -0.851 -11.164 59 HB3 ASP 8 2HB ASP 8 -14.361 -0.356 -9.559 60 HA PRO 9 HA PRO 9 -10.652 1.833 -12.468 61 HB2 PRO 9 1HB PRO 9 -9.852 3.802 -10.452 62 HB3 PRO 9 2HB PRO 9 -9.830 3.936 -12.212 63 HG2 PRO 9 1HG PRO 9 -11.571 5.322 -10.689 64 HG3 PRO 9 2HG PRO 9 -11.988 4.736 -12.310 65 HD2 PRO 9 1HD PRO 9 -12.700 3.584 -9.637 66 HD3 PRO 9 2HD PRO 9 -13.710 3.771 -11.087 67 H THR 10 H THR 10 -9.197 0.347 -11.934 68 HA THR 10 HA THR 10 -8.874 -0.397 -9.119 69 HB THR 10 HB THR 10 -7.628 -1.769 -11.505 70 HG1 THR 10 HG1 THR 10 -10.216 -1.565 -10.945 71 HG21 THR 10 3HG2 THR 10 -6.703 -2.352 -9.311 72 HG22 THR 10 1HG2 THR 10 -7.596 -3.709 -9.998 73 HG23 THR 10 2HG2 THR 10 -8.323 -2.730 -8.723 74 H LEU 11 H LEU 11 -7.582 1.159 -8.274 75 HA LEU 11 HA LEU 11 -5.478 2.307 -9.885 76 HB2 LEU 11 1HB LEU 11 -7.080 3.540 -8.292 77 HB3 LEU 11 2HB LEU 11 -6.041 2.953 -7.007 78 HG LEU 11 HG LEU 11 -4.127 4.118 -8.035 79 HD11 LEU 11 1HD1 LEU 11 -6.196 5.176 -9.957 80 HD12 LEU 11 2HD1 LEU 11 -4.889 4.061 -10.354 81 HD13 LEU 11 3HD1 LEU 11 -4.517 5.708 -9.846 82 HD21 LEU 11 3HD2 LEU 11 -5.441 5.226 -6.306 83 HD22 LEU 11 1HD2 LEU 11 -6.533 5.865 -7.535 84 HD23 LEU 11 2HD2 LEU 11 -4.848 6.388 -7.492 85 H THR 12 H THR 12 -3.564 1.403 -10.003 86 HA THR 12 HA THR 12 -2.591 -0.265 -7.819 87 HB THR 12 HB THR 12 -1.336 0.218 -10.531 88 HG1 THR 12 HG1 THR 12 -3.180 -0.828 -11.032 89 HG21 THR 12 3HG2 THR 12 -0.906 -1.964 -8.485 90 HG22 THR 12 1HG2 THR 12 0.214 -0.651 -8.847 91 HG23 THR 12 2HG2 THR 12 -0.139 -1.871 -10.071 92 H LEU 13 H LEU 13 -1.765 0.948 -6.237 93 HA LEU 13 HA LEU 13 -0.049 3.241 -6.898 94 HB2 LEU 13 1HB LEU 13 -1.326 2.417 -4.286 95 HB3 LEU 13 2HB LEU 13 -0.329 3.842 -4.513 96 HG LEU 13 HG LEU 13 -2.978 3.346 -5.873 97 HD11 LEU 13 1HD1 LEU 13 -3.244 3.729 -3.483 98 HD12 LEU 13 2HD1 LEU 13 -3.811 5.119 -4.409 99 HD13 LEU 13 3HD1 LEU 13 -2.248 5.180 -3.594 100 HD21 LEU 13 3HD2 LEU 13 -1.467 4.699 -7.217 101 HD22 LEU 13 1HD2 LEU 13 -1.173 5.759 -5.839 102 HD23 LEU 13 2HD2 LEU 13 -2.778 5.684 -6.568 103 H SER 14 H SER 14 1.692 3.530 -5.035 104 HA SER 14 HA SER 14 3.200 1.009 -4.979 105 HB2 SER 14 1HB SER 14 4.233 3.829 -4.586 106 HB3 SER 14 2HB SER 14 5.195 2.369 -4.822 107 HG SER 14 HG SER 14 4.258 2.196 -6.917 108 H LEU 15 H LEU 15 3.845 0.120 -3.083 109 HA LEU 15 HA LEU 15 2.848 1.283 -0.615 110 HB2 LEU 15 1HB LEU 15 2.627 -1.142 -1.070 111 HB3 LEU 15 2HB LEU 15 4.373 -1.283 -1.095 112 HG LEU 15 HG LEU 15 4.425 -0.566 1.287 113 HD11 LEU 15 1HD1 LEU 15 1.428 -0.805 1.075 114 HD12 LEU 15 2HD1 LEU 15 2.337 0.685 1.331 115 HD13 LEU 15 3HD1 LEU 15 2.345 -0.576 2.564 116 HD21 LEU 15 3HD2 LEU 15 3.594 -2.677 2.192 117 HD22 LEU 15 1HD2 LEU 15 4.478 -2.930 0.687 118 HD23 LEU 15 2HD2 LEU 15 2.714 -2.978 0.693 119 H ILE 16 H ILE 16 4.038 2.530 0.672 120 HA ILE 16 HA ILE 16 6.968 2.457 0.344 121 HB ILE 16 HB ILE 16 7.034 4.842 0.926 122 HG12 ILE 16 1HG1 ILE 16 4.016 4.761 0.697 123 HG13 ILE 16 2HG1 ILE 16 4.898 4.884 2.216 124 HG21 ILE 16 1HG2 ILE 16 6.149 5.716 -1.188 125 HG22 ILE 16 2HG2 ILE 16 5.253 4.215 -1.426 126 HG23 ILE 16 3HG2 ILE 16 7.017 4.197 -1.416 127 HD11 ILE 16 3HD1 ILE 16 4.069 7.046 1.498 128 HD12 ILE 16 1HD1 ILE 16 4.951 6.895 -0.021 129 HD13 ILE 16 2HD1 ILE 16 5.833 7.019 1.501 130 H ALA 17 H ALA 17 8.238 2.631 2.170 131 HA ALA 17 HA ALA 17 6.948 1.924 4.672 132 HB1 ALA 17 3HB ALA 17 9.875 2.305 4.029 133 HB2 ALA 17 1HB ALA 17 9.006 0.771 4.006 134 HB3 ALA 17 2HB ALA 17 9.221 1.640 5.526 135 H LYS 18 H LYS 18 6.232 3.445 6.017 136 HA LYS 18 HA LYS 18 6.818 6.186 5.546 137 HB2 LYS 18 1HB LYS 18 4.616 5.400 6.361 138 HB3 LYS 18 2HB LYS 18 5.367 4.937 7.881 139 HG2 LYS 18 1HG LYS 18 4.250 7.028 8.176 140 HG3 LYS 18 2HG LYS 18 5.991 7.307 8.242 141 HD2 LYS 18 1HD LYS 18 5.918 8.002 5.862 142 HD3 LYS 18 2HD LYS 18 4.163 7.829 5.898 143 HE2 LYS 18 1HE LYS 18 5.779 9.684 7.643 144 HE3 LYS 18 2HE LYS 18 4.881 10.162 6.205 145 HZ1 LYS 18 3HZ LYS 18 3.677 8.968 8.648 146 HZ2 LYS 18 1HZ LYS 18 2.834 9.510 7.279 147 HZ3 LYS 18 2HZ LYS 18 3.666 10.617 8.256 148 H ASN 19 H ASN 19 7.056 4.612 8.695 149 HA ASN 19 HA ASN 19 9.721 5.812 8.954 150 HB2 ASN 19 1HB ASN 19 8.219 7.142 10.311 151 HB3 ASN 19 2HB ASN 19 7.570 5.695 11.077 152 HD21 ASN 19 2HD2 ASN 19 8.124 6.422 13.125 153 HD22 ASN 19 1HD2 ASN 19 9.762 6.419 13.688 154 H THR 20 H THR 20 10.407 3.711 8.207 155 HA THR 20 HA THR 20 10.307 1.651 10.270 156 HB THR 20 HB THR 20 10.205 0.883 7.943 157 HG1 THR 20 HG1 THR 20 11.234 -0.453 9.542 158 HG21 THR 20 3HG2 THR 20 12.988 2.020 7.676 159 HG22 THR 20 1HG2 THR 20 11.540 2.610 6.861 160 HG23 THR 20 2HG2 THR 20 12.173 1.007 6.484 161 HA PRO 21 HA PRO 21 13.662 3.374 12.537 162 HB2 PRO 21 1HB PRO 21 14.121 0.533 13.292 163 HB3 PRO 21 2HB PRO 21 13.913 1.954 14.321 164 HG2 PRO 21 1HG PRO 21 11.941 0.199 14.046 165 HG3 PRO 21 2HG PRO 21 11.603 1.940 14.103 166 HD2 PRO 21 1HD PRO 21 11.667 0.095 11.749 167 HD3 PRO 21 2HD PRO 21 10.565 1.443 12.097 168 H ALA 22 H ALA 22 15.925 3.329 12.690 169 HA ALA 22 HA ALA 22 17.198 2.778 10.224 170 HB1 ALA 22 3HB ALA 22 17.791 4.678 11.632 171 HB2 ALA 22 1HB ALA 22 19.194 3.663 11.300 172 HB3 ALA 22 2HB ALA 22 18.394 3.577 12.870 173 H ASN 23 H ASN 23 16.726 0.916 13.045 174 HA ASN 23 HA ASN 23 19.073 -0.744 12.684 175 HB2 ASN 23 1HB ASN 23 16.746 -1.031 14.600 176 HB3 ASN 23 2HB ASN 23 18.221 -1.988 14.635 177 HD21 ASN 23 2HD2 ASN 23 17.047 -0.240 16.659 178 HD22 ASN 23 1HD2 ASN 23 18.263 0.938 17.028 179 H SER 24 H SER 24 16.113 -0.586 11.205 180 HA SER 24 HA SER 24 16.040 -3.489 10.757 181 HB2 SER 24 1HB SER 24 13.557 -3.049 10.233 182 HB3 SER 24 2HB SER 24 14.055 -3.006 11.924 183 HG SER 24 HG SER 24 13.764 -0.732 10.237 184 H MET 25 H MET 25 15.753 -4.243 8.704 185 HA MET 25 HA MET 25 15.660 -2.269 6.525 186 HB2 MET 25 1HB MET 25 17.986 -2.950 6.812 187 HB3 MET 25 2HB MET 25 17.523 -4.644 6.735 188 HG2 MET 25 1HG MET 25 16.759 -4.302 4.418 189 HG3 MET 25 2HG MET 25 17.312 -2.630 4.506 190 HE1 MET 25 3HE MET 25 19.056 -5.784 6.104 191 HE2 MET 25 1HE MET 25 20.131 -6.277 4.795 192 HE3 MET 25 2HE MET 25 18.383 -6.404 4.596 193 H ILE 26 H ILE 26 14.250 -2.783 4.940 194 HA ILE 26 HA ILE 26 12.581 -5.106 5.388 195 HB ILE 26 HB ILE 26 12.317 -3.120 3.135 196 HG12 ILE 26 1HG1 ILE 26 11.144 -2.939 5.922 197 HG13 ILE 26 2HG1 ILE 26 12.440 -1.924 5.300 198 HG21 ILE 26 1HG2 ILE 26 10.325 -4.893 4.548 199 HG22 ILE 26 2HG2 ILE 26 10.981 -5.142 2.929 200 HG23 ILE 26 3HG2 ILE 26 9.947 -3.751 3.258 201 HD11 ILE 26 3HD1 ILE 26 10.312 -0.762 5.261 202 HD12 ILE 26 1HD1 ILE 26 9.624 -2.031 4.248 203 HD13 ILE 26 2HD1 ILE 26 10.921 -1.012 3.624 204 H MET 27 H MET 27 13.049 -7.026 4.543 205 HA MET 27 HA MET 27 14.760 -7.277 2.219 206 HB2 MET 27 1HB MET 27 13.335 -9.335 3.913 207 HB3 MET 27 2HB MET 27 14.367 -9.738 2.547 208 HG2 MET 27 1HG MET 27 15.256 -8.227 4.991 209 HG3 MET 27 2HG MET 27 15.491 -9.954 4.726 210 HE1 MET 27 3HE MET 27 17.940 -10.030 1.697 211 HE2 MET 27 1HE MET 27 16.181 -10.148 1.668 212 HE3 MET 27 2HE MET 27 17.100 -10.981 2.921 213 H THR 28 H THR 28 11.381 -7.791 3.055 214 HA THR 28 HA THR 28 10.545 -8.788 0.548 215 HB THR 28 HB THR 28 8.919 -7.250 2.590 216 HG1 THR 28 HG1 THR 28 9.022 -10.072 2.358 217 HG21 THR 28 3HG2 THR 28 7.800 -7.464 0.423 218 HG22 THR 28 1HG2 THR 28 7.010 -8.465 1.641 219 HG23 THR 28 2HG2 THR 28 8.073 -9.205 0.446 220 H LYS 29 H LYS 29 10.766 -7.697 -1.300 221 HA LYS 29 HA LYS 29 11.108 -4.944 -1.580 222 HB2 LYS 29 1HB LYS 29 10.060 -6.976 -3.559 223 HB3 LYS 29 2HB LYS 29 10.505 -5.327 -3.979 224 HG2 LYS 29 1HG LYS 29 12.799 -5.754 -3.292 225 HG3 LYS 29 2HG LYS 29 12.361 -7.399 -2.826 226 HD2 LYS 29 1HD LYS 29 11.825 -7.955 -5.104 227 HD3 LYS 29 2HD LYS 29 12.068 -6.283 -5.612 228 HE2 LYS 29 1HE LYS 29 14.201 -8.075 -4.455 229 HE3 LYS 29 2HE LYS 29 13.975 -7.748 -6.172 230 HZ1 LYS 29 3HZ LYS 29 15.675 -6.322 -5.375 231 HZ2 LYS 29 1HZ LYS 29 14.735 -5.803 -4.059 232 HZ3 LYS 29 2HZ LYS 29 14.309 -5.357 -5.641 233 H LEU 30 H LEU 30 9.750 -3.331 -1.289 234 HA LEU 30 HA LEU 30 7.037 -3.694 -0.626 235 HB2 LEU 30 1HB LEU 30 8.482 -1.188 -1.490 236 HB3 LEU 30 2HB LEU 30 6.896 -1.229 -0.745 237 HG LEU 30 HG LEU 30 9.461 -2.140 0.565 238 HD11 LEU 30 1HD1 LEU 30 9.190 -0.160 1.969 239 HD12 LEU 30 2HD1 LEU 30 7.791 0.329 1.011 240 HD13 LEU 30 3HD1 LEU 30 9.392 0.274 0.272 241 HD21 LEU 30 3HD2 LEU 30 8.113 -2.285 2.597 242 HD22 LEU 30 1HD2 LEU 30 7.514 -3.382 1.352 243 HD23 LEU 30 2HD2 LEU 30 6.668 -1.868 1.674 244 HA PRO 31 HA PRO 31 5.811 -4.094 -4.896 245 HB2 PRO 31 1HB PRO 31 3.521 -5.394 -4.468 246 HB3 PRO 31 2HB PRO 31 5.080 -6.171 -4.169 247 HG2 PRO 31 1HG PRO 31 3.149 -4.984 -2.225 248 HG3 PRO 31 2HG PRO 31 4.130 -6.452 -2.078 249 HD2 PRO 31 1HD PRO 31 4.761 -3.975 -0.979 250 HD3 PRO 31 2HD PRO 31 5.907 -5.302 -1.250 251 H SER 32 H SER 32 3.433 -3.924 -5.913 252 HA SER 32 HA SER 32 2.507 -1.228 -5.286 253 HB2 SER 32 1HB SER 32 1.753 -2.969 -7.642 254 HB3 SER 32 2HB SER 32 1.542 -1.226 -7.485 255 HG SER 32 HG SER 32 3.658 -2.585 -8.406 256 H VAL 33 H VAL 33 0.520 -0.823 -4.491 257 HA VAL 33 HA VAL 33 -1.151 -3.126 -3.789 258 HB VAL 33 HB VAL 33 -2.279 -1.685 -2.210 259 HG11 VAL 33 1HG1 VAL 33 -0.398 -1.054 -0.739 260 HG12 VAL 33 2HG1 VAL 33 0.712 -1.335 -2.081 261 HG13 VAL 33 3HG1 VAL 33 -0.226 -2.673 -1.418 262 HG21 VAL 33 3HG2 VAL 33 -2.323 0.374 -3.506 263 HG22 VAL 33 1HG2 VAL 33 -0.583 0.562 -3.294 264 HG23 VAL 33 2HG2 VAL 33 -1.657 0.665 -1.899 265 H ARG 34 H ARG 34 -3.307 -3.279 -4.458 266 HA ARG 34 HA ARG 34 -4.085 -1.301 -6.502 267 HB2 ARG 34 1HB ARG 34 -4.793 -4.236 -6.541 268 HB3 ARG 34 2HB ARG 34 -5.106 -3.050 -7.802 269 HG2 ARG 34 1HG ARG 34 -2.635 -2.774 -8.044 270 HG3 ARG 34 2HG ARG 34 -2.438 -4.130 -6.933 271 HD2 ARG 34 1HD ARG 34 -2.284 -5.055 -9.088 272 HD3 ARG 34 2HD ARG 34 -3.903 -5.455 -8.516 273 HE ARG 34 HE ARG 34 -3.512 -3.095 -10.223 274 HH11 ARG 34 1HH1 ARG 34 -4.924 -6.257 -9.674 275 HH12 ARG 34 2HH1 ARG 34 -5.860 -6.229 -11.136 276 HH21 ARG 34 1HH2 ARG 34 -4.770 -3.047 -12.141 277 HH22 ARG 34 2HH2 ARG 34 -5.788 -4.410 -12.532 278 H VAL 35 H VAL 35 -5.833 -0.203 -5.974 279 HA VAL 35 HA VAL 35 -7.703 -1.434 -4.064 280 HB VAL 35 HB VAL 35 -8.360 0.869 -3.420 281 HG11 VAL 35 1HG1 VAL 35 -6.728 -0.353 -2.096 282 HG12 VAL 35 2HG1 VAL 35 -6.341 1.367 -2.119 283 HG13 VAL 35 3HG1 VAL 35 -5.425 0.244 -3.124 284 HG21 VAL 35 3HG2 VAL 35 -6.925 2.754 -4.056 285 HG22 VAL 35 1HG2 VAL 35 -7.728 2.045 -5.458 286 HG23 VAL 35 2HG2 VAL 35 -6.027 1.697 -5.147 287 H LYS 36 H LYS 36 -9.804 -1.592 -4.545 288 HA LYS 36 HA LYS 36 -10.719 -0.714 -7.164 289 HB2 LYS 36 1HB LYS 36 -11.374 -2.957 -6.309 290 HB3 LYS 36 2HB LYS 36 -12.208 -2.182 -4.969 291 HG2 LYS 36 1HG LYS 36 -13.700 -1.061 -6.593 292 HG3 LYS 36 2HG LYS 36 -12.904 -1.951 -7.892 293 HD2 LYS 36 1HD LYS 36 -13.544 -4.066 -6.719 294 HD3 LYS 36 2HD LYS 36 -14.491 -3.090 -5.597 295 HE2 LYS 36 1HE LYS 36 -14.890 -3.155 -8.586 296 HE3 LYS 36 2HE LYS 36 -15.833 -4.088 -7.428 297 HZ1 LYS 36 3HZ LYS 36 -15.729 -1.126 -7.662 298 HZ2 LYS 36 1HZ LYS 36 -16.522 -1.953 -6.410 299 HZ3 LYS 36 2HZ LYS 36 -17.038 -2.137 -8.011 300 H THR 37 H THR 37 -11.685 1.186 -7.442 301 HA THR 37 HA THR 37 -12.863 2.497 -5.089 302 HB THR 37 HB THR 37 -12.091 4.680 -6.115 303 HG1 THR 37 HG1 THR 37 -10.709 2.831 -7.761 304 HG21 THR 37 3HG2 THR 37 -10.995 3.724 -4.154 305 HG22 THR 37 1HG2 THR 37 -9.817 4.506 -5.210 306 HG23 THR 37 2HG2 THR 37 -9.960 2.748 -5.196 307 H GLU 38 H GLU 38 -14.509 4.082 -5.577 308 HA GLU 38 HA GLU 38 -15.828 3.608 -8.171 309 HB2 GLU 38 1HB GLU 38 -17.107 4.454 -5.562 310 HB3 GLU 38 2HB GLU 38 -17.946 4.158 -7.076 311 HG2 GLU 38 1HG GLU 38 -17.219 1.800 -6.973 312 HG3 GLU 38 2HG GLU 38 -16.492 2.127 -5.400 313 H GLY 39 H GLY 39 -15.471 5.277 -9.485 314 HA2 GLY 39 1HA GLY 39 -16.396 7.713 -9.547 315 HA3 GLY 39 2HA GLY 39 -15.144 7.958 -8.337 316 H TYR 40 H TYR 40 -14.230 9.505 -9.839 317 HA TYR 40 HA TYR 40 -12.443 8.176 -11.735 318 HB2 TYR 40 1HB TYR 40 -14.230 10.526 -12.353 319 HB3 TYR 40 2HB TYR 40 -12.777 10.185 -13.287 320 HD1 TYR 40 HD2 TYR 40 -12.594 7.955 -14.458 321 HD2 TYR 40 HD1 TYR 40 -16.244 9.362 -12.785 322 HE1 TYR 40 HE2 TYR 40 -13.838 6.347 -15.837 323 HE2 TYR 40 HE1 TYR 40 -17.499 7.754 -14.159 324 HH TYR 40 HH TYR 40 -16.003 5.186 -15.800 325 H ASN 41 H ASN 41 -10.555 9.495 -12.292 326 HA ASN 41 HA ASN 41 -9.900 11.387 -10.141 327 HB2 ASN 41 1HB ASN 41 -7.551 10.298 -10.212 328 HB3 ASN 41 2HB ASN 41 -8.837 9.479 -9.338 329 HD21 ASN 41 2HD2 ASN 41 -7.911 7.466 -9.510 330 HD22 ASN 41 1HD2 ASN 41 -7.813 6.600 -11.002 331 HA PRO 42 HA PRO 42 -8.692 13.335 -14.102 332 HB2 PRO 42 1HB PRO 42 -9.714 15.801 -12.991 333 HB3 PRO 42 2HB PRO 42 -10.325 14.876 -14.365 334 HG2 PRO 42 1HG PRO 42 -11.666 15.146 -11.993 335 HG3 PRO 42 2HG PRO 42 -11.872 13.773 -13.094 336 HD2 PRO 42 1HD PRO 42 -10.247 13.966 -10.586 337 HD3 PRO 42 2HD PRO 42 -11.251 12.624 -11.179 338 H SER 43 H SER 43 -8.664 15.472 -11.249 339 HA SER 43 HA SER 43 -6.008 16.387 -11.919 340 HB2 SER 43 1HB SER 43 -6.399 17.856 -9.879 341 HB3 SER 43 2HB SER 43 -7.543 18.067 -11.207 342 HG SER 43 HG SER 43 -8.702 17.902 -9.305 343 H ILE 44 H ILE 44 -7.315 13.914 -10.085 344 HA ILE 44 HA ILE 44 -5.396 13.870 -7.960 345 HB ILE 44 HB ILE 44 -7.262 11.696 -8.929 346 HG12 ILE 44 1HG1 ILE 44 -7.549 13.653 -6.637 347 HG13 ILE 44 2HG1 ILE 44 -8.410 13.755 -8.169 348 HG21 ILE 44 1HG2 ILE 44 -5.705 11.936 -6.357 349 HG22 ILE 44 2HG2 ILE 44 -5.404 10.782 -7.656 350 HG23 ILE 44 3HG2 ILE 44 -6.896 10.688 -6.722 351 HD11 ILE 44 3HD1 ILE 44 -9.519 11.639 -7.687 352 HD12 ILE 44 1HD1 ILE 44 -9.813 12.830 -6.419 353 HD13 ILE 44 2HD1 ILE 44 -8.649 11.530 -6.157 354 H ASN 45 H ASN 45 -3.350 13.393 -8.265 355 HA ASN 45 HA ASN 45 -2.498 11.983 -10.650 356 HB2 ASN 45 1HB ASN 45 -0.910 13.222 -8.392 357 HB3 ASN 45 2HB ASN 45 -0.207 12.513 -9.841 358 HD21 ASN 45 2HD2 ASN 45 -2.047 15.158 -8.543 359 HD22 ASN 45 1HD2 ASN 45 -1.866 16.209 -9.904 360 H VAL 46 H VAL 46 -2.185 9.884 -10.738 361 HA VAL 46 HA VAL 46 -2.484 8.153 -8.538 362 HB VAL 46 HB VAL 46 -1.125 7.526 -11.163 363 HG11 VAL 46 1HG1 VAL 46 -2.542 5.756 -9.177 364 HG12 VAL 46 2HG1 VAL 46 -0.803 5.814 -9.468 365 HG13 VAL 46 3HG1 VAL 46 -1.890 5.238 -10.732 366 HG21 VAL 46 3HG2 VAL 46 -3.296 8.531 -11.584 367 HG22 VAL 46 1HG2 VAL 46 -4.054 7.409 -10.453 368 HG23 VAL 46 2HG2 VAL 46 -3.338 6.805 -11.947 369 H ASN 47 H ASN 47 0.335 9.536 -10.125 370 HA ASN 47 HA ASN 47 2.268 7.979 -8.717 371 HB2 ASN 47 1HB ASN 47 2.719 9.121 -10.879 372 HB3 ASN 47 2HB ASN 47 2.608 10.673 -10.059 373 HD21 ASN 47 2HD2 ASN 47 4.481 7.767 -10.451 374 HD22 ASN 47 1HD2 ASN 47 5.948 8.377 -9.766 375 H GLU 48 H GLU 48 0.386 10.736 -7.922 376 HA GLU 48 HA GLU 48 2.164 11.633 -5.801 377 HB2 GLU 48 1HB GLU 48 0.884 13.241 -7.225 378 HB3 GLU 48 2HB GLU 48 -0.604 12.610 -6.535 379 HG2 GLU 48 1HG GLU 48 0.216 13.315 -4.295 380 HG3 GLU 48 2HG GLU 48 1.587 14.083 -5.095 381 H LEU 49 H LEU 49 -0.474 9.501 -6.238 382 HA LEU 49 HA LEU 49 -1.268 9.517 -3.451 383 HB2 LEU 49 1HB LEU 49 -2.024 7.655 -5.704 384 HB3 LEU 49 2HB LEU 49 -2.732 7.636 -4.099 385 HG LEU 49 HG LEU 49 -2.935 9.898 -6.089 386 HD11 LEU 49 1HD1 LEU 49 -4.978 7.908 -5.117 387 HD12 LEU 49 2HD1 LEU 49 -4.253 7.955 -6.724 388 HD13 LEU 49 3HD1 LEU 49 -5.295 9.273 -6.187 389 HD21 LEU 49 3HD2 LEU 49 -2.896 10.707 -3.786 390 HD22 LEU 49 1HD2 LEU 49 -4.177 9.572 -3.359 391 HD23 LEU 49 2HD2 LEU 49 -4.502 10.881 -4.494 392 H PHE 50 H PHE 50 -0.533 8.202 -1.890 393 HA PHE 50 HA PHE 50 1.284 6.026 -2.678 394 HB2 PHE 50 1HB PHE 50 1.693 8.003 -0.426 395 HB3 PHE 50 2HB PHE 50 2.693 6.585 -0.713 396 HD1 PHE 50 HD1 PHE 50 3.924 6.441 -2.940 397 HD2 PHE 50 HD2 PHE 50 2.175 10.025 -1.456 398 HE1 PHE 50 HE1 PHE 50 5.369 7.758 -4.431 399 HE2 PHE 50 HE2 PHE 50 3.616 11.349 -2.948 400 HZ PHE 50 HZ PHE 50 5.215 10.216 -4.437 401 H ALA 51 H ALA 51 1.375 4.245 -1.321 402 HA ALA 51 HA ALA 51 -0.604 4.138 0.865 403 HB1 ALA 51 3HB ALA 51 0.521 1.869 -0.781 404 HB2 ALA 51 1HB ALA 51 -1.097 2.555 -0.935 405 HB3 ALA 51 2HB ALA 51 -0.634 1.711 0.542 406 H TYR 52 H TYR 52 0.340 4.195 2.841 407 HA TYR 52 HA TYR 52 3.198 3.510 2.940 408 HB2 TYR 52 1HB TYR 52 3.400 5.029 4.842 409 HB3 TYR 52 2HB TYR 52 2.758 5.864 3.436 410 HD1 TYR 52 HD1 TYR 52 0.400 6.604 3.415 411 HD2 TYR 52 HD2 TYR 52 2.123 4.769 6.845 412 HE1 TYR 52 HE1 TYR 52 -1.457 7.445 4.791 413 HE2 TYR 52 HE2 TYR 52 0.269 5.597 8.228 414 HH TYR 52 HH TYR 52 -1.382 7.519 8.128 415 H VAL 53 H VAL 53 4.016 2.217 4.478 416 HA VAL 53 HA VAL 53 2.144 1.070 6.440 417 HB VAL 53 HB VAL 53 3.929 -0.745 6.690 418 HG11 VAL 53 1HG1 VAL 53 2.472 -0.512 4.061 419 HG12 VAL 53 2HG1 VAL 53 1.804 -1.136 5.569 420 HG13 VAL 53 3HG1 VAL 53 3.107 -2.002 4.756 421 HG21 VAL 53 3HG2 VAL 53 5.759 0.416 5.565 422 HG22 VAL 53 1HG2 VAL 53 4.846 0.412 4.056 423 HG23 VAL 53 2HG2 VAL 53 5.394 -1.110 4.759 424 H ASP 54 H ASP 54 2.409 1.733 8.478 425 HA ASP 54 HA ASP 54 4.762 3.318 9.083 426 HB2 ASP 54 1HB ASP 54 3.594 3.998 11.122 427 HB3 ASP 54 2HB ASP 54 2.586 4.245 9.705 428 H LEU 55 H LEU 55 6.310 1.744 9.135 429 HA LEU 55 HA LEU 55 6.197 -0.462 10.967 430 HB2 LEU 55 1HB LEU 55 8.128 0.617 8.996 431 HB3 LEU 55 2HB LEU 55 8.805 -0.314 10.316 432 HG LEU 55 HG LEU 55 7.411 -2.235 9.689 433 HD11 LEU 55 1HD1 LEU 55 5.517 -1.052 8.726 434 HD12 LEU 55 2HD1 LEU 55 6.176 -2.230 7.589 435 HD13 LEU 55 3HD1 LEU 55 6.524 -0.514 7.382 436 HD21 LEU 55 3HD2 LEU 55 9.647 -2.029 8.761 437 HD22 LEU 55 1HD2 LEU 55 9.015 -1.087 7.411 438 HD23 LEU 55 2HD2 LEU 55 8.554 -2.780 7.598 439 H SER 56 H SER 56 5.879 2.218 12.127 440 HA SER 56 HA SER 56 8.251 3.011 13.439 441 HB2 SER 56 1HB SER 56 5.381 3.484 14.279 442 HB3 SER 56 2HB SER 56 6.792 4.404 14.806 443 HG SER 56 HG SER 56 6.980 4.546 12.274 444 H GLY 57 H GLY 57 9.284 1.428 14.476 445 HA2 GLY 57 1HA GLY 57 9.260 0.478 16.847 446 HA3 GLY 57 2HA GLY 57 7.779 -0.311 16.309 447 H SER 58 H SER 58 7.935 -1.703 14.406 448 HA SER 58 HA SER 58 8.797 -3.384 13.169 449 HB2 SER 58 1HB SER 58 11.267 -1.657 13.312 450 HB3 SER 58 2HB SER 58 11.131 -3.090 12.293 451 HG SER 58 HG SER 58 9.338 -0.892 12.187 452 H GLU 59 H GLU 59 8.641 -5.113 14.560 453 HA GLU 59 HA GLU 59 10.963 -5.833 16.144 454 HB2 GLU 59 1HB GLU 59 8.436 -7.362 15.487 455 HB3 GLU 59 2HB GLU 59 9.716 -7.964 16.532 456 HG2 GLU 59 1HG GLU 59 7.959 -5.572 17.005 457 HG3 GLU 59 2HG GLU 59 7.948 -7.100 17.885 458 HA PRO 60 HA PRO 60 13.114 -7.312 12.545 459 HB2 PRO 60 1HB PRO 60 14.617 -8.849 14.604 460 HB3 PRO 60 2HB PRO 60 15.220 -7.776 13.335 461 HG2 PRO 60 1HG PRO 60 15.177 -6.984 15.878 462 HG3 PRO 60 2HG PRO 60 14.783 -5.860 14.564 463 HD2 PRO 60 1HD PRO 60 12.960 -7.258 16.473 464 HD3 PRO 60 2HD PRO 60 12.852 -5.616 15.806 465 H GLY 61 H GLY 61 12.100 -8.768 11.341 466 HA2 GLY 61 1HA GLY 61 12.350 -11.388 11.220 467 HA3 GLY 61 2HA GLY 61 11.170 -11.266 12.520 468 H GLU 62 H GLU 62 9.707 -12.424 11.146 469 HA GLU 62 HA GLU 62 8.746 -10.942 8.803 470 HB2 GLU 62 1HB GLU 62 9.385 -13.333 8.554 471 HB3 GLU 62 2HB GLU 62 8.132 -13.762 9.708 472 HG2 GLU 62 1HG GLU 62 6.429 -12.938 8.197 473 HG3 GLU 62 2HG GLU 62 7.672 -12.441 7.047 474 H HIS 63 H HIS 63 7.238 -9.480 9.373 475 HA HIS 63 HA HIS 63 5.086 -10.356 11.185 476 HB2 HIS 63 1HB HIS 63 6.574 -7.723 11.308 477 HB3 HIS 63 2HB HIS 63 5.069 -8.042 12.164 478 HD1 HIS 63 HD1 HIS 63 5.266 -9.104 14.424 479 HD2 HIS 63 HD2 HIS 63 8.768 -9.428 12.206 480 HE1 HIS 63 HE1 HIS 63 6.971 -10.097 15.983 481 HE2 HIS 63 HE2 HIS 63 8.988 -10.522 14.535 482 H ASP 64 H ASP 64 3.073 -9.286 10.903 483 HA ASP 64 HA ASP 64 2.668 -8.455 8.135 484 HB2 ASP 64 1HB ASP 64 0.657 -9.059 10.315 485 HB3 ASP 64 2HB ASP 64 0.268 -8.714 8.636 486 H TYR 65 H TYR 65 2.264 -6.430 7.525 487 HA TYR 65 HA TYR 65 1.514 -4.476 9.600 488 HB2 TYR 65 1HB TYR 65 3.418 -4.089 7.281 489 HB3 TYR 65 2HB TYR 65 2.804 -2.775 8.279 490 HD1 TYR 65 HD1 TYR 65 3.495 -2.582 10.639 491 HD2 TYR 65 HD2 TYR 65 5.143 -5.565 8.090 492 HE1 TYR 65 HE1 TYR 65 5.321 -2.938 12.246 493 HE2 TYR 65 HE2 TYR 65 6.973 -5.930 9.693 494 HH TYR 65 HH TYR 65 6.922 -4.682 12.866 495 H GLU 66 H GLU 66 0.192 -2.717 8.886 496 HA GLU 66 HA GLU 66 -1.730 -3.622 6.903 497 HB2 GLU 66 1HB GLU 66 -1.803 -1.160 8.647 498 HB3 GLU 66 2HB GLU 66 -3.148 -1.857 7.756 499 HG2 GLU 66 1HG GLU 66 -3.302 -3.689 9.205 500 HG3 GLU 66 2HG GLU 66 -1.710 -3.374 9.904 501 H VAL 67 H VAL 67 -2.014 -2.775 4.931 502 HA VAL 67 HA VAL 67 -0.293 -0.669 3.976 503 HB VAL 67 HB VAL 67 -2.601 -2.088 2.625 504 HG11 VAL 67 1HG1 VAL 67 -1.708 -1.164 0.540 505 HG12 VAL 67 2HG1 VAL 67 -0.505 -0.259 1.458 506 HG13 VAL 67 3HG1 VAL 67 -2.219 0.110 1.646 507 HG21 VAL 67 3HG2 VAL 67 -0.760 -3.589 3.147 508 HG22 VAL 67 1HG2 VAL 67 0.380 -2.484 2.381 509 HG23 VAL 67 2HG2 VAL 67 -0.845 -3.299 1.409 510 H LYS 68 H LYS 68 -0.719 1.365 4.533 511 HA LYS 68 HA LYS 68 -3.532 2.187 4.795 512 HB2 LYS 68 1HB LYS 68 -1.070 3.499 5.961 513 HB3 LYS 68 2HB LYS 68 -2.745 3.932 6.289 514 HG2 LYS 68 1HG LYS 68 -3.126 1.821 7.380 515 HG3 LYS 68 2HG LYS 68 -1.507 1.269 6.949 516 HD2 LYS 68 1HD LYS 68 -0.554 3.091 8.306 517 HD3 LYS 68 2HD LYS 68 -2.190 3.566 8.782 518 HE2 LYS 68 1HE LYS 68 -0.889 0.894 9.320 519 HE3 LYS 68 2HE LYS 68 -1.131 2.179 10.501 520 HZ1 LYS 68 3HZ LYS 68 -2.802 0.343 10.564 521 HZ2 LYS 68 1HZ LYS 68 -3.361 0.862 9.052 522 HZ3 LYS 68 2HZ LYS 68 -3.471 1.895 10.390 523 H VAL 69 H VAL 69 -4.222 3.159 3.021 524 HA VAL 69 HA VAL 69 -2.375 4.561 1.272 525 HB VAL 69 HB VAL 69 -5.359 4.177 0.951 526 HG11 VAL 69 1HG1 VAL 69 -4.925 4.562 -1.426 527 HG12 VAL 69 2HG1 VAL 69 -3.223 4.850 -1.068 528 HG13 VAL 69 3HG1 VAL 69 -4.453 5.950 -0.447 529 HG21 VAL 69 3HG2 VAL 69 -4.807 2.288 -0.512 530 HG22 VAL 69 1HG2 VAL 69 -4.273 2.012 1.146 531 HG23 VAL 69 2HG2 VAL 69 -3.103 2.469 -0.093 532 H GLU 70 H GLU 70 -2.522 6.764 0.744 533 HA GLU 70 HA GLU 70 -3.286 8.654 2.620 534 HB2 GLU 70 1HB GLU 70 -3.198 8.925 -0.396 535 HB3 GLU 70 2HB GLU 70 -3.309 10.275 0.721 536 HG2 GLU 70 1HG GLU 70 -1.038 8.307 0.692 537 HG3 GLU 70 2HG GLU 70 -1.032 9.833 -0.189 538 HA PRO 71 HA PRO 71 -7.727 8.343 2.530 539 HB2 PRO 71 1HB PRO 71 -8.232 10.817 3.648 540 HB3 PRO 71 2HB PRO 71 -7.853 9.360 4.571 541 HG2 PRO 71 1HG PRO 71 -6.069 11.618 3.774 542 HG3 PRO 71 2HG PRO 71 -6.122 10.714 5.299 543 HD2 PRO 71 1HD PRO 71 -4.234 10.250 3.440 544 HD3 PRO 71 2HD PRO 71 -4.906 8.943 4.437 545 H ILE 72 H ILE 72 -8.960 8.664 0.799 546 HA ILE 72 HA ILE 72 -8.559 11.120 -0.774 547 HB ILE 72 HB ILE 72 -9.612 8.476 -1.800 548 HG12 ILE 72 1HG1 ILE 72 -6.875 9.710 -2.197 549 HG13 ILE 72 2HG1 ILE 72 -7.218 8.353 -1.131 550 HG21 ILE 72 1HG2 ILE 72 -10.421 10.414 -3.036 551 HG22 ILE 72 2HG2 ILE 72 -9.283 9.484 -4.010 552 HG23 ILE 72 3HG2 ILE 72 -8.766 10.987 -3.245 553 HD11 ILE 72 3HD1 ILE 72 -6.262 7.602 -3.228 554 HD12 ILE 72 1HD1 ILE 72 -7.566 8.384 -4.119 555 HD13 ILE 72 2HD1 ILE 72 -7.919 7.022 -3.055 556 HA PRO 73 HA PRO 73 -12.873 11.516 0.611 557 HB2 PRO 73 1HB PRO 73 -12.489 14.357 0.676 558 HB3 PRO 73 2HB PRO 73 -12.653 13.258 2.045 559 HG2 PRO 73 1HG PRO 73 -10.347 14.631 1.403 560 HG3 PRO 73 2HG PRO 73 -10.403 13.152 2.377 561 HD2 PRO 73 1HD PRO 73 -9.727 13.494 -0.518 562 HD3 PRO 73 2HD PRO 73 -9.003 12.412 0.692 563 H ASN 74 H ASN 74 -11.676 11.512 -2.117 564 HA ASN 74 HA ASN 74 -13.579 13.309 -3.480 565 HB2 ASN 74 1HB ASN 74 -10.898 12.334 -4.502 566 HB3 ASN 74 2HB ASN 74 -12.011 13.375 -5.379 567 HD21 ASN 74 2HD2 ASN 74 -9.240 13.805 -4.568 568 HD22 ASN 74 1HD2 ASN 74 -9.236 15.255 -3.630 569 H ILE 75 H ILE 75 -12.205 10.140 -3.212 570 HA ILE 75 HA ILE 75 -14.170 9.087 -5.132 571 HB ILE 75 HB ILE 75 -11.310 8.122 -4.845 572 HG12 ILE 75 1HG1 ILE 75 -12.612 9.587 -7.152 573 HG13 ILE 75 2HG1 ILE 75 -11.457 10.291 -6.025 574 HG21 ILE 75 1HG2 ILE 75 -11.830 6.687 -6.762 575 HG22 ILE 75 2HG2 ILE 75 -13.498 7.255 -6.727 576 HG23 ILE 75 3HG2 ILE 75 -12.855 6.326 -5.374 577 HD11 ILE 75 3HD1 ILE 75 -9.752 8.725 -6.794 578 HD12 ILE 75 1HD1 ILE 75 -10.393 9.694 -8.121 579 HD13 ILE 75 2HD1 ILE 75 -10.910 8.019 -7.922 580 H LYS 76 H LYS 76 -15.110 7.124 -4.491 581 HA LYS 76 HA LYS 76 -14.814 6.524 -1.678 582 HB2 LYS 76 1HB LYS 76 -16.556 5.184 -3.753 583 HB3 LYS 76 2HB LYS 76 -16.657 4.950 -2.013 584 HG2 LYS 76 1HG LYS 76 -17.150 7.410 -1.827 585 HG3 LYS 76 2HG LYS 76 -17.308 7.425 -3.585 586 HD2 LYS 76 1HD LYS 76 -19.019 5.611 -3.354 587 HD3 LYS 76 2HD LYS 76 -18.945 5.850 -1.606 588 HE2 LYS 76 1HE LYS 76 -20.808 7.091 -2.498 589 HE3 LYS 76 2HE LYS 76 -19.572 8.217 -1.941 590 HZ1 LYS 76 3HZ LYS 76 -20.416 8.929 -4.061 591 HZ2 LYS 76 1HZ LYS 76 -20.089 7.414 -4.754 592 HZ3 LYS 76 2HZ LYS 76 -18.816 8.411 -4.259 593 H ILE 77 H ILE 77 -13.664 4.930 -0.817 594 HA ILE 77 HA ILE 77 -12.196 3.202 -2.675 595 HB ILE 77 HB ILE 77 -10.839 4.535 -1.113 596 HG12 ILE 77 1HG1 ILE 77 -10.716 1.577 -0.489 597 HG13 ILE 77 2HG1 ILE 77 -10.039 2.333 -1.929 598 HG21 ILE 77 1HG2 ILE 77 -12.385 4.656 0.761 599 HG22 ILE 77 2HG2 ILE 77 -10.818 4.032 1.278 600 HG23 ILE 77 3HG2 ILE 77 -12.177 2.929 1.056 601 HD11 ILE 77 3HD1 ILE 77 -8.528 3.644 -0.523 602 HD12 ILE 77 1HD1 ILE 77 -8.317 1.909 -0.279 603 HD13 ILE 77 2HD1 ILE 77 -9.199 2.868 0.912 604 H VAL 78 H VAL 78 -12.712 1.151 -2.889 605 HA VAL 78 HA VAL 78 -14.808 0.079 -1.162 606 HB VAL 78 HB VAL 78 -13.711 -1.047 -3.742 607 HG11 VAL 78 1HG1 VAL 78 -15.797 -2.334 -3.789 608 HG12 VAL 78 2HG1 VAL 78 -16.231 -1.675 -2.212 609 HG13 VAL 78 3HG1 VAL 78 -14.816 -2.715 -2.375 610 HG21 VAL 78 3HG2 VAL 78 -14.661 1.144 -4.140 611 HG22 VAL 78 1HG2 VAL 78 -16.134 0.687 -3.281 612 HG23 VAL 78 2HG2 VAL 78 -15.716 -0.106 -4.800 613 H GLU 79 H GLU 79 -11.795 -1.091 -2.665 614 HA GLU 79 HA GLU 79 -11.348 -2.809 -0.333 615 HB2 GLU 79 1HB GLU 79 -11.535 -3.833 -3.170 616 HB3 GLU 79 2HB GLU 79 -10.905 -4.764 -1.820 617 HG2 GLU 79 1HG GLU 79 -13.091 -4.591 -0.709 618 HG3 GLU 79 2HG GLU 79 -13.711 -3.714 -2.107 619 H ILE 80 H ILE 80 -9.250 -3.128 0.145 620 HA ILE 80 HA ILE 80 -7.243 -2.067 -1.735 621 HB ILE 80 HB ILE 80 -6.884 -2.650 1.214 622 HG12 ILE 80 1HG1 ILE 80 -7.372 0.019 -0.132 623 HG13 ILE 80 2HG1 ILE 80 -8.556 -0.854 0.834 624 HG21 ILE 80 1HG2 ILE 80 -5.196 -1.095 -0.744 625 HG22 ILE 80 2HG2 ILE 80 -4.819 -2.682 -0.073 626 HG23 ILE 80 3HG2 ILE 80 -4.871 -1.267 0.980 627 HD11 ILE 80 3HD1 ILE 80 -5.929 0.233 1.823 628 HD12 ILE 80 1HD1 ILE 80 -7.119 -0.635 2.793 629 HD13 ILE 80 2HD1 ILE 80 -7.521 0.938 2.103 630 H SER 81 H SER 81 -6.109 -3.562 -2.831 631 HA SER 81 HA SER 81 -5.787 -6.220 -1.603 632 HB2 SER 81 1HB SER 81 -5.845 -5.578 -4.557 633 HB3 SER 81 2HB SER 81 -5.813 -7.181 -3.822 634 HG SER 81 HG SER 81 -7.865 -6.040 -2.746 635 HA PRO 82 HA PRO 82 -4.697 -7.026 -0.501 636 HB2 PRO 82 1HB PRO 82 -2.624 -7.635 1.062 637 HB3 PRO 82 2HB PRO 82 -2.866 -8.442 -0.491 638 HG2 PRO 82 1HG PRO 82 -0.904 -6.352 0.270 639 HG3 PRO 82 2HG PRO 82 -0.759 -7.651 -0.924 640 HD2 PRO 82 1HD PRO 82 -1.400 -4.929 -1.414 641 HD3 PRO 82 2HD PRO 82 -1.433 -6.266 -2.580 642 H ARG 83 H ARG 83 -4.748 -6.855 1.956 643 HA ARG 83 HA ARG 83 -4.744 -4.014 2.685 644 HB2 ARG 83 1HB ARG 83 -5.845 -6.368 4.229 645 HB3 ARG 83 2HB ARG 83 -6.140 -4.668 4.552 646 HG2 ARG 83 1HG ARG 83 -7.518 -4.442 2.663 647 HG3 ARG 83 2HG ARG 83 -6.977 -5.984 1.989 648 HD2 ARG 83 1HD ARG 83 -8.595 -5.597 4.506 649 HD3 ARG 83 2HD ARG 83 -9.193 -6.215 2.964 650 HE ARG 83 HE ARG 83 -7.786 -8.167 3.282 651 HH11 ARG 83 1HH1 ARG 83 -8.231 -6.100 6.086 652 HH12 ARG 83 2HH1 ARG 83 -7.861 -7.361 7.230 653 HH21 ARG 83 1HH2 ARG 83 -7.288 -9.826 4.790 654 HH22 ARG 83 2HH2 ARG 83 -7.320 -9.473 6.494 655 H VAL 84 H VAL 84 -3.697 -7.158 3.936 656 HA VAL 84 HA VAL 84 -1.795 -5.757 5.701 657 HB VAL 84 HB VAL 84 -2.999 -8.499 6.131 658 HG11 VAL 84 1HG1 VAL 84 -0.788 -8.223 7.117 659 HG12 VAL 84 2HG1 VAL 84 -2.030 -8.325 8.365 660 HG13 VAL 84 3HG1 VAL 84 -1.331 -6.762 7.943 661 HG21 VAL 84 3HG2 VAL 84 -4.707 -6.770 6.351 662 HG22 VAL 84 1HG2 VAL 84 -3.679 -5.887 7.479 663 HG23 VAL 84 2HG2 VAL 84 -4.314 -7.472 7.920 664 H VAL 85 H VAL 85 0.251 -5.997 5.132 665 HA VAL 85 HA VAL 85 0.956 -8.268 3.399 666 HB VAL 85 HB VAL 85 2.929 -6.889 2.710 667 HG11 VAL 85 1HG1 VAL 85 0.207 -5.691 2.209 668 HG12 VAL 85 2HG1 VAL 85 0.954 -7.012 1.308 669 HG13 VAL 85 3HG1 VAL 85 1.651 -5.393 1.240 670 HG21 VAL 85 3HG2 VAL 85 2.886 -4.478 3.150 671 HG22 VAL 85 1HG2 VAL 85 3.042 -5.404 4.642 672 HG23 VAL 85 2HG2 VAL 85 1.488 -4.696 4.203 673 H THR 86 H THR 86 2.471 -9.682 4.002 674 HA THR 86 HA THR 86 3.611 -9.461 6.651 675 HB THR 86 HB THR 86 4.225 -11.647 4.672 676 HG1 THR 86 HG1 THR 86 1.910 -11.390 6.342 677 HG21 THR 86 3HG2 THR 86 5.466 -11.629 6.781 678 HG22 THR 86 1HG2 THR 86 4.364 -13.005 6.712 679 HG23 THR 86 2HG2 THR 86 3.949 -11.591 7.680 680 H LEU 87 H LEU 87 5.300 -8.100 6.796 681 HA LEU 87 HA LEU 87 7.214 -7.984 4.584 682 HB2 LEU 87 1HB LEU 87 6.844 -6.173 6.970 683 HB3 LEU 87 2HB LEU 87 8.064 -5.953 5.730 684 HG LEU 87 HG LEU 87 5.077 -5.832 5.301 685 HD11 LEU 87 1HD1 LEU 87 5.461 -3.456 4.896 686 HD12 LEU 87 2HD1 LEU 87 7.166 -3.659 5.298 687 HD13 LEU 87 3HD1 LEU 87 5.932 -3.912 6.533 688 HD21 LEU 87 3HD2 LEU 87 5.640 -5.079 3.045 689 HD22 LEU 87 1HD2 LEU 87 6.244 -6.708 3.345 690 HD23 LEU 87 2HD2 LEU 87 7.351 -5.335 3.383 691 H GLN 88 H GLN 88 9.074 -8.994 4.709 692 HA GLN 88 HA GLN 88 9.952 -10.124 7.236 693 HB2 GLN 88 1HB GLN 88 11.189 -10.324 4.483 694 HB3 GLN 88 2HB GLN 88 11.647 -11.270 5.893 695 HG2 GLN 88 1HG GLN 88 9.440 -12.302 5.928 696 HG3 GLN 88 2HG GLN 88 8.969 -11.344 4.524 697 HE21 GLN 88 2HE2 GLN 88 9.084 -14.230 4.864 698 HE22 GLN 88 1HE2 GLN 88 10.158 -14.812 3.627 699 H LEU 89 H LEU 89 10.905 -8.706 8.543 700 HA LEU 89 HA LEU 89 12.676 -6.674 7.422 701 HB2 LEU 89 1HB LEU 89 11.528 -7.066 10.180 702 HB3 LEU 89 2HB LEU 89 12.708 -5.827 9.800 703 HG LEU 89 HG LEU 89 9.924 -6.051 8.644 704 HD11 LEU 89 1HD1 LEU 89 9.534 -3.960 9.837 705 HD12 LEU 89 2HD1 LEU 89 11.164 -4.031 10.505 706 HD13 LEU 89 3HD1 LEU 89 9.976 -5.257 10.949 707 HD21 LEU 89 3HD2 LEU 89 10.428 -3.927 7.545 708 HD22 LEU 89 1HD2 LEU 89 11.497 -5.213 6.985 709 HD23 LEU 89 2HD2 LEU 89 12.087 -4.014 8.137 710 H GLU 90 H GLU 90 14.795 -6.650 7.652 711 HA GLU 90 HA GLU 90 16.054 -8.856 9.146 712 HB2 GLU 90 1HB GLU 90 16.319 -8.118 6.475 713 HB3 GLU 90 2HB GLU 90 17.754 -7.451 7.236 714 HG2 GLU 90 1HG GLU 90 16.907 -10.318 7.536 715 HG3 GLU 90 2HG GLU 90 17.995 -9.750 6.271 716 H HIS 91 H HIS 91 18.376 -8.225 9.806 717 HA HIS 91 HA HIS 91 18.107 -5.896 11.513 718 HB2 HIS 91 1HB HIS 91 20.386 -7.877 11.309 719 HB3 HIS 91 2HB HIS 91 20.127 -6.711 12.602 720 HD1 HIS 91 HD1 HIS 91 18.654 -9.877 11.165 721 HD2 HIS 91 HD2 HIS 91 18.445 -7.557 14.616 722 HE1 HIS 91 HE1 HIS 91 17.330 -11.234 12.819 723 HE2 HIS 91 HE2 HIS 91 17.115 -9.769 14.859 724 H HIS 92 H HIS 92 18.608 -3.976 10.680 725 HA HIS 92 HA HIS 92 20.637 -3.728 8.618 726 HB2 HIS 92 1HB HIS 92 18.494 -2.386 8.630 727 HB3 HIS 92 2HB HIS 92 19.116 -1.524 10.032 728 HD1 HIS 92 HD1 HIS 92 20.067 0.657 9.405 729 HD2 HIS 92 HD2 HIS 92 20.579 -2.165 6.395 730 HE1 HIS 92 HE1 HIS 92 21.244 1.864 7.535 731 HE2 HIS 92 HE2 HIS 92 21.390 0.179 5.664 732 H HIS 93 H HIS 93 22.710 -3.702 9.200 733 HA HIS 93 HA HIS 93 23.424 -3.294 11.967 734 HB2 HIS 93 1HB HIS 93 25.122 -3.981 9.557 735 HB3 HIS 93 2HB HIS 93 25.710 -3.930 11.215 736 HD1 HIS 93 HD1 HIS 93 23.886 -6.063 8.806 737 HD2 HIS 93 HD2 HIS 93 24.700 -6.026 12.887 738 HE1 HIS 93 HE1 HIS 93 23.333 -8.374 9.631 739 HE2 HIS 93 HE2 HIS 93 23.680 -8.284 12.126 740 H HIS 94 H HIS 94 22.531 -1.005 11.544 741 HA HIS 94 HA HIS 94 24.753 0.795 11.689 742 HB2 HIS 94 1HB HIS 94 23.252 0.564 9.180 743 HB3 HIS 94 2HB HIS 94 23.245 2.196 9.835 744 HD1 HIS 94 HD1 HIS 94 24.628 2.084 7.294 745 HD2 HIS 94 HD2 HIS 94 26.585 1.080 10.826 746 HE1 HIS 94 HE1 HIS 94 27.082 2.358 6.815 747 HE2 HIS 94 HE2 HIS 94 28.217 1.996 9.039 748 H HIS 95 H HIS 95 24.082 2.880 12.499 749 HA HIS 95 HA HIS 95 21.506 2.770 13.853 750 HB2 HIS 95 1HB HIS 95 24.036 4.161 14.295 751 HB3 HIS 95 2HB HIS 95 22.631 5.196 14.534 752 HD1 HIS 95 HD1 HIS 95 22.826 5.313 17.071 753 HD2 HIS 95 HD2 HIS 95 22.576 1.427 15.600 754 HE1 HIS 95 HE1 HIS 95 22.458 3.843 19.083 755 HE2 HIS 95 HE2 HIS 95 22.476 1.483 18.183 756 H HIS 96 H HIS 96 22.283 3.516 10.893 757 HA HIS 96 HA HIS 96 19.940 5.137 10.549 758 HB2 HIS 96 1HB HIS 96 21.699 6.861 10.933 759 HB3 HIS 96 2HB HIS 96 22.605 6.206 9.574 760 HD1 HIS 96 HD1 HIS 96 19.723 8.383 10.427 761 HD2 HIS 96 HD2 HIS 96 21.471 6.748 7.022 762 HE1 HIS 96 HE1 HIS 96 18.731 9.635 8.482 763 HE2 HIS 96 HE2 HIS 96 19.759 8.596 6.428 Start of MODEL 18 1 H1 SER 1 1H SER 1 -16.930 6.029 -25.640 2 H2 SER 1 2H SER 1 -18.075 5.563 -26.799 3 H3 SER 1 3H SER 1 -17.994 7.181 -26.288 4 HA SER 1 HA SER 1 -16.995 7.015 -28.429 5 HB2 SER 1 1HB SER 1 -15.955 8.522 -26.723 6 HB3 SER 1 2HB SER 1 -14.843 7.223 -26.301 7 HG SER 1 HG SER 1 -14.569 9.026 -28.210 8 H SER 2 H SER 2 -14.545 6.339 -29.231 9 HA SER 2 HA SER 2 -14.750 3.646 -29.923 10 HB2 SER 2 1HB SER 2 -12.204 5.282 -29.852 11 HB3 SER 2 2HB SER 2 -12.537 3.880 -30.871 12 HG SER 2 HG SER 2 -12.795 6.075 -31.826 13 H GLN 3 H GLN 3 -12.748 5.204 -27.445 14 HA GLN 3 HA GLN 3 -12.278 2.567 -26.244 15 HB2 GLN 3 1HB GLN 3 -10.967 5.238 -25.679 16 HB3 GLN 3 2HB GLN 3 -10.611 3.746 -24.821 17 HG2 GLN 3 1HG GLN 3 -9.874 2.736 -26.946 18 HG3 GLN 3 2HG GLN 3 -10.151 4.284 -27.745 19 HE21 GLN 3 2HE2 GLN 3 -7.707 2.737 -27.454 20 HE22 GLN 3 1HE2 GLN 3 -6.569 3.782 -26.667 21 H THR 4 H THR 4 -13.227 2.054 -24.342 22 HA THR 4 HA THR 4 -15.284 3.934 -23.454 23 HB THR 4 HB THR 4 -16.106 1.799 -22.223 24 HG1 THR 4 HG1 THR 4 -14.584 0.551 -24.285 25 HG21 THR 4 3HG2 THR 4 -17.253 2.824 -24.125 26 HG22 THR 4 1HG2 THR 4 -17.296 1.064 -24.242 27 HG23 THR 4 2HG2 THR 4 -16.171 1.987 -25.238 28 H LEU 5 H LEU 5 -15.118 4.977 -21.604 29 HA LEU 5 HA LEU 5 -12.938 4.490 -19.802 30 HB2 LEU 5 1HB LEU 5 -15.303 6.360 -19.577 31 HB3 LEU 5 2HB LEU 5 -13.928 6.345 -18.491 32 HG LEU 5 HG LEU 5 -13.850 7.031 -21.432 33 HD11 LEU 5 1HD1 LEU 5 -13.321 9.284 -20.638 34 HD12 LEU 5 2HD1 LEU 5 -13.538 8.747 -18.972 35 HD13 LEU 5 3HD1 LEU 5 -14.908 8.756 -20.083 36 HD21 LEU 5 3HD2 LEU 5 -11.793 5.936 -20.717 37 HD22 LEU 5 1HD2 LEU 5 -11.660 7.050 -19.356 38 HD23 LEU 5 2HD2 LEU 5 -11.519 7.655 -21.007 39 H ASP 6 H ASP 6 -13.159 3.969 -17.554 40 HA ASP 6 HA ASP 6 -15.361 2.109 -17.076 41 HB2 ASP 6 1HB ASP 6 -12.846 1.569 -16.685 42 HB3 ASP 6 2HB ASP 6 -13.025 2.531 -15.221 43 H ARG 7 H ARG 7 -16.777 2.330 -15.373 44 HA ARG 7 HA ARG 7 -17.326 4.995 -14.520 45 HB2 ARG 7 1HB ARG 7 -18.491 2.388 -13.532 46 HB3 ARG 7 2HB ARG 7 -19.167 3.988 -13.260 47 HG2 ARG 7 1HG ARG 7 -19.594 4.235 -15.637 48 HG3 ARG 7 2HG ARG 7 -18.857 2.658 -15.947 49 HD2 ARG 7 1HD ARG 7 -20.559 1.599 -14.545 50 HD3 ARG 7 2HD ARG 7 -21.299 3.171 -14.250 51 HE ARG 7 HE ARG 7 -21.070 2.409 -17.039 52 HH11 ARG 7 1HH1 ARG 7 -23.044 2.389 -14.144 53 HH12 ARG 7 2HH1 ARG 7 -24.535 2.167 -15.006 54 HH21 ARG 7 1HH2 ARG 7 -23.036 2.151 -18.188 55 HH22 ARG 7 2HH2 ARG 7 -24.535 2.049 -17.309 56 H ASP 8 H ASP 8 -15.808 2.193 -13.110 57 HA ASP 8 HA ASP 8 -14.863 3.805 -10.890 58 HB2 ASP 8 1HB ASP 8 -15.381 1.654 -9.419 59 HB3 ASP 8 2HB ASP 8 -16.560 2.941 -9.617 60 HA PRO 9 HA PRO 9 -11.584 1.347 -12.777 61 HB2 PRO 9 1HB PRO 9 -9.624 3.156 -12.442 62 HB3 PRO 9 2HB PRO 9 -10.844 3.320 -13.710 63 HG2 PRO 9 1HG PRO 9 -10.684 4.677 -11.050 64 HG3 PRO 9 2HG PRO 9 -11.131 5.353 -12.627 65 HD2 PRO 9 1HD PRO 9 -12.946 4.602 -10.716 66 HD3 PRO 9 2HD PRO 9 -13.296 4.631 -12.455 67 H THR 10 H THR 10 -9.811 0.233 -12.012 68 HA THR 10 HA THR 10 -9.431 0.250 -9.108 69 HB THR 10 HB THR 10 -8.461 -1.780 -11.135 70 HG1 THR 10 HG1 THR 10 -10.712 -1.857 -11.044 71 HG21 THR 10 3HG2 THR 10 -8.125 -3.215 -9.176 72 HG22 THR 10 1HG2 THR 10 -8.645 -1.902 -8.121 73 HG23 THR 10 2HG2 THR 10 -7.158 -1.744 -9.057 74 H LEU 11 H LEU 11 -7.661 1.138 -8.262 75 HA LEU 11 HA LEU 11 -5.567 2.040 -10.112 76 HB2 LEU 11 1HB LEU 11 -6.189 2.977 -7.307 77 HB3 LEU 11 2HB LEU 11 -4.980 3.663 -8.374 78 HG LEU 11 HG LEU 11 -7.967 3.724 -8.810 79 HD11 LEU 11 1HD1 LEU 11 -7.228 5.214 -7.033 80 HD12 LEU 11 2HD1 LEU 11 -7.724 6.131 -8.456 81 HD13 LEU 11 3HD1 LEU 11 -6.010 5.907 -8.106 82 HD21 LEU 11 3HD2 LEU 11 -6.767 3.572 -10.929 83 HD22 LEU 11 1HD2 LEU 11 -5.735 4.920 -10.451 84 HD23 LEU 11 2HD2 LEU 11 -7.460 5.178 -10.712 85 H THR 12 H THR 12 -3.352 1.977 -9.370 86 HA THR 12 HA THR 12 -2.823 -0.146 -7.407 87 HB THR 12 HB THR 12 -1.264 0.324 -9.959 88 HG1 THR 12 HG1 THR 12 -3.539 -1.100 -9.433 89 HG21 THR 12 3HG2 THR 12 -1.119 -1.905 -7.924 90 HG22 THR 12 1HG2 THR 12 0.072 -0.621 -8.128 91 HG23 THR 12 2HG2 THR 12 -0.182 -1.800 -9.414 92 H LEU 13 H LEU 13 -2.127 1.001 -5.704 93 HA LEU 13 HA LEU 13 -0.490 3.389 -6.149 94 HB2 LEU 13 1HB LEU 13 -1.856 2.391 -3.648 95 HB3 LEU 13 2HB LEU 13 -0.997 3.911 -3.802 96 HG LEU 13 HG LEU 13 -3.542 3.144 -5.233 97 HD11 LEU 13 1HD1 LEU 13 -3.870 3.680 -2.887 98 HD12 LEU 13 2HD1 LEU 13 -4.526 4.953 -3.918 99 HD13 LEU 13 3HD1 LEU 13 -2.985 5.190 -3.094 100 HD21 LEU 13 3HD2 LEU 13 -3.493 5.484 -6.053 101 HD22 LEU 13 1HD2 LEU 13 -2.190 4.487 -6.700 102 HD23 LEU 13 2HD2 LEU 13 -1.857 5.635 -5.406 103 H SER 14 H SER 14 1.516 3.678 -5.276 104 HA SER 14 HA SER 14 3.057 1.311 -4.842 105 HB2 SER 14 1HB SER 14 3.884 4.202 -4.489 106 HB3 SER 14 2HB SER 14 4.954 2.817 -4.714 107 HG SER 14 HG SER 14 3.189 2.838 -6.711 108 H LEU 15 H LEU 15 3.969 0.539 -2.984 109 HA LEU 15 HA LEU 15 2.880 1.581 -0.472 110 HB2 LEU 15 1HB LEU 15 2.624 -0.823 -0.991 111 HB3 LEU 15 2HB LEU 15 4.368 -0.985 -1.055 112 HG LEU 15 HG LEU 15 4.443 -0.304 1.361 113 HD11 LEU 15 1HD1 LEU 15 1.459 -0.680 1.162 114 HD12 LEU 15 2HD1 LEU 15 2.296 0.843 1.464 115 HD13 LEU 15 3HD1 LEU 15 2.378 -0.458 2.652 116 HD21 LEU 15 3HD2 LEU 15 2.850 -2.771 0.674 117 HD22 LEU 15 1HD2 LEU 15 3.705 -2.487 2.191 118 HD23 LEU 15 2HD2 LEU 15 4.609 -2.636 0.682 119 H ILE 16 H ILE 16 4.109 2.741 0.883 120 HA ILE 16 HA ILE 16 7.036 2.640 0.520 121 HB ILE 16 HB ILE 16 7.128 5.026 1.154 122 HG12 ILE 16 1HG1 ILE 16 4.115 4.944 0.847 123 HG13 ILE 16 2HG1 ILE 16 4.968 5.088 2.381 124 HG21 ILE 16 1HG2 ILE 16 7.182 4.394 -1.189 125 HG22 ILE 16 2HG2 ILE 16 6.321 5.919 -0.981 126 HG23 ILE 16 3HG2 ILE 16 5.420 4.428 -1.259 127 HD11 ILE 16 3HD1 ILE 16 5.910 7.217 1.649 128 HD12 ILE 16 1HD1 ILE 16 4.147 7.236 1.638 129 HD13 ILE 16 2HD1 ILE 16 5.036 7.074 0.123 130 H ALA 17 H ALA 17 8.323 2.982 2.359 131 HA ALA 17 HA ALA 17 7.211 1.955 4.808 132 HB1 ALA 17 3HB ALA 17 9.504 2.042 5.627 133 HB2 ALA 17 1HB ALA 17 9.993 2.938 4.189 134 HB3 ALA 17 2HB ALA 17 9.428 1.273 4.040 135 H LYS 18 H LYS 18 6.621 3.080 6.579 136 HA LYS 18 HA LYS 18 7.386 5.915 6.722 137 HB2 LYS 18 1HB LYS 18 5.003 5.618 5.968 138 HB3 LYS 18 2HB LYS 18 4.671 4.844 7.513 139 HG2 LYS 18 1HG LYS 18 5.315 6.892 8.679 140 HG3 LYS 18 2HG LYS 18 5.651 7.667 7.131 141 HD2 LYS 18 1HD LYS 18 3.254 7.219 6.510 142 HD3 LYS 18 2HD LYS 18 2.992 6.723 8.185 143 HE2 LYS 18 1HE LYS 18 3.995 9.419 7.276 144 HE3 LYS 18 2HE LYS 18 2.353 9.062 7.808 145 HZ1 LYS 18 3HZ LYS 18 3.224 8.479 9.990 146 HZ2 LYS 18 1HZ LYS 18 3.660 10.064 9.576 147 HZ3 LYS 18 2HZ LYS 18 4.802 8.821 9.475 148 H ASN 19 H ASN 19 7.930 6.673 8.706 149 HA ASN 19 HA ASN 19 8.646 6.660 10.864 150 HB2 ASN 19 1HB ASN 19 6.508 4.555 11.267 151 HB3 ASN 19 2HB ASN 19 7.294 5.487 12.535 152 HD21 ASN 19 2HD2 ASN 19 4.485 5.250 11.828 153 HD22 ASN 19 1HD2 ASN 19 3.935 6.871 11.515 154 H THR 20 H THR 20 9.662 4.696 8.846 155 HA THR 20 HA THR 20 10.234 2.280 10.298 156 HB THR 20 HB THR 20 11.219 3.248 7.603 157 HG1 THR 20 HG1 THR 20 8.826 2.442 8.398 158 HG21 THR 20 3HG2 THR 20 12.669 1.504 8.544 159 HG22 THR 20 1HG2 THR 20 11.741 0.892 7.175 160 HG23 THR 20 2HG2 THR 20 11.260 0.480 8.821 161 HA PRO 21 HA PRO 21 13.872 4.078 12.210 162 HB2 PRO 21 1HB PRO 21 14.580 1.829 13.576 163 HB3 PRO 21 2HB PRO 21 13.319 2.944 14.117 164 HG2 PRO 21 1HG PRO 21 13.055 0.332 12.686 165 HG3 PRO 21 2HG PRO 21 12.083 0.983 14.020 166 HD2 PRO 21 1HD PRO 21 11.255 1.025 11.442 167 HD3 PRO 21 2HD PRO 21 10.801 2.278 12.614 168 H ALA 22 H ALA 22 16.199 3.137 12.574 169 HA ALA 22 HA ALA 22 17.129 2.528 9.902 170 HB1 ALA 22 3HB ALA 22 19.350 3.014 10.777 171 HB2 ALA 22 1HB ALA 22 18.696 3.106 12.412 172 HB3 ALA 22 2HB ALA 22 18.212 4.294 11.202 173 H ASN 23 H ASN 23 16.788 0.918 12.964 174 HA ASN 23 HA ASN 23 18.644 -1.189 12.423 175 HB2 ASN 23 1HB ASN 23 16.452 -0.890 14.473 176 HB3 ASN 23 2HB ASN 23 17.471 -2.318 14.373 177 HD21 ASN 23 2HD2 ASN 23 19.602 -2.197 15.003 178 HD22 ASN 23 1HD2 ASN 23 20.242 -0.845 15.885 179 H SER 24 H SER 24 15.613 -0.534 11.186 180 HA SER 24 HA SER 24 14.965 -3.354 10.780 181 HB2 SER 24 1HB SER 24 12.770 -2.404 9.921 182 HB3 SER 24 2HB SER 24 13.092 -2.154 11.637 183 HG SER 24 HG SER 24 13.747 -0.232 9.661 184 H MET 25 H MET 25 15.862 -4.172 9.049 185 HA MET 25 HA MET 25 16.256 -2.480 6.685 186 HB2 MET 25 1HB MET 25 18.249 -3.547 7.580 187 HB3 MET 25 2HB MET 25 17.477 -5.122 7.495 188 HG2 MET 25 1HG MET 25 17.389 -4.915 5.040 189 HG3 MET 25 2HG MET 25 18.243 -3.377 5.166 190 HE1 MET 25 3HE MET 25 20.966 -5.808 3.715 191 HE2 MET 25 1HE MET 25 20.106 -4.286 3.482 192 HE3 MET 25 2HE MET 25 19.237 -5.817 3.365 193 H ILE 26 H ILE 26 14.622 -2.612 5.278 194 HA ILE 26 HA ILE 26 12.817 -4.853 5.298 195 HB ILE 26 HB ILE 26 12.867 -2.502 3.401 196 HG12 ILE 26 1HG1 ILE 26 11.318 -2.861 5.978 197 HG13 ILE 26 2HG1 ILE 26 12.706 -1.798 5.772 198 HG21 ILE 26 1HG2 ILE 26 11.548 -4.375 2.589 199 HG22 ILE 26 2HG2 ILE 26 10.497 -3.041 3.066 200 HG23 ILE 26 3HG2 ILE 26 10.676 -4.444 4.120 201 HD11 ILE 26 3HD1 ILE 26 11.464 -0.465 4.166 202 HD12 ILE 26 1HD1 ILE 26 10.604 -0.574 5.701 203 HD13 ILE 26 2HD1 ILE 26 10.078 -1.543 4.326 204 H MET 27 H MET 27 13.458 -6.698 4.375 205 HA MET 27 HA MET 27 15.191 -6.655 2.048 206 HB2 MET 27 1HB MET 27 13.994 -8.980 3.565 207 HB3 MET 27 2HB MET 27 15.171 -9.118 2.266 208 HG2 MET 27 1HG MET 27 16.756 -7.793 3.630 209 HG3 MET 27 2HG MET 27 15.584 -7.818 4.946 210 HE1 MET 27 3HE MET 27 18.094 -9.854 2.778 211 HE2 MET 27 1HE MET 27 16.571 -10.634 2.352 212 HE3 MET 27 2HE MET 27 17.782 -11.515 3.285 213 H THR 28 H THR 28 11.856 -7.339 2.840 214 HA THR 28 HA THR 28 11.125 -8.340 0.278 215 HB THR 28 HB THR 28 9.323 -6.997 2.303 216 HG1 THR 28 HG1 THR 28 9.948 -9.775 2.119 217 HG21 THR 28 3HG2 THR 28 7.593 -8.443 1.331 218 HG22 THR 28 1HG2 THR 28 8.771 -9.076 0.180 219 HG23 THR 28 2HG2 THR 28 8.298 -7.378 0.115 220 H LYS 29 H LYS 29 11.296 -7.123 -1.516 221 HA LYS 29 HA LYS 29 11.400 -4.290 -1.469 222 HB2 LYS 29 1HB LYS 29 10.885 -6.144 -3.805 223 HB3 LYS 29 2HB LYS 29 11.276 -4.432 -3.932 224 HG2 LYS 29 1HG LYS 29 13.425 -4.963 -2.718 225 HG3 LYS 29 2HG LYS 29 13.032 -6.667 -2.959 226 HD2 LYS 29 1HD LYS 29 12.929 -6.265 -5.394 227 HD3 LYS 29 2HD LYS 29 13.412 -4.588 -5.114 228 HE2 LYS 29 1HE LYS 29 15.470 -5.462 -3.997 229 HE3 LYS 29 2HE LYS 29 15.003 -7.079 -4.522 230 HZ1 LYS 29 3HZ LYS 29 16.478 -6.322 -6.140 231 HZ2 LYS 29 1HZ LYS 29 15.800 -4.769 -6.183 232 HZ3 LYS 29 2HZ LYS 29 14.954 -6.081 -6.843 233 H LEU 30 H LEU 30 9.819 -2.915 -1.246 234 HA LEU 30 HA LEU 30 7.168 -3.759 -0.824 235 HB2 LEU 30 1HB LEU 30 8.228 -0.967 -1.276 236 HB3 LEU 30 2HB LEU 30 6.658 -1.366 -0.605 237 HG LEU 30 HG LEU 30 9.308 -2.045 0.673 238 HD11 LEU 30 1HD1 LEU 30 8.904 0.349 0.681 239 HD12 LEU 30 2HD1 LEU 30 8.717 -0.317 2.303 240 HD13 LEU 30 3HD1 LEU 30 7.292 0.091 1.348 241 HD21 LEU 30 3HD2 LEU 30 7.555 -3.642 1.237 242 HD22 LEU 30 1HD2 LEU 30 6.482 -2.318 1.697 243 HD23 LEU 30 2HD2 LEU 30 7.950 -2.626 2.625 244 HA PRO 31 HA PRO 31 5.876 -3.468 -5.119 245 HB2 PRO 31 1HB PRO 31 3.726 -5.041 -4.894 246 HB3 PRO 31 2HB PRO 31 5.358 -5.719 -4.869 247 HG2 PRO 31 1HG PRO 31 3.480 -5.214 -2.606 248 HG3 PRO 31 2HG PRO 31 4.600 -6.564 -2.856 249 HD2 PRO 31 1HD PRO 31 5.070 -4.346 -1.237 250 HD3 PRO 31 2HD PRO 31 6.311 -5.455 -1.851 251 H SER 32 H SER 32 3.196 -3.445 -5.751 252 HA SER 32 HA SER 32 2.244 -1.038 -4.352 253 HB2 SER 32 1HB SER 32 1.785 -1.908 -7.210 254 HB3 SER 32 2HB SER 32 1.070 -0.480 -6.461 255 HG SER 32 HG SER 32 3.851 -0.989 -6.786 256 H VAL 33 H VAL 33 0.014 -0.818 -3.959 257 HA VAL 33 HA VAL 33 -1.330 -3.386 -3.577 258 HB VAL 33 HB VAL 33 -2.893 -2.154 -2.131 259 HG11 VAL 33 1HG1 VAL 33 -0.910 -3.124 -1.135 260 HG12 VAL 33 2HG1 VAL 33 -1.300 -1.601 -0.336 261 HG13 VAL 33 3HG1 VAL 33 0.017 -1.671 -1.506 262 HG21 VAL 33 3HG2 VAL 33 -2.460 0.186 -1.548 263 HG22 VAL 33 1HG2 VAL 33 -2.845 0.007 -3.259 264 HG23 VAL 33 2HG2 VAL 33 -1.174 0.247 -2.753 265 H ARG 34 H ARG 34 -3.537 -3.681 -4.165 266 HA ARG 34 HA ARG 34 -4.263 -2.130 -6.563 267 HB2 ARG 34 1HB ARG 34 -3.693 -4.616 -6.755 268 HB3 ARG 34 2HB ARG 34 -5.190 -4.918 -5.886 269 HG2 ARG 34 1HG ARG 34 -6.444 -3.804 -7.659 270 HG3 ARG 34 2HG ARG 34 -4.940 -3.505 -8.532 271 HD2 ARG 34 1HD ARG 34 -4.570 -6.000 -8.505 272 HD3 ARG 34 2HD ARG 34 -6.224 -6.154 -7.915 273 HE ARG 34 HE ARG 34 -6.023 -4.585 -10.311 274 HH11 ARG 34 1HH1 ARG 34 -6.230 -7.849 -9.045 275 HH12 ARG 34 2HH1 ARG 34 -6.892 -8.515 -10.510 276 HH21 ARG 34 1HH2 ARG 34 -6.875 -5.448 -12.250 277 HH22 ARG 34 2HH2 ARG 34 -7.251 -7.151 -12.339 278 H VAL 35 H VAL 35 -5.690 -0.627 -5.911 279 HA VAL 35 HA VAL 35 -7.900 -1.513 -4.177 280 HB VAL 35 HB VAL 35 -8.027 0.825 -3.320 281 HG11 VAL 35 1HG1 VAL 35 -6.113 0.641 -1.806 282 HG12 VAL 35 2HG1 VAL 35 -5.401 -0.581 -2.860 283 HG13 VAL 35 3HG1 VAL 35 -6.918 -0.913 -2.026 284 HG21 VAL 35 3HG2 VAL 35 -5.388 1.150 -4.746 285 HG22 VAL 35 1HG2 VAL 35 -6.089 2.304 -3.610 286 HG23 VAL 35 2HG2 VAL 35 -6.895 1.974 -5.144 287 H LYS 36 H LYS 36 -9.931 -1.119 -4.878 288 HA LYS 36 HA LYS 36 -10.169 0.198 -7.479 289 HB2 LYS 36 1HB LYS 36 -11.096 -2.072 -7.306 290 HB3 LYS 36 2HB LYS 36 -12.144 -1.549 -5.996 291 HG2 LYS 36 1HG LYS 36 -13.412 -0.165 -7.441 292 HG3 LYS 36 2HG LYS 36 -12.242 -0.353 -8.749 293 HD2 LYS 36 1HD LYS 36 -12.796 -2.728 -8.908 294 HD3 LYS 36 2HD LYS 36 -13.956 -2.550 -7.587 295 HE2 LYS 36 1HE LYS 36 -15.322 -1.090 -8.897 296 HE3 LYS 36 2HE LYS 36 -14.102 -1.002 -10.167 297 HZ1 LYS 36 3HZ LYS 36 -15.546 -3.474 -9.383 298 HZ2 LYS 36 1HZ LYS 36 -14.464 -3.299 -10.678 299 HZ3 LYS 36 2HZ LYS 36 -15.955 -2.496 -10.705 300 H THR 37 H THR 37 -11.378 2.001 -7.794 301 HA THR 37 HA THR 37 -12.581 3.208 -5.394 302 HB THR 37 HB THR 37 -11.729 5.417 -6.241 303 HG1 THR 37 HG1 THR 37 -11.163 4.135 -8.381 304 HG21 THR 37 3HG2 THR 37 -10.614 4.265 -4.394 305 HG22 THR 37 1HG2 THR 37 -9.443 5.108 -5.410 306 HG23 THR 37 2HG2 THR 37 -9.632 3.359 -5.545 307 H GLU 38 H GLU 38 -14.496 4.230 -5.681 308 HA GLU 38 HA GLU 38 -15.624 4.234 -8.380 309 HB2 GLU 38 1HB GLU 38 -16.875 4.397 -5.643 310 HB3 GLU 38 2HB GLU 38 -17.776 4.813 -7.094 311 HG2 GLU 38 1HG GLU 38 -17.491 2.597 -7.974 312 HG3 GLU 38 2HG GLU 38 -16.435 2.161 -6.632 313 H GLY 39 H GLY 39 -14.935 5.992 -9.382 314 HA2 GLY 39 1HA GLY 39 -15.974 8.445 -9.267 315 HA3 GLY 39 2HA GLY 39 -14.742 8.544 -8.013 316 H TYR 40 H TYR 40 -14.877 10.004 -10.523 317 HA TYR 40 HA TYR 40 -12.783 8.817 -12.155 318 HB2 TYR 40 1HB TYR 40 -14.289 11.416 -12.522 319 HB3 TYR 40 2HB TYR 40 -13.204 10.676 -13.696 320 HD1 TYR 40 HD1 TYR 40 -13.847 8.308 -14.534 321 HD2 TYR 40 HD2 TYR 40 -16.560 10.931 -12.572 322 HE1 TYR 40 HE1 TYR 40 -15.739 7.056 -15.486 323 HE2 TYR 40 HE2 TYR 40 -18.457 9.687 -13.515 324 HH TYR 40 HH TYR 40 -18.857 8.211 -15.551 325 H ASN 41 H ASN 41 -10.792 9.827 -12.574 326 HA ASN 41 HA ASN 41 -9.949 11.641 -10.416 327 HB2 ASN 41 1HB ASN 41 -7.637 10.731 -10.842 328 HB3 ASN 41 2HB ASN 41 -8.783 9.569 -10.188 329 HD21 ASN 41 2HD2 ASN 41 -9.545 7.906 -11.523 330 HD22 ASN 41 1HD2 ASN 41 -8.744 7.472 -12.993 331 HA PRO 42 HA PRO 42 -9.350 14.423 -13.887 332 HB2 PRO 42 1HB PRO 42 -9.106 16.554 -11.967 333 HB3 PRO 42 2HB PRO 42 -10.449 16.212 -13.057 334 HG2 PRO 42 1HG PRO 42 -10.573 15.974 -10.319 335 HG3 PRO 42 2HG PRO 42 -11.630 15.112 -11.449 336 HD2 PRO 42 1HD PRO 42 -9.203 14.136 -9.999 337 HD3 PRO 42 2HD PRO 42 -10.724 13.289 -10.357 338 H SER 43 H SER 43 -7.694 15.689 -11.028 339 HA SER 43 HA SER 43 -5.178 15.696 -12.536 340 HB2 SER 43 1HB SER 43 -4.560 17.342 -10.624 341 HB3 SER 43 2HB SER 43 -5.691 17.890 -11.865 342 HG SER 43 HG SER 43 -6.083 17.681 -9.224 343 H ILE 44 H ILE 44 -6.641 13.668 -10.584 344 HA ILE 44 HA ILE 44 -4.648 13.335 -8.515 345 HB ILE 44 HB ILE 44 -7.028 11.582 -9.154 346 HG12 ILE 44 1HG1 ILE 44 -6.793 13.842 -7.153 347 HG13 ILE 44 2HG1 ILE 44 -7.673 13.928 -8.674 348 HG21 ILE 44 1HG2 ILE 44 -5.341 10.481 -7.789 349 HG22 ILE 44 2HG2 ILE 44 -6.784 10.827 -6.837 350 HG23 ILE 44 3HG2 ILE 44 -5.349 11.837 -6.660 351 HD11 ILE 44 3HD1 ILE 44 -8.301 12.114 -6.360 352 HD12 ILE 44 1HD1 ILE 44 -9.175 12.169 -7.891 353 HD13 ILE 44 2HD1 ILE 44 -9.181 13.572 -6.823 354 H ASN 45 H ASN 45 -2.944 12.015 -8.628 355 HA ASN 45 HA ASN 45 -2.817 10.160 -10.924 356 HB2 ASN 45 1HB ASN 45 -0.649 11.794 -9.608 357 HB3 ASN 45 2HB ASN 45 -0.305 10.469 -10.714 358 HD21 ASN 45 2HD2 ASN 45 -1.633 13.671 -10.400 359 HD22 ASN 45 1HD2 ASN 45 -1.644 14.045 -12.090 360 H VAL 46 H VAL 46 -1.680 8.177 -10.653 361 HA VAL 46 HA VAL 46 -2.037 7.073 -7.995 362 HB VAL 46 HB VAL 46 -1.461 4.909 -8.985 363 HG11 VAL 46 1HG1 VAL 46 -3.354 4.723 -10.529 364 HG12 VAL 46 2HG1 VAL 46 -3.435 6.482 -10.637 365 HG13 VAL 46 3HG1 VAL 46 -3.767 5.676 -9.104 366 HG21 VAL 46 3HG2 VAL 46 -1.030 6.462 -11.534 367 HG22 VAL 46 1HG2 VAL 46 -1.051 4.705 -11.394 368 HG23 VAL 46 2HG2 VAL 46 0.213 5.638 -10.592 369 H ASN 47 H ASN 47 0.455 8.553 -9.699 370 HA ASN 47 HA ASN 47 2.559 7.319 -8.087 371 HB2 ASN 47 1HB ASN 47 2.837 9.651 -9.999 372 HB3 ASN 47 2HB ASN 47 4.122 8.632 -9.363 373 HD21 ASN 47 2HD2 ASN 47 1.653 8.980 -11.728 374 HD22 ASN 47 1HD2 ASN 47 2.030 7.563 -12.654 375 H GLU 48 H GLU 48 0.230 9.556 -7.786 376 HA GLU 48 HA GLU 48 1.723 11.446 -6.131 377 HB2 GLU 48 1HB GLU 48 0.286 12.415 -7.820 378 HB3 GLU 48 2HB GLU 48 -1.077 11.456 -7.271 379 HG2 GLU 48 1HG GLU 48 -1.062 12.689 -5.149 380 HG3 GLU 48 2HG GLU 48 0.264 13.684 -5.759 381 H LEU 49 H LEU 49 -0.908 9.118 -6.065 382 HA LEU 49 HA LEU 49 -1.326 9.430 -3.205 383 HB2 LEU 49 1HB LEU 49 -2.486 7.369 -5.075 384 HB3 LEU 49 2HB LEU 49 -3.076 7.795 -3.482 385 HG LEU 49 HG LEU 49 -3.051 9.741 -5.777 386 HD11 LEU 49 1HD1 LEU 49 -5.270 7.904 -4.889 387 HD12 LEU 49 2HD1 LEU 49 -4.385 7.809 -6.413 388 HD13 LEU 49 3HD1 LEU 49 -5.419 9.199 -6.075 389 HD21 LEU 49 3HD2 LEU 49 -4.722 10.902 -4.421 390 HD22 LEU 49 1HD2 LEU 49 -3.202 10.716 -3.546 391 HD23 LEU 49 2HD2 LEU 49 -4.569 9.666 -3.171 392 H PHE 50 H PHE 50 -0.784 7.842 -1.659 393 HA PHE 50 HA PHE 50 0.880 5.632 -2.634 394 HB2 PHE 50 1HB PHE 50 1.671 7.655 -0.544 395 HB3 PHE 50 2HB PHE 50 2.449 6.083 -0.685 396 HD1 PHE 50 HD2 PHE 50 3.483 5.493 -2.954 397 HD2 PHE 50 HD1 PHE 50 2.417 9.447 -1.803 398 HE1 PHE 50 HE2 PHE 50 5.012 6.395 -4.659 399 HE2 PHE 50 HE1 PHE 50 3.942 10.358 -3.505 400 HZ PHE 50 HZ PHE 50 5.241 8.830 -4.935 401 H ALA 51 H ALA 51 1.151 3.891 -1.231 402 HA ALA 51 HA ALA 51 -0.754 3.737 1.007 403 HB1 ALA 51 3HB ALA 51 -1.036 2.003 -0.697 404 HB2 ALA 51 1HB ALA 51 -0.498 1.306 0.830 405 HB3 ALA 51 2HB ALA 51 0.648 1.521 -0.493 406 H TYR 52 H TYR 52 0.009 3.374 3.052 407 HA TYR 52 HA TYR 52 2.937 3.571 3.338 408 HB2 TYR 52 1HB TYR 52 0.738 4.597 5.145 409 HB3 TYR 52 2HB TYR 52 2.456 4.697 5.504 410 HD1 TYR 52 HD2 TYR 52 -0.050 5.754 2.942 411 HD2 TYR 52 HD1 TYR 52 3.649 6.579 4.872 412 HE1 TYR 52 HE2 TYR 52 0.064 7.920 1.785 413 HE2 TYR 52 HE1 TYR 52 3.772 8.746 3.721 414 HH TYR 52 HH TYR 52 1.097 10.031 1.912 415 H VAL 53 H VAL 53 3.976 2.323 4.887 416 HA VAL 53 HA VAL 53 2.268 0.541 6.492 417 HB VAL 53 HB VAL 53 4.344 -0.961 6.639 418 HG11 VAL 53 1HG1 VAL 53 2.326 -1.605 5.456 419 HG12 VAL 53 2HG1 VAL 53 3.753 -2.138 4.568 420 HG13 VAL 53 3HG1 VAL 53 2.858 -0.717 4.027 421 HG21 VAL 53 3HG2 VAL 53 5.960 0.586 5.671 422 HG22 VAL 53 1HG2 VAL 53 5.065 0.585 4.152 423 HG23 VAL 53 2HG2 VAL 53 5.853 -0.890 4.710 424 H ASP 54 H ASP 54 2.292 1.023 8.564 425 HA ASP 54 HA ASP 54 4.290 2.872 9.564 426 HB2 ASP 54 1HB ASP 54 1.938 3.205 10.181 427 HB3 ASP 54 2HB ASP 54 1.907 1.623 10.954 428 H LEU 55 H LEU 55 6.194 2.024 10.044 429 HA LEU 55 HA LEU 55 6.269 -0.580 11.386 430 HB2 LEU 55 1HB LEU 55 8.482 0.974 10.040 431 HB3 LEU 55 2HB LEU 55 8.671 -0.592 10.806 432 HG LEU 55 HG LEU 55 7.075 0.038 8.327 433 HD11 LEU 55 1HD1 LEU 55 9.475 -0.161 7.984 434 HD12 LEU 55 2HD1 LEU 55 8.617 -1.522 7.261 435 HD13 LEU 55 3HD1 LEU 55 9.470 -1.729 8.791 436 HD21 LEU 55 3HD2 LEU 55 7.289 -2.576 9.815 437 HD22 LEU 55 1HD2 LEU 55 6.518 -2.336 8.247 438 HD23 LEU 55 2HD2 LEU 55 5.847 -1.569 9.686 439 H SER 56 H SER 56 5.812 2.317 12.431 440 HA SER 56 HA SER 56 7.859 2.663 14.394 441 HB2 SER 56 1HB SER 56 6.275 4.464 13.575 442 HB3 SER 56 2HB SER 56 5.004 3.674 14.502 443 HG SER 56 HG SER 56 5.968 5.371 15.669 444 H GLY 57 H GLY 57 8.198 0.884 15.641 445 HA2 GLY 57 1HA GLY 57 7.636 -0.421 17.550 446 HA3 GLY 57 2HA GLY 57 5.933 -0.155 17.192 447 H SER 58 H SER 58 8.684 -1.345 15.305 448 HA SER 58 HA SER 58 7.012 -3.592 14.411 449 HB2 SER 58 1HB SER 58 8.800 -3.710 12.565 450 HB3 SER 58 2HB SER 58 7.693 -2.337 12.528 451 HG SER 58 HG SER 58 9.273 -1.009 13.085 452 H GLU 59 H GLU 59 8.168 -5.651 13.997 453 HA GLU 59 HA GLU 59 10.328 -6.071 15.964 454 HB2 GLU 59 1HB GLU 59 8.466 -8.282 15.160 455 HB3 GLU 59 2HB GLU 59 9.440 -8.130 16.613 456 HG2 GLU 59 1HG GLU 59 7.453 -7.688 17.552 457 HG3 GLU 59 2HG GLU 59 7.788 -6.058 16.972 458 HA PRO 60 HA PRO 60 12.784 -7.341 12.478 459 HB2 PRO 60 1HB PRO 60 14.118 -9.053 14.507 460 HB3 PRO 60 2HB PRO 60 14.815 -7.862 13.403 461 HG2 PRO 60 1HG PRO 60 14.552 -7.330 16.002 462 HG3 PRO 60 2HG PRO 60 14.274 -6.075 14.778 463 HD2 PRO 60 1HD PRO 60 12.294 -7.647 16.370 464 HD3 PRO 60 2HD PRO 60 12.244 -5.944 15.871 465 H GLY 61 H GLY 61 12.962 -9.109 11.121 466 HA2 GLY 61 1HA GLY 61 12.788 -11.468 10.670 467 HA3 GLY 61 2HA GLY 61 11.649 -11.592 12.005 468 H GLU 62 H GLU 62 10.507 -12.756 10.174 469 HA GLU 62 HA GLU 62 9.225 -11.023 8.232 470 HB2 GLU 62 1HB GLU 62 8.851 -13.961 8.856 471 HB3 GLU 62 2HB GLU 62 8.089 -13.110 7.518 472 HG2 GLU 62 1HG GLU 62 10.174 -12.744 6.449 473 HG3 GLU 62 2HG GLU 62 11.067 -13.289 7.868 474 H HIS 63 H HIS 63 7.597 -9.768 8.889 475 HA HIS 63 HA HIS 63 5.524 -10.992 10.556 476 HB2 HIS 63 1HB HIS 63 6.963 -8.415 11.137 477 HB3 HIS 63 2HB HIS 63 5.328 -8.700 11.725 478 HD1 HIS 63 HD1 HIS 63 8.691 -9.010 12.811 479 HD2 HIS 63 HD2 HIS 63 5.277 -11.354 13.181 480 HE1 HIS 63 HE1 HIS 63 9.136 -10.562 14.742 481 HE2 HIS 63 HE2 HIS 63 6.981 -11.839 15.052 482 H ASP 64 H ASP 64 3.468 -10.272 10.203 483 HA ASP 64 HA ASP 64 3.046 -8.981 7.646 484 HB2 ASP 64 1HB ASP 64 1.163 -10.236 9.645 485 HB3 ASP 64 2HB ASP 64 0.617 -9.451 8.170 486 H TYR 65 H TYR 65 2.617 -6.904 7.387 487 HA TYR 65 HA TYR 65 1.602 -5.395 9.700 488 HB2 TYR 65 1HB TYR 65 3.661 -4.547 7.658 489 HB3 TYR 65 2HB TYR 65 2.844 -3.410 8.730 490 HD1 TYR 65 HD1 TYR 65 3.249 -3.465 11.145 491 HD2 TYR 65 HD2 TYR 65 5.357 -6.049 8.505 492 HE1 TYR 65 HE1 TYR 65 4.855 -3.975 12.935 493 HE2 TYR 65 HE2 TYR 65 6.971 -6.563 10.287 494 HH TYR 65 HH TYR 65 6.414 -5.781 13.547 495 H GLU 66 H GLU 66 0.273 -3.546 9.175 496 HA GLU 66 HA GLU 66 -1.540 -4.400 7.059 497 HB2 GLU 66 1HB GLU 66 -2.275 -4.005 9.446 498 HB3 GLU 66 2HB GLU 66 -2.005 -2.291 9.165 499 HG2 GLU 66 1HG GLU 66 -3.700 -2.248 7.467 500 HG3 GLU 66 2HG GLU 66 -3.901 -3.998 7.571 501 H VAL 67 H VAL 67 -2.257 -3.106 5.412 502 HA VAL 67 HA VAL 67 -0.413 -1.031 4.603 503 HB VAL 67 HB VAL 67 -2.846 -2.135 3.186 504 HG11 VAL 67 1HG1 VAL 67 -0.616 -0.383 2.153 505 HG12 VAL 67 2HG1 VAL 67 -2.292 0.106 2.409 506 HG13 VAL 67 3HG1 VAL 67 -1.902 -1.095 1.178 507 HG21 VAL 67 3HG2 VAL 67 -1.222 -3.370 1.823 508 HG22 VAL 67 1HG2 VAL 67 -1.137 -3.831 3.523 509 HG23 VAL 67 2HG2 VAL 67 0.086 -2.760 2.839 510 H LYS 68 H LYS 68 -0.674 1.018 5.017 511 HA LYS 68 HA LYS 68 -3.278 2.064 5.848 512 HB2 LYS 68 1HB LYS 68 -1.220 2.508 7.196 513 HB3 LYS 68 2HB LYS 68 -0.549 3.375 5.825 514 HG2 LYS 68 1HG LYS 68 -2.504 4.933 5.974 515 HG3 LYS 68 2HG LYS 68 -2.930 4.135 7.492 516 HD2 LYS 68 1HD LYS 68 -0.607 4.655 8.296 517 HD3 LYS 68 2HD LYS 68 -0.405 5.649 6.853 518 HE2 LYS 68 1HE LYS 68 -2.406 6.028 9.071 519 HE3 LYS 68 2HE LYS 68 -1.033 7.062 8.686 520 HZ1 LYS 68 3HZ LYS 68 -3.509 6.676 7.105 521 HZ2 LYS 68 1HZ LYS 68 -2.135 7.459 6.486 522 HZ3 LYS 68 2HZ LYS 68 -2.949 8.100 7.829 523 H VAL 69 H VAL 69 -4.536 2.881 4.255 524 HA VAL 69 HA VAL 69 -3.259 3.669 1.748 525 HB VAL 69 HB VAL 69 -6.206 3.383 2.363 526 HG11 VAL 69 1HG1 VAL 69 -4.743 3.635 -0.264 527 HG12 VAL 69 2HG1 VAL 69 -5.771 4.861 0.479 528 HG13 VAL 69 3HG1 VAL 69 -6.472 3.340 -0.076 529 HG21 VAL 69 3HG2 VAL 69 -6.060 1.251 1.162 530 HG22 VAL 69 1HG2 VAL 69 -5.053 1.253 2.611 531 HG23 VAL 69 2HG2 VAL 69 -4.313 1.455 1.023 532 H GLU 70 H GLU 70 -2.954 5.725 1.194 533 HA GLU 70 HA GLU 70 -3.813 7.863 2.876 534 HB2 GLU 70 1HB GLU 70 -1.696 7.865 1.566 535 HB3 GLU 70 2HB GLU 70 -2.642 7.982 0.091 536 HG2 GLU 70 1HG GLU 70 -3.423 10.150 0.672 537 HG3 GLU 70 2HG GLU 70 -2.751 10.017 2.297 538 HA PRO 71 HA PRO 71 -7.955 8.148 1.345 539 HB2 PRO 71 1HB PRO 71 -7.721 10.933 2.356 540 HB3 PRO 71 2HB PRO 71 -8.930 9.698 2.722 541 HG2 PRO 71 1HG PRO 71 -7.044 10.309 4.494 542 HG3 PRO 71 2HG PRO 71 -7.566 8.629 4.263 543 HD2 PRO 71 1HD PRO 71 -5.093 9.999 3.287 544 HD3 PRO 71 2HD PRO 71 -5.297 8.348 3.908 545 H ILE 72 H ILE 72 -8.544 8.473 -0.668 546 HA ILE 72 HA ILE 72 -7.224 10.463 -2.320 547 HB ILE 72 HB ILE 72 -9.393 8.504 -3.096 548 HG12 ILE 72 1HG1 ILE 72 -6.395 8.223 -3.399 549 HG13 ILE 72 2HG1 ILE 72 -7.366 7.377 -2.200 550 HG21 ILE 72 1HG2 ILE 72 -9.162 10.372 -4.637 551 HG22 ILE 72 2HG2 ILE 72 -8.574 8.883 -5.378 552 HG23 ILE 72 3HG2 ILE 72 -7.428 10.073 -4.762 553 HD11 ILE 72 3HD1 ILE 72 -6.845 5.946 -4.088 554 HD12 ILE 72 1HD1 ILE 72 -7.608 7.096 -5.187 555 HD13 ILE 72 2HD1 ILE 72 -8.580 6.244 -3.986 556 HA PRO 73 HA PRO 73 -10.574 13.295 -1.366 557 HB2 PRO 73 1HB PRO 73 -9.670 15.348 -2.907 558 HB3 PRO 73 2HB PRO 73 -9.019 14.977 -1.307 559 HG2 PRO 73 1HG PRO 73 -7.933 14.282 -4.006 560 HG3 PRO 73 2HG PRO 73 -7.072 14.845 -2.562 561 HD2 PRO 73 1HD PRO 73 -7.127 12.241 -3.308 562 HD3 PRO 73 2HD PRO 73 -7.036 12.749 -1.610 563 H ASN 74 H ASN 74 -12.496 13.529 -2.278 564 HA ASN 74 HA ASN 74 -14.153 13.874 -3.784 565 HB2 ASN 74 1HB ASN 74 -11.857 14.408 -5.669 566 HB3 ASN 74 2HB ASN 74 -13.546 14.546 -6.145 567 HD21 ASN 74 2HD2 ASN 74 -13.315 16.743 -6.573 568 HD22 ASN 74 1HD2 ASN 74 -13.184 17.914 -5.301 569 H ILE 75 H ILE 75 -12.248 11.274 -3.716 570 HA ILE 75 HA ILE 75 -13.995 9.830 -5.600 571 HB ILE 75 HB ILE 75 -11.045 9.278 -5.175 572 HG12 ILE 75 1HG1 ILE 75 -12.531 10.293 -7.611 573 HG13 ILE 75 2HG1 ILE 75 -11.416 11.224 -6.616 574 HG21 ILE 75 1HG2 ILE 75 -11.325 7.549 -6.890 575 HG22 ILE 75 2HG2 ILE 75 -13.057 7.875 -6.931 576 HG23 ILE 75 3HG2 ILE 75 -12.317 7.227 -5.469 577 HD11 ILE 75 3HD1 ILE 75 -9.595 9.736 -7.277 578 HD12 ILE 75 1HD1 ILE 75 -10.356 10.505 -8.670 579 HD13 ILE 75 2HD1 ILE 75 -10.717 8.822 -8.284 580 H LYS 76 H LYS 76 -14.876 7.963 -4.758 581 HA LYS 76 HA LYS 76 -14.307 7.448 -1.945 582 HB2 LYS 76 1HB LYS 76 -16.655 7.596 -2.632 583 HB3 LYS 76 2HB LYS 76 -16.416 6.279 -3.773 584 HG2 LYS 76 1HG LYS 76 -15.753 4.857 -1.786 585 HG3 LYS 76 2HG LYS 76 -16.372 6.163 -0.774 586 HD2 LYS 76 1HD LYS 76 -18.065 4.442 -1.097 587 HD3 LYS 76 2HD LYS 76 -18.561 5.957 -1.857 588 HE2 LYS 76 1HE LYS 76 -17.871 5.122 -4.027 589 HE3 LYS 76 2HE LYS 76 -17.279 3.634 -3.291 590 HZ1 LYS 76 3HZ LYS 76 -19.455 2.972 -2.752 591 HZ2 LYS 76 1HZ LYS 76 -19.525 3.510 -4.358 592 HZ3 LYS 76 2HZ LYS 76 -20.107 4.498 -3.104 593 H ILE 77 H ILE 77 -12.939 5.888 -1.328 594 HA ILE 77 HA ILE 77 -11.986 3.958 -3.256 595 HB ILE 77 HB ILE 77 -10.440 4.924 -1.569 596 HG12 ILE 77 1HG1 ILE 77 -10.798 1.930 -1.309 597 HG13 ILE 77 2HG1 ILE 77 -9.991 2.737 -2.649 598 HG21 ILE 77 1HG2 ILE 77 -12.038 3.300 0.408 599 HG22 ILE 77 2HG2 ILE 77 -11.971 5.062 0.321 600 HG23 ILE 77 3HG2 ILE 77 -10.527 4.144 0.749 601 HD11 ILE 77 3HD1 ILE 77 -9.108 2.791 0.226 602 HD12 ILE 77 1HD1 ILE 77 -8.291 3.578 -1.123 603 HD13 ILE 77 2HD1 ILE 77 -8.398 1.818 -1.062 604 H VAL 78 H VAL 78 -12.442 1.788 -3.298 605 HA VAL 78 HA VAL 78 -14.814 1.009 -1.738 606 HB VAL 78 HB VAL 78 -13.817 -0.194 -4.322 607 HG11 VAL 78 1HG1 VAL 78 -16.045 -1.213 -4.428 608 HG12 VAL 78 2HG1 VAL 78 -16.424 -0.529 -2.846 609 HG13 VAL 78 3HG1 VAL 78 -15.143 -1.733 -3.004 610 HG21 VAL 78 3HG2 VAL 78 -16.011 1.821 -3.879 611 HG22 VAL 78 1HG2 VAL 78 -15.665 1.003 -5.402 612 HG23 VAL 78 2HG2 VAL 78 -14.477 2.101 -4.702 613 H GLU 79 H GLU 79 -12.114 -0.633 -3.363 614 HA GLU 79 HA GLU 79 -12.227 -2.650 -1.230 615 HB2 GLU 79 1HB GLU 79 -12.806 -3.398 -3.543 616 HB3 GLU 79 2HB GLU 79 -11.179 -2.966 -4.049 617 HG2 GLU 79 1HG GLU 79 -11.428 -5.365 -3.637 618 HG3 GLU 79 2HG GLU 79 -10.233 -4.622 -2.572 619 H ILE 80 H ILE 80 -10.412 -3.298 -0.200 620 HA ILE 80 HA ILE 80 -7.900 -1.923 -0.894 621 HB ILE 80 HB ILE 80 -8.850 -2.715 1.869 622 HG12 ILE 80 1HG1 ILE 80 -8.440 0.023 0.636 623 HG13 ILE 80 2HG1 ILE 80 -9.998 -0.723 0.976 624 HG21 ILE 80 1HG2 ILE 80 -6.310 -1.342 0.993 625 HG22 ILE 80 2HG2 ILE 80 -6.445 -2.977 1.641 626 HG23 ILE 80 3HG2 ILE 80 -6.817 -1.590 2.665 627 HD11 ILE 80 3HD1 ILE 80 -7.928 0.052 3.021 628 HD12 ILE 80 1HD1 ILE 80 -9.491 -0.690 3.363 629 HD13 ILE 80 2HD1 ILE 80 -9.417 0.926 2.661 630 H SER 81 H SER 81 -6.607 -3.382 -1.807 631 HA SER 81 HA SER 81 -6.223 -5.940 -0.471 632 HB2 SER 81 1HB SER 81 -6.872 -5.694 -3.418 633 HB3 SER 81 2HB SER 81 -6.434 -7.184 -2.581 634 HG SER 81 HG SER 81 -8.492 -5.867 -1.365 635 HA PRO 82 HA PRO 82 -4.997 -7.097 0.093 636 HB2 PRO 82 1HB PRO 82 -2.717 -7.651 1.376 637 HB3 PRO 82 2HB PRO 82 -3.082 -8.367 -0.198 638 HG2 PRO 82 1HG PRO 82 -1.255 -6.113 0.482 639 HG3 PRO 82 2HG PRO 82 -1.063 -7.388 -0.733 640 HD2 PRO 82 1HD PRO 82 -1.935 -4.786 -1.229 641 HD3 PRO 82 2HD PRO 82 -2.147 -6.171 -2.316 642 H ARG 83 H ARG 83 -5.313 -6.929 2.372 643 HA ARG 83 HA ARG 83 -5.115 -4.232 3.384 644 HB2 ARG 83 1HB ARG 83 -6.214 -6.780 4.584 645 HB3 ARG 83 2HB ARG 83 -6.259 -5.219 5.393 646 HG2 ARG 83 1HG ARG 83 -7.735 -4.316 3.792 647 HG3 ARG 83 2HG ARG 83 -7.478 -5.669 2.688 648 HD2 ARG 83 1HD ARG 83 -8.766 -5.876 5.405 649 HD3 ARG 83 2HD ARG 83 -9.644 -5.783 3.878 650 HE ARG 83 HE ARG 83 -7.903 -7.889 3.585 651 HH11 ARG 83 1HH1 ARG 83 -10.482 -7.050 5.802 652 HH12 ARG 83 2HH1 ARG 83 -10.941 -8.705 6.094 653 HH21 ARG 83 1HH2 ARG 83 -8.500 -10.055 3.953 654 HH22 ARG 83 2HH2 ARG 83 -9.801 -10.422 5.048 655 H VAL 84 H VAL 84 -3.576 -7.332 3.936 656 HA VAL 84 HA VAL 84 -1.644 -5.993 5.704 657 HB VAL 84 HB VAL 84 -2.764 -8.776 6.111 658 HG11 VAL 84 1HG1 VAL 84 -0.730 -7.244 7.721 659 HG12 VAL 84 2HG1 VAL 84 -0.407 -8.644 6.699 660 HG13 VAL 84 3HG1 VAL 84 -1.410 -8.818 8.140 661 HG21 VAL 84 3HG2 VAL 84 -4.340 -7.056 6.796 662 HG22 VAL 84 1HG2 VAL 84 -3.089 -6.272 7.761 663 HG23 VAL 84 2HG2 VAL 84 -3.669 -7.877 8.206 664 H VAL 85 H VAL 85 0.437 -6.322 5.160 665 HA VAL 85 HA VAL 85 1.001 -8.404 3.149 666 HB VAL 85 HB VAL 85 2.866 -6.975 2.353 667 HG11 VAL 85 1HG1 VAL 85 0.147 -5.678 2.242 668 HG12 VAL 85 2HG1 VAL 85 0.732 -6.964 1.186 669 HG13 VAL 85 3HG1 VAL 85 1.484 -5.370 1.133 670 HG21 VAL 85 3HG2 VAL 85 3.235 -5.644 4.357 671 HG22 VAL 85 1HG2 VAL 85 1.652 -4.891 4.169 672 HG23 VAL 85 2HG2 VAL 85 2.914 -4.600 2.973 673 H THR 86 H THR 86 2.730 -9.713 3.435 674 HA THR 86 HA THR 86 3.935 -9.824 6.052 675 HB THR 86 HB THR 86 4.683 -11.467 3.629 676 HG1 THR 86 HG1 THR 86 2.515 -11.746 5.471 677 HG21 THR 86 3HG2 THR 86 4.818 -12.036 6.593 678 HG22 THR 86 1HG2 THR 86 6.190 -11.651 5.552 679 HG23 THR 86 2HG2 THR 86 5.291 -13.148 5.310 680 H LEU 87 H LEU 87 5.672 -8.646 6.598 681 HA LEU 87 HA LEU 87 7.535 -7.862 4.452 682 HB2 LEU 87 1HB LEU 87 6.923 -6.458 7.054 683 HB3 LEU 87 2HB LEU 87 8.135 -5.945 5.897 684 HG LEU 87 HG LEU 87 5.153 -6.026 5.437 685 HD11 LEU 87 1HD1 LEU 87 5.860 -4.206 6.888 686 HD12 LEU 87 2HD1 LEU 87 5.350 -3.596 5.312 687 HD13 LEU 87 3HD1 LEU 87 7.067 -3.715 5.700 688 HD21 LEU 87 3HD2 LEU 87 6.358 -6.578 3.397 689 HD22 LEU 87 1HD2 LEU 87 7.380 -5.152 3.600 690 HD23 LEU 87 2HD2 LEU 87 5.654 -4.964 3.290 691 H GLN 88 H GLN 88 9.465 -8.763 4.528 692 HA GLN 88 HA GLN 88 10.374 -10.066 6.963 693 HB2 GLN 88 1HB GLN 88 10.650 -11.251 4.846 694 HB3 GLN 88 2HB GLN 88 11.596 -9.918 4.198 695 HG2 GLN 88 1HG GLN 88 13.352 -10.345 5.813 696 HG3 GLN 88 2HG GLN 88 12.392 -11.630 6.545 697 HE21 GLN 88 2HE2 GLN 88 15.044 -11.698 5.296 698 HE22 GLN 88 1HE2 GLN 88 14.943 -12.881 4.039 699 H LEU 89 H LEU 89 11.139 -8.693 8.428 700 HA LEU 89 HA LEU 89 12.849 -6.482 7.581 701 HB2 LEU 89 1HB LEU 89 11.681 -7.186 10.273 702 HB3 LEU 89 2HB LEU 89 12.720 -5.806 9.976 703 HG LEU 89 HG LEU 89 10.023 -6.242 8.698 704 HD11 LEU 89 1HD1 LEU 89 9.826 -5.812 11.085 705 HD12 LEU 89 2HD1 LEU 89 9.272 -4.423 10.151 706 HD13 LEU 89 3HD1 LEU 89 10.857 -4.391 10.925 707 HD21 LEU 89 3HD2 LEU 89 10.265 -3.926 7.950 708 HD22 LEU 89 1HD2 LEU 89 11.540 -4.952 7.294 709 HD23 LEU 89 2HD2 LEU 89 11.885 -3.871 8.644 710 H GLU 90 H GLU 90 14.946 -6.535 7.735 711 HA GLU 90 HA GLU 90 16.221 -8.839 9.023 712 HB2 GLU 90 1HB GLU 90 16.720 -8.484 6.650 713 HB3 GLU 90 2HB GLU 90 17.271 -6.853 6.991 714 HG2 GLU 90 1HG GLU 90 19.119 -8.412 6.635 715 HG3 GLU 90 2HG GLU 90 19.144 -7.703 8.247 716 H HIS 91 H HIS 91 18.147 -8.500 10.265 717 HA HIS 91 HA HIS 91 17.837 -6.259 12.072 718 HB2 HIS 91 1HB HIS 91 19.992 -8.381 12.140 719 HB3 HIS 91 2HB HIS 91 19.459 -7.360 13.465 720 HD1 HIS 91 HD1 HIS 91 17.795 -8.375 15.010 721 HD2 HIS 91 HD2 HIS 91 17.916 -10.320 11.335 722 HE1 HIS 91 HE1 HIS 91 16.286 -10.378 15.246 723 HE2 HIS 91 HE2 HIS 91 16.300 -11.489 12.980 724 H HIS 92 H HIS 92 18.435 -4.470 10.836 725 HA HIS 92 HA HIS 92 20.864 -4.308 9.379 726 HB2 HIS 92 1HB HIS 92 19.142 -2.753 8.812 727 HB3 HIS 92 2HB HIS 92 18.989 -2.204 10.475 728 HD1 HIS 92 HD1 HIS 92 20.781 -1.518 7.317 729 HD2 HIS 92 HD2 HIS 92 21.128 -0.487 11.337 730 HE1 HIS 92 HE1 HIS 92 22.334 0.463 7.389 731 HE2 HIS 92 HE2 HIS 92 22.363 1.182 9.808 732 H HIS 93 H HIS 93 22.780 -4.543 10.292 733 HA HIS 93 HA HIS 93 23.252 -3.688 13.025 734 HB2 HIS 93 1HB HIS 93 24.939 -5.106 10.970 735 HB3 HIS 93 2HB HIS 93 25.632 -4.501 12.470 736 HD1 HIS 93 HD1 HIS 93 25.018 -5.726 14.645 737 HD2 HIS 93 HD2 HIS 93 23.278 -7.348 11.236 738 HE1 HIS 93 HE1 HIS 93 24.129 -7.977 15.342 739 HE2 HIS 93 HE2 HIS 93 23.280 -9.021 13.208 740 H HIS 94 H HIS 94 25.107 -2.321 13.556 741 HA HIS 94 HA HIS 94 25.543 -0.260 11.498 742 HB2 HIS 94 1HB HIS 94 23.956 0.588 13.152 743 HB3 HIS 94 2HB HIS 94 25.056 0.161 14.457 744 HD1 HIS 94 HD1 HIS 94 26.991 1.756 14.950 745 HD2 HIS 94 HD2 HIS 94 24.677 2.903 11.689 746 HE1 HIS 94 HE1 HIS 94 27.721 4.095 14.389 747 HE2 HIS 94 HE2 HIS 94 26.191 4.831 12.529 748 H HIS 95 H HIS 95 27.591 0.383 11.205 749 HA HIS 95 HA HIS 95 29.569 -0.136 13.282 750 HB2 HIS 95 1HB HIS 95 31.088 -1.335 11.880 751 HB3 HIS 95 2HB HIS 95 29.534 -2.141 11.742 752 HD1 HIS 95 HD1 HIS 95 28.136 -1.368 9.450 753 HD2 HIS 95 HD2 HIS 95 32.257 -0.815 9.514 754 HE1 HIS 95 HE1 HIS 95 28.828 -1.135 7.048 755 HE2 HIS 95 HE2 HIS 95 31.345 -1.065 7.107 756 H HIS 96 H HIS 96 30.752 1.640 13.541 757 HA HIS 96 HA HIS 96 30.407 3.826 11.729 758 HB2 HIS 96 1HB HIS 96 31.687 5.150 13.261 759 HB3 HIS 96 2HB HIS 96 30.635 4.113 14.210 760 HD1 HIS 96 HD1 HIS 96 31.828 2.059 15.434 761 HD2 HIS 96 HD2 HIS 96 34.361 4.923 13.792 762 HE1 HIS 96 HE1 HIS 96 34.072 1.677 16.500 763 HE2 HIS 96 HE2 HIS 96 35.571 3.466 15.554 Start of MODEL 19 1 H1 SER 1 1H SER 1 -19.615 -5.505 -20.354 2 H2 SER 1 2H SER 1 -18.642 -4.412 -19.502 3 H3 SER 1 3H SER 1 -18.402 -6.082 -19.321 4 HA SER 1 HA SER 1 -17.793 -6.236 -21.664 5 HB2 SER 1 1HB SER 1 -17.222 -4.023 -22.766 6 HB3 SER 1 2HB SER 1 -18.943 -4.354 -22.575 7 HG SER 1 HG SER 1 -17.616 -2.253 -21.722 8 H SER 2 H SER 2 -16.831 -3.836 -19.247 9 HA SER 2 HA SER 2 -14.022 -4.327 -19.719 10 HB2 SER 2 1HB SER 2 -15.393 -2.745 -17.526 11 HB3 SER 2 2HB SER 2 -13.672 -2.710 -17.913 12 HG SER 2 HG SER 2 -15.399 -1.092 -18.862 13 H GLN 3 H GLN 3 -12.616 -4.966 -17.838 14 HA GLN 3 HA GLN 3 -13.676 -7.417 -16.720 15 HB2 GLN 3 1HB GLN 3 -10.947 -6.155 -16.381 16 HB3 GLN 3 2HB GLN 3 -11.390 -7.795 -15.925 17 HG2 GLN 3 1HG GLN 3 -11.311 -6.666 -18.713 18 HG3 GLN 3 2HG GLN 3 -10.170 -7.807 -18.003 19 HE21 GLN 3 2HE2 GLN 3 -11.837 -8.070 -20.381 20 HE22 GLN 3 1HE2 GLN 3 -12.822 -9.477 -20.133 21 H THR 4 H THR 4 -14.022 -4.371 -15.847 22 HA THR 4 HA THR 4 -14.710 -5.023 -13.125 23 HB THR 4 HB THR 4 -12.751 -2.764 -13.671 24 HG1 THR 4 HG1 THR 4 -12.318 -5.384 -13.252 25 HG21 THR 4 3HG2 THR 4 -14.294 -2.315 -11.812 26 HG22 THR 4 1HG2 THR 4 -12.643 -2.555 -11.238 27 HG23 THR 4 2HG2 THR 4 -13.833 -3.844 -11.066 28 H LEU 5 H LEU 5 -16.174 -3.377 -12.252 29 HA LEU 5 HA LEU 5 -17.932 -2.227 -14.059 30 HB2 LEU 5 1HB LEU 5 -17.326 -1.398 -11.223 31 HB3 LEU 5 2HB LEU 5 -18.705 -0.832 -12.144 32 HG LEU 5 HG LEU 5 -18.189 -3.704 -11.367 33 HD11 LEU 5 1HD1 LEU 5 -20.088 -3.407 -9.861 34 HD12 LEU 5 2HD1 LEU 5 -20.182 -1.704 -10.309 35 HD13 LEU 5 3HD1 LEU 5 -18.767 -2.313 -9.450 36 HD21 LEU 5 3HD2 LEU 5 -20.548 -2.415 -12.732 37 HD22 LEU 5 1HD2 LEU 5 -20.452 -4.096 -12.207 38 HD23 LEU 5 2HD2 LEU 5 -19.386 -3.508 -13.483 39 H ASP 6 H ASP 6 -18.166 -0.221 -14.975 40 HA ASP 6 HA ASP 6 -15.666 1.026 -15.588 41 HB2 ASP 6 1HB ASP 6 -18.479 1.671 -16.487 42 HB3 ASP 6 2HB ASP 6 -17.029 2.441 -17.124 43 H ARG 7 H ARG 7 -17.916 1.559 -13.159 44 HA ARG 7 HA ARG 7 -17.248 4.404 -12.894 45 HB2 ARG 7 1HB ARG 7 -19.172 2.638 -11.371 46 HB3 ARG 7 2HB ARG 7 -18.877 4.329 -10.992 47 HG2 ARG 7 1HG ARG 7 -19.783 5.025 -13.083 48 HG3 ARG 7 2HG ARG 7 -19.894 3.355 -13.646 49 HD2 ARG 7 1HD ARG 7 -21.532 2.860 -11.922 50 HD3 ARG 7 2HD ARG 7 -21.387 4.501 -11.289 51 HE ARG 7 HE ARG 7 -22.654 5.289 -13.048 52 HH11 ARG 7 1HH1 ARG 7 -21.927 1.877 -13.505 53 HH12 ARG 7 2HH1 ARG 7 -23.053 1.698 -14.819 54 HH21 ARG 7 1HH2 ARG 7 -24.131 5.025 -14.778 55 HH22 ARG 7 2HH2 ARG 7 -24.279 3.474 -15.549 56 H ASP 8 H ASP 8 -15.844 1.606 -12.188 57 HA ASP 8 HA ASP 8 -14.967 2.389 -9.489 58 HB2 ASP 8 1HB ASP 8 -15.268 -0.391 -10.656 59 HB3 ASP 8 2HB ASP 8 -14.652 -0.029 -9.051 60 HA PRO 9 HA PRO 9 -11.247 2.550 -12.184 61 HB2 PRO 9 1HB PRO 9 -10.316 4.458 -10.156 62 HB3 PRO 9 2HB PRO 9 -10.472 4.665 -11.903 63 HG2 PRO 9 1HG PRO 9 -12.118 5.905 -10.180 64 HG3 PRO 9 2HG PRO 9 -12.682 5.325 -11.759 65 HD2 PRO 9 1HD PRO 9 -13.011 4.081 -9.053 66 HD3 PRO 9 2HD PRO 9 -14.199 4.245 -10.367 67 H THR 10 H THR 10 -9.765 1.050 -11.937 68 HA THR 10 HA THR 10 -9.035 0.116 -9.278 69 HB THR 10 HB THR 10 -8.166 -0.940 -11.979 70 HG1 THR 10 HG1 THR 10 -10.558 -0.962 -11.076 71 HG21 THR 10 3HG2 THR 10 -6.701 -1.603 -10.134 72 HG22 THR 10 1HG2 THR 10 -7.632 -2.980 -10.724 73 HG23 THR 10 2HG2 THR 10 -8.098 -2.178 -9.224 74 H LEU 11 H LEU 11 -7.329 0.953 -8.270 75 HA LEU 11 HA LEU 11 -5.391 2.461 -9.891 76 HB2 LEU 11 1HB LEU 11 -6.146 2.836 -6.996 77 HB3 LEU 11 2HB LEU 11 -4.979 3.802 -7.881 78 HG LEU 11 HG LEU 11 -7.923 3.635 -8.486 79 HD11 LEU 11 1HD1 LEU 11 -7.494 4.824 -6.414 80 HD12 LEU 11 2HD1 LEU 11 -7.985 5.951 -7.679 81 HD13 LEU 11 3HD1 LEU 11 -6.287 5.826 -7.220 82 HD21 LEU 11 3HD2 LEU 11 -6.609 4.022 -10.490 83 HD22 LEU 11 1HD2 LEU 11 -5.760 5.348 -9.694 84 HD23 LEU 11 2HD2 LEU 11 -7.486 5.482 -10.032 85 H THR 12 H THR 12 -3.361 1.938 -9.864 86 HA THR 12 HA THR 12 -2.434 -0.119 -7.985 87 HB THR 12 HB THR 12 -0.977 0.813 -10.461 88 HG1 THR 12 HG1 THR 12 -3.024 0.070 -11.124 89 HG21 THR 12 3HG2 THR 12 0.047 -1.418 -10.329 90 HG22 THR 12 1HG2 THR 12 -0.905 -1.769 -8.888 91 HG23 THR 12 2HG2 THR 12 0.320 -0.502 -8.848 92 H LEU 13 H LEU 13 -1.763 0.945 -6.194 93 HA LEU 13 HA LEU 13 -0.048 3.315 -6.542 94 HB2 LEU 13 1HB LEU 13 -1.511 2.396 -4.064 95 HB3 LEU 13 2HB LEU 13 -0.628 3.898 -4.254 96 HG LEU 13 HG LEU 13 -3.166 3.149 -5.708 97 HD11 LEU 13 1HD1 LEU 13 -2.652 5.152 -3.516 98 HD12 LEU 13 2HD1 LEU 13 -3.539 3.637 -3.356 99 HD13 LEU 13 3HD1 LEU 13 -4.177 4.929 -4.373 100 HD21 LEU 13 3HD2 LEU 13 -1.575 5.711 -5.762 101 HD22 LEU 13 1HD2 LEU 13 -3.131 5.438 -6.548 102 HD23 LEU 13 2HD2 LEU 13 -1.706 4.547 -7.081 103 H SER 14 H SER 14 2.028 3.277 -5.816 104 HA SER 14 HA SER 14 3.164 0.744 -5.153 105 HB2 SER 14 1HB SER 14 4.472 3.471 -5.045 106 HB3 SER 14 2HB SER 14 5.286 1.909 -5.150 107 HG SER 14 HG SER 14 4.200 3.449 -7.117 108 H LEU 15 H LEU 15 4.002 0.025 -3.235 109 HA LEU 15 HA LEU 15 2.948 1.281 -0.838 110 HB2 LEU 15 1HB LEU 15 2.771 -1.160 -1.181 111 HB3 LEU 15 2HB LEU 15 4.519 -1.276 -1.203 112 HG LEU 15 HG LEU 15 4.571 -0.479 1.148 113 HD11 LEU 15 1HD1 LEU 15 2.476 0.769 1.146 114 HD12 LEU 15 2HD1 LEU 15 2.494 -0.439 2.431 115 HD13 LEU 15 3HD1 LEU 15 1.573 -0.734 0.956 116 HD21 LEU 15 3HD2 LEU 15 4.632 -2.862 0.662 117 HD22 LEU 15 1HD2 LEU 15 2.870 -2.917 0.635 118 HD23 LEU 15 2HD2 LEU 15 3.718 -2.555 2.137 119 H ILE 16 H ILE 16 4.091 2.650 0.356 120 HA ILE 16 HA ILE 16 7.014 2.697 0.004 121 HB ILE 16 HB ILE 16 6.958 5.018 0.797 122 HG12 ILE 16 1HG1 ILE 16 3.944 4.746 0.734 123 HG13 ILE 16 2HG1 ILE 16 4.909 4.771 2.206 124 HG21 ILE 16 1HG2 ILE 16 5.874 6.006 -1.173 125 HG22 ILE 16 2HG2 ILE 16 5.077 4.466 -1.493 126 HG23 ILE 16 3HG2 ILE 16 6.834 4.586 -1.587 127 HD11 ILE 16 3HD1 ILE 16 3.914 6.934 1.794 128 HD12 ILE 16 1HD1 ILE 16 4.672 7.004 0.202 129 HD13 ILE 16 2HD1 ILE 16 5.670 7.031 1.656 130 H ALA 17 H ALA 17 8.361 3.023 1.806 131 HA ALA 17 HA ALA 17 7.417 1.833 4.269 132 HB1 ALA 17 3HB ALA 17 9.743 2.045 4.990 133 HB2 ALA 17 1HB ALA 17 10.110 2.990 3.547 134 HB3 ALA 17 2HB ALA 17 9.638 1.297 3.395 135 H LYS 18 H LYS 18 6.300 3.054 5.675 136 HA LYS 18 HA LYS 18 7.023 5.898 5.883 137 HB2 LYS 18 1HB LYS 18 4.702 5.495 5.174 138 HB3 LYS 18 2HB LYS 18 4.420 4.559 6.638 139 HG2 LYS 18 1HG LYS 18 4.966 6.595 7.964 140 HG3 LYS 18 2HG LYS 18 5.044 7.497 6.450 141 HD2 LYS 18 1HD LYS 18 2.728 6.984 5.988 142 HD3 LYS 18 2HD LYS 18 2.635 5.976 7.433 143 HE2 LYS 18 1HE LYS 18 3.110 8.950 7.332 144 HE3 LYS 18 2HE LYS 18 1.641 8.137 7.872 145 HZ1 LYS 18 3HZ LYS 18 3.192 7.021 9.573 146 HZ2 LYS 18 1HZ LYS 18 2.745 8.639 9.833 147 HZ3 LYS 18 2HZ LYS 18 4.273 8.278 9.202 148 H ASN 19 H ASN 19 7.724 6.709 7.738 149 HA ASN 19 HA ASN 19 8.350 6.932 9.907 150 HB2 ASN 19 1HB ASN 19 5.880 6.606 10.241 151 HB3 ASN 19 2HB ASN 19 6.191 4.895 10.509 152 HD21 ASN 19 2HD2 ASN 19 5.305 5.052 12.578 153 HD22 ASN 19 1HD2 ASN 19 6.176 5.775 13.889 154 H THR 20 H THR 20 9.304 4.671 8.129 155 HA THR 20 HA THR 20 9.984 2.493 9.825 156 HB THR 20 HB THR 20 11.237 3.305 7.195 157 HG1 THR 20 HG1 THR 20 8.768 2.335 7.810 158 HG21 THR 20 3HG2 THR 20 11.115 0.635 8.608 159 HG22 THR 20 1HG2 THR 20 12.551 1.644 8.420 160 HG23 THR 20 2HG2 THR 20 11.792 0.920 7.005 161 HA PRO 21 HA PRO 21 13.391 4.647 11.796 162 HB2 PRO 21 1HB PRO 21 13.841 2.157 13.243 163 HB3 PRO 21 2HB PRO 21 13.296 3.717 13.860 164 HG2 PRO 21 1HG PRO 21 11.688 1.529 13.737 165 HG3 PRO 21 2HG PRO 21 11.080 3.188 13.603 166 HD2 PRO 21 1HD PRO 21 11.608 1.186 11.441 167 HD3 PRO 21 2HD PRO 21 10.259 2.330 11.614 168 H ALA 22 H ALA 22 15.706 3.915 12.410 169 HA ALA 22 HA ALA 22 16.945 2.766 10.076 170 HB1 ALA 22 3HB ALA 22 17.969 4.680 11.208 171 HB2 ALA 22 1HB ALA 22 19.055 3.290 11.190 172 HB3 ALA 22 2HB ALA 22 18.182 3.707 12.664 173 H ASN 23 H ASN 23 18.539 1.026 10.248 174 HA ASN 23 HA ASN 23 19.305 -1.020 10.844 175 HB2 ASN 23 1HB ASN 23 17.861 -0.492 13.440 176 HB3 ASN 23 2HB ASN 23 18.774 -1.964 13.123 177 HD21 ASN 23 2HD2 ASN 23 19.238 0.053 15.146 178 HD22 ASN 23 1HD2 ASN 23 20.832 0.669 14.860 179 H SER 24 H SER 24 15.894 -0.399 11.379 180 HA SER 24 HA SER 24 15.105 -3.090 10.803 181 HB2 SER 24 1HB SER 24 12.807 -1.939 10.529 182 HB3 SER 24 2HB SER 24 13.552 -1.916 12.125 183 HG SER 24 HG SER 24 13.975 0.197 10.303 184 H MET 25 H MET 25 15.755 -3.805 8.891 185 HA MET 25 HA MET 25 15.492 -2.075 6.532 186 HB2 MET 25 1HB MET 25 17.722 -2.907 6.971 187 HB3 MET 25 2HB MET 25 17.129 -4.558 7.053 188 HG2 MET 25 1HG MET 25 16.479 -4.392 4.665 189 HG3 MET 25 2HG MET 25 17.222 -2.792 4.617 190 HE1 MET 25 3HE MET 25 17.827 -6.633 5.132 191 HE2 MET 25 1HE MET 25 18.476 -5.941 6.618 192 HE3 MET 25 2HE MET 25 19.563 -6.686 5.446 193 H ILE 26 H ILE 26 13.953 -2.493 5.076 194 HA ILE 26 HA ILE 26 12.293 -4.845 5.447 195 HB ILE 26 HB ILE 26 11.965 -2.752 3.298 196 HG12 ILE 26 1HG1 ILE 26 10.849 -2.706 6.115 197 HG13 ILE 26 2HG1 ILE 26 12.091 -1.627 5.490 198 HG21 ILE 26 1HG2 ILE 26 10.016 -4.612 4.656 199 HG22 ILE 26 2HG2 ILE 26 10.661 -4.788 3.024 200 HG23 ILE 26 3HG2 ILE 26 9.608 -3.428 3.415 201 HD11 ILE 26 3HD1 ILE 26 10.493 -0.695 3.908 202 HD12 ILE 26 1HD1 ILE 26 9.914 -0.545 5.566 203 HD13 ILE 26 2HD1 ILE 26 9.250 -1.791 4.508 204 H MET 27 H MET 27 13.381 -6.629 4.707 205 HA MET 27 HA MET 27 14.855 -6.519 2.234 206 HB2 MET 27 1HB MET 27 15.550 -7.948 4.166 207 HB3 MET 27 2HB MET 27 14.142 -8.959 3.870 208 HG2 MET 27 1HG MET 27 14.976 -9.684 1.785 209 HG3 MET 27 2HG MET 27 16.228 -8.444 1.772 210 HE1 MET 27 3HE MET 27 15.124 -10.753 4.772 211 HE2 MET 27 1HE MET 27 16.252 -12.098 4.598 212 HE3 MET 27 2HE MET 27 15.015 -11.820 3.373 213 H THR 28 H THR 28 11.654 -7.278 3.221 214 HA THR 28 HA THR 28 10.881 -8.616 0.810 215 HB THR 28 HB THR 28 9.099 -7.092 2.723 216 HG1 THR 28 HG1 THR 28 9.233 -9.842 2.989 217 HG21 THR 28 3HG2 THR 28 7.371 -8.645 1.943 218 HG22 THR 28 1HG2 THR 28 8.538 -9.402 0.858 219 HG23 THR 28 2HG2 THR 28 8.050 -7.728 0.598 220 H LYS 29 H LYS 29 11.131 -7.548 -1.066 221 HA LYS 29 HA LYS 29 11.423 -4.807 -1.377 222 HB2 LYS 29 1HB LYS 29 10.474 -6.824 -3.421 223 HB3 LYS 29 2HB LYS 29 11.038 -5.199 -3.790 224 HG2 LYS 29 1HG LYS 29 13.228 -5.775 -2.810 225 HG3 LYS 29 2HG LYS 29 12.650 -7.425 -2.568 226 HD2 LYS 29 1HD LYS 29 12.289 -7.642 -4.985 227 HD3 LYS 29 2HD LYS 29 12.883 -5.997 -5.216 228 HE2 LYS 29 1HE LYS 29 14.446 -8.320 -4.096 229 HE3 LYS 29 2HE LYS 29 14.623 -7.626 -5.707 230 HZ1 LYS 29 3HZ LYS 29 16.326 -6.838 -4.171 231 HZ2 LYS 29 1HZ LYS 29 15.135 -6.184 -3.156 232 HZ3 LYS 29 2HZ LYS 29 15.352 -5.559 -4.718 233 H LEU 30 H LEU 30 10.093 -3.129 -1.659 234 HA LEU 30 HA LEU 30 7.373 -3.449 -0.860 235 HB2 LEU 30 1HB LEU 30 8.960 -1.064 -1.793 236 HB3 LEU 30 2HB LEU 30 7.264 -0.957 -1.373 237 HG LEU 30 HG LEU 30 8.487 -0.194 0.508 238 HD11 LEU 30 1HD1 LEU 30 7.627 -3.031 1.026 239 HD12 LEU 30 2HD1 LEU 30 6.595 -1.601 1.055 240 HD13 LEU 30 3HD1 LEU 30 7.878 -1.787 2.251 241 HD21 LEU 30 3HD2 LEU 30 10.103 -2.734 0.365 242 HD22 LEU 30 1HD2 LEU 30 10.231 -1.492 1.613 243 HD23 LEU 30 2HD2 LEU 30 10.666 -1.115 -0.054 244 HA PRO 31 HA PRO 31 6.001 -3.949 -5.087 245 HB2 PRO 31 1HB PRO 31 3.718 -5.199 -4.531 246 HB3 PRO 31 2HB PRO 31 5.271 -6.003 -4.277 247 HG2 PRO 31 1HG PRO 31 3.427 -4.773 -2.286 248 HG3 PRO 31 2HG PRO 31 4.437 -6.220 -2.137 249 HD2 PRO 31 1HD PRO 31 5.053 -3.653 -1.178 250 HD3 PRO 31 2HD PRO 31 6.183 -5.012 -1.339 251 H SER 32 H SER 32 3.365 -3.831 -5.760 252 HA SER 32 HA SER 32 2.480 -1.176 -4.860 253 HB2 SER 32 1HB SER 32 1.424 -1.044 -7.194 254 HB3 SER 32 2HB SER 32 3.181 -0.901 -7.113 255 HG SER 32 HG SER 32 3.167 -2.491 -8.486 256 H VAL 33 H VAL 33 0.311 -0.934 -4.396 257 HA VAL 33 HA VAL 33 -1.169 -3.436 -4.104 258 HB VAL 33 HB VAL 33 -2.694 -2.216 -2.654 259 HG11 VAL 33 1HG1 VAL 33 -0.686 -3.129 -1.641 260 HG12 VAL 33 2HG1 VAL 33 -1.151 -1.626 -0.842 261 HG13 VAL 33 3HG1 VAL 33 0.189 -1.638 -1.990 262 HG21 VAL 33 3HG2 VAL 33 -1.038 0.224 -3.293 263 HG22 VAL 33 1HG2 VAL 33 -2.309 0.140 -2.074 264 HG23 VAL 33 2HG2 VAL 33 -2.708 -0.062 -3.780 265 H ARG 34 H ARG 34 -3.152 -3.791 -5.027 266 HA ARG 34 HA ARG 34 -3.904 -1.883 -7.131 267 HB2 ARG 34 1HB ARG 34 -3.153 -3.979 -8.085 268 HB3 ARG 34 2HB ARG 34 -4.237 -4.885 -7.039 269 HG2 ARG 34 1HG ARG 34 -6.048 -4.471 -8.319 270 HG3 ARG 34 2HG ARG 34 -5.484 -2.867 -8.795 271 HD2 ARG 34 1HD ARG 34 -4.242 -5.422 -9.796 272 HD3 ARG 34 2HD ARG 34 -5.554 -4.592 -10.634 273 HE ARG 34 HE ARG 34 -3.414 -2.809 -10.093 274 HH11 ARG 34 1HH1 ARG 34 -4.289 -5.461 -12.219 275 HH12 ARG 34 2HH1 ARG 34 -3.317 -4.872 -13.537 276 HH21 ARG 34 1HH2 ARG 34 -2.142 -2.055 -11.826 277 HH22 ARG 34 2HH2 ARG 34 -2.096 -2.962 -13.313 278 H VAL 35 H VAL 35 -5.314 -0.658 -6.052 279 HA VAL 35 HA VAL 35 -7.410 -1.955 -4.469 280 HB VAL 35 HB VAL 35 -7.851 0.239 -3.502 281 HG11 VAL 35 1HG1 VAL 35 -4.897 -0.363 -3.491 282 HG12 VAL 35 2HG1 VAL 35 -6.108 -1.198 -2.520 283 HG13 VAL 35 3HG1 VAL 35 -5.798 0.518 -2.256 284 HG21 VAL 35 3HG2 VAL 35 -6.435 2.171 -4.025 285 HG22 VAL 35 1HG2 VAL 35 -7.347 1.637 -5.436 286 HG23 VAL 35 2HG2 VAL 35 -5.635 1.241 -5.292 287 H LYS 36 H LYS 36 -9.612 -0.985 -4.604 288 HA LYS 36 HA LYS 36 -10.204 -0.136 -7.353 289 HB2 LYS 36 1HB LYS 36 -10.805 -2.497 -6.997 290 HB3 LYS 36 2HB LYS 36 -11.758 -2.051 -5.595 291 HG2 LYS 36 1HG LYS 36 -13.384 -0.972 -6.928 292 HG3 LYS 36 2HG LYS 36 -12.355 -1.054 -8.363 293 HD2 LYS 36 1HD LYS 36 -12.696 -3.328 -8.639 294 HD3 LYS 36 2HD LYS 36 -13.140 -3.570 -6.949 295 HE2 LYS 36 1HE LYS 36 -14.813 -2.088 -8.971 296 HE3 LYS 36 2HE LYS 36 -15.051 -3.775 -8.516 297 HZ1 LYS 36 3HZ LYS 36 -15.218 -1.441 -6.685 298 HZ2 LYS 36 1HZ LYS 36 -15.439 -3.061 -6.234 299 HZ3 LYS 36 2HZ LYS 36 -16.532 -2.313 -7.294 300 H THR 37 H THR 37 -11.230 1.761 -7.413 301 HA THR 37 HA THR 37 -12.355 2.760 -4.881 302 HB THR 37 HB THR 37 -11.883 5.055 -5.816 303 HG1 THR 37 HG1 THR 37 -10.669 3.456 -7.810 304 HG21 THR 37 3HG2 THR 37 -9.509 3.239 -5.383 305 HG22 THR 37 1HG2 THR 37 -10.446 4.042 -4.122 306 HG23 THR 37 2HG2 THR 37 -9.496 4.998 -5.259 307 H GLU 38 H GLU 38 -13.932 4.674 -5.366 308 HA GLU 38 HA GLU 38 -15.705 3.873 -7.579 309 HB2 GLU 38 1HB GLU 38 -16.486 3.254 -5.233 310 HB3 GLU 38 2HB GLU 38 -16.639 4.978 -4.927 311 HG2 GLU 38 1HG GLU 38 -18.208 5.108 -6.854 312 HG3 GLU 38 2HG GLU 38 -18.133 3.349 -6.964 313 H GLY 39 H GLY 39 -15.855 5.433 -9.036 314 HA2 GLY 39 1HA GLY 39 -16.752 7.817 -9.196 315 HA3 GLY 39 2HA GLY 39 -15.384 8.215 -8.167 316 H TYR 40 H TYR 40 -14.149 9.431 -9.487 317 HA TYR 40 HA TYR 40 -12.904 8.086 -11.753 318 HB2 TYR 40 1HB TYR 40 -14.292 10.767 -11.936 319 HB3 TYR 40 2HB TYR 40 -13.093 10.226 -13.105 320 HD1 TYR 40 HD2 TYR 40 -13.570 8.131 -14.439 321 HD2 TYR 40 HD1 TYR 40 -16.546 10.092 -12.114 322 HE1 TYR 40 HE2 TYR 40 -15.322 6.972 -15.717 323 HE2 TYR 40 HE1 TYR 40 -18.306 8.936 -13.384 324 HH TYR 40 HH TYR 40 -18.572 7.877 -15.613 325 H ASN 41 H ASN 41 -10.882 9.108 -12.387 326 HA ASN 41 HA ASN 41 -9.728 10.730 -10.205 327 HB2 ASN 41 1HB ASN 41 -8.202 8.937 -12.106 328 HB3 ASN 41 2HB ASN 41 -7.587 9.731 -10.663 329 HD21 ASN 41 2HD2 ASN 41 -7.913 8.807 -8.686 330 HD22 ASN 41 1HD2 ASN 41 -8.612 7.241 -8.474 331 HA PRO 42 HA PRO 42 -9.582 13.277 -14.019 332 HB2 PRO 42 1HB PRO 42 -10.602 15.516 -12.579 333 HB3 PRO 42 2HB PRO 42 -11.447 14.515 -13.759 334 HG2 PRO 42 1HG PRO 42 -12.051 14.640 -11.060 335 HG3 PRO 42 2HG PRO 42 -12.512 13.319 -12.146 336 HD2 PRO 42 1HD PRO 42 -10.242 13.477 -10.205 337 HD3 PRO 42 2HD PRO 42 -11.288 12.097 -10.611 338 H SER 43 H SER 43 -9.202 15.176 -11.036 339 HA SER 43 HA SER 43 -6.762 16.339 -12.111 340 HB2 SER 43 1HB SER 43 -7.080 17.804 -9.981 341 HB3 SER 43 2HB SER 43 -8.203 18.006 -11.328 342 HG SER 43 HG SER 43 -9.763 17.341 -10.100 343 H ILE 44 H ILE 44 -7.689 13.891 -9.990 344 HA ILE 44 HA ILE 44 -5.448 14.201 -8.184 345 HB ILE 44 HB ILE 44 -7.512 11.996 -8.305 346 HG12 ILE 44 1HG1 ILE 44 -7.352 14.456 -6.544 347 HG13 ILE 44 2HG1 ILE 44 -8.497 14.214 -7.858 348 HG21 ILE 44 1HG2 ILE 44 -5.454 11.315 -7.187 349 HG22 ILE 44 2HG2 ILE 44 -6.769 11.491 -6.025 350 HG23 ILE 44 3HG2 ILE 44 -5.532 12.741 -6.153 351 HD11 ILE 44 3HD1 ILE 44 -9.480 12.333 -6.647 352 HD12 ILE 44 1HD1 ILE 44 -9.538 13.824 -5.707 353 HD13 ILE 44 2HD1 ILE 44 -8.336 12.592 -5.328 354 H ASN 45 H ASN 45 -3.536 13.448 -8.611 355 HA ASN 45 HA ASN 45 -3.099 11.673 -10.863 356 HB2 ASN 45 1HB ASN 45 -1.667 13.594 -10.689 357 HB3 ASN 45 2HB ASN 45 -1.248 13.204 -9.028 358 HD21 ASN 45 2HD2 ASN 45 0.924 13.244 -9.479 359 HD22 ASN 45 1HD2 ASN 45 1.720 11.990 -10.375 360 H VAL 46 H VAL 46 -2.677 9.570 -10.753 361 HA VAL 46 HA VAL 46 -2.905 8.198 -8.258 362 HB VAL 46 HB VAL 46 -2.605 6.146 -9.524 363 HG11 VAL 46 1HG1 VAL 46 -4.463 6.398 -11.112 364 HG12 VAL 46 2HG1 VAL 46 -4.336 8.151 -10.960 365 HG13 VAL 46 3HG1 VAL 46 -4.795 7.176 -9.564 366 HG21 VAL 46 3HG2 VAL 46 -2.171 6.183 -11.940 367 HG22 VAL 46 1HG2 VAL 46 -0.817 6.842 -11.021 368 HG23 VAL 46 2HG2 VAL 46 -1.922 7.927 -11.862 369 H ASN 47 H ASN 47 -0.266 9.510 -9.993 370 HA ASN 47 HA ASN 47 1.680 7.829 -8.620 371 HB2 ASN 47 1HB ASN 47 2.034 10.117 -10.569 372 HB3 ASN 47 2HB ASN 47 3.364 9.220 -9.844 373 HD21 ASN 47 2HD2 ASN 47 2.645 9.491 -12.643 374 HD22 ASN 47 1HD2 ASN 47 2.386 7.882 -13.230 375 H GLU 48 H GLU 48 -0.180 10.365 -7.808 376 HA GLU 48 HA GLU 48 1.848 11.591 -6.076 377 HB2 GLU 48 1HB GLU 48 0.427 13.083 -7.498 378 HB3 GLU 48 2HB GLU 48 -0.983 12.511 -6.618 379 HG2 GLU 48 1HG GLU 48 -0.116 13.443 -4.561 380 HG3 GLU 48 2HG GLU 48 1.355 13.952 -5.390 381 H LEU 49 H LEU 49 -1.072 9.704 -6.138 382 HA LEU 49 HA LEU 49 -1.386 9.648 -3.267 383 HB2 LEU 49 1HB LEU 49 -2.596 7.886 -5.402 384 HB3 LEU 49 2HB LEU 49 -3.085 7.934 -3.720 385 HG LEU 49 HG LEU 49 -3.338 10.241 -5.651 386 HD11 LEU 49 1HD1 LEU 49 -5.428 8.333 -4.603 387 HD12 LEU 49 2HD1 LEU 49 -4.803 8.379 -6.252 388 HD13 LEU 49 3HD1 LEU 49 -5.726 9.743 -5.621 389 HD21 LEU 49 3HD2 LEU 49 -4.395 9.857 -2.849 390 HD22 LEU 49 1HD2 LEU 49 -4.727 11.233 -3.901 391 HD23 LEU 49 2HD2 LEU 49 -3.087 10.940 -3.324 392 H PHE 50 H PHE 50 -0.566 8.130 -1.882 393 HA PHE 50 HA PHE 50 0.886 5.882 -3.107 394 HB2 PHE 50 1HB PHE 50 1.795 7.611 -0.801 395 HB3 PHE 50 2HB PHE 50 2.569 6.102 -1.267 396 HD1 PHE 50 HD1 PHE 50 3.494 5.932 -3.643 397 HD2 PHE 50 HD2 PHE 50 2.418 9.615 -1.799 398 HE1 PHE 50 HE1 PHE 50 4.912 7.145 -5.246 399 HE2 PHE 50 HE2 PHE 50 3.830 10.834 -3.403 400 HZ PHE 50 HZ PHE 50 5.081 9.599 -5.128 401 H ALA 51 H ALA 51 1.095 4.005 -1.857 402 HA ALA 51 HA ALA 51 -0.752 3.765 0.424 403 HB1 ALA 51 3HB ALA 51 -0.663 1.343 0.031 404 HB2 ALA 51 1HB ALA 51 0.435 1.603 -1.325 405 HB3 ALA 51 2HB ALA 51 -1.222 2.201 -1.406 406 H TYR 52 H TYR 52 0.104 3.026 2.396 407 HA TYR 52 HA TYR 52 3.026 2.815 2.454 408 HB2 TYR 52 1HB TYR 52 3.085 4.408 4.383 409 HB3 TYR 52 2HB TYR 52 2.665 5.146 2.842 410 HD1 TYR 52 HD2 TYR 52 0.348 5.886 2.424 411 HD2 TYR 52 HD1 TYR 52 1.540 4.363 6.211 412 HE1 TYR 52 HE2 TYR 52 -1.663 6.859 3.443 413 HE2 TYR 52 HE1 TYR 52 -0.469 5.335 7.240 414 HH TYR 52 HH TYR 52 -3.091 6.448 5.458 415 H VAL 53 H VAL 53 3.912 1.768 4.183 416 HA VAL 53 HA VAL 53 2.019 0.584 6.098 417 HB VAL 53 HB VAL 53 3.923 -1.044 6.592 418 HG11 VAL 53 1HG1 VAL 53 1.928 -1.689 5.341 419 HG12 VAL 53 2HG1 VAL 53 3.362 -2.497 4.705 420 HG13 VAL 53 3HG1 VAL 53 2.673 -1.119 3.848 421 HG21 VAL 53 3HG2 VAL 53 5.737 0.196 5.529 422 HG22 VAL 53 1HG2 VAL 53 4.948 0.026 3.960 423 HG23 VAL 53 2HG2 VAL 53 5.563 -1.399 4.798 424 H ASP 54 H ASP 54 2.070 1.453 8.033 425 HA ASP 54 HA ASP 54 4.189 3.344 8.636 426 HB2 ASP 54 1HB ASP 54 1.776 3.957 8.929 427 HB3 ASP 54 2HB ASP 54 1.679 2.766 10.222 428 H LEU 55 H LEU 55 5.943 2.286 9.317 429 HA LEU 55 HA LEU 55 5.678 0.041 11.121 430 HB2 LEU 55 1HB LEU 55 8.173 1.358 10.047 431 HB3 LEU 55 2HB LEU 55 8.102 -0.169 10.909 432 HG LEU 55 HG LEU 55 6.985 0.412 8.167 433 HD11 LEU 55 1HD1 LEU 55 9.386 0.093 8.203 434 HD12 LEU 55 2HD1 LEU 55 8.592 -1.289 7.449 435 HD13 LEU 55 3HD1 LEU 55 9.193 -1.412 9.102 436 HD21 LEU 55 3HD2 LEU 55 6.334 -1.944 8.106 437 HD22 LEU 55 1HD2 LEU 55 5.472 -1.067 9.371 438 HD23 LEU 55 2HD2 LEU 55 6.821 -2.122 9.791 439 H SER 56 H SER 56 4.594 1.625 12.626 440 HA SER 56 HA SER 56 6.255 3.376 14.158 441 HB2 SER 56 1HB SER 56 4.028 2.722 15.711 442 HB3 SER 56 2HB SER 56 4.177 4.100 14.618 443 HG SER 56 HG SER 56 3.035 3.083 13.116 444 H GLY 57 H GLY 57 5.585 0.021 14.144 445 HA2 GLY 57 1HA GLY 57 6.811 -0.343 16.783 446 HA3 GLY 57 2HA GLY 57 5.984 -1.585 15.850 447 H SER 58 H SER 58 8.735 -1.388 17.065 448 HA SER 58 HA SER 58 10.438 -1.565 14.706 449 HB2 SER 58 1HB SER 58 11.157 -1.820 17.639 450 HB3 SER 58 2HB SER 58 12.283 -1.628 16.296 451 HG SER 58 HG SER 58 10.492 0.353 16.193 452 H GLU 59 H GLU 59 8.447 -3.535 14.931 453 HA GLU 59 HA GLU 59 9.300 -5.910 16.215 454 HB2 GLU 59 1HB GLU 59 7.421 -5.564 13.869 455 HB3 GLU 59 2HB GLU 59 7.574 -7.014 14.850 456 HG2 GLU 59 1HG GLU 59 6.758 -4.353 15.974 457 HG3 GLU 59 2HG GLU 59 5.608 -5.535 15.350 458 HA PRO 60 HA PRO 60 12.281 -6.879 12.983 459 HB2 PRO 60 1HB PRO 60 13.708 -8.542 14.760 460 HB3 PRO 60 2HB PRO 60 14.069 -6.860 14.373 461 HG2 PRO 60 1HG PRO 60 13.219 -7.849 16.857 462 HG3 PRO 60 2HG PRO 60 13.274 -6.148 16.367 463 HD2 PRO 60 1HD PRO 60 10.962 -8.027 16.449 464 HD3 PRO 60 2HD PRO 60 11.008 -6.273 16.734 465 H GLY 61 H GLY 61 12.394 -8.582 11.600 466 HA2 GLY 61 1HA GLY 61 12.489 -10.972 11.216 467 HA3 GLY 61 2HA GLY 61 11.331 -11.175 12.523 468 H GLU 62 H GLU 62 10.322 -12.492 10.760 469 HA GLU 62 HA GLU 62 8.993 -10.998 8.670 470 HB2 GLU 62 1HB GLU 62 8.641 -13.889 9.495 471 HB3 GLU 62 2HB GLU 62 8.045 -13.152 8.013 472 HG2 GLU 62 1HG GLU 62 10.373 -12.681 7.352 473 HG3 GLU 62 2HG GLU 62 10.924 -13.527 8.795 474 H HIS 63 H HIS 63 7.511 -9.616 9.484 475 HA HIS 63 HA HIS 63 5.456 -10.736 11.282 476 HB2 HIS 63 1HB HIS 63 7.128 -9.069 12.305 477 HB3 HIS 63 2HB HIS 63 6.361 -7.851 11.296 478 HD1 HIS 63 HD1 HIS 63 6.176 -9.322 14.574 479 HD2 HIS 63 HD2 HIS 63 3.457 -7.635 11.919 480 HE1 HIS 63 HE1 HIS 63 4.148 -8.758 15.947 481 HE2 HIS 63 HE2 HIS 63 2.448 -7.927 14.281 482 H ASP 64 H ASP 64 3.329 -10.177 10.851 483 HA ASP 64 HA ASP 64 2.811 -9.236 8.166 484 HB2 ASP 64 1HB ASP 64 0.961 -10.120 10.389 485 HB3 ASP 64 2HB ASP 64 0.397 -9.592 8.809 486 H TYR 65 H TYR 65 2.540 -7.196 7.638 487 HA TYR 65 HA TYR 65 1.750 -5.315 9.753 488 HB2 TYR 65 1HB TYR 65 3.554 -4.972 7.376 489 HB3 TYR 65 2HB TYR 65 2.811 -3.584 8.168 490 HD1 TYR 65 HD2 TYR 65 3.257 -3.205 10.614 491 HD2 TYR 65 HD1 TYR 65 5.470 -6.004 8.297 492 HE1 TYR 65 HE2 TYR 65 5.028 -3.202 12.316 493 HE2 TYR 65 HE1 TYR 65 7.249 -6.012 9.997 494 HH TYR 65 HH TYR 65 8.094 -4.637 11.787 495 H GLU 66 H GLU 66 0.705 -3.302 8.841 496 HA GLU 66 HA GLU 66 -1.529 -4.251 7.199 497 HB2 GLU 66 1HB GLU 66 -2.096 -3.694 9.503 498 HB3 GLU 66 2HB GLU 66 -1.391 -2.098 9.313 499 HG2 GLU 66 1HG GLU 66 -3.110 -1.444 7.797 500 HG3 GLU 66 2HG GLU 66 -3.751 -3.087 7.739 501 H VAL 67 H VAL 67 -1.747 -3.424 5.263 502 HA VAL 67 HA VAL 67 -0.154 -1.188 4.387 503 HB VAL 67 HB VAL 67 -2.277 -2.753 2.902 504 HG11 VAL 67 1HG1 VAL 67 -1.265 -1.807 0.877 505 HG12 VAL 67 2HG1 VAL 67 -0.187 -0.834 1.878 506 HG13 VAL 67 3HG1 VAL 67 -1.927 -0.553 1.927 507 HG21 VAL 67 3HG2 VAL 67 0.727 -3.017 2.860 508 HG22 VAL 67 1HG2 VAL 67 -0.402 -3.908 1.838 509 HG23 VAL 67 2HG2 VAL 67 -0.405 -4.160 3.584 510 H LYS 68 H LYS 68 -0.751 0.815 4.804 511 HA LYS 68 HA LYS 68 -3.605 1.475 4.957 512 HB2 LYS 68 1HB LYS 68 -1.200 3.130 5.745 513 HB3 LYS 68 2HB LYS 68 -2.880 3.570 5.997 514 HG2 LYS 68 1HG LYS 68 -3.129 1.655 7.520 515 HG3 LYS 68 2HG LYS 68 -1.415 1.287 7.300 516 HD2 LYS 68 1HD LYS 68 -0.816 3.478 8.185 517 HD3 LYS 68 2HD LYS 68 -2.523 3.880 8.374 518 HE2 LYS 68 1HE LYS 68 -2.702 1.882 9.904 519 HE3 LYS 68 2HE LYS 68 -0.942 1.788 9.852 520 HZ1 LYS 68 3HZ LYS 68 -0.871 4.085 10.707 521 HZ2 LYS 68 1HZ LYS 68 -1.632 3.017 11.779 522 HZ3 LYS 68 2HZ LYS 68 -2.561 4.076 10.838 523 H VAL 69 H VAL 69 -4.435 3.230 3.759 524 HA VAL 69 HA VAL 69 -2.743 4.067 1.487 525 HB VAL 69 HB VAL 69 -5.759 3.777 1.502 526 HG11 VAL 69 1HG1 VAL 69 -4.992 5.543 0.011 527 HG12 VAL 69 2HG1 VAL 69 -5.597 4.166 -0.910 528 HG13 VAL 69 3HG1 VAL 69 -3.860 4.425 -0.750 529 HG21 VAL 69 3HG2 VAL 69 -4.686 1.597 1.562 530 HG22 VAL 69 1HG2 VAL 69 -3.663 2.045 0.198 531 HG23 VAL 69 2HG2 VAL 69 -5.406 1.888 -0.022 532 H GLU 70 H GLU 70 -2.678 6.258 1.015 533 HA GLU 70 HA GLU 70 -3.347 8.072 3.075 534 HB2 GLU 70 1HB GLU 70 -2.761 8.682 0.170 535 HB3 GLU 70 2HB GLU 70 -2.713 9.834 1.498 536 HG2 GLU 70 1HG GLU 70 -0.919 8.454 2.534 537 HG3 GLU 70 2HG GLU 70 -0.898 7.478 1.067 538 HA PRO 71 HA PRO 71 -7.735 8.320 2.464 539 HB2 PRO 71 1HB PRO 71 -7.309 10.994 3.709 540 HB3 PRO 71 2HB PRO 71 -8.448 9.716 4.149 541 HG2 PRO 71 1HG PRO 71 -6.266 10.129 5.604 542 HG3 PRO 71 2HG PRO 71 -6.830 8.481 5.269 543 HD2 PRO 71 1HD PRO 71 -4.559 9.995 4.055 544 HD3 PRO 71 2HD PRO 71 -4.677 8.271 4.464 545 H ILE 72 H ILE 72 -8.451 8.676 0.485 546 HA ILE 72 HA ILE 72 -7.485 10.944 -1.066 547 HB ILE 72 HB ILE 72 -9.325 8.710 -1.941 548 HG12 ILE 72 1HG1 ILE 72 -6.331 8.922 -2.322 549 HG13 ILE 72 2HG1 ILE 72 -7.106 7.894 -1.122 550 HG21 ILE 72 1HG2 ILE 72 -9.418 10.675 -3.369 551 HG22 ILE 72 2HG2 ILE 72 -8.608 9.349 -4.202 552 HG23 ILE 72 3HG2 ILE 72 -7.661 10.670 -3.519 553 HD11 ILE 72 3HD1 ILE 72 -7.425 7.672 -4.107 554 HD12 ILE 72 1HD1 ILE 72 -8.202 6.642 -2.905 555 HD13 ILE 72 2HD1 ILE 72 -6.447 6.623 -3.081 556 HA PRO 73 HA PRO 73 -11.321 13.130 -0.142 557 HB2 PRO 73 1HB PRO 73 -10.195 15.209 -1.863 558 HB3 PRO 73 2HB PRO 73 -10.581 15.277 -0.142 559 HG2 PRO 73 1HG PRO 73 -8.038 15.289 -1.055 560 HG3 PRO 73 2HG PRO 73 -8.492 14.548 0.492 561 HD2 PRO 73 1HD PRO 73 -7.973 13.243 -2.155 562 HD3 PRO 73 2HD PRO 73 -7.466 12.733 -0.530 563 H ASN 74 H ASN 74 -13.157 13.588 -1.308 564 HA ASN 74 HA ASN 74 -14.661 13.640 -2.999 565 HB2 ASN 74 1HB ASN 74 -12.225 13.771 -4.782 566 HB3 ASN 74 2HB ASN 74 -13.879 13.867 -5.376 567 HD21 ASN 74 2HD2 ASN 74 -11.764 15.821 -5.572 568 HD22 ASN 74 1HD2 ASN 74 -12.341 17.252 -4.792 569 H ILE 75 H ILE 75 -11.969 11.457 -3.791 570 HA ILE 75 HA ILE 75 -13.777 9.612 -5.097 571 HB ILE 75 HB ILE 75 -10.829 9.321 -4.497 572 HG12 ILE 75 1HG1 ILE 75 -12.251 10.114 -7.050 573 HG13 ILE 75 2HG1 ILE 75 -11.316 11.191 -6.018 574 HG21 ILE 75 1HG2 ILE 75 -12.623 7.701 -6.304 575 HG22 ILE 75 2HG2 ILE 75 -11.904 7.159 -4.786 576 HG23 ILE 75 3HG2 ILE 75 -10.873 7.526 -6.170 577 HD11 ILE 75 3HD1 ILE 75 -10.250 8.829 -7.544 578 HD12 ILE 75 1HD1 ILE 75 -9.304 9.891 -6.497 579 HD13 ILE 75 2HD1 ILE 75 -10.044 10.530 -7.966 580 H LYS 76 H LYS 76 -14.590 7.799 -4.295 581 HA LYS 76 HA LYS 76 -14.237 7.262 -1.455 582 HB2 LYS 76 1HB LYS 76 -16.497 7.292 -2.229 583 HB3 LYS 76 2HB LYS 76 -16.120 6.231 -3.578 584 HG2 LYS 76 1HG LYS 76 -15.643 4.426 -1.925 585 HG3 LYS 76 2HG LYS 76 -16.242 5.509 -0.663 586 HD2 LYS 76 1HD LYS 76 -18.401 5.609 -1.678 587 HD3 LYS 76 2HD LYS 76 -17.830 4.747 -3.106 588 HE2 LYS 76 1HE LYS 76 -17.377 2.779 -1.652 589 HE3 LYS 76 2HE LYS 76 -18.117 3.656 -0.312 590 HZ1 LYS 76 3HZ LYS 76 -19.464 2.942 -2.865 591 HZ2 LYS 76 1HZ LYS 76 -20.175 3.773 -1.568 592 HZ3 LYS 76 2HZ LYS 76 -19.691 2.159 -1.375 593 H ILE 77 H ILE 77 -12.848 5.728 -0.734 594 HA ILE 77 HA ILE 77 -11.696 3.895 -2.682 595 HB ILE 77 HB ILE 77 -10.208 5.030 -1.044 596 HG12 ILE 77 1HG1 ILE 77 -10.267 2.020 -0.748 597 HG13 ILE 77 2HG1 ILE 77 -9.606 2.879 -2.136 598 HG21 ILE 77 1HG2 ILE 77 -11.676 5.041 0.888 599 HG22 ILE 77 2HG2 ILE 77 -10.151 4.243 1.274 600 HG23 ILE 77 3HG2 ILE 77 -11.599 3.280 0.974 601 HD11 ILE 77 3HD1 ILE 77 -7.936 3.918 -0.698 602 HD12 ILE 77 1HD1 ILE 77 -7.854 2.157 -0.620 603 HD13 ILE 77 2HD1 ILE 77 -8.602 3.065 0.695 604 H VAL 78 H VAL 78 -12.077 1.734 -2.750 605 HA VAL 78 HA VAL 78 -14.398 0.881 -1.152 606 HB VAL 78 HB VAL 78 -13.573 -0.055 -3.896 607 HG11 VAL 78 1HG1 VAL 78 -14.832 -1.738 -2.732 608 HG12 VAL 78 2HG1 VAL 78 -15.837 -1.012 -3.988 609 HG13 VAL 78 3HG1 VAL 78 -16.074 -0.563 -2.299 610 HG21 VAL 78 3HG2 VAL 78 -15.496 1.266 -4.691 611 HG22 VAL 78 1HG2 VAL 78 -14.197 2.245 -4.010 612 HG23 VAL 78 2HG2 VAL 78 -15.661 1.943 -3.069 613 H GLU 79 H GLU 79 -11.670 -0.502 -2.957 614 HA GLU 79 HA GLU 79 -11.607 -2.702 -1.002 615 HB2 GLU 79 1HB GLU 79 -11.316 -2.872 -4.006 616 HB3 GLU 79 2HB GLU 79 -11.001 -4.203 -2.902 617 HG2 GLU 79 1HG GLU 79 -13.276 -4.320 -2.256 618 HG3 GLU 79 2HG GLU 79 -13.652 -2.803 -3.072 619 H ILE 80 H ILE 80 -9.810 -2.103 0.136 620 HA ILE 80 HA ILE 80 -7.347 -1.472 -1.225 621 HB ILE 80 HB ILE 80 -7.715 -2.290 1.665 622 HG12 ILE 80 1HG1 ILE 80 -7.634 0.493 0.470 623 HG13 ILE 80 2HG1 ILE 80 -9.084 -0.306 1.070 624 HG21 ILE 80 1HG2 ILE 80 -5.486 -0.809 0.267 625 HG22 ILE 80 2HG2 ILE 80 -5.420 -2.467 0.863 626 HG23 ILE 80 3HG2 ILE 80 -5.578 -1.127 2.000 627 HD11 ILE 80 3HD1 ILE 80 -6.671 0.427 2.712 628 HD12 ILE 80 1HD1 ILE 80 -8.131 -0.361 3.310 629 HD13 ILE 80 2HD1 ILE 80 -8.212 1.285 2.682 630 H SER 81 H SER 81 -6.107 -2.966 -2.180 631 HA SER 81 HA SER 81 -6.003 -5.651 -1.048 632 HB2 SER 81 1HB SER 81 -6.589 -5.096 -3.966 633 HB3 SER 81 2HB SER 81 -6.368 -6.689 -3.239 634 HG SER 81 HG SER 81 -8.190 -5.517 -1.788 635 HA PRO 82 HA PRO 82 -4.867 -6.792 -0.352 636 HB2 PRO 82 1HB PRO 82 -2.651 -7.574 0.906 637 HB3 PRO 82 2HB PRO 82 -3.079 -8.237 -0.677 638 HG2 PRO 82 1HG PRO 82 -1.046 -6.172 0.029 639 HG3 PRO 82 2HG PRO 82 -0.971 -7.450 -1.195 640 HD2 PRO 82 1HD PRO 82 -1.608 -4.768 -1.663 641 HD3 PRO 82 2HD PRO 82 -1.909 -6.116 -2.774 642 H ARG 83 H ARG 83 -4.357 -6.874 2.144 643 HA ARG 83 HA ARG 83 -3.915 -4.109 3.070 644 HB2 ARG 83 1HB ARG 83 -5.973 -6.106 4.011 645 HB3 ARG 83 2HB ARG 83 -5.583 -4.630 4.883 646 HG2 ARG 83 1HG ARG 83 -6.259 -3.313 2.930 647 HG3 ARG 83 2HG ARG 83 -6.687 -4.804 2.089 648 HD2 ARG 83 1HD ARG 83 -7.891 -3.913 4.700 649 HD3 ARG 83 2HD ARG 83 -8.618 -3.624 3.122 650 HE ARG 83 HE ARG 83 -8.673 -6.110 2.893 651 HH11 ARG 83 1HH1 ARG 83 -8.489 -4.664 6.078 652 HH12 ARG 83 2HH1 ARG 83 -9.388 -5.935 6.848 653 HH21 ARG 83 1HH2 ARG 83 -9.893 -7.773 3.904 654 HH22 ARG 83 2HH2 ARG 83 -10.177 -7.694 5.623 655 H VAL 84 H VAL 84 -3.622 -7.542 3.762 656 HA VAL 84 HA VAL 84 -1.774 -6.863 5.959 657 HB VAL 84 HB VAL 84 -3.233 -9.475 5.495 658 HG11 VAL 84 1HG1 VAL 84 -2.418 -10.083 7.724 659 HG12 VAL 84 2HG1 VAL 84 -1.515 -8.570 7.803 660 HG13 VAL 84 3HG1 VAL 84 -1.087 -9.789 6.603 661 HG21 VAL 84 3HG2 VAL 84 -4.775 -7.714 6.169 662 HG22 VAL 84 1HG2 VAL 84 -3.737 -7.310 7.537 663 HG23 VAL 84 2HG2 VAL 84 -4.549 -8.875 7.477 664 H VAL 85 H VAL 85 0.301 -7.067 5.446 665 HA VAL 85 HA VAL 85 1.065 -9.199 3.565 666 HB VAL 85 HB VAL 85 2.883 -7.709 2.708 667 HG11 VAL 85 1HG1 VAL 85 1.440 -6.414 1.210 668 HG12 VAL 85 2HG1 VAL 85 0.062 -6.735 2.264 669 HG13 VAL 85 3HG1 VAL 85 0.853 -8.065 1.416 670 HG21 VAL 85 3HG2 VAL 85 2.977 -6.110 4.535 671 HG22 VAL 85 1HG2 VAL 85 1.341 -5.562 4.166 672 HG23 VAL 85 2HG2 VAL 85 2.646 -5.281 3.013 673 H THR 86 H THR 86 2.750 -10.426 4.164 674 HA THR 86 HA THR 86 3.867 -10.034 6.789 675 HB THR 86 HB THR 86 4.807 -12.088 4.793 676 HG1 THR 86 HG1 THR 86 2.442 -12.083 6.402 677 HG21 THR 86 3HG2 THR 86 6.064 -11.879 6.889 678 HG22 THR 86 1HG2 THR 86 5.207 -13.419 6.810 679 HG23 THR 86 2HG2 THR 86 4.575 -12.108 7.807 680 H LEU 87 H LEU 87 5.241 -8.334 6.878 681 HA LEU 87 HA LEU 87 7.269 -8.042 4.788 682 HB2 LEU 87 1HB LEU 87 6.474 -6.209 7.054 683 HB3 LEU 87 2HB LEU 87 7.781 -5.880 5.935 684 HG LEU 87 HG LEU 87 4.854 -6.104 5.225 685 HD11 LEU 87 1HD1 LEU 87 5.035 -3.724 4.731 686 HD12 LEU 87 2HD1 LEU 87 6.717 -3.731 5.259 687 HD13 LEU 87 3HD1 LEU 87 5.426 -4.049 6.419 688 HD21 LEU 87 3HD2 LEU 87 6.278 -6.952 3.428 689 HD22 LEU 87 1HD2 LEU 87 7.234 -5.472 3.481 690 HD23 LEU 87 2HD2 LEU 87 5.543 -5.411 2.984 691 H GLN 88 H GLN 88 9.201 -8.868 5.081 692 HA GLN 88 HA GLN 88 9.987 -9.761 7.723 693 HB2 GLN 88 1HB GLN 88 10.374 -11.281 5.878 694 HB3 GLN 88 2HB GLN 88 11.305 -10.060 5.021 695 HG2 GLN 88 1HG GLN 88 13.063 -10.172 6.632 696 HG3 GLN 88 2HG GLN 88 12.105 -11.218 7.680 697 HE21 GLN 88 2HE2 GLN 88 13.722 -12.784 7.649 698 HE22 GLN 88 1HE2 GLN 88 13.985 -13.798 6.266 699 H LEU 89 H LEU 89 10.493 -8.010 8.921 700 HA LEU 89 HA LEU 89 12.330 -6.024 7.915 701 HB2 LEU 89 1HB LEU 89 11.032 -6.442 10.593 702 HB3 LEU 89 2HB LEU 89 12.276 -5.231 10.338 703 HG LEU 89 HG LEU 89 9.583 -5.354 9.002 704 HD11 LEU 89 1HD1 LEU 89 9.540 -4.528 11.285 705 HD12 LEU 89 2HD1 LEU 89 9.237 -3.217 10.143 706 HD13 LEU 89 3HD1 LEU 89 10.820 -3.379 10.903 707 HD21 LEU 89 3HD2 LEU 89 11.837 -3.400 8.578 708 HD22 LEU 89 1HD2 LEU 89 10.219 -3.278 7.887 709 HD23 LEU 89 2HD2 LEU 89 11.281 -4.606 7.418 710 H GLU 90 H GLU 90 14.323 -6.471 7.709 711 HA GLU 90 HA GLU 90 15.527 -8.499 9.444 712 HB2 GLU 90 1HB GLU 90 15.717 -7.936 6.635 713 HB3 GLU 90 2HB GLU 90 17.312 -7.836 7.369 714 HG2 GLU 90 1HG GLU 90 15.415 -10.165 7.450 715 HG3 GLU 90 2HG GLU 90 16.966 -10.070 6.614 716 H HIS 91 H HIS 91 18.026 -8.104 9.577 717 HA HIS 91 HA HIS 91 18.227 -5.585 11.043 718 HB2 HIS 91 1HB HIS 91 20.317 -7.757 10.933 719 HB3 HIS 91 2HB HIS 91 20.059 -6.556 12.193 720 HD1 HIS 91 HD1 HIS 91 19.779 -9.992 11.831 721 HD2 HIS 91 HD2 HIS 91 17.130 -7.099 13.221 722 HE1 HIS 91 HE1 HIS 91 18.107 -11.225 13.238 723 HE2 HIS 91 HE2 HIS 91 16.409 -9.493 13.915 724 H HIS 92 H HIS 92 18.867 -3.894 9.818 725 HA HIS 92 HA HIS 92 20.628 -4.206 7.571 726 HB2 HIS 92 1HB HIS 92 18.886 -2.323 7.985 727 HB3 HIS 92 2HB HIS 92 20.143 -1.583 8.971 728 HD1 HIS 92 HD1 HIS 92 22.569 -1.418 7.525 729 HD2 HIS 92 HD2 HIS 92 18.984 -1.478 5.427 730 HE1 HIS 92 HE1 HIS 92 23.102 -0.488 5.250 731 HE2 HIS 92 HE2 HIS 92 20.964 -0.733 3.935 732 H HIS 93 H HIS 93 20.988 -3.916 10.925 733 HA HIS 93 HA HIS 93 23.890 -3.605 10.608 734 HB2 HIS 93 1HB HIS 93 22.035 -2.628 12.622 735 HB3 HIS 93 2HB HIS 93 23.331 -3.576 13.345 736 HD1 HIS 93 HD1 HIS 93 22.569 -0.239 12.268 737 HD2 HIS 93 HD2 HIS 93 25.986 -2.603 12.398 738 HE1 HIS 93 HE1 HIS 93 24.504 1.356 12.087 739 HE2 HIS 93 HE2 HIS 93 26.534 -0.126 11.897 740 H HIS 94 H HIS 94 24.596 -5.570 10.182 741 HA HIS 94 HA HIS 94 25.242 -7.706 10.481 742 HB2 HIS 94 1HB HIS 94 24.245 -7.126 13.229 743 HB3 HIS 94 2HB HIS 94 24.542 -8.803 12.781 744 HD1 HIS 94 HD1 HIS 94 26.942 -9.571 12.618 745 HD2 HIS 94 HD2 HIS 94 26.567 -5.480 13.260 746 HE1 HIS 94 HE1 HIS 94 29.261 -8.753 13.149 747 HE2 HIS 94 HE2 HIS 94 29.037 -6.245 13.318 748 H HIS 95 H HIS 95 23.888 -8.321 8.806 749 HA HIS 95 HA HIS 95 21.314 -9.486 9.397 750 HB2 HIS 95 1HB HIS 95 21.740 -8.564 7.173 751 HB3 HIS 95 2HB HIS 95 23.093 -9.663 6.947 752 HD1 HIS 95 HD1 HIS 95 19.406 -10.189 7.853 753 HD2 HIS 95 HD2 HIS 95 22.349 -11.621 5.279 754 HE1 HIS 95 HE1 HIS 95 18.308 -11.997 6.493 755 HE2 HIS 95 HE2 HIS 95 20.056 -12.730 4.835 756 H HIS 96 H HIS 96 24.536 -10.320 9.737 757 HA HIS 96 HA HIS 96 23.768 -13.005 10.608 758 HB2 HIS 96 1HB HIS 96 26.262 -12.331 9.021 759 HB3 HIS 96 2HB HIS 96 25.973 -13.872 9.819 760 HD1 HIS 96 HD1 HIS 96 25.722 -12.339 6.623 761 HD2 HIS 96 HD2 HIS 96 23.410 -15.075 8.741 762 HE1 HIS 96 HE1 HIS 96 24.304 -13.508 4.904 763 HE2 HIS 96 HE2 HIS 96 22.741 -14.967 6.243 Start of MODEL 20 1 H1 SER 1 1H SER 1 -8.293 8.136 -17.129 2 H2 SER 1 2H SER 1 -8.273 7.245 -18.575 3 H3 SER 1 3H SER 1 -9.713 7.410 -17.699 4 HA SER 1 HA SER 1 -8.247 9.609 -19.025 5 HB2 SER 1 1HB SER 1 -9.386 7.997 -20.567 6 HB3 SER 1 2HB SER 1 -10.902 8.313 -19.726 7 HG SER 1 HG SER 1 -10.118 9.575 -21.780 8 H SER 2 H SER 2 -9.906 11.495 -19.257 9 HA SER 2 HA SER 2 -10.599 12.486 -16.754 10 HB2 SER 2 1HB SER 2 -11.866 13.242 -19.400 11 HB3 SER 2 2HB SER 2 -11.738 14.253 -17.959 12 HG SER 2 HG SER 2 -10.111 14.612 -19.656 13 H GLN 3 H GLN 3 -12.798 11.285 -19.287 14 HA GLN 3 HA GLN 3 -14.452 10.139 -17.143 15 HB2 GLN 3 1HB GLN 3 -15.422 11.340 -19.748 16 HB3 GLN 3 2HB GLN 3 -16.436 10.468 -18.604 17 HG2 GLN 3 1HG GLN 3 -15.864 12.165 -16.887 18 HG3 GLN 3 2HG GLN 3 -14.994 13.066 -18.127 19 HE21 GLN 3 2HE2 GLN 3 -17.291 13.818 -16.506 20 HE22 GLN 3 1HE2 GLN 3 -18.548 14.244 -17.626 21 H THR 4 H THR 4 -13.872 8.086 -17.194 22 HA THR 4 HA THR 4 -13.150 6.830 -19.730 23 HB THR 4 HB THR 4 -12.856 5.619 -16.980 24 HG1 THR 4 HG1 THR 4 -11.590 7.304 -16.627 25 HG21 THR 4 3HG2 THR 4 -11.303 5.267 -19.549 26 HG22 THR 4 1HG2 THR 4 -12.477 4.130 -18.885 27 HG23 THR 4 2HG2 THR 4 -10.970 4.444 -18.024 28 H LEU 5 H LEU 5 -14.023 4.787 -20.360 29 HA LEU 5 HA LEU 5 -16.735 4.278 -19.729 30 HB2 LEU 5 1HB LEU 5 -15.617 3.563 -21.830 31 HB3 LEU 5 2HB LEU 5 -14.696 2.386 -20.913 32 HG LEU 5 HG LEU 5 -16.763 1.200 -20.333 33 HD11 LEU 5 1HD1 LEU 5 -18.110 3.267 -22.068 34 HD12 LEU 5 2HD1 LEU 5 -18.300 3.082 -20.324 35 HD13 LEU 5 3HD1 LEU 5 -18.874 1.819 -21.412 36 HD21 LEU 5 3HD2 LEU 5 -15.546 0.550 -22.340 37 HD22 LEU 5 1HD2 LEU 5 -16.455 1.728 -23.287 38 HD23 LEU 5 2HD2 LEU 5 -17.283 0.347 -22.568 39 H ASP 6 H ASP 6 -13.690 3.027 -18.517 40 HA ASP 6 HA ASP 6 -14.894 1.266 -16.600 41 HB2 ASP 6 1HB ASP 6 -12.509 1.092 -17.502 42 HB3 ASP 6 2HB ASP 6 -12.114 2.463 -16.472 43 H ARG 7 H ARG 7 -16.343 2.336 -15.391 44 HA ARG 7 HA ARG 7 -16.110 5.046 -14.608 45 HB2 ARG 7 1HB ARG 7 -17.960 2.888 -13.585 46 HB3 ARG 7 2HB ARG 7 -18.167 4.616 -13.338 47 HG2 ARG 7 1HG ARG 7 -18.766 4.996 -15.534 48 HG3 ARG 7 2HG ARG 7 -17.980 3.522 -16.110 49 HD2 ARG 7 1HD ARG 7 -20.450 3.616 -14.380 50 HD3 ARG 7 2HD ARG 7 -20.444 3.359 -16.126 51 HE ARG 7 HE ARG 7 -19.148 1.303 -15.674 52 HH11 ARG 7 1HH1 ARG 7 -21.129 2.677 -13.140 53 HH12 ARG 7 2HH1 ARG 7 -21.255 1.186 -12.253 54 HH21 ARG 7 1HH2 ARG 7 -19.308 -0.662 -14.511 55 HH22 ARG 7 2HH2 ARG 7 -20.206 -0.697 -13.023 56 H ASP 8 H ASP 8 -16.152 2.080 -12.646 57 HA ASP 8 HA ASP 8 -14.711 3.528 -10.546 58 HB2 ASP 8 1HB ASP 8 -15.360 1.535 -9.118 59 HB3 ASP 8 2HB ASP 8 -16.695 2.539 -9.670 60 HA PRO 9 HA PRO 9 -11.403 1.020 -12.298 61 HB2 PRO 9 1HB PRO 9 -9.454 2.830 -12.090 62 HB3 PRO 9 2HB PRO 9 -10.729 2.987 -13.305 63 HG2 PRO 9 1HG PRO 9 -10.367 4.447 -10.737 64 HG3 PRO 9 2HG PRO 9 -11.034 5.022 -12.275 65 HD2 PRO 9 1HD PRO 9 -12.498 4.160 -10.028 66 HD3 PRO 9 2HD PRO 9 -13.138 4.447 -11.658 67 H THR 10 H THR 10 -9.950 -0.313 -11.385 68 HA THR 10 HA THR 10 -9.287 -0.031 -8.565 69 HB THR 10 HB THR 10 -8.286 -2.129 -10.505 70 HG1 THR 10 HG1 THR 10 -10.780 -1.747 -9.705 71 HG21 THR 10 3HG2 THR 10 -7.025 -1.975 -8.417 72 HG22 THR 10 1HG2 THR 10 -7.963 -3.468 -8.474 73 HG23 THR 10 2HG2 THR 10 -8.521 -2.112 -7.493 74 H LEU 11 H LEU 11 -7.689 1.326 -8.049 75 HA LEU 11 HA LEU 11 -5.749 2.108 -10.065 76 HB2 LEU 11 1HB LEU 11 -6.938 3.779 -8.679 77 HB3 LEU 11 2HB LEU 11 -6.170 3.117 -7.250 78 HG LEU 11 HG LEU 11 -3.970 3.798 -8.119 79 HD11 LEU 11 1HD1 LEU 11 -3.829 5.249 -10.077 80 HD12 LEU 11 2HD1 LEU 11 -5.557 5.041 -10.363 81 HD13 LEU 11 3HD1 LEU 11 -4.466 3.661 -10.507 82 HD21 LEU 11 3HD2 LEU 11 -5.215 5.298 -6.656 83 HD22 LEU 11 1HD2 LEU 11 -6.018 6.011 -8.056 84 HD23 LEU 11 2HD2 LEU 11 -4.278 6.207 -7.842 85 H THR 12 H THR 12 -3.612 1.644 -10.041 86 HA THR 12 HA THR 12 -2.682 -0.221 -7.975 87 HB THR 12 HB THR 12 -1.380 0.420 -10.630 88 HG1 THR 12 HG1 THR 12 -3.587 -1.064 -10.052 89 HG21 THR 12 3HG2 THR 12 -1.011 -1.874 -8.701 90 HG22 THR 12 1HG2 THR 12 0.126 -0.555 -8.971 91 HG23 THR 12 2HG2 THR 12 -0.210 -1.707 -10.263 92 H LEU 13 H LEU 13 -1.399 0.531 -6.425 93 HA LEU 13 HA LEU 13 0.247 2.920 -6.947 94 HB2 LEU 13 1HB LEU 13 -1.360 2.358 -4.450 95 HB3 LEU 13 2HB LEU 13 -0.278 3.719 -4.681 96 HG LEU 13 HG LEU 13 -2.760 3.230 -6.328 97 HD11 LEU 13 1HD1 LEU 13 -3.756 5.050 -5.041 98 HD12 LEU 13 2HD1 LEU 13 -2.320 5.118 -4.020 99 HD13 LEU 13 3HD1 LEU 13 -3.345 3.683 -4.007 100 HD21 LEU 13 3HD2 LEU 13 -0.927 5.615 -6.106 101 HD22 LEU 13 1HD2 LEU 13 -2.415 5.544 -7.050 102 HD23 LEU 13 2HD2 LEU 13 -1.046 4.519 -7.483 103 H SER 14 H SER 14 2.169 3.065 -5.629 104 HA SER 14 HA SER 14 3.176 0.426 -4.960 105 HB2 SER 14 1HB SER 14 5.350 1.799 -4.632 106 HB3 SER 14 2HB SER 14 4.715 1.615 -6.267 107 HG SER 14 HG SER 14 5.243 3.856 -5.006 108 H LEU 15 H LEU 15 4.156 -0.098 -2.981 109 HA LEU 15 HA LEU 15 3.004 1.287 -0.691 110 HB2 LEU 15 1HB LEU 15 2.831 -1.171 -0.867 111 HB3 LEU 15 2HB LEU 15 4.579 -1.287 -0.856 112 HG LEU 15 HG LEU 15 4.533 -0.236 1.440 113 HD11 LEU 15 1HD1 LEU 15 1.590 -0.843 1.203 114 HD12 LEU 15 2HD1 LEU 15 2.317 0.761 1.322 115 HD13 LEU 15 3HD1 LEU 15 2.430 -0.363 2.677 116 HD21 LEU 15 3HD2 LEU 15 4.875 -2.623 1.099 117 HD22 LEU 15 1HD2 LEU 15 3.131 -2.880 1.075 118 HD23 LEU 15 2HD2 LEU 15 3.919 -2.322 2.550 119 H ILE 16 H ILE 16 4.171 2.386 0.802 120 HA ILE 16 HA ILE 16 7.106 2.299 0.595 121 HB ILE 16 HB ILE 16 7.126 4.699 1.344 122 HG12 ILE 16 1HG1 ILE 16 4.212 4.585 0.529 123 HG13 ILE 16 2HG1 ILE 16 4.808 4.810 2.169 124 HG21 ILE 16 1HG2 ILE 16 6.713 5.604 -0.902 125 HG22 ILE 16 2HG2 ILE 16 5.901 4.103 -1.345 126 HG23 ILE 16 3HG2 ILE 16 7.619 4.091 -0.949 127 HD11 ILE 16 3HD1 ILE 16 5.813 6.932 1.517 128 HD12 ILE 16 1HD1 ILE 16 4.080 6.910 1.189 129 HD13 ILE 16 2HD1 ILE 16 5.231 6.703 -0.132 130 H ALA 17 H ALA 17 8.213 2.920 2.605 131 HA ALA 17 HA ALA 17 6.665 2.001 4.942 132 HB1 ALA 17 3HB ALA 17 9.640 1.895 4.458 133 HB2 ALA 17 1HB ALA 17 8.520 0.540 4.313 134 HB3 ALA 17 2HB ALA 17 8.802 1.288 5.885 135 H LYS 18 H LYS 18 6.380 3.379 6.618 136 HA LYS 18 HA LYS 18 8.060 5.795 6.627 137 HB2 LYS 18 1HB LYS 18 5.129 5.586 7.321 138 HB3 LYS 18 2HB LYS 18 6.115 7.015 7.605 139 HG2 LYS 18 1HG LYS 18 6.611 7.015 5.130 140 HG3 LYS 18 2HG LYS 18 5.350 5.791 4.970 141 HD2 LYS 18 1HD LYS 18 3.733 7.348 5.979 142 HD3 LYS 18 2HD LYS 18 5.000 8.572 6.092 143 HE2 LYS 18 1HE LYS 18 5.274 8.415 3.620 144 HE3 LYS 18 2HE LYS 18 3.881 7.338 3.580 145 HZ1 LYS 18 3HZ LYS 18 3.892 10.167 4.493 146 HZ2 LYS 18 1HZ LYS 18 2.541 9.138 4.546 147 HZ3 LYS 18 2HZ LYS 18 3.217 9.574 3.055 148 H ASN 19 H ASN 19 9.073 6.302 8.387 149 HA ASN 19 HA ASN 19 9.937 6.261 10.461 150 HB2 ASN 19 1HB ASN 19 7.547 6.930 11.017 151 HB3 ASN 19 2HB ASN 19 7.280 5.246 11.463 152 HD21 ASN 19 2HD2 ASN 19 6.911 5.708 13.618 153 HD22 ASN 19 1HD2 ASN 19 8.174 6.233 14.688 154 H THR 20 H THR 20 10.523 4.040 8.932 155 HA THR 20 HA THR 20 10.267 1.719 10.622 156 HB THR 20 HB THR 20 10.523 1.547 8.123 157 HG1 THR 20 HG1 THR 20 12.372 0.189 9.818 158 HG21 THR 20 3HG2 THR 20 12.796 1.635 7.187 159 HG22 THR 20 1HG2 THR 20 13.390 2.279 8.717 160 HG23 THR 20 2HG2 THR 20 12.250 3.215 7.751 161 HA PRO 21 HA PRO 21 13.455 2.618 13.547 162 HB2 PRO 21 1HB PRO 21 14.050 -0.291 13.273 163 HB3 PRO 21 2HB PRO 21 13.772 0.669 14.731 164 HG2 PRO 21 1HG PRO 21 11.872 -0.940 13.806 165 HG3 PRO 21 2HG PRO 21 11.464 0.660 14.456 166 HD2 PRO 21 1HD PRO 21 11.605 -0.254 11.616 167 HD3 PRO 21 2HD PRO 21 10.479 0.886 12.382 168 H ALA 22 H ALA 22 15.632 2.955 13.627 169 HA ALA 22 HA ALA 22 16.965 3.234 11.173 170 HB1 ALA 22 3HB ALA 22 18.869 3.967 12.492 171 HB2 ALA 22 1HB ALA 22 18.132 3.307 13.952 172 HB3 ALA 22 2HB ALA 22 17.374 4.664 13.118 173 H ASN 23 H ASN 23 17.117 0.720 13.630 174 HA ASN 23 HA ASN 23 19.320 -0.549 12.170 175 HB2 ASN 23 1HB ASN 23 18.259 -0.945 14.962 176 HB3 ASN 23 2HB ASN 23 19.420 -2.048 14.224 177 HD21 ASN 23 2HD2 ASN 23 19.708 -0.288 16.545 178 HD22 ASN 23 1HD2 ASN 23 21.046 0.753 16.192 179 H SER 24 H SER 24 16.353 -0.563 11.485 180 HA SER 24 HA SER 24 16.108 -3.483 11.253 181 HB2 SER 24 1HB SER 24 13.707 -3.127 10.816 182 HB3 SER 24 2HB SER 24 14.174 -2.465 12.382 183 HG SER 24 HG SER 24 14.488 -0.559 10.556 184 H MET 25 H MET 25 16.311 -4.342 9.308 185 HA MET 25 HA MET 25 16.575 -2.492 7.030 186 HB2 MET 25 1HB MET 25 18.683 -3.487 7.606 187 HB3 MET 25 2HB MET 25 17.970 -5.091 7.676 188 HG2 MET 25 1HG MET 25 17.566 -5.003 5.256 189 HG3 MET 25 2HG MET 25 18.322 -3.412 5.201 190 HE1 MET 25 3HE MET 25 20.611 -7.209 6.486 191 HE2 MET 25 1HE MET 25 18.889 -7.201 6.111 192 HE3 MET 25 2HE MET 25 19.486 -6.340 7.530 193 H ILE 26 H ILE 26 15.244 -2.767 5.358 194 HA ILE 26 HA ILE 26 13.227 -4.842 5.579 195 HB ILE 26 HB ILE 26 13.413 -2.732 3.425 196 HG12 ILE 26 1HG1 ILE 26 12.040 -2.527 6.119 197 HG13 ILE 26 2HG1 ILE 26 13.511 -1.672 5.666 198 HG21 ILE 26 1HG2 ILE 26 10.987 -3.043 3.317 199 HG22 ILE 26 2HG2 ILE 26 11.089 -4.272 4.578 200 HG23 ILE 26 3HG2 ILE 26 11.848 -4.552 3.010 201 HD11 ILE 26 3HD1 ILE 26 12.279 -0.475 3.932 202 HD12 ILE 26 1HD1 ILE 26 11.574 -0.222 5.529 203 HD13 ILE 26 2HD1 ILE 26 10.806 -1.331 4.392 204 H MET 27 H MET 27 13.662 -6.785 4.756 205 HA MET 27 HA MET 27 15.504 -7.104 2.543 206 HB2 MET 27 1HB MET 27 13.885 -9.099 4.138 207 HB3 MET 27 2HB MET 27 14.965 -9.549 2.825 208 HG2 MET 27 1HG MET 27 15.778 -8.133 5.352 209 HG3 MET 27 2HG MET 27 15.996 -9.849 5.017 210 HE1 MET 27 3HE MET 27 17.616 -10.795 3.126 211 HE2 MET 27 1HE MET 27 18.551 -9.768 2.039 212 HE3 MET 27 2HE MET 27 16.791 -9.803 1.925 213 H THR 28 H THR 28 12.068 -7.542 3.169 214 HA THR 28 HA THR 28 11.430 -8.451 0.540 215 HB THR 28 HB THR 28 9.541 -7.195 2.536 216 HG1 THR 28 HG1 THR 28 10.449 -9.906 2.380 217 HG21 THR 28 3HG2 THR 28 7.902 -8.708 1.515 218 HG22 THR 28 1HG2 THR 28 9.141 -9.305 0.411 219 HG23 THR 28 2HG2 THR 28 8.609 -7.627 0.314 220 H LYS 29 H LYS 29 11.200 -7.217 -1.264 221 HA LYS 29 HA LYS 29 11.207 -4.365 -1.099 222 HB2 LYS 29 1HB LYS 29 10.814 -6.293 -3.368 223 HB3 LYS 29 2HB LYS 29 10.527 -4.570 -3.589 224 HG2 LYS 29 1HG LYS 29 12.875 -4.235 -2.653 225 HG3 LYS 29 2HG LYS 29 13.092 -5.967 -2.917 226 HD2 LYS 29 1HD LYS 29 12.693 -5.727 -5.262 227 HD3 LYS 29 2HD LYS 29 12.207 -4.044 -5.060 228 HE2 LYS 29 1HE LYS 29 14.958 -5.186 -4.591 229 HE3 LYS 29 2HE LYS 29 14.463 -4.172 -5.945 230 HZ1 LYS 29 3HZ LYS 29 14.678 -3.399 -3.089 231 HZ2 LYS 29 1HZ LYS 29 13.906 -2.431 -4.251 232 HZ3 LYS 29 2HZ LYS 29 15.559 -2.782 -4.397 233 H LEU 30 H LEU 30 9.561 -2.937 -1.382 234 HA LEU 30 HA LEU 30 7.115 -3.796 -0.202 235 HB2 LEU 30 1HB LEU 30 7.881 -1.115 -1.355 236 HB3 LEU 30 2HB LEU 30 6.505 -1.427 -0.310 237 HG LEU 30 HG LEU 30 9.379 -1.856 0.512 238 HD11 LEU 30 1HD1 LEU 30 8.957 0.509 0.107 239 HD12 LEU 30 2HD1 LEU 30 9.152 0.176 1.828 240 HD13 LEU 30 3HD1 LEU 30 7.541 0.440 1.157 241 HD21 LEU 30 3HD2 LEU 30 7.784 -3.238 1.723 242 HD22 LEU 30 1HD2 LEU 30 6.821 -1.811 2.104 243 HD23 LEU 30 2HD2 LEU 30 8.447 -1.981 2.767 244 HA PRO 31 HA PRO 31 5.300 -5.009 -4.078 245 HB2 PRO 31 1HB PRO 31 2.845 -5.305 -2.476 246 HB3 PRO 31 2HB PRO 31 3.739 -6.516 -3.400 247 HG2 PRO 31 1HG PRO 31 3.760 -6.503 -0.721 248 HG3 PRO 31 2HG PRO 31 5.192 -6.963 -1.661 249 HD2 PRO 31 1HD PRO 31 4.578 -4.376 -0.280 250 HD3 PRO 31 2HD PRO 31 6.105 -5.280 -0.356 251 H SER 32 H SER 32 3.276 -4.572 -5.304 252 HA SER 32 HA SER 32 2.535 -1.744 -5.036 253 HB2 SER 32 1HB SER 32 3.593 -2.632 -7.178 254 HB3 SER 32 2HB SER 32 2.110 -3.551 -7.427 255 HG SER 32 HG SER 32 1.942 -1.626 -8.531 256 H VAL 33 H VAL 33 0.523 -1.235 -4.430 257 HA VAL 33 HA VAL 33 -1.324 -3.426 -3.888 258 HB VAL 33 HB VAL 33 -2.543 -1.905 -2.486 259 HG11 VAL 33 1HG1 VAL 33 -0.585 -2.861 -1.463 260 HG12 VAL 33 2HG1 VAL 33 -0.792 -1.204 -0.890 261 HG13 VAL 33 3HG1 VAL 33 0.426 -1.570 -2.112 262 HG21 VAL 33 3HG2 VAL 33 -0.741 0.278 -3.527 263 HG22 VAL 33 1HG2 VAL 33 -1.928 0.455 -2.234 264 HG23 VAL 33 2HG2 VAL 33 -2.460 0.090 -3.875 265 H ARG 34 H ARG 34 -3.530 -3.339 -4.501 266 HA ARG 34 HA ARG 34 -4.147 -1.502 -6.708 267 HB2 ARG 34 1HB ARG 34 -4.608 -4.485 -6.619 268 HB3 ARG 34 2HB ARG 34 -5.423 -3.422 -7.759 269 HG2 ARG 34 1HG ARG 34 -3.383 -2.839 -8.812 270 HG3 ARG 34 2HG ARG 34 -2.431 -3.600 -7.536 271 HD2 ARG 34 1HD ARG 34 -2.518 -4.963 -9.572 272 HD3 ARG 34 2HD ARG 34 -3.238 -5.781 -8.189 273 HE ARG 34 HE ARG 34 -5.170 -4.375 -9.776 274 HH11 ARG 34 1HH1 ARG 34 -3.301 -7.321 -9.506 275 HH12 ARG 34 2HH1 ARG 34 -4.431 -8.276 -10.419 276 HH21 ARG 34 1HH2 ARG 34 -6.693 -5.654 -10.953 277 HH22 ARG 34 2HH2 ARG 34 -6.346 -7.338 -11.228 278 H VAL 35 H VAL 35 -5.577 -0.213 -5.773 279 HA VAL 35 HA VAL 35 -7.578 -1.407 -3.986 280 HB VAL 35 HB VAL 35 -7.906 0.852 -3.073 281 HG11 VAL 35 1HG1 VAL 35 -6.227 -0.711 -2.129 282 HG12 VAL 35 2HG1 VAL 35 -5.845 0.987 -1.846 283 HG13 VAL 35 3HG1 VAL 35 -4.991 0.088 -3.100 284 HG21 VAL 35 3HG2 VAL 35 -5.658 1.650 -4.924 285 HG22 VAL 35 1HG2 VAL 35 -6.357 2.664 -3.662 286 HG23 VAL 35 2HG2 VAL 35 -7.338 2.174 -5.043 287 H LYS 36 H LYS 36 -9.716 -1.257 -4.419 288 HA LYS 36 HA LYS 36 -10.440 -0.308 -7.058 289 HB2 LYS 36 1HB LYS 36 -11.352 -2.445 -6.157 290 HB3 LYS 36 2HB LYS 36 -12.183 -1.532 -4.904 291 HG2 LYS 36 1HG LYS 36 -13.462 -0.351 -6.633 292 HG3 LYS 36 2HG LYS 36 -12.651 -1.312 -7.870 293 HD2 LYS 36 1HD LYS 36 -13.583 -3.355 -6.886 294 HD3 LYS 36 2HD LYS 36 -14.399 -2.385 -5.657 295 HE2 LYS 36 1HE LYS 36 -15.974 -2.930 -7.388 296 HE3 LYS 36 2HE LYS 36 -15.616 -1.205 -7.461 297 HZ1 LYS 36 3HZ LYS 36 -13.866 -1.951 -9.199 298 HZ2 LYS 36 1HZ LYS 36 -15.497 -1.823 -9.654 299 HZ3 LYS 36 2HZ LYS 36 -14.820 -3.344 -9.317 300 H THR 37 H THR 37 -11.120 1.694 -7.421 301 HA THR 37 HA THR 37 -12.276 3.195 -5.163 302 HB THR 37 HB THR 37 -11.341 5.254 -6.327 303 HG1 THR 37 HG1 THR 37 -10.649 3.473 -8.152 304 HG21 THR 37 3HG2 THR 37 -9.380 3.240 -5.224 305 HG22 THR 37 1HG2 THR 37 -10.343 4.380 -4.283 306 HG23 THR 37 2HG2 THR 37 -9.092 4.975 -5.375 307 H GLU 38 H GLU 38 -13.885 4.768 -5.716 308 HA GLU 38 HA GLU 38 -15.046 4.392 -8.395 309 HB2 GLU 38 1HB GLU 38 -17.265 4.884 -7.360 310 HB3 GLU 38 2HB GLU 38 -16.544 3.375 -6.820 311 HG2 GLU 38 1HG GLU 38 -16.414 4.054 -4.696 312 HG3 GLU 38 2HG GLU 38 -15.898 5.681 -5.141 313 H GLY 39 H GLY 39 -14.911 6.154 -9.586 314 HA2 GLY 39 1HA GLY 39 -15.931 8.553 -9.375 315 HA3 GLY 39 2HA GLY 39 -14.582 8.742 -8.263 316 H TYR 40 H TYR 40 -14.685 10.408 -10.349 317 HA TYR 40 HA TYR 40 -12.981 9.313 -12.457 318 HB2 TYR 40 1HB TYR 40 -14.360 12.001 -12.243 319 HB3 TYR 40 2HB TYR 40 -13.422 11.449 -13.626 320 HD1 TYR 40 HD1 TYR 40 -14.300 9.723 -15.118 321 HD2 TYR 40 HD2 TYR 40 -16.583 11.148 -11.823 322 HE1 TYR 40 HE1 TYR 40 -16.320 8.703 -16.083 323 HE2 TYR 40 HE2 TYR 40 -18.607 10.133 -12.778 324 HH TYR 40 HH TYR 40 -19.476 9.378 -14.870 325 H ASN 41 H ASN 41 -10.891 9.944 -12.756 326 HA ASN 41 HA ASN 41 -9.821 11.917 -10.857 327 HB2 ASN 41 1HB ASN 41 -7.765 10.451 -10.702 328 HB3 ASN 41 2HB ASN 41 -9.207 9.834 -9.910 329 HD21 ASN 41 2HD2 ASN 41 -8.480 7.732 -9.966 330 HD22 ASN 41 1HD2 ASN 41 -8.410 6.808 -11.422 331 HA PRO 42 HA PRO 42 -8.326 12.594 -15.304 332 HB2 PRO 42 1HB PRO 42 -9.333 15.115 -15.606 333 HB3 PRO 42 2HB PRO 42 -10.177 13.653 -16.124 334 HG2 PRO 42 1HG PRO 42 -10.574 15.304 -13.673 335 HG3 PRO 42 2HG PRO 42 -11.779 14.500 -14.695 336 HD2 PRO 42 1HD PRO 42 -10.953 13.503 -12.307 337 HD3 PRO 42 2HD PRO 42 -11.497 12.478 -13.649 338 H SER 43 H SER 43 -8.758 15.230 -12.932 339 HA SER 43 HA SER 43 -5.925 15.919 -13.333 340 HB2 SER 43 1HB SER 43 -8.223 17.733 -12.558 341 HB3 SER 43 2HB SER 43 -6.549 18.233 -12.806 342 HG SER 43 HG SER 43 -6.742 17.568 -14.981 343 H ILE 44 H ILE 44 -6.742 13.959 -11.467 344 HA ILE 44 HA ILE 44 -6.189 15.331 -8.915 345 HB ILE 44 HB ILE 44 -7.466 12.607 -9.250 346 HG12 ILE 44 1HG1 ILE 44 -8.756 15.269 -8.595 347 HG13 ILE 44 2HG1 ILE 44 -8.948 14.379 -10.102 348 HG21 ILE 44 1HG2 ILE 44 -8.008 12.843 -6.869 349 HG22 ILE 44 2HG2 ILE 44 -7.148 14.383 -6.830 350 HG23 ILE 44 3HG2 ILE 44 -6.267 12.888 -7.149 351 HD11 ILE 44 3HD1 ILE 44 -10.877 14.103 -8.657 352 HD12 ILE 44 1HD1 ILE 44 -9.845 13.457 -7.382 353 HD13 ILE 44 2HD1 ILE 44 -10.042 12.567 -8.892 354 H ASN 45 H ASN 45 -4.525 14.539 -7.623 355 HA ASN 45 HA ASN 45 -2.422 13.183 -9.071 356 HB2 ASN 45 1HB ASN 45 -2.484 14.184 -6.213 357 HB3 ASN 45 2HB ASN 45 -1.049 13.677 -7.096 358 HD21 ASN 45 2HD2 ASN 45 -0.160 15.040 -8.647 359 HD22 ASN 45 1HD2 ASN 45 -0.645 16.700 -8.787 360 H VAL 46 H VAL 46 -4.562 11.463 -8.728 361 HA VAL 46 HA VAL 46 -4.536 9.915 -6.389 362 HB VAL 46 HB VAL 46 -5.660 8.151 -7.805 363 HG11 VAL 46 1HG1 VAL 46 -6.919 9.814 -6.553 364 HG12 VAL 46 2HG1 VAL 46 -7.707 9.461 -8.092 365 HG13 VAL 46 3HG1 VAL 46 -6.779 10.948 -7.896 366 HG21 VAL 46 3HG2 VAL 46 -4.627 8.683 -9.945 367 HG22 VAL 46 1HG2 VAL 46 -5.392 10.272 -9.937 368 HG23 VAL 46 2HG2 VAL 46 -6.381 8.816 -10.054 369 H ASN 47 H ASN 47 -2.654 9.635 -9.363 370 HA ASN 47 HA ASN 47 -1.603 7.049 -8.643 371 HB2 ASN 47 1HB ASN 47 -0.826 8.993 -10.826 372 HB3 ASN 47 2HB ASN 47 -0.064 7.424 -10.601 373 HD21 ASN 47 2HD2 ASN 47 -0.698 6.597 -12.545 374 HD22 ASN 47 1HD2 ASN 47 -2.343 6.231 -12.930 375 H GLU 48 H GLU 48 -1.039 10.103 -7.549 376 HA GLU 48 HA GLU 48 1.782 9.559 -6.943 377 HB2 GLU 48 1HB GLU 48 0.246 12.158 -6.853 378 HB3 GLU 48 2HB GLU 48 1.937 11.971 -6.403 379 HG2 GLU 48 1HG GLU 48 2.432 11.215 -8.692 380 HG3 GLU 48 2HG GLU 48 0.747 11.500 -9.126 381 H LEU 49 H LEU 49 -1.324 9.584 -5.600 382 HA LEU 49 HA LEU 49 -0.418 9.864 -2.867 383 HB2 LEU 49 1HB LEU 49 -3.027 8.814 -3.980 384 HB3 LEU 49 2HB LEU 49 -2.702 9.118 -2.284 385 HG LEU 49 HG LEU 49 -2.816 11.193 -4.473 386 HD11 LEU 49 1HD1 LEU 49 -4.634 10.655 -2.132 387 HD12 LEU 49 2HD1 LEU 49 -4.998 10.331 -3.826 388 HD13 LEU 49 3HD1 LEU 49 -4.784 11.992 -3.273 389 HD21 LEU 49 3HD2 LEU 49 -2.309 11.515 -1.518 390 HD22 LEU 49 1HD2 LEU 49 -2.540 12.826 -2.675 391 HD23 LEU 49 2HD2 LEU 49 -1.134 11.771 -2.808 392 H PHE 50 H PHE 50 0.386 8.248 -1.630 393 HA PHE 50 HA PHE 50 0.564 5.635 -2.977 394 HB2 PHE 50 1HB PHE 50 2.493 6.899 -1.023 395 HB3 PHE 50 2HB PHE 50 2.685 5.314 -1.764 396 HD1 PHE 50 HD2 PHE 50 2.541 5.357 -4.421 397 HD2 PHE 50 HD1 PHE 50 3.610 8.664 -1.964 398 HE1 PHE 50 HE2 PHE 50 3.702 6.393 -6.326 399 HE2 PHE 50 HE1 PHE 50 4.772 9.706 -3.865 400 HZ PHE 50 HZ PHE 50 4.818 8.570 -6.051 401 H ALA 51 H ALA 51 1.045 3.803 -1.494 402 HA ALA 51 HA ALA 51 -0.648 3.919 0.911 403 HB1 ALA 51 3HB ALA 51 0.285 1.528 -0.680 404 HB2 ALA 51 1HB ALA 51 -1.321 2.253 -0.759 405 HB3 ALA 51 2HB ALA 51 -0.773 1.484 0.729 406 H TYR 52 H TYR 52 0.274 3.416 2.910 407 HA TYR 52 HA TYR 52 3.080 2.581 2.834 408 HB2 TYR 52 1HB TYR 52 3.823 4.263 4.319 409 HB3 TYR 52 2HB TYR 52 2.901 5.086 3.075 410 HD1 TYR 52 HD2 TYR 52 0.667 6.016 3.613 411 HD2 TYR 52 HD1 TYR 52 3.179 4.317 6.596 412 HE1 TYR 52 HE2 TYR 52 -0.634 7.158 5.357 413 HE2 TYR 52 HE1 TYR 52 1.888 5.458 8.346 414 HH TYR 52 HH TYR 52 0.441 7.421 8.574 415 H VAL 53 H VAL 53 3.892 1.690 4.770 416 HA VAL 53 HA VAL 53 1.801 0.707 6.590 417 HB VAL 53 HB VAL 53 3.387 -1.130 7.166 418 HG11 VAL 53 1HG1 VAL 53 1.612 -1.516 5.553 419 HG12 VAL 53 2HG1 VAL 53 3.061 -2.415 5.100 420 HG13 VAL 53 3HG1 VAL 53 2.645 -0.928 4.249 421 HG21 VAL 53 3HG2 VAL 53 5.291 -1.574 5.687 422 HG22 VAL 53 1HG2 VAL 53 5.477 -0.039 6.535 423 HG23 VAL 53 2HG2 VAL 53 4.987 -0.058 4.840 424 H ASP 54 H ASP 54 2.093 0.942 8.784 425 HA ASP 54 HA ASP 54 4.082 2.922 9.556 426 HB2 ASP 54 1HB ASP 54 1.775 3.252 10.330 427 HB3 ASP 54 2HB ASP 54 1.824 1.697 11.157 428 H LEU 55 H LEU 55 5.967 2.343 10.316 429 HA LEU 55 HA LEU 55 6.275 -0.364 11.425 430 HB2 LEU 55 1HB LEU 55 8.256 1.454 10.050 431 HB3 LEU 55 2HB LEU 55 8.678 -0.083 10.786 432 HG LEU 55 HG LEU 55 6.670 0.188 8.547 433 HD11 LEU 55 1HD1 LEU 55 8.878 0.912 7.786 434 HD12 LEU 55 2HD1 LEU 55 8.416 -0.629 7.066 435 HD13 LEU 55 3HD1 LEU 55 9.578 -0.589 8.393 436 HD21 LEU 55 3HD2 LEU 55 6.428 -1.804 9.932 437 HD22 LEU 55 1HD2 LEU 55 8.133 -2.185 9.687 438 HD23 LEU 55 2HD2 LEU 55 7.017 -2.214 8.320 439 H SER 56 H SER 56 5.424 2.093 12.841 440 HA SER 56 HA SER 56 7.619 2.969 14.446 441 HB2 SER 56 1HB SER 56 4.660 3.232 15.029 442 HB3 SER 56 2HB SER 56 5.966 4.220 15.684 443 HG SER 56 HG SER 56 4.715 4.323 13.209 444 H GLY 57 H GLY 57 8.585 1.243 15.444 445 HA2 GLY 57 1HA GLY 57 8.799 0.131 17.533 446 HA3 GLY 57 2HA GLY 57 7.047 0.063 17.644 447 H SER 58 H SER 58 8.521 -0.803 14.641 448 HA SER 58 HA SER 58 7.662 -3.550 15.013 449 HB2 SER 58 1HB SER 58 8.269 -3.774 12.601 450 HB3 SER 58 2HB SER 58 7.101 -2.489 12.907 451 HG SER 58 HG SER 58 9.891 -2.024 12.750 452 H GLU 59 H GLU 59 8.986 -5.100 15.694 453 HA GLU 59 HA GLU 59 11.800 -4.660 15.986 454 HB2 GLU 59 1HB GLU 59 11.859 -6.932 16.891 455 HB3 GLU 59 2HB GLU 59 10.541 -6.016 17.607 456 HG2 GLU 59 1HG GLU 59 8.939 -7.139 16.200 457 HG3 GLU 59 2HG GLU 59 10.233 -7.981 15.348 458 HA PRO 60 HA PRO 60 13.239 -6.281 12.136 459 HB2 PRO 60 1HB PRO 60 15.421 -7.678 13.520 460 HB3 PRO 60 2HB PRO 60 15.498 -6.336 12.375 461 HG2 PRO 60 1HG PRO 60 16.038 -6.009 14.992 462 HG3 PRO 60 2HG PRO 60 15.264 -4.740 14.022 463 HD2 PRO 60 1HD PRO 60 14.029 -6.675 15.949 464 HD3 PRO 60 2HD PRO 60 13.689 -4.947 15.715 465 H GLY 61 H GLY 61 11.509 -7.732 11.805 466 HA2 GLY 61 1HA GLY 61 12.382 -10.438 11.523 467 HA3 GLY 61 2HA GLY 61 11.142 -10.272 12.762 468 H GLU 62 H GLU 62 10.474 -11.820 10.694 469 HA GLU 62 HA GLU 62 9.157 -10.269 8.640 470 HB2 GLU 62 1HB GLU 62 10.165 -12.479 8.147 471 HB3 GLU 62 2HB GLU 62 9.009 -13.232 9.235 472 HG2 GLU 62 1HG GLU 62 7.180 -12.413 7.785 473 HG3 GLU 62 2HG GLU 62 8.394 -11.791 6.666 474 H HIS 63 H HIS 63 7.431 -9.149 9.254 475 HA HIS 63 HA HIS 63 5.356 -10.551 10.793 476 HB2 HIS 63 1HB HIS 63 6.372 -7.745 11.274 477 HB3 HIS 63 2HB HIS 63 4.848 -8.344 11.920 478 HD1 HIS 63 HD1 HIS 63 4.947 -9.644 14.066 479 HD2 HIS 63 HD2 HIS 63 8.690 -9.106 12.336 480 HE1 HIS 63 HE1 HIS 63 6.603 -10.512 15.746 481 HE2 HIS 63 HE2 HIS 63 8.836 -10.391 14.576 482 H ASP 64 H ASP 64 3.236 -9.337 10.662 483 HA ASP 64 HA ASP 64 2.835 -8.628 7.850 484 HB2 ASP 64 1HB ASP 64 0.933 -9.580 9.995 485 HB3 ASP 64 2HB ASP 64 0.392 -8.997 8.424 486 H TYR 65 H TYR 65 2.527 -6.604 7.294 487 HA TYR 65 HA TYR 65 1.657 -4.710 9.374 488 HB2 TYR 65 1HB TYR 65 3.493 -4.171 7.029 489 HB3 TYR 65 2HB TYR 65 2.999 -2.996 8.247 490 HD1 TYR 65 HD2 TYR 65 3.586 -3.565 10.705 491 HD2 TYR 65 HD1 TYR 65 5.433 -5.425 7.356 492 HE1 TYR 65 HE2 TYR 65 5.464 -4.256 12.133 493 HE2 TYR 65 HE1 TYR 65 7.315 -6.128 8.775 494 HH TYR 65 HH TYR 65 8.383 -5.414 10.908 495 H GLU 66 H GLU 66 -0.105 -3.556 8.986 496 HA GLU 66 HA GLU 66 -1.757 -4.311 6.800 497 HB2 GLU 66 1HB GLU 66 -2.125 -2.142 8.871 498 HB3 GLU 66 2HB GLU 66 -3.370 -2.701 7.761 499 HG2 GLU 66 1HG GLU 66 -3.279 -4.918 8.753 500 HG3 GLU 66 2HG GLU 66 -2.004 -4.386 9.848 501 H VAL 67 H VAL 67 -2.222 -3.311 4.947 502 HA VAL 67 HA VAL 67 -0.466 -1.207 4.073 503 HB VAL 67 HB VAL 67 -2.767 -2.524 2.618 504 HG11 VAL 67 1HG1 VAL 67 -0.522 -0.790 1.593 505 HG12 VAL 67 2HG1 VAL 67 -2.227 -0.349 1.681 506 HG13 VAL 67 3HG1 VAL 67 -1.705 -1.634 0.592 507 HG21 VAL 67 3HG2 VAL 67 -1.030 -3.822 1.476 508 HG22 VAL 67 1HG2 VAL 67 -1.037 -4.129 3.213 509 HG23 VAL 67 2HG2 VAL 67 0.195 -3.082 2.507 510 H LYS 68 H LYS 68 -0.857 0.819 4.596 511 HA LYS 68 HA LYS 68 -3.634 1.719 4.846 512 HB2 LYS 68 1HB LYS 68 -2.171 2.093 6.784 513 HB3 LYS 68 2HB LYS 68 -1.063 3.008 5.773 514 HG2 LYS 68 1HG LYS 68 -2.761 4.702 5.404 515 HG3 LYS 68 2HG LYS 68 -3.912 3.773 6.371 516 HD2 LYS 68 1HD LYS 68 -2.357 3.951 8.293 517 HD3 LYS 68 2HD LYS 68 -1.316 4.986 7.307 518 HE2 LYS 68 1HE LYS 68 -4.209 5.671 7.685 519 HE3 LYS 68 2HE LYS 68 -3.037 6.061 8.943 520 HZ1 LYS 68 3HZ LYS 68 -2.857 6.949 6.108 521 HZ2 LYS 68 1HZ LYS 68 -1.783 7.348 7.358 522 HZ3 LYS 68 2HZ LYS 68 -3.382 7.903 7.404 523 H VAL 69 H VAL 69 -4.309 2.290 2.864 524 HA VAL 69 HA VAL 69 -2.610 3.861 1.109 525 HB VAL 69 HB VAL 69 -5.514 3.095 0.733 526 HG11 VAL 69 1HG1 VAL 69 -4.821 4.955 -0.666 527 HG12 VAL 69 2HG1 VAL 69 -5.060 3.509 -1.646 528 HG13 VAL 69 3HG1 VAL 69 -3.428 4.034 -1.234 529 HG21 VAL 69 3HG2 VAL 69 -4.687 1.280 -0.697 530 HG22 VAL 69 1HG2 VAL 69 -4.165 1.090 0.976 531 HG23 VAL 69 2HG2 VAL 69 -3.033 1.683 -0.238 532 H GLU 70 H GLU 70 -2.597 6.018 1.090 533 HA GLU 70 HA GLU 70 -4.067 7.502 2.979 534 HB2 GLU 70 1HB GLU 70 -2.379 8.285 0.618 535 HB3 GLU 70 2HB GLU 70 -3.193 9.488 1.611 536 HG2 GLU 70 1HG GLU 70 -1.246 7.437 2.644 537 HG3 GLU 70 2HG GLU 70 -0.847 9.113 2.263 538 HA PRO 71 HA PRO 71 -8.050 7.696 1.182 539 HB2 PRO 71 1HB PRO 71 -8.707 10.195 2.261 540 HB3 PRO 71 2HB PRO 71 -8.964 8.628 3.031 541 HG2 PRO 71 1HG PRO 71 -6.749 10.587 3.410 542 HG3 PRO 71 2HG PRO 71 -7.545 9.543 4.603 543 HD2 PRO 71 1HD PRO 71 -5.121 8.948 3.663 544 HD3 PRO 71 2HD PRO 71 -6.320 7.671 3.964 545 H ILE 72 H ILE 72 -8.924 8.433 -0.640 546 HA ILE 72 HA ILE 72 -7.379 10.343 -2.200 547 HB ILE 72 HB ILE 72 -9.809 8.766 -3.064 548 HG12 ILE 72 1HG1 ILE 72 -8.055 7.227 -2.278 549 HG13 ILE 72 2HG1 ILE 72 -8.265 7.121 -4.021 550 HG21 ILE 72 1HG2 ILE 72 -7.608 10.087 -4.643 551 HG22 ILE 72 2HG2 ILE 72 -9.270 10.656 -4.489 552 HG23 ILE 72 3HG2 ILE 72 -8.930 9.137 -5.320 553 HD11 ILE 72 3HD1 ILE 72 -6.276 8.494 -4.344 554 HD12 ILE 72 1HD1 ILE 72 -5.921 7.045 -3.404 555 HD13 ILE 72 2HD1 ILE 72 -6.069 8.606 -2.597 556 HA PRO 73 HA PRO 73 -10.298 13.623 -1.241 557 HB2 PRO 73 1HB PRO 73 -9.411 15.341 -3.191 558 HB3 PRO 73 2HB PRO 73 -8.652 15.168 -1.606 559 HG2 PRO 73 1HG PRO 73 -7.863 13.967 -4.227 560 HG3 PRO 73 2HG PRO 73 -6.837 14.653 -2.953 561 HD2 PRO 73 1HD PRO 73 -7.143 11.994 -3.265 562 HD3 PRO 73 2HD PRO 73 -6.939 12.737 -1.665 563 H ASN 74 H ASN 74 -12.322 13.799 -1.913 564 HA ASN 74 HA ASN 74 -14.172 13.961 -3.210 565 HB2 ASN 74 1HB ASN 74 -12.880 15.390 -4.724 566 HB3 ASN 74 2HB ASN 74 -12.269 13.969 -5.562 567 HD21 ASN 74 2HD2 ASN 74 -13.565 12.929 -7.037 568 HD22 ASN 74 1HD2 ASN 74 -15.098 13.548 -7.557 569 H ILE 75 H ILE 75 -11.807 11.627 -4.441 570 HA ILE 75 HA ILE 75 -13.885 9.871 -5.432 571 HB ILE 75 HB ILE 75 -10.891 9.491 -5.245 572 HG12 ILE 75 1HG1 ILE 75 -12.667 10.183 -7.592 573 HG13 ILE 75 2HG1 ILE 75 -11.595 11.301 -6.755 574 HG21 ILE 75 1HG2 ILE 75 -12.032 7.339 -5.264 575 HG22 ILE 75 2HG2 ILE 75 -11.198 7.619 -6.793 576 HG23 ILE 75 3HG2 ILE 75 -12.947 7.824 -6.692 577 HD11 ILE 75 3HD1 ILE 75 -9.673 9.977 -7.456 578 HD12 ILE 75 1HD1 ILE 75 -10.621 10.534 -8.834 579 HD13 ILE 75 2HD1 ILE 75 -10.750 8.860 -8.294 580 H LYS 76 H LYS 76 -14.532 7.951 -4.544 581 HA LYS 76 HA LYS 76 -13.875 7.573 -1.720 582 HB2 LYS 76 1HB LYS 76 -16.234 7.690 -2.272 583 HB3 LYS 76 2HB LYS 76 -16.052 6.419 -3.471 584 HG2 LYS 76 1HG LYS 76 -15.412 4.872 -1.617 585 HG3 LYS 76 2HG LYS 76 -15.841 6.156 -0.483 586 HD2 LYS 76 1HD LYS 76 -18.112 6.196 -1.375 587 HD3 LYS 76 2HD LYS 76 -17.686 4.936 -2.534 588 HE2 LYS 76 1HE LYS 76 -18.850 3.934 -0.691 589 HE3 LYS 76 2HE LYS 76 -17.160 3.435 -0.636 590 HZ1 LYS 76 3HZ LYS 76 -16.762 5.118 1.059 591 HZ2 LYS 76 1HZ LYS 76 -17.968 4.033 1.552 592 HZ3 LYS 76 2HZ LYS 76 -18.391 5.582 1.005 593 H ILE 77 H ILE 77 -12.514 6.011 -1.083 594 HA ILE 77 HA ILE 77 -11.653 4.020 -3.018 595 HB ILE 77 HB ILE 77 -9.903 5.096 -1.714 596 HG12 ILE 77 1HG1 ILE 77 -10.249 2.202 -0.901 597 HG13 ILE 77 2HG1 ILE 77 -9.606 2.752 -2.445 598 HG21 ILE 77 1HG2 ILE 77 -11.149 5.618 0.305 599 HG22 ILE 77 2HG2 ILE 77 -9.675 4.731 0.696 600 HG23 ILE 77 3HG2 ILE 77 -11.232 3.904 0.713 601 HD11 ILE 77 3HD1 ILE 77 -7.729 3.796 -1.289 602 HD12 ILE 77 1HD1 ILE 77 -7.830 2.071 -0.943 603 HD13 ILE 77 2HD1 ILE 77 -8.375 3.244 0.256 604 H VAL 78 H VAL 78 -12.449 2.058 -3.123 605 HA VAL 78 HA VAL 78 -14.542 1.305 -1.267 606 HB VAL 78 HB VAL 78 -13.550 -0.185 -3.701 607 HG11 VAL 78 1HG1 VAL 78 -16.131 -0.385 -2.159 608 HG12 VAL 78 2HG1 VAL 78 -14.829 -1.577 -2.193 609 HG13 VAL 78 3HG1 VAL 78 -15.760 -1.245 -3.653 610 HG21 VAL 78 3HG2 VAL 78 -14.262 2.032 -4.356 611 HG22 VAL 78 1HG2 VAL 78 -15.781 1.831 -3.481 612 HG23 VAL 78 2HG2 VAL 78 -15.438 0.833 -4.895 613 H GLU 79 H GLU 79 -11.704 -0.369 -2.644 614 HA GLU 79 HA GLU 79 -11.622 -2.006 -0.198 615 HB2 GLU 79 1HB GLU 79 -12.820 -3.128 -2.118 616 HB3 GLU 79 2HB GLU 79 -11.296 -3.093 -2.993 617 HG2 GLU 79 1HG GLU 79 -10.268 -4.464 -1.248 618 HG3 GLU 79 2HG GLU 79 -11.809 -4.515 -0.392 619 H ILE 80 H ILE 80 -9.638 -2.415 0.578 620 HA ILE 80 HA ILE 80 -7.337 -1.527 -1.008 621 HB ILE 80 HB ILE 80 -7.525 -2.043 1.966 622 HG12 ILE 80 1HG1 ILE 80 -7.303 0.554 0.426 623 HG13 ILE 80 2HG1 ILE 80 -8.753 -0.034 1.230 624 HG21 ILE 80 1HG2 ILE 80 -5.297 -2.519 1.116 625 HG22 ILE 80 2HG2 ILE 80 -5.287 -1.042 2.079 626 HG23 ILE 80 3HG2 ILE 80 -5.249 -0.947 0.318 627 HD11 ILE 80 3HD1 ILE 80 -7.620 0.118 3.385 628 HD12 ILE 80 1HD1 ILE 80 -7.641 1.671 2.549 629 HD13 ILE 80 2HD1 ILE 80 -6.166 0.705 2.577 630 H SER 81 H SER 81 -6.509 -3.174 -2.148 631 HA SER 81 HA SER 81 -5.867 -5.634 -0.696 632 HB2 SER 81 1HB SER 81 -6.432 -6.893 -2.853 633 HB3 SER 81 2HB SER 81 -7.792 -6.309 -1.896 634 HG SER 81 HG SER 81 -6.838 -4.548 -3.814 635 HA PRO 82 HA PRO 82 -4.464 -7.251 -0.629 636 HB2 PRO 82 1HB PRO 82 -1.781 -6.682 0.422 637 HB3 PRO 82 2HB PRO 82 -2.449 -8.204 -0.177 638 HG2 PRO 82 1HG PRO 82 -0.574 -6.835 -1.540 639 HG3 PRO 82 2HG PRO 82 -1.842 -7.766 -2.357 640 HD2 PRO 82 1HD PRO 82 -1.668 -4.812 -1.880 641 HD3 PRO 82 2HD PRO 82 -2.187 -5.689 -3.335 642 H ARG 83 H ARG 83 -4.720 -7.242 1.637 643 HA ARG 83 HA ARG 83 -5.338 -4.592 2.645 644 HB2 ARG 83 1HB ARG 83 -5.755 -7.244 4.030 645 HB3 ARG 83 2HB ARG 83 -6.616 -5.735 4.312 646 HG2 ARG 83 1HG ARG 83 -7.812 -5.914 2.304 647 HG3 ARG 83 2HG ARG 83 -6.727 -7.151 1.671 648 HD2 ARG 83 1HD ARG 83 -7.519 -8.630 3.556 649 HD3 ARG 83 2HD ARG 83 -8.764 -7.418 3.867 650 HE ARG 83 HE ARG 83 -9.093 -7.894 1.242 651 HH11 ARG 83 1HH1 ARG 83 -8.781 -10.074 3.967 652 HH12 ARG 83 2HH1 ARG 83 -9.772 -11.311 3.259 653 HH21 ARG 83 1HH2 ARG 83 -10.428 -9.492 0.325 654 HH22 ARG 83 2HH2 ARG 83 -10.722 -10.974 1.186 655 H VAL 84 H VAL 84 -3.245 -7.306 3.343 656 HA VAL 84 HA VAL 84 -1.599 -5.600 5.075 657 HB VAL 84 HB VAL 84 -2.392 -8.450 5.745 658 HG11 VAL 84 1HG1 VAL 84 -0.116 -7.949 6.438 659 HG12 VAL 84 2HG1 VAL 84 -1.180 -8.087 7.839 660 HG13 VAL 84 3HG1 VAL 84 -0.676 -6.495 7.267 661 HG21 VAL 84 3HG2 VAL 84 -3.544 -7.494 7.678 662 HG22 VAL 84 1HG2 VAL 84 -4.223 -6.902 6.162 663 HG23 VAL 84 2HG2 VAL 84 -3.150 -5.871 7.110 664 H VAL 85 H VAL 85 0.616 -6.015 4.890 665 HA VAL 85 HA VAL 85 1.343 -8.110 2.944 666 HB VAL 85 HB VAL 85 3.339 -6.710 2.379 667 HG11 VAL 85 1HG1 VAL 85 0.643 -5.469 1.842 668 HG12 VAL 85 2HG1 VAL 85 1.396 -6.772 0.920 669 HG13 VAL 85 3HG1 VAL 85 2.118 -5.162 0.923 670 HG21 VAL 85 3HG2 VAL 85 3.413 -5.311 4.364 671 HG22 VAL 85 1HG2 VAL 85 1.857 -4.597 3.941 672 HG23 VAL 85 2HG2 VAL 85 3.265 -4.313 2.918 673 H THR 86 H THR 86 3.006 -9.455 3.410 674 HA THR 86 HA THR 86 3.984 -9.402 6.162 675 HB THR 86 HB THR 86 4.538 -11.527 4.088 676 HG1 THR 86 HG1 THR 86 2.324 -11.322 5.900 677 HG21 THR 86 3HG2 THR 86 4.460 -11.580 7.108 678 HG22 THR 86 1HG2 THR 86 5.912 -11.605 6.107 679 HG23 THR 86 2HG2 THR 86 4.789 -12.964 6.064 680 H LEU 87 H LEU 87 5.710 -8.130 6.434 681 HA LEU 87 HA LEU 87 7.736 -8.035 4.306 682 HB2 LEU 87 1HB LEU 87 7.228 -6.109 6.577 683 HB3 LEU 87 2HB LEU 87 8.478 -5.934 5.360 684 HG LEU 87 HG LEU 87 5.504 -5.890 4.829 685 HD11 LEU 87 1HD1 LEU 87 6.265 -3.911 6.031 686 HD12 LEU 87 2HD1 LEU 87 5.848 -3.518 4.363 687 HD13 LEU 87 3HD1 LEU 87 7.540 -3.666 4.837 688 HD21 LEU 87 3HD2 LEU 87 7.850 -5.417 2.992 689 HD22 LEU 87 1HD2 LEU 87 6.154 -5.179 2.573 690 HD23 LEU 87 2HD2 LEU 87 6.751 -6.795 2.946 691 H GLN 88 H GLN 88 9.606 -9.013 4.629 692 HA GLN 88 HA GLN 88 10.280 -10.012 7.266 693 HB2 GLN 88 1HB GLN 88 10.625 -11.428 5.266 694 HB3 GLN 88 2HB GLN 88 11.792 -10.259 4.657 695 HG2 GLN 88 1HG GLN 88 13.147 -10.660 6.716 696 HG3 GLN 88 2HG GLN 88 12.032 -11.962 7.126 697 HE21 GLN 88 2HE2 GLN 88 14.887 -12.066 6.560 698 HE22 GLN 88 1HE2 GLN 88 15.077 -13.154 5.228 699 H LEU 89 H LEU 89 10.898 -8.335 8.542 700 HA LEU 89 HA LEU 89 12.962 -6.523 7.600 701 HB2 LEU 89 1HB LEU 89 11.599 -6.756 10.285 702 HB3 LEU 89 2HB LEU 89 12.802 -5.546 9.882 703 HG LEU 89 HG LEU 89 10.085 -5.836 8.611 704 HD11 LEU 89 1HD1 LEU 89 9.997 -4.942 10.876 705 HD12 LEU 89 2HD1 LEU 89 9.622 -3.690 9.691 706 HD13 LEU 89 3HD1 LEU 89 11.211 -3.733 10.454 707 HD21 LEU 89 3HD2 LEU 89 12.251 -3.798 8.125 708 HD22 LEU 89 1HD2 LEU 89 10.624 -3.758 7.444 709 HD23 LEU 89 2HD2 LEU 89 11.735 -5.055 7.000 710 H GLU 90 H GLU 90 15.048 -6.579 8.207 711 HA GLU 90 HA GLU 90 15.863 -8.813 9.942 712 HB2 GLU 90 1HB GLU 90 16.496 -8.420 7.229 713 HB3 GLU 90 2HB GLU 90 17.952 -7.997 8.123 714 HG2 GLU 90 1HG GLU 90 16.454 -10.567 8.549 715 HG3 GLU 90 2HG GLU 90 17.755 -10.392 7.374 716 H HIS 91 H HIS 91 18.235 -8.404 10.654 717 HA HIS 91 HA HIS 91 18.147 -5.900 12.101 718 HB2 HIS 91 1HB HIS 91 20.140 -8.176 12.179 719 HB3 HIS 91 2HB HIS 91 20.125 -6.806 13.281 720 HD1 HIS 91 HD1 HIS 91 17.985 -9.788 12.320 721 HD2 HIS 91 HD2 HIS 91 18.538 -7.128 15.475 722 HE1 HIS 91 HE1 HIS 91 16.566 -10.663 14.207 723 HE2 HIS 91 HE2 HIS 91 17.095 -9.161 16.163 724 H HIS 92 H HIS 92 19.403 -4.146 11.748 725 HA HIS 92 HA HIS 92 21.048 -3.987 9.407 726 HB2 HIS 92 1HB HIS 92 19.774 -2.051 10.353 727 HB3 HIS 92 2HB HIS 92 20.865 -2.050 11.731 728 HD1 HIS 92 HD1 HIS 92 20.843 -1.361 8.004 729 HD2 HIS 92 HD2 HIS 92 23.226 -0.701 11.353 730 HE1 HIS 92 HE1 HIS 92 22.653 0.211 7.254 731 HE2 HIS 92 HE2 HIS 92 23.982 0.723 9.333 732 H HIS 93 H HIS 93 21.505 -5.448 12.276 733 HA HIS 93 HA HIS 93 24.411 -5.026 12.310 734 HB2 HIS 93 1HB HIS 93 22.707 -6.497 14.338 735 HB3 HIS 93 2HB HIS 93 24.407 -6.083 14.498 736 HD1 HIS 93 HD1 HIS 93 24.874 -3.381 14.611 737 HD2 HIS 93 HD2 HIS 93 21.012 -4.696 15.429 738 HE1 HIS 93 HE1 HIS 93 23.758 -1.494 15.852 739 HE2 HIS 93 HE2 HIS 93 21.493 -2.397 16.511 740 H HIS 94 H HIS 94 25.749 -6.678 11.699 741 HA HIS 94 HA HIS 94 24.477 -9.021 10.526 742 HB2 HIS 94 1HB HIS 94 27.247 -7.867 10.410 743 HB3 HIS 94 2HB HIS 94 26.952 -9.524 9.893 744 HD1 HIS 94 HD1 HIS 94 26.799 -9.595 7.438 745 HD2 HIS 94 HD2 HIS 94 25.028 -6.166 8.992 746 HE1 HIS 94 HE1 HIS 94 25.858 -8.359 5.460 747 HE2 HIS 94 HE2 HIS 94 24.610 -6.405 6.450 748 H HIS 95 H HIS 95 24.840 -8.471 13.485 749 HA HIS 95 HA HIS 95 26.002 -11.095 14.184 750 HB2 HIS 95 1HB HIS 95 25.683 -8.716 16.035 751 HB3 HIS 95 2HB HIS 95 26.519 -10.223 16.383 752 HD1 HIS 95 HD1 HIS 95 27.253 -6.876 15.676 753 HD2 HIS 95 HD2 HIS 95 28.782 -10.490 14.296 754 HE1 HIS 95 HE1 HIS 95 29.528 -6.340 14.738 755 HE2 HIS 95 HE2 HIS 95 30.336 -8.503 13.727 756 H HIS 96 H HIS 96 23.329 -10.307 13.238 757 HA HIS 96 HA HIS 96 21.119 -10.531 13.646 758 HB2 HIS 96 1HB HIS 96 22.055 -12.137 16.039 759 HB3 HIS 96 2HB HIS 96 20.380 -12.011 15.520 760 HD1 HIS 96 HD1 HIS 96 19.977 -12.933 12.945 761 HD2 HIS 96 HD2 HIS 96 23.374 -14.232 14.969 762 HE1 HIS 96 HE1 HIS 96 20.720 -15.020 11.758 763 HE2 HIS 96 HE2 HIS 96 22.630 -15.911 13.143
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