NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
144362 | 2kk1 | 16349 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -12.531 23.352 -30.899 2 H2 MET 1 2H MET 1 -12.591 22.086 -29.778 3 H3 MET 1 3H MET 1 -11.140 22.911 -30.045 4 HA MET 1 HA MET 1 -12.154 23.594 -27.969 5 HB2 MET 1 2HB MET 1 -12.229 25.736 -30.116 6 HB3 MET 1 3HB MET 1 -12.153 26.037 -28.386 7 HG2 MET 1 2HG MET 1 -9.970 26.304 -29.353 8 HG3 MET 1 3HG MET 1 -9.979 24.890 -28.301 9 HE1 MET 1 3HE MET 1 -11.308 25.374 -32.014 10 HE2 MET 1 1HE MET 1 -9.924 24.763 -32.917 11 HE3 MET 1 2HE MET 1 -9.772 26.236 -31.955 12 H GLY 2 H GLY 2 -13.887 24.565 -26.835 13 HA2 GLY 2 2HA GLY 2 -16.363 25.241 -28.172 14 HA3 GLY 2 3HA GLY 2 -16.435 23.718 -27.295 15 H HIS 3 H HIS 3 -17.363 26.778 -26.992 16 HA HIS 3 HA HIS 3 -16.529 27.083 -24.178 17 HB2 HIS 3 2HB HIS 3 -17.551 29.159 -26.132 18 HB3 HIS 3 3HB HIS 3 -17.126 29.479 -24.454 19 HD1 HIS 3 HD1 HIS 3 -15.747 29.825 -27.688 20 HD2 HIS 3 HD2 HIS 3 -14.232 28.566 -24.028 21 HE1 HIS 3 HE1 HIS 3 -13.258 30.061 -27.874 22 HE2 HIS 3 HE2 HIS 3 -12.357 29.121 -25.723 23 H HIS 4 H HIS 4 -19.024 25.702 -25.630 24 HA HIS 4 HA HIS 4 -21.157 26.902 -24.018 25 HB2 HIS 4 2HB HIS 4 -21.170 24.607 -26.001 26 HB3 HIS 4 3HB HIS 4 -22.587 25.112 -25.089 27 HD1 HIS 4 HD1 HIS 4 -22.681 25.178 -28.123 28 HD2 HIS 4 HD2 HIS 4 -21.546 28.420 -25.791 29 HE1 HIS 4 HE1 HIS 4 -23.096 27.200 -29.544 30 HE2 HIS 4 HE2 HIS 4 -22.646 29.142 -28.017 31 H HIS 5 H HIS 5 -20.276 23.499 -24.558 32 HA HIS 5 HA HIS 5 -20.866 22.902 -21.743 33 HB2 HIS 5 2HB HIS 5 -20.458 21.049 -24.107 34 HB3 HIS 5 3HB HIS 5 -20.901 20.543 -22.483 35 HD1 HIS 5 HD1 HIS 5 -22.302 22.037 -25.592 36 HD2 HIS 5 HD2 HIS 5 -23.579 21.023 -21.772 37 HE1 HIS 5 HE1 HIS 5 -24.806 22.126 -25.677 38 HE2 HIS 5 HE2 HIS 5 -25.550 21.315 -23.420 39 H HIS 6 H HIS 6 -18.648 24.162 -21.517 40 HA HIS 6 HA HIS 6 -16.282 22.782 -22.315 41 HB2 HIS 6 2HB HIS 6 -16.253 25.198 -22.080 42 HB3 HIS 6 3HB HIS 6 -16.641 25.069 -20.368 43 HD1 HIS 6 HD1 HIS 6 -14.637 25.567 -19.028 44 HD2 HIS 6 HD2 HIS 6 -13.677 23.480 -22.492 45 HE1 HIS 6 HE1 HIS 6 -12.155 25.203 -18.930 46 HE2 HIS 6 HE2 HIS 6 -11.641 23.763 -20.927 47 H HIS 7 H HIS 7 -16.571 20.689 -21.453 48 HA HIS 7 HA HIS 7 -15.265 20.436 -18.875 49 HB2 HIS 7 2HB HIS 7 -18.065 19.481 -19.364 50 HB3 HIS 7 3HB HIS 7 -17.008 18.513 -18.343 51 HD1 HIS 7 HD1 HIS 7 -19.226 21.402 -18.255 52 HD2 HIS 7 HD2 HIS 7 -16.002 20.008 -16.033 53 HE1 HIS 7 HE1 HIS 7 -19.314 22.652 -16.081 54 HE2 HIS 7 HE2 HIS 7 -17.412 21.727 -14.718 55 H HIS 8 H HIS 8 -13.548 19.254 -19.392 56 HA HIS 8 HA HIS 8 -13.632 17.313 -21.546 57 HB2 HIS 8 2HB HIS 8 -11.698 18.777 -21.348 58 HB3 HIS 8 3HB HIS 8 -11.384 18.197 -19.717 59 HD1 HIS 8 HD1 HIS 8 -11.535 16.785 -23.252 60 HD2 HIS 8 HD2 HIS 8 -9.594 16.157 -19.630 61 HE1 HIS 8 HE1 HIS 8 -9.871 14.957 -23.687 62 HE2 HIS 8 HE2 HIS 8 -8.837 14.481 -21.444 63 H SER 9 H SER 9 -13.630 15.126 -21.362 64 HA SER 9 HA SER 9 -13.753 13.028 -20.495 65 HB2 SER 9 2HB SER 9 -12.122 14.212 -18.229 66 HB3 SER 9 3HB SER 9 -12.354 12.489 -18.525 67 HG SER 9 HG SER 9 -10.391 13.213 -19.416 68 H HIS 10 H HIS 10 -15.989 14.698 -19.983 69 HA HIS 10 HA HIS 10 -16.734 14.250 -17.207 70 HB2 HIS 10 2HB HIS 10 -18.717 15.554 -17.647 71 HB3 HIS 10 3HB HIS 10 -17.323 16.389 -18.312 72 HD1 HIS 10 HD1 HIS 10 -20.579 14.931 -19.212 73 HD2 HIS 10 HD2 HIS 10 -17.240 16.407 -21.188 74 HE1 HIS 10 HE1 HIS 10 -21.319 15.326 -21.573 75 HE2 HIS 10 HE2 HIS 10 -19.337 16.376 -22.705 76 H MET 11 H MET 11 -16.678 11.946 -17.248 77 HA MET 11 HA MET 11 -18.492 10.394 -18.807 78 HB2 MET 11 2HB MET 11 -17.121 9.748 -16.184 79 HB3 MET 11 3HB MET 11 -17.989 8.582 -17.174 80 HG2 MET 11 2HG MET 11 -16.398 8.941 -18.996 81 HG3 MET 11 3HG MET 11 -15.528 10.113 -18.007 82 HE1 MET 11 3HE MET 11 -14.264 9.480 -15.749 83 HE2 MET 11 1HE MET 11 -14.154 7.840 -15.109 84 HE3 MET 11 2HE MET 11 -15.702 8.683 -15.109 85 H ALA 12 H ALA 12 -20.582 9.782 -18.420 86 HA ALA 12 HA ALA 12 -22.100 11.418 -16.635 87 HB1 ALA 12 3HB ALA 12 -24.053 10.269 -17.524 88 HB2 ALA 12 1HB ALA 12 -23.013 9.065 -18.286 89 HB3 ALA 12 2HB ALA 12 -22.960 10.743 -18.827 90 H ASN 13 H ASN 13 -21.129 10.808 -14.609 91 HA ASN 13 HA ASN 13 -21.584 8.176 -13.536 92 HB2 ASN 13 2HB ASN 13 -20.750 9.191 -11.401 93 HB3 ASN 13 3HB ASN 13 -19.647 9.370 -12.760 94 HD21 ASN 13 1HD2 ASN 13 -19.395 11.432 -13.701 95 HD22 ASN 13 2HD2 ASN 13 -19.832 12.867 -12.843 96 H GLY 14 H GLY 14 -23.587 7.510 -13.057 97 HA2 GLY 14 2HA GLY 14 -25.253 9.090 -11.274 98 HA3 GLY 14 3HA GLY 14 -25.913 8.872 -12.886 99 H ALA 15 H ALA 15 -24.749 7.116 -10.039 100 HA ALA 15 HA ALA 15 -26.883 5.145 -10.462 101 HB1 ALA 15 3HB ALA 15 -25.433 3.262 -10.021 102 HB2 ALA 15 1HB ALA 15 -24.050 4.336 -9.800 103 HB3 ALA 15 2HB ALA 15 -24.800 4.180 -11.388 104 H ALA 16 H ALA 16 -27.992 6.177 -8.770 105 HA ALA 16 HA ALA 16 -26.827 6.666 -6.214 106 HB1 ALA 16 3HB ALA 16 -28.712 7.976 -7.069 107 HB2 ALA 16 1HB ALA 16 -29.085 7.248 -5.506 108 HB3 ALA 16 2HB ALA 16 -29.743 6.547 -6.986 109 H GLY 17 H GLY 17 -25.937 4.679 -5.507 110 HA2 GLY 17 2HA GLY 17 -25.989 2.861 -4.092 111 HA3 GLY 17 3HA GLY 17 -27.715 3.093 -3.917 112 H THR 18 H THR 18 -27.865 2.853 -6.979 113 HA THR 18 HA THR 18 -28.851 0.283 -7.152 114 HB THR 18 HB THR 18 -27.663 1.842 -9.465 115 HG1 THR 18 HG1 THR 18 -29.980 2.492 -9.652 116 HG21 THR 18 3HG2 THR 18 -28.209 -0.479 -10.034 117 HG22 THR 18 1HG2 THR 18 -29.326 0.638 -10.818 118 HG23 THR 18 2HG2 THR 18 -29.837 -0.262 -9.389 119 H LYS 19 H LYS 19 -25.544 1.363 -7.764 120 HA LYS 19 HA LYS 19 -24.739 -1.187 -8.878 121 HB2 LYS 19 2HB LYS 19 -22.487 -0.136 -9.027 122 HB3 LYS 19 3HB LYS 19 -23.752 0.784 -9.826 123 HG2 LYS 19 2HG LYS 19 -22.656 2.479 -8.774 124 HG3 LYS 19 3HG LYS 19 -23.820 2.065 -7.516 125 HD2 LYS 19 2HD LYS 19 -22.147 0.741 -6.358 126 HD3 LYS 19 3HD LYS 19 -20.981 1.029 -7.651 127 HE2 LYS 19 2HE LYS 19 -22.212 3.197 -5.942 128 HE3 LYS 19 3HE LYS 19 -20.640 2.464 -5.640 129 HZ1 LYS 19 3HZ LYS 19 -20.465 4.564 -6.840 130 HZ2 LYS 19 1HZ LYS 19 -21.385 3.937 -8.111 131 HZ3 LYS 19 2HZ LYS 19 -19.868 3.282 -7.765 132 H VAL 20 H VAL 20 -25.355 -0.327 -5.794 133 HA VAL 20 HA VAL 20 -23.278 -2.129 -4.710 134 HB VAL 20 HB VAL 20 -24.798 0.059 -3.262 135 HG11 VAL 20 1HG1 VAL 20 -23.352 -0.492 -1.333 136 HG12 VAL 20 2HG1 VAL 20 -22.714 -1.875 -2.224 137 HG13 VAL 20 3HG1 VAL 20 -24.418 -1.827 -1.773 138 HG21 VAL 20 3HG2 VAL 20 -21.874 -0.154 -3.993 139 HG22 VAL 20 1HG2 VAL 20 -22.600 1.127 -3.020 140 HG23 VAL 20 2HG2 VAL 20 -23.054 0.942 -4.714 141 H ALA 21 H ALA 21 -24.286 -4.090 -4.839 142 HA ALA 21 HA ALA 21 -26.704 -4.432 -3.199 143 HB1 ALA 21 3HB ALA 21 -27.714 -5.911 -4.855 144 HB2 ALA 21 1HB ALA 21 -26.354 -5.639 -5.948 145 HB3 ALA 21 2HB ALA 21 -27.436 -4.308 -5.534 146 H LEU 22 H LEU 22 -25.047 -6.810 -5.246 147 HA LEU 22 HA LEU 22 -24.850 -8.550 -2.912 148 HB2 LEU 22 2HB LEU 22 -24.462 -9.131 -5.850 149 HB3 LEU 22 3HB LEU 22 -24.396 -10.330 -4.571 150 HG LEU 22 HG LEU 22 -26.826 -8.698 -5.333 151 HD11 LEU 22 1HD1 LEU 22 -27.753 -10.835 -6.087 152 HD12 LEU 22 2HD1 LEU 22 -26.217 -11.628 -5.733 153 HD13 LEU 22 3HD1 LEU 22 -26.306 -10.394 -6.992 154 HD21 LEU 22 3HD2 LEU 22 -28.032 -10.119 -3.741 155 HD22 LEU 22 1HD2 LEU 22 -26.787 -9.161 -2.942 156 HD23 LEU 22 2HD2 LEU 22 -26.512 -10.873 -3.260 157 H ARG 23 H ARG 23 -22.855 -6.276 -3.856 158 HA ARG 23 HA ARG 23 -20.367 -7.549 -4.268 159 HB2 ARG 23 2HB ARG 23 -20.883 -5.090 -4.618 160 HB3 ARG 23 3HB ARG 23 -20.759 -4.894 -2.875 161 HG2 ARG 23 2HG ARG 23 -18.435 -5.736 -2.974 162 HG3 ARG 23 3HG ARG 23 -18.573 -5.830 -4.730 163 HD2 ARG 23 2HD ARG 23 -19.019 -3.386 -4.780 164 HD3 ARG 23 3HD ARG 23 -18.756 -3.334 -3.034 165 HE ARG 23 HE ARG 23 -16.722 -3.832 -5.095 166 HH11 ARG 23 1HH1 ARG 23 -17.513 -3.315 -1.774 167 HH12 ARG 23 2HH1 ARG 23 -15.858 -3.099 -1.309 168 HH21 ARG 23 1HH2 ARG 23 -14.621 -3.540 -4.489 169 HH22 ARG 23 2HH2 ARG 23 -14.244 -3.204 -2.831 170 H LYS 24 H LYS 24 -22.343 -7.397 -1.517 171 HA LYS 24 HA LYS 24 -20.539 -7.545 0.615 172 HB2 LYS 24 2HB LYS 24 -23.183 -9.008 0.332 173 HB3 LYS 24 3HB LYS 24 -22.349 -8.668 1.840 174 HG2 LYS 24 2HG LYS 24 -23.163 -6.403 0.060 175 HG3 LYS 24 3HG LYS 24 -24.370 -7.196 1.066 176 HD2 LYS 24 2HD LYS 24 -23.554 -5.280 2.253 177 HD3 LYS 24 3HD LYS 24 -22.934 -6.720 3.059 178 HE2 LYS 24 2HE LYS 24 -20.765 -6.405 2.032 179 HE3 LYS 24 3HE LYS 24 -21.375 -5.053 1.076 180 HZ1 LYS 24 3HZ LYS 24 -21.701 -3.790 3.066 181 HZ2 LYS 24 1HZ LYS 24 -20.113 -4.359 3.049 182 HZ3 LYS 24 2HZ LYS 24 -21.263 -5.097 4.041 183 H THR 25 H THR 25 -21.776 -10.081 -1.538 184 HA THR 25 HA THR 25 -19.729 -11.932 -0.474 185 HB THR 25 HB THR 25 -21.177 -13.805 -1.186 186 HG1 THR 25 HG1 THR 25 -23.013 -13.470 -2.240 187 HG21 THR 25 3HG2 THR 25 -22.598 -11.853 0.637 188 HG22 THR 25 1HG2 THR 25 -21.339 -12.987 1.126 189 HG23 THR 25 2HG2 THR 25 -22.893 -13.591 0.551 190 H LYS 26 H LYS 26 -19.741 -13.863 -2.375 191 HA LYS 26 HA LYS 26 -18.729 -12.456 -4.758 192 HB2 LYS 26 2HB LYS 26 -18.066 -15.236 -3.750 193 HB3 LYS 26 3HB LYS 26 -17.324 -14.431 -5.124 194 HG2 LYS 26 2HG LYS 26 -17.120 -13.594 -2.233 195 HG3 LYS 26 3HG LYS 26 -15.854 -14.349 -3.201 196 HD2 LYS 26 2HD LYS 26 -15.856 -12.378 -4.698 197 HD3 LYS 26 3HD LYS 26 -17.086 -11.626 -3.682 198 HE2 LYS 26 2HE LYS 26 -14.292 -12.391 -2.824 199 HE3 LYS 26 3HE LYS 26 -14.865 -10.758 -3.156 200 HZ1 LYS 26 3HZ LYS 26 -14.852 -11.165 -0.802 201 HZ2 LYS 26 1HZ LYS 26 -15.818 -12.544 -0.984 202 HZ3 LYS 26 2HZ LYS 26 -16.451 -11.013 -1.325 203 H GLN 27 H GLN 27 -18.619 -14.585 -6.557 204 HA GLN 27 HA GLN 27 -21.221 -15.808 -6.782 205 HB2 GLN 27 2HB GLN 27 -21.798 -14.733 -8.961 206 HB3 GLN 27 3HB GLN 27 -21.871 -13.644 -7.583 207 HG2 GLN 27 2HG GLN 27 -19.773 -12.635 -8.202 208 HG3 GLN 27 3HG GLN 27 -19.548 -13.812 -9.496 209 HE21 GLN 27 1HE2 GLN 27 -20.738 -13.602 -11.389 210 HE22 GLN 27 2HE2 GLN 27 -21.607 -12.160 -11.780 211 H ALA 28 H ALA 28 -18.337 -14.914 -8.708 212 HA ALA 28 HA ALA 28 -17.697 -17.645 -9.262 213 HB1 ALA 28 3HB ALA 28 -19.558 -17.380 -10.841 214 HB2 ALA 28 1HB ALA 28 -18.027 -17.599 -11.689 215 HB3 ALA 28 2HB ALA 28 -18.745 -15.993 -11.568 216 H ALA 29 H ALA 29 -15.533 -17.656 -9.292 217 HA ALA 29 HA ALA 29 -13.888 -15.461 -9.121 218 HB1 ALA 29 3HB ALA 29 -13.218 -17.739 -8.520 219 HB2 ALA 29 1HB ALA 29 -12.023 -16.967 -9.564 220 HB3 ALA 29 2HB ALA 29 -13.134 -18.165 -10.231 221 H GLU 30 H GLU 30 -14.975 -17.062 -12.049 222 HA GLU 30 HA GLU 30 -13.192 -15.944 -13.907 223 HB2 GLU 30 2HB GLU 30 -16.071 -16.820 -14.247 224 HB3 GLU 30 3HB GLU 30 -15.007 -16.413 -15.583 225 HG2 GLU 30 2HG GLU 30 -15.186 -18.826 -15.272 226 HG3 GLU 30 3HG GLU 30 -13.536 -18.261 -15.024 227 H LYS 31 H LYS 31 -16.217 -14.694 -12.572 228 HA LYS 31 HA LYS 31 -16.120 -12.310 -14.256 229 HB2 LYS 31 2HB LYS 31 -18.275 -13.505 -13.800 230 HB3 LYS 31 3HB LYS 31 -18.124 -13.046 -12.109 231 HG2 LYS 31 2HG LYS 31 -19.656 -11.561 -13.233 232 HG3 LYS 31 3HG LYS 31 -18.207 -10.668 -12.769 233 HD2 LYS 31 2HD LYS 31 -17.352 -10.834 -15.046 234 HD3 LYS 31 3HD LYS 31 -18.750 -11.796 -15.523 235 HE2 LYS 31 2HE LYS 31 -19.021 -9.500 -16.256 236 HE3 LYS 31 3HE LYS 31 -20.220 -9.889 -15.024 237 HZ1 LYS 31 3HZ LYS 31 -17.689 -8.416 -14.526 238 HZ2 LYS 31 1HZ LYS 31 -18.907 -8.718 -13.394 239 HZ3 LYS 31 2HZ LYS 31 -19.207 -7.699 -14.707 240 H ILE 32 H ILE 32 -15.310 -13.286 -11.026 241 HA ILE 32 HA ILE 32 -15.453 -10.727 -9.767 242 HB ILE 32 HB ILE 32 -13.884 -13.192 -8.978 243 HG12 ILE 32 2HG1 ILE 32 -16.536 -12.142 -7.943 244 HG13 ILE 32 3HG1 ILE 32 -16.362 -13.466 -9.090 245 HG21 ILE 32 1HG2 ILE 32 -12.927 -11.207 -7.936 246 HG22 ILE 32 2HG2 ILE 32 -13.765 -12.188 -6.734 247 HG23 ILE 32 3HG2 ILE 32 -14.520 -10.720 -7.356 248 HD11 ILE 32 3HD1 ILE 32 -15.143 -14.754 -7.411 249 HD12 ILE 32 1HD1 ILE 32 -16.756 -14.297 -6.861 250 HD13 ILE 32 2HD1 ILE 32 -15.341 -13.430 -6.262 251 H SER 33 H SER 33 -14.208 -9.045 -10.276 252 HA SER 33 HA SER 33 -11.897 -9.037 -11.810 253 HB2 SER 33 2HB SER 33 -12.695 -6.994 -9.712 254 HB3 SER 33 3HB SER 33 -11.567 -6.726 -11.040 255 HG SER 33 HG SER 33 -13.185 -6.503 -12.381 256 H ALA 34 H ALA 34 -12.207 -9.479 -8.338 257 HA ALA 34 HA ALA 34 -9.562 -8.970 -7.548 258 HB1 ALA 34 3HB ALA 34 -11.444 -9.186 -5.978 259 HB2 ALA 34 1HB ALA 34 -10.081 -10.212 -5.528 260 HB3 ALA 34 2HB ALA 34 -11.500 -10.920 -6.300 261 H ASP 35 H ASP 35 -10.976 -11.809 -9.056 262 HA ASP 35 HA ASP 35 -8.782 -13.571 -8.501 263 HB2 ASP 35 2HB ASP 35 -11.066 -14.386 -8.993 264 HB3 ASP 35 3HB ASP 35 -10.934 -13.752 -10.630 265 H LYS 36 H LYS 36 -9.340 -11.060 -10.754 266 HA LYS 36 HA LYS 36 -7.381 -11.945 -12.699 267 HB2 LYS 36 2HB LYS 36 -9.370 -10.715 -13.426 268 HB3 LYS 36 3HB LYS 36 -8.917 -9.345 -12.429 269 HG2 LYS 36 2HG LYS 36 -7.001 -10.254 -14.524 270 HG3 LYS 36 3HG LYS 36 -8.456 -9.399 -15.033 271 HD2 LYS 36 2HD LYS 36 -7.865 -7.507 -13.598 272 HD3 LYS 36 3HD LYS 36 -6.437 -8.371 -13.025 273 HE2 LYS 36 2HE LYS 36 -5.518 -8.374 -15.288 274 HE3 LYS 36 3HE LYS 36 -6.952 -7.538 -15.884 275 HZ1 LYS 36 3HZ LYS 36 -5.059 -6.457 -13.869 276 HZ2 LYS 36 1HZ LYS 36 -6.410 -5.658 -14.497 277 HZ3 LYS 36 2HZ LYS 36 -5.102 -6.023 -15.503 278 H ILE 37 H ILE 37 -7.377 -10.122 -9.773 279 HA ILE 37 HA ILE 37 -5.291 -8.312 -10.155 280 HB ILE 37 HB ILE 37 -5.942 -9.831 -7.616 281 HG12 ILE 37 2HG1 ILE 37 -7.881 -8.605 -8.468 282 HG13 ILE 37 3HG1 ILE 37 -7.260 -7.816 -7.024 283 HG21 ILE 37 1HG2 ILE 37 -3.739 -8.846 -7.447 284 HG22 ILE 37 2HG2 ILE 37 -4.867 -7.917 -6.459 285 HG23 ILE 37 3HG2 ILE 37 -4.350 -7.293 -8.025 286 HD11 ILE 37 3HD1 ILE 37 -7.909 -6.208 -8.726 287 HD12 ILE 37 1HD1 ILE 37 -6.766 -6.930 -9.859 288 HD13 ILE 37 2HD1 ILE 37 -6.177 -6.128 -8.402 289 H SER 38 H SER 38 -3.452 -8.895 -11.146 290 HA SER 38 HA SER 38 -2.197 -11.458 -10.565 291 HB2 SER 38 2HB SER 38 -1.338 -9.308 -12.525 292 HB3 SER 38 3HB SER 38 -0.736 -10.965 -12.458 293 HG SER 38 HG SER 38 -3.490 -10.697 -12.671 294 H LYS 39 H LYS 39 -0.123 -11.735 -9.757 295 HA LYS 39 HA LYS 39 0.738 -10.224 -7.636 296 HB2 LYS 39 2HB LYS 39 1.566 -12.425 -7.860 297 HB3 LYS 39 3HB LYS 39 2.215 -12.111 -9.462 298 HG2 LYS 39 2HG LYS 39 3.963 -10.708 -8.508 299 HG3 LYS 39 3HG LYS 39 3.284 -10.939 -6.893 300 HD2 LYS 39 2HD LYS 39 3.816 -13.277 -6.923 301 HD3 LYS 39 3HD LYS 39 4.251 -13.217 -8.633 302 HE2 LYS 39 2HE LYS 39 5.710 -11.737 -6.440 303 HE3 LYS 39 3HE LYS 39 6.210 -13.294 -7.098 304 HZ1 LYS 39 3HZ LYS 39 5.922 -10.809 -8.700 305 HZ2 LYS 39 1HZ LYS 39 6.517 -12.295 -9.239 306 HZ3 LYS 39 2HZ LYS 39 7.383 -11.403 -8.097 307 H GLU 40 H GLU 40 2.208 -10.132 -10.901 308 HA GLU 40 HA GLU 40 4.004 -8.038 -10.354 309 HB2 GLU 40 2HB GLU 40 4.199 -7.809 -12.805 310 HB3 GLU 40 3HB GLU 40 4.312 -9.479 -12.268 311 HG2 GLU 40 2HG GLU 40 1.974 -9.843 -12.930 312 HG3 GLU 40 3HG GLU 40 1.884 -8.175 -13.493 313 H ALA 41 H ALA 41 0.686 -7.958 -11.596 314 HA ALA 41 HA ALA 41 0.518 -5.259 -12.297 315 HB1 ALA 41 3HB ALA 41 -1.663 -7.018 -11.162 316 HB2 ALA 41 1HB ALA 41 -1.209 -6.902 -12.863 317 HB3 ALA 41 2HB ALA 41 -1.908 -5.508 -12.040 318 H LEU 42 H LEU 42 -0.111 -6.833 -9.168 319 HA LEU 42 HA LEU 42 -0.858 -4.539 -7.718 320 HB2 LEU 42 2HB LEU 42 -1.154 -6.918 -7.002 321 HB3 LEU 42 3HB LEU 42 0.565 -7.005 -6.681 322 HG LEU 42 HG LEU 42 -1.163 -4.981 -5.259 323 HD11 LEU 42 1HD1 LEU 42 -2.214 -7.169 -4.918 324 HD12 LEU 42 2HD1 LEU 42 -1.468 -6.574 -3.435 325 HD13 LEU 42 3HD1 LEU 42 -0.670 -7.831 -4.381 326 HD21 LEU 42 3HD2 LEU 42 1.232 -4.665 -5.035 327 HD22 LEU 42 1HD2 LEU 42 1.441 -6.351 -4.555 328 HD23 LEU 42 2HD2 LEU 42 0.567 -5.234 -3.505 329 H LEU 43 H LEU 43 2.333 -6.064 -8.151 330 HA LEU 43 HA LEU 43 3.847 -4.330 -6.557 331 HB2 LEU 43 2HB LEU 43 4.689 -5.777 -9.077 332 HB3 LEU 43 3HB LEU 43 5.784 -5.073 -7.902 333 HG LEU 43 HG LEU 43 3.883 -7.366 -7.360 334 HD11 LEU 43 1HD1 LEU 43 5.694 -8.031 -8.843 335 HD12 LEU 43 2HD1 LEU 43 5.906 -8.744 -7.244 336 HD13 LEU 43 3HD1 LEU 43 6.882 -7.356 -7.727 337 HD21 LEU 43 3HD2 LEU 43 4.289 -5.988 -5.374 338 HD22 LEU 43 1HD2 LEU 43 6.029 -6.150 -5.611 339 HD23 LEU 43 2HD2 LEU 43 5.055 -7.569 -5.224 340 H GLU 44 H GLU 44 3.051 -4.100 -10.019 341 HA GLU 44 HA GLU 44 4.466 -1.730 -10.573 342 HB2 GLU 44 2HB GLU 44 1.960 -2.847 -11.849 343 HB3 GLU 44 3HB GLU 44 2.907 -1.525 -12.519 344 HG2 GLU 44 2HG GLU 44 3.924 -4.327 -12.046 345 HG3 GLU 44 3HG GLU 44 3.369 -3.691 -13.593 346 H CYS 45 H CYS 45 1.089 -2.221 -9.534 347 HA CYS 45 HA CYS 45 0.297 0.479 -9.519 348 HB2 CYS 45 2HB CYS 45 -0.649 -1.813 -7.781 349 HB3 CYS 45 3HB CYS 45 -1.454 -0.250 -7.891 350 HG CYS 45 HG CYS 45 -1.479 -0.830 -10.891 351 H ALA 46 H ALA 46 1.882 -1.478 -7.021 352 HA ALA 46 HA ALA 46 1.908 0.522 -5.001 353 HB1 ALA 46 3HB ALA 46 3.584 -0.890 -3.902 354 HB2 ALA 46 1HB ALA 46 3.756 -1.839 -5.379 355 HB3 ALA 46 2HB ALA 46 2.226 -1.846 -4.498 356 H ASP 47 H ASP 47 4.164 -0.315 -7.588 357 HA ASP 47 HA ASP 47 6.310 1.348 -6.929 358 HB2 ASP 47 2HB ASP 47 6.524 -0.318 -8.651 359 HB3 ASP 47 3HB ASP 47 5.253 0.427 -9.609 360 H LEU 48 H LEU 48 3.256 2.110 -8.526 361 HA LEU 48 HA LEU 48 3.809 4.749 -9.311 362 HB2 LEU 48 2HB LEU 48 1.244 3.441 -8.405 363 HB3 LEU 48 3HB LEU 48 1.307 5.088 -9.004 364 HG LEU 48 HG LEU 48 2.112 2.639 -10.590 365 HD11 LEU 48 1HD1 LEU 48 0.066 2.988 -11.852 366 HD12 LEU 48 2HD1 LEU 48 -0.367 4.350 -10.817 367 HD13 LEU 48 3HD1 LEU 48 -0.303 2.717 -10.149 368 HD21 LEU 48 3HD2 LEU 48 3.343 4.631 -11.258 369 HD22 LEU 48 1HD2 LEU 48 1.838 5.541 -11.396 370 HD23 LEU 48 2HD2 LEU 48 2.162 4.196 -12.491 371 H LEU 49 H LEU 49 2.767 3.437 -6.188 372 HA LEU 49 HA LEU 49 2.428 5.945 -4.883 373 HB2 LEU 49 2HB LEU 49 2.810 3.132 -3.885 374 HB3 LEU 49 3HB LEU 49 2.753 4.483 -2.771 375 HG LEU 49 HG LEU 49 0.484 5.035 -3.523 376 HD11 LEU 49 1HD1 LEU 49 0.717 2.587 -5.276 377 HD12 LEU 49 2HD1 LEU 49 0.628 4.259 -5.829 378 HD13 LEU 49 3HD1 LEU 49 -0.748 3.530 -5.003 379 HD21 LEU 49 3HD2 LEU 49 0.766 3.523 -1.631 380 HD22 LEU 49 1HD2 LEU 49 0.810 2.139 -2.725 381 HD23 LEU 49 2HD2 LEU 49 -0.665 3.094 -2.568 382 H SER 50 H SER 50 5.113 3.576 -4.791 383 HA SER 50 HA SER 50 6.812 4.955 -3.061 384 HB2 SER 50 2HB SER 50 8.658 3.669 -4.078 385 HB3 SER 50 3HB SER 50 7.247 2.647 -3.798 386 HG SER 50 HG SER 50 8.329 2.495 -5.928 387 H SER 51 H SER 51 6.489 5.243 -6.580 388 HA SER 51 HA SER 51 8.438 7.291 -6.901 389 HB2 SER 51 2HB SER 51 7.637 5.959 -8.807 390 HB3 SER 51 3HB SER 51 6.029 6.661 -8.633 391 HG SER 51 HG SER 51 6.698 8.458 -9.552 392 H ALA 52 H ALA 52 4.891 7.420 -6.540 393 HA ALA 52 HA ALA 52 4.640 10.214 -6.874 394 HB1 ALA 52 3HB ALA 52 2.368 9.933 -6.049 395 HB2 ALA 52 1HB ALA 52 2.769 8.326 -5.442 396 HB3 ALA 52 2HB ALA 52 2.783 8.641 -7.177 397 H LEU 53 H LEU 53 5.541 8.327 -4.107 398 HA LEU 53 HA LEU 53 5.016 10.460 -2.201 399 HB2 LEU 53 2HB LEU 53 6.341 7.761 -1.894 400 HB3 LEU 53 3HB LEU 53 6.027 8.869 -0.566 401 HG LEU 53 HG LEU 53 3.863 7.700 -2.330 402 HD11 LEU 53 1HD1 LEU 53 3.352 6.203 -0.478 403 HD12 LEU 53 2HD1 LEU 53 4.753 6.805 0.409 404 HD13 LEU 53 3HD1 LEU 53 4.977 5.920 -1.100 405 HD21 LEU 53 3HD2 LEU 53 2.353 8.466 -0.562 406 HD22 LEU 53 1HD2 LEU 53 3.250 9.811 -1.266 407 HD23 LEU 53 2HD2 LEU 53 3.718 9.168 0.309 408 H THR 54 H THR 54 7.454 9.807 -4.384 409 HA THR 54 HA THR 54 9.450 11.304 -2.796 410 HB THR 54 HB THR 54 11.174 10.425 -4.341 411 HG1 THR 54 HG1 THR 54 9.298 8.549 -5.322 412 HG21 THR 54 3HG2 THR 54 10.726 9.237 -2.239 413 HG22 THR 54 1HG2 THR 54 11.190 8.113 -3.518 414 HG23 THR 54 2HG2 THR 54 9.498 8.262 -3.047 415 H GLU 55 H GLU 55 7.573 11.268 -5.734 416 HA GLU 55 HA GLU 55 8.799 13.773 -6.655 417 HB2 GLU 55 2HB GLU 55 7.470 13.511 -8.667 418 HB3 GLU 55 3HB GLU 55 8.282 11.989 -8.325 419 HG2 GLU 55 2HG GLU 55 6.211 11.094 -7.374 420 HG3 GLU 55 3HG GLU 55 5.401 12.624 -7.701 421 HA PRO 56 HA PRO 56 5.603 16.127 -4.593 422 HB2 PRO 56 2HB PRO 56 5.994 18.228 -6.636 423 HB3 PRO 56 3HB PRO 56 6.268 18.292 -4.891 424 HG2 PRO 56 2HG PRO 56 8.316 18.262 -6.631 425 HG3 PRO 56 3HG PRO 56 8.414 17.440 -5.062 426 HD2 PRO 56 2HD PRO 56 7.885 16.273 -7.781 427 HD3 PRO 56 3HD PRO 56 8.940 15.669 -6.482 428 H VAL 57 H VAL 57 3.509 15.633 -4.825 429 HA VAL 57 HA VAL 57 2.089 16.379 -7.278 430 HB VAL 57 HB VAL 57 0.793 14.219 -7.219 431 HG11 VAL 57 1HG1 VAL 57 3.756 13.937 -7.739 432 HG12 VAL 57 2HG1 VAL 57 2.563 14.573 -8.872 433 HG13 VAL 57 3HG1 VAL 57 2.491 12.883 -8.371 434 HG21 VAL 57 3HG2 VAL 57 3.000 13.354 -5.349 435 HG22 VAL 57 1HG2 VAL 57 1.799 12.288 -6.078 436 HG23 VAL 57 2HG2 VAL 57 1.296 13.536 -4.938 437 HA PRO 58 HA PRO 58 -1.088 17.743 -4.461 438 HB2 PRO 58 2HB PRO 58 -3.400 17.136 -5.773 439 HB3 PRO 58 3HB PRO 58 -2.334 18.460 -6.255 440 HG2 PRO 58 2HG PRO 58 -2.525 15.683 -7.373 441 HG3 PRO 58 3HG PRO 58 -2.411 17.228 -8.237 442 HD2 PRO 58 2HD PRO 58 -0.269 15.628 -7.885 443 HD3 PRO 58 3HD PRO 58 -0.121 17.398 -7.886 444 H ASN 59 H ASN 59 -2.525 17.070 -2.856 445 HA ASN 59 HA ASN 59 -2.227 14.540 -1.766 446 HB2 ASN 59 2HB ASN 59 -2.968 16.534 -0.511 447 HB3 ASN 59 3HB ASN 59 -4.522 16.473 -1.331 448 HD21 ASN 59 1HD2 ASN 59 -2.498 15.021 1.074 449 HD22 ASN 59 2HD2 ASN 59 -3.722 14.041 1.795 450 H SER 60 H SER 60 -4.913 15.755 -3.762 451 HA SER 60 HA SER 60 -6.631 13.577 -3.663 452 HB2 SER 60 2HB SER 60 -7.277 15.643 -4.774 453 HB3 SER 60 3HB SER 60 -6.043 15.404 -6.011 454 HG SER 60 HG SER 60 -8.537 14.548 -6.042 455 H GLN 61 H GLN 61 -3.865 14.087 -5.834 456 HA GLN 61 HA GLN 61 -4.203 11.713 -7.340 457 HB2 GLN 61 2HB GLN 61 -2.867 13.685 -8.065 458 HB3 GLN 61 3HB GLN 61 -1.656 13.277 -6.856 459 HG2 GLN 61 2HG GLN 61 -1.205 11.173 -7.981 460 HG3 GLN 61 3HG GLN 61 -2.473 11.509 -9.159 461 HE21 GLN 61 1HE2 GLN 61 0.364 11.039 -9.581 462 HE22 GLN 61 2HE2 GLN 61 0.965 12.436 -10.396 463 H LEU 62 H LEU 62 -2.180 12.473 -4.509 464 HA LEU 62 HA LEU 62 -0.848 10.046 -4.196 465 HB2 LEU 62 2HB LEU 62 -1.839 12.040 -2.161 466 HB3 LEU 62 3HB LEU 62 -0.857 10.657 -1.718 467 HG LEU 62 HG LEU 62 0.044 12.760 -3.693 468 HD11 LEU 62 1HD1 LEU 62 -0.323 13.806 -1.520 469 HD12 LEU 62 2HD1 LEU 62 1.399 13.682 -1.873 470 HD13 LEU 62 3HD1 LEU 62 0.649 12.557 -0.740 471 HD21 LEU 62 3HD2 LEU 62 2.260 11.809 -3.272 472 HD22 LEU 62 1HD2 LEU 62 1.154 10.587 -3.899 473 HD23 LEU 62 2HD2 LEU 62 1.550 10.620 -2.180 474 H VAL 63 H VAL 63 -3.879 11.033 -2.596 475 HA VAL 63 HA VAL 63 -4.296 8.565 -1.284 476 HB VAL 63 HB VAL 63 -6.348 10.677 -1.986 477 HG11 VAL 63 1HG1 VAL 63 -7.625 9.763 -0.094 478 HG12 VAL 63 2HG1 VAL 63 -6.419 8.491 0.103 479 HG13 VAL 63 3HG1 VAL 63 -7.396 8.561 -1.365 480 HG21 VAL 63 3HG2 VAL 63 -4.665 10.336 0.502 481 HG22 VAL 63 1HG2 VAL 63 -5.934 11.538 0.277 482 HG23 VAL 63 2HG2 VAL 63 -4.476 11.602 -0.712 483 H ASP 64 H ASP 64 -5.768 9.867 -4.282 484 HA ASP 64 HA ASP 64 -7.497 7.683 -4.732 485 HB2 ASP 64 2HB ASP 64 -7.726 9.927 -5.792 486 HB3 ASP 64 3HB ASP 64 -6.335 9.559 -6.808 487 H THR 65 H THR 65 -4.157 8.259 -5.807 488 HA THR 65 HA THR 65 -4.012 5.978 -7.513 489 HB THR 65 HB THR 65 -1.764 7.506 -6.170 490 HG1 THR 65 HG1 THR 65 -2.681 8.871 -7.613 491 HG21 THR 65 3HG2 THR 65 -0.297 6.491 -7.858 492 HG22 THR 65 1HG2 THR 65 -1.647 5.523 -8.456 493 HG23 THR 65 2HG2 THR 65 -1.024 5.259 -6.826 494 H GLY 66 H GLY 66 -3.107 6.488 -4.104 495 HA2 GLY 66 2HA GLY 66 -2.180 3.796 -3.718 496 HA3 GLY 66 3HA GLY 66 -2.535 4.966 -2.457 497 H HIS 67 H HIS 67 -5.272 5.347 -3.537 498 HA HIS 67 HA HIS 67 -6.697 3.737 -1.796 499 HB2 HIS 67 2HB HIS 67 -7.524 5.846 -2.742 500 HB3 HIS 67 3HB HIS 67 -7.651 5.098 -4.327 501 HD1 HIS 67 HD1 HIS 67 -9.915 4.368 -4.903 502 HD2 HIS 67 HD2 HIS 67 -9.338 4.427 -0.789 503 HE1 HIS 67 HE1 HIS 67 -12.135 3.769 -3.906 504 HE2 HIS 67 HE2 HIS 67 -11.814 4.027 -1.425 505 H GLN 68 H GLN 68 -5.847 3.093 -5.161 506 HA GLN 68 HA GLN 68 -7.664 0.932 -5.550 507 HB2 GLN 68 2HB GLN 68 -6.338 0.422 -7.556 508 HB3 GLN 68 3HB GLN 68 -6.717 2.137 -7.443 509 HG2 GLN 68 2HG GLN 68 -4.450 2.535 -6.533 510 HG3 GLN 68 3HG GLN 68 -4.084 0.830 -6.786 511 HE21 GLN 68 1HE2 GLN 68 -2.886 3.246 -7.928 512 HE22 GLN 68 2HE2 GLN 68 -3.002 3.062 -9.642 513 H LEU 69 H LEU 69 -4.395 1.109 -4.254 514 HA LEU 69 HA LEU 69 -3.656 -1.579 -4.453 515 HB2 LEU 69 2HB LEU 69 -2.895 0.650 -2.612 516 HB3 LEU 69 3HB LEU 69 -2.358 -0.971 -2.226 517 HG LEU 69 HG LEU 69 -0.628 0.273 -3.426 518 HD11 LEU 69 1HD1 LEU 69 -0.161 -1.344 -5.206 519 HD12 LEU 69 2HD1 LEU 69 -1.814 -1.951 -5.089 520 HD13 LEU 69 3HD1 LEU 69 -0.705 -2.141 -3.729 521 HD21 LEU 69 3HD2 LEU 69 -0.923 0.958 -5.742 522 HD22 LEU 69 1HD2 LEU 69 -2.085 1.776 -4.699 523 HD23 LEU 69 2HD2 LEU 69 -2.604 0.423 -5.704 524 H LEU 70 H LEU 70 -5.824 -0.017 -2.183 525 HA LEU 70 HA LEU 70 -5.948 -2.066 -0.257 526 HB2 LEU 70 2HB LEU 70 -7.737 0.192 -1.046 527 HB3 LEU 70 3HB LEU 70 -8.375 -1.040 0.028 528 HG LEU 70 HG LEU 70 -7.516 0.880 1.280 529 HD11 LEU 70 1HD1 LEU 70 -5.996 -0.356 2.799 530 HD12 LEU 70 2HD1 LEU 70 -5.921 -1.657 1.613 531 HD13 LEU 70 3HD1 LEU 70 -7.456 -1.249 2.381 532 HD21 LEU 70 3HD2 LEU 70 -5.783 1.619 -0.277 533 HD22 LEU 70 1HD2 LEU 70 -4.830 0.179 0.087 534 HD23 LEU 70 2HD2 LEU 70 -5.129 1.381 1.345 535 H ASP 71 H ASP 71 -7.857 -1.595 -3.237 536 HA ASP 71 HA ASP 71 -9.545 -3.846 -2.787 537 HB2 ASP 71 2HB ASP 71 -10.099 -1.955 -4.331 538 HB3 ASP 71 3HB ASP 71 -8.863 -2.548 -5.439 539 H TYR 72 H TYR 72 -6.638 -3.384 -4.815 540 HA TYR 72 HA TYR 72 -6.305 -5.964 -5.785 541 HB2 TYR 72 2HB TYR 72 -4.286 -3.863 -4.981 542 HB3 TYR 72 3HB TYR 72 -3.787 -5.404 -5.663 543 HD1 TYR 72 HD1 TYR 72 -6.315 -2.738 -6.478 544 HD2 TYR 72 HD2 TYR 72 -3.261 -5.346 -7.903 545 HE1 TYR 72 HE1 TYR 72 -6.574 -1.803 -8.739 546 HE2 TYR 72 HE2 TYR 72 -3.520 -4.419 -10.163 547 HH TYR 72 HH TYR 72 -5.270 -1.569 -10.797 548 H CYS 73 H CYS 73 -5.012 -4.616 -2.749 549 HA CYS 73 HA CYS 73 -3.743 -6.984 -1.883 550 HB2 CYS 73 2HB CYS 73 -4.657 -4.551 -0.344 551 HB3 CYS 73 3HB CYS 73 -3.688 -5.843 0.356 552 HG CYS 73 HG CYS 73 -2.776 -3.497 -1.921 553 H SER 74 H SER 74 -6.895 -5.577 -0.932 554 HA SER 74 HA SER 74 -7.566 -7.469 1.015 555 HB2 SER 74 2HB SER 74 -9.407 -5.866 -0.780 556 HB3 SER 74 3HB SER 74 -9.935 -6.770 0.638 557 HG SER 74 HG SER 74 -8.574 -4.364 0.464 558 H GLY 75 H GLY 75 -7.809 -7.694 -2.482 559 HA2 GLY 75 2HA GLY 75 -9.320 -10.190 -2.343 560 HA3 GLY 75 3HA GLY 75 -8.754 -9.394 -3.801 561 H TYR 76 H TYR 76 -6.020 -9.180 -3.158 562 HA TYR 76 HA TYR 76 -5.173 -11.754 -4.050 563 HB2 TYR 76 2HB TYR 76 -4.170 -9.610 -4.811 564 HB3 TYR 76 3HB TYR 76 -3.484 -9.385 -3.208 565 HD1 TYR 76 HD2 TYR 76 -3.292 -11.339 -6.323 566 HD2 TYR 76 HD1 TYR 76 -1.524 -10.640 -2.507 567 HE1 TYR 76 HE2 TYR 76 -1.294 -12.590 -7.023 568 HE2 TYR 76 HE1 TYR 76 0.477 -11.886 -3.202 569 HH TYR 76 HH TYR 76 1.036 -13.688 -4.898 570 H VAL 77 H VAL 77 -5.080 -10.153 -0.914 571 HA VAL 77 HA VAL 77 -2.930 -11.447 0.273 572 HB VAL 77 HB VAL 77 -4.048 -9.540 1.311 573 HG11 VAL 77 1HG1 VAL 77 -6.135 -9.800 2.564 574 HG12 VAL 77 2HG1 VAL 77 -6.278 -11.463 1.988 575 HG13 VAL 77 3HG1 VAL 77 -6.368 -10.121 0.845 576 HG21 VAL 77 3HG2 VAL 77 -3.937 -10.291 3.644 577 HG22 VAL 77 1HG2 VAL 77 -2.612 -10.958 2.693 578 HG23 VAL 77 2HG2 VAL 77 -3.993 -11.972 3.112 579 H ASP 78 H ASP 78 -6.306 -12.582 0.125 580 HA ASP 78 HA ASP 78 -5.971 -14.763 1.896 581 HB2 ASP 78 2HB ASP 78 -8.163 -13.738 1.197 582 HB3 ASP 78 3HB ASP 78 -7.989 -14.550 -0.355 583 H CYS 79 H CYS 79 -5.045 -14.336 -1.393 584 HA CYS 79 HA CYS 79 -4.952 -17.127 -2.106 585 HB2 CYS 79 2HB CYS 79 -5.260 -15.460 -3.849 586 HB3 CYS 79 3HB CYS 79 -3.733 -14.691 -3.428 587 HG CYS 79 HG CYS 79 -4.323 -17.371 -5.343 588 H ILE 80 H ILE 80 -2.846 -15.011 -0.388 589 HA ILE 80 HA ILE 80 -0.343 -16.169 -1.060 590 HB ILE 80 HB ILE 80 -1.128 -14.727 1.485 591 HG12 ILE 80 2HG1 ILE 80 0.129 -13.687 -1.075 592 HG13 ILE 80 3HG1 ILE 80 -1.511 -13.359 -0.524 593 HG21 ILE 80 1HG2 ILE 80 0.918 -16.002 1.795 594 HG22 ILE 80 2HG2 ILE 80 1.290 -14.280 1.724 595 HG23 ILE 80 3HG2 ILE 80 1.604 -15.307 0.326 596 HD11 ILE 80 3HD1 ILE 80 -0.043 -11.470 -0.114 597 HD12 ILE 80 1HD1 ILE 80 1.020 -12.487 0.860 598 HD13 ILE 80 2HD1 ILE 80 -0.625 -12.153 1.404 599 HA PRO 81 HA PRO 81 -1.036 -20.064 1.081 600 HB2 PRO 81 2HB PRO 81 1.396 -21.179 0.540 601 HB3 PRO 81 3HB PRO 81 0.083 -21.092 -0.640 602 HG2 PRO 81 2HG PRO 81 2.475 -19.311 -0.330 603 HG3 PRO 81 3HG PRO 81 1.761 -19.980 -1.811 604 HD2 PRO 81 2HD PRO 81 1.309 -17.431 -1.012 605 HD3 PRO 81 3HD PRO 81 0.086 -18.386 -1.877 606 H GLN 82 H GLN 82 2.195 -18.536 1.511 607 HA GLN 82 HA GLN 82 2.608 -19.741 4.066 608 HB2 GLN 82 2HB GLN 82 4.467 -19.028 2.615 609 HB3 GLN 82 3HB GLN 82 3.986 -17.349 2.822 610 HG2 GLN 82 2HG GLN 82 5.889 -17.899 4.228 611 HG3 GLN 82 3HG GLN 82 4.482 -17.479 5.204 612 HE21 GLN 82 1HE2 GLN 82 4.944 -20.583 3.605 613 HE22 GLN 82 2HE2 GLN 82 5.115 -21.498 5.060 614 H THR 83 H THR 83 1.364 -19.267 5.780 615 HA THR 83 HA THR 83 -0.282 -17.013 5.990 616 HB THR 83 HB THR 83 0.661 -18.729 8.301 617 HG1 THR 83 HG1 THR 83 -1.159 -20.009 7.785 618 HG21 THR 83 3HG2 THR 83 -1.856 -17.085 7.910 619 HG22 THR 83 1HG2 THR 83 -0.524 -16.688 9.000 620 HG23 THR 83 2HG2 THR 83 -1.509 -18.122 9.296 621 H ARG 84 H ARG 84 3.003 -17.512 7.200 622 HA ARG 84 HA ARG 84 3.282 -15.290 8.861 623 HB2 ARG 84 2HB ARG 84 5.273 -16.561 6.968 624 HB3 ARG 84 3HB ARG 84 5.708 -15.301 8.117 625 HG2 ARG 84 2HG ARG 84 4.515 -17.967 8.870 626 HG3 ARG 84 3HG ARG 84 6.240 -17.589 8.897 627 HD2 ARG 84 2HD ARG 84 5.868 -15.861 10.561 628 HD3 ARG 84 3HD ARG 84 4.124 -16.122 10.484 629 HE ARG 84 HE ARG 84 5.421 -18.531 11.149 630 HH11 ARG 84 1HH1 ARG 84 4.750 -15.446 12.518 631 HH12 ARG 84 2HH1 ARG 84 4.605 -16.070 14.122 632 HH21 ARG 84 1HH2 ARG 84 5.253 -19.322 13.215 633 HH22 ARG 84 2HH2 ARG 84 4.882 -18.242 14.514 634 H ASN 85 H ASN 85 4.014 -15.447 5.371 635 HA ASN 85 HA ASN 85 4.379 -12.697 4.957 636 HB2 ASN 85 2HB ASN 85 3.446 -14.850 3.044 637 HB3 ASN 85 3HB ASN 85 3.921 -13.227 2.554 638 HD21 ASN 85 1HD2 ASN 85 5.584 -14.055 1.285 639 HD22 ASN 85 2HD2 ASN 85 7.034 -14.680 1.974 640 H LYS 86 H LYS 86 1.461 -14.704 4.628 641 HA LYS 86 HA LYS 86 -0.274 -12.770 3.620 642 HB2 LYS 86 2HB LYS 86 -0.776 -15.184 3.720 643 HB3 LYS 86 3HB LYS 86 -0.931 -15.078 5.467 644 HG2 LYS 86 2HG LYS 86 -2.906 -13.771 5.305 645 HG3 LYS 86 3HG LYS 86 -2.666 -13.496 3.579 646 HD2 LYS 86 2HD LYS 86 -4.421 -15.163 3.979 647 HD3 LYS 86 3HD LYS 86 -3.046 -15.873 3.135 648 HE2 LYS 86 2HE LYS 86 -2.229 -16.782 5.272 649 HE3 LYS 86 3HE LYS 86 -3.636 -16.098 6.085 650 HZ1 LYS 86 3HZ LYS 86 -4.024 -18.403 5.625 651 HZ2 LYS 86 1HZ LYS 86 -3.654 -18.202 3.987 652 HZ3 LYS 86 2HZ LYS 86 -5.041 -17.488 4.635 653 H PHE 87 H PHE 87 0.627 -13.443 6.988 654 HA PHE 87 HA PHE 87 -1.197 -11.554 8.126 655 HB2 PHE 87 2HB PHE 87 -0.158 -13.485 9.376 656 HB3 PHE 87 3HB PHE 87 1.364 -12.598 9.365 657 HD1 PHE 87 HD2 PHE 87 -2.073 -12.651 10.691 658 HD2 PHE 87 HD1 PHE 87 1.729 -10.730 10.823 659 HE1 PHE 87 HE2 PHE 87 -2.752 -11.450 12.728 660 HE2 PHE 87 HE1 PHE 87 1.053 -9.529 12.860 661 HZ PHE 87 HZ PHE 87 -1.190 -9.884 13.813 662 H ALA 88 H ALA 88 2.322 -11.455 7.481 663 HA ALA 88 HA ALA 88 2.801 -8.799 8.221 664 HB1 ALA 88 3HB ALA 88 4.161 -10.345 6.011 665 HB2 ALA 88 1HB ALA 88 4.567 -10.446 7.724 666 HB3 ALA 88 2HB ALA 88 4.803 -8.931 6.851 667 H PHE 89 H PHE 89 1.371 -10.121 5.330 668 HA PHE 89 HA PHE 89 1.376 -7.701 3.807 669 HB2 PHE 89 2HB PHE 89 1.138 -10.106 2.944 670 HB3 PHE 89 3HB PHE 89 -0.534 -10.025 3.478 671 HD1 PHE 89 HD2 PHE 89 1.931 -8.733 1.078 672 HD2 PHE 89 HD1 PHE 89 -2.165 -8.742 2.256 673 HE1 PHE 89 HE2 PHE 89 1.311 -7.723 -1.076 674 HE2 PHE 89 HE1 PHE 89 -2.785 -7.738 0.102 675 HZ PHE 89 HZ PHE 89 -1.049 -7.225 -1.568 676 H ARG 90 H ARG 90 -1.021 -9.359 5.857 677 HA ARG 90 HA ARG 90 -3.162 -7.595 5.595 678 HB2 ARG 90 2HB ARG 90 -2.280 -9.336 7.894 679 HB3 ARG 90 3HB ARG 90 -3.718 -8.332 8.010 680 HG2 ARG 90 2HG ARG 90 -3.254 -10.497 5.962 681 HG3 ARG 90 3HG ARG 90 -4.248 -10.643 7.412 682 HD2 ARG 90 2HD ARG 90 -4.724 -8.854 5.025 683 HD3 ARG 90 3HD ARG 90 -5.703 -10.220 5.558 684 HE ARG 90 HE ARG 90 -5.553 -7.584 6.849 685 HH11 ARG 90 1HH1 ARG 90 -7.039 -10.697 6.644 686 HH12 ARG 90 2HH1 ARG 90 -8.413 -10.203 7.570 687 HH21 ARG 90 1HH2 ARG 90 -7.342 -6.989 8.016 688 HH22 ARG 90 2HH2 ARG 90 -8.592 -8.149 8.311 689 H GLU 91 H GLU 91 -0.590 -7.516 8.087 690 HA GLU 91 HA GLU 91 -1.475 -5.205 9.401 691 HB2 GLU 91 2HB GLU 91 0.718 -5.086 10.412 692 HB3 GLU 91 3HB GLU 91 0.242 -6.775 10.295 693 HG2 GLU 91 2HG GLU 91 1.680 -7.075 8.364 694 HG3 GLU 91 3HG GLU 91 2.107 -5.370 8.391 695 H ALA 92 H ALA 92 0.839 -5.548 6.711 696 HA ALA 92 HA ALA 92 1.601 -2.870 6.462 697 HB1 ALA 92 3HB ALA 92 2.246 -3.438 4.169 698 HB2 ALA 92 1HB ALA 92 1.325 -4.940 4.279 699 HB3 ALA 92 2HB ALA 92 2.739 -4.695 5.303 700 H VAL 93 H VAL 93 -1.064 -4.596 4.832 701 HA VAL 93 HA VAL 93 -2.115 -2.393 3.430 702 HB VAL 93 HB VAL 93 -3.536 -4.864 4.456 703 HG11 VAL 93 1HG1 VAL 93 -5.243 -4.401 2.767 704 HG12 VAL 93 2HG1 VAL 93 -4.421 -2.901 2.332 705 HG13 VAL 93 3HG1 VAL 93 -5.136 -3.082 3.934 706 HG21 VAL 93 3HG2 VAL 93 -1.664 -5.357 2.969 707 HG22 VAL 93 1HG2 VAL 93 -2.316 -4.250 1.760 708 HG23 VAL 93 2HG2 VAL 93 -3.199 -5.720 2.182 709 H SER 94 H SER 94 -2.787 -3.616 6.692 710 HA SER 94 HA SER 94 -4.909 -1.861 7.327 711 HB2 SER 94 2HB SER 94 -2.869 -3.108 9.197 712 HB3 SER 94 3HB SER 94 -4.414 -2.408 9.681 713 HG SER 94 HG SER 94 -4.748 -4.254 7.718 714 H LYS 95 H LYS 95 -1.409 -1.538 7.585 715 HA LYS 95 HA LYS 95 -1.396 1.018 8.849 716 HB2 LYS 95 2HB LYS 95 0.706 -0.342 7.132 717 HB3 LYS 95 3HB LYS 95 0.983 1.086 8.121 718 HG2 LYS 95 2HG LYS 95 0.705 -0.121 10.133 719 HG3 LYS 95 3HG LYS 95 0.008 -1.506 9.295 720 HD2 LYS 95 2HD LYS 95 2.308 -1.969 9.979 721 HD3 LYS 95 3HD LYS 95 2.168 -1.955 8.223 722 HE2 LYS 95 2HE LYS 95 3.121 0.260 8.118 723 HE3 LYS 95 3HE LYS 95 3.137 0.376 9.877 724 HZ1 LYS 95 3HZ LYS 95 5.324 -0.162 8.965 725 HZ2 LYS 95 1HZ LYS 95 4.706 -1.579 8.280 726 HZ3 LYS 95 2HZ LYS 95 4.752 -1.402 9.958 727 H LEU 96 H LEU 96 -1.413 -0.070 5.501 728 HA LEU 96 HA LEU 96 -0.908 2.404 4.243 729 HB2 LEU 96 2HB LEU 96 -0.714 0.202 3.141 730 HB3 LEU 96 3HB LEU 96 -2.456 0.023 3.205 731 HG LEU 96 HG LEU 96 -2.676 2.022 1.721 732 HD11 LEU 96 1HD1 LEU 96 0.328 1.791 1.506 733 HD12 LEU 96 2HD1 LEU 96 -0.564 3.119 2.251 734 HD13 LEU 96 3HD1 LEU 96 -0.704 2.828 0.519 735 HD21 LEU 96 3HD2 LEU 96 -2.741 -0.251 0.812 736 HD22 LEU 96 1HD2 LEU 96 -0.988 -0.222 0.610 737 HD23 LEU 96 2HD2 LEU 96 -2.003 0.880 -0.322 738 H GLU 97 H GLU 97 -4.026 0.741 4.861 739 HA GLU 97 HA GLU 97 -5.678 2.713 3.748 740 HB2 GLU 97 2HB GLU 97 -7.494 1.723 5.158 741 HB3 GLU 97 3HB GLU 97 -6.599 0.548 4.209 742 HG2 GLU 97 2HG GLU 97 -5.310 -0.086 6.175 743 HG3 GLU 97 3HG GLU 97 -6.170 1.112 7.137 744 H LEU 98 H LEU 98 -4.669 2.298 7.155 745 HA LEU 98 HA LEU 98 -6.046 4.490 8.229 746 HB2 LEU 98 2HB LEU 98 -3.434 3.228 9.073 747 HB3 LEU 98 3HB LEU 98 -4.306 4.403 10.036 748 HG LEU 98 HG LEU 98 -5.335 1.672 9.249 749 HD11 LEU 98 1HD1 LEU 98 -3.530 1.552 10.887 750 HD12 LEU 98 2HD1 LEU 98 -5.077 1.107 11.604 751 HD13 LEU 98 3HD1 LEU 98 -4.386 2.698 11.923 752 HD21 LEU 98 3HD2 LEU 98 -7.162 3.259 9.453 753 HD22 LEU 98 1HD2 LEU 98 -6.559 3.788 11.026 754 HD23 LEU 98 2HD2 LEU 98 -7.169 2.145 10.818 755 H SER 99 H SER 99 -2.780 4.292 6.861 756 HA SER 99 HA SER 99 -2.033 6.968 7.398 757 HB2 SER 99 2HB SER 99 -0.420 5.154 6.879 758 HB3 SER 99 3HB SER 99 -0.998 5.139 5.215 759 HG SER 99 HG SER 99 0.424 7.165 6.578 760 H LEU 100 H LEU 100 -3.523 5.469 4.529 761 HA LEU 100 HA LEU 100 -3.507 7.776 2.895 762 HB2 LEU 100 2HB LEU 100 -5.222 5.299 2.890 763 HB3 LEU 100 3HB LEU 100 -5.426 6.572 1.700 764 HG LEU 100 HG LEU 100 -2.870 5.008 2.121 765 HD11 LEU 100 1HD1 LEU 100 -4.652 3.584 1.235 766 HD12 LEU 100 2HD1 LEU 100 -3.412 3.890 0.020 767 HD13 LEU 100 3HD1 LEU 100 -4.951 4.751 -0.055 768 HD21 LEU 100 3HD2 LEU 100 -2.468 7.246 1.248 769 HD22 LEU 100 1HD2 LEU 100 -3.666 6.985 -0.022 770 HD23 LEU 100 2HD2 LEU 100 -2.179 6.036 -0.002 771 H GLN 101 H GLN 101 -6.033 6.498 5.074 772 HA GLN 101 HA GLN 101 -7.948 8.477 4.366 773 HB2 GLN 101 2HB GLN 101 -9.272 7.642 6.237 774 HB3 GLN 101 3HB GLN 101 -8.621 6.315 5.287 775 HG2 GLN 101 2HG GLN 101 -6.832 6.042 6.979 776 HG3 GLN 101 3HG GLN 101 -7.605 7.297 7.946 777 HE21 GLN 101 1HE2 GLN 101 -7.977 5.909 9.651 778 HE22 GLN 101 2HE2 GLN 101 -9.173 4.663 9.595 779 H GLU 102 H GLU 102 -5.441 8.370 6.861 780 HA GLU 102 HA GLU 102 -6.393 10.769 8.145 781 HB2 GLU 102 2HB GLU 102 -4.430 10.676 9.512 782 HB3 GLU 102 3HB GLU 102 -5.036 9.039 9.335 783 HG2 GLU 102 2HG GLU 102 -3.321 8.576 7.656 784 HG3 GLU 102 3HG GLU 102 -2.716 10.222 7.821 785 H LEU 103 H LEU 103 -4.080 10.016 5.596 786 HA LEU 103 HA LEU 103 -2.754 12.485 5.452 787 HB2 LEU 103 2HB LEU 103 -1.931 10.534 4.284 788 HB3 LEU 103 3HB LEU 103 -3.365 10.482 3.276 789 HG LEU 103 HG LEU 103 -2.713 12.593 2.205 790 HD11 LEU 103 1HD1 LEU 103 -0.279 12.445 3.985 791 HD12 LEU 103 2HD1 LEU 103 -1.538 13.684 4.003 792 HD13 LEU 103 3HD1 LEU 103 -0.466 13.535 2.610 793 HD21 LEU 103 3HD2 LEU 103 -0.494 10.546 2.193 794 HD22 LEU 103 1HD2 LEU 103 -0.802 11.759 0.948 795 HD23 LEU 103 2HD2 LEU 103 -1.973 10.473 1.235 796 H GLN 104 H GLN 104 -5.711 11.411 3.780 797 HA GLN 104 HA GLN 104 -6.021 13.723 2.194 798 HB2 GLN 104 2HB GLN 104 -8.375 12.950 1.900 799 HB3 GLN 104 3HB GLN 104 -7.170 11.710 1.586 800 HG2 GLN 104 2HG GLN 104 -7.577 10.886 3.937 801 HG3 GLN 104 3HG GLN 104 -8.963 11.976 3.985 802 HE21 GLN 104 1HE2 GLN 104 -7.633 9.097 2.569 803 HE22 GLN 104 2HE2 GLN 104 -9.105 8.515 1.881 804 H VAL 105 H VAL 105 -7.150 13.006 5.480 805 HA VAL 105 HA VAL 105 -8.611 15.520 5.628 806 HB VAL 105 HB VAL 105 -9.178 14.901 7.914 807 HG11 VAL 105 1HG1 VAL 105 -10.539 13.973 6.118 808 HG12 VAL 105 2HG1 VAL 105 -10.427 12.837 7.463 809 HG13 VAL 105 3HG1 VAL 105 -9.466 12.575 6.006 810 HG21 VAL 105 3HG2 VAL 105 -7.064 13.874 8.593 811 HG22 VAL 105 1HG2 VAL 105 -7.367 12.512 7.514 812 HG23 VAL 105 2HG2 VAL 105 -8.418 12.786 8.904 813 H SER 106 H SER 106 -5.435 14.401 6.294 814 HA SER 106 HA SER 106 -4.807 16.773 7.928 815 HB2 SER 106 2HB SER 106 -3.152 14.297 7.347 816 HB3 SER 106 3HB SER 106 -2.639 15.643 8.365 817 HG SER 106 HG SER 106 -4.502 13.630 8.864 818 H SER 107 H SER 107 -5.210 16.522 4.879 819 HA SER 107 HA SER 107 -2.798 16.884 3.524 820 HB2 SER 107 2HB SER 107 -4.147 18.035 1.781 821 HB3 SER 107 3HB SER 107 -4.878 16.519 2.313 822 HG SER 107 HG SER 107 -6.575 17.756 2.577 823 H ALA 108 H ALA 108 -5.064 19.480 4.439 824 HA ALA 108 HA ALA 108 -4.796 21.694 4.905 825 HB1 ALA 108 3HB ALA 108 -2.894 22.364 6.269 826 HB2 ALA 108 1HB ALA 108 -2.052 20.869 5.861 827 HB3 ALA 108 2HB ALA 108 -3.531 20.814 6.822 828 H ALA 109 H ALA 109 -1.421 21.015 4.036 829 HA ALA 109 HA ALA 109 -1.016 23.192 2.342 830 HB1 ALA 109 3HB ALA 109 0.305 20.477 2.299 831 HB2 ALA 109 1HB ALA 109 0.795 21.861 3.280 832 HB3 ALA 109 2HB ALA 109 0.931 21.933 1.523 833 H ALA 110 H ALA 110 -2.280 19.990 1.678 834 HA ALA 110 HA ALA 110 -3.375 19.062 -0.069 835 HB1 ALA 110 3HB ALA 110 -3.375 21.792 -1.351 836 HB2 ALA 110 1HB ALA 110 -4.590 21.204 -0.217 837 HB3 ALA 110 2HB ALA 110 -4.394 20.419 -1.786 838 H GLY 111 H GLY 111 -1.109 21.445 -1.546 839 HA2 GLY 111 2HA GLY 111 0.108 19.169 -3.001 840 HA3 GLY 111 3HA GLY 111 -0.257 20.683 -3.811 841 H VAL 112 H VAL 112 1.504 19.561 -0.907 842 HA VAL 112 HA VAL 112 3.828 21.143 -1.794 843 HB VAL 112 HB VAL 112 2.748 21.017 1.036 844 HG11 VAL 112 1HG1 VAL 112 5.181 20.827 1.097 845 HG12 VAL 112 2HG1 VAL 112 4.672 22.413 1.674 846 HG13 VAL 112 3HG1 VAL 112 5.333 22.238 0.048 847 HG21 VAL 112 3HG2 VAL 112 2.633 23.472 0.823 848 HG22 VAL 112 1HG2 VAL 112 1.613 22.652 -0.360 849 HG23 VAL 112 2HG2 VAL 112 3.160 23.340 -0.856 850 HA PRO 113 HA PRO 113 5.737 17.097 -1.358 851 HB2 PRO 113 2HB PRO 113 8.333 17.946 -1.684 852 HB3 PRO 113 3HB PRO 113 7.209 17.664 -3.018 853 HG2 PRO 113 2HG PRO 113 7.954 20.240 -1.680 854 HG3 PRO 113 3HG PRO 113 7.756 19.893 -3.410 855 HD2 PRO 113 2HD PRO 113 5.841 21.144 -1.998 856 HD3 PRO 113 3HD PRO 113 5.438 19.998 -3.294 857 H GLY 114 H GLY 114 6.296 15.995 0.426 858 HA2 GLY 114 2HA GLY 114 7.245 15.457 2.450 859 HA3 GLY 114 3HA GLY 114 8.192 16.930 2.346 860 H THR 115 H THR 115 4.937 17.729 2.064 861 HA THR 115 HA THR 115 4.887 19.358 4.287 862 HB THR 115 HB THR 115 3.261 19.669 2.544 863 HG1 THR 115 HG1 THR 115 1.922 18.975 4.981 864 HG21 THR 115 3HG2 THR 115 2.864 17.312 1.947 865 HG22 THR 115 1HG2 THR 115 1.351 18.181 2.210 866 HG23 THR 115 2HG2 THR 115 1.967 17.088 3.450 867 H ASN 116 H ASN 116 3.671 16.014 4.126 868 HA ASN 116 HA ASN 116 3.260 16.103 7.052 869 HB2 ASN 116 2HB ASN 116 1.670 14.489 5.035 870 HB3 ASN 116 3HB ASN 116 1.408 14.513 6.775 871 HD21 ASN 116 1HD2 ASN 116 -0.429 15.197 4.644 872 HD22 ASN 116 2HD2 ASN 116 -0.917 16.826 4.936 873 HA PRO 117 HA PRO 117 6.235 12.739 7.284 874 HB2 PRO 117 2HB PRO 117 5.277 11.595 9.621 875 HB3 PRO 117 3HB PRO 117 6.384 12.970 9.557 876 HG2 PRO 117 2HG PRO 117 3.407 12.947 9.914 877 HG3 PRO 117 3HG PRO 117 4.627 13.931 10.746 878 HD2 PRO 117 2HD PRO 117 3.139 14.958 8.773 879 HD3 PRO 117 3HD PRO 117 4.855 15.394 8.941 880 H VAL 118 H VAL 118 2.786 12.328 7.450 881 HA VAL 118 HA VAL 118 2.368 9.620 7.313 882 HB VAL 118 HB VAL 118 0.898 11.731 5.707 883 HG11 VAL 118 1HG1 VAL 118 0.324 9.494 4.959 884 HG12 VAL 118 2HG1 VAL 118 -1.022 10.195 5.859 885 HG13 VAL 118 3HG1 VAL 118 0.017 8.991 6.622 886 HG21 VAL 118 3HG2 VAL 118 0.387 10.733 8.518 887 HG22 VAL 118 1HG2 VAL 118 -0.631 11.865 7.627 888 HG23 VAL 118 2HG2 VAL 118 1.011 12.324 8.079 889 H LEU 119 H LEU 119 3.521 11.738 4.739 890 HA LEU 119 HA LEU 119 3.193 10.025 2.535 891 HB2 LEU 119 2HB LEU 119 5.359 12.085 3.002 892 HB3 LEU 119 3HB LEU 119 4.910 11.408 1.446 893 HG LEU 119 HG LEU 119 3.109 13.102 3.192 894 HD11 LEU 119 1HD1 LEU 119 4.962 14.390 2.247 895 HD12 LEU 119 2HD1 LEU 119 3.418 14.848 1.531 896 HD13 LEU 119 3HD1 LEU 119 4.537 13.821 0.633 897 HD21 LEU 119 3HD2 LEU 119 1.617 13.142 1.255 898 HD22 LEU 119 1HD2 LEU 119 1.853 11.498 1.843 899 HD23 LEU 119 2HD2 LEU 119 2.694 12.045 0.391 900 H ASN 120 H ASN 120 5.845 10.318 4.861 901 HA ASN 120 HA ASN 120 7.515 8.350 3.614 902 HB2 ASN 120 2HB ASN 120 7.570 9.480 6.425 903 HB3 ASN 120 3HB ASN 120 8.842 8.499 5.701 904 HD21 ASN 120 1HD2 ASN 120 8.834 11.276 6.709 905 HD22 ASN 120 2HD2 ASN 120 9.425 12.236 5.399 906 H ASN 121 H ASN 121 5.127 8.323 6.222 907 HA ASN 121 HA ASN 121 5.449 5.666 7.078 908 HB2 ASN 121 2HB ASN 121 2.932 7.353 6.989 909 HB3 ASN 121 3HB ASN 121 3.114 5.856 7.899 910 HD21 ASN 121 1HD2 ASN 121 2.696 6.950 9.836 911 HD22 ASN 121 2HD2 ASN 121 3.885 7.967 10.571 912 H LEU 122 H LEU 122 3.349 7.011 4.528 913 HA LEU 122 HA LEU 122 2.246 4.647 3.551 914 HB2 LEU 122 2HB LEU 122 3.028 7.215 2.177 915 HB3 LEU 122 3HB LEU 122 2.262 5.898 1.304 916 HG LEU 122 HG LEU 122 1.040 7.322 3.681 917 HD11 LEU 122 1HD1 LEU 122 1.233 8.806 1.732 918 HD12 LEU 122 2HD1 LEU 122 -0.446 8.384 2.068 919 HD13 LEU 122 3HD1 LEU 122 0.409 7.603 0.736 920 HD21 LEU 122 3HD2 LEU 122 0.273 5.020 3.444 921 HD22 LEU 122 1HD2 LEU 122 -0.109 5.304 1.744 922 HD23 LEU 122 2HD2 LEU 122 -1.008 6.148 3.006 923 H LEU 123 H LEU 123 5.260 6.266 2.511 924 HA LEU 123 HA LEU 123 6.120 4.416 0.629 925 HB2 LEU 123 2HB LEU 123 7.176 6.617 1.051 926 HB3 LEU 123 3HB LEU 123 7.848 5.995 2.546 927 HG LEU 123 HG LEU 123 9.205 4.378 1.279 928 HD11 LEU 123 1HD1 LEU 123 7.717 4.071 -0.642 929 HD12 LEU 123 2HD1 LEU 123 9.350 4.493 -1.153 930 HD13 LEU 123 3HD1 LEU 123 8.074 5.711 -1.186 931 HD21 LEU 123 3HD2 LEU 123 10.122 6.598 1.819 932 HD22 LEU 123 1HD2 LEU 123 9.536 7.209 0.270 933 HD23 LEU 123 2HD2 LEU 123 10.781 5.958 0.314 934 H SER 124 H SER 124 6.793 4.434 4.133 935 HA SER 124 HA SER 124 8.310 2.111 4.347 936 HB2 SER 124 2HB SER 124 7.999 3.544 6.274 937 HB3 SER 124 3HB SER 124 6.260 3.250 6.274 938 HG SER 124 HG SER 124 7.119 1.913 7.811 939 H CYS 125 H CYS 125 4.765 2.441 4.397 940 HA CYS 125 HA CYS 125 4.189 -0.300 4.785 941 HB2 CYS 125 2HB CYS 125 2.481 1.832 3.473 942 HB3 CYS 125 3HB CYS 125 1.906 0.271 4.053 943 HG CYS 125 HG CYS 125 2.553 3.077 5.761 944 H VAL 126 H VAL 126 4.439 1.644 1.814 945 HA VAL 126 HA VAL 126 3.696 -0.350 -0.021 946 HB VAL 126 HB VAL 126 5.624 1.953 -0.438 947 HG11 VAL 126 1HG1 VAL 126 5.024 1.737 -2.830 948 HG12 VAL 126 2HG1 VAL 126 4.135 0.261 -2.452 949 HG13 VAL 126 3HG1 VAL 126 5.881 0.325 -2.212 950 HG21 VAL 126 3HG2 VAL 126 2.646 1.772 -0.925 951 HG22 VAL 126 1HG2 VAL 126 3.676 3.142 -1.347 952 HG23 VAL 126 2HG2 VAL 126 3.440 2.704 0.346 953 H GLN 127 H GLN 127 6.928 0.572 1.180 954 HA GLN 127 HA GLN 127 8.447 -1.290 -0.247 955 HB2 GLN 127 2HB GLN 127 8.917 -0.186 2.537 956 HB3 GLN 127 3HB GLN 127 10.123 -1.042 1.582 957 HG2 GLN 127 2HG GLN 127 10.049 0.700 -0.116 958 HG3 GLN 127 3HG GLN 127 8.799 1.550 0.790 959 HE21 GLN 127 1HE2 GLN 127 11.445 2.438 -0.031 960 HE22 GLN 127 2HE2 GLN 127 12.257 2.911 1.420 961 H GLU 128 H GLU 128 6.905 -1.620 2.958 962 HA GLU 128 HA GLU 128 7.649 -4.262 3.496 963 HB2 GLU 128 2HB GLU 128 6.595 -2.807 5.171 964 HB3 GLU 128 3HB GLU 128 5.093 -2.825 4.260 965 HG2 GLU 128 2HG GLU 128 4.771 -4.327 6.034 966 HG3 GLU 128 3HG GLU 128 5.052 -5.334 4.618 967 H ILE 129 H ILE 129 4.615 -3.095 1.975 968 HA ILE 129 HA ILE 129 3.371 -5.532 1.546 969 HB ILE 129 HB ILE 129 3.252 -3.060 -0.203 970 HG12 ILE 129 2HG1 ILE 129 1.372 -4.024 1.973 971 HG13 ILE 129 3HG1 ILE 129 2.567 -2.748 2.173 972 HG21 ILE 129 1HG2 ILE 129 1.111 -3.939 -1.040 973 HG22 ILE 129 2HG2 ILE 129 1.380 -5.433 -0.143 974 HG23 ILE 129 3HG2 ILE 129 2.463 -4.991 -1.463 975 HD11 ILE 129 3HD1 ILE 129 0.349 -1.832 1.836 976 HD12 ILE 129 1HD1 ILE 129 0.209 -2.686 0.299 977 HD13 ILE 129 2HD1 ILE 129 1.408 -1.406 0.492 978 H SER 130 H SER 130 5.455 -3.799 -0.787 979 HA SER 130 HA SER 130 5.429 -5.785 -2.784 980 HB2 SER 130 2HB SER 130 7.400 -4.650 -3.709 981 HB3 SER 130 3HB SER 130 6.198 -3.470 -3.192 982 HG SER 130 HG SER 130 7.429 -3.169 -1.281 983 H ASP 131 H ASP 131 7.669 -5.244 -0.078 984 HA ASP 131 HA ASP 131 9.505 -7.278 -0.739 985 HB2 ASP 131 2HB ASP 131 9.997 -5.431 0.818 986 HB3 ASP 131 3HB ASP 131 8.867 -6.115 1.984 987 H VAL 132 H VAL 132 6.559 -7.342 1.250 988 HA VAL 132 HA VAL 132 6.765 -9.925 2.295 989 HB VAL 132 HB VAL 132 4.199 -8.597 1.364 990 HG11 VAL 132 1HG1 VAL 132 4.678 -10.841 3.328 991 HG12 VAL 132 2HG1 VAL 132 3.913 -10.976 1.743 992 HG13 VAL 132 3HG1 VAL 132 3.119 -10.065 3.027 993 HG21 VAL 132 3HG2 VAL 132 5.510 -8.522 4.087 994 HG22 VAL 132 1HG2 VAL 132 3.932 -7.846 3.680 995 HG23 VAL 132 2HG2 VAL 132 5.392 -7.176 2.959 996 H VAL 133 H VAL 133 5.525 -8.833 -0.835 997 HA VAL 133 HA VAL 133 4.808 -11.411 -1.807 998 HB VAL 133 HB VAL 133 5.526 -8.932 -3.399 999 HG11 VAL 133 1HG1 VAL 133 3.955 -11.391 -4.176 1000 HG12 VAL 133 2HG1 VAL 133 5.532 -10.901 -4.799 1001 HG13 VAL 133 3HG1 VAL 133 4.104 -9.929 -5.153 1002 HG21 VAL 133 3HG2 VAL 133 3.134 -8.448 -3.441 1003 HG22 VAL 133 1HG2 VAL 133 3.740 -8.480 -1.785 1004 HG23 VAL 133 2HG2 VAL 133 2.818 -9.847 -2.413 1005 H GLN 134 H GLN 134 7.789 -9.554 -1.807 1006 HA GLN 134 HA GLN 134 9.172 -11.308 -3.636 1007 HB2 GLN 134 2HB GLN 134 10.214 -9.106 -1.833 1008 HB3 GLN 134 3HB GLN 134 11.167 -9.952 -3.048 1009 HG2 GLN 134 2HG GLN 134 9.687 -9.118 -4.803 1010 HG3 GLN 134 3HG GLN 134 8.720 -8.278 -3.593 1011 HE21 GLN 134 1HE2 GLN 134 10.211 -7.244 -5.893 1012 HE22 GLN 134 2HE2 GLN 134 11.301 -6.066 -5.253 1013 H ARG 135 H ARG 135 8.366 -11.561 -0.365 1014 HA ARG 135 HA ARG 135 10.655 -13.078 0.510 1015 HB2 ARG 135 2HB ARG 135 7.879 -12.743 1.662 1016 HB3 ARG 135 3HB ARG 135 9.136 -13.698 2.439 1017 HG2 ARG 135 2HG ARG 135 10.514 -11.748 2.739 1018 HG3 ARG 135 3HG ARG 135 9.393 -10.763 1.796 1019 HD2 ARG 135 2HD ARG 135 7.674 -11.026 3.475 1020 HD3 ARG 135 3HD ARG 135 8.684 -12.151 4.385 1021 HE ARG 135 HE ARG 135 10.243 -10.172 4.620 1022 HH11 ARG 135 1HH1 ARG 135 6.835 -9.786 4.348 1023 HH12 ARG 135 2HH1 ARG 135 6.835 -8.276 5.189 1024 HH21 ARG 135 1HH2 ARG 135 10.201 -8.261 5.757 1025 HH22 ARG 135 2HH2 ARG 135 8.693 -7.439 5.981 Start of MODEL 2 1 H1 MET 1 1H MET 1 -4.585 26.263 32.224 2 H2 MET 1 2H MET 1 -3.516 26.632 33.479 3 H3 MET 1 3H MET 1 -3.119 25.430 32.358 4 HA MET 1 HA MET 1 -3.428 28.324 31.780 5 HB2 MET 1 2HB MET 1 -0.962 26.565 31.893 6 HB3 MET 1 3HB MET 1 -0.979 28.224 31.311 7 HG2 MET 1 2HG MET 1 -1.645 29.020 33.503 8 HG3 MET 1 3HG MET 1 -1.727 27.364 34.102 9 HE1 MET 1 3HE MET 1 -0.148 28.157 36.148 10 HE2 MET 1 1HE MET 1 -0.087 29.775 35.447 11 HE3 MET 1 2HE MET 1 1.406 28.955 35.903 12 H GLY 2 H GLY 2 -1.842 25.433 30.371 13 HA2 GLY 2 2HA GLY 2 -2.242 26.238 27.681 14 HA3 GLY 2 3HA GLY 2 -1.798 24.626 28.221 15 H HIS 3 H HIS 3 -4.498 26.790 27.619 16 HA HIS 3 HA HIS 3 -6.482 24.721 27.999 17 HB2 HIS 3 2HB HIS 3 -8.052 26.579 27.172 18 HB3 HIS 3 3HB HIS 3 -7.207 26.848 28.691 19 HD1 HIS 3 HD1 HIS 3 -5.514 28.740 28.787 20 HD2 HIS 3 HD2 HIS 3 -7.205 28.245 25.023 21 HE1 HIS 3 HE1 HIS 3 -4.831 30.762 27.475 22 HE2 HIS 3 HE2 HIS 3 -5.794 30.407 25.179 23 H HIS 4 H HIS 4 -6.726 23.189 26.517 24 HA HIS 4 HA HIS 4 -7.042 23.974 23.694 25 HB2 HIS 4 2HB HIS 4 -5.459 21.607 24.732 26 HB3 HIS 4 3HB HIS 4 -5.940 21.800 23.049 27 HD1 HIS 4 HD1 HIS 4 -3.204 22.485 25.270 28 HD2 HIS 4 HD2 HIS 4 -4.843 24.358 21.943 29 HE1 HIS 4 HE1 HIS 4 -1.416 24.025 24.414 30 HE2 HIS 4 HE2 HIS 4 -2.353 24.956 22.272 31 H HIS 5 H HIS 5 -8.435 22.606 22.448 32 HA HIS 5 HA HIS 5 -9.959 20.526 23.751 33 HB2 HIS 5 2HB HIS 5 -12.163 21.736 23.410 34 HB3 HIS 5 3HB HIS 5 -11.152 22.352 24.713 35 HD1 HIS 5 HD1 HIS 5 -10.265 24.730 24.503 36 HD2 HIS 5 HD2 HIS 5 -12.396 23.482 21.164 37 HE1 HIS 5 HE1 HIS 5 -10.621 26.794 23.126 38 HE2 HIS 5 HE2 HIS 5 -12.057 26.046 21.207 39 H HIS 6 H HIS 6 -10.591 19.061 22.278 40 HA HIS 6 HA HIS 6 -11.232 19.947 19.542 41 HB2 HIS 6 2HB HIS 6 -9.404 17.637 20.253 42 HB3 HIS 6 3HB HIS 6 -10.080 17.897 18.649 43 HD1 HIS 6 HD1 HIS 6 -7.227 18.736 20.718 44 HD2 HIS 6 HD2 HIS 6 -9.176 20.432 17.466 45 HE1 HIS 6 HE1 HIS 6 -5.603 20.373 19.743 46 HE2 HIS 6 HE2 HIS 6 -6.713 21.202 17.647 47 H HIS 7 H HIS 7 -13.173 19.252 18.956 48 HA HIS 7 HA HIS 7 -14.103 16.597 19.831 49 HB2 HIS 7 2HB HIS 7 -15.186 18.334 21.250 50 HB3 HIS 7 3HB HIS 7 -15.823 19.098 19.797 51 HD1 HIS 7 HD1 HIS 7 -16.378 16.231 22.111 52 HD2 HIS 7 HD2 HIS 7 -17.978 17.715 18.574 53 HE1 HIS 7 HE1 HIS 7 -18.550 15.020 21.795 54 HE2 HIS 7 HE2 HIS 7 -19.422 15.815 19.575 55 H HIS 8 H HIS 8 -14.217 15.465 17.983 56 HA HIS 8 HA HIS 8 -15.114 16.830 15.529 57 HB2 HIS 8 2HB HIS 8 -14.013 14.993 14.295 58 HB3 HIS 8 3HB HIS 8 -12.891 15.866 15.331 59 HD1 HIS 8 HD1 HIS 8 -11.717 14.546 17.164 60 HD2 HIS 8 HD2 HIS 8 -14.630 12.345 15.172 61 HE1 HIS 8 HE1 HIS 8 -11.403 12.173 17.916 62 HE2 HIS 8 HE2 HIS 8 -13.299 10.911 16.859 63 H SER 9 H SER 9 -16.197 15.244 13.917 64 HA SER 9 HA SER 9 -18.572 14.219 15.201 65 HB2 SER 9 2HB SER 9 -18.781 15.410 13.078 66 HB3 SER 9 3HB SER 9 -17.759 14.216 12.280 67 HG SER 9 HG SER 9 -19.584 13.251 11.888 68 H HIS 10 H HIS 10 -18.716 12.246 16.035 69 HA HIS 10 HA HIS 10 -16.872 10.143 15.353 70 HB2 HIS 10 2HB HIS 10 -17.666 10.413 17.660 71 HB3 HIS 10 3HB HIS 10 -19.322 10.120 17.143 72 HD1 HIS 10 HD1 HIS 10 -19.952 7.648 16.542 73 HD2 HIS 10 HD2 HIS 10 -16.101 8.135 18.028 74 HE1 HIS 10 HE1 HIS 10 -19.159 5.340 17.124 75 HE2 HIS 10 HE2 HIS 10 -16.791 5.646 17.913 76 H MET 11 H MET 11 -17.137 9.213 13.366 77 HA MET 11 HA MET 11 -19.631 8.726 12.111 78 HB2 MET 11 2HB MET 11 -16.945 7.392 11.682 79 HB3 MET 11 3HB MET 11 -18.345 7.154 10.645 80 HG2 MET 11 2HG MET 11 -18.340 9.562 10.117 81 HG3 MET 11 3HG MET 11 -16.900 9.761 11.114 82 HE1 MET 11 3HE MET 11 -14.247 7.657 9.141 83 HE2 MET 11 1HE MET 11 -15.287 7.075 10.442 84 HE3 MET 11 2HE MET 11 -14.551 8.675 10.551 85 H ALA 12 H ALA 12 -20.739 6.708 11.788 86 HA ALA 12 HA ALA 12 -21.258 5.391 14.220 87 HB1 ALA 12 3HB ALA 12 -22.074 4.537 11.447 88 HB2 ALA 12 1HB ALA 12 -22.928 5.705 12.454 89 HB3 ALA 12 2HB ALA 12 -22.810 4.019 12.964 90 H ASN 13 H ASN 13 -21.259 3.047 14.591 91 HA ASN 13 HA ASN 13 -18.653 2.003 14.506 92 HB2 ASN 13 2HB ASN 13 -21.203 0.476 15.053 93 HB3 ASN 13 3HB ASN 13 -19.581 0.036 15.578 94 HD21 ASN 13 1HD2 ASN 13 -20.175 0.028 17.731 95 HD22 ASN 13 2HD2 ASN 13 -20.515 1.473 18.607 96 H GLY 14 H GLY 14 -21.287 1.657 12.303 97 HA2 GLY 14 2HA GLY 14 -20.245 -0.726 11.010 98 HA3 GLY 14 3HA GLY 14 -21.655 0.197 10.517 99 H ALA 15 H ALA 15 -20.698 2.674 10.068 100 HA ALA 15 HA ALA 15 -19.590 4.045 8.644 101 HB1 ALA 15 3HB ALA 15 -17.535 3.170 9.666 102 HB2 ALA 15 1HB ALA 15 -17.311 3.556 7.960 103 HB3 ALA 15 2HB ALA 15 -17.495 1.877 8.468 104 H ALA 16 H ALA 16 -19.014 0.788 7.278 105 HA ALA 16 HA ALA 16 -20.549 1.551 4.885 106 HB1 ALA 16 3HB ALA 16 -17.809 0.278 4.776 107 HB2 ALA 16 1HB ALA 16 -18.150 1.976 4.441 108 HB3 ALA 16 2HB ALA 16 -18.822 0.719 3.403 109 H GLY 17 H GLY 17 -20.140 -0.750 3.373 110 HA2 GLY 17 2HA GLY 17 -21.787 -2.669 4.722 111 HA3 GLY 17 3HA GLY 17 -21.061 -2.853 3.132 112 H THR 18 H THR 18 -20.270 -2.951 6.591 113 HA THR 18 HA THR 18 -17.689 -3.819 6.594 114 HB THR 18 HB THR 18 -19.740 -4.930 8.520 115 HG1 THR 18 HG1 THR 18 -18.412 -2.442 8.841 116 HG21 THR 18 3HG2 THR 18 -16.829 -4.167 8.865 117 HG22 THR 18 1HG2 THR 18 -17.469 -5.809 8.789 118 HG23 THR 18 2HG2 THR 18 -17.895 -4.759 10.140 119 H LYS 19 H LYS 19 -20.545 -5.946 6.443 120 HA LYS 19 HA LYS 19 -19.246 -8.400 6.630 121 HB2 LYS 19 2HB LYS 19 -21.278 -9.355 5.583 122 HB3 LYS 19 3HB LYS 19 -21.641 -8.211 6.867 123 HG2 LYS 19 2HG LYS 19 -22.014 -6.470 5.095 124 HG3 LYS 19 3HG LYS 19 -21.861 -7.755 3.896 125 HD2 LYS 19 2HD LYS 19 -24.209 -7.335 4.377 126 HD3 LYS 19 3HD LYS 19 -23.753 -8.941 4.946 127 HE2 LYS 19 2HE LYS 19 -23.544 -8.075 7.227 128 HE3 LYS 19 3HE LYS 19 -23.969 -6.461 6.660 129 HZ1 LYS 19 3HZ LYS 19 -26.135 -7.309 6.001 130 HZ2 LYS 19 1HZ LYS 19 -25.862 -7.584 7.648 131 HZ3 LYS 19 2HZ LYS 19 -25.723 -8.856 6.543 132 H VAL 20 H VAL 20 -19.751 -6.382 3.761 133 HA VAL 20 HA VAL 20 -18.457 -8.402 2.086 134 HB VAL 20 HB VAL 20 -19.685 -5.782 1.214 135 HG11 VAL 20 1HG1 VAL 20 -18.031 -6.635 -0.369 136 HG12 VAL 20 2HG1 VAL 20 -19.658 -6.764 -1.036 137 HG13 VAL 20 3HG1 VAL 20 -18.850 -8.197 -0.401 138 HG21 VAL 20 3HG2 VAL 20 -21.613 -7.111 0.470 139 HG22 VAL 20 1HG2 VAL 20 -21.379 -7.228 2.213 140 HG23 VAL 20 2HG2 VAL 20 -20.885 -8.559 1.167 141 H ALA 21 H ALA 21 -17.779 -5.531 3.689 142 HA ALA 21 HA ALA 21 -15.735 -4.444 2.042 143 HB1 ALA 21 3HB ALA 21 -15.171 -3.043 3.957 144 HB2 ALA 21 1HB ALA 21 -16.165 -4.054 5.008 145 HB3 ALA 21 2HB ALA 21 -16.919 -3.107 3.724 146 H LEU 22 H LEU 22 -15.716 -6.813 4.644 147 HA LEU 22 HA LEU 22 -12.904 -6.980 4.987 148 HB2 LEU 22 2HB LEU 22 -15.033 -9.077 5.471 149 HB3 LEU 22 3HB LEU 22 -13.381 -9.160 6.059 150 HG LEU 22 HG LEU 22 -15.429 -7.078 6.858 151 HD11 LEU 22 1HD1 LEU 22 -14.293 -9.403 8.414 152 HD12 LEU 22 2HD1 LEU 22 -15.933 -9.282 7.773 153 HD13 LEU 22 3HD1 LEU 22 -15.398 -8.177 9.038 154 HD21 LEU 22 3HD2 LEU 22 -13.767 -6.384 8.528 155 HD22 LEU 22 1HD2 LEU 22 -13.170 -6.158 6.884 156 HD23 LEU 22 2HD2 LEU 22 -12.607 -7.523 7.848 157 H ARG 23 H ARG 23 -15.006 -8.153 2.530 158 HA ARG 23 HA ARG 23 -14.674 -9.235 0.567 159 HB2 ARG 23 2HB ARG 23 -12.826 -7.495 0.507 160 HB3 ARG 23 3HB ARG 23 -11.722 -8.766 1.015 161 HG2 ARG 23 2HG ARG 23 -12.084 -9.992 -1.013 162 HG3 ARG 23 3HG ARG 23 -13.403 -8.917 -1.485 163 HD2 ARG 23 2HD ARG 23 -10.486 -8.170 -1.223 164 HD3 ARG 23 3HD ARG 23 -11.386 -8.376 -2.726 165 HE ARG 23 HE ARG 23 -12.174 -6.317 -0.782 166 HH11 ARG 23 1HH1 ARG 23 -11.178 -7.198 -3.952 167 HH12 ARG 23 2HH1 ARG 23 -11.440 -5.615 -4.588 168 HH21 ARG 23 1HH2 ARG 23 -12.493 -4.280 -1.624 169 HH22 ARG 23 2HH2 ARG 23 -12.153 -3.990 -3.295 170 H LYS 24 H LYS 24 -14.430 -10.742 3.193 171 HA LYS 24 HA LYS 24 -12.646 -12.929 2.727 172 HB2 LYS 24 2HB LYS 24 -14.990 -12.665 4.624 173 HB3 LYS 24 3HB LYS 24 -13.841 -13.998 4.633 174 HG2 LYS 24 2HG LYS 24 -12.027 -12.435 5.143 175 HG3 LYS 24 3HG LYS 24 -13.179 -11.097 5.137 176 HD2 LYS 24 2HD LYS 24 -14.392 -12.155 7.000 177 HD3 LYS 24 3HD LYS 24 -13.219 -13.473 7.009 178 HE2 LYS 24 2HE LYS 24 -11.432 -11.872 7.542 179 HE3 LYS 24 3HE LYS 24 -12.610 -10.560 7.541 180 HZ1 LYS 24 3HZ LYS 24 -12.495 -12.855 9.418 181 HZ2 LYS 24 1HZ LYS 24 -13.775 -11.749 9.354 182 HZ3 LYS 24 2HZ LYS 24 -12.224 -11.225 9.777 183 H THR 25 H THR 25 -15.972 -12.285 1.871 184 HA THR 25 HA THR 25 -16.270 -15.040 0.844 185 HB THR 25 HB THR 25 -18.027 -14.461 2.420 186 HG1 THR 25 HG1 THR 25 -19.488 -15.387 1.192 187 HG21 THR 25 3HG2 THR 25 -19.622 -12.645 1.977 188 HG22 THR 25 1HG2 THR 25 -18.675 -12.149 0.575 189 HG23 THR 25 2HG2 THR 25 -17.989 -12.018 2.194 190 H LYS 26 H LYS 26 -16.579 -15.414 -1.300 191 HA LYS 26 HA LYS 26 -16.601 -13.065 -3.097 192 HB2 LYS 26 2HB LYS 26 -15.675 -15.869 -3.782 193 HB3 LYS 26 3HB LYS 26 -15.468 -14.410 -4.745 194 HG2 LYS 26 2HG LYS 26 -14.024 -13.504 -2.894 195 HG3 LYS 26 3HG LYS 26 -14.110 -15.100 -2.141 196 HD2 LYS 26 2HD LYS 26 -13.195 -16.066 -4.265 197 HD3 LYS 26 3HD LYS 26 -12.966 -14.420 -4.855 198 HE2 LYS 26 2HE LYS 26 -10.874 -15.178 -4.001 199 HE3 LYS 26 3HE LYS 26 -11.513 -13.999 -2.856 200 HZ1 LYS 26 3HZ LYS 26 -11.690 -16.948 -2.562 201 HZ2 LYS 26 1HZ LYS 26 -12.248 -15.807 -1.446 202 HZ3 LYS 26 2HZ LYS 26 -10.595 -15.950 -1.754 203 H GLN 27 H GLN 27 -17.938 -13.143 -5.002 204 HA GLN 27 HA GLN 27 -20.349 -14.758 -4.563 205 HB2 GLN 27 2HB GLN 27 -21.451 -13.131 -6.109 206 HB3 GLN 27 3HB GLN 27 -20.817 -12.429 -4.630 207 HG2 GLN 27 2HG GLN 27 -18.860 -11.612 -5.875 208 HG3 GLN 27 3HG GLN 27 -19.535 -12.286 -7.357 209 HE21 GLN 27 1HE2 GLN 27 -22.279 -11.546 -6.656 210 HE22 GLN 27 2HE2 GLN 27 -22.376 -9.836 -6.864 211 H ALA 28 H ALA 28 -18.365 -13.751 -7.399 212 HA ALA 28 HA ALA 28 -18.715 -16.356 -8.613 213 HB1 ALA 28 3HB ALA 28 -19.809 -15.545 -10.646 214 HB2 ALA 28 1HB ALA 28 -19.935 -13.930 -9.943 215 HB3 ALA 28 2HB ALA 28 -20.820 -15.276 -9.228 216 H ALA 29 H ALA 29 -17.053 -16.848 -9.964 217 HA ALA 29 HA ALA 29 -14.690 -15.402 -9.944 218 HB1 ALA 29 3HB ALA 29 -14.837 -17.798 -10.428 219 HB2 ALA 29 1HB ALA 29 -13.882 -16.948 -11.643 220 HB3 ALA 29 2HB ALA 29 -15.538 -17.439 -12.006 221 H GLU 30 H GLU 30 -17.322 -15.215 -12.256 222 HA GLU 30 HA GLU 30 -16.105 -13.839 -14.355 223 HB2 GLU 30 2HB GLU 30 -18.928 -13.587 -13.288 224 HB3 GLU 30 3HB GLU 30 -18.388 -12.909 -14.818 225 HG2 GLU 30 2HG GLU 30 -17.895 -15.143 -15.655 226 HG3 GLU 30 3HG GLU 30 -18.384 -15.842 -14.111 227 H LYS 31 H LYS 31 -17.125 -12.661 -11.226 228 HA LYS 31 HA LYS 31 -16.578 -9.874 -12.049 229 HB2 LYS 31 2HB LYS 31 -18.944 -10.401 -11.485 230 HB3 LYS 31 3HB LYS 31 -18.433 -10.859 -9.868 231 HG2 LYS 31 2HG LYS 31 -17.681 -8.561 -9.456 232 HG3 LYS 31 3HG LYS 31 -18.193 -8.106 -11.086 233 HD2 LYS 31 2HD LYS 31 -20.500 -8.699 -10.537 234 HD3 LYS 31 3HD LYS 31 -20.001 -9.195 -8.919 235 HE2 LYS 31 2HE LYS 31 -19.254 -6.877 -8.481 236 HE3 LYS 31 3HE LYS 31 -19.846 -6.408 -10.076 237 HZ1 LYS 31 3HZ LYS 31 -22.072 -7.148 -9.373 238 HZ2 LYS 31 1HZ LYS 31 -21.483 -5.878 -8.425 239 HZ3 LYS 31 2HZ LYS 31 -21.471 -7.457 -7.826 240 H ILE 32 H ILE 32 -15.382 -12.373 -10.119 241 HA ILE 32 HA ILE 32 -14.557 -10.933 -7.807 242 HB ILE 32 HB ILE 32 -13.461 -13.485 -9.012 243 HG12 ILE 32 2HG1 ILE 32 -15.184 -13.068 -6.552 244 HG13 ILE 32 3HG1 ILE 32 -15.815 -13.521 -8.129 245 HG21 ILE 32 1HG2 ILE 32 -11.712 -12.429 -7.693 246 HG22 ILE 32 2HG2 ILE 32 -12.338 -13.839 -6.840 247 HG23 ILE 32 3HG2 ILE 32 -12.824 -12.220 -6.340 248 HD11 ILE 32 3HD1 ILE 32 -14.538 -15.593 -8.057 249 HD12 ILE 32 1HD1 ILE 32 -15.602 -15.446 -6.660 250 HD13 ILE 32 2HD1 ILE 32 -13.874 -15.136 -6.488 251 H SER 33 H SER 33 -13.011 -9.437 -7.606 252 HA SER 33 HA SER 33 -10.997 -9.060 -9.666 253 HB2 SER 33 2HB SER 33 -12.067 -7.099 -8.604 254 HB3 SER 33 3HB SER 33 -11.399 -7.581 -7.046 255 HG SER 33 HG SER 33 -9.731 -6.443 -7.609 256 H ALA 34 H ALA 34 -11.184 -10.301 -6.393 257 HA ALA 34 HA ALA 34 -8.574 -10.212 -5.531 258 HB1 ALA 34 3HB ALA 34 -10.434 -10.896 -4.119 259 HB2 ALA 34 1HB ALA 34 -9.133 -12.087 -4.057 260 HB3 ALA 34 2HB ALA 34 -10.578 -12.407 -5.015 261 H ASP 35 H ASP 35 -10.029 -13.111 -7.075 262 HA ASP 35 HA ASP 35 -7.672 -14.575 -7.320 263 HB2 ASP 35 2HB ASP 35 -10.224 -14.646 -8.932 264 HB3 ASP 35 3HB ASP 35 -8.924 -15.815 -9.146 265 H LYS 36 H LYS 36 -8.835 -11.957 -9.277 266 HA LYS 36 HA LYS 36 -7.193 -12.518 -11.563 267 HB2 LYS 36 2HB LYS 36 -9.266 -11.297 -11.860 268 HB3 LYS 36 3HB LYS 36 -8.750 -10.052 -10.736 269 HG2 LYS 36 2HG LYS 36 -7.117 -10.541 -13.189 270 HG3 LYS 36 3HG LYS 36 -8.649 -9.678 -13.340 271 HD2 LYS 36 2HD LYS 36 -7.910 -7.969 -11.818 272 HD3 LYS 36 3HD LYS 36 -6.455 -8.879 -11.414 273 HE2 LYS 36 2HE LYS 36 -5.930 -7.065 -12.948 274 HE3 LYS 36 3HE LYS 36 -5.661 -8.627 -13.719 275 HZ1 LYS 36 3HZ LYS 36 -7.775 -8.394 -14.859 276 HZ2 LYS 36 1HZ LYS 36 -6.772 -7.074 -15.194 277 HZ3 LYS 36 2HZ LYS 36 -8.049 -6.908 -14.103 278 H ILE 37 H ILE 37 -6.849 -10.587 -8.629 279 HA ILE 37 HA ILE 37 -4.731 -8.929 -9.447 280 HB ILE 37 HB ILE 37 -5.228 -9.943 -6.640 281 HG12 ILE 37 2HG1 ILE 37 -7.271 -8.948 -7.515 282 HG13 ILE 37 3HG1 ILE 37 -6.546 -7.850 -6.345 283 HG21 ILE 37 1HG2 ILE 37 -3.056 -8.900 -6.863 284 HG22 ILE 37 2HG2 ILE 37 -4.130 -7.831 -5.960 285 HG23 ILE 37 3HG2 ILE 37 -3.774 -7.497 -7.656 286 HD11 ILE 37 3HD1 ILE 37 -5.650 -6.502 -8.173 287 HD12 ILE 37 1HD1 ILE 37 -7.404 -6.650 -8.264 288 HD13 ILE 37 2HD1 ILE 37 -6.383 -7.602 -9.341 289 H SER 38 H SER 38 -2.869 -9.632 -10.266 290 HA SER 38 HA SER 38 -1.556 -12.020 -9.149 291 HB2 SER 38 2HB SER 38 -0.899 -10.470 -11.674 292 HB3 SER 38 3HB SER 38 -0.175 -11.998 -11.175 293 HG SER 38 HG SER 38 -2.880 -12.172 -11.218 294 H LYS 39 H LYS 39 0.748 -11.985 -8.738 295 HA LYS 39 HA LYS 39 1.776 -10.044 -7.111 296 HB2 LYS 39 2HB LYS 39 2.862 -12.173 -7.301 297 HB3 LYS 39 3HB LYS 39 3.198 -11.923 -9.009 298 HG2 LYS 39 2HG LYS 39 4.727 -10.056 -8.376 299 HG3 LYS 39 3HG LYS 39 4.461 -10.473 -6.683 300 HD2 LYS 39 2HD LYS 39 5.608 -12.322 -8.782 301 HD3 LYS 39 3HD LYS 39 6.544 -11.445 -7.572 302 HE2 LYS 39 2HE LYS 39 5.378 -12.655 -5.790 303 HE3 LYS 39 3HE LYS 39 4.428 -13.524 -6.997 304 HZ1 LYS 39 3HZ LYS 39 6.283 -14.853 -6.226 305 HZ2 LYS 39 1HZ LYS 39 7.378 -13.652 -6.693 306 HZ3 LYS 39 2HZ LYS 39 6.477 -14.473 -7.861 307 H GLU 40 H GLU 40 2.674 -10.394 -10.534 308 HA GLU 40 HA GLU 40 4.182 -8.100 -10.840 309 HB2 GLU 40 2HB GLU 40 3.642 -8.332 -13.278 310 HB3 GLU 40 3HB GLU 40 4.201 -9.813 -12.511 311 HG2 GLU 40 2HG GLU 40 1.832 -10.538 -12.302 312 HG3 GLU 40 3HG GLU 40 1.352 -9.100 -13.202 313 H ALA 41 H ALA 41 0.665 -8.439 -11.093 314 HA ALA 41 HA ALA 41 0.179 -5.850 -12.190 315 HB1 ALA 41 3HB ALA 41 -1.404 -7.708 -12.447 316 HB2 ALA 41 1HB ALA 41 -2.169 -6.298 -11.717 317 HB3 ALA 41 2HB ALA 41 -1.722 -7.678 -10.712 318 H LEU 42 H LEU 42 0.410 -7.112 -8.922 319 HA LEU 42 HA LEU 42 -0.570 -4.725 -7.651 320 HB2 LEU 42 2HB LEU 42 -0.667 -7.040 -6.684 321 HB3 LEU 42 3HB LEU 42 1.067 -6.972 -6.454 322 HG LEU 42 HG LEU 42 -0.753 -4.934 -5.166 323 HD11 LEU 42 1HD1 LEU 42 0.028 -7.617 -4.020 324 HD12 LEU 42 2HD1 LEU 42 -1.592 -7.136 -4.523 325 HD13 LEU 42 3HD1 LEU 42 -0.818 -6.326 -3.163 326 HD21 LEU 42 3HD2 LEU 42 1.064 -4.776 -3.532 327 HD22 LEU 42 1HD2 LEU 42 1.650 -4.441 -5.159 328 HD23 LEU 42 2HD2 LEU 42 1.975 -6.004 -4.409 329 H LEU 43 H LEU 43 2.644 -6.151 -8.173 330 HA LEU 43 HA LEU 43 4.177 -4.270 -6.803 331 HB2 LEU 43 2HB LEU 43 4.914 -5.886 -9.246 332 HB3 LEU 43 3HB LEU 43 6.061 -5.027 -8.235 333 HG LEU 43 HG LEU 43 4.337 -7.363 -7.376 334 HD11 LEU 43 1HD1 LEU 43 6.465 -8.561 -7.189 335 HD12 LEU 43 2HD1 LEU 43 7.317 -7.152 -7.823 336 HD13 LEU 43 3HD1 LEU 43 6.168 -8.021 -8.842 337 HD21 LEU 43 3HD2 LEU 43 5.562 -7.272 -5.265 338 HD22 LEU 43 1HD2 LEU 43 4.677 -5.772 -5.539 339 HD23 LEU 43 2HD2 LEU 43 6.419 -5.828 -5.809 340 H GLU 44 H GLU 44 3.255 -4.260 -10.263 341 HA GLU 44 HA GLU 44 4.687 -1.966 -11.003 342 HB2 GLU 44 2HB GLU 44 3.235 -1.830 -12.949 343 HB3 GLU 44 3HB GLU 44 3.662 -3.506 -12.636 344 HG2 GLU 44 2HG GLU 44 1.500 -3.962 -11.719 345 HG3 GLU 44 3HG GLU 44 1.066 -2.254 -11.756 346 H CYS 45 H CYS 45 1.414 -2.262 -9.665 347 HA CYS 45 HA CYS 45 0.763 0.501 -9.958 348 HB2 CYS 45 2HB CYS 45 -0.468 -1.627 -8.192 349 HB3 CYS 45 3HB CYS 45 -1.147 -0.021 -8.450 350 HG CYS 45 HG CYS 45 -1.377 -2.739 -10.343 351 H ALA 46 H ALA 46 2.063 -1.426 -7.276 352 HA ALA 46 HA ALA 46 2.051 0.638 -5.338 353 HB1 ALA 46 3HB ALA 46 3.925 -1.725 -5.508 354 HB2 ALA 46 1HB ALA 46 2.305 -1.758 -4.808 355 HB3 ALA 46 2HB ALA 46 3.563 -0.766 -4.073 356 H ASP 47 H ASP 47 4.430 -0.314 -7.772 357 HA ASP 47 HA ASP 47 6.578 1.312 -7.056 358 HB2 ASP 47 2HB ASP 47 6.814 -0.367 -8.769 359 HB3 ASP 47 3HB ASP 47 5.602 0.415 -9.779 360 H LEU 48 H LEU 48 3.544 2.173 -8.584 361 HA LEU 48 HA LEU 48 4.259 4.754 -9.488 362 HB2 LEU 48 2HB LEU 48 1.600 3.622 -8.612 363 HB3 LEU 48 3HB LEU 48 1.785 5.223 -9.305 364 HG LEU 48 HG LEU 48 2.498 2.641 -10.713 365 HD11 LEU 48 1HD1 LEU 48 0.534 3.087 -12.105 366 HD12 LEU 48 2HD1 LEU 48 0.133 4.480 -11.100 367 HD13 LEU 48 3HD1 LEU 48 0.084 2.855 -10.415 368 HD21 LEU 48 3HD2 LEU 48 3.883 4.501 -11.438 369 HD22 LEU 48 1HD2 LEU 48 2.452 5.503 -11.680 370 HD23 LEU 48 2HD2 LEU 48 2.720 4.084 -12.696 371 H LEU 49 H LEU 49 3.021 3.599 -6.369 372 HA LEU 49 HA LEU 49 2.742 6.168 -5.188 373 HB2 LEU 49 2HB LEU 49 3.004 3.417 -3.971 374 HB3 LEU 49 3HB LEU 49 2.796 4.863 -3.003 375 HG LEU 49 HG LEU 49 0.628 5.285 -4.170 376 HD11 LEU 49 1HD1 LEU 49 -0.415 3.483 -5.441 377 HD12 LEU 49 2HD1 LEU 49 1.067 2.532 -5.331 378 HD13 LEU 49 3HD1 LEU 49 1.056 4.049 -6.231 379 HD21 LEU 49 3HD2 LEU 49 0.899 2.643 -2.729 380 HD22 LEU 49 1HD2 LEU 49 -0.616 3.509 -2.992 381 HD23 LEU 49 2HD2 LEU 49 0.647 4.226 -1.993 382 H SER 50 H SER 50 5.367 3.755 -5.072 383 HA SER 50 HA SER 50 7.043 5.006 -3.235 384 HB2 SER 50 2HB SER 50 8.897 3.769 -4.293 385 HB3 SER 50 3HB SER 50 7.473 2.745 -4.108 386 HG SER 50 HG SER 50 8.670 2.807 -6.233 387 H SER 51 H SER 51 7.104 5.359 -6.798 388 HA SER 51 HA SER 51 9.003 7.462 -6.845 389 HB2 SER 51 2HB SER 51 8.490 6.186 -8.867 390 HB3 SER 51 3HB SER 51 6.839 6.806 -8.868 391 HG SER 51 HG SER 51 7.564 8.791 -9.438 392 H ALA 52 H ALA 52 5.446 7.542 -6.920 393 HA ALA 52 HA ALA 52 5.073 10.273 -7.271 394 HB1 ALA 52 3HB ALA 52 2.829 9.942 -6.414 395 HB2 ALA 52 1HB ALA 52 3.308 8.407 -5.687 396 HB3 ALA 52 2HB ALA 52 3.289 8.583 -7.444 397 H LEU 53 H LEU 53 5.685 8.502 -4.272 398 HA LEU 53 HA LEU 53 5.163 10.720 -2.545 399 HB2 LEU 53 2HB LEU 53 6.639 8.127 -2.090 400 HB3 LEU 53 3HB LEU 53 6.304 9.290 -0.820 401 HG LEU 53 HG LEU 53 4.181 7.878 -2.453 402 HD11 LEU 53 1HD1 LEU 53 5.147 7.310 0.348 403 HD12 LEU 53 2HD1 LEU 53 5.366 6.278 -1.067 404 HD13 LEU 53 3HD1 LEU 53 3.747 6.568 -0.431 405 HD21 LEU 53 3HD2 LEU 53 2.645 8.741 -0.740 406 HD22 LEU 53 1HD2 LEU 53 3.447 10.039 -1.624 407 HD23 LEU 53 2HD2 LEU 53 3.980 9.623 0.006 408 H THR 54 H THR 54 7.934 9.798 -4.413 409 HA THR 54 HA THR 54 9.754 11.440 -2.809 410 HB THR 54 HB THR 54 11.536 10.738 -4.276 411 HG1 THR 54 HG1 THR 54 9.505 9.492 -5.858 412 HG21 THR 54 3HG2 THR 54 11.463 8.312 -3.972 413 HG22 THR 54 1HG2 THR 54 9.726 8.390 -3.678 414 HG23 THR 54 2HG2 THR 54 10.849 9.141 -2.541 415 H GLU 55 H GLU 55 8.050 11.565 -5.877 416 HA GLU 55 HA GLU 55 9.263 14.146 -6.569 417 HB2 GLU 55 2HB GLU 55 8.090 13.905 -8.704 418 HB3 GLU 55 3HB GLU 55 9.001 12.443 -8.347 419 HG2 GLU 55 2HG GLU 55 6.958 11.328 -7.616 420 HG3 GLU 55 3HG GLU 55 6.036 12.797 -7.926 421 HA PRO 56 HA PRO 56 5.627 16.446 -5.267 422 HB2 PRO 56 2HB PRO 56 5.299 18.330 -7.190 423 HB3 PRO 56 3HB PRO 56 6.630 18.381 -6.028 424 HG2 PRO 56 2HG PRO 56 6.632 17.413 -8.868 425 HG3 PRO 56 3HG PRO 56 7.831 18.414 -8.028 426 HD2 PRO 56 2HD PRO 56 8.152 15.740 -8.428 427 HD3 PRO 56 3HD PRO 56 8.835 16.593 -7.029 428 H VAL 57 H VAL 57 3.628 15.604 -5.290 429 HA VAL 57 HA VAL 57 2.133 15.466 -7.813 430 HB VAL 57 HB VAL 57 1.132 13.266 -7.118 431 HG11 VAL 57 1HG1 VAL 57 2.838 13.362 -8.868 432 HG12 VAL 57 2HG1 VAL 57 2.986 11.883 -7.919 433 HG13 VAL 57 3HG1 VAL 57 4.108 13.218 -7.650 434 HG21 VAL 57 3HG2 VAL 57 3.435 13.216 -5.161 435 HG22 VAL 57 1HG2 VAL 57 2.344 11.874 -5.509 436 HG23 VAL 57 2HG2 VAL 57 1.724 13.339 -4.750 437 HA PRO 58 HA PRO 58 -1.122 17.166 -5.286 438 HB2 PRO 58 2HB PRO 58 -3.348 16.275 -6.576 439 HB3 PRO 58 3HB PRO 58 -2.313 17.559 -7.212 440 HG2 PRO 58 2HG PRO 58 -2.380 14.650 -7.929 441 HG3 PRO 58 3HG PRO 58 -2.245 16.061 -8.995 442 HD2 PRO 58 2HD PRO 58 -0.104 14.553 -8.282 443 HD3 PRO 58 3HD PRO 58 0.021 16.293 -8.611 444 H ASN 59 H ASN 59 -2.228 16.619 -3.466 445 HA ASN 59 HA ASN 59 -1.985 14.148 -2.247 446 HB2 ASN 59 2HB ASN 59 -2.501 16.124 -0.966 447 HB3 ASN 59 3HB ASN 59 -4.047 16.314 -1.788 448 HD21 ASN 59 1HD2 ASN 59 -2.260 14.392 0.525 449 HD22 ASN 59 2HD2 ASN 59 -3.642 13.672 1.267 450 H SER 60 H SER 60 -4.662 15.319 -4.235 451 HA SER 60 HA SER 60 -6.505 13.255 -3.896 452 HB2 SER 60 2HB SER 60 -7.382 13.897 -6.119 453 HB3 SER 60 3HB SER 60 -7.021 15.316 -5.134 454 HG SER 60 HG SER 60 -5.686 15.929 -6.630 455 H GLN 61 H GLN 61 -3.814 13.477 -6.212 456 HA GLN 61 HA GLN 61 -4.239 11.071 -7.576 457 HB2 GLN 61 2HB GLN 61 -2.683 12.861 -8.299 458 HB3 GLN 61 3HB GLN 61 -1.597 12.441 -6.985 459 HG2 GLN 61 2HG GLN 61 -2.366 10.433 -9.083 460 HG3 GLN 61 3HG GLN 61 -1.068 11.592 -9.353 461 HE21 GLN 61 1HE2 GLN 61 -0.913 8.705 -9.228 462 HE22 GLN 61 2HE2 GLN 61 0.179 8.328 -7.945 463 H LEU 62 H LEU 62 -2.187 11.713 -4.732 464 HA LEU 62 HA LEU 62 -1.228 9.128 -4.313 465 HB2 LEU 62 2HB LEU 62 -1.838 11.310 -2.318 466 HB3 LEU 62 3HB LEU 62 -0.960 9.845 -1.918 467 HG LEU 62 HG LEU 62 -0.057 11.906 -3.941 468 HD11 LEU 62 1HD1 LEU 62 0.926 11.383 -1.136 469 HD12 LEU 62 2HD1 LEU 62 0.012 12.792 -1.673 470 HD13 LEU 62 3HD1 LEU 62 1.638 12.511 -2.292 471 HD21 LEU 62 3HD2 LEU 62 0.748 9.679 -4.490 472 HD22 LEU 62 1HD2 LEU 62 1.330 9.456 -2.839 473 HD23 LEU 62 2HD2 LEU 62 2.073 10.669 -3.881 474 H VAL 63 H VAL 63 -4.060 10.655 -2.747 475 HA VAL 63 HA VAL 63 -4.820 8.376 -1.268 476 HB VAL 63 HB VAL 63 -6.578 10.668 -2.183 477 HG11 VAL 63 1HG1 VAL 63 -7.895 8.764 -1.406 478 HG12 VAL 63 2HG1 VAL 63 -7.986 10.097 -0.255 479 HG13 VAL 63 3HG1 VAL 63 -6.957 8.707 0.089 480 HG21 VAL 63 3HG2 VAL 63 -6.076 11.686 -0.015 481 HG22 VAL 63 1HG2 VAL 63 -4.601 11.438 -0.949 482 HG23 VAL 63 2HG2 VAL 63 -4.999 10.344 0.377 483 H ASP 64 H ASP 64 -5.961 9.563 -4.437 484 HA ASP 64 HA ASP 64 -7.965 7.595 -4.781 485 HB2 ASP 64 2HB ASP 64 -7.914 9.718 -6.048 486 HB3 ASP 64 3HB ASP 64 -6.487 9.156 -6.918 487 H THR 65 H THR 65 -4.627 7.769 -6.053 488 HA THR 65 HA THR 65 -4.608 5.254 -7.325 489 HB THR 65 HB THR 65 -2.234 6.630 -6.027 490 HG1 THR 65 HG1 THR 65 -2.681 8.088 -7.506 491 HG21 THR 65 3HG2 THR 65 -1.769 4.306 -6.649 492 HG22 THR 65 1HG2 THR 65 -0.912 5.419 -7.716 493 HG23 THR 65 2HG2 THR 65 -2.376 4.610 -8.277 494 H GLY 66 H GLY 66 -4.021 6.188 -3.971 495 HA2 GLY 66 2HA GLY 66 -3.124 3.689 -3.007 496 HA3 GLY 66 3HA GLY 66 -3.888 4.944 -2.045 497 H HIS 67 H HIS 67 -6.367 4.904 -3.655 498 HA HIS 67 HA HIS 67 -7.892 3.090 -2.189 499 HB2 HIS 67 2HB HIS 67 -8.504 4.316 -4.888 500 HB3 HIS 67 3HB HIS 67 -9.676 3.440 -3.913 501 HD1 HIS 67 HD1 HIS 67 -9.841 6.485 -4.787 502 HD2 HIS 67 HD2 HIS 67 -8.732 5.052 -1.046 503 HE1 HIS 67 HE1 HIS 67 -10.334 8.346 -3.180 504 HE2 HIS 67 HE2 HIS 67 -9.858 7.380 -0.910 505 H GLN 68 H GLN 68 -6.807 2.756 -5.593 506 HA GLN 68 HA GLN 68 -7.888 0.184 -5.951 507 HB2 GLN 68 2HB GLN 68 -6.508 -0.003 -7.934 508 HB3 GLN 68 3HB GLN 68 -7.203 1.607 -7.837 509 HG2 GLN 68 2HG GLN 68 -5.107 2.540 -7.142 510 HG3 GLN 68 3HG GLN 68 -4.387 0.937 -6.996 511 HE21 GLN 68 1HE2 GLN 68 -3.562 3.217 -8.625 512 HE22 GLN 68 2HE2 GLN 68 -3.536 2.651 -10.254 513 H LEU 69 H LEU 69 -4.723 1.218 -4.729 514 HA LEU 69 HA LEU 69 -3.481 -1.277 -4.559 515 HB2 LEU 69 2HB LEU 69 -3.182 1.323 -3.166 516 HB3 LEU 69 3HB LEU 69 -2.532 -0.064 -2.316 517 HG LEU 69 HG LEU 69 -0.814 1.075 -3.645 518 HD11 LEU 69 1HD1 LEU 69 -0.601 -1.321 -3.239 519 HD12 LEU 69 2HD1 LEU 69 0.070 -0.880 -4.809 520 HD13 LEU 69 3HD1 LEU 69 -1.508 -1.664 -4.713 521 HD21 LEU 69 3HD2 LEU 69 -0.871 1.013 -6.085 522 HD22 LEU 69 1HD2 LEU 69 -2.220 1.948 -5.441 523 HD23 LEU 69 2HD2 LEU 69 -2.489 0.310 -6.041 524 H LEU 70 H LEU 70 -5.810 0.232 -2.348 525 HA LEU 70 HA LEU 70 -5.768 -1.759 -0.353 526 HB2 LEU 70 2HB LEU 70 -7.635 0.402 -1.161 527 HB3 LEU 70 3HB LEU 70 -8.334 -0.899 -0.219 528 HG LEU 70 HG LEU 70 -7.628 1.013 1.180 529 HD11 LEU 70 1HD1 LEU 70 -6.057 -1.527 1.637 530 HD12 LEU 70 2HD1 LEU 70 -7.712 -1.212 2.158 531 HD13 LEU 70 3HD1 LEU 70 -6.383 -0.286 2.847 532 HD21 LEU 70 3HD2 LEU 70 -4.839 0.289 0.271 533 HD22 LEU 70 1HD2 LEU 70 -5.249 1.454 1.531 534 HD23 LEU 70 2HD2 LEU 70 -5.715 1.765 -0.141 535 H ASP 71 H ASP 71 -7.744 -1.486 -3.310 536 HA ASP 71 HA ASP 71 -9.310 -3.803 -2.872 537 HB2 ASP 71 2HB ASP 71 -9.750 -1.963 -4.570 538 HB3 ASP 71 3HB ASP 71 -8.505 -2.697 -5.576 539 H TYR 72 H TYR 72 -6.385 -3.330 -4.854 540 HA TYR 72 HA TYR 72 -6.029 -5.966 -5.698 541 HB2 TYR 72 2HB TYR 72 -4.051 -3.728 -5.240 542 HB3 TYR 72 3HB TYR 72 -3.567 -5.284 -5.900 543 HD1 TYR 72 HD1 TYR 72 -6.628 -3.250 -6.619 544 HD2 TYR 72 HD2 TYR 72 -2.972 -4.840 -8.120 545 HE1 TYR 72 HE1 TYR 72 -7.215 -2.462 -8.867 546 HE2 TYR 72 HE2 TYR 72 -3.555 -4.052 -10.375 547 HH TYR 72 HH TYR 72 -6.098 -1.862 -10.957 548 H CYS 73 H CYS 73 -4.676 -4.343 -2.821 549 HA CYS 73 HA CYS 73 -3.188 -6.563 -1.903 550 HB2 CYS 73 2HB CYS 73 -4.246 -4.153 -0.416 551 HB3 CYS 73 3HB CYS 73 -3.147 -5.337 0.286 552 HG CYS 73 HG CYS 73 -2.510 -2.834 -1.846 553 H SER 74 H SER 74 -6.397 -5.361 -0.882 554 HA SER 74 HA SER 74 -6.855 -7.282 1.120 555 HB2 SER 74 2HB SER 74 -9.229 -6.668 0.952 556 HB3 SER 74 3HB SER 74 -8.207 -5.232 0.903 557 HG SER 74 HG SER 74 -8.707 -4.914 -1.158 558 H GLY 75 H GLY 75 -7.420 -7.404 -2.353 559 HA2 GLY 75 2HA GLY 75 -8.808 -9.930 -2.265 560 HA3 GLY 75 3HA GLY 75 -8.211 -9.114 -3.701 561 H TYR 76 H TYR 76 -5.503 -8.924 -3.113 562 HA TYR 76 HA TYR 76 -4.603 -11.464 -3.957 563 HB2 TYR 76 2HB TYR 76 -3.483 -9.357 -4.562 564 HB3 TYR 76 3HB TYR 76 -2.996 -9.129 -2.887 565 HD1 TYR 76 HD2 TYR 76 -2.626 -11.484 -5.760 566 HD2 TYR 76 HD1 TYR 76 -0.935 -9.994 -2.142 567 HE1 TYR 76 HE2 TYR 76 -0.568 -12.753 -6.204 568 HE2 TYR 76 HE1 TYR 76 1.126 -11.259 -2.582 569 HH TYR 76 HH TYR 76 1.876 -13.189 -3.848 570 H VAL 77 H VAL 77 -4.557 -9.892 -0.771 571 HA VAL 77 HA VAL 77 -2.734 -11.598 0.490 572 HB VAL 77 HB VAL 77 -3.539 -9.459 1.476 573 HG11 VAL 77 1HG1 VAL 77 -5.604 -9.410 2.786 574 HG12 VAL 77 2HG1 VAL 77 -6.011 -11.031 2.210 575 HG13 VAL 77 3HG1 VAL 77 -5.931 -9.687 1.070 576 HG21 VAL 77 3HG2 VAL 77 -2.304 -11.118 2.812 577 HG22 VAL 77 1HG2 VAL 77 -3.833 -11.847 3.305 578 HG23 VAL 77 2HG2 VAL 77 -3.442 -10.198 3.790 579 H ASP 78 H ASP 78 -6.150 -12.091 -0.187 580 HA ASP 78 HA ASP 78 -6.541 -14.331 1.515 581 HB2 ASP 78 2HB ASP 78 -8.430 -13.085 0.599 582 HB3 ASP 78 3HB ASP 78 -7.969 -13.538 -1.041 583 H CYS 79 H CYS 79 -5.420 -14.002 -1.820 584 HA CYS 79 HA CYS 79 -5.412 -16.835 -2.351 585 HB2 CYS 79 2HB CYS 79 -4.231 -14.529 -3.916 586 HB3 CYS 79 3HB CYS 79 -4.342 -16.188 -4.495 587 HG CYS 79 HG CYS 79 -6.365 -14.065 -5.335 588 H ILE 80 H ILE 80 -3.434 -15.110 -0.417 589 HA ILE 80 HA ILE 80 -0.872 -16.148 -1.193 590 HB ILE 80 HB ILE 80 -1.863 -14.768 1.297 591 HG12 ILE 80 2HG1 ILE 80 0.054 -13.945 -0.905 592 HG13 ILE 80 3HG1 ILE 80 -1.593 -13.362 -0.687 593 HG21 ILE 80 1HG2 ILE 80 0.483 -14.669 2.067 594 HG22 ILE 80 2HG2 ILE 80 0.926 -15.792 0.780 595 HG23 ILE 80 3HG2 ILE 80 -0.179 -16.303 2.060 596 HD11 ILE 80 3HD1 ILE 80 -0.032 -11.704 0.075 597 HD12 ILE 80 1HD1 ILE 80 0.742 -12.870 1.147 598 HD13 ILE 80 2HD1 ILE 80 -0.914 -12.351 1.457 599 HA PRO 81 HA PRO 81 -1.692 -20.237 0.547 600 HB2 PRO 81 2HB PRO 81 1.107 -20.791 -0.197 601 HB3 PRO 81 3HB PRO 81 -0.377 -21.560 -0.762 602 HG2 PRO 81 2HG PRO 81 1.063 -19.943 -2.355 603 HG3 PRO 81 3HG PRO 81 -0.710 -19.999 -2.439 604 HD2 PRO 81 2HD PRO 81 1.060 -17.980 -1.086 605 HD3 PRO 81 3HD PRO 81 -0.386 -17.718 -2.086 606 H GLN 82 H GLN 82 1.240 -18.365 1.293 607 HA GLN 82 HA GLN 82 1.751 -19.912 3.714 608 HB2 GLN 82 2HB GLN 82 3.194 -17.638 2.351 609 HB3 GLN 82 3HB GLN 82 3.637 -18.162 3.967 610 HG2 GLN 82 2HG GLN 82 5.069 -19.114 2.211 611 HG3 GLN 82 3HG GLN 82 4.238 -20.343 3.159 612 HE21 GLN 82 1HE2 GLN 82 2.727 -21.646 2.167 613 HE22 GLN 82 2HE2 GLN 82 2.518 -21.699 0.454 614 H THR 83 H THR 83 0.677 -19.455 5.547 615 HA THR 83 HA THR 83 -0.895 -17.178 5.996 616 HB THR 83 HB THR 83 0.320 -18.957 8.133 617 HG1 THR 83 HG1 THR 83 -1.010 -20.420 7.395 618 HG21 THR 83 3HG2 THR 83 -1.668 -18.288 9.443 619 HG22 THR 83 1HG2 THR 83 -2.127 -17.173 8.153 620 HG23 THR 83 2HG2 THR 83 -0.635 -16.911 9.059 621 H ARG 84 H ARG 84 2.489 -17.806 6.774 622 HA ARG 84 HA ARG 84 3.036 -15.652 8.458 623 HB2 ARG 84 2HB ARG 84 4.788 -16.911 6.335 624 HB3 ARG 84 3HB ARG 84 5.372 -15.780 7.548 625 HG2 ARG 84 2HG ARG 84 4.078 -18.434 8.168 626 HG3 ARG 84 3HG ARG 84 5.820 -18.150 8.103 627 HD2 ARG 84 2HD ARG 84 5.704 -16.615 9.945 628 HD3 ARG 84 3HD ARG 84 3.939 -16.646 9.927 629 HE ARG 84 HE ARG 84 4.249 -19.109 10.490 630 HH11 ARG 84 1HH1 ARG 84 6.491 -16.679 11.479 631 HH12 ARG 84 2HH1 ARG 84 6.944 -17.542 12.912 632 HH21 ARG 84 1HH2 ARG 84 4.843 -20.188 12.335 633 HH22 ARG 84 2HH2 ARG 84 6.010 -19.478 13.396 634 H ASN 85 H ASN 85 3.497 -15.712 4.909 635 HA ASN 85 HA ASN 85 3.920 -12.947 4.606 636 HB2 ASN 85 2HB ASN 85 2.751 -14.878 2.581 637 HB3 ASN 85 3HB ASN 85 3.443 -13.299 2.222 638 HD21 ASN 85 1HD2 ASN 85 5.071 -14.014 0.931 639 HD22 ASN 85 2HD2 ASN 85 6.388 -14.978 1.491 640 H LYS 86 H LYS 86 0.956 -14.876 4.539 641 HA LYS 86 HA LYS 86 -0.822 -12.954 3.582 642 HB2 LYS 86 2HB LYS 86 -1.423 -15.299 3.805 643 HB3 LYS 86 3HB LYS 86 -1.288 -15.200 5.550 644 HG2 LYS 86 2HG LYS 86 -3.230 -13.853 5.727 645 HG3 LYS 86 3HG LYS 86 -3.282 -13.576 3.984 646 HD2 LYS 86 2HD LYS 86 -3.572 -16.310 5.233 647 HD3 LYS 86 3HD LYS 86 -4.948 -15.260 4.873 648 HE2 LYS 86 2HE LYS 86 -4.181 -15.208 2.497 649 HE3 LYS 86 3HE LYS 86 -2.950 -16.395 2.918 650 HZ1 LYS 86 3HZ LYS 86 -4.682 -17.944 3.520 651 HZ2 LYS 86 1HZ LYS 86 -4.918 -17.407 1.933 652 HZ3 LYS 86 2HZ LYS 86 -5.879 -16.798 3.183 653 H PHE 87 H PHE 87 -0.096 -13.718 7.003 654 HA PHE 87 HA PHE 87 -1.718 -11.663 8.080 655 HB2 PHE 87 2HB PHE 87 -0.894 -13.692 9.317 656 HB3 PHE 87 3HB PHE 87 0.700 -12.949 9.377 657 HD1 PHE 87 HD2 PHE 87 -2.725 -12.845 10.667 658 HD2 PHE 87 HD1 PHE 87 1.139 -11.055 10.844 659 HE1 PHE 87 HE2 PHE 87 -3.359 -11.677 12.738 660 HE2 PHE 87 HE1 PHE 87 0.507 -9.891 12.916 661 HZ PHE 87 HZ PHE 87 -1.745 -10.202 13.867 662 H ALA 88 H ALA 88 1.791 -11.820 7.470 663 HA ALA 88 HA ALA 88 2.460 -9.268 8.442 664 HB1 ALA 88 3HB ALA 88 3.831 -10.835 6.254 665 HB2 ALA 88 1HB ALA 88 4.103 -11.040 7.984 666 HB3 ALA 88 2HB ALA 88 4.536 -9.521 7.200 667 H PHE 89 H PHE 89 1.277 -10.315 5.310 668 HA PHE 89 HA PHE 89 1.732 -7.897 3.899 669 HB2 PHE 89 2HB PHE 89 1.361 -10.090 2.806 670 HB3 PHE 89 3HB PHE 89 -0.306 -10.077 3.365 671 HD1 PHE 89 HD1 PHE 89 -1.944 -8.558 2.360 672 HD2 PHE 89 HD2 PHE 89 2.070 -8.737 0.946 673 HE1 PHE 89 HE1 PHE 89 -2.621 -7.411 0.300 674 HE2 PHE 89 HE2 PHE 89 1.391 -7.583 -1.118 675 HZ PHE 89 HZ PHE 89 -0.956 -6.921 -1.444 676 H ARG 90 H ARG 90 -1.261 -9.259 5.335 677 HA ARG 90 HA ARG 90 -2.880 -7.036 4.744 678 HB2 ARG 90 2HB ARG 90 -3.198 -9.514 6.165 679 HB3 ARG 90 3HB ARG 90 -3.890 -8.221 7.127 680 HG2 ARG 90 2HG ARG 90 -4.668 -9.102 4.357 681 HG3 ARG 90 3HG ARG 90 -5.652 -9.071 5.816 682 HD2 ARG 90 2HD ARG 90 -4.750 -6.761 4.107 683 HD3 ARG 90 3HD ARG 90 -6.396 -7.254 4.506 684 HE ARG 90 HE ARG 90 -4.974 -6.565 6.841 685 HH11 ARG 90 1HH1 ARG 90 -6.679 -5.169 4.187 686 HH12 ARG 90 2HH1 ARG 90 -6.811 -3.623 4.960 687 HH21 ARG 90 1HH2 ARG 90 -5.169 -4.553 7.802 688 HH22 ARG 90 2HH2 ARG 90 -6.000 -3.292 6.951 689 H GLU 91 H GLU 91 -0.866 -7.711 7.618 690 HA GLU 91 HA GLU 91 -1.834 -5.502 9.120 691 HB2 GLU 91 2HB GLU 91 -0.056 -5.844 10.638 692 HB3 GLU 91 3HB GLU 91 -0.493 -7.442 10.054 693 HG2 GLU 91 2HG GLU 91 1.428 -7.526 8.635 694 HG3 GLU 91 3HG GLU 91 1.813 -5.839 8.970 695 H ALA 92 H ALA 92 0.784 -5.836 6.761 696 HA ALA 92 HA ALA 92 1.850 -3.235 6.948 697 HB1 ALA 92 3HB ALA 92 2.691 -3.615 4.674 698 HB2 ALA 92 1HB ALA 92 1.629 -5.015 4.514 699 HB3 ALA 92 2HB ALA 92 2.941 -5.032 5.694 700 H VAL 93 H VAL 93 -0.818 -4.531 4.988 701 HA VAL 93 HA VAL 93 -1.561 -2.148 3.691 702 HB VAL 93 HB VAL 93 -3.335 -4.459 4.523 703 HG11 VAL 93 1HG1 VAL 93 -4.659 -2.484 3.966 704 HG12 VAL 93 2HG1 VAL 93 -4.822 -3.711 2.710 705 HG13 VAL 93 3HG1 VAL 93 -3.785 -2.310 2.441 706 HG21 VAL 93 3HG2 VAL 93 -1.889 -3.954 1.918 707 HG22 VAL 93 1HG2 VAL 93 -2.964 -5.309 2.264 708 HG23 VAL 93 2HG2 VAL 93 -1.436 -5.153 3.131 709 H SER 94 H SER 94 -2.390 -3.425 6.886 710 HA SER 94 HA SER 94 -4.402 -1.657 7.633 711 HB2 SER 94 2HB SER 94 -2.222 -2.836 9.385 712 HB3 SER 94 3HB SER 94 -3.689 -2.064 9.983 713 HG SER 94 HG SER 94 -3.441 -4.565 9.483 714 H LYS 95 H LYS 95 -0.868 -1.165 7.724 715 HA LYS 95 HA LYS 95 -0.918 1.445 8.831 716 HB2 LYS 95 2HB LYS 95 1.054 0.107 6.970 717 HB3 LYS 95 3HB LYS 95 1.273 1.751 7.537 718 HG2 LYS 95 2HG LYS 95 2.620 0.362 8.890 719 HG3 LYS 95 3HG LYS 95 1.245 0.860 9.879 720 HD2 LYS 95 2HD LYS 95 0.228 -1.263 9.715 721 HD3 LYS 95 3HD LYS 95 1.270 -1.750 8.377 722 HE2 LYS 95 2HE LYS 95 1.883 -2.826 10.519 723 HE3 LYS 95 3HE LYS 95 3.184 -1.850 9.841 724 HZ1 LYS 95 3HZ LYS 95 1.333 -0.913 11.962 725 HZ2 LYS 95 1HZ LYS 95 2.708 -0.113 11.386 726 HZ3 LYS 95 2HZ LYS 95 2.870 -1.556 12.255 727 H LEU 96 H LEU 96 -0.973 0.292 5.470 728 HA LEU 96 HA LEU 96 -0.886 2.737 4.149 729 HB2 LEU 96 2HB LEU 96 -0.642 0.515 3.089 730 HB3 LEU 96 3HB LEU 96 -2.362 0.240 3.297 731 HG LEU 96 HG LEU 96 -2.824 2.163 1.791 732 HD11 LEU 96 1HD1 LEU 96 -0.791 3.449 2.139 733 HD12 LEU 96 2HD1 LEU 96 -0.997 3.081 0.427 734 HD13 LEU 96 3HD1 LEU 96 0.171 2.173 1.391 735 HD21 LEU 96 3HD2 LEU 96 -1.051 0.017 0.614 736 HD22 LEU 96 1HD2 LEU 96 -2.177 1.036 -0.284 737 HD23 LEU 96 2HD2 LEU 96 -2.786 -0.113 0.906 738 H GLU 97 H GLU 97 -3.826 0.901 5.092 739 HA GLU 97 HA GLU 97 -5.641 2.826 4.085 740 HB2 GLU 97 2HB GLU 97 -7.342 1.617 5.482 741 HB3 GLU 97 3HB GLU 97 -6.417 0.595 4.395 742 HG2 GLU 97 2HG GLU 97 -4.989 -0.082 6.296 743 HG3 GLU 97 3HG GLU 97 -6.005 0.881 7.367 744 H LEU 98 H LEU 98 -4.447 2.288 7.419 745 HA LEU 98 HA LEU 98 -5.899 4.406 8.593 746 HB2 LEU 98 2HB LEU 98 -3.284 3.143 9.423 747 HB3 LEU 98 3HB LEU 98 -4.183 4.278 10.412 748 HG LEU 98 HG LEU 98 -5.148 1.541 9.543 749 HD11 LEU 98 1HD1 LEU 98 -4.293 2.566 12.253 750 HD12 LEU 98 2HD1 LEU 98 -3.396 1.437 11.237 751 HD13 LEU 98 3HD1 LEU 98 -4.956 0.967 11.911 752 HD21 LEU 98 3HD2 LEU 98 -6.994 3.147 9.722 753 HD22 LEU 98 1HD2 LEU 98 -6.467 3.576 11.349 754 HD23 LEU 98 2HD2 LEU 98 -7.055 1.947 11.011 755 H SER 99 H SER 99 -2.849 4.338 6.875 756 HA SER 99 HA SER 99 -2.021 6.981 7.603 757 HB2 SER 99 2HB SER 99 -0.450 5.192 6.819 758 HB3 SER 99 3HB SER 99 -1.133 5.358 5.202 759 HG SER 99 HG SER 99 -0.294 7.388 5.055 760 H LEU 100 H LEU 100 -3.838 5.608 4.900 761 HA LEU 100 HA LEU 100 -3.954 7.998 3.365 762 HB2 LEU 100 2HB LEU 100 -5.685 5.529 3.373 763 HB3 LEU 100 3HB LEU 100 -5.918 6.854 2.245 764 HG LEU 100 HG LEU 100 -3.382 5.214 2.472 765 HD11 LEU 100 1HD1 LEU 100 -5.197 3.853 1.608 766 HD12 LEU 100 2HD1 LEU 100 -4.053 4.237 0.323 767 HD13 LEU 100 3HD1 LEU 100 -5.593 5.094 0.420 768 HD21 LEU 100 3HD2 LEU 100 -2.970 7.491 1.680 769 HD22 LEU 100 1HD2 LEU 100 -4.216 7.300 0.447 770 HD23 LEU 100 2HD2 LEU 100 -2.748 6.323 0.377 771 H GLN 101 H GLN 101 -6.105 6.661 5.871 772 HA GLN 101 HA GLN 101 -8.156 8.595 5.519 773 HB2 GLN 101 2HB GLN 101 -9.093 7.834 7.594 774 HB3 GLN 101 3HB GLN 101 -8.473 6.431 6.736 775 HG2 GLN 101 2HG GLN 101 -6.533 6.353 8.167 776 HG3 GLN 101 3HG GLN 101 -7.022 7.846 8.967 777 HE21 GLN 101 1HE2 GLN 101 -7.099 6.894 10.992 778 HE22 GLN 101 2HE2 GLN 101 -8.335 5.775 11.445 779 H GLU 102 H GLU 102 -5.244 8.562 7.581 780 HA GLU 102 HA GLU 102 -5.920 11.071 8.826 781 HB2 GLU 102 2HB GLU 102 -3.753 10.986 9.877 782 HB3 GLU 102 3HB GLU 102 -4.473 9.386 9.940 783 HG2 GLU 102 2HG GLU 102 -3.069 8.677 8.067 784 HG3 GLU 102 3HG GLU 102 -2.345 10.282 7.997 785 H LEU 103 H LEU 103 -3.929 10.105 6.064 786 HA LEU 103 HA LEU 103 -2.561 12.497 5.624 787 HB2 LEU 103 2HB LEU 103 -2.025 10.429 4.446 788 HB3 LEU 103 3HB LEU 103 -3.555 10.493 3.592 789 HG LEU 103 HG LEU 103 -2.810 12.615 2.499 790 HD11 LEU 103 1HD1 LEU 103 -0.161 11.986 3.803 791 HD12 LEU 103 2HD1 LEU 103 -1.203 13.362 4.168 792 HD13 LEU 103 3HD1 LEU 103 -0.443 13.228 2.582 793 HD21 LEU 103 3HD2 LEU 103 -1.284 11.563 0.924 794 HD22 LEU 103 1HD2 LEU 103 -2.572 10.445 1.371 795 HD23 LEU 103 2HD2 LEU 103 -0.962 10.263 2.072 796 H GLN 104 H GLN 104 -5.715 11.479 4.298 797 HA GLN 104 HA GLN 104 -6.055 13.699 2.600 798 HB2 GLN 104 2HB GLN 104 -8.426 12.997 2.478 799 HB3 GLN 104 3HB GLN 104 -7.299 11.667 2.245 800 HG2 GLN 104 2HG GLN 104 -7.646 11.042 4.630 801 HG3 GLN 104 3HG GLN 104 -8.897 12.281 4.726 802 HE21 GLN 104 1HE2 GLN 104 -8.015 9.193 3.410 803 HE22 GLN 104 2HE2 GLN 104 -9.600 8.730 2.903 804 H VAL 105 H VAL 105 -6.451 13.504 6.022 805 HA VAL 105 HA VAL 105 -7.949 16.052 6.035 806 HB VAL 105 HB VAL 105 -8.525 15.594 8.373 807 HG11 VAL 105 1HG1 VAL 105 -10.060 13.729 8.000 808 HG12 VAL 105 2HG1 VAL 105 -9.165 13.269 6.552 809 HG13 VAL 105 3HG1 VAL 105 -10.021 14.810 6.607 810 HG21 VAL 105 3HG2 VAL 105 -7.031 12.988 7.992 811 HG22 VAL 105 1HG2 VAL 105 -8.022 13.404 9.392 812 HG23 VAL 105 2HG2 VAL 105 -6.555 14.318 9.046 813 H SER 106 H SER 106 -4.840 14.778 6.552 814 HA SER 106 HA SER 106 -4.070 17.011 8.336 815 HB2 SER 106 2HB SER 106 -3.621 14.787 9.266 816 HB3 SER 106 3HB SER 106 -2.659 14.371 7.850 817 HG SER 106 HG SER 106 -1.778 15.430 10.038 818 H SER 107 H SER 107 -3.746 15.918 5.130 819 HA SER 107 HA SER 107 -1.092 16.664 4.525 820 HB2 SER 107 2HB SER 107 -1.816 16.634 2.160 821 HB3 SER 107 3HB SER 107 -2.393 15.219 3.039 822 HG SER 107 HG SER 107 -4.156 15.920 1.985 823 H ALA 108 H ALA 108 -4.020 18.392 3.443 824 HA ALA 108 HA ALA 108 -4.570 20.592 3.314 825 HB1 ALA 108 3HB ALA 108 -3.440 22.252 4.644 826 HB2 ALA 108 1HB ALA 108 -2.063 21.175 4.883 827 HB3 ALA 108 2HB ALA 108 -3.629 20.774 5.587 828 H ALA 109 H ALA 109 -1.145 19.938 2.613 829 HA ALA 109 HA ALA 109 -0.816 22.098 0.791 830 HB1 ALA 109 3HB ALA 109 0.766 19.536 1.019 831 HB2 ALA 109 1HB ALA 109 1.076 21.024 1.914 832 HB3 ALA 109 2HB ALA 109 1.265 20.996 0.161 833 H ALA 110 H ALA 110 -0.575 21.992 -1.508 834 HA ALA 110 HA ALA 110 -2.520 20.347 -2.829 835 HB1 ALA 110 3HB ALA 110 -0.467 22.213 -4.017 836 HB2 ALA 110 1HB ALA 110 -2.100 22.661 -3.521 837 HB3 ALA 110 2HB ALA 110 -1.861 21.529 -4.854 838 H GLY 111 H GLY 111 0.993 20.729 -3.394 839 HA2 GLY 111 2HA GLY 111 1.342 17.876 -3.756 840 HA3 GLY 111 3HA GLY 111 1.450 18.800 -5.245 841 H VAL 112 H VAL 112 2.668 19.158 -1.910 842 HA VAL 112 HA VAL 112 5.280 19.991 -2.982 843 HB VAL 112 HB VAL 112 4.233 20.222 -0.147 844 HG11 VAL 112 1HG1 VAL 112 6.660 20.168 -0.218 845 HG12 VAL 112 2HG1 VAL 112 6.108 21.798 0.171 846 HG13 VAL 112 3HG1 VAL 112 6.677 21.425 -1.456 847 HG21 VAL 112 3HG2 VAL 112 2.904 21.599 -1.662 848 HG22 VAL 112 1HG2 VAL 112 4.374 22.325 -2.316 849 HG23 VAL 112 2HG2 VAL 112 3.918 22.613 -0.636 850 HA PRO 113 HA PRO 113 6.775 15.867 -1.977 851 HB2 PRO 113 2HB PRO 113 9.458 16.413 -2.265 852 HB3 PRO 113 3HB PRO 113 8.367 16.083 -3.615 853 HG2 PRO 113 2HG PRO 113 9.316 18.716 -2.545 854 HG3 PRO 113 3HG PRO 113 9.148 18.189 -4.231 855 HD2 PRO 113 2HD PRO 113 7.318 19.778 -3.062 856 HD3 PRO 113 3HD PRO 113 6.849 18.533 -4.240 857 H GLY 114 H GLY 114 6.885 15.089 0.049 858 HA2 GLY 114 2HA GLY 114 7.608 14.763 2.214 859 HA3 GLY 114 3HA GLY 114 8.872 15.943 1.924 860 H THR 115 H THR 115 5.627 16.976 1.333 861 HA THR 115 HA THR 115 5.724 19.112 3.132 862 HB THR 115 HB THR 115 4.190 19.221 1.298 863 HG1 THR 115 HG1 THR 115 3.498 19.800 3.762 864 HG21 THR 115 3HG2 THR 115 3.648 16.849 1.058 865 HG22 THR 115 1HG2 THR 115 2.174 17.813 1.158 866 HG23 THR 115 2HG2 THR 115 2.724 16.896 2.560 867 H ASN 116 H ASN 116 4.444 15.858 3.615 868 HA ASN 116 HA ASN 116 4.028 16.494 6.457 869 HB2 ASN 116 2HB ASN 116 2.046 15.240 4.564 870 HB3 ASN 116 3HB ASN 116 1.973 14.911 6.292 871 HD21 ASN 116 1HD2 ASN 116 1.633 17.361 3.834 872 HD22 ASN 116 2HD2 ASN 116 0.792 18.497 4.821 873 HA PRO 117 HA PRO 117 6.381 12.827 7.267 874 HB2 PRO 117 2HB PRO 117 5.152 12.013 9.608 875 HB3 PRO 117 3HB PRO 117 6.381 13.278 9.510 876 HG2 PRO 117 2HG PRO 117 3.394 13.544 9.604 877 HG3 PRO 117 3HG PRO 117 4.629 14.490 10.460 878 HD2 PRO 117 2HD PRO 117 3.418 15.459 8.280 879 HD3 PRO 117 3HD PRO 117 5.148 15.751 8.566 880 H VAL 118 H VAL 118 2.866 12.666 7.339 881 HA VAL 118 HA VAL 118 2.410 9.938 7.398 882 HB VAL 118 HB VAL 118 0.845 11.954 5.769 883 HG11 VAL 118 1HG1 VAL 118 0.216 9.680 5.213 884 HG12 VAL 118 2HG1 VAL 118 -1.060 10.426 6.175 885 HG13 VAL 118 3HG1 VAL 118 0.050 9.277 6.923 886 HG21 VAL 118 3HG2 VAL 118 0.547 11.160 8.671 887 HG22 VAL 118 1HG2 VAL 118 -0.555 12.206 7.777 888 HG23 VAL 118 2HG2 VAL 118 1.106 12.720 8.068 889 H LEU 119 H LEU 119 3.532 11.897 4.703 890 HA LEU 119 HA LEU 119 3.111 10.053 2.611 891 HB2 LEU 119 2HB LEU 119 5.342 12.079 2.902 892 HB3 LEU 119 3HB LEU 119 4.864 11.288 1.407 893 HG LEU 119 HG LEU 119 3.157 13.208 3.011 894 HD11 LEU 119 1HD1 LEU 119 4.536 13.561 0.348 895 HD12 LEU 119 2HD1 LEU 119 5.008 14.317 1.872 896 HD13 LEU 119 3HD1 LEU 119 3.464 14.727 1.127 897 HD21 LEU 119 3HD2 LEU 119 1.776 11.535 1.907 898 HD22 LEU 119 1HD2 LEU 119 2.609 11.828 0.379 899 HD23 LEU 119 2HD2 LEU 119 1.613 13.092 1.098 900 H ASN 120 H ASN 120 5.739 10.398 4.948 901 HA ASN 120 HA ASN 120 7.406 8.353 3.868 902 HB2 ASN 120 2HB ASN 120 7.285 9.471 6.683 903 HB3 ASN 120 3HB ASN 120 8.568 8.440 6.056 904 HD21 ASN 120 1HD2 ASN 120 7.184 11.612 6.031 905 HD22 ASN 120 2HD2 ASN 120 8.477 12.390 5.193 906 H ASN 121 H ASN 121 4.783 8.397 6.242 907 HA ASN 121 HA ASN 121 4.921 5.730 7.110 908 HB2 ASN 121 2HB ASN 121 2.414 7.383 6.646 909 HB3 ASN 121 3HB ASN 121 2.523 5.930 7.634 910 HD21 ASN 121 1HD2 ASN 121 1.878 6.964 9.493 911 HD22 ASN 121 2HD2 ASN 121 2.856 8.124 10.316 912 H LEU 122 H LEU 122 3.050 7.119 4.399 913 HA LEU 122 HA LEU 122 2.084 4.756 3.281 914 HB2 LEU 122 2HB LEU 122 2.909 7.333 1.932 915 HB3 LEU 122 3HB LEU 122 2.079 6.029 1.100 916 HG LEU 122 HG LEU 122 0.979 7.647 3.412 917 HD11 LEU 122 1HD1 LEU 122 0.226 7.587 0.485 918 HD12 LEU 122 2HD1 LEU 122 1.061 8.900 1.320 919 HD13 LEU 122 3HD1 LEU 122 -0.603 8.501 1.748 920 HD21 LEU 122 3HD2 LEU 122 -0.315 5.442 1.797 921 HD22 LEU 122 1HD2 LEU 122 -1.111 6.438 3.016 922 HD23 LEU 122 2HD2 LEU 122 0.182 5.336 3.488 923 H LEU 123 H LEU 123 5.175 6.415 2.653 924 HA LEU 123 HA LEU 123 6.204 4.699 0.718 925 HB2 LEU 123 2HB LEU 123 7.239 6.837 1.407 926 HB3 LEU 123 3HB LEU 123 7.733 6.100 2.918 927 HG LEU 123 HG LEU 123 9.183 4.527 1.669 928 HD11 LEU 123 1HD1 LEU 123 8.349 6.133 -0.748 929 HD12 LEU 123 2HD1 LEU 123 7.965 4.441 -0.430 930 HD13 LEU 123 3HD1 LEU 123 9.636 4.927 -0.711 931 HD21 LEU 123 3HD2 LEU 123 10.123 6.598 2.547 932 HD22 LEU 123 1HD2 LEU 123 9.684 7.444 1.062 933 HD23 LEU 123 2HD2 LEU 123 10.893 6.160 1.023 934 H SER 124 H SER 124 6.640 4.505 4.254 935 HA SER 124 HA SER 124 8.019 2.090 4.394 936 HB2 SER 124 2HB SER 124 7.705 3.535 6.346 937 HB3 SER 124 3HB SER 124 5.973 3.212 6.334 938 HG SER 124 HG SER 124 8.100 1.446 6.971 939 H CYS 125 H CYS 125 4.524 2.670 4.234 940 HA CYS 125 HA CYS 125 3.658 0.010 4.556 941 HB2 CYS 125 2HB CYS 125 2.327 2.205 2.950 942 HB3 CYS 125 3HB CYS 125 1.547 0.750 3.564 943 HG CYS 125 HG CYS 125 3.024 2.664 5.899 944 H VAL 126 H VAL 126 4.266 1.874 1.573 945 HA VAL 126 HA VAL 126 3.617 -0.182 -0.243 946 HB VAL 126 HB VAL 126 5.498 2.162 -0.624 947 HG11 VAL 126 1HG1 VAL 126 5.073 1.877 -3.028 948 HG12 VAL 126 2HG1 VAL 126 4.135 0.422 -2.689 949 HG13 VAL 126 3HG1 VAL 126 5.864 0.461 -2.336 950 HG21 VAL 126 3HG2 VAL 126 2.558 1.890 -1.287 951 HG22 VAL 126 1HG2 VAL 126 3.575 3.294 -1.621 952 HG23 VAL 126 2HG2 VAL 126 3.233 2.829 0.045 953 H GLN 127 H GLN 127 6.767 0.823 1.095 954 HA GLN 127 HA GLN 127 8.396 -1.039 -0.219 955 HB2 GLN 127 2HB GLN 127 8.678 0.178 2.541 956 HB3 GLN 127 3HB GLN 127 9.949 -0.723 1.722 957 HG2 GLN 127 2HG GLN 127 10.148 0.939 0.026 958 HG3 GLN 127 3HG GLN 127 8.694 1.768 0.583 959 HE21 GLN 127 1HE2 GLN 127 11.437 2.774 0.280 960 HE22 GLN 127 2HE2 GLN 127 11.890 3.369 1.835 961 H GLU 128 H GLU 128 6.667 -1.305 2.875 962 HA GLU 128 HA GLU 128 7.600 -3.885 3.554 963 HB2 GLU 128 2HB GLU 128 6.599 -2.265 5.145 964 HB3 GLU 128 3HB GLU 128 5.031 -2.516 4.392 965 HG2 GLU 128 2HG GLU 128 5.132 -3.784 6.416 966 HG3 GLU 128 3HG GLU 128 5.140 -4.900 5.052 967 H ILE 129 H ILE 129 4.447 -2.879 2.184 968 HA ILE 129 HA ILE 129 3.287 -5.371 1.835 969 HB ILE 129 HB ILE 129 2.983 -2.881 0.143 970 HG12 ILE 129 2HG1 ILE 129 1.219 -4.033 2.327 971 HG13 ILE 129 3HG1 ILE 129 2.322 -2.676 2.529 972 HG21 ILE 129 1HG2 ILE 129 1.269 -5.369 0.144 973 HG22 ILE 129 2HG2 ILE 129 2.290 -4.802 -1.179 974 HG23 ILE 129 3HG2 ILE 129 0.880 -3.862 -0.689 975 HD11 ILE 129 3HD1 ILE 129 -0.089 -2.755 0.725 976 HD12 ILE 129 1HD1 ILE 129 1.024 -1.396 0.889 977 HD13 ILE 129 2HD1 ILE 129 0.045 -1.907 2.264 978 H SER 130 H SER 130 5.168 -3.546 -0.601 979 HA SER 130 HA SER 130 5.012 -5.491 -2.629 980 HB2 SER 130 2HB SER 130 6.827 -4.265 -3.731 981 HB3 SER 130 3HB SER 130 5.651 -3.139 -3.052 982 HG SER 130 HG SER 130 7.061 -2.550 -1.521 983 H ASP 131 H ASP 131 7.392 -5.025 -0.049 984 HA ASP 131 HA ASP 131 9.269 -6.931 -0.970 985 HB2 ASP 131 2HB ASP 131 9.804 -5.179 0.673 986 HB3 ASP 131 3HB ASP 131 8.758 -5.960 1.853 987 H VAL 132 H VAL 132 6.542 -7.222 1.317 988 HA VAL 132 HA VAL 132 6.918 -9.852 2.155 989 HB VAL 132 HB VAL 132 4.282 -8.445 1.649 990 HG11 VAL 132 1HG1 VAL 132 4.855 -10.905 3.315 991 HG12 VAL 132 2HG1 VAL 132 3.969 -10.869 1.791 992 HG13 VAL 132 3HG1 VAL 132 3.307 -10.064 3.213 993 HG21 VAL 132 3HG2 VAL 132 5.891 -8.733 4.192 994 HG22 VAL 132 1HG2 VAL 132 4.323 -7.937 4.040 995 HG23 VAL 132 2HG2 VAL 132 5.738 -7.263 3.231 996 H VAL 133 H VAL 133 5.354 -8.662 -0.789 997 HA VAL 133 HA VAL 133 4.402 -11.159 -1.736 998 HB VAL 133 HB VAL 133 5.186 -8.770 -3.428 999 HG11 VAL 133 1HG1 VAL 133 3.453 -9.603 -4.964 1000 HG12 VAL 133 2HG1 VAL 133 3.198 -10.995 -3.912 1001 HG13 VAL 133 3HG1 VAL 133 4.745 -10.778 -4.729 1002 HG21 VAL 133 3HG2 VAL 133 2.855 -8.017 -3.181 1003 HG22 VAL 133 1HG2 VAL 133 3.709 -8.032 -1.637 1004 HG23 VAL 133 2HG2 VAL 133 2.566 -9.317 -2.024 1005 H GLN 134 H GLN 134 7.560 -9.772 -1.682 1006 HA GLN 134 HA GLN 134 8.567 -11.513 -3.824 1007 HB2 GLN 134 2HB GLN 134 10.061 -9.378 -2.286 1008 HB3 GLN 134 3HB GLN 134 10.558 -10.152 -3.788 1009 HG2 GLN 134 2HG GLN 134 8.672 -9.106 -4.950 1010 HG3 GLN 134 3HG GLN 134 8.172 -8.338 -3.442 1011 HE21 GLN 134 1HE2 GLN 134 8.394 -6.277 -4.220 1012 HE22 GLN 134 2HE2 GLN 134 9.926 -5.557 -4.554 1013 H ARG 135 H ARG 135 7.920 -12.126 -0.777 1014 HA ARG 135 HA ARG 135 10.519 -13.269 -0.008 1015 HB2 ARG 135 2HB ARG 135 7.955 -13.029 1.591 1016 HB3 ARG 135 3HB ARG 135 9.494 -13.624 2.203 1017 HG2 ARG 135 2HG ARG 135 10.508 -11.434 1.803 1018 HG3 ARG 135 3HG ARG 135 8.971 -10.837 1.178 1019 HD2 ARG 135 2HD ARG 135 7.944 -11.358 3.388 1020 HD3 ARG 135 3HD ARG 135 9.549 -11.774 3.989 1021 HE ARG 135 HE ARG 135 9.939 -9.294 3.053 1022 HH11 ARG 135 1HH1 ARG 135 7.493 -10.590 5.118 1023 HH12 ARG 135 2HH1 ARG 135 7.244 -9.087 5.932 1024 HH21 ARG 135 1HH2 ARG 135 9.604 -7.390 4.097 1025 HH22 ARG 135 2HH2 ARG 135 8.422 -7.288 5.359 Start of MODEL 3 1 H1 MET 1 1H MET 1 -42.492 8.669 21.495 2 H2 MET 1 2H MET 1 -44.005 9.412 21.405 3 H3 MET 1 3H MET 1 -42.725 10.199 22.184 4 HA MET 1 HA MET 1 -42.949 9.581 19.294 5 HB2 MET 1 2HB MET 1 -44.322 11.481 20.046 6 HB3 MET 1 3HB MET 1 -42.905 12.226 20.771 7 HG2 MET 1 2HG MET 1 -41.876 12.406 18.546 8 HG3 MET 1 3HG MET 1 -43.323 11.695 17.834 9 HE1 MET 1 3HE MET 1 -41.812 14.804 19.706 10 HE2 MET 1 1HE MET 1 -43.082 14.281 20.811 11 HE3 MET 1 2HE MET 1 -43.244 15.808 19.942 12 H GLY 2 H GLY 2 -40.961 11.481 21.628 13 HA2 GLY 2 2HA GLY 2 -38.535 10.407 20.420 14 HA3 GLY 2 3HA GLY 2 -38.801 12.124 20.170 15 H HIS 3 H HIS 3 -36.802 10.422 21.732 16 HA HIS 3 HA HIS 3 -36.889 12.073 24.188 17 HB2 HIS 3 2HB HIS 3 -35.890 9.233 23.873 18 HB3 HIS 3 3HB HIS 3 -35.597 10.223 25.298 19 HD1 HIS 3 HD1 HIS 3 -38.127 8.082 23.692 20 HD2 HIS 3 HD2 HIS 3 -37.956 10.791 26.835 21 HE1 HIS 3 HE1 HIS 3 -40.200 7.677 25.040 22 HE2 HIS 3 HE2 HIS 3 -39.980 9.194 27.032 23 H HIS 4 H HIS 4 -34.965 10.771 21.563 24 HA HIS 4 HA HIS 4 -32.936 11.306 20.700 25 HB2 HIS 4 2HB HIS 4 -33.964 13.644 21.046 26 HB3 HIS 4 3HB HIS 4 -32.911 13.768 22.449 27 HD1 HIS 4 HD1 HIS 4 -32.861 13.706 18.704 28 HD2 HIS 4 HD2 HIS 4 -30.193 14.188 21.857 29 HE1 HIS 4 HE1 HIS 4 -30.731 14.522 17.665 30 HE2 HIS 4 HE2 HIS 4 -29.095 14.670 19.565 31 H HIS 5 H HIS 5 -33.180 9.813 23.277 32 HA HIS 5 HA HIS 5 -30.726 10.476 24.711 33 HB2 HIS 5 2HB HIS 5 -32.823 9.884 25.926 34 HB3 HIS 5 3HB HIS 5 -32.733 8.266 25.241 35 HD1 HIS 5 HD1 HIS 5 -30.815 6.718 26.142 36 HD2 HIS 5 HD2 HIS 5 -31.226 10.338 28.128 37 HE1 HIS 5 HE1 HIS 5 -29.453 6.491 28.235 38 HE2 HIS 5 HE2 HIS 5 -29.890 8.610 29.512 39 H HIS 6 H HIS 6 -29.090 9.916 23.245 40 HA HIS 6 HA HIS 6 -29.052 7.291 22.003 41 HB2 HIS 6 2HB HIS 6 -28.300 9.282 20.755 42 HB3 HIS 6 3HB HIS 6 -27.009 9.526 21.924 43 HD1 HIS 6 HD1 HIS 6 -24.893 8.947 20.775 44 HD2 HIS 6 HD2 HIS 6 -27.921 6.246 19.870 45 HE1 HIS 6 HE1 HIS 6 -23.830 7.209 19.309 46 HE2 HIS 6 HE2 HIS 6 -25.717 5.690 18.634 47 H HIS 7 H HIS 7 -28.277 5.535 23.001 48 HA HIS 7 HA HIS 7 -26.052 5.832 24.921 49 HB2 HIS 7 2HB HIS 7 -27.125 4.224 26.440 50 HB3 HIS 7 3HB HIS 7 -28.138 5.643 26.203 51 HD1 HIS 7 HD1 HIS 7 -28.080 1.973 25.771 52 HD2 HIS 7 HD2 HIS 7 -30.485 5.166 24.638 53 HE1 HIS 7 HE1 HIS 7 -30.248 0.953 25.023 54 HE2 HIS 7 HE2 HIS 7 -31.733 2.906 24.487 55 H HIS 8 H HIS 8 -25.167 3.547 25.521 56 HA HIS 8 HA HIS 8 -24.652 2.100 23.046 57 HB2 HIS 8 2HB HIS 8 -23.594 1.618 25.845 58 HB3 HIS 8 3HB HIS 8 -23.034 0.811 24.387 59 HD1 HIS 8 HD1 HIS 8 -22.119 3.463 26.554 60 HD2 HIS 8 HD2 HIS 8 -22.028 2.914 22.433 61 HE1 HIS 8 HE1 HIS 8 -20.463 5.136 25.687 62 HE2 HIS 8 HE2 HIS 8 -20.271 4.635 23.232 63 H SER 9 H SER 9 -24.905 -0.257 22.903 64 HA SER 9 HA SER 9 -26.910 -1.410 24.717 65 HB2 SER 9 2HB SER 9 -28.142 -0.385 22.800 66 HB3 SER 9 3HB SER 9 -27.244 -1.430 21.700 67 HG SER 9 HG SER 9 -29.219 -2.093 23.596 68 H HIS 10 H HIS 10 -27.440 -3.756 23.564 69 HA HIS 10 HA HIS 10 -25.178 -5.343 24.051 70 HB2 HIS 10 2HB HIS 10 -26.553 -7.212 23.212 71 HB3 HIS 10 3HB HIS 10 -27.462 -6.182 24.312 72 HD1 HIS 10 HD1 HIS 10 -29.126 -4.417 23.067 73 HD2 HIS 10 HD2 HIS 10 -27.762 -7.625 20.800 74 HE1 HIS 10 HE1 HIS 10 -30.659 -4.543 21.088 75 HE2 HIS 10 HE2 HIS 10 -29.902 -6.571 19.810 76 H MET 11 H MET 11 -23.411 -5.559 22.827 77 HA MET 11 HA MET 11 -23.700 -5.768 19.909 78 HB2 MET 11 2HB MET 11 -21.583 -4.398 19.666 79 HB3 MET 11 3HB MET 11 -23.015 -3.507 20.162 80 HG2 MET 11 2HG MET 11 -22.233 -3.540 22.482 81 HG3 MET 11 3HG MET 11 -20.798 -4.435 21.986 82 HE1 MET 11 3HE MET 11 -18.962 -1.810 19.722 83 HE2 MET 11 1HE MET 11 -20.094 -3.060 19.211 84 HE3 MET 11 2HE MET 11 -18.880 -3.419 20.440 85 H ALA 12 H ALA 12 -23.387 -7.998 20.041 86 HA ALA 12 HA ALA 12 -20.859 -9.009 21.113 87 HB1 ALA 12 3HB ALA 12 -22.935 -10.258 21.550 88 HB2 ALA 12 1HB ALA 12 -21.760 -11.222 20.654 89 HB3 ALA 12 2HB ALA 12 -23.140 -10.508 19.817 90 H ASN 13 H ASN 13 -19.107 -8.993 19.859 91 HA ASN 13 HA ASN 13 -19.040 -8.327 17.155 92 HB2 ASN 13 2HB ASN 13 -16.669 -9.268 17.232 93 HB3 ASN 13 3HB ASN 13 -17.057 -7.999 18.385 94 HD21 ASN 13 1HD2 ASN 13 -15.437 -8.611 19.785 95 HD22 ASN 13 2HD2 ASN 13 -15.521 -10.044 20.739 96 H GLY 14 H GLY 14 -19.022 -9.425 15.247 97 HA2 GLY 14 2HA GLY 14 -19.636 -12.317 15.393 98 HA3 GLY 14 3HA GLY 14 -20.181 -11.235 14.122 99 H ALA 15 H ALA 15 -19.033 -11.167 12.280 100 HA ALA 15 HA ALA 15 -16.680 -12.858 12.065 101 HB1 ALA 15 3HB ALA 15 -18.190 -11.338 9.939 102 HB2 ALA 15 1HB ALA 15 -18.453 -13.022 10.391 103 HB3 ALA 15 2HB ALA 15 -16.925 -12.536 9.658 104 H ALA 16 H ALA 16 -14.632 -12.174 11.919 105 HA ALA 16 HA ALA 16 -14.053 -9.318 12.032 106 HB1 ALA 16 3HB ALA 16 -12.196 -11.690 12.280 107 HB2 ALA 16 1HB ALA 16 -12.962 -10.836 13.620 108 HB3 ALA 16 2HB ALA 16 -11.783 -10.006 12.603 109 H GLY 17 H GLY 17 -12.564 -8.272 10.619 110 HA2 GLY 17 2HA GLY 17 -11.297 -8.017 8.665 111 HA3 GLY 17 3HA GLY 17 -11.730 -9.650 8.187 112 H THR 18 H THR 18 -12.930 -6.322 8.394 113 HA THR 18 HA THR 18 -15.393 -6.626 7.115 114 HB THR 18 HB THR 18 -13.583 -4.205 6.866 115 HG1 THR 18 HG1 THR 18 -13.915 -3.920 8.934 116 HG21 THR 18 3HG2 THR 18 -16.602 -4.460 6.787 117 HG22 THR 18 1HG2 THR 18 -15.558 -4.148 5.397 118 HG23 THR 18 2HG2 THR 18 -15.691 -2.952 6.686 119 H LYS 19 H LYS 19 -12.180 -6.548 5.776 120 HA LYS 19 HA LYS 19 -12.645 -5.975 3.089 121 HB2 LYS 19 2HB LYS 19 -10.573 -7.209 2.637 122 HB3 LYS 19 3HB LYS 19 -10.399 -6.196 4.064 123 HG2 LYS 19 2HG LYS 19 -10.682 -8.116 5.514 124 HG3 LYS 19 3HG LYS 19 -10.983 -9.157 4.124 125 HD2 LYS 19 2HD LYS 19 -8.707 -8.751 3.315 126 HD3 LYS 19 3HD LYS 19 -8.406 -7.674 4.682 127 HE2 LYS 19 2HE LYS 19 -7.464 -9.930 5.031 128 HE3 LYS 19 3HE LYS 19 -8.677 -9.512 6.240 129 HZ1 LYS 19 3HZ LYS 19 -10.286 -10.834 5.035 130 HZ2 LYS 19 1HZ LYS 19 -8.946 -11.776 5.432 131 HZ3 LYS 19 2HZ LYS 19 -9.145 -11.215 3.853 132 H VAL 20 H VAL 20 -13.478 -8.830 4.878 133 HA VAL 20 HA VAL 20 -14.320 -10.183 2.402 134 HB VAL 20 HB VAL 20 -12.072 -11.009 3.128 135 HG11 VAL 20 1HG1 VAL 20 -12.305 -10.779 5.526 136 HG12 VAL 20 2HG1 VAL 20 -11.902 -12.445 5.108 137 HG13 VAL 20 3HG1 VAL 20 -13.557 -12.022 5.550 138 HG21 VAL 20 3HG2 VAL 20 -12.583 -13.402 2.937 139 HG22 VAL 20 1HG2 VAL 20 -13.513 -12.441 1.786 140 HG23 VAL 20 2HG2 VAL 20 -14.286 -13.062 3.244 141 H ALA 21 H ALA 21 -15.739 -8.750 4.624 142 HA ALA 21 HA ALA 21 -17.046 -10.596 6.323 143 HB1 ALA 21 3HB ALA 21 -16.941 -8.195 6.783 144 HB2 ALA 21 1HB ALA 21 -18.602 -8.787 6.805 145 HB3 ALA 21 2HB ALA 21 -18.004 -7.884 5.413 146 H LEU 22 H LEU 22 -18.972 -8.694 3.999 147 HA LEU 22 HA LEU 22 -20.689 -10.944 3.439 148 HB2 LEU 22 2HB LEU 22 -20.549 -8.217 2.132 149 HB3 LEU 22 3HB LEU 22 -21.806 -9.407 1.846 150 HG LEU 22 HG LEU 22 -21.255 -8.040 4.489 151 HD11 LEU 22 1HD1 LEU 22 -23.389 -6.901 4.100 152 HD12 LEU 22 2HD1 LEU 22 -23.504 -7.657 2.508 153 HD13 LEU 22 3HD1 LEU 22 -22.207 -6.510 2.852 154 HD21 LEU 22 3HD2 LEU 22 -23.450 -9.964 3.704 155 HD22 LEU 22 1HD2 LEU 22 -23.338 -9.098 5.236 156 HD23 LEU 22 2HD2 LEU 22 -22.118 -10.297 4.811 157 H ARG 23 H ARG 23 -18.684 -12.196 2.787 158 HA ARG 23 HA ARG 23 -18.263 -12.367 -0.024 159 HB2 ARG 23 2HB ARG 23 -17.081 -10.281 0.323 160 HB3 ARG 23 3HB ARG 23 -16.190 -10.954 1.674 161 HG2 ARG 23 2HG ARG 23 -14.911 -12.359 0.191 162 HG3 ARG 23 3HG ARG 23 -15.887 -11.849 -1.193 163 HD2 ARG 23 2HD ARG 23 -15.089 -9.610 -1.043 164 HD3 ARG 23 3HD ARG 23 -14.342 -9.910 0.523 165 HE ARG 23 HE ARG 23 -12.817 -11.456 -0.786 166 HH11 ARG 23 1HH1 ARG 23 -14.286 -8.669 -2.185 167 HH12 ARG 23 2HH1 ARG 23 -12.959 -8.370 -3.249 168 HH21 ARG 23 1HH2 ARG 23 -11.113 -11.048 -2.122 169 HH22 ARG 23 2HH2 ARG 23 -11.186 -9.717 -3.225 170 H LYS 24 H LYS 24 -18.526 -14.569 0.290 171 HA LYS 24 HA LYS 24 -16.390 -15.977 1.774 172 HB2 LYS 24 2HB LYS 24 -19.343 -16.661 1.768 173 HB3 LYS 24 3HB LYS 24 -18.086 -17.664 2.473 174 HG2 LYS 24 2HG LYS 24 -18.360 -14.842 3.412 175 HG3 LYS 24 3HG LYS 24 -19.535 -16.039 3.950 176 HD2 LYS 24 2HD LYS 24 -17.896 -16.061 5.623 177 HD3 LYS 24 3HD LYS 24 -17.511 -17.463 4.631 178 HE2 LYS 24 2HE LYS 24 -15.469 -16.336 5.166 179 HE3 LYS 24 3HE LYS 24 -15.799 -16.075 3.455 180 HZ1 LYS 24 3HZ LYS 24 -16.562 -14.109 5.532 181 HZ2 LYS 24 1HZ LYS 24 -16.451 -13.869 3.864 182 HZ3 LYS 24 2HZ LYS 24 -15.051 -14.084 4.785 183 H THR 25 H THR 25 -19.094 -16.570 -0.495 184 HA THR 25 HA THR 25 -17.463 -18.630 -1.832 185 HB THR 25 HB THR 25 -19.693 -19.357 -1.093 186 HG1 THR 25 HG1 THR 25 -19.776 -20.556 -2.824 187 HG21 THR 25 3HG2 THR 25 -21.710 -18.489 -2.235 188 HG22 THR 25 1HG2 THR 25 -20.722 -17.234 -2.986 189 HG23 THR 25 2HG2 THR 25 -20.922 -17.270 -1.232 190 H LYS 26 H LYS 26 -17.425 -18.717 -4.176 191 HA LYS 26 HA LYS 26 -17.357 -15.997 -5.324 192 HB2 LYS 26 2HB LYS 26 -15.855 -18.484 -6.167 193 HB3 LYS 26 3HB LYS 26 -15.693 -16.895 -6.900 194 HG2 LYS 26 2HG LYS 26 -14.838 -16.005 -4.778 195 HG3 LYS 26 3HG LYS 26 -14.989 -17.610 -4.056 196 HD2 LYS 26 2HD LYS 26 -13.414 -18.484 -5.755 197 HD3 LYS 26 3HD LYS 26 -13.218 -16.847 -6.383 198 HE2 LYS 26 2HE LYS 26 -12.317 -16.115 -4.242 199 HE3 LYS 26 3HE LYS 26 -12.567 -17.724 -3.566 200 HZ1 LYS 26 3HZ LYS 26 -10.981 -18.608 -5.140 201 HZ2 LYS 26 1HZ LYS 26 -10.272 -17.361 -4.244 202 HZ3 LYS 26 2HZ LYS 26 -10.765 -17.082 -5.837 203 H GLN 27 H GLN 27 -17.289 -16.328 -7.935 204 HA GLN 27 HA GLN 27 -19.513 -18.028 -8.771 205 HB2 GLN 27 2HB GLN 27 -20.337 -15.883 -10.093 206 HB3 GLN 27 3HB GLN 27 -20.847 -16.195 -8.441 207 HG2 GLN 27 2HG GLN 27 -19.074 -14.670 -7.637 208 HG3 GLN 27 3HG GLN 27 -18.654 -14.314 -9.311 209 HE21 GLN 27 1HE2 GLN 27 -21.430 -14.357 -10.207 210 HE22 GLN 27 2HE2 GLN 27 -22.136 -12.894 -9.629 211 H ALA 28 H ALA 28 -18.106 -15.331 -10.631 212 HA ALA 28 HA ALA 28 -16.615 -17.289 -12.258 213 HB1 ALA 28 3HB ALA 28 -17.364 -16.273 -14.311 214 HB2 ALA 28 1HB ALA 28 -18.290 -15.063 -13.421 215 HB3 ALA 28 2HB ALA 28 -18.767 -16.759 -13.362 216 H ALA 29 H ALA 29 -14.673 -16.607 -13.091 217 HA ALA 29 HA ALA 29 -13.263 -14.615 -11.707 218 HB1 ALA 29 3HB ALA 29 -12.195 -16.556 -12.738 219 HB2 ALA 29 1HB ALA 29 -11.438 -15.053 -13.260 220 HB3 ALA 29 2HB ALA 29 -12.545 -15.904 -14.339 221 H GLU 30 H GLU 30 -15.321 -14.299 -14.417 222 HA GLU 30 HA GLU 30 -14.242 -11.963 -15.602 223 HB2 GLU 30 2HB GLU 30 -17.071 -13.035 -15.533 224 HB3 GLU 30 3HB GLU 30 -16.578 -11.653 -16.500 225 HG2 GLU 30 2HG GLU 30 -16.701 -13.665 -17.851 226 HG3 GLU 30 3HG GLU 30 -15.046 -13.066 -17.770 227 H LYS 31 H LYS 31 -16.560 -12.471 -12.978 228 HA LYS 31 HA LYS 31 -16.870 -9.593 -12.564 229 HB2 LYS 31 2HB LYS 31 -18.697 -11.508 -12.392 230 HB3 LYS 31 3HB LYS 31 -18.074 -11.671 -10.761 231 HG2 LYS 31 2HG LYS 31 -19.148 -9.105 -11.923 232 HG3 LYS 31 3HG LYS 31 -20.092 -10.236 -10.956 233 HD2 LYS 31 2HD LYS 31 -18.567 -9.888 -9.063 234 HD3 LYS 31 3HD LYS 31 -17.612 -8.771 -10.040 235 HE2 LYS 31 2HE LYS 31 -19.581 -7.308 -10.258 236 HE3 LYS 31 3HE LYS 31 -20.500 -8.409 -9.234 237 HZ1 LYS 31 3HZ LYS 31 -18.945 -7.965 -7.436 238 HZ2 LYS 31 1HZ LYS 31 -19.658 -6.529 -7.981 239 HZ3 LYS 31 2HZ LYS 31 -18.069 -6.908 -8.423 240 H ILE 32 H ILE 32 -15.414 -12.410 -11.036 241 HA ILE 32 HA ILE 32 -14.737 -11.233 -8.548 242 HB ILE 32 HB ILE 32 -13.367 -13.522 -9.983 243 HG12 ILE 32 2HG1 ILE 32 -15.486 -13.675 -7.819 244 HG13 ILE 32 3HG1 ILE 32 -15.850 -13.801 -9.539 245 HG21 ILE 32 1HG2 ILE 32 -12.591 -14.187 -7.740 246 HG22 ILE 32 2HG2 ILE 32 -13.301 -12.718 -7.067 247 HG23 ILE 32 3HG2 ILE 32 -11.966 -12.608 -8.217 248 HD11 ILE 32 3HD1 ILE 32 -15.726 -15.989 -8.535 249 HD12 ILE 32 1HD1 ILE 32 -14.097 -15.659 -7.946 250 HD13 ILE 32 2HD1 ILE 32 -14.402 -15.775 -9.679 251 H SER 33 H SER 33 -13.322 -9.621 -8.185 252 HA SER 33 HA SER 33 -11.199 -9.019 -10.079 253 HB2 SER 33 2HB SER 33 -12.431 -7.161 -9.033 254 HB3 SER 33 3HB SER 33 -11.892 -7.687 -7.440 255 HG SER 33 HG SER 33 -10.469 -6.133 -8.014 256 H ALA 34 H ALA 34 -11.539 -10.389 -6.863 257 HA ALA 34 HA ALA 34 -8.976 -10.281 -5.864 258 HB1 ALA 34 3HB ALA 34 -9.553 -12.192 -4.487 259 HB2 ALA 34 1HB ALA 34 -10.885 -12.602 -5.567 260 HB3 ALA 34 2HB ALA 34 -10.937 -11.109 -4.628 261 H ASP 35 H ASP 35 -10.280 -13.111 -7.640 262 HA ASP 35 HA ASP 35 -7.731 -14.352 -7.902 263 HB2 ASP 35 2HB ASP 35 -10.379 -14.875 -9.268 264 HB3 ASP 35 3HB ASP 35 -8.959 -15.908 -9.442 265 H LYS 36 H LYS 36 -9.005 -11.726 -9.531 266 HA LYS 36 HA LYS 36 -7.573 -12.182 -12.025 267 HB2 LYS 36 2HB LYS 36 -9.649 -11.014 -12.228 268 HB3 LYS 36 3HB LYS 36 -9.228 -9.886 -10.953 269 HG2 LYS 36 2HG LYS 36 -7.539 -9.941 -13.414 270 HG3 LYS 36 3HG LYS 36 -9.139 -9.202 -13.500 271 HD2 LYS 36 2HD LYS 36 -8.532 -7.736 -11.598 272 HD3 LYS 36 3HD LYS 36 -6.917 -8.444 -11.588 273 HE2 LYS 36 2HE LYS 36 -8.153 -6.939 -13.896 274 HE3 LYS 36 3HE LYS 36 -6.994 -6.273 -12.750 275 HZ1 LYS 36 3HZ LYS 36 -6.529 -8.459 -14.693 276 HZ2 LYS 36 1HZ LYS 36 -5.425 -8.021 -13.490 277 HZ3 LYS 36 2HZ LYS 36 -5.834 -6.919 -14.701 278 H ILE 37 H ILE 37 -7.071 -10.668 -8.949 279 HA ILE 37 HA ILE 37 -5.119 -8.755 -9.596 280 HB ILE 37 HB ILE 37 -5.385 -10.306 -7.006 281 HG12 ILE 37 2HG1 ILE 37 -7.494 -9.229 -7.528 282 HG13 ILE 37 3HG1 ILE 37 -6.707 -8.331 -6.237 283 HG21 ILE 37 1HG2 ILE 37 -3.245 -9.186 -7.125 284 HG22 ILE 37 2HG2 ILE 37 -4.286 -8.333 -5.984 285 HG23 ILE 37 3HG2 ILE 37 -4.021 -7.676 -7.599 286 HD11 ILE 37 3HD1 ILE 37 -5.998 -6.641 -7.836 287 HD12 ILE 37 1HD1 ILE 37 -7.747 -6.851 -7.862 288 HD13 ILE 37 2HD1 ILE 37 -6.755 -7.546 -9.145 289 H SER 38 H SER 38 -3.356 -9.277 -10.773 290 HA SER 38 HA SER 38 -1.870 -11.728 -10.315 291 HB2 SER 38 2HB SER 38 -1.236 -9.385 -12.140 292 HB3 SER 38 3HB SER 38 -0.430 -10.952 -12.153 293 HG SER 38 HG SER 38 -1.980 -11.681 -13.350 294 H LYS 39 H LYS 39 0.236 -11.888 -9.537 295 HA LYS 39 HA LYS 39 1.037 -10.282 -7.413 296 HB2 LYS 39 2HB LYS 39 1.774 -12.617 -7.881 297 HB3 LYS 39 3HB LYS 39 2.795 -12.017 -9.172 298 HG2 LYS 39 2HG LYS 39 3.178 -10.953 -6.405 299 HG3 LYS 39 3HG LYS 39 3.780 -12.560 -6.802 300 HD2 LYS 39 2HD LYS 39 5.051 -11.568 -8.692 301 HD3 LYS 39 3HD LYS 39 4.515 -9.970 -8.179 302 HE2 LYS 39 2HE LYS 39 6.767 -10.440 -7.364 303 HE3 LYS 39 3HE LYS 39 5.633 -10.279 -6.023 304 HZ1 LYS 39 3HZ LYS 39 6.590 -12.851 -7.161 305 HZ2 LYS 39 1HZ LYS 39 5.548 -12.679 -5.842 306 HZ3 LYS 39 2HZ LYS 39 7.145 -12.147 -5.729 307 H GLU 40 H GLU 40 2.225 -10.263 -10.768 308 HA GLU 40 HA GLU 40 4.047 -8.146 -10.559 309 HB2 GLU 40 2HB GLU 40 3.746 -7.923 -13.029 310 HB3 GLU 40 3HB GLU 40 4.034 -9.576 -12.502 311 HG2 GLU 40 2HG GLU 40 1.692 -10.112 -12.728 312 HG3 GLU 40 3HG GLU 40 1.311 -8.434 -13.105 313 H ALA 41 H ALA 41 0.563 -8.097 -11.230 314 HA ALA 41 HA ALA 41 0.337 -5.389 -11.974 315 HB1 ALA 41 3HB ALA 41 -1.766 -7.172 -10.740 316 HB2 ALA 41 1HB ALA 41 -1.392 -7.054 -12.459 317 HB3 ALA 41 2HB ALA 41 -2.060 -5.664 -11.606 318 H LEU 42 H LEU 42 -0.153 -6.982 -8.829 319 HA LEU 42 HA LEU 42 -0.852 -4.729 -7.329 320 HB2 LEU 42 2HB LEU 42 -0.949 -7.135 -6.597 321 HB3 LEU 42 3HB LEU 42 0.788 -7.093 -6.371 322 HG LEU 42 HG LEU 42 -1.019 -5.191 -4.872 323 HD11 LEU 42 1HD1 LEU 42 -1.057 -6.783 -3.023 324 HD12 LEU 42 2HD1 LEU 42 -0.230 -7.978 -4.022 325 HD13 LEU 42 3HD1 LEU 42 -1.856 -7.444 -4.449 326 HD21 LEU 42 3HD2 LEU 42 0.819 -5.232 -3.238 327 HD22 LEU 42 1HD2 LEU 42 1.368 -4.692 -4.824 328 HD23 LEU 42 2HD2 LEU 42 1.719 -6.333 -4.282 329 H LEU 43 H LEU 43 2.357 -6.044 -8.107 330 HA LEU 43 HA LEU 43 3.856 -4.236 -6.546 331 HB2 LEU 43 2HB LEU 43 4.658 -5.757 -9.027 332 HB3 LEU 43 3HB LEU 43 5.772 -4.906 -7.972 333 HG LEU 43 HG LEU 43 4.109 -7.330 -7.261 334 HD11 LEU 43 1HD1 LEU 43 6.303 -8.394 -6.972 335 HD12 LEU 43 2HD1 LEU 43 7.086 -6.915 -7.526 336 HD13 LEU 43 3HD1 LEU 43 6.051 -7.830 -8.624 337 HD21 LEU 43 3HD2 LEU 43 5.218 -7.253 -5.073 338 HD22 LEU 43 1HD2 LEU 43 4.230 -5.816 -5.341 339 HD23 LEU 43 2HD2 LEU 43 5.983 -5.725 -5.514 340 H GLU 44 H GLU 44 3.049 -4.112 -10.045 341 HA GLU 44 HA GLU 44 4.553 -1.759 -10.524 342 HB2 GLU 44 2HB GLU 44 3.407 -1.629 -12.673 343 HB3 GLU 44 3HB GLU 44 3.941 -3.268 -12.340 344 HG2 GLU 44 2HG GLU 44 1.668 -3.898 -11.718 345 HG3 GLU 44 3HG GLU 44 1.124 -2.245 -12.009 346 H CYS 45 H CYS 45 1.141 -2.232 -9.678 347 HA CYS 45 HA CYS 45 0.413 0.509 -9.859 348 HB2 CYS 45 2HB CYS 45 -0.806 -1.764 -8.280 349 HB3 CYS 45 3HB CYS 45 -1.526 -0.162 -8.401 350 HG CYS 45 HG CYS 45 -1.614 -0.390 -11.298 351 H ALA 46 H ALA 46 1.692 -1.463 -7.201 352 HA ALA 46 HA ALA 46 1.598 0.591 -5.224 353 HB1 ALA 46 3HB ALA 46 3.136 -0.842 -3.960 354 HB2 ALA 46 1HB ALA 46 3.389 -1.840 -5.394 355 HB3 ALA 46 2HB ALA 46 1.797 -1.770 -4.636 356 H ASP 47 H ASP 47 3.971 -0.362 -7.635 357 HA ASP 47 HA ASP 47 6.176 1.138 -6.846 358 HB2 ASP 47 2HB ASP 47 6.231 -0.545 -8.636 359 HB3 ASP 47 3HB ASP 47 5.238 0.491 -9.656 360 H LEU 48 H LEU 48 3.270 2.106 -8.572 361 HA LEU 48 HA LEU 48 3.998 4.640 -9.454 362 HB2 LEU 48 2HB LEU 48 1.327 3.667 -8.429 363 HB3 LEU 48 3HB LEU 48 1.564 5.202 -9.243 364 HG LEU 48 HG LEU 48 2.032 2.470 -10.450 365 HD11 LEU 48 1HD1 LEU 48 0.119 3.021 -11.875 366 HD12 LEU 48 2HD1 LEU 48 -0.114 4.526 -10.983 367 HD13 LEU 48 3HD1 LEU 48 -0.332 2.975 -10.170 368 HD21 LEU 48 3HD2 LEU 48 3.613 4.092 -11.333 369 HD22 LEU 48 1HD2 LEU 48 2.299 5.221 -11.671 370 HD23 LEU 48 2HD2 LEU 48 2.399 3.694 -12.550 371 H LEU 49 H LEU 49 2.732 3.688 -6.256 372 HA LEU 49 HA LEU 49 2.667 6.328 -5.207 373 HB2 LEU 49 2HB LEU 49 2.815 3.660 -3.792 374 HB3 LEU 49 3HB LEU 49 2.626 5.192 -2.961 375 HG LEU 49 HG LEU 49 0.491 5.521 -4.316 376 HD11 LEU 49 1HD1 LEU 49 -0.579 3.512 -5.199 377 HD12 LEU 49 2HD1 LEU 49 0.880 2.579 -4.863 378 HD13 LEU 49 3HD1 LEU 49 0.916 3.876 -6.059 379 HD21 LEU 49 3HD2 LEU 49 -0.836 4.093 -2.824 380 HD22 LEU 49 1HD2 LEU 49 0.452 4.926 -1.956 381 HD23 LEU 49 2HD2 LEU 49 0.625 3.218 -2.362 382 H SER 50 H SER 50 5.064 3.711 -4.874 383 HA SER 50 HA SER 50 6.930 5.056 -3.278 384 HB2 SER 50 2HB SER 50 7.069 2.639 -3.760 385 HB3 SER 50 3HB SER 50 7.484 2.994 -5.436 386 HG SER 50 HG SER 50 9.472 3.325 -4.847 387 H SER 51 H SER 51 6.789 4.838 -6.827 388 HA SER 51 HA SER 51 9.008 6.498 -7.353 389 HB2 SER 51 2HB SER 51 6.603 5.922 -9.112 390 HB3 SER 51 3HB SER 51 8.127 6.617 -9.659 391 HG SER 51 HG SER 51 7.497 4.046 -9.403 392 H ALA 52 H ALA 52 5.523 7.243 -7.204 393 HA ALA 52 HA ALA 52 5.692 9.943 -7.952 394 HB1 ALA 52 3HB ALA 52 3.471 10.195 -7.031 395 HB2 ALA 52 1HB ALA 52 3.652 8.706 -6.103 396 HB3 ALA 52 2HB ALA 52 3.589 8.643 -7.866 397 H LEU 53 H LEU 53 6.159 8.397 -4.816 398 HA LEU 53 HA LEU 53 6.125 10.822 -3.299 399 HB2 LEU 53 2HB LEU 53 7.067 8.032 -2.671 400 HB3 LEU 53 3HB LEU 53 7.177 9.342 -1.509 401 HG LEU 53 HG LEU 53 4.593 8.378 -2.760 402 HD11 LEU 53 1HD1 LEU 53 4.114 7.346 -0.618 403 HD12 LEU 53 2HD1 LEU 53 5.684 7.853 0.005 404 HD13 LEU 53 3HD1 LEU 53 5.593 6.673 -1.304 405 HD21 LEU 53 3HD2 LEU 53 5.103 10.283 -0.468 406 HD22 LEU 53 1HD2 LEU 53 3.523 9.743 -1.041 407 HD23 LEU 53 2HD2 LEU 53 4.545 10.730 -2.083 408 H THR 54 H THR 54 8.477 9.555 -5.386 409 HA THR 54 HA THR 54 10.730 10.799 -3.989 410 HB THR 54 HB THR 54 12.163 10.003 -5.746 411 HG1 THR 54 HG1 THR 54 9.748 9.738 -7.178 412 HG21 THR 54 3HG2 THR 54 11.723 7.591 -5.717 413 HG22 THR 54 1HG2 THR 54 10.077 7.891 -5.156 414 HG23 THR 54 2HG2 THR 54 11.451 8.302 -4.127 415 H GLU 55 H GLU 55 8.244 11.964 -5.757 416 HA GLU 55 HA GLU 55 9.735 14.350 -6.580 417 HB2 GLU 55 2HB GLU 55 8.513 14.396 -8.757 418 HB3 GLU 55 3HB GLU 55 9.637 13.054 -8.618 419 HG2 GLU 55 2HG GLU 55 7.809 11.530 -8.139 420 HG3 GLU 55 3HG GLU 55 6.660 12.864 -8.185 421 HA PRO 56 HA PRO 56 6.179 16.474 -4.943 422 HB2 PRO 56 2HB PRO 56 5.827 18.591 -6.637 423 HB3 PRO 56 3HB PRO 56 7.136 18.503 -5.454 424 HG2 PRO 56 2HG PRO 56 7.195 17.899 -8.392 425 HG3 PRO 56 3HG PRO 56 8.374 18.787 -7.410 426 HD2 PRO 56 2HD PRO 56 8.747 16.207 -8.141 427 HD3 PRO 56 3HD PRO 56 9.344 16.849 -6.596 428 H VAL 57 H VAL 57 4.174 15.671 -5.003 429 HA VAL 57 HA VAL 57 2.587 15.841 -7.463 430 HB VAL 57 HB VAL 57 1.604 13.562 -6.985 431 HG11 VAL 57 1HG1 VAL 57 3.188 13.885 -8.812 432 HG12 VAL 57 2HG1 VAL 57 3.397 12.300 -8.068 433 HG13 VAL 57 3HG1 VAL 57 4.537 13.599 -7.713 434 HG21 VAL 57 3HG2 VAL 57 4.030 13.280 -5.200 435 HG22 VAL 57 1HG2 VAL 57 2.923 11.980 -5.647 436 HG23 VAL 57 2HG2 VAL 57 2.347 13.330 -4.671 437 HA PRO 58 HA PRO 58 -0.677 17.237 -4.724 438 HB2 PRO 58 2HB PRO 58 -2.829 15.969 -5.964 439 HB3 PRO 58 3HB PRO 58 -2.177 17.547 -6.409 440 HG2 PRO 58 2HG PRO 58 -1.689 14.875 -7.649 441 HG3 PRO 58 3HG PRO 58 -1.844 16.464 -8.422 442 HD2 PRO 58 2HD PRO 58 0.549 15.280 -8.077 443 HD3 PRO 58 3HD PRO 58 0.353 17.041 -7.958 444 H ASN 59 H ASN 59 -0.987 16.431 -2.729 445 HA ASN 59 HA ASN 59 -0.583 13.773 -2.000 446 HB2 ASN 59 2HB ASN 59 -2.190 15.862 -0.503 447 HB3 ASN 59 3HB ASN 59 -1.510 14.391 0.192 448 HD21 ASN 59 1HD2 ASN 59 0.762 14.232 0.402 449 HD22 ASN 59 2HD2 ASN 59 1.764 15.638 0.386 450 H SER 60 H SER 60 -3.549 15.379 -2.980 451 HA SER 60 HA SER 60 -5.409 13.384 -2.293 452 HB2 SER 60 2HB SER 60 -5.489 15.242 -4.692 453 HB3 SER 60 3HB SER 60 -6.863 14.377 -4.003 454 HG SER 60 HG SER 60 -6.717 16.568 -3.298 455 H GLN 61 H GLN 61 -3.341 13.753 -5.133 456 HA GLN 61 HA GLN 61 -4.307 11.603 -6.678 457 HB2 GLN 61 2HB GLN 61 -2.863 13.282 -7.654 458 HB3 GLN 61 3HB GLN 61 -1.571 12.890 -6.530 459 HG2 GLN 61 2HG GLN 61 -1.324 10.689 -7.575 460 HG3 GLN 61 3HG GLN 61 -2.625 11.080 -8.700 461 HE21 GLN 61 1HE2 GLN 61 0.182 10.419 -9.218 462 HE22 GLN 61 2HE2 GLN 61 0.826 11.752 -10.110 463 H LEU 62 H LEU 62 -1.789 11.787 -4.195 464 HA LEU 62 HA LEU 62 -0.865 9.146 -4.303 465 HB2 LEU 62 2HB LEU 62 -1.100 11.000 -1.927 466 HB3 LEU 62 3HB LEU 62 -0.174 9.509 -1.936 467 HG LEU 62 HG LEU 62 0.370 11.871 -3.750 468 HD11 LEU 62 1HD1 LEU 62 1.823 11.008 -1.246 469 HD12 LEU 62 2HD1 LEU 62 0.790 12.430 -1.404 470 HD13 LEU 62 3HD1 LEU 62 2.289 12.324 -2.327 471 HD21 LEU 62 3HD2 LEU 62 2.488 10.700 -4.200 472 HD22 LEU 62 1HD2 LEU 62 1.091 9.753 -4.709 473 HD23 LEU 62 2HD2 LEU 62 1.940 9.341 -3.220 474 H VAL 63 H VAL 63 -3.420 10.529 -2.218 475 HA VAL 63 HA VAL 63 -4.233 8.141 -0.990 476 HB VAL 63 HB VAL 63 -5.969 10.539 -1.639 477 HG11 VAL 63 1HG1 VAL 63 -7.323 9.818 0.279 478 HG12 VAL 63 2HG1 VAL 63 -6.301 8.393 0.467 479 HG13 VAL 63 3HG1 VAL 63 -7.286 8.586 -0.984 480 HG21 VAL 63 3HG2 VAL 63 -4.299 9.979 0.817 481 HG22 VAL 63 1HG2 VAL 63 -5.390 11.348 0.598 482 HG23 VAL 63 2HG2 VAL 63 -3.957 11.191 -0.417 483 H ASP 64 H ASP 64 -5.384 9.687 -3.977 484 HA ASP 64 HA ASP 64 -7.497 7.888 -4.479 485 HB2 ASP 64 2HB ASP 64 -7.192 10.169 -5.512 486 HB3 ASP 64 3HB ASP 64 -5.964 9.459 -6.559 487 H THR 65 H THR 65 -4.153 7.955 -5.700 488 HA THR 65 HA THR 65 -4.317 5.634 -7.301 489 HB THR 65 HB THR 65 -1.857 6.714 -5.883 490 HG1 THR 65 HG1 THR 65 -2.846 8.261 -7.284 491 HG21 THR 65 3HG2 THR 65 -1.508 4.440 -6.706 492 HG22 THR 65 1HG2 THR 65 -0.605 5.588 -7.696 493 HG23 THR 65 2HG2 THR 65 -2.115 4.901 -8.296 494 H GLY 66 H GLY 66 -3.619 6.099 -3.867 495 HA2 GLY 66 2HA GLY 66 -2.890 3.422 -3.270 496 HA3 GLY 66 3HA GLY 66 -3.459 4.617 -2.119 497 H HIS 67 H HIS 67 -6.015 4.942 -3.684 498 HA HIS 67 HA HIS 67 -7.651 3.218 -2.240 499 HB2 HIS 67 2HB HIS 67 -8.214 4.628 -4.852 500 HB3 HIS 67 3HB HIS 67 -9.441 3.791 -3.912 501 HD1 HIS 67 HD1 HIS 67 -9.303 6.912 -4.579 502 HD2 HIS 67 HD2 HIS 67 -8.363 5.089 -0.967 503 HE1 HIS 67 HE1 HIS 67 -9.593 8.689 -2.834 504 HE2 HIS 67 HE2 HIS 67 -9.263 7.491 -0.650 505 H GLN 68 H GLN 68 -6.561 2.837 -5.634 506 HA GLN 68 HA GLN 68 -7.937 0.402 -6.071 507 HB2 GLN 68 2HB GLN 68 -6.547 0.126 -8.041 508 HB3 GLN 68 3HB GLN 68 -7.058 1.802 -7.908 509 HG2 GLN 68 2HG GLN 68 -4.892 2.460 -7.102 510 HG3 GLN 68 3HG GLN 68 -4.366 0.779 -7.028 511 HE21 GLN 68 1HE2 GLN 68 -3.192 2.992 -8.488 512 HE22 GLN 68 2HE2 GLN 68 -3.183 2.516 -10.150 513 H LEU 69 H LEU 69 -4.760 1.115 -4.705 514 HA LEU 69 HA LEU 69 -3.704 -1.483 -4.684 515 HB2 LEU 69 2HB LEU 69 -3.206 0.973 -3.061 516 HB3 LEU 69 3HB LEU 69 -2.537 -0.542 -2.489 517 HG LEU 69 HG LEU 69 -0.875 0.682 -3.761 518 HD11 LEU 69 1HD1 LEU 69 -0.822 -1.757 -3.866 519 HD12 LEU 69 2HD1 LEU 69 -0.251 -1.047 -5.375 520 HD13 LEU 69 3HD1 LEU 69 -1.873 -1.731 -5.282 521 HD21 LEU 69 3HD2 LEU 69 -1.158 1.111 -6.167 522 HD22 LEU 69 1HD2 LEU 69 -2.329 2.004 -5.193 523 HD23 LEU 69 2HD2 LEU 69 -2.829 0.554 -6.062 524 H LEU 70 H LEU 70 -5.977 0.077 -2.479 525 HA LEU 70 HA LEU 70 -6.031 -1.973 -0.533 526 HB2 LEU 70 2HB LEU 70 -7.788 0.299 -1.275 527 HB3 LEU 70 3HB LEU 70 -8.553 -0.999 -0.378 528 HG LEU 70 HG LEU 70 -7.752 0.848 1.075 529 HD11 LEU 70 1HD1 LEU 70 -7.996 -1.402 1.983 530 HD12 LEU 70 2HD1 LEU 70 -6.648 -0.556 2.741 531 HD13 LEU 70 3HD1 LEU 70 -6.339 -1.786 1.515 532 HD21 LEU 70 3HD2 LEU 70 -5.772 1.510 -0.192 533 HD22 LEU 70 1HD2 LEU 70 -4.998 -0.029 0.189 534 HD23 LEU 70 2HD2 LEU 70 -5.352 1.125 1.478 535 H ASP 71 H ASP 71 -7.766 -1.619 -3.610 536 HA ASP 71 HA ASP 71 -9.408 -3.922 -3.282 537 HB2 ASP 71 2HB ASP 71 -9.831 -2.128 -4.978 538 HB3 ASP 71 3HB ASP 71 -8.437 -2.705 -5.885 539 H TYR 72 H TYR 72 -6.312 -3.429 -5.029 540 HA TYR 72 HA TYR 72 -5.815 -6.044 -5.822 541 HB2 TYR 72 2HB TYR 72 -3.868 -3.913 -4.905 542 HB3 TYR 72 3HB TYR 72 -3.357 -5.439 -5.611 543 HD1 TYR 72 HD1 TYR 72 -4.297 -5.974 -7.990 544 HD2 TYR 72 HD2 TYR 72 -4.250 -2.074 -6.291 545 HE1 TYR 72 HE1 TYR 72 -4.447 -5.000 -10.240 546 HE2 TYR 72 HE2 TYR 72 -4.409 -1.089 -8.534 547 HH TYR 72 HH TYR 72 -3.822 -1.769 -10.880 548 H CYS 73 H CYS 73 -4.827 -4.495 -2.770 549 HA CYS 73 HA CYS 73 -3.602 -6.757 -1.624 550 HB2 CYS 73 2HB CYS 73 -4.817 -4.326 -0.294 551 HB3 CYS 73 3HB CYS 73 -3.822 -5.519 0.535 552 HG CYS 73 HG CYS 73 -2.911 -3.024 -1.520 553 H SER 74 H SER 74 -6.891 -5.447 -1.095 554 HA SER 74 HA SER 74 -7.725 -7.277 0.848 555 HB2 SER 74 2HB SER 74 -9.013 -5.264 0.341 556 HB3 SER 74 3HB SER 74 -9.401 -5.888 -1.262 557 HG SER 74 HG SER 74 -11.114 -6.266 0.174 558 H GLY 75 H GLY 75 -7.884 -7.535 -2.690 559 HA2 GLY 75 2HA GLY 75 -9.230 -10.090 -2.630 560 HA3 GLY 75 3HA GLY 75 -8.547 -9.299 -4.042 561 H TYR 76 H TYR 76 -5.879 -9.021 -2.958 562 HA TYR 76 HA TYR 76 -4.874 -11.551 -3.832 563 HB2 TYR 76 2HB TYR 76 -3.855 -9.274 -4.280 564 HB3 TYR 76 3HB TYR 76 -3.290 -9.281 -2.616 565 HD1 TYR 76 HD2 TYR 76 -2.910 -10.820 -5.935 566 HD2 TYR 76 HD1 TYR 76 -1.396 -10.658 -1.952 567 HE1 TYR 76 HE2 TYR 76 -0.886 -12.006 -6.662 568 HE2 TYR 76 HE1 TYR 76 0.635 -11.843 -2.676 569 HH TYR 76 HH TYR 76 1.263 -13.432 -4.582 570 H VAL 77 H VAL 77 -5.064 -9.951 -0.657 571 HA VAL 77 HA VAL 77 -3.131 -11.542 0.620 572 HB VAL 77 HB VAL 77 -3.905 -9.355 1.486 573 HG11 VAL 77 1HG1 VAL 77 -6.330 -10.871 2.447 574 HG12 VAL 77 2HG1 VAL 77 -6.310 -9.589 1.236 575 HG13 VAL 77 3HG1 VAL 77 -5.891 -9.225 2.915 576 HG21 VAL 77 3HG2 VAL 77 -3.684 -9.924 3.828 577 HG22 VAL 77 1HG2 VAL 77 -2.587 -10.901 2.856 578 HG23 VAL 77 2HG2 VAL 77 -4.077 -11.608 3.484 579 H ASP 78 H ASP 78 -6.674 -11.989 0.463 580 HA ASP 78 HA ASP 78 -6.609 -14.342 2.112 581 HB2 ASP 78 2HB ASP 78 -8.759 -13.235 0.291 582 HB3 ASP 78 3HB ASP 78 -8.973 -14.645 1.327 583 H CYS 79 H CYS 79 -5.497 -13.842 -0.961 584 HA CYS 79 HA CYS 79 -6.032 -16.586 -1.866 585 HB2 CYS 79 2HB CYS 79 -4.655 -14.277 -3.266 586 HB3 CYS 79 3HB CYS 79 -4.899 -15.872 -3.968 587 HG CYS 79 HG CYS 79 -6.892 -13.286 -3.993 588 H ILE 80 H ILE 80 -3.843 -15.055 0.077 589 HA ILE 80 HA ILE 80 -1.442 -16.428 -0.826 590 HB ILE 80 HB ILE 80 -1.917 -14.711 1.624 591 HG12 ILE 80 2HG1 ILE 80 -0.539 -14.076 -1.006 592 HG13 ILE 80 3HG1 ILE 80 -2.128 -13.493 -0.518 593 HG21 ILE 80 1HG2 ILE 80 0.670 -15.784 0.485 594 HG22 ILE 80 2HG2 ILE 80 -0.086 -16.275 2.001 595 HG23 ILE 80 3HG2 ILE 80 0.534 -14.635 1.818 596 HD11 ILE 80 3HD1 ILE 80 -1.117 -12.256 1.320 597 HD12 ILE 80 1HD1 ILE 80 -0.421 -11.790 -0.231 598 HD13 ILE 80 2HD1 ILE 80 0.475 -12.855 0.853 599 HA PRO 81 HA PRO 81 -2.674 -20.022 1.696 600 HB2 PRO 81 2HB PRO 81 -0.216 -21.197 0.547 601 HB3 PRO 81 3HB PRO 81 -1.886 -21.767 0.449 602 HG2 PRO 81 2HG PRO 81 -0.629 -20.718 -1.682 603 HG3 PRO 81 3HG PRO 81 -2.361 -20.456 -1.401 604 HD2 PRO 81 2HD PRO 81 -0.052 -18.610 -0.857 605 HD3 PRO 81 3HD PRO 81 -1.640 -18.248 -1.571 606 H GLN 82 H GLN 82 0.472 -18.471 1.537 607 HA GLN 82 HA GLN 82 1.489 -19.779 3.913 608 HB2 GLN 82 2HB GLN 82 2.599 -17.383 2.421 609 HB3 GLN 82 3HB GLN 82 3.448 -18.321 3.638 610 HG2 GLN 82 2HG GLN 82 4.306 -19.089 1.611 611 HG3 GLN 82 3HG GLN 82 3.128 -20.318 2.073 612 HE21 GLN 82 1HE2 GLN 82 2.285 -17.179 0.774 613 HE22 GLN 82 2HE2 GLN 82 1.684 -17.754 -0.739 614 H THR 83 H THR 83 0.148 -19.248 5.648 615 HA THR 83 HA THR 83 -1.035 -16.804 6.197 616 HB THR 83 HB THR 83 -0.039 -18.803 8.249 617 HG1 THR 83 HG1 THR 83 -2.263 -19.540 8.086 618 HG21 THR 83 3HG2 THR 83 -2.163 -16.654 8.448 619 HG22 THR 83 1HG2 THR 83 -0.613 -16.664 9.291 620 HG23 THR 83 2HG2 THR 83 -1.835 -17.877 9.674 621 H ARG 84 H ARG 84 2.262 -17.819 6.902 622 HA ARG 84 HA ARG 84 2.994 -15.726 8.634 623 HB2 ARG 84 2HB ARG 84 4.726 -17.253 6.674 624 HB3 ARG 84 3HB ARG 84 5.321 -16.277 8.010 625 HG2 ARG 84 2HG ARG 84 3.571 -18.718 8.303 626 HG3 ARG 84 3HG ARG 84 5.325 -18.691 8.511 627 HD2 ARG 84 2HD ARG 84 5.181 -17.328 10.430 628 HD3 ARG 84 3HD ARG 84 3.503 -16.898 10.103 629 HE ARG 84 HE ARG 84 3.383 -19.571 10.457 630 HH11 ARG 84 1HH1 ARG 84 4.816 -17.068 12.349 631 HH12 ARG 84 2HH1 ARG 84 4.452 -17.852 13.847 632 HH21 ARG 84 1HH2 ARG 84 2.931 -20.555 12.376 633 HH22 ARG 84 2HH2 ARG 84 3.403 -19.805 13.862 634 H ASN 85 H ASN 85 3.189 -15.953 5.085 635 HA ASN 85 HA ASN 85 4.137 -13.276 4.714 636 HB2 ASN 85 2HB ASN 85 2.761 -15.184 2.798 637 HB3 ASN 85 3HB ASN 85 3.506 -13.658 2.329 638 HD21 ASN 85 1HD2 ASN 85 5.703 -13.545 2.153 639 HD22 ASN 85 2HD2 ASN 85 6.742 -14.916 2.278 640 H LYS 86 H LYS 86 0.950 -14.812 4.714 641 HA LYS 86 HA LYS 86 -0.586 -12.674 3.760 642 HB2 LYS 86 2HB LYS 86 -1.381 -15.036 4.063 643 HB3 LYS 86 3HB LYS 86 -1.446 -14.745 5.797 644 HG2 LYS 86 2HG LYS 86 -3.081 -12.919 5.379 645 HG3 LYS 86 3HG LYS 86 -3.070 -13.354 3.670 646 HD2 LYS 86 2HD LYS 86 -4.979 -14.395 4.639 647 HD3 LYS 86 3HD LYS 86 -3.793 -15.669 4.359 648 HE2 LYS 86 2HE LYS 86 -3.162 -15.648 6.698 649 HE3 LYS 86 3HE LYS 86 -4.231 -14.281 7.007 650 HZ1 LYS 86 3HZ LYS 86 -5.069 -17.000 6.165 651 HZ2 LYS 86 1HZ LYS 86 -6.115 -15.690 6.392 652 HZ3 LYS 86 2HZ LYS 86 -5.259 -16.329 7.702 653 H PHE 87 H PHE 87 0.381 -13.516 7.062 654 HA PHE 87 HA PHE 87 -1.048 -11.494 8.410 655 HB2 PHE 87 2HB PHE 87 -0.030 -13.520 9.475 656 HB3 PHE 87 3HB PHE 87 1.557 -12.794 9.248 657 HD1 PHE 87 HD2 PHE 87 -1.717 -12.285 10.924 658 HD2 PHE 87 HD1 PHE 87 2.428 -11.310 10.838 659 HE1 PHE 87 HE2 PHE 87 -1.948 -11.128 13.081 660 HE2 PHE 87 HE1 PHE 87 2.202 -10.152 12.999 661 HZ PHE 87 HZ PHE 87 0.010 -10.060 14.120 662 H ALA 88 H ALA 88 2.413 -11.618 7.500 663 HA ALA 88 HA ALA 88 3.106 -9.005 8.203 664 HB1 ALA 88 3HB ALA 88 4.251 -10.633 5.926 665 HB2 ALA 88 1HB ALA 88 4.736 -10.758 7.618 666 HB3 ALA 88 2HB ALA 88 5.022 -9.264 6.727 667 H PHE 89 H PHE 89 1.670 -10.238 5.225 668 HA PHE 89 HA PHE 89 1.741 -7.812 3.760 669 HB2 PHE 89 2HB PHE 89 1.379 -10.083 2.769 670 HB3 PHE 89 3HB PHE 89 -0.224 -10.106 3.490 671 HD1 PHE 89 HD1 PHE 89 -2.001 -8.657 2.624 672 HD2 PHE 89 HD2 PHE 89 1.856 -8.750 0.820 673 HE1 PHE 89 HE1 PHE 89 -2.915 -7.558 0.630 674 HE2 PHE 89 HE2 PHE 89 0.941 -7.643 -1.180 675 HZ PHE 89 HZ PHE 89 -1.445 -7.054 -1.277 676 H ARG 90 H ARG 90 -0.749 -9.298 5.839 677 HA ARG 90 HA ARG 90 -2.711 -7.322 5.404 678 HB2 ARG 90 2HB ARG 90 -2.378 -9.564 7.284 679 HB3 ARG 90 3HB ARG 90 -3.324 -8.232 7.923 680 HG2 ARG 90 2HG ARG 90 -3.912 -9.987 5.565 681 HG3 ARG 90 3HG ARG 90 -4.902 -9.666 6.986 682 HD2 ARG 90 2HD ARG 90 -4.400 -7.888 4.609 683 HD3 ARG 90 3HD ARG 90 -5.940 -8.462 5.246 684 HE ARG 90 HE ARG 90 -4.633 -6.872 7.168 685 HH11 ARG 90 1HH1 ARG 90 -6.374 -6.588 4.219 686 HH12 ARG 90 2HH1 ARG 90 -6.825 -4.947 4.518 687 HH21 ARG 90 1HH2 ARG 90 -5.160 -4.744 7.516 688 HH22 ARG 90 2HH2 ARG 90 -6.139 -3.905 6.357 689 H GLU 91 H GLU 91 -0.301 -7.636 8.036 690 HA GLU 91 HA GLU 91 -1.154 -5.355 9.449 691 HB2 GLU 91 2HB GLU 91 1.002 -5.401 10.582 692 HB3 GLU 91 3HB GLU 91 0.356 -7.029 10.432 693 HG2 GLU 91 2HG GLU 91 1.878 -7.539 8.650 694 HG3 GLU 91 3HG GLU 91 2.436 -5.869 8.589 695 H ALA 92 H ALA 92 1.236 -5.710 6.846 696 HA ALA 92 HA ALA 92 2.125 -3.064 6.696 697 HB1 ALA 92 3HB ALA 92 2.779 -3.578 4.414 698 HB2 ALA 92 1HB ALA 92 1.717 -4.987 4.398 699 HB3 ALA 92 2HB ALA 92 3.124 -4.953 5.462 700 H VAL 93 H VAL 93 -0.584 -4.613 4.945 701 HA VAL 93 HA VAL 93 -1.556 -2.284 3.682 702 HB VAL 93 HB VAL 93 -3.073 -4.778 4.499 703 HG11 VAL 93 1HG1 VAL 93 -4.720 -4.120 2.783 704 HG12 VAL 93 2HG1 VAL 93 -3.851 -2.606 2.535 705 HG13 VAL 93 3HG1 VAL 93 -4.625 -2.933 4.086 706 HG21 VAL 93 3HG2 VAL 93 -1.179 -5.210 2.996 707 HG22 VAL 93 1HG2 VAL 93 -1.810 -4.019 1.860 708 HG23 VAL 93 2HG2 VAL 93 -2.721 -5.493 2.188 709 H SER 94 H SER 94 -2.212 -3.672 6.861 710 HA SER 94 HA SER 94 -4.367 -2.066 7.633 711 HB2 SER 94 2HB SER 94 -2.170 -3.269 9.343 712 HB3 SER 94 3HB SER 94 -3.637 -2.533 9.985 713 HG SER 94 HG SER 94 -3.623 -4.906 9.668 714 H LYS 95 H LYS 95 -0.913 -1.354 7.585 715 HA LYS 95 HA LYS 95 -1.199 1.222 8.839 716 HB2 LYS 95 2HB LYS 95 1.012 -0.154 7.346 717 HB3 LYS 95 3HB LYS 95 1.103 1.581 7.600 718 HG2 LYS 95 2HG LYS 95 2.350 0.551 9.327 719 HG3 LYS 95 3HG LYS 95 0.861 1.154 10.054 720 HD2 LYS 95 2HD LYS 95 -0.090 -1.091 10.006 721 HD3 LYS 95 3HD LYS 95 1.359 -1.702 9.203 722 HE2 LYS 95 2HE LYS 95 1.181 -0.546 11.986 723 HE3 LYS 95 3HE LYS 95 1.465 -2.231 11.554 724 HZ1 LYS 95 3HZ LYS 95 3.288 0.062 11.065 725 HZ2 LYS 95 1HZ LYS 95 3.547 -1.499 10.457 726 HZ3 LYS 95 2HZ LYS 95 3.536 -1.229 12.126 727 H LEU 96 H LEU 96 -1.014 0.064 5.485 728 HA LEU 96 HA LEU 96 -0.834 2.519 4.176 729 HB2 LEU 96 2HB LEU 96 -0.518 0.337 3.081 730 HB3 LEU 96 3HB LEU 96 -2.232 0.004 3.248 731 HG LEU 96 HG LEU 96 -2.695 1.986 1.775 732 HD11 LEU 96 1HD1 LEU 96 -0.866 2.877 0.416 733 HD12 LEU 96 2HD1 LEU 96 0.292 1.922 1.344 734 HD13 LEU 96 3HD1 LEU 96 -0.624 3.208 2.131 735 HD21 LEU 96 3HD2 LEU 96 -1.001 -0.219 0.591 736 HD22 LEU 96 1HD2 LEU 96 -2.065 0.858 -0.316 737 HD23 LEU 96 2HD2 LEU 96 -2.744 -0.263 0.862 738 H GLU 97 H GLU 97 -3.795 0.644 4.927 739 HA GLU 97 HA GLU 97 -5.634 2.449 3.838 740 HB2 GLU 97 2HB GLU 97 -7.310 1.342 5.330 741 HB3 GLU 97 3HB GLU 97 -6.341 0.228 4.378 742 HG2 GLU 97 2HG GLU 97 -4.923 -0.192 6.339 743 HG3 GLU 97 3HG GLU 97 -5.944 0.879 7.296 744 H LEU 98 H LEU 98 -4.351 2.282 7.155 745 HA LEU 98 HA LEU 98 -5.876 4.403 8.228 746 HB2 LEU 98 2HB LEU 98 -3.141 3.395 9.032 747 HB3 LEU 98 3HB LEU 98 -4.088 4.536 9.967 748 HG LEU 98 HG LEU 98 -4.855 1.675 9.363 749 HD11 LEU 98 1HD1 LEU 98 -3.996 2.981 11.944 750 HD12 LEU 98 2HD1 LEU 98 -3.051 1.840 10.988 751 HD13 LEU 98 3HD1 LEU 98 -4.546 1.315 11.761 752 HD21 LEU 98 3HD2 LEU 98 -6.823 3.123 9.466 753 HD22 LEU 98 1HD2 LEU 98 -6.294 3.743 11.030 754 HD23 LEU 98 2HD2 LEU 98 -6.748 2.047 10.861 755 H SER 99 H SER 99 -2.622 4.378 6.789 756 HA SER 99 HA SER 99 -2.008 7.088 7.164 757 HB2 SER 99 2HB SER 99 -1.078 5.235 4.957 758 HB3 SER 99 3HB SER 99 -0.332 6.775 5.373 759 HG SER 99 HG SER 99 0.146 5.907 7.428 760 H LEU 100 H LEU 100 -3.603 5.475 4.422 761 HA LEU 100 HA LEU 100 -3.774 7.760 2.763 762 HB2 LEU 100 2HB LEU 100 -5.485 5.272 2.842 763 HB3 LEU 100 3HB LEU 100 -5.570 6.487 1.576 764 HG LEU 100 HG LEU 100 -3.119 4.834 2.227 765 HD11 LEU 100 1HD1 LEU 100 -4.892 3.459 1.275 766 HD12 LEU 100 2HD1 LEU 100 -3.573 3.681 0.125 767 HD13 LEU 100 3HD1 LEU 100 -5.071 4.595 -0.063 768 HD21 LEU 100 3HD2 LEU 100 -2.208 5.753 0.162 769 HD22 LEU 100 1HD2 LEU 100 -2.593 7.044 1.300 770 HD23 LEU 100 2HD2 LEU 100 -3.662 6.723 -0.065 771 H GLN 101 H GLN 101 -6.091 6.416 5.134 772 HA GLN 101 HA GLN 101 -8.125 8.325 4.507 773 HB2 GLN 101 2HB GLN 101 -9.302 7.488 6.485 774 HB3 GLN 101 3HB GLN 101 -8.733 6.176 5.461 775 HG2 GLN 101 2HG GLN 101 -6.906 5.735 6.979 776 HG3 GLN 101 3HG GLN 101 -7.358 7.119 7.973 777 HE21 GLN 101 1HE2 GLN 101 -7.612 5.786 9.783 778 HE22 GLN 101 2HE2 GLN 101 -8.979 4.749 9.960 779 H GLU 102 H GLU 102 -5.497 8.289 6.881 780 HA GLU 102 HA GLU 102 -6.457 10.690 8.168 781 HB2 GLU 102 2HB GLU 102 -4.398 10.666 9.449 782 HB3 GLU 102 3HB GLU 102 -5.117 9.065 9.431 783 HG2 GLU 102 2HG GLU 102 -3.513 8.396 7.680 784 HG3 GLU 102 3HG GLU 102 -2.764 9.988 7.790 785 H LEU 103 H LEU 103 -4.275 9.962 5.510 786 HA LEU 103 HA LEU 103 -3.034 12.508 5.343 787 HB2 LEU 103 2HB LEU 103 -2.127 10.547 4.195 788 HB3 LEU 103 3HB LEU 103 -3.544 10.476 3.162 789 HG LEU 103 HG LEU 103 -2.931 12.681 2.195 790 HD11 LEU 103 1HD1 LEU 103 -0.446 12.399 3.887 791 HD12 LEU 103 2HD1 LEU 103 -1.699 13.629 4.052 792 HD13 LEU 103 3HD1 LEU 103 -0.685 13.594 2.610 793 HD21 LEU 103 3HD2 LEU 103 -1.071 11.900 0.849 794 HD22 LEU 103 1HD2 LEU 103 -2.228 10.595 1.107 795 HD23 LEU 103 2HD2 LEU 103 -0.720 10.630 2.022 796 H GLN 104 H GLN 104 -5.836 11.169 3.563 797 HA GLN 104 HA GLN 104 -6.412 13.382 1.979 798 HB2 GLN 104 2HB GLN 104 -8.727 12.494 1.859 799 HB3 GLN 104 3HB GLN 104 -7.503 11.255 1.609 800 HG2 GLN 104 2HG GLN 104 -7.786 10.505 3.918 801 HG3 GLN 104 3HG GLN 104 -9.010 11.747 4.173 802 HE21 GLN 104 1HE2 GLN 104 -8.273 8.745 2.585 803 HE22 GLN 104 2HE2 GLN 104 -9.902 8.319 2.203 804 H VAL 105 H VAL 105 -6.964 12.981 5.390 805 HA VAL 105 HA VAL 105 -8.638 15.403 5.475 806 HB VAL 105 HB VAL 105 -9.209 14.794 7.758 807 HG11 VAL 105 1HG1 VAL 105 -10.419 12.688 7.322 808 HG12 VAL 105 2HG1 VAL 105 -9.471 12.460 5.853 809 HG13 VAL 105 3HG1 VAL 105 -10.571 13.832 5.989 810 HG21 VAL 105 3HG2 VAL 105 -7.092 13.804 8.460 811 HG22 VAL 105 1HG2 VAL 105 -7.360 12.430 7.385 812 HG23 VAL 105 2HG2 VAL 105 -8.426 12.692 8.766 813 H SER 106 H SER 106 -5.409 14.540 5.816 814 HA SER 106 HA SER 106 -4.866 16.914 7.499 815 HB2 SER 106 2HB SER 106 -3.318 14.309 7.557 816 HB3 SER 106 3HB SER 106 -2.957 15.750 8.509 817 HG SER 106 HG SER 106 -4.999 13.866 8.800 818 H SER 107 H SER 107 -4.687 16.075 4.447 819 HA SER 107 HA SER 107 -2.021 16.136 3.627 820 HB2 SER 107 2HB SER 107 -2.879 16.907 1.425 821 HB3 SER 107 3HB SER 107 -3.793 15.548 2.073 822 HG SER 107 HG SER 107 -5.073 17.295 1.175 823 H ALA 108 H ALA 108 -4.259 18.928 3.729 824 HA ALA 108 HA ALA 108 -3.940 21.146 4.091 825 HB1 ALA 108 3HB ALA 108 -2.845 20.372 6.150 826 HB2 ALA 108 1HB ALA 108 -2.131 21.866 5.541 827 HB3 ALA 108 2HB ALA 108 -1.300 20.328 5.302 828 H ALA 109 H ALA 109 -0.586 20.155 3.368 829 HA ALA 109 HA ALA 109 0.159 22.310 1.814 830 HB1 ALA 109 3HB ALA 109 1.079 19.451 1.542 831 HB2 ALA 109 1HB ALA 109 1.699 20.633 2.695 832 HB3 ALA 109 2HB ALA 109 1.941 20.880 0.966 833 H ALA 110 H ALA 110 -1.970 19.754 0.921 834 HA ALA 110 HA ALA 110 -3.284 19.428 -0.903 835 HB1 ALA 110 3HB ALA 110 -1.969 21.879 -2.075 836 HB2 ALA 110 1HB ALA 110 -3.435 21.865 -1.093 837 HB3 ALA 110 2HB ALA 110 -3.425 21.089 -2.677 838 H GLY 111 H GLY 111 -0.044 20.463 -2.088 839 HA2 GLY 111 2HA GLY 111 0.224 17.836 -3.373 840 HA3 GLY 111 3HA GLY 111 0.335 19.262 -4.391 841 H VAL 112 H VAL 112 1.701 18.142 -1.280 842 HA VAL 112 HA VAL 112 4.396 18.697 -2.335 843 HB VAL 112 HB VAL 112 3.446 19.554 0.413 844 HG11 VAL 112 1HG1 VAL 112 5.775 18.848 0.453 845 HG12 VAL 112 2HG1 VAL 112 5.666 20.598 0.629 846 HG13 VAL 112 3HG1 VAL 112 6.140 19.894 -0.918 847 HG21 VAL 112 3HG2 VAL 112 2.575 21.020 -1.345 848 HG22 VAL 112 1HG2 VAL 112 4.206 21.249 -1.974 849 HG23 VAL 112 2HG2 VAL 112 3.784 21.851 -0.370 850 HA PRO 113 HA PRO 113 5.086 14.702 -0.352 851 HB2 PRO 113 2HB PRO 113 7.579 14.271 -1.234 852 HB3 PRO 113 3HB PRO 113 6.198 14.225 -2.337 853 HG2 PRO 113 2HG PRO 113 8.187 16.425 -1.882 854 HG3 PRO 113 3HG PRO 113 7.518 15.816 -3.409 855 HD2 PRO 113 2HD PRO 113 6.605 18.071 -2.105 856 HD3 PRO 113 3HD PRO 113 5.637 17.110 -3.237 857 H GLY 114 H GLY 114 6.177 13.916 1.498 858 HA2 GLY 114 2HA GLY 114 7.649 13.895 3.285 859 HA3 GLY 114 3HA GLY 114 8.455 15.291 2.600 860 H THR 115 H THR 115 6.177 17.046 2.555 861 HA THR 115 HA THR 115 6.431 18.434 4.873 862 HB THR 115 HB THR 115 5.290 19.403 2.980 863 HG1 THR 115 HG1 THR 115 3.181 19.486 4.799 864 HG21 THR 115 3HG2 THR 115 4.064 17.410 2.229 865 HG22 THR 115 1HG2 THR 115 2.998 18.806 2.386 866 HG23 THR 115 2HG2 THR 115 2.993 17.551 3.623 867 H ASN 116 H ASN 116 4.100 15.790 4.396 868 HA ASN 116 HA ASN 116 3.341 16.027 7.241 869 HB2 ASN 116 2HB ASN 116 1.912 14.568 4.998 870 HB3 ASN 116 3HB ASN 116 1.384 14.614 6.674 871 HD21 ASN 116 1HD2 ASN 116 1.522 16.295 3.693 872 HD22 ASN 116 2HD2 ASN 116 0.592 17.666 4.174 873 HA PRO 117 HA PRO 117 5.837 12.380 8.103 874 HB2 PRO 117 2HB PRO 117 4.334 11.567 10.320 875 HB3 PRO 117 3HB PRO 117 5.700 12.686 10.359 876 HG2 PRO 117 2HG PRO 117 2.768 13.272 10.306 877 HG3 PRO 117 3HG PRO 117 4.061 14.092 11.202 878 HD2 PRO 117 2HD PRO 117 3.017 15.176 8.987 879 HD3 PRO 117 3HD PRO 117 4.758 15.299 9.328 880 H VAL 118 H VAL 118 2.334 12.352 7.859 881 HA VAL 118 HA VAL 118 1.771 9.644 7.652 882 HB VAL 118 HB VAL 118 0.510 11.839 5.985 883 HG11 VAL 118 1HG1 VAL 118 -0.097 9.597 5.237 884 HG12 VAL 118 2HG1 VAL 118 -1.474 10.392 5.998 885 HG13 VAL 118 3HG1 VAL 118 -0.570 9.161 6.881 886 HG21 VAL 118 3HG2 VAL 118 0.498 12.464 8.341 887 HG22 VAL 118 1HG2 VAL 118 -0.198 10.902 8.771 888 HG23 VAL 118 2HG2 VAL 118 -1.132 12.048 7.810 889 H LEU 119 H LEU 119 3.082 11.834 5.220 890 HA LEU 119 HA LEU 119 2.934 10.092 2.991 891 HB2 LEU 119 2HB LEU 119 4.845 12.376 3.533 892 HB3 LEU 119 3HB LEU 119 4.597 11.616 1.972 893 HG LEU 119 HG LEU 119 2.457 13.099 3.511 894 HD11 LEU 119 1HD1 LEU 119 4.180 14.640 2.777 895 HD12 LEU 119 2HD1 LEU 119 2.719 14.851 1.812 896 HD13 LEU 119 3HD1 LEU 119 4.102 13.984 1.143 897 HD21 LEU 119 3HD2 LEU 119 1.554 11.362 2.064 898 HD22 LEU 119 1HD2 LEU 119 2.485 11.986 0.704 899 HD23 LEU 119 2HD2 LEU 119 1.195 12.960 1.410 900 H ASN 120 H ASN 120 5.451 10.682 5.410 901 HA ASN 120 HA ASN 120 7.414 8.937 4.378 902 HB2 ASN 120 2HB ASN 120 6.909 9.531 7.307 903 HB3 ASN 120 3HB ASN 120 8.427 9.019 6.575 904 HD21 ASN 120 1HD2 ASN 120 7.933 11.359 8.162 905 HD22 ASN 120 2HD2 ASN 120 8.315 12.724 7.176 906 H ASN 121 H ASN 121 4.652 8.415 6.510 907 HA ASN 121 HA ASN 121 5.118 5.691 7.094 908 HB2 ASN 121 2HB ASN 121 2.475 7.165 6.932 909 HB3 ASN 121 3HB ASN 121 2.730 5.599 7.700 910 HD21 ASN 121 1HD2 ASN 121 1.747 8.049 8.878 911 HD22 ASN 121 2HD2 ASN 121 2.842 8.459 10.150 912 H LEU 122 H LEU 122 3.125 7.227 4.547 913 HA LEU 122 HA LEU 122 2.200 4.932 3.285 914 HB2 LEU 122 2HB LEU 122 2.861 7.664 2.223 915 HB3 LEU 122 3HB LEU 122 2.286 6.399 1.154 916 HG LEU 122 HG LEU 122 0.788 7.527 3.528 917 HD11 LEU 122 1HD1 LEU 122 -0.762 8.393 1.852 918 HD12 LEU 122 2HD1 LEU 122 0.265 7.769 0.560 919 HD13 LEU 122 3HD1 LEU 122 0.856 9.056 1.617 920 HD21 LEU 122 3HD2 LEU 122 -0.025 5.415 1.530 921 HD22 LEU 122 1HD2 LEU 122 -1.067 6.122 2.766 922 HD23 LEU 122 2HD2 LEU 122 0.328 5.153 3.239 923 H LEU 123 H LEU 123 5.193 6.740 2.539 924 HA LEU 123 HA LEU 123 6.188 5.125 0.517 925 HB2 LEU 123 2HB LEU 123 7.182 7.273 1.253 926 HB3 LEU 123 3HB LEU 123 7.781 6.485 2.699 927 HG LEU 123 HG LEU 123 9.217 5.034 1.311 928 HD11 LEU 123 1HD1 LEU 123 8.232 6.705 -1.006 929 HD12 LEU 123 2HD1 LEU 123 7.871 5.001 -0.727 930 HD13 LEU 123 3HD1 LEU 123 9.525 5.505 -1.065 931 HD21 LEU 123 3HD2 LEU 123 9.568 7.993 0.815 932 HD22 LEU 123 1HD2 LEU 123 10.823 6.766 0.633 933 HD23 LEU 123 2HD2 LEU 123 10.134 7.092 2.222 934 H SER 124 H SER 124 6.849 4.817 4.016 935 HA SER 124 HA SER 124 8.333 2.440 3.924 936 HB2 SER 124 2HB SER 124 8.273 3.811 5.932 937 HB3 SER 124 3HB SER 124 6.547 3.516 6.123 938 HG SER 124 HG SER 124 8.700 1.696 6.444 939 H CYS 125 H CYS 125 4.822 2.901 4.264 940 HA CYS 125 HA CYS 125 4.153 0.202 4.745 941 HB2 CYS 125 2HB CYS 125 2.465 2.413 3.543 942 HB3 CYS 125 3HB CYS 125 1.842 0.878 4.144 943 HG CYS 125 HG CYS 125 1.548 3.306 5.840 944 H VAL 126 H VAL 126 4.156 2.079 1.711 945 HA VAL 126 HA VAL 126 3.200 0.027 0.037 946 HB VAL 126 HB VAL 126 4.992 2.369 -0.652 947 HG11 VAL 126 1HG1 VAL 126 5.110 0.642 -2.386 948 HG12 VAL 126 2HG1 VAL 126 4.232 2.058 -2.965 949 HG13 VAL 126 3HG1 VAL 126 3.349 0.609 -2.483 950 HG21 VAL 126 3HG2 VAL 126 1.990 2.047 -0.835 951 HG22 VAL 126 1HG2 VAL 126 2.909 3.444 -1.399 952 HG23 VAL 126 2HG2 VAL 126 2.861 3.056 0.320 953 H GLN 127 H GLN 127 6.541 1.004 0.807 954 HA GLN 127 HA GLN 127 7.777 -0.972 -0.825 955 HB2 GLN 127 2HB GLN 127 8.900 0.514 1.566 956 HB3 GLN 127 3HB GLN 127 9.841 -0.382 0.379 957 HG2 GLN 127 2HG GLN 127 9.080 1.157 -1.377 958 HG3 GLN 127 3HG GLN 127 8.153 2.058 -0.181 959 HE21 GLN 127 1HE2 GLN 127 10.240 3.029 -1.889 960 HE22 GLN 127 2HE2 GLN 127 11.486 3.638 -0.860 961 H GLU 128 H GLU 128 6.633 -0.966 2.504 962 HA GLU 128 HA GLU 128 7.704 -3.469 3.297 963 HB2 GLU 128 2HB GLU 128 6.783 -1.935 4.932 964 HB3 GLU 128 3HB GLU 128 5.208 -1.987 4.162 965 HG2 GLU 128 2HG GLU 128 4.899 -3.342 5.992 966 HG3 GLU 128 3HG GLU 128 5.269 -4.516 4.734 967 H ILE 129 H ILE 129 4.437 -2.651 2.063 968 HA ILE 129 HA ILE 129 3.353 -5.204 1.953 969 HB ILE 129 HB ILE 129 2.831 -2.886 0.070 970 HG12 ILE 129 2HG1 ILE 129 1.338 -3.788 2.553 971 HG13 ILE 129 3HG1 ILE 129 2.413 -2.399 2.464 972 HG21 ILE 129 1HG2 ILE 129 2.050 -4.972 -0.925 973 HG22 ILE 129 2HG2 ILE 129 0.684 -3.980 -0.423 974 HG23 ILE 129 3HG2 ILE 129 1.168 -5.368 0.552 975 HD11 ILE 129 3HD1 ILE 129 -0.158 -2.737 0.939 976 HD12 ILE 129 1HD1 ILE 129 0.916 -1.340 0.858 977 HD13 ILE 129 2HD1 ILE 129 0.085 -1.730 2.366 978 H SER 130 H SER 130 4.887 -3.453 -0.752 979 HA SER 130 HA SER 130 4.762 -5.505 -2.645 980 HB2 SER 130 2HB SER 130 6.597 -4.272 -3.817 981 HB3 SER 130 3HB SER 130 5.266 -3.229 -3.317 982 HG SER 130 HG SER 130 6.522 -2.287 -1.855 983 H ASP 131 H ASP 131 7.330 -4.752 -0.303 984 HA ASP 131 HA ASP 131 9.176 -6.691 -1.178 985 HB2 ASP 131 2HB ASP 131 9.754 -4.803 0.288 986 HB3 ASP 131 3HB ASP 131 8.826 -5.531 1.595 987 H VAL 132 H VAL 132 6.564 -6.895 1.240 988 HA VAL 132 HA VAL 132 7.091 -9.466 2.223 989 HB VAL 132 HB VAL 132 4.373 -8.177 1.823 990 HG11 VAL 132 1HG1 VAL 132 5.172 -10.509 3.571 991 HG12 VAL 132 2HG1 VAL 132 4.150 -10.577 2.135 992 HG13 VAL 132 3HG1 VAL 132 3.594 -9.722 3.573 993 HG21 VAL 132 3HG2 VAL 132 6.167 -8.231 4.258 994 HG22 VAL 132 1HG2 VAL 132 4.557 -7.516 4.171 995 HG23 VAL 132 2HG2 VAL 132 5.878 -6.834 3.223 996 H VAL 133 H VAL 133 5.308 -8.459 -0.660 997 HA VAL 133 HA VAL 133 4.400 -11.034 -1.444 998 HB VAL 133 HB VAL 133 4.971 -8.689 -3.278 999 HG11 VAL 133 1HG1 VAL 133 3.143 -9.633 -4.638 1000 HG12 VAL 133 2HG1 VAL 133 3.027 -10.995 -3.522 1001 HG13 VAL 133 3HG1 VAL 133 4.495 -10.754 -4.471 1002 HG21 VAL 133 3HG2 VAL 133 2.652 -7.984 -2.887 1003 HG22 VAL 133 1HG2 VAL 133 3.607 -7.930 -1.405 1004 HG23 VAL 133 2HG2 VAL 133 2.472 -9.252 -1.674 1005 H GLN 134 H GLN 134 7.503 -9.654 -1.478 1006 HA GLN 134 HA GLN 134 8.475 -11.435 -3.608 1007 HB2 GLN 134 2HB GLN 134 9.916 -9.157 -2.225 1008 HB3 GLN 134 3HB GLN 134 10.481 -10.055 -3.629 1009 HG2 GLN 134 2HG GLN 134 8.588 -9.205 -4.934 1010 HG3 GLN 134 3HG GLN 134 8.039 -8.291 -3.528 1011 HE21 GLN 134 1HE2 GLN 134 8.882 -7.398 -6.196 1012 HE22 GLN 134 2HE2 GLN 134 10.134 -6.244 -5.912 1013 H ARG 135 H ARG 135 8.050 -11.654 -0.364 1014 HA ARG 135 HA ARG 135 10.674 -12.714 0.340 1015 HB2 ARG 135 2HB ARG 135 8.136 -12.489 1.977 1016 HB3 ARG 135 3HB ARG 135 9.694 -13.031 2.596 1017 HG2 ARG 135 2HG ARG 135 10.676 -10.866 2.076 1018 HG3 ARG 135 3HG ARG 135 9.137 -10.320 1.410 1019 HD2 ARG 135 2HD ARG 135 8.116 -10.690 3.665 1020 HD3 ARG 135 3HD ARG 135 9.737 -11.027 4.283 1021 HE ARG 135 HE ARG 135 9.994 -8.624 3.047 1022 HH11 ARG 135 1HH1 ARG 135 7.985 -9.810 5.586 1023 HH12 ARG 135 2HH1 ARG 135 7.732 -8.238 6.254 1024 HH21 ARG 135 1HH2 ARG 135 9.661 -6.643 3.892 1025 HH22 ARG 135 2HH2 ARG 135 8.651 -6.449 5.287 Start of MODEL 4 1 H1 MET 1 1H MET 1 -7.813 34.797 -33.217 2 H2 MET 1 2H MET 1 -8.688 33.345 -33.207 3 H3 MET 1 3H MET 1 -7.007 33.317 -33.359 4 HA MET 1 HA MET 1 -7.731 32.693 -31.135 5 HB2 MET 1 2HB MET 1 -5.528 33.718 -31.484 6 HB3 MET 1 3HB MET 1 -6.230 35.320 -31.314 7 HG2 MET 1 2HG MET 1 -6.756 34.889 -28.997 8 HG3 MET 1 3HG MET 1 -6.202 33.222 -29.150 9 HE1 MET 1 3HE MET 1 -3.380 36.867 -29.516 10 HE2 MET 1 1HE MET 1 -5.115 37.012 -29.231 11 HE3 MET 1 2HE MET 1 -4.523 36.393 -30.772 12 H GLY 2 H GLY 2 -9.119 32.983 -29.467 13 HA2 GLY 2 2HA GLY 2 -10.237 35.494 -28.708 14 HA3 GLY 2 3HA GLY 2 -11.378 34.583 -29.686 15 H HIS 3 H HIS 3 -11.480 35.402 -26.833 16 HA HIS 3 HA HIS 3 -12.508 33.016 -25.694 17 HB2 HIS 3 2HB HIS 3 -10.109 32.471 -25.479 18 HB3 HIS 3 3HB HIS 3 -9.851 33.952 -24.566 19 HD1 HIS 3 HD1 HIS 3 -10.994 30.454 -24.225 20 HD2 HIS 3 HD2 HIS 3 -10.922 33.904 -21.913 21 HE1 HIS 3 HE1 HIS 3 -11.457 29.699 -21.877 22 HE2 HIS 3 HE2 HIS 3 -11.553 31.819 -20.524 23 H HIS 4 H HIS 4 -14.287 34.202 -25.067 24 HA HIS 4 HA HIS 4 -13.861 36.016 -22.788 25 HB2 HIS 4 2HB HIS 4 -15.636 36.592 -25.169 26 HB3 HIS 4 3HB HIS 4 -15.730 37.475 -23.650 27 HD1 HIS 4 HD1 HIS 4 -13.694 37.141 -26.748 28 HD2 HIS 4 HD2 HIS 4 -13.549 39.215 -23.147 29 HE1 HIS 4 HE1 HIS 4 -11.963 38.926 -27.067 30 HE2 HIS 4 HE2 HIS 4 -11.717 39.987 -24.805 31 H HIS 5 H HIS 5 -16.737 34.841 -24.597 32 HA HIS 5 HA HIS 5 -18.339 34.598 -22.307 33 HB2 HIS 5 2HB HIS 5 -19.960 33.522 -23.678 34 HB3 HIS 5 3HB HIS 5 -19.136 34.684 -24.707 35 HD1 HIS 5 HD1 HIS 5 -19.919 31.108 -24.380 36 HD2 HIS 5 HD2 HIS 5 -17.340 33.464 -26.632 37 HE1 HIS 5 HE1 HIS 5 -19.126 29.638 -26.246 38 HE2 HIS 5 HE2 HIS 5 -17.743 31.142 -27.704 39 H HIS 6 H HIS 6 -18.974 32.849 -21.015 40 HA HIS 6 HA HIS 6 -17.730 30.251 -21.398 41 HB2 HIS 6 2HB HIS 6 -16.783 30.220 -19.074 42 HB3 HIS 6 3HB HIS 6 -15.961 31.311 -20.180 43 HD1 HIS 6 HD1 HIS 6 -17.679 31.209 -16.947 44 HD2 HIS 6 HD2 HIS 6 -16.571 34.111 -19.703 45 HE1 HIS 6 HE1 HIS 6 -17.788 33.386 -15.710 46 HE2 HIS 6 HE2 HIS 6 -16.920 35.091 -17.341 47 H HIS 7 H HIS 7 -18.508 28.613 -19.886 48 HA HIS 7 HA HIS 7 -21.355 28.783 -19.743 49 HB2 HIS 7 2HB HIS 7 -21.300 26.463 -19.096 50 HB3 HIS 7 3HB HIS 7 -20.100 26.710 -20.358 51 HD1 HIS 7 HD1 HIS 7 -17.662 26.217 -19.765 52 HD2 HIS 7 HD2 HIS 7 -20.216 25.951 -16.499 53 HE1 HIS 7 HE1 HIS 7 -16.295 25.204 -17.926 54 HE2 HIS 7 HE2 HIS 7 -17.909 24.879 -16.031 55 H HIS 8 H HIS 8 -22.575 27.966 -17.819 56 HA HIS 8 HA HIS 8 -21.385 28.792 -15.240 57 HB2 HIS 8 2HB HIS 8 -24.211 29.165 -16.249 58 HB3 HIS 8 3HB HIS 8 -23.811 29.236 -14.535 59 HD1 HIS 8 HD1 HIS 8 -23.178 31.470 -13.683 60 HD2 HIS 8 HD2 HIS 8 -22.679 31.200 -17.797 61 HE1 HIS 8 HE1 HIS 8 -22.505 33.766 -14.428 62 HE2 HIS 8 HE2 HIS 8 -22.035 33.535 -16.883 63 H SER 9 H SER 9 -21.070 27.114 -13.930 64 HA SER 9 HA SER 9 -22.353 24.565 -14.568 65 HB2 SER 9 2HB SER 9 -20.627 23.616 -13.010 66 HB3 SER 9 3HB SER 9 -19.950 24.496 -14.381 67 HG SER 9 HG SER 9 -19.679 24.976 -11.730 68 H HIS 10 H HIS 10 -23.375 23.245 -13.067 69 HA HIS 10 HA HIS 10 -23.670 23.926 -10.316 70 HB2 HIS 10 2HB HIS 10 -26.134 24.212 -10.290 71 HB3 HIS 10 3HB HIS 10 -25.316 25.514 -11.141 72 HD1 HIS 10 HD1 HIS 10 -27.689 22.688 -11.646 73 HD2 HIS 10 HD2 HIS 10 -25.848 25.641 -13.914 74 HE1 HIS 10 HE1 HIS 10 -28.921 22.721 -13.829 75 HE2 HIS 10 HE2 HIS 10 -27.922 24.645 -15.094 76 H MET 11 H MET 11 -23.719 22.032 -9.279 77 HA MET 11 HA MET 11 -24.020 19.622 -10.883 78 HB2 MET 11 2HB MET 11 -23.138 19.950 -8.006 79 HB3 MET 11 3HB MET 11 -23.035 18.471 -8.952 80 HG2 MET 11 2HG MET 11 -21.559 21.044 -9.489 81 HG3 MET 11 3HG MET 11 -20.876 19.555 -8.832 82 HE1 MET 11 3HE MET 11 -18.970 19.596 -10.684 83 HE2 MET 11 1HE MET 11 -19.645 21.089 -11.340 84 HE3 MET 11 2HE MET 11 -19.292 19.735 -12.413 85 H ALA 12 H ALA 12 -25.905 18.584 -11.024 86 HA ALA 12 HA ALA 12 -27.761 18.622 -8.725 87 HB1 ALA 12 3HB ALA 12 -29.507 17.950 -10.292 88 HB2 ALA 12 1HB ALA 12 -28.322 17.857 -11.597 89 HB3 ALA 12 2HB ALA 12 -28.700 19.412 -10.857 90 H ASN 13 H ASN 13 -26.532 17.040 -7.558 91 HA ASN 13 HA ASN 13 -26.161 14.404 -8.762 92 HB2 ASN 13 2HB ASN 13 -25.247 15.620 -6.151 93 HB3 ASN 13 3HB ASN 13 -24.999 13.923 -6.546 94 HD21 ASN 13 1HD2 ASN 13 -24.833 16.451 -8.960 95 HD22 ASN 13 2HD2 ASN 13 -23.132 16.342 -9.214 96 H GLY 14 H GLY 14 -26.797 12.444 -7.639 97 HA2 GLY 14 2HA GLY 14 -28.477 12.196 -5.460 98 HA3 GLY 14 3HA GLY 14 -29.541 12.508 -6.823 99 H ALA 15 H ALA 15 -26.981 10.326 -5.676 100 HA ALA 15 HA ALA 15 -28.392 7.990 -6.534 101 HB1 ALA 15 3HB ALA 15 -26.830 7.194 -8.225 102 HB2 ALA 15 1HB ALA 15 -25.886 8.677 -8.078 103 HB3 ALA 15 2HB ALA 15 -27.528 8.737 -8.717 104 H ALA 16 H ALA 16 -27.965 6.636 -4.890 105 HA ALA 16 HA ALA 16 -25.269 5.899 -4.211 106 HB1 ALA 16 3HB ALA 16 -25.487 7.989 -2.929 107 HB2 ALA 16 1HB ALA 16 -25.300 6.585 -1.879 108 HB3 ALA 16 2HB ALA 16 -26.889 7.320 -2.095 109 H GLY 17 H GLY 17 -25.144 4.099 -2.740 110 HA2 GLY 17 2HA GLY 17 -25.946 2.258 -1.575 111 HA3 GLY 17 3HA GLY 17 -27.579 2.851 -1.793 112 H THR 18 H THR 18 -25.748 2.620 -4.695 113 HA THR 18 HA THR 18 -27.203 0.128 -5.376 114 HB THR 18 HB THR 18 -26.509 2.388 -7.274 115 HG1 THR 18 HG1 THR 18 -29.113 2.011 -7.150 116 HG21 THR 18 3HG2 THR 18 -27.930 1.167 -8.878 117 HG22 THR 18 1HG2 THR 18 -28.120 -0.139 -7.706 118 HG23 THR 18 2HG2 THR 18 -26.533 0.205 -8.394 119 H LYS 19 H LYS 19 -24.168 1.881 -5.631 120 HA LYS 19 HA LYS 19 -22.813 0.162 -7.388 121 HB2 LYS 19 2HB LYS 19 -20.762 1.127 -6.590 122 HB3 LYS 19 3HB LYS 19 -21.974 2.391 -6.679 123 HG2 LYS 19 2HG LYS 19 -21.289 0.976 -4.115 124 HG3 LYS 19 3HG LYS 19 -20.443 2.417 -4.666 125 HD2 LYS 19 2HD LYS 19 -22.652 3.597 -4.711 126 HD3 LYS 19 3HD LYS 19 -23.372 2.162 -3.973 127 HE2 LYS 19 2HE LYS 19 -22.870 3.823 -2.269 128 HE3 LYS 19 3HE LYS 19 -21.844 2.407 -2.052 129 HZ1 LYS 19 3HZ LYS 19 -20.045 3.602 -3.155 130 HZ2 LYS 19 1HZ LYS 19 -20.584 4.443 -1.793 131 HZ3 LYS 19 2HZ LYS 19 -21.032 4.960 -3.338 132 H VAL 20 H VAL 20 -23.837 -0.416 -4.177 133 HA VAL 20 HA VAL 20 -22.188 -2.872 -4.079 134 HB VAL 20 HB VAL 20 -23.413 -1.529 -1.656 135 HG11 VAL 20 1HG1 VAL 20 -21.762 -2.865 -0.406 136 HG12 VAL 20 2HG1 VAL 20 -21.220 -3.596 -1.918 137 HG13 VAL 20 3HG1 VAL 20 -22.862 -3.878 -1.341 138 HG21 VAL 20 3HG2 VAL 20 -20.604 -1.175 -2.716 139 HG22 VAL 20 1HG2 VAL 20 -21.189 -0.606 -1.153 140 HG23 VAL 20 2HG2 VAL 20 -21.861 0.062 -2.640 141 H ALA 21 H ALA 21 -24.936 -2.253 -5.270 142 HA ALA 21 HA ALA 21 -26.909 -3.528 -3.668 143 HB1 ALA 21 3HB ALA 21 -27.515 -1.949 -5.416 144 HB2 ALA 21 1HB ALA 21 -28.298 -3.506 -5.688 145 HB3 ALA 21 2HB ALA 21 -26.890 -3.045 -6.649 146 H LEU 22 H LEU 22 -25.923 -4.755 -6.883 147 HA LEU 22 HA LEU 22 -26.340 -7.481 -6.016 148 HB2 LEU 22 2HB LEU 22 -25.228 -6.395 -8.609 149 HB3 LEU 22 3HB LEU 22 -25.628 -8.077 -8.313 150 HG LEU 22 HG LEU 22 -27.571 -5.760 -8.391 151 HD11 LEU 22 1HD1 LEU 22 -28.452 -6.845 -10.381 152 HD12 LEU 22 2HD1 LEU 22 -27.226 -8.107 -10.256 153 HD13 LEU 22 3HD1 LEU 22 -26.748 -6.442 -10.588 154 HD21 LEU 22 3HD2 LEU 22 -29.328 -7.448 -8.134 155 HD22 LEU 22 1HD2 LEU 22 -28.272 -7.394 -6.723 156 HD23 LEU 22 2HD2 LEU 22 -28.102 -8.695 -7.902 157 H ARG 23 H ARG 23 -23.787 -5.323 -5.820 158 HA ARG 23 HA ARG 23 -21.616 -7.211 -6.027 159 HB2 ARG 23 2HB ARG 23 -21.377 -4.794 -6.581 160 HB3 ARG 23 3HB ARG 23 -21.648 -4.399 -4.892 161 HG2 ARG 23 2HG ARG 23 -19.596 -5.583 -4.276 162 HG3 ARG 23 3HG ARG 23 -19.328 -6.007 -5.969 163 HD2 ARG 23 2HD ARG 23 -19.142 -3.643 -6.547 164 HD3 ARG 23 3HD ARG 23 -19.480 -3.191 -4.876 165 HE ARG 23 HE ARG 23 -17.258 -4.865 -4.854 166 HH11 ARG 23 1HH1 ARG 23 -18.110 -1.776 -6.117 167 HH12 ARG 23 2HH1 ARG 23 -16.512 -1.142 -5.962 168 HH21 ARG 23 1HH2 ARG 23 -15.206 -4.056 -4.660 169 HH22 ARG 23 2HH2 ARG 23 -14.881 -2.425 -5.145 170 H LYS 24 H LYS 24 -23.103 -8.534 -4.402 171 HA LYS 24 HA LYS 24 -22.654 -7.912 -1.597 172 HB2 LYS 24 2HB LYS 24 -23.922 -10.290 -2.981 173 HB3 LYS 24 3HB LYS 24 -23.793 -10.135 -1.237 174 HG2 LYS 24 2HG LYS 24 -25.264 -8.183 -3.006 175 HG3 LYS 24 3HG LYS 24 -26.022 -9.541 -2.169 176 HD2 LYS 24 2HD LYS 24 -25.072 -8.567 -0.019 177 HD3 LYS 24 3HD LYS 24 -24.687 -7.121 -0.956 178 HE2 LYS 24 2HE LYS 24 -27.442 -8.325 -0.652 179 HE3 LYS 24 3HE LYS 24 -26.833 -6.943 0.254 180 HZ1 LYS 24 3HZ LYS 24 -28.213 -6.297 -1.635 181 HZ2 LYS 24 1HZ LYS 24 -27.129 -7.036 -2.700 182 HZ3 LYS 24 2HZ LYS 24 -26.641 -5.704 -1.781 183 H THR 25 H THR 25 -21.984 -10.809 -3.546 184 HA THR 25 HA THR 25 -19.335 -11.078 -2.284 185 HB THR 25 HB THR 25 -20.777 -12.574 -1.015 186 HG1 THR 25 HG1 THR 25 -18.857 -13.573 -1.243 187 HG21 THR 25 3HG2 THR 25 -22.583 -12.851 -2.645 188 HG22 THR 25 1HG2 THR 25 -21.992 -14.417 -2.086 189 HG23 THR 25 2HG2 THR 25 -21.518 -13.811 -3.673 190 H LYS 26 H LYS 26 -18.300 -13.235 -3.494 191 HA LYS 26 HA LYS 26 -17.798 -12.376 -6.129 192 HB2 LYS 26 2HB LYS 26 -17.366 -15.206 -5.179 193 HB3 LYS 26 3HB LYS 26 -16.489 -14.346 -6.432 194 HG2 LYS 26 2HG LYS 26 -15.677 -12.784 -4.596 195 HG3 LYS 26 3HG LYS 26 -16.322 -13.964 -3.453 196 HD2 LYS 26 2HD LYS 26 -14.150 -14.398 -5.512 197 HD3 LYS 26 3HD LYS 26 -13.977 -14.402 -3.757 198 HE2 LYS 26 2HE LYS 26 -15.581 -16.403 -5.362 199 HE3 LYS 26 3HE LYS 26 -13.960 -16.672 -4.728 200 HZ1 LYS 26 3HZ LYS 26 -14.776 -16.518 -2.511 201 HZ2 LYS 26 1HZ LYS 26 -15.747 -17.621 -3.344 202 HZ3 LYS 26 2HZ LYS 26 -16.316 -16.063 -3.037 203 H GLN 27 H GLN 27 -18.552 -13.023 -8.109 204 HA GLN 27 HA GLN 27 -21.156 -14.348 -8.103 205 HB2 GLN 27 2HB GLN 27 -21.349 -13.447 -10.424 206 HB3 GLN 27 3HB GLN 27 -21.122 -12.214 -9.194 207 HG2 GLN 27 2HG GLN 27 -18.735 -12.080 -9.798 208 HG3 GLN 27 3HG GLN 27 -19.005 -13.272 -11.067 209 HE21 GLN 27 1HE2 GLN 27 -20.210 -12.672 -12.893 210 HE22 GLN 27 2HE2 GLN 27 -20.481 -11.017 -13.297 211 H ALA 28 H ALA 28 -18.181 -14.516 -10.086 212 HA ALA 28 HA ALA 28 -18.150 -17.360 -10.165 213 HB1 ALA 28 3HB ALA 28 -19.017 -15.980 -12.714 214 HB2 ALA 28 1HB ALA 28 -20.039 -16.999 -11.702 215 HB3 ALA 28 2HB ALA 28 -18.650 -17.697 -12.536 216 H ALA 29 H ALA 29 -16.190 -18.137 -10.980 217 HA ALA 29 HA ALA 29 -13.960 -16.518 -10.846 218 HB1 ALA 29 3HB ALA 29 -13.897 -18.954 -10.666 219 HB2 ALA 29 1HB ALA 29 -12.706 -18.363 -11.825 220 HB3 ALA 29 2HB ALA 29 -14.207 -19.095 -12.396 221 H GLU 30 H GLU 30 -16.048 -16.967 -13.568 222 HA GLU 30 HA GLU 30 -14.488 -16.187 -15.726 223 HB2 GLU 30 2HB GLU 30 -17.403 -15.613 -15.140 224 HB3 GLU 30 3HB GLU 30 -16.648 -15.351 -16.705 225 HG2 GLU 30 2HG GLU 30 -16.704 -18.039 -15.350 226 HG3 GLU 30 3HG GLU 30 -17.978 -17.478 -16.431 227 H LYS 31 H LYS 31 -16.027 -14.149 -13.259 228 HA LYS 31 HA LYS 31 -14.989 -11.749 -14.651 229 HB2 LYS 31 2HB LYS 31 -17.490 -12.181 -14.803 230 HB3 LYS 31 3HB LYS 31 -17.561 -11.870 -13.075 231 HG2 LYS 31 2HG LYS 31 -18.200 -9.881 -14.247 232 HG3 LYS 31 3HG LYS 31 -16.632 -9.606 -13.484 233 HD2 LYS 31 2HD LYS 31 -15.512 -10.016 -15.628 234 HD3 LYS 31 3HD LYS 31 -17.073 -10.318 -16.394 235 HE2 LYS 31 2HE LYS 31 -16.312 -8.060 -16.876 236 HE3 LYS 31 3HE LYS 31 -17.762 -8.016 -15.874 237 HZ1 LYS 31 3HZ LYS 31 -14.970 -7.633 -14.937 238 HZ2 LYS 31 1HZ LYS 31 -16.332 -7.657 -13.935 239 HZ3 LYS 31 2HZ LYS 31 -16.149 -6.434 -15.084 240 H ILE 32 H ILE 32 -14.510 -13.481 -11.902 241 HA ILE 32 HA ILE 32 -14.571 -11.456 -9.891 242 HB ILE 32 HB ILE 32 -12.941 -14.012 -9.925 243 HG12 ILE 32 2HG1 ILE 32 -15.614 -13.432 -8.607 244 HG13 ILE 32 3HG1 ILE 32 -15.400 -14.364 -10.085 245 HG21 ILE 32 1HG2 ILE 32 -12.050 -12.393 -8.327 246 HG22 ILE 32 2HG2 ILE 32 -12.830 -13.727 -7.479 247 HG23 ILE 32 3HG2 ILE 32 -13.655 -12.175 -7.630 248 HD11 ILE 32 3HD1 ILE 32 -15.711 -15.809 -8.164 249 HD12 ILE 32 1HD1 ILE 32 -14.310 -15.086 -7.376 250 HD13 ILE 32 2HD1 ILE 32 -14.104 -16.025 -8.856 251 H SER 33 H SER 33 -13.428 -9.606 -10.333 252 HA SER 33 HA SER 33 -10.969 -9.333 -11.580 253 HB2 SER 33 2HB SER 33 -12.026 -7.654 -9.283 254 HB3 SER 33 3HB SER 33 -10.752 -7.175 -10.405 255 HG SER 33 HG SER 33 -12.614 -6.290 -11.173 256 H ALA 34 H ALA 34 -11.616 -10.092 -8.183 257 HA ALA 34 HA ALA 34 -9.024 -9.903 -7.157 258 HB1 ALA 34 3HB ALA 34 -9.783 -11.365 -5.365 259 HB2 ALA 34 1HB ALA 34 -11.185 -11.839 -6.327 260 HB3 ALA 34 2HB ALA 34 -11.023 -10.175 -5.765 261 H ASP 35 H ASP 35 -10.462 -12.400 -9.141 262 HA ASP 35 HA ASP 35 -8.423 -14.367 -8.678 263 HB2 ASP 35 2HB ASP 35 -10.743 -14.911 -9.444 264 HB3 ASP 35 3HB ASP 35 -10.376 -14.155 -10.989 265 H LYS 36 H LYS 36 -8.900 -11.704 -10.897 266 HA LYS 36 HA LYS 36 -6.741 -12.345 -12.662 267 HB2 LYS 36 2HB LYS 36 -8.603 -10.904 -13.359 268 HB3 LYS 36 3HB LYS 36 -8.159 -9.709 -12.152 269 HG2 LYS 36 2HG LYS 36 -6.193 -10.504 -14.272 270 HG3 LYS 36 3HG LYS 36 -7.481 -9.360 -14.643 271 HD2 LYS 36 2HD LYS 36 -6.702 -7.834 -12.955 272 HD3 LYS 36 3HD LYS 36 -5.533 -9.010 -12.357 273 HE2 LYS 36 2HE LYS 36 -4.380 -7.374 -13.692 274 HE3 LYS 36 3HE LYS 36 -4.375 -8.915 -14.548 275 HZ1 LYS 36 3HZ LYS 36 -4.874 -7.118 -16.047 276 HZ2 LYS 36 1HZ LYS 36 -6.177 -6.619 -15.090 277 HZ3 LYS 36 2HZ LYS 36 -6.236 -8.107 -15.890 278 H ILE 37 H ILE 37 -7.044 -10.434 -9.701 279 HA ILE 37 HA ILE 37 -4.691 -8.969 -9.780 280 HB ILE 37 HB ILE 37 -5.863 -10.217 -7.285 281 HG12 ILE 37 2HG1 ILE 37 -7.605 -8.995 -8.468 282 HG13 ILE 37 3HG1 ILE 37 -7.108 -8.074 -7.052 283 HG21 ILE 37 1HG2 ILE 37 -4.831 -8.308 -6.129 284 HG22 ILE 37 2HG2 ILE 37 -4.134 -7.763 -7.654 285 HG23 ILE 37 3HG2 ILE 37 -3.625 -9.298 -6.953 286 HD11 ILE 37 3HD1 ILE 37 -6.268 -7.547 -9.894 287 HD12 ILE 37 1HD1 ILE 37 -5.753 -6.625 -8.483 288 HD13 ILE 37 2HD1 ILE 37 -7.450 -6.628 -8.963 289 H SER 38 H SER 38 -2.643 -9.591 -9.990 290 HA SER 38 HA SER 38 -1.802 -12.214 -8.915 291 HB2 SER 38 2HB SER 38 -0.942 -10.944 -11.531 292 HB3 SER 38 3HB SER 38 -0.317 -12.459 -10.879 293 HG SER 38 HG SER 38 -3.074 -12.018 -11.400 294 H LYS 39 H LYS 39 0.554 -12.429 -8.653 295 HA LYS 39 HA LYS 39 1.711 -10.723 -6.867 296 HB2 LYS 39 2HB LYS 39 2.463 -13.032 -7.580 297 HB3 LYS 39 3HB LYS 39 3.243 -12.283 -8.963 298 HG2 LYS 39 2HG LYS 39 4.615 -10.933 -7.332 299 HG3 LYS 39 3HG LYS 39 3.940 -11.947 -6.050 300 HD2 LYS 39 2HD LYS 39 4.775 -13.952 -7.377 301 HD3 LYS 39 3HD LYS 39 5.661 -12.808 -8.384 302 HE2 LYS 39 2HE LYS 39 7.185 -13.635 -6.755 303 HE3 LYS 39 3HE LYS 39 6.784 -11.984 -6.286 304 HZ1 LYS 39 3HZ LYS 39 6.784 -13.592 -4.421 305 HZ2 LYS 39 1HZ LYS 39 5.485 -14.393 -5.141 306 HZ3 LYS 39 2HZ LYS 39 5.305 -12.800 -4.618 307 H GLU 40 H GLU 40 2.614 -10.811 -10.320 308 HA GLU 40 HA GLU 40 4.203 -8.496 -10.323 309 HB2 GLU 40 2HB GLU 40 3.985 -8.614 -12.791 310 HB3 GLU 40 3HB GLU 40 4.376 -10.169 -12.067 311 HG2 GLU 40 2HG GLU 40 1.976 -10.792 -12.217 312 HG3 GLU 40 3HG GLU 40 1.673 -9.276 -13.063 313 H ALA 41 H ALA 41 0.759 -8.929 -11.081 314 HA ALA 41 HA ALA 41 0.228 -6.372 -12.103 315 HB1 ALA 41 3HB ALA 41 -1.671 -8.206 -10.638 316 HB2 ALA 41 1HB ALA 41 -1.293 -8.285 -12.359 317 HB3 ALA 41 2HB ALA 41 -2.120 -6.872 -11.702 318 H LEU 42 H LEU 42 0.423 -7.518 -8.797 319 HA LEU 42 HA LEU 42 -0.698 -5.153 -7.619 320 HB2 LEU 42 2HB LEU 42 -0.688 -7.406 -6.551 321 HB3 LEU 42 3HB LEU 42 1.047 -7.283 -6.361 322 HG LEU 42 HG LEU 42 -0.791 -5.248 -5.100 323 HD11 LEU 42 1HD1 LEU 42 -0.773 -6.571 -3.050 324 HD12 LEU 42 2HD1 LEU 42 0.101 -7.863 -3.874 325 HD13 LEU 42 3HD1 LEU 42 -1.548 -7.463 -4.359 326 HD21 LEU 42 3HD2 LEU 42 1.560 -4.655 -5.154 327 HD22 LEU 42 1HD2 LEU 42 2.003 -6.217 -4.467 328 HD23 LEU 42 2HD2 LEU 42 1.095 -5.052 -3.501 329 H LEU 43 H LEU 43 2.617 -6.387 -8.067 330 HA LEU 43 HA LEU 43 4.038 -4.382 -6.773 331 HB2 LEU 43 2HB LEU 43 4.826 -5.965 -9.226 332 HB3 LEU 43 3HB LEU 43 5.939 -5.017 -8.256 333 HG LEU 43 HG LEU 43 4.384 -7.425 -7.284 334 HD11 LEU 43 1HD1 LEU 43 6.111 -8.063 -8.865 335 HD12 LEU 43 2HD1 LEU 43 6.564 -8.545 -7.232 336 HD13 LEU 43 3HD1 LEU 43 7.309 -7.127 -7.970 337 HD21 LEU 43 3HD2 LEU 43 5.783 -7.253 -5.278 338 HD22 LEU 43 1HD2 LEU 43 4.778 -5.822 -5.493 339 HD23 LEU 43 2HD2 LEU 43 6.494 -5.763 -5.898 340 H GLU 44 H GLU 44 3.140 -4.501 -10.243 341 HA GLU 44 HA GLU 44 4.361 -2.088 -10.988 342 HB2 GLU 44 2HB GLU 44 2.912 -2.143 -12.971 343 HB3 GLU 44 3HB GLU 44 3.609 -3.720 -12.633 344 HG2 GLU 44 2HG GLU 44 1.495 -4.434 -11.614 345 HG3 GLU 44 3HG GLU 44 0.796 -2.855 -11.968 346 H CYS 45 H CYS 45 1.300 -2.652 -9.400 347 HA CYS 45 HA CYS 45 0.347 0.061 -9.817 348 HB2 CYS 45 2HB CYS 45 -0.733 -2.185 -8.095 349 HB3 CYS 45 3HB CYS 45 -1.527 -0.629 -8.324 350 HG CYS 45 HG CYS 45 -1.130 -3.151 -10.580 351 H ALA 46 H ALA 46 1.918 -1.768 -7.251 352 HA ALA 46 HA ALA 46 1.545 0.200 -5.210 353 HB1 ALA 46 3HB ALA 46 3.561 -2.041 -5.339 354 HB2 ALA 46 1HB ALA 46 1.920 -2.173 -4.703 355 HB3 ALA 46 2HB ALA 46 3.097 -1.133 -3.900 356 H ASP 47 H ASP 47 4.194 -0.545 -7.452 357 HA ASP 47 HA ASP 47 6.151 1.169 -6.440 358 HB2 ASP 47 2HB ASP 47 6.558 -0.538 -8.174 359 HB3 ASP 47 3HB ASP 47 5.636 0.417 -9.331 360 H LEU 48 H LEU 48 3.281 1.911 -8.271 361 HA LEU 48 HA LEU 48 3.933 4.484 -9.199 362 HB2 LEU 48 2HB LEU 48 1.283 3.284 -8.397 363 HB3 LEU 48 3HB LEU 48 1.436 4.866 -9.142 364 HG LEU 48 HG LEU 48 2.254 2.238 -10.401 365 HD11 LEU 48 1HD1 LEU 48 0.392 2.656 -11.939 366 HD12 LEU 48 2HD1 LEU 48 -0.056 4.087 -11.011 367 HD13 LEU 48 3HD1 LEU 48 -0.166 2.486 -10.276 368 HD21 LEU 48 3HD2 LEU 48 3.716 4.025 -11.131 369 HD22 LEU 48 1HD2 LEU 48 2.330 5.060 -11.479 370 HD23 LEU 48 2HD2 LEU 48 2.605 3.602 -12.434 371 H LEU 49 H LEU 49 2.852 3.371 -6.045 372 HA LEU 49 HA LEU 49 2.299 5.973 -4.982 373 HB2 LEU 49 2HB LEU 49 2.749 3.281 -3.690 374 HB3 LEU 49 3HB LEU 49 2.453 4.732 -2.754 375 HG LEU 49 HG LEU 49 0.245 4.976 -3.788 376 HD11 LEU 49 1HD1 LEU 49 0.893 2.408 -5.230 377 HD12 LEU 49 2HD1 LEU 49 0.671 3.997 -5.964 378 HD13 LEU 49 3HD1 LEU 49 -0.688 3.189 -5.183 379 HD21 LEU 49 3HD2 LEU 49 0.439 3.710 -1.718 380 HD22 LEU 49 1HD2 LEU 49 0.736 2.230 -2.631 381 HD23 LEU 49 2HD2 LEU 49 -0.831 3.034 -2.738 382 H SER 50 H SER 50 5.010 3.684 -4.579 383 HA SER 50 HA SER 50 6.595 5.297 -2.912 384 HB2 SER 50 2HB SER 50 8.488 3.839 -3.654 385 HB3 SER 50 3HB SER 50 7.059 2.924 -3.165 386 HG SER 50 HG SER 50 8.293 2.564 -5.344 387 H SER 51 H SER 51 6.691 4.907 -6.455 388 HA SER 51 HA SER 51 8.756 6.746 -6.962 389 HB2 SER 51 2HB SER 51 7.890 6.821 -9.277 390 HB3 SER 51 3HB SER 51 7.981 5.170 -8.666 391 HG SER 51 HG SER 51 5.883 5.002 -8.802 392 H ALA 52 H ALA 52 5.225 7.251 -6.903 393 HA ALA 52 HA ALA 52 5.226 9.967 -7.608 394 HB1 ALA 52 3HB ALA 52 2.967 10.047 -6.716 395 HB2 ALA 52 1HB ALA 52 3.233 8.531 -5.854 396 HB3 ALA 52 2HB ALA 52 3.216 8.549 -7.619 397 H LEU 53 H LEU 53 5.741 8.433 -4.470 398 HA LEU 53 HA LEU 53 5.516 10.845 -2.940 399 HB2 LEU 53 2HB LEU 53 6.701 8.143 -2.308 400 HB3 LEU 53 3HB LEU 53 6.628 9.451 -1.141 401 HG LEU 53 HG LEU 53 4.195 8.252 -2.481 402 HD11 LEU 53 1HD1 LEU 53 5.331 7.705 0.260 403 HD12 LEU 53 2HD1 LEU 53 5.271 6.574 -1.093 404 HD13 LEU 53 3HD1 LEU 53 3.777 7.133 -0.343 405 HD21 LEU 53 3HD2 LEU 53 4.490 10.139 -0.139 406 HD22 LEU 53 1HD2 LEU 53 2.974 9.425 -0.690 407 HD23 LEU 53 2HD2 LEU 53 3.855 10.539 -1.734 408 H THR 54 H THR 54 8.131 9.372 -4.708 409 HA THR 54 HA THR 54 10.212 10.844 -3.320 410 HB THR 54 HB THR 54 11.770 9.893 -4.955 411 HG1 THR 54 HG1 THR 54 9.416 9.419 -6.347 412 HG21 THR 54 3HG2 THR 54 11.193 8.506 -3.048 413 HG22 THR 54 1HG2 THR 54 11.384 7.492 -4.479 414 HG23 THR 54 2HG2 THR 54 9.769 7.891 -3.890 415 H GLU 55 H GLU 55 7.935 11.897 -5.399 416 HA GLU 55 HA GLU 55 9.557 14.174 -6.228 417 HB2 GLU 55 2HB GLU 55 8.674 14.044 -8.569 418 HB3 GLU 55 3HB GLU 55 9.789 12.753 -8.148 419 HG2 GLU 55 2HG GLU 55 7.789 11.296 -7.713 420 HG3 GLU 55 3HG GLU 55 6.794 12.581 -8.397 421 HA PRO 56 HA PRO 56 6.105 16.442 -4.935 422 HB2 PRO 56 2HB PRO 56 5.935 18.537 -6.699 423 HB3 PRO 56 3HB PRO 56 7.164 18.405 -5.437 424 HG2 PRO 56 2HG PRO 56 7.361 17.724 -8.351 425 HG3 PRO 56 3HG PRO 56 8.527 18.580 -7.324 426 HD2 PRO 56 2HD PRO 56 8.832 15.981 -7.962 427 HD3 PRO 56 3HD PRO 56 9.319 16.615 -6.375 428 H VAL 57 H VAL 57 4.111 15.702 -5.025 429 HA VAL 57 HA VAL 57 2.465 16.195 -7.393 430 HB VAL 57 HB VAL 57 1.296 13.977 -7.049 431 HG11 VAL 57 1HG1 VAL 57 4.206 13.806 -7.861 432 HG12 VAL 57 2HG1 VAL 57 2.869 14.296 -8.901 433 HG13 VAL 57 3HG1 VAL 57 2.944 12.647 -8.280 434 HG21 VAL 57 3HG2 VAL 57 3.722 13.405 -5.337 435 HG22 VAL 57 1HG2 VAL 57 2.557 12.197 -5.879 436 HG23 VAL 57 2HG2 VAL 57 2.045 13.490 -4.796 437 HA PRO 58 HA PRO 58 -0.504 17.518 -4.306 438 HB2 PRO 58 2HB PRO 58 -2.750 16.205 -5.656 439 HB3 PRO 58 3HB PRO 58 -2.419 17.926 -5.449 440 HG2 PRO 58 2HG PRO 58 -2.231 16.656 -7.836 441 HG3 PRO 58 3HG PRO 58 -1.250 18.073 -7.415 442 HD2 PRO 58 2HD PRO 58 -0.484 15.179 -7.471 443 HD3 PRO 58 3HD PRO 58 0.473 16.611 -7.911 444 H ASN 59 H ASN 59 -1.159 16.787 -2.370 445 HA ASN 59 HA ASN 59 -0.865 14.189 -1.468 446 HB2 ASN 59 2HB ASN 59 -2.801 16.246 -0.368 447 HB3 ASN 59 3HB ASN 59 -2.139 14.866 0.503 448 HD21 ASN 59 1HD2 ASN 59 -1.252 16.147 2.089 449 HD22 ASN 59 2HD2 ASN 59 0.124 17.148 1.814 450 H SER 60 H SER 60 -3.663 15.694 -2.978 451 HA SER 60 HA SER 60 -5.561 13.682 -2.246 452 HB2 SER 60 2HB SER 60 -6.192 16.002 -2.908 453 HB3 SER 60 3HB SER 60 -5.704 15.637 -4.561 454 HG SER 60 HG SER 60 -7.967 14.880 -3.160 455 H GLN 61 H GLN 61 -3.601 14.284 -5.134 456 HA GLN 61 HA GLN 61 -4.466 12.129 -6.708 457 HB2 GLN 61 2HB GLN 61 -3.111 13.949 -7.608 458 HB3 GLN 61 3HB GLN 61 -1.759 13.482 -6.585 459 HG2 GLN 61 2HG GLN 61 -1.546 11.378 -7.800 460 HG3 GLN 61 3HG GLN 61 -2.933 11.804 -8.803 461 HE21 GLN 61 1HE2 GLN 61 -0.176 11.243 -9.577 462 HE22 GLN 61 2HE2 GLN 61 0.362 12.636 -10.439 463 H LEU 62 H LEU 62 -1.889 12.329 -4.274 464 HA LEU 62 HA LEU 62 -0.806 9.772 -4.515 465 HB2 LEU 62 2HB LEU 62 -1.141 11.573 -2.119 466 HB3 LEU 62 3HB LEU 62 -0.273 10.050 -2.032 467 HG LEU 62 HG LEU 62 0.477 12.302 -3.903 468 HD11 LEU 62 1HD1 LEU 62 0.738 13.028 -1.591 469 HD12 LEU 62 2HD1 LEU 62 2.306 12.776 -2.355 470 HD13 LEU 62 3HD1 LEU 62 1.671 11.577 -1.228 471 HD21 LEU 62 3HD2 LEU 62 2.603 11.053 -4.078 472 HD22 LEU 62 1HD2 LEU 62 1.226 10.131 -4.678 473 HD23 LEU 62 2HD2 LEU 62 1.907 9.765 -3.093 474 H VAL 63 H VAL 63 -3.416 10.802 -2.290 475 HA VAL 63 HA VAL 63 -3.935 8.232 -1.248 476 HB VAL 63 HB VAL 63 -5.854 10.565 -1.456 477 HG11 VAL 63 1HG1 VAL 63 -6.990 9.520 0.459 478 HG12 VAL 63 2HG1 VAL 63 -5.871 8.160 0.381 479 HG13 VAL 63 3HG1 VAL 63 -6.990 8.457 -0.949 480 HG21 VAL 63 3HG2 VAL 63 -3.965 9.815 0.784 481 HG22 VAL 63 1HG2 VAL 63 -5.119 11.147 0.799 482 HG23 VAL 63 2HG2 VAL 63 -3.758 11.172 -0.324 483 H ASP 64 H ASP 64 -5.364 9.971 -3.993 484 HA ASP 64 HA ASP 64 -7.405 8.104 -4.581 485 HB2 ASP 64 2HB ASP 64 -7.318 10.430 -5.452 486 HB3 ASP 64 3HB ASP 64 -5.962 9.978 -6.478 487 H THR 65 H THR 65 -4.064 8.397 -5.752 488 HA THR 65 HA THR 65 -4.154 6.199 -7.559 489 HB THR 65 HB THR 65 -1.770 7.486 -6.193 490 HG1 THR 65 HG1 THR 65 -3.143 8.737 -7.744 491 HG21 THR 65 3HG2 THR 65 -1.184 5.236 -6.947 492 HG22 THR 65 1HG2 THR 65 -0.415 6.445 -7.976 493 HG23 THR 65 2HG2 THR 65 -1.843 5.581 -8.545 494 H GLY 66 H GLY 66 -3.143 6.493 -4.164 495 HA2 GLY 66 2HA GLY 66 -2.263 3.778 -3.915 496 HA3 GLY 66 3HA GLY 66 -2.549 4.904 -2.598 497 H HIS 67 H HIS 67 -5.351 5.321 -3.637 498 HA HIS 67 HA HIS 67 -6.726 3.718 -1.862 499 HB2 HIS 67 2HB HIS 67 -7.693 5.734 -2.767 500 HB3 HIS 67 3HB HIS 67 -7.696 5.063 -4.393 501 HD1 HIS 67 HD1 HIS 67 -9.865 4.117 -5.113 502 HD2 HIS 67 HD2 HIS 67 -9.483 4.158 -0.971 503 HE1 HIS 67 HE1 HIS 67 -12.060 3.278 -4.225 504 HE2 HIS 67 HE2 HIS 67 -11.735 3.132 -1.732 505 H GLN 68 H GLN 68 -6.140 3.086 -5.311 506 HA GLN 68 HA GLN 68 -7.844 0.867 -5.591 507 HB2 GLN 68 2HB GLN 68 -6.562 0.350 -7.618 508 HB3 GLN 68 3HB GLN 68 -6.921 2.070 -7.508 509 HG2 GLN 68 2HG GLN 68 -4.646 2.480 -6.680 510 HG3 GLN 68 3HG GLN 68 -4.289 0.762 -6.830 511 HE21 GLN 68 1HE2 GLN 68 -3.051 3.068 -8.117 512 HE22 GLN 68 2HE2 GLN 68 -3.169 2.775 -9.815 513 H LEU 69 H LEU 69 -4.645 1.085 -4.190 514 HA LEU 69 HA LEU 69 -3.857 -1.601 -4.424 515 HB2 LEU 69 2HB LEU 69 -3.123 0.617 -2.561 516 HB3 LEU 69 3HB LEU 69 -2.581 -1.005 -2.190 517 HG LEU 69 HG LEU 69 -0.850 0.271 -3.365 518 HD11 LEU 69 1HD1 LEU 69 -0.916 -2.151 -3.667 519 HD12 LEU 69 2HD1 LEU 69 -0.352 -1.352 -5.134 520 HD13 LEU 69 3HD1 LEU 69 -2.005 -1.962 -5.044 521 HD21 LEU 69 3HD2 LEU 69 -2.337 1.747 -4.657 522 HD22 LEU 69 1HD2 LEU 69 -2.793 0.382 -5.676 523 HD23 LEU 69 2HD2 LEU 69 -1.128 0.966 -5.674 524 H LEU 70 H LEU 70 -6.067 -0.071 -2.162 525 HA LEU 70 HA LEU 70 -6.239 -2.182 -0.293 526 HB2 LEU 70 2HB LEU 70 -8.018 0.095 -1.060 527 HB3 LEU 70 3HB LEU 70 -8.671 -1.169 -0.034 528 HG LEU 70 HG LEU 70 -7.860 0.739 1.276 529 HD11 LEU 70 1HD1 LEU 70 -6.423 -0.523 2.842 530 HD12 LEU 70 2HD1 LEU 70 -6.260 -1.796 1.633 531 HD13 LEU 70 3HD1 LEU 70 -7.842 -1.431 2.322 532 HD21 LEU 70 3HD2 LEU 70 -5.128 0.062 0.166 533 HD22 LEU 70 1HD2 LEU 70 -5.469 1.237 1.438 534 HD23 LEU 70 2HD2 LEU 70 -6.067 1.512 -0.199 535 H ASP 71 H ASP 71 -7.731 -1.716 -3.426 536 HA ASP 71 HA ASP 71 -9.596 -3.882 -3.200 537 HB2 ASP 71 2HB ASP 71 -9.762 -1.881 -4.769 538 HB3 ASP 71 3HB ASP 71 -8.521 -2.650 -5.749 539 H TYR 72 H TYR 72 -6.535 -3.474 -5.009 540 HA TYR 72 HA TYR 72 -6.212 -6.091 -5.923 541 HB2 TYR 72 2HB TYR 72 -4.208 -3.941 -5.221 542 HB3 TYR 72 3HB TYR 72 -3.705 -5.497 -5.867 543 HD1 TYR 72 HD1 TYR 72 -6.333 -2.939 -6.710 544 HD2 TYR 72 HD2 TYR 72 -3.191 -5.456 -8.108 545 HE1 TYR 72 HE1 TYR 72 -6.683 -2.100 -8.996 546 HE2 TYR 72 HE2 TYR 72 -3.535 -4.625 -10.394 547 HH TYR 72 HH TYR 72 -5.182 -3.565 -11.746 548 H CYS 73 H CYS 73 -4.870 -4.636 -2.956 549 HA CYS 73 HA CYS 73 -3.529 -6.907 -2.019 550 HB2 CYS 73 2HB CYS 73 -4.670 -4.573 -0.470 551 HB3 CYS 73 3HB CYS 73 -3.575 -5.774 0.206 552 HG CYS 73 HG CYS 73 -2.901 -3.085 -1.609 553 H SER 74 H SER 74 -6.830 -5.764 -1.294 554 HA SER 74 HA SER 74 -7.438 -7.638 0.704 555 HB2 SER 74 2HB SER 74 -8.800 -5.605 0.169 556 HB3 SER 74 3HB SER 74 -9.403 -6.432 -1.266 557 HG SER 74 HG SER 74 -10.829 -7.308 -0.012 558 H GLY 75 H GLY 75 -7.736 -7.874 -2.822 559 HA2 GLY 75 2HA GLY 75 -9.016 -10.466 -2.726 560 HA3 GLY 75 3HA GLY 75 -8.450 -9.633 -4.162 561 H TYR 76 H TYR 76 -5.715 -9.317 -3.343 562 HA TYR 76 HA TYR 76 -4.739 -11.814 -4.308 563 HB2 TYR 76 2HB TYR 76 -3.666 -9.721 -4.932 564 HB3 TYR 76 3HB TYR 76 -3.247 -9.401 -3.254 565 HD1 TYR 76 HD2 TYR 76 -2.687 -11.885 -5.987 566 HD2 TYR 76 HD1 TYR 76 -1.161 -10.104 -2.428 567 HE1 TYR 76 HE2 TYR 76 -0.564 -13.084 -6.301 568 HE2 TYR 76 HE1 TYR 76 0.963 -11.302 -2.736 569 HH TYR 76 HH TYR 76 1.836 -13.267 -3.855 570 H VAL 77 H VAL 77 -4.842 -10.375 -1.081 571 HA VAL 77 HA VAL 77 -2.811 -11.777 0.169 572 HB VAL 77 HB VAL 77 -4.047 -9.928 1.228 573 HG11 VAL 77 1HG1 VAL 77 -6.172 -10.345 2.371 574 HG12 VAL 77 2HG1 VAL 77 -6.222 -11.973 1.694 575 HG13 VAL 77 3HG1 VAL 77 -6.327 -10.569 0.628 576 HG21 VAL 77 3HG2 VAL 77 -3.958 -10.782 3.499 577 HG22 VAL 77 1HG2 VAL 77 -2.620 -11.438 2.559 578 HG23 VAL 77 2HG2 VAL 77 -4.028 -12.440 2.907 579 H ASP 78 H ASP 78 -6.063 -12.927 -0.572 580 HA ASP 78 HA ASP 78 -6.048 -15.214 1.090 581 HB2 ASP 78 2HB ASP 78 -8.117 -14.354 0.147 582 HB3 ASP 78 3HB ASP 78 -7.541 -14.673 -1.487 583 H CYS 79 H CYS 79 -4.686 -14.622 -2.079 584 HA CYS 79 HA CYS 79 -4.344 -17.389 -2.781 585 HB2 CYS 79 2HB CYS 79 -3.079 -14.922 -4.001 586 HB3 CYS 79 3HB CYS 79 -3.108 -16.529 -4.720 587 HG CYS 79 HG CYS 79 -4.942 -15.012 -6.123 588 H ILE 80 H ILE 80 -2.637 -15.356 -0.681 589 HA ILE 80 HA ILE 80 0.017 -16.314 -1.211 590 HB ILE 80 HB ILE 80 -1.049 -14.913 1.252 591 HG12 ILE 80 2HG1 ILE 80 0.396 -13.796 -1.175 592 HG13 ILE 80 3HG1 ILE 80 -1.313 -13.580 -0.815 593 HG21 ILE 80 1HG2 ILE 80 1.797 -15.356 0.324 594 HG22 ILE 80 2HG2 ILE 80 1.027 -16.099 1.725 595 HG23 ILE 80 3HG2 ILE 80 1.315 -14.360 1.699 596 HD11 ILE 80 3HD1 ILE 80 -0.029 -11.599 -0.245 597 HD12 ILE 80 1HD1 ILE 80 0.981 -12.551 0.843 598 HD13 ILE 80 2HD1 ILE 80 -0.732 -12.329 1.199 599 HA PRO 81 HA PRO 81 -0.672 -20.198 1.004 600 HB2 PRO 81 2HB PRO 81 1.735 -21.313 0.434 601 HB3 PRO 81 3HB PRO 81 0.424 -21.229 -0.748 602 HG2 PRO 81 2HG PRO 81 2.821 -19.453 -0.446 603 HG3 PRO 81 3HG PRO 81 2.115 -20.131 -1.925 604 HD2 PRO 81 2HD PRO 81 1.677 -17.574 -1.111 605 HD3 PRO 81 3HD PRO 81 0.479 -18.505 -2.033 606 H GLN 82 H GLN 82 2.432 -18.451 1.278 607 HA GLN 82 HA GLN 82 3.106 -19.502 3.834 608 HB2 GLN 82 2HB GLN 82 4.074 -17.040 2.367 609 HB3 GLN 82 3HB GLN 82 4.786 -17.644 3.857 610 HG2 GLN 82 2HG GLN 82 5.473 -19.674 2.787 611 HG3 GLN 82 3HG GLN 82 4.597 -19.253 1.317 612 HE21 GLN 82 1HE2 GLN 82 5.461 -17.693 -0.063 613 HE22 GLN 82 2HE2 GLN 82 7.107 -17.183 0.048 614 H THR 83 H THR 83 1.577 -19.216 5.398 615 HA THR 83 HA THR 83 -0.130 -17.028 5.686 616 HB THR 83 HB THR 83 0.794 -18.852 7.924 617 HG1 THR 83 HG1 THR 83 -0.946 -20.158 7.284 618 HG21 THR 83 3HG2 THR 83 -1.722 -17.200 7.574 619 HG22 THR 83 1HG2 THR 83 -0.432 -16.903 8.743 620 HG23 THR 83 2HG2 THR 83 -1.433 -18.349 8.882 621 H ARG 84 H ARG 84 3.119 -17.495 6.978 622 HA ARG 84 HA ARG 84 3.215 -15.331 8.758 623 HB2 ARG 84 2HB ARG 84 5.406 -16.494 7.017 624 HB3 ARG 84 3HB ARG 84 5.683 -15.356 8.329 625 HG2 ARG 84 2HG ARG 84 4.515 -18.127 8.598 626 HG3 ARG 84 3HG ARG 84 6.151 -17.632 9.038 627 HD2 ARG 84 2HD ARG 84 5.264 -16.116 10.726 628 HD3 ARG 84 3HD ARG 84 3.614 -16.530 10.257 629 HE ARG 84 HE ARG 84 5.049 -18.857 10.998 630 HH11 ARG 84 1HH1 ARG 84 3.533 -16.071 12.350 631 HH12 ARG 84 2HH1 ARG 84 3.218 -16.845 13.863 632 HH21 ARG 84 1HH2 ARG 84 4.603 -19.845 12.931 633 HH22 ARG 84 2HH2 ARG 84 3.797 -18.959 14.182 634 H ASN 85 H ASN 85 4.103 -15.423 5.305 635 HA ASN 85 HA ASN 85 4.533 -12.655 4.959 636 HB2 ASN 85 2HB ASN 85 3.561 -14.704 2.939 637 HB3 ASN 85 3HB ASN 85 4.232 -13.121 2.551 638 HD21 ASN 85 1HD2 ASN 85 5.830 -14.176 1.305 639 HD22 ASN 85 2HD2 ASN 85 7.185 -14.933 2.062 640 H LYS 86 H LYS 86 1.662 -14.658 4.623 641 HA LYS 86 HA LYS 86 -0.093 -12.762 3.526 642 HB2 LYS 86 2HB LYS 86 -0.480 -15.168 3.478 643 HB3 LYS 86 3HB LYS 86 -0.634 -15.205 5.225 644 HG2 LYS 86 2HG LYS 86 -2.732 -14.193 5.188 645 HG3 LYS 86 3HG LYS 86 -2.498 -13.551 3.559 646 HD2 LYS 86 2HD LYS 86 -4.073 -15.496 3.685 647 HD3 LYS 86 3HD LYS 86 -2.714 -15.728 2.587 648 HE2 LYS 86 2HE LYS 86 -1.550 -16.960 4.441 649 HE3 LYS 86 3HE LYS 86 -3.055 -16.871 5.355 650 HZ1 LYS 86 3HZ LYS 86 -2.748 -18.147 2.695 651 HZ2 LYS 86 1HZ LYS 86 -4.160 -18.112 3.627 652 HZ3 LYS 86 2HZ LYS 86 -2.811 -18.974 4.170 653 H PHE 87 H PHE 87 0.600 -13.557 6.926 654 HA PHE 87 HA PHE 87 -1.400 -11.839 8.022 655 HB2 PHE 87 2HB PHE 87 -0.299 -13.780 9.220 656 HB3 PHE 87 3HB PHE 87 1.135 -12.770 9.389 657 HD1 PHE 87 HD2 PHE 87 -2.396 -13.154 10.380 658 HD2 PHE 87 HD1 PHE 87 1.247 -11.046 11.041 659 HE1 PHE 87 HE2 PHE 87 -3.332 -12.184 12.440 660 HE2 PHE 87 HE1 PHE 87 0.317 -10.082 13.101 661 HZ PHE 87 HZ PHE 87 -1.975 -10.647 13.802 662 H ALA 88 H ALA 88 2.124 -11.507 7.594 663 HA ALA 88 HA ALA 88 2.433 -8.892 8.535 664 HB1 ALA 88 3HB ALA 88 3.957 -10.259 6.308 665 HB2 ALA 88 1HB ALA 88 4.329 -10.346 8.030 666 HB3 ALA 88 2HB ALA 88 4.474 -8.811 7.175 667 H PHE 89 H PHE 89 1.556 -10.073 5.331 668 HA PHE 89 HA PHE 89 1.419 -7.648 3.954 669 HB2 PHE 89 2HB PHE 89 1.286 -9.909 2.920 670 HB3 PHE 89 3HB PHE 89 -0.329 -10.100 3.587 671 HD1 PHE 89 HD2 PHE 89 1.706 -8.254 1.133 672 HD2 PHE 89 HD1 PHE 89 -2.220 -9.093 2.553 673 HE1 PHE 89 HE2 PHE 89 0.752 -7.224 -0.887 674 HE2 PHE 89 HE1 PHE 89 -3.173 -8.071 0.533 675 HZ PHE 89 HZ PHE 89 -1.684 -7.132 -1.191 676 H ARG 90 H ARG 90 -1.115 -9.358 5.805 677 HA ARG 90 HA ARG 90 -3.192 -7.525 5.394 678 HB2 ARG 90 2HB ARG 90 -2.637 -9.414 7.682 679 HB3 ARG 90 3HB ARG 90 -4.082 -8.415 7.623 680 HG2 ARG 90 2HG ARG 90 -3.284 -10.545 5.643 681 HG3 ARG 90 3HG ARG 90 -4.583 -10.633 6.835 682 HD2 ARG 90 2HD ARG 90 -4.425 -8.818 4.429 683 HD3 ARG 90 3HD ARG 90 -5.548 -10.151 4.691 684 HE ARG 90 HE ARG 90 -5.847 -8.258 6.753 685 HH11 ARG 90 1HH1 ARG 90 -6.557 -8.720 3.418 686 HH12 ARG 90 2HH1 ARG 90 -7.849 -7.576 3.424 687 HH21 ARG 90 1HH2 ARG 90 -7.511 -6.800 6.745 688 HH22 ARG 90 2HH2 ARG 90 -8.382 -6.501 5.283 689 H GLU 91 H GLU 91 -0.883 -7.673 8.145 690 HA GLU 91 HA GLU 91 -1.958 -5.399 9.443 691 HB2 GLU 91 2HB GLU 91 -0.045 -5.443 10.887 692 HB3 GLU 91 3HB GLU 91 -0.514 -7.106 10.560 693 HG2 GLU 91 2HG GLU 91 1.343 -7.511 9.234 694 HG3 GLU 91 3HG GLU 91 1.631 -5.798 8.936 695 H ALA 92 H ALA 92 0.549 -5.727 6.984 696 HA ALA 92 HA ALA 92 1.520 -3.073 7.060 697 HB1 ALA 92 3HB ALA 92 2.378 -3.529 4.806 698 HB2 ALA 92 1HB ALA 92 1.397 -4.993 4.729 699 HB3 ALA 92 2HB ALA 92 2.704 -4.868 5.907 700 H VAL 93 H VAL 93 -1.070 -4.578 5.133 701 HA VAL 93 HA VAL 93 -1.833 -2.239 3.729 702 HB VAL 93 HB VAL 93 -3.464 -4.708 4.385 703 HG11 VAL 93 1HG1 VAL 93 -3.999 -2.526 2.362 704 HG12 VAL 93 2HG1 VAL 93 -4.935 -2.838 3.823 705 HG13 VAL 93 3HG1 VAL 93 -4.915 -4.026 2.519 706 HG21 VAL 93 3HG2 VAL 93 -1.421 -5.137 3.078 707 HG22 VAL 93 1HG2 VAL 93 -1.946 -3.948 1.885 708 HG23 VAL 93 2HG2 VAL 93 -2.882 -5.422 2.130 709 H SER 94 H SER 94 -2.920 -3.594 6.828 710 HA SER 94 HA SER 94 -5.000 -1.776 7.351 711 HB2 SER 94 2HB SER 94 -3.162 -3.216 9.280 712 HB3 SER 94 3HB SER 94 -4.617 -2.343 9.762 713 HG SER 94 HG SER 94 -5.564 -3.843 7.990 714 H LYS 95 H LYS 95 -1.534 -1.451 7.667 715 HA LYS 95 HA LYS 95 -1.607 1.103 8.994 716 HB2 LYS 95 2HB LYS 95 0.605 -0.275 7.442 717 HB3 LYS 95 3HB LYS 95 0.807 1.176 8.418 718 HG2 LYS 95 2HG LYS 95 0.365 0.002 10.429 719 HG3 LYS 95 3HG LYS 95 -0.202 -1.421 9.557 720 HD2 LYS 95 2HD LYS 95 2.025 -1.857 8.726 721 HD3 LYS 95 3HD LYS 95 2.626 -0.365 9.444 722 HE2 LYS 95 2HE LYS 95 3.255 -2.229 10.844 723 HE3 LYS 95 3HE LYS 95 2.046 -1.263 11.685 724 HZ1 LYS 95 3HZ LYS 95 1.452 -3.509 11.979 725 HZ2 LYS 95 1HZ LYS 95 1.666 -3.875 10.343 726 HZ3 LYS 95 2HZ LYS 95 0.372 -2.901 10.832 727 H LEU 96 H LEU 96 -1.437 -0.027 5.658 728 HA LEU 96 HA LEU 96 -0.909 2.432 4.392 729 HB2 LEU 96 2HB LEU 96 -0.699 0.240 3.289 730 HB3 LEU 96 3HB LEU 96 -2.441 0.042 3.351 731 HG LEU 96 HG LEU 96 -2.676 2.032 1.859 732 HD11 LEU 96 1HD1 LEU 96 -0.690 2.818 0.635 733 HD12 LEU 96 2HD1 LEU 96 0.332 1.844 1.693 734 HD13 LEU 96 3HD1 LEU 96 -0.608 3.179 2.359 735 HD21 LEU 96 3HD2 LEU 96 -0.993 -0.232 0.779 736 HD22 LEU 96 1HD2 LEU 96 -1.959 0.886 -0.187 737 HD23 LEU 96 2HD2 LEU 96 -2.751 -0.218 0.937 738 H GLU 97 H GLU 97 -4.041 0.784 4.946 739 HA GLU 97 HA GLU 97 -5.650 2.863 3.911 740 HB2 GLU 97 2HB GLU 97 -7.520 1.757 5.074 741 HB3 GLU 97 3HB GLU 97 -6.517 0.601 4.210 742 HG2 GLU 97 2HG GLU 97 -5.415 -0.009 6.314 743 HG3 GLU 97 3HG GLU 97 -6.443 1.132 7.178 744 H LEU 98 H LEU 98 -4.408 2.242 7.159 745 HA LEU 98 HA LEU 98 -5.816 4.226 8.555 746 HB2 LEU 98 2HB LEU 98 -4.602 2.483 9.699 747 HB3 LEU 98 3HB LEU 98 -3.082 3.032 9.021 748 HG LEU 98 HG LEU 98 -3.204 5.084 10.355 749 HD11 LEU 98 1HD1 LEU 98 -5.625 5.353 10.474 750 HD12 LEU 98 2HD1 LEU 98 -4.918 5.352 12.088 751 HD13 LEU 98 3HD1 LEU 98 -5.751 3.917 11.491 752 HD21 LEU 98 3HD2 LEU 98 -2.832 4.089 12.548 753 HD22 LEU 98 1HD2 LEU 98 -2.082 3.118 11.282 754 HD23 LEU 98 2HD2 LEU 98 -3.598 2.591 12.014 755 H SER 99 H SER 99 -2.616 4.397 6.991 756 HA SER 99 HA SER 99 -2.194 7.148 7.595 757 HB2 SER 99 2HB SER 99 -0.376 6.954 5.836 758 HB3 SER 99 3HB SER 99 -0.270 5.802 7.167 759 HG SER 99 HG SER 99 -0.683 4.201 5.836 760 H LEU 100 H LEU 100 -3.446 5.480 4.707 761 HA LEU 100 HA LEU 100 -3.716 7.743 3.065 762 HB2 LEU 100 2HB LEU 100 -5.179 5.116 3.135 763 HB3 LEU 100 3HB LEU 100 -5.569 6.351 1.950 764 HG LEU 100 HG LEU 100 -2.840 5.074 2.271 765 HD11 LEU 100 1HD1 LEU 100 -4.479 3.461 1.445 766 HD12 LEU 100 2HD1 LEU 100 -3.340 3.918 0.179 767 HD13 LEU 100 3HD1 LEU 100 -4.970 4.593 0.184 768 HD21 LEU 100 3HD2 LEU 100 -2.345 6.168 0.137 769 HD22 LEU 100 1HD2 LEU 100 -2.748 7.350 1.384 770 HD23 LEU 100 2HD2 LEU 100 -3.939 6.926 0.153 771 H GLN 101 H GLN 101 -6.003 6.396 5.453 772 HA GLN 101 HA GLN 101 -8.136 8.151 4.748 773 HB2 GLN 101 2HB GLN 101 -9.274 7.353 6.710 774 HB3 GLN 101 3HB GLN 101 -8.453 5.995 5.954 775 HG2 GLN 101 2HG GLN 101 -6.629 6.234 7.618 776 HG3 GLN 101 3HG GLN 101 -7.559 7.505 8.405 777 HE21 GLN 101 1HE2 GLN 101 -7.755 6.393 10.326 778 HE22 GLN 101 2HE2 GLN 101 -8.748 4.991 10.499 779 H GLU 102 H GLU 102 -5.567 8.361 7.209 780 HA GLU 102 HA GLU 102 -6.592 10.786 8.356 781 HB2 GLU 102 2HB GLU 102 -4.520 10.881 9.622 782 HB3 GLU 102 3HB GLU 102 -5.159 9.245 9.651 783 HG2 GLU 102 2HG GLU 102 -3.538 8.545 7.993 784 HG3 GLU 102 3HG GLU 102 -2.938 10.195 7.845 785 H LEU 103 H LEU 103 -4.261 10.030 5.816 786 HA LEU 103 HA LEU 103 -3.109 12.595 5.573 787 HB2 LEU 103 2HB LEU 103 -2.115 10.604 4.557 788 HB3 LEU 103 3HB LEU 103 -3.481 10.466 3.464 789 HG LEU 103 HG LEU 103 -2.860 12.642 2.442 790 HD11 LEU 103 1HD1 LEU 103 -0.444 12.455 4.245 791 HD12 LEU 103 2HD1 LEU 103 -1.729 13.661 4.333 792 HD13 LEU 103 3HD1 LEU 103 -0.661 13.615 2.932 793 HD21 LEU 103 3HD2 LEU 103 -2.090 10.538 1.449 794 HD22 LEU 103 1HD2 LEU 103 -0.635 10.596 2.446 795 HD23 LEU 103 2HD2 LEU 103 -0.915 11.831 1.219 796 H GLN 104 H GLN 104 -5.717 11.107 3.627 797 HA GLN 104 HA GLN 104 -6.106 13.229 1.870 798 HB2 GLN 104 2HB GLN 104 -8.268 12.218 1.345 799 HB3 GLN 104 3HB GLN 104 -7.007 11.000 1.485 800 HG2 GLN 104 2HG GLN 104 -7.808 10.546 3.810 801 HG3 GLN 104 3HG GLN 104 -9.158 11.638 3.497 802 HE21 GLN 104 1HE2 GLN 104 -7.745 8.558 2.771 803 HE22 GLN 104 2HE2 GLN 104 -9.123 7.890 1.972 804 H VAL 105 H VAL 105 -7.166 12.978 5.170 805 HA VAL 105 HA VAL 105 -8.947 15.288 4.861 806 HB VAL 105 HB VAL 105 -9.608 14.932 7.180 807 HG11 VAL 105 1HG1 VAL 105 -10.804 13.695 5.469 808 HG12 VAL 105 2HG1 VAL 105 -10.671 12.718 6.931 809 HG13 VAL 105 3HG1 VAL 105 -9.624 12.387 5.550 810 HG21 VAL 105 3HG2 VAL 105 -7.617 12.656 7.197 811 HG22 VAL 105 1HG2 VAL 105 -8.776 13.016 8.477 812 HG23 VAL 105 2HG2 VAL 105 -7.485 14.159 8.108 813 H SER 106 H SER 106 -5.863 14.399 6.341 814 HA SER 106 HA SER 106 -5.562 17.084 7.490 815 HB2 SER 106 2HB SER 106 -5.037 15.087 8.891 816 HB3 SER 106 3HB SER 106 -3.733 14.683 7.775 817 HG SER 106 HG SER 106 -3.448 16.128 9.840 818 H SER 107 H SER 107 -5.271 16.236 4.530 819 HA SER 107 HA SER 107 -2.621 16.588 3.692 820 HB2 SER 107 2HB SER 107 -5.217 17.283 2.294 821 HB3 SER 107 3HB SER 107 -3.638 17.365 1.514 822 HG SER 107 HG SER 107 -4.669 15.025 2.746 823 H ALA 108 H ALA 108 -5.196 19.065 3.676 824 HA ALA 108 HA ALA 108 -5.192 21.318 3.917 825 HB1 ALA 108 3HB ALA 108 -3.563 22.344 5.410 826 HB2 ALA 108 1HB ALA 108 -2.561 20.893 5.334 827 HB3 ALA 108 2HB ALA 108 -4.159 20.825 6.078 828 H ALA 109 H ALA 109 -1.716 20.700 3.438 829 HA ALA 109 HA ALA 109 -1.105 22.910 1.907 830 HB1 ALA 109 3HB ALA 109 0.921 21.730 1.285 831 HB2 ALA 109 1HB ALA 109 0.198 20.194 1.768 832 HB3 ALA 109 2HB ALA 109 0.530 21.432 2.979 833 H ALA 110 H ALA 110 -2.864 20.141 0.866 834 HA ALA 110 HA ALA 110 -3.849 19.580 -1.098 835 HB1 ALA 110 3HB ALA 110 -4.292 21.993 -1.344 836 HB2 ALA 110 1HB ALA 110 -4.054 21.184 -2.895 837 HB3 ALA 110 2HB ALA 110 -2.764 22.169 -2.205 838 H GLY 111 H GLY 111 -0.756 21.139 -2.065 839 HA2 GLY 111 2HA GLY 111 0.162 18.562 -3.126 840 HA3 GLY 111 3HA GLY 111 0.014 19.894 -4.260 841 H VAL 112 H VAL 112 1.614 18.908 -1.249 842 HA VAL 112 HA VAL 112 4.036 20.326 -2.144 843 HB VAL 112 HB VAL 112 2.938 20.477 0.682 844 HG11 VAL 112 1HG1 VAL 112 5.371 20.255 0.702 845 HG12 VAL 112 2HG1 VAL 112 4.892 21.883 1.178 846 HG13 VAL 112 3HG1 VAL 112 5.516 21.587 -0.446 847 HG21 VAL 112 3HG2 VAL 112 2.835 22.905 0.277 848 HG22 VAL 112 1HG2 VAL 112 1.798 22.011 -0.834 849 HG23 VAL 112 2HG2 VAL 112 3.348 22.643 -1.391 850 HA PRO 113 HA PRO 113 5.658 16.240 -1.133 851 HB2 PRO 113 2HB PRO 113 8.274 16.759 -1.699 852 HB3 PRO 113 3HB PRO 113 7.058 16.461 -2.946 853 HG2 PRO 113 2HG PRO 113 8.148 19.071 -1.950 854 HG3 PRO 113 3HG PRO 113 7.834 18.557 -3.617 855 HD2 PRO 113 2HD PRO 113 6.135 20.163 -2.251 856 HD3 PRO 113 3HD PRO 113 5.566 18.991 -3.458 857 H GLY 114 H GLY 114 5.932 15.578 0.918 858 HA2 GLY 114 2HA GLY 114 6.992 15.295 2.963 859 HA3 GLY 114 3HA GLY 114 8.093 16.593 2.541 860 H THR 115 H THR 115 4.824 17.506 2.206 861 HA THR 115 HA THR 115 4.957 19.433 4.274 862 HB THR 115 HB THR 115 3.515 19.798 2.361 863 HG1 THR 115 HG1 THR 115 2.550 20.980 3.837 864 HG21 THR 115 3HG2 THR 115 1.824 17.522 3.413 865 HG22 THR 115 1HG2 THR 115 2.825 17.469 1.962 866 HG23 THR 115 2HG2 THR 115 1.439 18.557 2.037 867 H ASN 116 H ASN 116 3.570 16.190 4.206 868 HA ASN 116 HA ASN 116 3.108 16.389 7.114 869 HB2 ASN 116 2HB ASN 116 1.350 15.012 5.063 870 HB3 ASN 116 3HB ASN 116 1.201 14.760 6.800 871 HD21 ASN 116 1HD2 ASN 116 0.590 16.886 4.171 872 HD22 ASN 116 2HD2 ASN 116 -0.334 18.047 5.046 873 HA PRO 117 HA PRO 117 6.069 13.006 7.370 874 HB2 PRO 117 2HB PRO 117 4.408 12.397 9.790 875 HB3 PRO 117 3HB PRO 117 6.166 12.504 9.632 876 HG2 PRO 117 2HG PRO 117 4.802 14.490 10.747 877 HG3 PRO 117 3HG PRO 117 6.153 14.837 9.652 878 HD2 PRO 117 2HD PRO 117 3.211 15.033 9.154 879 HD3 PRO 117 3HD PRO 117 4.528 16.061 8.554 880 H VAL 118 H VAL 118 2.583 12.567 7.537 881 HA VAL 118 HA VAL 118 2.279 9.832 7.451 882 HB VAL 118 HB VAL 118 0.694 11.783 5.756 883 HG11 VAL 118 1HG1 VAL 118 0.255 9.468 5.174 884 HG12 VAL 118 2HG1 VAL 118 -1.133 10.150 6.022 885 HG13 VAL 118 3HG1 VAL 118 -0.027 9.068 6.869 886 HG21 VAL 118 3HG2 VAL 118 0.261 10.968 8.637 887 HG22 VAL 118 1HG2 VAL 118 -0.846 11.945 7.672 888 HG23 VAL 118 2HG2 VAL 118 0.759 12.560 8.065 889 H LEU 119 H LEU 119 3.245 11.977 4.815 890 HA LEU 119 HA LEU 119 3.041 10.203 2.652 891 HB2 LEU 119 2HB LEU 119 5.088 12.397 3.049 892 HB3 LEU 119 3HB LEU 119 4.637 11.670 1.517 893 HG LEU 119 HG LEU 119 2.825 13.337 3.275 894 HD11 LEU 119 1HD1 LEU 119 4.552 14.664 2.171 895 HD12 LEU 119 2HD1 LEU 119 2.959 14.995 1.493 896 HD13 LEU 119 3HD1 LEU 119 4.097 13.974 0.613 897 HD21 LEU 119 3HD2 LEU 119 1.574 11.617 2.080 898 HD22 LEU 119 1HD2 LEU 119 2.318 12.114 0.560 899 HD23 LEU 119 2HD2 LEU 119 1.236 13.214 1.417 900 H ASN 120 H ASN 120 5.788 10.860 4.811 901 HA ASN 120 HA ASN 120 7.613 9.034 3.683 902 HB2 ASN 120 2HB ASN 120 7.422 9.974 6.561 903 HB3 ASN 120 3HB ASN 120 8.837 9.244 5.806 904 HD21 ASN 120 1HD2 ASN 120 10.127 11.039 6.183 905 HD22 ASN 120 2HD2 ASN 120 9.920 12.524 5.329 906 H ASN 121 H ASN 121 5.140 8.660 6.178 907 HA ASN 121 HA ASN 121 5.761 5.993 6.909 908 HB2 ASN 121 2HB ASN 121 3.108 7.451 7.062 909 HB3 ASN 121 3HB ASN 121 3.489 5.939 7.884 910 HD21 ASN 121 1HD2 ASN 121 2.694 8.466 9.049 911 HD22 ASN 121 2HD2 ASN 121 3.979 8.942 10.100 912 H LEU 122 H LEU 122 3.526 7.338 4.475 913 HA LEU 122 HA LEU 122 2.436 4.965 3.501 914 HB2 LEU 122 2HB LEU 122 3.091 7.577 2.150 915 HB3 LEU 122 3HB LEU 122 2.391 6.247 1.248 916 HG LEU 122 HG LEU 122 1.110 7.598 3.635 917 HD11 LEU 122 1HD1 LEU 122 1.183 9.045 1.654 918 HD12 LEU 122 2HD1 LEU 122 -0.460 8.527 2.024 919 HD13 LEU 122 3HD1 LEU 122 0.422 7.770 0.698 920 HD21 LEU 122 3HD2 LEU 122 0.473 5.258 3.471 921 HD22 LEU 122 1HD2 LEU 122 0.078 5.461 1.764 922 HD23 LEU 122 2HD2 LEU 122 -0.875 6.291 2.995 923 H LEU 123 H LEU 123 5.415 6.631 2.473 924 HA LEU 123 HA LEU 123 6.276 4.901 0.494 925 HB2 LEU 123 2HB LEU 123 7.353 7.050 1.051 926 HB3 LEU 123 3HB LEU 123 7.979 6.350 2.531 927 HG LEU 123 HG LEU 123 9.340 4.768 1.195 928 HD11 LEU 123 1HD1 LEU 123 9.591 5.110 -1.213 929 HD12 LEU 123 2HD1 LEU 123 8.319 6.332 -1.179 930 HD13 LEU 123 3HD1 LEU 123 7.939 4.651 -0.798 931 HD21 LEU 123 3HD2 LEU 123 10.347 6.834 1.962 932 HD22 LEU 123 1HD2 LEU 123 9.739 7.691 0.545 933 HD23 LEU 123 2HD2 LEU 123 10.959 6.432 0.360 934 H SER 124 H SER 124 7.006 4.713 3.981 935 HA SER 124 HA SER 124 8.499 2.341 3.939 936 HB2 SER 124 2HB SER 124 8.435 3.806 5.904 937 HB3 SER 124 3HB SER 124 6.734 3.420 6.157 938 HG SER 124 HG SER 124 8.776 2.153 7.153 939 H CYS 125 H CYS 125 4.995 2.820 4.316 940 HA CYS 125 HA CYS 125 4.311 0.118 4.792 941 HB2 CYS 125 2HB CYS 125 2.648 2.342 3.581 942 HB3 CYS 125 3HB CYS 125 2.008 0.802 4.143 943 HG CYS 125 HG CYS 125 3.627 3.005 6.206 944 H VAL 126 H VAL 126 4.321 2.016 1.766 945 HA VAL 126 HA VAL 126 3.412 0.005 0.041 946 HB VAL 126 HB VAL 126 5.298 2.298 -0.576 947 HG11 VAL 126 1HG1 VAL 126 5.416 0.622 -2.336 948 HG12 VAL 126 2HG1 VAL 126 4.537 2.037 -2.912 949 HG13 VAL 126 3HG1 VAL 126 3.656 0.581 -2.450 950 HG21 VAL 126 3HG2 VAL 126 2.295 2.093 -0.850 951 HG22 VAL 126 1HG2 VAL 126 3.286 3.472 -1.322 952 HG23 VAL 126 2HG2 VAL 126 3.160 3.018 0.378 953 H GLN 127 H GLN 127 6.744 0.909 0.920 954 HA GLN 127 HA GLN 127 8.090 -1.022 -0.614 955 HB2 GLN 127 2HB GLN 127 8.845 0.280 2.011 956 HB3 GLN 127 3HB GLN 127 9.943 -0.716 1.063 957 HG2 GLN 127 2HG GLN 127 9.910 0.850 -0.748 958 HG3 GLN 127 3HG GLN 127 8.628 1.787 0.018 959 HE21 GLN 127 1HE2 GLN 127 11.308 2.602 -0.833 960 HE22 GLN 127 2HE2 GLN 127 12.070 3.249 0.575 961 H GLU 128 H GLU 128 6.879 -1.171 2.726 962 HA GLU 128 HA GLU 128 7.797 -3.731 3.395 963 HB2 GLU 128 2HB GLU 128 6.806 -2.004 4.950 964 HB3 GLU 128 3HB GLU 128 5.219 -2.460 4.351 965 HG2 GLU 128 2HG GLU 128 5.556 -3.580 6.416 966 HG3 GLU 128 3HG GLU 128 5.673 -4.789 5.137 967 H ILE 129 H ILE 129 4.549 -2.788 2.219 968 HA ILE 129 HA ILE 129 3.426 -5.311 1.918 969 HB ILE 129 HB ILE 129 2.969 -2.835 0.234 970 HG12 ILE 129 2HG1 ILE 129 1.415 -3.949 2.589 971 HG13 ILE 129 3HG1 ILE 129 2.509 -2.573 2.656 972 HG21 ILE 129 1HG2 ILE 129 0.828 -3.849 -0.416 973 HG22 ILE 129 2HG2 ILE 129 1.271 -5.328 0.436 974 HG23 ILE 129 3HG2 ILE 129 2.197 -4.810 -0.973 975 HD11 ILE 129 3HD1 ILE 129 -0.056 -2.731 1.089 976 HD12 ILE 129 1HD1 ILE 129 1.051 -1.357 1.107 977 HD13 ILE 129 2HD1 ILE 129 0.215 -1.835 2.584 978 H SER 130 H SER 130 5.144 -3.399 -0.561 979 HA SER 130 HA SER 130 5.036 -5.216 -2.666 980 HB2 SER 130 2HB SER 130 7.221 -3.221 -2.006 981 HB3 SER 130 3HB SER 130 7.054 -4.051 -3.555 982 HG SER 130 HG SER 130 5.493 -2.018 -2.435 983 H ASP 131 H ASP 131 7.559 -4.898 -0.165 984 HA ASP 131 HA ASP 131 9.330 -6.840 -1.096 985 HB2 ASP 131 2HB ASP 131 9.612 -5.169 0.832 986 HB3 ASP 131 3HB ASP 131 8.776 -6.344 1.837 987 H VAL 132 H VAL 132 6.598 -7.203 1.172 988 HA VAL 132 HA VAL 132 6.801 -9.962 1.616 989 HB VAL 132 HB VAL 132 4.291 -8.266 1.546 990 HG11 VAL 132 1HG1 VAL 132 4.765 -10.968 2.819 991 HG12 VAL 132 2HG1 VAL 132 3.767 -10.648 1.401 992 HG13 VAL 132 3HG1 VAL 132 3.297 -9.997 2.970 993 HG21 VAL 132 3HG2 VAL 132 6.088 -9.014 3.864 994 HG22 VAL 132 1HG2 VAL 132 4.577 -8.107 3.981 995 HG23 VAL 132 2HG2 VAL 132 5.955 -7.418 3.126 996 H VAL 133 H VAL 133 4.983 -8.194 -0.893 997 HA VAL 133 HA VAL 133 3.805 -10.447 -2.123 998 HB VAL 133 HB VAL 133 4.521 -7.799 -3.408 999 HG11 VAL 133 1HG1 VAL 133 2.520 -9.908 -4.243 1000 HG12 VAL 133 2HG1 VAL 133 4.017 -9.496 -5.082 1001 HG13 VAL 133 3HG1 VAL 133 2.706 -8.320 -4.989 1002 HG21 VAL 133 3HG2 VAL 133 2.201 -7.170 -2.883 1003 HG22 VAL 133 1HG2 VAL 133 3.149 -7.480 -1.433 1004 HG23 VAL 133 2HG2 VAL 133 1.997 -8.687 -2.007 1005 H GLN 134 H GLN 134 6.987 -9.008 -2.478 1006 HA GLN 134 HA GLN 134 7.755 -10.380 -4.858 1007 HB2 GLN 134 2HB GLN 134 9.482 -9.270 -2.633 1008 HB3 GLN 134 3HB GLN 134 10.057 -9.753 -4.223 1009 HG2 GLN 134 2HG GLN 134 8.816 -7.985 -5.274 1010 HG3 GLN 134 3HG GLN 134 8.046 -7.561 -3.746 1011 HE21 GLN 134 1HE2 GLN 134 9.644 -5.892 -5.488 1012 HE22 GLN 134 2HE2 GLN 134 10.968 -5.332 -4.535 1013 H ARG 135 H ARG 135 7.120 -11.592 -1.799 1014 HA ARG 135 HA ARG 135 9.122 -13.745 -1.956 1015 HB2 ARG 135 2HB ARG 135 7.154 -13.159 0.272 1016 HB3 ARG 135 3HB ARG 135 8.554 -14.225 0.346 1017 HG2 ARG 135 2HG ARG 135 10.059 -12.362 0.178 1018 HG3 ARG 135 3HG ARG 135 8.724 -11.250 -0.129 1019 HD2 ARG 135 2HD ARG 135 7.828 -11.881 2.150 1020 HD3 ARG 135 3HD ARG 135 9.355 -12.722 2.428 1021 HE ARG 135 HE ARG 135 9.781 -10.031 1.599 1022 HH11 ARG 135 1HH1 ARG 135 8.954 -11.946 4.363 1023 HH12 ARG 135 2HH1 ARG 135 9.523 -10.749 5.473 1024 HH21 ARG 135 1HH2 ARG 135 10.489 -8.537 3.039 1025 HH22 ARG 135 2HH2 ARG 135 10.359 -8.835 4.739 Start of MODEL 5 1 H1 MET 1 1H MET 1 -52.443 -33.894 -12.440 2 H2 MET 1 2H MET 1 -53.010 -35.476 -12.621 3 H3 MET 1 3H MET 1 -51.769 -34.907 -13.618 4 HA MET 1 HA MET 1 -50.290 -34.705 -11.731 5 HB2 MET 1 2HB MET 1 -52.013 -34.253 -10.043 6 HB3 MET 1 3HB MET 1 -52.623 -35.893 -10.202 7 HG2 MET 1 2HG MET 1 -50.456 -36.744 -9.373 8 HG3 MET 1 3HG MET 1 -49.921 -35.079 -9.142 9 HE1 MET 1 3HE MET 1 -51.078 -33.386 -7.420 10 HE2 MET 1 1HE MET 1 -52.449 -33.824 -6.400 11 HE3 MET 1 2HE MET 1 -52.652 -33.710 -8.149 12 H GLY 2 H GLY 2 -48.806 -36.359 -11.563 13 HA2 GLY 2 2HA GLY 2 -49.012 -38.979 -11.095 14 HA3 GLY 2 3HA GLY 2 -49.530 -38.921 -12.770 15 H HIS 3 H HIS 3 -47.083 -40.015 -11.263 16 HA HIS 3 HA HIS 3 -44.833 -38.558 -12.223 17 HB2 HIS 3 2HB HIS 3 -45.087 -41.388 -11.192 18 HB3 HIS 3 3HB HIS 3 -43.549 -40.636 -11.608 19 HD1 HIS 3 HD1 HIS 3 -45.862 -41.049 -8.839 20 HD2 HIS 3 HD2 HIS 3 -43.025 -38.236 -9.982 21 HE1 HIS 3 HE1 HIS 3 -45.370 -39.715 -6.772 22 HE2 HIS 3 HE2 HIS 3 -43.782 -37.916 -7.535 23 H HIS 4 H HIS 4 -44.652 -38.245 -14.355 24 HA HIS 4 HA HIS 4 -44.344 -40.645 -16.041 25 HB2 HIS 4 2HB HIS 4 -45.598 -38.013 -16.855 26 HB3 HIS 4 3HB HIS 4 -45.184 -39.305 -17.974 27 HD1 HIS 4 HD1 HIS 4 -46.816 -41.235 -18.186 28 HD2 HIS 4 HD2 HIS 4 -47.801 -38.608 -15.122 29 HE1 HIS 4 HE1 HIS 4 -49.124 -41.891 -17.450 30 HE2 HIS 4 HE2 HIS 4 -49.760 -40.179 -15.725 31 H HIS 5 H HIS 5 -42.508 -40.730 -17.250 32 HA HIS 5 HA HIS 5 -40.363 -39.243 -16.148 33 HB2 HIS 5 2HB HIS 5 -40.329 -41.662 -16.804 34 HB3 HIS 5 3HB HIS 5 -40.254 -41.153 -18.487 35 HD1 HIS 5 HD1 HIS 5 -38.243 -40.754 -15.283 36 HD2 HIS 5 HD2 HIS 5 -37.717 -40.792 -19.404 37 HE1 HIS 5 HE1 HIS 5 -35.763 -40.639 -15.646 38 HE2 HIS 5 HE2 HIS 5 -35.485 -40.492 -18.140 39 H HIS 6 H HIS 6 -42.329 -37.954 -18.409 40 HA HIS 6 HA HIS 6 -40.064 -36.548 -19.704 41 HB2 HIS 6 2HB HIS 6 -42.754 -37.191 -20.932 42 HB3 HIS 6 3HB HIS 6 -41.518 -36.188 -21.685 43 HD1 HIS 6 HD1 HIS 6 -42.788 -39.395 -22.012 44 HD2 HIS 6 HD2 HIS 6 -38.916 -37.925 -21.661 45 HE1 HIS 6 HE1 HIS 6 -41.302 -41.171 -22.982 46 HE2 HIS 6 HE2 HIS 6 -38.985 -40.197 -22.892 47 H HIS 7 H HIS 7 -41.794 -35.897 -17.255 48 HA HIS 7 HA HIS 7 -43.021 -33.390 -18.185 49 HB2 HIS 7 2HB HIS 7 -43.381 -35.041 -15.701 50 HB3 HIS 7 3HB HIS 7 -43.881 -33.353 -15.731 51 HD1 HIS 7 HD1 HIS 7 -46.140 -32.891 -16.651 52 HD2 HIS 7 HD2 HIS 7 -44.739 -36.631 -17.777 53 HE1 HIS 7 HE1 HIS 7 -48.061 -33.998 -17.817 54 HE2 HIS 7 HE2 HIS 7 -47.250 -36.319 -18.327 55 H HIS 8 H HIS 8 -40.036 -34.263 -16.982 56 HA HIS 8 HA HIS 8 -39.696 -31.937 -15.268 57 HB2 HIS 8 2HB HIS 8 -38.538 -34.007 -14.666 58 HB3 HIS 8 3HB HIS 8 -37.668 -33.985 -16.197 59 HD1 HIS 8 HD1 HIS 8 -35.344 -33.245 -15.855 60 HD2 HIS 8 HD2 HIS 8 -37.952 -31.296 -13.273 61 HE1 HIS 8 HE1 HIS 8 -33.915 -31.676 -14.519 62 HE2 HIS 8 HE2 HIS 8 -35.535 -30.386 -13.096 63 H SER 9 H SER 9 -39.943 -30.147 -16.515 64 HA SER 9 HA SER 9 -38.513 -29.845 -19.030 65 HB2 SER 9 2HB SER 9 -40.780 -28.993 -18.945 66 HB3 SER 9 3HB SER 9 -40.392 -27.985 -17.551 67 HG SER 9 HG SER 9 -39.372 -26.585 -18.810 68 H HIS 10 H HIS 10 -36.650 -28.800 -19.310 69 HA HIS 10 HA HIS 10 -35.069 -27.763 -17.211 70 HB2 HIS 10 2HB HIS 10 -33.684 -26.813 -19.129 71 HB3 HIS 10 3HB HIS 10 -33.957 -28.551 -19.160 72 HD1 HIS 10 HD1 HIS 10 -35.113 -29.506 -21.175 73 HD2 HIS 10 HD2 HIS 10 -35.266 -25.354 -21.070 74 HE1 HIS 10 HE1 HIS 10 -36.064 -28.813 -23.389 75 HE2 HIS 10 HE2 HIS 10 -36.336 -26.320 -23.219 76 H MET 11 H MET 11 -34.346 -25.560 -16.860 77 HA MET 11 HA MET 11 -36.548 -23.695 -16.909 78 HB2 MET 11 2HB MET 11 -33.722 -23.244 -15.922 79 HB3 MET 11 3HB MET 11 -35.129 -22.250 -15.567 80 HG2 MET 11 2HG MET 11 -34.649 -25.085 -14.667 81 HG3 MET 11 3HG MET 11 -34.612 -23.633 -13.670 82 HE1 MET 11 3HE MET 11 -37.141 -22.006 -14.782 83 HE2 MET 11 1HE MET 11 -36.764 -22.192 -13.069 84 HE3 MET 11 2HE MET 11 -38.385 -22.556 -13.659 85 H ALA 12 H ALA 12 -36.799 -21.890 -18.133 86 HA ALA 12 HA ALA 12 -35.235 -21.695 -20.553 87 HB1 ALA 12 3HB ALA 12 -36.900 -20.084 -21.276 88 HB2 ALA 12 1HB ALA 12 -37.586 -20.034 -19.652 89 HB3 ALA 12 2HB ALA 12 -37.677 -21.517 -20.603 90 H ASN 13 H ASN 13 -35.091 -19.174 -21.314 91 HA ASN 13 HA ASN 13 -32.767 -18.239 -20.041 92 HB2 ASN 13 2HB ASN 13 -34.582 -16.708 -21.923 93 HB3 ASN 13 3HB ASN 13 -32.904 -16.316 -21.547 94 HD21 ASN 13 1HD2 ASN 13 -35.022 -18.341 -23.360 95 HD22 ASN 13 2HD2 ASN 13 -33.804 -19.139 -24.287 96 H GLY 14 H GLY 14 -32.424 -16.942 -18.357 97 HA2 GLY 14 2HA GLY 14 -32.970 -14.909 -17.112 98 HA3 GLY 14 3HA GLY 14 -34.669 -15.309 -17.314 99 H ALA 15 H ALA 15 -34.389 -18.111 -16.710 100 HA ALA 15 HA ALA 15 -34.407 -17.971 -13.825 101 HB1 ALA 15 3HB ALA 15 -36.062 -19.322 -14.993 102 HB2 ALA 15 1HB ALA 15 -35.066 -20.338 -13.948 103 HB3 ALA 15 2HB ALA 15 -34.783 -20.319 -15.690 104 H ALA 16 H ALA 16 -33.161 -19.378 -12.446 105 HA ALA 16 HA ALA 16 -31.256 -20.265 -11.613 106 HB1 ALA 16 3HB ALA 16 -29.802 -21.617 -13.006 107 HB2 ALA 16 1HB ALA 16 -30.516 -20.924 -14.463 108 HB3 ALA 16 2HB ALA 16 -31.490 -21.941 -13.404 109 H GLY 17 H GLY 17 -31.447 -17.474 -12.900 110 HA2 GLY 17 2HA GLY 17 -28.568 -16.879 -13.130 111 HA3 GLY 17 3HA GLY 17 -29.867 -15.861 -13.727 112 H THR 18 H THR 18 -31.123 -16.629 -10.926 113 HA THR 18 HA THR 18 -30.846 -14.175 -9.697 114 HB THR 18 HB THR 18 -31.381 -16.813 -8.299 115 HG1 THR 18 HG1 THR 18 -32.822 -15.450 -10.112 116 HG21 THR 18 3HG2 THR 18 -32.583 -15.425 -6.639 117 HG22 THR 18 1HG2 THR 18 -32.012 -13.973 -7.462 118 HG23 THR 18 2HG2 THR 18 -30.859 -15.060 -6.687 119 H LYS 19 H LYS 19 -28.890 -17.086 -9.154 120 HA LYS 19 HA LYS 19 -27.279 -16.326 -7.052 121 HB2 LYS 19 2HB LYS 19 -25.503 -17.755 -8.108 122 HB3 LYS 19 3HB LYS 19 -27.076 -18.529 -7.968 123 HG2 LYS 19 2HG LYS 19 -27.522 -18.238 -10.295 124 HG3 LYS 19 3HG LYS 19 -26.103 -17.210 -10.501 125 HD2 LYS 19 2HD LYS 19 -25.959 -20.102 -9.634 126 HD3 LYS 19 3HD LYS 19 -25.847 -19.585 -11.316 127 HE2 LYS 19 2HE LYS 19 -23.876 -18.219 -10.754 128 HE3 LYS 19 3HE LYS 19 -23.986 -18.758 -9.078 129 HZ1 LYS 19 3HZ LYS 19 -23.584 -20.574 -11.393 130 HZ2 LYS 19 1HZ LYS 19 -23.525 -20.988 -9.756 131 HZ3 LYS 19 2HZ LYS 19 -22.334 -19.985 -10.415 132 H VAL 20 H VAL 20 -26.858 -15.468 -10.481 133 HA VAL 20 HA VAL 20 -24.580 -13.759 -9.767 134 HB VAL 20 HB VAL 20 -24.294 -15.438 -11.587 135 HG11 VAL 20 1HG1 VAL 20 -26.527 -15.366 -12.543 136 HG12 VAL 20 2HG1 VAL 20 -25.313 -15.029 -13.777 137 HG13 VAL 20 3HG1 VAL 20 -26.260 -13.710 -13.091 138 HG21 VAL 20 3HG2 VAL 20 -24.003 -12.557 -12.450 139 HG22 VAL 20 1HG2 VAL 20 -23.180 -13.937 -13.177 140 HG23 VAL 20 2HG2 VAL 20 -22.842 -13.489 -11.505 141 H ALA 21 H ALA 21 -27.761 -13.423 -9.909 142 HA ALA 21 HA ALA 21 -27.904 -10.842 -11.260 143 HB1 ALA 21 3HB ALA 21 -30.023 -12.333 -9.702 144 HB2 ALA 21 1HB ALA 21 -29.789 -12.402 -11.449 145 HB3 ALA 21 2HB ALA 21 -30.281 -10.890 -10.685 146 H LEU 22 H LEU 22 -28.112 -12.122 -7.950 147 HA LEU 22 HA LEU 22 -28.325 -9.518 -6.733 148 HB2 LEU 22 2HB LEU 22 -27.623 -12.192 -5.504 149 HB3 LEU 22 3HB LEU 22 -28.010 -10.733 -4.610 150 HG LEU 22 HG LEU 22 -29.907 -12.249 -6.414 151 HD11 LEU 22 1HD1 LEU 22 -29.436 -13.431 -4.330 152 HD12 LEU 22 2HD1 LEU 22 -31.086 -12.809 -4.349 153 HD13 LEU 22 3HD1 LEU 22 -29.843 -11.983 -3.408 154 HD21 LEU 22 3HD2 LEU 22 -30.367 -9.798 -4.704 155 HD22 LEU 22 1HD2 LEU 22 -31.620 -10.709 -5.548 156 HD23 LEU 22 2HD2 LEU 22 -30.378 -9.862 -6.468 157 H ARG 23 H ARG 23 -25.729 -11.871 -7.223 158 HA ARG 23 HA ARG 23 -23.472 -11.727 -7.210 159 HB2 ARG 23 2HB ARG 23 -24.061 -8.795 -7.670 160 HB3 ARG 23 3HB ARG 23 -22.464 -9.517 -7.821 161 HG2 ARG 23 2HG ARG 23 -23.331 -11.012 -9.580 162 HG3 ARG 23 3HG ARG 23 -24.898 -10.215 -9.457 163 HD2 ARG 23 2HD ARG 23 -23.937 -8.118 -10.179 164 HD3 ARG 23 3HD ARG 23 -22.317 -8.820 -10.173 165 HE ARG 23 HE ARG 23 -24.162 -10.212 -11.881 166 HH11 ARG 23 1HH1 ARG 23 -21.971 -7.560 -11.688 167 HH12 ARG 23 2HH1 ARG 23 -21.699 -7.517 -13.395 168 HH21 ARG 23 1HH2 ARG 23 -23.781 -10.164 -14.078 169 HH22 ARG 23 2HH2 ARG 23 -22.711 -8.967 -14.724 170 H LYS 24 H LYS 24 -25.015 -11.234 -4.622 171 HA LYS 24 HA LYS 24 -23.264 -9.638 -2.999 172 HB2 LYS 24 2HB LYS 24 -25.423 -11.636 -2.304 173 HB3 LYS 24 3HB LYS 24 -24.501 -10.767 -1.085 174 HG2 LYS 24 2HG LYS 24 -26.235 -9.501 -3.204 175 HG3 LYS 24 3HG LYS 24 -26.677 -9.726 -1.511 176 HD2 LYS 24 2HD LYS 24 -24.357 -8.057 -2.513 177 HD3 LYS 24 3HD LYS 24 -25.915 -7.427 -1.979 178 HE2 LYS 24 2HE LYS 24 -23.963 -8.978 -0.268 179 HE3 LYS 24 3HE LYS 24 -24.207 -7.233 -0.225 180 HZ1 LYS 24 3HZ LYS 24 -26.224 -9.298 0.470 181 HZ2 LYS 24 1HZ LYS 24 -26.511 -7.632 0.449 182 HZ3 LYS 24 2HZ LYS 24 -25.414 -8.283 1.553 183 H THR 25 H THR 25 -23.329 -12.947 -4.028 184 HA THR 25 HA THR 25 -21.072 -13.631 -2.258 185 HB THR 25 HB THR 25 -21.391 -15.952 -2.967 186 HG1 THR 25 HG1 THR 25 -23.689 -15.154 -4.439 187 HG21 THR 25 3HG2 THR 25 -24.020 -14.675 -2.185 188 HG22 THR 25 1HG2 THR 25 -22.732 -15.153 -1.076 189 HG23 THR 25 2HG2 THR 25 -23.601 -16.378 -2.001 190 H LYS 26 H LYS 26 -19.069 -14.402 -3.154 191 HA LYS 26 HA LYS 26 -18.327 -13.273 -5.659 192 HB2 LYS 26 2HB LYS 26 -16.857 -15.449 -4.192 193 HB3 LYS 26 3HB LYS 26 -16.192 -14.345 -5.375 194 HG2 LYS 26 2HG LYS 26 -16.610 -12.460 -3.849 195 HG3 LYS 26 3HG LYS 26 -17.216 -13.588 -2.637 196 HD2 LYS 26 2HD LYS 26 -14.420 -13.639 -3.792 197 HD3 LYS 26 3HD LYS 26 -14.857 -12.881 -2.262 198 HE2 LYS 26 2HE LYS 26 -15.682 -15.103 -1.472 199 HE3 LYS 26 3HE LYS 26 -15.059 -15.813 -2.961 200 HZ1 LYS 26 3HZ LYS 26 -13.459 -14.415 -0.887 201 HZ2 LYS 26 1HZ LYS 26 -12.841 -15.029 -2.334 202 HZ3 LYS 26 2HZ LYS 26 -13.478 -16.081 -1.173 203 H GLN 27 H GLN 27 -18.557 -14.063 -7.620 204 HA GLN 27 HA GLN 27 -20.213 -16.457 -7.806 205 HB2 GLN 27 2HB GLN 27 -21.001 -15.560 -9.910 206 HB3 GLN 27 3HB GLN 27 -21.076 -14.326 -8.662 207 HG2 GLN 27 2HG GLN 27 -18.859 -13.477 -9.559 208 HG3 GLN 27 3HG GLN 27 -19.117 -14.551 -10.933 209 HE21 GLN 27 1HE2 GLN 27 -21.615 -12.770 -9.220 210 HE22 GLN 27 2HE2 GLN 27 -22.029 -11.737 -10.537 211 H ALA 28 H ALA 28 -17.208 -15.210 -9.231 212 HA ALA 28 HA ALA 28 -16.383 -17.840 -10.012 213 HB1 ALA 28 3HB ALA 28 -17.085 -15.911 -12.230 214 HB2 ALA 28 1HB ALA 28 -17.990 -17.365 -11.808 215 HB3 ALA 28 2HB ALA 28 -16.345 -17.500 -12.425 216 H ALA 29 H ALA 29 -14.212 -17.946 -10.683 217 HA ALA 29 HA ALA 29 -12.438 -16.108 -9.564 218 HB1 ALA 29 3HB ALA 29 -11.865 -18.438 -10.014 219 HB2 ALA 29 1HB ALA 29 -10.677 -17.350 -10.731 220 HB3 ALA 29 2HB ALA 29 -11.894 -18.122 -11.749 221 H GLU 30 H GLU 30 -13.812 -16.186 -12.781 222 HA GLU 30 HA GLU 30 -12.183 -14.378 -14.140 223 HB2 GLU 30 2HB GLU 30 -15.196 -14.680 -14.279 224 HB3 GLU 30 3HB GLU 30 -14.218 -13.840 -15.470 225 HG2 GLU 30 2HG GLU 30 -13.892 -16.757 -14.804 226 HG3 GLU 30 3HG GLU 30 -14.924 -16.152 -16.098 227 H LYS 31 H LYS 31 -14.909 -13.736 -11.947 228 HA LYS 31 HA LYS 31 -14.629 -10.870 -12.266 229 HB2 LYS 31 2HB LYS 31 -16.597 -12.499 -10.657 230 HB3 LYS 31 3HB LYS 31 -16.697 -10.787 -10.985 231 HG2 LYS 31 2HG LYS 31 -16.658 -12.776 -13.218 232 HG3 LYS 31 3HG LYS 31 -18.148 -12.401 -12.362 233 HD2 LYS 31 2HD LYS 31 -18.131 -11.023 -14.290 234 HD3 LYS 31 3HD LYS 31 -17.735 -9.969 -12.937 235 HE2 LYS 31 2HE LYS 31 -15.421 -9.934 -13.549 236 HE3 LYS 31 3HE LYS 31 -15.657 -11.211 -14.744 237 HZ1 LYS 31 3HZ LYS 31 -16.973 -9.718 -16.062 238 HZ2 LYS 31 1HZ LYS 31 -15.489 -8.983 -15.724 239 HZ3 LYS 31 2HZ LYS 31 -16.879 -8.511 -14.886 240 H ILE 32 H ILE 32 -13.853 -13.352 -9.937 241 HA ILE 32 HA ILE 32 -13.605 -11.687 -7.641 242 HB ILE 32 HB ILE 32 -12.260 -14.336 -8.244 243 HG12 ILE 32 2HG1 ILE 32 -14.743 -13.713 -6.613 244 HG13 ILE 32 3HG1 ILE 32 -14.742 -14.418 -8.225 245 HG21 ILE 32 1HG2 ILE 32 -12.572 -12.899 -5.600 246 HG22 ILE 32 2HG2 ILE 32 -11.065 -13.099 -6.495 247 HG23 ILE 32 3HG2 ILE 32 -11.888 -14.508 -5.828 248 HD11 ILE 32 3HD1 ILE 32 -15.100 -16.103 -6.520 249 HD12 ILE 32 1HD1 ILE 32 -13.576 -15.670 -5.748 250 HD13 ILE 32 2HD1 ILE 32 -13.576 -16.384 -7.362 251 H SER 33 H SER 33 -12.257 -9.985 -7.584 252 HA SER 33 HA SER 33 -10.152 -9.486 -9.313 253 HB2 SER 33 2HB SER 33 -9.466 -7.699 -7.777 254 HB3 SER 33 3HB SER 33 -11.223 -7.739 -7.937 255 HG SER 33 HG SER 33 -10.271 -7.561 -5.738 256 H ALA 34 H ALA 34 -10.060 -11.037 -6.137 257 HA ALA 34 HA ALA 34 -7.406 -11.138 -5.533 258 HB1 ALA 34 3HB ALA 34 -7.845 -13.181 -4.307 259 HB2 ALA 34 1HB ALA 34 -9.316 -13.459 -5.245 260 HB3 ALA 34 2HB ALA 34 -9.214 -12.079 -4.150 261 H ASP 35 H ASP 35 -9.061 -13.298 -7.820 262 HA ASP 35 HA ASP 35 -6.712 -14.862 -8.376 263 HB2 ASP 35 2HB ASP 35 -9.182 -15.579 -8.565 264 HB3 ASP 35 3HB ASP 35 -9.188 -14.726 -10.104 265 H LYS 36 H LYS 36 -8.174 -11.995 -9.671 266 HA LYS 36 HA LYS 36 -6.716 -11.950 -12.150 267 HB2 LYS 36 2HB LYS 36 -8.931 -10.905 -11.932 268 HB3 LYS 36 3HB LYS 36 -8.307 -9.799 -10.723 269 HG2 LYS 36 2HG LYS 36 -7.023 -9.788 -13.413 270 HG3 LYS 36 3HG LYS 36 -8.634 -9.089 -13.255 271 HD2 LYS 36 2HD LYS 36 -7.775 -7.625 -11.434 272 HD3 LYS 36 3HD LYS 36 -6.159 -8.278 -11.709 273 HE2 LYS 36 2HE LYS 36 -6.167 -7.416 -13.983 274 HE3 LYS 36 3HE LYS 36 -7.818 -6.834 -13.781 275 HZ1 LYS 36 3HZ LYS 36 -6.990 -5.346 -12.013 276 HZ2 LYS 36 1HZ LYS 36 -6.291 -5.029 -13.517 277 HZ3 LYS 36 2HZ LYS 36 -5.410 -5.854 -12.340 278 H ILE 37 H ILE 37 -6.165 -10.776 -8.900 279 HA ILE 37 HA ILE 37 -4.216 -8.796 -9.532 280 HB ILE 37 HB ILE 37 -4.424 -10.303 -6.916 281 HG12 ILE 37 2HG1 ILE 37 -6.618 -9.419 -7.371 282 HG13 ILE 37 3HG1 ILE 37 -5.861 -8.393 -6.162 283 HG21 ILE 37 1HG2 ILE 37 -3.418 -8.301 -5.948 284 HG22 ILE 37 2HG2 ILE 37 -3.356 -7.545 -7.541 285 HG23 ILE 37 3HG2 ILE 37 -2.383 -8.977 -7.205 286 HD11 ILE 37 3HD1 ILE 37 -7.084 -7.080 -7.783 287 HD12 ILE 37 1HD1 ILE 37 -6.135 -7.770 -9.098 288 HD13 ILE 37 2HD1 ILE 37 -5.358 -6.741 -7.893 289 H SER 38 H SER 38 -2.733 -9.766 -10.982 290 HA SER 38 HA SER 38 -1.147 -12.034 -10.155 291 HB2 SER 38 2HB SER 38 -0.756 -10.107 -12.467 292 HB3 SER 38 3HB SER 38 0.166 -11.587 -12.215 293 HG SER 38 HG SER 38 -2.202 -12.476 -12.122 294 H LYS 39 H LYS 39 1.103 -12.024 -9.690 295 HA LYS 39 HA LYS 39 1.991 -10.269 -7.770 296 HB2 LYS 39 2HB LYS 39 3.019 -12.456 -8.217 297 HB3 LYS 39 3HB LYS 39 3.686 -11.849 -9.727 298 HG2 LYS 39 2HG LYS 39 5.071 -10.259 -8.481 299 HG3 LYS 39 3HG LYS 39 4.396 -10.858 -6.965 300 HD2 LYS 39 2HD LYS 39 5.305 -13.098 -7.468 301 HD3 LYS 39 3HD LYS 39 6.016 -12.460 -8.952 302 HE2 LYS 39 2HE LYS 39 7.385 -10.913 -7.632 303 HE3 LYS 39 3HE LYS 39 6.668 -11.541 -6.147 304 HZ1 LYS 39 3HZ LYS 39 8.803 -12.555 -6.552 305 HZ2 LYS 39 1HZ LYS 39 8.311 -13.083 -8.081 306 HZ3 LYS 39 2HZ LYS 39 7.589 -13.722 -6.696 307 H GLU 40 H GLU 40 3.076 -10.246 -11.178 308 HA GLU 40 HA GLU 40 4.587 -7.935 -11.167 309 HB2 GLU 40 2HB GLU 40 4.104 -7.810 -13.603 310 HB3 GLU 40 3HB GLU 40 4.538 -9.427 -13.067 311 HG2 GLU 40 2HG GLU 40 2.127 -10.010 -13.013 312 HG3 GLU 40 3HG GLU 40 1.765 -8.419 -13.682 313 H ALA 41 H ALA 41 1.078 -8.185 -11.778 314 HA ALA 41 HA ALA 41 0.575 -5.536 -12.475 315 HB1 ALA 41 3HB ALA 41 -1.275 -7.453 -11.053 316 HB2 ALA 41 1HB ALA 41 -1.049 -7.333 -12.799 317 HB3 ALA 41 2HB ALA 41 -1.759 -5.989 -11.906 318 H LEU 42 H LEU 42 0.434 -7.052 -9.249 319 HA LEU 42 HA LEU 42 -0.358 -4.744 -7.833 320 HB2 LEU 42 2HB LEU 42 -0.410 -7.128 -7.019 321 HB3 LEU 42 3HB LEU 42 1.321 -7.032 -6.783 322 HG LEU 42 HG LEU 42 -0.547 -5.122 -5.376 323 HD11 LEU 42 1HD1 LEU 42 0.331 -7.836 -4.386 324 HD12 LEU 42 2HD1 LEU 42 -1.309 -7.385 -4.849 325 HD13 LEU 42 3HD1 LEU 42 -0.548 -6.625 -3.452 326 HD21 LEU 42 3HD2 LEU 42 1.287 -5.010 -3.742 327 HD22 LEU 42 1HD2 LEU 42 1.829 -4.545 -5.354 328 HD23 LEU 42 2HD2 LEU 42 2.225 -6.142 -4.718 329 H LEU 43 H LEU 43 2.875 -6.083 -8.481 330 HA LEU 43 HA LEU 43 4.381 -4.226 -7.022 331 HB2 LEU 43 2HB LEU 43 5.137 -5.742 -9.525 332 HB3 LEU 43 3HB LEU 43 6.273 -4.902 -8.480 333 HG LEU 43 HG LEU 43 4.563 -7.269 -7.674 334 HD11 LEU 43 1HD1 LEU 43 6.347 -7.870 -9.239 335 HD12 LEU 43 2HD1 LEU 43 6.647 -8.520 -7.628 336 HD13 LEU 43 3HD1 LEU 43 7.534 -7.100 -8.185 337 HD21 LEU 43 3HD2 LEU 43 5.903 -7.261 -5.615 338 HD22 LEU 43 1HD2 LEU 43 4.966 -5.778 -5.789 339 HD23 LEU 43 2HD2 LEU 43 6.695 -5.774 -6.137 340 H GLU 44 H GLU 44 3.325 -4.099 -10.427 341 HA GLU 44 HA GLU 44 4.662 -1.682 -11.064 342 HB2 GLU 44 2HB GLU 44 2.122 -2.776 -12.292 343 HB3 GLU 44 3HB GLU 44 3.182 -1.569 -13.005 344 HG2 GLU 44 2HG GLU 44 3.814 -4.470 -12.496 345 HG3 GLU 44 3HG GLU 44 3.571 -3.689 -14.055 346 H CYS 45 H CYS 45 1.311 -2.308 -10.013 347 HA CYS 45 HA CYS 45 0.414 0.357 -10.008 348 HB2 CYS 45 2HB CYS 45 -0.465 -1.959 -8.264 349 HB3 CYS 45 3HB CYS 45 -1.338 -0.438 -8.424 350 HG CYS 45 HG CYS 45 -1.199 -3.065 -10.514 351 H ALA 46 H ALA 46 2.150 -1.498 -7.551 352 HA ALA 46 HA ALA 46 1.973 0.483 -5.501 353 HB1 ALA 46 3HB ALA 46 3.657 -0.847 -4.345 354 HB2 ALA 46 1HB ALA 46 3.952 -1.775 -5.818 355 HB3 ALA 46 2HB ALA 46 2.387 -1.875 -5.008 356 H ASP 47 H ASP 47 4.396 -0.266 -7.987 357 HA ASP 47 HA ASP 47 6.432 1.474 -7.210 358 HB2 ASP 47 2HB ASP 47 6.631 -0.220 -9.010 359 HB3 ASP 47 3HB ASP 47 5.605 0.770 -10.041 360 H LEU 48 H LEU 48 3.409 2.140 -8.869 361 HA LEU 48 HA LEU 48 3.788 4.737 -9.747 362 HB2 LEU 48 2HB LEU 48 1.359 3.425 -8.530 363 HB3 LEU 48 3HB LEU 48 1.320 5.053 -9.182 364 HG LEU 48 HG LEU 48 2.024 2.574 -10.770 365 HD11 LEU 48 1HD1 LEU 48 -0.152 2.908 -11.860 366 HD12 LEU 48 2HD1 LEU 48 -0.514 4.214 -10.732 367 HD13 LEU 48 3HD1 LEU 48 -0.328 2.563 -10.139 368 HD21 LEU 48 3HD2 LEU 48 3.132 4.565 -11.619 369 HD22 LEU 48 1HD2 LEU 48 1.602 5.443 -11.620 370 HD23 LEU 48 2HD2 LEU 48 1.837 4.076 -12.712 371 H LEU 49 H LEU 49 2.858 3.675 -6.471 372 HA LEU 49 HA LEU 49 2.767 6.316 -5.391 373 HB2 LEU 49 2HB LEU 49 3.018 3.631 -4.017 374 HB3 LEU 49 3HB LEU 49 2.813 5.152 -3.166 375 HG LEU 49 HG LEU 49 0.630 5.437 -4.446 376 HD11 LEU 49 1HD1 LEU 49 1.085 2.520 -5.064 377 HD12 LEU 49 2HD1 LEU 49 1.055 3.841 -6.232 378 HD13 LEU 49 3HD1 LEU 49 -0.406 3.421 -5.343 379 HD21 LEU 49 3HD2 LEU 49 0.689 4.789 -2.099 380 HD22 LEU 49 1HD2 LEU 49 0.872 3.096 -2.558 381 HD23 LEU 49 2HD2 LEU 49 -0.614 3.960 -2.949 382 H SER 50 H SER 50 5.250 3.791 -5.479 383 HA SER 50 HA SER 50 7.206 4.960 -3.873 384 HB2 SER 50 2HB SER 50 7.421 2.685 -4.791 385 HB3 SER 50 3HB SER 50 7.616 3.349 -6.412 386 HG SER 50 HG SER 50 9.661 3.424 -5.963 387 H SER 51 H SER 51 6.721 5.387 -7.389 388 HA SER 51 HA SER 51 8.747 7.364 -7.690 389 HB2 SER 51 2HB SER 51 7.875 6.070 -9.613 390 HB3 SER 51 3HB SER 51 6.316 6.873 -9.444 391 HG SER 51 HG SER 51 7.193 8.760 -10.134 392 H ALA 52 H ALA 52 5.212 7.599 -7.337 393 HA ALA 52 HA ALA 52 4.978 10.366 -7.653 394 HB1 ALA 52 3HB ALA 52 2.774 10.148 -6.655 395 HB2 ALA 52 1HB ALA 52 3.200 8.557 -6.018 396 HB3 ALA 52 2HB ALA 52 3.084 8.808 -7.760 397 H LEU 53 H LEU 53 5.828 8.512 -4.779 398 HA LEU 53 HA LEU 53 5.611 10.799 -3.018 399 HB2 LEU 53 2HB LEU 53 6.710 8.020 -2.606 400 HB3 LEU 53 3HB LEU 53 6.674 9.240 -1.344 401 HG LEU 53 HG LEU 53 4.225 8.154 -2.758 402 HD11 LEU 53 1HD1 LEU 53 5.262 6.434 -1.388 403 HD12 LEU 53 2HD1 LEU 53 3.757 6.988 -0.657 404 HD13 LEU 53 3HD1 LEU 53 5.304 7.533 -0.009 405 HD21 LEU 53 3HD2 LEU 53 3.911 10.434 -1.960 406 HD22 LEU 53 1HD2 LEU 53 4.494 9.975 -0.358 407 HD23 LEU 53 2HD2 LEU 53 2.984 9.303 -0.976 408 H THR 54 H THR 54 8.019 9.564 -5.116 409 HA THR 54 HA THR 54 10.170 11.037 -3.748 410 HB THR 54 HB THR 54 11.681 10.036 -5.459 411 HG1 THR 54 HG1 THR 54 9.623 8.261 -6.201 412 HG21 THR 54 3HG2 THR 54 11.612 7.746 -4.586 413 HG22 THR 54 1HG2 THR 54 9.990 8.032 -3.952 414 HG23 THR 54 2HG2 THR 54 11.364 8.923 -3.297 415 H GLU 55 H GLU 55 7.781 11.982 -5.565 416 HA GLU 55 HA GLU 55 9.308 14.159 -6.789 417 HB2 GLU 55 2HB GLU 55 8.143 13.974 -8.925 418 HB3 GLU 55 3HB GLU 55 8.986 12.467 -8.587 419 HG2 GLU 55 2HG GLU 55 6.905 11.426 -7.887 420 HG3 GLU 55 3HG GLU 55 6.041 12.942 -8.122 421 HA PRO 56 HA PRO 56 5.777 16.506 -5.275 422 HB2 PRO 56 2HB PRO 56 5.960 18.283 -7.630 423 HB3 PRO 56 3HB PRO 56 6.187 18.664 -5.920 424 HG2 PRO 56 2HG PRO 56 8.254 18.603 -7.642 425 HG3 PRO 56 3HG PRO 56 8.428 18.094 -5.952 426 HD2 PRO 56 2HD PRO 56 8.137 16.411 -8.418 427 HD3 PRO 56 3HD PRO 56 9.200 16.175 -7.012 428 H VAL 57 H VAL 57 3.744 15.770 -5.447 429 HA VAL 57 HA VAL 57 2.367 15.811 -8.037 430 HB VAL 57 HB VAL 57 1.325 13.586 -7.562 431 HG11 VAL 57 1HG1 VAL 57 3.171 13.749 -9.154 432 HG12 VAL 57 2HG1 VAL 57 3.237 12.224 -8.271 433 HG13 VAL 57 3HG1 VAL 57 4.334 13.538 -7.844 434 HG21 VAL 57 3HG2 VAL 57 2.395 12.088 -5.947 435 HG22 VAL 57 1HG2 VAL 57 1.717 13.510 -5.154 436 HG23 VAL 57 2HG2 VAL 57 3.458 13.398 -5.431 437 HA PRO 58 HA PRO 58 -1.099 17.345 -5.672 438 HB2 PRO 58 2HB PRO 58 -3.209 16.015 -6.861 439 HB3 PRO 58 3HB PRO 58 -2.438 17.463 -7.517 440 HG2 PRO 58 2HG PRO 58 -2.013 14.591 -8.243 441 HG3 PRO 58 3HG PRO 58 -2.099 16.014 -9.297 442 HD2 PRO 58 2HD PRO 58 0.253 14.871 -8.634 443 HD3 PRO 58 3HD PRO 58 0.097 16.626 -8.864 444 H ASN 59 H ASN 59 -2.017 16.830 -3.761 445 HA ASN 59 HA ASN 59 -1.426 14.417 -2.468 446 HB2 ASN 59 2HB ASN 59 -2.111 16.824 -1.586 447 HB3 ASN 59 3HB ASN 59 -3.713 16.106 -1.521 448 HD21 ASN 59 1HD2 ASN 59 -2.739 13.447 -0.799 449 HD22 ASN 59 2HD2 ASN 59 -2.212 13.574 0.838 450 H SER 60 H SER 60 -4.337 15.478 -4.140 451 HA SER 60 HA SER 60 -6.109 13.415 -3.516 452 HB2 SER 60 2HB SER 60 -7.202 13.927 -5.673 453 HB3 SER 60 3HB SER 60 -6.767 15.400 -4.808 454 HG SER 60 HG SER 60 -5.843 15.897 -6.639 455 H GLN 61 H GLN 61 -3.699 13.570 -6.129 456 HA GLN 61 HA GLN 61 -4.171 11.120 -7.360 457 HB2 GLN 61 2HB GLN 61 -2.656 12.789 -8.300 458 HB3 GLN 61 3HB GLN 61 -1.544 12.574 -6.956 459 HG2 GLN 61 2HG GLN 61 -1.150 10.250 -7.681 460 HG3 GLN 61 3HG GLN 61 -2.218 10.518 -9.059 461 HE21 GLN 61 1HE2 GLN 61 0.624 9.819 -9.007 462 HE22 GLN 61 2HE2 GLN 61 1.432 11.059 -9.892 463 H LEU 62 H LEU 62 -1.931 11.855 -4.682 464 HA LEU 62 HA LEU 62 -0.878 9.312 -4.279 465 HB2 LEU 62 2HB LEU 62 -1.463 11.496 -2.277 466 HB3 LEU 62 3HB LEU 62 -0.503 10.073 -1.909 467 HG LEU 62 HG LEU 62 0.190 12.132 -4.014 468 HD11 LEU 62 1HD1 LEU 62 0.363 13.049 -1.753 469 HD12 LEU 62 2HD1 LEU 62 1.949 12.849 -2.495 470 HD13 LEU 62 3HD1 LEU 62 1.392 11.697 -1.279 471 HD21 LEU 62 3HD2 LEU 62 2.370 10.979 -4.061 472 HD22 LEU 62 1HD2 LEU 62 1.046 9.940 -4.587 473 HD23 LEU 62 2HD2 LEU 62 1.726 9.750 -2.971 474 H VAL 63 H VAL 63 -3.770 10.725 -2.718 475 HA VAL 63 HA VAL 63 -4.370 8.455 -1.135 476 HB VAL 63 HB VAL 63 -6.257 10.630 -2.081 477 HG11 VAL 63 1HG1 VAL 63 -7.618 10.016 -0.129 478 HG12 VAL 63 2HG1 VAL 63 -6.507 8.694 0.227 479 HG13 VAL 63 3HG1 VAL 63 -7.460 8.668 -1.257 480 HG21 VAL 63 3HG2 VAL 63 -5.804 11.682 0.098 481 HG22 VAL 63 1HG2 VAL 63 -4.342 11.561 -0.883 482 HG23 VAL 63 2HG2 VAL 63 -4.609 10.433 0.448 483 H ASP 64 H ASP 64 -5.682 9.529 -4.280 484 HA ASP 64 HA ASP 64 -7.601 7.450 -4.473 485 HB2 ASP 64 2HB ASP 64 -7.650 9.664 -5.692 486 HB3 ASP 64 3HB ASP 64 -6.430 9.010 -6.782 487 H THR 65 H THR 65 -4.306 7.768 -5.784 488 HA THR 65 HA THR 65 -4.298 5.364 -7.279 489 HB THR 65 HB THR 65 -1.915 6.714 -5.970 490 HG1 THR 65 HG1 THR 65 -2.975 8.109 -7.427 491 HG21 THR 65 3HG2 THR 65 -1.447 4.397 -6.677 492 HG22 THR 65 1HG2 THR 65 -0.577 5.568 -7.668 493 HG23 THR 65 2HG2 THR 65 -2.025 4.782 -8.298 494 H GLY 66 H GLY 66 -3.272 6.057 -3.930 495 HA2 GLY 66 2HA GLY 66 -2.601 3.393 -3.237 496 HA3 GLY 66 3HA GLY 66 -3.036 4.668 -2.109 497 H HIS 67 H HIS 67 -5.658 5.023 -3.507 498 HA HIS 67 HA HIS 67 -7.233 3.390 -1.847 499 HB2 HIS 67 2HB HIS 67 -7.910 5.612 -2.787 500 HB3 HIS 67 3HB HIS 67 -8.126 4.838 -4.352 501 HD1 HIS 67 HD1 HIS 67 -10.343 3.761 -4.787 502 HD2 HIS 67 HD2 HIS 67 -9.777 4.660 -0.769 503 HE1 HIS 67 HE1 HIS 67 -12.552 3.320 -3.683 504 HE2 HIS 67 HE2 HIS 67 -12.234 4.048 -1.297 505 H GLN 68 H GLN 68 -6.269 2.986 -5.254 506 HA GLN 68 HA GLN 68 -7.915 0.636 -5.589 507 HB2 GLN 68 2HB GLN 68 -6.876 0.383 -7.769 508 HB3 GLN 68 3HB GLN 68 -7.357 2.055 -7.525 509 HG2 GLN 68 2HG GLN 68 -5.062 2.682 -7.057 510 HG3 GLN 68 3HG GLN 68 -4.550 1.002 -7.194 511 HE21 GLN 68 1HE2 GLN 68 -6.310 0.482 -9.474 512 HE22 GLN 68 2HE2 GLN 68 -5.567 1.254 -10.824 513 H LEU 69 H LEU 69 -4.627 1.284 -4.576 514 HA LEU 69 HA LEU 69 -3.520 -1.272 -4.763 515 HB2 LEU 69 2HB LEU 69 -3.006 1.133 -3.122 516 HB3 LEU 69 3HB LEU 69 -2.422 -0.367 -2.432 517 HG LEU 69 HG LEU 69 -0.674 0.790 -3.719 518 HD11 LEU 69 1HD1 LEU 69 0.041 -1.099 -5.098 519 HD12 LEU 69 2HD1 LEU 69 -1.580 -1.789 -5.005 520 HD13 LEU 69 3HD1 LEU 69 -0.598 -1.643 -3.547 521 HD21 LEU 69 3HD2 LEU 69 -2.498 0.372 -6.093 522 HD22 LEU 69 1HD2 LEU 69 -0.829 0.941 -6.162 523 HD23 LEU 69 2HD2 LEU 69 -2.062 1.920 -5.368 524 H LEU 70 H LEU 70 -5.693 0.072 -2.323 525 HA LEU 70 HA LEU 70 -5.690 -2.016 -0.477 526 HB2 LEU 70 2HB LEU 70 -7.641 0.089 -1.255 527 HB3 LEU 70 3HB LEU 70 -8.256 -1.242 -0.297 528 HG LEU 70 HG LEU 70 -7.609 0.721 1.070 529 HD11 LEU 70 1HD1 LEU 70 -5.929 -1.741 1.553 530 HD12 LEU 70 2HD1 LEU 70 -7.601 -1.504 2.062 531 HD13 LEU 70 3HD1 LEU 70 -6.323 -0.505 2.748 532 HD21 LEU 70 3HD2 LEU 70 -5.747 1.542 -0.262 533 HD22 LEU 70 1HD2 LEU 70 -4.808 0.100 0.125 534 HD23 LEU 70 2HD2 LEU 70 -5.234 1.244 1.399 535 H ASP 71 H ASP 71 -7.441 -1.768 -3.555 536 HA ASP 71 HA ASP 71 -8.981 -4.133 -3.249 537 HB2 ASP 71 2HB ASP 71 -9.565 -2.495 -4.947 538 HB3 ASP 71 3HB ASP 71 -8.011 -2.719 -5.747 539 H TYR 72 H TYR 72 -5.980 -3.562 -5.099 540 HA TYR 72 HA TYR 72 -5.433 -6.213 -5.764 541 HB2 TYR 72 2HB TYR 72 -3.639 -3.809 -5.427 542 HB3 TYR 72 3HB TYR 72 -3.006 -5.375 -5.932 543 HD1 TYR 72 HD1 TYR 72 -5.793 -3.028 -6.837 544 HD2 TYR 72 HD2 TYR 72 -2.829 -5.766 -8.213 545 HE1 TYR 72 HE1 TYR 72 -6.445 -2.562 -9.161 546 HE2 TYR 72 HE2 TYR 72 -3.476 -5.301 -10.539 547 HH TYR 72 HH TYR 72 -5.511 -2.704 -11.405 548 H CYS 73 H CYS 73 -4.699 -4.464 -2.810 549 HA CYS 73 HA CYS 73 -2.994 -6.471 -1.691 550 HB2 CYS 73 2HB CYS 73 -4.514 -4.200 -0.389 551 HB3 CYS 73 3HB CYS 73 -3.369 -5.236 0.455 552 HG CYS 73 HG CYS 73 -2.522 -3.290 -2.224 553 H SER 74 H SER 74 -6.404 -5.582 -1.080 554 HA SER 74 HA SER 74 -6.943 -7.598 0.809 555 HB2 SER 74 2HB SER 74 -9.318 -7.177 0.363 556 HB3 SER 74 3HB SER 74 -8.433 -5.654 0.450 557 HG SER 74 HG SER 74 -8.537 -5.469 -1.758 558 H GLY 75 H GLY 75 -7.042 -7.615 -2.701 559 HA2 GLY 75 2HA GLY 75 -8.245 -10.202 -2.953 560 HA3 GLY 75 3HA GLY 75 -7.440 -9.296 -4.224 561 H TYR 76 H TYR 76 -4.872 -9.066 -3.414 562 HA TYR 76 HA TYR 76 -3.824 -11.575 -4.097 563 HB2 TYR 76 2HB TYR 76 -2.676 -9.390 -4.468 564 HB3 TYR 76 3HB TYR 76 -2.328 -9.317 -2.744 565 HD1 TYR 76 HD2 TYR 76 -1.671 -11.245 -5.841 566 HD2 TYR 76 HD1 TYR 76 -0.467 -10.495 -1.827 567 HE1 TYR 76 HE2 TYR 76 0.379 -12.548 -6.219 568 HE2 TYR 76 HE1 TYR 76 1.588 -11.795 -2.194 569 HH TYR 76 HH TYR 76 2.429 -13.533 -3.656 570 H VAL 77 H VAL 77 -4.171 -10.058 -0.896 571 HA VAL 77 HA VAL 77 -2.632 -11.898 0.564 572 HB VAL 77 HB VAL 77 -3.484 -9.708 1.430 573 HG11 VAL 77 1HG1 VAL 77 -5.808 -9.874 0.742 574 HG12 VAL 77 2HG1 VAL 77 -5.698 -9.638 2.486 575 HG13 VAL 77 3HG1 VAL 77 -6.053 -11.238 1.835 576 HG21 VAL 77 3HG2 VAL 77 -2.459 -11.387 2.902 577 HG22 VAL 77 1HG2 VAL 77 -4.051 -12.089 3.195 578 HG23 VAL 77 2HG2 VAL 77 -3.696 -10.448 3.736 579 H ASP 78 H ASP 78 -5.952 -12.091 -0.564 580 HA ASP 78 HA ASP 78 -6.728 -14.355 0.981 581 HB2 ASP 78 2HB ASP 78 -8.297 -12.740 -0.109 582 HB3 ASP 78 3HB ASP 78 -7.835 -13.400 -1.675 583 H CYS 79 H CYS 79 -4.752 -13.972 -1.796 584 HA CYS 79 HA CYS 79 -4.973 -16.788 -2.586 585 HB2 CYS 79 2HB CYS 79 -3.490 -14.474 -3.853 586 HB3 CYS 79 3HB CYS 79 -3.510 -16.117 -4.489 587 HG CYS 79 HG CYS 79 -5.485 -13.760 -5.289 588 H ILE 80 H ILE 80 -3.327 -15.251 -0.243 589 HA ILE 80 HA ILE 80 -0.770 -16.630 -0.651 590 HB ILE 80 HB ILE 80 -1.627 -14.783 1.592 591 HG12 ILE 80 2HG1 ILE 80 0.169 -14.267 -0.801 592 HG13 ILE 80 3HG1 ILE 80 -1.462 -13.640 -0.589 593 HG21 ILE 80 1HG2 ILE 80 0.738 -14.727 2.216 594 HG22 ILE 80 2HG2 ILE 80 1.114 -15.884 0.940 595 HG23 ILE 80 3HG2 ILE 80 0.104 -16.371 2.302 596 HD11 ILE 80 3HD1 ILE 80 -0.710 -12.364 1.361 597 HD12 ILE 80 1HD1 ILE 80 0.195 -11.946 -0.093 598 HD13 ILE 80 2HD1 ILE 80 0.926 -12.985 1.129 599 HA PRO 81 HA PRO 81 -2.625 -19.983 1.838 600 HB2 PRO 81 2HB PRO 81 -0.188 -21.435 1.021 601 HB3 PRO 81 3HB PRO 81 -1.883 -21.850 0.749 602 HG2 PRO 81 2HG PRO 81 -0.294 -21.032 -1.262 603 HG3 PRO 81 3HG PRO 81 -2.015 -20.598 -1.200 604 HD2 PRO 81 2HD PRO 81 0.385 -18.950 -0.447 605 HD3 PRO 81 3HD PRO 81 -1.058 -18.481 -1.374 606 H GLN 82 H GLN 82 0.659 -18.727 1.951 607 HA GLN 82 HA GLN 82 1.293 -20.001 4.470 608 HB2 GLN 82 2HB GLN 82 2.808 -17.822 3.005 609 HB3 GLN 82 3HB GLN 82 3.412 -18.791 4.342 610 HG2 GLN 82 2HG GLN 82 4.381 -19.773 2.475 611 HG3 GLN 82 3HG GLN 82 3.004 -20.816 2.820 612 HE21 GLN 82 1HE2 GLN 82 2.771 -17.662 1.307 613 HE22 GLN 82 2HE2 GLN 82 2.296 -18.236 -0.248 614 H THR 83 H THR 83 0.271 -19.281 6.268 615 HA THR 83 HA THR 83 -0.932 -16.755 6.513 616 HB THR 83 HB THR 83 -0.127 -18.597 8.777 617 HG1 THR 83 HG1 THR 83 -1.571 -19.776 7.686 618 HG21 THR 83 3HG2 THR 83 -2.162 -16.356 8.651 619 HG22 THR 83 1HG2 THR 83 -0.653 -16.339 9.568 620 HG23 THR 83 2HG2 THR 83 -1.940 -17.460 10.010 621 H ARG 84 H ARG 84 2.335 -17.776 7.383 622 HA ARG 84 HA ARG 84 3.073 -15.691 9.075 623 HB2 ARG 84 2HB ARG 84 4.681 -17.219 7.030 624 HB3 ARG 84 3HB ARG 84 5.411 -16.042 8.113 625 HG2 ARG 84 2HG ARG 84 3.780 -18.315 9.194 626 HG3 ARG 84 3HG ARG 84 5.468 -18.548 8.743 627 HD2 ARG 84 2HD ARG 84 5.114 -18.042 11.164 628 HD3 ARG 84 3HD ARG 84 6.199 -16.923 10.343 629 HE ARG 84 HE ARG 84 4.414 -15.294 10.355 630 HH11 ARG 84 1HH1 ARG 84 3.990 -18.008 12.442 631 HH12 ARG 84 2HH1 ARG 84 2.789 -17.215 13.401 632 HH21 ARG 84 1HH2 ARG 84 2.905 -14.290 11.593 633 HH22 ARG 84 2HH2 ARG 84 2.186 -15.125 12.931 634 H ASN 85 H ASN 85 3.435 -15.754 5.501 635 HA ASN 85 HA ASN 85 4.099 -12.981 5.337 636 HB2 ASN 85 2HB ASN 85 3.111 -14.891 3.207 637 HB3 ASN 85 3HB ASN 85 3.703 -13.263 2.891 638 HD21 ASN 85 1HD2 ASN 85 4.767 -15.688 1.861 639 HD22 ASN 85 2HD2 ASN 85 6.388 -15.821 2.430 640 H LYS 86 H LYS 86 1.080 -14.799 5.058 641 HA LYS 86 HA LYS 86 -0.564 -12.775 4.031 642 HB2 LYS 86 2HB LYS 86 -1.222 -15.152 4.171 643 HB3 LYS 86 3HB LYS 86 -1.326 -15.020 5.920 644 HG2 LYS 86 2HG LYS 86 -3.183 -13.501 5.759 645 HG3 LYS 86 3HG LYS 86 -3.004 -13.402 4.008 646 HD2 LYS 86 2HD LYS 86 -4.858 -14.867 4.597 647 HD3 LYS 86 3HD LYS 86 -3.571 -15.782 3.812 648 HE2 LYS 86 2HE LYS 86 -2.792 -16.552 6.004 649 HE3 LYS 86 3HE LYS 86 -4.084 -15.638 6.783 650 HZ1 LYS 86 3HZ LYS 86 -4.644 -17.982 6.530 651 HZ2 LYS 86 1HZ LYS 86 -4.484 -17.859 4.850 652 HZ3 LYS 86 2HZ LYS 86 -5.704 -17.005 5.653 653 H PHE 87 H PHE 87 0.313 -13.509 7.381 654 HA PHE 87 HA PHE 87 -1.410 -11.613 8.602 655 HB2 PHE 87 2HB PHE 87 -0.378 -13.530 9.810 656 HB3 PHE 87 3HB PHE 87 1.193 -12.751 9.661 657 HD1 PHE 87 HD2 PHE 87 -2.164 -12.437 11.176 658 HD2 PHE 87 HD1 PHE 87 1.863 -11.053 11.171 659 HE1 PHE 87 HE2 PHE 87 -2.581 -11.222 13.273 660 HE2 PHE 87 HE1 PHE 87 1.451 -9.834 13.267 661 HZ PHE 87 HZ PHE 87 -0.772 -9.919 14.321 662 H ALA 88 H ALA 88 2.068 -11.514 7.799 663 HA ALA 88 HA ALA 88 2.587 -8.874 8.561 664 HB1 ALA 88 3HB ALA 88 4.537 -8.994 7.116 665 HB2 ALA 88 1HB ALA 88 3.861 -10.394 6.280 666 HB3 ALA 88 2HB ALA 88 4.329 -10.520 7.976 667 H PHE 89 H PHE 89 1.257 -10.178 5.580 668 HA PHE 89 HA PHE 89 1.223 -7.776 4.086 669 HB2 PHE 89 2HB PHE 89 0.909 -10.206 3.276 670 HB3 PHE 89 3HB PHE 89 -0.768 -10.025 3.773 671 HD1 PHE 89 HD1 PHE 89 -2.155 -8.204 2.692 672 HD2 PHE 89 HD2 PHE 89 1.657 -9.389 1.210 673 HE1 PHE 89 HE1 PHE 89 -2.688 -7.202 0.515 674 HE2 PHE 89 HE2 PHE 89 1.127 -8.384 -0.967 675 HZ PHE 89 HZ PHE 89 -1.049 -7.287 -1.319 676 H ARG 90 H ARG 90 -1.296 -9.383 6.059 677 HA ARG 90 HA ARG 90 -3.321 -7.487 5.684 678 HB2 ARG 90 2HB ARG 90 -2.769 -9.413 7.931 679 HB3 ARG 90 3HB ARG 90 -4.146 -8.322 7.981 680 HG2 ARG 90 2HG ARG 90 -3.607 -10.469 5.936 681 HG3 ARG 90 3HG ARG 90 -4.850 -10.474 7.189 682 HD2 ARG 90 2HD ARG 90 -4.688 -8.754 4.722 683 HD3 ARG 90 3HD ARG 90 -5.955 -9.887 5.180 684 HE ARG 90 HE ARG 90 -5.580 -7.176 6.187 685 HH11 ARG 90 1HH1 ARG 90 -7.300 -10.147 6.462 686 HH12 ARG 90 2HH1 ARG 90 -8.654 -9.410 7.236 687 HH21 ARG 90 1HH2 ARG 90 -7.325 -6.244 7.156 688 HH22 ARG 90 2HH2 ARG 90 -8.669 -7.226 7.627 689 H GLU 91 H GLU 91 -0.863 -7.643 8.288 690 HA GLU 91 HA GLU 91 -1.795 -5.322 9.618 691 HB2 GLU 91 2HB GLU 91 0.236 -5.389 10.903 692 HB3 GLU 91 3HB GLU 91 -0.321 -7.038 10.663 693 HG2 GLU 91 2HG GLU 91 1.349 -7.379 8.937 694 HG3 GLU 91 3HG GLU 91 1.882 -5.708 9.095 695 H ALA 92 H ALA 92 0.731 -5.785 7.146 696 HA ALA 92 HA ALA 92 1.680 -3.157 7.002 697 HB1 ALA 92 3HB ALA 92 2.439 -3.726 4.744 698 HB2 ALA 92 1HB ALA 92 1.425 -5.168 4.763 699 HB3 ALA 92 2HB ALA 92 2.780 -5.030 5.882 700 H VAL 93 H VAL 93 -1.006 -4.677 5.202 701 HA VAL 93 HA VAL 93 -1.827 -2.369 3.798 702 HB VAL 93 HB VAL 93 -3.449 -4.771 4.677 703 HG11 VAL 93 1HG1 VAL 93 -4.949 -2.909 4.212 704 HG12 VAL 93 2HG1 VAL 93 -5.057 -4.112 2.927 705 HG13 VAL 93 3HG1 VAL 93 -4.149 -2.622 2.665 706 HG21 VAL 93 3HG2 VAL 93 -1.570 -5.307 3.210 707 HG22 VAL 93 1HG2 VAL 93 -2.125 -4.105 2.045 708 HG23 VAL 93 2HG2 VAL 93 -3.107 -5.535 2.372 709 H SER 94 H SER 94 -2.832 -3.670 6.948 710 HA SER 94 HA SER 94 -4.787 -1.779 7.601 711 HB2 SER 94 2HB SER 94 -2.863 -3.219 9.454 712 HB3 SER 94 3HB SER 94 -4.306 -2.352 9.980 713 HG SER 94 HG SER 94 -4.548 -4.347 8.012 714 H LYS 95 H LYS 95 -1.300 -1.559 7.666 715 HA LYS 95 HA LYS 95 -1.159 0.922 9.082 716 HB2 LYS 95 2HB LYS 95 0.827 -0.296 7.141 717 HB3 LYS 95 3HB LYS 95 1.160 1.013 8.268 718 HG2 LYS 95 2HG LYS 95 0.917 -0.442 10.147 719 HG3 LYS 95 3HG LYS 95 0.307 -1.744 9.126 720 HD2 LYS 95 2HD LYS 95 2.510 -1.761 7.940 721 HD3 LYS 95 3HD LYS 95 3.103 -0.593 9.120 722 HE2 LYS 95 2HE LYS 95 2.113 -3.391 9.701 723 HE3 LYS 95 3HE LYS 95 3.792 -2.853 9.728 724 HZ1 LYS 95 3HZ LYS 95 1.621 -1.988 11.555 725 HZ2 LYS 95 1HZ LYS 95 3.173 -1.319 11.535 726 HZ3 LYS 95 2HZ LYS 95 2.957 -2.941 11.944 727 H LEU 96 H LEU 96 -1.115 0.036 5.638 728 HA LEU 96 HA LEU 96 -0.689 2.597 4.571 729 HB2 LEU 96 2HB LEU 96 -0.406 0.552 3.277 730 HB3 LEU 96 3HB LEU 96 -2.125 0.223 3.381 731 HG LEU 96 HG LEU 96 -2.574 2.273 2.040 732 HD11 LEU 96 1HD1 LEU 96 0.435 2.386 1.795 733 HD12 LEU 96 2HD1 LEU 96 -0.601 3.568 2.597 734 HD13 LEU 96 3HD1 LEU 96 -0.707 3.346 0.852 735 HD21 LEU 96 3HD2 LEU 96 -0.690 0.306 0.732 736 HD22 LEU 96 1HD2 LEU 96 -1.829 1.365 -0.100 737 HD23 LEU 96 2HD2 LEU 96 -2.426 0.084 0.955 738 H GLU 97 H GLU 97 -3.784 0.846 5.012 739 HA GLU 97 HA GLU 97 -5.415 2.889 3.965 740 HB2 GLU 97 2HB GLU 97 -7.294 1.728 5.079 741 HB3 GLU 97 3HB GLU 97 -6.257 0.638 4.171 742 HG2 GLU 97 2HG GLU 97 -5.192 -0.095 6.236 743 HG3 GLU 97 3HG GLU 97 -6.193 1.022 7.162 744 H LEU 98 H LEU 98 -4.370 2.273 7.308 745 HA LEU 98 HA LEU 98 -5.841 4.341 8.532 746 HB2 LEU 98 2HB LEU 98 -3.466 2.715 9.258 747 HB3 LEU 98 3HB LEU 98 -3.653 4.228 10.121 748 HG LEU 98 HG LEU 98 -4.623 2.300 11.333 749 HD11 LEU 98 1HD1 LEU 98 -6.645 4.354 10.434 750 HD12 LEU 98 2HD1 LEU 98 -5.479 4.541 11.746 751 HD13 LEU 98 3HD1 LEU 98 -6.765 3.343 11.875 752 HD21 LEU 98 3HD2 LEU 98 -5.363 0.983 9.396 753 HD22 LEU 98 1HD2 LEU 98 -6.601 2.191 9.048 754 HD23 LEU 98 2HD2 LEU 98 -6.679 1.251 10.540 755 H SER 99 H SER 99 -2.554 4.347 7.151 756 HA SER 99 HA SER 99 -2.017 7.059 7.756 757 HB2 SER 99 2HB SER 99 -0.836 5.252 5.637 758 HB3 SER 99 3HB SER 99 -0.219 6.859 6.022 759 HG SER 99 HG SER 99 -0.321 5.773 8.317 760 H LEU 100 H LEU 100 -3.665 5.539 5.038 761 HA LEU 100 HA LEU 100 -3.771 7.862 3.393 762 HB2 LEU 100 2HB LEU 100 -5.427 5.344 3.476 763 HB3 LEU 100 3HB LEU 100 -5.729 6.622 2.311 764 HG LEU 100 HG LEU 100 -3.105 5.125 2.561 765 HD11 LEU 100 1HD1 LEU 100 -4.894 3.635 1.806 766 HD12 LEU 100 2HD1 LEU 100 -3.746 3.969 0.511 767 HD13 LEU 100 3HD1 LEU 100 -5.316 4.776 0.530 768 HD21 LEU 100 3HD2 LEU 100 -2.615 6.164 0.379 769 HD22 LEU 100 1HD2 LEU 100 -2.830 7.361 1.656 770 HD23 LEU 100 2HD2 LEU 100 -4.121 7.077 0.488 771 H GLN 101 H GLN 101 -6.059 6.520 5.788 772 HA GLN 101 HA GLN 101 -8.034 8.532 5.323 773 HB2 GLN 101 2HB GLN 101 -9.166 7.668 7.299 774 HB3 GLN 101 3HB GLN 101 -8.638 6.354 6.262 775 HG2 GLN 101 2HG GLN 101 -6.708 5.984 7.757 776 HG3 GLN 101 3HG GLN 101 -7.316 7.255 8.819 777 HE21 GLN 101 1HE2 GLN 101 -9.182 6.862 10.032 778 HE22 GLN 101 2HE2 GLN 101 -9.803 5.270 10.268 779 H GLU 102 H GLU 102 -5.344 8.268 7.634 780 HA GLU 102 HA GLU 102 -6.042 10.697 9.003 781 HB2 GLU 102 2HB GLU 102 -3.984 10.494 10.190 782 HB3 GLU 102 3HB GLU 102 -4.613 8.863 9.995 783 HG2 GLU 102 2HG GLU 102 -3.063 8.472 8.156 784 HG3 GLU 102 3HG GLU 102 -2.445 10.114 8.313 785 H LEU 103 H LEU 103 -4.056 9.886 6.214 786 HA LEU 103 HA LEU 103 -2.594 12.229 5.886 787 HB2 LEU 103 2HB LEU 103 -2.181 10.287 4.514 788 HB3 LEU 103 3HB LEU 103 -3.786 10.381 3.817 789 HG LEU 103 HG LEU 103 -3.161 12.525 2.726 790 HD11 LEU 103 1HD1 LEU 103 -0.395 11.921 3.769 791 HD12 LEU 103 2HD1 LEU 103 -1.433 13.250 4.287 792 HD13 LEU 103 3HD1 LEU 103 -0.823 13.202 2.634 793 HD21 LEU 103 3HD2 LEU 103 -1.680 11.541 1.028 794 HD22 LEU 103 1HD2 LEU 103 -2.988 10.447 1.480 795 HD23 LEU 103 2HD2 LEU 103 -1.360 10.181 2.105 796 H GLN 104 H GLN 104 -5.719 11.458 4.332 797 HA GLN 104 HA GLN 104 -6.040 13.843 2.959 798 HB2 GLN 104 2HB GLN 104 -8.456 13.258 2.857 799 HB3 GLN 104 3HB GLN 104 -7.383 11.929 2.433 800 HG2 GLN 104 2HG GLN 104 -7.674 10.987 4.682 801 HG3 GLN 104 3HG GLN 104 -8.779 12.303 5.079 802 HE21 GLN 104 1HE2 GLN 104 -8.350 9.381 3.257 803 HE22 GLN 104 2HE2 GLN 104 -10.012 9.158 2.849 804 H VAL 105 H VAL 105 -6.558 13.297 6.361 805 HA VAL 105 HA VAL 105 -7.917 15.895 6.628 806 HB VAL 105 HB VAL 105 -8.442 15.269 8.920 807 HG11 VAL 105 1HG1 VAL 105 -9.943 13.384 8.484 808 HG12 VAL 105 2HG1 VAL 105 -9.085 13.042 6.982 809 HG13 VAL 105 3HG1 VAL 105 -9.977 14.554 7.164 810 HG21 VAL 105 3HG2 VAL 105 -6.439 14.000 9.486 811 HG22 VAL 105 1HG2 VAL 105 -6.911 12.720 8.369 812 HG23 VAL 105 2HG2 VAL 105 -7.883 13.038 9.806 813 H SER 106 H SER 106 -4.833 14.400 7.158 814 HA SER 106 HA SER 106 -3.975 16.574 8.956 815 HB2 SER 106 2HB SER 106 -2.607 13.942 8.334 816 HB3 SER 106 3HB SER 106 -2.014 15.160 9.461 817 HG SER 106 HG SER 106 -4.175 13.400 9.701 818 H SER 107 H SER 107 -3.881 15.902 5.691 819 HA SER 107 HA SER 107 -1.166 16.838 5.224 820 HB2 SER 107 2HB SER 107 -1.585 16.416 2.883 821 HB3 SER 107 3HB SER 107 -2.164 15.045 3.826 822 HG SER 107 HG SER 107 -3.515 16.297 2.054 823 H ALA 108 H ALA 108 -4.330 17.905 3.924 824 HA ALA 108 HA ALA 108 -5.205 19.952 3.469 825 HB1 ALA 108 3HB ALA 108 -4.783 20.380 5.840 826 HB2 ALA 108 1HB ALA 108 -4.582 21.844 4.877 827 HB3 ALA 108 2HB ALA 108 -3.164 20.965 5.450 828 H ALA 109 H ALA 109 -2.537 18.966 2.167 829 HA ALA 109 HA ALA 109 -1.616 21.530 1.046 830 HB1 ALA 109 3HB ALA 109 0.344 20.292 0.264 831 HB2 ALA 109 1HB ALA 109 -0.335 18.796 0.907 832 HB3 ALA 109 2HB ALA 109 0.122 20.099 2.003 833 H ALA 110 H ALA 110 -1.348 21.774 -1.222 834 HA ALA 110 HA ALA 110 -3.268 20.341 -2.857 835 HB1 ALA 110 3HB ALA 110 -1.332 22.549 -3.582 836 HB2 ALA 110 1HB ALA 110 -3.022 22.757 -3.119 837 HB3 ALA 110 2HB ALA 110 -2.614 21.926 -4.621 838 H GLY 111 H GLY 111 0.230 21.026 -3.236 839 HA2 GLY 111 2HA GLY 111 0.732 18.257 -4.012 840 HA3 GLY 111 3HA GLY 111 0.986 19.455 -5.271 841 H VAL 112 H VAL 112 1.714 19.526 -1.787 842 HA VAL 112 HA VAL 112 4.405 20.498 -2.401 843 HB VAL 112 HB VAL 112 3.030 20.272 0.287 844 HG11 VAL 112 1HG1 VAL 112 5.458 20.351 0.471 845 HG12 VAL 112 2HG1 VAL 112 4.751 21.862 1.043 846 HG13 VAL 112 3HG1 VAL 112 5.510 21.789 -0.549 847 HG21 VAL 112 3HG2 VAL 112 3.260 22.654 -1.564 848 HG22 VAL 112 1HG2 VAL 112 2.621 22.692 0.080 849 HG23 VAL 112 2HG2 VAL 112 1.783 21.774 -1.169 850 HA PRO 113 HA PRO 113 5.890 16.285 -1.786 851 HB2 PRO 113 2HB PRO 113 8.550 16.855 -2.075 852 HB3 PRO 113 3HB PRO 113 7.435 16.678 -3.435 853 HG2 PRO 113 2HG PRO 113 8.411 19.184 -2.100 854 HG3 PRO 113 3HG PRO 113 8.244 18.831 -3.831 855 HD2 PRO 113 2HD PRO 113 6.415 20.291 -2.496 856 HD3 PRO 113 3HD PRO 113 5.949 19.189 -3.810 857 H GLY 114 H GLY 114 5.987 15.373 0.169 858 HA2 GLY 114 2HA GLY 114 6.674 14.874 2.306 859 HA3 GLY 114 3HA GLY 114 8.028 15.964 2.062 860 H THR 115 H THR 115 4.739 17.119 1.728 861 HA THR 115 HA THR 115 5.025 19.190 3.600 862 HB THR 115 HB THR 115 3.332 19.432 1.937 863 HG1 THR 115 HG1 THR 115 2.877 19.904 4.437 864 HG21 THR 115 3HG2 THR 115 2.780 17.090 1.553 865 HG22 THR 115 1HG2 THR 115 1.312 18.017 1.864 866 HG23 THR 115 2HG2 THR 115 1.995 16.998 3.129 867 H ASN 116 H ASN 116 3.792 15.912 4.037 868 HA ASN 116 HA ASN 116 3.749 16.383 6.941 869 HB2 ASN 116 2HB ASN 116 1.719 14.944 7.129 870 HB3 ASN 116 3HB ASN 116 1.420 16.447 6.261 871 HD21 ASN 116 1HD2 ASN 116 0.895 16.370 4.112 872 HD22 ASN 116 2HD2 ASN 116 0.545 14.897 3.280 873 HA PRO 117 HA PRO 117 6.320 12.756 7.244 874 HB2 PRO 117 2HB PRO 117 4.752 12.202 9.726 875 HB3 PRO 117 3HB PRO 117 6.502 12.325 9.503 876 HG2 PRO 117 2HG PRO 117 5.160 14.299 10.671 877 HG3 PRO 117 3HG PRO 117 6.473 14.654 9.532 878 HD2 PRO 117 2HD PRO 117 3.508 14.778 9.104 879 HD3 PRO 117 3HD PRO 117 4.776 15.880 8.527 880 H VAL 118 H VAL 118 2.832 12.542 7.482 881 HA VAL 118 HA VAL 118 2.458 9.776 7.490 882 HB VAL 118 HB VAL 118 0.718 11.822 6.087 883 HG11 VAL 118 1HG1 VAL 118 0.170 9.536 5.450 884 HG12 VAL 118 2HG1 VAL 118 -1.101 10.215 6.465 885 HG13 VAL 118 3HG1 VAL 118 0.054 9.069 7.148 886 HG21 VAL 118 3HG2 VAL 118 0.631 10.856 8.955 887 HG22 VAL 118 1HG2 VAL 118 -0.545 11.927 8.192 888 HG23 VAL 118 2HG2 VAL 118 1.121 12.461 8.409 889 H LEU 119 H LEU 119 3.138 11.959 4.781 890 HA LEU 119 HA LEU 119 2.737 10.224 2.629 891 HB2 LEU 119 2HB LEU 119 4.881 12.331 2.948 892 HB3 LEU 119 3HB LEU 119 4.394 11.607 1.425 893 HG LEU 119 HG LEU 119 2.615 13.293 3.199 894 HD11 LEU 119 1HD1 LEU 119 2.816 15.000 1.475 895 HD12 LEU 119 2HD1 LEU 119 3.944 13.983 0.579 896 HD13 LEU 119 3HD1 LEU 119 4.391 14.614 2.166 897 HD21 LEU 119 3HD2 LEU 119 1.344 11.636 1.938 898 HD22 LEU 119 1HD2 LEU 119 2.131 12.150 0.444 899 HD23 LEU 119 2HD2 LEU 119 1.058 13.255 1.302 900 H ASN 120 H ASN 120 5.639 10.650 4.637 901 HA ASN 120 HA ASN 120 7.220 8.689 3.323 902 HB2 ASN 120 2HB ASN 120 8.206 10.438 4.728 903 HB3 ASN 120 3HB ASN 120 7.394 9.783 6.145 904 HD21 ASN 120 1HD2 ASN 120 9.343 9.491 7.209 905 HD22 ASN 120 2HD2 ASN 120 10.444 8.230 6.788 906 H ASN 121 H ASN 121 4.939 8.551 6.027 907 HA ASN 121 HA ASN 121 5.403 5.876 6.796 908 HB2 ASN 121 2HB ASN 121 2.825 7.466 6.936 909 HB3 ASN 121 3HB ASN 121 3.138 5.957 7.791 910 HD21 ASN 121 1HD2 ASN 121 2.462 8.459 8.981 911 HD22 ASN 121 2HD2 ASN 121 3.787 8.910 9.986 912 H LEU 122 H LEU 122 3.257 7.274 4.330 913 HA LEU 122 HA LEU 122 2.035 4.925 3.430 914 HB2 LEU 122 2HB LEU 122 2.859 7.383 1.875 915 HB3 LEU 122 3HB LEU 122 1.874 6.096 1.207 916 HG LEU 122 HG LEU 122 1.116 7.890 3.522 917 HD11 LEU 122 1HD1 LEU 122 0.026 7.735 0.709 918 HD12 LEU 122 2HD1 LEU 122 1.066 9.012 1.343 919 HD13 LEU 122 3HD1 LEU 122 -0.554 8.789 1.999 920 HD21 LEU 122 3HD2 LEU 122 0.201 5.645 3.805 921 HD22 LEU 122 1HD2 LEU 122 -0.457 5.695 2.169 922 HD23 LEU 122 2HD2 LEU 122 -1.072 6.797 3.401 923 H LEU 123 H LEU 123 5.042 6.452 2.255 924 HA LEU 123 HA LEU 123 5.824 4.566 0.386 925 HB2 LEU 123 2HB LEU 123 6.968 6.722 0.802 926 HB3 LEU 123 3HB LEU 123 7.626 6.074 2.293 927 HG LEU 123 HG LEU 123 8.880 4.379 0.981 928 HD11 LEU 123 1HD1 LEU 123 7.818 5.881 -1.418 929 HD12 LEU 123 2HD1 LEU 123 7.426 4.222 -0.964 930 HD13 LEU 123 3HD1 LEU 123 9.068 4.636 -1.455 931 HD21 LEU 123 3HD2 LEU 123 10.545 5.921 0.056 932 HD22 LEU 123 1HD2 LEU 123 9.962 6.467 1.628 933 HD23 LEU 123 2HD2 LEU 123 9.381 7.243 0.154 934 H SER 124 H SER 124 6.602 4.594 3.865 935 HA SER 124 HA SER 124 8.060 2.218 4.002 936 HB2 SER 124 2HB SER 124 7.944 3.805 5.868 937 HB3 SER 124 3HB SER 124 6.240 3.426 6.107 938 HG SER 124 HG SER 124 7.745 2.293 7.526 939 H CYS 125 H CYS 125 4.553 2.699 4.443 940 HA CYS 125 HA CYS 125 3.930 0.001 4.994 941 HB2 CYS 125 2HB CYS 125 2.163 2.165 3.824 942 HB3 CYS 125 3HB CYS 125 1.593 0.636 4.487 943 HG CYS 125 HG CYS 125 2.579 3.426 6.080 944 H VAL 126 H VAL 126 3.692 1.830 1.935 945 HA VAL 126 HA VAL 126 2.660 -0.228 0.341 946 HB VAL 126 HB VAL 126 4.431 2.081 -0.496 947 HG11 VAL 126 1HG1 VAL 126 4.399 0.335 -2.213 948 HG12 VAL 126 2HG1 VAL 126 3.498 1.755 -2.746 949 HG13 VAL 126 3HG1 VAL 126 2.636 0.323 -2.181 950 HG21 VAL 126 3HG2 VAL 126 1.422 1.806 -0.456 951 HG22 VAL 126 1HG2 VAL 126 2.321 3.179 -1.104 952 HG23 VAL 126 2HG2 VAL 126 2.390 2.815 0.619 953 H GLN 127 H GLN 127 6.068 0.719 0.869 954 HA GLN 127 HA GLN 127 7.212 -1.204 -0.830 955 HB2 GLN 127 2HB GLN 127 8.332 0.143 1.636 956 HB3 GLN 127 3HB GLN 127 9.285 -0.885 0.572 957 HG2 GLN 127 2HG GLN 127 8.794 0.645 -1.301 958 HG3 GLN 127 3HG GLN 127 7.918 1.693 -0.187 959 HE21 GLN 127 1HE2 GLN 127 10.288 2.234 -1.808 960 HE22 GLN 127 2HE2 GLN 127 11.508 2.745 -0.699 961 H GLU 128 H GLU 128 6.377 -1.392 2.626 962 HA GLU 128 HA GLU 128 7.411 -3.972 3.090 963 HB2 GLU 128 2HB GLU 128 6.689 -2.373 4.865 964 HB3 GLU 128 3HB GLU 128 5.017 -2.694 4.432 965 HG2 GLU 128 2HG GLU 128 5.617 -3.963 6.389 966 HG3 GLU 128 3HG GLU 128 5.317 -5.055 5.040 967 H ILE 129 H ILE 129 4.084 -2.961 2.226 968 HA ILE 129 HA ILE 129 2.884 -5.461 1.987 969 HB ILE 129 HB ILE 129 2.406 -3.015 0.262 970 HG12 ILE 129 2HG1 ILE 129 0.975 -3.972 2.760 971 HG13 ILE 129 3HG1 ILE 129 2.101 -2.621 2.686 972 HG21 ILE 129 1HG2 ILE 129 1.506 -5.032 -0.789 973 HG22 ILE 129 2HG2 ILE 129 0.208 -3.981 -0.224 974 HG23 ILE 129 3HG2 ILE 129 0.636 -5.425 0.693 975 HD11 ILE 129 3HD1 ILE 129 -0.553 -2.794 1.274 976 HD12 ILE 129 1HD1 ILE 129 0.578 -1.443 1.178 977 HD13 ILE 129 2HD1 ILE 129 -0.190 -1.845 2.714 978 H SER 130 H SER 130 4.467 -3.585 -0.593 979 HA SER 130 HA SER 130 4.361 -5.504 -2.625 980 HB2 SER 130 2HB SER 130 6.509 -3.405 -2.184 981 HB3 SER 130 3HB SER 130 6.166 -4.233 -3.704 982 HG SER 130 HG SER 130 4.672 -2.265 -2.361 983 H ASP 131 H ASP 131 6.654 -5.074 -0.002 984 HA ASP 131 HA ASP 131 8.619 -6.891 -0.938 985 HB2 ASP 131 2HB ASP 131 8.844 -5.053 0.854 986 HB3 ASP 131 3HB ASP 131 8.144 -6.224 1.969 987 H VAL 132 H VAL 132 5.770 -7.279 1.165 988 HA VAL 132 HA VAL 132 6.208 -9.979 1.873 989 HB VAL 132 HB VAL 132 3.509 -8.672 1.429 990 HG11 VAL 132 1HG1 VAL 132 4.335 -11.035 3.124 991 HG12 VAL 132 2HG1 VAL 132 3.386 -11.093 1.635 992 HG13 VAL 132 3HG1 VAL 132 2.722 -10.323 3.075 993 HG21 VAL 132 3HG2 VAL 132 4.835 -7.313 2.956 994 HG22 VAL 132 1HG2 VAL 132 5.202 -8.735 3.931 995 HG23 VAL 132 2HG2 VAL 132 3.545 -8.139 3.829 996 H VAL 133 H VAL 133 4.820 -8.499 -1.001 997 HA VAL 133 HA VAL 133 3.990 -10.893 -2.297 998 HB VAL 133 HB VAL 133 4.877 -8.283 -3.567 999 HG11 VAL 133 1HG1 VAL 133 3.149 -10.509 -4.667 1000 HG12 VAL 133 2HG1 VAL 133 4.794 -10.122 -5.173 1001 HG13 VAL 133 3HG1 VAL 133 3.489 -8.975 -5.470 1002 HG21 VAL 133 3HG2 VAL 133 3.086 -7.910 -1.947 1003 HG22 VAL 133 1HG2 VAL 133 2.113 -9.164 -2.716 1004 HG23 VAL 133 2HG2 VAL 133 2.499 -7.683 -3.594 1005 H GLN 134 H GLN 134 7.048 -9.144 -2.126 1006 HA GLN 134 HA GLN 134 8.470 -10.733 -4.014 1007 HB2 GLN 134 2HB GLN 134 9.514 -9.113 -1.677 1008 HB3 GLN 134 3HB GLN 134 10.492 -9.753 -2.989 1009 HG2 GLN 134 2HG GLN 134 9.384 -8.329 -4.582 1010 HG3 GLN 134 3HG GLN 134 8.255 -7.768 -3.349 1011 HE21 GLN 134 1HE2 GLN 134 8.854 -5.627 -3.589 1012 HE22 GLN 134 2HE2 GLN 134 10.370 -5.018 -3.030 1013 H ARG 135 H ARG 135 7.713 -11.104 -0.625 1014 HA ARG 135 HA ARG 135 9.560 -13.181 -0.014 1015 HB2 ARG 135 2HB ARG 135 6.942 -12.388 1.280 1016 HB3 ARG 135 3HB ARG 135 8.049 -13.578 1.954 1017 HG2 ARG 135 2HG ARG 135 9.761 -11.904 2.235 1018 HG3 ARG 135 3HG ARG 135 8.770 -10.700 1.408 1019 HD2 ARG 135 2HD ARG 135 7.132 -10.761 3.188 1020 HD3 ARG 135 3HD ARG 135 7.994 -12.077 3.984 1021 HE ARG 135 HE ARG 135 9.778 -10.520 4.449 1022 HH11 ARG 135 1HH1 ARG 135 6.854 -9.069 3.368 1023 HH12 ARG 135 2HH1 ARG 135 7.191 -7.557 4.141 1024 HH21 ARG 135 1HH2 ARG 135 10.181 -8.564 5.442 1025 HH22 ARG 135 2HH2 ARG 135 9.024 -7.283 5.285 Start of MODEL 6 1 H1 MET 1 1H MET 1 -15.704 -17.942 7.731 2 H2 MET 1 2H MET 1 -16.756 -18.298 6.459 3 H3 MET 1 3H MET 1 -16.094 -16.753 6.588 4 HA MET 1 HA MET 1 -14.983 -17.973 4.855 5 HB2 MET 1 2HB MET 1 -13.266 -17.640 7.335 6 HB3 MET 1 3HB MET 1 -12.653 -17.783 5.691 7 HG2 MET 1 2HG MET 1 -13.824 -15.706 5.090 8 HG3 MET 1 3HG MET 1 -14.390 -15.560 6.753 9 HE1 MET 1 3HE MET 1 -11.289 -15.528 4.364 10 HE2 MET 1 1HE MET 1 -10.850 -16.805 5.501 11 HE3 MET 1 2HE MET 1 -9.956 -15.282 5.491 12 H GLY 2 H GLY 2 -13.622 -19.781 4.225 13 HA2 GLY 2 2HA GLY 2 -12.816 -21.968 4.406 14 HA3 GLY 2 3HA GLY 2 -13.511 -22.081 6.013 15 H HIS 3 H HIS 3 -13.740 -24.210 4.382 16 HA HIS 3 HA HIS 3 -16.566 -24.195 3.493 17 HB2 HIS 3 2HB HIS 3 -14.982 -24.309 1.598 18 HB3 HIS 3 3HB HIS 3 -14.237 -25.735 2.307 19 HD1 HIS 3 HD1 HIS 3 -15.682 -27.950 2.272 20 HD2 HIS 3 HD2 HIS 3 -17.268 -24.781 0.107 21 HE1 HIS 3 HE1 HIS 3 -17.399 -28.967 0.756 22 HE2 HIS 3 HE2 HIS 3 -18.408 -27.028 -0.479 23 H HIS 4 H HIS 4 -14.616 -25.276 5.864 24 HA HIS 4 HA HIS 4 -14.783 -28.084 5.810 25 HB2 HIS 4 2HB HIS 4 -13.093 -26.799 7.066 26 HB3 HIS 4 3HB HIS 4 -14.340 -26.255 8.181 27 HD1 HIS 4 HD1 HIS 4 -14.167 -27.482 10.314 28 HD2 HIS 4 HD2 HIS 4 -13.198 -29.899 7.075 29 HE1 HIS 4 HE1 HIS 4 -13.607 -29.722 11.290 30 HE2 HIS 4 HE2 HIS 4 -12.828 -31.097 9.335 31 H HIS 5 H HIS 5 -17.333 -25.960 6.426 32 HA HIS 5 HA HIS 5 -18.833 -28.133 7.747 33 HB2 HIS 5 2HB HIS 5 -18.198 -26.382 9.410 34 HB3 HIS 5 3HB HIS 5 -19.088 -25.197 8.463 35 HD1 HIS 5 HD1 HIS 5 -19.729 -28.408 10.395 36 HD2 HIS 5 HD2 HIS 5 -21.733 -24.993 9.144 37 HE1 HIS 5 HE1 HIS 5 -21.984 -28.524 11.475 38 HE2 HIS 5 HE2 HIS 5 -23.089 -26.350 10.879 39 H HIS 6 H HIS 6 -18.607 -26.725 4.938 40 HA HIS 6 HA HIS 6 -21.512 -26.256 4.591 41 HB2 HIS 6 2HB HIS 6 -19.182 -25.030 3.106 42 HB3 HIS 6 3HB HIS 6 -20.854 -24.887 2.577 43 HD1 HIS 6 HD1 HIS 6 -19.041 -22.471 3.416 44 HD2 HIS 6 HD2 HIS 6 -21.871 -24.323 5.829 45 HE1 HIS 6 HE1 HIS 6 -19.716 -20.745 5.110 46 HE2 HIS 6 HE2 HIS 6 -21.329 -21.926 6.629 47 H HIS 7 H HIS 7 -22.520 -27.814 3.560 48 HA HIS 7 HA HIS 7 -21.923 -28.543 0.916 49 HB2 HIS 7 2HB HIS 7 -21.280 -30.859 1.091 50 HB3 HIS 7 3HB HIS 7 -20.145 -29.916 2.045 51 HD1 HIS 7 HD1 HIS 7 -22.859 -32.459 2.342 52 HD2 HIS 7 HD2 HIS 7 -20.195 -30.441 4.805 53 HE1 HIS 7 HE1 HIS 7 -22.949 -33.653 4.540 54 HE2 HIS 7 HE2 HIS 7 -21.163 -32.566 5.930 55 H HIS 8 H HIS 8 -24.098 -27.681 2.665 56 HA HIS 8 HA HIS 8 -26.048 -29.853 2.223 57 HB2 HIS 8 2HB HIS 8 -25.391 -29.731 4.611 58 HB3 HIS 8 3HB HIS 8 -25.909 -28.051 4.658 59 HD1 HIS 8 HD1 HIS 8 -27.209 -31.545 4.657 60 HD2 HIS 8 HD2 HIS 8 -28.714 -27.673 4.727 61 HE1 HIS 8 HE1 HIS 8 -29.630 -31.777 5.268 62 HE2 HIS 8 HE2 HIS 8 -30.549 -29.442 5.167 63 H SER 9 H SER 9 -27.368 -29.115 0.658 64 HA SER 9 HA SER 9 -28.083 -26.288 0.491 65 HB2 SER 9 2HB SER 9 -28.802 -28.627 -1.299 66 HB3 SER 9 3HB SER 9 -29.251 -26.951 -1.608 67 HG SER 9 HG SER 9 -27.059 -28.131 -2.356 68 H HIS 10 H HIS 10 -30.407 -25.719 0.037 69 HA HIS 10 HA HIS 10 -32.477 -27.455 1.010 70 HB2 HIS 10 2HB HIS 10 -33.183 -26.099 2.924 71 HB3 HIS 10 3HB HIS 10 -31.543 -26.690 3.161 72 HD1 HIS 10 HD1 HIS 10 -33.545 -23.650 3.145 73 HD2 HIS 10 HD2 HIS 10 -29.520 -24.608 2.737 74 HE1 HIS 10 HE1 HIS 10 -32.300 -21.510 3.546 75 HE2 HIS 10 HE2 HIS 10 -29.875 -22.158 3.501 76 H MET 11 H MET 11 -34.608 -26.610 0.656 77 HA MET 11 HA MET 11 -34.808 -24.925 -1.621 78 HB2 MET 11 2HB MET 11 -36.919 -25.990 0.267 79 HB3 MET 11 3HB MET 11 -37.289 -25.095 -1.202 80 HG2 MET 11 2HG MET 11 -35.755 -27.686 -1.104 81 HG3 MET 11 3HG MET 11 -37.473 -27.536 -1.475 82 HE1 MET 11 3HE MET 11 -37.617 -24.919 -3.218 83 HE2 MET 11 1HE MET 11 -38.435 -26.417 -3.660 84 HE3 MET 11 2HE MET 11 -37.439 -25.572 -4.846 85 H ALA 12 H ALA 12 -33.918 -22.907 -1.147 86 HA ALA 12 HA ALA 12 -35.313 -21.257 0.862 87 HB1 ALA 12 3HB ALA 12 -32.677 -20.734 -0.516 88 HB2 ALA 12 1HB ALA 12 -32.872 -21.426 1.096 89 HB3 ALA 12 2HB ALA 12 -33.393 -19.772 0.777 90 H ASN 13 H ASN 13 -36.581 -19.608 0.266 91 HA ASN 13 HA ASN 13 -36.240 -18.291 -2.315 92 HB2 ASN 13 2HB ASN 13 -38.720 -18.483 -2.789 93 HB3 ASN 13 3HB ASN 13 -37.809 -19.980 -2.968 94 HD21 ASN 13 1HD2 ASN 13 -38.141 -21.641 -1.522 95 HD22 ASN 13 2HD2 ASN 13 -39.461 -21.660 -0.407 96 H GLY 14 H GLY 14 -37.584 -16.298 -2.481 97 HA2 GLY 14 2HA GLY 14 -38.862 -14.569 -1.396 98 HA3 GLY 14 3HA GLY 14 -38.331 -15.194 0.159 99 H ALA 15 H ALA 15 -38.063 -12.556 -1.547 100 HA ALA 15 HA ALA 15 -35.361 -12.117 -2.103 101 HB1 ALA 15 3HB ALA 15 -35.924 -9.763 -2.203 102 HB2 ALA 15 1HB ALA 15 -37.427 -10.062 -1.329 103 HB3 ALA 15 2HB ALA 15 -37.200 -10.730 -2.944 104 H ALA 16 H ALA 16 -34.020 -12.815 -0.452 105 HA ALA 16 HA ALA 16 -33.578 -10.847 1.649 106 HB1 ALA 16 3HB ALA 16 -33.417 -12.534 3.434 107 HB2 ALA 16 1HB ALA 16 -33.971 -13.773 2.306 108 HB3 ALA 16 2HB ALA 16 -35.044 -12.449 2.759 109 H GLY 17 H GLY 17 -31.704 -10.354 0.433 110 HA2 GLY 17 2HA GLY 17 -29.802 -12.435 -0.238 111 HA3 GLY 17 3HA GLY 17 -29.643 -10.724 -0.583 112 H THR 18 H THR 18 -30.054 -12.417 2.530 113 HA THR 18 HA THR 18 -28.170 -10.901 3.941 114 HB THR 18 HB THR 18 -29.044 -13.754 4.506 115 HG1 THR 18 HG1 THR 18 -30.492 -12.608 5.997 116 HG21 THR 18 3HG2 THR 18 -27.035 -13.205 5.767 117 HG22 THR 18 1HG2 THR 18 -28.428 -13.236 6.847 118 HG23 THR 18 2HG2 THR 18 -27.763 -11.694 6.314 119 H LYS 19 H LYS 19 -27.790 -13.867 2.084 120 HA LYS 19 HA LYS 19 -25.156 -14.519 2.757 121 HB2 LYS 19 2HB LYS 19 -25.119 -15.703 0.553 122 HB3 LYS 19 3HB LYS 19 -26.523 -16.079 1.541 123 HG2 LYS 19 2HG LYS 19 -27.860 -14.486 0.213 124 HG3 LYS 19 3HG LYS 19 -26.454 -14.181 -0.801 125 HD2 LYS 19 2HD LYS 19 -27.811 -16.857 -0.451 126 HD3 LYS 19 3HD LYS 19 -28.015 -15.781 -1.834 127 HE2 LYS 19 2HE LYS 19 -25.586 -15.973 -2.291 128 HE3 LYS 19 3HE LYS 19 -25.456 -17.128 -0.964 129 HZ1 LYS 19 3HZ LYS 19 -25.634 -18.280 -3.049 130 HZ2 LYS 19 1HZ LYS 19 -27.069 -17.468 -3.433 131 HZ3 LYS 19 2HZ LYS 19 -27.029 -18.561 -2.143 132 H VAL 20 H VAL 20 -26.375 -12.026 0.605 133 HA VAL 20 HA VAL 20 -23.670 -11.482 -0.403 134 HB VAL 20 HB VAL 20 -26.275 -10.268 -1.351 135 HG11 VAL 20 1HG1 VAL 20 -24.334 -8.902 -1.893 136 HG12 VAL 20 2HG1 VAL 20 -24.991 -9.642 -3.352 137 HG13 VAL 20 3HG1 VAL 20 -23.529 -10.297 -2.614 138 HG21 VAL 20 3HG2 VAL 20 -26.101 -11.815 -3.273 139 HG22 VAL 20 1HG2 VAL 20 -26.345 -12.654 -1.742 140 HG23 VAL 20 2HG2 VAL 20 -24.744 -12.616 -2.479 141 H ALA 21 H ALA 21 -25.665 -10.481 2.015 142 HA ALA 21 HA ALA 21 -25.677 -7.693 1.930 143 HB1 ALA 21 3HB ALA 21 -26.193 -7.742 4.302 144 HB2 ALA 21 1HB ALA 21 -25.638 -9.413 4.410 145 HB3 ALA 21 2HB ALA 21 -27.069 -9.018 3.457 146 H LEU 22 H LEU 22 -23.642 -9.437 4.310 147 HA LEU 22 HA LEU 22 -21.795 -7.190 4.329 148 HB2 LEU 22 2HB LEU 22 -21.861 -9.727 5.969 149 HB3 LEU 22 3HB LEU 22 -20.709 -8.424 6.202 150 HG LEU 22 HG LEU 22 -23.707 -8.219 6.575 151 HD11 LEU 22 1HD1 LEU 22 -21.470 -8.212 8.603 152 HD12 LEU 22 2HD1 LEU 22 -22.627 -9.516 8.335 153 HD13 LEU 22 3HD1 LEU 22 -23.182 -7.959 8.944 154 HD21 LEU 22 3HD2 LEU 22 -21.532 -6.166 7.003 155 HD22 LEU 22 1HD2 LEU 22 -23.224 -5.979 7.470 156 HD23 LEU 22 2HD2 LEU 22 -22.791 -6.120 5.768 157 H ARG 23 H ARG 23 -21.995 -9.599 2.217 158 HA ARG 23 HA ARG 23 -20.563 -10.606 0.749 159 HB2 ARG 23 2HB ARG 23 -19.755 -8.211 0.646 160 HB3 ARG 23 3HB ARG 23 -18.505 -8.644 1.800 161 HG2 ARG 23 2HG ARG 23 -17.586 -10.256 0.174 162 HG3 ARG 23 3HG ARG 23 -18.830 -9.770 -0.985 163 HD2 ARG 23 2HD ARG 23 -17.967 -7.409 -0.758 164 HD3 ARG 23 3HD ARG 23 -16.623 -8.066 0.174 165 HE ARG 23 HE ARG 23 -16.899 -9.322 -2.376 166 HH11 ARG 23 1HH1 ARG 23 -15.608 -6.598 -0.712 167 HH12 ARG 23 2HH1 ARG 23 -14.486 -6.223 -1.970 168 HH21 ARG 23 1HH2 ARG 23 -15.439 -8.819 -3.997 169 HH22 ARG 23 2HH2 ARG 23 -14.382 -7.467 -3.798 170 H LYS 24 H LYS 24 -20.471 -12.657 1.768 171 HA LYS 24 HA LYS 24 -18.539 -13.035 3.932 172 HB2 LYS 24 2HB LYS 24 -20.747 -14.820 2.898 173 HB3 LYS 24 3HB LYS 24 -19.625 -15.299 4.160 174 HG2 LYS 24 2HG LYS 24 -21.531 -14.584 5.302 175 HG3 LYS 24 3HG LYS 24 -20.406 -13.234 5.434 176 HD2 LYS 24 2HD LYS 24 -21.567 -12.138 3.533 177 HD3 LYS 24 3HD LYS 24 -22.731 -13.465 3.515 178 HE2 LYS 24 2HE LYS 24 -22.246 -11.500 5.757 179 HE3 LYS 24 3HE LYS 24 -23.667 -11.594 4.718 180 HZ1 LYS 24 3HZ LYS 24 -22.794 -13.589 6.735 181 HZ2 LYS 24 1HZ LYS 24 -24.066 -13.838 5.649 182 HZ3 LYS 24 2HZ LYS 24 -24.166 -12.606 6.799 183 H THR 25 H THR 25 -19.340 -14.741 0.862 184 HA THR 25 HA THR 25 -16.570 -15.757 0.835 185 HB THR 25 HB THR 25 -17.900 -17.548 1.791 186 HG1 THR 25 HG1 THR 25 -17.663 -18.816 -0.561 187 HG21 THR 25 3HG2 THR 25 -19.570 -17.395 -0.730 188 HG22 THR 25 1HG2 THR 25 -20.100 -16.938 0.889 189 HG23 THR 25 2HG2 THR 25 -19.716 -18.621 0.528 190 H LYS 26 H LYS 26 -15.950 -16.771 -1.231 191 HA LYS 26 HA LYS 26 -16.916 -15.165 -3.482 192 HB2 LYS 26 2HB LYS 26 -14.535 -17.036 -3.360 193 HB3 LYS 26 3HB LYS 26 -14.879 -15.856 -4.614 194 HG2 LYS 26 2HG LYS 26 -14.639 -14.058 -2.886 195 HG3 LYS 26 3HG LYS 26 -14.104 -15.297 -1.751 196 HD2 LYS 26 2HD LYS 26 -12.767 -14.703 -4.400 197 HD3 LYS 26 3HD LYS 26 -12.243 -14.041 -2.852 198 HE2 LYS 26 2HE LYS 26 -12.446 -17.004 -3.377 199 HE3 LYS 26 3HE LYS 26 -10.987 -16.076 -3.711 200 HZ1 LYS 26 3HZ LYS 26 -12.286 -16.403 -1.058 201 HZ2 LYS 26 1HZ LYS 26 -10.940 -15.425 -1.364 202 HZ3 LYS 26 2HZ LYS 26 -10.830 -17.100 -1.562 203 H GLN 27 H GLN 27 -17.527 -16.128 -5.511 204 HA GLN 27 HA GLN 27 -18.620 -18.853 -5.186 205 HB2 GLN 27 2HB GLN 27 -20.285 -18.192 -6.940 206 HB3 GLN 27 3HB GLN 27 -20.403 -17.288 -5.439 207 HG2 GLN 27 2HG GLN 27 -19.338 -15.377 -6.435 208 HG3 GLN 27 3HG GLN 27 -19.001 -16.284 -7.907 209 HE21 GLN 27 1HE2 GLN 27 -21.483 -14.736 -6.015 210 HE22 GLN 27 2HE2 GLN 27 -22.676 -14.696 -7.260 211 H ALA 28 H ALA 28 -17.282 -16.735 -7.766 212 HA ALA 28 HA ALA 28 -15.946 -18.991 -8.986 213 HB1 ALA 28 3HB ALA 28 -18.219 -19.257 -9.863 214 HB2 ALA 28 1HB ALA 28 -17.087 -18.824 -11.145 215 HB3 ALA 28 2HB ALA 28 -18.179 -17.606 -10.482 216 H ALA 29 H ALA 29 -14.451 -18.385 -10.628 217 HA ALA 29 HA ALA 29 -13.024 -16.059 -10.062 218 HB1 ALA 29 3HB ALA 29 -12.035 -18.063 -11.059 219 HB2 ALA 29 1HB ALA 29 -11.643 -16.619 -11.991 220 HB3 ALA 29 2HB ALA 29 -12.883 -17.734 -12.571 221 H GLU 30 H GLU 30 -15.684 -16.495 -12.221 222 HA GLU 30 HA GLU 30 -15.381 -14.491 -14.100 223 HB2 GLU 30 2HB GLU 30 -17.824 -14.452 -14.259 224 HB3 GLU 30 3HB GLU 30 -17.234 -16.103 -14.105 225 HG2 GLU 30 2HG GLU 30 -17.838 -16.131 -11.751 226 HG3 GLU 30 3HG GLU 30 -18.366 -14.453 -11.848 227 H LYS 31 H LYS 31 -16.118 -14.125 -10.693 228 HA LYS 31 HA LYS 31 -16.233 -11.199 -11.080 229 HB2 LYS 31 2HB LYS 31 -18.493 -12.252 -10.615 230 HB3 LYS 31 3HB LYS 31 -17.880 -12.688 -9.027 231 HG2 LYS 31 2HG LYS 31 -19.203 -10.665 -8.895 232 HG3 LYS 31 3HG LYS 31 -17.515 -10.308 -8.523 233 HD2 LYS 31 2HD LYS 31 -17.187 -9.465 -10.804 234 HD3 LYS 31 3HD LYS 31 -18.867 -9.843 -11.192 235 HE2 LYS 31 2HE LYS 31 -17.905 -7.845 -9.137 236 HE3 LYS 31 3HE LYS 31 -18.616 -7.474 -10.708 237 HZ1 LYS 31 3HZ LYS 31 -19.959 -8.753 -8.393 238 HZ2 LYS 31 1HZ LYS 31 -20.652 -8.644 -9.934 239 HZ3 LYS 31 2HZ LYS 31 -20.295 -7.239 -9.066 240 H ILE 32 H ILE 32 -14.607 -13.729 -9.637 241 HA ILE 32 HA ILE 32 -13.922 -12.524 -7.130 242 HB ILE 32 HB ILE 32 -12.572 -14.752 -8.674 243 HG12 ILE 32 2HG1 ILE 32 -14.346 -14.804 -6.213 244 HG13 ILE 32 3HG1 ILE 32 -14.843 -15.261 -7.838 245 HG21 ILE 32 1HG2 ILE 32 -12.019 -13.777 -5.869 246 HG22 ILE 32 2HG2 ILE 32 -10.924 -13.678 -7.247 247 HG23 ILE 32 3HG2 ILE 32 -11.362 -15.250 -6.579 248 HD11 ILE 32 3HD1 ILE 32 -14.392 -17.221 -6.504 249 HD12 ILE 32 1HD1 ILE 32 -12.764 -16.642 -6.154 250 HD13 ILE 32 2HD1 ILE 32 -13.205 -17.092 -7.802 251 H SER 33 H SER 33 -13.065 -10.509 -7.299 252 HA SER 33 HA SER 33 -11.257 -9.606 -9.246 253 HB2 SER 33 2HB SER 33 -12.511 -8.047 -7.854 254 HB3 SER 33 3HB SER 33 -11.665 -8.605 -6.414 255 HG SER 33 HG SER 33 -9.992 -7.417 -6.923 256 H ALA 34 H ALA 34 -10.714 -11.243 -6.186 257 HA ALA 34 HA ALA 34 -7.973 -10.927 -5.862 258 HB1 ALA 34 3HB ALA 34 -9.444 -12.015 -4.219 259 HB2 ALA 34 1HB ALA 34 -8.023 -12.994 -4.580 260 HB3 ALA 34 2HB ALA 34 -9.585 -13.415 -5.283 261 H ASP 35 H ASP 35 -9.683 -12.834 -8.221 262 HA ASP 35 HA ASP 35 -7.398 -14.416 -9.016 263 HB2 ASP 35 2HB ASP 35 -9.715 -15.265 -9.217 264 HB3 ASP 35 3HB ASP 35 -10.076 -13.992 -10.378 265 H LYS 36 H LYS 36 -8.931 -11.429 -9.975 266 HA LYS 36 HA LYS 36 -7.489 -11.072 -12.429 267 HB2 LYS 36 2HB LYS 36 -9.707 -10.047 -11.984 268 HB3 LYS 36 3HB LYS 36 -8.989 -9.050 -10.732 269 HG2 LYS 36 2HG LYS 36 -7.927 -8.896 -13.525 270 HG3 LYS 36 3HG LYS 36 -9.438 -8.086 -13.120 271 HD2 LYS 36 2HD LYS 36 -8.309 -6.804 -11.376 272 HD3 LYS 36 3HD LYS 36 -6.797 -7.648 -11.711 273 HE2 LYS 36 2HE LYS 36 -6.821 -6.722 -14.004 274 HE3 LYS 36 3HE LYS 36 -8.293 -5.836 -13.609 275 HZ1 LYS 36 3HZ LYS 36 -6.325 -4.446 -13.419 276 HZ2 LYS 36 1HZ LYS 36 -5.666 -5.493 -12.264 277 HZ3 LYS 36 2HZ LYS 36 -7.077 -4.629 -11.916 278 H ILE 37 H ILE 37 -6.886 -10.353 -9.073 279 HA ILE 37 HA ILE 37 -4.886 -8.355 -9.492 280 HB ILE 37 HB ILE 37 -5.233 -10.102 -7.048 281 HG12 ILE 37 2HG1 ILE 37 -7.346 -9.019 -7.482 282 HG13 ILE 37 3HG1 ILE 37 -6.568 -8.172 -6.152 283 HG21 ILE 37 1HG2 ILE 37 -4.153 -8.218 -5.869 284 HG22 ILE 37 2HG2 ILE 37 -3.902 -7.414 -7.417 285 HG23 ILE 37 3HG2 ILE 37 -3.102 -8.950 -7.082 286 HD11 ILE 37 3HD1 ILE 37 -5.869 -6.409 -7.686 287 HD12 ILE 37 1HD1 ILE 37 -7.618 -6.629 -7.695 288 HD13 ILE 37 2HD1 ILE 37 -6.644 -7.263 -9.021 289 H SER 38 H SER 38 -3.270 -9.027 -10.851 290 HA SER 38 HA SER 38 -1.880 -11.539 -10.419 291 HB2 SER 38 2HB SER 38 -1.335 -9.303 -12.393 292 HB3 SER 38 3HB SER 38 -0.533 -10.874 -12.385 293 HG SER 38 HG SER 38 -2.267 -10.827 -13.868 294 H LYS 39 H LYS 39 0.409 -11.697 -10.063 295 HA LYS 39 HA LYS 39 1.299 -10.366 -7.785 296 HB2 LYS 39 2HB LYS 39 2.093 -12.578 -8.650 297 HB3 LYS 39 3HB LYS 39 3.016 -11.726 -9.876 298 HG2 LYS 39 2HG LYS 39 4.255 -10.581 -8.007 299 HG3 LYS 39 3HG LYS 39 3.446 -11.689 -6.892 300 HD2 LYS 39 2HD LYS 39 4.376 -13.589 -8.268 301 HD3 LYS 39 3HD LYS 39 5.324 -12.395 -9.153 302 HE2 LYS 39 2HE LYS 39 6.746 -13.323 -7.486 303 HE3 LYS 39 3HE LYS 39 6.322 -11.696 -6.950 304 HZ1 LYS 39 3HZ LYS 39 6.204 -13.417 -5.190 305 HZ2 LYS 39 1HZ LYS 39 4.944 -14.160 -6.030 306 HZ3 LYS 39 2HZ LYS 39 4.748 -12.597 -5.420 307 H GLU 40 H GLU 40 2.706 -9.979 -11.068 308 HA GLU 40 HA GLU 40 4.254 -7.717 -10.345 309 HB2 GLU 40 2HB GLU 40 4.638 -7.405 -12.766 310 HB3 GLU 40 3HB GLU 40 4.933 -9.052 -12.238 311 HG2 GLU 40 2HG GLU 40 2.335 -8.219 -13.508 312 HG3 GLU 40 3HG GLU 40 3.732 -8.726 -14.455 313 H ALA 41 H ALA 41 0.994 -8.036 -11.594 314 HA ALA 41 HA ALA 41 0.504 -5.384 -12.360 315 HB1 ALA 41 3HB ALA 41 -1.867 -5.900 -12.027 316 HB2 ALA 41 1HB ALA 41 -1.426 -7.369 -11.156 317 HB3 ALA 41 2HB ALA 41 -1.033 -7.207 -12.868 318 H LEU 42 H LEU 42 0.136 -6.951 -9.187 319 HA LEU 42 HA LEU 42 -0.707 -4.630 -7.790 320 HB2 LEU 42 2HB LEU 42 -0.952 -6.984 -6.994 321 HB3 LEU 42 3HB LEU 42 0.776 -7.049 -6.721 322 HG LEU 42 HG LEU 42 -0.966 -5.029 -5.301 323 HD11 LEU 42 1HD1 LEU 42 -1.114 -6.570 -3.418 324 HD12 LEU 42 2HD1 LEU 42 -0.303 -7.822 -4.362 325 HD13 LEU 42 3HD1 LEU 42 -1.897 -7.242 -4.849 326 HD21 LEU 42 3HD2 LEU 42 0.852 -5.167 -3.610 327 HD22 LEU 42 1HD2 LEU 42 1.402 -4.578 -5.179 328 HD23 LEU 42 2HD2 LEU 42 1.735 -6.240 -4.698 329 H LEU 43 H LEU 43 2.481 -6.064 -8.389 330 HA LEU 43 HA LEU 43 4.012 -4.350 -6.780 331 HB2 LEU 43 2HB LEU 43 4.783 -5.820 -9.305 332 HB3 LEU 43 3HB LEU 43 5.927 -5.041 -8.227 333 HG LEU 43 HG LEU 43 4.120 -7.347 -7.472 334 HD11 LEU 43 1HD1 LEU 43 5.871 -8.025 -9.037 335 HD12 LEU 43 2HD1 LEU 43 6.155 -8.685 -7.427 336 HD13 LEU 43 3HD1 LEU 43 7.094 -7.303 -7.990 337 HD21 LEU 43 3HD2 LEU 43 5.435 -7.426 -5.410 338 HD22 LEU 43 1HD2 LEU 43 4.594 -5.884 -5.577 339 HD23 LEU 43 2HD2 LEU 43 6.321 -5.986 -5.916 340 H GLU 44 H GLU 44 3.067 -3.990 -10.214 341 HA GLU 44 HA GLU 44 4.606 -1.641 -10.650 342 HB2 GLU 44 2HB GLU 44 3.398 -1.366 -12.709 343 HB3 GLU 44 3HB GLU 44 3.715 -3.080 -12.485 344 HG2 GLU 44 2HG GLU 44 1.429 -3.450 -11.782 345 HG3 GLU 44 3HG GLU 44 1.091 -1.724 -11.867 346 H CYS 45 H CYS 45 1.248 -2.144 -9.615 347 HA CYS 45 HA CYS 45 0.458 0.559 -9.517 348 HB2 CYS 45 2HB CYS 45 -0.448 -1.792 -7.833 349 HB3 CYS 45 3HB CYS 45 -1.241 -0.220 -7.843 350 HG CYS 45 HG CYS 45 -1.026 -2.394 -10.478 351 H ALA 46 H ALA 46 1.906 -1.520 -7.014 352 HA ALA 46 HA ALA 46 2.060 0.414 -4.973 353 HB1 ALA 46 3HB ALA 46 3.700 -1.067 -3.936 354 HB2 ALA 46 1HB ALA 46 3.873 -1.954 -5.450 355 HB3 ALA 46 2HB ALA 46 2.341 -1.989 -4.577 356 H ASP 47 H ASP 47 4.255 -0.367 -7.624 357 HA ASP 47 HA ASP 47 6.459 1.188 -6.898 358 HB2 ASP 47 2HB ASP 47 6.531 -0.429 -8.732 359 HB3 ASP 47 3HB ASP 47 5.401 0.547 -9.665 360 H LEU 48 H LEU 48 3.508 2.084 -8.658 361 HA LEU 48 HA LEU 48 4.132 4.686 -9.390 362 HB2 LEU 48 2HB LEU 48 1.482 3.575 -8.453 363 HB3 LEU 48 3HB LEU 48 1.677 5.131 -9.239 364 HG LEU 48 HG LEU 48 2.288 2.441 -10.481 365 HD11 LEU 48 1HD1 LEU 48 0.374 2.906 -11.919 366 HD12 LEU 48 2HD1 LEU 48 0.062 4.402 -11.039 367 HD13 LEU 48 3HD1 LEU 48 -0.107 2.846 -10.226 368 HD21 LEU 48 3HD2 LEU 48 3.806 4.132 -11.329 369 HD22 LEU 48 1HD2 LEU 48 2.456 5.228 -11.636 370 HD23 LEU 48 2HD2 LEU 48 2.610 3.733 -12.561 371 H LEU 49 H LEU 49 2.973 3.510 -6.249 372 HA LEU 49 HA LEU 49 2.775 6.085 -5.041 373 HB2 LEU 49 2HB LEU 49 3.042 3.323 -3.854 374 HB3 LEU 49 3HB LEU 49 2.890 4.765 -2.871 375 HG LEU 49 HG LEU 49 0.680 5.215 -3.932 376 HD11 LEU 49 1HD1 LEU 49 1.019 4.024 -6.032 377 HD12 LEU 49 2HD1 LEU 49 -0.427 3.459 -5.199 378 HD13 LEU 49 3HD1 LEU 49 1.047 2.488 -5.166 379 HD21 LEU 49 3HD2 LEU 49 -0.527 3.425 -2.748 380 HD22 LEU 49 1HD2 LEU 49 0.780 4.109 -1.784 381 HD23 LEU 49 2HD2 LEU 49 0.987 2.542 -2.566 382 H SER 50 H SER 50 5.275 3.542 -4.834 383 HA SER 50 HA SER 50 7.104 4.862 -3.197 384 HB2 SER 50 2HB SER 50 7.338 2.493 -3.847 385 HB3 SER 50 3HB SER 50 7.718 2.978 -5.498 386 HG SER 50 HG SER 50 9.620 3.908 -4.770 387 H SER 51 H SER 51 6.634 5.121 -6.682 388 HA SER 51 HA SER 51 8.884 6.853 -7.122 389 HB2 SER 51 2HB SER 51 8.118 5.435 -8.930 390 HB3 SER 51 3HB SER 51 6.510 6.158 -8.871 391 HG SER 51 HG SER 51 7.246 7.549 -10.245 392 H ALA 52 H ALA 52 5.352 7.378 -6.967 393 HA ALA 52 HA ALA 52 5.430 10.114 -7.667 394 HB1 ALA 52 3HB ALA 52 3.105 10.196 -6.973 395 HB2 ALA 52 1HB ALA 52 3.281 8.652 -6.136 396 HB3 ALA 52 2HB ALA 52 3.422 8.724 -7.893 397 H LEU 53 H LEU 53 5.851 8.531 -4.575 398 HA LEU 53 HA LEU 53 5.368 10.856 -2.977 399 HB2 LEU 53 2HB LEU 53 6.768 8.251 -2.372 400 HB3 LEU 53 3HB LEU 53 6.506 9.508 -1.174 401 HG LEU 53 HG LEU 53 4.291 8.087 -2.676 402 HD11 LEU 53 1HD1 LEU 53 3.844 6.932 -0.566 403 HD12 LEU 53 2HD1 LEU 53 5.271 7.683 0.152 404 HD13 LEU 53 3HD1 LEU 53 5.450 6.547 -1.186 405 HD21 LEU 53 3HD2 LEU 53 3.695 10.354 -1.966 406 HD22 LEU 53 1HD2 LEU 53 4.194 9.976 -0.316 407 HD23 LEU 53 2HD2 LEU 53 2.815 9.143 -1.035 408 H THR 54 H THR 54 7.918 10.111 -5.025 409 HA THR 54 HA THR 54 9.894 11.657 -3.478 410 HB THR 54 HB THR 54 11.567 10.951 -5.054 411 HG1 THR 54 HG1 THR 54 9.752 9.438 -6.580 412 HG21 THR 54 3HG2 THR 54 11.435 8.500 -4.874 413 HG22 THR 54 1HG2 THR 54 9.736 8.631 -4.416 414 HG23 THR 54 2HG2 THR 54 10.988 9.291 -3.362 415 H GLU 55 H GLU 55 8.399 11.623 -6.718 416 HA GLU 55 HA GLU 55 9.370 14.262 -7.379 417 HB2 GLU 55 2HB GLU 55 8.057 13.962 -9.454 418 HB3 GLU 55 3HB GLU 55 9.109 12.588 -9.138 419 HG2 GLU 55 2HG GLU 55 7.204 11.323 -8.261 420 HG3 GLU 55 3HG GLU 55 6.148 12.700 -8.570 421 HA PRO 56 HA PRO 56 6.021 16.678 -5.747 422 HB2 PRO 56 2HB PRO 56 5.975 18.285 -8.237 423 HB3 PRO 56 3HB PRO 56 6.313 18.791 -6.579 424 HG2 PRO 56 2HG PRO 56 8.268 18.630 -8.403 425 HG3 PRO 56 3HG PRO 56 8.551 18.188 -6.708 426 HD2 PRO 56 2HD PRO 56 8.086 16.404 -9.078 427 HD3 PRO 56 3HD PRO 56 9.246 16.223 -7.741 428 H VAL 57 H VAL 57 4.019 15.941 -5.616 429 HA VAL 57 HA VAL 57 2.255 15.926 -7.957 430 HB VAL 57 HB VAL 57 1.275 13.727 -7.219 431 HG11 VAL 57 1HG1 VAL 57 4.168 13.662 -8.090 432 HG12 VAL 57 2HG1 VAL 57 2.757 13.791 -9.140 433 HG13 VAL 57 3HG1 VAL 57 3.034 12.315 -8.215 434 HG21 VAL 57 3HG2 VAL 57 2.618 12.260 -5.783 435 HG22 VAL 57 1HG2 VAL 57 2.118 13.717 -4.925 436 HG23 VAL 57 2HG2 VAL 57 3.770 13.568 -5.521 437 HA PRO 58 HA PRO 58 -0.676 17.393 -4.875 438 HB2 PRO 58 2HB PRO 58 -2.987 16.152 -6.064 439 HB3 PRO 58 3HB PRO 58 -2.460 17.831 -6.187 440 HG2 PRO 58 2HG PRO 58 -2.467 16.007 -8.268 441 HG3 PRO 58 3HG PRO 58 -1.515 17.499 -8.225 442 HD2 PRO 58 2HD PRO 58 -0.659 14.685 -7.717 443 HD3 PRO 58 3HD PRO 58 0.245 16.029 -8.449 444 H ASN 59 H ASN 59 -1.410 16.732 -2.920 445 HA ASN 59 HA ASN 59 -1.105 14.143 -1.953 446 HB2 ASN 59 2HB ASN 59 -2.945 16.310 -0.906 447 HB3 ASN 59 3HB ASN 59 -2.444 14.884 -0.005 448 HD21 ASN 59 1HD2 ASN 59 0.293 14.969 -1.027 449 HD22 ASN 59 2HD2 ASN 59 1.057 16.283 -0.212 450 H SER 60 H SER 60 -3.943 15.674 -3.394 451 HA SER 60 HA SER 60 -5.867 13.714 -2.763 452 HB2 SER 60 2HB SER 60 -5.741 15.505 -5.214 453 HB3 SER 60 3HB SER 60 -7.169 14.633 -4.656 454 HG SER 60 HG SER 60 -7.337 15.964 -2.944 455 H GLN 61 H GLN 61 -3.774 14.052 -5.625 456 HA GLN 61 HA GLN 61 -4.595 11.740 -6.982 457 HB2 GLN 61 2HB GLN 61 -3.258 13.477 -8.054 458 HB3 GLN 61 3HB GLN 61 -1.904 13.126 -6.988 459 HG2 GLN 61 2HG GLN 61 -1.688 10.903 -7.979 460 HG3 GLN 61 3HG GLN 61 -3.064 11.231 -9.032 461 HE21 GLN 61 1HE2 GLN 61 -2.298 13.989 -9.532 462 HE22 GLN 61 2HE2 GLN 61 -0.928 13.933 -10.580 463 H LEU 62 H LEU 62 -2.059 12.202 -4.535 464 HA LEU 62 HA LEU 62 -0.962 9.632 -4.537 465 HB2 LEU 62 2HB LEU 62 -1.299 11.629 -2.300 466 HB3 LEU 62 3HB LEU 62 -0.399 10.134 -2.112 467 HG LEU 62 HG LEU 62 0.272 12.310 -4.107 468 HD11 LEU 62 1HD1 LEU 62 0.649 13.084 -1.834 469 HD12 LEU 62 2HD1 LEU 62 2.185 12.785 -2.647 470 HD13 LEU 62 3HD1 LEU 62 1.570 11.625 -1.467 471 HD21 LEU 62 3HD2 LEU 62 2.380 11.047 -4.369 472 HD22 LEU 62 1HD2 LEU 62 0.970 10.120 -4.881 473 HD23 LEU 62 2HD2 LEU 62 1.732 9.779 -3.326 474 H VAL 63 H VAL 63 -3.693 10.881 -2.600 475 HA VAL 63 HA VAL 63 -4.257 8.524 -1.191 476 HB VAL 63 HB VAL 63 -6.208 10.670 -2.073 477 HG11 VAL 63 1HG1 VAL 63 -7.588 9.915 -0.175 478 HG12 VAL 63 2HG1 VAL 63 -6.460 8.588 0.106 479 HG13 VAL 63 3HG1 VAL 63 -7.388 8.654 -1.392 480 HG21 VAL 63 3HG2 VAL 63 -4.606 10.387 0.476 481 HG22 VAL 63 1HG2 VAL 63 -5.836 11.615 0.171 482 HG23 VAL 63 2HG2 VAL 63 -4.358 11.592 -0.789 483 H ASP 64 H ASP 64 -5.667 9.688 -4.271 484 HA ASP 64 HA ASP 64 -7.369 7.505 -4.730 485 HB2 ASP 64 2HB ASP 64 -7.471 9.632 -5.989 486 HB3 ASP 64 3HB ASP 64 -5.956 9.224 -6.789 487 H THR 65 H THR 65 -4.019 8.033 -5.837 488 HA THR 65 HA THR 65 -3.726 5.619 -7.259 489 HB THR 65 HB THR 65 -1.533 7.179 -5.855 490 HG1 THR 65 HG1 THR 65 -2.358 8.624 -7.253 491 HG21 THR 65 3HG2 THR 65 -0.836 4.933 -6.604 492 HG22 THR 65 1HG2 THR 65 -0.053 6.205 -7.541 493 HG23 THR 65 2HG2 THR 65 -1.406 5.308 -8.231 494 H GLY 66 H GLY 66 -3.245 6.380 -3.834 495 HA2 GLY 66 2HA GLY 66 -2.191 3.804 -3.138 496 HA3 GLY 66 3HA GLY 66 -2.800 5.013 -2.021 497 H HIS 67 H HIS 67 -5.409 5.126 -3.418 498 HA HIS 67 HA HIS 67 -6.868 3.390 -1.812 499 HB2 HIS 67 2HB HIS 67 -7.821 5.401 -2.818 500 HB3 HIS 67 3HB HIS 67 -7.685 4.689 -4.422 501 HD1 HIS 67 HD1 HIS 67 -9.514 3.069 -5.147 502 HD2 HIS 67 HD2 HIS 67 -9.889 4.315 -1.204 503 HE1 HIS 67 HE1 HIS 67 -11.783 2.290 -4.416 504 HE2 HIS 67 HE2 HIS 67 -12.073 3.265 -2.119 505 H GLN 68 H GLN 68 -5.877 2.948 -5.213 506 HA GLN 68 HA GLN 68 -7.327 0.577 -5.688 507 HB2 GLN 68 2HB GLN 68 -5.774 0.207 -7.581 508 HB3 GLN 68 3HB GLN 68 -6.410 1.846 -7.534 509 HG2 GLN 68 2HG GLN 68 -4.327 2.637 -6.549 510 HG3 GLN 68 3HG GLN 68 -3.684 0.998 -6.565 511 HE21 GLN 68 1HE2 GLN 68 -4.850 0.380 -9.183 512 HE22 GLN 68 2HE2 GLN 68 -3.874 1.221 -10.331 513 H LEU 69 H LEU 69 -4.254 1.092 -4.076 514 HA LEU 69 HA LEU 69 -3.279 -1.553 -4.175 515 HB2 LEU 69 2HB LEU 69 -2.764 0.801 -2.410 516 HB3 LEU 69 3HB LEU 69 -2.155 -0.765 -1.908 517 HG LEU 69 HG LEU 69 -0.446 0.544 -3.092 518 HD11 LEU 69 1HD1 LEU 69 -0.348 -1.889 -3.202 519 HD12 LEU 69 2HD1 LEU 69 0.238 -1.169 -4.701 520 HD13 LEU 69 3HD1 LEU 69 -1.374 -1.881 -4.635 521 HD21 LEU 69 3HD2 LEU 69 -0.661 1.014 -5.477 522 HD22 LEU 69 1HD2 LEU 69 -1.924 1.833 -4.559 523 HD23 LEU 69 2HD2 LEU 69 -2.303 0.369 -5.470 524 H LEU 70 H LEU 70 -5.579 -0.015 -1.987 525 HA LEU 70 HA LEU 70 -5.769 -2.088 -0.091 526 HB2 LEU 70 2HB LEU 70 -7.632 0.084 -0.986 527 HB3 LEU 70 3HB LEU 70 -8.231 -1.165 0.086 528 HG LEU 70 HG LEU 70 -7.542 0.842 1.322 529 HD11 LEU 70 1HD1 LEU 70 -5.791 -1.565 1.825 530 HD12 LEU 70 2HD1 LEU 70 -7.416 -1.299 2.455 531 HD13 LEU 70 3HD1 LEU 70 -6.089 -0.260 2.972 532 HD21 LEU 70 3HD2 LEU 70 -5.771 1.614 -0.190 533 HD22 LEU 70 1HD2 LEU 70 -4.765 0.247 0.293 534 HD23 LEU 70 2HD2 LEU 70 -5.197 1.487 1.473 535 H ASP 71 H ASP 71 -7.561 -1.568 -3.114 536 HA ASP 71 HA ASP 71 -9.234 -3.821 -2.942 537 HB2 ASP 71 2HB ASP 71 -9.445 -1.871 -4.544 538 HB3 ASP 71 3HB ASP 71 -8.150 -2.596 -5.488 539 H TYR 72 H TYR 72 -6.168 -3.405 -4.724 540 HA TYR 72 HA TYR 72 -5.886 -6.033 -5.621 541 HB2 TYR 72 2HB TYR 72 -3.906 -3.826 -5.114 542 HB3 TYR 72 3HB TYR 72 -3.354 -5.416 -5.630 543 HD1 TYR 72 HD1 TYR 72 -5.924 -2.858 -6.608 544 HD2 TYR 72 HD2 TYR 72 -3.085 -5.755 -7.914 545 HE1 TYR 72 HE1 TYR 72 -6.399 -2.269 -8.947 546 HE2 TYR 72 HE2 TYR 72 -3.557 -5.169 -10.253 547 HH TYR 72 HH TYR 72 -5.236 -2.418 -11.174 548 H CYS 73 H CYS 73 -4.640 -4.573 -2.619 549 HA CYS 73 HA CYS 73 -3.270 -6.891 -1.734 550 HB2 CYS 73 2HB CYS 73 -4.290 -4.501 -0.188 551 HB3 CYS 73 3HB CYS 73 -3.261 -5.754 0.500 552 HG CYS 73 HG CYS 73 -2.455 -3.170 -1.457 553 H SER 74 H SER 74 -6.490 -5.613 -0.878 554 HA SER 74 HA SER 74 -7.144 -7.538 1.059 555 HB2 SER 74 2HB SER 74 -9.492 -6.878 0.693 556 HB3 SER 74 3HB SER 74 -8.438 -5.467 0.769 557 HG SER 74 HG SER 74 -8.887 -5.018 -1.242 558 H GLY 75 H GLY 75 -7.259 -7.692 -2.437 559 HA2 GLY 75 2HA GLY 75 -8.691 -10.228 -2.440 560 HA3 GLY 75 3HA GLY 75 -8.077 -9.374 -3.845 561 H TYR 76 H TYR 76 -5.417 -9.154 -3.430 562 HA TYR 76 HA TYR 76 -4.469 -11.622 -4.297 563 HB2 TYR 76 2HB TYR 76 -3.338 -9.483 -4.762 564 HB3 TYR 76 3HB TYR 76 -2.850 -9.373 -3.076 565 HD1 TYR 76 HD2 TYR 76 -2.431 -11.376 -6.175 566 HD2 TYR 76 HD1 TYR 76 -0.889 -10.478 -2.305 567 HE1 TYR 76 HE2 TYR 76 -0.395 -12.656 -6.694 568 HE2 TYR 76 HE1 TYR 76 1.147 -11.755 -2.813 569 HH TYR 76 HH TYR 76 1.857 -13.561 -4.308 570 H VAL 77 H VAL 77 -4.711 -10.419 -1.013 571 HA VAL 77 HA VAL 77 -2.807 -12.005 0.259 572 HB VAL 77 HB VAL 77 -4.153 -10.168 1.332 573 HG11 VAL 77 1HG1 VAL 77 -6.238 -12.327 1.674 574 HG12 VAL 77 2HG1 VAL 77 -6.386 -10.913 0.628 575 HG13 VAL 77 3HG1 VAL 77 -6.282 -10.710 2.377 576 HG21 VAL 77 3HG2 VAL 77 -2.695 -11.608 2.651 577 HG22 VAL 77 1HG2 VAL 77 -3.994 -12.788 2.831 578 HG23 VAL 77 2HG2 VAL 77 -4.144 -11.192 3.566 579 H ASP 78 H ASP 78 -5.935 -12.892 -1.016 580 HA ASP 78 HA ASP 78 -6.283 -15.335 0.385 581 HB2 ASP 78 2HB ASP 78 -8.090 -14.092 -0.829 582 HB3 ASP 78 3HB ASP 78 -7.358 -14.589 -2.350 583 H CYS 79 H CYS 79 -4.450 -14.448 -2.447 584 HA CYS 79 HA CYS 79 -3.963 -17.161 -3.327 585 HB2 CYS 79 2HB CYS 79 -2.626 -14.583 -4.193 586 HB3 CYS 79 3HB CYS 79 -2.520 -16.131 -5.022 587 HG CYS 79 HG CYS 79 -4.298 -14.002 -6.143 588 H ILE 80 H ILE 80 -2.654 -15.224 -0.884 589 HA ILE 80 HA ILE 80 0.059 -16.218 -1.023 590 HB ILE 80 HB ILE 80 -1.332 -14.768 1.247 591 HG12 ILE 80 2HG1 ILE 80 0.479 -13.703 -0.950 592 HG13 ILE 80 3HG1 ILE 80 -1.253 -13.422 -0.822 593 HG21 ILE 80 1HG2 ILE 80 0.943 -14.279 2.047 594 HG22 ILE 80 2HG2 ILE 80 1.611 -15.272 0.752 595 HG23 ILE 80 3HG2 ILE 80 0.624 -16.014 2.010 596 HD11 ILE 80 3HD1 ILE 80 -0.012 -11.491 -0.067 597 HD12 ILE 80 1HD1 ILE 80 0.846 -12.475 1.118 598 HD13 ILE 80 2HD1 ILE 80 -0.891 -12.216 1.282 599 HA PRO 81 HA PRO 81 -1.178 -20.020 1.071 600 HB2 PRO 81 2HB PRO 81 1.119 -21.382 0.709 601 HB3 PRO 81 3HB PRO 81 -0.007 -21.072 -0.619 602 HG2 PRO 81 2HG PRO 81 2.536 -19.647 0.083 603 HG3 PRO 81 3HG PRO 81 1.942 -20.147 -1.512 604 HD2 PRO 81 2HD PRO 81 1.712 -17.595 -0.531 605 HD3 PRO 81 3HD PRO 81 0.605 -18.293 -1.728 606 H GLN 82 H GLN 82 1.910 -18.393 1.818 607 HA GLN 82 HA GLN 82 2.248 -19.832 4.298 608 HB2 GLN 82 2HB GLN 82 3.772 -17.482 3.154 609 HB3 GLN 82 3HB GLN 82 4.247 -18.396 4.582 610 HG2 GLN 82 2HG GLN 82 4.475 -20.414 3.217 611 HG3 GLN 82 3HG GLN 82 4.003 -19.498 1.786 612 HE21 GLN 82 1HE2 GLN 82 5.456 -18.011 0.910 613 HE22 GLN 82 2HE2 GLN 82 7.134 -18.024 1.320 614 H THR 83 H THR 83 1.229 -19.337 6.124 615 HA THR 83 HA THR 83 -0.416 -17.110 6.524 616 HB THR 83 HB THR 83 0.877 -18.785 8.697 617 HG1 THR 83 HG1 THR 83 -1.445 -19.728 8.433 618 HG21 THR 83 3HG2 THR 83 -1.672 -17.144 8.710 619 HG22 THR 83 1HG2 THR 83 -0.181 -16.747 9.569 620 HG23 THR 83 2HG2 THR 83 -1.108 -18.176 10.026 621 H ARG 84 H ARG 84 2.987 -17.589 7.380 622 HA ARG 84 HA ARG 84 3.417 -15.319 8.949 623 HB2 ARG 84 2HB ARG 84 5.251 -16.694 6.974 624 HB3 ARG 84 3HB ARG 84 5.782 -15.417 8.061 625 HG2 ARG 84 2HG ARG 84 4.646 -18.085 8.891 626 HG3 ARG 84 3HG ARG 84 6.346 -17.613 8.941 627 HD2 ARG 84 2HD ARG 84 5.710 -15.762 10.503 628 HD3 ARG 84 3HD ARG 84 4.074 -16.420 10.540 629 HE ARG 84 HE ARG 84 5.715 -18.509 11.222 630 HH11 ARG 84 1HH1 ARG 84 4.975 -15.388 12.471 631 HH12 ARG 84 2HH1 ARG 84 5.415 -15.813 14.087 632 HH21 ARG 84 1HH2 ARG 84 6.253 -19.051 13.317 633 HH22 ARG 84 2HH2 ARG 84 6.126 -17.857 14.560 634 H ASN 85 H ASN 85 3.955 -15.588 5.430 635 HA ASN 85 HA ASN 85 4.346 -12.849 4.933 636 HB2 ASN 85 2HB ASN 85 3.247 -14.970 3.057 637 HB3 ASN 85 3HB ASN 85 3.925 -13.418 2.572 638 HD21 ASN 85 1HD2 ASN 85 5.460 -14.522 1.300 639 HD22 ASN 85 2HD2 ASN 85 6.832 -15.280 2.022 640 H LYS 86 H LYS 86 1.443 -14.845 4.909 641 HA LYS 86 HA LYS 86 -0.375 -13.062 3.765 642 HB2 LYS 86 2HB LYS 86 -0.515 -15.613 4.483 643 HB3 LYS 86 3HB LYS 86 -1.253 -14.942 5.923 644 HG2 LYS 86 2HG LYS 86 -2.904 -13.792 4.434 645 HG3 LYS 86 3HG LYS 86 -2.240 -14.742 3.098 646 HD2 LYS 86 2HD LYS 86 -2.710 -16.807 4.437 647 HD3 LYS 86 3HD LYS 86 -3.531 -15.786 5.620 648 HE2 LYS 86 2HE LYS 86 -5.190 -16.711 4.208 649 HE3 LYS 86 3HE LYS 86 -5.021 -15.010 3.786 650 HZ1 LYS 86 3HZ LYS 86 -5.180 -16.447 1.832 651 HZ2 LYS 86 1HZ LYS 86 -3.779 -17.270 2.301 652 HZ3 LYS 86 2HZ LYS 86 -3.698 -15.636 1.881 653 H PHE 87 H PHE 87 0.334 -13.653 7.213 654 HA PHE 87 HA PHE 87 -1.472 -11.718 8.226 655 HB2 PHE 87 2HB PHE 87 -0.562 -13.616 9.561 656 HB3 PHE 87 3HB PHE 87 1.014 -12.832 9.558 657 HD1 PHE 87 HD2 PHE 87 -2.440 -12.635 10.821 658 HD2 PHE 87 HD1 PHE 87 1.479 -10.968 11.002 659 HE1 PHE 87 HE2 PHE 87 -3.072 -11.368 12.830 660 HE2 PHE 87 HE1 PHE 87 0.847 -9.698 13.011 661 HZ PHE 87 HZ PHE 87 -1.431 -9.895 13.926 662 H ALA 88 H ALA 88 2.069 -11.622 7.771 663 HA ALA 88 HA ALA 88 2.537 -9.004 8.610 664 HB1 ALA 88 3HB ALA 88 4.598 -9.108 7.313 665 HB2 ALA 88 1HB ALA 88 3.985 -10.502 6.422 666 HB3 ALA 88 2HB ALA 88 4.318 -10.637 8.148 667 H PHE 89 H PHE 89 1.521 -10.220 5.465 668 HA PHE 89 HA PHE 89 1.567 -7.822 4.002 669 HB2 PHE 89 2HB PHE 89 1.321 -10.109 3.048 670 HB3 PHE 89 3HB PHE 89 -0.304 -10.191 3.710 671 HD1 PHE 89 HD2 PHE 89 1.837 -8.410 1.273 672 HD2 PHE 89 HD1 PHE 89 -2.137 -9.271 2.541 673 HE1 PHE 89 HE2 PHE 89 0.964 -7.428 -0.803 674 HE2 PHE 89 HE1 PHE 89 -3.010 -8.292 0.463 675 HZ PHE 89 HZ PHE 89 -1.461 -7.369 -1.212 676 H ARG 90 H ARG 90 -0.993 -9.323 5.956 677 HA ARG 90 HA ARG 90 -3.000 -7.418 5.350 678 HB2 ARG 90 2HB ARG 90 -2.703 -9.459 7.546 679 HB3 ARG 90 3HB ARG 90 -4.089 -8.378 7.471 680 HG2 ARG 90 2HG ARG 90 -3.265 -10.286 5.282 681 HG3 ARG 90 3HG ARG 90 -4.541 -10.580 6.467 682 HD2 ARG 90 2HD ARG 90 -4.478 -8.318 4.462 683 HD3 ARG 90 3HD ARG 90 -5.462 -9.777 4.337 684 HE ARG 90 HE ARG 90 -6.365 -8.906 6.615 685 HH11 ARG 90 1HH1 ARG 90 -5.544 -6.946 3.896 686 HH12 ARG 90 2HH1 ARG 90 -6.695 -5.722 4.309 687 HH21 ARG 90 1HH2 ARG 90 -7.825 -7.357 7.108 688 HH22 ARG 90 2HH2 ARG 90 -7.980 -5.959 6.101 689 H GLU 91 H GLU 91 -0.842 -7.708 8.200 690 HA GLU 91 HA GLU 91 -1.948 -5.511 9.567 691 HB2 GLU 91 2HB GLU 91 -0.064 -5.612 11.038 692 HB3 GLU 91 3HB GLU 91 -0.505 -7.254 10.608 693 HG2 GLU 91 2HG GLU 91 1.759 -7.407 10.441 694 HG3 GLU 91 3HG GLU 91 1.379 -6.935 8.787 695 H ALA 92 H ALA 92 0.677 -5.682 7.192 696 HA ALA 92 HA ALA 92 1.489 -3.000 7.280 697 HB1 ALA 92 3HB ALA 92 2.383 -3.362 5.043 698 HB2 ALA 92 1HB ALA 92 1.422 -4.835 4.883 699 HB3 ALA 92 2HB ALA 92 2.715 -4.751 6.079 700 H VAL 93 H VAL 93 -1.035 -4.561 5.300 701 HA VAL 93 HA VAL 93 -1.986 -2.285 3.972 702 HB VAL 93 HB VAL 93 -3.542 -4.722 4.889 703 HG11 VAL 93 1HG1 VAL 93 -5.074 -2.888 4.404 704 HG12 VAL 93 2HG1 VAL 93 -5.176 -4.119 3.146 705 HG13 VAL 93 3HG1 VAL 93 -4.293 -2.622 2.845 706 HG21 VAL 93 3HG2 VAL 93 -1.650 -5.225 3.399 707 HG22 VAL 93 1HG2 VAL 93 -2.289 -4.086 2.213 708 HG23 VAL 93 2HG2 VAL 93 -3.200 -5.543 2.620 709 H SER 94 H SER 94 -2.807 -3.581 7.171 710 HA SER 94 HA SER 94 -4.873 -1.843 7.879 711 HB2 SER 94 2HB SER 94 -4.220 -3.802 9.238 712 HB3 SER 94 3HB SER 94 -2.734 -2.980 9.706 713 HG SER 94 HG SER 94 -3.842 -1.653 10.991 714 H LYS 95 H LYS 95 -1.353 -1.354 8.081 715 HA LYS 95 HA LYS 95 -1.506 1.255 9.234 716 HB2 LYS 95 2HB LYS 95 0.649 -0.231 7.741 717 HB3 LYS 95 3HB LYS 95 0.856 1.467 8.136 718 HG2 LYS 95 2HG LYS 95 1.960 0.076 9.778 719 HG3 LYS 95 3HG LYS 95 0.618 0.944 10.522 720 HD2 LYS 95 2HD LYS 95 -0.759 -1.051 10.447 721 HD3 LYS 95 3HD LYS 95 0.501 -1.921 9.570 722 HE2 LYS 95 2HE LYS 95 0.785 -0.816 12.368 723 HE3 LYS 95 3HE LYS 95 0.422 -2.495 11.978 724 HZ1 LYS 95 3HZ LYS 95 2.899 -1.016 11.276 725 HZ2 LYS 95 1HZ LYS 95 2.547 -2.593 10.771 726 HZ3 LYS 95 2HZ LYS 95 2.750 -2.256 12.415 727 H LEU 96 H LEU 96 -1.457 0.049 5.921 728 HA LEU 96 HA LEU 96 -1.050 2.475 4.573 729 HB2 LEU 96 2HB LEU 96 -0.816 0.250 3.544 730 HB3 LEU 96 3HB LEU 96 -2.551 0.023 3.640 731 HG LEU 96 HG LEU 96 -2.873 1.910 2.065 732 HD11 LEU 96 1HD1 LEU 96 0.142 1.903 1.892 733 HD12 LEU 96 2HD1 LEU 96 -0.865 3.187 2.564 734 HD13 LEU 96 3HD1 LEU 96 -0.949 2.813 0.844 735 HD21 LEU 96 3HD2 LEU 96 -2.785 -0.367 1.209 736 HD22 LEU 96 1HD2 LEU 96 -1.028 -0.267 1.072 737 HD23 LEU 96 2HD2 LEU 96 -2.052 0.755 0.061 738 H GLU 97 H GLU 97 -4.170 0.810 5.277 739 HA GLU 97 HA GLU 97 -5.756 2.841 4.092 740 HB2 GLU 97 2HB GLU 97 -7.669 1.809 5.350 741 HB3 GLU 97 3HB GLU 97 -6.761 0.703 4.334 742 HG2 GLU 97 2HG GLU 97 -5.692 -0.285 6.207 743 HG3 GLU 97 3HG GLU 97 -6.292 0.967 7.295 744 H LEU 98 H LEU 98 -4.806 2.310 7.492 745 HA LEU 98 HA LEU 98 -6.218 4.483 8.593 746 HB2 LEU 98 2HB LEU 98 -3.834 2.889 9.423 747 HB3 LEU 98 3HB LEU 98 -4.132 4.400 10.258 748 HG LEU 98 HG LEU 98 -5.064 2.427 11.441 749 HD11 LEU 98 1HD1 LEU 98 -7.128 4.393 10.453 750 HD12 LEU 98 2HD1 LEU 98 -6.028 4.634 11.810 751 HD13 LEU 98 3HD1 LEU 98 -7.270 3.385 11.894 752 HD21 LEU 98 3HD2 LEU 98 -7.046 1.301 10.566 753 HD22 LEU 98 1HD2 LEU 98 -5.666 1.071 9.494 754 HD23 LEU 98 2HD2 LEU 98 -6.930 2.228 9.071 755 H SER 99 H SER 99 -3.016 4.323 7.101 756 HA SER 99 HA SER 99 -2.279 7.020 7.605 757 HB2 SER 99 2HB SER 99 -0.631 5.290 7.024 758 HB3 SER 99 3HB SER 99 -1.337 5.142 5.417 759 HG SER 99 HG SER 99 0.292 7.131 6.476 760 H LEU 100 H LEU 100 -3.887 5.453 4.848 761 HA LEU 100 HA LEU 100 -4.005 7.759 3.203 762 HB2 LEU 100 2HB LEU 100 -5.548 5.177 3.235 763 HB3 LEU 100 3HB LEU 100 -5.907 6.444 2.073 764 HG LEU 100 HG LEU 100 -3.192 5.129 2.354 765 HD11 LEU 100 1HD1 LEU 100 -4.862 3.508 1.595 766 HD12 LEU 100 2HD1 LEU 100 -3.735 3.926 0.307 767 HD13 LEU 100 3HD1 LEU 100 -5.359 4.616 0.313 768 HD21 LEU 100 3HD2 LEU 100 -2.747 6.187 0.188 769 HD22 LEU 100 1HD2 LEU 100 -3.112 7.389 1.426 770 HD23 LEU 100 2HD2 LEU 100 -4.337 6.951 0.232 771 H GLN 101 H GLN 101 -6.308 6.441 5.584 772 HA GLN 101 HA GLN 101 -8.403 8.250 4.914 773 HB2 GLN 101 2HB GLN 101 -9.530 7.490 6.909 774 HB3 GLN 101 3HB GLN 101 -8.812 6.114 6.084 775 HG2 GLN 101 2HG GLN 101 -6.967 6.116 7.689 776 HG3 GLN 101 3HG GLN 101 -7.690 7.496 8.517 777 HE21 GLN 101 1HE2 GLN 101 -9.580 7.181 9.719 778 HE22 GLN 101 2HE2 GLN 101 -10.102 5.611 10.213 779 H GLU 102 H GLU 102 -5.701 8.458 7.187 780 HA GLU 102 HA GLU 102 -6.655 10.911 8.370 781 HB2 GLU 102 2HB GLU 102 -4.518 11.008 9.518 782 HB3 GLU 102 3HB GLU 102 -5.173 9.381 9.620 783 HG2 GLU 102 2HG GLU 102 -3.657 8.622 7.895 784 HG3 GLU 102 3HG GLU 102 -3.050 10.261 7.670 785 H LEU 103 H LEU 103 -4.284 10.062 5.860 786 HA LEU 103 HA LEU 103 -3.175 12.597 5.443 787 HB2 LEU 103 2HB LEU 103 -2.217 10.552 4.509 788 HB3 LEU 103 3HB LEU 103 -3.602 10.361 3.452 789 HG LEU 103 HG LEU 103 -2.979 12.497 2.321 790 HD11 LEU 103 1HD1 LEU 103 -0.748 13.427 2.675 791 HD12 LEU 103 2HD1 LEU 103 -0.483 12.299 4.007 792 HD13 LEU 103 3HD1 LEU 103 -1.732 13.540 4.133 793 HD21 LEU 103 3HD2 LEU 103 -1.100 11.570 1.066 794 HD22 LEU 103 1HD2 LEU 103 -2.329 10.343 1.375 795 HD23 LEU 103 2HD2 LEU 103 -0.844 10.364 2.328 796 H GLN 104 H GLN 104 -5.897 11.068 3.693 797 HA GLN 104 HA GLN 104 -6.335 13.079 1.828 798 HB2 GLN 104 2HB GLN 104 -8.597 12.148 1.567 799 HB3 GLN 104 3HB GLN 104 -7.371 10.893 1.643 800 HG2 GLN 104 2HG GLN 104 -7.950 10.507 4.013 801 HG3 GLN 104 3HG GLN 104 -9.228 11.713 3.871 802 HE21 GLN 104 1HE2 GLN 104 -8.195 8.522 2.954 803 HE22 GLN 104 2HE2 GLN 104 -9.735 7.973 2.391 804 H VAL 105 H VAL 105 -7.334 13.000 5.189 805 HA VAL 105 HA VAL 105 -8.946 15.433 4.821 806 HB VAL 105 HB VAL 105 -9.746 15.087 7.109 807 HG11 VAL 105 1HG1 VAL 105 -11.006 13.019 6.745 808 HG12 VAL 105 2HG1 VAL 105 -9.907 12.573 5.439 809 HG13 VAL 105 3HG1 VAL 105 -10.939 13.996 5.279 810 HG21 VAL 105 3HG2 VAL 105 -9.138 13.059 8.369 811 HG22 VAL 105 1HG2 VAL 105 -7.745 14.108 8.104 812 HG23 VAL 105 2HG2 VAL 105 -7.951 12.652 7.130 813 H SER 106 H SER 106 -5.851 14.444 5.970 814 HA SER 106 HA SER 106 -5.462 17.033 7.352 815 HB2 SER 106 2HB SER 106 -4.118 14.363 7.833 816 HB3 SER 106 3HB SER 106 -3.580 15.873 8.568 817 HG SER 106 HG SER 106 -5.665 14.254 9.248 818 H SER 107 H SER 107 -5.023 16.142 4.427 819 HA SER 107 HA SER 107 -2.280 16.231 3.814 820 HB2 SER 107 2HB SER 107 -2.957 16.822 1.546 821 HB3 SER 107 3HB SER 107 -4.060 15.606 2.189 822 HG SER 107 HG SER 107 -5.617 17.145 2.452 823 H ALA 108 H ALA 108 -4.651 18.879 3.829 824 HA ALA 108 HA ALA 108 -4.490 21.109 4.211 825 HB1 ALA 108 3HB ALA 108 -3.260 20.442 6.229 826 HB2 ALA 108 1HB ALA 108 -2.692 21.981 5.582 827 HB3 ALA 108 2HB ALA 108 -1.748 20.513 5.324 828 H ALA 109 H ALA 109 -1.104 20.358 3.376 829 HA ALA 109 HA ALA 109 -0.556 22.513 1.750 830 HB1 ALA 109 3HB ALA 109 1.226 21.117 0.781 831 HB2 ALA 109 1HB ALA 109 0.488 19.691 1.511 832 HB3 ALA 109 2HB ALA 109 1.141 20.970 2.535 833 H ALA 110 H ALA 110 -2.292 19.579 0.909 834 HA ALA 110 HA ALA 110 -3.703 19.091 -0.798 835 HB1 ALA 110 3HB ALA 110 -3.102 21.843 -1.886 836 HB2 ALA 110 1HB ALA 110 -4.412 21.435 -0.778 837 HB3 ALA 110 2HB ALA 110 -4.400 20.771 -2.411 838 H GLY 111 H GLY 111 -0.732 20.729 -1.954 839 HA2 GLY 111 2HA GLY 111 -0.168 18.354 -3.570 840 HA3 GLY 111 3HA GLY 111 -0.302 19.883 -4.425 841 H VAL 112 H VAL 112 1.292 18.757 -1.434 842 HA VAL 112 HA VAL 112 3.879 19.567 -2.585 843 HB VAL 112 HB VAL 112 3.041 20.128 0.275 844 HG11 VAL 112 1HG1 VAL 112 5.412 19.595 0.131 845 HG12 VAL 112 2HG1 VAL 112 5.203 21.319 0.440 846 HG13 VAL 112 3HG1 VAL 112 5.618 20.759 -1.180 847 HG21 VAL 112 3HG2 VAL 112 3.514 22.057 -2.006 848 HG22 VAL 112 1HG2 VAL 112 3.190 22.506 -0.330 849 HG23 VAL 112 2HG2 VAL 112 1.955 21.672 -1.275 850 HA PRO 113 HA PRO 113 4.849 15.445 -0.989 851 HB2 PRO 113 2HB PRO 113 7.254 15.153 -2.129 852 HB3 PRO 113 3HB PRO 113 5.780 15.157 -3.107 853 HG2 PRO 113 2HG PRO 113 7.747 17.374 -2.640 854 HG3 PRO 113 3HG PRO 113 6.976 16.868 -4.154 855 HD2 PRO 113 2HD PRO 113 6.116 18.984 -2.603 856 HD3 PRO 113 3HD PRO 113 5.076 18.084 -3.725 857 H GLY 114 H GLY 114 6.262 14.515 0.589 858 HA2 GLY 114 2HA GLY 114 7.850 14.446 2.267 859 HA3 GLY 114 3HA GLY 114 8.514 15.945 1.649 860 H THR 115 H THR 115 6.233 17.594 1.946 861 HA THR 115 HA THR 115 6.619 18.763 4.359 862 HB THR 115 HB THR 115 5.349 19.872 2.626 863 HG1 THR 115 HG1 THR 115 3.363 20.326 4.167 864 HG21 THR 115 3HG2 THR 115 2.986 19.323 2.190 865 HG22 THR 115 1HG2 THR 115 3.109 17.938 3.277 866 HG23 THR 115 2HG2 THR 115 4.044 17.975 1.781 867 H ASN 116 H ASN 116 4.324 16.136 3.770 868 HA ASN 116 HA ASN 116 3.580 16.163 6.621 869 HB2 ASN 116 2HB ASN 116 2.210 14.873 4.246 870 HB3 ASN 116 3HB ASN 116 1.665 14.724 5.916 871 HD21 ASN 116 1HD2 ASN 116 0.373 15.921 3.554 872 HD22 ASN 116 2HD2 ASN 116 -0.020 17.534 4.023 873 HA PRO 117 HA PRO 117 6.339 12.658 7.189 874 HB2 PRO 117 2HB PRO 117 5.151 11.789 9.554 875 HB3 PRO 117 3HB PRO 117 6.416 13.015 9.439 876 HG2 PRO 117 2HG PRO 117 3.449 13.365 9.667 877 HG3 PRO 117 3HG PRO 117 4.751 14.279 10.458 878 HD2 PRO 117 2HD PRO 117 3.450 15.288 8.351 879 HD3 PRO 117 3HD PRO 117 5.202 15.530 8.535 880 H VAL 118 H VAL 118 2.836 12.436 7.343 881 HA VAL 118 HA VAL 118 2.414 9.696 7.304 882 HB VAL 118 HB VAL 118 0.820 11.791 5.806 883 HG11 VAL 118 1HG1 VAL 118 0.235 9.527 5.107 884 HG12 VAL 118 2HG1 VAL 118 -1.068 10.237 6.059 885 HG13 VAL 118 3HG1 VAL 118 0.010 9.050 6.792 886 HG21 VAL 118 3HG2 VAL 118 1.073 12.408 8.139 887 HG22 VAL 118 1HG2 VAL 118 0.566 10.797 8.649 888 HG23 VAL 118 2HG2 VAL 118 -0.580 11.869 7.842 889 H LEU 119 H LEU 119 3.329 11.842 4.655 890 HA LEU 119 HA LEU 119 2.945 10.069 2.499 891 HB2 LEU 119 2HB LEU 119 5.037 12.241 2.781 892 HB3 LEU 119 3HB LEU 119 4.515 11.506 1.275 893 HG LEU 119 HG LEU 119 2.789 13.198 3.094 894 HD11 LEU 119 1HD1 LEU 119 4.033 13.831 0.418 895 HD12 LEU 119 2HD1 LEU 119 4.453 14.549 1.973 896 HD13 LEU 119 3HD1 LEU 119 2.866 14.843 1.268 897 HD21 LEU 119 3HD2 LEU 119 1.459 11.520 1.964 898 HD22 LEU 119 1HD2 LEU 119 2.180 11.951 0.412 899 HD23 LEU 119 2HD2 LEU 119 1.151 13.106 1.260 900 H ASN 120 H ASN 120 5.765 10.624 4.592 901 HA ASN 120 HA ASN 120 7.480 8.724 3.366 902 HB2 ASN 120 2HB ASN 120 7.483 9.678 6.242 903 HB3 ASN 120 3HB ASN 120 8.823 8.903 5.404 904 HD21 ASN 120 1HD2 ASN 120 8.669 11.513 6.691 905 HD22 ASN 120 2HD2 ASN 120 9.095 12.663 5.474 906 H ASN 121 H ASN 121 5.244 8.520 6.124 907 HA ASN 121 HA ASN 121 5.648 5.868 6.867 908 HB2 ASN 121 2HB ASN 121 3.101 7.509 6.897 909 HB3 ASN 121 3HB ASN 121 3.270 5.944 7.690 910 HD21 ASN 121 1HD2 ASN 121 2.865 6.889 9.716 911 HD22 ASN 121 2HD2 ASN 121 4.065 7.829 10.523 912 H LEU 122 H LEU 122 3.410 7.158 4.399 913 HA LEU 122 HA LEU 122 2.361 4.753 3.463 914 HB2 LEU 122 2HB LEU 122 2.987 7.329 2.024 915 HB3 LEU 122 3HB LEU 122 2.209 5.980 1.221 916 HG LEU 122 HG LEU 122 1.094 7.474 3.606 917 HD11 LEU 122 1HD1 LEU 122 1.050 8.821 1.573 918 HD12 LEU 122 2HD1 LEU 122 -0.576 8.308 2.018 919 HD13 LEU 122 3HD1 LEU 122 0.270 7.501 0.698 920 HD21 LEU 122 3HD2 LEU 122 0.413 5.137 3.621 921 HD22 LEU 122 1HD2 LEU 122 -0.090 5.252 1.933 922 HD23 LEU 122 2HD2 LEU 122 -0.946 6.168 3.174 923 H LEU 123 H LEU 123 5.291 6.468 2.357 924 HA LEU 123 HA LEU 123 6.135 4.763 0.364 925 HB2 LEU 123 2HB LEU 123 7.213 6.907 0.933 926 HB3 LEU 123 3HB LEU 123 7.869 6.189 2.391 927 HG LEU 123 HG LEU 123 9.220 4.643 1.015 928 HD11 LEU 123 1HD1 LEU 123 7.778 4.535 -0.954 929 HD12 LEU 123 2HD1 LEU 123 9.420 5.000 -1.392 930 HD13 LEU 123 3HD1 LEU 123 8.147 6.220 -1.326 931 HD21 LEU 123 3HD2 LEU 123 10.821 6.299 0.195 932 HD22 LEU 123 1HD2 LEU 123 10.187 6.756 1.774 933 HD23 LEU 123 2HD2 LEU 123 9.595 7.561 0.321 934 H SER 124 H SER 124 7.018 4.542 3.823 935 HA SER 124 HA SER 124 8.496 2.167 3.684 936 HB2 SER 124 2HB SER 124 8.536 3.598 5.666 937 HB3 SER 124 3HB SER 124 6.846 3.219 5.999 938 HG SER 124 HG SER 124 8.146 1.906 7.267 939 H CYS 125 H CYS 125 5.031 2.578 4.481 940 HA CYS 125 HA CYS 125 4.425 -0.131 4.885 941 HB2 CYS 125 2HB CYS 125 2.614 2.077 3.866 942 HB3 CYS 125 3HB CYS 125 2.063 0.520 4.478 943 HG CYS 125 HG CYS 125 3.172 1.012 7.073 944 H VAL 126 H VAL 126 4.192 1.802 1.904 945 HA VAL 126 HA VAL 126 3.101 -0.206 0.260 946 HB VAL 126 HB VAL 126 4.829 2.152 -0.524 947 HG11 VAL 126 1HG1 VAL 126 3.015 0.423 -2.220 948 HG12 VAL 126 2HG1 VAL 126 4.775 0.494 -2.312 949 HG13 VAL 126 3HG1 VAL 126 3.813 1.902 -2.757 950 HG21 VAL 126 3HG2 VAL 126 1.822 1.848 -0.448 951 HG22 VAL 126 1HG2 VAL 126 2.705 3.271 -1.001 952 HG23 VAL 126 2HG2 VAL 126 2.793 2.781 0.690 953 H GLN 127 H GLN 127 6.498 0.790 0.730 954 HA GLN 127 HA GLN 127 7.692 -1.075 -0.986 955 HB2 GLN 127 2HB GLN 127 8.742 0.126 1.590 956 HB3 GLN 127 3HB GLN 127 9.725 -0.785 0.453 957 HG2 GLN 127 2HG GLN 127 9.386 0.872 -1.259 958 HG3 GLN 127 3HG GLN 127 8.248 1.749 -0.237 959 HE21 GLN 127 1HE2 GLN 127 10.718 2.670 -1.459 960 HE22 GLN 127 2HE2 GLN 127 11.708 3.231 -0.160 961 H GLU 128 H GLU 128 6.856 -1.362 2.465 962 HA GLU 128 HA GLU 128 7.801 -3.962 2.913 963 HB2 GLU 128 2HB GLU 128 7.051 -2.399 4.686 964 HB3 GLU 128 3HB GLU 128 5.390 -2.606 4.150 965 HG2 GLU 128 2HG GLU 128 5.742 -3.946 6.098 966 HG3 GLU 128 3HG GLU 128 5.550 -5.014 4.709 967 H ILE 129 H ILE 129 4.474 -2.938 2.078 968 HA ILE 129 HA ILE 129 3.288 -5.437 1.853 969 HB ILE 129 HB ILE 129 2.685 -2.915 0.289 970 HG12 ILE 129 2HG1 ILE 129 1.392 -4.097 2.767 971 HG13 ILE 129 3HG1 ILE 129 2.469 -2.707 2.740 972 HG21 ILE 129 1HG2 ILE 129 1.755 -4.809 -0.908 973 HG22 ILE 129 2HG2 ILE 129 0.457 -3.903 -0.133 974 HG23 ILE 129 3HG2 ILE 129 1.017 -5.420 0.572 975 HD11 ILE 129 3HD1 ILE 129 -0.237 -2.859 1.433 976 HD12 ILE 129 1HD1 ILE 129 0.844 -1.464 1.418 977 HD13 ILE 129 2HD1 ILE 129 0.153 -2.029 2.939 978 H SER 130 H SER 130 4.734 -3.517 -0.799 979 HA SER 130 HA SER 130 4.339 -5.425 -2.826 980 HB2 SER 130 2HB SER 130 6.052 -4.166 -4.108 981 HB3 SER 130 3HB SER 130 4.852 -3.108 -3.371 982 HG SER 130 HG SER 130 6.350 -2.587 -1.766 983 H ASP 131 H ASP 131 7.007 -5.022 -0.531 984 HA ASP 131 HA ASP 131 8.729 -6.944 -1.709 985 HB2 ASP 131 2HB ASP 131 9.392 -5.189 -0.028 986 HB3 ASP 131 3HB ASP 131 8.616 -6.166 1.213 987 H VAL 132 H VAL 132 6.225 -7.187 0.813 988 HA VAL 132 HA VAL 132 6.564 -9.896 1.466 989 HB VAL 132 HB VAL 132 3.979 -8.315 1.418 990 HG11 VAL 132 1HG1 VAL 132 4.654 -10.908 2.825 991 HG12 VAL 132 2HG1 VAL 132 3.535 -10.711 1.475 992 HG13 VAL 132 3HG1 VAL 132 3.164 -9.987 3.039 993 HG21 VAL 132 3HG2 VAL 132 5.669 -7.286 2.851 994 HG22 VAL 132 1HG2 VAL 132 5.926 -8.823 3.676 995 HG23 VAL 132 2HG2 VAL 132 4.378 -7.990 3.822 996 H VAL 133 H VAL 133 4.701 -8.374 -1.133 997 HA VAL 133 HA VAL 133 3.485 -10.674 -2.194 998 HB VAL 133 HB VAL 133 4.393 -8.178 -3.653 999 HG11 VAL 133 1HG1 VAL 133 2.390 -10.276 -4.499 1000 HG12 VAL 133 2HG1 VAL 133 3.964 -9.982 -5.239 1001 HG13 VAL 133 3HG1 VAL 133 2.700 -8.756 -5.339 1002 HG21 VAL 133 3HG2 VAL 133 2.059 -7.449 -3.371 1003 HG22 VAL 133 1HG2 VAL 133 2.877 -7.671 -1.825 1004 HG23 VAL 133 2HG2 VAL 133 1.737 -8.888 -2.404 1005 H GLN 134 H GLN 134 6.764 -9.535 -2.413 1006 HA GLN 134 HA GLN 134 7.460 -11.251 -4.653 1007 HB2 GLN 134 2HB GLN 134 9.224 -9.557 -2.866 1008 HB3 GLN 134 3HB GLN 134 9.717 -10.333 -4.368 1009 HG2 GLN 134 2HG GLN 134 8.185 -8.938 -5.627 1010 HG3 GLN 134 3HG GLN 134 7.593 -8.206 -4.136 1011 HE21 GLN 134 1HE2 GLN 134 8.839 -6.960 -6.455 1012 HE22 GLN 134 2HE2 GLN 134 10.220 -6.120 -5.854 1013 H ARG 135 H ARG 135 6.963 -11.833 -1.426 1014 HA ARG 135 HA ARG 135 9.160 -13.753 -1.108 1015 HB2 ARG 135 2HB ARG 135 7.020 -12.980 0.891 1016 HB3 ARG 135 3HB ARG 135 8.493 -13.885 1.219 1017 HG2 ARG 135 2HG ARG 135 9.848 -11.947 0.744 1018 HG3 ARG 135 3HG ARG 135 8.423 -11.031 0.253 1019 HD2 ARG 135 2HD ARG 135 7.537 -11.448 2.607 1020 HD3 ARG 135 3HD ARG 135 9.170 -11.986 3.010 1021 HE ARG 135 HE ARG 135 9.536 -9.552 1.843 1022 HH11 ARG 135 1HH1 ARG 135 7.720 -10.681 4.548 1023 HH12 ARG 135 2HH1 ARG 135 7.731 -9.145 5.334 1024 HH21 ARG 135 1HH2 ARG 135 9.556 -7.604 2.854 1025 HH22 ARG 135 2HH2 ARG 135 8.750 -7.403 4.374 Start of MODEL 7 1 H1 MET 1 1H MET 1 -7.543 31.856 -6.006 2 H2 MET 1 2H MET 1 -6.836 32.805 -4.802 3 H3 MET 1 3H MET 1 -7.400 33.529 -6.220 4 HA MET 1 HA MET 1 -9.070 32.172 -4.175 5 HB2 MET 1 2HB MET 1 -9.878 34.369 -3.572 6 HB3 MET 1 3HB MET 1 -8.122 34.371 -3.476 7 HG2 MET 1 2HG MET 1 -9.812 35.545 -5.675 8 HG3 MET 1 3HG MET 1 -8.884 36.427 -4.461 9 HE1 MET 1 3HE MET 1 -6.952 37.175 -7.788 10 HE2 MET 1 1HE MET 1 -7.804 37.869 -6.411 11 HE3 MET 1 2HE MET 1 -8.692 36.955 -7.628 12 H GLY 2 H GLY 2 -9.031 31.591 -7.046 13 HA2 GLY 2 2HA GLY 2 -11.083 33.067 -8.383 14 HA3 GLY 2 3HA GLY 2 -10.353 31.571 -8.929 15 H HIS 3 H HIS 3 -12.435 30.880 -9.664 16 HA HIS 3 HA HIS 3 -14.640 30.740 -7.817 17 HB2 HIS 3 2HB HIS 3 -14.301 29.813 -10.665 18 HB3 HIS 3 3HB HIS 3 -15.775 29.515 -9.748 19 HD1 HIS 3 HD1 HIS 3 -17.004 31.756 -8.844 20 HD2 HIS 3 HD2 HIS 3 -14.204 32.268 -11.870 21 HE1 HIS 3 HE1 HIS 3 -17.471 34.023 -9.816 22 HE2 HIS 3 HE2 HIS 3 -15.699 34.358 -11.567 23 H HIS 4 H HIS 4 -13.563 29.434 -6.193 24 HA HIS 4 HA HIS 4 -14.168 26.580 -6.690 25 HB2 HIS 4 2HB HIS 4 -12.561 26.001 -4.903 26 HB3 HIS 4 3HB HIS 4 -11.774 26.840 -6.235 27 HD1 HIS 4 HD1 HIS 4 -12.805 27.319 -2.655 28 HD2 HIS 4 HD2 HIS 4 -10.580 29.259 -5.573 29 HE1 HIS 4 HE1 HIS 4 -11.575 29.142 -1.455 30 HE2 HIS 4 HE2 HIS 4 -10.055 30.127 -3.193 31 H HIS 5 H HIS 5 -15.563 29.118 -5.686 32 HA HIS 5 HA HIS 5 -16.295 28.763 -2.969 33 HB2 HIS 5 2HB HIS 5 -16.376 30.911 -4.201 34 HB3 HIS 5 3HB HIS 5 -17.668 30.279 -5.208 35 HD1 HIS 5 HD1 HIS 5 -17.053 32.158 -2.191 36 HD2 HIS 5 HD2 HIS 5 -20.136 29.778 -3.640 37 HE1 HIS 5 HE1 HIS 5 -19.062 32.763 -0.826 38 HE2 HIS 5 HE2 HIS 5 -20.857 31.179 -1.587 39 H HIS 6 H HIS 6 -17.581 27.526 -5.987 40 HA HIS 6 HA HIS 6 -19.968 26.484 -4.593 41 HB2 HIS 6 2HB HIS 6 -20.385 28.190 -6.352 42 HB3 HIS 6 3HB HIS 6 -19.621 27.135 -7.533 43 HD1 HIS 6 HD1 HIS 6 -22.805 27.762 -5.776 44 HD2 HIS 6 HD2 HIS 6 -21.166 24.814 -8.198 45 HE1 HIS 6 HE1 HIS 6 -24.743 26.372 -6.547 46 HE2 HIS 6 HE2 HIS 6 -23.749 24.746 -8.183 47 H HIS 7 H HIS 7 -19.903 24.333 -4.249 48 HA HIS 7 HA HIS 7 -18.281 22.538 -5.807 49 HB2 HIS 7 2HB HIS 7 -20.398 22.057 -3.701 50 HB3 HIS 7 3HB HIS 7 -19.528 20.748 -4.498 51 HD1 HIS 7 HD1 HIS 7 -19.125 23.420 -1.924 52 HD2 HIS 7 HD2 HIS 7 -16.809 20.494 -3.752 53 HE1 HIS 7 HE1 HIS 7 -17.038 23.260 -0.547 54 HE2 HIS 7 HE2 HIS 7 -15.586 21.610 -1.762 55 H HIS 8 H HIS 8 -18.785 22.032 -7.841 56 HA HIS 8 HA HIS 8 -21.499 22.495 -8.795 57 HB2 HIS 8 2HB HIS 8 -19.568 23.583 -9.891 58 HB3 HIS 8 3HB HIS 8 -18.934 22.002 -10.322 59 HD1 HIS 8 HD1 HIS 8 -19.828 20.929 -12.421 60 HD2 HIS 8 HD2 HIS 8 -21.940 24.334 -11.329 61 HE1 HIS 8 HE1 HIS 8 -21.318 21.444 -14.366 62 HE2 HIS 8 HE2 HIS 8 -22.486 23.578 -13.741 63 H SER 9 H SER 9 -19.984 19.834 -7.649 64 HA SER 9 HA SER 9 -21.424 18.027 -9.498 65 HB2 SER 9 2HB SER 9 -18.974 17.914 -9.869 66 HB3 SER 9 3HB SER 9 -18.757 17.443 -8.184 67 HG SER 9 HG SER 9 -18.806 15.629 -9.570 68 H HIS 10 H HIS 10 -21.511 15.709 -8.457 69 HA HIS 10 HA HIS 10 -21.854 15.503 -5.634 70 HB2 HIS 10 2HB HIS 10 -23.811 16.962 -6.243 71 HB3 HIS 10 3HB HIS 10 -24.408 15.662 -7.264 72 HD1 HIS 10 HD1 HIS 10 -25.497 13.634 -6.090 73 HD2 HIS 10 HD2 HIS 10 -24.143 16.571 -3.475 74 HE1 HIS 10 HE1 HIS 10 -26.484 13.055 -3.855 75 HE2 HIS 10 HE2 HIS 10 -25.647 14.834 -2.290 76 H MET 11 H MET 11 -22.873 13.361 -5.025 77 HA MET 11 HA MET 11 -22.028 11.238 -6.743 78 HB2 MET 11 2HB MET 11 -23.755 11.150 -4.257 79 HB3 MET 11 3HB MET 11 -23.033 9.749 -5.038 80 HG2 MET 11 2HG MET 11 -20.803 10.627 -4.556 81 HG3 MET 11 3HG MET 11 -21.526 12.038 -3.782 82 HE1 MET 11 3HE MET 11 -20.095 11.593 -1.593 83 HE2 MET 11 1HE MET 11 -19.357 10.173 -2.339 84 HE3 MET 11 2HE MET 11 -20.071 10.057 -0.731 85 H ALA 12 H ALA 12 -23.384 9.515 -7.611 86 HA ALA 12 HA ALA 12 -25.922 10.556 -8.674 87 HB1 ALA 12 3HB ALA 12 -24.253 8.210 -9.587 88 HB2 ALA 12 1HB ALA 12 -24.268 9.818 -10.311 89 HB3 ALA 12 2HB ALA 12 -25.713 8.808 -10.378 90 H ASN 13 H ASN 13 -27.704 8.948 -9.007 91 HA ASN 13 HA ASN 13 -28.382 7.832 -6.446 92 HB2 ASN 13 2HB ASN 13 -29.885 7.937 -9.068 93 HB3 ASN 13 3HB ASN 13 -30.565 7.296 -7.576 94 HD21 ASN 13 1HD2 ASN 13 -29.566 10.157 -9.259 95 HD22 ASN 13 2HD2 ASN 13 -30.271 11.286 -8.162 96 H GLY 14 H GLY 14 -26.438 6.494 -8.619 97 HA2 GLY 14 2HA GLY 14 -27.604 3.794 -8.521 98 HA3 GLY 14 3HA GLY 14 -26.248 4.294 -9.516 99 H ALA 15 H ALA 15 -26.445 5.098 -6.112 100 HA ALA 15 HA ALA 15 -23.970 3.615 -5.646 101 HB1 ALA 15 3HB ALA 15 -25.419 5.574 -3.860 102 HB2 ALA 15 1HB ALA 15 -24.086 5.959 -4.950 103 HB3 ALA 15 2HB ALA 15 -23.815 4.891 -3.572 104 H ALA 16 H ALA 16 -27.003 4.048 -3.803 105 HA ALA 16 HA ALA 16 -26.526 1.786 -2.134 106 HB1 ALA 16 3HB ALA 16 -27.845 3.733 -1.409 107 HB2 ALA 16 1HB ALA 16 -28.741 2.223 -1.228 108 HB3 ALA 16 2HB ALA 16 -29.099 3.306 -2.572 109 H GLY 17 H GLY 17 -26.563 -0.249 -2.903 110 HA2 GLY 17 2HA GLY 17 -27.655 -2.207 -3.514 111 HA3 GLY 17 3HA GLY 17 -29.042 -1.268 -4.012 112 H THR 18 H THR 18 -28.045 0.340 -5.933 113 HA THR 18 HA THR 18 -28.295 -1.201 -8.204 114 HB THR 18 HB THR 18 -26.831 1.445 -8.097 115 HG1 THR 18 HG1 THR 18 -29.533 0.756 -7.841 116 HG21 THR 18 3HG2 THR 18 -26.632 0.319 -10.264 117 HG22 THR 18 1HG2 THR 18 -27.685 1.729 -10.390 118 HG23 THR 18 2HG2 THR 18 -28.381 0.110 -10.326 119 H LYS 19 H LYS 19 -25.196 0.173 -7.008 120 HA LYS 19 HA LYS 19 -23.697 -1.341 -8.951 121 HB2 LYS 19 2HB LYS 19 -21.702 -0.364 -7.884 122 HB3 LYS 19 3HB LYS 19 -22.888 0.854 -8.330 123 HG2 LYS 19 2HG LYS 19 -23.574 1.133 -6.055 124 HG3 LYS 19 3HG LYS 19 -22.621 -0.259 -5.541 125 HD2 LYS 19 2HD LYS 19 -21.492 1.827 -4.958 126 HD3 LYS 19 3HD LYS 19 -20.556 0.920 -6.148 127 HE2 LYS 19 2HE LYS 19 -21.510 2.359 -7.932 128 HE3 LYS 19 3HE LYS 19 -22.343 3.299 -6.693 129 HZ1 LYS 19 3HZ LYS 19 -20.300 4.377 -7.334 130 HZ2 LYS 19 1HZ LYS 19 -19.398 2.993 -6.975 131 HZ3 LYS 19 2HZ LYS 19 -20.174 3.847 -5.739 132 H VAL 20 H VAL 20 -24.487 -1.721 -5.533 133 HA VAL 20 HA VAL 20 -23.033 -4.290 -5.555 134 HB VAL 20 HB VAL 20 -23.102 -2.378 -3.204 135 HG11 VAL 20 1HG1 VAL 20 -21.545 -3.988 -2.150 136 HG12 VAL 20 2HG1 VAL 20 -21.796 -5.086 -3.508 137 HG13 VAL 20 3HG1 VAL 20 -23.143 -4.677 -2.446 138 HG21 VAL 20 3HG2 VAL 20 -20.799 -3.178 -4.990 139 HG22 VAL 20 1HG2 VAL 20 -20.677 -2.173 -3.545 140 HG23 VAL 20 2HG2 VAL 20 -21.579 -1.600 -4.945 141 H ALA 21 H ALA 21 -24.864 -5.528 -5.835 142 HA ALA 21 HA ALA 21 -26.478 -5.857 -3.406 143 HB1 ALA 21 3HB ALA 21 -27.849 -4.515 -4.952 144 HB2 ALA 21 1HB ALA 21 -28.551 -6.110 -4.662 145 HB3 ALA 21 2HB ALA 21 -27.700 -5.780 -6.174 146 H LEU 22 H LEU 22 -26.692 -7.363 -6.630 147 HA LEU 22 HA LEU 22 -26.720 -10.003 -5.516 148 HB2 LEU 22 2HB LEU 22 -26.462 -9.108 -8.394 149 HB3 LEU 22 3HB LEU 22 -26.800 -10.746 -7.866 150 HG LEU 22 HG LEU 22 -28.606 -8.351 -7.457 151 HD11 LEU 22 1HD1 LEU 22 -30.093 -9.455 -9.039 152 HD12 LEU 22 2HD1 LEU 22 -28.916 -10.750 -9.263 153 HD13 LEU 22 3HD1 LEU 22 -28.532 -9.108 -9.782 154 HD21 LEU 22 3HD2 LEU 22 -30.244 -9.997 -6.637 155 HD22 LEU 22 1HD2 LEU 22 -28.818 -9.901 -5.604 156 HD23 LEU 22 2HD2 LEU 22 -29.006 -11.252 -6.723 157 H ARG 23 H ARG 23 -24.191 -7.953 -6.027 158 HA ARG 23 HA ARG 23 -22.219 -9.775 -7.031 159 HB2 ARG 23 2HB ARG 23 -22.096 -7.319 -7.379 160 HB3 ARG 23 3HB ARG 23 -21.874 -7.098 -5.651 161 HG2 ARG 23 2HG ARG 23 -19.751 -8.294 -5.754 162 HG3 ARG 23 3HG ARG 23 -19.982 -8.575 -7.481 163 HD2 ARG 23 2HD ARG 23 -19.999 -6.138 -7.858 164 HD3 ARG 23 3HD ARG 23 -19.728 -5.881 -6.134 165 HE ARG 23 HE ARG 23 -17.706 -7.538 -7.228 166 HH11 ARG 23 1HH1 ARG 23 -18.763 -4.255 -7.214 167 HH12 ARG 23 2HH1 ARG 23 -17.168 -3.627 -7.431 168 HH21 ARG 23 1HH2 ARG 23 -15.676 -6.727 -7.519 169 HH22 ARG 23 2HH2 ARG 23 -15.425 -5.020 -7.588 170 H LYS 24 H LYS 24 -22.803 -11.443 -5.463 171 HA LYS 24 HA LYS 24 -21.810 -11.051 -2.731 172 HB2 LYS 24 2HB LYS 24 -23.460 -13.237 -4.004 173 HB3 LYS 24 3HB LYS 24 -22.855 -13.334 -2.356 174 HG2 LYS 24 2HG LYS 24 -24.655 -11.137 -3.382 175 HG3 LYS 24 3HG LYS 24 -25.212 -12.575 -2.522 176 HD2 LYS 24 2HD LYS 24 -23.853 -11.940 -0.578 177 HD3 LYS 24 3HD LYS 24 -23.294 -10.501 -1.433 178 HE2 LYS 24 2HE LYS 24 -25.570 -9.633 -1.501 179 HE3 LYS 24 3HE LYS 24 -26.175 -11.102 -0.737 180 HZ1 LYS 24 3HZ LYS 24 -24.266 -9.203 0.519 181 HZ2 LYS 24 1HZ LYS 24 -24.947 -10.569 1.247 182 HZ3 LYS 24 2HZ LYS 24 -25.927 -9.258 0.831 183 H THR 25 H THR 25 -21.427 -13.557 -5.299 184 HA THR 25 HA THR 25 -18.815 -14.239 -4.088 185 HB THR 25 HB THR 25 -20.445 -15.921 -3.377 186 HG1 THR 25 HG1 THR 25 -19.022 -17.473 -3.701 187 HG21 THR 25 3HG2 THR 25 -21.496 -17.427 -5.023 188 HG22 THR 25 1HG2 THR 25 -20.859 -16.434 -6.332 189 HG23 THR 25 2HG2 THR 25 -22.049 -15.765 -5.214 190 H LYS 26 H LYS 26 -17.769 -16.045 -5.648 191 HA LYS 26 HA LYS 26 -17.187 -14.622 -8.102 192 HB2 LYS 26 2HB LYS 26 -16.080 -17.263 -7.105 193 HB3 LYS 26 3HB LYS 26 -15.397 -16.255 -8.375 194 HG2 LYS 26 2HG LYS 26 -14.882 -14.516 -6.756 195 HG3 LYS 26 3HG LYS 26 -15.640 -15.461 -5.472 196 HD2 LYS 26 2HD LYS 26 -13.973 -17.244 -5.820 197 HD3 LYS 26 3HD LYS 26 -13.206 -16.272 -7.077 198 HE2 LYS 26 2HE LYS 26 -11.972 -16.056 -5.006 199 HE3 LYS 26 3HE LYS 26 -12.740 -14.518 -5.395 200 HZ1 LYS 26 3HZ LYS 26 -13.796 -16.510 -3.460 201 HZ2 LYS 26 1HZ LYS 26 -14.462 -14.992 -3.792 202 HZ3 LYS 26 2HZ LYS 26 -12.950 -15.109 -3.044 203 H GLN 27 H GLN 27 -16.935 -15.929 -10.182 204 HA GLN 27 HA GLN 27 -18.968 -18.039 -10.442 205 HB2 GLN 27 2HB GLN 27 -19.695 -17.096 -12.613 206 HB3 GLN 27 3HB GLN 27 -20.033 -16.029 -11.260 207 HG2 GLN 27 2HG GLN 27 -18.201 -14.592 -11.849 208 HG3 GLN 27 3HG GLN 27 -17.656 -15.719 -13.089 209 HE21 GLN 27 1HE2 GLN 27 -18.848 -15.893 -15.011 210 HE22 GLN 27 2HE2 GLN 27 -19.958 -14.670 -15.504 211 H ALA 28 H ALA 28 -16.277 -16.446 -12.216 212 HA ALA 28 HA ALA 28 -15.269 -19.076 -13.004 213 HB1 ALA 28 3HB ALA 28 -16.845 -18.403 -14.788 214 HB2 ALA 28 1HB ALA 28 -15.184 -18.537 -15.363 215 HB3 ALA 28 2HB ALA 28 -15.886 -16.948 -15.059 216 H ALA 29 H ALA 29 -13.072 -19.103 -13.593 217 HA ALA 29 HA ALA 29 -11.391 -17.420 -12.166 218 HB1 ALA 29 3HB ALA 29 -9.544 -18.470 -13.341 219 HB2 ALA 29 1HB ALA 29 -10.645 -19.069 -14.586 220 HB3 ALA 29 2HB ALA 29 -10.771 -19.668 -12.931 221 H GLU 30 H GLU 30 -12.028 -17.336 -15.685 222 HA GLU 30 HA GLU 30 -10.329 -15.157 -16.269 223 HB2 GLU 30 2HB GLU 30 -12.751 -16.237 -17.729 224 HB3 GLU 30 3HB GLU 30 -11.676 -15.011 -18.393 225 HG2 GLU 30 2HG GLU 30 -9.847 -16.523 -18.469 226 HG3 GLU 30 3HG GLU 30 -10.708 -17.715 -17.501 227 H LYS 31 H LYS 31 -13.131 -15.122 -14.465 228 HA LYS 31 HA LYS 31 -13.654 -12.280 -15.064 229 HB2 LYS 31 2HB LYS 31 -15.599 -13.685 -15.483 230 HB3 LYS 31 3HB LYS 31 -15.487 -14.378 -13.874 231 HG2 LYS 31 2HG LYS 31 -17.285 -12.708 -14.071 232 HG3 LYS 31 3HG LYS 31 -16.073 -12.258 -12.868 233 HD2 LYS 31 2HD LYS 31 -14.999 -10.800 -14.597 234 HD3 LYS 31 3HD LYS 31 -16.352 -11.165 -15.673 235 HE2 LYS 31 2HE LYS 31 -17.907 -10.133 -14.139 236 HE3 LYS 31 3HE LYS 31 -16.629 -9.910 -12.943 237 HZ1 LYS 31 3HZ LYS 31 -16.764 -8.604 -15.604 238 HZ2 LYS 31 1HZ LYS 31 -15.511 -8.412 -14.483 239 HZ3 LYS 31 2HZ LYS 31 -17.070 -7.862 -14.116 240 H ILE 32 H ILE 32 -12.447 -14.445 -12.700 241 HA ILE 32 HA ILE 32 -13.147 -12.988 -10.345 242 HB ILE 32 HB ILE 32 -10.912 -14.985 -10.798 243 HG12 ILE 32 2HG1 ILE 32 -13.618 -15.315 -9.467 244 HG13 ILE 32 3HG1 ILE 32 -13.219 -15.865 -11.089 245 HG21 ILE 32 1HG2 ILE 32 -10.798 -15.169 -8.346 246 HG22 ILE 32 2HG2 ILE 32 -11.964 -13.852 -8.196 247 HG23 ILE 32 3HG2 ILE 32 -10.373 -13.549 -8.901 248 HD11 ILE 32 3HD1 ILE 32 -11.550 -17.391 -10.153 249 HD12 ILE 32 1HD1 ILE 32 -13.165 -17.699 -9.515 250 HD13 ILE 32 2HD1 ILE 32 -11.977 -16.849 -8.528 251 H SER 33 H SER 33 -12.471 -10.985 -9.910 252 HA SER 33 HA SER 33 -10.422 -9.563 -11.111 253 HB2 SER 33 2HB SER 33 -10.578 -8.008 -9.180 254 HB3 SER 33 3HB SER 33 -12.168 -8.480 -9.777 255 HG SER 33 HG SER 33 -11.541 -8.571 -7.355 256 H ALA 34 H ALA 34 -10.312 -11.340 -8.034 257 HA ALA 34 HA ALA 34 -7.691 -10.785 -7.292 258 HB1 ALA 34 3HB ALA 34 -7.810 -12.761 -5.888 259 HB2 ALA 34 1HB ALA 34 -9.205 -13.346 -6.796 260 HB3 ALA 34 2HB ALA 34 -9.332 -11.871 -5.835 261 H ASP 35 H ASP 35 -8.826 -13.062 -9.717 262 HA ASP 35 HA ASP 35 -6.318 -14.441 -9.985 263 HB2 ASP 35 2HB ASP 35 -8.590 -15.367 -10.653 264 HB3 ASP 35 3HB ASP 35 -8.547 -14.275 -12.034 265 H LYS 36 H LYS 36 -7.921 -11.719 -11.536 266 HA LYS 36 HA LYS 36 -5.963 -11.154 -13.503 267 HB2 LYS 36 2HB LYS 36 -8.285 -10.245 -13.493 268 HB3 LYS 36 3HB LYS 36 -7.873 -9.249 -12.109 269 HG2 LYS 36 2HG LYS 36 -6.386 -8.999 -14.711 270 HG3 LYS 36 3HG LYS 36 -7.916 -8.170 -14.443 271 HD2 LYS 36 2HD LYS 36 -6.907 -7.093 -12.423 272 HD3 LYS 36 3HD LYS 36 -5.365 -7.834 -12.853 273 HE2 LYS 36 2HE LYS 36 -6.932 -5.838 -14.490 274 HE3 LYS 36 3HE LYS 36 -5.420 -5.543 -13.633 275 HZ1 LYS 36 3HZ LYS 36 -5.824 -7.299 -15.989 276 HZ2 LYS 36 1HZ LYS 36 -4.387 -7.235 -15.096 277 HZ3 LYS 36 2HZ LYS 36 -4.933 -5.867 -15.920 278 H ILE 37 H ILE 37 -6.271 -10.290 -10.100 279 HA ILE 37 HA ILE 37 -4.098 -8.420 -10.081 280 HB ILE 37 HB ILE 37 -5.239 -9.888 -7.692 281 HG12 ILE 37 2HG1 ILE 37 -7.083 -8.805 -8.864 282 HG13 ILE 37 3HG1 ILE 37 -6.723 -7.920 -7.390 283 HG21 ILE 37 1HG2 ILE 37 -4.440 -7.955 -6.422 284 HG22 ILE 37 2HG2 ILE 37 -3.799 -7.238 -7.901 285 HG23 ILE 37 3HG2 ILE 37 -3.119 -8.743 -7.284 286 HD11 ILE 37 3HD1 ILE 37 -5.922 -7.138 -10.182 287 HD12 ILE 37 1HD1 ILE 37 -5.506 -6.255 -8.713 288 HD13 ILE 37 2HD1 ILE 37 -7.193 -6.408 -9.203 289 H SER 38 H SER 38 -2.548 -9.833 -11.233 290 HA SER 38 HA SER 38 -1.362 -12.045 -9.814 291 HB2 SER 38 2HB SER 38 -0.288 -10.485 -12.187 292 HB3 SER 38 3HB SER 38 0.319 -12.035 -11.608 293 HG SER 38 HG SER 38 -1.228 -12.998 -12.653 294 H LYS 39 H LYS 39 0.953 -12.079 -9.180 295 HA LYS 39 HA LYS 39 1.628 -10.220 -7.257 296 HB2 LYS 39 2HB LYS 39 2.764 -12.293 -7.226 297 HB3 LYS 39 3HB LYS 39 3.327 -12.108 -8.881 298 HG2 LYS 39 2HG LYS 39 4.867 -10.359 -8.198 299 HG3 LYS 39 3HG LYS 39 4.267 -10.445 -6.540 300 HD2 LYS 39 2HD LYS 39 5.193 -12.597 -6.208 301 HD3 LYS 39 3HD LYS 39 5.453 -12.841 -7.937 302 HE2 LYS 39 2HE LYS 39 6.884 -10.774 -6.259 303 HE3 LYS 39 3HE LYS 39 7.540 -12.356 -6.678 304 HZ1 LYS 39 3HZ LYS 39 7.449 -11.768 -8.999 305 HZ2 LYS 39 1HZ LYS 39 8.334 -10.600 -8.158 306 HZ3 LYS 39 2HZ LYS 39 6.749 -10.274 -8.644 307 H GLU 40 H GLU 40 2.890 -10.319 -10.600 308 HA GLU 40 HA GLU 40 4.459 -8.012 -10.474 309 HB2 GLU 40 2HB GLU 40 4.325 -7.973 -12.925 310 HB3 GLU 40 3HB GLU 40 4.593 -9.606 -12.325 311 HG2 GLU 40 2HG GLU 40 2.205 -10.100 -12.635 312 HG3 GLU 40 3HG GLU 40 1.958 -8.472 -13.265 313 H ALA 41 H ALA 41 1.020 -8.357 -11.347 314 HA ALA 41 HA ALA 41 0.507 -5.735 -12.151 315 HB1 ALA 41 3HB ALA 41 -1.386 -7.637 -10.762 316 HB2 ALA 41 1HB ALA 41 -1.060 -7.593 -12.493 317 HB3 ALA 41 2HB ALA 41 -1.847 -6.223 -11.708 318 H LEU 42 H LEU 42 0.355 -7.173 -8.911 319 HA LEU 42 HA LEU 42 -0.555 -4.840 -7.575 320 HB2 LEU 42 2HB LEU 42 -0.640 -7.226 -6.730 321 HB3 LEU 42 3HB LEU 42 1.073 -7.099 -6.390 322 HG LEU 42 HG LEU 42 -0.934 -5.212 -5.141 323 HD11 LEU 42 1HD1 LEU 42 -0.973 -6.660 -3.179 324 HD12 LEU 42 2HD1 LEU 42 0.008 -7.854 -4.027 325 HD13 LEU 42 3HD1 LEU 42 -1.622 -7.490 -4.593 326 HD21 LEU 42 3HD2 LEU 42 0.806 -5.017 -3.394 327 HD22 LEU 42 1HD2 LEU 42 1.373 -4.489 -4.978 328 HD23 LEU 42 2HD2 LEU 42 1.860 -6.063 -4.348 329 H LEU 43 H LEU 43 2.712 -6.217 -8.028 330 HA LEU 43 HA LEU 43 4.127 -4.304 -6.540 331 HB2 LEU 43 2HB LEU 43 5.042 -5.931 -8.914 332 HB3 LEU 43 3HB LEU 43 6.111 -5.034 -7.848 333 HG LEU 43 HG LEU 43 4.378 -7.386 -7.054 334 HD11 LEU 43 1HD1 LEU 43 6.284 -8.026 -8.434 335 HD12 LEU 43 2HD1 LEU 43 6.491 -8.571 -6.771 336 HD13 LEU 43 3HD1 LEU 43 7.374 -7.158 -7.351 337 HD21 LEU 43 3HD2 LEU 43 6.345 -5.778 -5.413 338 HD22 LEU 43 1HD2 LEU 43 5.538 -7.261 -4.893 339 HD23 LEU 43 2HD2 LEU 43 4.593 -5.809 -5.211 340 H GLU 44 H GLU 44 3.277 -4.324 -9.994 341 HA GLU 44 HA GLU 44 4.674 -1.967 -10.691 342 HB2 GLU 44 2HB GLU 44 2.195 -3.160 -11.959 343 HB3 GLU 44 3HB GLU 44 3.205 -1.917 -12.686 344 HG2 GLU 44 2HG GLU 44 4.075 -4.723 -12.006 345 HG3 GLU 44 3HG GLU 44 3.665 -4.128 -13.611 346 H CYS 45 H CYS 45 1.254 -2.467 -9.772 347 HA CYS 45 HA CYS 45 0.477 0.237 -9.898 348 HB2 CYS 45 2HB CYS 45 -0.611 -2.018 -8.197 349 HB3 CYS 45 3HB CYS 45 -1.385 -0.446 -8.355 350 HG CYS 45 HG CYS 45 -1.010 -2.833 -10.764 351 H ALA 46 H ALA 46 1.840 -1.661 -7.226 352 HA ALA 46 HA ALA 46 1.669 0.391 -5.261 353 HB1 ALA 46 3HB ALA 46 3.173 -1.020 -3.941 354 HB2 ALA 46 1HB ALA 46 3.490 -2.016 -5.363 355 HB3 ALA 46 2HB ALA 46 1.873 -1.969 -4.662 356 H ASP 47 H ASP 47 4.176 -0.541 -7.577 357 HA ASP 47 HA ASP 47 6.287 1.028 -6.625 358 HB2 ASP 47 2HB ASP 47 6.428 -0.713 -8.436 359 HB3 ASP 47 3HB ASP 47 5.678 0.440 -9.536 360 H LEU 48 H LEU 48 3.563 1.856 -8.721 361 HA LEU 48 HA LEU 48 4.225 4.427 -9.508 362 HB2 LEU 48 2HB LEU 48 1.524 3.322 -8.717 363 HB3 LEU 48 3HB LEU 48 1.751 4.868 -9.513 364 HG LEU 48 HG LEU 48 2.499 2.178 -10.679 365 HD11 LEU 48 1HD1 LEU 48 0.200 4.027 -11.328 366 HD12 LEU 48 2HD1 LEU 48 0.087 2.448 -10.547 367 HD13 LEU 48 3HD1 LEU 48 0.629 2.566 -12.220 368 HD21 LEU 48 3HD2 LEU 48 2.865 3.445 -12.753 369 HD22 LEU 48 1HD2 LEU 48 3.972 3.936 -11.470 370 HD23 LEU 48 2HD2 LEU 48 2.586 4.952 -11.876 371 H LEU 49 H LEU 49 2.743 3.409 -6.430 372 HA LEU 49 HA LEU 49 2.324 5.966 -5.350 373 HB2 LEU 49 2HB LEU 49 2.807 3.299 -4.031 374 HB3 LEU 49 3HB LEU 49 2.537 4.755 -3.094 375 HG LEU 49 HG LEU 49 0.318 5.011 -4.192 376 HD11 LEU 49 1HD1 LEU 49 0.915 2.294 -5.359 377 HD12 LEU 49 2HD1 LEU 49 0.756 3.805 -6.256 378 HD13 LEU 49 3HD1 LEU 49 -0.641 3.129 -5.418 379 HD21 LEU 49 3HD2 LEU 49 0.478 3.961 -2.007 380 HD22 LEU 49 1HD2 LEU 49 0.778 2.393 -2.757 381 HD23 LEU 49 2HD2 LEU 49 -0.783 3.187 -2.965 382 H SER 50 H SER 50 5.087 3.754 -4.808 383 HA SER 50 HA SER 50 6.608 5.434 -3.178 384 HB2 SER 50 2HB SER 50 8.545 4.083 -3.771 385 HB3 SER 50 3HB SER 50 7.137 3.036 -3.594 386 HG SER 50 HG SER 50 6.956 2.991 -5.865 387 H SER 51 H SER 51 6.849 5.060 -6.726 388 HA SER 51 HA SER 51 8.745 7.068 -7.180 389 HB2 SER 51 2HB SER 51 6.522 6.117 -9.010 390 HB3 SER 51 3HB SER 51 7.910 7.079 -9.520 391 HG SER 51 HG SER 51 7.751 4.438 -9.280 392 H ALA 52 H ALA 52 5.205 7.284 -7.087 393 HA ALA 52 HA ALA 52 5.044 10.024 -7.808 394 HB1 ALA 52 3HB ALA 52 2.723 9.887 -7.070 395 HB2 ALA 52 1HB ALA 52 3.053 8.337 -6.292 396 HB3 ALA 52 2HB ALA 52 3.160 8.485 -8.046 397 H LEU 53 H LEU 53 5.725 8.447 -4.785 398 HA LEU 53 HA LEU 53 5.196 10.797 -3.174 399 HB2 LEU 53 2HB LEU 53 6.475 8.136 -2.547 400 HB3 LEU 53 3HB LEU 53 6.313 9.423 -1.363 401 HG LEU 53 HG LEU 53 3.977 8.140 -2.794 402 HD11 LEU 53 1HD1 LEU 53 3.538 6.959 -0.709 403 HD12 LEU 53 2HD1 LEU 53 5.015 7.624 -0.007 404 HD13 LEU 53 3HD1 LEU 53 5.109 6.509 -1.373 405 HD21 LEU 53 3HD2 LEU 53 2.630 9.251 -1.088 406 HD22 LEU 53 1HD2 LEU 53 3.558 10.425 -2.020 407 HD23 LEU 53 2HD2 LEU 53 4.081 9.977 -0.398 408 H THR 54 H THR 54 7.984 9.318 -4.727 409 HA THR 54 HA THR 54 9.947 10.931 -3.409 410 HB THR 54 HB THR 54 11.513 10.208 -5.168 411 HG1 THR 54 HG1 THR 54 9.235 9.787 -6.568 412 HG21 THR 54 3HG2 THR 54 11.417 7.798 -4.738 413 HG22 THR 54 1HG2 THR 54 9.764 7.963 -4.147 414 HG23 THR 54 2HG2 THR 54 11.094 8.718 -3.268 415 H GLU 55 H GLU 55 7.849 11.447 -6.125 416 HA GLU 55 HA GLU 55 9.187 14.019 -6.704 417 HB2 GLU 55 2HB GLU 55 8.039 13.975 -8.882 418 HB3 GLU 55 3HB GLU 55 9.061 12.560 -8.665 419 HG2 GLU 55 2HG GLU 55 7.133 11.195 -8.157 420 HG3 GLU 55 3HG GLU 55 6.077 12.604 -8.232 421 HA PRO 56 HA PRO 56 5.612 16.118 -5.084 422 HB2 PRO 56 2HB PRO 56 5.555 18.399 -6.567 423 HB3 PRO 56 3HB PRO 56 6.779 18.094 -5.327 424 HG2 PRO 56 2HG PRO 56 6.976 17.765 -8.303 425 HG3 PRO 56 3HG PRO 56 8.150 18.468 -7.176 426 HD2 PRO 56 2HD PRO 56 8.368 15.932 -8.126 427 HD3 PRO 56 3HD PRO 56 8.947 16.403 -6.515 428 H VAL 57 H VAL 57 3.570 15.485 -5.402 429 HA VAL 57 HA VAL 57 2.258 15.933 -7.989 430 HB VAL 57 HB VAL 57 1.168 13.701 -7.908 431 HG11 VAL 57 1HG1 VAL 57 4.186 13.567 -7.979 432 HG12 VAL 57 2HG1 VAL 57 3.139 14.021 -9.323 433 HG13 VAL 57 3HG1 VAL 57 3.084 12.380 -8.677 434 HG21 VAL 57 3HG2 VAL 57 3.091 13.183 -5.633 435 HG22 VAL 57 1HG2 VAL 57 2.131 11.944 -6.445 436 HG23 VAL 57 2HG2 VAL 57 1.329 13.228 -5.541 437 HA PRO 58 HA PRO 58 -1.273 17.267 -5.582 438 HB2 PRO 58 2HB PRO 58 -3.343 15.908 -6.840 439 HB3 PRO 58 3HB PRO 58 -2.649 17.436 -7.392 440 HG2 PRO 58 2HG PRO 58 -2.063 14.645 -8.312 441 HG3 PRO 58 3HG PRO 58 -2.251 16.127 -9.274 442 HD2 PRO 58 2HD PRO 58 0.173 15.130 -8.742 443 HD3 PRO 58 3HD PRO 58 -0.108 16.885 -8.742 444 H ASN 59 H ASN 59 -1.975 16.631 -3.614 445 HA ASN 59 HA ASN 59 -1.575 14.046 -2.593 446 HB2 ASN 59 2HB ASN 59 -3.289 16.319 -1.564 447 HB3 ASN 59 3HB ASN 59 -2.989 14.840 -0.658 448 HD21 ASN 59 1HD2 ASN 59 -0.892 14.417 0.088 449 HD22 ASN 59 2HD2 ASN 59 0.285 15.669 0.234 450 H SER 60 H SER 60 -4.416 15.479 -4.103 451 HA SER 60 HA SER 60 -6.361 13.568 -3.543 452 HB2 SER 60 2HB SER 60 -7.413 14.211 -5.663 453 HB3 SER 60 3HB SER 60 -6.788 15.640 -4.841 454 HG SER 60 HG SER 60 -6.291 14.957 -7.282 455 H GLN 61 H GLN 61 -3.946 13.564 -6.148 456 HA GLN 61 HA GLN 61 -4.575 11.106 -7.328 457 HB2 GLN 61 2HB GLN 61 -3.072 12.815 -8.307 458 HB3 GLN 61 3HB GLN 61 -1.862 12.444 -7.093 459 HG2 GLN 61 2HG GLN 61 -2.850 10.295 -8.931 460 HG3 GLN 61 3HG GLN 61 -1.655 11.459 -9.489 461 HE21 GLN 61 1HE2 GLN 61 0.408 11.456 -8.519 462 HE22 GLN 61 2HE2 GLN 61 0.987 10.088 -7.646 463 H LEU 62 H LEU 62 -2.215 11.832 -4.745 464 HA LEU 62 HA LEU 62 -1.197 9.275 -4.343 465 HB2 LEU 62 2HB LEU 62 -1.696 11.462 -2.320 466 HB3 LEU 62 3HB LEU 62 -0.723 10.037 -2.005 467 HG LEU 62 HG LEU 62 -0.115 12.146 -4.089 468 HD11 LEU 62 1HD1 LEU 62 1.730 12.784 -2.648 469 HD12 LEU 62 2HD1 LEU 62 1.254 11.569 -1.462 470 HD13 LEU 62 3HD1 LEU 62 0.200 12.945 -1.786 471 HD21 LEU 62 3HD2 LEU 62 2.042 10.964 -4.303 472 HD22 LEU 62 1HD2 LEU 62 0.675 9.972 -4.806 473 HD23 LEU 62 2HD2 LEU 62 1.434 9.695 -3.238 474 H VAL 63 H VAL 63 -4.045 10.751 -2.772 475 HA VAL 63 HA VAL 63 -4.703 8.453 -1.224 476 HB VAL 63 HB VAL 63 -6.501 10.737 -2.081 477 HG11 VAL 63 1HG1 VAL 63 -7.797 8.810 -1.328 478 HG12 VAL 63 2HG1 VAL 63 -7.884 10.114 -0.143 479 HG13 VAL 63 3HG1 VAL 63 -6.840 8.722 0.151 480 HG21 VAL 63 3HG2 VAL 63 -5.992 11.700 0.121 481 HG22 VAL 63 1HG2 VAL 63 -4.538 11.527 -0.863 482 HG23 VAL 63 2HG2 VAL 63 -4.864 10.381 0.436 483 H ASP 64 H ASP 64 -5.681 9.563 -4.435 484 HA ASP 64 HA ASP 64 -7.803 7.721 -4.838 485 HB2 ASP 64 2HB ASP 64 -7.512 9.797 -6.148 486 HB3 ASP 64 3HB ASP 64 -6.058 9.129 -6.879 487 H THR 65 H THR 65 -4.449 7.704 -6.058 488 HA THR 65 HA THR 65 -4.581 5.088 -7.164 489 HB THR 65 HB THR 65 -2.114 6.652 -6.346 490 HG1 THR 65 HG1 THR 65 -2.416 7.786 -8.107 491 HG21 THR 65 3HG2 THR 65 -1.617 4.289 -6.751 492 HG22 THR 65 1HG2 THR 65 -0.964 5.291 -8.047 493 HG23 THR 65 2HG2 THR 65 -2.446 4.369 -8.307 494 H GLY 66 H GLY 66 -3.575 6.338 -4.017 495 HA2 GLY 66 2HA GLY 66 -2.512 3.930 -2.982 496 HA3 GLY 66 3HA GLY 66 -3.143 5.264 -2.031 497 H HIS 67 H HIS 67 -5.818 5.210 -3.030 498 HA HIS 67 HA HIS 67 -6.946 3.334 -1.251 499 HB2 HIS 67 2HB HIS 67 -8.040 5.471 -1.887 500 HB3 HIS 67 3HB HIS 67 -8.336 4.819 -3.496 501 HD1 HIS 67 HD1 HIS 67 -10.409 3.419 -3.801 502 HD2 HIS 67 HD2 HIS 67 -9.548 4.144 0.201 503 HE1 HIS 67 HE1 HIS 67 -12.372 2.533 -2.519 504 HE2 HIS 67 HE2 HIS 67 -11.779 2.872 -0.101 505 H GLN 68 H GLN 68 -6.610 3.248 -4.814 506 HA GLN 68 HA GLN 68 -8.182 0.930 -5.192 507 HB2 GLN 68 2HB GLN 68 -7.193 0.746 -7.392 508 HB3 GLN 68 3HB GLN 68 -7.562 2.429 -7.047 509 HG2 GLN 68 2HG GLN 68 -5.252 2.917 -6.632 510 HG3 GLN 68 3HG GLN 68 -4.823 1.211 -6.751 511 HE21 GLN 68 1HE2 GLN 68 -3.874 3.523 -8.290 512 HE22 GLN 68 2HE2 GLN 68 -4.191 3.146 -9.942 513 H LEU 69 H LEU 69 -4.840 1.315 -4.206 514 HA LEU 69 HA LEU 69 -3.926 -1.299 -4.626 515 HB2 LEU 69 2HB LEU 69 -3.143 0.963 -2.890 516 HB3 LEU 69 3HB LEU 69 -2.624 -0.613 -2.329 517 HG LEU 69 HG LEU 69 -0.897 0.526 -3.684 518 HD11 LEU 69 1HD1 LEU 69 -0.368 -1.350 -5.151 519 HD12 LEU 69 2HD1 LEU 69 -2.016 -1.960 -4.991 520 HD13 LEU 69 3HD1 LEU 69 -0.949 -1.918 -3.587 521 HD21 LEU 69 3HD2 LEU 69 -1.209 0.765 -6.108 522 HD22 LEU 69 1HD2 LEU 69 -2.331 1.778 -5.198 523 HD23 LEU 69 2HD2 LEU 69 -2.896 0.277 -5.938 524 H LEU 70 H LEU 70 -6.058 -0.032 -2.151 525 HA LEU 70 HA LEU 70 -6.052 -2.269 -0.426 526 HB2 LEU 70 2HB LEU 70 -8.025 -0.085 -1.009 527 HB3 LEU 70 3HB LEU 70 -8.502 -1.426 0.010 528 HG LEU 70 HG LEU 70 -7.765 0.569 1.288 529 HD11 LEU 70 1HD1 LEU 70 -7.635 -1.623 2.314 530 HD12 LEU 70 2HD1 LEU 70 -6.282 -0.620 2.837 531 HD13 LEU 70 3HD1 LEU 70 -6.032 -1.878 1.623 532 HD21 LEU 70 3HD2 LEU 70 -5.042 -0.022 0.118 533 HD22 LEU 70 1HD2 LEU 70 -5.397 1.154 1.384 534 HD23 LEU 70 2HD2 LEU 70 -6.040 1.390 -0.241 535 H ASP 71 H ASP 71 -7.815 -1.607 -3.423 536 HA ASP 71 HA ASP 71 -9.498 -3.901 -3.339 537 HB2 ASP 71 2HB ASP 71 -9.991 -1.968 -4.773 538 HB3 ASP 71 3HB ASP 71 -8.539 -2.281 -5.717 539 H TYR 72 H TYR 72 -6.383 -3.272 -4.956 540 HA TYR 72 HA TYR 72 -5.965 -5.830 -6.034 541 HB2 TYR 72 2HB TYR 72 -4.028 -3.709 -5.091 542 HB3 TYR 72 3HB TYR 72 -3.482 -5.215 -5.821 543 HD1 TYR 72 HD1 TYR 72 -5.643 -2.248 -6.479 544 HD2 TYR 72 HD2 TYR 72 -3.311 -5.392 -8.149 545 HE1 TYR 72 HE1 TYR 72 -5.917 -1.255 -8.711 546 HE2 TYR 72 HE2 TYR 72 -3.578 -4.409 -10.385 547 HH TYR 72 HH TYR 72 -4.710 -1.289 -10.911 548 H CYS 73 H CYS 73 -4.855 -4.514 -2.917 549 HA CYS 73 HA CYS 73 -3.555 -6.833 -2.017 550 HB2 CYS 73 2HB CYS 73 -4.752 -4.537 -0.456 551 HB3 CYS 73 3HB CYS 73 -3.722 -5.780 0.248 552 HG CYS 73 HG CYS 73 -2.885 -3.185 -1.744 553 H SER 74 H SER 74 -6.886 -5.708 -1.457 554 HA SER 74 HA SER 74 -7.622 -7.630 0.447 555 HB2 SER 74 2HB SER 74 -9.969 -7.130 -0.208 556 HB3 SER 74 3HB SER 74 -9.009 -5.672 0.040 557 HG SER 74 HG SER 74 -9.178 -5.195 -2.009 558 H GLY 75 H GLY 75 -7.959 -7.735 -3.106 559 HA2 GLY 75 2HA GLY 75 -9.077 -10.386 -3.107 560 HA3 GLY 75 3HA GLY 75 -8.501 -9.501 -4.509 561 H TYR 76 H TYR 76 -5.814 -9.087 -3.506 562 HA TYR 76 HA TYR 76 -4.639 -11.478 -4.508 563 HB2 TYR 76 2HB TYR 76 -3.670 -9.197 -4.798 564 HB3 TYR 76 3HB TYR 76 -3.267 -9.180 -3.086 565 HD1 TYR 76 HD2 TYR 76 -2.479 -10.695 -6.348 566 HD2 TYR 76 HD1 TYR 76 -1.363 -10.428 -2.247 567 HE1 TYR 76 HE2 TYR 76 -0.336 -11.775 -6.866 568 HE2 TYR 76 HE1 TYR 76 0.786 -11.507 -2.761 569 HH TYR 76 HH TYR 76 1.691 -13.061 -4.556 570 H VAL 77 H VAL 77 -4.799 -10.078 -1.235 571 HA VAL 77 HA VAL 77 -3.020 -11.774 0.061 572 HB VAL 77 HB VAL 77 -3.980 -9.732 1.062 573 HG11 VAL 77 1HG1 VAL 77 -6.165 -9.795 2.167 574 HG12 VAL 77 2HG1 VAL 77 -6.459 -11.402 1.500 575 HG13 VAL 77 3HG1 VAL 77 -6.313 -10.012 0.423 576 HG21 VAL 77 3HG2 VAL 77 -4.145 -10.578 3.361 577 HG22 VAL 77 1HG2 VAL 77 -2.819 -11.333 2.478 578 HG23 VAL 77 2HG2 VAL 77 -4.322 -12.220 2.740 579 H ASP 78 H ASP 78 -6.421 -12.302 -0.699 580 HA ASP 78 HA ASP 78 -6.857 -14.610 0.851 581 HB2 ASP 78 2HB ASP 78 -8.699 -13.360 -0.101 582 HB3 ASP 78 3HB ASP 78 -8.122 -13.672 -1.735 583 H CYS 79 H CYS 79 -5.304 -14.159 -2.254 584 HA CYS 79 HA CYS 79 -5.358 -16.975 -2.945 585 HB2 CYS 79 2HB CYS 79 -3.973 -14.635 -4.278 586 HB3 CYS 79 3HB CYS 79 -4.052 -16.268 -4.933 587 HG CYS 79 HG CYS 79 -6.285 -13.815 -5.084 588 H ILE 80 H ILE 80 -3.424 -15.124 -0.912 589 HA ILE 80 HA ILE 80 -0.877 -16.346 -1.484 590 HB ILE 80 HB ILE 80 -1.772 -14.790 0.962 591 HG12 ILE 80 2HG1 ILE 80 -0.191 -13.918 -1.482 592 HG13 ILE 80 3HG1 ILE 80 -1.856 -13.475 -1.124 593 HG21 ILE 80 1HG2 ILE 80 0.144 -16.218 1.472 594 HG22 ILE 80 2HG2 ILE 80 0.625 -14.523 1.442 595 HG23 ILE 80 3HG2 ILE 80 1.016 -15.573 0.080 596 HD11 ILE 80 3HD1 ILE 80 -0.351 -11.661 -0.593 597 HD12 ILE 80 1HD1 ILE 80 0.568 -12.709 0.487 598 HD13 ILE 80 2HD1 ILE 80 -1.098 -12.282 0.878 599 HA PRO 81 HA PRO 81 -2.047 -20.092 0.798 600 HB2 PRO 81 2HB PRO 81 0.085 -21.586 0.055 601 HB3 PRO 81 3HB PRO 81 -1.272 -21.269 -1.032 602 HG2 PRO 81 2HG PRO 81 1.408 -19.927 -0.905 603 HG3 PRO 81 3HG PRO 81 0.497 -20.469 -2.328 604 HD2 PRO 81 2HD PRO 81 0.547 -17.877 -1.490 605 HD3 PRO 81 3HD PRO 81 -0.842 -18.591 -2.334 606 H GLN 82 H GLN 82 1.084 -18.451 0.952 607 HA GLN 82 HA GLN 82 1.897 -19.727 3.397 608 HB2 GLN 82 2HB GLN 82 2.938 -17.254 1.993 609 HB3 GLN 82 3HB GLN 82 3.664 -17.947 3.436 610 HG2 GLN 82 2HG GLN 82 3.469 -19.206 0.708 611 HG3 GLN 82 3HG GLN 82 4.922 -18.648 1.536 612 HE21 GLN 82 1HE2 GLN 82 2.557 -21.166 1.306 613 HE22 GLN 82 2HE2 GLN 82 3.373 -22.299 2.317 614 H THR 83 H THR 83 0.485 -19.412 5.066 615 HA THR 83 HA THR 83 -0.995 -17.096 5.578 616 HB THR 83 HB THR 83 -0.065 -19.088 7.664 617 HG1 THR 83 HG1 THR 83 -2.552 -19.582 6.959 618 HG21 THR 83 3HG2 THR 83 -2.436 -17.204 7.587 619 HG22 THR 83 1HG2 THR 83 -1.025 -17.058 8.638 620 HG23 THR 83 2HG2 THR 83 -2.136 -18.415 8.836 621 H ARG 84 H ARG 84 2.298 -17.934 6.518 622 HA ARG 84 HA ARG 84 2.828 -15.921 8.389 623 HB2 ARG 84 2HB ARG 84 4.652 -17.094 6.271 624 HB3 ARG 84 3HB ARG 84 5.202 -16.107 7.617 625 HG2 ARG 84 2HG ARG 84 3.819 -18.778 7.850 626 HG3 ARG 84 3HG ARG 84 5.553 -18.494 8.012 627 HD2 ARG 84 2HD ARG 84 3.368 -17.407 9.800 628 HD3 ARG 84 3HD ARG 84 4.535 -18.665 10.210 629 HE ARG 84 HE ARG 84 5.611 -16.062 9.472 630 HH11 ARG 84 1HH1 ARG 84 4.832 -18.273 12.002 631 HH12 ARG 84 2HH1 ARG 84 5.780 -17.423 13.170 632 HH21 ARG 84 1HH2 ARG 84 6.819 -14.991 10.998 633 HH22 ARG 84 2HH2 ARG 84 6.900 -15.614 12.609 634 H ASN 85 H ASN 85 3.502 -15.800 4.871 635 HA ASN 85 HA ASN 85 4.028 -13.046 4.719 636 HB2 ASN 85 2HB ASN 85 2.917 -14.897 2.592 637 HB3 ASN 85 3HB ASN 85 3.538 -13.279 2.288 638 HD21 ASN 85 1HD2 ASN 85 5.149 -14.008 0.930 639 HD22 ASN 85 2HD2 ASN 85 6.531 -14.870 1.504 640 H LYS 86 H LYS 86 0.997 -14.841 4.458 641 HA LYS 86 HA LYS 86 -0.647 -12.772 3.527 642 HB2 LYS 86 2HB LYS 86 -1.343 -15.102 3.474 643 HB3 LYS 86 3HB LYS 86 -1.347 -15.173 5.231 644 HG2 LYS 86 2HG LYS 86 -3.255 -13.826 5.402 645 HG3 LYS 86 3HG LYS 86 -3.099 -13.245 3.746 646 HD2 LYS 86 2HD LYS 86 -4.941 -14.839 3.954 647 HD3 LYS 86 3HD LYS 86 -3.677 -15.459 2.895 648 HE2 LYS 86 2HE LYS 86 -2.854 -16.901 4.645 649 HE3 LYS 86 3HE LYS 86 -3.981 -16.197 5.806 650 HZ1 LYS 86 3HZ LYS 86 -4.773 -18.320 4.977 651 HZ2 LYS 86 1HZ LYS 86 -4.740 -17.744 3.387 652 HZ3 LYS 86 2HZ LYS 86 -5.816 -17.078 4.506 653 H PHE 87 H PHE 87 0.097 -13.748 6.880 654 HA PHE 87 HA PHE 87 -1.604 -11.877 8.142 655 HB2 PHE 87 2HB PHE 87 -0.529 -13.867 9.251 656 HB3 PHE 87 3HB PHE 87 0.993 -12.982 9.238 657 HD1 PHE 87 HD2 PHE 87 -2.423 -13.054 10.634 658 HD2 PHE 87 HD1 PHE 87 1.449 -11.281 10.841 659 HE1 PHE 87 HE2 PHE 87 -3.017 -12.005 12.780 660 HE2 PHE 87 HE1 PHE 87 0.857 -10.234 12.988 661 HZ PHE 87 HZ PHE 87 -1.380 -10.596 13.960 662 H ALA 88 H ALA 88 1.919 -11.741 7.532 663 HA ALA 88 HA ALA 88 2.382 -9.132 8.412 664 HB1 ALA 88 3HB ALA 88 4.408 -9.196 7.045 665 HB2 ALA 88 1HB ALA 88 3.786 -10.596 6.171 666 HB3 ALA 88 2HB ALA 88 4.169 -10.727 7.888 667 H PHE 89 H PHE 89 1.209 -10.305 5.310 668 HA PHE 89 HA PHE 89 1.274 -7.834 3.920 669 HB2 PHE 89 2HB PHE 89 1.089 -10.110 2.872 670 HB3 PHE 89 3HB PHE 89 -0.573 -10.189 3.444 671 HD1 PHE 89 HD2 PHE 89 1.730 -8.499 1.120 672 HD2 PHE 89 HD1 PHE 89 -2.324 -9.011 2.322 673 HE1 PHE 89 HE2 PHE 89 0.981 -7.386 -0.938 674 HE2 PHE 89 HE1 PHE 89 -3.077 -7.901 0.262 675 HZ PHE 89 HZ PHE 89 -1.423 -7.087 -1.373 676 H ARG 90 H ARG 90 -1.266 -9.464 5.813 677 HA ARG 90 HA ARG 90 -3.322 -7.595 5.370 678 HB2 ARG 90 2HB ARG 90 -2.798 -9.478 7.674 679 HB3 ARG 90 3HB ARG 90 -4.238 -8.476 7.581 680 HG2 ARG 90 2HG ARG 90 -3.464 -10.472 5.456 681 HG3 ARG 90 3HG ARG 90 -4.519 -10.846 6.817 682 HD2 ARG 90 2HD ARG 90 -5.877 -10.336 4.893 683 HD3 ARG 90 3HD ARG 90 -6.057 -9.048 6.081 684 HE ARG 90 HE ARG 90 -4.079 -8.563 4.029 685 HH11 ARG 90 1HH1 ARG 90 -7.373 -8.181 4.969 686 HH12 ARG 90 2HH1 ARG 90 -7.624 -6.827 3.923 687 HH21 ARG 90 1HH2 ARG 90 -4.423 -6.818 2.697 688 HH22 ARG 90 2HH2 ARG 90 -5.975 -6.057 2.671 689 H GLU 91 H GLU 91 -0.991 -7.811 8.075 690 HA GLU 91 HA GLU 91 -1.915 -5.490 9.397 691 HB2 GLU 91 2HB GLU 91 0.066 -5.638 10.758 692 HB3 GLU 91 3HB GLU 91 -0.527 -7.268 10.458 693 HG2 GLU 91 2HG GLU 91 1.189 -7.636 8.804 694 HG3 GLU 91 3HG GLU 91 1.745 -5.971 8.962 695 H ALA 92 H ALA 92 0.665 -5.951 6.984 696 HA ALA 92 HA ALA 92 1.682 -3.337 6.947 697 HB1 ALA 92 3HB ALA 92 2.537 -3.865 4.727 698 HB2 ALA 92 1HB ALA 92 1.457 -5.258 4.626 699 HB3 ALA 92 2HB ALA 92 2.757 -5.234 5.817 700 H VAL 93 H VAL 93 -0.882 -4.768 4.915 701 HA VAL 93 HA VAL 93 -1.630 -2.423 3.569 702 HB VAL 93 HB VAL 93 -3.302 -4.844 4.287 703 HG11 VAL 93 1HG1 VAL 93 -4.828 -4.119 2.490 704 HG12 VAL 93 2HG1 VAL 93 -3.912 -2.619 2.332 705 HG13 VAL 93 3HG1 VAL 93 -4.785 -2.968 3.825 706 HG21 VAL 93 3HG2 VAL 93 -1.343 -5.291 2.863 707 HG22 VAL 93 1HG2 VAL 93 -1.914 -4.087 1.710 708 HG23 VAL 93 2HG2 VAL 93 -2.856 -5.553 1.997 709 H SER 94 H SER 94 -2.571 -3.657 6.744 710 HA SER 94 HA SER 94 -4.635 -1.855 7.348 711 HB2 SER 94 2HB SER 94 -2.584 -3.039 9.248 712 HB3 SER 94 3HB SER 94 -4.099 -2.272 9.727 713 HG SER 94 HG SER 94 -4.046 -4.467 7.943 714 H LYS 95 H LYS 95 -1.107 -1.508 7.743 715 HA LYS 95 HA LYS 95 -1.167 1.112 8.820 716 HB2 LYS 95 2HB LYS 95 0.936 -0.505 7.413 717 HB3 LYS 95 3HB LYS 95 1.216 1.205 7.699 718 HG2 LYS 95 2HG LYS 95 2.246 -0.055 9.451 719 HG3 LYS 95 3HG LYS 95 0.873 0.829 10.120 720 HD2 LYS 95 2HD LYS 95 -0.484 -1.206 10.036 721 HD3 LYS 95 3HD LYS 95 0.873 -2.093 9.340 722 HE2 LYS 95 2HE LYS 95 0.723 -2.555 11.712 723 HE3 LYS 95 3HE LYS 95 2.188 -1.630 11.378 724 HZ1 LYS 95 3HZ LYS 95 -0.353 -0.591 12.512 725 HZ2 LYS 95 1HZ LYS 95 0.958 0.384 12.068 726 HZ3 LYS 95 2HZ LYS 95 1.128 -0.748 13.310 727 H LEU 96 H LEU 96 -1.155 -0.073 5.483 728 HA LEU 96 HA LEU 96 -0.656 2.355 4.171 729 HB2 LEU 96 2HB LEU 96 -0.574 0.171 3.056 730 HB3 LEU 96 3HB LEU 96 -2.310 -0.001 3.242 731 HG LEU 96 HG LEU 96 -2.628 1.987 1.773 732 HD11 LEU 96 1HD1 LEU 96 0.355 1.765 1.356 733 HD12 LEU 96 2HD1 LEU 96 -0.491 3.091 2.156 734 HD13 LEU 96 3HD1 LEU 96 -0.743 2.793 0.435 735 HD21 LEU 96 3HD2 LEU 96 -1.026 -0.266 0.551 736 HD22 LEU 96 1HD2 LEU 96 -2.093 0.840 -0.317 737 HD23 LEU 96 2HD2 LEU 96 -2.761 -0.280 0.868 738 H GLU 97 H GLU 97 -3.815 0.819 4.912 739 HA GLU 97 HA GLU 97 -5.389 2.928 3.895 740 HB2 GLU 97 2HB GLU 97 -7.252 1.927 5.176 741 HB3 GLU 97 3HB GLU 97 -6.352 0.734 4.251 742 HG2 GLU 97 2HG GLU 97 -5.214 -0.020 6.246 743 HG3 GLU 97 3HG GLU 97 -5.986 1.246 7.201 744 H LEU 98 H LEU 98 -4.168 2.309 7.182 745 HA LEU 98 HA LEU 98 -5.399 4.483 8.471 746 HB2 LEU 98 2HB LEU 98 -2.748 3.141 9.026 747 HB3 LEU 98 3HB LEU 98 -3.488 4.318 10.096 748 HG LEU 98 HG LEU 98 -4.689 1.640 9.354 749 HD11 LEU 98 1HD1 LEU 98 -2.717 1.377 10.753 750 HD12 LEU 98 2HD1 LEU 98 -4.178 1.005 11.666 751 HD13 LEU 98 3HD1 LEU 98 -3.356 2.547 11.908 752 HD21 LEU 98 3HD2 LEU 98 -6.403 3.309 9.826 753 HD22 LEU 98 1HD2 LEU 98 -5.598 3.732 11.337 754 HD23 LEU 98 2HD2 LEU 98 -6.312 2.131 11.133 755 H SER 99 H SER 99 -2.257 4.284 6.816 756 HA SER 99 HA SER 99 -1.477 6.960 7.312 757 HB2 SER 99 2HB SER 99 0.122 5.199 6.658 758 HB3 SER 99 3HB SER 99 -0.610 5.126 5.058 759 HG SER 99 HG SER 99 -0.036 7.642 5.401 760 H LEU 100 H LEU 100 -3.525 5.529 4.854 761 HA LEU 100 HA LEU 100 -3.563 7.811 3.123 762 HB2 LEU 100 2HB LEU 100 -5.357 5.403 3.379 763 HB3 LEU 100 3HB LEU 100 -5.658 6.673 2.206 764 HG LEU 100 HG LEU 100 -3.107 5.050 2.317 765 HD11 LEU 100 1HD1 LEU 100 -5.000 3.618 1.749 766 HD12 LEU 100 2HD1 LEU 100 -3.944 3.869 0.357 767 HD13 LEU 100 3HD1 LEU 100 -5.476 4.741 0.472 768 HD21 LEU 100 3HD2 LEU 100 -4.184 6.979 0.255 769 HD22 LEU 100 1HD2 LEU 100 -2.737 5.987 0.067 770 HD23 LEU 100 2HD2 LEU 100 -2.794 7.234 1.310 771 H GLN 101 H GLN 101 -5.743 6.661 5.708 772 HA GLN 101 HA GLN 101 -7.631 8.763 5.349 773 HB2 GLN 101 2HB GLN 101 -8.544 8.070 7.546 774 HB3 GLN 101 3HB GLN 101 -8.340 6.728 6.430 775 HG2 GLN 101 2HG GLN 101 -6.290 6.073 7.591 776 HG3 GLN 101 3HG GLN 101 -6.492 7.419 8.712 777 HE21 GLN 101 1HE2 GLN 101 -8.121 7.309 10.273 778 HE22 GLN 101 2HE2 GLN 101 -8.908 5.823 10.672 779 H GLU 102 H GLU 102 -4.938 8.361 7.689 780 HA GLU 102 HA GLU 102 -5.365 10.810 9.031 781 HB2 GLU 102 2HB GLU 102 -3.094 10.566 9.905 782 HB3 GLU 102 3HB GLU 102 -3.954 9.036 9.967 783 HG2 GLU 102 2HG GLU 102 -2.775 8.319 7.918 784 HG3 GLU 102 3HG GLU 102 -1.877 9.833 7.933 785 H LEU 103 H LEU 103 -3.745 10.070 6.019 786 HA LEU 103 HA LEU 103 -2.385 12.534 5.678 787 HB2 LEU 103 2HB LEU 103 -1.851 10.548 4.350 788 HB3 LEU 103 3HB LEU 103 -3.437 10.602 3.603 789 HG LEU 103 HG LEU 103 -2.851 12.807 2.596 790 HD11 LEU 103 1HD1 LEU 103 -0.092 12.224 3.678 791 HD12 LEU 103 2HD1 LEU 103 -1.168 13.515 4.217 792 HD13 LEU 103 3HD1 LEU 103 -0.521 13.533 2.576 793 HD21 LEU 103 3HD2 LEU 103 -0.944 10.563 1.922 794 HD22 LEU 103 1HD2 LEU 103 -1.384 11.910 0.872 795 HD23 LEU 103 2HD2 LEU 103 -2.599 10.718 1.332 796 H GLN 104 H GLN 104 -5.445 11.413 4.183 797 HA GLN 104 HA GLN 104 -5.921 13.840 2.839 798 HB2 GLN 104 2HB GLN 104 -8.139 12.944 2.341 799 HB3 GLN 104 3HB GLN 104 -6.891 11.728 2.107 800 HG2 GLN 104 2HG GLN 104 -7.470 10.798 4.350 801 HG3 GLN 104 3HG GLN 104 -8.814 11.937 4.416 802 HE21 GLN 104 1HE2 GLN 104 -7.572 9.065 2.919 803 HE22 GLN 104 2HE2 GLN 104 -9.050 8.583 2.161 804 H VAL 105 H VAL 105 -6.754 12.888 6.110 805 HA VAL 105 HA VAL 105 -8.690 15.035 6.404 806 HB VAL 105 HB VAL 105 -8.948 14.314 8.713 807 HG11 VAL 105 1HG1 VAL 105 -10.199 13.127 6.991 808 HG12 VAL 105 2HG1 VAL 105 -9.778 12.041 8.316 809 HG13 VAL 105 3HG1 VAL 105 -8.877 11.977 6.800 810 HG21 VAL 105 3HG2 VAL 105 -6.694 12.370 8.160 811 HG22 VAL 105 1HG2 VAL 105 -7.684 12.408 9.620 812 HG23 VAL 105 2HG2 VAL 105 -6.625 13.765 9.237 813 H SER 106 H SER 106 -5.278 14.665 6.915 814 HA SER 106 HA SER 106 -5.211 17.019 8.699 815 HB2 SER 106 2HB SER 106 -4.096 15.044 9.602 816 HB3 SER 106 3HB SER 106 -3.072 14.940 8.170 817 HG SER 106 HG SER 106 -3.080 16.911 10.203 818 H SER 107 H SER 107 -3.717 15.743 5.751 819 HA SER 107 HA SER 107 -1.740 17.606 5.300 820 HB2 SER 107 2HB SER 107 -1.899 17.009 2.909 821 HB3 SER 107 3HB SER 107 -1.978 15.586 3.945 822 HG SER 107 HG SER 107 -3.957 15.219 3.298 823 H ALA 108 H ALA 108 -4.945 17.740 3.709 824 HA ALA 108 HA ALA 108 -6.171 19.463 2.857 825 HB1 ALA 108 3HB ALA 108 -6.178 21.591 4.083 826 HB2 ALA 108 1HB ALA 108 -4.734 21.088 4.962 827 HB3 ALA 108 2HB ALA 108 -6.249 20.212 5.181 828 H ALA 109 H ALA 109 -3.295 18.955 1.944 829 HA ALA 109 HA ALA 109 -2.615 21.562 0.769 830 HB1 ALA 109 3HB ALA 109 -0.820 20.418 1.959 831 HB2 ALA 109 1HB ALA 109 -0.445 20.537 0.240 832 HB3 ALA 109 2HB ALA 109 -1.005 19.007 0.918 833 H ALA 110 H ALA 110 -2.371 21.850 -1.457 834 HA ALA 110 HA ALA 110 -4.049 20.306 -3.159 835 HB1 ALA 110 3HB ALA 110 -1.973 22.382 -3.876 836 HB2 ALA 110 1HB ALA 110 -3.673 22.691 -3.529 837 HB3 ALA 110 2HB ALA 110 -3.220 21.762 -4.957 838 H GLY 111 H GLY 111 -0.572 20.345 -2.594 839 HA2 GLY 111 2HA GLY 111 -0.061 17.738 -3.345 840 HA3 GLY 111 3HA GLY 111 0.139 18.686 -4.813 841 H VAL 112 H VAL 112 1.162 18.615 -1.402 842 HA VAL 112 HA VAL 112 3.773 19.733 -2.239 843 HB VAL 112 HB VAL 112 2.379 20.181 0.413 844 HG11 VAL 112 1HG1 VAL 112 4.805 20.186 0.615 845 HG12 VAL 112 2HG1 VAL 112 4.163 21.818 0.819 846 HG13 VAL 112 3HG1 VAL 112 4.928 21.353 -0.702 847 HG21 VAL 112 3HG2 VAL 112 2.064 22.492 -0.331 848 HG22 VAL 112 1HG2 VAL 112 1.240 21.364 -1.407 849 HG23 VAL 112 2HG2 VAL 112 2.769 22.094 -1.897 850 HA PRO 113 HA PRO 113 5.297 15.996 -0.170 851 HB2 PRO 113 2HB PRO 113 7.810 16.089 -1.089 852 HB3 PRO 113 3HB PRO 113 6.466 15.675 -2.161 853 HG2 PRO 113 2HG PRO 113 7.903 18.290 -1.848 854 HG3 PRO 113 3HG PRO 113 7.390 17.468 -3.334 855 HD2 PRO 113 2HD PRO 113 5.985 19.519 -2.131 856 HD3 PRO 113 3HD PRO 113 5.255 18.302 -3.196 857 H GLY 114 H GLY 114 6.817 15.555 1.564 858 HA2 GLY 114 2HA GLY 114 8.248 16.030 3.307 859 HA3 GLY 114 3HA GLY 114 8.594 17.572 2.551 860 H THR 115 H THR 115 5.636 18.268 2.635 861 HA THR 115 HA THR 115 5.665 19.876 4.888 862 HB THR 115 HB THR 115 4.148 20.409 3.115 863 HG1 THR 115 HG1 THR 115 3.093 21.273 4.746 864 HG21 THR 115 3HG2 THR 115 3.622 18.159 2.320 865 HG22 THR 115 1HG2 THR 115 2.143 19.073 2.622 866 HG23 THR 115 2HG2 THR 115 2.676 17.852 3.777 867 H ASN 116 H ASN 116 4.273 16.611 4.609 868 HA ASN 116 HA ASN 116 4.104 16.545 7.547 869 HB2 ASN 116 2HB ASN 116 1.988 15.252 7.406 870 HB3 ASN 116 3HB ASN 116 1.827 16.894 6.793 871 HD21 ASN 116 1HD2 ASN 116 1.460 17.217 4.614 872 HD22 ASN 116 2HD2 ASN 116 1.029 15.931 3.548 873 HA PRO 117 HA PRO 117 6.492 12.803 7.236 874 HB2 PRO 117 2HB PRO 117 4.966 11.966 9.657 875 HB3 PRO 117 3HB PRO 117 6.713 12.070 9.408 876 HG2 PRO 117 2HG PRO 117 5.454 13.897 10.879 877 HG3 PRO 117 3HG PRO 117 6.758 14.373 9.772 878 HD2 PRO 117 2HD PRO 117 3.786 14.629 9.423 879 HD3 PRO 117 3HD PRO 117 5.073 15.779 9.001 880 H VAL 118 H VAL 118 3.003 12.741 7.469 881 HA VAL 118 HA VAL 118 2.471 10.018 7.250 882 HB VAL 118 HB VAL 118 0.865 12.228 5.950 883 HG11 VAL 118 1HG1 VAL 118 0.061 9.474 6.898 884 HG12 VAL 118 2HG1 VAL 118 0.220 9.989 5.219 885 HG13 VAL 118 3HG1 VAL 118 -1.028 10.696 6.244 886 HG21 VAL 118 3HG2 VAL 118 0.712 11.134 8.767 887 HG22 VAL 118 1HG2 VAL 118 -0.420 12.283 8.051 888 HG23 VAL 118 2HG2 VAL 118 1.263 12.745 8.300 889 H LEU 119 H LEU 119 3.309 12.338 4.728 890 HA LEU 119 HA LEU 119 2.909 10.770 2.449 891 HB2 LEU 119 2HB LEU 119 5.125 12.763 2.992 892 HB3 LEU 119 3HB LEU 119 4.652 12.181 1.406 893 HG LEU 119 HG LEU 119 2.827 13.741 3.243 894 HD11 LEU 119 1HD1 LEU 119 4.451 14.703 0.887 895 HD12 LEU 119 2HD1 LEU 119 4.701 15.131 2.580 896 HD13 LEU 119 3HD1 LEU 119 3.233 15.643 1.751 897 HD21 LEU 119 3HD2 LEU 119 1.630 12.325 1.671 898 HD22 LEU 119 1HD2 LEU 119 2.575 12.977 0.332 899 HD23 LEU 119 2HD2 LEU 119 1.460 14.018 1.217 900 H ASN 120 H ASN 120 5.599 10.840 4.732 901 HA ASN 120 HA ASN 120 7.184 8.907 3.310 902 HB2 ASN 120 2HB ASN 120 7.403 9.851 6.182 903 HB3 ASN 120 3HB ASN 120 8.626 8.937 5.303 904 HD21 ASN 120 1HD2 ASN 120 8.829 11.557 6.540 905 HD22 ASN 120 2HD2 ASN 120 9.280 12.652 5.279 906 H ASN 121 H ASN 121 4.803 8.797 5.916 907 HA ASN 121 HA ASN 121 5.160 6.140 6.742 908 HB2 ASN 121 2HB ASN 121 2.546 7.673 6.581 909 HB3 ASN 121 3HB ASN 121 2.831 6.217 7.533 910 HD21 ASN 121 1HD2 ASN 121 1.923 8.674 8.568 911 HD22 ASN 121 2HD2 ASN 121 3.139 9.281 9.636 912 H LEU 122 H LEU 122 3.062 7.452 4.157 913 HA LEU 122 HA LEU 122 2.083 5.046 3.155 914 HB2 LEU 122 2HB LEU 122 2.772 7.633 1.767 915 HB3 LEU 122 3HB LEU 122 2.082 6.275 0.897 916 HG LEU 122 HG LEU 122 0.770 7.754 3.188 917 HD11 LEU 122 1HD1 LEU 122 0.120 7.680 0.238 918 HD12 LEU 122 2HD1 LEU 122 0.820 9.043 1.115 919 HD13 LEU 122 3HD1 LEU 122 -0.817 8.504 1.488 920 HD21 LEU 122 3HD2 LEU 122 -1.188 6.370 2.694 921 HD22 LEU 122 1HD2 LEU 122 0.186 5.380 3.191 922 HD23 LEU 122 2HD2 LEU 122 -0.261 5.479 1.487 923 H LEU 123 H LEU 123 5.103 6.731 2.261 924 HA LEU 123 HA LEU 123 6.066 4.929 0.372 925 HB2 LEU 123 2HB LEU 123 7.086 7.117 0.834 926 HB3 LEU 123 3HB LEU 123 7.652 6.537 2.390 927 HG LEU 123 HG LEU 123 9.111 4.898 1.233 928 HD11 LEU 123 1HD1 LEU 123 7.826 4.589 -0.806 929 HD12 LEU 123 2HD1 LEU 123 9.470 5.096 -1.190 930 HD13 LEU 123 3HD1 LEU 123 8.143 6.257 -1.286 931 HD21 LEU 123 3HD2 LEU 123 10.009 7.073 1.886 932 HD22 LEU 123 1HD2 LEU 123 9.500 7.760 0.344 933 HD23 LEU 123 2HD2 LEU 123 10.748 6.513 0.388 934 H SER 124 H SER 124 6.748 4.953 3.879 935 HA SER 124 HA SER 124 8.298 2.630 3.995 936 HB2 SER 124 2HB SER 124 8.116 4.202 5.874 937 HB3 SER 124 3HB SER 124 6.433 3.738 6.113 938 HG SER 124 HG SER 124 7.235 2.290 7.402 939 H CYS 125 H CYS 125 4.770 2.984 4.367 940 HA CYS 125 HA CYS 125 4.165 0.289 4.895 941 HB2 CYS 125 2HB CYS 125 2.459 2.384 3.520 942 HB3 CYS 125 3HB CYS 125 1.865 0.841 4.126 943 HG CYS 125 HG CYS 125 2.498 3.681 5.775 944 H VAL 126 H VAL 126 4.219 2.026 1.769 945 HA VAL 126 HA VAL 126 3.485 -0.136 0.130 946 HB VAL 126 HB VAL 126 5.279 2.218 -0.536 947 HG11 VAL 126 1HG1 VAL 126 4.723 1.756 -2.893 948 HG12 VAL 126 2HG1 VAL 126 3.871 0.293 -2.400 949 HG13 VAL 126 3HG1 VAL 126 5.612 0.419 -2.160 950 HG21 VAL 126 3HG2 VAL 126 2.322 1.796 -1.011 951 HG22 VAL 126 1HG2 VAL 126 3.262 3.205 -1.504 952 HG23 VAL 126 2HG2 VAL 126 3.027 2.856 0.209 953 H GLN 127 H GLN 127 6.707 0.941 1.201 954 HA GLN 127 HA GLN 127 8.268 -0.942 -0.164 955 HB2 GLN 127 2HB GLN 127 8.732 0.307 2.557 956 HB3 GLN 127 3HB GLN 127 9.950 -0.571 1.643 957 HG2 GLN 127 2HG GLN 127 9.920 1.099 -0.095 958 HG3 GLN 127 3HG GLN 127 8.578 1.937 0.683 959 HE21 GLN 127 1HE2 GLN 127 11.221 2.944 0.004 960 HE22 GLN 127 2HE2 GLN 127 11.923 3.486 1.484 961 H GLU 128 H GLU 128 6.729 -1.155 3.043 962 HA GLU 128 HA GLU 128 7.636 -3.729 3.738 963 HB2 GLU 128 2HB GLU 128 6.576 -2.115 5.311 964 HB3 GLU 128 3HB GLU 128 5.028 -2.399 4.529 965 HG2 GLU 128 2HG GLU 128 5.050 -3.683 6.517 966 HG3 GLU 128 3HG GLU 128 5.242 -4.812 5.178 967 H ILE 129 H ILE 129 4.500 -2.758 2.315 968 HA ILE 129 HA ILE 129 3.364 -5.273 2.020 969 HB ILE 129 HB ILE 129 3.037 -2.858 0.222 970 HG12 ILE 129 2HG1 ILE 129 1.363 -3.845 2.553 971 HG13 ILE 129 3HG1 ILE 129 2.467 -2.476 2.603 972 HG21 ILE 129 1HG2 ILE 129 0.905 -3.867 -0.479 973 HG22 ILE 129 2HG2 ILE 129 1.286 -5.313 0.460 974 HG23 ILE 129 3HG2 ILE 129 2.282 -4.874 -0.928 975 HD11 ILE 129 3HD1 ILE 129 1.095 -1.293 0.982 976 HD12 ILE 129 1HD1 ILE 129 0.147 -1.769 2.390 977 HD13 ILE 129 2HD1 ILE 129 0.002 -2.674 0.883 978 H SER 130 H SER 130 5.200 -3.466 -0.473 979 HA SER 130 HA SER 130 5.245 -5.468 -2.426 980 HB2 SER 130 2HB SER 130 5.935 -3.171 -2.918 981 HB3 SER 130 3HB SER 130 7.332 -3.340 -1.856 982 HG SER 130 HG SER 130 8.046 -3.704 -3.921 983 H ASP 131 H ASP 131 7.561 -4.815 0.186 984 HA ASP 131 HA ASP 131 9.498 -6.719 -0.457 985 HB2 ASP 131 2HB ASP 131 9.701 -4.868 1.213 986 HB3 ASP 131 3HB ASP 131 8.712 -5.807 2.325 987 H VAL 132 H VAL 132 6.656 -7.032 1.681 988 HA VAL 132 HA VAL 132 7.037 -9.667 2.526 989 HB VAL 132 HB VAL 132 4.427 -8.201 2.050 990 HG11 VAL 132 1HG1 VAL 132 4.948 -10.725 3.632 991 HG12 VAL 132 2HG1 VAL 132 4.033 -10.610 2.128 992 HG13 VAL 132 3HG1 VAL 132 3.424 -9.837 3.592 993 HG21 VAL 132 3HG2 VAL 132 6.049 -8.597 4.571 994 HG22 VAL 132 1HG2 VAL 132 4.488 -7.783 4.464 995 HG23 VAL 132 2HG2 VAL 132 5.901 -7.093 3.664 996 H VAL 133 H VAL 133 5.320 -8.466 -0.355 997 HA VAL 133 HA VAL 133 4.469 -10.970 -1.343 998 HB VAL 133 HB VAL 133 5.131 -8.471 -2.926 999 HG11 VAL 133 1HG1 VAL 133 3.405 -10.844 -3.652 1000 HG12 VAL 133 2HG1 VAL 133 4.968 -10.436 -4.361 1001 HG13 VAL 133 3HG1 VAL 133 3.585 -9.372 -4.608 1002 HG21 VAL 133 3HG2 VAL 133 2.740 -7.953 -2.749 1003 HG22 VAL 133 1HG2 VAL 133 3.497 -8.032 -1.158 1004 HG23 VAL 133 2HG2 VAL 133 2.504 -9.372 -1.730 1005 H GLN 134 H GLN 134 7.502 -9.222 -1.693 1006 HA GLN 134 HA GLN 134 8.592 -10.931 -3.729 1007 HB2 GLN 134 2HB GLN 134 10.022 -9.003 -1.880 1008 HB3 GLN 134 3HB GLN 134 10.685 -9.717 -3.343 1009 HG2 GLN 134 2HG GLN 134 8.972 -8.549 -4.673 1010 HG3 GLN 134 3HG GLN 134 8.358 -7.807 -3.195 1011 HE21 GLN 134 1HE2 GLN 134 8.774 -5.737 -3.930 1012 HE22 GLN 134 2HE2 GLN 134 10.374 -5.104 -4.066 1013 H ARG 135 H ARG 135 7.991 -11.586 -0.536 1014 HA ARG 135 HA ARG 135 10.457 -13.003 0.059 1015 HB2 ARG 135 2HB ARG 135 7.861 -12.851 1.621 1016 HB3 ARG 135 3HB ARG 135 9.355 -13.587 2.197 1017 HG2 ARG 135 2HG ARG 135 10.489 -11.444 2.066 1018 HG3 ARG 135 3HG ARG 135 9.033 -10.692 1.423 1019 HD2 ARG 135 2HD ARG 135 7.872 -11.307 3.558 1020 HD3 ARG 135 3HD ARG 135 9.436 -11.843 4.184 1021 HE ARG 135 HE ARG 135 9.728 -9.242 3.205 1022 HH11 ARG 135 1HH1 ARG 135 8.167 -10.849 5.835 1023 HH12 ARG 135 2HH1 ARG 135 8.172 -9.427 6.821 1024 HH21 ARG 135 1HH2 ARG 135 9.733 -7.474 4.466 1025 HH22 ARG 135 2HH2 ARG 135 9.048 -7.531 6.054 Start of MODEL 8 1 H1 MET 1 1H MET 1 -56.666 -14.357 16.978 2 H2 MET 1 2H MET 1 -56.157 -15.898 16.508 3 H3 MET 1 3H MET 1 -57.741 -15.406 16.198 4 HA MET 1 HA MET 1 -56.459 -15.329 14.185 5 HB2 MET 1 2HB MET 1 -58.233 -13.647 14.544 6 HB3 MET 1 3HB MET 1 -57.064 -12.571 15.288 7 HG2 MET 1 2HG MET 1 -56.860 -13.519 12.440 8 HG3 MET 1 3HG MET 1 -57.682 -12.035 12.921 9 HE1 MET 1 3HE MET 1 -55.284 -12.128 10.774 10 HE2 MET 1 1HE MET 1 -54.384 -10.696 11.273 11 HE3 MET 1 2HE MET 1 -56.148 -10.665 11.246 12 H GLY 2 H GLY 2 -54.542 -14.953 13.136 13 HA2 GLY 2 2HA GLY 2 -52.215 -14.631 14.758 14 HA3 GLY 2 3HA GLY 2 -52.248 -14.819 13.015 15 H HIS 3 H HIS 3 -52.971 -12.373 15.510 16 HA HIS 3 HA HIS 3 -52.309 -10.178 13.748 17 HB2 HIS 3 2HB HIS 3 -52.668 -8.773 15.779 18 HB3 HIS 3 3HB HIS 3 -54.032 -9.822 15.414 19 HD1 HIS 3 HD1 HIS 3 -54.614 -11.653 17.122 20 HD2 HIS 3 HD2 HIS 3 -51.275 -9.406 18.164 21 HE1 HIS 3 HE1 HIS 3 -54.136 -12.229 19.511 22 HE2 HIS 3 HE2 HIS 3 -52.229 -10.733 20.166 23 H HIS 4 H HIS 4 -50.395 -9.004 13.701 24 HA HIS 4 HA HIS 4 -48.231 -9.794 15.508 25 HB2 HIS 4 2HB HIS 4 -46.718 -10.340 13.610 26 HB3 HIS 4 3HB HIS 4 -48.070 -11.461 13.759 27 HD1 HIS 4 HD1 HIS 4 -46.833 -8.620 11.607 28 HD2 HIS 4 HD2 HIS 4 -49.757 -11.570 11.576 29 HE1 HIS 4 HE1 HIS 4 -47.826 -8.559 9.306 30 HE2 HIS 4 HE2 HIS 4 -49.702 -10.224 9.373 31 H HIS 5 H HIS 5 -46.507 -8.397 15.625 32 HA HIS 5 HA HIS 5 -46.733 -5.697 14.917 33 HB2 HIS 5 2HB HIS 5 -44.336 -5.548 15.518 34 HB3 HIS 5 3HB HIS 5 -45.243 -6.488 16.699 35 HD1 HIS 5 HD1 HIS 5 -42.603 -6.813 14.069 36 HD2 HIS 5 HD2 HIS 5 -44.559 -9.208 16.842 37 HE1 HIS 5 HE1 HIS 5 -41.331 -8.971 14.106 38 HE2 HIS 5 HE2 HIS 5 -42.644 -10.466 15.641 39 H HIS 6 H HIS 6 -45.074 -4.503 13.511 40 HA HIS 6 HA HIS 6 -45.168 -5.290 10.827 41 HB2 HIS 6 2HB HIS 6 -43.183 -3.444 12.180 42 HB3 HIS 6 3HB HIS 6 -43.381 -3.595 10.438 43 HD1 HIS 6 HD1 HIS 6 -45.871 -2.926 9.547 44 HD2 HIS 6 HD2 HIS 6 -44.790 -1.576 13.323 45 HE1 HIS 6 HE1 HIS 6 -47.477 -1.072 10.082 46 HE2 HIS 6 HE2 HIS 6 -46.671 -0.148 12.276 47 H HIS 7 H HIS 7 -43.948 -6.601 9.578 48 HA HIS 7 HA HIS 7 -41.545 -7.831 10.788 49 HB2 HIS 7 2HB HIS 7 -43.483 -9.393 10.610 50 HB3 HIS 7 3HB HIS 7 -43.500 -9.138 8.868 51 HD1 HIS 7 HD1 HIS 7 -41.800 -10.435 7.470 52 HD2 HIS 7 HD2 HIS 7 -41.271 -10.911 11.567 53 HE1 HIS 7 HE1 HIS 7 -40.098 -12.261 7.726 54 HE2 HIS 7 HE2 HIS 7 -39.750 -12.493 10.207 55 H HIS 8 H HIS 8 -39.725 -8.076 9.508 56 HA HIS 8 HA HIS 8 -39.379 -6.330 7.309 57 HB2 HIS 8 2HB HIS 8 -37.647 -8.676 8.137 58 HB3 HIS 8 3HB HIS 8 -37.164 -7.367 7.061 59 HD1 HIS 8 HD1 HIS 8 -36.656 -8.370 10.369 60 HD2 HIS 8 HD2 HIS 8 -37.627 -4.724 8.625 61 HE1 HIS 8 HE1 HIS 8 -36.042 -6.625 12.067 62 HE2 HIS 8 HE2 HIS 8 -36.760 -4.444 11.043 63 H SER 9 H SER 9 -39.877 -6.570 5.234 64 HA SER 9 HA SER 9 -41.239 -8.921 4.342 65 HB2 SER 9 2HB SER 9 -40.385 -6.491 2.743 66 HB3 SER 9 3HB SER 9 -41.574 -7.698 2.247 67 HG SER 9 HG SER 9 -42.839 -6.197 3.125 68 H HIS 10 H HIS 10 -39.571 -10.520 4.546 69 HA HIS 10 HA HIS 10 -37.304 -10.403 2.733 70 HB2 HIS 10 2HB HIS 10 -37.090 -11.442 4.971 71 HB3 HIS 10 3HB HIS 10 -38.252 -12.678 4.499 72 HD1 HIS 10 HD1 HIS 10 -34.808 -11.423 3.526 73 HD2 HIS 10 HD2 HIS 10 -37.130 -14.860 3.261 74 HE1 HIS 10 HE1 HIS 10 -33.293 -13.183 2.582 75 HE2 HIS 10 HE2 HIS 10 -34.762 -15.201 2.274 76 H MET 11 H MET 11 -37.090 -11.464 0.809 77 HA MET 11 HA MET 11 -39.548 -12.651 -0.287 78 HB2 MET 11 2HB MET 11 -37.066 -11.751 -1.767 79 HB3 MET 11 3HB MET 11 -38.610 -12.205 -2.480 80 HG2 MET 11 2HG MET 11 -38.033 -9.797 -0.769 81 HG3 MET 11 3HG MET 11 -38.432 -9.822 -2.485 82 HE1 MET 11 3HE MET 11 -39.899 -7.998 -0.244 83 HE2 MET 11 1HE MET 11 -41.561 -8.127 -0.819 84 HE3 MET 11 2HE MET 11 -40.242 -7.937 -1.973 85 H ALA 12 H ALA 12 -39.297 -14.477 -1.835 86 HA ALA 12 HA ALA 12 -37.641 -16.568 -0.699 87 HB1 ALA 12 3HB ALA 12 -38.846 -18.036 -2.254 88 HB2 ALA 12 1HB ALA 12 -39.602 -16.629 -2.998 89 HB3 ALA 12 2HB ALA 12 -39.957 -17.035 -1.319 90 H ASN 13 H ASN 13 -37.240 -18.081 -3.153 91 HA ASN 13 HA ASN 13 -35.011 -16.521 -4.256 92 HB2 ASN 13 2HB ASN 13 -34.175 -18.820 -5.040 93 HB3 ASN 13 3HB ASN 13 -34.078 -18.443 -3.327 94 HD21 ASN 13 1HD2 ASN 13 -35.562 -19.440 -1.902 95 HD22 ASN 13 2HD2 ASN 13 -36.382 -20.897 -2.342 96 H GLY 14 H GLY 14 -36.527 -19.283 -5.815 97 HA2 GLY 14 2HA GLY 14 -37.681 -19.489 -7.801 98 HA3 GLY 14 3HA GLY 14 -37.928 -17.750 -7.782 99 H ALA 15 H ALA 15 -35.592 -16.617 -8.030 100 HA ALA 15 HA ALA 15 -34.669 -17.390 -10.673 101 HB1 ALA 15 3HB ALA 15 -33.539 -15.207 -10.624 102 HB2 ALA 15 1HB ALA 15 -34.035 -15.006 -8.941 103 HB3 ALA 15 2HB ALA 15 -35.251 -15.077 -10.216 104 H ALA 16 H ALA 16 -33.780 -18.416 -7.710 105 HA ALA 16 HA ALA 16 -31.932 -19.357 -6.775 106 HB1 ALA 16 3HB ALA 16 -31.959 -20.624 -8.887 107 HB2 ALA 16 1HB ALA 16 -30.325 -20.410 -8.257 108 HB3 ALA 16 2HB ALA 16 -30.886 -19.423 -9.606 109 H GLY 17 H GLY 17 -31.968 -16.346 -7.303 110 HA2 GLY 17 2HA GLY 17 -29.051 -15.850 -7.126 111 HA3 GLY 17 3HA GLY 17 -30.209 -14.696 -7.762 112 H THR 18 H THR 18 -31.117 -16.450 -4.927 113 HA THR 18 HA THR 18 -31.076 -13.977 -3.367 114 HB THR 18 HB THR 18 -32.177 -16.691 -2.566 115 HG1 THR 18 HG1 THR 18 -34.184 -15.170 -3.120 116 HG21 THR 18 3HG2 THR 18 -33.533 -15.393 -0.973 117 HG22 THR 18 1HG2 THR 18 -32.735 -13.912 -1.498 118 HG23 THR 18 2HG2 THR 18 -31.810 -15.167 -0.674 119 H LYS 19 H LYS 19 -29.376 -16.977 -3.607 120 HA LYS 19 HA LYS 19 -28.154 -17.110 -1.080 121 HB2 LYS 19 2HB LYS 19 -26.429 -18.502 -2.263 122 HB3 LYS 19 3HB LYS 19 -28.092 -19.011 -2.533 123 HG2 LYS 19 2HG LYS 19 -27.994 -17.649 -4.690 124 HG3 LYS 19 3HG LYS 19 -26.250 -17.584 -4.435 125 HD2 LYS 19 2HD LYS 19 -27.885 -20.119 -4.638 126 HD3 LYS 19 3HD LYS 19 -26.946 -19.412 -5.953 127 HE2 LYS 19 2HE LYS 19 -25.804 -20.343 -3.316 128 HE3 LYS 19 3HE LYS 19 -25.787 -21.278 -4.811 129 HZ1 LYS 19 3HZ LYS 19 -24.499 -19.459 -5.835 130 HZ2 LYS 19 1HZ LYS 19 -23.694 -20.193 -4.538 131 HZ3 LYS 19 2HZ LYS 19 -24.426 -18.683 -4.334 132 H VAL 20 H VAL 20 -27.099 -15.456 -4.062 133 HA VAL 20 HA VAL 20 -24.992 -14.108 -2.511 134 HB VAL 20 HB VAL 20 -25.390 -14.073 -5.515 135 HG11 VAL 20 1HG1 VAL 20 -24.215 -12.101 -4.679 136 HG12 VAL 20 2HG1 VAL 20 -23.110 -13.147 -5.572 137 HG13 VAL 20 3HG1 VAL 20 -23.077 -13.130 -3.807 138 HG21 VAL 20 3HG2 VAL 20 -23.452 -15.598 -5.599 139 HG22 VAL 20 1HG2 VAL 20 -24.829 -16.322 -4.765 140 HG23 VAL 20 2HG2 VAL 20 -23.467 -15.696 -3.838 141 H ALA 21 H ALA 21 -26.526 -12.796 -1.381 142 HA ALA 21 HA ALA 21 -27.648 -10.573 -2.980 143 HB1 ALA 21 3HB ALA 21 -29.184 -10.177 -1.123 144 HB2 ALA 21 1HB ALA 21 -28.444 -11.494 -0.213 145 HB3 ALA 21 2HB ALA 21 -29.321 -11.836 -1.704 146 H LEU 22 H LEU 22 -26.353 -11.128 0.309 147 HA LEU 22 HA LEU 22 -25.264 -8.446 0.441 148 HB2 LEU 22 2HB LEU 22 -24.872 -10.767 2.341 149 HB3 LEU 22 3HB LEU 22 -24.526 -9.079 2.674 150 HG LEU 22 HG LEU 22 -27.271 -10.279 2.226 151 HD11 LEU 22 1HD1 LEU 22 -26.309 -10.889 4.379 152 HD12 LEU 22 2HD1 LEU 22 -27.645 -9.757 4.584 153 HD13 LEU 22 3HD1 LEU 22 -25.979 -9.191 4.728 154 HD21 LEU 22 3HD2 LEU 22 -26.487 -7.435 2.887 155 HD22 LEU 22 1HD2 LEU 22 -28.134 -8.066 2.847 156 HD23 LEU 22 2HD2 LEU 22 -27.178 -8.000 1.368 157 H ARG 23 H ARG 23 -24.260 -11.301 -0.937 158 HA ARG 23 HA ARG 23 -22.328 -12.197 -1.698 159 HB2 ARG 23 2HB ARG 23 -22.322 -9.961 -2.850 160 HB3 ARG 23 3HB ARG 23 -21.262 -9.366 -1.579 161 HG2 ARG 23 2HG ARG 23 -19.582 -11.048 -2.207 162 HG3 ARG 23 3HG ARG 23 -20.648 -11.617 -3.493 163 HD2 ARG 23 2HD ARG 23 -19.005 -10.153 -4.454 164 HD3 ARG 23 3HD ARG 23 -20.567 -9.337 -4.494 165 HE ARG 23 HE ARG 23 -19.148 -8.641 -2.147 166 HH11 ARG 23 1HH1 ARG 23 -19.200 -8.041 -5.546 167 HH12 ARG 23 2HH1 ARG 23 -18.464 -6.487 -5.387 168 HH21 ARG 23 1HH2 ARG 23 -18.183 -6.654 -1.967 169 HH22 ARG 23 2HH2 ARG 23 -17.891 -5.711 -3.386 170 H LYS 24 H LYS 24 -22.253 -13.162 0.537 171 HA LYS 24 HA LYS 24 -20.297 -12.067 2.371 172 HB2 LYS 24 2HB LYS 24 -21.726 -14.733 2.462 173 HB3 LYS 24 3HB LYS 24 -20.832 -13.987 3.783 174 HG2 LYS 24 2HG LYS 24 -22.460 -12.096 3.729 175 HG3 LYS 24 3HG LYS 24 -23.390 -12.994 2.530 176 HD2 LYS 24 2HD LYS 24 -22.794 -13.858 5.368 177 HD3 LYS 24 3HD LYS 24 -24.347 -13.301 4.746 178 HE2 LYS 24 2HE LYS 24 -24.662 -15.579 4.688 179 HE3 LYS 24 3HE LYS 24 -24.036 -15.307 3.065 180 HZ1 LYS 24 3HZ LYS 24 -22.978 -17.200 4.137 181 HZ2 LYS 24 1HZ LYS 24 -22.443 -16.217 5.403 182 HZ3 LYS 24 2HZ LYS 24 -21.842 -15.982 3.842 183 H THR 25 H THR 25 -20.326 -14.485 -0.141 184 HA THR 25 HA THR 25 -17.479 -15.036 0.354 185 HB THR 25 HB THR 25 -18.655 -16.924 1.355 186 HG1 THR 25 HG1 THR 25 -17.847 -18.554 -0.387 187 HG21 THR 25 3HG2 THR 25 -20.068 -18.412 0.014 188 HG22 THR 25 1HG2 THR 25 -19.904 -17.334 -1.372 189 HG23 THR 25 2HG2 THR 25 -20.750 -16.787 0.076 190 H LYS 26 H LYS 26 -16.671 -16.526 -1.565 191 HA LYS 26 HA LYS 26 -16.899 -14.962 -3.938 192 HB2 LYS 26 2HB LYS 26 -15.629 -17.690 -3.574 193 HB3 LYS 26 3HB LYS 26 -15.348 -16.587 -4.911 194 HG2 LYS 26 2HG LYS 26 -14.403 -14.943 -3.287 195 HG3 LYS 26 3HG LYS 26 -14.570 -16.168 -2.026 196 HD2 LYS 26 2HD LYS 26 -13.103 -17.673 -3.356 197 HD3 LYS 26 3HD LYS 26 -12.881 -16.375 -4.528 198 HE2 LYS 26 2HE LYS 26 -10.979 -16.334 -3.103 199 HE3 LYS 26 3HE LYS 26 -11.985 -14.964 -2.639 200 HZ1 LYS 26 3HZ LYS 26 -11.806 -17.574 -1.233 201 HZ2 LYS 26 1HZ LYS 26 -12.857 -16.322 -0.797 202 HZ3 LYS 26 2HZ LYS 26 -11.183 -16.100 -0.689 203 H GLN 27 H GLN 27 -17.641 -15.665 -6.044 204 HA GLN 27 HA GLN 27 -19.813 -17.661 -5.880 205 HB2 GLN 27 2HB GLN 27 -20.975 -16.272 -7.649 206 HB3 GLN 27 3HB GLN 27 -20.880 -15.560 -6.045 207 HG2 GLN 27 2HG GLN 27 -19.056 -14.123 -6.760 208 HG3 GLN 27 3HG GLN 27 -19.063 -14.877 -8.354 209 HE21 GLN 27 1HE2 GLN 27 -20.763 -12.734 -6.201 210 HE22 GLN 27 2HE2 GLN 27 -21.805 -12.050 -7.398 211 H ALA 28 H ALA 28 -17.732 -16.064 -8.344 212 HA ALA 28 HA ALA 28 -17.054 -18.584 -9.541 213 HB1 ALA 28 3HB ALA 28 -19.313 -18.302 -10.463 214 HB2 ALA 28 1HB ALA 28 -18.085 -18.200 -11.727 215 HB3 ALA 28 2HB ALA 28 -18.849 -16.732 -11.119 216 H ALA 29 H ALA 29 -15.193 -18.429 -10.732 217 HA ALA 29 HA ALA 29 -13.535 -16.207 -10.416 218 HB1 ALA 29 3HB ALA 29 -11.978 -17.329 -11.891 219 HB2 ALA 29 1HB ALA 29 -13.264 -18.378 -12.490 220 HB3 ALA 29 2HB ALA 29 -12.740 -18.496 -10.810 221 H GLU 30 H GLU 30 -15.980 -16.653 -12.796 222 HA GLU 30 HA GLU 30 -14.921 -14.875 -14.769 223 HB2 GLU 30 2HB GLU 30 -17.217 -14.857 -15.684 224 HB3 GLU 30 3HB GLU 30 -16.637 -16.487 -15.371 225 HG2 GLU 30 2HG GLU 30 -17.935 -16.547 -13.293 226 HG3 GLU 30 3HG GLU 30 -18.530 -14.921 -13.626 227 H LYS 31 H LYS 31 -16.953 -14.463 -11.916 228 HA LYS 31 HA LYS 31 -17.263 -11.612 -12.385 229 HB2 LYS 31 2HB LYS 31 -18.276 -13.380 -10.148 230 HB3 LYS 31 3HB LYS 31 -18.761 -11.731 -10.468 231 HG2 LYS 31 2HG LYS 31 -19.238 -14.062 -12.311 232 HG3 LYS 31 3HG LYS 31 -20.432 -13.365 -11.219 233 HD2 LYS 31 2HD LYS 31 -19.059 -11.814 -13.418 234 HD3 LYS 31 3HD LYS 31 -20.617 -12.617 -13.611 235 HE2 LYS 31 2HE LYS 31 -20.001 -10.458 -11.588 236 HE3 LYS 31 3HE LYS 31 -20.843 -10.209 -13.116 237 HZ1 LYS 31 3HZ LYS 31 -21.775 -11.886 -10.850 238 HZ2 LYS 31 1HZ LYS 31 -22.569 -11.748 -12.338 239 HZ3 LYS 31 2HZ LYS 31 -22.417 -10.401 -11.329 240 H ILE 32 H ILE 32 -15.327 -13.812 -10.548 241 HA ILE 32 HA ILE 32 -14.569 -11.967 -8.462 242 HB ILE 32 HB ILE 32 -13.414 -14.651 -9.250 243 HG12 ILE 32 2HG1 ILE 32 -15.238 -13.936 -6.938 244 HG13 ILE 32 3HG1 ILE 32 -15.791 -14.650 -8.450 245 HG21 ILE 32 1HG2 ILE 32 -12.912 -13.018 -6.756 246 HG22 ILE 32 2HG2 ILE 32 -11.754 -13.318 -8.053 247 HG23 ILE 32 3HG2 ILE 32 -12.323 -14.653 -7.053 248 HD11 ILE 32 3HD1 ILE 32 -15.591 -16.344 -6.758 249 HD12 ILE 32 1HD1 ILE 32 -13.910 -15.900 -6.460 250 HD13 ILE 32 2HD1 ILE 32 -14.374 -16.611 -8.006 251 H SER 33 H SER 33 -12.777 -10.672 -8.364 252 HA SER 33 HA SER 33 -10.995 -10.619 -10.715 253 HB2 SER 33 2HB SER 33 -12.190 -8.509 -10.138 254 HB3 SER 33 3HB SER 33 -11.354 -8.490 -8.586 255 HG SER 33 HG SER 33 -9.706 -7.626 -9.564 256 H ALA 34 H ALA 34 -11.032 -11.687 -7.525 257 HA ALA 34 HA ALA 34 -8.545 -10.957 -6.498 258 HB1 ALA 34 3HB ALA 34 -10.051 -13.530 -6.005 259 HB2 ALA 34 1HB ALA 34 -10.301 -12.006 -5.152 260 HB3 ALA 34 2HB ALA 34 -8.770 -12.866 -4.990 261 H ASP 35 H ASP 35 -9.386 -13.799 -8.500 262 HA ASP 35 HA ASP 35 -6.679 -14.782 -8.551 263 HB2 ASP 35 2HB ASP 35 -7.528 -16.446 -10.110 264 HB3 ASP 35 3HB ASP 35 -8.664 -16.260 -8.776 265 H LYS 36 H LYS 36 -8.465 -12.451 -10.315 266 HA LYS 36 HA LYS 36 -6.843 -12.424 -12.683 267 HB2 LYS 36 2HB LYS 36 -9.200 -11.614 -12.597 268 HB3 LYS 36 3HB LYS 36 -8.686 -10.284 -11.576 269 HG2 LYS 36 2HG LYS 36 -7.399 -10.625 -14.251 270 HG3 LYS 36 3HG LYS 36 -9.034 -9.973 -14.164 271 HD2 LYS 36 2HD LYS 36 -8.231 -8.201 -12.644 272 HD3 LYS 36 3HD LYS 36 -6.594 -8.845 -12.772 273 HE2 LYS 36 2HE LYS 36 -6.572 -8.379 -15.163 274 HE3 LYS 36 3HE LYS 36 -8.237 -7.806 -15.085 275 HZ1 LYS 36 3HZ LYS 36 -5.926 -6.566 -13.689 276 HZ2 LYS 36 1HZ LYS 36 -7.523 -6.008 -13.653 277 HZ3 LYS 36 2HZ LYS 36 -6.651 -5.984 -15.096 278 H ILE 37 H ILE 37 -6.746 -10.881 -9.538 279 HA ILE 37 HA ILE 37 -4.758 -8.935 -10.122 280 HB ILE 37 HB ILE 37 -5.261 -10.264 -7.447 281 HG12 ILE 37 2HG1 ILE 37 -7.356 -9.353 -8.292 282 HG13 ILE 37 3HG1 ILE 37 -6.761 -8.342 -6.983 283 HG21 ILE 37 1HG2 ILE 37 -4.352 -8.166 -6.521 284 HG22 ILE 37 2HG2 ILE 37 -4.013 -7.603 -8.159 285 HG23 ILE 37 3HG2 ILE 37 -3.176 -9.019 -7.521 286 HD11 ILE 37 3HD1 ILE 37 -5.940 -6.719 -8.615 287 HD12 ILE 37 1HD1 ILE 37 -7.670 -7.008 -8.786 288 HD13 ILE 37 2HD1 ILE 37 -6.539 -7.738 -9.924 289 H SER 38 H SER 38 -3.002 -9.741 -11.194 290 HA SER 38 HA SER 38 -1.615 -12.110 -10.228 291 HB2 SER 38 2HB SER 38 -0.928 -10.255 -12.527 292 HB3 SER 38 3HB SER 38 -0.161 -11.806 -12.189 293 HG SER 38 HG SER 38 -2.673 -12.382 -12.267 294 H LYS 39 H LYS 39 0.647 -12.138 -9.706 295 HA LYS 39 HA LYS 39 1.477 -10.386 -7.752 296 HB2 LYS 39 2HB LYS 39 2.456 -12.586 -8.076 297 HB3 LYS 39 3HB LYS 39 3.167 -12.083 -9.601 298 HG2 LYS 39 2HG LYS 39 4.713 -10.642 -8.506 299 HG3 LYS 39 3HG LYS 39 3.881 -10.820 -6.959 300 HD2 LYS 39 2HD LYS 39 4.514 -13.154 -6.836 301 HD3 LYS 39 3HD LYS 39 5.232 -13.079 -8.446 302 HE2 LYS 39 2HE LYS 39 6.184 -11.389 -6.137 303 HE3 LYS 39 3HE LYS 39 6.848 -12.981 -6.501 304 HZ1 LYS 39 3HZ LYS 39 6.826 -10.678 -8.382 305 HZ2 LYS 39 1HZ LYS 39 7.528 -12.189 -8.656 306 HZ3 LYS 39 2HZ LYS 39 8.157 -11.174 -7.463 307 H GLU 40 H GLU 40 2.406 -10.291 -11.198 308 HA GLU 40 HA GLU 40 4.064 -8.060 -11.159 309 HB2 GLU 40 2HB GLU 40 3.441 -7.783 -13.555 310 HB3 GLU 40 3HB GLU 40 3.879 -9.433 -13.135 311 HG2 GLU 40 2HG GLU 40 1.532 -10.069 -13.073 312 HG3 GLU 40 3HG GLU 40 1.055 -8.406 -13.414 313 H ALA 41 H ALA 41 0.520 -8.184 -11.470 314 HA ALA 41 HA ALA 41 0.099 -5.468 -12.058 315 HB1 ALA 41 3HB ALA 41 -1.778 -7.427 -10.731 316 HB2 ALA 41 1HB ALA 41 -1.598 -7.166 -12.466 317 HB3 ALA 41 2HB ALA 41 -2.241 -5.881 -11.445 318 H LEU 42 H LEU 42 0.021 -7.193 -8.946 319 HA LEU 42 HA LEU 42 -0.718 -5.006 -7.337 320 HB2 LEU 42 2HB LEU 42 -0.720 -7.435 -6.678 321 HB3 LEU 42 3HB LEU 42 1.023 -7.346 -6.527 322 HG LEU 42 HG LEU 42 -0.769 -5.536 -4.905 323 HD11 LEU 42 1HD1 LEU 42 -0.679 -7.171 -3.090 324 HD12 LEU 42 2HD1 LEU 42 0.128 -8.323 -4.158 325 HD13 LEU 42 3HD1 LEU 42 -1.528 -7.815 -4.495 326 HD21 LEU 42 3HD2 LEU 42 1.133 -5.540 -3.352 327 HD22 LEU 42 1HD2 LEU 42 1.611 -4.975 -4.952 328 HD23 LEU 42 2HD2 LEU 42 2.023 -6.610 -4.438 329 H LEU 43 H LEU 43 2.528 -6.322 -8.059 330 HA LEU 43 HA LEU 43 4.016 -4.449 -6.608 331 HB2 LEU 43 2HB LEU 43 4.783 -5.906 -9.144 332 HB3 LEU 43 3HB LEU 43 5.906 -5.083 -8.077 333 HG LEU 43 HG LEU 43 4.221 -7.485 -7.332 334 HD11 LEU 43 1HD1 LEU 43 6.004 -8.045 -8.903 335 HD12 LEU 43 2HD1 LEU 43 6.323 -8.712 -7.304 336 HD13 LEU 43 3HD1 LEU 43 7.188 -7.273 -7.846 337 HD21 LEU 43 3HD2 LEU 43 5.537 -7.523 -5.274 338 HD22 LEU 43 1HD2 LEU 43 4.620 -6.024 -5.415 339 HD23 LEU 43 2HD2 LEU 43 6.352 -6.034 -5.754 340 H GLU 44 H GLU 44 2.998 -4.352 -10.024 341 HA GLU 44 HA GLU 44 4.194 -1.928 -10.752 342 HB2 GLU 44 2HB GLU 44 1.689 -3.300 -11.725 343 HB3 GLU 44 3HB GLU 44 2.304 -1.828 -12.465 344 HG2 GLU 44 2HG GLU 44 3.852 -4.406 -12.233 345 HG3 GLU 44 3HG GLU 44 2.952 -3.896 -13.662 346 H CYS 45 H CYS 45 0.935 -2.510 -9.426 347 HA CYS 45 HA CYS 45 0.078 0.183 -9.449 348 HB2 CYS 45 2HB CYS 45 -0.800 -2.117 -7.682 349 HB3 CYS 45 3HB CYS 45 -1.627 -0.566 -7.780 350 HG CYS 45 HG CYS 45 -1.299 -2.828 -10.333 351 H ALA 46 H ALA 46 1.757 -1.719 -6.977 352 HA ALA 46 HA ALA 46 1.652 0.283 -4.952 353 HB1 ALA 46 3HB ALA 46 3.281 -1.115 -3.777 354 HB2 ALA 46 1HB ALA 46 3.507 -2.080 -5.238 355 HB3 ALA 46 2HB ALA 46 1.945 -2.069 -4.419 356 H ASP 47 H ASP 47 4.058 -0.566 -7.412 357 HA ASP 47 HA ASP 47 6.198 1.013 -6.583 358 HB2 ASP 47 2HB ASP 47 6.096 -0.687 -8.499 359 HB3 ASP 47 3HB ASP 47 5.436 0.613 -9.484 360 H LEU 48 H LEU 48 3.229 1.914 -8.186 361 HA LEU 48 HA LEU 48 3.850 4.470 -9.117 362 HB2 LEU 48 2HB LEU 48 1.272 3.343 -8.033 363 HB3 LEU 48 3HB LEU 48 1.387 4.930 -8.775 364 HG LEU 48 HG LEU 48 2.051 2.327 -10.170 365 HD11 LEU 48 1HD1 LEU 48 -0.038 2.663 -11.396 366 HD12 LEU 48 2HD1 LEU 48 -0.395 4.083 -10.413 367 HD13 LEU 48 3HD1 LEU 48 -0.336 2.486 -9.667 368 HD21 LEU 48 3HD2 LEU 48 2.078 3.716 -12.197 369 HD22 LEU 48 1HD2 LEU 48 3.308 4.226 -11.041 370 HD23 LEU 48 2HD2 LEU 48 1.819 5.158 -11.211 371 H LEU 49 H LEU 49 2.951 3.424 -5.851 372 HA LEU 49 HA LEU 49 2.673 6.101 -4.847 373 HB2 LEU 49 2HB LEU 49 2.938 3.462 -3.394 374 HB3 LEU 49 3HB LEU 49 2.674 4.998 -2.593 375 HG LEU 49 HG LEU 49 0.536 5.202 -3.962 376 HD11 LEU 49 1HD1 LEU 49 1.056 2.270 -4.447 377 HD12 LEU 49 2HD1 LEU 49 1.037 3.543 -5.667 378 HD13 LEU 49 3HD1 LEU 49 -0.444 3.128 -4.806 379 HD21 LEU 49 3HD2 LEU 49 0.529 4.651 -1.585 380 HD22 LEU 49 1HD2 LEU 49 0.732 2.942 -1.969 381 HD23 LEU 49 2HD2 LEU 49 -0.745 3.784 -2.439 382 H SER 50 H SER 50 5.189 3.579 -4.469 383 HA SER 50 HA SER 50 6.995 5.109 -2.951 384 HB2 SER 50 2HB SER 50 8.737 3.523 -3.801 385 HB3 SER 50 3HB SER 50 7.302 2.711 -3.180 386 HG SER 50 HG SER 50 8.329 2.781 -5.733 387 H SER 51 H SER 51 6.644 4.776 -6.462 388 HA SER 51 HA SER 51 8.795 6.438 -7.219 389 HB2 SER 51 2HB SER 51 7.712 4.966 -8.828 390 HB3 SER 51 3HB SER 51 6.201 5.857 -8.672 391 HG SER 51 HG SER 51 8.501 7.284 -9.403 392 H ALA 52 H ALA 52 5.349 7.209 -6.725 393 HA ALA 52 HA ALA 52 5.541 9.908 -7.547 394 HB1 ALA 52 3HB ALA 52 3.314 10.175 -6.664 395 HB2 ALA 52 1HB ALA 52 3.474 8.696 -5.715 396 HB3 ALA 52 2HB ALA 52 3.435 8.612 -7.478 397 H LEU 53 H LEU 53 5.906 8.400 -4.362 398 HA LEU 53 HA LEU 53 5.772 10.795 -2.852 399 HB2 LEU 53 2HB LEU 53 6.983 8.108 -2.220 400 HB3 LEU 53 3HB LEU 53 6.876 9.416 -1.054 401 HG LEU 53 HG LEU 53 4.503 8.118 -2.413 402 HD11 LEU 53 1HD1 LEU 53 5.523 7.790 0.408 403 HD12 LEU 53 2HD1 LEU 53 5.597 6.576 -0.868 404 HD13 LEU 53 3HD1 LEU 53 4.035 7.104 -0.246 405 HD21 LEU 53 3HD2 LEU 53 4.639 10.137 -0.170 406 HD22 LEU 53 1HD2 LEU 53 3.174 9.360 -0.774 407 HD23 LEU 53 2HD2 LEU 53 4.088 10.445 -1.819 408 H THR 54 H THR 54 8.313 9.551 -4.811 409 HA THR 54 HA THR 54 10.398 11.059 -3.404 410 HB THR 54 HB THR 54 11.975 10.129 -5.029 411 HG1 THR 54 HG1 THR 54 10.496 8.307 -6.277 412 HG21 THR 54 3HG2 THR 54 11.718 7.729 -4.463 413 HG22 THR 54 1HG2 THR 54 10.090 8.065 -3.875 414 HG23 THR 54 2HG2 THR 54 11.484 8.783 -3.068 415 H GLU 55 H GLU 55 8.049 11.813 -5.562 416 HA GLU 55 HA GLU 55 9.567 14.126 -6.586 417 HB2 GLU 55 2HB GLU 55 8.373 13.960 -8.729 418 HB3 GLU 55 3HB GLU 55 9.330 12.518 -8.424 419 HG2 GLU 55 2HG GLU 55 7.319 11.314 -7.731 420 HG3 GLU 55 3HG GLU 55 6.351 12.763 -8.006 421 HA PRO 56 HA PRO 56 6.013 16.453 -5.201 422 HB2 PRO 56 2HB PRO 56 5.557 18.305 -7.142 423 HB3 PRO 56 3HB PRO 56 6.938 18.391 -6.043 424 HG2 PRO 56 2HG PRO 56 6.821 17.376 -8.864 425 HG3 PRO 56 3HG PRO 56 8.045 18.404 -8.095 426 HD2 PRO 56 2HD PRO 56 8.397 15.738 -8.466 427 HD3 PRO 56 3HD PRO 56 9.106 16.613 -7.093 428 H VAL 57 H VAL 57 4.054 15.570 -5.084 429 HA VAL 57 HA VAL 57 2.350 15.463 -7.465 430 HB VAL 57 HB VAL 57 1.410 13.247 -6.689 431 HG11 VAL 57 1HG1 VAL 57 2.904 13.367 -8.615 432 HG12 VAL 57 2HG1 VAL 57 3.158 11.876 -7.708 433 HG13 VAL 57 3HG1 VAL 57 4.304 13.210 -7.553 434 HG21 VAL 57 3HG2 VAL 57 3.919 13.170 -5.006 435 HG22 VAL 57 1HG2 VAL 57 2.801 11.827 -5.251 436 HG23 VAL 57 2HG2 VAL 57 2.265 13.277 -4.400 437 HA PRO 58 HA PRO 58 -0.668 17.067 -4.548 438 HB2 PRO 58 2HB PRO 58 -2.980 16.222 -5.756 439 HB3 PRO 58 3HB PRO 58 -2.050 17.627 -6.287 440 HG2 PRO 58 2HG PRO 58 -2.104 14.855 -7.408 441 HG3 PRO 58 3HG PRO 58 -2.027 16.408 -8.259 442 HD2 PRO 58 2HD PRO 58 0.147 14.817 -7.876 443 HD3 PRO 58 3HD PRO 58 0.253 16.585 -7.993 444 H ASN 59 H ASN 59 -1.279 16.233 -2.613 445 HA ASN 59 HA ASN 59 -1.028 13.539 -1.951 446 HB2 ASN 59 2HB ASN 59 -2.597 15.714 -0.547 447 HB3 ASN 59 3HB ASN 59 -2.243 14.136 0.157 448 HD21 ASN 59 1HD2 ASN 59 -0.116 13.640 0.714 449 HD22 ASN 59 2HD2 ASN 59 1.091 14.858 0.888 450 H SER 60 H SER 60 -3.843 15.275 -3.122 451 HA SER 60 HA SER 60 -5.844 13.370 -2.679 452 HB2 SER 60 2HB SER 60 -5.537 15.203 -5.080 453 HB3 SER 60 3HB SER 60 -7.027 14.404 -4.576 454 HG SER 60 HG SER 60 -6.516 16.720 -3.882 455 H GLN 61 H GLN 61 -3.517 13.646 -5.340 456 HA GLN 61 HA GLN 61 -4.383 11.452 -6.886 457 HB2 GLN 61 2HB GLN 61 -2.897 13.183 -7.760 458 HB3 GLN 61 3HB GLN 61 -1.649 12.734 -6.615 459 HG2 GLN 61 2HG GLN 61 -2.648 10.772 -8.651 460 HG3 GLN 61 3HG GLN 61 -1.443 11.984 -9.074 461 HE21 GLN 61 1HE2 GLN 61 -1.152 9.124 -9.077 462 HE22 GLN 61 2HE2 GLN 61 0.124 8.748 -7.977 463 H LEU 62 H LEU 62 -2.036 11.697 -4.240 464 HA LEU 62 HA LEU 62 -1.089 9.056 -4.264 465 HB2 LEU 62 2HB LEU 62 -1.427 10.973 -1.957 466 HB3 LEU 62 3HB LEU 62 -0.537 9.465 -1.857 467 HG LEU 62 HG LEU 62 0.170 11.754 -3.704 468 HD11 LEU 62 1HD1 LEU 62 0.510 12.377 -1.373 469 HD12 LEU 62 2HD1 LEU 62 2.053 12.145 -2.195 470 HD13 LEU 62 3HD1 LEU 62 1.442 10.903 -1.103 471 HD21 LEU 62 3HD2 LEU 62 2.257 10.517 -4.039 472 HD22 LEU 62 1HD2 LEU 62 0.860 9.582 -4.568 473 HD23 LEU 62 2HD2 LEU 62 1.643 9.206 -3.032 474 H VAL 63 H VAL 63 -3.747 10.465 -2.334 475 HA VAL 63 HA VAL 63 -4.575 8.072 -1.103 476 HB VAL 63 HB VAL 63 -6.270 10.490 -1.780 477 HG11 VAL 63 1HG1 VAL 63 -7.701 9.760 0.080 478 HG12 VAL 63 2HG1 VAL 63 -6.704 8.318 0.283 479 HG13 VAL 63 3HG1 VAL 63 -7.636 8.544 -1.198 480 HG21 VAL 63 3HG2 VAL 63 -4.701 9.861 0.728 481 HG22 VAL 63 1HG2 VAL 63 -5.752 11.259 0.486 482 HG23 VAL 63 2HG2 VAL 63 -4.282 11.083 -0.474 483 H ASP 64 H ASP 64 -5.677 9.629 -4.108 484 HA ASP 64 HA ASP 64 -7.672 7.819 -4.835 485 HB2 ASP 64 2HB ASP 64 -7.295 9.984 -5.957 486 HB3 ASP 64 3HB ASP 64 -5.804 9.363 -6.655 487 H THR 65 H THR 65 -4.219 7.800 -5.741 488 HA THR 65 HA THR 65 -4.232 5.374 -7.162 489 HB THR 65 HB THR 65 -1.932 6.573 -5.586 490 HG1 THR 65 HG1 THR 65 -2.226 8.068 -7.093 491 HG21 THR 65 3HG2 THR 65 -1.526 4.228 -6.180 492 HG22 THR 65 1HG2 THR 65 -0.490 5.305 -7.116 493 HG23 THR 65 2HG2 THR 65 -1.913 4.581 -7.865 494 H GLY 66 H GLY 66 -3.817 6.037 -3.713 495 HA2 GLY 66 2HA GLY 66 -3.091 3.436 -2.894 496 HA3 GLY 66 3HA GLY 66 -3.827 4.660 -1.876 497 H HIS 67 H HIS 67 -6.231 4.785 -3.670 498 HA HIS 67 HA HIS 67 -7.869 3.009 -2.252 499 HB2 HIS 67 2HB HIS 67 -8.375 4.439 -4.867 500 HB3 HIS 67 3HB HIS 67 -9.613 3.552 -3.981 501 HD1 HIS 67 HD1 HIS 67 -9.559 6.684 -4.584 502 HD2 HIS 67 HD2 HIS 67 -8.645 4.828 -0.983 503 HE1 HIS 67 HE1 HIS 67 -9.931 8.428 -2.819 504 HE2 HIS 67 HE2 HIS 67 -9.591 7.212 -0.647 505 H GLN 68 H GLN 68 -6.640 2.687 -5.617 506 HA GLN 68 HA GLN 68 -7.893 0.202 -6.108 507 HB2 GLN 68 2HB GLN 68 -6.446 -0.039 -8.022 508 HB3 GLN 68 3HB GLN 68 -6.955 1.638 -7.906 509 HG2 GLN 68 2HG GLN 68 -4.800 2.263 -6.987 510 HG3 GLN 68 3HG GLN 68 -4.285 0.578 -6.989 511 HE21 GLN 68 1HE2 GLN 68 -3.080 2.858 -8.326 512 HE22 GLN 68 2HE2 GLN 68 -3.053 2.474 -10.008 513 H LEU 69 H LEU 69 -4.837 1.010 -4.548 514 HA LEU 69 HA LEU 69 -3.712 -1.558 -4.459 515 HB2 LEU 69 2HB LEU 69 -3.386 0.933 -2.853 516 HB3 LEU 69 3HB LEU 69 -2.769 -0.553 -2.159 517 HG LEU 69 HG LEU 69 -1.011 0.672 -3.336 518 HD11 LEU 69 1HD1 LEU 69 -0.894 -1.771 -3.245 519 HD12 LEU 69 2HD1 LEU 69 -0.177 -1.146 -4.729 520 HD13 LEU 69 3HD1 LEU 69 -1.782 -1.876 -4.766 521 HD21 LEU 69 3HD2 LEU 69 -2.736 0.307 -5.791 522 HD22 LEU 69 1HD2 LEU 69 -1.071 0.892 -5.787 523 HD23 LEU 69 2HD2 LEU 69 -2.338 1.833 -5.000 524 H LEU 70 H LEU 70 -6.012 0.008 -2.231 525 HA LEU 70 HA LEU 70 -6.158 -2.081 -0.359 526 HB2 LEU 70 2HB LEU 70 -7.933 0.188 -1.113 527 HB3 LEU 70 3HB LEU 70 -8.644 -1.102 -0.164 528 HG LEU 70 HG LEU 70 -7.877 0.739 1.256 529 HD11 LEU 70 1HD1 LEU 70 -6.261 -1.790 1.593 530 HD12 LEU 70 2HD1 LEU 70 -7.901 -1.508 2.179 531 HD13 LEU 70 3HD1 LEU 70 -6.557 -0.584 2.846 532 HD21 LEU 70 3HD2 LEU 70 -6.026 1.544 -0.136 533 HD22 LEU 70 1HD2 LEU 70 -5.105 0.086 0.240 534 HD23 LEU 70 2HD2 LEU 70 -5.504 1.234 1.519 535 H ASP 71 H ASP 71 -7.926 -1.615 -3.396 536 HA ASP 71 HA ASP 71 -9.668 -3.845 -3.058 537 HB2 ASP 71 2HB ASP 71 -10.185 -1.991 -4.592 538 HB3 ASP 71 3HB ASP 71 -8.807 -2.430 -5.598 539 H TYR 72 H TYR 72 -6.739 -3.428 -5.076 540 HA TYR 72 HA TYR 72 -6.466 -6.054 -5.961 541 HB2 TYR 72 2HB TYR 72 -4.480 -3.849 -5.455 542 HB3 TYR 72 3HB TYR 72 -3.930 -5.435 -5.984 543 HD1 TYR 72 HD1 TYR 72 -6.793 -3.208 -6.987 544 HD2 TYR 72 HD2 TYR 72 -3.352 -5.405 -8.216 545 HE1 TYR 72 HE1 TYR 72 -7.235 -2.584 -9.324 546 HE2 TYR 72 HE2 TYR 72 -3.790 -4.788 -10.554 547 HH TYR 72 HH TYR 72 -6.067 -2.390 -11.446 548 H CYS 73 H CYS 73 -5.122 -4.566 -3.022 549 HA CYS 73 HA CYS 73 -3.753 -6.842 -2.075 550 HB2 CYS 73 2HB CYS 73 -4.846 -4.437 -0.602 551 HB3 CYS 73 3HB CYS 73 -3.847 -5.668 0.162 552 HG CYS 73 HG CYS 73 -2.963 -3.113 -1.784 553 H SER 74 H SER 74 -7.047 -5.674 -1.429 554 HA SER 74 HA SER 74 -7.707 -7.495 0.606 555 HB2 SER 74 2HB SER 74 -9.027 -5.442 -0.059 556 HB3 SER 74 3HB SER 74 -9.657 -6.371 -1.419 557 HG SER 74 HG SER 74 -10.841 -7.568 -0.085 558 H GLY 75 H GLY 75 -7.773 -7.836 -2.896 559 HA2 GLY 75 2HA GLY 75 -9.073 -10.439 -2.776 560 HA3 GLY 75 3HA GLY 75 -8.517 -9.612 -4.222 561 H TYR 76 H TYR 76 -5.851 -9.229 -3.741 562 HA TYR 76 HA TYR 76 -4.774 -11.682 -4.538 563 HB2 TYR 76 2HB TYR 76 -3.804 -9.430 -5.027 564 HB3 TYR 76 3HB TYR 76 -3.250 -9.342 -3.360 565 HD1 TYR 76 HD2 TYR 76 -2.734 -10.937 -6.627 566 HD2 TYR 76 HD1 TYR 76 -1.341 -10.682 -2.608 567 HE1 TYR 76 HE2 TYR 76 -0.661 -12.084 -7.278 568 HE2 TYR 76 HE1 TYR 76 0.736 -11.828 -3.254 569 HH TYR 76 HH TYR 76 1.471 -13.421 -5.089 570 H VAL 77 H VAL 77 -4.855 -10.179 -1.324 571 HA VAL 77 HA VAL 77 -2.964 -11.746 -0.020 572 HB VAL 77 HB VAL 77 -4.031 -9.733 0.959 573 HG11 VAL 77 1HG1 VAL 77 -6.180 -9.935 2.140 574 HG12 VAL 77 2HG1 VAL 77 -6.382 -11.562 1.486 575 HG13 VAL 77 3HG1 VAL 77 -6.358 -10.171 0.401 576 HG21 VAL 77 3HG2 VAL 77 -4.053 -10.544 3.277 577 HG22 VAL 77 1HG2 VAL 77 -2.717 -11.235 2.361 578 HG23 VAL 77 2HG2 VAL 77 -4.151 -12.206 2.697 579 H ASP 78 H ASP 78 -6.232 -12.553 -0.924 580 HA ASP 78 HA ASP 78 -6.724 -14.741 0.764 581 HB2 ASP 78 2HB ASP 78 -8.441 -13.630 -0.618 582 HB3 ASP 78 3HB ASP 78 -7.676 -14.251 -2.075 583 H CYS 79 H CYS 79 -4.739 -14.460 -2.103 584 HA CYS 79 HA CYS 79 -4.525 -17.384 -2.362 585 HB2 CYS 79 2HB CYS 79 -3.664 -15.187 -4.254 586 HB3 CYS 79 3HB CYS 79 -3.494 -16.911 -4.564 587 HG CYS 79 HG CYS 79 -5.736 -15.369 -5.835 588 H ILE 80 H ILE 80 -2.892 -15.194 -0.584 589 HA ILE 80 HA ILE 80 -0.185 -15.713 -1.403 590 HB ILE 80 HB ILE 80 -1.228 -14.532 1.181 591 HG12 ILE 80 2HG1 ILE 80 -0.066 -13.250 -1.313 592 HG13 ILE 80 3HG1 ILE 80 -1.745 -13.167 -0.789 593 HG21 ILE 80 1HG2 ILE 80 1.604 -14.587 0.117 594 HG22 ILE 80 2HG2 ILE 80 1.003 -15.519 1.489 595 HG23 ILE 80 3HG2 ILE 80 1.060 -13.759 1.577 596 HD11 ILE 80 3HD1 ILE 80 -1.062 -11.905 1.188 597 HD12 ILE 80 1HD1 ILE 80 -0.563 -11.108 -0.303 598 HD13 ILE 80 2HD1 ILE 80 0.620 -11.991 0.662 599 HA PRO 81 HA PRO 81 -0.067 -19.817 0.449 600 HB2 PRO 81 2HB PRO 81 2.591 -20.292 -0.079 601 HB3 PRO 81 3HB PRO 81 1.289 -20.509 -1.254 602 HG2 PRO 81 2HG PRO 81 3.170 -18.200 -0.913 603 HG3 PRO 81 3HG PRO 81 2.610 -18.980 -2.405 604 HD2 PRO 81 2HD PRO 81 1.574 -16.643 -1.548 605 HD3 PRO 81 3HD PRO 81 0.581 -17.857 -2.381 606 H GLN 82 H GLN 82 3.060 -18.113 1.029 607 HA GLN 82 HA GLN 82 3.417 -19.116 3.620 608 HB2 GLN 82 2HB GLN 82 4.494 -16.570 2.385 609 HB3 GLN 82 3HB GLN 82 4.991 -17.169 3.958 610 HG2 GLN 82 2HG GLN 82 6.677 -17.867 2.514 611 HG3 GLN 82 3HG GLN 82 5.687 -19.304 2.746 612 HE21 GLN 82 1HE2 GLN 82 6.648 -16.814 0.506 613 HE22 GLN 82 2HE2 GLN 82 6.035 -17.592 -0.913 614 H THR 83 H THR 83 2.085 -18.845 5.308 615 HA THR 83 HA THR 83 0.171 -16.786 5.531 616 HB THR 83 HB THR 83 1.260 -18.446 7.820 617 HG1 THR 83 HG1 THR 83 -0.604 -19.792 7.273 618 HG21 THR 83 3HG2 THR 83 -0.969 -18.043 8.806 619 HG22 THR 83 1HG2 THR 83 -1.382 -17.007 7.437 620 HG23 THR 83 2HG2 THR 83 -0.093 -16.534 8.547 621 H ARG 84 H ARG 84 3.429 -17.090 6.877 622 HA ARG 84 HA ARG 84 3.485 -14.832 8.503 623 HB2 ARG 84 2HB ARG 84 5.654 -16.022 6.761 624 HB3 ARG 84 3HB ARG 84 5.947 -14.748 7.936 625 HG2 ARG 84 2HG ARG 84 4.825 -17.469 8.599 626 HG3 ARG 84 3HG ARG 84 6.518 -17.001 8.777 627 HD2 ARG 84 2HD ARG 84 4.173 -15.714 10.190 628 HD3 ARG 84 3HD ARG 84 5.308 -16.856 10.911 629 HE ARG 84 HE ARG 84 6.944 -14.924 10.035 630 HH11 ARG 84 1HH1 ARG 84 4.058 -14.784 11.929 631 HH12 ARG 84 2HH1 ARG 84 4.554 -13.345 12.752 632 HH21 ARG 84 1HH2 ARG 84 7.553 -13.086 11.102 633 HH22 ARG 84 2HH2 ARG 84 6.500 -12.403 12.298 634 H ASN 85 H ASN 85 3.915 -15.059 4.988 635 HA ASN 85 HA ASN 85 4.303 -12.247 4.607 636 HB2 ASN 85 2HB ASN 85 3.545 -14.439 2.666 637 HB3 ASN 85 3HB ASN 85 3.877 -12.774 2.193 638 HD21 ASN 85 1HD2 ASN 85 5.268 -15.147 1.395 639 HD22 ASN 85 2HD2 ASN 85 6.904 -14.943 1.892 640 H LYS 86 H LYS 86 1.503 -14.424 4.366 641 HA LYS 86 HA LYS 86 -0.341 -12.556 3.373 642 HB2 LYS 86 2HB LYS 86 -0.743 -14.997 3.433 643 HB3 LYS 86 3HB LYS 86 -0.894 -14.924 5.185 644 HG2 LYS 86 2HG LYS 86 -2.907 -13.690 5.057 645 HG3 LYS 86 3HG LYS 86 -2.675 -13.341 3.347 646 HD2 LYS 86 2HD LYS 86 -4.373 -15.013 3.530 647 HD3 LYS 86 3HD LYS 86 -2.930 -15.786 2.883 648 HE2 LYS 86 2HE LYS 86 -3.552 -15.843 5.820 649 HE3 LYS 86 3HE LYS 86 -4.270 -17.007 4.711 650 HZ1 LYS 86 3HZ LYS 86 -1.370 -16.596 5.172 651 HZ2 LYS 86 1HZ LYS 86 -2.030 -17.675 4.052 652 HZ3 LYS 86 2HZ LYS 86 -2.291 -17.907 5.706 653 H PHE 87 H PHE 87 0.675 -13.258 6.673 654 HA PHE 87 HA PHE 87 -1.199 -11.512 7.938 655 HB2 PHE 87 2HB PHE 87 -0.060 -13.436 9.080 656 HB3 PHE 87 3HB PHE 87 1.446 -12.524 9.029 657 HD1 PHE 87 HD2 PHE 87 -1.903 -12.728 10.530 658 HD2 PHE 87 HD1 PHE 87 1.829 -10.670 10.525 659 HE1 PHE 87 HE2 PHE 87 -2.500 -11.636 12.655 660 HE2 PHE 87 HE1 PHE 87 1.234 -9.577 12.646 661 HZ PHE 87 HZ PHE 87 -0.932 -10.059 13.713 662 H ALA 88 H ALA 88 2.314 -11.231 7.273 663 HA ALA 88 HA ALA 88 2.695 -8.597 8.086 664 HB1 ALA 88 3HB ALA 88 4.666 -8.589 6.663 665 HB2 ALA 88 1HB ALA 88 4.070 -10.009 5.803 666 HB3 ALA 88 2HB ALA 88 4.518 -10.133 7.504 667 H PHE 89 H PHE 89 1.495 -9.849 5.038 668 HA PHE 89 HA PHE 89 1.418 -7.479 3.548 669 HB2 PHE 89 2HB PHE 89 1.078 -9.804 2.676 670 HB3 PHE 89 3HB PHE 89 -0.519 -9.807 3.412 671 HD1 PHE 89 HD2 PHE 89 1.574 -8.367 0.756 672 HD2 PHE 89 HD1 PHE 89 -2.347 -8.629 2.404 673 HE1 PHE 89 HE2 PHE 89 0.651 -7.385 -1.296 674 HE2 PHE 89 HE1 PHE 89 -3.273 -7.652 0.350 675 HZ PHE 89 HZ PHE 89 -1.775 -7.026 -1.502 676 H ARG 90 H ARG 90 -1.175 -9.029 5.479 677 HA ARG 90 HA ARG 90 -3.090 -7.008 5.108 678 HB2 ARG 90 2HB ARG 90 -2.767 -9.094 7.259 679 HB3 ARG 90 3HB ARG 90 -4.104 -7.956 7.268 680 HG2 ARG 90 2HG ARG 90 -3.492 -10.028 5.170 681 HG3 ARG 90 3HG ARG 90 -4.856 -9.999 6.287 682 HD2 ARG 90 2HD ARG 90 -4.327 -8.169 3.948 683 HD3 ARG 90 3HD ARG 90 -5.683 -9.272 4.181 684 HE ARG 90 HE ARG 90 -5.607 -7.324 6.240 685 HH11 ARG 90 1HH1 ARG 90 -6.511 -7.786 2.951 686 HH12 ARG 90 2HH1 ARG 90 -7.630 -6.469 2.957 687 HH21 ARG 90 1HH2 ARG 90 -7.008 -5.587 6.217 688 HH22 ARG 90 2HH2 ARG 90 -7.885 -5.222 4.770 689 H GLU 91 H GLU 91 -0.749 -7.427 7.790 690 HA GLU 91 HA GLU 91 -1.714 -5.267 9.322 691 HB2 GLU 91 2HB GLU 91 0.365 -5.368 10.576 692 HB3 GLU 91 3HB GLU 91 -0.224 -6.994 10.263 693 HG2 GLU 91 2HG GLU 91 1.411 -7.287 8.505 694 HG3 GLU 91 3HG GLU 91 1.957 -5.623 8.697 695 H ALA 92 H ALA 92 0.810 -5.405 6.824 696 HA ALA 92 HA ALA 92 1.599 -2.695 6.972 697 HB1 ALA 92 3HB ALA 92 2.566 -3.040 4.754 698 HB2 ALA 92 1HB ALA 92 1.668 -4.549 4.586 699 HB3 ALA 92 2HB ALA 92 2.923 -4.402 5.818 700 H VAL 93 H VAL 93 -0.872 -4.323 4.982 701 HA VAL 93 HA VAL 93 -1.773 -2.084 3.543 702 HB VAL 93 HB VAL 93 -3.292 -4.552 4.424 703 HG11 VAL 93 1HG1 VAL 93 -4.881 -2.755 3.963 704 HG12 VAL 93 2HG1 VAL 93 -4.947 -3.981 2.697 705 HG13 VAL 93 3HG1 VAL 93 -4.110 -2.456 2.404 706 HG21 VAL 93 3HG2 VAL 93 -1.380 -4.963 2.925 707 HG22 VAL 93 1HG2 VAL 93 -2.055 -3.826 1.761 708 HG23 VAL 93 2HG2 VAL 93 -2.915 -5.321 2.137 709 H SER 94 H SER 94 -2.702 -3.295 6.750 710 HA SER 94 HA SER 94 -4.811 -1.545 7.293 711 HB2 SER 94 2HB SER 94 -2.787 -2.712 9.226 712 HB3 SER 94 3HB SER 94 -4.296 -1.932 9.699 713 HG SER 94 HG SER 94 -4.681 -4.118 9.617 714 H LYS 95 H LYS 95 -1.315 -1.090 7.900 715 HA LYS 95 HA LYS 95 -1.572 1.553 8.903 716 HB2 LYS 95 2HB LYS 95 0.743 0.047 7.704 717 HB3 LYS 95 3HB LYS 95 0.893 1.748 8.112 718 HG2 LYS 95 2HG LYS 95 1.780 0.477 9.918 719 HG3 LYS 95 3HG LYS 95 0.257 1.186 10.454 720 HD2 LYS 95 2HD LYS 95 -0.882 -0.935 10.107 721 HD3 LYS 95 3HD LYS 95 0.602 -1.650 9.471 722 HE2 LYS 95 2HE LYS 95 0.135 -0.654 12.283 723 HE3 LYS 95 3HE LYS 95 0.279 -2.336 11.768 724 HZ1 LYS 95 3HZ LYS 95 2.565 -1.846 11.061 725 HZ2 LYS 95 1HZ LYS 95 2.338 -1.591 12.714 726 HZ3 LYS 95 2HZ LYS 95 2.416 -0.274 11.659 727 H LEU 96 H LEU 96 -1.257 0.264 5.638 728 HA LEU 96 HA LEU 96 -0.766 2.669 4.272 729 HB2 LEU 96 2HB LEU 96 -0.547 0.444 3.246 730 HB3 LEU 96 3HB LEU 96 -2.283 0.225 3.331 731 HG LEU 96 HG LEU 96 -2.565 2.148 1.763 732 HD11 LEU 96 1HD1 LEU 96 0.442 1.999 1.538 733 HD12 LEU 96 2HD1 LEU 96 -0.486 3.326 2.238 734 HD13 LEU 96 3HD1 LEU 96 -0.627 2.963 0.519 735 HD21 LEU 96 3HD2 LEU 96 -0.828 -0.101 0.740 736 HD22 LEU 96 1HD2 LEU 96 -1.856 0.945 -0.241 737 HD23 LEU 96 2HD2 LEU 96 -2.581 -0.150 0.936 738 H GLU 97 H GLU 97 -3.894 1.028 4.888 739 HA GLU 97 HA GLU 97 -5.469 3.050 3.680 740 HB2 GLU 97 2HB GLU 97 -7.386 1.940 4.837 741 HB3 GLU 97 3HB GLU 97 -6.384 0.852 3.890 742 HG2 GLU 97 2HG GLU 97 -5.268 0.108 5.948 743 HG3 GLU 97 3HG GLU 97 -6.310 1.177 6.884 744 H LEU 98 H LEU 98 -4.655 2.458 7.121 745 HA LEU 98 HA LEU 98 -6.100 4.613 8.200 746 HB2 LEU 98 2HB LEU 98 -3.766 2.996 9.104 747 HB3 LEU 98 3HB LEU 98 -4.055 4.514 9.934 748 HG LEU 98 HG LEU 98 -5.071 2.611 11.117 749 HD11 LEU 98 1HD1 LEU 98 -7.109 4.500 9.934 750 HD12 LEU 98 2HD1 LEU 98 -6.086 4.817 11.336 751 HD13 LEU 98 3HD1 LEU 98 -7.308 3.549 11.407 752 HD21 LEU 98 3HD2 LEU 98 -5.544 1.163 9.214 753 HD22 LEU 98 1HD2 LEU 98 -6.770 2.294 8.639 754 HD23 LEU 98 2HD2 LEU 98 -7.002 1.439 10.164 755 H SER 99 H SER 99 -2.776 4.517 6.930 756 HA SER 99 HA SER 99 -2.214 7.245 7.487 757 HB2 SER 99 2HB SER 99 -0.945 5.359 5.484 758 HB3 SER 99 3HB SER 99 -0.322 6.962 5.875 759 HG SER 99 HG SER 99 -0.239 4.607 7.340 760 H LEU 100 H LEU 100 -3.696 5.626 4.712 761 HA LEU 100 HA LEU 100 -3.693 7.871 2.975 762 HB2 LEU 100 2HB LEU 100 -5.438 5.417 3.094 763 HB3 LEU 100 3HB LEU 100 -5.622 6.640 1.852 764 HG LEU 100 HG LEU 100 -3.098 5.033 2.326 765 HD11 LEU 100 1HD1 LEU 100 -4.914 3.625 1.492 766 HD12 LEU 100 2HD1 LEU 100 -3.676 3.866 0.260 767 HD13 LEU 100 3HD1 LEU 100 -5.194 4.760 0.170 768 HD21 LEU 100 3HD2 LEU 100 -2.644 7.230 1.377 769 HD22 LEU 100 1HD2 LEU 100 -3.850 6.952 0.119 770 HD23 LEU 100 2HD2 LEU 100 -2.387 5.969 0.172 771 H GLN 101 H GLN 101 -6.093 6.732 5.347 772 HA GLN 101 HA GLN 101 -8.005 8.749 4.668 773 HB2 GLN 101 2HB GLN 101 -9.199 8.038 6.720 774 HB3 GLN 101 3HB GLN 101 -8.811 6.706 5.642 775 HG2 GLN 101 2HG GLN 101 -6.903 6.126 7.086 776 HG3 GLN 101 3HG GLN 101 -7.354 7.432 8.180 777 HE21 GLN 101 1HE2 GLN 101 -9.183 7.201 9.463 778 HE22 GLN 101 2HE2 GLN 101 -9.962 5.679 9.701 779 H GLU 102 H GLU 102 -5.429 8.568 7.129 780 HA GLU 102 HA GLU 102 -6.196 11.092 8.299 781 HB2 GLU 102 2HB GLU 102 -4.211 10.936 9.648 782 HB3 GLU 102 3HB GLU 102 -4.979 9.357 9.596 783 HG2 GLU 102 2HG GLU 102 -3.342 8.596 7.966 784 HG3 GLU 102 3HG GLU 102 -2.590 10.191 7.957 785 H LEU 103 H LEU 103 -4.051 10.092 5.708 786 HA LEU 103 HA LEU 103 -2.537 12.437 5.415 787 HB2 LEU 103 2HB LEU 103 -2.056 10.345 4.206 788 HB3 LEU 103 3HB LEU 103 -3.513 10.558 3.253 789 HG LEU 103 HG LEU 103 -2.530 12.684 2.343 790 HD11 LEU 103 1HD1 LEU 103 -0.129 13.059 2.586 791 HD12 LEU 103 2HD1 LEU 103 -0.029 11.718 3.727 792 HD13 LEU 103 3HD1 LEU 103 -0.957 13.161 4.139 793 HD21 LEU 103 3HD2 LEU 103 -1.018 11.582 0.786 794 HD22 LEU 103 1HD2 LEU 103 -2.444 10.589 1.080 795 HD23 LEU 103 2HD2 LEU 103 -0.912 10.184 1.856 796 H GLN 104 H GLN 104 -5.537 11.512 3.714 797 HA GLN 104 HA GLN 104 -5.805 13.809 2.159 798 HB2 GLN 104 2HB GLN 104 -8.200 13.135 1.943 799 HB3 GLN 104 3HB GLN 104 -7.056 11.832 1.647 800 HG2 GLN 104 2HG GLN 104 -7.435 11.088 4.018 801 HG3 GLN 104 3HG GLN 104 -8.737 12.273 4.108 802 HE21 GLN 104 1HE2 GLN 104 -7.691 9.278 2.688 803 HE22 GLN 104 2HE2 GLN 104 -9.241 8.783 2.105 804 H VAL 105 H VAL 105 -6.347 13.517 5.546 805 HA VAL 105 HA VAL 105 -7.904 16.020 5.578 806 HB VAL 105 HB VAL 105 -8.553 15.499 7.865 807 HG11 VAL 105 1HG1 VAL 105 -9.952 14.620 6.097 808 HG12 VAL 105 2HG1 VAL 105 -9.900 13.478 7.440 809 HG13 VAL 105 3HG1 VAL 105 -8.953 13.170 5.984 810 HG21 VAL 105 3HG2 VAL 105 -6.898 12.981 7.570 811 HG22 VAL 105 1HG2 VAL 105 -7.949 13.375 8.931 812 HG23 VAL 105 2HG2 VAL 105 -6.518 14.354 8.611 813 H SER 106 H SER 106 -4.876 14.598 6.713 814 HA SER 106 HA SER 106 -4.277 16.914 8.387 815 HB2 SER 106 2HB SER 106 -2.706 14.372 7.902 816 HB3 SER 106 3HB SER 106 -2.221 15.651 9.014 817 HG SER 106 HG SER 106 -3.466 13.749 9.857 818 H SER 107 H SER 107 -3.570 15.926 5.167 819 HA SER 107 HA SER 107 -0.998 16.937 4.765 820 HB2 SER 107 2HB SER 107 -3.334 16.803 2.844 821 HB3 SER 107 3HB SER 107 -1.698 17.241 2.354 822 HG SER 107 HG SER 107 -2.734 14.777 3.130 823 H ALA 108 H ALA 108 -4.038 18.646 3.963 824 HA ALA 108 HA ALA 108 -4.638 20.830 4.019 825 HB1 ALA 108 3HB ALA 108 -3.601 20.872 6.258 826 HB2 ALA 108 1HB ALA 108 -3.491 22.421 5.419 827 HB3 ALA 108 2HB ALA 108 -2.078 21.368 5.519 828 H ALA 109 H ALA 109 -1.150 20.537 3.304 829 HA ALA 109 HA ALA 109 -0.998 22.863 1.698 830 HB1 ALA 109 3HB ALA 109 0.857 20.487 1.759 831 HB2 ALA 109 1HB ALA 109 0.928 21.872 2.850 832 HB3 ALA 109 2HB ALA 109 1.230 22.091 1.126 833 H ALA 110 H ALA 110 -2.712 20.198 0.934 834 HA ALA 110 HA ALA 110 -3.738 19.514 -0.969 835 HB1 ALA 110 3HB ALA 110 -2.177 21.680 -2.378 836 HB2 ALA 110 1HB ALA 110 -3.768 21.866 -1.640 837 HB3 ALA 110 2HB ALA 110 -3.560 20.798 -3.028 838 H GLY 111 H GLY 111 -0.352 20.288 -1.941 839 HA2 GLY 111 2HA GLY 111 0.235 17.490 -2.310 840 HA3 GLY 111 3HA GLY 111 0.039 18.351 -3.825 841 H VAL 112 H VAL 112 1.959 18.170 -0.864 842 HA VAL 112 HA VAL 112 4.227 19.328 -2.364 843 HB VAL 112 HB VAL 112 3.657 19.753 0.586 844 HG11 VAL 112 1HG1 VAL 112 6.051 19.594 0.160 845 HG12 VAL 112 2HG1 VAL 112 5.608 21.258 0.539 846 HG13 VAL 112 3HG1 VAL 112 5.922 20.789 -1.132 847 HG21 VAL 112 3HG2 VAL 112 2.175 21.090 -0.819 848 HG22 VAL 112 1HG2 VAL 112 3.560 21.714 -1.717 849 HG23 VAL 112 2HG2 VAL 112 3.360 22.117 -0.012 850 HA PRO 113 HA PRO 113 5.989 15.312 -1.552 851 HB2 PRO 113 2HB PRO 113 8.614 15.947 -2.105 852 HB3 PRO 113 3HB PRO 113 7.395 15.607 -3.336 853 HG2 PRO 113 2HG PRO 113 8.362 18.255 -2.310 854 HG3 PRO 113 3HG PRO 113 8.047 17.752 -3.984 855 HD2 PRO 113 2HD PRO 113 6.282 19.249 -2.627 856 HD3 PRO 113 3HD PRO 113 5.742 17.980 -3.746 857 H GLY 114 H GLY 114 6.419 14.419 0.354 858 HA2 GLY 114 2HA GLY 114 7.241 14.034 2.454 859 HA3 GLY 114 3HA GLY 114 8.630 14.986 1.969 860 H THR 115 H THR 115 5.512 16.545 1.986 861 HA THR 115 HA THR 115 6.465 18.494 3.844 862 HB THR 115 HB THR 115 4.888 19.069 2.023 863 HG1 THR 115 HG1 THR 115 3.996 19.660 4.678 864 HG21 THR 115 3HG2 THR 115 3.391 17.136 2.152 865 HG22 THR 115 1HG2 THR 115 2.488 18.641 2.322 866 HG23 THR 115 2HG2 THR 115 2.836 17.658 3.743 867 H ASN 116 H ASN 116 4.561 15.605 4.250 868 HA ASN 116 HA ASN 116 4.395 16.195 7.129 869 HB2 ASN 116 2HB ASN 116 2.146 15.151 7.233 870 HB3 ASN 116 3HB ASN 116 2.166 16.623 6.267 871 HD21 ASN 116 1HD2 ASN 116 1.615 16.513 4.144 872 HD22 ASN 116 2HD2 ASN 116 1.093 15.067 3.362 873 HA PRO 117 HA PRO 117 6.275 12.256 7.828 874 HB2 PRO 117 2HB PRO 117 4.291 11.941 10.043 875 HB3 PRO 117 3HB PRO 117 6.056 11.823 10.085 876 HG2 PRO 117 2HG PRO 117 4.843 13.974 11.052 877 HG3 PRO 117 3HG PRO 117 6.337 14.137 10.108 878 HD2 PRO 117 2HD PRO 117 3.500 14.637 9.267 879 HD3 PRO 117 3HD PRO 117 4.969 15.560 8.882 880 H VAL 118 H VAL 118 2.763 12.412 7.594 881 HA VAL 118 HA VAL 118 2.133 9.691 7.543 882 HB VAL 118 HB VAL 118 0.774 11.846 5.901 883 HG11 VAL 118 1HG1 VAL 118 0.116 9.578 5.270 884 HG12 VAL 118 2HG1 VAL 118 -1.209 10.416 6.075 885 HG13 VAL 118 3HG1 VAL 118 -0.269 9.207 6.951 886 HG21 VAL 118 3HG2 VAL 118 0.243 10.987 8.754 887 HG22 VAL 118 1HG2 VAL 118 -0.734 12.126 7.823 888 HG23 VAL 118 2HG2 VAL 118 0.932 12.529 8.241 889 H LEU 119 H LEU 119 3.347 11.786 4.976 890 HA LEU 119 HA LEU 119 3.124 10.003 2.808 891 HB2 LEU 119 2HB LEU 119 5.219 12.126 3.329 892 HB3 LEU 119 3HB LEU 119 4.933 11.354 1.779 893 HG LEU 119 HG LEU 119 2.923 13.063 3.258 894 HD11 LEU 119 1HD1 LEU 119 3.329 14.721 1.500 895 HD12 LEU 119 2HD1 LEU 119 4.623 13.712 0.850 896 HD13 LEU 119 3HD1 LEU 119 4.773 14.415 2.462 897 HD21 LEU 119 3HD2 LEU 119 1.888 11.338 1.867 898 HD22 LEU 119 1HD2 LEU 119 2.831 11.885 0.479 899 HD23 LEU 119 2HD2 LEU 119 1.623 12.948 1.202 900 H ASN 120 H ASN 120 5.634 10.363 5.284 901 HA ASN 120 HA ASN 120 7.437 8.434 4.232 902 HB2 ASN 120 2HB ASN 120 8.133 10.096 5.909 903 HB3 ASN 120 3HB ASN 120 7.053 9.369 7.093 904 HD21 ASN 120 1HD2 ASN 120 8.694 8.880 8.527 905 HD22 ASN 120 2HD2 ASN 120 9.878 7.662 8.219 906 H ASN 121 H ASN 121 4.760 8.253 6.557 907 HA ASN 121 HA ASN 121 4.936 5.561 7.267 908 HB2 ASN 121 2HB ASN 121 2.414 7.190 6.866 909 HB3 ASN 121 3HB ASN 121 2.532 5.693 7.783 910 HD21 ASN 121 1HD2 ASN 121 1.631 8.228 8.721 911 HD22 ASN 121 2HD2 ASN 121 2.688 8.705 9.996 912 H LEU 122 H LEU 122 3.093 7.032 4.580 913 HA LEU 122 HA LEU 122 2.136 4.693 3.397 914 HB2 LEU 122 2HB LEU 122 2.947 7.310 2.130 915 HB3 LEU 122 3HB LEU 122 2.131 6.026 1.256 916 HG LEU 122 HG LEU 122 1.010 7.564 3.612 917 HD11 LEU 122 1HD1 LEU 122 0.269 7.572 0.685 918 HD12 LEU 122 2HD1 LEU 122 1.061 8.880 1.566 919 HD13 LEU 122 3HD1 LEU 122 -0.595 8.423 1.965 920 HD21 LEU 122 3HD2 LEU 122 0.232 5.247 3.641 921 HD22 LEU 122 1HD2 LEU 122 -0.241 5.371 1.945 922 HD23 LEU 122 2HD2 LEU 122 -1.071 6.335 3.167 923 H LEU 123 H LEU 123 5.175 6.436 2.705 924 HA LEU 123 HA LEU 123 6.206 4.775 0.739 925 HB2 LEU 123 2HB LEU 123 7.191 6.930 1.442 926 HB3 LEU 123 3HB LEU 123 7.733 6.188 2.935 927 HG LEU 123 HG LEU 123 9.207 4.679 1.637 928 HD11 LEU 123 1HD1 LEU 123 9.609 5.152 -0.745 929 HD12 LEU 123 2HD1 LEU 123 8.274 6.304 -0.734 930 HD13 LEU 123 3HD1 LEU 123 7.964 4.591 -0.448 931 HD21 LEU 123 3HD2 LEU 123 10.860 6.369 0.998 932 HD22 LEU 123 1HD2 LEU 123 10.097 6.768 2.537 933 HD23 LEU 123 2HD2 LEU 123 9.618 7.619 1.068 934 H SER 124 H SER 124 6.778 4.545 4.258 935 HA SER 124 HA SER 124 8.273 2.184 4.255 936 HB2 SER 124 2HB SER 124 8.081 3.660 6.218 937 HB3 SER 124 3HB SER 124 6.390 3.200 6.406 938 HG SER 124 HG SER 124 8.712 1.778 6.991 939 H CYS 125 H CYS 125 4.753 2.640 4.428 940 HA CYS 125 HA CYS 125 4.067 -0.069 4.875 941 HB2 CYS 125 2HB CYS 125 2.448 2.129 3.559 942 HB3 CYS 125 3HB CYS 125 1.801 0.580 4.091 943 HG CYS 125 HG CYS 125 3.355 2.605 6.340 944 H VAL 126 H VAL 126 4.198 1.812 1.845 945 HA VAL 126 HA VAL 126 3.412 -0.248 0.100 946 HB VAL 126 HB VAL 126 5.184 2.146 -0.455 947 HG11 VAL 126 1HG1 VAL 126 3.711 0.349 -2.394 948 HG12 VAL 126 2HG1 VAL 126 5.461 0.448 -2.193 949 HG13 VAL 126 3HG1 VAL 126 4.565 1.834 -2.815 950 HG21 VAL 126 3HG2 VAL 126 2.215 1.751 -0.856 951 HG22 VAL 126 1HG2 VAL 126 3.137 3.190 -1.287 952 HG23 VAL 126 2HG2 VAL 126 2.964 2.729 0.406 953 H GLN 127 H GLN 127 6.678 0.824 1.062 954 HA GLN 127 HA GLN 127 8.160 -1.047 -0.414 955 HB2 GLN 127 2HB GLN 127 8.800 0.202 2.272 956 HB3 GLN 127 3HB GLN 127 9.958 -0.659 1.265 957 HG2 GLN 127 2HG GLN 127 9.756 1.007 -0.472 958 HG3 GLN 127 3HG GLN 127 8.481 1.832 0.422 959 HE21 GLN 127 1HE2 GLN 127 11.032 2.871 -0.508 960 HE22 GLN 127 2HE2 GLN 127 11.848 3.456 0.897 961 H GLU 128 H GLU 128 6.747 -1.281 2.837 962 HA GLU 128 HA GLU 128 7.692 -3.837 3.527 963 HB2 GLU 128 2HB GLU 128 6.579 -2.196 5.065 964 HB3 GLU 128 3HB GLU 128 5.041 -2.586 4.308 965 HG2 GLU 128 2HG GLU 128 5.070 -3.852 6.266 966 HG3 GLU 128 3HG GLU 128 5.491 -4.996 4.995 967 H ILE 129 H ILE 129 4.526 -2.921 2.125 968 HA ILE 129 HA ILE 129 3.416 -5.448 1.840 969 HB ILE 129 HB ILE 129 3.039 -3.018 0.073 970 HG12 ILE 129 2HG1 ILE 129 1.369 -4.056 2.387 971 HG13 ILE 129 3HG1 ILE 129 2.492 -2.704 2.481 972 HG21 ILE 129 1HG2 ILE 129 2.298 -5.017 -1.107 973 HG22 ILE 129 2HG2 ILE 129 0.914 -4.040 -0.624 974 HG23 ILE 129 3HG2 ILE 129 1.323 -5.498 0.280 975 HD11 ILE 129 3HD1 ILE 129 0.016 -2.824 0.771 976 HD12 ILE 129 1HD1 ILE 129 1.138 -1.466 0.875 977 HD13 ILE 129 2HD1 ILE 129 0.198 -1.943 2.288 978 H SER 130 H SER 130 5.160 -3.610 -0.685 979 HA SER 130 HA SER 130 5.106 -5.582 -2.674 980 HB2 SER 130 2HB SER 130 6.997 -4.332 -3.705 981 HB3 SER 130 3HB SER 130 5.686 -3.272 -3.188 982 HG SER 130 HG SER 130 6.903 -2.521 -1.560 983 H ASP 131 H ASP 131 7.672 -4.872 -0.296 984 HA ASP 131 HA ASP 131 9.519 -6.801 -1.121 985 HB2 ASP 131 2HB ASP 131 9.840 -4.884 0.510 986 HB3 ASP 131 3HB ASP 131 9.091 -5.899 1.735 987 H VAL 132 H VAL 132 6.984 -7.042 1.379 988 HA VAL 132 HA VAL 132 7.450 -9.631 2.269 989 HB VAL 132 HB VAL 132 4.847 -8.107 2.039 990 HG11 VAL 132 1HG1 VAL 132 5.369 -10.708 3.487 991 HG12 VAL 132 2HG1 VAL 132 4.301 -10.469 2.103 992 HG13 VAL 132 3HG1 VAL 132 3.913 -9.724 3.653 993 HG21 VAL 132 3HG2 VAL 132 6.515 -7.122 3.534 994 HG22 VAL 132 1HG2 VAL 132 6.662 -8.654 4.397 995 HG23 VAL 132 2HG2 VAL 132 5.145 -7.753 4.446 996 H VAL 133 H VAL 133 5.416 -8.600 -0.482 997 HA VAL 133 HA VAL 133 4.447 -11.137 -1.222 998 HB VAL 133 HB VAL 133 5.017 -8.755 -3.012 999 HG11 VAL 133 1HG1 VAL 133 3.241 -11.157 -3.489 1000 HG12 VAL 133 2HG1 VAL 133 4.739 -10.779 -4.338 1001 HG13 VAL 133 3HG1 VAL 133 3.333 -9.732 -4.524 1002 HG21 VAL 133 3HG2 VAL 133 2.659 -8.197 -2.698 1003 HG22 VAL 133 1HG2 VAL 133 3.515 -8.219 -1.156 1004 HG23 VAL 133 2HG2 VAL 133 2.471 -9.568 -1.603 1005 H GLN 134 H GLN 134 7.524 -9.584 -1.836 1006 HA GLN 134 HA GLN 134 8.328 -11.327 -3.972 1007 HB2 GLN 134 2HB GLN 134 9.997 -9.478 -2.253 1008 HB3 GLN 134 3HB GLN 134 10.519 -10.237 -3.751 1009 HG2 GLN 134 2HG GLN 134 8.804 -8.995 -4.981 1010 HG3 GLN 134 3HG GLN 134 8.276 -8.241 -3.476 1011 HE21 GLN 134 1HE2 GLN 134 9.363 -7.047 -5.940 1012 HE22 GLN 134 2HE2 GLN 134 10.715 -6.107 -5.425 1013 H ARG 135 H ARG 135 8.114 -11.853 -0.656 1014 HA ARG 135 HA ARG 135 10.494 -13.511 -0.417 1015 HB2 ARG 135 2HB ARG 135 8.244 -13.109 1.573 1016 HB3 ARG 135 3HB ARG 135 9.807 -13.847 1.900 1017 HG2 ARG 135 2HG ARG 135 10.879 -11.665 1.313 1018 HG3 ARG 135 3HG ARG 135 9.263 -10.963 1.203 1019 HD2 ARG 135 2HD ARG 135 10.527 -12.213 3.648 1020 HD3 ARG 135 3HD ARG 135 10.243 -10.495 3.377 1021 HE ARG 135 HE ARG 135 7.821 -11.982 3.223 1022 HH11 ARG 135 1HH1 ARG 135 10.091 -10.691 5.470 1023 HH12 ARG 135 2HH1 ARG 135 8.927 -10.565 6.742 1024 HH21 ARG 135 1HH2 ARG 135 6.343 -11.837 4.882 1025 HH22 ARG 135 2HH2 ARG 135 6.833 -11.208 6.418 Start of MODEL 9 1 H1 MET 1 1H MET 1 -21.793 26.869 15.577 2 H2 MET 1 2H MET 1 -20.318 27.548 16.039 3 H3 MET 1 3H MET 1 -21.368 26.937 17.212 4 HA MET 1 HA MET 1 -19.566 25.411 16.877 5 HB2 MET 1 2HB MET 1 -22.182 24.427 15.702 6 HB3 MET 1 3HB MET 1 -20.886 23.388 16.283 7 HG2 MET 1 2HG MET 1 -22.660 23.576 17.927 8 HG3 MET 1 3HG MET 1 -21.161 24.277 18.533 9 HE1 MET 1 3HE MET 1 -22.492 25.483 20.473 10 HE2 MET 1 1HE MET 1 -24.007 24.799 19.884 11 HE3 MET 1 2HE MET 1 -23.887 26.527 20.206 12 H GLY 2 H GLY 2 -18.090 24.436 15.558 13 HA2 GLY 2 2HA GLY 2 -18.403 24.912 12.644 14 HA3 GLY 2 3HA GLY 2 -16.870 25.020 13.491 15 H HIS 3 H HIS 3 -19.407 22.766 12.466 16 HA HIS 3 HA HIS 3 -17.500 20.532 12.708 17 HB2 HIS 3 2HB HIS 3 -20.489 20.515 12.214 18 HB3 HIS 3 3HB HIS 3 -19.479 19.078 12.339 19 HD1 HIS 3 HD1 HIS 3 -21.427 21.409 14.342 20 HD2 HIS 3 HD2 HIS 3 -18.286 18.767 14.996 21 HE1 HIS 3 HE1 HIS 3 -21.340 21.067 16.830 22 HE2 HIS 3 HE2 HIS 3 -19.316 19.624 17.205 23 H HIS 4 H HIS 4 -16.226 20.484 10.929 24 HA HIS 4 HA HIS 4 -17.530 20.681 8.288 25 HB2 HIS 4 2HB HIS 4 -14.810 21.625 9.179 26 HB3 HIS 4 3HB HIS 4 -15.213 21.407 7.477 27 HD1 HIS 4 HD1 HIS 4 -16.421 23.273 6.356 28 HD2 HIS 4 HD2 HIS 4 -16.485 23.634 10.493 29 HE1 HIS 4 HE1 HIS 4 -17.474 25.501 6.817 30 HE2 HIS 4 HE2 HIS 4 -17.702 25.588 9.317 31 H HIS 5 H HIS 5 -17.942 18.483 8.183 32 HA HIS 5 HA HIS 5 -15.705 16.976 7.056 33 HB2 HIS 5 2HB HIS 5 -17.553 15.902 9.204 34 HB3 HIS 5 3HB HIS 5 -16.564 14.875 8.177 35 HD1 HIS 5 HD1 HIS 5 -16.514 16.587 11.350 36 HD2 HIS 5 HD2 HIS 5 -13.678 15.464 8.526 37 HE1 HIS 5 HE1 HIS 5 -14.313 16.592 12.562 38 HE2 HIS 5 HE2 HIS 5 -12.661 15.702 10.888 39 H HIS 6 H HIS 6 -16.375 15.468 5.431 40 HA HIS 6 HA HIS 6 -19.148 15.865 4.511 41 HB2 HIS 6 2HB HIS 6 -16.792 14.719 2.988 42 HB3 HIS 6 3HB HIS 6 -18.386 15.057 2.328 43 HD1 HIS 6 HD1 HIS 6 -15.259 16.373 2.007 44 HD2 HIS 6 HD2 HIS 6 -18.858 18.113 3.127 45 HE1 HIS 6 HE1 HIS 6 -14.991 18.822 1.536 46 HE2 HIS 6 HE2 HIS 6 -17.197 19.849 2.172 47 H HIS 7 H HIS 7 -19.908 14.361 6.198 48 HA HIS 7 HA HIS 7 -19.768 11.597 5.193 49 HB2 HIS 7 2HB HIS 7 -19.729 10.673 7.440 50 HB3 HIS 7 3HB HIS 7 -18.345 11.729 7.204 51 HD1 HIS 7 HD1 HIS 7 -21.164 11.113 9.447 52 HD2 HIS 7 HD2 HIS 7 -18.659 14.310 8.562 53 HE1 HIS 7 HE1 HIS 7 -21.406 12.708 11.366 54 HE2 HIS 7 HE2 HIS 7 -19.946 14.667 10.779 55 H HIS 8 H HIS 8 -21.754 11.739 4.171 56 HA HIS 8 HA HIS 8 -24.178 12.486 5.413 57 HB2 HIS 8 2HB HIS 8 -23.988 12.150 2.980 58 HB3 HIS 8 3HB HIS 8 -23.682 10.435 3.226 59 HD1 HIS 8 HD1 HIS 8 -25.707 8.926 3.697 60 HD2 HIS 8 HD2 HIS 8 -26.688 12.947 3.318 61 HE1 HIS 8 HE1 HIS 8 -28.207 8.993 3.503 62 HE2 HIS 8 HE2 HIS 8 -28.785 11.439 3.404 63 H SER 9 H SER 9 -24.721 11.654 7.363 64 HA SER 9 HA SER 9 -23.643 9.618 8.729 65 HB2 SER 9 2HB SER 9 -26.543 10.466 8.882 66 HB3 SER 9 3HB SER 9 -25.715 9.503 10.106 67 HG SER 9 HG SER 9 -24.691 11.226 10.791 68 H HIS 10 H HIS 10 -23.170 7.852 7.449 69 HA HIS 10 HA HIS 10 -25.366 6.094 6.630 70 HB2 HIS 10 2HB HIS 10 -23.725 6.443 4.915 71 HB3 HIS 10 3HB HIS 10 -22.401 6.105 6.021 72 HD1 HIS 10 HD1 HIS 10 -21.545 3.778 6.036 73 HD2 HIS 10 HD2 HIS 10 -25.324 4.036 4.321 74 HE1 HIS 10 HE1 HIS 10 -22.025 1.493 5.120 75 HE2 HIS 10 HE2 HIS 10 -24.360 1.634 4.208 76 H MET 11 H MET 11 -26.065 5.118 8.478 77 HA MET 11 HA MET 11 -24.319 4.219 10.556 78 HB2 MET 11 2HB MET 11 -27.210 3.442 10.095 79 HB3 MET 11 3HB MET 11 -26.313 3.311 11.605 80 HG2 MET 11 2HG MET 11 -27.116 5.846 10.190 81 HG3 MET 11 3HG MET 11 -27.773 5.218 11.701 82 HE1 MET 11 3HE MET 11 -25.186 4.188 13.199 83 HE2 MET 11 1HE MET 11 -26.415 5.166 14.002 84 HE3 MET 11 2HE MET 11 -24.713 5.610 14.127 85 H ALA 12 H ALA 12 -24.177 1.967 11.324 86 HA ALA 12 HA ALA 12 -23.180 0.206 9.409 87 HB1 ALA 12 3HB ALA 12 -22.597 0.092 11.779 88 HB2 ALA 12 1HB ALA 12 -23.156 -1.471 11.183 89 HB3 ALA 12 2HB ALA 12 -24.227 -0.465 12.161 90 H ASN 13 H ASN 13 -24.138 -1.048 7.943 91 HA ASN 13 HA ASN 13 -25.611 -2.383 6.845 92 HB2 ASN 13 2HB ASN 13 -26.981 -2.654 9.531 93 HB3 ASN 13 3HB ASN 13 -27.275 -3.669 8.121 94 HD21 ASN 13 1HD2 ASN 13 -26.294 -4.327 10.806 95 HD22 ASN 13 2HD2 ASN 13 -24.790 -5.137 10.562 96 H GLY 14 H GLY 14 -26.338 0.594 7.874 97 HA2 GLY 14 2HA GLY 14 -29.179 0.623 7.186 98 HA3 GLY 14 3HA GLY 14 -28.228 1.984 7.758 99 H ALA 15 H ALA 15 -28.504 -0.177 4.932 100 HA ALA 15 HA ALA 15 -28.747 1.980 3.084 101 HB1 ALA 15 3HB ALA 15 -26.634 1.756 1.904 102 HB2 ALA 15 1HB ALA 15 -26.091 0.536 3.057 103 HB3 ALA 15 2HB ALA 15 -26.347 2.199 3.585 104 H ALA 16 H ALA 16 -28.682 1.199 0.781 105 HA ALA 16 HA ALA 16 -30.032 -1.341 0.544 106 HB1 ALA 16 3HB ALA 16 -29.193 0.627 -1.589 107 HB2 ALA 16 1HB ALA 16 -30.755 0.589 -0.768 108 HB3 ALA 16 2HB ALA 16 -30.277 -0.747 -1.817 109 H GLY 17 H GLY 17 -29.255 -3.234 -0.283 110 HA2 GLY 17 2HA GLY 17 -27.728 -4.733 -1.219 111 HA3 GLY 17 3HA GLY 17 -26.623 -3.397 -1.513 112 H THR 18 H THR 18 -28.149 -4.438 1.508 113 HA THR 18 HA THR 18 -25.929 -3.860 3.102 114 HB THR 18 HB THR 18 -28.073 -5.867 3.821 115 HG1 THR 18 HG1 THR 18 -28.175 -3.046 3.621 116 HG21 THR 18 3HG2 THR 18 -26.460 -3.953 5.523 117 HG22 THR 18 1HG2 THR 18 -26.200 -5.696 5.406 118 HG23 THR 18 2HG2 THR 18 -27.693 -5.071 6.104 119 H LYS 19 H LYS 19 -27.020 -7.017 1.832 120 HA LYS 19 HA LYS 19 -25.148 -8.542 3.310 121 HB2 LYS 19 2HB LYS 19 -25.787 -10.418 1.899 122 HB3 LYS 19 3HB LYS 19 -27.201 -9.508 2.412 123 HG2 LYS 19 2HG LYS 19 -27.282 -8.414 0.207 124 HG3 LYS 19 3HG LYS 19 -25.885 -9.369 -0.300 125 HD2 LYS 19 2HD LYS 19 -27.209 -11.437 0.153 126 HD3 LYS 19 3HD LYS 19 -28.607 -10.420 0.500 127 HE2 LYS 19 2HE LYS 19 -27.120 -10.562 -2.127 128 HE3 LYS 19 3HE LYS 19 -28.687 -11.291 -1.783 129 HZ1 LYS 19 3HZ LYS 19 -28.864 -9.179 -2.977 130 HZ2 LYS 19 1HZ LYS 19 -28.116 -8.379 -1.692 131 HZ3 LYS 19 2HZ LYS 19 -29.625 -9.109 -1.470 132 H VAL 20 H VAL 20 -24.852 -6.950 0.183 133 HA VAL 20 HA VAL 20 -22.168 -8.138 -0.132 134 HB VAL 20 HB VAL 20 -23.706 -6.568 -2.215 135 HG11 VAL 20 1HG1 VAL 20 -21.284 -6.639 -2.587 136 HG12 VAL 20 2HG1 VAL 20 -22.145 -7.576 -3.809 137 HG13 VAL 20 3HG1 VAL 20 -21.317 -8.401 -2.487 138 HG21 VAL 20 3HG2 VAL 20 -24.233 -8.743 -3.251 139 HG22 VAL 20 1HG2 VAL 20 -24.974 -8.562 -1.663 140 HG23 VAL 20 2HG2 VAL 20 -23.534 -9.563 -1.855 141 H ALA 21 H ALA 21 -23.373 -5.644 1.396 142 HA ALA 21 HA ALA 21 -22.170 -3.318 0.399 143 HB1 ALA 21 3HB ALA 21 -22.523 -2.365 2.612 144 HB2 ALA 21 1HB ALA 21 -22.781 -3.978 3.279 145 HB3 ALA 21 2HB ALA 21 -23.924 -3.313 2.111 146 H LEU 22 H LEU 22 -20.815 -5.900 2.338 147 HA LEU 22 HA LEU 22 -18.398 -4.386 2.944 148 HB2 LEU 22 2HB LEU 22 -19.172 -7.225 3.636 149 HB3 LEU 22 3HB LEU 22 -17.737 -6.398 4.216 150 HG LEU 22 HG LEU 22 -20.599 -5.636 4.845 151 HD11 LEU 22 1HD1 LEU 22 -19.939 -7.657 6.001 152 HD12 LEU 22 2HD1 LEU 22 -20.014 -6.313 7.142 153 HD13 LEU 22 3HD1 LEU 22 -18.451 -6.890 6.557 154 HD21 LEU 22 3HD2 LEU 22 -18.020 -4.422 5.851 155 HD22 LEU 22 1HD2 LEU 22 -19.650 -3.988 6.371 156 HD23 LEU 22 2HD2 LEU 22 -19.139 -3.669 4.715 157 H ARG 23 H ARG 23 -19.402 -6.034 0.274 158 HA ARG 23 HA ARG 23 -18.378 -6.942 -1.551 159 HB2 ARG 23 2HB ARG 23 -17.122 -4.789 -1.346 160 HB3 ARG 23 3HB ARG 23 -15.889 -5.632 -0.423 161 HG2 ARG 23 2HG ARG 23 -15.395 -7.043 -2.370 162 HG3 ARG 23 3HG ARG 23 -16.634 -6.190 -3.295 163 HD2 ARG 23 2HD ARG 23 -15.407 -4.112 -3.094 164 HD3 ARG 23 3HD ARG 23 -14.210 -4.880 -2.052 165 HE ARG 23 HE ARG 23 -14.219 -6.314 -4.417 166 HH11 ARG 23 1HH1 ARG 23 -13.617 -3.044 -3.504 167 HH12 ARG 23 2HH1 ARG 23 -12.405 -2.821 -4.721 168 HH21 ARG 23 1HH2 ARG 23 -12.672 -6.002 -5.975 169 HH22 ARG 23 2HH2 ARG 23 -11.866 -4.472 -6.088 170 H LYS 24 H LYS 24 -18.340 -8.427 1.084 171 HA LYS 24 HA LYS 24 -15.948 -10.079 0.911 172 HB2 LYS 24 2HB LYS 24 -18.297 -10.108 2.814 173 HB3 LYS 24 3HB LYS 24 -16.957 -11.241 2.907 174 HG2 LYS 24 2HG LYS 24 -16.714 -8.241 3.144 175 HG3 LYS 24 3HG LYS 24 -16.743 -9.372 4.498 176 HD2 LYS 24 2HD LYS 24 -14.681 -9.395 2.282 177 HD3 LYS 24 3HD LYS 24 -14.446 -8.638 3.859 178 HE2 LYS 24 2HE LYS 24 -15.031 -11.571 3.411 179 HE3 LYS 24 3HE LYS 24 -13.434 -10.893 3.715 180 HZ1 LYS 24 3HZ LYS 24 -15.728 -10.659 5.585 181 HZ2 LYS 24 1HZ LYS 24 -14.137 -10.176 5.872 182 HZ3 LYS 24 2HZ LYS 24 -14.506 -11.817 5.716 183 H THR 25 H THR 25 -19.175 -10.185 -0.257 184 HA THR 25 HA THR 25 -19.162 -13.087 -0.599 185 HB THR 25 HB THR 25 -21.423 -12.765 -1.600 186 HG1 THR 25 HG1 THR 25 -21.066 -10.572 -2.317 187 HG21 THR 25 3HG2 THR 25 -21.170 -13.231 0.787 188 HG22 THR 25 1HG2 THR 25 -22.542 -12.157 0.500 189 HG23 THR 25 2HG2 THR 25 -21.024 -11.505 1.120 190 H LYS 26 H LYS 26 -18.044 -13.864 -2.261 191 HA LYS 26 HA LYS 26 -17.932 -12.344 -4.783 192 HB2 LYS 26 2HB LYS 26 -16.231 -14.686 -3.892 193 HB3 LYS 26 3HB LYS 26 -16.002 -13.735 -5.352 194 HG2 LYS 26 2HG LYS 26 -15.509 -11.756 -4.032 195 HG3 LYS 26 3HG LYS 26 -15.806 -12.648 -2.544 196 HD2 LYS 26 2HD LYS 26 -13.686 -13.494 -4.513 197 HD3 LYS 26 3HD LYS 26 -13.369 -12.299 -3.258 198 HE2 LYS 26 2HE LYS 26 -12.632 -14.397 -2.414 199 HE3 LYS 26 3HE LYS 26 -14.128 -14.012 -1.573 200 HZ1 LYS 26 3HZ LYS 26 -14.036 -16.323 -2.258 201 HZ2 LYS 26 1HZ LYS 26 -13.880 -15.870 -3.875 202 HZ3 LYS 26 2HZ LYS 26 -15.307 -15.529 -3.030 203 H GLN 27 H GLN 27 -18.292 -13.410 -6.805 204 HA GLN 27 HA GLN 27 -20.202 -15.635 -6.543 205 HB2 GLN 27 2HB GLN 27 -20.921 -14.783 -8.916 206 HB3 GLN 27 3HB GLN 27 -21.471 -13.965 -7.463 207 HG2 GLN 27 2HG GLN 27 -19.811 -12.231 -7.756 208 HG3 GLN 27 3HG GLN 27 -19.134 -13.070 -9.147 209 HE21 GLN 27 1HE2 GLN 27 -21.789 -11.160 -7.976 210 HE22 GLN 27 2HE2 GLN 27 -22.472 -10.821 -9.526 211 H ALA 28 H ALA 28 -18.322 -14.538 -9.404 212 HA ALA 28 HA ALA 28 -17.204 -17.236 -9.632 213 HB1 ALA 28 3HB ALA 28 -19.295 -17.258 -10.913 214 HB2 ALA 28 1HB ALA 28 -17.890 -17.437 -11.965 215 HB3 ALA 28 2HB ALA 28 -18.728 -15.887 -11.867 216 H ALA 29 H ALA 29 -15.393 -17.419 -11.051 217 HA ALA 29 HA ALA 29 -13.413 -15.580 -10.626 218 HB1 ALA 29 3HB ALA 29 -13.034 -17.889 -11.361 219 HB2 ALA 29 1HB ALA 29 -12.107 -16.735 -12.322 220 HB3 ALA 29 2HB ALA 29 -13.573 -17.458 -12.983 221 H GLU 30 H GLU 30 -15.625 -15.621 -13.383 222 HA GLU 30 HA GLU 30 -14.314 -13.911 -15.131 223 HB2 GLU 30 2HB GLU 30 -17.280 -14.248 -14.659 224 HB3 GLU 30 3HB GLU 30 -16.597 -13.382 -16.027 225 HG2 GLU 30 2HG GLU 30 -16.077 -16.285 -15.407 226 HG3 GLU 30 3HG GLU 30 -17.289 -15.700 -16.545 227 H LYS 31 H LYS 31 -15.852 -13.079 -12.143 228 HA LYS 31 HA LYS 31 -15.300 -10.237 -12.684 229 HB2 LYS 31 2HB LYS 31 -17.718 -10.717 -12.999 230 HB3 LYS 31 3HB LYS 31 -17.802 -11.257 -11.330 231 HG2 LYS 31 2HG LYS 31 -17.628 -9.114 -10.483 232 HG3 LYS 31 3HG LYS 31 -16.799 -8.501 -11.915 233 HD2 LYS 31 2HD LYS 31 -19.127 -7.663 -11.689 234 HD3 LYS 31 3HD LYS 31 -18.843 -8.542 -13.190 235 HE2 LYS 31 2HE LYS 31 -19.837 -10.565 -12.116 236 HE3 LYS 31 3HE LYS 31 -20.236 -9.571 -10.716 237 HZ1 LYS 31 3HZ LYS 31 -22.111 -9.806 -12.224 238 HZ2 LYS 31 1HZ LYS 31 -21.213 -9.122 -13.482 239 HZ3 LYS 31 2HZ LYS 31 -21.615 -8.192 -12.129 240 H ILE 32 H ILE 32 -14.500 -12.771 -10.821 241 HA ILE 32 HA ILE 32 -14.227 -11.295 -8.319 242 HB ILE 32 HB ILE 32 -13.261 -14.070 -9.071 243 HG12 ILE 32 2HG1 ILE 32 -15.496 -13.182 -7.222 244 HG13 ILE 32 3HG1 ILE 32 -15.716 -13.840 -8.839 245 HG21 ILE 32 1HG2 ILE 32 -11.761 -13.097 -7.408 246 HG22 ILE 32 2HG2 ILE 32 -12.737 -14.375 -6.688 247 HG23 ILE 32 3HG2 ILE 32 -13.139 -12.685 -6.384 248 HD11 ILE 32 3HD1 ILE 32 -14.740 -15.955 -8.108 249 HD12 ILE 32 1HD1 ILE 32 -16.144 -15.515 -7.138 250 HD13 ILE 32 2HD1 ILE 32 -14.521 -15.293 -6.487 251 H SER 33 H SER 33 -12.900 -9.563 -8.971 252 HA SER 33 HA SER 33 -10.516 -9.669 -10.379 253 HB2 SER 33 2HB SER 33 -11.569 -7.549 -9.761 254 HB3 SER 33 3HB SER 33 -11.185 -7.831 -8.065 255 HG SER 33 HG SER 33 -9.232 -7.138 -8.409 256 H ALA 34 H ALA 34 -11.044 -10.259 -6.939 257 HA ALA 34 HA ALA 34 -8.538 -10.341 -5.881 258 HB1 ALA 34 3HB ALA 34 -9.354 -11.990 -4.285 259 HB2 ALA 34 1HB ALA 34 -10.716 -12.363 -5.344 260 HB3 ALA 34 2HB ALA 34 -10.583 -10.766 -4.605 261 H ASP 35 H ASP 35 -10.017 -12.913 -7.833 262 HA ASP 35 HA ASP 35 -7.748 -14.674 -7.602 263 HB2 ASP 35 2HB ASP 35 -10.018 -15.567 -7.893 264 HB3 ASP 35 3HB ASP 35 -10.147 -14.760 -9.453 265 H LYS 36 H LYS 36 -8.914 -12.288 -9.892 266 HA LYS 36 HA LYS 36 -7.169 -12.993 -12.036 267 HB2 LYS 36 2HB LYS 36 -9.318 -11.805 -12.346 268 HB3 LYS 36 3HB LYS 36 -8.659 -10.402 -11.523 269 HG2 LYS 36 2HG LYS 36 -7.289 -11.454 -13.970 270 HG3 LYS 36 3HG LYS 36 -8.760 -10.496 -14.133 271 HD2 LYS 36 2HD LYS 36 -7.706 -8.660 -12.895 272 HD3 LYS 36 3HD LYS 36 -6.238 -9.620 -12.704 273 HE2 LYS 36 2HE LYS 36 -5.983 -9.679 -15.155 274 HE3 LYS 36 3HE LYS 36 -7.425 -8.677 -15.318 275 HZ1 LYS 36 3HZ LYS 36 -5.414 -7.357 -15.458 276 HZ2 LYS 36 1HZ LYS 36 -4.919 -7.891 -13.930 277 HZ3 LYS 36 2HZ LYS 36 -6.303 -6.931 -14.085 278 H ILE 37 H ILE 37 -6.824 -10.923 -9.229 279 HA ILE 37 HA ILE 37 -4.831 -9.165 -10.052 280 HB ILE 37 HB ILE 37 -5.099 -10.408 -7.304 281 HG12 ILE 37 2HG1 ILE 37 -7.179 -9.337 -7.950 282 HG13 ILE 37 3HG1 ILE 37 -6.366 -8.335 -6.755 283 HG21 ILE 37 1HG2 ILE 37 -2.934 -9.351 -7.570 284 HG22 ILE 37 2HG2 ILE 37 -3.948 -8.369 -6.514 285 HG23 ILE 37 3HG2 ILE 37 -3.694 -7.886 -8.191 286 HD11 ILE 37 3HD1 ILE 37 -5.579 -6.861 -8.547 287 HD12 ILE 37 1HD1 ILE 37 -7.338 -6.979 -8.505 288 HD13 ILE 37 2HD1 ILE 37 -6.424 -7.860 -9.729 289 H SER 38 H SER 38 -2.806 -9.438 -10.735 290 HA SER 38 HA SER 38 -1.452 -11.999 -10.256 291 HB2 SER 38 2HB SER 38 -0.803 -9.783 -12.220 292 HB3 SER 38 3HB SER 38 0.064 -11.312 -12.088 293 HG SER 38 HG SER 38 -2.336 -12.105 -12.355 294 H LYS 39 H LYS 39 0.694 -12.126 -9.573 295 HA LYS 39 HA LYS 39 1.520 -10.638 -7.414 296 HB2 LYS 39 2HB LYS 39 2.385 -12.860 -8.094 297 HB3 LYS 39 3HB LYS 39 3.281 -12.109 -9.399 298 HG2 LYS 39 2HG LYS 39 3.766 -11.282 -6.558 299 HG3 LYS 39 3HG LYS 39 4.494 -12.753 -7.197 300 HD2 LYS 39 2HD LYS 39 5.575 -11.449 -8.976 301 HD3 LYS 39 3HD LYS 39 4.838 -9.975 -8.347 302 HE2 LYS 39 2HE LYS 39 7.148 -10.151 -7.610 303 HE3 LYS 39 3HE LYS 39 6.057 -10.279 -6.233 304 HZ1 LYS 39 3HZ LYS 39 7.289 -12.595 -7.615 305 HZ2 LYS 39 1HZ LYS 39 6.363 -12.638 -6.201 306 HZ3 LYS 39 2HZ LYS 39 7.885 -11.901 -6.195 307 H GLU 40 H GLU 40 2.860 -10.324 -10.724 308 HA GLU 40 HA GLU 40 4.438 -8.045 -10.113 309 HB2 GLU 40 2HB GLU 40 4.801 -7.891 -12.524 310 HB3 GLU 40 3HB GLU 40 4.945 -9.555 -11.970 311 HG2 GLU 40 2HG GLU 40 2.531 -9.860 -12.702 312 HG3 GLU 40 3HG GLU 40 2.687 -8.304 -13.515 313 H ALA 41 H ALA 41 1.149 -8.392 -11.356 314 HA ALA 41 HA ALA 41 0.699 -5.759 -12.205 315 HB1 ALA 41 3HB ALA 41 -1.285 -7.678 -10.974 316 HB2 ALA 41 1HB ALA 41 -0.843 -7.602 -12.681 317 HB3 ALA 41 2HB ALA 41 -1.683 -6.247 -11.927 318 H LEU 42 H LEU 42 0.301 -7.244 -9.006 319 HA LEU 42 HA LEU 42 -0.635 -4.957 -7.644 320 HB2 LEU 42 2HB LEU 42 -0.717 -7.310 -6.814 321 HB3 LEU 42 3HB LEU 42 1.012 -7.248 -6.544 322 HG LEU 42 HG LEU 42 -0.822 -5.292 -5.163 323 HD11 LEU 42 1HD1 LEU 42 -0.962 -6.821 -3.263 324 HD12 LEU 42 2HD1 LEU 42 -0.125 -8.067 -4.192 325 HD13 LEU 42 3HD1 LEU 42 -1.722 -7.512 -4.696 326 HD21 LEU 42 3HD2 LEU 42 1.865 -6.473 -4.426 327 HD22 LEU 42 1HD2 LEU 42 0.956 -5.301 -3.467 328 HD23 LEU 42 2HD2 LEU 42 1.581 -4.848 -5.051 329 H LEU 43 H LEU 43 2.662 -6.192 -8.200 330 HA LEU 43 HA LEU 43 4.075 -4.271 -6.731 331 HB2 LEU 43 2HB LEU 43 4.908 -5.705 -9.254 332 HB3 LEU 43 3HB LEU 43 5.995 -4.789 -8.226 333 HG LEU 43 HG LEU 43 4.534 -7.333 -7.501 334 HD11 LEU 43 1HD1 LEU 43 6.436 -7.691 -8.955 335 HD12 LEU 43 2HD1 LEU 43 6.802 -8.257 -7.327 336 HD13 LEU 43 3HD1 LEU 43 7.464 -6.725 -7.895 337 HD21 LEU 43 3HD2 LEU 43 5.706 -7.235 -5.362 338 HD22 LEU 43 1HD2 LEU 43 4.644 -5.844 -5.560 339 HD23 LEU 43 2HD2 LEU 43 6.383 -5.663 -5.788 340 H GLU 44 H GLU 44 3.091 -4.205 -10.162 341 HA GLU 44 HA GLU 44 4.278 -1.772 -10.860 342 HB2 GLU 44 2HB GLU 44 1.789 -3.117 -11.916 343 HB3 GLU 44 3HB GLU 44 2.489 -1.681 -12.650 344 HG2 GLU 44 2HG GLU 44 3.832 -4.367 -12.355 345 HG3 GLU 44 3HG GLU 44 3.164 -3.686 -13.839 346 H CYS 45 H CYS 45 1.155 -2.404 -9.331 347 HA CYS 45 HA CYS 45 0.170 0.256 -9.442 348 HB2 CYS 45 2HB CYS 45 -0.485 -1.977 -7.499 349 HB3 CYS 45 3HB CYS 45 -1.396 -0.478 -7.651 350 HG CYS 45 HG CYS 45 -1.083 -2.886 -10.065 351 H ALA 46 H ALA 46 1.921 -1.518 -6.892 352 HA ALA 46 HA ALA 46 2.090 0.694 -5.095 353 HB1 ALA 46 3HB ALA 46 3.647 -0.688 -3.843 354 HB2 ALA 46 1HB ALA 46 3.811 -1.785 -5.217 355 HB3 ALA 46 2HB ALA 46 2.267 -1.649 -4.375 356 H ASP 47 H ASP 47 4.029 -0.416 -7.755 357 HA ASP 47 HA ASP 47 6.456 0.868 -7.338 358 HB2 ASP 47 2HB ASP 47 5.983 -0.788 -9.119 359 HB3 ASP 47 3HB ASP 47 4.991 0.401 -9.954 360 H LEU 48 H LEU 48 3.479 2.091 -8.825 361 HA LEU 48 HA LEU 48 4.370 4.663 -9.506 362 HB2 LEU 48 2HB LEU 48 1.636 3.645 -8.734 363 HB3 LEU 48 3HB LEU 48 1.919 5.283 -9.296 364 HG LEU 48 HG LEU 48 2.483 2.775 -10.894 365 HD11 LEU 48 1HD1 LEU 48 0.571 3.443 -12.258 366 HD12 LEU 48 2HD1 LEU 48 0.266 4.811 -11.186 367 HD13 LEU 48 3HD1 LEU 48 0.081 3.162 -10.588 368 HD21 LEU 48 3HD2 LEU 48 4.005 4.588 -11.465 369 HD22 LEU 48 1HD2 LEU 48 2.648 5.697 -11.649 370 HD23 LEU 48 2HD2 LEU 48 2.836 4.339 -12.761 371 H LEU 49 H LEU 49 3.075 3.436 -6.433 372 HA LEU 49 HA LEU 49 2.849 5.961 -5.166 373 HB2 LEU 49 2HB LEU 49 3.001 3.148 -4.120 374 HB3 LEU 49 3HB LEU 49 3.012 4.509 -3.016 375 HG LEU 49 HG LEU 49 0.822 5.242 -3.912 376 HD11 LEU 49 1HD1 LEU 49 -0.475 3.750 -5.345 377 HD12 LEU 49 2HD1 LEU 49 0.918 2.678 -5.494 378 HD13 LEU 49 3HD1 LEU 49 0.988 4.311 -6.155 379 HD21 LEU 49 3HD2 LEU 49 -0.516 3.467 -2.887 380 HD22 LEU 49 1HD2 LEU 49 0.915 3.835 -1.923 381 HD23 LEU 49 2HD2 LEU 49 0.879 2.388 -2.929 382 H SER 50 H SER 50 5.498 3.567 -5.183 383 HA SER 50 HA SER 50 7.213 4.821 -3.360 384 HB2 SER 50 2HB SER 50 8.994 3.536 -4.284 385 HB3 SER 50 3HB SER 50 7.548 2.551 -4.503 386 HG SER 50 HG SER 50 7.576 2.953 -6.643 387 H SER 51 H SER 51 6.973 5.268 -6.882 388 HA SER 51 HA SER 51 8.854 7.379 -7.083 389 HB2 SER 51 2HB SER 51 6.524 6.641 -8.877 390 HB3 SER 51 3HB SER 51 7.757 7.826 -9.295 391 HG SER 51 HG SER 51 7.913 5.378 -9.886 392 H ALA 52 H ALA 52 5.316 7.413 -6.730 393 HA ALA 52 HA ALA 52 4.963 10.196 -7.043 394 HB1 ALA 52 3HB ALA 52 2.720 9.832 -6.167 395 HB2 ALA 52 1HB ALA 52 3.191 8.236 -5.585 396 HB3 ALA 52 2HB ALA 52 3.153 8.565 -7.318 397 H LEU 53 H LEU 53 5.937 8.320 -4.269 398 HA LEU 53 HA LEU 53 5.400 10.480 -2.393 399 HB2 LEU 53 2HB LEU 53 6.678 7.766 -2.042 400 HB3 LEU 53 3HB LEU 53 6.434 8.909 -0.732 401 HG LEU 53 HG LEU 53 4.194 7.755 -2.404 402 HD11 LEU 53 1HD1 LEU 53 5.101 6.958 0.361 403 HD12 LEU 53 2HD1 LEU 53 5.283 5.997 -1.106 404 HD13 LEU 53 3HD1 LEU 53 3.673 6.355 -0.482 405 HD21 LEU 53 3HD2 LEU 53 2.760 8.639 -0.609 406 HD22 LEU 53 1HD2 LEU 53 3.647 9.913 -1.445 407 HD23 LEU 53 2HD2 LEU 53 4.176 9.371 0.148 408 H THR 54 H THR 54 7.817 9.888 -4.588 409 HA THR 54 HA THR 54 9.836 11.330 -2.980 410 HB THR 54 HB THR 54 11.503 10.639 -4.635 411 HG1 THR 54 HG1 THR 54 10.737 9.010 -6.228 412 HG21 THR 54 3HG2 THR 54 11.487 8.204 -4.228 413 HG22 THR 54 1HG2 THR 54 9.821 8.321 -3.658 414 HG23 THR 54 2HG2 THR 54 11.117 9.120 -2.767 415 H GLU 55 H GLU 55 8.330 11.271 -6.205 416 HA GLU 55 HA GLU 55 9.280 13.918 -6.887 417 HB2 GLU 55 2HB GLU 55 8.053 13.612 -8.961 418 HB3 GLU 55 3HB GLU 55 8.946 12.142 -8.596 419 HG2 GLU 55 2HG GLU 55 6.899 11.098 -7.758 420 HG3 GLU 55 3HG GLU 55 6.001 12.576 -8.094 421 HA PRO 56 HA PRO 56 5.773 16.267 -5.384 422 HB2 PRO 56 2HB PRO 56 5.701 17.867 -7.860 423 HB3 PRO 56 3HB PRO 56 6.094 18.368 -6.213 424 HG2 PRO 56 2HG PRO 56 7.976 18.208 -8.131 425 HG3 PRO 56 3HG PRO 56 8.329 17.828 -6.435 426 HD2 PRO 56 2HD PRO 56 7.795 15.951 -8.725 427 HD3 PRO 56 3HD PRO 56 9.029 15.845 -7.447 428 H VAL 57 H VAL 57 3.758 15.505 -5.313 429 HA VAL 57 HA VAL 57 2.123 15.403 -7.746 430 HB VAL 57 HB VAL 57 1.115 13.237 -7.045 431 HG11 VAL 57 1HG1 VAL 57 2.817 13.209 -8.773 432 HG12 VAL 57 2HG1 VAL 57 2.975 11.778 -7.754 433 HG13 VAL 57 3HG1 VAL 57 4.092 13.130 -7.556 434 HG21 VAL 57 3HG2 VAL 57 3.378 13.162 -5.042 435 HG22 VAL 57 1HG2 VAL 57 2.273 11.832 -5.395 436 HG23 VAL 57 2HG2 VAL 57 1.660 13.319 -4.669 437 HA PRO 58 HA PRO 58 -1.004 17.115 -5.017 438 HB2 PRO 58 2HB PRO 58 -3.132 15.649 -6.398 439 HB3 PRO 58 3HB PRO 58 -2.792 17.381 -6.388 440 HG2 PRO 58 2HG PRO 58 -2.414 15.826 -8.572 441 HG3 PRO 58 3HG PRO 58 -1.420 17.255 -8.230 442 HD2 PRO 58 2HD PRO 58 -0.791 14.351 -7.788 443 HD3 PRO 58 3HD PRO 58 0.254 15.651 -8.405 444 H ASN 59 H ASN 59 -2.217 16.624 -3.194 445 HA ASN 59 HA ASN 59 -1.857 14.178 -1.887 446 HB2 ASN 59 2HB ASN 59 -2.366 16.267 -0.711 447 HB3 ASN 59 3HB ASN 59 -3.978 16.289 -1.413 448 HD21 ASN 59 1HD2 ASN 59 -2.417 13.373 -0.245 449 HD22 ASN 59 2HD2 ASN 59 -3.468 13.137 1.098 450 H SER 60 H SER 60 -4.483 15.292 -3.944 451 HA SER 60 HA SER 60 -6.362 13.266 -3.399 452 HB2 SER 60 2HB SER 60 -6.956 15.309 -4.632 453 HB3 SER 60 3HB SER 60 -5.933 14.807 -5.979 454 HG SER 60 HG SER 60 -8.479 14.040 -5.330 455 H GLN 61 H GLN 61 -3.924 13.482 -6.001 456 HA GLN 61 HA GLN 61 -4.324 11.022 -7.203 457 HB2 GLN 61 2HB GLN 61 -2.797 12.637 -8.162 458 HB3 GLN 61 3HB GLN 61 -1.726 12.515 -6.772 459 HG2 GLN 61 2HG GLN 61 -1.272 10.163 -7.355 460 HG3 GLN 61 3HG GLN 61 -2.300 10.326 -8.774 461 HE21 GLN 61 1HE2 GLN 61 -1.375 13.017 -9.393 462 HE22 GLN 61 2HE2 GLN 61 0.224 12.832 -10.021 463 H LEU 62 H LEU 62 -2.195 11.757 -4.435 464 HA LEU 62 HA LEU 62 -1.088 9.244 -4.034 465 HB2 LEU 62 2HB LEU 62 -1.840 11.369 -2.024 466 HB3 LEU 62 3HB LEU 62 -0.888 9.952 -1.617 467 HG LEU 62 HG LEU 62 -0.065 12.025 -3.663 468 HD11 LEU 62 1HD1 LEU 62 0.897 11.658 -0.826 469 HD12 LEU 62 2HD1 LEU 62 -0.128 12.972 -1.399 470 HD13 LEU 62 3HD1 LEU 62 1.523 12.816 -1.999 471 HD21 LEU 62 3HD2 LEU 62 2.120 10.926 -3.530 472 HD22 LEU 62 1HD2 LEU 62 0.873 9.804 -4.073 473 HD23 LEU 62 2HD2 LEU 62 1.460 9.733 -2.411 474 H VAL 63 H VAL 63 -4.032 10.536 -2.474 475 HA VAL 63 HA VAL 63 -4.593 8.166 -1.027 476 HB VAL 63 HB VAL 63 -6.503 10.388 -1.797 477 HG11 VAL 63 1HG1 VAL 63 -7.837 9.642 0.121 478 HG12 VAL 63 2HG1 VAL 63 -6.713 8.309 0.390 479 HG13 VAL 63 3HG1 VAL 63 -7.682 8.365 -1.085 480 HG21 VAL 63 3HG2 VAL 63 -6.009 11.312 0.422 481 HG22 VAL 63 1HG2 VAL 63 -4.557 11.229 -0.575 482 HG23 VAL 63 2HG2 VAL 63 -4.823 10.034 0.696 483 H ASP 64 H ASP 64 -5.885 9.386 -4.134 484 HA ASP 64 HA ASP 64 -7.760 7.252 -4.388 485 HB2 ASP 64 2HB ASP 64 -7.989 9.491 -5.502 486 HB3 ASP 64 3HB ASP 64 -6.726 8.993 -6.630 487 H THR 65 H THR 65 -4.561 7.824 -5.873 488 HA THR 65 HA THR 65 -4.451 5.432 -7.360 489 HB THR 65 HB THR 65 -2.107 6.888 -6.093 490 HG1 THR 65 HG1 THR 65 -2.915 8.359 -7.455 491 HG21 THR 65 3HG2 THR 65 -1.509 4.633 -6.855 492 HG22 THR 65 1HG2 THR 65 -0.781 5.861 -7.892 493 HG23 THR 65 2HG2 THR 65 -2.206 4.977 -8.439 494 H GLY 66 H GLY 66 -3.779 6.124 -3.973 495 HA2 GLY 66 2HA GLY 66 -2.774 3.565 -3.261 496 HA3 GLY 66 3HA GLY 66 -3.509 4.727 -2.166 497 H HIS 67 H HIS 67 -6.054 4.770 -3.717 498 HA HIS 67 HA HIS 67 -7.502 2.863 -2.295 499 HB2 HIS 67 2HB HIS 67 -8.189 4.316 -4.852 500 HB3 HIS 67 3HB HIS 67 -9.328 3.258 -4.028 501 HD1 HIS 67 HD1 HIS 67 -9.538 6.444 -4.472 502 HD2 HIS 67 HD2 HIS 67 -8.599 4.437 -0.954 503 HE1 HIS 67 HE1 HIS 67 -10.181 8.002 -2.614 504 HE2 HIS 67 HE2 HIS 67 -9.801 6.683 -0.510 505 H GLN 68 H GLN 68 -6.315 2.648 -5.667 506 HA GLN 68 HA GLN 68 -7.463 0.105 -6.178 507 HB2 GLN 68 2HB GLN 68 -6.049 -0.009 -8.141 508 HB3 GLN 68 3HB GLN 68 -6.710 1.612 -7.983 509 HG2 GLN 68 2HG GLN 68 -4.580 2.386 -7.061 510 HG3 GLN 68 3HG GLN 68 -3.917 0.762 -7.233 511 HE21 GLN 68 1HE2 GLN 68 -3.049 3.272 -8.443 512 HE22 GLN 68 2HE2 GLN 68 -3.099 3.022 -10.152 513 H LEU 69 H LEU 69 -4.447 1.053 -4.634 514 HA LEU 69 HA LEU 69 -3.234 -1.500 -4.574 515 HB2 LEU 69 2HB LEU 69 -2.966 0.978 -2.915 516 HB3 LEU 69 3HB LEU 69 -2.256 -0.509 -2.316 517 HG LEU 69 HG LEU 69 -0.597 0.842 -3.489 518 HD11 LEU 69 1HD1 LEU 69 -0.356 -1.581 -3.534 519 HD12 LEU 69 2HD1 LEU 69 0.237 -0.867 -5.032 520 HD13 LEU 69 3HD1 LEU 69 -1.335 -1.667 -5.000 521 HD21 LEU 69 3HD2 LEU 69 -0.750 1.249 -5.887 522 HD22 LEU 69 1HD2 LEU 69 -2.095 2.011 -5.037 523 HD23 LEU 69 2HD2 LEU 69 -2.352 0.508 -5.928 524 H LEU 70 H LEU 70 -5.477 0.092 -2.308 525 HA LEU 70 HA LEU 70 -5.713 -2.069 -0.508 526 HB2 LEU 70 2HB LEU 70 -7.467 0.273 -1.175 527 HB3 LEU 70 3HB LEU 70 -8.063 -0.984 -0.108 528 HG LEU 70 HG LEU 70 -7.165 0.891 1.171 529 HD11 LEU 70 1HD1 LEU 70 -5.508 -1.622 1.347 530 HD12 LEU 70 2HD1 LEU 70 -7.020 -1.281 2.191 531 HD13 LEU 70 3HD1 LEU 70 -5.566 -0.365 2.581 532 HD21 LEU 70 3HD2 LEU 70 -5.514 1.700 -0.449 533 HD22 LEU 70 1HD2 LEU 70 -4.519 0.272 -0.152 534 HD23 LEU 70 2HD2 LEU 70 -4.792 1.444 1.139 535 H ASP 71 H ASP 71 -7.399 -1.355 -3.528 536 HA ASP 71 HA ASP 71 -9.340 -3.396 -3.416 537 HB2 ASP 71 2HB ASP 71 -9.134 -1.432 -5.060 538 HB3 ASP 71 3HB ASP 71 -7.994 -2.435 -5.948 539 H TYR 72 H TYR 72 -6.204 -3.383 -5.127 540 HA TYR 72 HA TYR 72 -6.091 -6.081 -5.832 541 HB2 TYR 72 2HB TYR 72 -3.983 -3.990 -5.340 542 HB3 TYR 72 3HB TYR 72 -3.513 -5.648 -5.693 543 HD1 TYR 72 HD1 TYR 72 -5.956 -3.142 -7.080 544 HD2 TYR 72 HD2 TYR 72 -2.939 -6.042 -7.895 545 HE1 TYR 72 HE1 TYR 72 -6.176 -2.694 -9.488 546 HE2 TYR 72 HE2 TYR 72 -3.160 -5.599 -10.302 547 HH TYR 72 HH TYR 72 -4.774 -2.936 -11.551 548 H CYS 73 H CYS 73 -4.841 -4.498 -2.895 549 HA CYS 73 HA CYS 73 -3.629 -6.793 -1.785 550 HB2 CYS 73 2HB CYS 73 -4.600 -4.247 -0.481 551 HB3 CYS 73 3HB CYS 73 -3.685 -5.490 0.369 552 HG CYS 73 HG CYS 73 -2.587 -3.561 -2.234 553 H SER 74 H SER 74 -6.817 -5.323 -1.140 554 HA SER 74 HA SER 74 -7.616 -6.991 0.952 555 HB2 SER 74 2HB SER 74 -8.849 -4.950 0.322 556 HB3 SER 74 3HB SER 74 -9.389 -5.732 -1.162 557 HG SER 74 HG SER 74 -10.921 -6.656 -0.059 558 H GLY 75 H GLY 75 -7.873 -7.489 -2.543 559 HA2 GLY 75 2HA GLY 75 -9.261 -10.024 -2.219 560 HA3 GLY 75 3HA GLY 75 -8.708 -9.317 -3.728 561 H TYR 76 H TYR 76 -6.008 -9.063 -3.359 562 HA TYR 76 HA TYR 76 -5.185 -11.682 -4.021 563 HB2 TYR 76 2HB TYR 76 -4.204 -9.501 -4.867 564 HB3 TYR 76 3HB TYR 76 -3.347 -9.381 -3.334 565 HD1 TYR 76 HD2 TYR 76 -3.841 -11.699 -6.214 566 HD2 TYR 76 HD1 TYR 76 -1.204 -10.339 -3.157 567 HE1 TYR 76 HE2 TYR 76 -2.044 -13.074 -7.166 568 HE2 TYR 76 HE1 TYR 76 0.606 -11.714 -4.105 569 HH TYR 76 HH TYR 76 0.825 -13.760 -5.535 570 H VAL 77 H VAL 77 -5.123 -9.956 -0.976 571 HA VAL 77 HA VAL 77 -3.084 -11.288 0.368 572 HB VAL 77 HB VAL 77 -4.288 -9.352 1.314 573 HG11 VAL 77 1HG1 VAL 77 -6.433 -9.673 2.478 574 HG12 VAL 77 2HG1 VAL 77 -6.525 -11.315 1.839 575 HG13 VAL 77 3HG1 VAL 77 -6.575 -9.935 0.739 576 HG21 VAL 77 3HG2 VAL 77 -4.292 -10.094 3.646 577 HG22 VAL 77 1HG2 VAL 77 -2.912 -10.756 2.772 578 HG23 VAL 77 2HG2 VAL 77 -4.305 -11.777 3.121 579 H ASP 78 H ASP 78 -6.411 -12.355 -0.210 580 HA ASP 78 HA ASP 78 -6.211 -14.648 1.508 581 HB2 ASP 78 2HB ASP 78 -8.350 -13.435 0.945 582 HB3 ASP 78 3HB ASP 78 -8.254 -14.133 -0.670 583 H CYS 79 H CYS 79 -5.122 -13.953 -1.624 584 HA CYS 79 HA CYS 79 -5.115 -16.707 -2.568 585 HB2 CYS 79 2HB CYS 79 -5.455 -14.899 -4.188 586 HB3 CYS 79 3HB CYS 79 -3.893 -14.203 -3.765 587 HG CYS 79 HG CYS 79 -3.822 -17.402 -4.808 588 H ILE 80 H ILE 80 -3.152 -14.781 -0.594 589 HA ILE 80 HA ILE 80 -0.590 -15.860 -1.289 590 HB ILE 80 HB ILE 80 -1.462 -14.461 1.250 591 HG12 ILE 80 2HG1 ILE 80 -0.065 -13.372 -1.215 592 HG13 ILE 80 3HG1 ILE 80 -1.749 -13.085 -0.791 593 HG21 ILE 80 1HG2 ILE 80 0.946 -14.026 1.591 594 HG22 ILE 80 2HG2 ILE 80 1.313 -15.037 0.192 595 HG23 ILE 80 3HG2 ILE 80 0.566 -15.748 1.623 596 HD11 ILE 80 3HD1 ILE 80 -1.023 -11.913 1.236 597 HD12 ILE 80 1HD1 ILE 80 -0.388 -11.172 -0.232 598 HD13 ILE 80 2HD1 ILE 80 0.658 -12.175 0.771 599 HA PRO 81 HA PRO 81 -1.398 -19.788 0.789 600 HB2 PRO 81 2HB PRO 81 0.987 -20.956 0.185 601 HB3 PRO 81 3HB PRO 81 -0.328 -20.791 -0.985 602 HG2 PRO 81 2HG PRO 81 2.107 -19.070 -0.625 603 HG3 PRO 81 3HG PRO 81 1.402 -19.707 -2.126 604 HD2 PRO 81 2HD PRO 81 0.973 -17.170 -1.309 605 HD3 PRO 81 3HD PRO 81 -0.268 -18.103 -2.170 606 H GLN 82 H GLN 82 1.807 -18.246 1.161 607 HA GLN 82 HA GLN 82 2.357 -19.398 3.703 608 HB2 GLN 82 2HB GLN 82 3.504 -16.896 2.427 609 HB3 GLN 82 3HB GLN 82 4.169 -17.716 3.834 610 HG2 GLN 82 2HG GLN 82 4.689 -19.666 2.502 611 HG3 GLN 82 3HG GLN 82 3.916 -18.943 1.091 612 HE21 GLN 82 1HE2 GLN 82 4.960 -17.263 0.014 613 HE22 GLN 82 2HE2 GLN 82 6.629 -16.903 0.267 614 H THR 83 H THR 83 1.000 -18.999 5.399 615 HA THR 83 HA THR 83 -0.584 -16.680 5.682 616 HB THR 83 HB THR 83 0.234 -18.584 7.892 617 HG1 THR 83 HG1 THR 83 -1.440 -19.841 7.236 618 HG21 THR 83 3HG2 THR 83 -2.151 -16.732 7.621 619 HG22 THR 83 1HG2 THR 83 -0.793 -16.516 8.726 620 HG23 THR 83 2HG2 THR 83 -1.889 -17.882 8.934 621 H ARG 84 H ARG 84 2.611 -17.503 6.931 622 HA ARG 84 HA ARG 84 3.080 -15.370 8.648 623 HB2 ARG 84 2HB ARG 84 4.967 -16.740 6.712 624 HB3 ARG 84 3HB ARG 84 5.498 -15.607 7.949 625 HG2 ARG 84 2HG ARG 84 3.845 -17.938 8.794 626 HG3 ARG 84 3HG ARG 84 5.524 -18.222 8.346 627 HD2 ARG 84 2HD ARG 84 5.179 -17.843 10.783 628 HD3 ARG 84 3HD ARG 84 6.304 -16.712 10.039 629 HE ARG 84 HE ARG 84 4.413 -15.093 10.044 630 HH11 ARG 84 1HH1 ARG 84 4.343 -17.745 12.247 631 HH12 ARG 84 2HH1 ARG 84 3.445 -16.868 13.434 632 HH21 ARG 84 1HH2 ARG 84 3.270 -13.985 11.552 633 HH22 ARG 84 2HH2 ARG 84 2.847 -14.742 13.050 634 H ASN 85 H ASN 85 3.714 -15.466 5.129 635 HA ASN 85 HA ASN 85 4.324 -12.727 4.833 636 HB2 ASN 85 2HB ASN 85 3.095 -14.582 2.772 637 HB3 ASN 85 3HB ASN 85 3.908 -13.056 2.438 638 HD21 ASN 85 1HD2 ASN 85 5.481 -13.930 1.158 639 HD22 ASN 85 2HD2 ASN 85 6.717 -14.979 1.749 640 H LYS 86 H LYS 86 1.286 -14.512 4.495 641 HA LYS 86 HA LYS 86 -0.361 -12.466 3.565 642 HB2 LYS 86 2HB LYS 86 -0.981 -14.822 3.540 643 HB3 LYS 86 3HB LYS 86 -1.030 -14.858 5.294 644 HG2 LYS 86 2HG LYS 86 -3.012 -13.624 5.385 645 HG3 LYS 86 3HG LYS 86 -2.827 -13.027 3.734 646 HD2 LYS 86 2HD LYS 86 -4.587 -14.758 3.928 647 HD3 LYS 86 3HD LYS 86 -3.286 -15.232 2.838 648 HE2 LYS 86 2HE LYS 86 -2.288 -16.560 4.695 649 HE3 LYS 86 3HE LYS 86 -3.692 -16.159 5.684 650 HZ1 LYS 86 3HZ LYS 86 -5.103 -17.292 4.107 651 HZ2 LYS 86 1HZ LYS 86 -3.880 -18.340 4.619 652 HZ3 LYS 86 2HZ LYS 86 -3.791 -17.617 3.097 653 H PHE 87 H PHE 87 0.576 -13.275 6.870 654 HA PHE 87 HA PHE 87 -1.206 -11.451 8.152 655 HB2 PHE 87 2HB PHE 87 -0.142 -13.410 9.286 656 HB3 PHE 87 3HB PHE 87 1.405 -12.574 9.208 657 HD1 PHE 87 HD2 PHE 87 -1.963 -12.521 10.694 658 HD2 PHE 87 HD1 PHE 87 1.948 -10.832 10.761 659 HE1 PHE 87 HE2 PHE 87 -2.482 -11.400 12.821 660 HE2 PHE 87 HE1 PHE 87 1.433 -9.711 12.888 661 HZ PHE 87 HZ PHE 87 -0.785 -9.995 13.922 662 H ALA 88 H ALA 88 2.300 -11.294 7.450 663 HA ALA 88 HA ALA 88 2.759 -8.665 8.312 664 HB1 ALA 88 3HB ALA 88 4.778 -8.741 6.935 665 HB2 ALA 88 1HB ALA 88 4.163 -10.164 6.094 666 HB3 ALA 88 2HB ALA 88 4.556 -10.256 7.810 667 H PHE 89 H PHE 89 1.545 -9.907 5.270 668 HA PHE 89 HA PHE 89 1.556 -7.520 3.767 669 HB2 PHE 89 2HB PHE 89 1.239 -9.842 2.871 670 HB3 PHE 89 3HB PHE 89 -0.376 -9.849 3.566 671 HD1 PHE 89 HD2 PHE 89 1.771 -8.419 0.949 672 HD2 PHE 89 HD1 PHE 89 -2.180 -8.643 2.525 673 HE1 PHE 89 HE2 PHE 89 0.890 -7.429 -1.123 674 HE2 PHE 89 HE1 PHE 89 -3.063 -7.658 0.454 675 HZ PHE 89 HZ PHE 89 -1.530 -7.050 -1.371 676 H ARG 90 H ARG 90 -1.025 -9.073 5.683 677 HA ARG 90 HA ARG 90 -2.998 -7.119 5.295 678 HB2 ARG 90 2HB ARG 90 -2.632 -9.480 6.932 679 HB3 ARG 90 3HB ARG 90 -3.456 -8.225 7.841 680 HG2 ARG 90 2HG ARG 90 -4.383 -8.992 5.091 681 HG3 ARG 90 3HG ARG 90 -4.855 -9.929 6.509 682 HD2 ARG 90 2HD ARG 90 -6.609 -8.405 6.212 683 HD3 ARG 90 3HD ARG 90 -5.643 -7.711 7.507 684 HE ARG 90 HE ARG 90 -5.350 -6.758 4.737 685 HH11 ARG 90 1HH1 ARG 90 -5.921 -6.136 8.070 686 HH12 ARG 90 2HH1 ARG 90 -6.208 -4.449 7.830 687 HH21 ARG 90 1HH2 ARG 90 -5.747 -4.572 4.426 688 HH22 ARG 90 2HH2 ARG 90 -6.099 -3.565 5.789 689 H GLU 91 H GLU 91 -0.615 -7.422 7.971 690 HA GLU 91 HA GLU 91 -1.562 -5.220 9.451 691 HB2 GLU 91 2HB GLU 91 0.569 -5.208 10.618 692 HB3 GLU 91 3HB GLU 91 0.026 -6.865 10.398 693 HG2 GLU 91 2HG GLU 91 1.602 -7.194 8.604 694 HG3 GLU 91 3HG GLU 91 2.074 -5.498 8.659 695 H ALA 92 H ALA 92 0.996 -5.381 6.965 696 HA ALA 92 HA ALA 92 1.714 -2.668 7.009 697 HB1 ALA 92 3HB ALA 92 2.677 -3.064 4.795 698 HB2 ALA 92 1HB ALA 92 1.794 -4.588 4.678 699 HB3 ALA 92 2HB ALA 92 3.049 -4.387 5.900 700 H VAL 93 H VAL 93 -0.679 -4.360 4.968 701 HA VAL 93 HA VAL 93 -1.610 -2.117 3.554 702 HB VAL 93 HB VAL 93 -3.083 -4.654 4.314 703 HG11 VAL 93 1HG1 VAL 93 -4.637 -4.109 2.482 704 HG12 VAL 93 2HG1 VAL 93 -3.844 -2.547 2.282 705 HG13 VAL 93 3HG1 VAL 93 -4.704 -2.915 3.778 706 HG21 VAL 93 3HG2 VAL 93 -1.094 -5.025 2.939 707 HG22 VAL 93 1HG2 VAL 93 -1.680 -3.851 1.758 708 HG23 VAL 93 2HG2 VAL 93 -2.564 -5.355 2.022 709 H SER 94 H SER 94 -2.532 -3.411 6.717 710 HA SER 94 HA SER 94 -4.736 -1.756 7.257 711 HB2 SER 94 2HB SER 94 -4.213 -3.647 8.702 712 HB3 SER 94 3HB SER 94 -2.685 -2.906 9.177 713 HG SER 94 HG SER 94 -5.217 -1.697 9.637 714 H LYS 95 H LYS 95 -1.263 -1.220 7.892 715 HA LYS 95 HA LYS 95 -1.546 1.383 8.971 716 HB2 LYS 95 2HB LYS 95 0.752 -0.074 7.691 717 HB3 LYS 95 3HB LYS 95 0.903 1.628 8.091 718 HG2 LYS 95 2HG LYS 95 1.853 0.287 9.850 719 HG3 LYS 95 3HG LYS 95 0.412 1.112 10.445 720 HD2 LYS 95 2HD LYS 95 -0.884 -0.920 10.253 721 HD3 LYS 95 3HD LYS 95 0.470 -1.753 9.486 722 HE2 LYS 95 2HE LYS 95 0.379 -0.703 12.316 723 HE3 LYS 95 3HE LYS 95 0.286 -2.392 11.822 724 HZ1 LYS 95 3HZ LYS 95 2.608 -0.571 11.522 725 HZ2 LYS 95 1HZ LYS 95 2.528 -2.118 10.841 726 HZ3 LYS 95 2HZ LYS 95 2.499 -1.931 12.520 727 H LEU 96 H LEU 96 -1.190 0.231 5.640 728 HA LEU 96 HA LEU 96 -0.740 2.721 4.411 729 HB2 LEU 96 2HB LEU 96 -0.375 0.554 3.298 730 HB3 LEU 96 3HB LEU 96 -2.105 0.270 3.279 731 HG LEU 96 HG LEU 96 -2.376 2.268 1.804 732 HD11 LEU 96 1HD1 LEU 96 -0.405 3.211 0.707 733 HD12 LEU 96 2HD1 LEU 96 0.643 2.222 1.723 734 HD13 LEU 96 3HD1 LEU 96 -0.358 3.479 2.449 735 HD21 LEU 96 3HD2 LEU 96 -1.529 1.198 -0.221 736 HD22 LEU 96 1HD2 LEU 96 -2.274 0.018 0.858 737 HD23 LEU 96 2HD2 LEU 96 -0.516 0.131 0.753 738 H GLU 97 H GLU 97 -3.828 0.922 4.802 739 HA GLU 97 HA GLU 97 -5.454 2.882 3.596 740 HB2 GLU 97 2HB GLU 97 -7.352 1.750 4.755 741 HB3 GLU 97 3HB GLU 97 -6.312 0.651 3.866 742 HG2 GLU 97 2HG GLU 97 -5.222 -0.014 5.951 743 HG3 GLU 97 3HG GLU 97 -6.253 1.101 6.847 744 H LEU 98 H LEU 98 -4.679 2.345 7.035 745 HA LEU 98 HA LEU 98 -6.271 4.445 8.042 746 HB2 LEU 98 2HB LEU 98 -3.778 3.182 9.185 747 HB3 LEU 98 3HB LEU 98 -4.831 4.273 10.066 748 HG LEU 98 HG LEU 98 -5.609 1.555 8.991 749 HD11 LEU 98 1HD1 LEU 98 -5.154 2.511 11.820 750 HD12 LEU 98 2HD1 LEU 98 -4.130 1.396 10.915 751 HD13 LEU 98 3HD1 LEU 98 -5.768 0.923 11.359 752 HD21 LEU 98 3HD2 LEU 98 -7.719 1.901 10.189 753 HD22 LEU 98 1HD2 LEU 98 -7.492 3.109 8.925 754 HD23 LEU 98 2HD2 LEU 98 -7.215 3.538 10.613 755 H SER 99 H SER 99 -2.891 4.384 6.961 756 HA SER 99 HA SER 99 -2.309 7.066 7.702 757 HB2 SER 99 2HB SER 99 -0.975 5.300 5.635 758 HB3 SER 99 3HB SER 99 -0.341 6.848 6.195 759 HG SER 99 HG SER 99 -0.225 4.393 7.366 760 H LEU 100 H LEU 100 -3.591 5.613 4.742 761 HA LEU 100 HA LEU 100 -3.543 7.933 3.134 762 HB2 LEU 100 2HB LEU 100 -5.298 5.480 3.071 763 HB3 LEU 100 3HB LEU 100 -5.445 6.765 1.886 764 HG LEU 100 HG LEU 100 -2.913 5.174 2.351 765 HD11 LEU 100 1HD1 LEU 100 -4.720 3.755 1.476 766 HD12 LEU 100 2HD1 LEU 100 -3.441 4.007 0.288 767 HD13 LEU 100 3HD1 LEU 100 -4.961 4.893 0.149 768 HD21 LEU 100 3HD2 LEU 100 -2.526 7.408 1.436 769 HD22 LEU 100 1HD2 LEU 100 -3.696 7.094 0.151 770 HD23 LEU 100 2HD2 LEU 100 -2.199 6.162 0.231 771 H GLN 101 H GLN 101 -6.045 6.676 5.341 772 HA GLN 101 HA GLN 101 -7.907 8.755 4.682 773 HB2 GLN 101 2HB GLN 101 -9.295 7.857 6.482 774 HB3 GLN 101 3HB GLN 101 -8.718 6.585 5.416 775 HG2 GLN 101 2HG GLN 101 -7.018 5.974 7.060 776 HG3 GLN 101 3HG GLN 101 -7.585 7.260 8.128 777 HE21 GLN 101 1HE2 GLN 101 -9.592 7.026 9.150 778 HE22 GLN 101 2HE2 GLN 101 -10.367 5.488 9.289 779 H GLU 102 H GLU 102 -5.479 8.364 7.256 780 HA GLU 102 HA GLU 102 -6.341 10.718 8.667 781 HB2 GLU 102 2HB GLU 102 -4.346 10.536 9.984 782 HB3 GLU 102 3HB GLU 102 -4.968 8.911 9.734 783 HG2 GLU 102 2HG GLU 102 -3.295 8.510 8.019 784 HG3 GLU 102 3HG GLU 102 -2.695 10.156 8.193 785 H LEU 103 H LEU 103 -4.071 10.062 6.066 786 HA LEU 103 HA LEU 103 -2.745 12.522 5.953 787 HB2 LEU 103 2HB LEU 103 -2.051 10.561 4.661 788 HB3 LEU 103 3HB LEU 103 -3.509 10.664 3.692 789 HG LEU 103 HG LEU 103 -2.742 12.857 2.808 790 HD11 LEU 103 1HD1 LEU 103 -0.214 12.250 4.341 791 HD12 LEU 103 2HD1 LEU 103 -1.341 13.572 4.656 792 HD13 LEU 103 3HD1 LEU 103 -0.415 13.540 3.155 793 HD21 LEU 103 3HD2 LEU 103 -0.963 11.961 1.365 794 HD22 LEU 103 1HD2 LEU 103 -2.305 10.830 1.536 795 HD23 LEU 103 2HD2 LEU 103 -0.810 10.564 2.432 796 H GLN 104 H GLN 104 -5.624 11.494 4.093 797 HA GLN 104 HA GLN 104 -5.988 13.910 2.719 798 HB2 GLN 104 2HB GLN 104 -8.238 13.059 2.189 799 HB3 GLN 104 3HB GLN 104 -6.992 11.836 1.974 800 HG2 GLN 104 2HG GLN 104 -7.593 10.922 4.214 801 HG3 GLN 104 3HG GLN 104 -8.935 12.063 4.265 802 HE21 GLN 104 1HE2 GLN 104 -7.670 9.200 2.786 803 HE22 GLN 104 2HE2 GLN 104 -9.137 8.700 2.021 804 H VAL 105 H VAL 105 -6.625 13.281 6.025 805 HA VAL 105 HA VAL 105 -8.401 15.638 6.171 806 HB VAL 105 HB VAL 105 -9.131 14.876 8.364 807 HG11 VAL 105 1HG1 VAL 105 -9.294 12.688 6.283 808 HG12 VAL 105 2HG1 VAL 105 -10.369 14.079 6.425 809 HG13 VAL 105 3HG1 VAL 105 -10.351 12.849 7.688 810 HG21 VAL 105 3HG2 VAL 105 -7.279 12.525 7.932 811 HG22 VAL 105 1HG2 VAL 105 -8.451 12.674 9.245 812 HG23 VAL 105 2HG2 VAL 105 -7.096 13.796 9.141 813 H SER 106 H SER 106 -5.227 14.598 6.847 814 HA SER 106 HA SER 106 -4.790 16.894 8.670 815 HB2 SER 106 2HB SER 106 -4.557 14.746 9.866 816 HB3 SER 106 3HB SER 106 -3.329 14.237 8.708 817 HG SER 106 HG SER 106 -1.915 15.655 9.546 818 H SER 107 H SER 107 -4.332 16.130 5.609 819 HA SER 107 HA SER 107 -1.535 16.419 5.178 820 HB2 SER 107 2HB SER 107 -2.165 16.794 2.799 821 HB3 SER 107 3HB SER 107 -2.957 15.376 3.489 822 HG SER 107 HG SER 107 -4.481 16.565 2.362 823 H ALA 108 H ALA 108 -4.197 18.702 4.543 824 HA ALA 108 HA ALA 108 -4.341 20.971 4.577 825 HB1 ALA 108 3HB ALA 108 -3.169 20.912 6.733 826 HB2 ALA 108 1HB ALA 108 -2.711 22.326 5.785 827 HB3 ALA 108 2HB ALA 108 -1.618 20.946 5.893 828 H ALA 109 H ALA 109 -0.908 20.218 3.870 829 HA ALA 109 HA ALA 109 -0.606 22.077 1.772 830 HB1 ALA 109 3HB ALA 109 1.297 21.071 2.956 831 HB2 ALA 109 1HB ALA 109 1.433 20.837 1.213 832 HB3 ALA 109 2HB ALA 109 0.915 19.504 2.245 833 H ALA 110 H ALA 110 -1.215 22.032 -0.322 834 HA ALA 110 HA ALA 110 -3.106 20.197 -1.272 835 HB1 ALA 110 3HB ALA 110 -2.924 22.482 -2.104 836 HB2 ALA 110 1HB ALA 110 -2.867 21.319 -3.430 837 HB3 ALA 110 2HB ALA 110 -1.385 22.092 -2.868 838 H GLY 111 H GLY 111 0.352 20.476 -2.175 839 HA2 GLY 111 2HA GLY 111 0.558 17.639 -2.589 840 HA3 GLY 111 3HA GLY 111 0.531 18.527 -4.103 841 H VAL 112 H VAL 112 2.256 18.274 -1.011 842 HA VAL 112 HA VAL 112 4.714 19.163 -2.399 843 HB VAL 112 HB VAL 112 4.150 19.458 0.562 844 HG11 VAL 112 1HG1 VAL 112 6.519 19.302 0.041 845 HG12 VAL 112 2HG1 VAL 112 6.112 20.946 0.532 846 HG13 VAL 112 3HG1 VAL 112 6.361 20.572 -1.173 847 HG21 VAL 112 3HG2 VAL 112 3.850 21.857 0.123 848 HG22 VAL 112 1HG2 VAL 112 2.629 20.888 -0.703 849 HG23 VAL 112 2HG2 VAL 112 3.987 21.557 -1.609 850 HA PRO 113 HA PRO 113 5.883 14.914 -1.607 851 HB2 PRO 113 2HB PRO 113 8.466 15.088 -2.492 852 HB3 PRO 113 3HB PRO 113 7.070 14.985 -3.571 853 HG2 PRO 113 2HG PRO 113 8.608 17.412 -2.696 854 HG3 PRO 113 3HG PRO 113 8.037 16.976 -4.320 855 HD2 PRO 113 2HD PRO 113 6.719 18.755 -2.785 856 HD3 PRO 113 3HD PRO 113 5.859 17.644 -3.871 857 H GLY 114 H GLY 114 6.270 14.161 0.377 858 HA2 GLY 114 2HA GLY 114 7.303 13.723 2.380 859 HA3 GLY 114 3HA GLY 114 8.760 14.399 1.677 860 H THR 115 H THR 115 5.786 16.254 2.094 861 HA THR 115 HA THR 115 7.186 18.193 3.725 862 HB THR 115 HB THR 115 5.541 18.929 2.034 863 HG1 THR 115 HG1 THR 115 4.877 19.606 4.732 864 HG21 THR 115 3HG2 THR 115 3.894 17.125 2.281 865 HG22 THR 115 1HG2 THR 115 3.139 18.709 2.465 866 HG23 THR 115 2HG2 THR 115 3.476 17.723 3.888 867 H ASN 116 H ASN 116 5.086 15.509 4.308 868 HA ASN 116 HA ASN 116 5.224 16.062 7.193 869 HB2 ASN 116 2HB ASN 116 2.927 15.148 7.482 870 HB3 ASN 116 3HB ASN 116 2.957 16.650 6.567 871 HD21 ASN 116 1HD2 ASN 116 2.191 16.670 4.524 872 HD22 ASN 116 2HD2 ASN 116 1.532 15.286 3.727 873 HA PRO 117 HA PRO 117 6.818 11.974 7.716 874 HB2 PRO 117 2HB PRO 117 4.861 11.661 9.952 875 HB3 PRO 117 3HB PRO 117 6.617 11.442 9.950 876 HG2 PRO 117 2HG PRO 117 5.533 13.611 11.044 877 HG3 PRO 117 3HG PRO 117 7.027 13.732 10.096 878 HD2 PRO 117 2HD PRO 117 4.224 14.454 9.323 879 HD3 PRO 117 3HD PRO 117 5.747 15.291 8.953 880 H VAL 118 H VAL 118 3.284 12.289 7.753 881 HA VAL 118 HA VAL 118 2.537 9.620 7.554 882 HB VAL 118 HB VAL 118 1.157 11.940 6.176 883 HG11 VAL 118 1HG1 VAL 118 0.349 9.756 5.422 884 HG12 VAL 118 2HG1 VAL 118 -0.871 10.571 6.399 885 HG13 VAL 118 3HG1 VAL 118 0.085 9.264 7.095 886 HG21 VAL 118 3HG2 VAL 118 0.810 10.883 8.989 887 HG22 VAL 118 1HG2 VAL 118 -0.204 12.107 8.224 888 HG23 VAL 118 2HG2 VAL 118 1.500 12.442 8.536 889 H LEU 119 H LEU 119 3.436 11.866 4.948 890 HA LEU 119 HA LEU 119 2.949 10.222 2.745 891 HB2 LEU 119 2HB LEU 119 5.156 12.258 3.114 892 HB3 LEU 119 3HB LEU 119 4.668 11.578 1.573 893 HG LEU 119 HG LEU 119 2.943 13.299 3.364 894 HD11 LEU 119 1HD1 LEU 119 4.276 13.915 0.729 895 HD12 LEU 119 2HD1 LEU 119 4.699 14.588 2.305 896 HD13 LEU 119 3HD1 LEU 119 3.138 14.964 1.578 897 HD21 LEU 119 3HD2 LEU 119 1.599 11.673 2.164 898 HD22 LEU 119 1HD2 LEU 119 2.375 12.120 0.643 899 HD23 LEU 119 2HD2 LEU 119 1.355 13.284 1.490 900 H ASN 120 H ASN 120 5.907 10.488 4.713 901 HA ASN 120 HA ASN 120 7.300 8.465 3.234 902 HB2 ASN 120 2HB ASN 120 7.889 9.709 5.930 903 HB3 ASN 120 3HB ASN 120 8.973 8.611 5.080 904 HD21 ASN 120 1HD2 ASN 120 9.396 11.379 5.862 905 HD22 ASN 120 2HD2 ASN 120 9.756 12.231 4.405 906 H ASN 121 H ASN 121 5.203 8.454 6.039 907 HA ASN 121 HA ASN 121 5.718 5.783 6.858 908 HB2 ASN 121 2HB ASN 121 3.228 7.481 7.179 909 HB3 ASN 121 3HB ASN 121 3.466 5.913 7.949 910 HD21 ASN 121 1HD2 ASN 121 3.060 8.478 9.208 911 HD22 ASN 121 2HD2 ASN 121 4.450 8.755 10.196 912 H LEU 122 H LEU 122 3.509 7.197 4.476 913 HA LEU 122 HA LEU 122 2.246 4.853 3.608 914 HB2 LEU 122 2HB LEU 122 3.075 7.310 2.048 915 HB3 LEU 122 3HB LEU 122 2.079 6.031 1.381 916 HG LEU 122 HG LEU 122 1.334 7.795 3.723 917 HD11 LEU 122 1HD1 LEU 122 0.288 7.746 0.891 918 HD12 LEU 122 2HD1 LEU 122 1.323 8.993 1.593 919 HD13 LEU 122 3HD1 LEU 122 -0.315 8.757 2.205 920 HD21 LEU 122 3HD2 LEU 122 0.377 5.550 3.921 921 HD22 LEU 122 1HD2 LEU 122 -0.275 5.676 2.286 922 HD23 LEU 122 2HD2 LEU 122 -0.865 6.745 3.559 923 H LEU 123 H LEU 123 5.326 6.324 2.566 924 HA LEU 123 HA LEU 123 6.105 4.389 0.710 925 HB2 LEU 123 2HB LEU 123 7.262 6.546 1.057 926 HB3 LEU 123 3HB LEU 123 7.871 5.963 2.594 927 HG LEU 123 HG LEU 123 9.152 4.204 1.406 928 HD11 LEU 123 1HD1 LEU 123 8.180 5.582 -1.099 929 HD12 LEU 123 2HD1 LEU 123 7.734 3.963 -0.562 930 HD13 LEU 123 3HD1 LEU 123 9.399 4.311 -1.025 931 HD21 LEU 123 3HD2 LEU 123 10.230 6.322 1.966 932 HD22 LEU 123 1HD2 LEU 123 9.698 7.012 0.432 933 HD23 LEU 123 2HD2 LEU 123 10.852 5.679 0.448 934 H SER 124 H SER 124 6.754 4.514 4.218 935 HA SER 124 HA SER 124 8.138 2.135 4.557 936 HB2 SER 124 2HB SER 124 7.878 3.623 6.427 937 HB3 SER 124 3HB SER 124 6.122 3.483 6.375 938 HG SER 124 HG SER 124 7.757 1.215 6.818 939 H CYS 125 H CYS 125 4.615 2.614 4.524 940 HA CYS 125 HA CYS 125 3.889 -0.084 4.945 941 HB2 CYS 125 2HB CYS 125 2.352 2.097 3.500 942 HB3 CYS 125 3HB CYS 125 1.670 0.578 4.076 943 HG CYS 125 HG CYS 125 3.113 2.824 6.211 944 H VAL 126 H VAL 126 4.169 1.799 1.926 945 HA VAL 126 HA VAL 126 3.471 -0.232 0.130 946 HB VAL 126 HB VAL 126 5.327 2.126 -0.306 947 HG11 VAL 126 1HG1 VAL 126 4.843 1.841 -2.703 948 HG12 VAL 126 2HG1 VAL 126 3.950 0.363 -2.342 949 HG13 VAL 126 3HG1 VAL 126 5.686 0.444 -2.036 950 HG21 VAL 126 3HG2 VAL 126 2.375 1.787 -0.876 951 HG22 VAL 126 1HG2 VAL 126 3.343 3.205 -1.277 952 HG23 VAL 126 2HG2 VAL 126 3.076 2.768 0.411 953 H GLN 127 H GLN 127 6.690 0.699 1.350 954 HA GLN 127 HA GLN 127 8.241 -1.108 -0.114 955 HB2 GLN 127 2HB GLN 127 8.662 -0.004 2.672 956 HB3 GLN 127 3HB GLN 127 9.868 -0.941 1.804 957 HG2 GLN 127 2HG GLN 127 9.975 0.755 0.065 958 HG3 GLN 127 3HG GLN 127 8.723 1.690 0.880 959 HE21 GLN 127 1HE2 GLN 127 11.460 2.447 0.210 960 HE22 GLN 127 2HE2 GLN 127 12.216 2.879 1.700 961 H GLU 128 H GLU 128 6.614 -1.535 3.026 962 HA GLU 128 HA GLU 128 7.546 -4.169 3.510 963 HB2 GLU 128 2HB GLU 128 6.569 -2.652 5.238 964 HB3 GLU 128 3HB GLU 128 4.990 -2.879 4.503 965 HG2 GLU 128 2HG GLU 128 5.004 -4.328 6.333 966 HG3 GLU 128 3HG GLU 128 5.317 -5.369 4.946 967 H ILE 129 H ILE 129 4.385 -3.022 2.288 968 HA ILE 129 HA ILE 129 3.146 -5.462 1.852 969 HB ILE 129 HB ILE 129 2.860 -2.922 0.229 970 HG12 ILE 129 2HG1 ILE 129 1.206 -3.958 2.548 971 HG13 ILE 129 3HG1 ILE 129 2.417 -2.686 2.664 972 HG21 ILE 129 1HG2 ILE 129 1.955 -4.814 -1.009 973 HG22 ILE 129 2HG2 ILE 129 0.650 -3.783 -0.424 974 HG23 ILE 129 3HG2 ILE 129 1.008 -5.303 0.396 975 HD11 ILE 129 3HD1 ILE 129 -0.123 -2.577 1.050 976 HD12 ILE 129 1HD1 ILE 129 1.098 -1.305 1.133 977 HD13 ILE 129 2HD1 ILE 129 0.190 -1.753 2.578 978 H SER 130 H SER 130 4.896 -3.536 -0.598 979 HA SER 130 HA SER 130 4.662 -5.396 -2.690 980 HB2 SER 130 2HB SER 130 6.431 -4.118 -3.811 981 HB3 SER 130 3HB SER 130 5.271 -3.030 -3.049 982 HG SER 130 HG SER 130 6.743 -2.433 -1.606 983 H ASP 131 H ASP 131 7.146 -5.028 -0.197 984 HA ASP 131 HA ASP 131 9.009 -6.869 -1.275 985 HB2 ASP 131 2HB ASP 131 9.433 -5.111 0.495 986 HB3 ASP 131 3HB ASP 131 8.652 -6.185 1.650 987 H VAL 132 H VAL 132 6.371 -7.244 1.080 988 HA VAL 132 HA VAL 132 6.746 -9.920 1.788 989 HB VAL 132 HB VAL 132 4.162 -8.363 1.495 990 HG11 VAL 132 1HG1 VAL 132 4.612 -11.044 2.826 991 HG12 VAL 132 2HG1 VAL 132 3.650 -10.739 1.378 992 HG13 VAL 132 3HG1 VAL 132 3.135 -10.085 2.932 993 HG21 VAL 132 3HG2 VAL 132 5.812 -9.046 3.938 994 HG22 VAL 132 1HG2 VAL 132 4.303 -8.133 3.927 995 HG23 VAL 132 2HG2 VAL 132 5.741 -7.470 3.151 996 H VAL 133 H VAL 133 5.132 -8.541 -1.033 997 HA VAL 133 HA VAL 133 4.131 -11.000 -2.079 998 HB VAL 133 HB VAL 133 4.722 -8.449 -3.605 999 HG11 VAL 133 1HG1 VAL 133 2.920 -9.189 -5.093 1000 HG12 VAL 133 2HG1 VAL 133 2.754 -10.675 -4.157 1001 HG13 VAL 133 3HG1 VAL 133 4.242 -10.355 -5.045 1002 HG21 VAL 133 3HG2 VAL 133 2.413 -7.783 -3.115 1003 HG22 VAL 133 1HG2 VAL 133 3.360 -7.950 -1.637 1004 HG23 VAL 133 2HG2 VAL 133 2.214 -9.209 -2.097 1005 H GLN 134 H GLN 134 7.272 -9.856 -1.818 1006 HA GLN 134 HA GLN 134 8.226 -11.387 -4.159 1007 HB2 GLN 134 2HB GLN 134 9.740 -9.316 -2.556 1008 HB3 GLN 134 3HB GLN 134 10.238 -10.050 -4.076 1009 HG2 GLN 134 2HG GLN 134 8.335 -8.973 -5.200 1010 HG3 GLN 134 3HG GLN 134 7.884 -8.212 -3.674 1011 HE21 GLN 134 1HE2 GLN 134 8.151 -6.137 -4.424 1012 HE22 GLN 134 2HE2 GLN 134 9.697 -5.463 -4.797 1013 H ARG 135 H ARG 135 7.587 -12.127 -1.151 1014 HA ARG 135 HA ARG 135 10.191 -13.299 -0.440 1015 HB2 ARG 135 2HB ARG 135 7.660 -13.037 1.206 1016 HB3 ARG 135 3HB ARG 135 9.190 -13.694 1.785 1017 HG2 ARG 135 2HG ARG 135 10.272 -11.542 1.389 1018 HG3 ARG 135 3HG ARG 135 8.752 -10.883 0.784 1019 HD2 ARG 135 2HD ARG 135 7.744 -11.374 3.026 1020 HD3 ARG 135 3HD ARG 135 9.362 -11.803 3.596 1021 HE ARG 135 HE ARG 135 9.472 -9.278 2.394 1022 HH11 ARG 135 1HH1 ARG 135 8.252 -10.762 5.273 1023 HH12 ARG 135 2HH1 ARG 135 8.269 -9.274 6.150 1024 HH21 ARG 135 1HH2 ARG 135 9.472 -7.419 3.524 1025 HH22 ARG 135 2HH2 ARG 135 8.911 -7.388 5.162 Start of MODEL 10 1 H1 MET 1 1H MET 1 -46.365 -7.725 -43.823 2 H2 MET 1 2H MET 1 -47.272 -7.890 -42.411 3 H3 MET 1 3H MET 1 -47.461 -9.007 -43.663 4 HA MET 1 HA MET 1 -45.158 -9.725 -43.375 5 HB2 MET 1 2HB MET 1 -44.316 -7.622 -42.407 6 HB3 MET 1 3HB MET 1 -45.250 -7.916 -40.946 7 HG2 MET 1 2HG MET 1 -43.942 -9.960 -40.542 8 HG3 MET 1 3HG MET 1 -42.979 -9.609 -41.976 9 HE1 MET 1 3HE MET 1 -41.202 -6.262 -40.910 10 HE2 MET 1 1HE MET 1 -42.771 -6.367 -41.709 11 HE3 MET 1 2HE MET 1 -41.454 -7.428 -42.210 12 H GLY 2 H GLY 2 -47.419 -9.042 -40.667 13 HA2 GLY 2 2HA GLY 2 -48.058 -11.816 -40.388 14 HA3 GLY 2 3HA GLY 2 -46.937 -11.296 -39.141 15 H HIS 3 H HIS 3 -49.306 -12.285 -38.377 16 HA HIS 3 HA HIS 3 -51.254 -10.164 -37.987 17 HB2 HIS 3 2HB HIS 3 -51.934 -12.520 -38.440 18 HB3 HIS 3 3HB HIS 3 -51.232 -12.993 -36.898 19 HD1 HIS 3 HD1 HIS 3 -54.024 -10.849 -38.290 20 HD2 HIS 3 HD2 HIS 3 -52.926 -12.735 -34.748 21 HE1 HIS 3 HE1 HIS 3 -55.997 -10.607 -36.753 22 HE2 HIS 3 HE2 HIS 3 -55.354 -11.838 -34.660 23 H HIS 4 H HIS 4 -49.543 -8.871 -36.848 24 HA HIS 4 HA HIS 4 -48.803 -7.818 -34.986 25 HB2 HIS 4 2HB HIS 4 -50.797 -9.613 -33.597 26 HB3 HIS 4 3HB HIS 4 -49.895 -8.340 -32.780 27 HD1 HIS 4 HD1 HIS 4 -50.665 -5.934 -33.129 28 HD2 HIS 4 HD2 HIS 4 -52.784 -8.689 -35.410 29 HE1 HIS 4 HE1 HIS 4 -52.622 -4.674 -34.063 30 HE2 HIS 4 HE2 HIS 4 -53.769 -6.306 -35.590 31 H HIS 5 H HIS 5 -48.368 -11.167 -35.335 32 HA HIS 5 HA HIS 5 -46.799 -11.697 -33.012 33 HB2 HIS 5 2HB HIS 5 -48.039 -13.423 -34.306 34 HB3 HIS 5 3HB HIS 5 -46.924 -13.191 -35.644 35 HD1 HIS 5 HD1 HIS 5 -46.837 -14.287 -32.011 36 HD2 HIS 5 HD2 HIS 5 -44.786 -14.871 -35.573 37 HE1 HIS 5 HE1 HIS 5 -45.151 -16.072 -31.525 38 HE2 HIS 5 HE2 HIS 5 -44.067 -16.549 -33.738 39 H HIS 6 H HIS 6 -45.037 -10.398 -32.759 40 HA HIS 6 HA HIS 6 -43.420 -9.525 -34.964 41 HB2 HIS 6 2HB HIS 6 -43.800 -8.065 -33.046 42 HB3 HIS 6 3HB HIS 6 -43.035 -9.230 -31.973 43 HD1 HIS 6 HD1 HIS 6 -42.178 -6.904 -34.831 44 HD2 HIS 6 HD2 HIS 6 -40.311 -8.913 -31.712 45 HE1 HIS 6 HE1 HIS 6 -39.805 -6.095 -34.839 46 HE2 HIS 6 HE2 HIS 6 -38.657 -7.458 -33.067 47 H HIS 7 H HIS 7 -42.965 -11.838 -35.647 48 HA HIS 7 HA HIS 7 -40.683 -12.990 -34.181 49 HB2 HIS 7 2HB HIS 7 -42.509 -14.549 -34.611 50 HB3 HIS 7 3HB HIS 7 -42.438 -14.197 -36.335 51 HD1 HIS 7 HD1 HIS 7 -40.716 -15.439 -37.713 52 HD2 HIS 7 HD2 HIS 7 -40.323 -16.133 -33.636 53 HE1 HIS 7 HE1 HIS 7 -39.109 -17.350 -37.508 54 HE2 HIS 7 HE2 HIS 7 -39.028 -17.865 -35.051 55 H HIS 8 H HIS 8 -38.947 -11.817 -34.860 56 HA HIS 8 HA HIS 8 -37.938 -12.413 -37.502 57 HB2 HIS 8 2HB HIS 8 -38.989 -9.738 -36.849 58 HB3 HIS 8 3HB HIS 8 -37.344 -9.712 -37.476 59 HD1 HIS 8 HD1 HIS 8 -40.792 -10.962 -38.445 60 HD2 HIS 8 HD2 HIS 8 -37.156 -9.993 -40.198 61 HE1 HIS 8 HE1 HIS 8 -41.201 -11.042 -40.915 62 HE2 HIS 8 HE2 HIS 8 -38.992 -10.441 -41.959 63 H SER 9 H SER 9 -35.866 -12.910 -37.312 64 HA SER 9 HA SER 9 -34.474 -12.570 -34.833 65 HB2 SER 9 2HB SER 9 -32.627 -13.758 -35.992 66 HB3 SER 9 3HB SER 9 -34.170 -14.592 -36.157 67 HG SER 9 HG SER 9 -32.983 -14.444 -38.136 68 H HIS 10 H HIS 10 -32.417 -11.557 -34.521 69 HA HIS 10 HA HIS 10 -31.508 -9.620 -36.515 70 HB2 HIS 10 2HB HIS 10 -31.514 -7.737 -35.010 71 HB3 HIS 10 3HB HIS 10 -33.136 -8.417 -35.024 72 HD1 HIS 10 HD1 HIS 10 -33.731 -9.959 -32.872 73 HD2 HIS 10 HD2 HIS 10 -30.382 -7.526 -32.531 74 HE1 HIS 10 HE1 HIS 10 -33.247 -9.824 -30.418 75 HE2 HIS 10 HE2 HIS 10 -31.098 -8.535 -30.262 76 H MET 11 H MET 11 -29.292 -9.127 -36.353 77 HA MET 11 HA MET 11 -27.751 -11.023 -34.784 78 HB2 MET 11 2HB MET 11 -26.879 -8.920 -36.775 79 HB3 MET 11 3HB MET 11 -25.808 -10.099 -36.027 80 HG2 MET 11 2HG MET 11 -27.122 -11.912 -37.045 81 HG3 MET 11 3HG MET 11 -28.141 -10.708 -37.833 82 HE1 MET 11 3HE MET 11 -27.654 -11.890 -40.172 83 HE2 MET 11 1HE MET 11 -26.623 -13.070 -39.363 84 HE3 MET 11 2HE MET 11 -26.029 -12.206 -40.781 85 H ALA 12 H ALA 12 -25.537 -10.005 -33.941 86 HA ALA 12 HA ALA 12 -24.451 -8.759 -32.383 87 HB1 ALA 12 3HB ALA 12 -25.017 -6.818 -33.770 88 HB2 ALA 12 1HB ALA 12 -25.024 -6.414 -32.054 89 HB3 ALA 12 2HB ALA 12 -26.548 -6.649 -32.910 90 H ASN 13 H ASN 13 -24.789 -7.681 -30.156 91 HA ASN 13 HA ASN 13 -27.147 -8.834 -28.820 92 HB2 ASN 13 2HB ASN 13 -25.684 -9.562 -26.940 93 HB3 ASN 13 3HB ASN 13 -25.354 -10.406 -28.449 94 HD21 ASN 13 1HD2 ASN 13 -23.447 -9.896 -29.595 95 HD22 ASN 13 2HD2 ASN 13 -22.103 -9.154 -28.801 96 H GLY 14 H GLY 14 -28.229 -7.347 -27.724 97 HA2 GLY 14 2HA GLY 14 -27.008 -4.886 -26.810 98 HA3 GLY 14 3HA GLY 14 -28.676 -5.388 -26.557 99 H ALA 15 H ALA 15 -25.358 -6.039 -25.507 100 HA ALA 15 HA ALA 15 -25.979 -7.725 -23.355 101 HB1 ALA 15 3HB ALA 15 -23.761 -7.571 -24.400 102 HB2 ALA 15 1HB ALA 15 -23.687 -7.401 -22.645 103 HB3 ALA 15 2HB ALA 15 -23.541 -5.977 -23.676 104 H ALA 16 H ALA 16 -27.508 -6.990 -21.955 105 HA ALA 16 HA ALA 16 -27.026 -4.464 -20.520 106 HB1 ALA 16 3HB ALA 16 -29.350 -4.610 -19.802 107 HB2 ALA 16 1HB ALA 16 -29.508 -6.186 -20.577 108 HB3 ALA 16 2HB ALA 16 -29.240 -4.746 -21.558 109 H GLY 17 H GLY 17 -26.334 -4.482 -18.463 110 HA2 GLY 17 2HA GLY 17 -25.627 -6.946 -17.179 111 HA3 GLY 17 3HA GLY 17 -25.427 -5.333 -16.518 112 H THR 18 H THR 18 -28.529 -5.241 -17.241 113 HA THR 18 HA THR 18 -29.518 -5.324 -14.652 114 HB THR 18 HB THR 18 -31.140 -5.868 -17.154 115 HG1 THR 18 HG1 THR 18 -30.871 -3.309 -15.985 116 HG21 THR 18 3HG2 THR 18 -32.987 -4.838 -15.902 117 HG22 THR 18 1HG2 THR 18 -31.942 -4.679 -14.489 118 HG23 THR 18 2HG2 THR 18 -32.388 -6.280 -15.083 119 H LYS 19 H LYS 19 -29.218 -7.983 -16.945 120 HA LYS 19 HA LYS 19 -30.970 -9.749 -15.509 121 HB2 LYS 19 2HB LYS 19 -30.167 -11.483 -17.062 122 HB3 LYS 19 3HB LYS 19 -30.703 -10.030 -17.894 123 HG2 LYS 19 2HG LYS 19 -28.411 -9.342 -18.257 124 HG3 LYS 19 3HG LYS 19 -27.820 -10.713 -17.316 125 HD2 LYS 19 2HD LYS 19 -27.631 -11.138 -19.724 126 HD3 LYS 19 3HD LYS 19 -28.754 -12.262 -18.961 127 HE2 LYS 19 2HE LYS 19 -30.641 -10.885 -19.750 128 HE3 LYS 19 3HE LYS 19 -29.502 -9.791 -20.532 129 HZ1 LYS 19 3HZ LYS 19 -30.470 -11.397 -22.074 130 HZ2 LYS 19 1HZ LYS 19 -29.823 -12.668 -21.172 131 HZ3 LYS 19 2HZ LYS 19 -28.792 -11.588 -21.961 132 H VAL 20 H VAL 20 -27.868 -8.713 -14.826 133 HA VAL 20 HA VAL 20 -27.031 -11.216 -13.540 134 HB VAL 20 HB VAL 20 -25.494 -8.607 -13.572 135 HG11 VAL 20 1HG1 VAL 20 -23.535 -10.040 -13.263 136 HG12 VAL 20 2HG1 VAL 20 -24.565 -11.470 -13.294 137 HG13 VAL 20 3HG1 VAL 20 -24.716 -10.307 -11.977 138 HG21 VAL 20 3HG2 VAL 20 -24.293 -9.436 -15.552 139 HG22 VAL 20 1HG2 VAL 20 -26.004 -9.171 -15.890 140 HG23 VAL 20 2HG2 VAL 20 -25.397 -10.809 -15.643 141 H ALA 21 H ALA 21 -29.335 -9.742 -12.556 142 HA ALA 21 HA ALA 21 -28.837 -8.108 -10.349 143 HB1 ALA 21 3HB ALA 21 -31.116 -8.566 -9.671 144 HB2 ALA 21 1HB ALA 21 -31.170 -9.984 -10.721 145 HB3 ALA 21 2HB ALA 21 -31.035 -8.372 -11.423 146 H LEU 22 H LEU 22 -28.510 -11.549 -10.633 147 HA LEU 22 HA LEU 22 -28.630 -12.091 -7.803 148 HB2 LEU 22 2HB LEU 22 -27.656 -13.796 -10.101 149 HB3 LEU 22 3HB LEU 22 -27.837 -14.357 -8.446 150 HG LEU 22 HG LEU 22 -30.064 -13.431 -10.276 151 HD11 LEU 22 1HD1 LEU 22 -30.807 -15.750 -10.181 152 HD12 LEU 22 2HD1 LEU 22 -29.411 -16.171 -9.188 153 HD13 LEU 22 3HD1 LEU 22 -29.182 -15.632 -10.852 154 HD21 LEU 22 3HD2 LEU 22 -31.580 -14.137 -8.475 155 HD22 LEU 22 1HD2 LEU 22 -30.548 -12.798 -7.978 156 HD23 LEU 22 2HD2 LEU 22 -30.193 -14.436 -7.427 157 H ARG 23 H ARG 23 -26.450 -10.323 -9.323 158 HA ARG 23 HA ARG 23 -23.956 -11.453 -8.584 159 HB2 ARG 23 2HB ARG 23 -24.146 -9.756 -10.346 160 HB3 ARG 23 3HB ARG 23 -24.697 -8.576 -9.166 161 HG2 ARG 23 2HG ARG 23 -22.533 -8.656 -8.043 162 HG3 ARG 23 3HG ARG 23 -21.977 -9.885 -9.183 163 HD2 ARG 23 2HD ARG 23 -22.172 -8.330 -11.023 164 HD3 ARG 23 3HD ARG 23 -22.877 -7.110 -9.963 165 HE ARG 23 HE ARG 23 -20.514 -7.546 -8.789 166 HH11 ARG 23 1HH1 ARG 23 -21.333 -6.978 -12.083 167 HH12 ARG 23 2HH1 ARG 23 -19.844 -6.179 -12.436 168 HH21 ARG 23 1HH2 ARG 23 -18.607 -6.521 -9.241 169 HH22 ARG 23 2HH2 ARG 23 -18.313 -5.918 -10.839 170 H LYS 24 H LYS 24 -24.697 -12.081 -6.438 171 HA LYS 24 HA LYS 24 -24.436 -9.957 -4.401 172 HB2 LYS 24 2HB LYS 24 -25.514 -12.776 -4.154 173 HB3 LYS 24 3HB LYS 24 -25.482 -11.576 -2.867 174 HG2 LYS 24 2HG LYS 24 -27.109 -10.238 -3.924 175 HG3 LYS 24 3HG LYS 24 -26.933 -11.091 -5.458 176 HD2 LYS 24 2HD LYS 24 -28.032 -12.301 -2.914 177 HD3 LYS 24 3HD LYS 24 -29.004 -11.706 -4.260 178 HE2 LYS 24 2HE LYS 24 -28.009 -13.355 -5.744 179 HE3 LYS 24 3HE LYS 24 -26.951 -13.916 -4.451 180 HZ1 LYS 24 3HZ LYS 24 -28.859 -15.364 -4.756 181 HZ2 LYS 24 1HZ LYS 24 -29.916 -14.084 -4.435 182 HZ3 LYS 24 2HZ LYS 24 -28.886 -14.647 -3.225 183 H THR 25 H THR 25 -23.087 -12.964 -5.554 184 HA THR 25 HA THR 25 -20.810 -12.724 -3.695 185 HB THR 25 HB THR 25 -20.754 -15.211 -3.465 186 HG1 THR 25 HG1 THR 25 -22.201 -16.440 -4.441 187 HG21 THR 25 3HG2 THR 25 -23.316 -13.929 -2.487 188 HG22 THR 25 1HG2 THR 25 -21.746 -13.851 -1.685 189 HG23 THR 25 2HG2 THR 25 -22.581 -15.397 -1.839 190 H LYS 26 H LYS 26 -19.012 -14.355 -4.432 191 HA LYS 26 HA LYS 26 -18.199 -13.697 -7.048 192 HB2 LYS 26 2HB LYS 26 -17.230 -15.899 -5.218 193 HB3 LYS 26 3HB LYS 26 -16.446 -15.464 -6.722 194 HG2 LYS 26 2HG LYS 26 -16.072 -13.179 -5.827 195 HG3 LYS 26 3HG LYS 26 -16.743 -13.717 -4.283 196 HD2 LYS 26 2HD LYS 26 -14.970 -15.305 -3.984 197 HD3 LYS 26 3HD LYS 26 -14.387 -15.048 -5.629 198 HE2 LYS 26 2HE LYS 26 -12.934 -13.906 -4.073 199 HE3 LYS 26 3HE LYS 26 -13.816 -12.717 -5.028 200 HZ1 LYS 26 3HZ LYS 26 -14.379 -13.527 -2.227 201 HZ2 LYS 26 1HZ LYS 26 -15.369 -12.498 -3.135 202 HZ3 LYS 26 2HZ LYS 26 -13.789 -12.036 -2.758 203 H GLN 27 H GLN 27 -17.865 -15.051 -8.892 204 HA GLN 27 HA GLN 27 -19.623 -17.413 -9.052 205 HB2 GLN 27 2HB GLN 27 -20.137 -16.754 -11.422 206 HB3 GLN 27 3HB GLN 27 -20.808 -15.683 -10.200 207 HG2 GLN 27 2HG GLN 27 -19.061 -14.052 -10.625 208 HG3 GLN 27 3HG GLN 27 -18.292 -15.142 -11.779 209 HE21 GLN 27 1HE2 GLN 27 -19.195 -15.411 -13.807 210 HE22 GLN 27 2HE2 GLN 27 -20.429 -14.372 -14.420 211 H ALA 28 H ALA 28 -16.969 -15.753 -10.809 212 HA ALA 28 HA ALA 28 -15.352 -18.095 -10.873 213 HB1 ALA 28 3HB ALA 28 -16.622 -17.274 -13.495 214 HB2 ALA 28 1HB ALA 28 -16.967 -18.755 -12.599 215 HB3 ALA 28 2HB ALA 28 -15.367 -18.497 -13.290 216 H ALA 29 H ALA 29 -13.240 -17.652 -11.524 217 HA ALA 29 HA ALA 29 -12.194 -15.186 -11.027 218 HB1 ALA 29 3HB ALA 29 -10.883 -17.255 -11.156 219 HB2 ALA 29 1HB ALA 29 -10.126 -15.935 -12.048 220 HB3 ALA 29 2HB ALA 29 -10.988 -17.206 -12.916 221 H GLU 30 H GLU 30 -13.288 -16.328 -14.191 222 HA GLU 30 HA GLU 30 -12.138 -14.392 -15.830 223 HB2 GLU 30 2HB GLU 30 -14.773 -15.837 -16.131 224 HB3 GLU 30 3HB GLU 30 -14.024 -14.883 -17.404 225 HG2 GLU 30 2HG GLU 30 -12.873 -17.352 -16.113 226 HG3 GLU 30 3HG GLU 30 -13.597 -17.249 -17.719 227 H LYS 31 H LYS 31 -14.952 -14.112 -13.765 228 HA LYS 31 HA LYS 31 -15.511 -11.418 -14.835 229 HB2 LYS 31 2HB LYS 31 -17.381 -13.063 -14.854 230 HB3 LYS 31 3HB LYS 31 -17.267 -13.185 -13.105 231 HG2 LYS 31 2HG LYS 31 -19.097 -11.749 -13.655 232 HG3 LYS 31 3HG LYS 31 -17.816 -10.769 -12.945 233 HD2 LYS 31 2HD LYS 31 -18.603 -9.516 -14.781 234 HD3 LYS 31 3HD LYS 31 -17.098 -10.241 -15.339 235 HE2 LYS 31 2HE LYS 31 -19.849 -11.356 -15.899 236 HE3 LYS 31 3HE LYS 31 -18.952 -10.323 -17.007 237 HZ1 LYS 31 3HZ LYS 31 -18.201 -13.044 -16.100 238 HZ2 LYS 31 1HZ LYS 31 -17.188 -12.041 -17.012 239 HZ3 LYS 31 2HZ LYS 31 -18.654 -12.571 -17.655 240 H ILE 32 H ILE 32 -14.150 -13.027 -12.160 241 HA ILE 32 HA ILE 32 -14.805 -10.957 -10.202 242 HB ILE 32 HB ILE 32 -13.102 -13.442 -9.878 243 HG12 ILE 32 2HG1 ILE 32 -15.971 -13.009 -8.996 244 HG13 ILE 32 3HG1 ILE 32 -15.517 -13.868 -10.466 245 HG21 ILE 32 1HG2 ILE 32 -12.584 -11.725 -8.221 246 HG22 ILE 32 2HG2 ILE 32 -13.418 -13.080 -7.466 247 HG23 ILE 32 3HG2 ILE 32 -14.293 -11.586 -7.805 248 HD11 ILE 32 3HD1 ILE 32 -14.784 -14.652 -7.654 249 HD12 ILE 32 1HD1 ILE 32 -14.309 -15.511 -9.122 250 HD13 ILE 32 2HD1 ILE 32 -16.011 -15.411 -8.670 251 H SER 33 H SER 33 -13.323 -9.540 -9.285 252 HA SER 33 HA SER 33 -10.851 -9.085 -10.742 253 HB2 SER 33 2HB SER 33 -10.632 -7.078 -9.304 254 HB3 SER 33 3HB SER 33 -12.199 -7.146 -10.108 255 HG SER 33 HG SER 33 -11.998 -6.687 -7.683 256 H ALA 34 H ALA 34 -11.813 -9.981 -7.442 257 HA ALA 34 HA ALA 34 -9.399 -9.955 -6.124 258 HB1 ALA 34 3HB ALA 34 -11.603 -11.993 -5.791 259 HB2 ALA 34 1HB ALA 34 -11.545 -10.400 -5.038 260 HB3 ALA 34 2HB ALA 34 -10.348 -11.622 -4.608 261 H ASP 35 H ASP 35 -10.783 -12.915 -7.602 262 HA ASP 35 HA ASP 35 -8.490 -14.506 -7.392 263 HB2 ASP 35 2HB ASP 35 -10.739 -14.658 -9.421 264 HB3 ASP 35 3HB ASP 35 -9.589 -15.949 -9.083 265 H LYS 36 H LYS 36 -9.164 -11.940 -9.572 266 HA LYS 36 HA LYS 36 -7.490 -12.894 -11.735 267 HB2 LYS 36 2HB LYS 36 -9.550 -11.636 -12.183 268 HB3 LYS 36 3HB LYS 36 -8.908 -10.249 -11.322 269 HG2 LYS 36 2HG LYS 36 -7.387 -11.292 -13.669 270 HG3 LYS 36 3HG LYS 36 -8.871 -10.386 -13.954 271 HD2 LYS 36 2HD LYS 36 -7.937 -8.528 -12.580 272 HD3 LYS 36 3HD LYS 36 -6.426 -9.431 -12.453 273 HE2 LYS 36 2HE LYS 36 -7.702 -8.474 -15.017 274 HE3 LYS 36 3HE LYS 36 -6.323 -7.728 -14.214 275 HZ1 LYS 36 3HZ LYS 36 -5.053 -9.742 -14.580 276 HZ2 LYS 36 1HZ LYS 36 -5.648 -9.148 -16.047 277 HZ3 LYS 36 2HZ LYS 36 -6.381 -10.486 -15.323 278 H ILE 37 H ILE 37 -7.036 -10.955 -8.898 279 HA ILE 37 HA ILE 37 -4.999 -9.226 -9.802 280 HB ILE 37 HB ILE 37 -5.346 -10.277 -6.984 281 HG12 ILE 37 2HG1 ILE 37 -7.443 -9.315 -7.773 282 HG13 ILE 37 3HG1 ILE 37 -6.695 -8.224 -6.612 283 HG21 ILE 37 1HG2 ILE 37 -4.255 -8.170 -6.324 284 HG22 ILE 37 2HG2 ILE 37 -4.009 -7.773 -8.024 285 HG23 ILE 37 3HG2 ILE 37 -3.202 -9.175 -7.321 286 HD11 ILE 37 3HD1 ILE 37 -7.651 -7.006 -8.478 287 HD12 ILE 37 1HD1 ILE 37 -6.649 -7.916 -9.609 288 HD13 ILE 37 2HD1 ILE 37 -5.898 -6.820 -8.447 289 H SER 38 H SER 38 -2.874 -9.474 -10.176 290 HA SER 38 HA SER 38 -1.587 -12.032 -9.442 291 HB2 SER 38 2HB SER 38 -0.984 -10.263 -11.830 292 HB3 SER 38 3HB SER 38 -0.174 -11.780 -11.440 293 HG SER 38 HG SER 38 -2.106 -12.872 -11.799 294 H LYS 39 H LYS 39 0.865 -11.861 -9.360 295 HA LYS 39 HA LYS 39 1.584 -10.244 -7.215 296 HB2 LYS 39 2HB LYS 39 2.763 -12.291 -7.701 297 HB3 LYS 39 3HB LYS 39 3.318 -11.662 -9.246 298 HG2 LYS 39 2HG LYS 39 4.638 -9.946 -8.023 299 HG3 LYS 39 3HG LYS 39 4.146 -10.706 -6.507 300 HD2 LYS 39 2HD LYS 39 5.261 -12.766 -7.127 301 HD3 LYS 39 3HD LYS 39 5.649 -12.120 -8.723 302 HE2 LYS 39 2HE LYS 39 7.018 -10.358 -7.613 303 HE3 LYS 39 3HE LYS 39 6.706 -11.144 -6.066 304 HZ1 LYS 39 3HZ LYS 39 8.846 -11.776 -7.042 305 HZ2 LYS 39 1HZ LYS 39 8.049 -12.434 -8.381 306 HZ3 LYS 39 2HZ LYS 39 7.826 -13.110 -6.847 307 H GLU 40 H GLU 40 2.823 -9.870 -10.578 308 HA GLU 40 HA GLU 40 4.203 -7.470 -9.940 309 HB2 GLU 40 2HB GLU 40 4.729 -7.273 -12.273 310 HB3 GLU 40 3HB GLU 40 4.856 -8.962 -11.816 311 HG2 GLU 40 2HG GLU 40 2.519 -7.728 -13.266 312 HG3 GLU 40 3HG GLU 40 3.828 -8.627 -14.028 313 H ALA 41 H ALA 41 1.002 -8.091 -11.276 314 HA ALA 41 HA ALA 41 0.285 -5.526 -12.096 315 HB1 ALA 41 3HB ALA 41 -2.027 -6.213 -11.741 316 HB2 ALA 41 1HB ALA 41 -1.490 -7.570 -10.751 317 HB3 ALA 41 2HB ALA 41 -1.098 -7.522 -12.470 318 H LEU 42 H LEU 42 0.068 -6.976 -8.852 319 HA LEU 42 HA LEU 42 -0.965 -4.630 -7.594 320 HB2 LEU 42 2HB LEU 42 -1.224 -6.962 -6.749 321 HB3 LEU 42 3HB LEU 42 0.481 -6.980 -6.352 322 HG LEU 42 HG LEU 42 -1.360 -4.925 -5.126 323 HD11 LEU 42 1HD1 LEU 42 -2.390 -7.096 -4.706 324 HD12 LEU 42 2HD1 LEU 42 -1.703 -6.433 -3.225 325 HD13 LEU 42 3HD1 LEU 42 -0.859 -7.720 -4.089 326 HD21 LEU 42 3HD2 LEU 42 0.291 -5.010 -3.287 327 HD22 LEU 42 1HD2 LEU 42 1.032 -4.554 -4.822 328 HD23 LEU 42 2HD2 LEU 42 1.232 -6.191 -4.200 329 H LEU 43 H LEU 43 2.291 -6.058 -7.799 330 HA LEU 43 HA LEU 43 3.638 -4.259 -6.148 331 HB2 LEU 43 2HB LEU 43 4.663 -5.759 -8.561 332 HB3 LEU 43 3HB LEU 43 5.687 -4.931 -7.402 333 HG LEU 43 HG LEU 43 3.898 -7.300 -6.817 334 HD11 LEU 43 1HD1 LEU 43 5.883 -7.892 -8.102 335 HD12 LEU 43 2HD1 LEU 43 5.984 -8.508 -6.453 336 HD13 LEU 43 3HD1 LEU 43 6.906 -7.077 -6.917 337 HD21 LEU 43 3HD2 LEU 43 4.944 -7.277 -4.588 338 HD22 LEU 43 1HD2 LEU 43 3.996 -5.823 -4.892 339 HD23 LEU 43 2HD2 LEU 43 5.756 -5.765 -4.994 340 H GLU 44 H GLU 44 3.105 -4.038 -9.676 341 HA GLU 44 HA GLU 44 4.501 -1.625 -10.086 342 HB2 GLU 44 2HB GLU 44 2.157 -2.823 -11.578 343 HB3 GLU 44 3HB GLU 44 3.026 -1.395 -12.124 344 HG2 GLU 44 2HG GLU 44 4.269 -4.110 -11.701 345 HG3 GLU 44 3HG GLU 44 3.732 -3.471 -13.254 346 H CYS 45 H CYS 45 1.039 -2.189 -9.431 347 HA CYS 45 HA CYS 45 0.194 0.474 -9.439 348 HB2 CYS 45 2HB CYS 45 -0.831 -1.891 -7.860 349 HB3 CYS 45 3HB CYS 45 -1.638 -0.326 -7.885 350 HG CYS 45 HG CYS 45 -1.499 -2.703 -10.282 351 H ALA 46 H ALA 46 1.645 -1.421 -6.825 352 HA ALA 46 HA ALA 46 1.445 0.632 -4.840 353 HB1 ALA 46 3HB ALA 46 2.932 -0.769 -3.519 354 HB2 ALA 46 1HB ALA 46 3.311 -1.744 -4.941 355 HB3 ALA 46 2HB ALA 46 1.678 -1.754 -4.274 356 H ASP 47 H ASP 47 4.018 -0.426 -7.045 357 HA ASP 47 HA ASP 47 6.112 1.151 -6.090 358 HB2 ASP 47 2HB ASP 47 6.269 -0.722 -7.762 359 HB3 ASP 47 3HB ASP 47 5.635 0.379 -8.980 360 H LEU 48 H LEU 48 3.435 1.962 -8.208 361 HA LEU 48 HA LEU 48 4.209 4.457 -9.155 362 HB2 LEU 48 2HB LEU 48 1.486 3.467 -8.302 363 HB3 LEU 48 3HB LEU 48 1.738 5.008 -9.103 364 HG LEU 48 HG LEU 48 2.411 2.302 -10.285 365 HD11 LEU 48 1HD1 LEU 48 0.519 2.706 -11.779 366 HD12 LEU 48 2HD1 LEU 48 0.145 4.198 -10.916 367 HD13 LEU 48 3HD1 LEU 48 -0.001 2.643 -10.095 368 HD21 LEU 48 3HD2 LEU 48 2.516 5.078 -11.482 369 HD22 LEU 48 1HD2 LEU 48 2.771 3.571 -12.364 370 HD23 LEU 48 2HD2 LEU 48 3.898 4.053 -11.097 371 H LEU 49 H LEU 49 2.810 3.636 -5.985 372 HA LEU 49 HA LEU 49 2.587 6.319 -5.064 373 HB2 LEU 49 2HB LEU 49 2.760 3.703 -3.564 374 HB3 LEU 49 3HB LEU 49 2.556 5.248 -2.762 375 HG LEU 49 HG LEU 49 0.426 5.558 -4.090 376 HD11 LEU 49 1HD1 LEU 49 0.832 2.637 -4.732 377 HD12 LEU 49 2HD1 LEU 49 0.867 3.972 -5.885 378 HD13 LEU 49 3HD1 LEU 49 -0.630 3.574 -5.043 379 HD21 LEU 49 3HD2 LEU 49 0.411 4.874 -1.745 380 HD22 LEU 49 1HD2 LEU 49 0.545 3.183 -2.228 381 HD23 LEU 49 2HD2 LEU 49 -0.900 4.108 -2.642 382 H SER 50 H SER 50 5.045 3.799 -4.419 383 HA SER 50 HA SER 50 6.719 5.329 -2.783 384 HB2 SER 50 2HB SER 50 8.507 3.717 -3.353 385 HB3 SER 50 3HB SER 50 6.984 2.902 -3.007 386 HG SER 50 HG SER 50 7.920 2.030 -4.865 387 H SER 51 H SER 51 6.728 4.987 -6.315 388 HA SER 51 HA SER 51 8.982 6.649 -6.793 389 HB2 SER 51 2HB SER 51 8.119 5.098 -8.502 390 HB3 SER 51 3HB SER 51 6.632 6.039 -8.615 391 HG SER 51 HG SER 51 9.218 6.643 -9.528 392 H ALA 52 H ALA 52 5.487 7.319 -6.801 393 HA ALA 52 HA ALA 52 5.642 9.994 -7.660 394 HB1 ALA 52 3HB ALA 52 3.330 10.188 -6.933 395 HB2 ALA 52 1HB ALA 52 3.479 8.698 -5.999 396 HB3 ALA 52 2HB ALA 52 3.594 8.651 -7.759 397 H LEU 53 H LEU 53 5.744 8.630 -4.390 398 HA LEU 53 HA LEU 53 5.310 10.986 -2.936 399 HB2 LEU 53 2HB LEU 53 6.884 8.512 -2.216 400 HB3 LEU 53 3HB LEU 53 6.502 9.787 -1.074 401 HG LEU 53 HG LEU 53 4.444 8.117 -2.537 402 HD11 LEU 53 1HD1 LEU 53 5.410 7.938 0.318 403 HD12 LEU 53 2HD1 LEU 53 5.702 6.757 -0.958 404 HD13 LEU 53 3HD1 LEU 53 4.062 7.034 -0.374 405 HD21 LEU 53 3HD2 LEU 53 2.857 9.111 -0.950 406 HD22 LEU 53 1HD2 LEU 53 3.618 10.338 -1.961 407 HD23 LEU 53 2HD2 LEU 53 4.146 10.119 -0.293 408 H THR 54 H THR 54 8.160 9.947 -4.632 409 HA THR 54 HA THR 54 9.971 11.658 -3.141 410 HB THR 54 HB THR 54 11.709 10.957 -4.661 411 HG1 THR 54 HG1 THR 54 9.939 9.390 -6.189 412 HG21 THR 54 3HG2 THR 54 11.088 9.344 -2.934 413 HG22 THR 54 1HG2 THR 54 11.595 8.511 -4.405 414 HG23 THR 54 2HG2 THR 54 9.881 8.637 -4.008 415 H GLU 55 H GLU 55 7.875 12.037 -5.824 416 HA GLU 55 HA GLU 55 9.182 14.584 -6.575 417 HB2 GLU 55 2HB GLU 55 8.078 14.348 -8.771 418 HB3 GLU 55 3HB GLU 55 9.154 12.999 -8.433 419 HG2 GLU 55 2HG GLU 55 7.267 11.584 -7.874 420 HG3 GLU 55 3HG GLU 55 6.156 12.936 -8.087 421 HA PRO 56 HA PRO 56 5.575 16.840 -5.250 422 HB2 PRO 56 2HB PRO 56 5.505 18.243 -7.877 423 HB3 PRO 56 3HB PRO 56 5.652 18.911 -6.247 424 HG2 PRO 56 2HG PRO 56 7.750 18.851 -7.898 425 HG3 PRO 56 3HG PRO 56 7.944 18.544 -6.162 426 HD2 PRO 56 2HD PRO 56 7.878 16.589 -8.436 427 HD3 PRO 56 3HD PRO 56 8.917 16.606 -6.993 428 H VAL 57 H VAL 57 3.618 15.910 -5.148 429 HA VAL 57 HA VAL 57 2.049 15.494 -7.592 430 HB VAL 57 HB VAL 57 1.274 13.264 -6.765 431 HG11 VAL 57 1HG1 VAL 57 2.938 13.378 -8.531 432 HG12 VAL 57 2HG1 VAL 57 3.261 12.004 -7.474 433 HG13 VAL 57 3HG1 VAL 57 4.233 13.469 -7.336 434 HG21 VAL 57 3HG2 VAL 57 2.609 12.075 -5.093 435 HG22 VAL 57 1HG2 VAL 57 1.867 13.521 -4.410 436 HG23 VAL 57 2HG2 VAL 57 3.581 13.524 -4.829 437 HA PRO 58 HA PRO 58 -1.257 17.042 -5.038 438 HB2 PRO 58 2HB PRO 58 -3.275 15.535 -6.492 439 HB3 PRO 58 3HB PRO 58 -2.913 17.260 -6.567 440 HG2 PRO 58 2HG PRO 58 -2.432 15.509 -8.611 441 HG3 PRO 58 3HG PRO 58 -1.538 17.020 -8.373 442 HD2 PRO 58 2HD PRO 58 -0.734 14.213 -7.706 443 HD3 PRO 58 3HD PRO 58 0.253 15.553 -8.331 444 H ASN 59 H ASN 59 -2.503 16.508 -3.283 445 HA ASN 59 HA ASN 59 -2.146 14.113 -1.920 446 HB2 ASN 59 2HB ASN 59 -2.877 16.223 -0.862 447 HB3 ASN 59 3HB ASN 59 -4.445 16.075 -1.649 448 HD21 ASN 59 1HD2 ASN 59 -2.386 14.888 0.874 449 HD22 ASN 59 2HD2 ASN 59 -3.598 13.977 1.699 450 H SER 60 H SER 60 -4.764 15.077 -4.092 451 HA SER 60 HA SER 60 -6.541 12.950 -3.636 452 HB2 SER 60 2HB SER 60 -7.465 13.523 -5.881 453 HB3 SER 60 3HB SER 60 -7.228 14.941 -4.860 454 HG SER 60 HG SER 60 -6.322 14.619 -7.271 455 H GLN 61 H GLN 61 -4.062 13.335 -6.155 456 HA GLN 61 HA GLN 61 -4.363 10.924 -7.482 457 HB2 GLN 61 2HB GLN 61 -2.908 12.785 -8.235 458 HB3 GLN 61 3HB GLN 61 -1.767 12.401 -6.954 459 HG2 GLN 61 2HG GLN 61 -1.382 10.196 -7.963 460 HG3 GLN 61 3HG GLN 61 -2.514 10.598 -9.253 461 HE21 GLN 61 1HE2 GLN 61 0.647 11.165 -7.942 462 HE22 GLN 61 2HE2 GLN 61 1.279 12.005 -9.308 463 H LEU 62 H LEU 62 -2.387 11.626 -4.608 464 HA LEU 62 HA LEU 62 -1.201 9.079 -4.366 465 HB2 LEU 62 2HB LEU 62 -1.794 11.190 -2.291 466 HB3 LEU 62 3HB LEU 62 -0.858 9.742 -1.959 467 HG LEU 62 HG LEU 62 -0.109 11.873 -3.968 468 HD11 LEU 62 1HD1 LEU 62 1.657 12.468 -2.405 469 HD12 LEU 62 2HD1 LEU 62 1.078 11.256 -1.262 470 HD13 LEU 62 3HD1 LEU 62 0.074 12.653 -1.650 471 HD21 LEU 62 3HD2 LEU 62 2.032 10.665 -4.089 472 HD22 LEU 62 1HD2 LEU 62 0.683 9.672 -4.637 473 HD23 LEU 62 2HD2 LEU 62 1.376 9.412 -3.037 474 H VAL 63 H VAL 63 -4.060 10.425 -2.686 475 HA VAL 63 HA VAL 63 -4.597 8.111 -1.162 476 HB VAL 63 HB VAL 63 -6.558 10.274 -1.975 477 HG11 VAL 63 1HG1 VAL 63 -7.787 9.621 0.045 478 HG12 VAL 63 2HG1 VAL 63 -6.627 8.327 0.340 479 HG13 VAL 63 3HG1 VAL 63 -7.663 8.274 -1.086 480 HG21 VAL 63 3HG2 VAL 63 -5.981 11.346 0.145 481 HG22 VAL 63 1HG2 VAL 63 -4.557 11.194 -0.885 482 HG23 VAL 63 2HG2 VAL 63 -4.787 10.089 0.471 483 H ASP 64 H ASP 64 -6.024 9.215 -4.257 484 HA ASP 64 HA ASP 64 -7.780 6.990 -4.472 485 HB2 ASP 64 2HB ASP 64 -6.885 9.121 -6.378 486 HB3 ASP 64 3HB ASP 64 -7.799 7.739 -6.979 487 H THR 65 H THR 65 -4.527 7.571 -5.833 488 HA THR 65 HA THR 65 -4.376 5.086 -7.204 489 HB THR 65 HB THR 65 -2.087 6.704 -6.035 490 HG1 THR 65 HG1 THR 65 -2.540 8.014 -7.627 491 HG21 THR 65 3HG2 THR 65 -1.442 4.381 -6.571 492 HG22 THR 65 1HG2 THR 65 -0.676 5.543 -7.656 493 HG23 THR 65 2HG2 THR 65 -2.059 4.599 -8.210 494 H GLY 66 H GLY 66 -3.966 5.986 -3.848 495 HA2 GLY 66 2HA GLY 66 -2.913 3.469 -2.974 496 HA3 GLY 66 3HA GLY 66 -3.659 4.693 -1.960 497 H HIS 67 H HIS 67 -6.188 4.757 -3.366 498 HA HIS 67 HA HIS 67 -7.663 2.869 -1.967 499 HB2 HIS 67 2HB HIS 67 -8.361 4.349 -4.512 500 HB3 HIS 67 3HB HIS 67 -9.515 3.365 -3.621 501 HD1 HIS 67 HD1 HIS 67 -9.596 6.556 -4.096 502 HD2 HIS 67 HD2 HIS 67 -8.566 4.554 -0.600 503 HE1 HIS 67 HE1 HIS 67 -10.043 8.175 -2.236 504 HE2 HIS 67 HE2 HIS 67 -9.545 6.897 -0.131 505 H GLN 68 H GLN 68 -6.639 2.692 -5.388 506 HA GLN 68 HA GLN 68 -7.838 0.240 -5.994 507 HB2 GLN 68 2HB GLN 68 -6.178 0.072 -7.836 508 HB3 GLN 68 3HB GLN 68 -6.977 1.635 -7.763 509 HG2 GLN 68 2HG GLN 68 -5.023 2.606 -6.689 510 HG3 GLN 68 3HG GLN 68 -4.223 1.036 -6.696 511 HE21 GLN 68 1HE2 GLN 68 -2.515 1.906 -7.905 512 HE22 GLN 68 2HE2 GLN 68 -2.676 2.229 -9.592 513 H LEU 69 H LEU 69 -4.726 0.912 -4.422 514 HA LEU 69 HA LEU 69 -3.708 -1.711 -4.466 515 HB2 LEU 69 2HB LEU 69 -3.224 0.683 -2.751 516 HB3 LEU 69 3HB LEU 69 -2.622 -0.865 -2.190 517 HG LEU 69 HG LEU 69 -0.878 0.350 -3.360 518 HD11 LEU 69 1HD1 LEU 69 -0.240 -1.358 -4.997 519 HD12 LEU 69 2HD1 LEU 69 -1.872 -2.024 -4.945 520 HD13 LEU 69 3HD1 LEU 69 -0.848 -2.078 -3.509 521 HD21 LEU 69 3HD2 LEU 69 -2.730 0.299 -5.747 522 HD22 LEU 69 1HD2 LEU 69 -1.052 0.845 -5.754 523 HD23 LEU 69 2HD2 LEU 69 -2.261 1.724 -4.819 524 H LEU 70 H LEU 70 -5.946 -0.141 -2.215 525 HA LEU 70 HA LEU 70 -6.161 -2.252 -0.366 526 HB2 LEU 70 2HB LEU 70 -7.938 0.020 -1.167 527 HB3 LEU 70 3HB LEU 70 -8.596 -1.239 -0.140 528 HG LEU 70 HG LEU 70 -7.810 0.693 1.157 529 HD11 LEU 70 1HD1 LEU 70 -6.219 -1.838 1.571 530 HD12 LEU 70 2HD1 LEU 70 -7.815 -1.468 2.227 531 HD13 LEU 70 3HD1 LEU 70 -6.407 -0.554 2.765 532 HD21 LEU 70 3HD2 LEU 70 -5.996 1.442 -0.302 533 HD22 LEU 70 1HD2 LEU 70 -5.066 -0.005 0.092 534 HD23 LEU 70 2HD2 LEU 70 -5.418 1.187 1.345 535 H ASP 71 H ASP 71 -7.958 -1.614 -3.365 536 HA ASP 71 HA ASP 71 -9.726 -3.808 -3.209 537 HB2 ASP 71 2HB ASP 71 -9.925 -1.813 -4.743 538 HB3 ASP 71 3HB ASP 71 -8.654 -2.521 -5.734 539 H TYR 72 H TYR 72 -6.689 -3.463 -5.059 540 HA TYR 72 HA TYR 72 -6.500 -6.083 -6.016 541 HB2 TYR 72 2HB TYR 72 -4.393 -3.996 -5.434 542 HB3 TYR 72 3HB TYR 72 -3.976 -5.570 -6.098 543 HD1 TYR 72 HD1 TYR 72 -6.707 -3.101 -6.841 544 HD2 TYR 72 HD2 TYR 72 -3.439 -5.386 -8.336 545 HE1 TYR 72 HE1 TYR 72 -7.161 -2.263 -9.104 546 HE2 TYR 72 HE2 TYR 72 -3.888 -4.555 -10.605 547 HH TYR 72 HH TYR 72 -6.041 -1.947 -11.208 548 H CYS 73 H CYS 73 -4.975 -4.683 -3.098 549 HA CYS 73 HA CYS 73 -3.727 -7.029 -2.197 550 HB2 CYS 73 2HB CYS 73 -4.705 -4.631 -0.634 551 HB3 CYS 73 3HB CYS 73 -3.699 -5.905 0.047 552 HG CYS 73 HG CYS 73 -2.842 -3.313 -1.872 553 H SER 74 H SER 74 -6.979 -5.774 -1.548 554 HA SER 74 HA SER 74 -7.824 -7.535 0.428 555 HB2 SER 74 2HB SER 74 -9.234 -5.686 -0.259 556 HB3 SER 74 3HB SER 74 -9.406 -6.363 -1.878 557 HG SER 74 HG SER 74 -11.220 -6.984 -0.831 558 H GLY 75 H GLY 75 -8.059 -7.967 -3.101 559 HA2 GLY 75 2HA GLY 75 -9.082 -10.646 -2.856 560 HA3 GLY 75 3HA GLY 75 -8.600 -9.844 -4.342 561 H TYR 76 H TYR 76 -5.891 -9.253 -3.398 562 HA TYR 76 HA TYR 76 -4.701 -11.659 -4.351 563 HB2 TYR 76 2HB TYR 76 -3.851 -9.339 -4.821 564 HB3 TYR 76 3HB TYR 76 -3.258 -9.283 -3.163 565 HD1 TYR 76 HD2 TYR 76 -3.024 -11.303 -6.288 566 HD2 TYR 76 HD1 TYR 76 -1.098 -10.102 -2.683 567 HE1 TYR 76 HE2 TYR 76 -0.970 -12.436 -7.015 568 HE2 TYR 76 HE1 TYR 76 0.963 -11.237 -3.402 569 HH TYR 76 HH TYR 76 1.621 -13.073 -4.934 570 H VAL 77 H VAL 77 -4.882 -10.160 -1.137 571 HA VAL 77 HA VAL 77 -2.911 -11.668 0.138 572 HB VAL 77 HB VAL 77 -4.015 -9.688 1.151 573 HG11 VAL 77 1HG1 VAL 77 -6.296 -11.577 1.731 574 HG12 VAL 77 2HG1 VAL 77 -6.339 -10.210 0.616 575 HG13 VAL 77 3HG1 VAL 77 -6.129 -9.931 2.345 576 HG21 VAL 77 3HG2 VAL 77 -3.969 -10.508 3.452 577 HG22 VAL 77 1HG2 VAL 77 -2.642 -11.183 2.510 578 HG23 VAL 77 2HG2 VAL 77 -4.059 -12.170 2.872 579 H ASP 78 H ASP 78 -6.330 -12.430 -0.370 580 HA ASP 78 HA ASP 78 -6.417 -14.808 1.150 581 HB2 ASP 78 2HB ASP 78 -8.437 -13.638 0.485 582 HB3 ASP 78 3HB ASP 78 -8.066 -13.883 -1.218 583 H CYS 79 H CYS 79 -5.055 -14.102 -1.925 584 HA CYS 79 HA CYS 79 -4.962 -16.918 -2.744 585 HB2 CYS 79 2HB CYS 79 -4.124 -14.426 -4.248 586 HB3 CYS 79 3HB CYS 79 -4.190 -16.058 -4.909 587 HG CYS 79 HG CYS 79 -6.649 -13.826 -4.460 588 H ILE 80 H ILE 80 -3.142 -15.115 -0.753 589 HA ILE 80 HA ILE 80 -0.505 -15.677 -1.809 590 HB ILE 80 HB ILE 80 -1.386 -14.578 0.867 591 HG12 ILE 80 2HG1 ILE 80 -0.075 -13.275 -1.543 592 HG13 ILE 80 3HG1 ILE 80 -1.747 -13.064 -1.034 593 HG21 ILE 80 1HG2 ILE 80 0.703 -15.772 1.183 594 HG22 ILE 80 2HG2 ILE 80 0.995 -14.034 1.253 595 HG23 ILE 80 3HG2 ILE 80 1.419 -14.941 -0.199 596 HD11 ILE 80 3HD1 ILE 80 -0.420 -11.154 -0.399 597 HD12 ILE 80 1HD1 ILE 80 0.703 -12.189 0.482 598 HD13 ILE 80 2HD1 ILE 80 -0.961 -12.014 1.043 599 HA PRO 81 HA PRO 81 -0.474 -19.901 -0.286 600 HB2 PRO 81 2HB PRO 81 2.436 -19.689 -0.842 601 HB3 PRO 81 3HB PRO 81 1.250 -20.845 -1.458 602 HG2 PRO 81 2HG PRO 81 2.218 -18.910 -3.026 603 HG3 PRO 81 3HG PRO 81 0.517 -19.406 -3.128 604 HD2 PRO 81 2HD PRO 81 1.713 -17.004 -1.783 605 HD3 PRO 81 3HD PRO 81 0.236 -17.127 -2.763 606 H GLN 82 H GLN 82 2.414 -17.967 0.591 607 HA GLN 82 HA GLN 82 2.837 -19.441 3.014 608 HB2 GLN 82 2HB GLN 82 4.068 -16.815 2.152 609 HB3 GLN 82 3HB GLN 82 4.675 -17.892 3.404 610 HG2 GLN 82 2HG GLN 82 5.167 -19.595 1.754 611 HG3 GLN 82 3HG GLN 82 4.461 -18.600 0.479 612 HE21 GLN 82 1HE2 GLN 82 5.579 -16.755 -0.213 613 HE22 GLN 82 2HE2 GLN 82 7.262 -16.531 0.113 614 H THR 83 H THR 83 1.587 -19.201 4.779 615 HA THR 83 HA THR 83 -0.142 -17.033 5.261 616 HB THR 83 HB THR 83 0.943 -18.889 7.398 617 HG1 THR 83 HG1 THR 83 -0.849 -20.221 6.848 618 HG21 THR 83 3HG2 THR 83 -1.665 -17.368 7.161 619 HG22 THR 83 1HG2 THR 83 -0.335 -16.983 8.257 620 HG23 THR 83 2HG2 THR 83 -1.243 -18.482 8.464 621 H ARG 84 H ARG 84 3.182 -17.622 6.287 622 HA ARG 84 HA ARG 84 3.554 -15.604 8.157 623 HB2 ARG 84 2HB ARG 84 5.431 -16.577 5.989 624 HB3 ARG 84 3HB ARG 84 5.926 -15.541 7.322 625 HG2 ARG 84 2HG ARG 84 4.700 -18.271 7.703 626 HG3 ARG 84 3HG ARG 84 6.438 -17.980 7.600 627 HD2 ARG 84 2HD ARG 84 6.375 -16.584 9.565 628 HD3 ARG 84 3HD ARG 84 4.617 -16.672 9.624 629 HE ARG 84 HE ARG 84 4.767 -18.889 10.378 630 HH11 ARG 84 1HH1 ARG 84 7.882 -17.467 9.957 631 HH12 ARG 84 2HH1 ARG 84 8.673 -18.665 10.919 632 HH21 ARG 84 1HH2 ARG 84 5.789 -20.402 11.605 633 HH22 ARG 84 2HH2 ARG 84 7.501 -20.327 11.826 634 H ASN 85 H ASN 85 3.909 -15.362 4.613 635 HA ASN 85 HA ASN 85 4.286 -12.557 4.550 636 HB2 ASN 85 2HB ASN 85 3.165 -14.322 2.356 637 HB3 ASN 85 3HB ASN 85 3.851 -12.713 2.154 638 HD21 ASN 85 1HD2 ASN 85 5.522 -13.217 0.864 639 HD22 ASN 85 2HD2 ASN 85 6.820 -14.260 1.313 640 H LYS 86 H LYS 86 1.407 -14.594 4.156 641 HA LYS 86 HA LYS 86 -0.415 -12.640 3.395 642 HB2 LYS 86 2HB LYS 86 -0.877 -15.018 3.236 643 HB3 LYS 86 3HB LYS 86 -0.869 -15.169 4.985 644 HG2 LYS 86 2HG LYS 86 -2.925 -14.101 5.215 645 HG3 LYS 86 3HG LYS 86 -2.818 -13.344 3.626 646 HD2 LYS 86 2HD LYS 86 -4.463 -15.208 3.736 647 HD3 LYS 86 3HD LYS 86 -3.203 -15.449 2.526 648 HE2 LYS 86 2HE LYS 86 -2.003 -16.903 4.140 649 HE3 LYS 86 3HE LYS 86 -3.348 -16.712 5.264 650 HZ1 LYS 86 3HZ LYS 86 -3.523 -18.764 4.000 651 HZ2 LYS 86 1HZ LYS 86 -3.530 -17.899 2.548 652 HZ3 LYS 86 2HZ LYS 86 -4.809 -17.733 3.641 653 H PHE 87 H PHE 87 0.515 -13.620 6.691 654 HA PHE 87 HA PHE 87 -1.348 -11.948 8.044 655 HB2 PHE 87 2HB PHE 87 -0.091 -13.890 9.054 656 HB3 PHE 87 3HB PHE 87 1.345 -12.874 9.066 657 HD1 PHE 87 HD2 PHE 87 -2.006 -13.352 10.505 658 HD2 PHE 87 HD1 PHE 87 1.642 -11.163 10.711 659 HE1 PHE 87 HE2 PHE 87 -2.670 -12.459 12.699 660 HE2 PHE 87 HE1 PHE 87 0.982 -10.268 12.906 661 HZ PHE 87 HZ PHE 87 -1.179 -10.916 13.901 662 H ALA 88 H ALA 88 2.155 -11.541 7.475 663 HA ALA 88 HA ALA 88 2.409 -8.927 8.436 664 HB1 ALA 88 3HB ALA 88 4.494 -8.845 7.153 665 HB2 ALA 88 1HB ALA 88 4.003 -10.280 6.254 666 HB3 ALA 88 2HB ALA 88 4.318 -10.389 7.987 667 H PHE 89 H PHE 89 1.283 -10.118 5.360 668 HA PHE 89 HA PHE 89 1.346 -7.677 3.914 669 HB2 PHE 89 2HB PHE 89 1.170 -9.972 2.914 670 HB3 PHE 89 3HB PHE 89 -0.488 -10.050 3.495 671 HD1 PHE 89 HD2 PHE 89 1.791 -8.424 1.109 672 HD2 PHE 89 HD1 PHE 89 -2.253 -8.879 2.369 673 HE1 PHE 89 HE2 PHE 89 1.026 -7.372 -0.975 674 HE2 PHE 89 HE1 PHE 89 -3.020 -7.826 0.284 675 HZ PHE 89 HZ PHE 89 -1.384 -7.072 -1.391 676 H ARG 90 H ARG 90 -1.251 -9.347 5.716 677 HA ARG 90 HA ARG 90 -3.260 -7.441 5.234 678 HB2 ARG 90 2HB ARG 90 -2.876 -9.561 7.311 679 HB3 ARG 90 3HB ARG 90 -4.170 -8.391 7.520 680 HG2 ARG 90 2HG ARG 90 -3.811 -10.293 5.214 681 HG3 ARG 90 3HG ARG 90 -5.050 -10.355 6.468 682 HD2 ARG 90 2HD ARG 90 -4.736 -8.305 4.273 683 HD3 ARG 90 3HD ARG 90 -6.078 -9.421 4.529 684 HE ARG 90 HE ARG 90 -6.047 -7.939 6.795 685 HH11 ARG 90 1HH1 ARG 90 -6.193 -7.111 3.450 686 HH12 ARG 90 2HH1 ARG 90 -7.039 -5.634 3.750 687 HH21 ARG 90 1HH2 ARG 90 -7.103 -6.032 7.155 688 HH22 ARG 90 2HH2 ARG 90 -7.547 -5.033 5.813 689 H GLU 91 H GLU 91 -0.925 -7.657 7.931 690 HA GLU 91 HA GLU 91 -1.985 -5.394 9.290 691 HB2 GLU 91 2HB GLU 91 -0.164 -5.554 10.769 692 HB3 GLU 91 3HB GLU 91 -0.466 -7.211 10.266 693 HG2 GLU 91 2HG GLU 91 1.429 -7.214 8.833 694 HG3 GLU 91 3HG GLU 91 1.650 -5.474 9.014 695 H ALA 92 H ALA 92 0.515 -5.789 6.827 696 HA ALA 92 HA ALA 92 1.480 -3.141 6.770 697 HB1 ALA 92 3HB ALA 92 2.334 -3.673 4.553 698 HB2 ALA 92 1HB ALA 92 1.298 -5.098 4.475 699 HB3 ALA 92 2HB ALA 92 2.606 -5.023 5.656 700 H VAL 93 H VAL 93 -1.120 -4.694 4.879 701 HA VAL 93 HA VAL 93 -1.928 -2.472 3.378 702 HB VAL 93 HB VAL 93 -3.555 -4.816 4.393 703 HG11 VAL 93 1HG1 VAL 93 -5.187 -4.241 2.622 704 HG12 VAL 93 2HG1 VAL 93 -4.301 -2.745 2.322 705 HG13 VAL 93 3HG1 VAL 93 -5.085 -3.008 3.879 706 HG21 VAL 93 3HG2 VAL 93 -1.682 -5.379 2.901 707 HG22 VAL 93 1HG2 VAL 93 -2.326 -4.273 1.686 708 HG23 VAL 93 2HG2 VAL 93 -3.244 -5.708 2.149 709 H SER 94 H SER 94 -2.802 -3.462 6.657 710 HA SER 94 HA SER 94 -4.843 -1.570 7.134 711 HB2 SER 94 2HB SER 94 -4.493 -3.455 8.646 712 HB3 SER 94 3HB SER 94 -2.897 -2.845 9.081 713 HG SER 94 HG SER 94 -3.792 -1.528 10.454 714 H LYS 95 H LYS 95 -1.342 -1.427 7.603 715 HA LYS 95 HA LYS 95 -1.172 1.193 8.649 716 HB2 LYS 95 2HB LYS 95 0.853 -0.300 6.953 717 HB3 LYS 95 3HB LYS 95 1.190 1.083 7.984 718 HG2 LYS 95 2HG LYS 95 0.794 -0.172 9.962 719 HG3 LYS 95 3HG LYS 95 0.100 -1.512 9.050 720 HD2 LYS 95 2HD LYS 95 2.343 -2.084 9.760 721 HD3 LYS 95 3HD LYS 95 2.304 -1.912 8.006 722 HE2 LYS 95 2HE LYS 95 4.298 -0.873 8.921 723 HE3 LYS 95 3HE LYS 95 3.244 0.347 8.211 724 HZ1 LYS 95 3HZ LYS 95 2.532 1.031 10.352 725 HZ2 LYS 95 1HZ LYS 95 4.218 0.944 10.412 726 HZ3 LYS 95 2HZ LYS 95 3.284 -0.278 11.111 727 H LEU 96 H LEU 96 -1.207 -0.037 5.319 728 HA LEU 96 HA LEU 96 -0.556 2.365 4.004 729 HB2 LEU 96 2HB LEU 96 -0.511 0.196 2.881 730 HB3 LEU 96 3HB LEU 96 -2.251 0.050 3.058 731 HG LEU 96 HG LEU 96 -2.506 2.073 1.587 732 HD11 LEU 96 1HD1 LEU 96 0.453 1.675 1.128 733 HD12 LEU 96 2HD1 LEU 96 -0.298 3.052 1.937 734 HD13 LEU 96 3HD1 LEU 96 -0.599 2.765 0.223 735 HD21 LEU 96 3HD2 LEU 96 -1.045 -0.275 0.372 736 HD22 LEU 96 1HD2 LEU 96 -2.052 0.885 -0.496 737 HD23 LEU 96 2HD2 LEU 96 -2.776 -0.189 0.701 738 H GLU 97 H GLU 97 -3.788 0.931 4.617 739 HA GLU 97 HA GLU 97 -5.219 3.134 3.539 740 HB2 GLU 97 2HB GLU 97 -7.203 2.124 4.610 741 HB3 GLU 97 3HB GLU 97 -6.261 0.955 3.700 742 HG2 GLU 97 2HG GLU 97 -5.261 0.147 5.798 743 HG3 GLU 97 3HG GLU 97 -6.253 1.296 6.695 744 H LEU 98 H LEU 98 -4.185 2.324 6.819 745 HA LEU 98 HA LEU 98 -5.381 4.414 8.237 746 HB2 LEU 98 2HB LEU 98 -4.211 2.573 9.327 747 HB3 LEU 98 3HB LEU 98 -2.690 3.092 8.631 748 HG LEU 98 HG LEU 98 -2.780 5.158 9.979 749 HD11 LEU 98 1HD1 LEU 98 -4.427 5.370 11.785 750 HD12 LEU 98 2HD1 LEU 98 -5.263 3.934 11.188 751 HD13 LEU 98 3HD1 LEU 98 -5.190 5.391 10.196 752 HD21 LEU 98 3HD2 LEU 98 -3.065 2.625 11.602 753 HD22 LEU 98 1HD2 LEU 98 -2.305 4.125 12.141 754 HD23 LEU 98 2HD2 LEU 98 -1.588 3.197 10.824 755 H SER 99 H SER 99 -2.212 4.316 6.611 756 HA SER 99 HA SER 99 -1.491 6.995 7.144 757 HB2 SER 99 2HB SER 99 -0.566 5.188 4.895 758 HB3 SER 99 3HB SER 99 0.223 6.684 5.396 759 HG SER 99 HG SER 99 0.326 4.182 6.510 760 H LEU 100 H LEU 100 -3.318 5.549 4.482 761 HA LEU 100 HA LEU 100 -3.383 7.833 2.805 762 HB2 LEU 100 2HB LEU 100 -5.260 5.484 3.054 763 HB3 LEU 100 3HB LEU 100 -5.447 6.730 1.833 764 HG LEU 100 HG LEU 100 -3.018 4.948 2.113 765 HD11 LEU 100 1HD1 LEU 100 -5.014 3.692 1.430 766 HD12 LEU 100 2HD1 LEU 100 -3.824 3.805 0.135 767 HD13 LEU 100 3HD1 LEU 100 -5.261 4.826 0.101 768 HD21 LEU 100 3HD2 LEU 100 -2.497 7.116 1.118 769 HD22 LEU 100 1HD2 LEU 100 -3.808 6.910 -0.046 770 HD23 LEU 100 2HD2 LEU 100 -2.410 5.836 -0.092 771 H GLN 101 H GLN 101 -5.607 6.727 5.370 772 HA GLN 101 HA GLN 101 -7.478 8.835 4.897 773 HB2 GLN 101 2HB GLN 101 -8.614 8.089 6.911 774 HB3 GLN 101 3HB GLN 101 -8.188 6.720 5.896 775 HG2 GLN 101 2HG GLN 101 -6.257 6.265 7.362 776 HG3 GLN 101 3HG GLN 101 -6.756 7.605 8.398 777 HE21 GLN 101 1HE2 GLN 101 -7.097 6.303 10.177 778 HE22 GLN 101 2HE2 GLN 101 -8.418 5.198 10.284 779 H GLU 102 H GLU 102 -4.733 8.486 7.126 780 HA GLU 102 HA GLU 102 -5.284 10.967 8.467 781 HB2 GLU 102 2HB GLU 102 -3.050 10.736 9.460 782 HB3 GLU 102 3HB GLU 102 -3.973 9.247 9.598 783 HG2 GLU 102 2HG GLU 102 -2.737 8.294 7.728 784 HG3 GLU 102 3HG GLU 102 -1.828 9.792 7.554 785 H LEU 103 H LEU 103 -3.489 10.068 5.582 786 HA LEU 103 HA LEU 103 -2.016 12.448 5.248 787 HB2 LEU 103 2HB LEU 103 -1.562 10.424 3.950 788 HB3 LEU 103 3HB LEU 103 -3.116 10.575 3.149 789 HG LEU 103 HG LEU 103 -2.359 12.728 2.155 790 HD11 LEU 103 1HD1 LEU 103 0.016 13.305 2.207 791 HD12 LEU 103 2HD1 LEU 103 0.310 11.995 3.352 792 HD13 LEU 103 3HD1 LEU 103 -0.702 13.363 3.818 793 HD21 LEU 103 3HD2 LEU 103 -0.552 10.392 1.553 794 HD22 LEU 103 1HD2 LEU 103 -0.886 11.759 0.493 795 HD23 LEU 103 2HD2 LEU 103 -2.175 10.628 0.902 796 H GLN 104 H GLN 104 -5.223 11.536 3.980 797 HA GLN 104 HA GLN 104 -5.600 13.889 2.467 798 HB2 GLN 104 2HB GLN 104 -7.971 13.189 2.344 799 HB3 GLN 104 3HB GLN 104 -6.850 11.892 1.963 800 HG2 GLN 104 2HG GLN 104 -7.120 11.118 4.354 801 HG3 GLN 104 3HG GLN 104 -8.452 12.266 4.480 802 HE21 GLN 104 1HE2 GLN 104 -7.335 9.330 2.998 803 HE22 GLN 104 2HE2 GLN 104 -8.879 8.787 2.446 804 H VAL 105 H VAL 105 -5.872 13.401 5.866 805 HA VAL 105 HA VAL 105 -7.432 15.884 6.166 806 HB VAL 105 HB VAL 105 -7.720 15.314 8.516 807 HG11 VAL 105 1HG1 VAL 105 -9.337 14.433 6.923 808 HG12 VAL 105 2HG1 VAL 105 -9.104 13.301 8.255 809 HG13 VAL 105 3HG1 VAL 105 -8.348 12.990 6.691 810 HG21 VAL 105 3HG2 VAL 105 -6.088 12.837 7.934 811 HG22 VAL 105 1HG2 VAL 105 -6.937 13.185 9.441 812 HG23 VAL 105 2HG2 VAL 105 -5.584 14.198 8.937 813 H SER 106 H SER 106 -4.301 14.452 7.045 814 HA SER 106 HA SER 106 -3.428 17.000 8.235 815 HB2 SER 106 2HB SER 106 -2.134 14.256 8.271 816 HB3 SER 106 3HB SER 106 -1.456 15.692 9.038 817 HG SER 106 HG SER 106 -3.867 15.595 9.958 818 H SER 107 H SER 107 -3.661 16.273 5.255 819 HA SER 107 HA SER 107 -1.282 15.944 3.944 820 HB2 SER 107 2HB SER 107 -3.355 16.066 2.716 821 HB3 SER 107 3HB SER 107 -3.588 17.750 3.181 822 HG SER 107 HG SER 107 -2.754 17.753 1.130 823 H ALA 108 H ALA 108 -2.645 19.235 4.343 824 HA ALA 108 HA ALA 108 -1.677 21.298 4.403 825 HB1 ALA 108 3HB ALA 108 0.237 21.582 5.882 826 HB2 ALA 108 1HB ALA 108 0.546 19.846 5.844 827 HB3 ALA 108 2HB ALA 108 -0.928 20.463 6.592 828 H ALA 109 H ALA 109 -0.889 19.296 2.191 829 HA ALA 109 HA ALA 109 1.487 20.756 1.214 830 HB1 ALA 109 3HB ALA 109 2.289 18.726 0.172 831 HB2 ALA 109 1HB ALA 109 0.865 17.843 0.724 832 HB3 ALA 109 2HB ALA 109 2.035 18.450 1.896 833 H ALA 110 H ALA 110 0.941 21.987 -0.477 834 HA ALA 110 HA ALA 110 -1.269 21.311 -2.239 835 HB1 ALA 110 3HB ALA 110 0.677 23.621 -2.338 836 HB2 ALA 110 1HB ALA 110 -0.902 23.633 -1.552 837 HB3 ALA 110 2HB ALA 110 -0.790 23.461 -3.304 838 H GLY 111 H GLY 111 0.896 19.430 -2.261 839 HA2 GLY 111 2HA GLY 111 1.688 18.152 -4.112 840 HA3 GLY 111 3HA GLY 111 1.753 19.622 -5.070 841 H VAL 112 H VAL 112 3.129 18.822 -1.874 842 HA VAL 112 HA VAL 112 5.781 19.618 -2.912 843 HB VAL 112 HB VAL 112 4.843 19.702 -0.033 844 HG11 VAL 112 1HG1 VAL 112 7.260 19.429 -0.253 845 HG12 VAL 112 2HG1 VAL 112 6.872 21.040 0.346 846 HG13 VAL 112 3HG1 VAL 112 7.333 20.815 -1.341 847 HG21 VAL 112 3HG2 VAL 112 4.734 22.141 -0.303 848 HG22 VAL 112 1HG2 VAL 112 3.600 21.321 -1.377 849 HG23 VAL 112 2HG2 VAL 112 5.111 21.968 -2.017 850 HA PRO 113 HA PRO 113 6.797 15.307 -2.329 851 HB2 PRO 113 2HB PRO 113 9.476 15.468 -2.792 852 HB3 PRO 113 3HB PRO 113 8.263 15.566 -4.075 853 HG2 PRO 113 2HG PRO 113 9.719 17.787 -2.677 854 HG3 PRO 113 3HG PRO 113 9.405 17.576 -4.411 855 HD2 PRO 113 2HD PRO 113 7.914 19.223 -2.873 856 HD3 PRO 113 3HD PRO 113 7.216 18.320 -4.234 857 H GLY 114 H GLY 114 7.014 14.205 -0.483 858 HA2 GLY 114 2HA GLY 114 7.715 13.517 1.590 859 HA3 GLY 114 3HA GLY 114 9.284 14.124 1.104 860 H THR 115 H THR 115 6.533 16.290 1.491 861 HA THR 115 HA THR 115 8.026 17.872 3.359 862 HB THR 115 HB THR 115 6.615 19.039 1.805 863 HG1 THR 115 HG1 THR 115 6.839 19.790 4.090 864 HG21 THR 115 3HG2 THR 115 4.874 17.340 1.488 865 HG22 THR 115 1HG2 THR 115 4.170 18.910 1.874 866 HG23 THR 115 2HG2 THR 115 4.264 17.657 3.113 867 H ASN 116 H ASN 116 4.960 16.025 3.719 868 HA ASN 116 HA ASN 116 5.108 16.447 6.617 869 HB2 ASN 116 2HB ASN 116 2.813 15.491 6.669 870 HB3 ASN 116 3HB ASN 116 2.938 16.900 5.620 871 HD21 ASN 116 1HD2 ASN 116 2.478 16.689 3.490 872 HD22 ASN 116 2HD2 ASN 116 1.982 15.209 2.752 873 HA PRO 117 HA PRO 117 6.667 12.433 7.605 874 HB2 PRO 117 2HB PRO 117 5.250 11.833 9.873 875 HB3 PRO 117 3HB PRO 117 6.602 12.971 9.831 876 HG2 PRO 117 2HG PRO 117 3.655 13.532 9.725 877 HG3 PRO 117 3HG PRO 117 4.913 14.344 10.678 878 HD2 PRO 117 2HD PRO 117 3.979 15.424 8.411 879 HD3 PRO 117 3HD PRO 117 5.699 15.550 8.844 880 H VAL 118 H VAL 118 3.227 12.843 7.145 881 HA VAL 118 HA VAL 118 2.461 10.121 7.318 882 HB VAL 118 HB VAL 118 1.136 12.287 5.673 883 HG11 VAL 118 1HG1 VAL 118 0.109 9.664 6.766 884 HG12 VAL 118 2HG1 VAL 118 0.344 10.086 5.069 885 HG13 VAL 118 3HG1 VAL 118 -0.897 10.905 6.016 886 HG21 VAL 118 3HG2 VAL 118 0.644 11.486 8.549 887 HG22 VAL 118 1HG2 VAL 118 -0.294 12.664 7.630 888 HG23 VAL 118 2HG2 VAL 118 1.398 12.987 8.010 889 H LEU 119 H LEU 119 3.682 12.098 4.644 890 HA LEU 119 HA LEU 119 3.420 10.212 2.572 891 HB2 LEU 119 2HB LEU 119 5.599 12.272 2.999 892 HB3 LEU 119 3HB LEU 119 5.306 11.416 1.495 893 HG LEU 119 HG LEU 119 3.391 13.343 2.827 894 HD11 LEU 119 1HD1 LEU 119 5.304 14.491 1.882 895 HD12 LEU 119 2HD1 LEU 119 3.869 14.792 0.904 896 HD13 LEU 119 3HD1 LEU 119 5.088 13.643 0.350 897 HD21 LEU 119 3HD2 LEU 119 3.164 11.900 0.183 898 HD22 LEU 119 1HD2 LEU 119 2.052 13.124 0.795 899 HD23 LEU 119 2HD2 LEU 119 2.203 11.578 1.626 900 H ASN 120 H ASN 120 5.864 10.579 5.099 901 HA ASN 120 HA ASN 120 7.591 8.493 4.201 902 HB2 ASN 120 2HB ASN 120 7.209 9.636 6.985 903 HB3 ASN 120 3HB ASN 120 8.536 8.590 6.492 904 HD21 ASN 120 1HD2 ASN 120 8.882 9.797 3.896 905 HD22 ASN 120 2HD2 ASN 120 9.585 11.349 4.165 906 H ASN 121 H ASN 121 4.867 8.594 6.500 907 HA ASN 121 HA ASN 121 4.874 5.924 7.321 908 HB2 ASN 121 2HB ASN 121 2.496 7.751 6.846 909 HB3 ASN 121 3HB ASN 121 2.414 6.212 7.700 910 HD21 ASN 121 1HD2 ASN 121 1.748 8.824 8.716 911 HD22 ASN 121 2HD2 ASN 121 2.812 9.127 10.041 912 H LEU 122 H LEU 122 3.167 7.374 4.528 913 HA LEU 122 HA LEU 122 2.199 4.994 3.412 914 HB2 LEU 122 2HB LEU 122 2.866 7.681 2.255 915 HB3 LEU 122 3HB LEU 122 2.423 6.363 1.188 916 HG LEU 122 HG LEU 122 0.700 7.502 3.398 917 HD11 LEU 122 1HD1 LEU 122 0.435 7.653 0.394 918 HD12 LEU 122 2HD1 LEU 122 0.890 8.981 1.465 919 HD13 LEU 122 3HD1 LEU 122 -0.722 8.275 1.571 920 HD21 LEU 122 3HD2 LEU 122 0.349 5.097 3.126 921 HD22 LEU 122 1HD2 LEU 122 0.105 5.320 1.394 922 HD23 LEU 122 2HD2 LEU 122 -1.040 6.014 2.544 923 H LEU 123 H LEU 123 5.295 6.672 2.816 924 HA LEU 123 HA LEU 123 6.308 5.003 0.836 925 HB2 LEU 123 2HB LEU 123 7.350 7.123 1.611 926 HB3 LEU 123 3HB LEU 123 7.872 6.308 3.074 927 HG LEU 123 HG LEU 123 9.291 4.799 1.722 928 HD11 LEU 123 1HD1 LEU 123 8.026 4.794 -0.350 929 HD12 LEU 123 2HD1 LEU 123 9.686 5.304 -0.654 930 HD13 LEU 123 3HD1 LEU 123 8.391 6.501 -0.609 931 HD21 LEU 123 3HD2 LEU 123 10.985 6.458 1.099 932 HD22 LEU 123 1HD2 LEU 123 10.253 6.834 2.659 933 HD23 LEU 123 2HD2 LEU 123 9.779 7.741 1.222 934 H SER 124 H SER 124 6.693 4.686 4.371 935 HA SER 124 HA SER 124 8.069 2.243 4.395 936 HB2 SER 124 2HB SER 124 7.868 3.623 6.405 937 HB3 SER 124 3HB SER 124 6.127 3.351 6.445 938 HG SER 124 HG SER 124 7.685 1.981 7.791 939 H CYS 125 H CYS 125 4.572 2.891 4.460 940 HA CYS 125 HA CYS 125 3.705 0.233 4.803 941 HB2 CYS 125 2HB CYS 125 2.297 2.552 3.466 942 HB3 CYS 125 3HB CYS 125 1.523 1.044 3.939 943 HG CYS 125 HG CYS 125 3.105 2.982 6.257 944 H VAL 126 H VAL 126 4.052 2.144 1.815 945 HA VAL 126 HA VAL 126 3.191 0.185 -0.001 946 HB VAL 126 HB VAL 126 5.162 2.443 -0.434 947 HG11 VAL 126 1HG1 VAL 126 3.657 0.783 -2.467 948 HG12 VAL 126 2HG1 VAL 126 5.402 0.789 -2.200 949 HG13 VAL 126 3HG1 VAL 126 4.601 2.230 -2.827 950 HG21 VAL 126 3HG2 VAL 126 2.189 2.299 -0.975 951 HG22 VAL 126 1HG2 VAL 126 3.245 3.670 -1.321 952 HG23 VAL 126 2HG2 VAL 126 2.953 3.181 0.348 953 H GLN 127 H GLN 127 6.532 1.079 0.916 954 HA GLN 127 HA GLN 127 7.862 -0.926 -0.518 955 HB2 GLN 127 2HB GLN 127 8.650 0.379 2.102 956 HB3 GLN 127 3HB GLN 127 9.734 -0.540 1.064 957 HG2 GLN 127 2HG GLN 127 9.481 1.095 -0.708 958 HG3 GLN 127 3HG GLN 127 8.309 1.993 0.255 959 HE21 GLN 127 1HE2 GLN 127 10.831 2.891 -0.861 960 HE22 GLN 127 2HE2 GLN 127 11.789 3.430 0.473 961 H GLU 128 H GLU 128 6.516 -0.952 2.753 962 HA GLU 128 HA GLU 128 7.349 -3.463 3.623 963 HB2 GLU 128 2HB GLU 128 6.213 -1.752 5.018 964 HB3 GLU 128 3HB GLU 128 4.707 -2.092 4.180 965 HG2 GLU 128 2HG GLU 128 4.729 -3.174 6.332 966 HG3 GLU 128 3HG GLU 128 4.749 -4.386 5.050 967 H ILE 129 H ILE 129 4.266 -2.631 2.020 968 HA ILE 129 HA ILE 129 3.232 -5.216 1.806 969 HB ILE 129 HB ILE 129 2.796 -2.820 0.012 970 HG12 ILE 129 2HG1 ILE 129 1.161 -3.951 2.304 971 HG13 ILE 129 3HG1 ILE 129 2.151 -2.497 2.367 972 HG21 ILE 129 1HG2 ILE 129 2.186 -4.839 -1.206 973 HG22 ILE 129 2HG2 ILE 129 0.740 -3.939 -0.750 974 HG23 ILE 129 3HG2 ILE 129 1.200 -5.383 0.153 975 HD11 ILE 129 3HD1 ILE 129 -0.280 -2.891 0.637 976 HD12 ILE 129 1HD1 ILE 129 0.704 -1.428 0.727 977 HD13 ILE 129 2HD1 ILE 129 -0.205 -1.969 2.138 978 H SER 130 H SER 130 5.029 -3.363 -0.680 979 HA SER 130 HA SER 130 5.116 -5.357 -2.635 980 HB2 SER 130 2HB SER 130 7.012 -4.146 -3.615 981 HB3 SER 130 3HB SER 130 5.768 -3.020 -3.078 982 HG SER 130 HG SER 130 7.179 -3.031 -1.037 983 H ASP 131 H ASP 131 7.309 -4.788 0.081 984 HA ASP 131 HA ASP 131 9.265 -6.707 -0.567 985 HB2 ASP 131 2HB ASP 131 9.701 -4.987 1.061 986 HB3 ASP 131 3HB ASP 131 8.389 -5.553 2.089 987 H VAL 132 H VAL 132 6.480 -6.942 1.658 988 HA VAL 132 HA VAL 132 6.819 -9.539 2.548 989 HB VAL 132 HB VAL 132 4.214 -8.081 2.030 990 HG11 VAL 132 1HG1 VAL 132 3.801 -10.468 2.241 991 HG12 VAL 132 2HG1 VAL 132 3.237 -9.625 3.685 992 HG13 VAL 132 3HG1 VAL 132 4.754 -10.525 3.722 993 HG21 VAL 132 3HG2 VAL 132 5.697 -6.890 3.558 994 HG22 VAL 132 1HG2 VAL 132 5.889 -8.346 4.536 995 HG23 VAL 132 2HG2 VAL 132 4.316 -7.553 4.431 996 H VAL 133 H VAL 133 5.363 -8.461 -0.487 997 HA VAL 133 HA VAL 133 4.382 -11.026 -1.284 998 HB VAL 133 HB VAL 133 5.075 -8.658 -3.048 999 HG11 VAL 133 1HG1 VAL 133 3.279 -11.038 -3.550 1000 HG12 VAL 133 2HG1 VAL 133 4.829 -10.713 -4.329 1001 HG13 VAL 133 3HG1 VAL 133 3.454 -9.647 -4.620 1002 HG21 VAL 133 3HG2 VAL 133 3.477 -8.036 -1.297 1003 HG22 VAL 133 1HG2 VAL 133 2.438 -9.384 -1.758 1004 HG23 VAL 133 2HG2 VAL 133 2.708 -8.053 -2.884 1005 H GLN 134 H GLN 134 7.459 -9.364 -1.700 1006 HA GLN 134 HA GLN 134 8.436 -11.051 -3.796 1007 HB2 GLN 134 2HB GLN 134 9.937 -9.182 -1.946 1008 HB3 GLN 134 3HB GLN 134 10.601 -9.933 -3.393 1009 HG2 GLN 134 2HG GLN 134 8.918 -8.751 -4.750 1010 HG3 GLN 134 3HG GLN 134 8.326 -7.963 -3.287 1011 HE21 GLN 134 1HE2 GLN 134 8.811 -5.916 -4.089 1012 HE22 GLN 134 2HE2 GLN 134 10.431 -5.338 -4.217 1013 H ARG 135 H ARG 135 8.446 -11.314 -0.326 1014 HA ARG 135 HA ARG 135 10.825 -12.847 -0.038 1015 HB2 ARG 135 2HB ARG 135 8.492 -12.884 1.878 1016 HB3 ARG 135 3HB ARG 135 10.190 -13.179 2.233 1017 HG2 ARG 135 2HG ARG 135 10.625 -10.781 1.573 1018 HG3 ARG 135 3HG ARG 135 8.874 -10.560 1.542 1019 HD2 ARG 135 2HD ARG 135 10.644 -11.211 3.884 1020 HD3 ARG 135 3HD ARG 135 9.557 -9.839 3.677 1021 HE ARG 135 HE ARG 135 8.435 -12.544 3.869 1022 HH11 ARG 135 1HH1 ARG 135 8.844 -9.397 5.212 1023 HH12 ARG 135 2HH1 ARG 135 7.648 -9.650 6.438 1024 HH21 ARG 135 1HH2 ARG 135 6.943 -12.870 5.446 1025 HH22 ARG 135 2HH2 ARG 135 6.593 -11.606 6.578 Start of MODEL 11 1 H1 MET 1 1H MET 1 -44.141 -19.576 25.363 2 H2 MET 1 2H MET 1 -43.553 -19.264 26.920 3 H3 MET 1 3H MET 1 -42.620 -20.157 25.825 4 HA MET 1 HA MET 1 -43.373 -17.306 25.556 5 HB2 MET 1 2HB MET 1 -41.689 -17.714 27.301 6 HB3 MET 1 3HB MET 1 -40.700 -18.603 26.152 7 HG2 MET 1 2HG MET 1 -41.425 -15.699 25.811 8 HG3 MET 1 3HG MET 1 -39.973 -16.250 26.645 9 HE1 MET 1 3HE MET 1 -38.655 -14.843 23.196 10 HE2 MET 1 1HE MET 1 -38.534 -14.708 24.950 11 HE3 MET 1 2HE MET 1 -40.021 -14.233 24.128 12 H GLY 2 H GLY 2 -43.122 -16.409 23.600 13 HA2 GLY 2 2HA GLY 2 -41.373 -17.541 21.581 14 HA3 GLY 2 3HA GLY 2 -43.087 -17.701 21.222 15 H HIS 3 H HIS 3 -44.357 -15.785 20.938 16 HA HIS 3 HA HIS 3 -44.819 -13.659 20.271 17 HB2 HIS 3 2HB HIS 3 -43.972 -13.277 22.608 18 HB3 HIS 3 3HB HIS 3 -42.398 -12.898 21.923 19 HD1 HIS 3 HD1 HIS 3 -42.223 -10.656 20.558 20 HD2 HIS 3 HD2 HIS 3 -45.851 -11.246 22.491 21 HE1 HIS 3 HE1 HIS 3 -43.345 -8.412 20.578 22 HE2 HIS 3 HE2 HIS 3 -45.455 -8.760 21.897 23 H HIS 4 H HIS 4 -42.755 -15.261 18.687 24 HA HIS 4 HA HIS 4 -40.817 -13.493 17.647 25 HB2 HIS 4 2HB HIS 4 -42.087 -15.920 16.358 26 HB3 HIS 4 3HB HIS 4 -40.656 -15.092 15.749 27 HD1 HIS 4 HD1 HIS 4 -40.726 -18.096 16.730 28 HD2 HIS 4 HD2 HIS 4 -39.348 -14.845 18.923 29 HE1 HIS 4 HE1 HIS 4 -39.176 -19.056 18.452 30 HE2 HIS 4 HE2 HIS 4 -38.420 -17.086 19.820 31 H HIS 5 H HIS 5 -40.750 -12.213 15.813 32 HA HIS 5 HA HIS 5 -43.016 -10.628 15.430 33 HB2 HIS 5 2HB HIS 5 -40.424 -10.217 15.003 34 HB3 HIS 5 3HB HIS 5 -40.868 -10.617 13.347 35 HD1 HIS 5 HD1 HIS 5 -41.279 -8.004 15.973 36 HD2 HIS 5 HD2 HIS 5 -42.487 -8.691 12.056 37 HE1 HIS 5 HE1 HIS 5 -42.197 -5.814 15.158 38 HE2 HIS 5 HE2 HIS 5 -42.743 -6.210 12.737 39 H HIS 6 H HIS 6 -41.871 -13.375 13.527 40 HA HIS 6 HA HIS 6 -43.833 -12.967 11.433 41 HB2 HIS 6 2HB HIS 6 -41.967 -15.264 12.056 42 HB3 HIS 6 3HB HIS 6 -43.127 -15.315 10.735 43 HD1 HIS 6 HD1 HIS 6 -42.763 -13.455 8.823 44 HD2 HIS 6 HD2 HIS 6 -39.599 -14.033 11.455 45 HE1 HIS 6 HE1 HIS 6 -40.763 -12.441 7.703 46 HE2 HIS 6 HE2 HIS 6 -38.829 -13.037 9.192 47 H HIS 7 H HIS 7 -45.916 -13.128 12.028 48 HA HIS 7 HA HIS 7 -46.744 -15.322 13.817 49 HB2 HIS 7 2HB HIS 7 -48.209 -12.804 12.989 50 HB3 HIS 7 3HB HIS 7 -48.855 -14.032 14.070 51 HD1 HIS 7 HD1 HIS 7 -46.165 -11.392 13.905 52 HD2 HIS 7 HD2 HIS 7 -48.033 -13.832 16.703 53 HE1 HIS 7 HE1 HIS 7 -45.394 -10.562 16.141 54 HE2 HIS 7 HE2 HIS 7 -46.686 -11.919 17.809 55 H HIS 8 H HIS 8 -46.893 -14.302 10.540 56 HA HIS 8 HA HIS 8 -49.251 -15.933 9.933 57 HB2 HIS 8 2HB HIS 8 -47.623 -14.186 8.065 58 HB3 HIS 8 3HB HIS 8 -49.212 -14.880 7.747 59 HD1 HIS 8 HD1 HIS 8 -47.562 -11.945 9.180 60 HD2 HIS 8 HD2 HIS 8 -51.325 -13.698 9.360 61 HE1 HIS 8 HE1 HIS 8 -49.072 -10.193 10.143 62 HE2 HIS 8 HE2 HIS 8 -51.368 -11.215 10.083 63 H SER 9 H SER 9 -48.844 -18.045 9.663 64 HA SER 9 HA SER 9 -46.279 -18.976 8.673 65 HB2 SER 9 2HB SER 9 -47.174 -21.237 9.123 66 HB3 SER 9 3HB SER 9 -47.344 -20.179 10.524 67 HG SER 9 HG SER 9 -49.332 -21.063 8.715 68 H HIS 10 H HIS 10 -45.880 -19.117 6.561 69 HA HIS 10 HA HIS 10 -47.945 -20.228 4.788 70 HB2 HIS 10 2HB HIS 10 -48.104 -17.820 4.476 71 HB3 HIS 10 3HB HIS 10 -46.366 -17.705 4.218 72 HD1 HIS 10 HD1 HIS 10 -45.543 -18.007 1.866 73 HD2 HIS 10 HD2 HIS 10 -49.495 -19.208 2.323 74 HE1 HIS 10 HE1 HIS 10 -46.370 -18.485 -0.451 75 HE2 HIS 10 HE2 HIS 10 -48.721 -19.319 -0.144 76 H MET 11 H MET 11 -47.130 -21.970 3.819 77 HA MET 11 HA MET 11 -44.325 -22.495 3.640 78 HB2 MET 11 2HB MET 11 -44.991 -24.524 2.408 79 HB3 MET 11 3HB MET 11 -45.910 -24.329 3.893 80 HG2 MET 11 2HG MET 11 -47.802 -23.451 2.596 81 HG3 MET 11 3HG MET 11 -46.881 -23.684 1.111 82 HE1 MET 11 3HE MET 11 -46.855 -26.081 4.242 83 HE2 MET 11 1HE MET 11 -48.186 -27.169 3.852 84 HE3 MET 11 2HE MET 11 -48.511 -25.475 4.216 85 H ALA 12 H ALA 12 -42.949 -22.377 1.901 86 HA ALA 12 HA ALA 12 -43.926 -20.833 -0.422 87 HB1 ALA 12 3HB ALA 12 -41.627 -20.074 -0.700 88 HB2 ALA 12 1HB ALA 12 -41.113 -21.092 0.647 89 HB3 ALA 12 2HB ALA 12 -42.203 -19.733 0.932 90 H ASN 13 H ASN 13 -42.534 -21.194 -2.441 91 HA ASN 13 HA ASN 13 -41.551 -23.926 -2.769 92 HB2 ASN 13 2HB ASN 13 -42.873 -24.332 -4.780 93 HB3 ASN 13 3HB ASN 13 -43.944 -24.012 -3.419 94 HD21 ASN 13 1HD2 ASN 13 -45.051 -22.023 -3.342 95 HD22 ASN 13 2HD2 ASN 13 -45.274 -21.069 -4.766 96 H GLY 14 H GLY 14 -39.990 -24.130 -4.414 97 HA2 GLY 14 2HA GLY 14 -38.303 -23.416 -5.815 98 HA3 GLY 14 3HA GLY 14 -39.317 -22.042 -6.231 99 H ALA 15 H ALA 15 -38.375 -22.728 -2.935 100 HA ALA 15 HA ALA 15 -37.006 -20.139 -2.814 101 HB1 ALA 15 3HB ALA 15 -37.877 -21.968 -0.575 102 HB2 ALA 15 1HB ALA 15 -38.793 -20.594 -1.195 103 HB3 ALA 15 2HB ALA 15 -37.242 -20.332 -0.398 104 H ALA 16 H ALA 16 -36.033 -23.137 -3.525 105 HA ALA 16 HA ALA 16 -33.772 -23.472 -1.784 106 HB1 ALA 16 3HB ALA 16 -33.165 -25.329 -3.229 107 HB2 ALA 16 1HB ALA 16 -34.346 -24.806 -4.432 108 HB3 ALA 16 2HB ALA 16 -34.888 -25.385 -2.855 109 H GLY 17 H GLY 17 -32.024 -22.230 -1.855 110 HA2 GLY 17 2HA GLY 17 -30.471 -21.883 -4.228 111 HA3 GLY 17 3HA GLY 17 -31.292 -20.391 -3.791 112 H THR 18 H THR 18 -29.688 -22.958 -1.932 113 HA THR 18 HA THR 18 -28.982 -21.429 0.249 114 HB THR 18 HB THR 18 -27.610 -23.901 -0.830 115 HG1 THR 18 HG1 THR 18 -29.598 -24.529 -0.231 116 HG21 THR 18 3HG2 THR 18 -26.102 -22.744 0.707 117 HG22 THR 18 1HG2 THR 18 -26.732 -24.215 1.446 118 HG23 THR 18 2HG2 THR 18 -27.384 -22.644 1.914 119 H LYS 19 H LYS 19 -26.600 -22.435 -2.268 120 HA LYS 19 HA LYS 19 -24.541 -20.812 -1.233 121 HB2 LYS 19 2HB LYS 19 -23.357 -21.243 -3.341 122 HB3 LYS 19 3HB LYS 19 -24.064 -22.711 -2.683 123 HG2 LYS 19 2HG LYS 19 -25.898 -22.570 -4.285 124 HG3 LYS 19 3HG LYS 19 -25.236 -21.065 -4.926 125 HD2 LYS 19 2HD LYS 19 -24.638 -22.917 -6.376 126 HD3 LYS 19 3HD LYS 19 -23.189 -22.278 -5.598 127 HE2 LYS 19 2HE LYS 19 -23.268 -24.101 -3.958 128 HE3 LYS 19 3HE LYS 19 -24.716 -24.740 -4.738 129 HZ1 LYS 19 3HZ LYS 19 -22.008 -24.528 -5.936 130 HZ2 LYS 19 1HZ LYS 19 -23.392 -25.030 -6.770 131 HZ3 LYS 19 2HZ LYS 19 -22.808 -25.948 -5.482 132 H VAL 20 H VAL 20 -27.079 -20.081 -3.550 133 HA VAL 20 HA VAL 20 -25.813 -17.571 -4.353 134 HB VAL 20 HB VAL 20 -28.521 -18.581 -5.240 135 HG11 VAL 20 1HG1 VAL 20 -28.065 -16.263 -5.813 136 HG12 VAL 20 2HG1 VAL 20 -28.046 -17.256 -7.269 137 HG13 VAL 20 3HG1 VAL 20 -26.528 -16.721 -6.549 138 HG21 VAL 20 3HG2 VAL 20 -27.391 -19.611 -7.181 139 HG22 VAL 20 1HG2 VAL 20 -26.938 -20.374 -5.654 140 HG23 VAL 20 2HG2 VAL 20 -25.830 -19.251 -6.442 141 H ALA 21 H ALA 21 -27.116 -18.219 -1.625 142 HA ALA 21 HA ALA 21 -29.481 -16.850 -1.210 143 HB1 ALA 21 3HB ALA 21 -28.425 -18.323 0.435 144 HB2 ALA 21 1HB ALA 21 -28.861 -16.767 1.141 145 HB3 ALA 21 2HB ALA 21 -27.181 -17.107 0.725 146 H LEU 22 H LEU 22 -26.275 -15.482 -0.342 147 HA LEU 22 HA LEU 22 -27.400 -12.797 -0.865 148 HB2 LEU 22 2HB LEU 22 -25.546 -13.622 1.374 149 HB3 LEU 22 3HB LEU 22 -25.994 -11.965 1.012 150 HG LEU 22 HG LEU 22 -27.905 -14.146 1.883 151 HD11 LEU 22 1HD1 LEU 22 -26.823 -11.768 3.392 152 HD12 LEU 22 2HD1 LEU 22 -26.429 -13.463 3.689 153 HD13 LEU 22 3HD1 LEU 22 -28.069 -12.877 3.967 154 HD21 LEU 22 3HD2 LEU 22 -28.386 -11.197 1.407 155 HD22 LEU 22 1HD2 LEU 22 -29.557 -12.341 2.067 156 HD23 LEU 22 2HD2 LEU 22 -28.986 -12.520 0.409 157 H ARG 23 H ARG 23 -25.467 -14.769 -2.322 158 HA ARG 23 HA ARG 23 -23.835 -14.515 -3.900 159 HB2 ARG 23 2HB ARG 23 -23.985 -11.529 -3.452 160 HB3 ARG 23 3HB ARG 23 -23.540 -12.380 -4.923 161 HG2 ARG 23 2HG ARG 23 -26.295 -12.344 -3.697 162 HG3 ARG 23 3HG ARG 23 -25.768 -11.343 -5.047 163 HD2 ARG 23 2HD ARG 23 -25.744 -14.359 -5.081 164 HD3 ARG 23 3HD ARG 23 -27.082 -13.380 -5.682 165 HE ARG 23 HE ARG 23 -24.460 -12.835 -6.814 166 HH11 ARG 23 1HH1 ARG 23 -27.535 -14.332 -7.148 167 HH12 ARG 23 2HH1 ARG 23 -27.364 -14.567 -8.850 168 HH21 ARG 23 1HH2 ARG 23 -24.242 -13.124 -8.998 169 HH22 ARG 23 2HH2 ARG 23 -25.506 -13.892 -9.891 170 H LYS 24 H LYS 24 -23.150 -14.528 -0.926 171 HA LYS 24 HA LYS 24 -20.794 -12.842 -0.719 172 HB2 LYS 24 2HB LYS 24 -21.946 -14.845 1.234 173 HB3 LYS 24 3HB LYS 24 -20.633 -13.728 1.580 174 HG2 LYS 24 2HG LYS 24 -23.475 -12.979 0.902 175 HG3 LYS 24 3HG LYS 24 -22.733 -12.924 2.498 176 HD2 LYS 24 2HD LYS 24 -21.743 -11.321 0.138 177 HD3 LYS 24 3HD LYS 24 -22.906 -10.712 1.312 178 HE2 LYS 24 2HE LYS 24 -20.755 -9.893 1.938 179 HE3 LYS 24 3HE LYS 24 -21.201 -11.138 3.101 180 HZ1 LYS 24 3HZ LYS 24 -19.729 -12.667 2.070 181 HZ2 LYS 24 1HZ LYS 24 -18.866 -11.234 2.302 182 HZ3 LYS 24 2HZ LYS 24 -19.442 -11.632 0.765 183 H THR 25 H THR 25 -21.472 -16.269 -1.159 184 HA THR 25 HA THR 25 -18.721 -17.085 -0.820 185 HB THR 25 HB THR 25 -20.503 -18.698 -0.348 186 HG1 THR 25 HG1 THR 25 -19.674 -20.421 -1.776 187 HG21 THR 25 3HG2 THR 25 -22.169 -17.983 -1.978 188 HG22 THR 25 1HG2 THR 25 -21.813 -19.698 -2.187 189 HG23 THR 25 2HG2 THR 25 -21.130 -18.515 -3.302 190 H LYS 26 H LYS 26 -17.626 -18.343 -2.672 191 HA LYS 26 HA LYS 26 -17.384 -16.523 -4.882 192 HB2 LYS 26 2HB LYS 26 -16.083 -19.228 -4.568 193 HB3 LYS 26 3HB LYS 26 -15.620 -17.972 -5.700 194 HG2 LYS 26 2HG LYS 26 -15.079 -16.492 -3.771 195 HG3 LYS 26 3HG LYS 26 -15.400 -17.853 -2.694 196 HD2 LYS 26 2HD LYS 26 -13.597 -19.125 -3.682 197 HD3 LYS 26 3HD LYS 26 -13.334 -17.878 -4.903 198 HE2 LYS 26 2HE LYS 26 -12.733 -16.288 -3.100 199 HE3 LYS 26 3HE LYS 26 -12.922 -17.586 -1.921 200 HZ1 LYS 26 3HZ LYS 26 -10.979 -17.591 -4.168 201 HZ2 LYS 26 1HZ LYS 26 -11.134 -18.784 -2.983 202 HZ3 LYS 26 2HZ LYS 26 -10.603 -17.238 -2.557 203 H GLN 27 H GLN 27 -18.041 -16.759 -6.924 204 HA GLN 27 HA GLN 27 -20.161 -18.759 -7.346 205 HB2 GLN 27 2HB GLN 27 -21.114 -17.018 -8.923 206 HB3 GLN 27 3HB GLN 27 -21.119 -16.595 -7.215 207 HG2 GLN 27 2HG GLN 27 -18.955 -15.345 -7.664 208 HG3 GLN 27 3HG GLN 27 -19.303 -15.560 -9.380 209 HE21 GLN 27 1HE2 GLN 27 -20.282 -14.014 -6.426 210 HE22 GLN 27 2HE2 GLN 27 -21.324 -12.846 -7.149 211 H ALA 28 H ALA 28 -17.642 -16.961 -9.128 212 HA ALA 28 HA ALA 28 -17.204 -19.288 -10.808 213 HB1 ALA 28 3HB ALA 28 -17.493 -18.089 -12.913 214 HB2 ALA 28 1HB ALA 28 -17.984 -16.640 -12.037 215 HB3 ALA 28 2HB ALA 28 -18.995 -18.085 -11.986 216 H ALA 29 H ALA 29 -15.081 -19.550 -11.057 217 HA ALA 29 HA ALA 29 -13.168 -17.824 -9.966 218 HB1 ALA 29 3HB ALA 29 -11.502 -19.284 -11.014 219 HB2 ALA 29 1HB ALA 29 -12.764 -20.013 -12.008 220 HB3 ALA 29 2HB ALA 29 -12.792 -20.216 -10.256 221 H GLU 30 H GLU 30 -14.467 -17.957 -13.208 222 HA GLU 30 HA GLU 30 -12.428 -16.431 -14.476 223 HB2 GLU 30 2HB GLU 30 -15.311 -16.793 -15.332 224 HB3 GLU 30 3HB GLU 30 -13.999 -16.205 -16.340 225 HG2 GLU 30 2HG GLU 30 -14.140 -18.387 -17.019 226 HG3 GLU 30 3HG GLU 30 -12.893 -18.499 -15.782 227 H LYS 31 H LYS 31 -15.113 -15.542 -12.490 228 HA LYS 31 HA LYS 31 -14.975 -12.748 -13.418 229 HB2 LYS 31 2HB LYS 31 -17.186 -13.975 -13.407 230 HB3 LYS 31 3HB LYS 31 -17.093 -13.982 -11.650 231 HG2 LYS 31 2HG LYS 31 -18.508 -12.167 -12.473 232 HG3 LYS 31 3HG LYS 31 -17.090 -11.544 -11.622 233 HD2 LYS 31 2HD LYS 31 -15.987 -11.066 -13.731 234 HD3 LYS 31 3HD LYS 31 -17.318 -11.799 -14.630 235 HE2 LYS 31 2HE LYS 31 -17.505 -9.340 -12.885 236 HE3 LYS 31 3HE LYS 31 -17.442 -9.349 -14.647 237 HZ1 LYS 31 3HZ LYS 31 -19.528 -10.652 -14.616 238 HZ2 LYS 31 1HZ LYS 31 -19.696 -9.110 -13.942 239 HZ3 LYS 31 2HZ LYS 31 -19.600 -10.463 -12.937 240 H ILE 32 H ILE 32 -14.125 -14.768 -10.770 241 HA ILE 32 HA ILE 32 -14.263 -12.996 -8.607 242 HB ILE 32 HB ILE 32 -12.264 -15.215 -9.105 243 HG12 ILE 32 2HG1 ILE 32 -14.814 -15.163 -7.461 244 HG13 ILE 32 3HG1 ILE 32 -14.631 -15.941 -9.029 245 HG21 ILE 32 1HG2 ILE 32 -11.388 -13.655 -7.445 246 HG22 ILE 32 2HG2 ILE 32 -11.858 -15.170 -6.677 247 HG23 ILE 32 3HG2 ILE 32 -12.897 -13.752 -6.535 248 HD11 ILE 32 3HD1 ILE 32 -12.997 -17.479 -8.076 249 HD12 ILE 32 1HD1 ILE 32 -14.539 -17.554 -7.224 250 HD13 ILE 32 2HD1 ILE 32 -13.176 -16.695 -6.506 251 H SER 33 H SER 33 -13.301 -11.084 -8.310 252 HA SER 33 HA SER 33 -11.379 -9.979 -10.036 253 HB2 SER 33 2HB SER 33 -12.043 -9.110 -7.207 254 HB3 SER 33 3HB SER 33 -11.229 -8.130 -8.425 255 HG SER 33 HG SER 33 -13.526 -7.735 -8.226 256 H ALA 34 H ALA 34 -10.988 -11.729 -7.011 257 HA ALA 34 HA ALA 34 -8.350 -11.109 -6.371 258 HB1 ALA 34 3HB ALA 34 -9.766 -13.751 -5.990 259 HB2 ALA 34 1HB ALA 34 -9.820 -12.375 -4.888 260 HB3 ALA 34 2HB ALA 34 -8.303 -13.232 -5.150 261 H ASP 35 H ASP 35 -9.584 -13.372 -8.775 262 HA ASP 35 HA ASP 35 -7.111 -14.692 -9.307 263 HB2 ASP 35 2HB ASP 35 -9.390 -15.608 -9.825 264 HB3 ASP 35 3HB ASP 35 -9.526 -14.428 -11.124 265 H LYS 36 H LYS 36 -8.626 -11.783 -10.499 266 HA LYS 36 HA LYS 36 -6.901 -11.408 -12.766 267 HB2 LYS 36 2HB LYS 36 -9.218 -10.501 -12.596 268 HB3 LYS 36 3HB LYS 36 -8.680 -9.419 -11.326 269 HG2 LYS 36 2HG LYS 36 -7.334 -9.314 -13.994 270 HG3 LYS 36 3HG LYS 36 -8.930 -8.591 -13.799 271 HD2 LYS 36 2HD LYS 36 -8.027 -7.234 -11.910 272 HD3 LYS 36 3HD LYS 36 -6.424 -7.888 -12.254 273 HE2 LYS 36 2HE LYS 36 -6.525 -6.936 -14.513 274 HE3 LYS 36 3HE LYS 36 -8.128 -6.287 -14.170 275 HZ1 LYS 36 3HZ LYS 36 -7.140 -4.926 -12.414 276 HZ2 LYS 36 1HZ LYS 36 -6.446 -4.594 -13.919 277 HZ3 LYS 36 2HZ LYS 36 -5.605 -5.529 -12.794 278 H ILE 37 H ILE 37 -6.816 -10.506 -9.381 279 HA ILE 37 HA ILE 37 -4.840 -8.462 -9.600 280 HB ILE 37 HB ILE 37 -5.421 -10.152 -7.159 281 HG12 ILE 37 2HG1 ILE 37 -7.518 -9.201 -7.942 282 HG13 ILE 37 3HG1 ILE 37 -6.993 -8.333 -6.503 283 HG21 ILE 37 1HG2 ILE 37 -3.369 -8.846 -7.005 284 HG22 ILE 37 2HG2 ILE 37 -4.598 -8.198 -5.920 285 HG23 ILE 37 3HG2 ILE 37 -4.248 -7.381 -7.443 286 HD11 ILE 37 3HD1 ILE 37 -6.177 -6.510 -7.913 287 HD12 ILE 37 1HD1 ILE 37 -7.894 -6.821 -8.165 288 HD13 ILE 37 2HD1 ILE 37 -6.714 -7.383 -9.349 289 H SER 38 H SER 38 -3.122 -9.265 -10.842 290 HA SER 38 HA SER 38 -1.701 -11.655 -9.957 291 HB2 SER 38 2HB SER 38 -1.176 -9.815 -12.308 292 HB3 SER 38 3HB SER 38 -0.341 -11.336 -11.996 293 HG SER 38 HG SER 38 -2.908 -10.868 -12.963 294 H LYS 39 H LYS 39 0.583 -11.679 -9.506 295 HA LYS 39 HA LYS 39 1.472 -9.922 -7.596 296 HB2 LYS 39 2HB LYS 39 2.581 -12.037 -7.877 297 HB3 LYS 39 3HB LYS 39 3.105 -11.612 -9.502 298 HG2 LYS 39 2HG LYS 39 4.527 -9.828 -8.550 299 HG3 LYS 39 3HG LYS 39 4.040 -10.330 -6.932 300 HD2 LYS 39 2HD LYS 39 5.368 -12.207 -8.885 301 HD3 LYS 39 3HD LYS 39 6.286 -11.182 -7.782 302 HE2 LYS 39 2HE LYS 39 5.065 -12.228 -5.882 303 HE3 LYS 39 3HE LYS 39 4.283 -13.318 -7.031 304 HZ1 LYS 39 3HZ LYS 39 7.228 -13.109 -6.736 305 HZ2 LYS 39 1HZ LYS 39 6.361 -14.285 -7.581 306 HZ3 LYS 39 2HZ LYS 39 6.295 -14.236 -5.895 307 H GLU 40 H GLU 40 2.623 -9.877 -10.999 308 HA GLU 40 HA GLU 40 4.211 -7.598 -10.777 309 HB2 GLU 40 2HB GLU 40 4.100 -7.430 -13.212 310 HB3 GLU 40 3HB GLU 40 4.303 -9.104 -12.712 311 HG2 GLU 40 2HG GLU 40 1.993 -9.585 -13.155 312 HG3 GLU 40 3HG GLU 40 1.651 -7.885 -13.462 313 H ALA 41 H ALA 41 0.750 -7.846 -11.392 314 HA ALA 41 HA ALA 41 0.233 -5.174 -12.116 315 HB1 ALA 41 3HB ALA 41 -2.087 -5.651 -11.532 316 HB2 ALA 41 1HB ALA 41 -1.585 -7.114 -10.684 317 HB3 ALA 41 2HB ALA 41 -1.379 -6.993 -12.431 318 H LEU 42 H LEU 42 0.112 -6.772 -8.936 319 HA LEU 42 HA LEU 42 -0.579 -4.476 -7.435 320 HB2 LEU 42 2HB LEU 42 -0.702 -6.914 -6.725 321 HB3 LEU 42 3HB LEU 42 1.026 -6.848 -6.453 322 HG LEU 42 HG LEU 42 -0.875 -4.978 -5.022 323 HD11 LEU 42 1HD1 LEU 42 -0.879 -6.535 -3.140 324 HD12 LEU 42 2HD1 LEU 42 0.038 -7.704 -4.090 325 HD13 LEU 42 3HD1 LEU 42 -1.604 -7.272 -4.569 326 HD21 LEU 42 3HD2 LEU 42 0.929 -4.861 -3.370 327 HD22 LEU 42 1HD2 LEU 42 1.503 -4.377 -4.965 328 HD23 LEU 42 2HD2 LEU 42 1.898 -5.976 -4.334 329 H LEU 43 H LEU 43 2.561 -5.916 -8.271 330 HA LEU 43 HA LEU 43 4.226 -4.210 -6.802 331 HB2 LEU 43 2HB LEU 43 4.761 -5.588 -9.437 332 HB3 LEU 43 3HB LEU 43 5.992 -4.846 -8.432 333 HG LEU 43 HG LEU 43 4.284 -7.224 -7.666 334 HD11 LEU 43 1HD1 LEU 43 6.372 -8.490 -7.797 335 HD12 LEU 43 2HD1 LEU 43 7.222 -7.044 -8.346 336 HD13 LEU 43 3HD1 LEU 43 5.966 -7.766 -9.353 337 HD21 LEU 43 3HD2 LEU 43 5.732 -7.368 -5.683 338 HD22 LEU 43 1HD2 LEU 43 4.804 -5.868 -5.711 339 HD23 LEU 43 2HD2 LEU 43 6.512 -5.856 -6.151 340 H GLU 44 H GLU 44 3.189 -3.905 -10.219 341 HA GLU 44 HA GLU 44 4.482 -1.472 -10.754 342 HB2 GLU 44 2HB GLU 44 1.958 -2.629 -11.953 343 HB3 GLU 44 3HB GLU 44 2.784 -1.213 -12.589 344 HG2 GLU 44 2HG GLU 44 3.933 -3.992 -12.388 345 HG3 GLU 44 3HG GLU 44 3.339 -3.215 -13.853 346 H CYS 45 H CYS 45 1.101 -2.029 -9.717 347 HA CYS 45 HA CYS 45 0.291 0.639 -9.594 348 HB2 CYS 45 2HB CYS 45 -0.587 -1.684 -7.861 349 HB3 CYS 45 3HB CYS 45 -1.414 -0.131 -7.939 350 HG CYS 45 HG CYS 45 -1.427 -2.683 -10.133 351 H ALA 46 H ALA 46 1.843 -1.332 -7.070 352 HA ALA 46 HA ALA 46 1.929 0.748 -5.120 353 HB1 ALA 46 3HB ALA 46 3.445 -0.724 -3.901 354 HB2 ALA 46 1HB ALA 46 3.618 -1.747 -5.328 355 HB3 ALA 46 2HB ALA 46 2.055 -1.620 -4.517 356 H ASP 47 H ASP 47 4.149 -0.310 -7.646 357 HA ASP 47 HA ASP 47 6.416 1.182 -6.976 358 HB2 ASP 47 2HB ASP 47 6.442 -0.537 -8.711 359 HB3 ASP 47 3HB ASP 47 5.338 0.410 -9.703 360 H LEU 48 H LEU 48 3.518 2.102 -8.798 361 HA LEU 48 HA LEU 48 4.276 4.680 -9.569 362 HB2 LEU 48 2HB LEU 48 1.547 3.622 -8.817 363 HB3 LEU 48 3HB LEU 48 1.823 5.176 -9.587 364 HG LEU 48 HG LEU 48 2.478 2.472 -10.780 365 HD11 LEU 48 1HD1 LEU 48 0.682 2.988 -12.365 366 HD12 LEU 48 2HD1 LEU 48 0.314 4.463 -11.469 367 HD13 LEU 48 3HD1 LEU 48 0.085 2.887 -10.709 368 HD21 LEU 48 3HD2 LEU 48 4.076 4.151 -11.507 369 HD22 LEU 48 1HD2 LEU 48 2.764 5.253 -11.932 370 HD23 LEU 48 2HD2 LEU 48 2.981 3.747 -12.827 371 H LEU 49 H LEU 49 2.708 3.608 -6.546 372 HA LEU 49 HA LEU 49 2.570 6.130 -5.293 373 HB2 LEU 49 2HB LEU 49 2.753 3.326 -4.208 374 HB3 LEU 49 3HB LEU 49 2.731 4.711 -3.135 375 HG LEU 49 HG LEU 49 0.521 5.359 -3.991 376 HD11 LEU 49 1HD1 LEU 49 0.653 2.814 -5.609 377 HD12 LEU 49 2HD1 LEU 49 0.708 4.452 -6.259 378 HD13 LEU 49 3HD1 LEU 49 -0.746 3.876 -5.446 379 HD21 LEU 49 3HD2 LEU 49 0.672 3.930 -2.029 380 HD22 LEU 49 1HD2 LEU 49 0.696 2.495 -3.054 381 HD23 LEU 49 2HD2 LEU 49 -0.743 3.510 -2.991 382 H SER 50 H SER 50 5.061 3.589 -5.023 383 HA SER 50 HA SER 50 6.815 4.868 -3.291 384 HB2 SER 50 2HB SER 50 7.120 2.532 -3.886 385 HB3 SER 50 3HB SER 50 7.456 2.964 -5.562 386 HG SER 50 HG SER 50 9.437 2.790 -4.752 387 H SER 51 H SER 51 6.611 5.155 -6.820 388 HA SER 51 HA SER 51 8.906 6.876 -7.033 389 HB2 SER 51 2HB SER 51 8.222 5.438 -8.911 390 HB3 SER 51 3HB SER 51 6.706 6.328 -9.048 391 HG SER 51 HG SER 51 7.755 7.644 -10.293 392 H ALA 52 H ALA 52 5.386 7.393 -7.146 393 HA ALA 52 HA ALA 52 5.439 10.130 -7.783 394 HB1 ALA 52 3HB ALA 52 3.105 10.169 -7.101 395 HB2 ALA 52 1HB ALA 52 3.303 8.627 -6.265 396 HB3 ALA 52 2HB ALA 52 3.449 8.703 -8.022 397 H LEU 53 H LEU 53 5.844 8.505 -4.706 398 HA LEU 53 HA LEU 53 5.394 10.818 -3.084 399 HB2 LEU 53 2HB LEU 53 6.732 8.174 -2.525 400 HB3 LEU 53 3HB LEU 53 6.550 9.425 -1.305 401 HG LEU 53 HG LEU 53 4.242 8.123 -2.769 402 HD11 LEU 53 1HD1 LEU 53 5.292 7.604 0.011 403 HD12 LEU 53 2HD1 LEU 53 5.366 6.495 -1.360 404 HD13 LEU 53 3HD1 LEU 53 3.806 6.941 -0.671 405 HD21 LEU 53 3HD2 LEU 53 3.759 10.386 -1.988 406 HD22 LEU 53 1HD2 LEU 53 4.294 9.951 -0.364 407 HD23 LEU 53 2HD2 LEU 53 2.861 9.190 -1.056 408 H THR 54 H THR 54 7.953 10.047 -5.142 409 HA THR 54 HA THR 54 9.946 11.553 -3.599 410 HB THR 54 HB THR 54 11.575 10.955 -5.250 411 HG1 THR 54 HG1 THR 54 9.745 9.606 -6.908 412 HG21 THR 54 3HG2 THR 54 11.437 8.505 -5.302 413 HG22 THR 54 1HG2 THR 54 9.733 8.588 -4.852 414 HG23 THR 54 2HG2 THR 54 10.971 9.133 -3.721 415 H GLU 55 H GLU 55 8.436 11.694 -6.816 416 HA GLU 55 HA GLU 55 9.243 14.376 -7.375 417 HB2 GLU 55 2HB GLU 55 7.715 14.184 -9.299 418 HB3 GLU 55 3HB GLU 55 8.742 12.762 -9.159 419 HG2 GLU 55 2HG GLU 55 6.920 11.506 -8.161 420 HG3 GLU 55 3HG GLU 55 5.887 12.932 -8.202 421 HA PRO 56 HA PRO 56 5.816 16.571 -5.446 422 HB2 PRO 56 2HB PRO 56 5.663 18.469 -7.673 423 HB3 PRO 56 3HB PRO 56 6.216 18.736 -6.019 424 HG2 PRO 56 2HG PRO 56 7.905 18.760 -8.140 425 HG3 PRO 56 3HG PRO 56 8.405 18.228 -6.524 426 HD2 PRO 56 2HD PRO 56 7.638 16.568 -8.910 427 HD3 PRO 56 3HD PRO 56 8.974 16.336 -7.759 428 H VAL 57 H VAL 57 3.792 15.789 -5.436 429 HA VAL 57 HA VAL 57 2.138 15.976 -7.852 430 HB VAL 57 HB VAL 57 1.128 13.712 -7.331 431 HG11 VAL 57 1HG1 VAL 57 2.658 14.025 -9.219 432 HG12 VAL 57 2HG1 VAL 57 2.848 12.430 -8.493 433 HG13 VAL 57 3HG1 VAL 57 4.035 13.694 -8.165 434 HG21 VAL 57 3HG2 VAL 57 3.610 13.424 -5.627 435 HG22 VAL 57 1HG2 VAL 57 2.502 12.117 -6.052 436 HG23 VAL 57 2HG2 VAL 57 1.943 13.458 -5.052 437 HA PRO 58 HA PRO 58 -1.031 17.333 -4.982 438 HB2 PRO 58 2HB PRO 58 -3.264 16.172 -6.117 439 HB3 PRO 58 3HB PRO 58 -2.528 17.675 -6.680 440 HG2 PRO 58 2HG PRO 58 -2.216 14.899 -7.752 441 HG3 PRO 58 3HG PRO 58 -2.388 16.427 -8.634 442 HD2 PRO 58 2HD PRO 58 0.003 15.225 -8.334 443 HD3 PRO 58 3HD PRO 58 -0.156 16.995 -8.335 444 H ASN 59 H ASN 59 -1.477 16.535 -2.996 445 HA ASN 59 HA ASN 59 -1.022 13.883 -2.249 446 HB2 ASN 59 2HB ASN 59 -2.686 15.984 -0.832 447 HB3 ASN 59 3HB ASN 59 -2.150 14.472 -0.106 448 HD21 ASN 59 1HD2 ASN 59 0.044 14.194 0.358 449 HD22 ASN 59 2HD2 ASN 59 1.135 15.526 0.423 450 H SER 60 H SER 60 -4.001 15.452 -3.270 451 HA SER 60 HA SER 60 -5.858 13.456 -2.686 452 HB2 SER 60 2HB SER 60 -5.796 15.267 -5.121 453 HB3 SER 60 3HB SER 60 -7.208 14.384 -4.537 454 HG SER 60 HG SER 60 -6.796 16.737 -3.894 455 H GLN 61 H GLN 61 -3.670 13.758 -5.464 456 HA GLN 61 HA GLN 61 -4.571 11.517 -6.929 457 HB2 GLN 61 2HB GLN 61 -3.115 13.198 -7.933 458 HB3 GLN 61 3HB GLN 61 -1.826 12.797 -6.807 459 HG2 GLN 61 2HG GLN 61 -1.728 10.521 -7.799 460 HG3 GLN 61 3HG GLN 61 -2.929 11.026 -8.986 461 HE21 GLN 61 1HE2 GLN 61 -0.216 10.104 -9.401 462 HE22 GLN 61 2HE2 GLN 61 0.607 11.370 -10.239 463 H LEU 62 H LEU 62 -1.987 11.859 -4.506 464 HA LEU 62 HA LEU 62 -1.027 9.245 -4.487 465 HB2 LEU 62 2HB LEU 62 -1.277 11.199 -2.198 466 HB3 LEU 62 3HB LEU 62 -0.336 9.720 -2.134 467 HG LEU 62 HG LEU 62 0.181 11.987 -4.068 468 HD11 LEU 62 1HD1 LEU 62 0.609 12.697 -1.771 469 HD12 LEU 62 2HD1 LEU 62 2.113 12.516 -2.673 470 HD13 LEU 62 3HD1 LEU 62 1.625 11.279 -1.514 471 HD21 LEU 62 3HD2 LEU 62 2.309 10.818 -4.460 472 HD22 LEU 62 1HD2 LEU 62 0.923 9.824 -4.904 473 HD23 LEU 62 2HD2 LEU 62 1.783 9.514 -3.394 474 H VAL 63 H VAL 63 -3.719 10.635 -2.621 475 HA VAL 63 HA VAL 63 -4.365 8.258 -1.212 476 HB VAL 63 HB VAL 63 -6.155 10.612 -1.867 477 HG11 VAL 63 1HG1 VAL 63 -7.497 9.879 0.062 478 HG12 VAL 63 2HG1 VAL 63 -6.468 8.455 0.229 479 HG13 VAL 63 3HG1 VAL 63 -7.463 8.660 -1.212 480 HG21 VAL 63 3HG2 VAL 63 -4.450 10.055 0.568 481 HG22 VAL 63 1HG2 VAL 63 -5.580 11.399 0.393 482 HG23 VAL 63 2HG2 VAL 63 -4.161 11.300 -0.647 483 H ASP 64 H ASP 64 -5.659 9.648 -4.241 484 HA ASP 64 HA ASP 64 -7.683 7.702 -4.623 485 HB2 ASP 64 2HB ASP 64 -7.762 9.846 -5.767 486 HB3 ASP 64 3HB ASP 64 -6.269 9.479 -6.626 487 H THR 65 H THR 65 -4.499 8.013 -6.231 488 HA THR 65 HA THR 65 -4.591 5.538 -7.570 489 HB THR 65 HB THR 65 -2.155 7.121 -6.693 490 HG1 THR 65 HG1 THR 65 -2.266 7.835 -8.930 491 HG21 THR 65 3HG2 THR 65 -1.545 4.815 -7.246 492 HG22 THR 65 1HG2 THR 65 -0.971 5.926 -8.491 493 HG23 THR 65 2HG2 THR 65 -2.408 4.943 -8.780 494 H GLY 66 H GLY 66 -3.502 6.401 -4.330 495 HA2 GLY 66 2HA GLY 66 -2.317 3.861 -3.743 496 HA3 GLY 66 3HA GLY 66 -2.721 5.114 -2.583 497 H HIS 67 H HIS 67 -5.569 5.154 -3.420 498 HA HIS 67 HA HIS 67 -6.530 3.388 -1.456 499 HB2 HIS 67 2HB HIS 67 -7.659 5.498 -2.245 500 HB3 HIS 67 3HB HIS 67 -8.173 4.619 -3.682 501 HD1 HIS 67 HD1 HIS 67 -10.280 3.250 -3.481 502 HD2 HIS 67 HD2 HIS 67 -8.813 4.472 0.211 503 HE1 HIS 67 HE1 HIS 67 -12.038 2.606 -1.812 504 HE2 HIS 67 HE2 HIS 67 -11.202 3.499 0.386 505 H GLN 68 H GLN 68 -6.293 3.005 -4.972 506 HA GLN 68 HA GLN 68 -7.950 0.720 -5.184 507 HB2 GLN 68 2HB GLN 68 -7.048 0.397 -7.381 508 HB3 GLN 68 3HB GLN 68 -7.229 2.126 -7.119 509 HG2 GLN 68 2HG GLN 68 -4.839 2.322 -6.680 510 HG3 GLN 68 3HG GLN 68 -4.648 0.583 -6.903 511 HE21 GLN 68 1HE2 GLN 68 -5.226 3.620 -8.485 512 HE22 GLN 68 2HE2 GLN 68 -4.947 3.061 -10.093 513 H LEU 69 H LEU 69 -4.672 1.080 -4.079 514 HA LEU 69 HA LEU 69 -3.763 -1.566 -4.402 515 HB2 LEU 69 2HB LEU 69 -3.054 0.654 -2.520 516 HB3 LEU 69 3HB LEU 69 -2.430 -0.951 -2.202 517 HG LEU 69 HG LEU 69 -0.787 0.389 -3.402 518 HD11 LEU 69 1HD1 LEU 69 -1.938 -1.796 -5.139 519 HD12 LEU 69 2HD1 LEU 69 -0.828 -2.020 -3.787 520 HD13 LEU 69 3HD1 LEU 69 -0.298 -1.151 -5.227 521 HD21 LEU 69 3HD2 LEU 69 -1.167 1.133 -5.699 522 HD22 LEU 69 1HD2 LEU 69 -2.294 1.904 -4.583 523 HD23 LEU 69 2HD2 LEU 69 -2.839 0.579 -5.611 524 H LEU 70 H LEU 70 -5.973 -0.163 -2.076 525 HA LEU 70 HA LEU 70 -6.016 -2.313 -0.232 526 HB2 LEU 70 2HB LEU 70 -7.930 -0.103 -0.906 527 HB3 LEU 70 3HB LEU 70 -8.443 -1.394 0.162 528 HG LEU 70 HG LEU 70 -7.672 0.551 1.431 529 HD11 LEU 70 1HD1 LEU 70 -5.861 -1.853 1.647 530 HD12 LEU 70 2HD1 LEU 70 -7.415 -1.620 2.450 531 HD13 LEU 70 3HD1 LEU 70 -6.042 -0.604 2.877 532 HD21 LEU 70 3HD2 LEU 70 -4.993 0.073 0.112 533 HD22 LEU 70 1HD2 LEU 70 -5.305 1.197 1.437 534 HD23 LEU 70 2HD2 LEU 70 -6.047 1.467 -0.142 535 H ASP 71 H ASP 71 -7.921 -1.671 -3.169 536 HA ASP 71 HA ASP 71 -9.564 -3.973 -2.982 537 HB2 ASP 71 2HB ASP 71 -9.968 -1.956 -4.453 538 HB3 ASP 71 3HB ASP 71 -8.713 -2.567 -5.526 539 H TYR 72 H TYR 72 -6.521 -3.361 -4.747 540 HA TYR 72 HA TYR 72 -6.193 -5.929 -5.832 541 HB2 TYR 72 2HB TYR 72 -4.294 -3.695 -5.184 542 HB3 TYR 72 3HB TYR 72 -3.657 -5.249 -5.706 543 HD1 TYR 72 HD1 TYR 72 -6.132 -2.635 -6.743 544 HD2 TYR 72 HD2 TYR 72 -3.420 -5.679 -7.981 545 HE1 TYR 72 HE1 TYR 72 -6.517 -2.019 -9.091 546 HE2 TYR 72 HE2 TYR 72 -3.801 -5.069 -10.331 547 HH TYR 72 HH TYR 72 -5.411 -2.215 -11.259 548 H CYS 73 H CYS 73 -4.936 -4.612 -2.762 549 HA CYS 73 HA CYS 73 -3.559 -6.941 -1.966 550 HB2 CYS 73 2HB CYS 73 -4.668 -4.648 -0.339 551 HB3 CYS 73 3HB CYS 73 -3.676 -5.931 0.348 552 HG CYS 73 HG CYS 73 -2.777 -3.288 -1.507 553 H SER 74 H SER 74 -6.861 -5.831 -1.213 554 HA SER 74 HA SER 74 -7.509 -7.909 0.593 555 HB2 SER 74 2HB SER 74 -9.857 -7.249 0.229 556 HB3 SER 74 3HB SER 74 -8.823 -5.839 0.457 557 HG SER 74 HG SER 74 -9.197 -5.226 -1.529 558 H GLY 75 H GLY 75 -7.550 -7.759 -2.907 559 HA2 GLY 75 2HA GLY 75 -8.938 -10.302 -3.178 560 HA3 GLY 75 3HA GLY 75 -8.249 -9.340 -4.479 561 H TYR 76 H TYR 76 -5.610 -9.122 -3.537 562 HA TYR 76 HA TYR 76 -4.486 -11.489 -4.571 563 HB2 TYR 76 2HB TYR 76 -3.458 -9.182 -4.600 564 HB3 TYR 76 3HB TYR 76 -3.056 -9.404 -2.903 565 HD1 TYR 76 HD2 TYR 76 -2.364 -10.572 -6.335 566 HD2 TYR 76 HD1 TYR 76 -1.177 -10.769 -2.248 567 HE1 TYR 76 HE2 TYR 76 -0.263 -11.661 -7.002 568 HE2 TYR 76 HE1 TYR 76 0.926 -11.858 -2.907 569 HH TYR 76 HH TYR 76 1.765 -13.226 -4.837 570 H VAL 77 H VAL 77 -4.992 -10.391 -1.251 571 HA VAL 77 HA VAL 77 -3.351 -12.229 0.079 572 HB VAL 77 HB VAL 77 -4.412 -10.230 1.133 573 HG11 VAL 77 1HG1 VAL 77 -6.881 -11.964 1.282 574 HG12 VAL 77 2HG1 VAL 77 -6.688 -10.533 0.268 575 HG13 VAL 77 3HG1 VAL 77 -6.672 -10.377 2.025 576 HG21 VAL 77 3HG2 VAL 77 -3.334 -11.925 2.508 577 HG22 VAL 77 1HG2 VAL 77 -4.834 -12.852 2.577 578 HG23 VAL 77 2HG2 VAL 77 -4.743 -11.264 3.339 579 H ASP 78 H ASP 78 -6.516 -12.667 -1.334 580 HA ASP 78 HA ASP 78 -7.358 -15.007 -0.046 581 HB2 ASP 78 2HB ASP 78 -8.798 -13.669 -1.531 582 HB3 ASP 78 3HB ASP 78 -7.817 -14.132 -2.917 583 H CYS 79 H CYS 79 -5.050 -14.511 -2.645 584 HA CYS 79 HA CYS 79 -4.822 -17.366 -3.202 585 HB2 CYS 79 2HB CYS 79 -3.394 -15.002 -4.441 586 HB3 CYS 79 3HB CYS 79 -3.263 -16.670 -4.988 587 HG CYS 79 HG CYS 79 -4.936 -14.994 -6.645 588 H ILE 80 H ILE 80 -3.627 -15.606 -0.763 589 HA ILE 80 HA ILE 80 -0.877 -16.613 -0.895 590 HB ILE 80 HB ILE 80 -2.195 -14.875 1.208 591 HG12 ILE 80 2HG1 ILE 80 -0.250 -14.158 -1.006 592 HG13 ILE 80 3HG1 ILE 80 -1.958 -13.728 -0.961 593 HG21 ILE 80 1HG2 ILE 80 0.710 -15.645 0.864 594 HG22 ILE 80 2HG2 ILE 80 -0.367 -16.188 2.151 595 HG23 ILE 80 3HG2 ILE 80 0.088 -14.488 2.043 596 HD11 ILE 80 3HD1 ILE 80 -1.550 -12.376 1.041 597 HD12 ILE 80 1HD1 ILE 80 -0.580 -11.844 -0.333 598 HD13 ILE 80 2HD1 ILE 80 0.164 -12.787 0.959 599 HA PRO 81 HA PRO 81 -2.307 -19.985 1.846 600 HB2 PRO 81 2HB PRO 81 -0.476 -21.806 1.066 601 HB3 PRO 81 3HB PRO 81 -1.927 -21.474 0.113 602 HG2 PRO 81 2HG PRO 81 0.875 -20.508 -0.301 603 HG3 PRO 81 3HG PRO 81 -0.306 -21.069 -1.499 604 HD2 PRO 81 2HD PRO 81 0.213 -18.415 -0.967 605 HD3 PRO 81 3HD PRO 81 -1.314 -19.014 -1.642 606 H GLN 82 H GLN 82 0.862 -18.514 1.353 607 HA GLN 82 HA GLN 82 2.156 -19.602 3.643 608 HB2 GLN 82 2HB GLN 82 2.680 -17.023 2.140 609 HB3 GLN 82 3HB GLN 82 3.722 -17.652 3.406 610 HG2 GLN 82 2HG GLN 82 4.734 -18.220 1.357 611 HG3 GLN 82 3HG GLN 82 4.034 -19.707 1.989 612 HE21 GLN 82 1HE2 GLN 82 4.000 -20.634 -0.060 613 HE22 GLN 82 2HE2 GLN 82 2.862 -20.153 -1.267 614 H THR 83 H THR 83 1.094 -19.399 5.586 615 HA THR 83 HA THR 83 -0.539 -17.212 6.299 616 HB THR 83 HB THR 83 0.831 -19.071 8.255 617 HG1 THR 83 HG1 THR 83 -1.162 -19.548 6.395 618 HG21 THR 83 3HG2 THR 83 -1.762 -17.513 8.418 619 HG22 THR 83 1HG2 THR 83 -0.268 -17.132 9.280 620 HG23 THR 83 2HG2 THR 83 -1.146 -18.616 9.649 621 H ARG 84 H ARG 84 2.879 -17.893 6.984 622 HA ARG 84 HA ARG 84 3.416 -15.821 8.780 623 HB2 ARG 84 2HB ARG 84 5.251 -16.869 6.610 624 HB3 ARG 84 3HB ARG 84 5.755 -15.965 8.029 625 HG2 ARG 84 2HG ARG 84 4.463 -18.690 8.073 626 HG3 ARG 84 3HG ARG 84 6.190 -18.376 8.214 627 HD2 ARG 84 2HD ARG 84 5.403 -18.714 10.420 628 HD3 ARG 84 3HD ARG 84 5.654 -16.979 10.253 629 HE ARG 84 HE ARG 84 3.376 -16.645 10.450 630 HH11 ARG 84 1HH1 ARG 84 4.026 -20.015 10.134 631 HH12 ARG 84 2HH1 ARG 84 2.436 -20.480 10.633 632 HH21 ARG 84 1HH2 ARG 84 1.344 -17.256 11.107 633 HH22 ARG 84 2HH2 ARG 84 0.951 -18.939 11.204 634 H ASN 85 H ASN 85 3.694 -15.758 5.219 635 HA ASN 85 HA ASN 85 4.268 -12.997 5.013 636 HB2 ASN 85 2HB ASN 85 3.060 -14.906 2.998 637 HB3 ASN 85 3HB ASN 85 3.548 -13.256 2.621 638 HD21 ASN 85 1HD2 ASN 85 5.115 -13.805 1.187 639 HD22 ASN 85 2HD2 ASN 85 6.581 -14.592 1.634 640 H LYS 86 H LYS 86 1.212 -14.798 4.813 641 HA LYS 86 HA LYS 86 -0.480 -12.726 4.057 642 HB2 LYS 86 2HB LYS 86 -1.037 -15.198 4.277 643 HB3 LYS 86 3HB LYS 86 -1.235 -14.915 5.997 644 HG2 LYS 86 2HG LYS 86 -2.958 -13.163 5.399 645 HG3 LYS 86 3HG LYS 86 -2.864 -13.766 3.745 646 HD2 LYS 86 2HD LYS 86 -4.727 -14.831 4.811 647 HD3 LYS 86 3HD LYS 86 -3.454 -16.041 4.620 648 HE2 LYS 86 2HE LYS 86 -2.807 -15.759 6.950 649 HE3 LYS 86 3HE LYS 86 -4.004 -14.478 7.146 650 HZ1 LYS 86 3HZ LYS 86 -4.805 -16.568 8.025 651 HZ2 LYS 86 1HZ LYS 86 -4.599 -17.317 6.523 652 HZ3 LYS 86 2HZ LYS 86 -5.746 -16.087 6.704 653 H PHE 87 H PHE 87 0.606 -13.669 7.295 654 HA PHE 87 HA PHE 87 -0.918 -11.894 8.834 655 HB2 PHE 87 2HB PHE 87 0.469 -13.788 9.700 656 HB3 PHE 87 3HB PHE 87 1.913 -12.840 9.369 657 HD1 PHE 87 HD2 PHE 87 -0.989 -13.250 11.555 658 HD2 PHE 87 HD1 PHE 87 2.509 -10.944 10.779 659 HE1 PHE 87 HE2 PHE 87 -1.147 -12.260 13.800 660 HE2 PHE 87 HE1 PHE 87 2.353 -9.953 13.024 661 HZ PHE 87 HZ PHE 87 0.525 -10.610 14.538 662 H ALA 88 H ALA 88 2.417 -11.495 7.619 663 HA ALA 88 HA ALA 88 2.773 -8.827 8.433 664 HB1 ALA 88 3HB ALA 88 4.671 -8.795 6.889 665 HB2 ALA 88 1HB ALA 88 4.089 -10.280 6.133 666 HB3 ALA 88 2HB ALA 88 4.629 -10.297 7.813 667 H PHE 89 H PHE 89 1.446 -10.203 5.489 668 HA PHE 89 HA PHE 89 1.274 -7.838 3.955 669 HB2 PHE 89 2HB PHE 89 1.113 -10.186 3.082 670 HB3 PHE 89 3HB PHE 89 -0.488 -10.301 3.797 671 HD1 PHE 89 HD2 PHE 89 1.525 -8.712 1.161 672 HD2 PHE 89 HD1 PHE 89 -2.391 -9.280 2.743 673 HE1 PHE 89 HE2 PHE 89 0.558 -7.801 -0.909 674 HE2 PHE 89 HE1 PHE 89 -3.360 -8.374 0.673 675 HZ PHE 89 HZ PHE 89 -1.885 -7.630 -1.153 676 H ARG 90 H ARG 90 -1.124 -9.504 5.999 677 HA ARG 90 HA ARG 90 -3.241 -7.682 5.580 678 HB2 ARG 90 2HB ARG 90 -2.698 -9.613 7.842 679 HB3 ARG 90 3HB ARG 90 -4.190 -8.700 7.687 680 HG2 ARG 90 2HG ARG 90 -3.202 -10.543 5.520 681 HG3 ARG 90 3HG ARG 90 -4.204 -11.103 6.858 682 HD2 ARG 90 2HD ARG 90 -5.609 -10.646 4.954 683 HD3 ARG 90 3HD ARG 90 -5.935 -9.456 6.213 684 HE ARG 90 HE ARG 90 -4.018 -8.585 4.251 685 HH11 ARG 90 1HH1 ARG 90 -7.376 -8.824 4.991 686 HH12 ARG 90 2HH1 ARG 90 -7.799 -7.490 3.975 687 HH21 ARG 90 1HH2 ARG 90 -4.605 -6.866 2.936 688 HH22 ARG 90 2HH2 ARG 90 -6.270 -6.407 2.839 689 H GLU 91 H GLU 91 -0.714 -7.804 8.096 690 HA GLU 91 HA GLU 91 -1.804 -5.615 9.574 691 HB2 GLU 91 2HB GLU 91 0.156 -5.707 10.928 692 HB3 GLU 91 3HB GLU 91 -0.281 -7.363 10.532 693 HG2 GLU 91 2HG GLU 91 1.467 -7.393 8.800 694 HG3 GLU 91 3HG GLU 91 1.921 -5.750 9.246 695 H ALA 92 H ALA 92 0.728 -5.871 7.089 696 HA ALA 92 HA ALA 92 1.590 -3.191 7.146 697 HB1 ALA 92 3HB ALA 92 2.488 -3.605 4.909 698 HB2 ALA 92 1HB ALA 92 1.534 -5.085 4.791 699 HB3 ALA 92 2HB ALA 92 2.824 -4.960 5.986 700 H VAL 93 H VAL 93 -0.911 -4.752 5.134 701 HA VAL 93 HA VAL 93 -1.754 -2.495 3.714 702 HB VAL 93 HB VAL 93 -3.316 -4.942 4.577 703 HG11 VAL 93 1HG1 VAL 93 -4.971 -4.336 2.863 704 HG12 VAL 93 2HG1 VAL 93 -4.123 -2.814 2.587 705 HG13 VAL 93 3HG1 VAL 93 -4.892 -3.125 4.144 706 HG21 VAL 93 3HG2 VAL 93 -2.073 -4.180 1.928 707 HG22 VAL 93 1HG2 VAL 93 -2.977 -5.659 2.260 708 HG23 VAL 93 2HG2 VAL 93 -1.433 -5.371 3.063 709 H SER 94 H SER 94 -2.642 -3.604 6.958 710 HA SER 94 HA SER 94 -4.739 -1.835 7.502 711 HB2 SER 94 2HB SER 94 -4.147 -3.656 9.034 712 HB3 SER 94 3HB SER 94 -2.622 -2.859 9.420 713 HG SER 94 HG SER 94 -5.248 -2.134 10.128 714 H LYS 95 H LYS 95 -1.237 -1.357 8.104 715 HA LYS 95 HA LYS 95 -1.420 1.287 9.033 716 HB2 LYS 95 2HB LYS 95 0.808 -0.234 7.692 717 HB3 LYS 95 3HB LYS 95 0.998 1.463 8.108 718 HG2 LYS 95 2HG LYS 95 1.970 0.094 9.830 719 HG3 LYS 95 3HG LYS 95 0.549 0.919 10.470 720 HD2 LYS 95 2HD LYS 95 -0.770 -1.135 10.167 721 HD3 LYS 95 3HD LYS 95 0.660 -1.955 9.533 722 HE2 LYS 95 2HE LYS 95 0.378 -0.795 12.310 723 HE3 LYS 95 3HE LYS 95 0.254 -2.503 11.891 724 HZ1 LYS 95 3HZ LYS 95 2.664 -0.803 11.546 725 HZ2 LYS 95 1HZ LYS 95 2.547 -2.436 11.121 726 HZ3 LYS 95 2HZ LYS 95 2.437 -1.976 12.743 727 H LEU 96 H LEU 96 -1.316 0.011 5.749 728 HA LEU 96 HA LEU 96 -0.872 2.451 4.403 729 HB2 LEU 96 2HB LEU 96 -0.602 0.236 3.354 730 HB3 LEU 96 3HB LEU 96 -2.335 -0.018 3.447 731 HG LEU 96 HG LEU 96 -2.666 1.928 1.918 732 HD11 LEU 96 1HD1 LEU 96 0.339 1.836 1.648 733 HD12 LEU 96 2HD1 LEU 96 -0.598 3.130 2.397 734 HD13 LEU 96 3HD1 LEU 96 -0.762 2.807 0.672 735 HD21 LEU 96 3HD2 LEU 96 -0.903 -0.272 0.829 736 HD22 LEU 96 1HD2 LEU 96 -1.974 0.767 -0.113 737 HD23 LEU 96 2HD2 LEU 96 -2.650 -0.364 1.059 738 H GLU 97 H GLU 97 -3.953 0.712 5.066 739 HA GLU 97 HA GLU 97 -5.606 2.671 3.869 740 HB2 GLU 97 2HB GLU 97 -7.476 1.586 5.090 741 HB3 GLU 97 3HB GLU 97 -6.457 0.440 4.235 742 HG2 GLU 97 2HG GLU 97 -5.342 -0.144 6.322 743 HG3 GLU 97 3HG GLU 97 -6.344 1.017 7.187 744 H LEU 98 H LEU 98 -4.574 2.247 7.254 745 HA LEU 98 HA LEU 98 -6.030 4.400 8.343 746 HB2 LEU 98 2HB LEU 98 -3.559 2.920 9.166 747 HB3 LEU 98 3HB LEU 98 -3.955 4.409 9.998 748 HG LEU 98 HG LEU 98 -4.768 2.472 11.240 749 HD11 LEU 98 1HD1 LEU 98 -7.019 4.084 10.040 750 HD12 LEU 98 2HD1 LEU 98 -6.016 4.556 11.412 751 HD13 LEU 98 3HD1 LEU 98 -7.090 3.164 11.543 752 HD21 LEU 98 3HD2 LEU 98 -6.583 1.073 10.364 753 HD22 LEU 98 1HD2 LEU 98 -5.108 0.909 9.413 754 HD23 LEU 98 2HD2 LEU 98 -6.446 1.881 8.802 755 H SER 99 H SER 99 -2.720 4.306 7.012 756 HA SER 99 HA SER 99 -2.171 7.045 7.548 757 HB2 SER 99 2HB SER 99 -0.400 5.325 7.224 758 HB3 SER 99 3HB SER 99 -0.807 5.267 5.509 759 HG SER 99 HG SER 99 -0.291 7.543 5.446 760 H LEU 100 H LEU 100 -3.668 5.420 4.819 761 HA LEU 100 HA LEU 100 -3.573 7.639 3.025 762 HB2 LEU 100 2HB LEU 100 -5.309 5.181 3.151 763 HB3 LEU 100 3HB LEU 100 -5.538 6.410 1.922 764 HG LEU 100 HG LEU 100 -2.982 4.840 2.329 765 HD11 LEU 100 1HD1 LEU 100 -4.785 3.401 1.536 766 HD12 LEU 100 2HD1 LEU 100 -3.600 3.679 0.260 767 HD13 LEU 100 3HD1 LEU 100 -5.139 4.540 0.236 768 HD21 LEU 100 3HD2 LEU 100 -2.600 7.057 1.373 769 HD22 LEU 100 1HD2 LEU 100 -3.815 6.743 0.132 770 HD23 LEU 100 2HD2 LEU 100 -2.325 5.797 0.171 771 H GLN 101 H GLN 101 -6.103 6.475 5.274 772 HA GLN 101 HA GLN 101 -7.985 8.475 4.541 773 HB2 GLN 101 2HB GLN 101 -9.285 7.757 6.470 774 HB3 GLN 101 3HB GLN 101 -8.682 6.366 5.580 775 HG2 GLN 101 2HG GLN 101 -6.938 6.036 7.249 776 HG3 GLN 101 3HG GLN 101 -7.490 7.463 8.124 777 HE21 GLN 101 1HE2 GLN 101 -7.926 6.319 9.985 778 HE22 GLN 101 2HE2 GLN 101 -9.263 5.235 10.121 779 H GLU 102 H GLU 102 -5.484 8.358 7.052 780 HA GLU 102 HA GLU 102 -6.335 10.804 8.291 781 HB2 GLU 102 2HB GLU 102 -4.285 10.701 9.577 782 HB3 GLU 102 3HB GLU 102 -5.024 9.107 9.523 783 HG2 GLU 102 2HG GLU 102 -3.442 8.453 7.761 784 HG3 GLU 102 3HG GLU 102 -2.684 10.040 7.873 785 H LEU 103 H LEU 103 -4.028 9.985 5.730 786 HA LEU 103 HA LEU 103 -2.704 12.454 5.563 787 HB2 LEU 103 2HB LEU 103 -1.896 10.496 4.372 788 HB3 LEU 103 3HB LEU 103 -3.335 10.479 3.365 789 HG LEU 103 HG LEU 103 -2.652 12.704 2.437 790 HD11 LEU 103 1HD1 LEU 103 -0.349 13.464 2.765 791 HD12 LEU 103 2HD1 LEU 103 -0.094 12.189 3.957 792 HD13 LEU 103 3HD1 LEU 103 -1.259 13.476 4.275 793 HD21 LEU 103 3HD2 LEU 103 -0.894 11.836 0.984 794 HD22 LEU 103 1HD2 LEU 103 -2.172 10.645 1.222 795 HD23 LEU 103 2HD2 LEU 103 -0.642 10.480 2.083 796 H GLN 104 H GLN 104 -5.528 11.326 3.685 797 HA GLN 104 HA GLN 104 -5.850 13.589 2.102 798 HB2 GLN 104 2HB GLN 104 -8.181 12.815 1.766 799 HB3 GLN 104 3HB GLN 104 -6.994 11.530 1.595 800 HG2 GLN 104 2HG GLN 104 -7.508 10.829 3.929 801 HG3 GLN 104 3HG GLN 104 -8.796 12.033 3.955 802 HE21 GLN 104 1HE2 GLN 104 -7.743 8.995 2.637 803 HE22 GLN 104 2HE2 GLN 104 -9.274 8.519 1.998 804 H VAL 105 H VAL 105 -6.908 13.091 5.422 805 HA VAL 105 HA VAL 105 -8.416 15.601 5.411 806 HB VAL 105 HB VAL 105 -9.112 15.038 7.672 807 HG11 VAL 105 1HG1 VAL 105 -10.389 14.087 5.827 808 HG12 VAL 105 2HG1 VAL 105 -10.368 12.979 7.198 809 HG13 VAL 105 3HG1 VAL 105 -9.335 12.673 5.802 810 HG21 VAL 105 3HG2 VAL 105 -7.072 14.005 8.513 811 HG22 VAL 105 1HG2 VAL 105 -7.296 12.630 7.429 812 HG23 VAL 105 2HG2 VAL 105 -8.443 12.919 8.738 813 H SER 106 H SER 106 -5.351 14.344 6.502 814 HA SER 106 HA SER 106 -4.783 16.817 8.006 815 HB2 SER 106 2HB SER 106 -4.353 14.704 9.195 816 HB3 SER 106 3HB SER 106 -3.245 14.203 7.920 817 HG SER 106 HG SER 106 -2.023 16.163 8.479 818 H SER 107 H SER 107 -4.635 16.105 4.933 819 HA SER 107 HA SER 107 -1.968 16.367 4.094 820 HB2 SER 107 2HB SER 107 -2.899 17.004 1.902 821 HB3 SER 107 3HB SER 107 -3.785 15.644 2.589 822 HG SER 107 HG SER 107 -5.311 17.056 1.873 823 H ALA 108 H ALA 108 -4.500 18.876 4.216 824 HA ALA 108 HA ALA 108 -4.436 21.127 4.521 825 HB1 ALA 108 3HB ALA 108 -3.289 20.486 6.610 826 HB2 ALA 108 1HB ALA 108 -2.752 22.053 6.001 827 HB3 ALA 108 2HB ALA 108 -1.738 20.627 5.783 828 H ALA 109 H ALA 109 -2.970 19.768 2.157 829 HA ALA 109 HA ALA 109 -1.883 22.218 1.019 830 HB1 ALA 109 3HB ALA 109 0.236 21.191 0.359 831 HB2 ALA 109 1HB ALA 109 -0.203 19.713 1.216 832 HB3 ALA 109 2HB ALA 109 0.064 21.206 2.114 833 H ALA 110 H ALA 110 -1.813 22.220 -1.250 834 HA ALA 110 HA ALA 110 -3.673 20.494 -2.562 835 HB1 ALA 110 3HB ALA 110 -1.772 22.515 -3.754 836 HB2 ALA 110 1HB ALA 110 -3.415 22.840 -3.199 837 HB3 ALA 110 2HB ALA 110 -3.144 21.770 -4.575 838 H GLY 111 H GLY 111 -0.233 20.423 -2.143 839 HA2 GLY 111 2HA GLY 111 0.273 17.851 -2.738 840 HA3 GLY 111 3HA GLY 111 0.239 18.577 -4.338 841 H VAL 112 H VAL 112 1.885 18.627 -1.208 842 HA VAL 112 HA VAL 112 4.210 19.917 -2.509 843 HB VAL 112 HB VAL 112 3.515 19.951 0.441 844 HG11 VAL 112 1HG1 VAL 112 5.915 20.081 0.067 845 HG12 VAL 112 2HG1 VAL 112 5.302 21.645 0.603 846 HG13 VAL 112 3HG1 VAL 112 5.687 21.386 -1.098 847 HG21 VAL 112 3HG2 VAL 112 3.224 22.114 -1.653 848 HG22 VAL 112 1HG2 VAL 112 3.018 22.352 0.083 849 HG23 VAL 112 2HG2 VAL 112 1.917 21.293 -0.798 850 HA PRO 113 HA PRO 113 6.168 15.935 -2.027 851 HB2 PRO 113 2HB PRO 113 8.764 16.778 -2.437 852 HB3 PRO 113 3HB PRO 113 7.601 16.462 -3.728 853 HG2 PRO 113 2HG PRO 113 8.371 19.074 -2.471 854 HG3 PRO 113 3HG PRO 113 8.117 18.688 -4.184 855 HD2 PRO 113 2HD PRO 113 6.238 19.957 -2.757 856 HD3 PRO 113 3HD PRO 113 5.799 18.752 -3.988 857 H GLY 114 H GLY 114 6.430 14.980 -0.118 858 HA2 GLY 114 2HA GLY 114 7.216 14.455 1.971 859 HA3 GLY 114 3HA GLY 114 8.627 15.414 1.567 860 H THR 115 H THR 115 5.481 16.946 1.644 861 HA THR 115 HA THR 115 6.334 18.874 3.543 862 HB THR 115 HB THR 115 4.636 19.480 1.927 863 HG1 THR 115 HG1 THR 115 3.320 19.525 4.449 864 HG21 THR 115 3HG2 THR 115 3.472 17.330 1.724 865 HG22 THR 115 1HG2 THR 115 2.335 18.635 2.066 866 HG23 THR 115 2HG2 THR 115 2.816 17.525 3.350 867 H ASN 116 H ASN 116 4.263 16.009 3.890 868 HA ASN 116 HA ASN 116 4.260 16.436 6.814 869 HB2 ASN 116 2HB ASN 116 2.098 15.082 5.175 870 HB3 ASN 116 3HB ASN 116 2.069 15.347 6.914 871 HD21 ASN 116 1HD2 ASN 116 0.163 16.234 4.954 872 HD22 ASN 116 2HD2 ASN 116 0.117 17.955 5.054 873 HA PRO 117 HA PRO 117 6.562 12.646 7.237 874 HB2 PRO 117 2HB PRO 117 4.781 12.255 9.613 875 HB3 PRO 117 3HB PRO 117 6.541 12.146 9.497 876 HG2 PRO 117 2HG PRO 117 5.412 14.290 10.583 877 HG3 PRO 117 3HG PRO 117 6.818 14.460 9.513 878 HD2 PRO 117 2HD PRO 117 3.933 15.019 8.955 879 HD3 PRO 117 3HD PRO 117 5.382 15.874 8.384 880 H VAL 118 H VAL 118 3.041 12.590 7.486 881 HA VAL 118 HA VAL 118 2.492 9.882 7.394 882 HB VAL 118 HB VAL 118 0.927 12.044 5.960 883 HG11 VAL 118 1HG1 VAL 118 -1.008 10.570 6.306 884 HG12 VAL 118 2HG1 VAL 118 0.050 9.351 7.016 885 HG13 VAL 118 3HG1 VAL 118 0.232 9.796 5.319 886 HG21 VAL 118 3HG2 VAL 118 0.699 11.087 8.819 887 HG22 VAL 118 1HG2 VAL 118 -0.366 12.253 8.031 888 HG23 VAL 118 2HG2 VAL 118 1.333 12.647 8.295 889 H LEU 119 H LEU 119 3.496 11.992 4.761 890 HA LEU 119 HA LEU 119 2.948 10.292 2.583 891 HB2 LEU 119 2HB LEU 119 5.145 12.347 2.911 892 HB3 LEU 119 3HB LEU 119 4.688 11.606 1.386 893 HG LEU 119 HG LEU 119 2.897 13.370 3.079 894 HD11 LEU 119 1HD1 LEU 119 4.313 13.955 0.474 895 HD12 LEU 119 2HD1 LEU 119 4.720 14.631 2.051 896 HD13 LEU 119 3HD1 LEU 119 3.174 15.020 1.299 897 HD21 LEU 119 3HD2 LEU 119 1.628 11.707 1.832 898 HD22 LEU 119 1HD2 LEU 119 2.464 12.157 0.344 899 HD23 LEU 119 2HD2 LEU 119 1.394 13.312 1.141 900 H ASN 120 H ASN 120 5.809 10.581 4.656 901 HA ASN 120 HA ASN 120 7.346 8.593 3.314 902 HB2 ASN 120 2HB ASN 120 7.590 9.643 6.147 903 HB3 ASN 120 3HB ASN 120 8.798 8.671 5.311 904 HD21 ASN 120 1HD2 ASN 120 10.365 10.255 5.473 905 HD22 ASN 120 2HD2 ASN 120 10.308 11.710 4.542 906 H ASN 121 H ASN 121 5.095 8.533 6.031 907 HA ASN 121 HA ASN 121 5.524 5.858 6.829 908 HB2 ASN 121 2HB ASN 121 2.989 7.506 7.041 909 HB3 ASN 121 3HB ASN 121 3.327 6.025 7.934 910 HD21 ASN 121 1HD2 ASN 121 2.730 8.564 9.058 911 HD22 ASN 121 2HD2 ASN 121 4.107 9.057 9.977 912 H LEU 122 H LEU 122 3.294 7.268 4.433 913 HA LEU 122 HA LEU 122 2.127 4.882 3.527 914 HB2 LEU 122 2HB LEU 122 2.766 7.462 2.105 915 HB3 LEU 122 3HB LEU 122 1.975 6.126 1.289 916 HG LEU 122 HG LEU 122 0.892 7.617 3.690 917 HD11 LEU 122 1HD1 LEU 122 -0.802 8.432 2.118 918 HD12 LEU 122 2HD1 LEU 122 0.031 7.615 0.795 919 HD13 LEU 122 3HD1 LEU 122 0.819 8.944 1.648 920 HD21 LEU 122 3HD2 LEU 122 -1.152 6.298 3.304 921 HD22 LEU 122 1HD2 LEU 122 0.220 5.276 3.731 922 HD23 LEU 122 2HD2 LEU 122 -0.313 5.378 2.054 923 H LEU 123 H LEU 123 5.054 6.549 2.368 924 HA LEU 123 HA LEU 123 5.883 4.759 0.421 925 HB2 LEU 123 2HB LEU 123 6.919 6.957 0.883 926 HB3 LEU 123 3HB LEU 123 7.621 6.310 2.352 927 HG LEU 123 HG LEU 123 8.998 4.760 1.028 928 HD11 LEU 123 1HD1 LEU 123 9.112 4.975 -1.406 929 HD12 LEU 123 2HD1 LEU 123 7.772 6.120 -1.372 930 HD13 LEU 123 3HD1 LEU 123 7.514 4.445 -0.880 931 HD21 LEU 123 3HD2 LEU 123 10.489 6.431 0.026 932 HD22 LEU 123 1HD2 LEU 123 9.905 6.945 1.609 933 HD23 LEU 123 2HD2 LEU 123 9.211 7.642 0.144 934 H SER 124 H SER 124 6.600 4.685 3.912 935 HA SER 124 HA SER 124 8.134 2.350 3.995 936 HB2 SER 124 2HB SER 124 7.933 3.784 5.952 937 HB3 SER 124 3HB SER 124 6.207 3.442 6.067 938 HG SER 124 HG SER 124 7.472 2.184 7.524 939 H CYS 125 H CYS 125 4.600 2.701 4.355 940 HA CYS 125 HA CYS 125 3.973 -0.010 4.684 941 HB2 CYS 125 2HB CYS 125 2.309 2.196 3.440 942 HB3 CYS 125 3HB CYS 125 1.685 0.621 3.918 943 HG CYS 125 HG CYS 125 2.529 3.265 5.845 944 H VAL 126 H VAL 126 4.206 1.912 1.694 945 HA VAL 126 HA VAL 126 3.435 -0.106 -0.110 946 HB VAL 126 HB VAL 126 5.339 2.207 -0.579 947 HG11 VAL 126 1HG1 VAL 126 5.605 0.535 -2.318 948 HG12 VAL 126 2HG1 VAL 126 4.746 1.932 -2.967 949 HG13 VAL 126 3HG1 VAL 126 3.859 0.463 -2.556 950 HG21 VAL 126 3HG2 VAL 126 2.364 1.977 -1.064 951 HG22 VAL 126 1HG2 VAL 126 3.374 3.359 -1.492 952 HG23 VAL 126 2HG2 VAL 126 3.138 2.931 0.202 953 H GLN 127 H GLN 127 6.687 0.885 0.961 954 HA GLN 127 HA GLN 127 8.159 -1.064 -0.437 955 HB2 GLN 127 2HB GLN 127 8.780 0.343 2.175 956 HB3 GLN 127 3HB GLN 127 9.947 -0.589 1.245 957 HG2 GLN 127 2HG GLN 127 9.843 0.960 -0.578 958 HG3 GLN 127 3HG GLN 127 8.491 1.817 0.158 959 HE21 GLN 127 1HE2 GLN 127 11.120 2.799 -0.680 960 HE22 GLN 127 2HE2 GLN 127 11.823 3.525 0.718 961 H GLU 128 H GLU 128 6.509 -1.180 2.660 962 HA GLU 128 HA GLU 128 7.544 -3.667 3.564 963 HB2 GLU 128 2HB GLU 128 6.476 -1.991 5.030 964 HB3 GLU 128 3HB GLU 128 4.935 -2.288 4.245 965 HG2 GLU 128 2HG GLU 128 4.898 -3.447 6.306 966 HG3 GLU 128 3HG GLU 128 5.087 -4.662 5.045 967 H ILE 129 H ILE 129 4.385 -2.854 2.087 968 HA ILE 129 HA ILE 129 3.367 -5.459 1.946 969 HB ILE 129 HB ILE 129 2.765 -3.120 0.117 970 HG12 ILE 129 2HG1 ILE 129 1.297 -4.093 2.584 971 HG13 ILE 129 3HG1 ILE 129 2.375 -2.702 2.544 972 HG21 ILE 129 1HG2 ILE 129 2.037 -5.227 -0.890 973 HG22 ILE 129 2HG2 ILE 129 0.649 -4.273 -0.371 974 HG23 ILE 129 3HG2 ILE 129 1.178 -5.651 0.592 975 HD11 ILE 129 3HD1 ILE 129 -0.186 -2.986 0.983 976 HD12 ILE 129 1HD1 ILE 129 0.886 -1.586 0.972 977 HD13 ILE 129 2HD1 ILE 129 0.039 -2.036 2.453 978 H SER 130 H SER 130 4.988 -3.577 -0.637 979 HA SER 130 HA SER 130 4.971 -5.535 -2.622 980 HB2 SER 130 2HB SER 130 6.904 -4.321 -3.613 981 HB3 SER 130 3HB SER 130 5.610 -3.232 -3.111 982 HG SER 130 HG SER 130 6.859 -2.415 -1.599 983 H ASP 131 H ASP 131 7.357 -4.963 -0.052 984 HA ASP 131 HA ASP 131 9.194 -6.963 -0.733 985 HB2 ASP 131 2HB ASP 131 9.755 -5.305 0.915 986 HB3 ASP 131 3HB ASP 131 8.423 -5.806 1.952 987 H VAL 132 H VAL 132 6.396 -7.146 1.483 988 HA VAL 132 HA VAL 132 6.635 -9.832 2.212 989 HB VAL 132 HB VAL 132 4.087 -8.220 1.893 990 HG11 VAL 132 1HG1 VAL 132 4.574 -10.791 3.412 991 HG12 VAL 132 2HG1 VAL 132 3.582 -10.605 1.966 992 HG13 VAL 132 3HG1 VAL 132 3.095 -9.832 3.473 993 HG21 VAL 132 3HG2 VAL 132 4.294 -7.844 4.319 994 HG22 VAL 132 1HG2 VAL 132 5.677 -7.189 3.441 995 HG23 VAL 132 2HG2 VAL 132 5.830 -8.710 4.318 996 H VAL 133 H VAL 133 5.122 -8.393 -0.640 997 HA VAL 133 HA VAL 133 4.016 -10.784 -1.698 998 HB VAL 133 HB VAL 133 4.898 -8.283 -3.166 999 HG11 VAL 133 1HG1 VAL 133 3.340 -9.009 -4.935 1000 HG12 VAL 133 2HG1 VAL 133 3.065 -10.517 -4.062 1001 HG13 VAL 133 3HG1 VAL 133 4.665 -10.151 -4.708 1002 HG21 VAL 133 3HG2 VAL 133 2.522 -7.640 -3.062 1003 HG22 VAL 133 1HG2 VAL 133 3.233 -7.792 -1.454 1004 HG23 VAL 133 2HG2 VAL 133 2.185 -9.064 -2.079 1005 H GLN 134 H GLN 134 7.214 -9.301 -1.978 1006 HA GLN 134 HA GLN 134 8.164 -11.007 -4.055 1007 HB2 GLN 134 2HB GLN 134 9.654 -9.330 -2.025 1008 HB3 GLN 134 3HB GLN 134 10.434 -10.194 -3.345 1009 HG2 GLN 134 2HG GLN 134 9.080 -8.884 -4.953 1010 HG3 GLN 134 3HG GLN 134 8.411 -7.975 -3.598 1011 HE21 GLN 134 1HE2 GLN 134 10.065 -7.152 -5.919 1012 HE22 GLN 134 2HE2 GLN 134 11.420 -6.328 -5.232 1013 H ARG 135 H ARG 135 8.002 -11.336 -0.579 1014 HA ARG 135 HA ARG 135 10.019 -13.252 -0.166 1015 HB2 ARG 135 2HB ARG 135 7.438 -12.969 1.387 1016 HB3 ARG 135 3HB ARG 135 8.914 -13.743 1.946 1017 HG2 ARG 135 2HG ARG 135 10.072 -11.592 1.896 1018 HG3 ARG 135 3HG ARG 135 8.605 -10.812 1.298 1019 HD2 ARG 135 2HD ARG 135 7.440 -11.591 3.372 1020 HD3 ARG 135 3HD ARG 135 8.997 -12.161 3.971 1021 HE ARG 135 HE ARG 135 9.195 -9.440 3.256 1022 HH11 ARG 135 1HH1 ARG 135 7.792 -11.481 5.661 1023 HH12 ARG 135 2HH1 ARG 135 7.806 -10.243 6.870 1024 HH21 ARG 135 1HH2 ARG 135 9.198 -7.868 4.807 1025 HH22 ARG 135 2HH2 ARG 135 8.598 -8.217 6.393 Start of MODEL 12 1 H1 MET 1 1H MET 1 -46.257 32.843 -3.802 2 H2 MET 1 2H MET 1 -46.903 32.170 -5.211 3 H3 MET 1 3H MET 1 -47.907 33.002 -4.138 4 HA MET 1 HA MET 1 -47.398 34.331 -6.097 5 HB2 MET 1 2HB MET 1 -46.175 35.328 -3.508 6 HB3 MET 1 3HB MET 1 -46.595 36.351 -4.876 7 HG2 MET 1 2HG MET 1 -48.521 34.706 -3.243 8 HG3 MET 1 3HG MET 1 -48.293 36.452 -3.138 9 HE1 MET 1 3HE MET 1 -48.006 37.452 -6.024 10 HE2 MET 1 1HE MET 1 -49.169 38.188 -4.921 11 HE3 MET 1 2HE MET 1 -49.667 37.721 -6.548 12 H GLY 2 H GLY 2 -45.931 35.125 -7.565 13 HA2 GLY 2 2HA GLY 2 -43.929 35.448 -8.656 14 HA3 GLY 2 3HA GLY 2 -43.116 35.268 -7.110 15 H HIS 3 H HIS 3 -42.512 33.143 -6.410 16 HA HIS 3 HA HIS 3 -41.936 31.341 -8.629 17 HB2 HIS 3 2HB HIS 3 -40.194 31.955 -6.913 18 HB3 HIS 3 3HB HIS 3 -41.129 31.056 -5.723 19 HD1 HIS 3 HD1 HIS 3 -38.572 30.660 -8.303 20 HD2 HIS 3 HD2 HIS 3 -41.264 28.191 -6.315 21 HE1 HIS 3 HE1 HIS 3 -37.754 28.318 -8.692 22 HE2 HIS 3 HE2 HIS 3 -39.351 26.849 -7.422 23 H HIS 4 H HIS 4 -43.244 29.706 -9.120 24 HA HIS 4 HA HIS 4 -45.476 29.024 -7.441 25 HB2 HIS 4 2HB HIS 4 -44.545 27.855 -10.077 26 HB3 HIS 4 3HB HIS 4 -46.067 27.461 -9.285 27 HD1 HIS 4 HD1 HIS 4 -47.378 28.377 -11.332 28 HD2 HIS 4 HD2 HIS 4 -45.037 31.222 -9.409 29 HE1 HIS 4 HE1 HIS 4 -48.134 30.595 -12.233 30 HE2 HIS 4 HE2 HIS 4 -46.814 32.301 -10.942 31 H HIS 5 H HIS 5 -45.431 27.594 -5.858 32 HA HIS 5 HA HIS 5 -43.255 26.010 -5.146 33 HB2 HIS 5 2HB HIS 5 -45.041 24.805 -3.677 34 HB3 HIS 5 3HB HIS 5 -44.702 26.507 -3.395 35 HD1 HIS 5 HD1 HIS 5 -46.727 27.883 -3.133 36 HD2 HIS 5 HD2 HIS 5 -47.456 24.550 -5.499 37 HE1 HIS 5 HE1 HIS 5 -49.156 28.013 -3.744 38 HE2 HIS 5 HE2 HIS 5 -49.598 25.933 -5.082 39 H HIS 6 H HIS 6 -42.445 24.523 -6.540 40 HA HIS 6 HA HIS 6 -44.108 22.151 -7.020 41 HB2 HIS 6 2HB HIS 6 -42.452 23.579 -9.107 42 HB3 HIS 6 3HB HIS 6 -42.931 21.893 -9.275 43 HD1 HIS 6 HD1 HIS 6 -45.369 21.405 -9.884 44 HD2 HIS 6 HD2 HIS 6 -44.569 25.452 -9.370 45 HE1 HIS 6 HE1 HIS 6 -47.388 22.609 -10.759 46 HE2 HIS 6 HE2 HIS 6 -46.962 25.030 -10.247 47 H HIS 7 H HIS 7 -43.159 20.648 -5.800 48 HA HIS 7 HA HIS 7 -40.436 20.639 -5.060 49 HB2 HIS 7 2HB HIS 7 -42.168 19.526 -3.727 50 HB3 HIS 7 3HB HIS 7 -42.440 18.366 -5.023 51 HD1 HIS 7 HD1 HIS 7 -40.836 16.415 -5.215 52 HD2 HIS 7 HD2 HIS 7 -39.743 19.128 -2.269 53 HE1 HIS 7 HE1 HIS 7 -39.001 15.295 -3.918 54 HE2 HIS 7 HE2 HIS 7 -38.246 17.023 -2.256 55 H HIS 8 H HIS 8 -39.079 20.740 -6.820 56 HA HIS 8 HA HIS 8 -39.300 19.053 -9.114 57 HB2 HIS 8 2HB HIS 8 -36.840 20.566 -8.202 58 HB3 HIS 8 3HB HIS 8 -37.232 20.048 -9.840 59 HD1 HIS 8 HD1 HIS 8 -37.198 22.974 -7.869 60 HD2 HIS 8 HD2 HIS 8 -39.863 21.403 -10.644 61 HE1 HIS 8 HE1 HIS 8 -38.609 24.905 -8.614 62 HE2 HIS 8 HE2 HIS 8 -40.334 23.896 -10.130 63 H SER 9 H SER 9 -39.182 16.878 -8.680 64 HA SER 9 HA SER 9 -36.782 15.896 -7.257 65 HB2 SER 9 2HB SER 9 -38.865 15.255 -6.137 66 HB3 SER 9 3HB SER 9 -39.461 14.523 -7.627 67 HG SER 9 HG SER 9 -38.186 13.272 -5.806 68 H HIS 10 H HIS 10 -35.808 13.920 -8.009 69 HA HIS 10 HA HIS 10 -36.337 13.224 -10.823 70 HB2 HIS 10 2HB HIS 10 -33.600 13.688 -9.599 71 HB3 HIS 10 3HB HIS 10 -33.879 12.997 -11.193 72 HD1 HIS 10 HD1 HIS 10 -33.608 16.196 -9.405 73 HD2 HIS 10 HD2 HIS 10 -34.991 14.863 -13.089 74 HE1 HIS 10 HE1 HIS 10 -33.801 18.249 -10.835 75 HE2 HIS 10 HE2 HIS 10 -34.842 17.439 -12.976 76 H MET 11 H MET 11 -36.794 11.110 -10.967 77 HA MET 11 HA MET 11 -36.466 9.269 -8.851 78 HB2 MET 11 2HB MET 11 -37.004 8.793 -11.791 79 HB3 MET 11 3HB MET 11 -37.122 7.554 -10.549 80 HG2 MET 11 2HG MET 11 -38.913 8.744 -9.460 81 HG3 MET 11 3HG MET 11 -38.746 10.092 -10.583 82 HE1 MET 11 3HE MET 11 -39.443 10.013 -13.122 83 HE2 MET 11 1HE MET 11 -39.953 8.541 -13.948 84 HE3 MET 11 2HE MET 11 -38.299 8.691 -13.354 85 H ALA 12 H ALA 12 -34.934 7.722 -8.409 86 HA ALA 12 HA ALA 12 -32.431 7.927 -9.968 87 HB1 ALA 12 3HB ALA 12 -31.231 7.432 -7.904 88 HB2 ALA 12 1HB ALA 12 -32.760 7.300 -7.033 89 HB3 ALA 12 2HB ALA 12 -32.261 8.850 -7.712 90 H ASN 13 H ASN 13 -31.268 6.114 -10.486 91 HA ASN 13 HA ASN 13 -32.675 3.576 -10.487 92 HB2 ASN 13 2HB ASN 13 -30.621 2.825 -11.798 93 HB3 ASN 13 3HB ASN 13 -31.585 4.101 -12.532 94 HD21 ASN 13 1HD2 ASN 13 -28.586 3.360 -10.914 95 HD22 ASN 13 2HD2 ASN 13 -27.783 4.830 -11.334 96 H GLY 14 H GLY 14 -31.716 1.576 -9.743 97 HA2 GLY 14 2HA GLY 14 -30.604 0.221 -8.246 98 HA3 GLY 14 3HA GLY 14 -29.393 1.485 -8.103 99 H ALA 15 H ALA 15 -32.848 1.656 -7.347 100 HA ALA 15 HA ALA 15 -32.468 3.148 -4.998 101 HB1 ALA 15 3HB ALA 15 -34.536 3.191 -6.303 102 HB2 ALA 15 1HB ALA 15 -34.856 2.819 -4.608 103 HB3 ALA 15 2HB ALA 15 -34.886 1.532 -5.815 104 H ALA 16 H ALA 16 -33.227 -0.313 -5.393 105 HA ALA 16 HA ALA 16 -32.300 -0.754 -2.622 106 HB1 ALA 16 3HB ALA 16 -34.746 -0.804 -2.636 107 HB2 ALA 16 1HB ALA 16 -34.074 -2.394 -2.273 108 HB3 ALA 16 2HB ALA 16 -34.719 -2.055 -3.880 109 H GLY 17 H GLY 17 -30.741 -2.257 -2.464 110 HA2 GLY 17 2HA GLY 17 -30.004 -3.803 -4.820 111 HA3 GLY 17 3HA GLY 17 -29.094 -3.670 -3.325 112 H THR 18 H THR 18 -32.488 -4.622 -3.568 113 HA THR 18 HA THR 18 -32.294 -6.811 -1.845 114 HB THR 18 HB THR 18 -34.357 -6.356 -4.021 115 HG1 THR 18 HG1 THR 18 -35.296 -5.728 -1.635 116 HG21 THR 18 3HG2 THR 18 -34.452 -8.642 -3.146 117 HG22 THR 18 1HG2 THR 18 -35.847 -7.711 -2.603 118 HG23 THR 18 2HG2 THR 18 -34.509 -8.020 -1.496 119 H LYS 19 H LYS 19 -31.816 -6.640 -5.303 120 HA LYS 19 HA LYS 19 -31.919 -9.398 -5.907 121 HB2 LYS 19 2HB LYS 19 -30.703 -8.784 -7.964 122 HB3 LYS 19 3HB LYS 19 -32.053 -7.700 -7.648 123 HG2 LYS 19 2HG LYS 19 -30.537 -6.009 -6.795 124 HG3 LYS 19 3HG LYS 19 -29.171 -7.103 -7.003 125 HD2 LYS 19 2HD LYS 19 -29.672 -7.159 -9.451 126 HD3 LYS 19 3HD LYS 19 -30.906 -5.926 -9.176 127 HE2 LYS 19 2HE LYS 19 -29.229 -4.377 -8.364 128 HE3 LYS 19 3HE LYS 19 -27.978 -5.612 -8.503 129 HZ1 LYS 19 3HZ LYS 19 -28.283 -5.629 -10.881 130 HZ2 LYS 19 1HZ LYS 19 -27.966 -4.051 -10.365 131 HZ3 LYS 19 2HZ LYS 19 -29.543 -4.510 -10.771 132 H VAL 20 H VAL 20 -29.422 -7.446 -4.441 133 HA VAL 20 HA VAL 20 -27.515 -9.695 -4.613 134 HB VAL 20 HB VAL 20 -26.880 -6.807 -3.950 135 HG11 VAL 20 1HG1 VAL 20 -24.533 -7.499 -4.262 136 HG12 VAL 20 2HG1 VAL 20 -25.064 -9.165 -4.493 137 HG13 VAL 20 3HG1 VAL 20 -25.309 -8.369 -2.939 138 HG21 VAL 20 3HG2 VAL 20 -26.500 -8.328 -6.534 139 HG22 VAL 20 1HG2 VAL 20 -25.827 -6.733 -6.190 140 HG23 VAL 20 2HG2 VAL 20 -27.572 -6.956 -6.260 141 H ALA 21 H ALA 21 -28.479 -10.829 -2.875 142 HA ALA 21 HA ALA 21 -27.617 -9.851 -0.236 143 HB1 ALA 21 3HB ALA 21 -30.024 -9.385 -0.411 144 HB2 ALA 21 1HB ALA 21 -29.685 -10.610 0.814 145 HB3 ALA 21 2HB ALA 21 -30.325 -11.086 -0.760 146 H LEU 22 H LEU 22 -28.998 -12.655 -1.965 147 HA LEU 22 HA LEU 22 -27.645 -14.565 -0.269 148 HB2 LEU 22 2HB LEU 22 -29.039 -15.006 -2.920 149 HB3 LEU 22 3HB LEU 22 -28.590 -16.247 -1.764 150 HG LEU 22 HG LEU 22 -30.657 -14.084 -1.309 151 HD11 LEU 22 1HD1 LEU 22 -31.396 -15.775 -2.906 152 HD12 LEU 22 2HD1 LEU 22 -32.280 -15.901 -1.386 153 HD13 LEU 22 3HD1 LEU 22 -30.994 -17.050 -1.755 154 HD21 LEU 22 3HD2 LEU 22 -31.186 -15.310 0.749 155 HD22 LEU 22 1HD2 LEU 22 -29.540 -14.678 0.771 156 HD23 LEU 22 2HD2 LEU 22 -29.823 -16.391 0.456 157 H ARG 23 H ARG 23 -27.207 -13.233 -3.510 158 HA ARG 23 HA ARG 23 -25.016 -14.992 -4.176 159 HB2 ARG 23 2HB ARG 23 -26.071 -12.536 -5.598 160 HB3 ARG 23 3HB ARG 23 -24.919 -13.686 -6.266 161 HG2 ARG 23 2HG ARG 23 -27.750 -14.354 -5.446 162 HG3 ARG 23 3HG ARG 23 -27.222 -14.020 -7.096 163 HD2 ARG 23 2HD ARG 23 -26.150 -16.255 -5.365 164 HD3 ARG 23 3HD ARG 23 -27.409 -16.448 -6.586 165 HE ARG 23 HE ARG 23 -25.261 -15.274 -7.867 166 HH11 ARG 23 1HH1 ARG 23 -25.849 -18.234 -6.186 167 HH12 ARG 23 2HH1 ARG 23 -24.697 -19.115 -7.130 168 HH21 ARG 23 1HH2 ARG 23 -23.842 -16.429 -9.099 169 HH22 ARG 23 2HH2 ARG 23 -23.603 -18.114 -8.787 170 H LYS 24 H LYS 24 -24.165 -13.883 -1.897 171 HA LYS 24 HA LYS 24 -22.374 -11.652 -2.515 172 HB2 LYS 24 2HB LYS 24 -22.880 -13.192 0.045 173 HB3 LYS 24 3HB LYS 24 -21.721 -11.876 -0.093 174 HG2 LYS 24 2HG LYS 24 -24.699 -11.653 -0.539 175 HG3 LYS 24 3HG LYS 24 -23.822 -11.131 0.902 176 HD2 LYS 24 2HD LYS 24 -22.518 -9.562 -0.515 177 HD3 LYS 24 3HD LYS 24 -23.503 -10.038 -1.899 178 HE2 LYS 24 2HE LYS 24 -24.329 -7.957 -0.970 179 HE3 LYS 24 3HE LYS 24 -25.515 -9.238 -0.720 180 HZ1 LYS 24 3HZ LYS 24 -25.287 -7.912 1.259 181 HZ2 LYS 24 1HZ LYS 24 -23.618 -8.182 1.306 182 HZ3 LYS 24 2HZ LYS 24 -24.689 -9.462 1.562 183 H THR 25 H THR 25 -22.216 -15.088 -1.680 184 HA THR 25 HA THR 25 -19.377 -15.276 -1.699 185 HB THR 25 HB THR 25 -20.699 -16.987 -0.571 186 HG1 THR 25 HG1 THR 25 -19.571 -18.795 -1.421 187 HG21 THR 25 3HG2 THR 25 -22.643 -17.040 -2.080 188 HG22 THR 25 1HG2 THR 25 -21.982 -18.657 -1.829 189 HG23 THR 25 2HG2 THR 25 -21.650 -17.793 -3.330 190 H LYS 26 H LYS 26 -18.190 -16.705 -3.310 191 HA LYS 26 HA LYS 26 -18.687 -15.474 -5.908 192 HB2 LYS 26 2HB LYS 26 -16.270 -16.983 -4.904 193 HB3 LYS 26 3HB LYS 26 -16.372 -16.074 -6.408 194 HG2 LYS 26 2HG LYS 26 -16.566 -14.939 -3.616 195 HG3 LYS 26 3HG LYS 26 -15.200 -14.780 -4.727 196 HD2 LYS 26 2HD LYS 26 -16.569 -13.500 -6.274 197 HD3 LYS 26 3HD LYS 26 -17.990 -13.733 -5.253 198 HE2 LYS 26 2HE LYS 26 -15.479 -12.266 -4.439 199 HE3 LYS 26 3HE LYS 26 -16.966 -11.500 -4.990 200 HZ1 LYS 26 3HZ LYS 26 -18.123 -12.432 -3.091 201 HZ2 LYS 26 1HZ LYS 26 -16.792 -11.523 -2.572 202 HZ3 LYS 26 2HZ LYS 26 -16.713 -13.209 -2.573 203 H GLN 27 H GLN 27 -18.424 -16.655 -7.905 204 HA GLN 27 HA GLN 27 -19.410 -19.429 -7.698 205 HB2 GLN 27 2HB GLN 27 -20.718 -18.927 -9.789 206 HB3 GLN 27 3HB GLN 27 -21.236 -18.043 -8.359 207 HG2 GLN 27 2HG GLN 27 -19.913 -16.089 -9.157 208 HG3 GLN 27 3HG GLN 27 -19.576 -16.978 -10.641 209 HE21 GLN 27 1HE2 GLN 27 -21.027 -14.457 -10.207 210 HE22 GLN 27 2HE2 GLN 27 -22.587 -14.694 -10.905 211 H ALA 28 H ALA 28 -17.468 -17.187 -9.664 212 HA ALA 28 HA ALA 28 -15.963 -19.455 -10.707 213 HB1 ALA 28 3HB ALA 28 -17.291 -17.482 -12.570 214 HB2 ALA 28 1HB ALA 28 -17.774 -19.162 -12.337 215 HB3 ALA 28 2HB ALA 28 -16.200 -18.785 -13.041 216 H ALA 29 H ALA 29 -13.858 -19.034 -10.777 217 HA ALA 29 HA ALA 29 -12.701 -16.664 -9.869 218 HB1 ALA 29 3HB ALA 29 -11.579 -18.860 -9.856 219 HB2 ALA 29 1HB ALA 29 -10.574 -17.603 -10.575 220 HB3 ALA 29 2HB ALA 29 -11.404 -18.767 -11.609 221 H GLU 30 H GLU 30 -13.499 -17.666 -13.138 222 HA GLU 30 HA GLU 30 -12.053 -15.794 -14.622 223 HB2 GLU 30 2HB GLU 30 -13.717 -16.215 -16.407 224 HB3 GLU 30 3HB GLU 30 -13.128 -17.694 -15.663 225 HG2 GLU 30 2HG GLU 30 -15.195 -17.733 -14.263 226 HG3 GLU 30 3HG GLU 30 -15.789 -16.361 -15.197 227 H LYS 31 H LYS 31 -14.843 -15.310 -12.642 228 HA LYS 31 HA LYS 31 -15.308 -12.630 -13.779 229 HB2 LYS 31 2HB LYS 31 -17.239 -14.223 -13.427 230 HB3 LYS 31 3HB LYS 31 -16.962 -14.092 -11.698 231 HG2 LYS 31 2HG LYS 31 -17.505 -11.658 -13.381 232 HG3 LYS 31 3HG LYS 31 -18.816 -12.661 -12.765 233 HD2 LYS 31 2HD LYS 31 -18.035 -12.270 -10.469 234 HD3 LYS 31 3HD LYS 31 -16.714 -11.277 -11.084 235 HE2 LYS 31 2HE LYS 31 -18.354 -9.706 -12.036 236 HE3 LYS 31 3HE LYS 31 -19.664 -10.690 -11.381 237 HZ1 LYS 31 3HZ LYS 31 -19.231 -8.856 -9.923 238 HZ2 LYS 31 1HZ LYS 31 -17.587 -9.244 -9.824 239 HZ3 LYS 31 2HZ LYS 31 -18.745 -10.279 -9.150 240 H ILE 32 H ILE 32 -14.285 -14.294 -10.860 241 HA ILE 32 HA ILE 32 -14.489 -12.211 -8.998 242 HB ILE 32 HB ILE 32 -12.420 -14.421 -9.014 243 HG12 ILE 32 2HG1 ILE 32 -15.171 -14.393 -7.737 244 HG13 ILE 32 3HG1 ILE 32 -14.765 -15.250 -9.220 245 HG21 ILE 32 1HG2 ILE 32 -12.387 -14.117 -6.581 246 HG22 ILE 32 2HG2 ILE 32 -13.526 -12.777 -6.731 247 HG23 ILE 32 3HG2 ILE 32 -11.908 -12.641 -7.420 248 HD11 ILE 32 3HD1 ILE 32 -13.596 -15.775 -6.496 249 HD12 ILE 32 1HD1 ILE 32 -13.168 -16.627 -7.982 250 HD13 ILE 32 2HD1 ILE 32 -14.801 -16.758 -7.328 251 H SER 33 H SER 33 -13.620 -10.219 -9.304 252 HA SER 33 HA SER 33 -11.292 -9.564 -10.707 253 HB2 SER 33 2HB SER 33 -12.517 -8.089 -8.355 254 HB3 SER 33 3HB SER 33 -11.345 -7.414 -9.488 255 HG SER 33 HG SER 33 -13.424 -6.818 -10.114 256 H ALA 34 H ALA 34 -11.740 -10.467 -7.336 257 HA ALA 34 HA ALA 34 -9.197 -9.904 -6.325 258 HB1 ALA 34 3HB ALA 34 -9.734 -11.422 -4.525 259 HB2 ALA 34 1HB ALA 34 -11.011 -12.170 -5.487 260 HB3 ALA 34 2HB ALA 34 -11.169 -10.495 -4.957 261 H ASP 35 H ASP 35 -10.256 -12.575 -8.333 262 HA ASP 35 HA ASP 35 -7.812 -14.103 -7.925 263 HB2 ASP 35 2HB ASP 35 -10.029 -15.212 -8.282 264 HB3 ASP 35 3HB ASP 35 -10.053 -14.562 -9.918 265 H LYS 36 H LYS 36 -9.154 -11.818 -10.173 266 HA LYS 36 HA LYS 36 -7.325 -12.146 -12.314 267 HB2 LYS 36 2HB LYS 36 -9.547 -10.932 -12.360 268 HB3 LYS 36 3HB LYS 36 -8.781 -9.613 -11.495 269 HG2 LYS 36 2HG LYS 36 -7.708 -10.562 -14.134 270 HG3 LYS 36 3HG LYS 36 -9.067 -9.443 -14.047 271 HD2 LYS 36 2HD LYS 36 -7.655 -7.887 -12.729 272 HD3 LYS 36 3HD LYS 36 -6.298 -8.998 -12.913 273 HE2 LYS 36 2HE LYS 36 -7.769 -7.619 -15.162 274 HE3 LYS 36 3HE LYS 36 -6.188 -7.161 -14.531 275 HZ1 LYS 36 3HZ LYS 36 -6.816 -9.780 -15.786 276 HZ2 LYS 36 1HZ LYS 36 -5.293 -9.254 -15.269 277 HZ3 LYS 36 2HZ LYS 36 -6.058 -8.487 -16.565 278 H ILE 37 H ILE 37 -7.143 -10.494 -9.242 279 HA ILE 37 HA ILE 37 -5.048 -8.694 -9.726 280 HB ILE 37 HB ILE 37 -5.533 -10.160 -7.123 281 HG12 ILE 37 2HG1 ILE 37 -7.632 -9.168 -7.853 282 HG13 ILE 37 3HG1 ILE 37 -6.979 -8.228 -6.516 283 HG21 ILE 37 1HG2 ILE 37 -4.244 -7.489 -7.713 284 HG22 ILE 37 2HG2 ILE 37 -3.424 -8.953 -7.173 285 HG23 ILE 37 3HG2 ILE 37 -4.559 -8.134 -6.101 286 HD11 ILE 37 3HD1 ILE 37 -7.913 -6.787 -8.217 287 HD12 ILE 37 1HD1 ILE 37 -6.853 -7.494 -9.436 288 HD13 ILE 37 2HD1 ILE 37 -6.170 -6.553 -8.110 289 H SER 38 H SER 38 -3.354 -9.546 -10.913 290 HA SER 38 HA SER 38 -1.995 -11.966 -10.035 291 HB2 SER 38 2HB SER 38 -1.326 -10.080 -12.318 292 HB3 SER 38 3HB SER 38 -0.600 -11.663 -12.038 293 HG SER 38 HG SER 38 -3.392 -11.271 -12.415 294 H LYS 39 H LYS 39 0.355 -11.999 -9.679 295 HA LYS 39 HA LYS 39 1.178 -10.306 -7.632 296 HB2 LYS 39 2HB LYS 39 2.133 -12.539 -8.080 297 HB3 LYS 39 3HB LYS 39 2.926 -11.910 -9.517 298 HG2 LYS 39 2HG LYS 39 4.274 -10.414 -8.133 299 HG3 LYS 39 3HG LYS 39 3.461 -11.017 -6.687 300 HD2 LYS 39 2HD LYS 39 4.331 -13.276 -7.158 301 HD3 LYS 39 3HD LYS 39 5.163 -12.650 -8.583 302 HE2 LYS 39 2HE LYS 39 6.471 -11.145 -7.128 303 HE3 LYS 39 3HE LYS 39 5.663 -11.830 -5.718 304 HZ1 LYS 39 3HZ LYS 39 7.380 -13.320 -7.623 305 HZ2 LYS 39 1HZ LYS 39 6.602 -13.985 -6.277 306 HZ3 LYS 39 2HZ LYS 39 7.824 -12.834 -6.068 307 H GLU 40 H GLU 40 2.363 -10.275 -11.019 308 HA GLU 40 HA GLU 40 3.887 -7.954 -10.869 309 HB2 GLU 40 2HB GLU 40 3.601 -7.764 -13.315 310 HB3 GLU 40 3HB GLU 40 3.990 -9.403 -12.813 311 HG2 GLU 40 2HG GLU 40 1.696 -10.091 -13.100 312 HG3 GLU 40 3HG GLU 40 1.207 -8.435 -13.452 313 H ALA 41 H ALA 41 0.411 -8.287 -11.429 314 HA ALA 41 HA ALA 41 -0.165 -5.662 -12.216 315 HB1 ALA 41 3HB ALA 41 -1.728 -7.543 -12.448 316 HB2 ALA 41 1HB ALA 41 -2.474 -6.161 -11.647 317 HB3 ALA 41 2HB ALA 41 -1.961 -7.561 -10.700 318 H LEU 42 H LEU 42 -0.064 -7.094 -8.967 319 HA LEU 42 HA LEU 42 -0.858 -4.706 -7.618 320 HB2 LEU 42 2HB LEU 42 -1.070 -7.023 -6.701 321 HB3 LEU 42 3HB LEU 42 0.671 -7.078 -6.518 322 HG LEU 42 HG LEU 42 -0.933 -4.932 -5.134 323 HD11 LEU 42 1HD1 LEU 42 -1.136 -6.359 -3.176 324 HD12 LEU 42 2HD1 LEU 42 -0.410 -7.705 -4.056 325 HD13 LEU 42 3HD1 LEU 42 -1.982 -7.071 -4.547 326 HD21 LEU 42 3HD2 LEU 42 1.678 -6.303 -4.459 327 HD22 LEU 42 1HD2 LEU 42 0.911 -5.023 -3.515 328 HD23 LEU 42 2HD2 LEU 42 1.501 -4.687 -5.142 329 H LEU 43 H LEU 43 2.305 -6.229 -8.223 330 HA LEU 43 HA LEU 43 3.870 -4.420 -6.745 331 HB2 LEU 43 2HB LEU 43 4.607 -6.110 -9.142 332 HB3 LEU 43 3HB LEU 43 5.767 -5.271 -8.125 333 HG LEU 43 HG LEU 43 3.912 -7.488 -7.220 334 HD11 LEU 43 1HD1 LEU 43 5.685 -8.306 -8.673 335 HD12 LEU 43 2HD1 LEU 43 5.955 -8.819 -7.008 336 HD13 LEU 43 3HD1 LEU 43 6.895 -7.489 -7.686 337 HD21 LEU 43 3HD2 LEU 43 5.187 -7.416 -5.124 338 HD22 LEU 43 1HD2 LEU 43 4.345 -5.896 -5.424 339 HD23 LEU 43 2HD2 LEU 43 6.081 -6.015 -5.714 340 H GLU 44 H GLU 44 3.028 -4.386 -10.222 341 HA GLU 44 HA GLU 44 4.595 -2.130 -10.891 342 HB2 GLU 44 2HB GLU 44 3.331 -2.034 -12.959 343 HB3 GLU 44 3HB GLU 44 3.703 -3.706 -12.572 344 HG2 GLU 44 2HG GLU 44 1.418 -4.010 -11.719 345 HG3 GLU 44 3HG GLU 44 1.050 -2.338 -12.135 346 H CYS 45 H CYS 45 1.262 -2.420 -9.742 347 HA CYS 45 HA CYS 45 0.650 0.368 -9.975 348 HB2 CYS 45 2HB CYS 45 -0.649 -1.823 -8.340 349 HB3 CYS 45 3HB CYS 45 -1.282 -0.186 -8.468 350 HG CYS 45 HG CYS 45 -1.160 -2.598 -10.873 351 H ALA 46 H ALA 46 1.945 -1.661 -7.395 352 HA ALA 46 HA ALA 46 1.782 0.231 -5.300 353 HB1 ALA 46 3HB ALA 46 3.695 -2.082 -5.637 354 HB2 ALA 46 1HB ALA 46 2.100 -2.151 -4.886 355 HB3 ALA 46 2HB ALA 46 3.390 -1.209 -4.134 356 H ASP 47 H ASP 47 4.359 -0.475 -7.652 357 HA ASP 47 HA ASP 47 6.349 1.174 -6.559 358 HB2 ASP 47 2HB ASP 47 6.747 -0.517 -8.329 359 HB3 ASP 47 3HB ASP 47 5.911 0.517 -9.485 360 H LEU 48 H LEU 48 3.597 1.956 -8.596 361 HA LEU 48 HA LEU 48 4.242 4.541 -9.401 362 HB2 LEU 48 2HB LEU 48 1.579 3.360 -8.608 363 HB3 LEU 48 3HB LEU 48 1.744 4.965 -9.295 364 HG LEU 48 HG LEU 48 2.562 2.401 -10.678 365 HD11 LEU 48 1HD1 LEU 48 0.625 2.789 -12.116 366 HD12 LEU 48 2HD1 LEU 48 0.167 4.184 -11.138 367 HD13 LEU 48 3HD1 LEU 48 0.137 2.565 -10.437 368 HD21 LEU 48 3HD2 LEU 48 2.449 5.251 -11.678 369 HD22 LEU 48 1HD2 LEU 48 2.815 3.828 -12.657 370 HD23 LEU 48 2HD2 LEU 48 3.911 4.314 -11.365 371 H LEU 49 H LEU 49 3.024 3.404 -6.287 372 HA LEU 49 HA LEU 49 2.616 5.996 -5.173 373 HB2 LEU 49 2HB LEU 49 2.934 3.281 -3.890 374 HB3 LEU 49 3HB LEU 49 2.646 4.741 -2.964 375 HG LEU 49 HG LEU 49 0.496 5.046 -4.214 376 HD11 LEU 49 1HD1 LEU 49 1.101 2.286 -5.266 377 HD12 LEU 49 2HD1 LEU 49 1.007 3.771 -6.214 378 HD13 LEU 49 3HD1 LEU 49 -0.436 3.136 -5.425 379 HD21 LEU 49 3HD2 LEU 49 -0.711 3.274 -3.006 380 HD22 LEU 49 1HD2 LEU 49 0.498 4.065 -1.997 381 HD23 LEU 49 2HD2 LEU 49 0.821 2.469 -2.675 382 H SER 50 H SER 50 5.292 3.639 -4.913 383 HA SER 50 HA SER 50 6.869 5.141 -3.115 384 HB2 SER 50 2HB SER 50 8.735 3.714 -3.779 385 HB3 SER 50 3HB SER 50 7.276 2.736 -3.633 386 HG SER 50 HG SER 50 8.209 2.147 -5.535 387 H SER 51 H SER 51 6.765 5.110 -6.668 388 HA SER 51 HA SER 51 8.829 7.036 -7.042 389 HB2 SER 51 2HB SER 51 8.084 5.596 -8.886 390 HB3 SER 51 3HB SER 51 6.490 6.348 -8.848 391 HG SER 51 HG SER 51 7.487 8.331 -9.425 392 H ALA 52 H ALA 52 5.270 7.346 -6.941 393 HA ALA 52 HA ALA 52 5.149 10.096 -7.497 394 HB1 ALA 52 3HB ALA 52 2.858 10.001 -6.686 395 HB2 ALA 52 1HB ALA 52 3.177 8.445 -5.917 396 HB3 ALA 52 2HB ALA 52 3.225 8.585 -7.675 397 H LEU 53 H LEU 53 5.379 8.407 -4.384 398 HA LEU 53 HA LEU 53 5.034 10.712 -2.768 399 HB2 LEU 53 2HB LEU 53 6.274 8.026 -2.189 400 HB3 LEU 53 3HB LEU 53 6.030 9.263 -0.966 401 HG LEU 53 HG LEU 53 3.769 8.090 -2.599 402 HD11 LEU 53 1HD1 LEU 53 4.700 7.303 0.162 403 HD12 LEU 53 2HD1 LEU 53 4.809 6.313 -1.295 404 HD13 LEU 53 3HD1 LEU 53 3.231 6.739 -0.635 405 HD21 LEU 53 3HD2 LEU 53 2.370 9.042 -0.835 406 HD22 LEU 53 1HD2 LEU 53 3.326 10.290 -1.635 407 HD23 LEU 53 2HD2 LEU 53 3.802 9.698 -0.042 408 H THR 54 H THR 54 7.802 9.473 -4.466 409 HA THR 54 HA THR 54 9.664 11.114 -2.902 410 HB THR 54 HB THR 54 11.458 10.119 -4.287 411 HG1 THR 54 HG1 THR 54 9.580 8.311 -5.385 412 HG21 THR 54 3HG2 THR 54 10.806 9.008 -2.209 413 HG22 THR 54 1HG2 THR 54 11.273 7.819 -3.426 414 HG23 THR 54 2HG2 THR 54 9.567 8.093 -3.071 415 H GLU 55 H GLU 55 7.658 11.580 -5.510 416 HA GLU 55 HA GLU 55 9.293 13.861 -6.447 417 HB2 GLU 55 2HB GLU 55 8.264 13.637 -8.652 418 HB3 GLU 55 3HB GLU 55 9.049 12.130 -8.202 419 HG2 GLU 55 2HG GLU 55 6.869 11.191 -7.576 420 HG3 GLU 55 3HG GLU 55 6.091 12.698 -8.054 421 HA PRO 56 HA PRO 56 5.756 16.367 -5.343 422 HB2 PRO 56 2HB PRO 56 5.598 18.265 -7.271 423 HB3 PRO 56 3HB PRO 56 6.912 18.223 -6.088 424 HG2 PRO 56 2HG PRO 56 6.888 17.257 -8.929 425 HG3 PRO 56 3HG PRO 56 8.141 18.175 -8.071 426 HD2 PRO 56 2HD PRO 56 8.274 15.479 -8.465 427 HD3 PRO 56 3HD PRO 56 9.009 16.291 -7.068 428 H VAL 57 H VAL 57 3.749 15.571 -5.409 429 HA VAL 57 HA VAL 57 2.233 15.613 -7.913 430 HB VAL 57 HB VAL 57 1.168 13.396 -7.302 431 HG11 VAL 57 1HG1 VAL 57 4.111 13.320 -7.991 432 HG12 VAL 57 2HG1 VAL 57 2.784 13.557 -9.129 433 HG13 VAL 57 3HG1 VAL 57 2.948 12.023 -8.272 434 HG21 VAL 57 3HG2 VAL 57 3.567 13.197 -5.474 435 HG22 VAL 57 1HG2 VAL 57 2.459 11.880 -5.863 436 HG23 VAL 57 2HG2 VAL 57 1.877 13.287 -4.976 437 HA PRO 58 HA PRO 58 -1.022 17.235 -5.301 438 HB2 PRO 58 2HB PRO 58 -3.255 16.165 -6.503 439 HB3 PRO 58 3HB PRO 58 -2.376 17.569 -7.114 440 HG2 PRO 58 2HG PRO 58 -2.214 14.710 -7.985 441 HG3 PRO 58 3HG PRO 58 -2.226 16.184 -8.972 442 HD2 PRO 58 2HD PRO 58 0.052 14.831 -8.440 443 HD3 PRO 58 3HD PRO 58 0.023 16.599 -8.600 444 H ASN 59 H ASN 59 -1.909 16.638 -3.381 445 HA ASN 59 HA ASN 59 -1.432 14.099 -2.306 446 HB2 ASN 59 2HB ASN 59 -3.330 16.248 -1.349 447 HB3 ASN 59 3HB ASN 59 -2.889 14.830 -0.406 448 HD21 ASN 59 1HD2 ASN 59 -0.102 14.902 -1.421 449 HD22 ASN 59 2HD2 ASN 59 0.646 16.199 -0.571 450 H SER 60 H SER 60 -4.411 15.397 -3.727 451 HA SER 60 HA SER 60 -6.162 13.309 -3.062 452 HB2 SER 60 2HB SER 60 -6.145 15.032 -5.559 453 HB3 SER 60 3HB SER 60 -7.498 14.027 -5.036 454 HG SER 60 HG SER 60 -8.037 15.514 -3.653 455 H GLN 61 H GLN 61 -3.832 13.585 -5.694 456 HA GLN 61 HA GLN 61 -4.570 11.241 -7.102 457 HB2 GLN 61 2HB GLN 61 -3.197 12.983 -8.124 458 HB3 GLN 61 3HB GLN 61 -1.926 12.712 -6.947 459 HG2 GLN 61 2HG GLN 61 -2.782 10.493 -8.772 460 HG3 GLN 61 3HG GLN 61 -1.695 11.753 -9.349 461 HE21 GLN 61 1HE2 GLN 61 -1.153 8.921 -9.031 462 HE22 GLN 61 2HE2 GLN 61 0.170 8.806 -7.927 463 H LEU 62 H LEU 62 -2.110 11.838 -4.594 464 HA LEU 62 HA LEU 62 -1.067 9.259 -4.385 465 HB2 LEU 62 2HB LEU 62 -1.441 11.391 -2.281 466 HB3 LEU 62 3HB LEU 62 -0.528 9.918 -2.007 467 HG LEU 62 HG LEU 62 0.139 11.973 -4.125 468 HD11 LEU 62 1HD1 LEU 62 2.007 12.599 -2.678 469 HD12 LEU 62 2HD1 LEU 62 1.424 11.494 -1.433 470 HD13 LEU 62 3HD1 LEU 62 0.457 12.897 -1.891 471 HD21 LEU 62 3HD2 LEU 62 2.252 10.739 -4.304 472 HD22 LEU 62 1HD2 LEU 62 0.869 9.720 -4.704 473 HD23 LEU 62 2HD2 LEU 62 1.660 9.556 -3.135 474 H VAL 63 H VAL 63 -3.764 10.674 -2.521 475 HA VAL 63 HA VAL 63 -4.336 8.410 -0.961 476 HB VAL 63 HB VAL 63 -6.258 10.571 -1.869 477 HG11 VAL 63 1HG1 VAL 63 -6.462 8.627 0.442 478 HG12 VAL 63 2HG1 VAL 63 -7.453 8.622 -1.018 479 HG13 VAL 63 3HG1 VAL 63 -7.573 9.961 0.124 480 HG21 VAL 63 3HG2 VAL 63 -5.753 11.654 0.270 481 HG22 VAL 63 1HG2 VAL 63 -4.299 11.485 -0.714 482 HG23 VAL 63 2HG2 VAL 63 -4.579 10.392 0.643 483 H ASP 64 H ASP 64 -5.668 9.412 -4.109 484 HA ASP 64 HA ASP 64 -7.558 7.282 -4.252 485 HB2 ASP 64 2HB ASP 64 -7.654 9.508 -5.480 486 HB3 ASP 64 3HB ASP 64 -6.460 8.846 -6.593 487 H THR 65 H THR 65 -4.371 7.795 -5.755 488 HA THR 65 HA THR 65 -4.188 5.348 -7.138 489 HB THR 65 HB THR 65 -1.923 7.012 -5.980 490 HG1 THR 65 HG1 THR 65 -2.748 8.337 -7.446 491 HG21 THR 65 3HG2 THR 65 -1.165 4.761 -6.577 492 HG22 THR 65 1HG2 THR 65 -0.537 5.951 -7.720 493 HG23 THR 65 2HG2 THR 65 -1.897 4.924 -8.173 494 H GLY 66 H GLY 66 -3.521 6.194 -3.784 495 HA2 GLY 66 2HA GLY 66 -2.462 3.627 -3.057 496 HA3 GLY 66 3HA GLY 66 -3.041 4.866 -1.953 497 H HIS 67 H HIS 67 -5.686 5.058 -3.083 498 HA HIS 67 HA HIS 67 -7.066 3.198 -1.537 499 HB2 HIS 67 2HB HIS 67 -8.038 5.323 -2.320 500 HB3 HIS 67 3HB HIS 67 -8.079 4.697 -3.966 501 HD1 HIS 67 HD1 HIS 67 -9.999 3.139 -4.590 502 HD2 HIS 67 HD2 HIS 67 -9.958 4.166 -0.561 503 HE1 HIS 67 HE1 HIS 67 -12.181 2.317 -3.666 504 HE2 HIS 67 HE2 HIS 67 -12.060 2.801 -1.204 505 H GLN 68 H GLN 68 -6.336 3.087 -5.024 506 HA GLN 68 HA GLN 68 -7.820 0.775 -5.626 507 HB2 GLN 68 2HB GLN 68 -6.488 0.583 -7.638 508 HB3 GLN 68 3HB GLN 68 -6.853 2.280 -7.342 509 HG2 GLN 68 2HG GLN 68 -4.611 2.590 -6.402 510 HG3 GLN 68 3HG GLN 68 -4.250 0.894 -6.715 511 HE21 GLN 68 1HE2 GLN 68 -2.922 3.263 -7.705 512 HE22 GLN 68 2HE2 GLN 68 -3.017 3.205 -9.430 513 H LEU 69 H LEU 69 -4.580 1.140 -4.271 514 HA LEU 69 HA LEU 69 -3.697 -1.510 -4.524 515 HB2 LEU 69 2HB LEU 69 -2.987 0.782 -2.767 516 HB3 LEU 69 3HB LEU 69 -2.452 -0.804 -2.252 517 HG LEU 69 HG LEU 69 -0.713 0.381 -3.520 518 HD11 LEU 69 1HD1 LEU 69 -1.819 -2.028 -4.970 519 HD12 LEU 69 2HD1 LEU 69 -0.747 -2.056 -3.570 520 HD13 LEU 69 3HD1 LEU 69 -0.173 -1.407 -5.106 521 HD21 LEU 69 3HD2 LEU 69 -2.157 1.713 -4.979 522 HD22 LEU 69 1HD2 LEU 69 -2.649 0.251 -5.835 523 HD23 LEU 69 2HD2 LEU 69 -0.974 0.797 -5.913 524 H LEU 70 H LEU 70 -5.903 -0.055 -2.212 525 HA LEU 70 HA LEU 70 -6.030 -2.220 -0.397 526 HB2 LEU 70 2HB LEU 70 -7.891 0.019 -1.106 527 HB3 LEU 70 3HB LEU 70 -8.482 -1.288 -0.098 528 HG LEU 70 HG LEU 70 -7.731 0.643 1.233 529 HD11 LEU 70 1HD1 LEU 70 -6.009 -1.812 1.574 530 HD12 LEU 70 2HD1 LEU 70 -7.635 -1.577 2.217 531 HD13 LEU 70 3HD1 LEU 70 -6.306 -0.579 2.799 532 HD21 LEU 70 3HD2 LEU 70 -5.961 1.444 -0.279 533 HD22 LEU 70 1HD2 LEU 70 -4.976 0.042 0.141 534 HD23 LEU 70 2HD2 LEU 70 -5.377 1.242 1.372 535 H ASP 71 H ASP 71 -7.714 -1.594 -3.445 536 HA ASP 71 HA ASP 71 -9.474 -3.817 -3.334 537 HB2 ASP 71 2HB ASP 71 -9.629 -1.768 -4.843 538 HB3 ASP 71 3HB ASP 71 -8.389 -2.513 -5.843 539 H TYR 72 H TYR 72 -6.396 -3.339 -5.093 540 HA TYR 72 HA TYR 72 -6.025 -5.924 -6.049 541 HB2 TYR 72 2HB TYR 72 -3.952 -3.899 -5.161 542 HB3 TYR 72 3HB TYR 72 -3.563 -5.381 -6.026 543 HD1 TYR 72 HD2 TYR 72 -4.586 -5.710 -8.350 544 HD2 TYR 72 HD1 TYR 72 -4.562 -1.953 -6.346 545 HE1 TYR 72 HE2 TYR 72 -4.951 -4.568 -10.495 546 HE2 TYR 72 HE1 TYR 72 -4.927 -0.803 -8.487 547 HH TYR 72 HH TYR 72 -4.522 -1.267 -10.925 548 H CYS 73 H CYS 73 -4.844 -4.554 -2.976 549 HA CYS 73 HA CYS 73 -3.635 -6.901 -2.002 550 HB2 CYS 73 2HB CYS 73 -4.753 -4.510 -0.525 551 HB3 CYS 73 3HB CYS 73 -3.810 -5.785 0.241 552 HG CYS 73 HG CYS 73 -2.787 -3.186 -1.584 553 H SER 74 H SER 74 -6.917 -5.622 -1.553 554 HA SER 74 HA SER 74 -7.881 -7.408 0.349 555 HB2 SER 74 2HB SER 74 -9.163 -5.458 -0.392 556 HB3 SER 74 3HB SER 74 -9.383 -6.181 -1.983 557 HG SER 74 HG SER 74 -10.297 -7.991 -0.395 558 H GLY 75 H GLY 75 -7.498 -7.851 -3.131 559 HA2 GLY 75 2HA GLY 75 -8.685 -10.514 -3.055 560 HA3 GLY 75 3HA GLY 75 -7.969 -9.725 -4.451 561 H TYR 76 H TYR 76 -5.419 -9.193 -3.675 562 HA TYR 76 HA TYR 76 -4.171 -11.643 -4.186 563 HB2 TYR 76 2HB TYR 76 -3.258 -9.380 -4.724 564 HB3 TYR 76 3HB TYR 76 -2.859 -9.179 -3.023 565 HD1 TYR 76 HD2 TYR 76 -2.177 -11.300 -6.003 566 HD2 TYR 76 HD1 TYR 76 -0.814 -10.037 -2.164 567 HE1 TYR 76 HE2 TYR 76 -0.022 -12.415 -6.404 568 HE2 TYR 76 HE1 TYR 76 1.342 -11.152 -2.562 569 HH TYR 76 HH TYR 76 2.281 -12.921 -3.931 570 H VAL 77 H VAL 77 -4.669 -9.984 -1.088 571 HA VAL 77 HA VAL 77 -2.920 -11.484 0.503 572 HB VAL 77 HB VAL 77 -4.144 -9.427 1.255 573 HG11 VAL 77 1HG1 VAL 77 -6.390 -10.026 0.480 574 HG12 VAL 77 2HG1 VAL 77 -6.388 -9.646 2.203 575 HG13 VAL 77 3HG1 VAL 77 -6.458 -11.327 1.672 576 HG21 VAL 77 3HG2 VAL 77 -4.362 -10.129 3.594 577 HG22 VAL 77 1HG2 VAL 77 -2.925 -10.832 2.849 578 HG23 VAL 77 2HG2 VAL 77 -4.366 -11.820 3.091 579 H ASP 78 H ASP 78 -6.153 -12.243 -0.655 580 HA ASP 78 HA ASP 78 -6.472 -14.563 1.023 581 HB2 ASP 78 2HB ASP 78 -8.303 -13.037 -0.026 582 HB3 ASP 78 3HB ASP 78 -8.075 -14.016 -1.472 583 H CYS 79 H CYS 79 -5.046 -13.866 -2.029 584 HA CYS 79 HA CYS 79 -5.032 -16.567 -3.033 585 HB2 CYS 79 2HB CYS 79 -4.993 -14.767 -4.636 586 HB3 CYS 79 3HB CYS 79 -3.547 -14.079 -3.904 587 HG CYS 79 HG CYS 79 -2.850 -17.157 -4.742 588 H ILE 80 H ILE 80 -3.034 -14.750 -0.879 589 HA ILE 80 HA ILE 80 -0.564 -16.076 -1.276 590 HB ILE 80 HB ILE 80 -1.601 -14.742 1.238 591 HG12 ILE 80 2HG1 ILE 80 0.124 -13.639 -1.007 592 HG13 ILE 80 3HG1 ILE 80 -1.568 -13.239 -0.733 593 HG21 ILE 80 1HG2 ILE 80 0.758 -14.542 1.882 594 HG22 ILE 80 2HG2 ILE 80 1.233 -15.437 0.438 595 HG23 ILE 80 3HG2 ILE 80 0.288 -16.233 1.697 596 HD11 ILE 80 3HD1 ILE 80 -0.082 -11.488 0.064 597 HD12 ILE 80 1HD1 ILE 80 0.706 -12.636 1.145 598 HD13 ILE 80 2HD1 ILE 80 -0.988 -12.209 1.394 599 HA PRO 81 HA PRO 81 -1.854 -19.984 0.599 600 HB2 PRO 81 2HB PRO 81 0.787 -20.993 -0.140 601 HB3 PRO 81 3HB PRO 81 -0.796 -21.446 -0.777 602 HG2 PRO 81 2HG PRO 81 1.041 -20.077 -2.237 603 HG3 PRO 81 3HG PRO 81 -0.708 -19.892 -2.467 604 HD2 PRO 81 2HD PRO 81 1.198 -18.122 -0.957 605 HD3 PRO 81 3HD PRO 81 -0.116 -17.674 -2.068 606 H GLN 82 H GLN 82 0.933 -18.083 1.419 607 HA GLN 82 HA GLN 82 1.521 -19.746 3.776 608 HB2 GLN 82 2HB GLN 82 3.084 -17.435 2.592 609 HB3 GLN 82 3HB GLN 82 3.592 -18.419 3.960 610 HG2 GLN 82 2HG GLN 82 3.631 -20.396 2.483 611 HG3 GLN 82 3HG GLN 82 3.198 -19.361 1.122 612 HE21 GLN 82 1HE2 GLN 82 4.740 -17.896 0.323 613 HE22 GLN 82 2HE2 GLN 82 6.416 -18.051 0.705 614 H THR 83 H THR 83 0.483 -19.199 5.594 615 HA THR 83 HA THR 83 -0.900 -16.792 6.023 616 HB THR 83 HB THR 83 0.058 -18.774 8.107 617 HG1 THR 83 HG1 THR 83 -1.977 -19.713 7.795 618 HG21 THR 83 3HG2 THR 83 -2.109 -16.659 8.244 619 HG22 THR 83 1HG2 THR 83 -0.588 -16.656 9.140 620 HG23 THR 83 2HG2 THR 83 -1.805 -17.888 9.472 621 H ARG 84 H ARG 84 2.383 -17.738 6.922 622 HA ARG 84 HA ARG 84 3.081 -15.638 8.613 623 HB2 ARG 84 2HB ARG 84 4.734 -17.052 6.507 624 HB3 ARG 84 3HB ARG 84 5.413 -15.957 7.703 625 HG2 ARG 84 2HG ARG 84 3.882 -18.464 8.380 626 HG3 ARG 84 3HG ARG 84 5.640 -18.369 8.269 627 HD2 ARG 84 2HD ARG 84 3.902 -16.775 10.159 628 HD3 ARG 84 3HD ARG 84 4.871 -18.185 10.591 629 HE ARG 84 HE ARG 84 6.470 -16.178 9.384 630 HH11 ARG 84 1HH1 ARG 84 4.908 -16.979 12.339 631 HH12 ARG 84 2HH1 ARG 84 6.025 -16.078 13.303 632 HH21 ARG 84 1HH2 ARG 84 7.901 -15.028 10.619 633 HH22 ARG 84 2HH2 ARG 84 7.703 -14.978 12.337 634 H ASN 85 H ASN 85 3.414 -15.739 5.061 635 HA ASN 85 HA ASN 85 4.080 -12.996 4.751 636 HB2 ASN 85 2HB ASN 85 2.845 -14.918 2.756 637 HB3 ASN 85 3HB ASN 85 3.560 -13.359 2.359 638 HD21 ASN 85 1HD2 ASN 85 5.038 -14.356 0.988 639 HD22 ASN 85 2HD2 ASN 85 6.393 -15.235 1.591 640 H LYS 86 H LYS 86 1.036 -14.762 4.748 641 HA LYS 86 HA LYS 86 -0.614 -12.783 3.633 642 HB2 LYS 86 2HB LYS 86 -1.199 -15.178 3.855 643 HB3 LYS 86 3HB LYS 86 -1.357 -14.964 5.591 644 HG2 LYS 86 2HG LYS 86 -3.231 -13.463 5.275 645 HG3 LYS 86 3HG LYS 86 -3.038 -13.546 3.523 646 HD2 LYS 86 2HD LYS 86 -4.846 -15.011 4.225 647 HD3 LYS 86 3HD LYS 86 -3.502 -15.972 3.607 648 HE2 LYS 86 2HE LYS 86 -2.759 -16.323 5.969 649 HE3 LYS 86 3HE LYS 86 -4.221 -15.495 6.501 650 HZ1 LYS 86 3HZ LYS 86 -4.621 -17.820 6.575 651 HZ2 LYS 86 1HZ LYS 86 -4.055 -18.045 4.996 652 HZ3 LYS 86 2HZ LYS 86 -5.496 -17.208 5.264 653 H PHE 87 H PHE 87 0.083 -13.513 7.065 654 HA PHE 87 HA PHE 87 -1.610 -11.445 8.068 655 HB2 PHE 87 2HB PHE 87 -0.840 -13.478 9.372 656 HB3 PHE 87 3HB PHE 87 0.733 -12.698 9.523 657 HD1 PHE 87 HD2 PHE 87 -2.802 -12.563 10.519 658 HD2 PHE 87 HD1 PHE 87 1.052 -10.824 11.023 659 HE1 PHE 87 HE2 PHE 87 -3.613 -11.347 12.499 660 HE2 PHE 87 HE1 PHE 87 0.247 -9.607 13.002 661 HZ PHE 87 HZ PHE 87 -2.088 -9.867 13.743 662 H ALA 88 H ALA 88 1.882 -11.661 7.428 663 HA ALA 88 HA ALA 88 2.610 -9.082 8.273 664 HB1 ALA 88 3HB ALA 88 3.804 -10.669 5.996 665 HB2 ALA 88 1HB ALA 88 4.235 -10.843 7.698 666 HB3 ALA 88 2HB ALA 88 4.570 -9.332 6.855 667 H PHE 89 H PHE 89 1.238 -10.242 5.260 668 HA PHE 89 HA PHE 89 1.319 -7.774 3.844 669 HB2 PHE 89 2HB PHE 89 1.048 -10.109 2.866 670 HB3 PHE 89 3HB PHE 89 -0.620 -10.062 3.418 671 HD1 PHE 89 HD2 PHE 89 1.813 -8.655 1.050 672 HD2 PHE 89 HD1 PHE 89 -2.266 -8.723 2.277 673 HE1 PHE 89 HE2 PHE 89 1.163 -7.544 -1.047 674 HE2 PHE 89 HE1 PHE 89 -2.916 -7.616 0.182 675 HZ PHE 89 HZ PHE 89 -1.205 -7.026 -1.482 676 H ARG 90 H ARG 90 -1.152 -9.409 5.814 677 HA ARG 90 HA ARG 90 -3.251 -7.595 5.544 678 HB2 ARG 90 2HB ARG 90 -2.445 -9.607 7.572 679 HB3 ARG 90 3HB ARG 90 -3.612 -8.404 8.096 680 HG2 ARG 90 2HG ARG 90 -4.031 -9.991 5.582 681 HG3 ARG 90 3HG ARG 90 -4.481 -10.629 7.164 682 HD2 ARG 90 2HD ARG 90 -6.434 -9.637 6.265 683 HD3 ARG 90 3HD ARG 90 -5.844 -8.531 7.502 684 HE ARG 90 HE ARG 90 -5.340 -8.085 4.629 685 HH11 ARG 90 1HH1 ARG 90 -6.297 -6.915 7.729 686 HH12 ARG 90 2HH1 ARG 90 -6.687 -5.339 7.133 687 HH21 ARG 90 1HH2 ARG 90 -5.860 -6.069 3.882 688 HH22 ARG 90 2HH2 ARG 90 -6.441 -4.867 4.981 689 H GLU 91 H GLU 91 -0.725 -7.628 8.093 690 HA GLU 91 HA GLU 91 -1.592 -5.238 9.317 691 HB2 GLU 91 2HB GLU 91 0.543 -5.225 10.486 692 HB3 GLU 91 3HB GLU 91 -0.123 -6.851 10.449 693 HG2 GLU 91 2HG GLU 91 1.408 -7.465 8.665 694 HG3 GLU 91 3HG GLU 91 2.045 -5.822 8.625 695 H ALA 92 H ALA 92 0.821 -5.823 6.772 696 HA ALA 92 HA ALA 92 1.796 -3.217 6.491 697 HB1 ALA 92 3HB ALA 92 2.446 -3.881 4.220 698 HB2 ALA 92 1HB ALA 92 1.417 -5.309 4.343 699 HB3 ALA 92 2HB ALA 92 2.822 -5.140 5.397 700 H VAL 93 H VAL 93 -0.985 -4.766 4.884 701 HA VAL 93 HA VAL 93 -1.847 -2.476 3.449 702 HB VAL 93 HB VAL 93 -3.422 -4.893 4.386 703 HG11 VAL 93 1HG1 VAL 93 -5.085 -4.267 2.683 704 HG12 VAL 93 2HG1 VAL 93 -4.195 -2.778 2.366 705 HG13 VAL 93 3HG1 VAL 93 -4.947 -3.038 3.940 706 HG21 VAL 93 3HG2 VAL 93 -2.200 -4.239 1.700 707 HG22 VAL 93 1HG2 VAL 93 -3.139 -5.681 2.091 708 HG23 VAL 93 2HG2 VAL 93 -1.574 -5.412 2.861 709 H SER 94 H SER 94 -2.635 -3.723 6.669 710 HA SER 94 HA SER 94 -4.666 -1.883 7.338 711 HB2 SER 94 2HB SER 94 -2.694 -3.304 9.157 712 HB3 SER 94 3HB SER 94 -4.129 -2.439 9.708 713 HG SER 94 HG SER 94 -4.078 -4.711 7.994 714 H LYS 95 H LYS 95 -1.168 -1.658 7.442 715 HA LYS 95 HA LYS 95 -1.010 0.867 8.758 716 HB2 LYS 95 2HB LYS 95 0.892 -0.541 6.864 717 HB3 LYS 95 3HB LYS 95 1.288 0.934 7.734 718 HG2 LYS 95 2HG LYS 95 1.245 -0.160 9.824 719 HG3 LYS 95 3HG LYS 95 0.444 -1.581 9.151 720 HD2 LYS 95 2HD LYS 95 2.824 -1.997 9.591 721 HD3 LYS 95 3HD LYS 95 2.437 -2.141 7.877 722 HE2 LYS 95 2HE LYS 95 4.540 -0.948 8.203 723 HE3 LYS 95 3HE LYS 95 3.326 0.111 7.486 724 HZ1 LYS 95 3HZ LYS 95 3.973 0.046 10.384 725 HZ2 LYS 95 1HZ LYS 95 2.968 1.151 9.592 726 HZ3 LYS 95 2HZ LYS 95 4.625 1.155 9.287 727 H LEU 96 H LEU 96 -1.071 -0.117 5.347 728 HA LEU 96 HA LEU 96 -0.631 2.374 4.159 729 HB2 LEU 96 2HB LEU 96 -0.511 0.240 2.954 730 HB3 LEU 96 3HB LEU 96 -2.244 0.036 3.124 731 HG LEU 96 HG LEU 96 -2.572 2.096 1.741 732 HD11 LEU 96 1HD1 LEU 96 0.403 1.868 1.286 733 HD12 LEU 96 2HD1 LEU 96 -0.422 3.166 2.147 734 HD13 LEU 96 3HD1 LEU 96 -0.697 2.943 0.420 735 HD21 LEU 96 3HD2 LEU 96 -0.991 -0.111 0.414 736 HD22 LEU 96 1HD2 LEU 96 -2.075 1.024 -0.390 737 HD23 LEU 96 2HD2 LEU 96 -2.721 -0.146 0.759 738 H GLU 97 H GLU 97 -3.767 0.761 4.834 739 HA GLU 97 HA GLU 97 -5.379 2.811 3.767 740 HB2 GLU 97 2HB GLU 97 -7.229 1.768 5.036 741 HB3 GLU 97 3HB GLU 97 -6.275 0.601 4.134 742 HG2 GLU 97 2HG GLU 97 -5.064 0.045 6.231 743 HG3 GLU 97 3HG GLU 97 -6.155 1.122 7.100 744 H LEU 98 H LEU 98 -4.296 2.268 7.122 745 HA LEU 98 HA LEU 98 -5.630 4.453 8.279 746 HB2 LEU 98 2HB LEU 98 -3.288 2.776 9.039 747 HB3 LEU 98 3HB LEU 98 -3.492 4.299 9.883 748 HG LEU 98 HG LEU 98 -4.485 2.415 11.116 749 HD11 LEU 98 1HD1 LEU 98 -6.648 3.440 11.578 750 HD12 LEU 98 2HD1 LEU 98 -6.549 4.363 10.077 751 HD13 LEU 98 3HD1 LEU 98 -5.404 4.673 11.380 752 HD21 LEU 98 3HD2 LEU 98 -6.518 1.325 10.282 753 HD22 LEU 98 1HD2 LEU 98 -5.132 0.998 9.243 754 HD23 LEU 98 2HD2 LEU 98 -6.347 2.176 8.747 755 H SER 99 H SER 99 -2.288 4.269 7.011 756 HA SER 99 HA SER 99 -1.675 6.983 7.445 757 HB2 SER 99 2HB SER 99 0.123 6.612 5.691 758 HB3 SER 99 3HB SER 99 0.144 5.497 7.054 759 HG SER 99 HG SER 99 -1.308 4.767 4.774 760 H LEU 100 H LEU 100 -3.466 5.429 4.868 761 HA LEU 100 HA LEU 100 -3.498 7.669 3.087 762 HB2 LEU 100 2HB LEU 100 -5.205 5.202 3.359 763 HB3 LEU 100 3HB LEU 100 -5.621 6.462 2.211 764 HG LEU 100 HG LEU 100 -2.965 5.008 2.207 765 HD11 LEU 100 1HD1 LEU 100 -4.804 3.448 1.755 766 HD12 LEU 100 2HD1 LEU 100 -3.819 3.733 0.321 767 HD13 LEU 100 3HD1 LEU 100 -5.393 4.515 0.479 768 HD21 LEU 100 3HD2 LEU 100 -2.750 5.956 -0.035 769 HD22 LEU 100 1HD2 LEU 100 -2.930 7.230 1.172 770 HD23 LEU 100 2HD2 LEU 100 -4.298 6.780 0.151 771 H GLN 101 H GLN 101 -5.777 6.528 5.594 772 HA GLN 101 HA GLN 101 -7.684 8.589 5.026 773 HB2 GLN 101 2HB GLN 101 -8.899 7.758 6.998 774 HB3 GLN 101 3HB GLN 101 -8.450 6.467 5.895 775 HG2 GLN 101 2HG GLN 101 -6.500 5.985 7.396 776 HG3 GLN 101 3HG GLN 101 -7.185 7.137 8.540 777 HE21 GLN 101 1HE2 GLN 101 -9.103 6.601 9.621 778 HE22 GLN 101 2HE2 GLN 101 -9.712 4.989 9.659 779 H GLU 102 H GLU 102 -5.047 8.295 7.383 780 HA GLU 102 HA GLU 102 -5.793 10.671 8.811 781 HB2 GLU 102 2HB GLU 102 -3.612 10.541 9.879 782 HB3 GLU 102 3HB GLU 102 -4.361 8.951 9.845 783 HG2 GLU 102 2HG GLU 102 -2.954 8.299 7.977 784 HG3 GLU 102 3HG GLU 102 -2.238 9.907 7.930 785 H LEU 103 H LEU 103 -3.876 10.020 5.951 786 HA LEU 103 HA LEU 103 -2.576 12.533 5.770 787 HB2 LEU 103 2HB LEU 103 -1.800 10.607 4.500 788 HB3 LEU 103 3HB LEU 103 -3.307 10.556 3.601 789 HG LEU 103 HG LEU 103 -2.755 12.807 2.654 790 HD11 LEU 103 1HD1 LEU 103 -0.089 12.350 3.992 791 HD12 LEU 103 2HD1 LEU 103 -1.264 13.601 4.401 792 HD13 LEU 103 3HD1 LEU 103 -0.455 13.629 2.834 793 HD21 LEU 103 3HD2 LEU 103 -1.108 11.991 1.060 794 HD22 LEU 103 1HD2 LEU 103 -2.305 10.744 1.408 795 HD23 LEU 103 2HD2 LEU 103 -0.701 10.656 2.136 796 H GLN 104 H GLN 104 -5.497 11.313 4.093 797 HA GLN 104 HA GLN 104 -6.013 13.552 2.545 798 HB2 GLN 104 2HB GLN 104 -8.372 12.736 2.448 799 HB3 GLN 104 3HB GLN 104 -7.165 11.501 2.112 800 HG2 GLN 104 2HG GLN 104 -7.407 10.658 4.408 801 HG3 GLN 104 3HG GLN 104 -8.648 11.873 4.712 802 HE21 GLN 104 1HE2 GLN 104 -7.870 8.942 3.001 803 HE22 GLN 104 2HE2 GLN 104 -9.493 8.521 2.583 804 H VAL 105 H VAL 105 -6.943 12.998 5.917 805 HA VAL 105 HA VAL 105 -8.498 15.440 6.034 806 HB VAL 105 HB VAL 105 -8.767 14.958 8.425 807 HG11 VAL 105 1HG1 VAL 105 -10.287 13.907 6.830 808 HG12 VAL 105 2HG1 VAL 105 -9.999 12.845 8.208 809 HG13 VAL 105 3HG1 VAL 105 -9.192 12.532 6.670 810 HG21 VAL 105 3HG2 VAL 105 -6.927 12.611 7.919 811 HG22 VAL 105 1HG2 VAL 105 -7.824 12.913 9.408 812 HG23 VAL 105 2HG2 VAL 105 -6.558 14.030 8.900 813 H SER 106 H SER 106 -5.187 14.586 6.488 814 HA SER 106 HA SER 106 -4.640 17.119 7.926 815 HB2 SER 106 2HB SER 106 -2.890 14.648 7.748 816 HB3 SER 106 3HB SER 106 -2.550 16.093 8.698 817 HG SER 106 HG SER 106 -4.394 14.033 9.151 818 H SER 107 H SER 107 -4.822 16.362 4.885 819 HA SER 107 HA SER 107 -2.244 16.636 3.767 820 HB2 SER 107 2HB SER 107 -3.424 17.124 1.637 821 HB3 SER 107 3HB SER 107 -4.102 15.723 2.470 822 HG SER 107 HG SER 107 -5.548 17.517 1.582 823 H ALA 108 H ALA 108 -4.823 19.081 3.526 824 HA ALA 108 HA ALA 108 -4.847 21.343 3.718 825 HB1 ALA 108 3HB ALA 108 -3.123 22.531 4.931 826 HB2 ALA 108 1HB ALA 108 -2.050 21.136 4.824 827 HB3 ALA 108 2HB ALA 108 -3.530 21.036 5.777 828 H ALA 109 H ALA 109 -1.749 20.149 2.414 829 HA ALA 109 HA ALA 109 -1.429 22.426 0.664 830 HB1 ALA 109 3HB ALA 109 0.589 21.281 -0.098 831 HB2 ALA 109 1HB ALA 109 0.123 19.838 0.803 832 HB3 ALA 109 2HB ALA 109 0.517 21.328 1.664 833 H ALA 110 H ALA 110 -0.962 22.015 -1.711 834 HA ALA 110 HA ALA 110 -3.100 20.408 -2.882 835 HB1 ALA 110 3HB ALA 110 -1.149 22.299 -4.204 836 HB2 ALA 110 1HB ALA 110 -2.771 22.719 -3.655 837 HB3 ALA 110 2HB ALA 110 -2.557 21.559 -4.965 838 H GLY 111 H GLY 111 0.395 20.859 -3.551 839 HA2 GLY 111 2HA GLY 111 0.760 17.985 -3.799 840 HA3 GLY 111 3HA GLY 111 0.929 18.883 -5.297 841 H VAL 112 H VAL 112 1.989 19.657 -1.980 842 HA VAL 112 HA VAL 112 4.630 20.349 -2.962 843 HB VAL 112 HB VAL 112 3.550 20.400 -0.131 844 HG11 VAL 112 1HG1 VAL 112 5.991 20.278 -0.182 845 HG12 VAL 112 2HG1 VAL 112 5.453 21.865 0.366 846 HG13 VAL 112 3HG1 VAL 112 6.051 21.655 -1.281 847 HG21 VAL 112 3HG2 VAL 112 3.283 22.806 -0.454 848 HG22 VAL 112 1HG2 VAL 112 2.319 21.906 -1.625 849 HG23 VAL 112 2HG2 VAL 112 3.835 22.658 -2.123 850 HA PRO 113 HA PRO 113 6.157 16.186 -2.366 851 HB2 PRO 113 2HB PRO 113 8.834 16.778 -2.591 852 HB3 PRO 113 3HB PRO 113 7.742 16.582 -3.965 853 HG2 PRO 113 2HG PRO 113 8.666 19.104 -2.629 854 HG3 PRO 113 3HG PRO 113 8.511 18.746 -4.361 855 HD2 PRO 113 2HD PRO 113 6.656 20.190 -3.063 856 HD3 PRO 113 3HD PRO 113 6.201 19.044 -4.342 857 H GLY 114 H GLY 114 6.258 15.191 -0.451 858 HA2 GLY 114 2HA GLY 114 6.811 14.668 1.719 859 HA3 GLY 114 3HA GLY 114 8.288 15.579 1.452 860 H THR 115 H THR 115 5.152 17.130 1.192 861 HA THR 115 HA THR 115 5.810 19.146 3.046 862 HB THR 115 HB THR 115 4.164 19.574 1.321 863 HG1 THR 115 HG1 THR 115 2.662 19.746 3.712 864 HG21 THR 115 3HG2 THR 115 3.093 17.364 1.233 865 HG22 THR 115 1HG2 THR 115 1.899 18.645 1.425 866 HG23 THR 115 2HG2 THR 115 2.356 17.654 2.810 867 H ASN 116 H ASN 116 4.142 16.100 3.496 868 HA ASN 116 HA ASN 116 3.852 16.707 6.372 869 HB2 ASN 116 2HB ASN 116 1.914 15.137 4.648 870 HB3 ASN 116 3HB ASN 116 1.774 15.363 6.389 871 HD21 ASN 116 1HD2 ASN 116 -0.074 16.127 4.278 872 HD22 ASN 116 2HD2 ASN 116 -0.297 17.831 4.435 873 HA PRO 117 HA PRO 117 6.424 13.096 7.029 874 HB2 PRO 117 2HB PRO 117 4.725 12.776 9.468 875 HB3 PRO 117 3HB PRO 117 6.487 12.816 9.319 876 HG2 PRO 117 2HG PRO 117 5.165 14.928 10.265 877 HG3 PRO 117 3HG PRO 117 6.556 15.137 9.184 878 HD2 PRO 117 2HD PRO 117 3.635 15.400 8.591 879 HD3 PRO 117 3HD PRO 117 5.004 16.345 7.968 880 H VAL 118 H VAL 118 2.917 12.953 7.246 881 HA VAL 118 HA VAL 118 2.504 10.202 7.385 882 HB VAL 118 HB VAL 118 0.787 12.165 5.847 883 HG11 VAL 118 1HG1 VAL 118 0.176 9.868 5.405 884 HG12 VAL 118 2HG1 VAL 118 -1.044 10.612 6.437 885 HG13 VAL 118 3HG1 VAL 118 0.142 9.507 7.132 886 HG21 VAL 118 3HG2 VAL 118 0.704 11.450 8.785 887 HG22 VAL 118 1HG2 VAL 118 -0.460 12.470 7.939 888 HG23 VAL 118 2HG2 VAL 118 1.215 12.996 8.104 889 H LEU 119 H LEU 119 3.441 12.173 4.637 890 HA LEU 119 HA LEU 119 2.902 10.335 2.563 891 HB2 LEU 119 2HB LEU 119 5.089 12.420 2.741 892 HB3 LEU 119 3HB LEU 119 4.583 11.604 1.271 893 HG LEU 119 HG LEU 119 2.873 13.476 2.929 894 HD11 LEU 119 1HD1 LEU 119 4.640 14.641 1.710 895 HD12 LEU 119 2HD1 LEU 119 3.056 14.993 1.021 896 HD13 LEU 119 3HD1 LEU 119 4.137 13.859 0.211 897 HD21 LEU 119 3HD2 LEU 119 1.529 11.730 1.884 898 HD22 LEU 119 1HD2 LEU 119 2.271 12.073 0.319 899 HD23 LEU 119 2HD2 LEU 119 1.250 13.282 1.097 900 H ASN 120 H ASN 120 5.654 10.705 4.740 901 HA ASN 120 HA ASN 120 7.265 8.669 3.549 902 HB2 ASN 120 2HB ASN 120 8.180 10.453 5.021 903 HB3 ASN 120 3HB ASN 120 7.328 9.741 6.387 904 HD21 ASN 120 1HD2 ASN 120 9.179 9.312 7.535 905 HD22 ASN 120 2HD2 ASN 120 10.313 8.095 7.076 906 H ASN 121 H ASN 121 4.792 8.719 6.081 907 HA ASN 121 HA ASN 121 5.034 6.056 6.961 908 HB2 ASN 121 2HB ASN 121 2.581 7.834 6.801 909 HB3 ASN 121 3HB ASN 121 2.621 6.280 7.632 910 HD21 ASN 121 1HD2 ASN 121 2.118 8.940 8.710 911 HD22 ASN 121 2HD2 ASN 121 3.312 9.195 9.929 912 H LEU 122 H LEU 122 2.961 7.428 4.379 913 HA LEU 122 HA LEU 122 1.938 5.040 3.354 914 HB2 LEU 122 2HB LEU 122 2.619 7.662 2.040 915 HB3 LEU 122 3HB LEU 122 1.980 6.324 1.104 916 HG LEU 122 HG LEU 122 0.574 7.684 3.415 917 HD11 LEU 122 1HD1 LEU 122 0.016 7.750 0.446 918 HD12 LEU 122 2HD1 LEU 122 0.685 9.074 1.403 919 HD13 LEU 122 3HD1 LEU 122 -0.959 8.510 1.705 920 HD21 LEU 122 3HD2 LEU 122 0.026 5.303 3.269 921 HD22 LEU 122 1HD2 LEU 122 -0.369 5.493 1.560 922 HD23 LEU 122 2HD2 LEU 122 -1.341 6.305 2.788 923 H LEU 123 H LEU 123 4.922 6.753 2.406 924 HA LEU 123 HA LEU 123 5.877 4.992 0.490 925 HB2 LEU 123 2HB LEU 123 6.876 7.181 1.011 926 HB3 LEU 123 3HB LEU 123 7.468 6.550 2.536 927 HG LEU 123 HG LEU 123 8.920 4.965 1.294 928 HD11 LEU 123 1HD1 LEU 123 9.258 5.254 -1.105 929 HD12 LEU 123 2HD1 LEU 123 7.972 6.460 -1.153 930 HD13 LEU 123 3HD1 LEU 123 7.594 4.784 -0.754 931 HD21 LEU 123 3HD2 LEU 123 9.775 7.144 2.050 932 HD22 LEU 123 1HD2 LEU 123 9.306 7.858 0.506 933 HD23 LEU 123 2HD2 LEU 123 10.553 6.611 0.560 934 H SER 124 H SER 124 6.483 4.928 3.998 935 HA SER 124 HA SER 124 8.061 2.598 4.046 936 HB2 SER 124 2HB SER 124 7.928 4.211 5.923 937 HB3 SER 124 3HB SER 124 6.282 3.674 6.256 938 HG SER 124 HG SER 124 8.715 2.269 6.549 939 H CYS 125 H CYS 125 4.548 3.032 4.314 940 HA CYS 125 HA CYS 125 3.863 0.349 4.854 941 HB2 CYS 125 2HB CYS 125 2.287 2.485 3.389 942 HB3 CYS 125 3HB CYS 125 1.618 0.953 3.944 943 HG CYS 125 HG CYS 125 0.922 3.256 5.576 944 H VAL 126 H VAL 126 4.072 2.091 1.752 945 HA VAL 126 HA VAL 126 3.366 -0.056 0.073 946 HB VAL 126 HB VAL 126 5.124 2.329 -0.568 947 HG11 VAL 126 1HG1 VAL 126 4.480 1.916 -2.913 948 HG12 VAL 126 2HG1 VAL 126 3.641 0.445 -2.417 949 HG13 VAL 126 3HG1 VAL 126 5.392 0.565 -2.238 950 HG21 VAL 126 3HG2 VAL 126 2.150 1.926 -0.938 951 HG22 VAL 126 1HG2 VAL 126 3.073 3.345 -1.434 952 HG23 VAL 126 2HG2 VAL 126 2.906 2.954 0.279 953 H GLN 127 H GLN 127 6.594 1.128 1.038 954 HA GLN 127 HA GLN 127 8.142 -0.721 -0.376 955 HB2 GLN 127 2HB GLN 127 8.707 0.578 2.303 956 HB3 GLN 127 3HB GLN 127 9.902 -0.276 1.333 957 HG2 GLN 127 2HG GLN 127 9.684 1.357 -0.444 958 HG3 GLN 127 3HG GLN 127 8.405 2.188 0.440 959 HE21 GLN 127 1HE2 GLN 127 10.939 3.228 -0.495 960 HE22 GLN 127 2HE2 GLN 127 11.781 3.804 0.896 961 H GLU 128 H GLU 128 6.597 -0.991 2.799 962 HA GLU 128 HA GLU 128 7.648 -3.526 3.496 963 HB2 GLU 128 2HB GLU 128 6.527 -1.911 5.065 964 HB3 GLU 128 3HB GLU 128 4.986 -2.345 4.339 965 HG2 GLU 128 2HG GLU 128 5.261 -3.539 6.406 966 HG3 GLU 128 3HG GLU 128 5.333 -4.681 5.066 967 H ILE 129 H ILE 129 4.466 -2.642 2.091 968 HA ILE 129 HA ILE 129 3.395 -5.186 1.811 969 HB ILE 129 HB ILE 129 3.000 -2.784 0.008 970 HG12 ILE 129 2HG1 ILE 129 1.370 -3.817 2.351 971 HG13 ILE 129 3HG1 ILE 129 2.413 -2.400 2.373 972 HG21 ILE 129 1HG2 ILE 129 0.903 -3.845 -0.701 973 HG22 ILE 129 2HG2 ILE 129 1.310 -5.282 0.237 974 HG23 ILE 129 3HG2 ILE 129 2.303 -4.821 -1.146 975 HD11 ILE 129 3HD1 ILE 129 -0.065 -2.737 0.696 976 HD12 ILE 129 1HD1 ILE 129 0.973 -1.312 0.734 977 HD13 ILE 129 2HD1 ILE 129 0.074 -1.786 2.174 978 H SER 130 H SER 130 5.119 -3.352 -0.735 979 HA SER 130 HA SER 130 5.149 -5.382 -2.667 980 HB2 SER 130 2HB SER 130 7.063 -4.108 -3.678 981 HB3 SER 130 3HB SER 130 5.668 -3.104 -3.290 982 HG SER 130 HG SER 130 6.738 -2.229 -1.602 983 H ASP 131 H ASP 131 7.345 -4.750 0.009 984 HA ASP 131 HA ASP 131 9.302 -6.695 -0.732 985 HB2 ASP 131 2HB ASP 131 9.852 -4.792 0.707 986 HB3 ASP 131 3HB ASP 131 8.740 -5.377 1.940 987 H VAL 132 H VAL 132 6.389 -6.779 1.283 988 HA VAL 132 HA VAL 132 6.815 -9.329 2.439 989 HB VAL 132 HB VAL 132 4.203 -7.896 1.881 990 HG11 VAL 132 1HG1 VAL 132 4.741 -10.339 3.588 991 HG12 VAL 132 2HG1 VAL 132 3.775 -10.281 2.112 992 HG13 VAL 132 3HG1 VAL 132 3.224 -9.437 3.558 993 HG21 VAL 132 3HG2 VAL 132 5.837 -8.140 4.415 994 HG22 VAL 132 1HG2 VAL 132 4.271 -7.343 4.279 995 HG23 VAL 132 2HG2 VAL 132 5.670 -6.691 3.428 996 H VAL 133 H VAL 133 5.418 -8.319 -0.629 997 HA VAL 133 HA VAL 133 4.450 -10.847 -1.471 998 HB VAL 133 HB VAL 133 5.459 -8.584 -3.220 999 HG11 VAL 133 1HG1 VAL 133 5.121 -10.656 -4.458 1000 HG12 VAL 133 2HG1 VAL 133 3.891 -9.470 -4.891 1001 HG13 VAL 133 3HG1 VAL 133 3.487 -10.801 -3.806 1002 HG21 VAL 133 3HG2 VAL 133 3.115 -7.809 -3.268 1003 HG22 VAL 133 1HG2 VAL 133 3.813 -7.732 -1.651 1004 HG23 VAL 133 2HG2 VAL 133 2.701 -9.035 -2.067 1005 H GLN 134 H GLN 134 7.624 -9.761 -0.994 1006 HA GLN 134 HA GLN 134 8.782 -11.627 -2.958 1007 HB2 GLN 134 2HB GLN 134 10.154 -9.456 -1.352 1008 HB3 GLN 134 3HB GLN 134 10.866 -10.404 -2.652 1009 HG2 GLN 134 2HG GLN 134 9.362 -9.395 -4.259 1010 HG3 GLN 134 3HG GLN 134 8.540 -8.512 -2.973 1011 HE21 GLN 134 1HE2 GLN 134 8.993 -6.509 -3.821 1012 HE22 GLN 134 2HE2 GLN 134 10.584 -5.839 -3.871 1013 H ARG 135 H ARG 135 7.767 -11.892 0.102 1014 HA ARG 135 HA ARG 135 10.077 -12.917 1.456 1015 HB2 ARG 135 2HB ARG 135 7.165 -13.397 2.129 1016 HB3 ARG 135 3HB ARG 135 8.538 -13.626 3.203 1017 HG2 ARG 135 2HG ARG 135 7.675 -10.983 2.043 1018 HG3 ARG 135 3HG ARG 135 7.268 -11.560 3.656 1019 HD2 ARG 135 2HD ARG 135 9.568 -11.506 4.328 1020 HD3 ARG 135 3HD ARG 135 10.099 -11.194 2.675 1021 HE ARG 135 HE ARG 135 9.366 -8.983 2.861 1022 HH11 ARG 135 1HH1 ARG 135 8.959 -10.697 5.824 1023 HH12 ARG 135 2HH1 ARG 135 8.519 -9.273 6.703 1024 HH21 ARG 135 1HH2 ARG 135 8.816 -7.188 4.000 1025 HH22 ARG 135 2HH2 ARG 135 8.419 -7.311 5.677 Start of MODEL 13 1 H1 MET 1 1H MET 1 -55.997 -9.527 37.025 2 H2 MET 1 2H MET 1 -54.768 -9.273 38.161 3 H3 MET 1 3H MET 1 -56.011 -10.363 38.499 4 HA MET 1 HA MET 1 -53.989 -11.533 37.906 5 HB2 MET 1 2HB MET 1 -56.134 -11.720 35.771 6 HB3 MET 1 3HB MET 1 -54.941 -12.959 36.134 7 HG2 MET 1 2HG MET 1 -55.895 -13.224 38.373 8 HG3 MET 1 3HG MET 1 -57.094 -11.985 38.005 9 HE1 MET 1 3HE MET 1 -57.901 -14.829 39.103 10 HE2 MET 1 1HE MET 1 -59.242 -15.267 38.044 11 HE3 MET 1 2HE MET 1 -59.104 -13.619 38.655 12 H GLY 2 H GLY 2 -53.743 -8.700 36.774 13 HA2 GLY 2 2HA GLY 2 -52.801 -9.062 34.065 14 HA3 GLY 2 3HA GLY 2 -52.740 -7.583 35.007 15 H HIS 3 H HIS 3 -51.213 -10.810 34.860 16 HA HIS 3 HA HIS 3 -48.606 -9.484 35.317 17 HB2 HIS 3 2HB HIS 3 -49.498 -12.152 36.438 18 HB3 HIS 3 3HB HIS 3 -47.867 -11.506 36.557 19 HD1 HIS 3 HD1 HIS 3 -47.700 -9.163 37.933 20 HD2 HIS 3 HD2 HIS 3 -51.142 -11.426 38.487 21 HE1 HIS 3 HE1 HIS 3 -48.715 -8.331 40.071 22 HE2 HIS 3 HE2 HIS 3 -50.846 -9.637 40.333 23 H HIS 4 H HIS 4 -50.282 -10.845 32.966 24 HA HIS 4 HA HIS 4 -48.061 -11.747 31.454 25 HB2 HIS 4 2HB HIS 4 -48.656 -14.137 31.223 26 HB3 HIS 4 3HB HIS 4 -48.194 -13.732 32.874 27 HD1 HIS 4 HD1 HIS 4 -50.957 -15.130 30.878 28 HD2 HIS 4 HD2 HIS 4 -50.412 -13.618 34.708 29 HE1 HIS 4 HE1 HIS 4 -52.979 -15.846 32.178 30 HE2 HIS 4 HE2 HIS 4 -52.713 -14.756 34.427 31 H HIS 5 H HIS 5 -48.527 -11.916 29.290 32 HA HIS 5 HA HIS 5 -51.370 -11.749 28.484 33 HB2 HIS 5 2HB HIS 5 -50.573 -10.439 26.494 34 HB3 HIS 5 3HB HIS 5 -50.359 -9.617 28.033 35 HD1 HIS 5 HD1 HIS 5 -48.151 -11.961 25.972 36 HD2 HIS 5 HD2 HIS 5 -47.969 -8.373 28.053 37 HE1 HIS 5 HE1 HIS 5 -45.795 -11.153 25.704 38 HE2 HIS 5 HE2 HIS 5 -45.757 -8.906 26.823 39 H HIS 6 H HIS 6 -52.049 -13.028 26.766 40 HA HIS 6 HA HIS 6 -50.567 -15.437 26.397 41 HB2 HIS 6 2HB HIS 6 -53.057 -15.313 26.463 42 HB3 HIS 6 3HB HIS 6 -53.034 -14.500 24.902 43 HD1 HIS 6 HD1 HIS 6 -53.111 -15.975 22.897 44 HD2 HIS 6 HD2 HIS 6 -51.990 -18.048 26.316 45 HE1 HIS 6 HE1 HIS 6 -53.005 -18.385 22.214 46 HE2 HIS 6 HE2 HIS 6 -52.099 -19.573 24.232 47 H HIS 7 H HIS 7 -48.863 -15.645 25.092 48 HA HIS 7 HA HIS 7 -48.136 -13.747 23.124 49 HB2 HIS 7 2HB HIS 7 -46.352 -14.860 24.152 50 HB3 HIS 7 3HB HIS 7 -47.080 -16.445 23.921 51 HD1 HIS 7 HD1 HIS 7 -45.617 -13.676 21.726 52 HD2 HIS 7 HD2 HIS 7 -45.988 -17.816 21.860 53 HE1 HIS 7 HE1 HIS 7 -44.338 -14.533 19.748 54 HE2 HIS 7 HE2 HIS 7 -44.752 -17.014 19.738 55 H HIS 8 H HIS 8 -48.754 -13.528 21.085 56 HA HIS 8 HA HIS 8 -49.630 -15.905 19.555 57 HB2 HIS 8 2HB HIS 8 -51.429 -14.261 19.750 58 HB3 HIS 8 3HB HIS 8 -50.368 -12.986 19.162 59 HD1 HIS 8 HD1 HIS 8 -49.887 -12.918 16.626 60 HD2 HIS 8 HD2 HIS 8 -52.480 -15.957 17.768 61 HE1 HIS 8 HE1 HIS 8 -50.901 -13.767 14.495 62 HE2 HIS 8 HE2 HIS 8 -52.419 -15.647 15.196 63 H SER 9 H SER 9 -48.177 -16.569 18.080 64 HA SER 9 HA SER 9 -45.846 -14.976 17.492 65 HB2 SER 9 2HB SER 9 -46.687 -17.685 16.419 66 HB3 SER 9 3HB SER 9 -45.107 -16.941 16.173 67 HG SER 9 HG SER 9 -45.142 -18.440 17.929 68 H HIS 10 H HIS 10 -45.069 -14.464 15.344 69 HA HIS 10 HA HIS 10 -47.174 -14.236 13.280 70 HB2 HIS 10 2HB HIS 10 -46.335 -12.053 12.624 71 HB3 HIS 10 3HB HIS 10 -46.749 -12.024 14.334 72 HD1 HIS 10 HD1 HIS 10 -43.868 -11.737 11.982 73 HD2 HIS 10 HD2 HIS 10 -44.544 -11.714 16.087 74 HE1 HIS 10 HE1 HIS 10 -41.739 -10.901 13.012 75 HE2 HIS 10 HE2 HIS 10 -42.218 -10.758 15.477 76 H MET 11 H MET 11 -46.406 -14.221 11.075 77 HA MET 11 HA MET 11 -44.309 -16.082 10.602 78 HB2 MET 11 2HB MET 11 -44.805 -15.751 8.232 79 HB3 MET 11 3HB MET 11 -46.283 -15.946 9.162 80 HG2 MET 11 2HG MET 11 -45.156 -13.338 8.155 81 HG3 MET 11 3HG MET 11 -46.525 -14.215 7.475 82 HE1 MET 11 3HE MET 11 -48.022 -12.022 7.604 83 HE2 MET 11 1HE MET 11 -46.647 -11.135 8.269 84 HE3 MET 11 2HE MET 11 -48.216 -11.060 9.070 85 H ALA 12 H ALA 12 -42.370 -15.808 9.410 86 HA ALA 12 HA ALA 12 -41.095 -13.185 9.758 87 HB1 ALA 12 3HB ALA 12 -39.947 -15.160 10.661 88 HB2 ALA 12 1HB ALA 12 -38.992 -14.369 9.407 89 HB3 ALA 12 2HB ALA 12 -39.870 -15.853 9.041 90 H ASN 13 H ASN 13 -39.222 -12.989 7.871 91 HA ASN 13 HA ASN 13 -40.333 -13.564 5.234 92 HB2 ASN 13 2HB ASN 13 -40.244 -11.207 4.505 93 HB3 ASN 13 3HB ASN 13 -41.416 -11.451 5.793 94 HD21 ASN 13 1HD2 ASN 13 -38.410 -9.987 4.910 95 HD22 ASN 13 2HD2 ASN 13 -38.227 -9.034 6.336 96 H GLY 14 H GLY 14 -38.803 -12.645 3.459 97 HA2 GLY 14 2HA GLY 14 -36.260 -11.781 3.683 98 HA3 GLY 14 3HA GLY 14 -36.101 -13.466 4.154 99 H ALA 15 H ALA 15 -34.667 -13.646 2.310 100 HA ALA 15 HA ALA 15 -36.007 -14.664 -0.012 101 HB1 ALA 15 3HB ALA 15 -34.336 -12.171 -0.366 102 HB2 ALA 15 1HB ALA 15 -36.089 -12.264 -0.529 103 HB3 ALA 15 2HB ALA 15 -35.052 -13.134 -1.658 104 H ALA 16 H ALA 16 -34.533 -15.756 -1.486 105 HA ALA 16 HA ALA 16 -32.342 -16.940 -0.099 106 HB1 ALA 16 3HB ALA 16 -33.144 -17.279 -2.983 107 HB2 ALA 16 1HB ALA 16 -33.757 -18.225 -1.629 108 HB3 ALA 16 2HB ALA 16 -32.055 -18.330 -2.077 109 H GLY 17 H GLY 17 -32.421 -14.047 -1.492 110 HA2 GLY 17 2HA GLY 17 -29.855 -14.028 -2.835 111 HA3 GLY 17 3HA GLY 17 -30.851 -12.629 -2.464 112 H THR 18 H THR 18 -30.792 -14.055 0.388 113 HA THR 18 HA THR 18 -28.882 -12.283 1.542 114 HB THR 18 HB THR 18 -30.191 -14.674 2.875 115 HG1 THR 18 HG1 THR 18 -31.998 -13.533 2.998 116 HG21 THR 18 3HG2 THR 18 -29.128 -12.065 3.987 117 HG22 THR 18 1HG2 THR 18 -28.415 -13.661 4.208 118 HG23 THR 18 2HG2 THR 18 -29.987 -13.294 4.918 119 H LYS 19 H LYS 19 -28.496 -15.309 0.073 120 HA LYS 19 HA LYS 19 -26.600 -16.600 1.663 121 HB2 LYS 19 2HB LYS 19 -25.935 -17.802 -0.410 122 HB3 LYS 19 3HB LYS 19 -27.671 -17.779 -0.137 123 HG2 LYS 19 2HG LYS 19 -28.036 -16.227 -1.868 124 HG3 LYS 19 3HG LYS 19 -26.332 -15.790 -1.948 125 HD2 LYS 19 2HD LYS 19 -26.900 -17.174 -3.850 126 HD3 LYS 19 3HD LYS 19 -25.815 -18.063 -2.783 127 HE2 LYS 19 2HE LYS 19 -27.537 -19.556 -3.522 128 HE3 LYS 19 3HE LYS 19 -27.810 -19.209 -1.815 129 HZ1 LYS 19 3HZ LYS 19 -29.544 -17.681 -2.405 130 HZ2 LYS 19 1HZ LYS 19 -29.850 -19.160 -3.165 131 HZ3 LYS 19 2HZ LYS 19 -29.224 -17.864 -4.053 132 H VAL 20 H VAL 20 -26.167 -13.771 -0.286 133 HA VAL 20 HA VAL 20 -23.228 -13.991 0.023 134 HB VAL 20 HB VAL 20 -24.607 -12.223 -2.010 135 HG11 VAL 20 1HG1 VAL 20 -22.410 -12.276 -3.135 136 HG12 VAL 20 2HG1 VAL 20 -21.770 -13.251 -1.812 137 HG13 VAL 20 3HG1 VAL 20 -22.314 -11.600 -1.510 138 HG21 VAL 20 3HG2 VAL 20 -24.076 -13.952 -3.706 139 HG22 VAL 20 1HG2 VAL 20 -25.278 -14.485 -2.533 140 HG23 VAL 20 2HG2 VAL 20 -23.614 -15.050 -2.406 141 H ALA 21 H ALA 21 -25.479 -12.815 1.773 142 HA ALA 21 HA ALA 21 -25.582 -10.047 1.708 143 HB1 ALA 21 3HB ALA 21 -26.368 -10.146 4.007 144 HB2 ALA 21 1HB ALA 21 -25.743 -11.788 4.168 145 HB3 ALA 21 2HB ALA 21 -27.071 -11.456 3.057 146 H LEU 22 H LEU 22 -23.290 -12.045 3.601 147 HA LEU 22 HA LEU 22 -21.846 -9.587 4.350 148 HB2 LEU 22 2HB LEU 22 -21.646 -12.373 5.505 149 HB3 LEU 22 3HB LEU 22 -20.787 -10.961 6.097 150 HG LEU 22 HG LEU 22 -23.793 -11.318 6.117 151 HD11 LEU 22 1HD1 LEU 22 -22.697 -12.785 7.719 152 HD12 LEU 22 2HD1 LEU 22 -23.555 -11.487 8.546 153 HD13 LEU 22 3HD1 LEU 22 -21.799 -11.418 8.384 154 HD21 LEU 22 3HD2 LEU 22 -23.833 -9.273 7.451 155 HD22 LEU 22 1HD2 LEU 22 -23.135 -8.976 5.859 156 HD23 LEU 22 2HD2 LEU 22 -22.087 -9.109 7.272 157 H ARG 23 H ARG 23 -21.672 -11.699 1.908 158 HA ARG 23 HA ARG 23 -20.097 -12.470 0.459 159 HB2 ARG 23 2HB ARG 23 -18.342 -10.332 1.687 160 HB3 ARG 23 3HB ARG 23 -18.088 -11.113 0.132 161 HG2 ARG 23 2HG ARG 23 -20.162 -10.113 -0.710 162 HG3 ARG 23 3HG ARG 23 -20.416 -9.332 0.853 163 HD2 ARG 23 2HD ARG 23 -18.156 -8.846 -1.093 164 HD3 ARG 23 3HD ARG 23 -19.444 -7.724 -0.652 165 HE ARG 23 HE ARG 23 -18.172 -8.320 1.702 166 HH11 ARG 23 1HH1 ARG 23 -17.257 -6.906 -1.305 167 HH12 ARG 23 2HH1 ARG 23 -15.950 -6.016 -0.609 168 HH21 ARG 23 1HH2 ARG 23 -16.511 -7.171 2.583 169 HH22 ARG 23 2HH2 ARG 23 -15.526 -6.170 1.571 170 H LYS 24 H LYS 24 -19.617 -14.557 1.127 171 HA LYS 24 HA LYS 24 -17.250 -14.855 2.870 172 HB2 LYS 24 2HB LYS 24 -19.675 -16.656 2.673 173 HB3 LYS 24 3HB LYS 24 -18.216 -17.055 3.570 174 HG2 LYS 24 2HG LYS 24 -20.014 -14.694 4.110 175 HG3 LYS 24 3HG LYS 24 -19.982 -16.200 5.026 176 HD2 LYS 24 2HD LYS 24 -17.626 -15.768 5.625 177 HD3 LYS 24 3HD LYS 24 -17.690 -14.247 4.735 178 HE2 LYS 24 2HE LYS 24 -19.515 -13.503 6.263 179 HE3 LYS 24 3HE LYS 24 -19.283 -14.985 7.193 180 HZ1 LYS 24 3HZ LYS 24 -18.092 -13.158 8.199 181 HZ2 LYS 24 1HZ LYS 24 -17.256 -12.855 6.758 182 HZ3 LYS 24 2HZ LYS 24 -16.986 -14.292 7.603 183 H THR 25 H THR 25 -19.054 -17.096 0.737 184 HA THR 25 HA THR 25 -16.530 -18.197 -0.210 185 HB THR 25 HB THR 25 -17.877 -19.898 -1.340 186 HG1 THR 25 HG1 THR 25 -19.759 -19.084 -1.992 187 HG21 THR 25 3HG2 THR 25 -17.372 -20.259 1.022 188 HG22 THR 25 1HG2 THR 25 -18.966 -20.905 0.631 189 HG23 THR 25 2HG2 THR 25 -18.823 -19.369 1.484 190 H LYS 26 H LYS 26 -16.206 -18.634 -2.549 191 HA LYS 26 HA LYS 26 -16.533 -16.265 -4.115 192 HB2 LYS 26 2HB LYS 26 -15.665 -19.013 -5.027 193 HB3 LYS 26 3HB LYS 26 -15.435 -17.513 -5.904 194 HG2 LYS 26 2HG LYS 26 -13.937 -16.690 -4.162 195 HG3 LYS 26 3HG LYS 26 -14.185 -18.175 -3.239 196 HD2 LYS 26 2HD LYS 26 -13.241 -19.467 -5.135 197 HD3 LYS 26 3HD LYS 26 -12.920 -17.952 -5.978 198 HE2 LYS 26 2HE LYS 26 -11.777 -18.688 -3.285 199 HE3 LYS 26 3HE LYS 26 -10.933 -18.898 -4.815 200 HZ1 LYS 26 3HZ LYS 26 -11.886 -16.303 -3.737 201 HZ2 LYS 26 1HZ LYS 26 -11.002 -16.528 -5.161 202 HZ3 LYS 26 2HZ LYS 26 -10.296 -16.860 -3.664 203 H GLN 27 H GLN 27 -17.800 -15.920 -5.937 204 HA GLN 27 HA GLN 27 -20.286 -17.486 -5.959 205 HB2 GLN 27 2HB GLN 27 -21.300 -15.488 -7.012 206 HB3 GLN 27 3HB GLN 27 -20.567 -15.138 -5.455 207 HG2 GLN 27 2HG GLN 27 -18.524 -14.363 -6.787 208 HG3 GLN 27 3HG GLN 27 -19.585 -14.391 -8.194 209 HE21 GLN 27 1HE2 GLN 27 -21.331 -12.920 -8.274 210 HE22 GLN 27 2HE2 GLN 27 -21.355 -11.505 -7.287 211 H ALA 28 H ALA 28 -18.049 -15.972 -8.305 212 HA ALA 28 HA ALA 28 -18.205 -18.194 -10.098 213 HB1 ALA 28 3HB ALA 28 -20.371 -17.129 -10.619 214 HB2 ALA 28 1HB ALA 28 -19.263 -17.083 -11.990 215 HB3 ALA 28 2HB ALA 28 -19.525 -15.635 -11.022 216 H ALA 29 H ALA 29 -16.322 -18.274 -11.217 217 HA ALA 29 HA ALA 29 -14.200 -16.585 -10.705 218 HB1 ALA 29 3HB ALA 29 -13.968 -18.858 -11.580 219 HB2 ALA 29 1HB ALA 29 -13.023 -17.702 -12.518 220 HB3 ALA 29 2HB ALA 29 -14.550 -18.315 -13.154 221 H GLU 30 H GLU 30 -16.571 -16.294 -13.289 222 HA GLU 30 HA GLU 30 -15.305 -14.317 -14.851 223 HB2 GLU 30 2HB GLU 30 -18.282 -14.574 -14.373 224 HB3 GLU 30 3HB GLU 30 -17.488 -13.878 -15.778 225 HG2 GLU 30 2HG GLU 30 -16.693 -16.042 -16.469 226 HG3 GLU 30 3HG GLU 30 -17.304 -16.783 -14.988 227 H LYS 31 H LYS 31 -17.126 -14.137 -11.886 228 HA LYS 31 HA LYS 31 -17.331 -11.215 -11.984 229 HB2 LYS 31 2HB LYS 31 -19.308 -12.725 -11.459 230 HB3 LYS 31 3HB LYS 31 -18.509 -13.118 -9.945 231 HG2 LYS 31 2HG LYS 31 -20.139 -11.453 -9.492 232 HG3 LYS 31 3HG LYS 31 -18.557 -10.680 -9.377 233 HD2 LYS 31 2HD LYS 31 -18.822 -9.675 -11.547 234 HD3 LYS 31 3HD LYS 31 -20.304 -10.587 -11.840 235 HE2 LYS 31 2HE LYS 31 -21.356 -9.410 -9.927 236 HE3 LYS 31 3HE LYS 31 -19.890 -8.444 -9.753 237 HZ1 LYS 31 3HZ LYS 31 -20.239 -7.522 -11.919 238 HZ2 LYS 31 1HZ LYS 31 -21.654 -7.327 -11.018 239 HZ3 LYS 31 2HZ LYS 31 -21.564 -8.531 -12.204 240 H ILE 32 H ILE 32 -15.341 -13.618 -10.601 241 HA ILE 32 HA ILE 32 -14.768 -12.282 -8.109 242 HB ILE 32 HB ILE 32 -13.252 -14.524 -9.466 243 HG12 ILE 32 2HG1 ILE 32 -15.265 -14.681 -7.203 244 HG13 ILE 32 3HG1 ILE 32 -15.638 -15.045 -8.884 245 HG21 ILE 32 1HG2 ILE 32 -11.858 -13.351 -7.855 246 HG22 ILE 32 2HG2 ILE 32 -12.300 -14.942 -7.231 247 HG23 ILE 32 3HG2 ILE 32 -13.115 -13.499 -6.626 248 HD11 ILE 32 3HD1 ILE 32 -13.947 -16.839 -8.831 249 HD12 ILE 32 1HD1 ILE 32 -15.261 -17.083 -7.682 250 HD13 ILE 32 2HD1 ILE 32 -13.693 -16.509 -7.117 251 H SER 33 H SER 33 -13.349 -10.697 -7.762 252 HA SER 33 HA SER 33 -11.419 -9.962 -9.840 253 HB2 SER 33 2HB SER 33 -12.121 -8.563 -7.238 254 HB3 SER 33 3HB SER 33 -11.033 -7.934 -8.476 255 HG SER 33 HG SER 33 -12.788 -7.081 -9.254 256 H ALA 34 H ALA 34 -11.540 -11.340 -6.633 257 HA ALA 34 HA ALA 34 -8.982 -10.913 -5.674 258 HB1 ALA 34 3HB ALA 34 -9.318 -12.881 -4.276 259 HB2 ALA 34 1HB ALA 34 -10.648 -13.406 -5.306 260 HB3 ALA 34 2HB ALA 34 -10.795 -11.920 -4.365 261 H ASP 35 H ASP 35 -10.009 -13.900 -7.383 262 HA ASP 35 HA ASP 35 -7.386 -14.923 -7.659 263 HB2 ASP 35 2HB ASP 35 -9.908 -15.582 -9.204 264 HB3 ASP 35 3HB ASP 35 -8.426 -16.539 -9.227 265 H LYS 36 H LYS 36 -8.898 -12.396 -9.306 266 HA LYS 36 HA LYS 36 -7.415 -12.694 -11.788 267 HB2 LYS 36 2HB LYS 36 -9.639 -11.821 -11.984 268 HB3 LYS 36 3HB LYS 36 -9.341 -10.598 -10.764 269 HG2 LYS 36 2HG LYS 36 -7.683 -10.538 -13.240 270 HG3 LYS 36 3HG LYS 36 -9.367 -10.028 -13.348 271 HD2 LYS 36 2HD LYS 36 -8.985 -8.377 -11.568 272 HD3 LYS 36 3HD LYS 36 -7.306 -8.895 -11.439 273 HE2 LYS 36 2HE LYS 36 -8.557 -7.722 -13.924 274 HE3 LYS 36 3HE LYS 36 -7.611 -6.810 -12.752 275 HZ1 LYS 36 3HZ LYS 36 -6.637 -9.072 -14.410 276 HZ2 LYS 36 1HZ LYS 36 -5.720 -8.266 -13.239 277 HZ3 LYS 36 2HZ LYS 36 -6.251 -7.439 -14.612 278 H ILE 37 H ILE 37 -6.971 -11.190 -8.714 279 HA ILE 37 HA ILE 37 -5.169 -9.127 -9.564 280 HB ILE 37 HB ILE 37 -5.455 -10.327 -6.795 281 HG12 ILE 37 2HG1 ILE 37 -7.610 -9.453 -7.558 282 HG13 ILE 37 3HG1 ILE 37 -6.937 -8.396 -6.324 283 HG21 ILE 37 1HG2 ILE 37 -3.378 -9.081 -7.099 284 HG22 ILE 37 2HG2 ILE 37 -4.476 -8.214 -6.024 285 HG23 ILE 37 3HG2 ILE 37 -4.283 -7.690 -7.698 286 HD11 ILE 37 3HD1 ILE 37 -6.220 -6.831 -8.054 287 HD12 ILE 37 1HD1 ILE 37 -7.956 -7.132 -8.127 288 HD13 ILE 37 2HD1 ILE 37 -6.881 -7.899 -9.294 289 H SER 38 H SER 38 -3.392 -9.817 -10.649 290 HA SER 38 HA SER 38 -1.855 -12.118 -9.784 291 HB2 SER 38 2HB SER 38 -1.219 -10.077 -11.937 292 HB3 SER 38 3HB SER 38 -0.398 -11.618 -11.695 293 HG SER 38 HG SER 38 -2.218 -11.381 -13.332 294 H LYS 39 H LYS 39 0.346 -12.055 -9.124 295 HA LYS 39 HA LYS 39 1.065 -10.206 -7.177 296 HB2 LYS 39 2HB LYS 39 2.094 -12.373 -7.248 297 HB3 LYS 39 3HB LYS 39 2.749 -12.079 -8.852 298 HG2 LYS 39 2HG LYS 39 4.237 -10.365 -7.934 299 HG3 LYS 39 3HG LYS 39 3.575 -10.659 -6.325 300 HD2 LYS 39 2HD LYS 39 4.413 -12.933 -6.348 301 HD3 LYS 39 3HD LYS 39 4.969 -12.744 -8.011 302 HE2 LYS 39 2HE LYS 39 6.524 -10.975 -7.259 303 HE3 LYS 39 3HE LYS 39 6.001 -11.250 -5.597 304 HZ1 LYS 39 3HZ LYS 39 6.860 -13.472 -5.692 305 HZ2 LYS 39 1HZ LYS 39 8.080 -12.404 -6.172 306 HZ3 LYS 39 2HZ LYS 39 7.247 -13.310 -7.329 307 H GLU 40 H GLU 40 2.272 -10.431 -10.514 308 HA GLU 40 HA GLU 40 3.933 -8.239 -10.633 309 HB2 GLU 40 2HB GLU 40 3.294 -8.168 -13.092 310 HB3 GLU 40 3HB GLU 40 3.850 -9.721 -12.485 311 HG2 GLU 40 2HG GLU 40 1.487 -10.435 -12.255 312 HG3 GLU 40 3HG GLU 40 0.989 -8.909 -12.980 313 H ALA 41 H ALA 41 0.425 -8.253 -11.299 314 HA ALA 41 HA ALA 41 0.140 -5.582 -12.047 315 HB1 ALA 41 3HB ALA 41 -1.578 -7.289 -12.401 316 HB2 ALA 41 1HB ALA 41 -2.235 -5.862 -11.601 317 HB3 ALA 41 2HB ALA 41 -1.902 -7.322 -10.668 318 H LEU 42 H LEU 42 -0.032 -7.037 -8.817 319 HA LEU 42 HA LEU 42 -0.815 -4.676 -7.446 320 HB2 LEU 42 2HB LEU 42 -0.994 -7.039 -6.595 321 HB3 LEU 42 3HB LEU 42 0.735 -7.025 -6.330 322 HG LEU 42 HG LEU 42 -1.063 -5.005 -4.989 323 HD11 LEU 42 1HD1 LEU 42 -1.160 -6.475 -3.037 324 HD12 LEU 42 2HD1 LEU 42 -0.344 -7.748 -3.947 325 HD13 LEU 42 3HD1 LEU 42 -1.949 -7.205 -4.434 326 HD21 LEU 42 3HD2 LEU 42 0.746 -4.978 -3.309 327 HD22 LEU 42 1HD2 LEU 42 1.318 -4.520 -4.912 328 HD23 LEU 42 2HD2 LEU 42 1.654 -6.133 -4.286 329 H LEU 43 H LEU 43 2.373 -6.166 -8.016 330 HA LEU 43 HA LEU 43 3.928 -4.289 -6.621 331 HB2 LEU 43 2HB LEU 43 4.662 -5.936 -9.049 332 HB3 LEU 43 3HB LEU 43 5.810 -5.082 -8.034 333 HG LEU 43 HG LEU 43 4.057 -7.390 -7.167 334 HD11 LEU 43 1HD1 LEU 43 6.156 -8.632 -7.000 335 HD12 LEU 43 2HD1 LEU 43 7.035 -7.242 -7.641 336 HD13 LEU 43 3HD1 LEU 43 5.858 -8.086 -8.649 337 HD21 LEU 43 3HD2 LEU 43 4.423 -5.827 -5.330 338 HD22 LEU 43 1HD2 LEU 43 6.161 -5.861 -5.626 339 HD23 LEU 43 2HD2 LEU 43 5.331 -7.316 -5.071 340 H GLU 44 H GLU 44 2.854 -4.319 -10.003 341 HA GLU 44 HA GLU 44 4.192 -2.032 -10.918 342 HB2 GLU 44 2HB GLU 44 1.473 -3.080 -11.739 343 HB3 GLU 44 3HB GLU 44 2.421 -1.912 -12.649 344 HG2 GLU 44 2HG GLU 44 3.254 -4.751 -12.057 345 HG3 GLU 44 3HG GLU 44 2.553 -4.189 -13.572 346 H CYS 45 H CYS 45 0.943 -2.322 -9.465 347 HA CYS 45 HA CYS 45 0.263 0.413 -9.572 348 HB2 CYS 45 2HB CYS 45 -0.658 -1.718 -7.623 349 HB3 CYS 45 3HB CYS 45 -1.410 -0.136 -7.809 350 HG CYS 45 HG CYS 45 -1.702 -0.900 -10.727 351 H ALA 46 H ALA 46 1.632 -1.489 -6.881 352 HA ALA 46 HA ALA 46 1.787 0.601 -5.012 353 HB1 ALA 46 3HB ALA 46 3.535 -1.854 -5.195 354 HB2 ALA 46 1HB ALA 46 1.950 -1.778 -4.424 355 HB3 ALA 46 2HB ALA 46 3.296 -0.846 -3.767 356 H ASP 47 H ASP 47 4.056 -0.446 -7.504 357 HA ASP 47 HA ASP 47 6.349 0.931 -6.728 358 HB2 ASP 47 2HB ASP 47 6.072 -0.765 -8.610 359 HB3 ASP 47 3HB ASP 47 5.466 0.558 -9.600 360 H LEU 48 H LEU 48 3.529 2.061 -8.523 361 HA LEU 48 HA LEU 48 4.468 4.566 -9.338 362 HB2 LEU 48 2HB LEU 48 1.673 3.680 -8.610 363 HB3 LEU 48 3HB LEU 48 2.041 5.222 -9.358 364 HG LEU 48 HG LEU 48 2.587 2.515 -10.589 365 HD11 LEU 48 1HD1 LEU 48 0.802 3.114 -12.165 366 HD12 LEU 48 2HD1 LEU 48 0.477 4.577 -11.236 367 HD13 LEU 48 3HD1 LEU 48 0.205 2.992 -10.509 368 HD21 LEU 48 3HD2 LEU 48 4.229 4.168 -11.282 369 HD22 LEU 48 1HD2 LEU 48 2.944 5.300 -11.702 370 HD23 LEU 48 2HD2 LEU 48 3.129 3.800 -12.610 371 H LEU 49 H LEU 49 2.931 3.603 -6.281 372 HA LEU 49 HA LEU 49 2.661 6.198 -5.198 373 HB2 LEU 49 2HB LEU 49 2.856 3.487 -3.886 374 HB3 LEU 49 3HB LEU 49 2.641 4.960 -2.961 375 HG LEU 49 HG LEU 49 0.504 5.374 -4.166 376 HD11 LEU 49 1HD1 LEU 49 0.964 2.622 -5.319 377 HD12 LEU 49 2HD1 LEU 49 0.972 4.139 -6.220 378 HD13 LEU 49 3HD1 LEU 49 -0.516 3.572 -5.464 379 HD21 LEU 49 3HD2 LEU 49 -0.773 3.629 -3.004 380 HD22 LEU 49 1HD2 LEU 49 0.509 4.286 -1.988 381 HD23 LEU 49 2HD2 LEU 49 0.713 2.711 -2.755 382 H SER 50 H SER 50 5.163 3.722 -4.555 383 HA SER 50 HA SER 50 6.744 5.282 -2.843 384 HB2 SER 50 2HB SER 50 8.586 3.687 -3.394 385 HB3 SER 50 3HB SER 50 7.072 2.877 -2.994 386 HG SER 50 HG SER 50 7.423 1.887 -4.820 387 H SER 51 H SER 51 7.001 4.822 -6.366 388 HA SER 51 HA SER 51 9.237 6.533 -6.714 389 HB2 SER 51 2HB SER 51 8.641 4.882 -8.410 390 HB3 SER 51 3HB SER 51 7.116 5.712 -8.717 391 HG SER 51 HG SER 51 9.732 6.747 -9.154 392 H ALA 52 H ALA 52 5.765 7.190 -6.652 393 HA ALA 52 HA ALA 52 5.936 9.832 -7.729 394 HB1 ALA 52 3HB ALA 52 3.639 10.105 -6.967 395 HB2 ALA 52 1HB ALA 52 3.774 8.642 -5.988 396 HB3 ALA 52 2HB ALA 52 3.851 8.537 -7.747 397 H LEU 53 H LEU 53 6.132 8.537 -4.453 398 HA LEU 53 HA LEU 53 5.788 10.963 -3.056 399 HB2 LEU 53 2HB LEU 53 7.207 8.417 -2.273 400 HB3 LEU 53 3HB LEU 53 6.922 9.748 -1.165 401 HG LEU 53 HG LEU 53 4.754 8.169 -2.566 402 HD11 LEU 53 1HD1 LEU 53 5.684 8.059 0.302 403 HD12 LEU 53 2HD1 LEU 53 5.912 6.806 -0.918 404 HD13 LEU 53 3HD1 LEU 53 4.288 7.212 -0.366 405 HD21 LEU 53 3HD2 LEU 53 3.231 9.336 -1.034 406 HD22 LEU 53 1HD2 LEU 53 4.067 10.458 -2.106 407 HD23 LEU 53 2HD2 LEU 53 4.580 10.295 -0.425 408 H THR 54 H THR 54 8.436 9.964 -4.961 409 HA THR 54 HA THR 54 10.430 11.509 -3.500 410 HB THR 54 HB THR 54 12.023 10.853 -5.208 411 HG1 THR 54 HG1 THR 54 9.823 9.655 -6.579 412 HG21 THR 54 3HG2 THR 54 11.888 8.401 -5.012 413 HG22 THR 54 1HG2 THR 54 10.221 8.544 -4.452 414 HG23 THR 54 2HG2 THR 54 11.539 9.197 -3.478 415 H GLU 55 H GLU 55 7.961 12.338 -5.537 416 HA GLU 55 HA GLU 55 9.302 14.868 -6.238 417 HB2 GLU 55 2HB GLU 55 8.091 14.929 -8.382 418 HB3 GLU 55 3HB GLU 55 9.162 13.538 -8.294 419 HG2 GLU 55 2HG GLU 55 7.314 12.061 -7.875 420 HG3 GLU 55 3HG GLU 55 6.203 13.422 -7.729 421 HA PRO 56 HA PRO 56 5.700 16.838 -4.468 422 HB2 PRO 56 2HB PRO 56 5.565 18.658 -6.808 423 HB3 PRO 56 3HB PRO 56 5.774 19.043 -5.097 424 HG2 PRO 56 2HG PRO 56 7.808 19.267 -6.822 425 HG3 PRO 56 3HG PRO 56 8.067 18.701 -5.159 426 HD2 PRO 56 2HD PRO 56 7.927 17.113 -7.704 427 HD3 PRO 56 3HD PRO 56 9.016 16.920 -6.311 428 H VAL 57 H VAL 57 3.711 15.954 -4.509 429 HA VAL 57 HA VAL 57 2.208 15.813 -7.024 430 HB VAL 57 HB VAL 57 1.380 13.501 -6.358 431 HG11 VAL 57 1HG1 VAL 57 2.929 13.816 -8.220 432 HG12 VAL 57 2HG1 VAL 57 3.289 12.327 -7.348 433 HG13 VAL 57 3HG1 VAL 57 4.298 13.754 -7.108 434 HG21 VAL 57 3HG2 VAL 57 3.826 13.582 -4.574 435 HG22 VAL 57 1HG2 VAL 57 2.847 12.153 -4.918 436 HG23 VAL 57 2HG2 VAL 57 2.146 13.509 -4.036 437 HA PRO 58 HA PRO 58 -1.071 17.337 -4.471 438 HB2 PRO 58 2HB PRO 58 -3.240 16.444 -5.902 439 HB3 PRO 58 3HB PRO 58 -2.283 17.864 -6.335 440 HG2 PRO 58 2HG PRO 58 -2.166 15.089 -7.432 441 HG3 PRO 58 3HG PRO 58 -2.023 16.635 -8.282 442 HD2 PRO 58 2HD PRO 58 0.128 15.097 -7.670 443 HD3 PRO 58 3HD PRO 58 0.211 16.870 -7.741 444 H ASN 59 H ASN 59 -2.175 16.672 -2.732 445 HA ASN 59 HA ASN 59 -1.916 14.204 -1.579 446 HB2 ASN 59 2HB ASN 59 -2.584 16.207 -0.357 447 HB3 ASN 59 3HB ASN 59 -4.142 16.215 -1.179 448 HD21 ASN 59 1HD2 ASN 59 -2.207 14.701 1.260 449 HD22 ASN 59 2HD2 ASN 59 -3.493 13.820 2.000 450 H SER 60 H SER 60 -4.755 15.353 -3.411 451 HA SER 60 HA SER 60 -6.360 13.080 -3.112 452 HB2 SER 60 2HB SER 60 -7.231 15.195 -4.004 453 HB3 SER 60 3HB SER 60 -6.264 14.992 -5.464 454 HG SER 60 HG SER 60 -7.731 13.702 -6.228 455 H GLN 61 H GLN 61 -3.813 13.743 -5.486 456 HA GLN 61 HA GLN 61 -4.266 11.548 -7.195 457 HB2 GLN 61 2HB GLN 61 -2.825 13.464 -7.769 458 HB3 GLN 61 3HB GLN 61 -1.664 12.969 -6.551 459 HG2 GLN 61 2HG GLN 61 -2.395 11.170 -8.843 460 HG3 GLN 61 3HG GLN 61 -1.177 12.429 -9.010 461 HE21 GLN 61 1HE2 GLN 61 -0.861 9.558 -9.221 462 HE22 GLN 61 2HE2 GLN 61 0.305 9.111 -8.031 463 H LEU 62 H LEU 62 -2.166 11.886 -4.344 464 HA LEU 62 HA LEU 62 -1.101 9.286 -4.345 465 HB2 LEU 62 2HB LEU 62 -1.606 11.206 -2.071 466 HB3 LEU 62 3HB LEU 62 -0.714 9.705 -1.893 467 HG LEU 62 HG LEU 62 0.083 11.987 -3.710 468 HD11 LEU 62 1HD1 LEU 62 1.226 11.128 -1.052 469 HD12 LEU 62 2HD1 LEU 62 0.300 12.598 -1.361 470 HD13 LEU 62 3HD1 LEU 62 1.883 12.382 -2.108 471 HD21 LEU 62 3HD2 LEU 62 2.208 10.738 -3.912 472 HD22 LEU 62 1HD2 LEU 62 0.837 9.849 -4.576 473 HD23 LEU 62 2HD2 LEU 62 1.494 9.410 -2.998 474 H VAL 63 H VAL 63 -3.929 10.582 -2.596 475 HA VAL 63 HA VAL 63 -4.652 8.176 -1.312 476 HB VAL 63 HB VAL 63 -6.468 10.467 -2.109 477 HG11 VAL 63 1HG1 VAL 63 -7.910 9.704 -0.285 478 HG12 VAL 63 2HG1 VAL 63 -6.824 8.348 0.018 479 HG13 VAL 63 3HG1 VAL 63 -7.712 8.444 -1.502 480 HG21 VAL 63 3HG2 VAL 63 -6.069 11.308 0.170 481 HG22 VAL 63 1HG2 VAL 63 -4.582 11.249 -0.775 482 HG23 VAL 63 2HG2 VAL 63 -4.904 10.011 0.439 483 H ASP 64 H ASP 64 -5.700 9.560 -4.421 484 HA ASP 64 HA ASP 64 -7.638 7.594 -5.045 485 HB2 ASP 64 2HB ASP 64 -7.580 9.766 -6.170 486 HB3 ASP 64 3HB ASP 64 -6.011 9.385 -6.872 487 H THR 65 H THR 65 -4.273 7.962 -6.189 488 HA THR 65 HA THR 65 -4.152 5.577 -7.681 489 HB THR 65 HB THR 65 -1.832 6.967 -6.310 490 HG1 THR 65 HG1 THR 65 -2.334 8.537 -7.638 491 HG21 THR 65 3HG2 THR 65 -1.266 4.742 -7.172 492 HG22 THR 65 1HG2 THR 65 -0.487 6.005 -8.124 493 HG23 THR 65 2HG2 THR 65 -1.916 5.183 -8.752 494 H GLY 66 H GLY 66 -3.385 6.234 -4.286 495 HA2 GLY 66 2HA GLY 66 -2.442 3.588 -3.707 496 HA3 GLY 66 3HA GLY 66 -2.856 4.826 -2.534 497 H HIS 67 H HIS 67 -5.583 5.105 -3.714 498 HA HIS 67 HA HIS 67 -7.017 3.482 -1.989 499 HB2 HIS 67 2HB HIS 67 -7.927 5.509 -3.005 500 HB3 HIS 67 3HB HIS 67 -7.937 4.739 -4.586 501 HD1 HIS 67 HD1 HIS 67 -9.985 3.424 -5.200 502 HD2 HIS 67 HD2 HIS 67 -9.845 4.373 -1.151 503 HE1 HIS 67 HE1 HIS 67 -12.225 2.768 -4.275 504 HE2 HIS 67 HE2 HIS 67 -12.162 3.447 -1.858 505 H GLN 68 H GLN 68 -6.180 2.866 -5.392 506 HA GLN 68 HA GLN 68 -7.807 0.562 -5.682 507 HB2 GLN 68 2HB GLN 68 -6.609 0.122 -7.727 508 HB3 GLN 68 3HB GLN 68 -6.887 1.854 -7.599 509 HG2 GLN 68 2HG GLN 68 -4.596 2.215 -6.923 510 HG3 GLN 68 3HG GLN 68 -4.299 0.478 -6.892 511 HE21 GLN 68 1HE2 GLN 68 -2.952 2.545 -8.433 512 HE22 GLN 68 2HE2 GLN 68 -3.126 2.091 -10.091 513 H LEU 69 H LEU 69 -4.605 1.018 -4.322 514 HA LEU 69 HA LEU 69 -3.638 -1.605 -4.469 515 HB2 LEU 69 2HB LEU 69 -3.116 0.680 -2.601 516 HB3 LEU 69 3HB LEU 69 -2.462 -0.898 -2.213 517 HG LEU 69 HG LEU 69 -0.789 0.457 -3.344 518 HD11 LEU 69 1HD1 LEU 69 -0.719 -1.941 -3.725 519 HD12 LEU 69 2HD1 LEU 69 -0.200 -1.073 -5.169 520 HD13 LEU 69 3HD1 LEU 69 -1.815 -1.776 -5.096 521 HD21 LEU 69 3HD2 LEU 69 -2.740 0.592 -5.647 522 HD22 LEU 69 1HD2 LEU 69 -1.074 1.173 -5.668 523 HD23 LEU 69 2HD2 LEU 69 -2.260 1.936 -4.607 524 H LEU 70 H LEU 70 -5.963 -0.174 -2.253 525 HA LEU 70 HA LEU 70 -6.117 -2.352 -0.440 526 HB2 LEU 70 2HB LEU 70 -7.971 -0.101 -1.161 527 HB3 LEU 70 3HB LEU 70 -8.537 -1.391 -0.120 528 HG LEU 70 HG LEU 70 -7.764 0.575 1.157 529 HD11 LEU 70 1HD1 LEU 70 -6.050 -1.883 1.535 530 HD12 LEU 70 2HD1 LEU 70 -7.671 -1.632 2.183 531 HD13 LEU 70 3HD1 LEU 70 -6.335 -0.626 2.741 532 HD21 LEU 70 3HD2 LEU 70 -6.017 1.368 -0.355 533 HD22 LEU 70 1HD2 LEU 70 -5.047 -0.064 -0.003 534 HD23 LEU 70 2HD2 LEU 70 -5.375 1.114 1.269 535 H ASP 71 H ASP 71 -7.803 -1.644 -3.474 536 HA ASP 71 HA ASP 71 -9.576 -3.834 -3.484 537 HB2 ASP 71 2HB ASP 71 -9.751 -1.884 -4.999 538 HB3 ASP 71 3HB ASP 71 -8.294 -2.405 -5.835 539 H TYR 72 H TYR 72 -6.425 -3.464 -5.125 540 HA TYR 72 HA TYR 72 -6.100 -6.083 -6.018 541 HB2 TYR 72 2HB TYR 72 -4.057 -4.013 -5.194 542 HB3 TYR 72 3HB TYR 72 -3.596 -5.572 -5.864 543 HD1 TYR 72 HD1 TYR 72 -5.449 -2.444 -6.614 544 HD2 TYR 72 HD2 TYR 72 -3.610 -5.934 -8.214 545 HE1 TYR 72 HE1 TYR 72 -5.673 -1.512 -8.873 546 HE2 TYR 72 HE2 TYR 72 -3.829 -5.011 -10.485 547 HH TYR 72 HH TYR 72 -4.677 -1.739 -11.071 548 H CYS 73 H CYS 73 -4.910 -4.675 -2.949 549 HA CYS 73 HA CYS 73 -3.674 -7.021 -1.998 550 HB2 CYS 73 2HB CYS 73 -4.716 -4.616 -0.491 551 HB3 CYS 73 3HB CYS 73 -3.764 -5.901 0.248 552 HG CYS 73 HG CYS 73 -2.773 -3.365 -1.708 553 H SER 74 H SER 74 -6.930 -5.731 -1.340 554 HA SER 74 HA SER 74 -7.716 -7.595 0.598 555 HB2 SER 74 2HB SER 74 -8.991 -5.533 0.059 556 HB3 SER 74 3HB SER 74 -9.499 -6.265 -1.463 557 HG SER 74 HG SER 74 -10.955 -7.384 -0.429 558 H GLY 75 H GLY 75 -7.817 -7.796 -2.932 559 HA2 GLY 75 2HA GLY 75 -9.104 -10.401 -2.896 560 HA3 GLY 75 3HA GLY 75 -8.522 -9.539 -4.311 561 H TYR 76 H TYR 76 -5.827 -9.159 -3.393 562 HA TYR 76 HA TYR 76 -4.692 -11.524 -4.416 563 HB2 TYR 76 2HB TYR 76 -3.661 -9.269 -4.597 564 HB3 TYR 76 3HB TYR 76 -3.290 -9.323 -2.877 565 HD1 TYR 76 HD2 TYR 76 -2.766 -11.355 -5.974 566 HD2 TYR 76 HD1 TYR 76 -1.165 -10.036 -2.255 567 HE1 TYR 76 HE2 TYR 76 -0.648 -12.486 -6.492 568 HE2 TYR 76 HE1 TYR 76 0.957 -11.167 -2.764 569 HH TYR 76 HH TYR 76 1.807 -12.947 -4.133 570 H VAL 77 H VAL 77 -5.064 -10.365 -1.090 571 HA VAL 77 HA VAL 77 -3.371 -12.190 0.180 572 HB VAL 77 HB VAL 77 -4.390 -10.219 1.297 573 HG11 VAL 77 1HG1 VAL 77 -6.871 -11.934 1.462 574 HG12 VAL 77 2HG1 VAL 77 -6.694 -10.456 0.514 575 HG13 VAL 77 3HG1 VAL 77 -6.626 -10.388 2.278 576 HG21 VAL 77 3HG2 VAL 77 -4.697 -11.307 3.489 577 HG22 VAL 77 1HG2 VAL 77 -3.294 -11.921 2.621 578 HG23 VAL 77 2HG2 VAL 77 -4.777 -12.871 2.685 579 H ASP 78 H ASP 78 -6.572 -12.635 -1.113 580 HA ASP 78 HA ASP 78 -7.299 -15.040 0.154 581 HB2 ASP 78 2HB ASP 78 -8.929 -13.768 -1.068 582 HB3 ASP 78 3HB ASP 78 -7.996 -13.880 -2.555 583 H CYS 79 H CYS 79 -5.275 -14.405 -2.664 584 HA CYS 79 HA CYS 79 -5.037 -17.191 -3.389 585 HB2 CYS 79 2HB CYS 79 -3.548 -14.754 -4.394 586 HB3 CYS 79 3HB CYS 79 -3.424 -16.366 -5.087 587 HG CYS 79 HG CYS 79 -5.646 -14.004 -5.676 588 H ILE 80 H ILE 80 -3.338 -15.037 -1.284 589 HA ILE 80 HA ILE 80 -0.756 -16.208 -1.389 590 HB ILE 80 HB ILE 80 -2.040 -14.657 0.869 591 HG12 ILE 80 2HG1 ILE 80 -0.210 -13.746 -1.374 592 HG13 ILE 80 3HG1 ILE 80 -1.925 -13.376 -1.225 593 HG21 ILE 80 1HG2 ILE 80 0.877 -15.282 0.378 594 HG22 ILE 80 2HG2 ILE 80 -0.129 -15.972 1.652 595 HG23 ILE 80 3HG2 ILE 80 0.243 -14.249 1.660 596 HD11 ILE 80 3HD1 ILE 80 -1.481 -12.107 0.807 597 HD12 ILE 80 1HD1 ILE 80 -0.535 -11.497 -0.551 598 HD13 ILE 80 2HD1 ILE 80 0.235 -12.497 0.682 599 HA PRO 81 HA PRO 81 -1.803 -19.797 1.183 600 HB2 PRO 81 2HB PRO 81 0.277 -21.343 0.425 601 HB3 PRO 81 3HB PRO 81 -1.162 -21.127 -0.574 602 HG2 PRO 81 2HG PRO 81 1.545 -19.933 -0.871 603 HG3 PRO 81 3HG PRO 81 0.374 -20.393 -2.117 604 HD2 PRO 81 2HD PRO 81 0.838 -17.795 -1.155 605 HD3 PRO 81 3HD PRO 81 -0.545 -18.319 -2.132 606 H GLN 82 H GLN 82 1.489 -18.375 0.942 607 HA GLN 82 HA GLN 82 2.466 -19.422 3.373 608 HB2 GLN 82 2HB GLN 82 3.251 -16.928 1.854 609 HB3 GLN 82 3HB GLN 82 4.074 -17.452 3.313 610 HG2 GLN 82 2HG GLN 82 5.451 -18.374 1.770 611 HG3 GLN 82 3HG GLN 82 4.318 -19.707 1.963 612 HE21 GLN 82 1HE2 GLN 82 6.025 -19.011 -0.297 613 HE22 GLN 82 2HE2 GLN 82 4.969 -18.834 -1.651 614 H THR 83 H THR 83 1.322 -19.169 5.231 615 HA THR 83 HA THR 83 -0.210 -16.896 5.904 616 HB THR 83 HB THR 83 0.975 -18.840 7.902 617 HG1 THR 83 HG1 THR 83 -1.249 -19.821 7.524 618 HG21 THR 83 3HG2 THR 83 -1.530 -17.142 7.934 619 HG22 THR 83 1HG2 THR 83 -0.083 -16.888 8.914 620 HG23 THR 83 2HG2 THR 83 -1.085 -18.316 9.174 621 H ARG 84 H ARG 84 3.159 -17.717 6.465 622 HA ARG 84 HA ARG 84 3.840 -15.753 8.351 623 HB2 ARG 84 2HB ARG 84 5.412 -17.123 6.173 624 HB3 ARG 84 3HB ARG 84 6.154 -15.889 7.176 625 HG2 ARG 84 2HG ARG 84 6.659 -18.146 7.956 626 HG3 ARG 84 3HG ARG 84 5.772 -17.217 9.166 627 HD2 ARG 84 2HD ARG 84 3.715 -18.379 8.565 628 HD3 ARG 84 3HD ARG 84 4.564 -19.259 7.293 629 HE ARG 84 HE ARG 84 5.261 -19.552 10.147 630 HH11 ARG 84 1HH1 ARG 84 4.495 -20.930 7.081 631 HH12 ARG 84 2HH1 ARG 84 4.805 -22.547 7.615 632 HH21 ARG 84 1HH2 ARG 84 5.674 -21.631 10.796 633 HH22 ARG 84 2HH2 ARG 84 5.463 -22.934 9.675 634 H ASN 85 H ASN 85 3.819 -15.585 4.794 635 HA ASN 85 HA ASN 85 4.484 -12.805 4.688 636 HB2 ASN 85 2HB ASN 85 3.173 -14.552 2.586 637 HB3 ASN 85 3HB ASN 85 3.847 -12.949 2.308 638 HD21 ASN 85 1HD2 ASN 85 5.383 -13.566 0.866 639 HD22 ASN 85 2HD2 ASN 85 6.725 -14.574 1.263 640 H LYS 86 H LYS 86 1.457 -14.636 4.580 641 HA LYS 86 HA LYS 86 -0.267 -12.562 3.835 642 HB2 LYS 86 2HB LYS 86 -0.880 -14.954 3.797 643 HB3 LYS 86 3HB LYS 86 -0.903 -14.970 5.554 644 HG2 LYS 86 2HG LYS 86 -2.766 -13.449 5.600 645 HG3 LYS 86 3HG LYS 86 -2.680 -13.229 3.853 646 HD2 LYS 86 2HD LYS 86 -4.489 -14.739 4.365 647 HD3 LYS 86 3HD LYS 86 -3.199 -15.640 3.568 648 HE2 LYS 86 2HE LYS 86 -2.435 -16.477 5.734 649 HE3 LYS 86 3HE LYS 86 -3.700 -15.551 6.544 650 HZ1 LYS 86 3HZ LYS 86 -4.295 -17.887 6.241 651 HZ2 LYS 86 1HZ LYS 86 -4.182 -17.713 4.564 652 HZ3 LYS 86 2HZ LYS 86 -5.362 -16.864 5.428 653 H PHE 87 H PHE 87 0.787 -13.578 7.078 654 HA PHE 87 HA PHE 87 -0.916 -11.888 8.562 655 HB2 PHE 87 2HB PHE 87 0.439 -13.796 9.490 656 HB3 PHE 87 3HB PHE 87 1.872 -12.784 9.344 657 HD1 PHE 87 HD2 PHE 87 -1.367 -13.160 11.084 658 HD2 PHE 87 HD1 PHE 87 2.361 -11.095 10.949 659 HE1 PHE 87 HE2 PHE 87 -1.821 -12.195 13.300 660 HE2 PHE 87 HE1 PHE 87 1.907 -10.129 13.167 661 HZ PHE 87 HZ PHE 87 -0.189 -10.678 14.340 662 H ALA 88 H ALA 88 2.481 -11.410 7.565 663 HA ALA 88 HA ALA 88 2.728 -8.745 8.454 664 HB1 ALA 88 3HB ALA 88 4.692 -8.629 6.987 665 HB2 ALA 88 1HB ALA 88 4.202 -10.136 6.210 666 HB3 ALA 88 2HB ALA 88 4.665 -10.131 7.911 667 H PHE 89 H PHE 89 1.521 -10.120 5.462 668 HA PHE 89 HA PHE 89 1.346 -7.760 3.927 669 HB2 PHE 89 2HB PHE 89 1.201 -10.065 3.010 670 HB3 PHE 89 3HB PHE 89 -0.371 -10.257 3.778 671 HD1 PHE 89 HD2 PHE 89 1.483 -8.446 1.148 672 HD2 PHE 89 HD1 PHE 89 -2.343 -9.382 2.770 673 HE1 PHE 89 HE2 PHE 89 0.408 -7.539 -0.870 674 HE2 PHE 89 HE1 PHE 89 -3.420 -8.479 0.752 675 HZ PHE 89 HZ PHE 89 -2.046 -7.556 -1.071 676 H ARG 90 H ARG 90 -1.119 -9.436 5.914 677 HA ARG 90 HA ARG 90 -3.175 -7.554 5.464 678 HB2 ARG 90 2HB ARG 90 -2.752 -9.574 7.664 679 HB3 ARG 90 3HB ARG 90 -4.176 -8.546 7.592 680 HG2 ARG 90 2HG ARG 90 -3.317 -10.577 5.538 681 HG3 ARG 90 3HG ARG 90 -4.680 -10.702 6.651 682 HD2 ARG 90 2HD ARG 90 -4.353 -8.792 4.338 683 HD3 ARG 90 3HD ARG 90 -5.543 -10.082 4.506 684 HE ARG 90 HE ARG 90 -5.825 -8.224 6.613 685 HH11 ARG 90 1HH1 ARG 90 -6.471 -8.609 3.252 686 HH12 ARG 90 2HH1 ARG 90 -7.752 -7.454 3.255 687 HH21 ARG 90 1HH2 ARG 90 -7.430 -6.708 6.591 688 HH22 ARG 90 2HH2 ARG 90 -8.257 -6.349 5.116 689 H GLU 91 H GLU 91 -0.829 -7.818 8.164 690 HA GLU 91 HA GLU 91 -1.864 -5.629 9.614 691 HB2 GLU 91 2HB GLU 91 0.146 -5.655 10.908 692 HB3 GLU 91 3HB GLU 91 -0.268 -7.321 10.539 693 HG2 GLU 91 2HG GLU 91 1.724 -7.671 9.628 694 HG3 GLU 91 3HG GLU 91 1.508 -6.323 8.519 695 H ALA 92 H ALA 92 0.631 -5.789 7.088 696 HA ALA 92 HA ALA 92 1.393 -3.072 7.166 697 HB1 ALA 92 3HB ALA 92 2.379 -3.471 4.971 698 HB2 ALA 92 1HB ALA 92 1.484 -4.988 4.832 699 HB3 ALA 92 2HB ALA 92 2.729 -4.806 6.069 700 H VAL 93 H VAL 93 -1.070 -4.761 5.206 701 HA VAL 93 HA VAL 93 -1.991 -2.596 3.704 702 HB VAL 93 HB VAL 93 -3.489 -4.998 4.775 703 HG11 VAL 93 1HG1 VAL 93 -5.107 -3.191 4.406 704 HG12 VAL 93 2HG1 VAL 93 -5.293 -4.461 3.198 705 HG13 VAL 93 3HG1 VAL 93 -4.481 -2.955 2.774 706 HG21 VAL 93 3HG2 VAL 93 -1.714 -5.447 3.136 707 HG22 VAL 93 1HG2 VAL 93 -2.467 -4.316 2.010 708 HG23 VAL 93 2HG2 VAL 93 -3.308 -5.798 2.469 709 H SER 94 H SER 94 -2.850 -3.563 7.020 710 HA SER 94 HA SER 94 -4.847 -1.651 7.501 711 HB2 SER 94 2HB SER 94 -4.376 -3.482 9.084 712 HB3 SER 94 3HB SER 94 -2.829 -2.740 9.489 713 HG SER 94 HG SER 94 -4.010 -1.823 10.993 714 H LYS 95 H LYS 95 -1.311 -1.399 7.947 715 HA LYS 95 HA LYS 95 -1.237 1.277 8.824 716 HB2 LYS 95 2HB LYS 95 0.758 -0.437 7.356 717 HB3 LYS 95 3HB LYS 95 1.101 1.253 7.680 718 HG2 LYS 95 2HG LYS 95 2.143 -0.124 9.355 719 HG3 LYS 95 3HG LYS 95 0.855 0.826 10.096 720 HD2 LYS 95 2HD LYS 95 -0.598 -1.085 10.164 721 HD3 LYS 95 3HD LYS 95 0.529 -2.039 9.197 722 HE2 LYS 95 2HE LYS 95 1.076 -0.965 11.970 723 HE3 LYS 95 3HE LYS 95 0.616 -2.625 11.592 724 HZ1 LYS 95 3HZ LYS 95 3.084 -1.256 10.653 725 HZ2 LYS 95 1HZ LYS 95 2.640 -2.846 10.278 726 HZ3 LYS 95 2HZ LYS 95 2.998 -2.421 11.872 727 H LEU 96 H LEU 96 -1.407 -0.095 5.568 728 HA LEU 96 HA LEU 96 -0.914 2.302 4.142 729 HB2 LEU 96 2HB LEU 96 -0.726 0.066 3.143 730 HB3 LEU 96 3HB LEU 96 -2.456 -0.161 3.302 731 HG LEU 96 HG LEU 96 -2.810 1.737 1.715 732 HD11 LEU 96 1HD1 LEU 96 0.185 1.588 1.359 733 HD12 LEU 96 2HD1 LEU 96 -0.710 2.922 2.086 734 HD13 LEU 96 3HD1 LEU 96 -0.930 2.543 0.379 735 HD21 LEU 96 3HD2 LEU 96 -1.110 -0.527 0.660 736 HD22 LEU 96 1HD2 LEU 96 -2.177 0.499 -0.299 737 HD23 LEU 96 2HD2 LEU 96 -2.852 -0.577 0.924 738 H GLU 97 H GLU 97 -4.020 0.663 4.905 739 HA GLU 97 HA GLU 97 -5.668 2.640 3.756 740 HB2 GLU 97 2HB GLU 97 -7.500 1.633 5.143 741 HB3 GLU 97 3HB GLU 97 -6.609 0.480 4.163 742 HG2 GLU 97 2HG GLU 97 -5.383 -0.287 6.087 743 HG3 GLU 97 3HG GLU 97 -6.119 0.953 7.099 744 H LEU 98 H LEU 98 -4.571 2.235 7.121 745 HA LEU 98 HA LEU 98 -5.945 4.438 8.208 746 HB2 LEU 98 2HB LEU 98 -3.355 3.123 9.037 747 HB3 LEU 98 3HB LEU 98 -4.141 4.381 9.975 748 HG LEU 98 HG LEU 98 -5.349 1.685 9.324 749 HD11 LEU 98 1HD1 LEU 98 -4.209 2.734 11.918 750 HD12 LEU 98 2HD1 LEU 98 -3.483 1.498 10.889 751 HD13 LEU 98 3HD1 LEU 98 -5.021 1.183 11.693 752 HD21 LEU 98 3HD2 LEU 98 -6.351 3.928 11.083 753 HD22 LEU 98 1HD2 LEU 98 -7.087 2.331 10.937 754 HD23 LEU 98 2HD2 LEU 98 -7.048 3.414 9.547 755 H SER 99 H SER 99 -2.680 4.232 6.792 756 HA SER 99 HA SER 99 -1.981 6.926 7.344 757 HB2 SER 99 2HB SER 99 -0.312 5.153 6.872 758 HB3 SER 99 3HB SER 99 -0.844 5.122 5.192 759 HG SER 99 HG SER 99 -0.335 7.535 5.376 760 H LEU 100 H LEU 100 -3.663 5.430 4.642 761 HA LEU 100 HA LEU 100 -3.563 7.645 2.874 762 HB2 LEU 100 2HB LEU 100 -5.459 5.314 3.108 763 HB3 LEU 100 3HB LEU 100 -5.658 6.548 1.880 764 HG LEU 100 HG LEU 100 -3.171 4.848 2.172 765 HD11 LEU 100 1HD1 LEU 100 -5.085 3.451 1.577 766 HD12 LEU 100 2HD1 LEU 100 -3.975 3.617 0.218 767 HD13 LEU 100 3HD1 LEU 100 -5.478 4.540 0.245 768 HD21 LEU 100 3HD2 LEU 100 -2.666 5.682 -0.087 769 HD22 LEU 100 1HD2 LEU 100 -2.758 6.990 1.095 770 HD23 LEU 100 2HD2 LEU 100 -4.098 6.709 -0.019 771 H GLN 101 H GLN 101 -6.056 6.643 5.239 772 HA GLN 101 HA GLN 101 -7.784 8.820 4.628 773 HB2 GLN 101 2HB GLN 101 -9.018 8.173 6.685 774 HB3 GLN 101 3HB GLN 101 -8.752 6.843 5.571 775 HG2 GLN 101 2HG GLN 101 -6.900 6.052 6.969 776 HG3 GLN 101 3HG GLN 101 -7.194 7.375 8.096 777 HE21 GLN 101 1HE2 GLN 101 -9.012 7.301 9.420 778 HE22 GLN 101 2HE2 GLN 101 -9.923 5.852 9.648 779 H GLU 102 H GLU 102 -5.197 8.445 7.029 780 HA GLU 102 HA GLU 102 -5.826 10.916 8.353 781 HB2 GLU 102 2HB GLU 102 -3.700 10.685 9.500 782 HB3 GLU 102 3HB GLU 102 -4.556 9.150 9.503 783 HG2 GLU 102 2HG GLU 102 -3.125 8.321 7.723 784 HG3 GLU 102 3HG GLU 102 -2.301 9.877 7.639 785 H LEU 103 H LEU 103 -3.704 10.005 5.673 786 HA LEU 103 HA LEU 103 -2.241 12.391 5.453 787 HB2 LEU 103 2HB LEU 103 -1.610 10.372 4.246 788 HB3 LEU 103 3HB LEU 103 -3.074 10.458 3.281 789 HG LEU 103 HG LEU 103 -2.288 12.549 2.256 790 HD11 LEU 103 1HD1 LEU 103 0.198 12.136 3.915 791 HD12 LEU 103 2HD1 LEU 103 -0.968 13.451 4.069 792 HD13 LEU 103 3HD1 LEU 103 0.019 13.317 2.616 793 HD21 LEU 103 3HD2 LEU 103 -0.480 11.613 0.912 794 HD22 LEU 103 1HD2 LEU 103 -1.766 10.434 1.170 795 HD23 LEU 103 2HD2 LEU 103 -0.265 10.320 2.091 796 H GLN 104 H GLN 104 -5.335 11.476 3.948 797 HA GLN 104 HA GLN 104 -5.580 13.839 2.401 798 HB2 GLN 104 2HB GLN 104 -7.954 13.163 2.123 799 HB3 GLN 104 3HB GLN 104 -6.811 11.875 1.768 800 HG2 GLN 104 2HG GLN 104 -7.228 10.966 4.054 801 HG3 GLN 104 3HG GLN 104 -8.488 12.184 4.251 802 HE21 GLN 104 1HE2 GLN 104 -7.556 9.275 2.602 803 HE22 GLN 104 2HE2 GLN 104 -9.130 8.872 2.016 804 H VAL 105 H VAL 105 -6.973 12.976 5.585 805 HA VAL 105 HA VAL 105 -8.406 15.427 5.858 806 HB VAL 105 HB VAL 105 -8.802 14.803 8.178 807 HG11 VAL 105 1HG1 VAL 105 -9.937 12.674 7.814 808 HG12 VAL 105 2HG1 VAL 105 -9.005 12.414 6.339 809 HG13 VAL 105 3HG1 VAL 105 -10.156 13.748 6.434 810 HG21 VAL 105 3HG2 VAL 105 -6.840 12.547 7.718 811 HG22 VAL 105 1HG2 VAL 105 -7.842 12.765 9.153 812 HG23 VAL 105 2HG2 VAL 105 -6.589 13.944 8.765 813 H SER 106 H SER 106 -5.200 14.378 6.914 814 HA SER 106 HA SER 106 -4.723 16.975 8.207 815 HB2 SER 106 2HB SER 106 -3.127 14.399 8.225 816 HB3 SER 106 3HB SER 106 -2.574 15.892 8.981 817 HG SER 106 HG SER 106 -3.713 15.323 10.634 818 H SER 107 H SER 107 -4.756 16.332 5.192 819 HA SER 107 HA SER 107 -2.167 16.615 4.123 820 HB2 SER 107 2HB SER 107 -3.290 17.296 2.045 821 HB3 SER 107 3HB SER 107 -4.109 15.920 2.779 822 HG SER 107 HG SER 107 -5.843 17.088 3.013 823 H ALA 108 H ALA 108 -4.669 19.140 4.296 824 HA ALA 108 HA ALA 108 -4.586 21.400 4.514 825 HB1 ALA 108 3HB ALA 108 -3.189 20.928 6.504 826 HB2 ALA 108 1HB ALA 108 -2.771 22.451 5.716 827 HB3 ALA 108 2HB ALA 108 -1.751 21.031 5.488 828 H ALA 109 H ALA 109 -1.267 20.581 3.493 829 HA ALA 109 HA ALA 109 -1.205 22.499 1.374 830 HB1 ALA 109 3HB ALA 109 0.941 21.439 0.803 831 HB2 ALA 109 1HB ALA 109 0.596 20.136 1.946 832 HB3 ALA 109 2HB ALA 109 0.829 21.786 2.529 833 H ALA 110 H ALA 110 -1.203 22.084 -0.895 834 HA ALA 110 HA ALA 110 -2.905 19.921 -1.749 835 HB1 ALA 110 3HB ALA 110 -1.403 21.917 -3.439 836 HB2 ALA 110 1HB ALA 110 -3.020 22.157 -2.777 837 HB3 ALA 110 2HB ALA 110 -2.732 20.882 -3.961 838 H GLY 111 H GLY 111 0.447 20.852 -2.669 839 HA2 GLY 111 2HA GLY 111 1.196 18.033 -2.783 840 HA3 GLY 111 3HA GLY 111 1.194 18.874 -4.323 841 H VAL 112 H VAL 112 2.634 18.848 -1.096 842 HA VAL 112 HA VAL 112 5.005 20.241 -2.177 843 HB VAL 112 HB VAL 112 4.034 20.168 0.698 844 HG11 VAL 112 1HG1 VAL 112 6.467 20.273 0.584 845 HG12 VAL 112 2HG1 VAL 112 5.811 21.815 1.131 846 HG13 VAL 112 3HG1 VAL 112 6.374 21.637 -0.530 847 HG21 VAL 112 3HG2 VAL 112 4.023 22.435 -1.305 848 HG22 VAL 112 1HG2 VAL 112 3.574 22.565 0.397 849 HG23 VAL 112 2HG2 VAL 112 2.608 21.575 -0.696 850 HA PRO 113 HA PRO 113 7.043 16.316 -1.636 851 HB2 PRO 113 2HB PRO 113 9.644 17.161 -1.745 852 HB3 PRO 113 3HB PRO 113 8.607 17.013 -3.169 853 HG2 PRO 113 2HG PRO 113 9.267 19.456 -1.556 854 HG3 PRO 113 3HG PRO 113 9.218 19.263 -3.320 855 HD2 PRO 113 2HD PRO 113 7.187 20.401 -1.969 856 HD3 PRO 113 3HD PRO 113 6.896 19.380 -3.393 857 H GLY 114 H GLY 114 7.136 15.254 0.236 858 HA2 GLY 114 2HA GLY 114 7.641 14.668 2.396 859 HA3 GLY 114 3HA GLY 114 9.111 15.597 2.174 860 H THR 115 H THR 115 5.914 17.080 2.042 861 HA THR 115 HA THR 115 6.590 18.924 4.129 862 HB THR 115 HB THR 115 5.131 19.670 2.333 863 HG1 THR 115 HG1 THR 115 3.860 19.598 4.894 864 HG21 THR 115 3HG2 THR 115 3.114 17.684 3.405 865 HG22 THR 115 1HG2 THR 115 3.953 17.579 1.853 866 HG23 THR 115 2HG2 THR 115 2.806 18.886 2.150 867 H ASN 116 H ASN 116 4.441 16.110 3.971 868 HA ASN 116 HA ASN 116 3.936 16.386 6.867 869 HB2 ASN 116 2HB ASN 116 2.205 15.070 4.753 870 HB3 ASN 116 3HB ASN 116 1.842 15.115 6.477 871 HD21 ASN 116 1HD2 ASN 116 0.301 16.176 4.269 872 HD22 ASN 116 2HD2 ASN 116 0.115 17.862 4.578 873 HA PRO 117 HA PRO 117 6.442 12.687 7.397 874 HB2 PRO 117 2HB PRO 117 4.692 12.451 9.816 875 HB3 PRO 117 3HB PRO 117 6.453 12.344 9.684 876 HG2 PRO 117 2HG PRO 117 5.333 14.543 10.642 877 HG3 PRO 117 3HG PRO 117 6.716 14.652 9.536 878 HD2 PRO 117 2HD PRO 117 3.809 15.133 8.991 879 HD3 PRO 117 3HD PRO 117 5.233 15.991 8.364 880 H VAL 118 H VAL 118 2.942 12.736 7.397 881 HA VAL 118 HA VAL 118 2.388 9.995 7.475 882 HB VAL 118 HB VAL 118 0.895 12.053 5.837 883 HG11 VAL 118 1HG1 VAL 118 0.238 9.772 5.326 884 HG12 VAL 118 2HG1 VAL 118 -1.042 10.572 6.240 885 HG13 VAL 118 3HG1 VAL 118 0.028 9.423 7.043 886 HG21 VAL 118 3HG2 VAL 118 -0.505 12.412 7.806 887 HG22 VAL 118 1HG2 VAL 118 1.173 12.827 8.153 888 HG23 VAL 118 2HG2 VAL 118 0.500 11.304 8.740 889 H LEU 119 H LEU 119 3.498 12.029 4.819 890 HA LEU 119 HA LEU 119 3.224 10.215 2.684 891 HB2 LEU 119 2HB LEU 119 5.428 12.245 3.128 892 HB3 LEU 119 3HB LEU 119 5.009 11.507 1.594 893 HG LEU 119 HG LEU 119 3.205 13.347 3.179 894 HD11 LEU 119 1HD1 LEU 119 5.145 14.528 2.271 895 HD12 LEU 119 2HD1 LEU 119 3.660 14.994 1.443 896 HD13 LEU 119 3HD1 LEU 119 4.788 13.884 0.666 897 HD21 LEU 119 3HD2 LEU 119 1.956 11.729 1.846 898 HD22 LEU 119 1HD2 LEU 119 2.890 12.171 0.416 899 HD23 LEU 119 2HD2 LEU 119 1.812 13.349 1.165 900 H ASN 120 H ASN 120 5.841 10.711 5.014 901 HA ASN 120 HA ASN 120 7.606 8.714 4.092 902 HB2 ASN 120 2HB ASN 120 7.244 9.736 6.923 903 HB3 ASN 120 3HB ASN 120 8.679 8.946 6.275 904 HD21 ASN 120 1HD2 ASN 120 10.091 10.130 5.006 905 HD22 ASN 120 2HD2 ASN 120 9.955 11.842 4.802 906 H ASN 121 H ASN 121 4.858 8.611 6.311 907 HA ASN 121 HA ASN 121 5.184 5.952 7.215 908 HB2 ASN 121 2HB ASN 121 2.629 7.556 6.915 909 HB3 ASN 121 3HB ASN 121 2.793 6.065 7.840 910 HD21 ASN 121 1HD2 ASN 121 1.945 8.609 8.818 911 HD22 ASN 121 2HD2 ASN 121 3.081 9.095 10.022 912 H LEU 122 H LEU 122 3.105 7.256 4.589 913 HA LEU 122 HA LEU 122 2.221 4.834 3.534 914 HB2 LEU 122 2HB LEU 122 2.736 7.508 2.271 915 HB3 LEU 122 3HB LEU 122 2.258 6.146 1.277 916 HG LEU 122 HG LEU 122 0.652 7.343 3.542 917 HD11 LEU 122 1HD1 LEU 122 0.208 7.346 0.554 918 HD12 LEU 122 2HD1 LEU 122 0.682 8.731 1.539 919 HD13 LEU 122 3HD1 LEU 122 -0.902 7.992 1.764 920 HD21 LEU 122 3HD2 LEU 122 0.301 4.942 3.446 921 HD22 LEU 122 1HD2 LEU 122 0.025 5.026 1.705 922 HD23 LEU 122 2HD2 LEU 122 -1.118 5.781 2.819 923 H LEU 123 H LEU 123 5.202 6.617 2.766 924 HA LEU 123 HA LEU 123 6.237 4.977 0.783 925 HB2 LEU 123 2HB LEU 123 7.195 7.140 1.539 926 HB3 LEU 123 3HB LEU 123 7.776 6.354 2.994 927 HG LEU 123 HG LEU 123 9.257 4.925 1.629 928 HD11 LEU 123 1HD1 LEU 123 9.587 5.413 -0.746 929 HD12 LEU 123 2HD1 LEU 123 8.260 6.575 -0.698 930 HD13 LEU 123 3HD1 LEU 123 7.943 4.860 -0.429 931 HD21 LEU 123 3HD2 LEU 123 10.113 7.022 2.542 932 HD22 LEU 123 1HD2 LEU 123 9.572 7.886 1.099 933 HD23 LEU 123 2HD2 LEU 123 10.846 6.669 0.977 934 H SER 124 H SER 124 6.683 4.679 4.306 935 HA SER 124 HA SER 124 8.156 2.287 4.342 936 HB2 SER 124 2HB SER 124 7.995 3.606 6.349 937 HB3 SER 124 3HB SER 124 6.239 3.459 6.372 938 HG SER 124 HG SER 124 6.389 1.526 7.223 939 H CYS 125 H CYS 125 4.635 2.787 4.567 940 HA CYS 125 HA CYS 125 3.898 0.100 4.927 941 HB2 CYS 125 2HB CYS 125 2.301 2.318 3.623 942 HB3 CYS 125 3HB CYS 125 1.644 0.813 4.260 943 HG CYS 125 HG CYS 125 1.166 3.139 5.925 944 H VAL 126 H VAL 126 4.000 2.019 1.918 945 HA VAL 126 HA VAL 126 3.133 -0.012 0.177 946 HB VAL 126 HB VAL 126 4.906 2.373 -0.414 947 HG11 VAL 126 1HG1 VAL 126 3.350 0.636 -2.340 948 HG12 VAL 126 2HG1 VAL 126 5.105 0.663 -2.165 949 HG13 VAL 126 3HG1 VAL 126 4.256 2.092 -2.753 950 HG21 VAL 126 3HG2 VAL 126 1.921 2.000 -0.719 951 HG22 VAL 126 1HG2 VAL 126 2.833 3.438 -1.183 952 HG23 VAL 126 2HG2 VAL 126 2.719 2.973 0.516 953 H GLN 127 H GLN 127 6.472 1.077 0.897 954 HA GLN 127 HA GLN 127 7.778 -0.833 -0.700 955 HB2 GLN 127 2HB GLN 127 8.717 0.661 1.757 956 HB3 GLN 127 3HB GLN 127 9.774 -0.342 0.770 957 HG2 GLN 127 2HG GLN 127 9.356 1.081 -1.160 958 HG3 GLN 127 3HG GLN 127 8.243 2.065 -0.213 959 HE21 GLN 127 1HE2 GLN 127 10.741 2.756 -1.618 960 HE22 GLN 127 2HE2 GLN 127 11.748 3.495 -0.423 961 H GLU 128 H GLU 128 6.528 -1.041 2.580 962 HA GLU 128 HA GLU 128 7.770 -3.521 3.255 963 HB2 GLU 128 2HB GLU 128 6.809 -1.913 4.915 964 HB3 GLU 128 3HB GLU 128 5.202 -2.359 4.365 965 HG2 GLU 128 2HG GLU 128 5.708 -3.528 6.405 966 HG3 GLU 128 3HG GLU 128 5.629 -4.685 5.076 967 H ILE 129 H ILE 129 4.405 -2.766 2.251 968 HA ILE 129 HA ILE 129 3.443 -5.371 2.035 969 HB ILE 129 HB ILE 129 2.702 -2.994 0.303 970 HG12 ILE 129 2HG1 ILE 129 1.430 -4.063 2.840 971 HG13 ILE 129 3HG1 ILE 129 2.406 -2.605 2.727 972 HG21 ILE 129 1HG2 ILE 129 1.977 -5.102 -0.710 973 HG22 ILE 129 2HG2 ILE 129 0.596 -4.174 -0.127 974 HG23 ILE 129 3HG2 ILE 129 1.177 -5.561 0.793 975 HD11 ILE 129 3HD1 ILE 129 -0.253 -3.072 1.397 976 HD12 ILE 129 1HD1 ILE 129 0.729 -1.614 1.241 977 HD13 ILE 129 2HD1 ILE 129 0.058 -2.061 2.810 978 H SER 130 H SER 130 4.930 -3.368 -0.517 979 HA SER 130 HA SER 130 4.898 -5.169 -2.626 980 HB2 SER 130 2HB SER 130 5.624 -2.828 -2.873 981 HB3 SER 130 3HB SER 130 7.086 -3.177 -1.953 982 HG SER 130 HG SER 130 7.485 -3.238 -4.194 983 H ASP 131 H ASP 131 7.499 -4.735 -0.218 984 HA ASP 131 HA ASP 131 9.198 -6.778 -1.032 985 HB2 ASP 131 2HB ASP 131 9.792 -5.081 0.619 986 HB3 ASP 131 3HB ASP 131 8.635 -5.747 1.761 987 H VAL 132 H VAL 132 6.563 -6.975 1.391 988 HA VAL 132 HA VAL 132 6.780 -9.660 2.073 989 HB VAL 132 HB VAL 132 4.240 -8.024 1.829 990 HG11 VAL 132 1HG1 VAL 132 4.744 -10.592 3.347 991 HG12 VAL 132 2HG1 VAL 132 3.725 -10.407 1.921 992 HG13 VAL 132 3HG1 VAL 132 3.273 -9.621 3.433 993 HG21 VAL 132 3HG2 VAL 132 6.029 -8.533 4.216 994 HG22 VAL 132 1HG2 VAL 132 4.522 -7.615 4.229 995 HG23 VAL 132 2HG2 VAL 132 5.911 -7.019 3.321 996 H VAL 133 H VAL 133 5.091 -8.215 -0.689 997 HA VAL 133 HA VAL 133 3.987 -10.645 -1.689 998 HB VAL 133 HB VAL 133 4.580 -8.056 -3.157 999 HG11 VAL 133 1HG1 VAL 133 4.249 -9.891 -4.718 1000 HG12 VAL 133 2HG1 VAL 133 2.859 -8.805 -4.754 1001 HG13 VAL 133 3HG1 VAL 133 2.755 -10.348 -3.901 1002 HG21 VAL 133 3HG2 VAL 133 2.241 -7.495 -2.743 1003 HG22 VAL 133 1HG2 VAL 133 3.101 -7.743 -1.222 1004 HG23 VAL 133 2HG2 VAL 133 2.025 -8.996 -1.840 1005 H GLN 134 H GLN 134 7.108 -9.094 -2.053 1006 HA GLN 134 HA GLN 134 7.880 -10.730 -4.337 1007 HB2 GLN 134 2HB GLN 134 9.542 -8.761 -2.742 1008 HB3 GLN 134 3HB GLN 134 9.972 -9.472 -4.292 1009 HG2 GLN 134 2HG GLN 134 8.002 -8.341 -5.296 1010 HG3 GLN 134 3HG GLN 134 7.714 -7.556 -3.746 1011 HE21 GLN 134 1HE2 GLN 134 8.023 -5.506 -4.506 1012 HE22 GLN 134 2HE2 GLN 134 9.566 -4.905 -4.998 1013 H ARG 135 H ARG 135 7.494 -11.692 -1.347 1014 HA ARG 135 HA ARG 135 10.107 -13.008 -1.009 1015 HB2 ARG 135 2HB ARG 135 7.760 -12.836 0.898 1016 HB3 ARG 135 3HB ARG 135 9.306 -13.599 1.252 1017 HG2 ARG 135 2HG ARG 135 10.448 -11.480 1.051 1018 HG3 ARG 135 3HG ARG 135 8.954 -10.688 0.560 1019 HD2 ARG 135 2HD ARG 135 7.980 -11.310 2.780 1020 HD3 ARG 135 3HD ARG 135 9.574 -11.901 3.253 1021 HE ARG 135 HE ARG 135 10.028 -9.346 2.418 1022 HH11 ARG 135 1HH1 ARG 135 7.984 -10.796 4.796 1023 HH12 ARG 135 2HH1 ARG 135 7.949 -9.373 5.775 1024 HH21 ARG 135 1HH2 ARG 135 9.993 -7.556 3.718 1025 HH22 ARG 135 2HH2 ARG 135 9.054 -7.566 5.173 Start of MODEL 14 1 H1 MET 1 1H MET 1 -26.549 -9.338 -46.292 2 H2 MET 1 2H MET 1 -25.426 -10.514 -45.831 3 H3 MET 1 3H MET 1 -24.940 -8.902 -46.010 4 HA MET 1 HA MET 1 -26.289 -8.220 -44.159 5 HB2 MET 1 2HB MET 1 -28.019 -10.019 -44.605 6 HB3 MET 1 3HB MET 1 -26.944 -11.154 -43.803 7 HG2 MET 1 2HG MET 1 -27.069 -9.689 -41.770 8 HG3 MET 1 3HG MET 1 -28.324 -8.767 -42.598 9 HE1 MET 1 3HE MET 1 -30.611 -9.935 -43.494 10 HE2 MET 1 1HE MET 1 -31.052 -11.601 -43.118 11 HE3 MET 1 2HE MET 1 -29.713 -11.270 -44.216 12 H GLY 2 H GLY 2 -23.641 -9.863 -44.947 13 HA2 GLY 2 2HA GLY 2 -22.827 -10.999 -42.433 14 HA3 GLY 2 3HA GLY 2 -21.839 -10.817 -43.868 15 H HIS 3 H HIS 3 -23.034 -9.162 -40.989 16 HA HIS 3 HA HIS 3 -20.470 -7.732 -40.868 17 HB2 HIS 3 2HB HIS 3 -23.190 -6.438 -40.658 18 HB3 HIS 3 3HB HIS 3 -21.759 -5.707 -39.938 19 HD1 HIS 3 HD1 HIS 3 -23.670 -5.008 -42.626 20 HD2 HIS 3 HD2 HIS 3 -19.640 -5.982 -42.356 21 HE1 HIS 3 HE1 HIS 3 -22.607 -4.065 -44.695 22 HE2 HIS 3 HE2 HIS 3 -20.200 -4.779 -44.571 23 H HIS 4 H HIS 4 -22.449 -9.842 -39.416 24 HA HIS 4 HA HIS 4 -22.713 -10.691 -37.332 25 HB2 HIS 4 2HB HIS 4 -20.310 -8.959 -36.710 26 HB3 HIS 4 3HB HIS 4 -20.981 -10.154 -35.607 27 HD1 HIS 4 HD1 HIS 4 -19.814 -12.324 -35.689 28 HD2 HIS 4 HD2 HIS 4 -19.561 -10.309 -39.316 29 HE1 HIS 4 HE1 HIS 4 -18.396 -13.774 -37.170 30 HE2 HIS 4 HE2 HIS 4 -18.148 -12.476 -39.305 31 H HIS 5 H HIS 5 -21.602 -7.454 -36.327 32 HA HIS 5 HA HIS 5 -24.132 -6.362 -35.788 33 HB2 HIS 5 2HB HIS 5 -24.079 -6.478 -33.270 34 HB3 HIS 5 3HB HIS 5 -24.426 -8.007 -34.065 35 HD1 HIS 5 HD1 HIS 5 -23.126 -9.926 -33.236 36 HD2 HIS 5 HD2 HIS 5 -21.196 -6.328 -32.473 37 HE1 HIS 5 HE1 HIS 5 -21.099 -10.526 -31.890 38 HE2 HIS 5 HE2 HIS 5 -19.847 -8.362 -31.622 39 H HIS 6 H HIS 6 -23.950 -4.430 -34.231 40 HA HIS 6 HA HIS 6 -21.379 -3.096 -34.767 41 HB2 HIS 6 2HB HIS 6 -24.062 -1.901 -34.020 42 HB3 HIS 6 3HB HIS 6 -22.606 -0.994 -34.423 43 HD1 HIS 6 HD1 HIS 6 -21.799 -1.141 -36.952 44 HD2 HIS 6 HD2 HIS 6 -25.541 -2.779 -36.180 45 HE1 HIS 6 HE1 HIS 6 -22.877 -1.445 -39.197 46 HE2 HIS 6 HE2 HIS 6 -25.184 -2.307 -38.694 47 H HIS 7 H HIS 7 -20.516 -1.619 -33.074 48 HA HIS 7 HA HIS 7 -20.642 -3.038 -30.509 49 HB2 HIS 7 2HB HIS 7 -18.578 -1.100 -31.576 50 HB3 HIS 7 3HB HIS 7 -18.490 -1.914 -30.016 51 HD1 HIS 7 HD1 HIS 7 -17.554 -2.295 -33.498 52 HD2 HIS 7 HD2 HIS 7 -18.330 -4.842 -30.311 53 HE1 HIS 7 HE1 HIS 7 -16.580 -4.509 -34.157 54 HE2 HIS 7 HE2 HIS 7 -17.242 -6.077 -32.308 55 H HIS 8 H HIS 8 -22.290 -2.201 -29.348 56 HA HIS 8 HA HIS 8 -21.990 0.615 -28.502 57 HB2 HIS 8 2HB HIS 8 -24.144 0.326 -29.599 58 HB3 HIS 8 3HB HIS 8 -24.503 -1.081 -28.601 59 HD1 HIS 8 HD1 HIS 8 -25.260 -0.647 -26.167 60 HD2 HIS 8 HD2 HIS 8 -24.524 2.817 -28.338 61 HE1 HIS 8 HE1 HIS 8 -26.185 1.223 -24.780 62 HE2 HIS 8 HE2 HIS 8 -25.906 3.275 -26.198 63 H SER 9 H SER 9 -20.795 0.492 -26.672 64 HA SER 9 HA SER 9 -21.239 -1.705 -24.778 65 HB2 SER 9 2HB SER 9 -18.913 -1.137 -25.458 66 HB3 SER 9 3HB SER 9 -19.109 0.456 -24.730 67 HG SER 9 HG SER 9 -18.370 -1.799 -23.556 68 H HIS 10 H HIS 10 -20.603 -0.704 -22.375 69 HA HIS 10 HA HIS 10 -21.985 1.717 -21.716 70 HB2 HIS 10 2HB HIS 10 -23.837 0.778 -20.464 71 HB3 HIS 10 3HB HIS 10 -23.907 0.170 -22.113 72 HD1 HIS 10 HD1 HIS 10 -23.999 -0.930 -18.678 73 HD2 HIS 10 HD2 HIS 10 -22.813 -2.589 -22.296 74 HE1 HIS 10 HE1 HIS 10 -23.900 -3.408 -18.281 75 HE2 HIS 10 HE2 HIS 10 -23.048 -4.372 -20.442 76 H MET 11 H MET 11 -21.303 2.476 -19.734 77 HA MET 11 HA MET 11 -19.461 0.753 -18.242 78 HB2 MET 11 2HB MET 11 -18.805 2.858 -17.069 79 HB3 MET 11 3HB MET 11 -18.545 2.893 -18.804 80 HG2 MET 11 2HG MET 11 -20.651 4.180 -19.049 81 HG3 MET 11 3HG MET 11 -20.783 4.227 -17.291 82 HE1 MET 11 3HE MET 11 -19.041 5.494 -15.704 83 HE2 MET 11 1HE MET 11 -17.602 6.314 -16.307 84 HE3 MET 11 2HE MET 11 -17.726 4.559 -16.417 85 H ALA 12 H ALA 12 -20.222 -0.389 -16.592 86 HA ALA 12 HA ALA 12 -22.764 0.274 -15.362 87 HB1 ALA 12 3HB ALA 12 -22.535 -1.875 -14.219 88 HB2 ALA 12 1HB ALA 12 -20.888 -2.035 -14.833 89 HB3 ALA 12 2HB ALA 12 -22.252 -2.044 -15.951 90 H ASN 13 H ASN 13 -23.089 0.439 -13.075 91 HA ASN 13 HA ASN 13 -21.313 2.218 -11.780 92 HB2 ASN 13 2HB ASN 13 -23.518 0.599 -10.484 93 HB3 ASN 13 3HB ASN 13 -22.827 2.109 -9.898 94 HD21 ASN 13 1HD2 ASN 13 -23.273 4.036 -11.067 95 HD22 ASN 13 2HD2 ASN 13 -24.678 4.152 -12.066 96 H GLY 14 H GLY 14 -20.266 1.894 -9.665 97 HA2 GLY 14 2HA GLY 14 -19.605 -0.825 -8.892 98 HA3 GLY 14 3HA GLY 14 -18.284 0.054 -9.640 99 H ALA 15 H ALA 15 -18.829 2.612 -8.524 100 HA ALA 15 HA ALA 15 -17.262 2.436 -6.211 101 HB1 ALA 15 3HB ALA 15 -17.647 4.824 -5.959 102 HB2 ALA 15 1HB ALA 15 -19.000 4.744 -7.089 103 HB3 ALA 15 2HB ALA 15 -17.359 4.421 -7.652 104 H ALA 16 H ALA 16 -17.824 3.416 -4.071 105 HA ALA 16 HA ALA 16 -18.930 3.358 -2.091 106 HB1 ALA 16 3HB ALA 16 -21.335 3.750 -2.053 107 HB2 ALA 16 1HB ALA 16 -21.443 3.366 -3.771 108 HB3 ALA 16 2HB ALA 16 -20.560 4.798 -3.241 109 H GLY 17 H GLY 17 -18.292 0.842 -3.636 110 HA2 GLY 17 2HA GLY 17 -18.360 -1.400 -3.065 111 HA3 GLY 17 3HA GLY 17 -19.508 -1.012 -1.795 112 H THR 18 H THR 18 -20.566 0.224 -4.761 113 HA THR 18 HA THR 18 -22.911 -1.288 -4.806 114 HB THR 18 HB THR 18 -21.598 0.232 -7.076 115 HG1 THR 18 HG1 THR 18 -22.223 1.747 -5.678 116 HG21 THR 18 3HG2 THR 18 -23.185 -1.396 -8.003 117 HG22 THR 18 1HG2 THR 18 -23.811 0.248 -8.148 118 HG23 THR 18 2HG2 THR 18 -24.432 -0.824 -6.894 119 H LYS 19 H LYS 19 -19.885 -1.846 -6.600 120 HA LYS 19 HA LYS 19 -21.012 -4.034 -8.101 121 HB2 LYS 19 2HB LYS 19 -18.764 -4.351 -9.005 122 HB3 LYS 19 3HB LYS 19 -19.252 -2.667 -9.087 123 HG2 LYS 19 2HG LYS 19 -17.902 -2.281 -6.990 124 HG3 LYS 19 3HG LYS 19 -17.273 -3.920 -7.190 125 HD2 LYS 19 2HD LYS 19 -16.470 -3.293 -9.457 126 HD3 LYS 19 3HD LYS 19 -17.030 -1.647 -9.173 127 HE2 LYS 19 2HE LYS 19 -14.692 -1.663 -8.749 128 HE3 LYS 19 3HE LYS 19 -15.489 -1.575 -7.178 129 HZ1 LYS 19 3HZ LYS 19 -15.072 -3.888 -6.826 130 HZ2 LYS 19 1HZ LYS 19 -13.615 -3.160 -7.275 131 HZ3 LYS 19 2HZ LYS 19 -14.475 -4.086 -8.395 132 H VAL 20 H VAL 20 -19.740 -3.763 -4.965 133 HA VAL 20 HA VAL 20 -19.777 -6.691 -4.700 134 HB VAL 20 HB VAL 20 -17.633 -4.979 -3.398 135 HG11 VAL 20 1HG1 VAL 20 -18.277 -6.913 -2.047 136 HG12 VAL 20 2HG1 VAL 20 -16.653 -7.119 -2.702 137 HG13 VAL 20 3HG1 VAL 20 -18.011 -7.980 -3.426 138 HG21 VAL 20 3HG2 VAL 20 -17.215 -5.182 -5.805 139 HG22 VAL 20 1HG2 VAL 20 -17.357 -6.936 -5.691 140 HG23 VAL 20 2HG2 VAL 20 -16.033 -6.103 -4.876 141 H ALA 21 H ALA 21 -21.963 -5.959 -3.936 142 HA ALA 21 HA ALA 21 -21.865 -5.476 -1.026 143 HB1 ALA 21 3HB ALA 21 -22.519 -3.377 -2.101 144 HB2 ALA 21 1HB ALA 21 -23.856 -4.057 -1.171 145 HB3 ALA 21 2HB ALA 21 -23.839 -4.203 -2.929 146 H LEU 22 H LEU 22 -24.253 -6.251 -3.585 147 HA LEU 22 HA LEU 22 -25.728 -8.034 -1.884 148 HB2 LEU 22 2HB LEU 22 -25.878 -7.681 -4.886 149 HB3 LEU 22 3HB LEU 22 -27.061 -8.510 -3.890 150 HG LEU 22 HG LEU 22 -26.426 -5.554 -3.818 151 HD11 LEU 22 1HD1 LEU 22 -28.701 -5.278 -4.663 152 HD12 LEU 22 2HD1 LEU 22 -28.886 -7.030 -4.757 153 HD13 LEU 22 3HD1 LEU 22 -27.706 -6.211 -5.781 154 HD21 LEU 22 3HD2 LEU 22 -28.292 -5.383 -2.231 155 HD22 LEU 22 1HD2 LEU 22 -26.972 -6.357 -1.586 156 HD23 LEU 22 2HD2 LEU 22 -28.426 -7.142 -2.202 157 H ARG 23 H ARG 23 -22.785 -8.457 -3.153 158 HA ARG 23 HA ARG 23 -23.039 -11.367 -3.139 159 HB2 ARG 23 2HB ARG 23 -21.424 -11.561 -5.046 160 HB3 ARG 23 3HB ARG 23 -22.995 -10.927 -5.503 161 HG2 ARG 23 2HG ARG 23 -20.695 -9.084 -4.924 162 HG3 ARG 23 3HG ARG 23 -20.879 -9.848 -6.501 163 HD2 ARG 23 2HD ARG 23 -23.134 -8.303 -5.243 164 HD3 ARG 23 3HD ARG 23 -21.864 -7.489 -6.150 165 HE ARG 23 HE ARG 23 -22.638 -8.486 -8.115 166 HH11 ARG 23 1HH1 ARG 23 -24.502 -9.575 -5.424 167 HH12 ARG 23 2HH1 ARG 23 -25.826 -10.080 -6.409 168 HH21 ARG 23 1HH2 ARG 23 -24.333 -9.155 -9.360 169 HH22 ARG 23 2HH2 ARG 23 -25.715 -9.881 -8.615 170 H LYS 24 H LYS 24 -22.094 -11.464 -1.142 171 HA LYS 24 HA LYS 24 -19.691 -10.002 -0.496 172 HB2 LYS 24 2HB LYS 24 -21.121 -12.187 1.039 173 HB3 LYS 24 3HB LYS 24 -19.845 -11.159 1.676 174 HG2 LYS 24 2HG LYS 24 -22.539 -10.193 0.718 175 HG3 LYS 24 3HG LYS 24 -22.081 -10.445 2.402 176 HD2 LYS 24 2HD LYS 24 -20.739 -8.504 0.507 177 HD3 LYS 24 3HD LYS 24 -21.949 -8.068 1.715 178 HE2 LYS 24 2HE LYS 24 -20.438 -8.952 3.480 179 HE3 LYS 24 3HE LYS 24 -19.220 -9.257 2.241 180 HZ1 LYS 24 3HZ LYS 24 -19.113 -6.911 1.774 181 HZ2 LYS 24 1HZ LYS 24 -18.867 -7.160 3.429 182 HZ3 LYS 24 2HZ LYS 24 -20.358 -6.587 2.874 183 H THR 25 H THR 25 -20.490 -13.372 -1.223 184 HA THR 25 HA THR 25 -17.686 -14.180 -1.015 185 HB THR 25 HB THR 25 -19.461 -15.692 -0.146 186 HG1 THR 25 HG1 THR 25 -18.474 -17.516 -0.917 187 HG21 THR 25 3HG2 THR 25 -21.197 -15.225 -1.834 188 HG22 THR 25 1HG2 THR 25 -20.864 -16.953 -1.701 189 HG23 THR 25 2HG2 THR 25 -20.215 -16.032 -3.056 190 H LYS 26 H LYS 26 -16.563 -15.206 -2.791 191 HA LYS 26 HA LYS 26 -17.146 -13.900 -5.328 192 HB2 LYS 26 2HB LYS 26 -14.840 -15.737 -4.696 193 HB3 LYS 26 3HB LYS 26 -14.951 -14.591 -6.018 194 HG2 LYS 26 2HG LYS 26 -15.026 -12.749 -4.330 195 HG3 LYS 26 3HG LYS 26 -14.706 -13.949 -3.080 196 HD2 LYS 26 2HD LYS 26 -12.913 -13.289 -5.422 197 HD3 LYS 26 3HD LYS 26 -12.659 -12.789 -3.754 198 HE2 LYS 26 2HE LYS 26 -12.702 -15.646 -4.741 199 HE3 LYS 26 3HE LYS 26 -11.252 -14.705 -4.395 200 HZ1 LYS 26 3HZ LYS 26 -11.655 -16.033 -2.517 201 HZ2 LYS 26 1HZ LYS 26 -13.303 -15.644 -2.477 202 HZ3 LYS 26 2HZ LYS 26 -12.150 -14.476 -2.076 203 H GLN 27 H GLN 27 -17.664 -14.914 -7.241 204 HA GLN 27 HA GLN 27 -19.003 -17.479 -6.861 205 HB2 GLN 27 2HB GLN 27 -20.110 -16.954 -9.057 206 HB3 GLN 27 3HB GLN 27 -20.435 -15.815 -7.761 207 HG2 GLN 27 2HG GLN 27 -18.926 -14.204 -8.711 208 HG3 GLN 27 3HG GLN 27 -18.383 -15.359 -9.926 209 HE21 GLN 27 1HE2 GLN 27 -20.994 -13.280 -8.922 210 HE22 GLN 27 2HE2 GLN 27 -21.853 -13.311 -10.419 211 H ALA 28 H ALA 28 -16.856 -16.072 -9.375 212 HA ALA 28 HA ALA 28 -15.577 -18.613 -9.806 213 HB1 ALA 28 3HB ALA 28 -17.314 -17.503 -12.020 214 HB2 ALA 28 1HB ALA 28 -17.658 -18.953 -11.073 215 HB3 ALA 28 2HB ALA 28 -16.251 -18.906 -12.135 216 H ALA 29 H ALA 29 -13.625 -18.399 -10.851 217 HA ALA 29 HA ALA 29 -12.193 -16.090 -10.626 218 HB1 ALA 29 3HB ALA 29 -11.197 -18.290 -10.951 219 HB2 ALA 29 1HB ALA 29 -10.512 -17.115 -12.072 220 HB3 ALA 29 2HB ALA 29 -11.705 -18.284 -12.639 221 H GLU 30 H GLU 30 -13.970 -17.128 -13.519 222 HA GLU 30 HA GLU 30 -13.110 -15.327 -15.420 223 HB2 GLU 30 2HB GLU 30 -15.949 -16.274 -14.958 224 HB3 GLU 30 3HB GLU 30 -15.350 -15.563 -16.450 225 HG2 GLU 30 2HG GLU 30 -14.235 -18.089 -15.256 226 HG3 GLU 30 3HG GLU 30 -15.555 -18.067 -16.419 227 H LYS 31 H LYS 31 -15.160 -14.663 -12.666 228 HA LYS 31 HA LYS 31 -15.593 -11.893 -13.605 229 HB2 LYS 31 2HB LYS 31 -17.624 -13.396 -13.540 230 HB3 LYS 31 3HB LYS 31 -17.420 -13.488 -11.798 231 HG2 LYS 31 2HG LYS 31 -19.131 -11.876 -12.348 232 HG3 LYS 31 3HG LYS 31 -17.740 -11.052 -11.644 233 HD2 LYS 31 2HD LYS 31 -18.656 -9.827 -13.567 234 HD3 LYS 31 3HD LYS 31 -16.999 -10.357 -13.861 235 HE2 LYS 31 2HE LYS 31 -18.441 -10.685 -15.824 236 HE3 LYS 31 3HE LYS 31 -17.805 -12.212 -15.215 237 HZ1 LYS 31 3HZ LYS 31 -20.526 -11.152 -14.661 238 HZ2 LYS 31 1HZ LYS 31 -19.915 -12.646 -14.158 239 HZ3 LYS 31 2HZ LYS 31 -20.161 -12.343 -15.802 240 H ILE 32 H ILE 32 -13.793 -13.580 -11.493 241 HA ILE 32 HA ILE 32 -14.208 -11.943 -9.117 242 HB ILE 32 HB ILE 32 -12.265 -14.191 -9.689 243 HG12 ILE 32 2HG1 ILE 32 -14.651 -14.035 -7.819 244 HG13 ILE 32 3HG1 ILE 32 -14.642 -14.839 -9.384 245 HG21 ILE 32 1HG2 ILE 32 -11.207 -12.631 -8.154 246 HG22 ILE 32 2HG2 ILE 32 -11.673 -14.098 -7.299 247 HG23 ILE 32 3HG2 ILE 32 -12.639 -12.631 -7.129 248 HD11 ILE 32 3HD1 ILE 32 -14.409 -16.446 -7.599 249 HD12 ILE 32 1HD1 ILE 32 -12.991 -15.597 -6.983 250 HD13 ILE 32 2HD1 ILE 32 -12.930 -16.392 -8.557 251 H SER 33 H SER 33 -13.190 -10.074 -8.743 252 HA SER 33 HA SER 33 -11.158 -8.953 -10.332 253 HB2 SER 33 2HB SER 33 -10.915 -7.284 -8.538 254 HB3 SER 33 3HB SER 33 -12.619 -7.612 -8.857 255 HG SER 33 HG SER 33 -11.661 -7.616 -6.551 256 H ALA 34 H ALA 34 -10.969 -10.631 -7.208 257 HA ALA 34 HA ALA 34 -8.256 -10.397 -6.676 258 HB1 ALA 34 3HB ALA 34 -9.914 -11.260 -5.084 259 HB2 ALA 34 1HB ALA 34 -8.507 -12.319 -5.214 260 HB3 ALA 34 2HB ALA 34 -10.018 -12.755 -6.014 261 H ASP 35 H ASP 35 -9.761 -12.332 -9.119 262 HA ASP 35 HA ASP 35 -7.516 -14.128 -9.454 263 HB2 ASP 35 2HB ASP 35 -9.931 -14.742 -9.933 264 HB3 ASP 35 3HB ASP 35 -9.842 -13.696 -11.345 265 H LYS 36 H LYS 36 -8.709 -11.140 -10.832 266 HA LYS 36 HA LYS 36 -6.781 -10.985 -12.953 267 HB2 LYS 36 2HB LYS 36 -8.947 -9.779 -13.005 268 HB3 LYS 36 3HB LYS 36 -8.436 -8.801 -11.642 269 HG2 LYS 36 2HG LYS 36 -6.775 -8.800 -14.131 270 HG3 LYS 36 3HG LYS 36 -8.285 -7.891 -14.102 271 HD2 LYS 36 2HD LYS 36 -7.500 -6.616 -12.168 272 HD3 LYS 36 3HD LYS 36 -6.006 -7.553 -12.134 273 HE2 LYS 36 2HE LYS 36 -5.423 -6.701 -14.363 274 HE3 LYS 36 3HE LYS 36 -6.915 -5.766 -14.399 275 HZ1 LYS 36 3HZ LYS 36 -6.118 -4.493 -12.500 276 HZ2 LYS 36 1HZ LYS 36 -5.023 -4.402 -13.784 277 HZ3 LYS 36 2HZ LYS 36 -4.694 -5.397 -12.460 278 H ILE 37 H ILE 37 -6.837 -10.196 -9.567 279 HA ILE 37 HA ILE 37 -4.594 -8.423 -9.572 280 HB ILE 37 HB ILE 37 -5.598 -10.087 -7.253 281 HG12 ILE 37 2HG1 ILE 37 -7.473 -8.816 -8.111 282 HG13 ILE 37 3HG1 ILE 37 -6.913 -8.054 -6.629 283 HG21 ILE 37 1HG2 ILE 37 -4.611 -8.311 -5.869 284 HG22 ILE 37 2HG2 ILE 37 -4.006 -7.519 -7.326 285 HG23 ILE 37 3HG2 ILE 37 -3.402 -9.114 -6.872 286 HD11 ILE 37 3HD1 ILE 37 -5.728 -6.374 -7.977 287 HD12 ILE 37 1HD1 ILE 37 -7.466 -6.385 -8.267 288 HD13 ILE 37 2HD1 ILE 37 -6.374 -7.123 -9.438 289 H SER 38 H SER 38 -2.794 -9.265 -10.539 290 HA SER 38 HA SER 38 -1.767 -11.865 -9.624 291 HB2 SER 38 2HB SER 38 -0.870 -10.143 -11.955 292 HB3 SER 38 3HB SER 38 -0.223 -11.733 -11.548 293 HG SER 38 HG SER 38 -2.368 -12.562 -11.865 294 H LYS 39 H LYS 39 0.568 -12.064 -9.248 295 HA LYS 39 HA LYS 39 1.501 -10.445 -7.204 296 HB2 LYS 39 2HB LYS 39 2.221 -12.776 -7.803 297 HB3 LYS 39 3HB LYS 39 3.179 -12.102 -9.106 298 HG2 LYS 39 2HG LYS 39 3.647 -11.187 -6.297 299 HG3 LYS 39 3HG LYS 39 4.282 -12.738 -6.835 300 HD2 LYS 39 2HD LYS 39 5.353 -11.482 -8.766 301 HD3 LYS 39 3HD LYS 39 4.922 -9.996 -7.912 302 HE2 LYS 39 2HE LYS 39 7.225 -10.649 -7.417 303 HE3 LYS 39 3HE LYS 39 6.222 -10.738 -5.968 304 HZ1 LYS 39 3HZ LYS 39 6.994 -13.047 -7.674 305 HZ2 LYS 39 1HZ LYS 39 6.052 -13.130 -6.272 306 HZ3 LYS 39 2HZ LYS 39 7.672 -12.666 -6.175 307 H GLU 40 H GLU 40 2.616 -10.458 -10.605 308 HA GLU 40 HA GLU 40 4.272 -8.179 -10.398 309 HB2 GLU 40 2HB GLU 40 4.143 -8.142 -12.889 310 HB3 GLU 40 3HB GLU 40 4.554 -9.718 -12.227 311 HG2 GLU 40 2HG GLU 40 2.234 -10.456 -12.540 312 HG3 GLU 40 3HG GLU 40 1.829 -8.876 -13.206 313 H ALA 41 H ALA 41 0.834 -8.495 -11.056 314 HA ALA 41 HA ALA 41 0.395 -5.864 -12.043 315 HB1 ALA 41 3HB ALA 41 -1.571 -7.764 -10.761 316 HB2 ALA 41 1HB ALA 41 -1.155 -7.707 -12.473 317 HB3 ALA 41 2HB ALA 41 -1.978 -6.340 -11.721 318 H LEU 42 H LEU 42 0.397 -7.250 -8.809 319 HA LEU 42 HA LEU 42 -0.656 -4.940 -7.491 320 HB2 LEU 42 2HB LEU 42 -0.670 -7.277 -6.576 321 HB3 LEU 42 3HB LEU 42 1.061 -7.156 -6.338 322 HG LEU 42 HG LEU 42 -0.812 -5.201 -5.005 323 HD11 LEU 42 1HD1 LEU 42 -1.625 -7.432 -4.422 324 HD12 LEU 42 2HD1 LEU 42 -0.862 -6.654 -3.036 325 HD13 LEU 42 3HD1 LEU 42 0.001 -7.907 -3.930 326 HD21 LEU 42 3HD2 LEU 42 1.557 -4.646 -4.955 327 HD22 LEU 42 1HD2 LEU 42 1.941 -6.241 -4.304 328 HD23 LEU 42 2HD2 LEU 42 1.005 -5.094 -3.341 329 H LEU 43 H LEU 43 2.612 -6.151 -8.152 330 HA LEU 43 HA LEU 43 4.090 -4.300 -6.672 331 HB2 LEU 43 2HB LEU 43 4.838 -5.661 -9.263 332 HB3 LEU 43 3HB LEU 43 5.964 -4.842 -8.195 333 HG LEU 43 HG LEU 43 4.385 -7.341 -7.549 334 HD11 LEU 43 1HD1 LEU 43 6.245 -7.709 -9.093 335 HD12 LEU 43 2HD1 LEU 43 6.565 -8.431 -7.516 336 HD13 LEU 43 3HD1 LEU 43 7.345 -6.914 -7.965 337 HD21 LEU 43 3HD2 LEU 43 5.675 -7.379 -5.454 338 HD22 LEU 43 1HD2 LEU 43 4.622 -5.968 -5.557 339 HD23 LEU 43 2HD2 LEU 43 6.353 -5.800 -5.852 340 H GLU 44 H GLU 44 3.158 -4.093 -10.137 341 HA GLU 44 HA GLU 44 4.491 -1.725 -10.732 342 HB2 GLU 44 2HB GLU 44 2.915 -1.437 -12.601 343 HB3 GLU 44 3HB GLU 44 3.503 -3.089 -12.482 344 HG2 GLU 44 2HG GLU 44 1.433 -3.832 -11.534 345 HG3 GLU 44 3HG GLU 44 0.847 -2.176 -11.389 346 H CYS 45 H CYS 45 1.226 -2.128 -9.395 347 HA CYS 45 HA CYS 45 0.489 0.601 -9.426 348 HB2 CYS 45 2HB CYS 45 -0.452 -1.611 -7.581 349 HB3 CYS 45 3HB CYS 45 -1.250 -0.056 -7.795 350 HG CYS 45 HG CYS 45 -1.084 -2.670 -9.976 351 H ALA 46 H ALA 46 2.061 -1.402 -6.962 352 HA ALA 46 HA ALA 46 2.098 0.568 -4.915 353 HB1 ALA 46 3HB ALA 46 3.693 -0.918 -3.797 354 HB2 ALA 46 1HB ALA 46 3.861 -1.859 -5.280 355 HB3 ALA 46 2HB ALA 46 2.312 -1.810 -4.436 356 H ASP 47 H ASP 47 4.582 -0.459 -7.271 357 HA ASP 47 HA ASP 47 6.647 1.239 -6.514 358 HB2 ASP 47 2HB ASP 47 5.869 0.084 -9.187 359 HB3 ASP 47 3HB ASP 47 7.286 1.118 -9.014 360 H LEU 48 H LEU 48 3.796 1.976 -8.482 361 HA LEU 48 HA LEU 48 4.513 4.516 -9.403 362 HB2 LEU 48 2HB LEU 48 1.826 3.403 -8.599 363 HB3 LEU 48 3HB LEU 48 2.013 4.996 -9.308 364 HG LEU 48 HG LEU 48 2.762 2.382 -10.632 365 HD11 LEU 48 1HD1 LEU 48 0.889 2.878 -12.141 366 HD12 LEU 48 2HD1 LEU 48 0.473 4.281 -11.156 367 HD13 LEU 48 3HD1 LEU 48 0.357 2.657 -10.475 368 HD21 LEU 48 3HD2 LEU 48 3.131 3.768 -12.641 369 HD22 LEU 48 1HD2 LEU 48 4.250 4.169 -11.336 370 HD23 LEU 48 2HD2 LEU 48 2.873 5.219 -11.671 371 H LEU 49 H LEU 49 2.872 3.658 -6.343 372 HA LEU 49 HA LEU 49 2.806 6.262 -5.262 373 HB2 LEU 49 2HB LEU 49 2.825 3.539 -3.965 374 HB3 LEU 49 3HB LEU 49 2.773 5.010 -3.014 375 HG LEU 49 HG LEU 49 0.641 5.628 -4.133 376 HD11 LEU 49 1HD1 LEU 49 0.807 2.869 -5.345 377 HD12 LEU 49 2HD1 LEU 49 0.933 4.395 -6.222 378 HD13 LEU 49 3HD1 LEU 49 -0.577 3.959 -5.423 379 HD21 LEU 49 3HD2 LEU 49 0.599 4.523 -1.976 380 HD22 LEU 49 1HD2 LEU 49 0.685 2.941 -2.756 381 HD23 LEU 49 2HD2 LEU 49 -0.740 3.956 -2.972 382 H SER 50 H SER 50 5.165 3.635 -4.802 383 HA SER 50 HA SER 50 6.918 4.895 -3.055 384 HB2 SER 50 2HB SER 50 7.110 2.524 -3.589 385 HB3 SER 50 3HB SER 50 7.563 2.905 -5.249 386 HG SER 50 HG SER 50 9.461 2.578 -4.246 387 H SER 51 H SER 51 6.873 5.062 -6.605 388 HA SER 51 HA SER 51 9.224 6.704 -6.758 389 HB2 SER 51 2HB SER 51 8.635 5.264 -8.634 390 HB3 SER 51 3HB SER 51 7.106 6.116 -8.844 391 HG SER 51 HG SER 51 9.282 7.785 -8.857 392 H ALA 52 H ALA 52 5.732 7.339 -6.948 393 HA ALA 52 HA ALA 52 5.893 10.046 -7.700 394 HB1 ALA 52 3HB ALA 52 3.571 10.217 -7.008 395 HB2 ALA 52 1HB ALA 52 3.702 8.706 -6.107 396 HB3 ALA 52 2HB ALA 52 3.838 8.698 -7.866 397 H LEU 53 H LEU 53 5.968 8.530 -4.506 398 HA LEU 53 HA LEU 53 5.617 10.911 -2.997 399 HB2 LEU 53 2HB LEU 53 6.799 8.231 -2.268 400 HB3 LEU 53 3HB LEU 53 6.542 9.519 -1.106 401 HG LEU 53 HG LEU 53 4.341 8.218 -2.725 402 HD11 LEU 53 1HD1 LEU 53 5.099 7.807 0.168 403 HD12 LEU 53 2HD1 LEU 53 5.320 6.639 -1.135 404 HD13 LEU 53 3HD1 LEU 53 3.694 7.117 -0.647 405 HD21 LEU 53 3HD2 LEU 53 2.840 9.392 -1.201 406 HD22 LEU 53 1HD2 LEU 53 3.862 10.532 -2.078 407 HD23 LEU 53 2HD2 LEU 53 4.221 10.139 -0.396 408 H THR 54 H THR 54 8.276 10.000 -4.851 409 HA THR 54 HA THR 54 10.306 11.160 -3.110 410 HB THR 54 HB THR 54 11.914 10.680 -4.845 411 HG1 THR 54 HG1 THR 54 10.069 9.562 -6.608 412 HG21 THR 54 3HG2 THR 54 11.228 8.774 -3.479 413 HG22 THR 54 1HG2 THR 54 11.598 8.255 -5.123 414 HG23 THR 54 2HG2 THR 54 9.919 8.418 -4.608 415 H GLU 55 H GLU 55 8.082 12.302 -5.416 416 HA GLU 55 HA GLU 55 9.505 14.884 -5.590 417 HB2 GLU 55 2HB GLU 55 8.593 15.181 -7.863 418 HB3 GLU 55 3HB GLU 55 9.643 13.775 -7.760 419 HG2 GLU 55 2HG GLU 55 7.688 12.312 -7.663 420 HG3 GLU 55 3HG GLU 55 6.627 13.718 -7.742 421 HA PRO 56 HA PRO 56 5.815 16.824 -4.084 422 HB2 PRO 56 2HB PRO 56 5.475 18.992 -5.732 423 HB3 PRO 56 3HB PRO 56 6.692 18.913 -4.453 424 HG2 PRO 56 2HG PRO 56 7.000 18.405 -7.395 425 HG3 PRO 56 3HG PRO 56 8.053 19.323 -6.302 426 HD2 PRO 56 2HD PRO 56 8.653 16.813 -7.045 427 HD3 PRO 56 3HD PRO 56 9.016 17.407 -5.410 428 H VAL 57 H VAL 57 3.823 16.031 -4.276 429 HA VAL 57 HA VAL 57 2.412 16.143 -6.841 430 HB VAL 57 HB VAL 57 1.483 13.815 -6.382 431 HG11 VAL 57 1HG1 VAL 57 3.121 14.246 -8.158 432 HG12 VAL 57 2HG1 VAL 57 3.371 12.663 -7.422 433 HG13 VAL 57 3HG1 VAL 57 4.437 14.006 -7.008 434 HG21 VAL 57 3HG2 VAL 57 3.849 13.707 -4.498 435 HG22 VAL 57 1HG2 VAL 57 2.894 12.316 -5.015 436 HG23 VAL 57 2HG2 VAL 57 2.145 13.591 -4.055 437 HA PRO 58 HA PRO 58 -0.963 17.493 -4.291 438 HB2 PRO 58 2HB PRO 58 -3.107 16.774 -5.800 439 HB3 PRO 58 3HB PRO 58 -2.034 18.110 -6.227 440 HG2 PRO 58 2HG PRO 58 -2.072 15.306 -7.269 441 HG3 PRO 58 3HG PRO 58 -1.868 16.826 -8.158 442 HD2 PRO 58 2HD PRO 58 0.218 15.214 -7.491 443 HD3 PRO 58 3HD PRO 58 0.375 16.977 -7.629 444 H ASN 59 H ASN 59 -2.580 16.818 -2.854 445 HA ASN 59 HA ASN 59 -2.177 14.307 -1.668 446 HB2 ASN 59 2HB ASN 59 -2.927 16.285 -0.425 447 HB3 ASN 59 3HB ASN 59 -4.463 16.262 -1.286 448 HD21 ASN 59 1HD2 ASN 59 -2.521 14.709 1.146 449 HD22 ASN 59 2HD2 ASN 59 -3.800 13.779 1.837 450 H SER 60 H SER 60 -5.025 15.490 -3.497 451 HA SER 60 HA SER 60 -6.615 13.220 -3.313 452 HB2 SER 60 2HB SER 60 -7.440 15.353 -4.230 453 HB3 SER 60 3HB SER 60 -6.440 15.130 -5.665 454 HG SER 60 HG SER 60 -7.880 12.929 -5.381 455 H GLN 61 H GLN 61 -4.078 13.929 -5.681 456 HA GLN 61 HA GLN 61 -4.452 11.704 -7.358 457 HB2 GLN 61 2HB GLN 61 -3.069 13.688 -7.910 458 HB3 GLN 61 3HB GLN 61 -1.876 13.168 -6.729 459 HG2 GLN 61 2HG GLN 61 -1.363 11.208 -8.030 460 HG3 GLN 61 3HG GLN 61 -2.673 11.566 -9.157 461 HE21 GLN 61 1HE2 GLN 61 0.183 11.253 -9.686 462 HE22 GLN 61 2HE2 GLN 61 0.691 12.735 -10.415 463 H LEU 62 H LEU 62 -2.295 12.116 -4.538 464 HA LEU 62 HA LEU 62 -1.177 9.539 -4.546 465 HB2 LEU 62 2HB LEU 62 -1.651 11.497 -2.301 466 HB3 LEU 62 3HB LEU 62 -0.801 9.979 -2.070 467 HG LEU 62 HG LEU 62 0.070 12.201 -3.929 468 HD11 LEU 62 1HD1 LEU 62 0.313 12.847 -1.600 469 HD12 LEU 62 2HD1 LEU 62 1.894 12.531 -2.314 470 HD13 LEU 62 3HD1 LEU 62 1.156 11.338 -1.243 471 HD21 LEU 62 3HD2 LEU 62 2.137 10.888 -4.150 472 HD22 LEU 62 1HD2 LEU 62 0.735 10.006 -4.752 473 HD23 LEU 62 2HD2 LEU 62 1.422 9.602 -3.179 474 H VAL 63 H VAL 63 -3.946 10.767 -2.655 475 HA VAL 63 HA VAL 63 -4.532 8.363 -1.332 476 HB VAL 63 HB VAL 63 -6.459 10.580 -2.064 477 HG11 VAL 63 1HG1 VAL 63 -7.749 9.802 -0.109 478 HG12 VAL 63 2HG1 VAL 63 -6.636 8.444 0.069 479 HG13 VAL 63 3HG1 VAL 63 -7.645 8.575 -1.371 480 HG21 VAL 63 3HG2 VAL 63 -5.970 11.483 0.165 481 HG22 VAL 63 1HG2 VAL 63 -4.522 11.432 -0.842 482 HG23 VAL 63 2HG2 VAL 63 -4.767 10.218 0.415 483 H ASP 64 H ASP 64 -5.776 9.651 -4.403 484 HA ASP 64 HA ASP 64 -7.696 7.648 -4.900 485 HB2 ASP 64 2HB ASP 64 -7.583 9.830 -6.087 486 HB3 ASP 64 3HB ASP 64 -6.131 9.283 -6.919 487 H THR 65 H THR 65 -4.378 7.988 -6.177 488 HA THR 65 HA THR 65 -4.303 5.524 -7.540 489 HB THR 65 HB THR 65 -1.943 7.036 -6.380 490 HG1 THR 65 HG1 THR 65 -2.706 8.498 -7.748 491 HG21 THR 65 3HG2 THR 65 -2.109 5.099 -8.705 492 HG22 THR 65 1HG2 THR 65 -1.358 4.774 -7.141 493 HG23 THR 65 2HG2 THR 65 -0.672 5.993 -8.212 494 H GLY 66 H GLY 66 -3.515 6.364 -4.197 495 HA2 GLY 66 2HA GLY 66 -2.451 3.790 -3.511 496 HA3 GLY 66 3HA GLY 66 -2.943 5.046 -2.385 497 H HIS 67 H HIS 67 -5.667 5.161 -3.582 498 HA HIS 67 HA HIS 67 -6.963 3.411 -1.816 499 HB2 HIS 67 2HB HIS 67 -7.921 5.530 -2.738 500 HB3 HIS 67 3HB HIS 67 -8.155 4.712 -4.278 501 HD1 HIS 67 HD1 HIS 67 -10.523 4.076 -4.557 502 HD2 HIS 67 HD2 HIS 67 -9.327 3.796 -0.586 503 HE1 HIS 67 HE1 HIS 67 -12.540 3.270 -3.305 504 HE2 HIS 67 HE2 HIS 67 -11.850 3.302 -0.888 505 H GLN 68 H GLN 68 -5.997 2.955 -5.170 506 HA GLN 68 HA GLN 68 -7.633 0.653 -5.627 507 HB2 GLN 68 2HB GLN 68 -6.505 0.398 -7.693 508 HB3 GLN 68 3HB GLN 68 -6.619 2.131 -7.423 509 HG2 GLN 68 2HG GLN 68 -4.286 2.160 -6.670 510 HG3 GLN 68 3HG GLN 68 -4.177 0.424 -6.945 511 HE21 GLN 68 1HE2 GLN 68 -5.830 0.625 -9.401 512 HE22 GLN 68 2HE2 GLN 68 -4.780 1.281 -10.598 513 H LEU 69 H LEU 69 -4.461 1.143 -4.208 514 HA LEU 69 HA LEU 69 -3.479 -1.482 -4.353 515 HB2 LEU 69 2HB LEU 69 -2.954 0.835 -2.541 516 HB3 LEU 69 3HB LEU 69 -2.353 -0.739 -2.061 517 HG LEU 69 HG LEU 69 -0.618 0.540 -3.196 518 HD11 LEU 69 1HD1 LEU 69 -0.611 -1.891 -3.421 519 HD12 LEU 69 2HD1 LEU 69 0.047 -1.110 -4.858 520 HD13 LEU 69 3HD1 LEU 69 -1.591 -1.766 -4.883 521 HD21 LEU 69 3HD2 LEU 69 -2.475 0.558 -5.580 522 HD22 LEU 69 1HD2 LEU 69 -0.797 1.104 -5.574 523 HD23 LEU 69 2HD2 LEU 69 -2.005 1.956 -4.612 524 H LEU 70 H LEU 70 -5.736 0.002 -2.084 525 HA LEU 70 HA LEU 70 -5.892 -2.172 -0.274 526 HB2 LEU 70 2HB LEU 70 -7.656 0.169 -0.897 527 HB3 LEU 70 3HB LEU 70 -8.276 -1.116 0.124 528 HG LEU 70 HG LEU 70 -7.371 0.746 1.445 529 HD11 LEU 70 1HD1 LEU 70 -5.766 -1.802 1.661 530 HD12 LEU 70 2HD1 LEU 70 -7.333 -1.481 2.404 531 HD13 LEU 70 3HD1 LEU 70 -5.912 -0.574 2.918 532 HD21 LEU 70 3HD2 LEU 70 -5.643 1.509 -0.114 533 HD22 LEU 70 1HD2 LEU 70 -4.712 0.041 0.195 534 HD23 LEU 70 2HD2 LEU 70 -4.978 1.209 1.492 535 H ASP 71 H ASP 71 -7.568 -1.495 -3.305 536 HA ASP 71 HA ASP 71 -9.444 -3.634 -3.114 537 HB2 ASP 71 2HB ASP 71 -9.452 -1.567 -4.689 538 HB3 ASP 71 3HB ASP 71 -8.393 -2.524 -5.719 539 H TYR 72 H TYR 72 -6.334 -3.286 -4.824 540 HA TYR 72 HA TYR 72 -6.041 -5.903 -5.759 541 HB2 TYR 72 2HB TYR 72 -4.103 -3.709 -5.082 542 HB3 TYR 72 3HB TYR 72 -3.486 -5.303 -5.500 543 HD1 TYR 72 HD1 TYR 72 -5.969 -2.806 -6.819 544 HD2 TYR 72 HD2 TYR 72 -2.942 -5.669 -7.710 545 HE1 TYR 72 HE1 TYR 72 -6.165 -2.265 -9.212 546 HE2 TYR 72 HE2 TYR 72 -3.130 -5.132 -10.098 547 HH TYR 72 HH TYR 72 -4.820 -2.419 -11.256 548 H CYS 73 H CYS 73 -5.018 -4.509 -2.648 549 HA CYS 73 HA CYS 73 -3.731 -6.835 -1.679 550 HB2 CYS 73 2HB CYS 73 -4.875 -4.449 -0.213 551 HB3 CYS 73 3HB CYS 73 -3.955 -5.726 0.576 552 HG CYS 73 HG CYS 73 -2.706 -3.756 -1.936 553 H SER 74 H SER 74 -7.006 -5.545 -1.074 554 HA SER 74 HA SER 74 -7.901 -7.524 0.693 555 HB2 SER 74 2HB SER 74 -9.178 -5.480 0.325 556 HB3 SER 74 3HB SER 74 -9.485 -5.937 -1.349 557 HG SER 74 HG SER 74 -11.191 -6.893 -0.610 558 H GLY 75 H GLY 75 -7.634 -7.578 -2.805 559 HA2 GLY 75 2HA GLY 75 -9.065 -10.090 -3.054 560 HA3 GLY 75 3HA GLY 75 -8.255 -9.215 -4.341 561 H TYR 76 H TYR 76 -5.660 -9.048 -3.315 562 HA TYR 76 HA TYR 76 -4.678 -11.570 -4.153 563 HB2 TYR 76 2HB TYR 76 -3.540 -9.337 -4.464 564 HB3 TYR 76 3HB TYR 76 -3.086 -9.403 -2.766 565 HD1 TYR 76 HD2 TYR 76 -2.833 -11.404 -5.917 566 HD2 TYR 76 HD1 TYR 76 -1.034 -10.396 -2.185 567 HE1 TYR 76 HE2 TYR 76 -0.844 -12.714 -6.527 568 HE2 TYR 76 HE1 TYR 76 0.960 -11.705 -2.791 569 HH TYR 76 HH TYR 76 1.625 -13.492 -4.262 570 H VAL 77 H VAL 77 -5.141 -10.159 -0.956 571 HA VAL 77 HA VAL 77 -3.562 -11.924 0.543 572 HB VAL 77 HB VAL 77 -4.537 -9.854 1.474 573 HG11 VAL 77 1HG1 VAL 77 -6.852 -9.799 2.258 574 HG12 VAL 77 2HG1 VAL 77 -7.148 -11.381 1.533 575 HG13 VAL 77 3HG1 VAL 77 -6.779 -9.994 0.506 576 HG21 VAL 77 3HG2 VAL 77 -5.102 -10.758 3.700 577 HG22 VAL 77 1HG2 VAL 77 -3.683 -11.536 2.996 578 HG23 VAL 77 2HG2 VAL 77 -5.237 -12.369 2.997 579 H ASP 78 H ASP 78 -6.714 -12.376 -0.890 580 HA ASP 78 HA ASP 78 -7.428 -14.740 0.559 581 HB2 ASP 78 2HB ASP 78 -9.081 -13.280 -0.574 582 HB3 ASP 78 3HB ASP 78 -8.405 -13.736 -2.133 583 H CYS 79 H CYS 79 -5.235 -14.111 -1.980 584 HA CYS 79 HA CYS 79 -5.250 -16.907 -2.908 585 HB2 CYS 79 2HB CYS 79 -4.053 -14.441 -4.196 586 HB3 CYS 79 3HB CYS 79 -3.996 -16.068 -4.867 587 HG CYS 79 HG CYS 79 -5.985 -14.106 -5.945 588 H ILE 80 H ILE 80 -3.623 -15.197 -0.628 589 HA ILE 80 HA ILE 80 -0.916 -16.014 -1.300 590 HB ILE 80 HB ILE 80 -1.970 -14.767 1.249 591 HG12 ILE 80 2HG1 ILE 80 -0.542 -13.536 -1.130 592 HG13 ILE 80 3HG1 ILE 80 -2.228 -13.286 -0.691 593 HG21 ILE 80 1HG2 ILE 80 0.097 -16.004 1.646 594 HG22 ILE 80 2HG2 ILE 80 0.387 -14.267 1.747 595 HG23 ILE 80 3HG2 ILE 80 0.876 -15.162 0.306 596 HD11 ILE 80 3HD1 ILE 80 -0.858 -11.389 -0.059 597 HD12 ILE 80 1HD1 ILE 80 0.165 -12.433 0.928 598 HD13 ILE 80 2HD1 ILE 80 -1.525 -12.179 1.369 599 HA PRO 81 HA PRO 81 -1.516 -20.053 0.630 600 HB2 PRO 81 2HB PRO 81 1.336 -20.451 0.025 601 HB3 PRO 81 3HB PRO 81 -0.070 -21.331 -0.578 602 HG2 PRO 81 2HG PRO 81 1.353 -19.686 -2.163 603 HG3 PRO 81 3HG PRO 81 -0.404 -19.862 -2.333 604 HD2 PRO 81 2HD PRO 81 1.154 -17.684 -0.968 605 HD3 PRO 81 3HD PRO 81 -0.241 -17.551 -2.062 606 H GLN 82 H GLN 82 1.581 -18.345 1.242 607 HA GLN 82 HA GLN 82 2.025 -19.589 3.775 608 HB2 GLN 82 2HB GLN 82 3.256 -17.186 2.419 609 HB3 GLN 82 3HB GLN 82 3.747 -17.699 4.024 610 HG2 GLN 82 2HG GLN 82 5.283 -18.497 2.313 611 HG3 GLN 82 3HG GLN 82 4.496 -19.834 3.147 612 HE21 GLN 82 1HE2 GLN 82 3.124 -21.169 2.012 613 HE22 GLN 82 2HE2 GLN 82 2.981 -21.124 0.292 614 H THR 83 H THR 83 0.780 -19.208 5.544 615 HA THR 83 HA THR 83 -0.893 -16.926 5.802 616 HB THR 83 HB THR 83 -0.087 -18.817 8.031 617 HG1 THR 83 HG1 THR 83 -2.467 -19.451 7.236 618 HG21 THR 83 3HG2 THR 83 -2.475 -16.977 7.705 619 HG22 THR 83 1HG2 THR 83 -1.147 -16.763 8.849 620 HG23 THR 83 2HG2 THR 83 -2.250 -18.129 9.020 621 H ARG 84 H ARG 84 2.293 -17.692 7.201 622 HA ARG 84 HA ARG 84 2.485 -15.497 8.946 623 HB2 ARG 84 2HB ARG 84 4.623 -16.967 7.399 624 HB3 ARG 84 3HB ARG 84 4.989 -15.705 8.565 625 HG2 ARG 84 2HG ARG 84 3.582 -18.307 9.156 626 HG3 ARG 84 3HG ARG 84 5.260 -17.922 9.533 627 HD2 ARG 84 2HD ARG 84 4.163 -17.568 11.557 628 HD3 ARG 84 3HD ARG 84 4.284 -15.945 10.877 629 HE ARG 84 HE ARG 84 1.826 -17.482 10.447 630 HH11 ARG 84 1HH1 ARG 84 3.410 -14.789 11.895 631 HH12 ARG 84 2HH1 ARG 84 1.935 -14.088 12.454 632 HH21 ARG 84 1HH2 ARG 84 -0.056 -16.566 11.153 633 HH22 ARG 84 2HH2 ARG 84 -0.010 -15.076 12.035 634 H ASN 85 H ASN 85 3.744 -15.754 5.606 635 HA ASN 85 HA ASN 85 4.412 -13.063 5.253 636 HB2 ASN 85 2HB ASN 85 3.441 -15.049 3.175 637 HB3 ASN 85 3HB ASN 85 4.239 -13.518 2.819 638 HD21 ASN 85 1HD2 ASN 85 5.918 -14.595 1.746 639 HD22 ASN 85 2HD2 ASN 85 7.135 -15.465 2.608 640 H LYS 86 H LYS 86 1.328 -14.733 4.794 641 HA LYS 86 HA LYS 86 -0.098 -12.633 3.588 642 HB2 LYS 86 2HB LYS 86 -0.863 -14.994 3.684 643 HB3 LYS 86 3HB LYS 86 -1.180 -14.800 5.402 644 HG2 LYS 86 2HG LYS 86 -2.873 -13.125 4.937 645 HG3 LYS 86 3HG LYS 86 -2.511 -13.211 3.211 646 HD2 LYS 86 2HD LYS 86 -4.505 -14.491 3.681 647 HD3 LYS 86 3HD LYS 86 -3.202 -15.588 3.219 648 HE2 LYS 86 2HE LYS 86 -2.802 -16.098 5.588 649 HE3 LYS 86 3HE LYS 86 -4.113 -15.006 6.042 650 HZ1 LYS 86 3HZ LYS 86 -4.898 -17.257 6.020 651 HZ2 LYS 86 1HZ LYS 86 -4.363 -17.484 4.433 652 HZ3 LYS 86 2HZ LYS 86 -5.632 -16.412 4.757 653 H PHE 87 H PHE 87 0.353 -13.443 7.031 654 HA PHE 87 HA PHE 87 -1.354 -11.375 7.986 655 HB2 PHE 87 2HB PHE 87 -0.625 -13.401 9.318 656 HB3 PHE 87 3HB PHE 87 0.942 -12.619 9.513 657 HD1 PHE 87 HD1 PHE 87 1.177 -10.622 10.904 658 HD2 PHE 87 HD2 PHE 87 -2.584 -12.575 10.468 659 HE1 PHE 87 HE1 PHE 87 0.302 -9.362 12.830 660 HE2 PHE 87 HE2 PHE 87 -3.461 -11.319 12.395 661 HZ PHE 87 HZ PHE 87 -2.023 -9.712 13.575 662 H ALA 88 H ALA 88 2.190 -11.617 7.650 663 HA ALA 88 HA ALA 88 2.913 -9.053 8.448 664 HB1 ALA 88 3HB ALA 88 4.153 -10.674 6.218 665 HB2 ALA 88 1HB ALA 88 4.523 -10.840 7.934 666 HB3 ALA 88 2HB ALA 88 4.918 -9.343 7.088 667 H PHE 89 H PHE 89 1.627 -10.167 5.384 668 HA PHE 89 HA PHE 89 1.774 -7.726 3.948 669 HB2 PHE 89 2HB PHE 89 1.482 -9.888 2.848 670 HB3 PHE 89 3HB PHE 89 -0.050 -10.133 3.667 671 HD1 PHE 89 HD2 PHE 89 1.682 -8.216 1.040 672 HD2 PHE 89 HD1 PHE 89 -2.070 -9.168 2.827 673 HE1 PHE 89 HE2 PHE 89 0.513 -7.220 -0.880 674 HE2 PHE 89 HE1 PHE 89 -3.238 -8.178 0.903 675 HZ PHE 89 HZ PHE 89 -1.947 -7.200 -0.950 676 H ARG 90 H ARG 90 -0.862 -9.254 5.801 677 HA ARG 90 HA ARG 90 -2.796 -7.271 5.281 678 HB2 ARG 90 2HB ARG 90 -2.560 -9.553 7.179 679 HB3 ARG 90 3HB ARG 90 -3.788 -8.340 7.514 680 HG2 ARG 90 2HG ARG 90 -3.523 -9.841 4.911 681 HG3 ARG 90 3HG ARG 90 -4.648 -10.248 6.212 682 HD2 ARG 90 2HD ARG 90 -4.581 -7.644 4.674 683 HD3 ARG 90 3HD ARG 90 -5.755 -8.943 4.457 684 HE ARG 90 HE ARG 90 -6.206 -8.474 6.954 685 HH11 ARG 90 1HH1 ARG 90 -5.540 -6.095 4.554 686 HH12 ARG 90 2HH1 ARG 90 -6.375 -4.848 5.407 687 HH21 ARG 90 1HH2 ARG 90 -7.270 -6.866 8.037 688 HH22 ARG 90 2HH2 ARG 90 -7.350 -5.280 7.353 689 H GLU 91 H GLU 91 -0.642 -7.669 8.108 690 HA GLU 91 HA GLU 91 -1.648 -5.489 9.570 691 HB2 GLU 91 2HB GLU 91 0.541 -5.480 10.743 692 HB3 GLU 91 3HB GLU 91 -0.182 -7.079 10.643 693 HG2 GLU 91 2HG GLU 91 1.314 -7.685 8.843 694 HG3 GLU 91 3HG GLU 91 1.989 -6.057 8.819 695 H ALA 92 H ALA 92 0.921 -5.634 7.111 696 HA ALA 92 HA ALA 92 1.658 -2.919 7.164 697 HB1 ALA 92 3HB ALA 92 2.606 -3.317 4.949 698 HB2 ALA 92 1HB ALA 92 1.696 -4.822 4.818 699 HB3 ALA 92 2HB ALA 92 2.966 -4.662 6.031 700 H VAL 93 H VAL 93 -0.778 -4.617 5.175 701 HA VAL 93 HA VAL 93 -1.817 -2.423 3.785 702 HB VAL 93 HB VAL 93 -3.272 -4.886 4.788 703 HG11 VAL 93 1HG1 VAL 93 -4.886 -3.129 4.317 704 HG12 VAL 93 2HG1 VAL 93 -4.972 -4.382 3.079 705 HG13 VAL 93 3HG1 VAL 93 -4.159 -2.856 2.733 706 HG21 VAL 93 3HG2 VAL 93 -1.417 -5.371 3.271 707 HG22 VAL 93 1HG2 VAL 93 -2.087 -4.252 2.082 708 HG23 VAL 93 2HG2 VAL 93 -2.970 -5.720 2.512 709 H SER 94 H SER 94 -2.602 -3.634 7.026 710 HA SER 94 HA SER 94 -4.747 -1.938 7.627 711 HB2 SER 94 2HB SER 94 -4.165 -3.839 9.051 712 HB3 SER 94 3HB SER 94 -2.650 -3.060 9.504 713 HG SER 94 HG SER 94 -5.285 -2.150 10.082 714 H LYS 95 H LYS 95 -1.246 -1.410 8.084 715 HA LYS 95 HA LYS 95 -1.548 1.221 9.148 716 HB2 LYS 95 2HB LYS 95 0.774 -0.302 7.995 717 HB3 LYS 95 3HB LYS 95 0.930 1.417 8.323 718 HG2 LYS 95 2HG LYS 95 1.803 0.201 10.184 719 HG3 LYS 95 3HG LYS 95 0.305 0.984 10.686 720 HD2 LYS 95 2HD LYS 95 -0.885 -1.164 10.347 721 HD3 LYS 95 3HD LYS 95 0.652 -1.924 9.931 722 HE2 LYS 95 2HE LYS 95 0.099 -2.392 12.244 723 HE3 LYS 95 3HE LYS 95 1.517 -1.348 12.168 724 HZ1 LYS 95 3HZ LYS 95 -0.089 -0.661 13.870 725 HZ2 LYS 95 1HZ LYS 95 -1.252 -0.406 12.670 726 HZ3 LYS 95 2HZ LYS 95 0.149 0.542 12.705 727 H LEU 96 H LEU 96 -1.320 -0.046 5.878 728 HA LEU 96 HA LEU 96 -0.818 2.392 4.530 729 HB2 LEU 96 2HB LEU 96 -0.493 0.227 3.460 730 HB3 LEU 96 3HB LEU 96 -2.208 -0.118 3.577 731 HG LEU 96 HG LEU 96 -2.659 1.788 2.030 732 HD11 LEU 96 1HD1 LEU 96 0.350 1.872 1.793 733 HD12 LEU 96 2HD1 LEU 96 -0.694 3.136 2.447 734 HD13 LEU 96 3HD1 LEU 96 -0.781 2.718 0.736 735 HD21 LEU 96 3HD2 LEU 96 -1.866 0.660 -0.004 736 HD22 LEU 96 1HD2 LEU 96 -2.549 -0.473 1.160 737 HD23 LEU 96 2HD2 LEU 96 -0.799 -0.346 0.978 738 H GLU 97 H GLU 97 -3.912 0.653 5.063 739 HA GLU 97 HA GLU 97 -5.579 2.577 3.882 740 HB2 GLU 97 2HB GLU 97 -7.409 1.552 5.254 741 HB3 GLU 97 3HB GLU 97 -6.468 0.398 4.324 742 HG2 GLU 97 2HG GLU 97 -5.244 -0.259 6.302 743 HG3 GLU 97 3HG GLU 97 -6.072 0.969 7.257 744 H LEU 98 H LEU 98 -4.638 2.188 7.307 745 HA LEU 98 HA LEU 98 -6.028 4.399 8.329 746 HB2 LEU 98 2HB LEU 98 -3.426 3.154 9.236 747 HB3 LEU 98 3HB LEU 98 -4.303 4.364 10.157 748 HG LEU 98 HG LEU 98 -5.387 1.638 9.419 749 HD11 LEU 98 1HD1 LEU 98 -4.358 2.650 12.068 750 HD12 LEU 98 2HD1 LEU 98 -3.544 1.487 11.022 751 HD13 LEU 98 3HD1 LEU 98 -5.089 1.075 11.764 752 HD21 LEU 98 3HD2 LEU 98 -7.146 3.305 9.653 753 HD22 LEU 98 1HD2 LEU 98 -6.499 3.794 11.220 754 HD23 LEU 98 2HD2 LEU 98 -7.175 2.180 11.009 755 H SER 99 H SER 99 -2.768 4.186 6.943 756 HA SER 99 HA SER 99 -2.022 6.871 7.431 757 HB2 SER 99 2HB SER 99 -0.408 5.059 6.873 758 HB3 SER 99 3HB SER 99 -1.023 5.052 5.222 759 HG SER 99 HG SER 99 -0.451 7.446 5.381 760 H LEU 100 H LEU 100 -3.761 5.362 4.753 761 HA LEU 100 HA LEU 100 -3.740 7.673 3.070 762 HB2 LEU 100 2HB LEU 100 -5.465 5.200 3.099 763 HB3 LEU 100 3HB LEU 100 -5.652 6.472 1.905 764 HG LEU 100 HG LEU 100 -3.134 4.847 2.324 765 HD11 LEU 100 1HD1 LEU 100 -4.953 3.490 1.419 766 HD12 LEU 100 2HD1 LEU 100 -3.699 3.770 0.211 767 HD13 LEU 100 3HD1 LEU 100 -5.212 4.677 0.139 768 HD21 LEU 100 3HD2 LEU 100 -2.670 7.085 1.482 769 HD22 LEU 100 1HD2 LEU 100 -3.865 6.871 0.201 770 HD23 LEU 100 2HD2 LEU 100 -2.401 5.883 0.220 771 H GLN 101 H GLN 101 -6.193 6.338 5.318 772 HA GLN 101 HA GLN 101 -8.122 8.344 4.769 773 HB2 GLN 101 2HB GLN 101 -9.259 7.579 6.824 774 HB3 GLN 101 3HB GLN 101 -8.818 6.254 5.757 775 HG2 GLN 101 2HG GLN 101 -6.893 5.747 7.175 776 HG3 GLN 101 3HG GLN 101 -7.327 7.082 8.242 777 HE21 GLN 101 1HE2 GLN 101 -9.088 6.859 9.613 778 HE22 GLN 101 2HE2 GLN 101 -9.825 5.329 9.927 779 H GLU 102 H GLU 102 -5.452 8.228 7.080 780 HA GLU 102 HA GLU 102 -6.253 10.677 8.379 781 HB2 GLU 102 2HB GLU 102 -4.184 10.546 9.603 782 HB3 GLU 102 3HB GLU 102 -4.898 8.941 9.538 783 HG2 GLU 102 2HG GLU 102 -3.354 8.334 7.736 784 HG3 GLU 102 3HG GLU 102 -2.633 9.939 7.821 785 H LEU 103 H LEU 103 -4.054 9.824 5.725 786 HA LEU 103 HA LEU 103 -2.700 12.274 5.514 787 HB2 LEU 103 2HB LEU 103 -1.983 10.268 4.311 788 HB3 LEU 103 3HB LEU 103 -3.425 10.333 3.312 789 HG LEU 103 HG LEU 103 -2.649 12.524 2.402 790 HD11 LEU 103 1HD1 LEU 103 -0.315 13.197 2.753 791 HD12 LEU 103 2HD1 LEU 103 -0.145 11.931 3.970 792 HD13 LEU 103 3HD1 LEU 103 -1.265 13.268 4.237 793 HD21 LEU 103 3HD2 LEU 103 -0.704 10.246 2.060 794 HD22 LEU 103 1HD2 LEU 103 -0.905 11.612 0.963 795 HD23 LEU 103 2HD2 LEU 103 -2.219 10.456 1.181 796 H GLN 104 H GLN 104 -5.705 11.210 3.931 797 HA GLN 104 HA GLN 104 -6.058 13.516 2.348 798 HB2 GLN 104 2HB GLN 104 -8.396 12.747 2.092 799 HB3 GLN 104 3HB GLN 104 -7.219 11.468 1.825 800 HG2 GLN 104 2HG GLN 104 -7.635 10.715 4.184 801 HG3 GLN 104 3HG GLN 104 -8.962 11.876 4.246 802 HE21 GLN 104 1HE2 GLN 104 -7.820 8.908 2.840 803 HE22 GLN 104 2HE2 GLN 104 -9.346 8.383 2.220 804 H VAL 105 H VAL 105 -6.848 12.915 5.717 805 HA VAL 105 HA VAL 105 -8.331 15.440 5.889 806 HB VAL 105 HB VAL 105 -8.870 14.842 8.179 807 HG11 VAL 105 1HG1 VAL 105 -10.196 12.831 7.774 808 HG12 VAL 105 2HG1 VAL 105 -9.246 12.479 6.332 809 HG13 VAL 105 3HG1 VAL 105 -10.262 13.920 6.387 810 HG21 VAL 105 3HG2 VAL 105 -6.773 13.777 8.841 811 HG22 VAL 105 1HG2 VAL 105 -7.111 12.412 7.776 812 HG23 VAL 105 2HG2 VAL 105 -8.139 12.713 9.177 813 H SER 106 H SER 106 -5.163 14.232 6.426 814 HA SER 106 HA SER 106 -4.410 16.593 8.042 815 HB2 SER 106 2HB SER 106 -3.841 14.403 9.056 816 HB3 SER 106 3HB SER 106 -2.879 14.001 7.634 817 HG SER 106 HG SER 106 -1.619 15.937 8.155 818 H SER 107 H SER 107 -4.744 16.249 5.006 819 HA SER 107 HA SER 107 -2.374 16.244 3.607 820 HB2 SER 107 2HB SER 107 -3.523 17.599 1.893 821 HB3 SER 107 3HB SER 107 -4.568 16.325 2.516 822 HG SER 107 HG SER 107 -5.291 18.720 2.319 823 H ALA 108 H ALA 108 -4.028 19.257 4.600 824 HA ALA 108 HA ALA 108 -3.262 21.287 5.273 825 HB1 ALA 108 3HB ALA 108 -1.307 21.311 6.743 826 HB2 ALA 108 1HB ALA 108 -0.889 19.679 6.217 827 HB3 ALA 108 2HB ALA 108 -2.380 19.963 7.116 828 H ALA 109 H ALA 109 -2.426 20.272 2.528 829 HA ALA 109 HA ALA 109 -0.721 22.461 1.826 830 HB1 ALA 109 3HB ALA 109 0.969 20.951 2.758 831 HB2 ALA 109 1HB ALA 109 1.199 21.181 1.023 832 HB3 ALA 109 2HB ALA 109 0.471 19.692 1.628 833 H ALA 110 H ALA 110 -0.574 22.817 -0.404 834 HA ALA 110 HA ALA 110 -2.540 21.392 -2.026 835 HB1 ALA 110 3HB ALA 110 -0.893 23.845 -2.657 836 HB2 ALA 110 1HB ALA 110 -2.532 23.844 -2.005 837 HB3 ALA 110 2HB ALA 110 -2.226 23.213 -3.624 838 H GLY 111 H GLY 111 -0.267 19.834 -1.410 839 HA2 GLY 111 2HA GLY 111 0.786 18.229 -2.826 840 HA3 GLY 111 3HA GLY 111 0.879 19.439 -4.095 841 H VAL 112 H VAL 112 1.877 19.802 -0.716 842 HA VAL 112 HA VAL 112 4.595 20.444 -1.623 843 HB VAL 112 HB VAL 112 3.316 20.935 1.081 844 HG11 VAL 112 1HG1 VAL 112 5.946 21.908 -0.058 845 HG12 VAL 112 2HG1 VAL 112 5.744 20.725 1.234 846 HG13 VAL 112 3HG1 VAL 112 5.255 22.400 1.488 847 HG21 VAL 112 3HG2 VAL 112 3.160 23.275 0.408 848 HG22 VAL 112 1HG2 VAL 112 2.264 22.254 -0.717 849 HG23 VAL 112 2HG2 VAL 112 3.847 22.888 -1.170 850 HA PRO 113 HA PRO 113 5.804 16.433 -0.005 851 HB2 PRO 113 2HB PRO 113 8.424 16.546 -0.653 852 HB3 PRO 113 3HB PRO 113 7.165 16.313 -1.871 853 HG2 PRO 113 2HG PRO 113 8.633 18.818 -1.122 854 HG3 PRO 113 3HG PRO 113 8.214 18.207 -2.733 855 HD2 PRO 113 2HD PRO 113 6.790 20.152 -1.434 856 HD3 PRO 113 3HD PRO 113 6.076 19.049 -2.628 857 H GLY 114 H GLY 114 6.535 15.717 1.957 858 HA2 GLY 114 2HA GLY 114 7.835 15.640 3.889 859 HA3 GLY 114 3HA GLY 114 8.589 17.152 3.421 860 H THR 115 H THR 115 5.446 17.901 3.180 861 HA THR 115 HA THR 115 5.370 19.532 5.451 862 HB THR 115 HB THR 115 3.960 20.032 3.549 863 HG1 THR 115 HG1 THR 115 2.842 20.983 5.074 864 HG21 THR 115 3HG2 THR 115 3.404 17.750 2.842 865 HG22 THR 115 1HG2 THR 115 1.947 18.722 3.041 866 HG23 THR 115 2HG2 THR 115 2.396 17.544 4.275 867 H ASN 116 H ASN 116 3.974 16.313 4.964 868 HA ASN 116 HA ASN 116 3.531 16.116 7.873 869 HB2 ASN 116 2HB ASN 116 1.690 15.267 5.637 870 HB3 ASN 116 3HB ASN 116 1.586 14.534 7.234 871 HD21 ASN 116 1HD2 ASN 116 1.077 17.420 5.373 872 HD22 ASN 116 2HD2 ASN 116 0.167 18.254 6.572 873 HA PRO 117 HA PRO 117 6.196 12.559 7.629 874 HB2 PRO 117 2HB PRO 117 5.225 11.187 9.824 875 HB3 PRO 117 3HB PRO 117 6.367 12.530 9.912 876 HG2 PRO 117 2HG PRO 117 3.392 12.553 10.288 877 HG3 PRO 117 3HG PRO 117 4.646 13.381 11.235 878 HD2 PRO 117 2HD PRO 117 3.190 14.697 9.408 879 HD3 PRO 117 3HD PRO 117 4.916 15.055 9.632 880 H VAL 118 H VAL 118 2.724 12.296 7.705 881 HA VAL 118 HA VAL 118 2.261 9.598 7.357 882 HB VAL 118 HB VAL 118 0.744 11.772 5.897 883 HG11 VAL 118 1HG1 VAL 118 0.141 9.512 5.220 884 HG12 VAL 118 2HG1 VAL 118 -1.168 10.247 6.146 885 HG13 VAL 118 3HG1 VAL 118 -0.113 9.056 6.905 886 HG21 VAL 118 3HG2 VAL 118 0.409 10.822 8.748 887 HG22 VAL 118 1HG2 VAL 118 -0.682 11.922 7.902 888 HG23 VAL 118 2HG2 VAL 118 0.980 12.410 8.236 889 H LEU 119 H LEU 119 3.421 11.924 4.987 890 HA LEU 119 HA LEU 119 3.112 10.387 2.646 891 HB2 LEU 119 2HB LEU 119 5.264 12.403 3.329 892 HB3 LEU 119 3HB LEU 119 4.911 11.810 1.716 893 HG LEU 119 HG LEU 119 3.000 13.410 3.432 894 HD11 LEU 119 1HD1 LEU 119 4.877 14.772 2.701 895 HD12 LEU 119 2HD1 LEU 119 3.407 15.226 1.841 896 HD13 LEU 119 3HD1 LEU 119 4.634 14.246 1.034 897 HD21 LEU 119 3HD2 LEU 119 2.777 12.520 0.555 898 HD22 LEU 119 1HD2 LEU 119 1.634 13.552 1.417 899 HD23 LEU 119 2HD2 LEU 119 1.853 11.874 1.912 900 H ASN 120 H ASN 120 5.762 10.560 4.997 901 HA ASN 120 HA ASN 120 7.437 8.649 3.701 902 HB2 ASN 120 2HB ASN 120 8.232 10.358 5.364 903 HB3 ASN 120 3HB ASN 120 7.426 9.435 6.630 904 HD21 ASN 120 1HD2 ASN 120 9.315 8.986 7.724 905 HD22 ASN 120 2HD2 ASN 120 10.507 7.897 7.118 906 H ASN 121 H ASN 121 4.983 8.469 6.243 907 HA ASN 121 HA ASN 121 5.232 5.792 6.979 908 HB2 ASN 121 2HB ASN 121 2.742 7.506 6.790 909 HB3 ASN 121 3HB ASN 121 2.803 5.937 7.589 910 HD21 ASN 121 1HD2 ASN 121 2.247 6.876 9.571 911 HD22 ASN 121 2HD2 ASN 121 3.371 7.822 10.476 912 H LEU 122 H LEU 122 3.237 7.193 4.358 913 HA LEU 122 HA LEU 122 2.249 4.799 3.306 914 HB2 LEU 122 2HB LEU 122 2.912 7.421 1.970 915 HB3 LEU 122 3HB LEU 122 2.184 6.084 1.100 916 HG LEU 122 HG LEU 122 0.957 7.540 3.450 917 HD11 LEU 122 1HD1 LEU 122 -0.678 8.311 1.780 918 HD12 LEU 122 2HD1 LEU 122 0.279 7.549 0.509 919 HD13 LEU 122 3HD1 LEU 122 0.951 8.889 1.440 920 HD21 LEU 122 3HD2 LEU 122 0.327 5.172 3.428 921 HD22 LEU 122 1HD2 LEU 122 -0.165 5.313 1.739 922 HD23 LEU 122 2HD2 LEU 122 -1.038 6.199 2.991 923 H LEU 123 H LEU 123 5.193 6.592 2.382 924 HA LEU 123 HA LEU 123 6.140 4.926 0.389 925 HB2 LEU 123 2HB LEU 123 7.120 7.111 1.021 926 HB3 LEU 123 3HB LEU 123 7.782 6.383 2.472 927 HG LEU 123 HG LEU 123 9.184 4.894 1.057 928 HD11 LEU 123 1HD1 LEU 123 9.425 5.400 -1.336 929 HD12 LEU 123 2HD1 LEU 123 8.081 6.539 -1.221 930 HD13 LEU 123 3HD1 LEU 123 7.808 4.819 -0.939 931 HD21 LEU 123 3HD2 LEU 123 10.122 6.965 1.930 932 HD22 LEU 123 1HD2 LEU 123 9.510 7.854 0.535 933 HD23 LEU 123 2HD2 LEU 123 10.762 6.631 0.321 934 H SER 124 H SER 124 6.960 4.744 3.865 935 HA SER 124 HA SER 124 8.529 2.421 3.751 936 HB2 SER 124 2HB SER 124 8.554 3.901 5.690 937 HB3 SER 124 3HB SER 124 6.875 3.498 6.050 938 HG SER 124 HG SER 124 8.575 2.347 7.260 939 H CYS 125 H CYS 125 5.047 2.747 4.499 940 HA CYS 125 HA CYS 125 4.557 0.019 5.015 941 HB2 CYS 125 2HB CYS 125 2.637 2.140 4.015 942 HB3 CYS 125 3HB CYS 125 2.164 0.571 4.659 943 HG CYS 125 HG CYS 125 2.850 3.374 6.264 944 H VAL 126 H VAL 126 4.092 1.898 2.019 945 HA VAL 126 HA VAL 126 3.038 -0.170 0.443 946 HB VAL 126 HB VAL 126 4.630 2.260 -0.411 947 HG11 VAL 126 1HG1 VAL 126 2.947 0.398 -2.101 948 HG12 VAL 126 2HG1 VAL 126 4.701 0.563 -2.171 949 HG13 VAL 126 3HG1 VAL 126 3.670 1.910 -2.650 950 HG21 VAL 126 3HG2 VAL 126 1.647 1.764 -0.372 951 HG22 VAL 126 1HG2 VAL 126 2.451 3.238 -0.912 952 HG23 VAL 126 2HG2 VAL 126 2.535 2.757 0.782 953 H GLN 127 H GLN 127 6.436 0.955 0.676 954 HA GLN 127 HA GLN 127 7.521 -0.928 -1.114 955 HB2 GLN 127 2HB GLN 127 8.829 0.462 1.238 956 HB3 GLN 127 3HB GLN 127 9.698 -0.436 -0.002 957 HG2 GLN 127 2HG GLN 127 8.873 1.133 -1.703 958 HG3 GLN 127 3HG GLN 127 8.033 2.040 -0.447 959 HE21 GLN 127 1HE2 GLN 127 10.121 2.908 -2.273 960 HE22 GLN 127 2HE2 GLN 127 11.419 3.474 -1.287 961 H GLU 128 H GLU 128 6.731 -1.187 2.296 962 HA GLU 128 HA GLU 128 8.006 -3.701 2.743 963 HB2 GLU 128 2HB GLU 128 7.359 -2.200 4.580 964 HB3 GLU 128 3HB GLU 128 5.662 -2.428 4.182 965 HG2 GLU 128 2HG GLU 128 6.245 -3.761 6.103 966 HG3 GLU 128 3HG GLU 128 5.855 -4.811 4.743 967 H ILE 129 H ILE 129 4.622 -2.812 2.002 968 HA ILE 129 HA ILE 129 3.488 -5.350 1.927 969 HB ILE 129 HB ILE 129 2.815 -2.946 0.208 970 HG12 ILE 129 2HG1 ILE 129 1.580 -3.975 2.782 971 HG13 ILE 129 3HG1 ILE 129 2.622 -2.563 2.639 972 HG21 ILE 129 1HG2 ILE 129 1.935 -4.988 -0.812 973 HG22 ILE 129 2HG2 ILE 129 0.630 -4.000 -0.157 974 HG23 ILE 129 3HG2 ILE 129 1.171 -5.434 0.715 975 HD11 ILE 129 3HD1 ILE 129 -0.103 -2.892 1.402 976 HD12 ILE 129 1HD1 ILE 129 0.942 -1.481 1.227 977 HD13 ILE 129 2HD1 ILE 129 0.299 -1.913 2.812 978 H SER 130 H SER 130 4.862 -3.536 -0.843 979 HA SER 130 HA SER 130 4.575 -5.550 -2.775 980 HB2 SER 130 2HB SER 130 6.323 -4.354 -4.047 981 HB3 SER 130 3HB SER 130 5.159 -3.225 -3.356 982 HG SER 130 HG SER 130 7.183 -2.425 -2.948 983 H ASP 131 H ASP 131 7.278 -4.858 -0.582 984 HA ASP 131 HA ASP 131 9.041 -6.849 -1.425 985 HB2 ASP 131 2HB ASP 131 9.669 -5.055 0.126 986 HB3 ASP 131 3HB ASP 131 8.638 -5.755 1.370 987 H VAL 132 H VAL 132 6.434 -7.055 1.020 988 HA VAL 132 HA VAL 132 6.808 -9.738 1.757 989 HB VAL 132 HB VAL 132 4.193 -8.209 1.590 990 HG11 VAL 132 1HG1 VAL 132 4.884 -10.756 3.063 991 HG12 VAL 132 2HG1 VAL 132 3.776 -10.596 1.700 992 HG13 VAL 132 3HG1 VAL 132 3.381 -9.853 3.250 993 HG21 VAL 132 3HG2 VAL 132 5.798 -7.094 3.046 994 HG22 VAL 132 1HG2 VAL 132 6.102 -8.604 3.904 995 HG23 VAL 132 2HG2 VAL 132 4.519 -7.833 4.009 996 H VAL 133 H VAL 133 4.915 -8.329 -0.886 997 HA VAL 133 HA VAL 133 3.890 -10.740 -1.947 998 HB VAL 133 HB VAL 133 4.482 -8.143 -3.402 999 HG11 VAL 133 1HG1 VAL 133 2.668 -10.443 -4.144 1000 HG12 VAL 133 2HG1 VAL 133 4.143 -9.954 -4.978 1001 HG13 VAL 133 3HG1 VAL 133 2.735 -8.892 -4.984 1002 HG21 VAL 133 3HG2 VAL 133 3.015 -7.815 -1.470 1003 HG22 VAL 133 1HG2 VAL 133 1.943 -9.087 -2.059 1004 HG23 VAL 133 2HG2 VAL 133 2.133 -7.594 -2.981 1005 H GLN 134 H GLN 134 7.014 -9.231 -2.182 1006 HA GLN 134 HA GLN 134 7.885 -10.861 -4.427 1007 HB2 GLN 134 2HB GLN 134 9.391 -8.924 -2.662 1008 HB3 GLN 134 3HB GLN 134 10.090 -9.762 -4.039 1009 HG2 GLN 134 2HG GLN 134 8.485 -8.643 -5.523 1010 HG3 GLN 134 3HG GLN 134 7.817 -7.781 -4.137 1011 HE21 GLN 134 1HE2 GLN 134 8.357 -5.771 -4.986 1012 HE22 GLN 134 2HE2 GLN 134 9.986 -5.207 -5.058 1013 H ARG 135 H ARG 135 7.241 -11.817 -1.452 1014 HA ARG 135 HA ARG 135 9.722 -13.357 -1.032 1015 HB2 ARG 135 2HB ARG 135 7.365 -13.005 0.838 1016 HB3 ARG 135 3HB ARG 135 8.889 -13.798 1.223 1017 HG2 ARG 135 2HG ARG 135 10.082 -11.706 0.976 1018 HG3 ARG 135 3HG ARG 135 8.598 -10.890 0.483 1019 HD2 ARG 135 2HD ARG 135 7.628 -11.511 2.717 1020 HD3 ARG 135 3HD ARG 135 9.235 -12.071 3.184 1021 HE ARG 135 HE ARG 135 9.648 -9.522 2.312 1022 HH11 ARG 135 1HH1 ARG 135 7.614 -10.953 4.691 1023 HH12 ARG 135 2HH1 ARG 135 7.542 -9.523 5.658 1024 HH21 ARG 135 1HH2 ARG 135 9.543 -7.691 3.549 1025 HH22 ARG 135 2HH2 ARG 135 8.610 -7.683 5.005 Start of MODEL 15 1 H1 MET 1 1H MET 1 -48.572 -45.372 4.033 2 H2 MET 1 2H MET 1 -47.259 -45.558 5.080 3 H3 MET 1 3H MET 1 -46.999 -45.115 3.470 4 HA MET 1 HA MET 1 -48.041 -43.011 3.790 5 HB2 MET 1 2HB MET 1 -48.849 -42.312 6.003 6 HB3 MET 1 3HB MET 1 -49.732 -43.714 5.417 7 HG2 MET 1 2HG MET 1 -48.342 -45.160 6.850 8 HG3 MET 1 3HG MET 1 -47.533 -43.724 7.478 9 HE1 MET 1 3HE MET 1 -49.776 -44.892 10.487 10 HE2 MET 1 1HE MET 1 -48.136 -44.541 9.945 11 HE3 MET 1 2HE MET 1 -48.991 -45.946 9.310 12 H GLY 2 H GLY 2 -46.666 -41.309 4.123 13 HA2 GLY 2 2HA GLY 2 -44.840 -40.848 6.109 14 HA3 GLY 2 3HA GLY 2 -43.986 -41.918 5.009 15 H HIS 3 H HIS 3 -45.610 -38.803 5.274 16 HA HIS 3 HA HIS 3 -45.353 -37.779 2.738 17 HB2 HIS 3 2HB HIS 3 -46.575 -36.627 4.480 18 HB3 HIS 3 3HB HIS 3 -45.097 -36.349 5.392 19 HD1 HIS 3 HD1 HIS 3 -46.863 -35.226 2.249 20 HD2 HIS 3 HD2 HIS 3 -43.695 -34.075 4.682 21 HE1 HIS 3 HE1 HIS 3 -46.190 -32.950 1.448 22 HE2 HIS 3 HE2 HIS 3 -44.409 -32.202 3.046 23 H HIS 4 H HIS 4 -42.924 -37.596 5.323 24 HA HIS 4 HA HIS 4 -41.017 -36.054 3.946 25 HB2 HIS 4 2HB HIS 4 -39.417 -36.899 5.653 26 HB3 HIS 4 3HB HIS 4 -40.922 -36.307 6.346 27 HD1 HIS 4 HD1 HIS 4 -38.900 -39.410 5.909 28 HD2 HIS 4 HD2 HIS 4 -42.560 -38.282 7.523 29 HE1 HIS 4 HE1 HIS 4 -39.680 -41.377 7.255 30 HE2 HIS 4 HE2 HIS 4 -41.805 -40.610 8.349 31 H HIS 5 H HIS 5 -41.792 -39.408 3.557 32 HA HIS 5 HA HIS 5 -39.172 -40.018 2.377 33 HB2 HIS 5 2HB HIS 5 -40.152 -41.601 4.038 34 HB3 HIS 5 3HB HIS 5 -41.492 -41.886 2.934 35 HD1 HIS 5 HD1 HIS 5 -41.125 -43.552 1.064 36 HD2 HIS 5 HD2 HIS 5 -37.637 -42.656 3.136 37 HE1 HIS 5 HE1 HIS 5 -39.422 -45.207 0.261 38 HE2 HIS 5 HE2 HIS 5 -37.377 -44.753 1.644 39 H HIS 6 H HIS 6 -38.907 -39.797 0.249 40 HA HIS 6 HA HIS 6 -39.242 -39.724 -1.987 41 HB2 HIS 6 2HB HIS 6 -40.102 -42.017 -1.743 42 HB3 HIS 6 3HB HIS 6 -41.715 -41.386 -1.425 43 HD1 HIS 6 HD1 HIS 6 -43.082 -40.554 -3.455 44 HD2 HIS 6 HD2 HIS 6 -39.271 -41.889 -4.437 45 HE1 HIS 6 HE1 HIS 6 -43.057 -40.732 -5.956 46 HE2 HIS 6 HE2 HIS 6 -40.692 -41.346 -6.530 47 H HIS 7 H HIS 7 -39.600 -37.666 -2.558 48 HA HIS 7 HA HIS 7 -42.324 -36.748 -2.938 49 HB2 HIS 7 2HB HIS 7 -41.904 -34.586 -1.707 50 HB3 HIS 7 3HB HIS 7 -42.066 -36.003 -0.678 51 HD1 HIS 7 HD1 HIS 7 -40.278 -33.088 -0.604 52 HD2 HIS 7 HD2 HIS 7 -39.070 -37.056 -0.405 53 HE1 HIS 7 HE1 HIS 7 -38.033 -33.054 0.509 54 HE2 HIS 7 HE2 HIS 7 -37.392 -35.468 0.762 55 H HIS 8 H HIS 8 -42.248 -36.202 -5.008 56 HA HIS 8 HA HIS 8 -39.810 -35.208 -6.238 57 HB2 HIS 8 2HB HIS 8 -41.220 -36.928 -7.332 58 HB3 HIS 8 3HB HIS 8 -42.532 -35.761 -7.453 59 HD1 HIS 8 HD1 HIS 8 -42.369 -33.988 -9.317 60 HD2 HIS 8 HD2 HIS 8 -39.099 -36.553 -9.147 61 HE1 HIS 8 HE1 HIS 8 -41.097 -33.603 -11.449 62 HE2 HIS 8 HE2 HIS 8 -39.091 -35.107 -11.296 63 H SER 9 H SER 9 -39.470 -33.182 -7.085 64 HA SER 9 HA SER 9 -40.972 -30.982 -6.076 65 HB2 SER 9 2HB SER 9 -38.858 -31.041 -8.256 66 HB3 SER 9 3HB SER 9 -39.475 -29.585 -7.481 67 HG SER 9 HG SER 9 -37.619 -30.112 -6.425 68 H HIS 10 H HIS 10 -42.722 -29.975 -6.916 69 HA HIS 10 HA HIS 10 -43.865 -30.847 -9.400 70 HB2 HIS 10 2HB HIS 10 -45.253 -30.126 -7.466 71 HB3 HIS 10 3HB HIS 10 -44.666 -28.479 -7.684 72 HD1 HIS 10 HD1 HIS 10 -47.036 -30.978 -9.088 73 HD2 HIS 10 HD2 HIS 10 -45.715 -27.137 -9.963 74 HE1 HIS 10 HE1 HIS 10 -48.615 -30.105 -10.830 75 HE2 HIS 10 HE2 HIS 10 -47.856 -27.752 -11.279 76 H MET 11 H MET 11 -42.970 -30.255 -11.285 77 HA MET 11 HA MET 11 -41.421 -27.902 -11.655 78 HB2 MET 11 2HB MET 11 -41.489 -28.528 -14.081 79 HB3 MET 11 3HB MET 11 -40.946 -29.815 -13.015 80 HG2 MET 11 2HG MET 11 -43.165 -30.845 -13.131 81 HG3 MET 11 3HG MET 11 -43.698 -29.562 -14.218 82 HE1 MET 11 3HE MET 11 -41.294 -32.628 -13.747 83 HE2 MET 11 1HE MET 11 -40.160 -31.340 -14.157 84 HE3 MET 11 2HE MET 11 -40.440 -32.661 -15.291 85 H ALA 12 H ALA 12 -42.286 -25.926 -11.547 86 HA ALA 12 HA ALA 12 -44.869 -25.413 -12.888 87 HB1 ALA 12 3HB ALA 12 -43.642 -23.916 -10.572 88 HB2 ALA 12 1HB ALA 12 -44.950 -25.093 -10.463 89 HB3 ALA 12 2HB ALA 12 -45.202 -23.574 -11.323 90 H ASN 13 H ASN 13 -45.020 -22.856 -13.311 91 HA ASN 13 HA ASN 13 -42.825 -22.273 -15.158 92 HB2 ASN 13 2HB ASN 13 -45.516 -20.925 -14.820 93 HB3 ASN 13 3HB ASN 13 -44.366 -20.620 -16.118 94 HD21 ASN 13 1HD2 ASN 13 -47.159 -21.656 -16.104 95 HD22 ASN 13 2HD2 ASN 13 -47.091 -23.143 -16.978 96 H GLY 14 H GLY 14 -41.290 -20.791 -14.731 97 HA2 GLY 14 2HA GLY 14 -41.234 -18.294 -13.999 98 HA3 GLY 14 3HA GLY 14 -41.665 -18.973 -12.437 99 H ALA 15 H ALA 15 -39.129 -18.509 -14.771 100 HA ALA 15 HA ALA 15 -37.170 -19.769 -12.940 101 HB1 ALA 15 3HB ALA 15 -35.758 -20.137 -14.900 102 HB2 ALA 15 1HB ALA 15 -36.967 -19.369 -15.929 103 HB3 ALA 15 2HB ALA 15 -37.339 -20.889 -15.115 104 H ALA 16 H ALA 16 -38.146 -17.017 -12.724 105 HA ALA 16 HA ALA 16 -36.375 -15.129 -13.820 106 HB1 ALA 16 3HB ALA 16 -37.928 -14.975 -11.234 107 HB2 ALA 16 1HB ALA 16 -38.520 -14.515 -12.829 108 HB3 ALA 16 2HB ALA 16 -37.202 -13.609 -12.084 109 H GLY 17 H GLY 17 -34.329 -14.552 -13.348 110 HA2 GLY 17 2HA GLY 17 -32.666 -16.060 -11.674 111 HA3 GLY 17 3HA GLY 17 -32.256 -14.500 -12.359 112 H THR 18 H THR 18 -34.788 -13.552 -10.790 113 HA THR 18 HA THR 18 -33.482 -12.423 -8.569 114 HB THR 18 HB THR 18 -36.472 -12.849 -8.891 115 HG1 THR 18 HG1 THR 18 -35.952 -10.423 -9.579 116 HG21 THR 18 3HG2 THR 18 -36.664 -10.825 -7.496 117 HG22 THR 18 1HG2 THR 18 -34.910 -10.786 -7.315 118 HG23 THR 18 2HG2 THR 18 -35.836 -12.124 -6.635 119 H LYS 19 H LYS 19 -34.692 -15.591 -8.997 120 HA LYS 19 HA LYS 19 -35.376 -16.230 -6.311 121 HB2 LYS 19 2HB LYS 19 -35.229 -18.562 -7.022 122 HB3 LYS 19 3HB LYS 19 -36.089 -17.607 -8.220 123 HG2 LYS 19 2HG LYS 19 -34.120 -17.554 -9.640 124 HG3 LYS 19 3HG LYS 19 -33.188 -18.422 -8.423 125 HD2 LYS 19 2HD LYS 19 -35.614 -19.486 -9.883 126 HD3 LYS 19 3HD LYS 19 -33.937 -19.907 -10.234 127 HE2 LYS 19 2HE LYS 19 -33.724 -20.818 -7.937 128 HE3 LYS 19 3HE LYS 19 -35.434 -20.472 -7.669 129 HZ1 LYS 19 3HZ LYS 19 -35.103 -22.774 -8.286 130 HZ2 LYS 19 1HZ LYS 19 -34.329 -22.316 -9.719 131 HZ3 LYS 19 2HZ LYS 19 -35.969 -21.971 -9.495 132 H VAL 20 H VAL 20 -32.320 -15.845 -7.904 133 HA VAL 20 HA VAL 20 -30.882 -17.444 -5.924 134 HB VAL 20 HB VAL 20 -29.741 -15.906 -8.270 135 HG11 VAL 20 1HG1 VAL 20 -28.085 -16.373 -6.552 136 HG12 VAL 20 2HG1 VAL 20 -27.787 -17.372 -7.975 137 HG13 VAL 20 3HG1 VAL 20 -28.540 -18.078 -6.544 138 HG21 VAL 20 3HG2 VAL 20 -29.658 -18.061 -9.439 139 HG22 VAL 20 1HG2 VAL 20 -31.314 -17.598 -9.055 140 HG23 VAL 20 2HG2 VAL 20 -30.498 -18.830 -8.091 141 H ALA 21 H ALA 21 -31.457 -16.019 -4.135 142 HA ALA 21 HA ALA 21 -30.437 -13.350 -3.984 143 HB1 ALA 21 3HB ALA 21 -31.287 -15.184 -1.740 144 HB2 ALA 21 1HB ALA 21 -32.349 -14.103 -2.644 145 HB3 ALA 21 2HB ALA 21 -31.064 -13.437 -1.637 146 H LEU 22 H LEU 22 -29.118 -16.492 -3.276 147 HA LEU 22 HA LEU 22 -26.987 -15.595 -1.576 148 HB2 LEU 22 2HB LEU 22 -27.408 -18.209 -3.033 149 HB3 LEU 22 3HB LEU 22 -26.135 -17.920 -1.861 150 HG LEU 22 HG LEU 22 -29.107 -17.866 -1.295 151 HD11 LEU 22 1HD1 LEU 22 -28.681 -19.886 0.007 152 HD12 LEU 22 2HD1 LEU 22 -26.983 -19.850 -0.470 153 HD13 LEU 22 3HD1 LEU 22 -28.234 -20.120 -1.684 154 HD21 LEU 22 3HD2 LEU 22 -27.903 -16.255 0.092 155 HD22 LEU 22 1HD2 LEU 22 -26.761 -17.508 0.579 156 HD23 LEU 22 2HD2 LEU 22 -28.456 -17.623 1.055 157 H ARG 23 H ARG 23 -27.173 -14.395 -4.335 158 HA ARG 23 HA ARG 23 -24.877 -15.313 -5.797 159 HB2 ARG 23 2HB ARG 23 -25.316 -13.365 -7.245 160 HB3 ARG 23 3HB ARG 23 -26.781 -14.292 -6.944 161 HG2 ARG 23 2HG ARG 23 -27.515 -12.658 -5.302 162 HG3 ARG 23 3HG ARG 23 -26.021 -11.747 -5.513 163 HD2 ARG 23 2HD ARG 23 -27.698 -10.635 -6.772 164 HD3 ARG 23 3HD ARG 23 -26.647 -11.453 -7.926 165 HE ARG 23 HE ARG 23 -28.952 -13.009 -7.207 166 HH11 ARG 23 1HH1 ARG 23 -27.757 -10.534 -9.285 167 HH12 ARG 23 2HH1 ARG 23 -29.037 -10.725 -10.432 168 HH21 ARG 23 1HH2 ARG 23 -30.591 -13.255 -8.700 169 HH22 ARG 23 2HH2 ARG 23 -30.605 -12.272 -10.123 170 H LYS 24 H LYS 24 -24.297 -14.584 -3.037 171 HA LYS 24 HA LYS 24 -22.760 -12.091 -3.209 172 HB2 LYS 24 2HB LYS 24 -23.217 -13.858 -0.793 173 HB3 LYS 24 3HB LYS 24 -22.593 -12.218 -0.802 174 HG2 LYS 24 2HG LYS 24 -25.397 -13.039 -1.556 175 HG3 LYS 24 3HG LYS 24 -24.903 -12.305 -0.031 176 HD2 LYS 24 2HD LYS 24 -24.076 -10.331 -1.367 177 HD3 LYS 24 3HD LYS 24 -24.850 -11.054 -2.780 178 HE2 LYS 24 2HE LYS 24 -26.235 -10.231 -0.218 179 HE3 LYS 24 3HE LYS 24 -26.290 -9.367 -1.753 180 HZ1 LYS 24 3HZ LYS 24 -27.433 -11.206 -2.749 181 HZ2 LYS 24 1HZ LYS 24 -28.259 -10.744 -1.351 182 HZ3 LYS 24 2HZ LYS 24 -27.296 -12.132 -1.339 183 H THR 25 H THR 25 -22.346 -15.533 -3.053 184 HA THR 25 HA THR 25 -19.579 -15.417 -2.150 185 HB THR 25 HB THR 25 -20.977 -17.199 -1.264 186 HG1 THR 25 HG1 THR 25 -18.879 -17.852 -1.384 187 HG21 THR 25 3HG2 THR 25 -22.499 -17.451 -3.198 188 HG22 THR 25 1HG2 THR 25 -21.844 -19.000 -2.669 189 HG23 THR 25 2HG2 THR 25 -21.197 -18.214 -4.109 190 H LYS 26 H LYS 26 -18.043 -17.039 -3.345 191 HA LYS 26 HA LYS 26 -17.589 -16.002 -5.966 192 HB2 LYS 26 2HB LYS 26 -16.256 -18.309 -4.524 193 HB3 LYS 26 3HB LYS 26 -15.686 -17.591 -6.025 194 HG2 LYS 26 2HG LYS 26 -15.327 -15.456 -4.864 195 HG3 LYS 26 3HG LYS 26 -15.884 -16.189 -3.355 196 HD2 LYS 26 2HD LYS 26 -14.032 -17.786 -3.435 197 HD3 LYS 26 3HD LYS 26 -13.494 -17.107 -4.972 198 HE2 LYS 26 2HE LYS 26 -13.067 -14.956 -3.866 199 HE3 LYS 26 3HE LYS 26 -13.602 -15.638 -2.331 200 HZ1 LYS 26 3HZ LYS 26 -11.784 -17.232 -2.460 201 HZ2 LYS 26 1HZ LYS 26 -11.202 -15.646 -2.493 202 HZ3 LYS 26 2HZ LYS 26 -11.267 -16.554 -3.915 203 H GLN 27 H GLN 27 -17.416 -17.257 -7.932 204 HA GLN 27 HA GLN 27 -19.082 -19.683 -8.007 205 HB2 GLN 27 2HB GLN 27 -20.182 -18.866 -10.065 206 HB3 GLN 27 3HB GLN 27 -20.535 -17.867 -8.663 207 HG2 GLN 27 2HG GLN 27 -18.757 -16.283 -9.453 208 HG3 GLN 27 3HG GLN 27 -18.657 -17.237 -10.933 209 HE21 GLN 27 1HE2 GLN 27 -20.588 -15.037 -9.068 210 HE22 GLN 27 2HE2 GLN 27 -21.734 -14.677 -10.310 211 H ALA 28 H ALA 28 -16.750 -17.684 -9.833 212 HA ALA 28 HA ALA 28 -15.176 -19.959 -10.537 213 HB1 ALA 28 3HB ALA 28 -17.022 -20.259 -12.148 214 HB2 ALA 28 1HB ALA 28 -15.489 -19.928 -12.950 215 HB3 ALA 28 2HB ALA 28 -16.698 -18.654 -12.803 216 H ALA 29 H ALA 29 -13.214 -19.387 -11.688 217 HA ALA 29 HA ALA 29 -12.079 -16.944 -10.894 218 HB1 ALA 29 3HB ALA 29 -10.158 -17.569 -12.233 219 HB2 ALA 29 1HB ALA 29 -11.123 -18.761 -13.110 220 HB3 ALA 29 2HB ALA 29 -10.787 -18.986 -11.395 221 H GLU 30 H GLU 30 -14.042 -17.665 -13.599 222 HA GLU 30 HA GLU 30 -13.183 -15.641 -15.394 223 HB2 GLU 30 2HB GLU 30 -15.942 -16.874 -15.184 224 HB3 GLU 30 3HB GLU 30 -15.257 -16.068 -16.587 225 HG2 GLU 30 2HG GLU 30 -14.358 -18.685 -15.394 226 HG3 GLU 30 3HG GLU 30 -15.234 -18.456 -16.907 227 H LYS 31 H LYS 31 -14.709 -15.337 -12.410 228 HA LYS 31 HA LYS 31 -15.604 -12.612 -13.068 229 HB2 LYS 31 2HB LYS 31 -17.547 -14.194 -13.172 230 HB3 LYS 31 3HB LYS 31 -17.292 -14.553 -11.470 231 HG2 LYS 31 2HG LYS 31 -19.081 -12.964 -11.701 232 HG3 LYS 31 3HG LYS 31 -17.703 -12.183 -10.928 233 HD2 LYS 31 2HD LYS 31 -18.528 -10.623 -12.509 234 HD3 LYS 31 3HD LYS 31 -17.071 -11.306 -13.227 235 HE2 LYS 31 2HE LYS 31 -19.857 -12.295 -13.856 236 HE3 LYS 31 3HE LYS 31 -19.049 -11.031 -14.776 237 HZ1 LYS 31 3HZ LYS 31 -18.113 -13.832 -14.463 238 HZ2 LYS 31 1HZ LYS 31 -17.287 -12.622 -15.312 239 HZ3 LYS 31 2HZ LYS 31 -18.798 -13.155 -15.850 240 H ILE 32 H ILE 32 -14.135 -14.770 -10.825 241 HA ILE 32 HA ILE 32 -14.456 -13.178 -8.465 242 HB ILE 32 HB ILE 32 -12.383 -15.309 -9.054 243 HG12 ILE 32 2HG1 ILE 32 -14.976 -15.556 -7.497 244 HG13 ILE 32 3HG1 ILE 32 -14.784 -16.061 -9.172 245 HG21 ILE 32 1HG2 ILE 32 -13.244 -14.089 -6.420 246 HG22 ILE 32 2HG2 ILE 32 -11.688 -13.862 -7.218 247 HG23 ILE 32 3HG2 ILE 32 -12.138 -15.452 -6.606 248 HD11 ILE 32 3HD1 ILE 32 -13.292 -17.174 -6.806 249 HD12 ILE 32 1HD1 ILE 32 -13.082 -17.676 -8.485 250 HD13 ILE 32 2HD1 ILE 32 -14.620 -17.948 -7.669 251 H SER 33 H SER 33 -13.267 -11.512 -7.721 252 HA SER 33 HA SER 33 -11.424 -10.134 -9.371 253 HB2 SER 33 2HB SER 33 -11.088 -8.678 -7.377 254 HB3 SER 33 3HB SER 33 -12.792 -8.949 -7.736 255 HG SER 33 HG SER 33 -12.333 -9.196 -5.501 256 H ALA 34 H ALA 34 -10.943 -12.056 -6.413 257 HA ALA 34 HA ALA 34 -8.271 -11.649 -5.928 258 HB1 ALA 34 3HB ALA 34 -8.277 -13.808 -4.774 259 HB2 ALA 34 1HB ALA 34 -9.789 -14.237 -5.577 260 HB3 ALA 34 2HB ALA 34 -9.745 -12.890 -4.439 261 H ASP 35 H ASP 35 -9.602 -14.267 -7.970 262 HA ASP 35 HA ASP 35 -7.111 -15.345 -8.734 263 HB2 ASP 35 2HB ASP 35 -9.802 -15.491 -10.109 264 HB3 ASP 35 3HB ASP 35 -8.414 -16.498 -10.512 265 H LYS 36 H LYS 36 -8.771 -12.533 -9.864 266 HA LYS 36 HA LYS 36 -7.322 -12.363 -12.365 267 HB2 LYS 36 2HB LYS 36 -9.569 -11.436 -12.229 268 HB3 LYS 36 3HB LYS 36 -9.090 -10.365 -10.924 269 HG2 LYS 36 2HG LYS 36 -7.648 -10.145 -13.528 270 HG3 LYS 36 3HG LYS 36 -9.296 -9.526 -13.427 271 HD2 LYS 36 2HD LYS 36 -8.685 -8.020 -11.644 272 HD3 LYS 36 3HD LYS 36 -7.078 -8.738 -11.525 273 HE2 LYS 36 2HE LYS 36 -7.028 -6.593 -12.709 274 HE3 LYS 36 3HE LYS 36 -6.522 -7.919 -13.750 275 HZ1 LYS 36 3HZ LYS 36 -9.234 -6.704 -13.741 276 HZ2 LYS 36 1HZ LYS 36 -8.686 -7.916 -14.785 277 HZ3 LYS 36 2HZ LYS 36 -8.021 -6.365 -14.865 278 H ILE 37 H ILE 37 -6.944 -11.179 -9.087 279 HA ILE 37 HA ILE 37 -5.079 -9.106 -9.617 280 HB ILE 37 HB ILE 37 -5.336 -10.712 -7.062 281 HG12 ILE 37 2HG1 ILE 37 -7.513 -9.784 -7.685 282 HG13 ILE 37 3HG1 ILE 37 -6.862 -8.922 -6.297 283 HG21 ILE 37 1HG2 ILE 37 -3.295 -9.393 -7.154 284 HG22 ILE 37 2HG2 ILE 37 -4.421 -8.692 -5.990 285 HG23 ILE 37 3HG2 ILE 37 -4.220 -7.950 -7.578 286 HD11 ILE 37 3HD1 ILE 37 -6.168 -7.095 -7.787 287 HD12 ILE 37 1HD1 ILE 37 -7.906 -7.392 -7.838 288 HD13 ILE 37 2HD1 ILE 37 -6.877 -7.961 -9.150 289 H SER 38 H SER 38 -3.106 -9.358 -10.474 290 HA SER 38 HA SER 38 -1.601 -11.849 -9.964 291 HB2 SER 38 2HB SER 38 -1.220 -9.786 -12.158 292 HB3 SER 38 3HB SER 38 -0.297 -11.277 -11.980 293 HG SER 38 HG SER 38 -2.953 -11.796 -11.969 294 H LYS 39 H LYS 39 0.547 -11.805 -9.295 295 HA LYS 39 HA LYS 39 1.387 -9.912 -7.463 296 HB2 LYS 39 2HB LYS 39 2.343 -12.125 -7.519 297 HB3 LYS 39 3HB LYS 39 3.006 -11.855 -9.124 298 HG2 LYS 39 2HG LYS 39 4.643 -10.344 -8.290 299 HG3 LYS 39 3HG LYS 39 3.862 -10.265 -6.710 300 HD2 LYS 39 2HD LYS 39 4.418 -12.600 -6.289 301 HD3 LYS 39 3HD LYS 39 5.121 -12.747 -7.900 302 HE2 LYS 39 2HE LYS 39 6.143 -10.781 -5.851 303 HE3 LYS 39 3HE LYS 39 6.748 -12.430 -5.965 304 HZ1 LYS 39 3HZ LYS 39 6.786 -10.508 -8.231 305 HZ2 LYS 39 1HZ LYS 39 7.528 -12.022 -8.161 306 HZ3 LYS 39 2HZ LYS 39 8.096 -10.758 -7.191 307 H GLU 40 H GLU 40 2.472 -10.192 -10.856 308 HA GLU 40 HA GLU 40 4.185 -8.031 -11.001 309 HB2 GLU 40 2HB GLU 40 3.578 -7.966 -13.443 310 HB3 GLU 40 3HB GLU 40 4.027 -9.552 -12.833 311 HG2 GLU 40 2HG GLU 40 1.589 -10.078 -12.622 312 HG3 GLU 40 3HG GLU 40 1.248 -8.551 -13.431 313 H ALA 41 H ALA 41 0.650 -7.984 -11.483 314 HA ALA 41 HA ALA 41 0.417 -5.273 -12.188 315 HB1 ALA 41 3HB ALA 41 -1.957 -5.519 -11.691 316 HB2 ALA 41 1HB ALA 41 -1.636 -7.027 -10.837 317 HB3 ALA 41 2HB ALA 41 -1.355 -6.921 -12.576 318 H LEU 42 H LEU 42 0.110 -6.862 -9.015 319 HA LEU 42 HA LEU 42 -0.577 -4.586 -7.516 320 HB2 LEU 42 2HB LEU 42 -0.656 -7.058 -6.845 321 HB3 LEU 42 3HB LEU 42 1.050 -6.915 -6.476 322 HG LEU 42 HG LEU 42 -1.067 -5.203 -5.152 323 HD11 LEU 42 1HD1 LEU 42 -0.913 -6.717 -3.237 324 HD12 LEU 42 2HD1 LEU 42 0.138 -7.787 -4.163 325 HD13 LEU 42 3HD1 LEU 42 -1.535 -7.542 -4.667 326 HD21 LEU 42 3HD2 LEU 42 0.660 -4.855 -3.440 327 HD22 LEU 42 1HD2 LEU 42 1.182 -4.279 -5.022 328 HD23 LEU 42 2HD2 LEU 42 1.795 -5.809 -4.395 329 H LEU 43 H LEU 43 2.623 -6.056 -8.111 330 HA LEU 43 HA LEU 43 4.166 -4.268 -6.626 331 HB2 LEU 43 2HB LEU 43 4.878 -5.811 -9.120 332 HB3 LEU 43 3HB LEU 43 6.047 -4.963 -8.122 333 HG LEU 43 HG LEU 43 4.324 -7.288 -7.232 334 HD11 LEU 43 1HD1 LEU 43 6.407 -8.548 -7.160 335 HD12 LEU 43 2HD1 LEU 43 7.291 -7.151 -7.775 336 HD13 LEU 43 3HD1 LEU 43 6.089 -7.951 -8.789 337 HD21 LEU 43 3HD2 LEU 43 6.485 -5.781 -5.748 338 HD22 LEU 43 1HD2 LEU 43 5.670 -7.239 -5.180 339 HD23 LEU 43 2HD2 LEU 43 4.758 -5.745 -5.390 340 H GLU 44 H GLU 44 3.290 -4.102 -10.089 341 HA GLU 44 HA GLU 44 4.669 -1.755 -10.731 342 HB2 GLU 44 2HB GLU 44 2.080 -2.836 -11.861 343 HB3 GLU 44 3HB GLU 44 2.972 -1.495 -12.563 344 HG2 GLU 44 2HG GLU 44 3.933 -4.336 -12.277 345 HG3 GLU 44 3HG GLU 44 3.453 -3.528 -13.768 346 H CYS 45 H CYS 45 1.281 -2.105 -9.652 347 HA CYS 45 HA CYS 45 0.694 0.661 -9.654 348 HB2 CYS 45 2HB CYS 45 -0.585 -1.577 -8.071 349 HB3 CYS 45 3HB CYS 45 -1.247 0.047 -8.231 350 HG CYS 45 HG CYS 45 -1.519 -0.182 -11.055 351 H ALA 46 H ALA 46 2.034 -1.453 -7.163 352 HA ALA 46 HA ALA 46 1.945 0.404 -5.027 353 HB1 ALA 46 3HB ALA 46 3.606 -1.045 -3.951 354 HB2 ALA 46 1HB ALA 46 3.849 -1.897 -5.478 355 HB3 ALA 46 2HB ALA 46 2.289 -1.980 -4.658 356 H ASP 47 H ASP 47 4.434 -0.302 -7.465 357 HA ASP 47 HA ASP 47 6.419 1.439 -6.499 358 HB2 ASP 47 2HB ASP 47 6.925 -0.254 -8.177 359 HB3 ASP 47 3HB ASP 47 5.866 0.540 -9.340 360 H LEU 48 H LEU 48 3.523 2.076 -8.363 361 HA LEU 48 HA LEU 48 4.084 4.616 -9.357 362 HB2 LEU 48 2HB LEU 48 1.488 3.470 -8.329 363 HB3 LEU 48 3HB LEU 48 1.596 5.035 -9.111 364 HG LEU 48 HG LEU 48 2.304 2.385 -10.388 365 HD11 LEU 48 1HD1 LEU 48 -0.054 4.221 -10.828 366 HD12 LEU 48 2HD1 LEU 48 -0.097 2.633 -10.061 367 HD13 LEU 48 3HD1 LEU 48 0.315 2.775 -11.770 368 HD21 LEU 48 3HD2 LEU 48 3.689 4.185 -11.256 369 HD22 LEU 48 1HD2 LEU 48 2.260 5.182 -11.534 370 HD23 LEU 48 2HD2 LEU 48 2.498 3.698 -12.460 371 H LEU 49 H LEU 49 2.923 3.713 -6.111 372 HA LEU 49 HA LEU 49 2.823 6.408 -5.154 373 HB2 LEU 49 2HB LEU 49 2.972 3.789 -3.643 374 HB3 LEU 49 3HB LEU 49 2.763 5.353 -2.880 375 HG LEU 49 HG LEU 49 0.641 5.603 -4.281 376 HD11 LEU 49 1HD1 LEU 49 1.056 2.640 -4.648 377 HD12 LEU 49 2HD1 LEU 49 1.097 3.863 -5.917 378 HD13 LEU 49 3HD1 LEU 49 -0.407 3.538 -5.057 379 HD21 LEU 49 3HD2 LEU 49 -0.697 4.287 -2.716 380 HD22 LEU 49 1HD2 LEU 49 0.603 5.140 -1.883 381 HD23 LEU 49 2HD2 LEU 49 0.746 3.411 -2.205 382 H SER 50 H SER 50 5.202 3.782 -4.827 383 HA SER 50 HA SER 50 7.127 5.077 -3.290 384 HB2 SER 50 2HB SER 50 7.288 2.697 -3.836 385 HB3 SER 50 3HB SER 50 7.554 3.082 -5.536 386 HG SER 50 HG SER 50 9.578 2.941 -4.906 387 H SER 51 H SER 51 6.582 5.257 -6.779 388 HA SER 51 HA SER 51 8.855 6.940 -7.306 389 HB2 SER 51 2HB SER 51 6.415 6.381 -9.023 390 HB3 SER 51 3HB SER 51 7.902 7.152 -9.574 391 HG SER 51 HG SER 51 7.363 4.476 -9.048 392 H ALA 52 H ALA 52 5.342 7.485 -7.097 393 HA ALA 52 HA ALA 52 5.337 10.186 -7.827 394 HB1 ALA 52 3HB ALA 52 3.086 10.272 -6.943 395 HB2 ALA 52 1HB ALA 52 3.359 8.797 -6.015 396 HB3 ALA 52 2HB ALA 52 3.335 8.737 -7.779 397 H LEU 53 H LEU 53 5.765 8.712 -4.631 398 HA LEU 53 HA LEU 53 5.446 11.093 -3.124 399 HB2 LEU 53 2HB LEU 53 6.855 8.506 -2.471 400 HB3 LEU 53 3HB LEU 53 6.628 9.805 -1.311 401 HG LEU 53 HG LEU 53 4.372 8.345 -2.707 402 HD11 LEU 53 1HD1 LEU 53 3.979 7.253 -0.551 403 HD12 LEU 53 2HD1 LEU 53 5.440 8.003 0.095 404 HD13 LEU 53 3HD1 LEU 53 5.555 6.832 -1.221 405 HD21 LEU 53 3HD2 LEU 53 2.933 9.445 -1.086 406 HD22 LEU 53 1HD2 LEU 53 3.820 10.639 -2.032 407 HD23 LEU 53 2HD2 LEU 53 4.322 10.274 -0.380 408 H THR 54 H THR 54 8.040 10.124 -5.120 409 HA THR 54 HA THR 54 10.023 11.728 -3.672 410 HB THR 54 HB THR 54 11.665 10.963 -5.260 411 HG1 THR 54 HG1 THR 54 9.399 10.276 -6.778 412 HG21 THR 54 3HG2 THR 54 11.506 8.518 -4.996 413 HG22 THR 54 1HG2 THR 54 9.814 8.681 -4.526 414 HG23 THR 54 2HG2 THR 54 11.083 9.357 -3.505 415 H GLU 55 H GLU 55 7.583 12.387 -5.800 416 HA GLU 55 HA GLU 55 8.892 14.856 -6.714 417 HB2 GLU 55 2HB GLU 55 7.861 14.599 -8.955 418 HB3 GLU 55 3HB GLU 55 9.033 13.337 -8.606 419 HG2 GLU 55 2HG GLU 55 7.225 11.778 -8.093 420 HG3 GLU 55 3HG GLU 55 6.039 13.047 -8.402 421 HA PRO 56 HA PRO 56 5.167 16.867 -5.410 422 HB2 PRO 56 2HB PRO 56 5.008 18.336 -7.993 423 HB3 PRO 56 3HB PRO 56 5.133 18.964 -6.345 424 HG2 PRO 56 2HG PRO 56 7.222 19.058 -8.004 425 HG3 PRO 56 3HG PRO 56 7.437 18.709 -6.278 426 HD2 PRO 56 2HD PRO 56 7.455 16.817 -8.609 427 HD3 PRO 56 3HD PRO 56 8.505 16.849 -7.176 428 H VAL 57 H VAL 57 3.301 15.791 -5.313 429 HA VAL 57 HA VAL 57 1.632 15.542 -7.707 430 HB VAL 57 HB VAL 57 0.886 13.247 -6.941 431 HG11 VAL 57 1HG1 VAL 57 2.370 13.542 -8.875 432 HG12 VAL 57 2HG1 VAL 57 2.720 12.050 -8.004 433 HG13 VAL 57 3HG1 VAL 57 3.774 13.451 -7.809 434 HG21 VAL 57 3HG2 VAL 57 2.399 11.942 -5.523 435 HG22 VAL 57 1HG2 VAL 57 1.760 13.339 -4.656 436 HG23 VAL 57 2HG2 VAL 57 3.409 13.369 -5.280 437 HA PRO 58 HA PRO 58 -1.503 17.059 -4.899 438 HB2 PRO 58 2HB PRO 58 -3.715 15.851 -6.053 439 HB3 PRO 58 3HB PRO 58 -2.995 17.369 -6.595 440 HG2 PRO 58 2HG PRO 58 -2.635 14.606 -7.680 441 HG3 PRO 58 3HG PRO 58 -2.787 16.140 -8.553 442 HD2 PRO 58 2HD PRO 58 -0.407 14.936 -8.210 443 HD3 PRO 58 3HD PRO 58 -0.563 16.706 -8.198 444 H ASN 59 H ASN 59 -1.969 16.339 -2.913 445 HA ASN 59 HA ASN 59 -1.534 13.789 -1.953 446 HB2 ASN 59 2HB ASN 59 -3.334 15.969 -0.879 447 HB3 ASN 59 3HB ASN 59 -2.962 14.497 0.015 448 HD21 ASN 59 1HD2 ASN 59 -2.299 17.415 0.400 449 HD22 ASN 59 2HD2 ASN 59 -0.597 17.424 0.664 450 H SER 60 H SER 60 -4.586 15.124 -3.165 451 HA SER 60 HA SER 60 -6.291 12.990 -2.534 452 HB2 SER 60 2HB SER 60 -7.138 15.131 -3.392 453 HB3 SER 60 3HB SER 60 -6.401 14.809 -4.960 454 HG SER 60 HG SER 60 -8.535 14.206 -5.090 455 H GLN 61 H GLN 61 -4.126 13.429 -5.304 456 HA GLN 61 HA GLN 61 -4.915 11.141 -6.772 457 HB2 GLN 61 2HB GLN 61 -3.585 12.925 -7.778 458 HB3 GLN 61 3HB GLN 61 -2.252 12.583 -6.687 459 HG2 GLN 61 2HG GLN 61 -1.998 10.359 -7.723 460 HG3 GLN 61 3HG GLN 61 -3.303 10.750 -8.842 461 HE21 GLN 61 1HE2 GLN 61 -0.513 10.091 -9.398 462 HE22 GLN 61 2HE2 GLN 61 0.126 11.428 -10.283 463 H LEU 62 H LEU 62 -2.493 11.623 -4.233 464 HA LEU 62 HA LEU 62 -1.356 9.047 -4.263 465 HB2 LEU 62 2HB LEU 62 -1.699 11.019 -2.001 466 HB3 LEU 62 3HB LEU 62 -0.726 9.562 -1.886 467 HG LEU 62 HG LEU 62 -0.224 11.814 -3.848 468 HD11 LEU 62 1HD1 LEU 62 0.183 12.558 -1.571 469 HD12 LEU 62 2HD1 LEU 62 1.705 12.355 -2.436 470 HD13 LEU 62 3HD1 LEU 62 1.191 11.140 -1.266 471 HD21 LEU 62 3HD2 LEU 62 1.919 10.675 -4.236 472 HD22 LEU 62 1HD2 LEU 62 0.552 9.650 -4.671 473 HD23 LEU 62 2HD2 LEU 62 1.418 9.368 -3.160 474 H VAL 63 H VAL 63 -3.989 10.343 -2.224 475 HA VAL 63 HA VAL 63 -4.635 7.958 -0.898 476 HB VAL 63 HB VAL 63 -6.515 10.221 -1.620 477 HG11 VAL 63 1HG1 VAL 63 -7.806 9.490 0.338 478 HG12 VAL 63 2HG1 VAL 63 -6.705 8.128 0.551 479 HG13 VAL 63 3HG1 VAL 63 -7.715 8.228 -0.892 480 HG21 VAL 63 3HG2 VAL 63 -5.969 11.112 0.612 481 HG22 VAL 63 1HG2 VAL 63 -4.551 11.048 -0.436 482 HG23 VAL 63 2HG2 VAL 63 -4.774 9.832 0.823 483 H ASP 64 H ASP 64 -5.859 9.276 -3.967 484 HA ASP 64 HA ASP 64 -7.809 7.314 -4.483 485 HB2 ASP 64 2HB ASP 64 -7.719 9.424 -5.715 486 HB3 ASP 64 3HB ASP 64 -6.171 8.971 -6.422 487 H THR 65 H THR 65 -4.468 7.547 -5.741 488 HA THR 65 HA THR 65 -4.400 5.081 -7.060 489 HB THR 65 HB THR 65 -2.046 6.470 -5.744 490 HG1 THR 65 HG1 THR 65 -2.732 7.985 -7.119 491 HG21 THR 65 3HG2 THR 65 -1.575 4.167 -6.510 492 HG22 THR 65 1HG2 THR 65 -0.706 5.373 -7.462 493 HG23 THR 65 2HG2 THR 65 -2.148 4.599 -8.120 494 H GLY 66 H GLY 66 -3.804 5.888 -3.674 495 HA2 GLY 66 2HA GLY 66 -2.871 3.378 -2.799 496 HA3 GLY 66 3HA GLY 66 -3.712 4.557 -1.803 497 H HIS 67 H HIS 67 -6.155 4.537 -3.430 498 HA HIS 67 HA HIS 67 -7.609 2.563 -2.087 499 HB2 HIS 67 2HB HIS 67 -8.305 4.039 -4.631 500 HB3 HIS 67 3HB HIS 67 -9.438 3.036 -3.736 501 HD1 HIS 67 HD1 HIS 67 -9.538 6.221 -4.273 502 HD2 HIS 67 HD2 HIS 67 -8.607 4.278 -0.719 503 HE1 HIS 67 HE1 HIS 67 -10.049 7.868 -2.455 504 HE2 HIS 67 HE2 HIS 67 -9.678 6.601 -0.318 505 H GLN 68 H GLN 68 -6.384 2.511 -5.468 506 HA GLN 68 HA GLN 68 -7.500 -0.017 -6.070 507 HB2 GLN 68 2HB GLN 68 -6.035 -0.094 -8.009 508 HB3 GLN 68 3HB GLN 68 -6.743 1.504 -7.845 509 HG2 GLN 68 2HG GLN 68 -4.666 2.373 -6.953 510 HG3 GLN 68 3HG GLN 68 -3.949 0.764 -6.988 511 HE21 GLN 68 1HE2 GLN 68 -5.130 0.068 -9.551 512 HE22 GLN 68 2HE2 GLN 68 -4.256 0.961 -10.739 513 H LEU 69 H LEU 69 -4.477 0.903 -4.520 514 HA LEU 69 HA LEU 69 -3.237 -1.627 -4.497 515 HB2 LEU 69 2HB LEU 69 -2.997 0.844 -2.849 516 HB3 LEU 69 3HB LEU 69 -2.308 -0.626 -2.191 517 HG LEU 69 HG LEU 69 -0.617 0.688 -3.362 518 HD11 LEU 69 1HD1 LEU 69 0.251 -1.048 -4.855 519 HD12 LEU 69 2HD1 LEU 69 -1.318 -1.856 -4.835 520 HD13 LEU 69 3HD1 LEU 69 -0.368 -1.734 -3.353 521 HD21 LEU 69 3HD2 LEU 69 -2.324 0.304 -5.822 522 HD22 LEU 69 1HD2 LEU 69 -0.717 1.030 -5.777 523 HD23 LEU 69 2HD2 LEU 69 -2.065 1.825 -4.965 524 H LEU 70 H LEU 70 -5.486 -0.146 -2.151 525 HA LEU 70 HA LEU 70 -5.731 -2.293 -0.377 526 HB2 LEU 70 2HB LEU 70 -7.606 -0.111 -1.237 527 HB3 LEU 70 3HB LEU 70 -8.205 -1.390 -0.203 528 HG LEU 70 HG LEU 70 -7.562 0.623 1.064 529 HD11 LEU 70 1HD1 LEU 70 -7.474 -1.561 2.145 530 HD12 LEU 70 2HD1 LEU 70 -6.224 -0.487 2.770 531 HD13 LEU 70 3HD1 LEU 70 -5.799 -1.760 1.626 532 HD21 LEU 70 3HD2 LEU 70 -5.734 1.408 -0.362 533 HD22 LEU 70 1HD2 LEU 70 -4.754 0.025 0.124 534 HD23 LEU 70 2HD2 LEU 70 -5.214 1.244 1.316 535 H ASP 71 H ASP 71 -7.319 -1.720 -3.478 536 HA ASP 71 HA ASP 71 -9.095 -3.910 -3.440 537 HB2 ASP 71 2HB ASP 71 -9.250 -1.975 -4.991 538 HB3 ASP 71 3HB ASP 71 -7.811 -2.547 -5.825 539 H TYR 72 H TYR 72 -5.890 -3.599 -5.042 540 HA TYR 72 HA TYR 72 -5.633 -6.237 -5.918 541 HB2 TYR 72 2HB TYR 72 -3.438 -4.358 -4.994 542 HB3 TYR 72 3HB TYR 72 -3.182 -5.832 -5.917 543 HD1 TYR 72 HD2 TYR 72 -4.880 -5.862 -8.117 544 HD2 TYR 72 HD1 TYR 72 -3.205 -2.439 -6.224 545 HE1 TYR 72 HE2 TYR 72 -5.129 -4.589 -10.209 546 HE2 TYR 72 HE1 TYR 72 -3.448 -1.160 -8.302 547 HH TYR 72 HH TYR 72 -3.602 -1.603 -10.723 548 H CYS 73 H CYS 73 -4.713 -4.781 -2.816 549 HA CYS 73 HA CYS 73 -3.462 -7.039 -1.696 550 HB2 CYS 73 2HB CYS 73 -4.850 -4.699 -0.377 551 HB3 CYS 73 3HB CYS 73 -3.923 -5.907 0.506 552 HG CYS 73 HG CYS 73 -2.636 -3.842 -1.905 553 H SER 74 H SER 74 -6.838 -5.916 -1.447 554 HA SER 74 HA SER 74 -7.757 -7.886 0.330 555 HB2 SER 74 2HB SER 74 -9.059 -5.869 -0.227 556 HB3 SER 74 3HB SER 74 -9.318 -6.479 -1.862 557 HG SER 74 HG SER 74 -10.841 -7.751 -1.137 558 H GLY 75 H GLY 75 -7.281 -8.003 -3.155 559 HA2 GLY 75 2HA GLY 75 -8.612 -10.585 -3.406 560 HA3 GLY 75 3HA GLY 75 -7.830 -9.679 -4.690 561 H TYR 76 H TYR 76 -5.276 -9.380 -3.780 562 HA TYR 76 HA TYR 76 -4.087 -11.783 -4.554 563 HB2 TYR 76 2HB TYR 76 -3.024 -9.554 -4.749 564 HB3 TYR 76 3HB TYR 76 -2.820 -9.510 -3.003 565 HD1 TYR 76 HD2 TYR 76 -1.902 -11.559 -5.993 566 HD2 TYR 76 HD1 TYR 76 -0.822 -10.296 -2.067 567 HE1 TYR 76 HE2 TYR 76 0.281 -12.661 -6.242 568 HE2 TYR 76 HE1 TYR 76 1.362 -11.393 -2.315 569 HH TYR 76 HH TYR 76 2.413 -13.135 -3.601 570 H VAL 77 H VAL 77 -4.669 -10.514 -1.284 571 HA VAL 77 HA VAL 77 -3.101 -12.361 0.142 572 HB VAL 77 HB VAL 77 -4.124 -10.268 1.078 573 HG11 VAL 77 1HG1 VAL 77 -6.386 -10.367 2.002 574 HG12 VAL 77 2HG1 VAL 77 -6.609 -11.971 1.304 575 HG13 VAL 77 3HG1 VAL 77 -6.405 -10.573 0.249 576 HG21 VAL 77 3HG2 VAL 77 -4.429 -11.196 3.333 577 HG22 VAL 77 1HG2 VAL 77 -3.044 -11.909 2.509 578 HG23 VAL 77 2HG2 VAL 77 -4.551 -12.816 2.647 579 H ASP 78 H ASP 78 -6.280 -12.676 -1.264 580 HA ASP 78 HA ASP 78 -7.130 -15.033 0.051 581 HB2 ASP 78 2HB ASP 78 -8.600 -13.544 -1.291 582 HB3 ASP 78 3HB ASP 78 -7.773 -14.069 -2.752 583 H CYS 79 H CYS 79 -4.993 -14.441 -2.656 584 HA CYS 79 HA CYS 79 -4.840 -17.252 -3.403 585 HB2 CYS 79 2HB CYS 79 -3.382 -14.842 -4.514 586 HB3 CYS 79 3HB CYS 79 -3.362 -16.463 -5.206 587 HG CYS 79 HG CYS 79 -5.263 -14.116 -6.115 588 H ILE 80 H ILE 80 -3.416 -15.502 -0.988 589 HA ILE 80 HA ILE 80 -0.756 -16.711 -1.202 590 HB ILE 80 HB ILE 80 -1.895 -14.935 0.972 591 HG12 ILE 80 2HG1 ILE 80 -0.014 -14.269 -1.318 592 HG13 ILE 80 3HG1 ILE 80 -1.694 -13.759 -1.185 593 HG21 ILE 80 1HG2 ILE 80 0.441 -14.679 1.704 594 HG22 ILE 80 2HG2 ILE 80 0.946 -15.851 0.486 595 HG23 ILE 80 3HG2 ILE 80 -0.102 -16.353 1.813 596 HD11 ILE 80 3HD1 ILE 80 -1.144 -12.453 0.802 597 HD12 ILE 80 1HD1 ILE 80 -0.176 -11.964 -0.588 598 HD13 ILE 80 2HD1 ILE 80 0.538 -12.968 0.674 599 HA PRO 81 HA PRO 81 -2.297 -20.025 1.518 600 HB2 PRO 81 2HB PRO 81 -0.434 -21.866 0.905 601 HB3 PRO 81 3HB PRO 81 -1.764 -21.483 -0.193 602 HG2 PRO 81 2HG PRO 81 1.088 -20.595 -0.296 603 HG3 PRO 81 3HG PRO 81 0.017 -21.078 -1.623 604 HD2 PRO 81 2HD PRO 81 0.580 -18.455 -0.913 605 HD3 PRO 81 3HD PRO 81 -0.845 -18.970 -1.836 606 H GLN 82 H GLN 82 1.046 -18.786 1.360 607 HA GLN 82 HA GLN 82 1.870 -19.889 3.862 608 HB2 GLN 82 2HB GLN 82 2.976 -17.616 2.201 609 HB3 GLN 82 3HB GLN 82 3.698 -18.112 3.723 610 HG2 GLN 82 2HG GLN 82 4.947 -19.131 1.994 611 HG3 GLN 82 3HG GLN 82 3.986 -20.400 2.748 612 HE21 GLN 82 1HE2 GLN 82 4.078 -21.722 0.947 613 HE22 GLN 82 2HE2 GLN 82 3.223 -21.369 -0.512 614 H THR 83 H THR 83 0.654 -19.396 5.636 615 HA THR 83 HA THR 83 -0.747 -16.993 6.033 616 HB THR 83 HB THR 83 0.163 -18.942 8.165 617 HG1 THR 83 HG1 THR 83 -1.834 -19.936 7.785 618 HG21 THR 83 3HG2 THR 83 -2.052 -16.873 8.154 619 HG22 THR 83 1HG2 THR 83 -0.584 -16.835 9.133 620 HG23 THR 83 2HG2 THR 83 -1.802 -18.080 9.416 621 H ARG 84 H ARG 84 2.525 -17.925 6.981 622 HA ARG 84 HA ARG 84 3.153 -15.942 8.807 623 HB2 ARG 84 2HB ARG 84 4.960 -16.940 6.587 624 HB3 ARG 84 3HB ARG 84 5.483 -16.151 8.071 625 HG2 ARG 84 2HG ARG 84 4.503 -18.042 9.356 626 HG3 ARG 84 3HG ARG 84 4.150 -18.845 7.825 627 HD2 ARG 84 2HD ARG 84 6.205 -19.726 8.710 628 HD3 ARG 84 3HD ARG 84 6.571 -18.761 7.279 629 HE ARG 84 HE ARG 84 6.859 -17.636 9.980 630 HH11 ARG 84 1HH1 ARG 84 8.222 -18.490 6.933 631 HH12 ARG 84 2HH1 ARG 84 9.693 -17.632 7.227 632 HH21 ARG 84 1HH2 ARG 84 8.782 -16.563 10.358 633 HH22 ARG 84 2HH2 ARG 84 10.014 -16.575 9.144 634 H ASN 85 H ASN 85 3.625 -15.718 5.271 635 HA ASN 85 HA ASN 85 4.098 -12.893 5.326 636 HB2 ASN 85 2HB ASN 85 3.437 -14.668 2.963 637 HB3 ASN 85 3HB ASN 85 4.151 -13.058 2.893 638 HD21 ASN 85 1HD2 ASN 85 5.227 -15.525 1.867 639 HD22 ASN 85 2HD2 ASN 85 6.733 -15.785 2.675 640 H LYS 86 H LYS 86 1.272 -14.915 4.792 641 HA LYS 86 HA LYS 86 -0.453 -13.043 3.620 642 HB2 LYS 86 2HB LYS 86 -0.906 -15.469 3.776 643 HB3 LYS 86 3HB LYS 86 -1.161 -15.305 5.505 644 HG2 LYS 86 2HG LYS 86 -3.095 -13.855 5.080 645 HG3 LYS 86 3HG LYS 86 -2.831 -14.022 3.344 646 HD2 LYS 86 2HD LYS 86 -4.583 -15.537 4.010 647 HD3 LYS 86 3HD LYS 86 -3.154 -16.475 3.574 648 HE2 LYS 86 2HE LYS 86 -2.584 -16.650 5.979 649 HE3 LYS 86 3HE LYS 86 -4.074 -15.793 6.369 650 HZ1 LYS 86 3HZ LYS 86 -4.418 -18.140 6.593 651 HZ2 LYS 86 1HZ LYS 86 -3.848 -18.429 5.027 652 HZ3 LYS 86 2HZ LYS 86 -5.300 -17.596 5.256 653 H PHE 87 H PHE 87 -0.011 -13.833 7.078 654 HA PHE 87 HA PHE 87 -1.872 -11.953 8.067 655 HB2 PHE 87 2HB PHE 87 -1.034 -13.840 9.412 656 HB3 PHE 87 3HB PHE 87 0.572 -13.119 9.432 657 HD1 PHE 87 HD2 PHE 87 -2.930 -12.612 10.527 658 HD2 PHE 87 HD1 PHE 87 1.149 -11.495 11.048 659 HE1 PHE 87 HE2 PHE 87 -3.536 -11.350 12.549 660 HE2 PHE 87 HE1 PHE 87 0.546 -10.234 13.072 661 HZ PHE 87 HZ PHE 87 -1.799 -10.160 13.825 662 H ALA 88 H ALA 88 1.691 -11.767 7.795 663 HA ALA 88 HA ALA 88 2.065 -9.149 8.653 664 HB1 ALA 88 3HB ALA 88 4.146 -9.173 7.371 665 HB2 ALA 88 1HB ALA 88 3.588 -10.591 6.478 666 HB3 ALA 88 2HB ALA 88 3.904 -10.707 8.208 667 H PHE 89 H PHE 89 1.212 -10.347 5.439 668 HA PHE 89 HA PHE 89 1.208 -7.910 4.049 669 HB2 PHE 89 2HB PHE 89 1.091 -10.174 3.006 670 HB3 PHE 89 3HB PHE 89 -0.561 -10.334 3.585 671 HD1 PHE 89 HD2 PHE 89 1.635 -8.396 1.324 672 HD2 PHE 89 HD1 PHE 89 -2.369 -9.413 2.370 673 HE1 PHE 89 HE2 PHE 89 0.827 -7.334 -0.741 674 HE2 PHE 89 HE1 PHE 89 -3.176 -8.356 0.304 675 HZ PHE 89 HZ PHE 89 -1.579 -7.315 -1.255 676 H ARG 90 H ARG 90 -1.394 -9.577 5.819 677 HA ARG 90 HA ARG 90 -3.455 -7.734 5.273 678 HB2 ARG 90 2HB ARG 90 -3.060 -9.653 7.571 679 HB3 ARG 90 3HB ARG 90 -4.529 -8.714 7.347 680 HG2 ARG 90 2HG ARG 90 -3.491 -10.527 5.187 681 HG3 ARG 90 3HG ARG 90 -4.485 -11.140 6.508 682 HD2 ARG 90 2HD ARG 90 -5.906 -10.667 4.631 683 HD3 ARG 90 3HD ARG 90 -6.238 -9.490 5.897 684 HE ARG 90 HE ARG 90 -4.345 -8.508 4.006 685 HH11 ARG 90 1HH1 ARG 90 -7.712 -9.109 4.422 686 HH12 ARG 90 2HH1 ARG 90 -8.180 -7.797 3.397 687 HH21 ARG 90 1HH2 ARG 90 -4.984 -6.826 2.664 688 HH22 ARG 90 2HH2 ARG 90 -6.670 -6.538 2.414 689 H GLU 91 H GLU 91 -1.211 -7.909 8.049 690 HA GLU 91 HA GLU 91 -2.352 -5.641 9.339 691 HB2 GLU 91 2HB GLU 91 -0.587 -5.798 10.929 692 HB3 GLU 91 3HB GLU 91 -1.032 -7.440 10.492 693 HG2 GLU 91 2HG GLU 91 1.204 -7.702 10.399 694 HG3 GLU 91 3HG GLU 91 0.987 -7.078 8.766 695 H ALA 92 H ALA 92 0.347 -6.049 7.078 696 HA ALA 92 HA ALA 92 1.323 -3.424 7.073 697 HB1 ALA 92 3HB ALA 92 2.245 -3.928 4.876 698 HB2 ALA 92 1HB ALA 92 1.187 -5.333 4.735 699 HB3 ALA 92 2HB ALA 92 2.454 -5.303 5.960 700 H VAL 93 H VAL 93 -1.301 -4.887 5.164 701 HA VAL 93 HA VAL 93 -2.082 -2.669 3.664 702 HB VAL 93 HB VAL 93 -3.773 -4.899 4.833 703 HG11 VAL 93 1HG1 VAL 93 -5.490 -4.284 3.173 704 HG12 VAL 93 2HG1 VAL 93 -4.546 -2.855 2.743 705 HG13 VAL 93 3HG1 VAL 93 -5.230 -3.007 4.363 706 HG21 VAL 93 3HG2 VAL 93 -2.694 -4.471 2.041 707 HG22 VAL 93 1HG2 VAL 93 -3.649 -5.848 2.593 708 HG23 VAL 93 2HG2 VAL 93 -2.029 -5.585 3.236 709 H SER 94 H SER 94 -2.951 -3.554 6.994 710 HA SER 94 HA SER 94 -4.776 -1.506 7.537 711 HB2 SER 94 2HB SER 94 -4.378 -3.372 9.095 712 HB3 SER 94 3HB SER 94 -2.776 -2.732 9.457 713 HG SER 94 HG SER 94 -4.130 -2.009 11.053 714 H LYS 95 H LYS 95 -1.220 -1.471 7.834 715 HA LYS 95 HA LYS 95 -0.939 1.133 8.850 716 HB2 LYS 95 2HB LYS 95 0.880 -0.605 7.190 717 HB3 LYS 95 3HB LYS 95 1.344 1.038 7.602 718 HG2 LYS 95 2HG LYS 95 2.331 -0.598 9.121 719 HG3 LYS 95 3HG LYS 95 1.251 0.503 9.973 720 HD2 LYS 95 2HD LYS 95 -0.473 -1.174 10.070 721 HD3 LYS 95 3HD LYS 95 0.459 -2.252 9.030 722 HE2 LYS 95 2HE LYS 95 1.339 -1.330 11.767 723 HE3 LYS 95 3HE LYS 95 0.533 -2.863 11.440 724 HZ1 LYS 95 3HZ LYS 95 3.180 -1.998 10.413 725 HZ2 LYS 95 1HZ LYS 95 2.393 -3.420 9.943 726 HZ3 LYS 95 2HZ LYS 95 2.878 -3.216 11.545 727 H LEU 96 H LEU 96 -1.194 -0.010 5.502 728 HA LEU 96 HA LEU 96 -0.675 2.467 4.246 729 HB2 LEU 96 2HB LEU 96 -0.568 0.292 3.097 730 HB3 LEU 96 3HB LEU 96 -2.306 0.125 3.254 731 HG LEU 96 HG LEU 96 -2.613 2.118 1.804 732 HD11 LEU 96 1HD1 LEU 96 0.384 1.976 1.473 733 HD12 LEU 96 2HD1 LEU 96 -0.519 3.265 2.268 734 HD13 LEU 96 3HD1 LEU 96 -0.709 2.995 0.535 735 HD21 LEU 96 3HD2 LEU 96 -2.684 -0.117 0.831 736 HD22 LEU 96 1HD2 LEU 96 -0.936 -0.089 0.596 737 HD23 LEU 96 2HD2 LEU 96 -1.966 1.030 -0.298 738 H GLU 97 H GLU 97 -3.820 0.872 4.959 739 HA GLU 97 HA GLU 97 -5.421 2.952 3.921 740 HB2 GLU 97 2HB GLU 97 -7.277 1.908 5.216 741 HB3 GLU 97 3HB GLU 97 -6.373 0.767 4.231 742 HG2 GLU 97 2HG GLU 97 -5.176 -0.021 6.185 743 HG3 GLU 97 3HG GLU 97 -5.996 1.171 7.195 744 H LEU 98 H LEU 98 -4.145 2.415 7.185 745 HA LEU 98 HA LEU 98 -5.523 4.535 8.456 746 HB2 LEU 98 2HB LEU 98 -2.876 3.235 9.113 747 HB3 LEU 98 3HB LEU 98 -3.673 4.401 10.154 748 HG LEU 98 HG LEU 98 -4.820 1.720 9.352 749 HD11 LEU 98 1HD1 LEU 98 -3.612 2.595 11.978 750 HD12 LEU 98 2HD1 LEU 98 -2.890 1.470 10.827 751 HD13 LEU 98 3HD1 LEU 98 -4.387 1.043 11.652 752 HD21 LEU 98 3HD2 LEU 98 -6.546 3.389 9.769 753 HD22 LEU 98 1HD2 LEU 98 -5.814 3.779 11.326 754 HD23 LEU 98 2HD2 LEU 98 -6.517 2.183 11.052 755 H SER 99 H SER 99 -2.386 4.420 6.801 756 HA SER 99 HA SER 99 -1.671 7.115 7.365 757 HB2 SER 99 2HB SER 99 -0.708 5.258 5.173 758 HB3 SER 99 3HB SER 99 0.040 6.800 5.585 759 HG SER 99 HG SER 99 0.064 4.371 6.962 760 H LEU 100 H LEU 100 -3.464 5.612 4.716 761 HA LEU 100 HA LEU 100 -3.530 7.866 3.008 762 HB2 LEU 100 2HB LEU 100 -5.420 5.522 3.261 763 HB3 LEU 100 3HB LEU 100 -5.544 6.733 1.998 764 HG LEU 100 HG LEU 100 -3.163 4.914 2.425 765 HD11 LEU 100 1HD1 LEU 100 -5.131 3.691 1.635 766 HD12 LEU 100 2HD1 LEU 100 -3.878 3.785 0.397 767 HD13 LEU 100 3HD1 LEU 100 -5.298 4.829 0.296 768 HD21 LEU 100 3HD2 LEU 100 -2.368 5.771 0.299 769 HD22 LEU 100 1HD2 LEU 100 -2.570 7.091 1.451 770 HD23 LEU 100 2HD2 LEU 100 -3.765 6.838 0.181 771 H GLN 101 H GLN 101 -5.753 6.817 5.593 772 HA GLN 101 HA GLN 101 -7.667 8.870 5.076 773 HB2 GLN 101 2HB GLN 101 -8.690 8.252 7.215 774 HB3 GLN 101 3HB GLN 101 -8.345 6.837 6.232 775 HG2 GLN 101 2HG GLN 101 -6.399 6.335 7.593 776 HG3 GLN 101 3HG GLN 101 -6.665 7.795 8.546 777 HE21 GLN 101 1HE2 GLN 101 -8.392 7.856 9.996 778 HE22 GLN 101 2HE2 GLN 101 -9.201 6.423 10.518 779 H GLU 102 H GLU 102 -4.879 8.679 7.293 780 HA GLU 102 HA GLU 102 -5.453 11.201 8.524 781 HB2 GLU 102 2HB GLU 102 -3.265 11.066 9.540 782 HB3 GLU 102 3HB GLU 102 -4.046 9.494 9.629 783 HG2 GLU 102 2HG GLU 102 -2.702 8.685 7.781 784 HG3 GLU 102 3HG GLU 102 -1.960 10.273 7.598 785 H LEU 103 H LEU 103 -3.584 10.213 5.698 786 HA LEU 103 HA LEU 103 -2.192 12.579 5.186 787 HB2 LEU 103 2HB LEU 103 -1.786 10.545 3.912 788 HB3 LEU 103 3HB LEU 103 -3.392 10.627 3.213 789 HG LEU 103 HG LEU 103 -2.775 12.720 2.047 790 HD11 LEU 103 1HD1 LEU 103 -0.008 12.212 3.147 791 HD12 LEU 103 2HD1 LEU 103 -1.082 13.528 3.618 792 HD13 LEU 103 3HD1 LEU 103 -0.449 13.456 1.975 793 HD21 LEU 103 3HD2 LEU 103 -1.354 11.728 0.368 794 HD22 LEU 103 1HD2 LEU 103 -2.499 10.520 0.950 795 HD23 LEU 103 2HD2 LEU 103 -0.822 10.486 1.501 796 H GLN 104 H GLN 104 -5.387 11.622 3.865 797 HA GLN 104 HA GLN 104 -5.852 13.997 2.460 798 HB2 GLN 104 2HB GLN 104 -8.234 13.309 2.434 799 HB3 GLN 104 3HB GLN 104 -7.134 12.009 1.995 800 HG2 GLN 104 2HG GLN 104 -7.323 11.114 4.290 801 HG3 GLN 104 3HG GLN 104 -8.497 12.377 4.657 802 HE21 GLN 104 1HE2 GLN 104 -7.912 9.438 2.895 803 HE22 GLN 104 2HE2 GLN 104 -9.560 9.112 2.499 804 H VAL 105 H VAL 105 -6.754 13.173 5.818 805 HA VAL 105 HA VAL 105 -8.179 15.640 6.208 806 HB VAL 105 HB VAL 105 -8.400 15.004 8.537 807 HG11 VAL 105 1HG1 VAL 105 -9.573 12.871 8.260 808 HG12 VAL 105 2HG1 VAL 105 -8.779 12.632 6.703 809 HG13 VAL 105 3HG1 VAL 105 -9.909 13.969 6.921 810 HG21 VAL 105 3HG2 VAL 105 -6.479 12.753 7.912 811 HG22 VAL 105 1HG2 VAL 105 -7.387 12.938 9.414 812 HG23 VAL 105 2HG2 VAL 105 -6.169 14.132 8.967 813 H SER 106 H SER 106 -4.862 14.672 6.554 814 HA SER 106 HA SER 106 -4.220 17.235 7.898 815 HB2 SER 106 2HB SER 106 -3.458 15.198 9.097 816 HB3 SER 106 3HB SER 106 -2.513 14.728 7.687 817 HG SER 106 HG SER 106 -2.152 17.187 9.072 818 H SER 107 H SER 107 -4.687 16.503 4.950 819 HA SER 107 HA SER 107 -2.324 16.609 3.473 820 HB2 SER 107 2HB SER 107 -3.739 17.430 1.599 821 HB3 SER 107 3HB SER 107 -4.458 16.056 2.437 822 HG SER 107 HG SER 107 -6.095 17.262 2.968 823 H ALA 108 H ALA 108 -4.522 19.375 3.987 824 HA ALA 108 HA ALA 108 -4.194 21.620 4.060 825 HB1 ALA 108 3HB ALA 108 -2.747 21.109 5.964 826 HB2 ALA 108 1HB ALA 108 -2.137 22.488 5.050 827 HB3 ALA 108 2HB ALA 108 -1.373 20.908 4.877 828 H ALA 109 H ALA 109 -0.966 20.621 2.917 829 HA ALA 109 HA ALA 109 -0.829 22.453 0.775 830 HB1 ALA 109 3HB ALA 109 1.090 21.123 0.032 831 HB2 ALA 109 1HB ALA 109 0.628 19.834 1.149 832 HB3 ALA 109 2HB ALA 109 1.145 21.400 1.774 833 H ALA 110 H ALA 110 -1.188 22.186 -1.458 834 HA ALA 110 HA ALA 110 -3.278 20.389 -2.215 835 HB1 ALA 110 3HB ALA 110 -1.523 22.130 -3.957 836 HB2 ALA 110 1HB ALA 110 -3.057 22.609 -3.229 837 HB3 ALA 110 2HB ALA 110 -3.021 21.343 -4.457 838 H GLY 111 H GLY 111 0.184 20.579 -3.061 839 HA2 GLY 111 2HA GLY 111 0.401 17.714 -3.226 840 HA3 GLY 111 3HA GLY 111 0.418 18.471 -4.810 841 H VAL 112 H VAL 112 2.011 18.691 -1.628 842 HA VAL 112 HA VAL 112 4.551 19.301 -3.020 843 HB VAL 112 HB VAL 112 3.750 20.163 -0.223 844 HG11 VAL 112 1HG1 VAL 112 6.157 19.763 -0.422 845 HG12 VAL 112 2HG1 VAL 112 5.814 21.483 -0.243 846 HG13 VAL 112 3HG1 VAL 112 6.227 20.829 -1.827 847 HG21 VAL 112 3HG2 VAL 112 4.024 21.808 -2.749 848 HG22 VAL 112 1HG2 VAL 112 3.699 22.442 -1.133 849 HG23 VAL 112 2HG2 VAL 112 2.515 21.405 -1.927 850 HA PRO 113 HA PRO 113 5.798 15.407 -1.129 851 HB2 PRO 113 2HB PRO 113 8.333 15.320 -2.058 852 HB3 PRO 113 3HB PRO 113 6.940 15.041 -3.111 853 HG2 PRO 113 2HG PRO 113 8.569 17.538 -2.752 854 HG3 PRO 113 3HG PRO 113 7.985 16.791 -4.252 855 HD2 PRO 113 2HD PRO 113 6.743 18.908 -3.057 856 HD3 PRO 113 3HD PRO 113 5.877 17.701 -4.029 857 H GLY 114 H GLY 114 6.868 14.780 0.740 858 HA2 GLY 114 2HA GLY 114 8.395 14.848 2.487 859 HA3 GLY 114 3HA GLY 114 9.073 16.316 1.812 860 H THR 115 H THR 115 6.668 17.893 1.824 861 HA THR 115 HA THR 115 6.904 19.161 4.252 862 HB THR 115 HB THR 115 5.798 20.246 2.373 863 HG1 THR 115 HG1 THR 115 4.229 21.308 3.581 864 HG21 THR 115 3HG2 THR 115 3.447 19.736 1.820 865 HG22 THR 115 1HG2 THR 115 3.497 18.361 2.924 866 HG23 THR 115 2HG2 THR 115 4.516 18.374 1.483 867 H ASN 116 H ASN 116 4.503 16.653 3.450 868 HA ASN 116 HA ASN 116 3.577 16.659 6.238 869 HB2 ASN 116 2HB ASN 116 2.447 15.227 3.818 870 HB3 ASN 116 3HB ASN 116 1.736 15.224 5.430 871 HD21 ASN 116 1HD2 ASN 116 0.486 16.111 3.036 872 HD22 ASN 116 2HD2 ASN 116 0.121 17.785 3.245 873 HA PRO 117 HA PRO 117 6.296 13.181 7.107 874 HB2 PRO 117 2HB PRO 117 4.949 12.357 9.390 875 HB3 PRO 117 3HB PRO 117 6.192 13.611 9.349 876 HG2 PRO 117 2HG PRO 117 3.209 13.893 9.331 877 HG3 PRO 117 3HG PRO 117 4.422 14.848 10.205 878 HD2 PRO 117 2HD PRO 117 3.271 15.785 7.978 879 HD3 PRO 117 3HD PRO 117 4.992 16.085 8.309 880 H VAL 118 H VAL 118 2.798 12.967 6.979 881 HA VAL 118 HA VAL 118 2.408 10.213 7.003 882 HB VAL 118 HB VAL 118 0.849 12.164 5.296 883 HG11 VAL 118 1HG1 VAL 118 0.306 9.856 4.828 884 HG12 VAL 118 2HG1 VAL 118 -1.020 10.595 5.726 885 HG13 VAL 118 3HG1 VAL 118 0.107 9.517 6.548 886 HG21 VAL 118 3HG2 VAL 118 0.476 11.505 8.224 887 HG22 VAL 118 1HG2 VAL 118 -0.615 12.482 7.241 888 HG23 VAL 118 2HG2 VAL 118 1.024 13.046 7.564 889 H LEU 119 H LEU 119 3.479 12.294 4.369 890 HA LEU 119 HA LEU 119 3.210 10.513 2.218 891 HB2 LEU 119 2HB LEU 119 5.372 12.594 2.650 892 HB3 LEU 119 3HB LEU 119 4.943 11.862 1.113 893 HG LEU 119 HG LEU 119 3.151 13.653 2.767 894 HD11 LEU 119 1HD1 LEU 119 4.999 14.877 1.764 895 HD12 LEU 119 2HD1 LEU 119 3.475 15.284 0.978 896 HD13 LEU 119 3HD1 LEU 119 4.613 14.197 0.182 897 HD21 LEU 119 3HD2 LEU 119 1.655 13.607 0.828 898 HD22 LEU 119 1HD2 LEU 119 1.868 11.999 1.519 899 HD23 LEU 119 2HD2 LEU 119 2.715 12.439 0.035 900 H ASN 120 H ASN 120 5.910 11.004 4.471 901 HA ASN 120 HA ASN 120 7.605 9.004 3.382 902 HB2 ASN 120 2HB ASN 120 7.549 10.062 6.221 903 HB3 ASN 120 3HB ASN 120 8.891 9.227 5.445 904 HD21 ASN 120 1HD2 ASN 120 8.768 11.886 6.632 905 HD22 ASN 120 2HD2 ASN 120 9.236 12.982 5.386 906 H ASN 121 H ASN 121 5.101 8.951 5.879 907 HA ASN 121 HA ASN 121 5.495 6.320 6.804 908 HB2 ASN 121 2HB ASN 121 2.881 7.847 6.624 909 HB3 ASN 121 3HB ASN 121 3.172 6.413 7.607 910 HD21 ASN 121 1HD2 ASN 121 2.290 8.930 8.552 911 HD22 ASN 121 2HD2 ASN 121 3.497 9.542 9.623 912 H LEU 122 H LEU 122 3.367 7.554 4.207 913 HA LEU 122 HA LEU 122 2.354 5.108 3.322 914 HB2 LEU 122 2HB LEU 122 2.933 7.682 1.864 915 HB3 LEU 122 3HB LEU 122 2.268 6.290 1.028 916 HG LEU 122 HG LEU 122 0.967 7.754 3.336 917 HD11 LEU 122 1HD1 LEU 122 0.207 7.614 0.417 918 HD12 LEU 122 2HD1 LEU 122 0.924 9.008 1.226 919 HD13 LEU 122 3HD1 LEU 122 -0.684 8.450 1.690 920 HD21 LEU 122 3HD2 LEU 122 0.466 5.357 3.374 921 HD22 LEU 122 1HD2 LEU 122 -0.043 5.432 1.687 922 HD23 LEU 122 2HD2 LEU 122 -0.953 6.302 2.923 923 H LEU 123 H LEU 123 5.329 6.804 2.322 924 HA LEU 123 HA LEU 123 6.271 5.022 0.428 925 HB2 LEU 123 2HB LEU 123 7.322 7.199 1.008 926 HB3 LEU 123 3HB LEU 123 7.931 6.486 2.491 927 HG LEU 123 HG LEU 123 9.283 4.890 1.139 928 HD11 LEU 123 1HD1 LEU 123 7.903 4.860 -0.877 929 HD12 LEU 123 2HD1 LEU 123 9.573 5.282 -1.255 930 HD13 LEU 123 3HD1 LEU 123 8.333 6.537 -1.208 931 HD21 LEU 123 3HD2 LEU 123 10.963 6.509 0.409 932 HD22 LEU 123 1HD2 LEU 123 10.283 6.965 1.971 933 HD23 LEU 123 2HD2 LEU 123 9.772 7.807 0.508 934 H SER 124 H SER 124 6.815 4.914 3.956 935 HA SER 124 HA SER 124 8.325 2.537 4.026 936 HB2 SER 124 2HB SER 124 8.194 4.073 5.939 937 HB3 SER 124 3HB SER 124 6.490 3.674 6.160 938 HG SER 124 HG SER 124 7.357 2.260 7.497 939 H CYS 125 H CYS 125 4.816 3.020 4.467 940 HA CYS 125 HA CYS 125 4.152 0.335 4.982 941 HB2 CYS 125 2HB CYS 125 2.432 2.508 3.761 942 HB3 CYS 125 3HB CYS 125 1.834 0.988 4.419 943 HG CYS 125 HG CYS 125 3.215 3.601 6.137 944 H VAL 126 H VAL 126 4.129 2.141 1.906 945 HA VAL 126 HA VAL 126 3.124 0.052 0.300 946 HB VAL 126 HB VAL 126 4.871 2.395 -0.493 947 HG11 VAL 126 1HG1 VAL 126 3.209 0.572 -2.242 948 HG12 VAL 126 2HG1 VAL 126 4.970 0.619 -2.179 949 HG13 VAL 126 3HG1 VAL 126 4.074 2.014 -2.781 950 HG21 VAL 126 3HG2 VAL 126 1.871 2.053 -0.658 951 HG22 VAL 126 1HG2 VAL 126 2.790 3.469 -1.169 952 HG23 VAL 126 2HG2 VAL 126 2.723 3.030 0.539 953 H GLN 127 H GLN 127 6.485 1.082 0.949 954 HA GLN 127 HA GLN 127 7.756 -0.881 -0.616 955 HB2 GLN 127 2HB GLN 127 8.689 0.566 1.873 956 HB3 GLN 127 3HB GLN 127 9.729 -0.467 0.900 957 HG2 GLN 127 2HG GLN 127 9.502 0.977 -1.001 958 HG3 GLN 127 3HG GLN 127 8.285 1.949 -0.176 959 HE21 GLN 127 1HE2 GLN 127 10.835 2.749 -1.339 960 HE22 GLN 127 2HE2 GLN 127 11.733 3.487 -0.061 961 H GLU 128 H GLU 128 6.608 -0.958 2.734 962 HA GLU 128 HA GLU 128 7.583 -3.495 3.458 963 HB2 GLU 128 2HB GLU 128 6.655 -1.945 5.101 964 HB3 GLU 128 3HB GLU 128 5.070 -2.046 4.349 965 HG2 GLU 128 2HG GLU 128 5.111 -3.362 6.367 966 HG3 GLU 128 3HG GLU 128 4.938 -4.423 4.970 967 H ILE 129 H ILE 129 4.341 -2.616 2.209 968 HA ILE 129 HA ILE 129 3.296 -5.194 1.990 969 HB ILE 129 HB ILE 129 2.690 -2.763 0.288 970 HG12 ILE 129 2HG1 ILE 129 1.287 -3.913 2.720 971 HG13 ILE 129 3HG1 ILE 129 2.269 -2.453 2.698 972 HG21 ILE 129 1HG2 ILE 129 1.966 -4.781 -0.874 973 HG22 ILE 129 2HG2 ILE 129 0.572 -3.881 -0.279 974 HG23 ILE 129 3HG2 ILE 129 1.114 -5.328 0.571 975 HD11 ILE 129 3HD1 ILE 129 -0.339 -2.872 1.252 976 HD12 ILE 129 1HD1 ILE 129 0.652 -1.415 1.167 977 HD13 ILE 129 2HD1 ILE 129 -0.077 -1.897 2.700 978 H SER 130 H SER 130 4.922 -3.268 -0.546 979 HA SER 130 HA SER 130 4.858 -5.162 -2.600 980 HB2 SER 130 2HB SER 130 5.528 -2.827 -2.975 981 HB3 SER 130 3HB SER 130 7.006 -3.089 -2.050 982 HG SER 130 HG SER 130 6.511 -3.609 -4.644 983 H ASP 131 H ASP 131 7.245 -4.710 -0.018 984 HA ASP 131 HA ASP 131 9.098 -6.672 -0.812 985 HB2 ASP 131 2HB ASP 131 9.427 -4.883 0.930 986 HB3 ASP 131 3HB ASP 131 8.435 -5.833 2.028 987 H VAL 132 H VAL 132 6.250 -6.894 1.328 988 HA VAL 132 HA VAL 132 6.518 -9.626 1.988 989 HB VAL 132 HB VAL 132 3.978 -7.981 1.838 990 HG11 VAL 132 1HG1 VAL 132 4.531 -10.595 3.256 991 HG12 VAL 132 2HG1 VAL 132 3.468 -10.360 1.867 992 HG13 VAL 132 3HG1 VAL 132 3.061 -9.635 3.421 993 HG21 VAL 132 3HG2 VAL 132 5.637 -6.992 3.337 994 HG22 VAL 132 1HG2 VAL 132 5.813 -8.531 4.178 995 HG23 VAL 132 2HG2 VAL 132 4.283 -7.655 4.252 996 H VAL 133 H VAL 133 4.915 -8.029 -0.740 997 HA VAL 133 HA VAL 133 3.650 -10.302 -1.839 998 HB VAL 133 HB VAL 133 4.701 -7.849 -3.282 999 HG11 VAL 133 1HG1 VAL 133 2.653 -9.879 -4.192 1000 HG12 VAL 133 2HG1 VAL 133 4.285 -9.697 -4.838 1001 HG13 VAL 133 3HG1 VAL 133 3.104 -8.405 -5.051 1002 HG21 VAL 133 3HG2 VAL 133 2.401 -7.020 -3.114 1003 HG22 VAL 133 1HG2 VAL 133 3.104 -7.293 -1.521 1004 HG23 VAL 133 2HG2 VAL 133 1.950 -8.450 -2.184 1005 H GLN 134 H GLN 134 6.963 -9.229 -1.919 1006 HA GLN 134 HA GLN 134 7.756 -10.988 -4.080 1007 HB2 GLN 134 2HB GLN 134 9.496 -9.485 -2.111 1008 HB3 GLN 134 3HB GLN 134 10.013 -10.195 -3.635 1009 HG2 GLN 134 2HG GLN 134 8.605 -8.627 -4.861 1010 HG3 GLN 134 3HG GLN 134 8.048 -7.931 -3.341 1011 HE21 GLN 134 1HE2 GLN 134 8.807 -5.900 -3.808 1012 HE22 GLN 134 2HE2 GLN 134 10.490 -5.516 -3.847 1013 H ARG 135 H ARG 135 6.876 -11.607 -0.987 1014 HA ARG 135 HA ARG 135 8.857 -13.712 -0.473 1015 HB2 ARG 135 2HB ARG 135 6.571 -12.675 1.231 1016 HB3 ARG 135 3HB ARG 135 7.716 -13.918 1.723 1017 HG2 ARG 135 2HG ARG 135 9.546 -12.329 1.612 1018 HG3 ARG 135 3HG ARG 135 8.453 -11.078 1.014 1019 HD2 ARG 135 2HD ARG 135 7.219 -11.102 3.095 1020 HD3 ARG 135 3HD ARG 135 8.181 -12.456 3.687 1021 HE ARG 135 HE ARG 135 10.059 -10.599 3.231 1022 HH11 ARG 135 1HH1 ARG 135 7.038 -10.373 4.868 1023 HH12 ARG 135 2HH1 ARG 135 7.614 -9.211 6.004 1024 HH21 ARG 135 1HH2 ARG 135 10.798 -9.140 4.725 1025 HH22 ARG 135 2HH2 ARG 135 9.710 -8.499 5.906 Start of MODEL 16 1 H1 MET 1 1H MET 1 -29.820 22.095 -21.694 2 H2 MET 1 2H MET 1 -29.492 21.584 -20.115 3 H3 MET 1 3H MET 1 -30.764 22.657 -20.405 4 HA MET 1 HA MET 1 -31.576 20.421 -19.987 5 HB2 MET 1 2HB MET 1 -33.038 20.251 -21.945 6 HB3 MET 1 3HB MET 1 -32.863 21.925 -21.438 7 HG2 MET 1 2HG MET 1 -31.446 20.613 -23.751 8 HG3 MET 1 3HG MET 1 -32.804 21.733 -23.856 9 HE1 MET 1 3HE MET 1 -29.644 23.697 -25.236 10 HE2 MET 1 1HE MET 1 -31.249 23.092 -25.641 11 HE3 MET 1 2HE MET 1 -29.925 21.961 -25.358 12 H GLY 2 H GLY 2 -31.503 18.209 -20.382 13 HA2 GLY 2 2HA GLY 2 -30.416 16.976 -22.647 14 HA3 GLY 2 3HA GLY 2 -29.119 17.146 -21.473 15 H HIS 3 H HIS 3 -30.298 14.695 -22.517 16 HA HIS 3 HA HIS 3 -31.977 13.547 -20.508 17 HB2 HIS 3 2HB HIS 3 -30.306 12.247 -22.673 18 HB3 HIS 3 3HB HIS 3 -31.480 11.400 -21.669 19 HD1 HIS 3 HD1 HIS 3 -31.216 12.931 -24.871 20 HD2 HIS 3 HD2 HIS 3 -34.182 12.743 -21.964 21 HE1 HIS 3 HE1 HIS 3 -33.357 13.496 -26.054 22 HE2 HIS 3 HE2 HIS 3 -35.147 13.207 -24.314 23 H HIS 4 H HIS 4 -31.115 13.668 -18.509 24 HA HIS 4 HA HIS 4 -28.402 13.360 -17.853 25 HB2 HIS 4 2HB HIS 4 -29.229 13.199 -15.481 26 HB3 HIS 4 3HB HIS 4 -29.817 14.595 -16.374 27 HD1 HIS 4 HD1 HIS 4 -30.968 11.449 -14.731 28 HD2 HIS 4 HD2 HIS 4 -32.583 14.587 -16.926 29 HE1 HIS 4 HE1 HIS 4 -33.454 11.247 -14.466 30 HE2 HIS 4 HE2 HIS 4 -34.418 13.121 -15.838 31 H HIS 5 H HIS 5 -27.444 11.480 -18.537 32 HA HIS 5 HA HIS 5 -28.105 9.134 -16.896 33 HB2 HIS 5 2HB HIS 5 -27.673 7.612 -18.788 34 HB3 HIS 5 3HB HIS 5 -29.059 8.655 -19.080 35 HD1 HIS 5 HD1 HIS 5 -28.913 10.289 -21.035 36 HD2 HIS 5 HD2 HIS 5 -25.421 8.123 -20.428 37 HE1 HIS 5 HE1 HIS 5 -27.513 10.686 -23.080 38 HE2 HIS 5 HE2 HIS 5 -25.341 9.508 -22.610 39 H HIS 6 H HIS 6 -25.835 11.370 -17.512 40 HA HIS 6 HA HIS 6 -23.520 9.679 -17.734 41 HB2 HIS 6 2HB HIS 6 -22.200 11.748 -17.377 42 HB3 HIS 6 3HB HIS 6 -23.364 11.881 -18.684 43 HD1 HIS 6 HD1 HIS 6 -25.243 13.615 -18.426 44 HD2 HIS 6 HD2 HIS 6 -22.703 13.434 -15.146 45 HE1 HIS 6 HE1 HIS 6 -25.769 15.642 -17.054 46 HE2 HIS 6 HE2 HIS 6 -24.084 15.620 -15.199 47 H HIS 7 H HIS 7 -23.853 8.238 -16.002 48 HA HIS 7 HA HIS 7 -22.567 9.162 -13.560 49 HB2 HIS 7 2HB HIS 7 -24.275 8.015 -12.106 50 HB3 HIS 7 3HB HIS 7 -24.832 9.485 -12.890 51 HD1 HIS 7 HD1 HIS 7 -25.478 5.840 -12.674 52 HD2 HIS 7 HD2 HIS 7 -26.785 9.079 -14.922 53 HE1 HIS 7 HE1 HIS 7 -27.569 5.063 -13.819 54 HE2 HIS 7 HE2 HIS 7 -28.302 7.006 -15.236 55 H HIS 8 H HIS 8 -22.265 7.241 -15.928 56 HA HIS 8 HA HIS 8 -21.160 5.305 -16.370 57 HB2 HIS 8 2HB HIS 8 -19.544 6.687 -14.949 58 HB3 HIS 8 3HB HIS 8 -19.967 5.624 -13.610 59 HD1 HIS 8 HD1 HIS 8 -19.195 3.126 -13.798 60 HD2 HIS 8 HD2 HIS 8 -17.804 5.613 -16.821 61 HE1 HIS 8 HE1 HIS 8 -17.370 1.841 -14.941 62 HE2 HIS 8 HE2 HIS 8 -16.715 3.273 -16.901 63 H SER 9 H SER 9 -23.756 4.820 -15.268 64 HA SER 9 HA SER 9 -23.495 2.062 -14.565 65 HB2 SER 9 2HB SER 9 -24.672 2.244 -12.342 66 HB3 SER 9 3HB SER 9 -23.031 2.891 -12.344 67 HG SER 9 HG SER 9 -23.808 4.767 -11.837 68 H HIS 10 H HIS 10 -25.807 1.227 -13.793 69 HA HIS 10 HA HIS 10 -27.906 2.671 -15.287 70 HB2 HIS 10 2HB HIS 10 -27.024 0.780 -16.647 71 HB3 HIS 10 3HB HIS 10 -27.464 -0.330 -15.355 72 HD1 HIS 10 HD1 HIS 10 -30.003 -0.824 -15.032 73 HD2 HIS 10 HD2 HIS 10 -29.136 1.655 -18.253 74 HE1 HIS 10 HE1 HIS 10 -32.099 -0.754 -16.411 75 HE2 HIS 10 HE2 HIS 10 -31.578 0.808 -18.308 76 H MET 11 H MET 11 -29.943 2.644 -14.384 77 HA MET 11 HA MET 11 -30.154 2.101 -11.610 78 HB2 MET 11 2HB MET 11 -32.326 2.687 -13.639 79 HB3 MET 11 3HB MET 11 -32.548 2.692 -11.893 80 HG2 MET 11 2HG MET 11 -30.918 4.518 -11.699 81 HG3 MET 11 3HG MET 11 -30.736 4.532 -13.453 82 HE1 MET 11 3HE MET 11 -32.683 5.246 -15.137 83 HE2 MET 11 1HE MET 11 -34.311 5.676 -14.613 84 HE3 MET 11 2HE MET 11 -33.733 4.022 -14.425 85 H ALA 12 H ALA 12 -30.634 0.284 -10.567 86 HA ALA 12 HA ALA 12 -31.700 -2.025 -12.037 87 HB1 ALA 12 3HB ALA 12 -30.499 -1.876 -9.265 88 HB2 ALA 12 1HB ALA 12 -29.654 -2.368 -10.733 89 HB3 ALA 12 2HB ALA 12 -30.981 -3.349 -10.108 90 H ASN 13 H ASN 13 -33.348 -3.392 -10.925 91 HA ASN 13 HA ASN 13 -35.520 -1.702 -10.022 92 HB2 ASN 13 2HB ASN 13 -35.463 -4.697 -10.469 93 HB3 ASN 13 3HB ASN 13 -36.904 -3.729 -10.166 94 HD21 ASN 13 1HD2 ASN 13 -34.491 -4.615 -12.483 95 HD22 ASN 13 2HD2 ASN 13 -35.249 -3.871 -13.844 96 H GLY 14 H GLY 14 -34.707 -1.032 -7.966 97 HA2 GLY 14 2HA GLY 14 -35.128 -1.096 -5.682 98 HA3 GLY 14 3HA GLY 14 -35.687 -2.748 -5.855 99 H ALA 15 H ALA 15 -33.564 -4.144 -6.729 100 HA ALA 15 HA ALA 15 -31.933 -4.356 -4.414 101 HB1 ALA 15 3HB ALA 15 -31.570 -5.649 -7.122 102 HB2 ALA 15 1HB ALA 15 -32.514 -6.299 -5.780 103 HB3 ALA 15 2HB ALA 15 -30.764 -6.133 -5.630 104 H ALA 16 H ALA 16 -30.693 -2.554 -4.019 105 HA ALA 16 HA ALA 16 -29.165 -1.240 -6.072 106 HB1 ALA 16 3HB ALA 16 -29.096 -0.860 -3.077 107 HB2 ALA 16 1HB ALA 16 -30.133 0.012 -4.207 108 HB3 ALA 16 2HB ALA 16 -28.381 0.216 -4.280 109 H GLY 17 H GLY 17 -28.077 -3.381 -6.626 110 HA2 GLY 17 2HA GLY 17 -26.142 -4.604 -6.781 111 HA3 GLY 17 3HA GLY 17 -25.356 -3.168 -6.156 112 H THR 18 H THR 18 -27.697 -4.991 -4.270 113 HA THR 18 HA THR 18 -26.258 -5.095 -1.938 114 HB THR 18 HB THR 18 -28.187 -7.254 -2.848 115 HG1 THR 18 HG1 THR 18 -28.850 -4.962 -1.300 116 HG21 THR 18 3HG2 THR 18 -26.963 -7.853 -0.807 117 HG22 THR 18 1HG2 THR 18 -28.654 -7.510 -0.441 118 HG23 THR 18 2HG2 THR 18 -27.412 -6.313 -0.074 119 H LYS 19 H LYS 19 -26.354 -7.666 -4.410 120 HA LYS 19 HA LYS 19 -24.648 -9.479 -3.129 121 HB2 LYS 19 2HB LYS 19 -24.311 -10.415 -5.462 122 HB3 LYS 19 3HB LYS 19 -25.978 -10.275 -4.917 123 HG2 LYS 19 2HG LYS 19 -26.120 -8.112 -6.188 124 HG3 LYS 19 3HG LYS 19 -24.534 -8.482 -6.866 125 HD2 LYS 19 2HD LYS 19 -26.923 -10.321 -7.087 126 HD3 LYS 19 3HD LYS 19 -26.494 -9.127 -8.311 127 HE2 LYS 19 2HE LYS 19 -24.638 -11.321 -7.383 128 HE3 LYS 19 3HE LYS 19 -25.699 -11.458 -8.784 129 HZ1 LYS 19 3HZ LYS 19 -23.557 -9.433 -8.437 130 HZ2 LYS 19 1HZ LYS 19 -24.578 -9.563 -9.777 131 HZ3 LYS 19 2HZ LYS 19 -23.477 -10.795 -9.431 132 H VAL 20 H VAL 20 -23.845 -6.596 -4.950 133 HA VAL 20 HA VAL 20 -20.985 -7.334 -4.844 134 HB VAL 20 HB VAL 20 -22.183 -5.164 -6.583 135 HG11 VAL 20 1HG1 VAL 20 -19.526 -6.606 -6.711 136 HG12 VAL 20 2HG1 VAL 20 -19.779 -4.942 -6.184 137 HG13 VAL 20 3HG1 VAL 20 -20.089 -5.392 -7.860 138 HG21 VAL 20 3HG2 VAL 20 -22.062 -6.752 -8.456 139 HG22 VAL 20 1HG2 VAL 20 -23.187 -7.303 -7.214 140 HG23 VAL 20 2HG2 VAL 20 -21.586 -8.031 -7.339 141 H ALA 21 H ALA 21 -22.976 -5.881 -2.908 142 HA ALA 21 HA ALA 21 -22.030 -3.253 -2.508 143 HB1 ALA 21 3HB ALA 21 -23.100 -3.388 -0.312 144 HB2 ALA 21 1HB ALA 21 -23.265 -5.135 -0.492 145 HB3 ALA 21 2HB ALA 21 -24.141 -4.049 -1.572 146 H LEU 22 H LEU 22 -21.046 -6.331 -1.029 147 HA LEU 22 HA LEU 22 -18.598 -5.002 -0.016 148 HB2 LEU 22 2HB LEU 22 -20.072 -7.371 1.159 149 HB3 LEU 22 3HB LEU 22 -18.551 -6.735 1.757 150 HG LEU 22 HG LEU 22 -21.176 -5.231 1.735 151 HD11 LEU 22 1HD1 LEU 22 -21.166 -7.096 3.331 152 HD12 LEU 22 2HD1 LEU 22 -21.164 -5.536 4.149 153 HD13 LEU 22 3HD1 LEU 22 -19.675 -6.475 4.043 154 HD21 LEU 22 3HD2 LEU 22 -19.990 -3.584 3.112 155 HD22 LEU 22 1HD2 LEU 22 -19.254 -3.743 1.516 156 HD23 LEU 22 2HD2 LEU 22 -18.493 -4.498 2.918 157 H ARG 23 H ARG 23 -19.479 -6.678 -2.514 158 HA ARG 23 HA ARG 23 -18.723 -8.339 -3.873 159 HB2 ARG 23 2HB ARG 23 -16.045 -7.476 -2.747 160 HB3 ARG 23 3HB ARG 23 -16.308 -8.320 -4.269 161 HG2 ARG 23 2HG ARG 23 -17.765 -6.297 -4.912 162 HG3 ARG 23 3HG ARG 23 -16.992 -5.485 -3.552 163 HD2 ARG 23 2HD ARG 23 -15.638 -6.655 -5.984 164 HD3 ARG 23 3HD ARG 23 -15.814 -4.947 -5.590 165 HE ARG 23 HE ARG 23 -14.401 -6.359 -3.556 166 HH11 ARG 23 1HH1 ARG 23 -14.056 -4.856 -6.638 167 HH12 ARG 23 2HH1 ARG 23 -12.343 -4.666 -6.477 168 HH21 ARG 23 1HH2 ARG 23 -12.192 -6.111 -3.378 169 HH22 ARG 23 2HH2 ARG 23 -11.309 -5.391 -4.682 170 H LYS 24 H LYS 24 -19.552 -9.285 -1.315 171 HA LYS 24 HA LYS 24 -17.656 -11.282 -0.415 172 HB2 LYS 24 2HB LYS 24 -20.488 -10.625 0.408 173 HB3 LYS 24 3HB LYS 24 -19.561 -11.931 1.126 174 HG2 LYS 24 2HG LYS 24 -18.555 -9.097 1.138 175 HG3 LYS 24 3HG LYS 24 -19.668 -9.693 2.367 176 HD2 LYS 24 2HD LYS 24 -17.557 -9.972 3.340 177 HD3 LYS 24 3HD LYS 24 -17.961 -11.578 2.741 178 HE2 LYS 24 2HE LYS 24 -15.661 -11.118 2.226 179 HE3 LYS 24 3HE LYS 24 -16.577 -11.114 0.722 180 HZ1 LYS 24 3HZ LYS 24 -16.566 -8.718 0.733 181 HZ2 LYS 24 1HZ LYS 24 -14.978 -9.279 0.880 182 HZ3 LYS 24 2HZ LYS 24 -15.791 -8.684 2.234 183 H THR 25 H THR 25 -20.106 -11.149 -2.782 184 HA THR 25 HA THR 25 -20.293 -14.099 -2.871 185 HB THR 25 HB THR 25 -22.328 -13.817 -4.241 186 HG1 THR 25 HG1 THR 25 -21.554 -11.508 -4.817 187 HG21 THR 25 3HG2 THR 25 -22.424 -12.304 -1.625 188 HG22 THR 25 1HG2 THR 25 -22.546 -14.054 -1.814 189 HG23 THR 25 2HG2 THR 25 -23.810 -13.007 -2.461 190 H LYS 26 H LYS 26 -19.237 -15.102 -4.464 191 HA LYS 26 HA LYS 26 -18.290 -13.585 -6.780 192 HB2 LYS 26 2HB LYS 26 -17.787 -16.486 -6.068 193 HB3 LYS 26 3HB LYS 26 -16.982 -15.571 -7.334 194 HG2 LYS 26 2HG LYS 26 -16.122 -14.028 -5.541 195 HG3 LYS 26 3HG LYS 26 -16.746 -15.178 -4.358 196 HD2 LYS 26 2HD LYS 26 -14.656 -15.720 -6.473 197 HD3 LYS 26 3HD LYS 26 -14.379 -15.572 -4.738 198 HE2 LYS 26 2HE LYS 26 -16.017 -17.715 -6.103 199 HE3 LYS 26 3HE LYS 26 -14.398 -17.912 -5.438 200 HZ1 LYS 26 3HZ LYS 26 -15.989 -18.752 -3.891 201 HZ2 LYS 26 1HZ LYS 26 -16.872 -17.309 -3.915 202 HZ3 LYS 26 2HZ LYS 26 -15.321 -17.343 -3.244 203 H GLN 27 H GLN 27 -18.664 -14.342 -8.973 204 HA GLN 27 HA GLN 27 -21.202 -15.812 -9.262 205 HB2 GLN 27 2HB GLN 27 -21.810 -14.157 -11.075 206 HB3 GLN 27 3HB GLN 27 -21.839 -13.547 -9.426 207 HG2 GLN 27 2HG GLN 27 -19.494 -12.657 -9.873 208 HG3 GLN 27 3HG GLN 27 -19.806 -13.002 -11.573 209 HE21 GLN 27 1HE2 GLN 27 -19.705 -10.811 -12.123 210 HE22 GLN 27 2HE2 GLN 27 -20.960 -9.699 -11.709 211 H ALA 28 H ALA 28 -18.337 -14.639 -11.063 212 HA ALA 28 HA ALA 28 -18.033 -17.177 -12.353 213 HB1 ALA 28 3HB ALA 28 -18.927 -14.856 -14.068 214 HB2 ALA 28 1HB ALA 28 -19.871 -16.299 -13.703 215 HB3 ALA 28 2HB ALA 28 -18.396 -16.430 -14.661 216 H ALA 29 H ALA 29 -15.979 -17.476 -13.086 217 HA ALA 29 HA ALA 29 -13.913 -15.779 -12.294 218 HB1 ALA 29 3HB ALA 29 -13.615 -18.171 -12.723 219 HB2 ALA 29 1HB ALA 29 -12.436 -17.205 -13.613 220 HB3 ALA 29 2HB ALA 29 -13.829 -17.892 -14.450 221 H GLU 30 H GLU 30 -15.705 -15.855 -15.308 222 HA GLU 30 HA GLU 30 -13.980 -14.335 -16.926 223 HB2 GLU 30 2HB GLU 30 -17.008 -14.423 -17.001 224 HB3 GLU 30 3HB GLU 30 -15.966 -13.837 -18.290 225 HG2 GLU 30 2HG GLU 30 -15.029 -16.073 -18.566 226 HG3 GLU 30 3HG GLU 30 -16.051 -16.668 -17.257 227 H LYS 31 H LYS 31 -15.847 -13.339 -14.216 228 HA LYS 31 HA LYS 31 -15.454 -10.509 -14.959 229 HB2 LYS 31 2HB LYS 31 -17.811 -11.212 -15.275 230 HB3 LYS 31 3HB LYS 31 -17.894 -11.639 -13.573 231 HG2 LYS 31 2HG LYS 31 -17.708 -9.374 -12.896 232 HG3 LYS 31 3HG LYS 31 -17.240 -8.854 -14.516 233 HD2 LYS 31 2HD LYS 31 -19.906 -10.156 -14.037 234 HD3 LYS 31 3HD LYS 31 -19.675 -8.443 -13.693 235 HE2 LYS 31 2HE LYS 31 -20.605 -8.768 -15.924 236 HE3 LYS 31 3HE LYS 31 -18.999 -8.058 -16.013 237 HZ1 LYS 31 3HZ LYS 31 -18.097 -10.193 -16.621 238 HZ2 LYS 31 1HZ LYS 31 -19.360 -9.796 -17.671 239 HZ3 LYS 31 2HZ LYS 31 -19.608 -10.937 -16.448 240 H ILE 32 H ILE 32 -14.953 -12.915 -12.602 241 HA ILE 32 HA ILE 32 -14.831 -11.239 -10.289 242 HB ILE 32 HB ILE 32 -13.510 -13.914 -10.830 243 HG12 ILE 32 2HG1 ILE 32 -15.947 -13.229 -9.161 244 HG13 ILE 32 3HG1 ILE 32 -16.008 -13.891 -10.790 245 HG21 ILE 32 1HG2 ILE 32 -13.170 -14.054 -8.389 246 HG22 ILE 32 2HG2 ILE 32 -13.742 -12.393 -8.226 247 HG23 ILE 32 3HG2 ILE 32 -12.256 -12.730 -9.114 248 HD11 ILE 32 3HD1 ILE 32 -16.376 -15.613 -9.133 249 HD12 ILE 32 1HD1 ILE 32 -14.828 -15.243 -8.373 250 HD13 ILE 32 2HD1 ILE 32 -14.874 -15.908 -10.008 251 H SER 33 H SER 33 -13.595 -9.428 -10.618 252 HA SER 33 HA SER 33 -11.046 -9.428 -11.886 253 HB2 SER 33 2HB SER 33 -12.474 -7.419 -11.786 254 HB3 SER 33 3HB SER 33 -12.254 -7.349 -10.038 255 HG SER 33 HG SER 33 -10.344 -6.499 -10.315 256 H ALA 34 H ALA 34 -12.036 -10.104 -8.645 257 HA ALA 34 HA ALA 34 -9.744 -9.405 -7.196 258 HB1 ALA 34 3HB ALA 34 -10.538 -10.964 -5.497 259 HB2 ALA 34 1HB ALA 34 -11.653 -11.681 -6.659 260 HB3 ALA 34 2HB ALA 34 -11.870 -10.009 -6.145 261 H ASP 35 H ASP 35 -10.598 -12.708 -8.342 262 HA ASP 35 HA ASP 35 -8.085 -13.846 -7.815 263 HB2 ASP 35 2HB ASP 35 -10.232 -15.090 -8.235 264 HB3 ASP 35 3HB ASP 35 -10.042 -14.734 -9.949 265 H LYS 36 H LYS 36 -9.199 -11.920 -10.474 266 HA LYS 36 HA LYS 36 -7.239 -12.572 -12.405 267 HB2 LYS 36 2HB LYS 36 -9.294 -11.442 -13.011 268 HB3 LYS 36 3HB LYS 36 -8.897 -10.072 -11.993 269 HG2 LYS 36 2HG LYS 36 -7.044 -10.773 -14.226 270 HG3 LYS 36 3HG LYS 36 -8.578 -9.993 -14.607 271 HD2 LYS 36 2HD LYS 36 -7.990 -8.175 -12.996 272 HD3 LYS 36 3HD LYS 36 -6.412 -8.931 -12.778 273 HE2 LYS 36 2HE LYS 36 -7.519 -7.895 -15.392 274 HE3 LYS 36 3HE LYS 36 -6.335 -7.069 -14.380 275 HZ1 LYS 36 3HZ LYS 36 -4.772 -8.826 -14.754 276 HZ2 LYS 36 1HZ LYS 36 -5.345 -8.291 -16.253 277 HZ3 LYS 36 2HZ LYS 36 -5.916 -9.740 -15.599 278 H ILE 37 H ILE 37 -7.135 -10.513 -9.582 279 HA ILE 37 HA ILE 37 -5.008 -8.819 -10.263 280 HB ILE 37 HB ILE 37 -5.726 -9.902 -7.530 281 HG12 ILE 37 2HG1 ILE 37 -7.613 -8.750 -8.551 282 HG13 ILE 37 3HG1 ILE 37 -6.947 -7.756 -7.260 283 HG21 ILE 37 1HG2 ILE 37 -3.481 -8.984 -7.506 284 HG22 ILE 37 2HG2 ILE 37 -4.579 -7.897 -6.655 285 HG23 ILE 37 3HG2 ILE 37 -4.046 -7.507 -8.290 286 HD11 ILE 37 3HD1 ILE 37 -5.794 -6.386 -8.926 287 HD12 ILE 37 1HD1 ILE 37 -7.539 -6.410 -9.179 288 HD13 ILE 37 2HD1 ILE 37 -6.486 -7.377 -10.210 289 H SER 38 H SER 38 -3.101 -9.523 -11.033 290 HA SER 38 HA SER 38 -1.884 -11.983 -10.060 291 HB2 SER 38 2HB SER 38 -0.961 -10.031 -12.194 292 HB3 SER 38 3HB SER 38 -0.182 -11.569 -11.819 293 HG SER 38 HG SER 38 -1.842 -12.652 -12.677 294 H LYS 39 H LYS 39 0.374 -12.064 -9.407 295 HA LYS 39 HA LYS 39 0.980 -10.490 -7.205 296 HB2 LYS 39 2HB LYS 39 1.966 -12.655 -7.458 297 HB3 LYS 39 3HB LYS 39 2.732 -12.205 -8.973 298 HG2 LYS 39 2HG LYS 39 4.304 -10.795 -7.844 299 HG3 LYS 39 3HG LYS 39 3.446 -10.978 -6.312 300 HD2 LYS 39 2HD LYS 39 4.035 -13.310 -6.184 301 HD3 LYS 39 3HD LYS 39 4.711 -13.278 -7.814 302 HE2 LYS 39 2HE LYS 39 5.791 -11.630 -5.525 303 HE3 LYS 39 3HE LYS 39 6.398 -13.231 -5.944 304 HZ1 LYS 39 3HZ LYS 39 7.736 -11.468 -6.932 305 HZ2 LYS 39 1HZ LYS 39 6.385 -10.880 -7.762 306 HZ3 LYS 39 2HZ LYS 39 6.997 -12.410 -8.123 307 H GLU 40 H GLU 40 2.602 -10.312 -10.410 308 HA GLU 40 HA GLU 40 4.155 -8.043 -9.765 309 HB2 GLU 40 2HB GLU 40 4.596 -7.861 -12.169 310 HB3 GLU 40 3HB GLU 40 4.745 -9.522 -11.611 311 HG2 GLU 40 2HG GLU 40 2.538 -10.037 -12.517 312 HG3 GLU 40 3HG GLU 40 2.367 -8.368 -13.059 313 H ALA 41 H ALA 41 0.887 -8.331 -10.980 314 HA ALA 41 HA ALA 41 0.487 -5.711 -11.916 315 HB1 ALA 41 3HB ALA 41 -1.518 -7.581 -10.650 316 HB2 ALA 41 1HB ALA 41 -1.086 -7.527 -12.359 317 HB3 ALA 41 2HB ALA 41 -1.903 -6.154 -11.612 318 H LEU 42 H LEU 42 -0.060 -7.108 -8.689 319 HA LEU 42 HA LEU 42 -0.895 -4.728 -7.415 320 HB2 LEU 42 2HB LEU 42 -1.224 -7.038 -6.549 321 HB3 LEU 42 3HB LEU 42 0.490 -7.140 -6.211 322 HG LEU 42 HG LEU 42 -1.192 -4.996 -4.917 323 HD11 LEU 42 1HD1 LEU 42 -1.604 -6.468 -3.030 324 HD12 LEU 42 2HD1 LEU 42 -0.808 -7.802 -3.867 325 HD13 LEU 42 3HD1 LEU 42 -2.318 -7.142 -4.495 326 HD21 LEU 42 3HD2 LEU 42 0.507 -5.190 -3.144 327 HD22 LEU 42 1HD2 LEU 42 1.230 -4.783 -4.699 328 HD23 LEU 42 2HD2 LEU 42 1.338 -6.432 -4.082 329 H LEU 43 H LEU 43 2.306 -6.255 -7.713 330 HA LEU 43 HA LEU 43 3.780 -4.523 -6.109 331 HB2 LEU 43 2HB LEU 43 4.676 -5.950 -8.620 332 HB3 LEU 43 3HB LEU 43 5.748 -5.246 -7.421 333 HG LEU 43 HG LEU 43 3.851 -7.557 -6.959 334 HD11 LEU 43 1HD1 LEU 43 5.738 -8.198 -8.336 335 HD12 LEU 43 2HD1 LEU 43 5.896 -8.890 -6.722 336 HD13 LEU 43 3HD1 LEU 43 6.861 -7.484 -7.175 337 HD21 LEU 43 3HD2 LEU 43 4.951 -7.754 -4.769 338 HD22 LEU 43 1HD2 LEU 43 4.085 -6.227 -4.940 339 HD23 LEU 43 2HD2 LEU 43 5.842 -6.265 -5.087 340 H GLU 44 H GLU 44 3.152 -4.258 -9.621 341 HA GLU 44 HA GLU 44 4.653 -1.885 -9.981 342 HB2 GLU 44 2HB GLU 44 2.392 -3.028 -11.631 343 HB3 GLU 44 3HB GLU 44 3.410 -1.685 -12.137 344 HG2 GLU 44 2HG GLU 44 4.335 -4.499 -11.570 345 HG3 GLU 44 3HG GLU 44 4.140 -3.765 -13.159 346 H CYS 45 H CYS 45 1.193 -2.391 -9.299 347 HA CYS 45 HA CYS 45 0.383 0.297 -9.449 348 HB2 CYS 45 2HB CYS 45 -0.662 -1.956 -7.716 349 HB3 CYS 45 3HB CYS 45 -1.449 -0.387 -7.858 350 HG CYS 45 HG CYS 45 -1.063 -2.725 -10.322 351 H ALA 46 H ALA 46 1.821 -1.532 -6.779 352 HA ALA 46 HA ALA 46 1.794 0.628 -4.908 353 HB1 ALA 46 3HB ALA 46 3.309 -0.775 -3.590 354 HB2 ALA 46 1HB ALA 46 3.507 -1.859 -4.965 355 HB3 ALA 46 2HB ALA 46 1.933 -1.702 -4.185 356 H ASP 47 H ASP 47 4.106 -0.534 -7.297 357 HA ASP 47 HA ASP 47 6.364 0.944 -6.615 358 HB2 ASP 47 2HB ASP 47 6.270 -0.861 -8.320 359 HB3 ASP 47 3HB ASP 47 5.396 0.222 -9.397 360 H LEU 48 H LEU 48 3.548 1.879 -8.561 361 HA LEU 48 HA LEU 48 4.291 4.428 -9.369 362 HB2 LEU 48 2HB LEU 48 1.600 3.387 -8.483 363 HB3 LEU 48 3HB LEU 48 1.825 4.967 -9.214 364 HG LEU 48 HG LEU 48 2.516 2.347 -10.564 365 HD11 LEU 48 1HD1 LEU 48 0.528 2.723 -11.928 366 HD12 LEU 48 2HD1 LEU 48 0.124 4.146 -10.965 367 HD13 LEU 48 3HD1 LEU 48 0.106 2.544 -10.225 368 HD21 LEU 48 3HD2 LEU 48 3.856 4.240 -11.339 369 HD22 LEU 48 1HD2 LEU 48 2.388 5.174 -11.628 370 HD23 LEU 48 2HD2 LEU 48 2.716 3.724 -12.579 371 H LEU 49 H LEU 49 2.794 3.467 -6.278 372 HA LEU 49 HA LEU 49 2.723 6.050 -5.130 373 HB2 LEU 49 2HB LEU 49 2.744 3.290 -3.922 374 HB3 LEU 49 3HB LEU 49 2.733 4.727 -2.919 375 HG LEU 49 HG LEU 49 0.586 5.414 -3.928 376 HD11 LEU 49 1HD1 LEU 49 0.718 2.764 -5.367 377 HD12 LEU 49 2HD1 LEU 49 0.806 4.360 -6.112 378 HD13 LEU 49 3HD1 LEU 49 -0.678 3.842 -5.313 379 HD21 LEU 49 3HD2 LEU 49 0.599 4.120 -1.864 380 HD22 LEU 49 1HD2 LEU 49 0.587 2.617 -2.789 381 HD23 LEU 49 2HD2 LEU 49 -0.800 3.705 -2.854 382 H SER 50 H SER 50 5.201 3.519 -5.100 383 HA SER 50 HA SER 50 6.987 4.574 -3.253 384 HB2 SER 50 2HB SER 50 7.323 2.367 -4.257 385 HB3 SER 50 3HB SER 50 7.640 3.105 -5.828 386 HG SER 50 HG SER 50 9.563 3.862 -5.106 387 H SER 51 H SER 51 6.767 5.296 -6.735 388 HA SER 51 HA SER 51 8.871 7.261 -6.640 389 HB2 SER 51 2HB SER 51 8.427 6.042 -8.713 390 HB3 SER 51 3HB SER 51 6.799 6.710 -8.784 391 HG SER 51 HG SER 51 7.646 8.321 -9.810 392 H ALA 52 H ALA 52 5.318 7.436 -6.863 393 HA ALA 52 HA ALA 52 5.104 10.207 -7.224 394 HB1 ALA 52 3HB ALA 52 2.758 9.941 -6.685 395 HB2 ALA 52 1HB ALA 52 3.077 8.370 -5.950 396 HB3 ALA 52 2HB ALA 52 3.300 8.592 -7.686 397 H LEU 53 H LEU 53 5.344 8.339 -4.229 398 HA LEU 53 HA LEU 53 4.567 10.482 -2.499 399 HB2 LEU 53 2HB LEU 53 5.980 7.866 -2.004 400 HB3 LEU 53 3HB LEU 53 5.601 8.993 -0.714 401 HG LEU 53 HG LEU 53 3.509 7.772 -2.528 402 HD11 LEU 53 1HD1 LEU 53 4.601 6.005 -1.259 403 HD12 LEU 53 2HD1 LEU 53 2.974 6.294 -0.643 404 HD13 LEU 53 3HD1 LEU 53 4.373 6.913 0.236 405 HD21 LEU 53 3HD2 LEU 53 3.298 9.253 0.100 406 HD22 LEU 53 1HD2 LEU 53 1.955 8.534 -0.790 407 HD23 LEU 53 2HD2 LEU 53 2.850 9.884 -1.486 408 H THR 54 H THR 54 7.559 9.690 -4.036 409 HA THR 54 HA THR 54 9.180 11.105 -2.064 410 HB THR 54 HB THR 54 11.118 10.499 -3.380 411 HG1 THR 54 HG1 THR 54 9.319 9.353 -5.282 412 HG21 THR 54 3HG2 THR 54 10.961 8.058 -3.293 413 HG22 THR 54 1HG2 THR 54 9.204 8.165 -3.190 414 HG23 THR 54 2HG2 THR 54 10.204 8.785 -1.876 415 H GLU 55 H GLU 55 7.841 11.672 -5.251 416 HA GLU 55 HA GLU 55 9.254 14.233 -5.504 417 HB2 GLU 55 2HB GLU 55 8.271 14.314 -7.760 418 HB3 GLU 55 3HB GLU 55 9.147 12.811 -7.498 419 HG2 GLU 55 2HG GLU 55 7.076 11.610 -7.155 420 HG3 GLU 55 3HG GLU 55 6.153 13.108 -7.267 421 HA PRO 56 HA PRO 56 5.690 16.639 -4.215 422 HB2 PRO 56 2HB PRO 56 6.105 18.523 -6.452 423 HB3 PRO 56 3HB PRO 56 6.211 18.807 -4.713 424 HG2 PRO 56 2HG PRO 56 8.399 18.760 -6.289 425 HG3 PRO 56 3HG PRO 56 8.433 18.185 -4.612 426 HD2 PRO 56 2HD PRO 56 8.301 16.609 -7.159 427 HD3 PRO 56 3HD PRO 56 9.225 16.282 -5.675 428 H VAL 57 H VAL 57 3.700 15.904 -4.582 429 HA VAL 57 HA VAL 57 2.450 16.263 -7.210 430 HB VAL 57 HB VAL 57 1.331 14.008 -6.993 431 HG11 VAL 57 1HG1 VAL 57 4.338 13.982 -7.313 432 HG12 VAL 57 2HG1 VAL 57 3.155 14.323 -8.576 433 HG13 VAL 57 3HG1 VAL 57 3.240 12.714 -7.859 434 HG21 VAL 57 3HG2 VAL 57 3.482 13.530 -4.921 435 HG22 VAL 57 1HG2 VAL 57 2.372 12.317 -5.563 436 HG23 VAL 57 2HG2 VAL 57 1.751 13.662 -4.604 437 HA PRO 58 HA PRO 58 -1.090 17.544 -4.775 438 HB2 PRO 58 2HB PRO 58 -3.199 16.518 -6.189 439 HB3 PRO 58 3HB PRO 58 -2.292 17.951 -6.688 440 HG2 PRO 58 2HG PRO 58 -2.028 15.117 -7.631 441 HG3 PRO 58 3HG PRO 58 -2.018 16.617 -8.578 442 HD2 PRO 58 2HD PRO 58 0.256 15.304 -7.942 443 HD3 PRO 58 3HD PRO 58 0.194 17.076 -8.064 444 H ASN 59 H ASN 59 -2.071 16.786 -2.966 445 HA ASN 59 HA ASN 59 -1.653 14.183 -2.039 446 HB2 ASN 59 2HB ASN 59 -3.727 16.177 -1.096 447 HB3 ASN 59 3HB ASN 59 -3.173 14.770 -0.194 448 HD21 ASN 59 1HD2 ASN 59 -0.391 15.116 -1.063 449 HD22 ASN 59 2HD2 ASN 59 0.209 16.462 -0.172 450 H SER 60 H SER 60 -4.517 15.588 -3.589 451 HA SER 60 HA SER 60 -6.326 13.505 -3.342 452 HB2 SER 60 2HB SER 60 -6.927 15.637 -4.387 453 HB3 SER 60 3HB SER 60 -5.878 15.284 -5.759 454 HG SER 60 HG SER 60 -8.272 14.811 -5.874 455 H GLN 61 H GLN 61 -3.759 13.879 -5.781 456 HA GLN 61 HA GLN 61 -4.289 11.535 -7.242 457 HB2 GLN 61 2HB GLN 61 -2.821 13.264 -8.120 458 HB3 GLN 61 3HB GLN 61 -1.678 13.009 -6.807 459 HG2 GLN 61 2HG GLN 61 -1.209 10.758 -7.645 460 HG3 GLN 61 3HG GLN 61 -2.360 11.002 -8.958 461 HE21 GLN 61 1HE2 GLN 61 0.515 10.440 -9.057 462 HE22 GLN 61 2HE2 GLN 61 1.215 11.732 -9.960 463 H LEU 62 H LEU 62 -2.137 12.091 -4.459 464 HA LEU 62 HA LEU 62 -1.013 9.531 -4.294 465 HB2 LEU 62 2HB LEU 62 -1.625 11.537 -2.124 466 HB3 LEU 62 3HB LEU 62 -0.675 10.085 -1.861 467 HG LEU 62 HG LEU 62 0.055 12.332 -3.753 468 HD11 LEU 62 1HD1 LEU 62 1.851 12.803 -2.156 469 HD12 LEU 62 2HD1 LEU 62 1.213 11.565 -1.073 470 HD13 LEU 62 3HD1 LEU 62 0.261 13.009 -1.423 471 HD21 LEU 62 3HD2 LEU 62 2.217 11.143 -3.917 472 HD22 LEU 62 1HD2 LEU 62 0.876 10.204 -4.571 473 HD23 LEU 62 2HD2 LEU 62 1.535 9.814 -2.982 474 H VAL 63 H VAL 63 -3.904 10.800 -2.633 475 HA VAL 63 HA VAL 63 -4.537 8.408 -1.262 476 HB VAL 63 HB VAL 63 -6.392 10.672 -2.044 477 HG11 VAL 63 1HG1 VAL 63 -7.629 8.650 -1.430 478 HG12 VAL 63 2HG1 VAL 63 -7.815 9.899 -0.199 479 HG13 VAL 63 3HG1 VAL 63 -6.721 8.542 0.079 480 HG21 VAL 63 3HG2 VAL 63 -4.815 10.238 0.500 481 HG22 VAL 63 1HG2 VAL 63 -5.963 11.546 0.208 482 HG23 VAL 63 2HG2 VAL 63 -4.478 11.450 -0.735 483 H ASP 64 H ASP 64 -5.864 9.784 -4.281 484 HA ASP 64 HA ASP 64 -7.717 7.724 -4.781 485 HB2 ASP 64 2HB ASP 64 -7.816 9.948 -5.820 486 HB3 ASP 64 3HB ASP 64 -6.350 9.596 -6.726 487 H THR 65 H THR 65 -4.427 8.220 -6.098 488 HA THR 65 HA THR 65 -4.317 5.864 -7.654 489 HB THR 65 HB THR 65 -1.994 7.328 -6.359 490 HG1 THR 65 HG1 THR 65 -2.924 8.776 -7.709 491 HG21 THR 65 3HG2 THR 65 -1.368 5.082 -7.123 492 HG22 THR 65 1HG2 THR 65 -0.628 6.324 -8.133 493 HG23 THR 65 2HG2 THR 65 -2.033 5.432 -8.717 494 H GLY 66 H GLY 66 -3.416 6.489 -4.276 495 HA2 GLY 66 2HA GLY 66 -2.400 3.847 -3.800 496 HA3 GLY 66 3HA GLY 66 -2.777 5.054 -2.583 497 H HIS 67 H HIS 67 -5.569 5.272 -3.696 498 HA HIS 67 HA HIS 67 -6.817 3.568 -1.861 499 HB2 HIS 67 2HB HIS 67 -7.771 5.693 -2.769 500 HB3 HIS 67 3HB HIS 67 -8.109 4.850 -4.278 501 HD1 HIS 67 HD1 HIS 67 -10.425 3.993 -4.427 502 HD2 HIS 67 HD2 HIS 67 -9.145 4.276 -0.483 503 HE1 HIS 67 HE1 HIS 67 -12.391 3.294 -3.029 504 HE2 HIS 67 HE2 HIS 67 -11.567 3.391 -0.655 505 H GLN 68 H GLN 68 -6.263 3.137 -5.348 506 HA GLN 68 HA GLN 68 -7.887 0.851 -5.686 507 HB2 GLN 68 2HB GLN 68 -6.674 0.458 -7.756 508 HB3 GLN 68 3HB GLN 68 -7.012 2.174 -7.581 509 HG2 GLN 68 2HG GLN 68 -4.740 2.602 -6.905 510 HG3 GLN 68 3HG GLN 68 -4.371 0.880 -6.912 511 HE21 GLN 68 1HE2 GLN 68 -3.141 3.074 -8.395 512 HE22 GLN 68 2HE2 GLN 68 -3.279 2.654 -10.065 513 H LEU 69 H LEU 69 -4.614 1.212 -4.454 514 HA LEU 69 HA LEU 69 -3.650 -1.383 -4.651 515 HB2 LEU 69 2HB LEU 69 -3.171 0.870 -2.759 516 HB3 LEU 69 3HB LEU 69 -2.570 -0.706 -2.294 517 HG LEU 69 HG LEU 69 -0.818 0.593 -3.376 518 HD11 LEU 69 1HD1 LEU 69 -0.122 -1.013 -5.064 519 HD12 LEU 69 2HD1 LEU 69 -1.757 -1.664 -5.150 520 HD13 LEU 69 3HD1 LEU 69 -0.816 -1.841 -3.669 521 HD21 LEU 69 3HD2 LEU 69 -0.956 1.280 -5.696 522 HD22 LEU 69 1HD2 LEU 69 -2.265 2.019 -4.774 523 HD23 LEU 69 2HD2 LEU 69 -2.592 0.638 -5.824 524 H LEU 70 H LEU 70 -5.943 -0.055 -2.339 525 HA LEU 70 HA LEU 70 -6.009 -2.268 -0.579 526 HB2 LEU 70 2HB LEU 70 -7.883 0.004 -1.146 527 HB3 LEU 70 3HB LEU 70 -8.383 -1.294 -0.079 528 HG LEU 70 HG LEU 70 -7.522 0.598 1.201 529 HD11 LEU 70 1HD1 LEU 70 -7.228 -1.622 2.123 530 HD12 LEU 70 2HD1 LEU 70 -5.857 -0.600 2.551 531 HD13 LEU 70 3HD1 LEU 70 -5.694 -1.802 1.270 532 HD21 LEU 70 3HD2 LEU 70 -4.899 0.136 -0.231 533 HD22 LEU 70 1HD2 LEU 70 -5.184 1.279 1.084 534 HD23 LEU 70 2HD2 LEU 70 -5.974 1.513 -0.476 535 H ASP 71 H ASP 71 -7.782 -1.578 -3.567 536 HA ASP 71 HA ASP 71 -9.594 -3.742 -3.433 537 HB2 ASP 71 2HB ASP 71 -9.543 -1.733 -5.079 538 HB3 ASP 71 3HB ASP 71 -8.414 -2.704 -6.017 539 H TYR 72 H TYR 72 -6.479 -3.440 -5.151 540 HA TYR 72 HA TYR 72 -6.123 -6.062 -5.984 541 HB2 TYR 72 2HB TYR 72 -4.095 -3.990 -5.118 542 HB3 TYR 72 3HB TYR 72 -3.630 -5.540 -5.807 543 HD1 TYR 72 HD1 TYR 72 -5.764 -2.561 -6.579 544 HD2 TYR 72 HD2 TYR 72 -3.328 -5.701 -8.107 545 HE1 TYR 72 HE1 TYR 72 -5.957 -1.608 -8.835 546 HE2 TYR 72 HE2 TYR 72 -3.521 -4.756 -10.368 547 HH TYR 72 HH TYR 72 -4.752 -1.635 -10.952 548 H CYS 73 H CYS 73 -5.058 -4.605 -2.909 549 HA CYS 73 HA CYS 73 -3.758 -6.894 -1.904 550 HB2 CYS 73 2HB CYS 73 -4.899 -4.493 -0.464 551 HB3 CYS 73 3HB CYS 73 -3.907 -5.723 0.313 552 HG CYS 73 HG CYS 73 -2.904 -3.610 -2.189 553 H SER 74 H SER 74 -7.053 -5.664 -1.303 554 HA SER 74 HA SER 74 -7.766 -7.545 0.663 555 HB2 SER 74 2HB SER 74 -10.098 -6.926 0.197 556 HB3 SER 74 3HB SER 74 -9.067 -5.497 0.261 557 HG SER 74 HG SER 74 -9.092 -5.408 -1.983 558 H GLY 75 H GLY 75 -7.861 -7.760 -2.859 559 HA2 GLY 75 2HA GLY 75 -9.241 -10.311 -2.835 560 HA3 GLY 75 3HA GLY 75 -8.550 -9.510 -4.235 561 H TYR 76 H TYR 76 -5.919 -9.273 -3.622 562 HA TYR 76 HA TYR 76 -4.955 -11.821 -4.312 563 HB2 TYR 76 2HB TYR 76 -3.876 -9.688 -4.963 564 HB3 TYR 76 3HB TYR 76 -3.381 -9.440 -3.294 565 HD1 TYR 76 HD2 TYR 76 -2.956 -11.692 -6.218 566 HD2 TYR 76 HD1 TYR 76 -1.366 -10.415 -2.477 567 HE1 TYR 76 HE2 TYR 76 -0.899 -12.958 -6.664 568 HE2 TYR 76 HE1 TYR 76 0.697 -11.680 -2.918 569 HH TYR 76 HH TYR 76 1.412 -13.620 -4.287 570 H VAL 77 H VAL 77 -5.171 -10.240 -1.170 571 HA VAL 77 HA VAL 77 -3.211 -11.623 0.232 572 HB VAL 77 HB VAL 77 -4.436 -9.681 1.139 573 HG11 VAL 77 1HG1 VAL 77 -6.615 -9.955 2.205 574 HG12 VAL 77 2HG1 VAL 77 -6.688 -11.629 1.652 575 HG13 VAL 77 3HG1 VAL 77 -6.709 -10.310 0.480 576 HG21 VAL 77 3HG2 VAL 77 -4.469 -10.411 3.456 577 HG22 VAL 77 1HG2 VAL 77 -3.106 -11.138 2.609 578 HG23 VAL 77 2HG2 VAL 77 -4.547 -12.099 2.950 579 H ASP 78 H ASP 78 -6.538 -12.651 -0.467 580 HA ASP 78 HA ASP 78 -6.515 -14.909 1.269 581 HB2 ASP 78 2HB ASP 78 -8.572 -13.767 0.387 582 HB3 ASP 78 3HB ASP 78 -8.241 -14.485 -1.186 583 H CYS 79 H CYS 79 -5.315 -14.360 -1.933 584 HA CYS 79 HA CYS 79 -5.158 -17.160 -2.660 585 HB2 CYS 79 2HB CYS 79 -3.978 -14.718 -4.012 586 HB3 CYS 79 3HB CYS 79 -4.025 -16.343 -4.692 587 HG CYS 79 HG CYS 79 -5.966 -14.530 -5.839 588 H ILE 80 H ILE 80 -3.205 -15.019 -0.851 589 HA ILE 80 HA ILE 80 -0.618 -16.015 -1.487 590 HB ILE 80 HB ILE 80 -1.580 -14.676 1.054 591 HG12 ILE 80 2HG1 ILE 80 -0.202 -13.521 -1.391 592 HG13 ILE 80 3HG1 ILE 80 -1.894 -13.293 -0.964 593 HG21 ILE 80 1HG2 ILE 80 0.799 -14.143 1.441 594 HG22 ILE 80 2HG2 ILE 80 1.234 -15.126 0.044 595 HG23 ILE 80 3HG2 ILE 80 0.493 -15.879 1.454 596 HD11 ILE 80 3HD1 ILE 80 -1.207 -12.116 1.072 597 HD12 ILE 80 1HD1 ILE 80 -0.594 -11.343 -0.390 598 HD13 ILE 80 2HD1 ILE 80 0.482 -12.321 0.607 599 HA PRO 81 HA PRO 81 -1.170 -19.981 0.654 600 HB2 PRO 81 2HB PRO 81 1.619 -20.451 -0.188 601 HB3 PRO 81 3HB PRO 81 0.158 -21.364 -0.578 602 HG2 PRO 81 2HG PRO 81 1.416 -19.847 -2.416 603 HG3 PRO 81 3HG PRO 81 -0.348 -20.032 -2.400 604 HD2 PRO 81 2HD PRO 81 1.328 -17.750 -1.393 605 HD3 PRO 81 3HD PRO 81 -0.192 -17.711 -2.318 606 H GLN 82 H GLN 82 2.040 -18.377 0.837 607 HA GLN 82 HA GLN 82 2.757 -19.422 3.347 608 HB2 GLN 82 2HB GLN 82 3.696 -16.907 1.952 609 HB3 GLN 82 3HB GLN 82 4.456 -17.588 3.385 610 HG2 GLN 82 2HG GLN 82 5.039 -19.596 2.175 611 HG3 GLN 82 3HG GLN 82 4.186 -19.016 0.744 612 HE21 GLN 82 1HE2 GLN 82 5.086 -17.328 -0.462 613 HE22 GLN 82 2HE2 GLN 82 6.748 -16.879 -0.302 614 H THR 83 H THR 83 1.443 -19.166 5.069 615 HA THR 83 HA THR 83 -0.200 -16.940 5.582 616 HB THR 83 HB THR 83 0.865 -18.846 7.685 617 HG1 THR 83 HG1 THR 83 -0.398 -20.332 6.856 618 HG21 THR 83 3HG2 THR 83 -1.685 -17.217 7.521 619 HG22 THR 83 1HG2 THR 83 -0.324 -16.913 8.602 620 HG23 THR 83 2HG2 THR 83 -1.294 -18.373 8.796 621 H ARG 84 H ARG 84 3.130 -17.639 6.539 622 HA ARG 84 HA ARG 84 3.515 -15.614 8.427 623 HB2 ARG 84 2HB ARG 84 5.493 -16.706 6.408 624 HB3 ARG 84 3HB ARG 84 5.923 -15.695 7.783 625 HG2 ARG 84 2HG ARG 84 4.981 -17.446 9.287 626 HG3 ARG 84 3HG ARG 84 4.739 -18.467 7.866 627 HD2 ARG 84 2HD ARG 84 7.154 -18.359 7.398 628 HD3 ARG 84 3HD ARG 84 7.382 -17.377 8.845 629 HE ARG 84 HE ARG 84 6.093 -19.776 9.553 630 HH11 ARG 84 1HH1 ARG 84 9.159 -18.644 8.479 631 HH12 ARG 84 2HH1 ARG 84 10.024 -19.934 9.238 632 HH21 ARG 84 1HH2 ARG 84 7.212 -21.427 10.527 633 HH22 ARG 84 2HH2 ARG 84 8.937 -21.494 10.379 634 H ASN 85 H ASN 85 3.733 -15.458 4.881 635 HA ASN 85 HA ASN 85 4.406 -12.670 4.818 636 HB2 ASN 85 2HB ASN 85 3.243 -14.434 2.647 637 HB3 ASN 85 3HB ASN 85 3.866 -12.806 2.403 638 HD21 ASN 85 1HD2 ASN 85 4.750 -15.198 1.145 639 HD22 ASN 85 2HD2 ASN 85 6.415 -15.396 1.554 640 H LYS 86 H LYS 86 1.399 -14.518 4.495 641 HA LYS 86 HA LYS 86 -0.311 -12.434 3.758 642 HB2 LYS 86 2HB LYS 86 -0.946 -14.796 3.654 643 HB3 LYS 86 3HB LYS 86 -0.941 -14.894 5.408 644 HG2 LYS 86 2HG LYS 86 -2.850 -13.512 5.591 645 HG3 LYS 86 3HG LYS 86 -2.739 -13.007 3.905 646 HD2 LYS 86 2HD LYS 86 -4.546 -14.624 4.217 647 HD3 LYS 86 3HD LYS 86 -3.281 -15.282 3.179 648 HE2 LYS 86 2HE LYS 86 -2.370 -16.515 5.112 649 HE3 LYS 86 3HE LYS 86 -3.682 -15.886 6.111 650 HZ1 LYS 86 3HZ LYS 86 -4.088 -18.147 5.252 651 HZ2 LYS 86 1HZ LYS 86 -4.077 -17.542 3.677 652 HZ3 LYS 86 2HZ LYS 86 -5.268 -17.044 4.763 653 H PHE 87 H PHE 87 0.767 -13.428 6.985 654 HA PHE 87 HA PHE 87 -0.951 -11.782 8.500 655 HB2 PHE 87 2HB PHE 87 0.520 -13.643 9.381 656 HB3 PHE 87 3HB PHE 87 1.888 -12.545 9.226 657 HD1 PHE 87 HD2 PHE 87 -1.256 -13.181 11.030 658 HD2 PHE 87 HD1 PHE 87 2.265 -10.793 10.812 659 HE1 PHE 87 HE2 PHE 87 -1.725 -12.285 13.275 660 HE2 PHE 87 HE1 PHE 87 1.800 -9.896 13.057 661 HZ PHE 87 HZ PHE 87 -0.200 -10.640 14.289 662 H ALA 88 H ALA 88 2.443 -11.195 7.515 663 HA ALA 88 HA ALA 88 2.601 -8.522 8.368 664 HB1 ALA 88 3HB ALA 88 4.119 -9.848 6.115 665 HB2 ALA 88 1HB ALA 88 4.559 -9.904 7.820 666 HB3 ALA 88 2HB ALA 88 4.583 -8.368 6.955 667 H PHE 89 H PHE 89 1.508 -9.929 5.335 668 HA PHE 89 HA PHE 89 1.253 -7.564 3.830 669 HB2 PHE 89 2HB PHE 89 1.178 -9.894 2.922 670 HB3 PHE 89 3HB PHE 89 -0.424 -10.081 3.620 671 HD1 PHE 89 HD2 PHE 89 1.550 -8.475 0.985 672 HD2 PHE 89 HD1 PHE 89 -2.348 -8.984 2.627 673 HE1 PHE 89 HE2 PHE 89 0.564 -7.550 -1.070 674 HE2 PHE 89 HE1 PHE 89 -3.334 -8.063 0.572 675 HZ PHE 89 HZ PHE 89 -1.879 -7.343 -1.278 676 H ARG 90 H ARG 90 -1.108 -9.302 5.859 677 HA ARG 90 HA ARG 90 -3.282 -7.563 5.461 678 HB2 ARG 90 2HB ARG 90 -2.570 -9.468 7.683 679 HB3 ARG 90 3HB ARG 90 -4.030 -8.493 7.754 680 HG2 ARG 90 2HG ARG 90 -3.418 -10.312 5.434 681 HG3 ARG 90 3HG ARG 90 -4.267 -10.863 6.878 682 HD2 ARG 90 2HD ARG 90 -5.877 -10.279 5.170 683 HD3 ARG 90 3HD ARG 90 -5.991 -9.131 6.502 684 HE ARG 90 HE ARG 90 -4.392 -8.396 4.166 685 HH11 ARG 90 1HH1 ARG 90 -7.257 -7.990 6.026 686 HH12 ARG 90 2HH1 ARG 90 -7.684 -6.510 5.244 687 HH21 ARG 90 1HH2 ARG 90 -4.958 -6.479 3.173 688 HH22 ARG 90 2HH2 ARG 90 -6.386 -5.647 3.679 689 H GLU 91 H GLU 91 -0.832 -7.591 8.070 690 HA GLU 91 HA GLU 91 -1.931 -5.365 9.434 691 HB2 GLU 91 2HB GLU 91 0.029 -5.400 10.806 692 HB3 GLU 91 3HB GLU 91 -0.390 -7.067 10.440 693 HG2 GLU 91 2HG GLU 91 1.724 -7.375 9.856 694 HG3 GLU 91 3HG GLU 91 1.415 -6.372 8.443 695 H ALA 92 H ALA 92 0.689 -5.595 7.020 696 HA ALA 92 HA ALA 92 1.451 -2.888 7.044 697 HB1 ALA 92 3HB ALA 92 2.462 -3.325 4.856 698 HB2 ALA 92 1HB ALA 92 1.591 -4.857 4.760 699 HB3 ALA 92 2HB ALA 92 2.819 -4.616 6.004 700 H VAL 93 H VAL 93 -0.911 -4.587 4.968 701 HA VAL 93 HA VAL 93 -1.780 -2.351 3.505 702 HB VAL 93 HB VAL 93 -3.245 -4.888 4.262 703 HG11 VAL 93 1HG1 VAL 93 -4.882 -4.316 2.508 704 HG12 VAL 93 2HG1 VAL 93 -4.120 -2.734 2.327 705 HG13 VAL 93 3HG1 VAL 93 -4.913 -3.162 3.843 706 HG21 VAL 93 3HG2 VAL 93 -1.288 -5.146 2.794 707 HG22 VAL 93 1HG2 VAL 93 -1.989 -3.987 1.664 708 HG23 VAL 93 2HG2 VAL 93 -2.788 -5.534 1.953 709 H SER 94 H SER 94 -2.764 -3.558 6.688 710 HA SER 94 HA SER 94 -4.891 -1.786 7.171 711 HB2 SER 94 2HB SER 94 -2.902 -2.959 9.141 712 HB3 SER 94 3HB SER 94 -4.384 -2.122 9.599 713 HG SER 94 HG SER 94 -4.273 -4.454 7.969 714 H LYS 95 H LYS 95 -1.409 -1.410 7.949 715 HA LYS 95 HA LYS 95 -1.456 1.235 8.835 716 HB2 LYS 95 2HB LYS 95 0.636 -0.389 7.407 717 HB3 LYS 95 3HB LYS 95 0.909 1.323 7.681 718 HG2 LYS 95 2HG LYS 95 1.990 0.037 9.398 719 HG3 LYS 95 3HG LYS 95 0.667 0.963 10.102 720 HD2 LYS 95 2HD LYS 95 -0.704 -0.971 10.289 721 HD3 LYS 95 3HD LYS 95 0.386 -1.922 9.278 722 HE2 LYS 95 2HE LYS 95 1.095 -0.798 11.991 723 HE3 LYS 95 3HE LYS 95 0.575 -2.457 11.693 724 HZ1 LYS 95 3HZ LYS 95 2.992 -1.186 10.519 725 HZ2 LYS 95 1HZ LYS 95 2.499 -2.787 10.294 726 HZ3 LYS 95 2HZ LYS 95 2.989 -2.263 11.823 727 H LEU 96 H LEU 96 -1.403 -0.014 5.517 728 HA LEU 96 HA LEU 96 -0.879 2.415 4.201 729 HB2 LEU 96 2HB LEU 96 -0.641 0.222 3.135 730 HB3 LEU 96 3HB LEU 96 -2.377 -0.013 3.207 731 HG LEU 96 HG LEU 96 -2.685 1.901 1.656 732 HD11 LEU 96 1HD1 LEU 96 0.329 1.869 1.468 733 HD12 LEU 96 2HD1 LEU 96 -0.647 3.141 2.201 734 HD13 LEU 96 3HD1 LEU 96 -0.764 2.830 0.469 735 HD21 LEU 96 3HD2 LEU 96 -2.599 -0.374 0.781 736 HD22 LEU 96 1HD2 LEU 96 -0.844 -0.272 0.645 737 HD23 LEU 96 2HD2 LEU 96 -1.869 0.757 -0.356 738 H GLU 97 H GLU 97 -4.063 0.796 4.744 739 HA GLU 97 HA GLU 97 -5.508 2.931 3.532 740 HB2 GLU 97 2HB GLU 97 -7.538 1.869 4.416 741 HB3 GLU 97 3HB GLU 97 -6.485 0.715 3.617 742 HG2 GLU 97 2HG GLU 97 -5.757 -0.178 5.719 743 HG3 GLU 97 3HG GLU 97 -6.620 1.081 6.605 744 H LEU 98 H LEU 98 -4.719 2.187 6.910 745 HA LEU 98 HA LEU 98 -6.284 4.265 8.042 746 HB2 LEU 98 2HB LEU 98 -3.816 2.901 9.131 747 HB3 LEU 98 3HB LEU 98 -4.883 3.938 10.061 748 HG LEU 98 HG LEU 98 -5.592 1.265 8.839 749 HD11 LEU 98 1HD1 LEU 98 -4.236 1.037 10.821 750 HD12 LEU 98 2HD1 LEU 98 -5.897 0.569 11.179 751 HD13 LEU 98 3HD1 LEU 98 -5.290 2.139 11.711 752 HD21 LEU 98 3HD2 LEU 98 -7.495 2.765 8.702 753 HD22 LEU 98 1HD2 LEU 98 -7.325 3.171 10.410 754 HD23 LEU 98 2HD2 LEU 98 -7.767 1.532 9.931 755 H SER 99 H SER 99 -2.923 4.148 6.918 756 HA SER 99 HA SER 99 -2.284 6.802 7.772 757 HB2 SER 99 2HB SER 99 -0.535 5.094 7.359 758 HB3 SER 99 3HB SER 99 -0.926 5.124 5.641 759 HG SER 99 HG SER 99 -0.494 7.572 6.069 760 H LEU 100 H LEU 100 -3.735 5.445 4.872 761 HA LEU 100 HA LEU 100 -3.547 7.789 3.265 762 HB2 LEU 100 2HB LEU 100 -5.356 5.381 3.168 763 HB3 LEU 100 3HB LEU 100 -5.536 6.709 2.036 764 HG LEU 100 HG LEU 100 -3.028 5.040 2.349 765 HD11 LEU 100 1HD1 LEU 100 -4.876 3.723 1.424 766 HD12 LEU 100 2HD1 LEU 100 -3.634 4.029 0.213 767 HD13 LEU 100 3HD1 LEU 100 -5.138 4.952 0.186 768 HD21 LEU 100 3HD2 LEU 100 -2.313 6.148 0.284 769 HD22 LEU 100 1HD2 LEU 100 -2.578 7.313 1.582 770 HD23 LEU 100 2HD2 LEU 100 -3.778 7.131 0.303 771 H GLN 101 H GLN 101 -6.067 6.617 5.505 772 HA GLN 101 HA GLN 101 -7.912 8.687 4.849 773 HB2 GLN 101 2HB GLN 101 -9.207 7.955 6.782 774 HB3 GLN 101 3HB GLN 101 -8.681 6.585 5.818 775 HG2 GLN 101 2HG GLN 101 -6.903 6.122 7.434 776 HG3 GLN 101 3HG GLN 101 -7.424 7.502 8.402 777 HE21 GLN 101 1HE2 GLN 101 -7.868 6.201 10.194 778 HE22 GLN 101 2HE2 GLN 101 -9.247 5.160 10.248 779 H GLU 102 H GLU 102 -5.456 8.395 7.420 780 HA GLU 102 HA GLU 102 -6.168 10.870 8.660 781 HB2 GLU 102 2HB GLU 102 -4.033 10.700 9.859 782 HB3 GLU 102 3HB GLU 102 -4.921 9.185 9.910 783 HG2 GLU 102 2HG GLU 102 -3.479 8.248 8.197 784 HG3 GLU 102 3HG GLU 102 -2.621 9.781 8.058 785 H LEU 103 H LEU 103 -3.950 9.995 6.051 786 HA LEU 103 HA LEU 103 -2.593 12.444 5.830 787 HB2 LEU 103 2HB LEU 103 -1.850 10.443 4.648 788 HB3 LEU 103 3HB LEU 103 -3.302 10.458 3.664 789 HG LEU 103 HG LEU 103 -2.586 12.637 2.696 790 HD11 LEU 103 1HD1 LEU 103 -0.042 12.140 4.244 791 HD12 LEU 103 2HD1 LEU 103 -1.198 13.446 4.515 792 HD13 LEU 103 3HD1 LEU 103 -0.273 13.385 3.014 793 HD21 LEU 103 3HD2 LEU 103 -0.833 11.728 1.262 794 HD22 LEU 103 1HD2 LEU 103 -2.113 10.546 1.528 795 HD23 LEU 103 2HD2 LEU 103 -0.584 10.399 2.393 796 H GLN 104 H GLN 104 -5.477 11.320 4.020 797 HA GLN 104 HA GLN 104 -5.758 13.635 2.472 798 HB2 GLN 104 2HB GLN 104 -8.075 12.858 2.041 799 HB3 GLN 104 3HB GLN 104 -6.866 11.598 1.836 800 HG2 GLN 104 2HG GLN 104 -7.437 10.759 4.107 801 HG3 GLN 104 3HG GLN 104 -8.737 11.950 4.170 802 HE21 GLN 104 1HE2 GLN 104 -7.625 9.005 2.690 803 HE22 GLN 104 2HE2 GLN 104 -9.136 8.561 1.982 804 H VAL 105 H VAL 105 -7.128 12.888 5.664 805 HA VAL 105 HA VAL 105 -8.700 15.300 5.751 806 HB VAL 105 HB VAL 105 -9.217 14.733 8.048 807 HG11 VAL 105 1HG1 VAL 105 -10.454 13.555 6.326 808 HG12 VAL 105 2HG1 VAL 105 -10.199 12.499 7.716 809 HG13 VAL 105 3HG1 VAL 105 -9.218 12.294 6.265 810 HG21 VAL 105 3HG2 VAL 105 -7.154 12.535 7.805 811 HG22 VAL 105 1HG2 VAL 105 -8.230 12.797 9.176 812 HG23 VAL 105 2HG2 VAL 105 -6.997 13.995 8.782 813 H SER 106 H SER 106 -5.460 14.421 6.735 814 HA SER 106 HA SER 106 -5.105 17.043 8.064 815 HB2 SER 106 2HB SER 106 -3.453 14.510 8.290 816 HB3 SER 106 3HB SER 106 -3.089 16.027 9.112 817 HG SER 106 HG SER 106 -4.671 14.088 9.942 818 H SER 107 H SER 107 -4.971 16.301 5.105 819 HA SER 107 HA SER 107 -2.290 16.376 4.233 820 HB2 SER 107 2HB SER 107 -3.228 16.928 2.008 821 HB3 SER 107 3HB SER 107 -4.071 15.581 2.767 822 HG SER 107 HG SER 107 -5.844 16.713 2.752 823 H ALA 108 H ALA 108 -4.644 18.997 3.662 824 HA ALA 108 HA ALA 108 -4.532 21.255 3.832 825 HB1 ALA 108 3HB ALA 108 -3.033 22.298 5.419 826 HB2 ALA 108 1HB ALA 108 -2.072 20.823 5.521 827 HB3 ALA 108 2HB ALA 108 -3.734 20.837 6.113 828 H ALA 109 H ALA 109 -1.150 20.135 3.463 829 HA ALA 109 HA ALA 109 -0.144 22.406 2.232 830 HB1 ALA 109 3HB ALA 109 0.809 19.567 1.911 831 HB2 ALA 109 1HB ALA 109 1.234 20.661 3.228 832 HB3 ALA 109 2HB ALA 109 1.746 21.023 1.579 833 H ALA 110 H ALA 110 -2.126 19.966 0.777 834 HA ALA 110 HA ALA 110 -3.030 19.759 -1.295 835 HB1 ALA 110 3HB ALA 110 -3.218 22.203 -1.294 836 HB2 ALA 110 1HB ALA 110 -2.895 21.573 -2.910 837 HB3 ALA 110 2HB ALA 110 -1.599 22.328 -1.982 838 H GLY 111 H GLY 111 0.277 21.054 -1.907 839 HA2 GLY 111 2HA GLY 111 0.988 18.530 -3.219 840 HA3 GLY 111 3HA GLY 111 0.992 19.968 -4.223 841 H VAL 112 H VAL 112 2.167 19.173 -0.948 842 HA VAL 112 HA VAL 112 4.813 20.244 -1.724 843 HB VAL 112 HB VAL 112 3.521 20.415 1.012 844 HG11 VAL 112 1HG1 VAL 112 5.934 20.203 1.188 845 HG12 VAL 112 2HG1 VAL 112 5.444 21.848 1.589 846 HG13 VAL 112 3HG1 VAL 112 6.159 21.503 0.014 847 HG21 VAL 112 3HG2 VAL 112 3.416 22.834 0.601 848 HG22 VAL 112 1HG2 VAL 112 2.455 21.933 -0.573 849 HG23 VAL 112 2HG2 VAL 112 4.029 22.584 -1.034 850 HA PRO 113 HA PRO 113 6.112 16.099 -0.598 851 HB2 PRO 113 2HB PRO 113 8.746 16.369 -1.099 852 HB3 PRO 113 3HB PRO 113 7.550 16.310 -2.401 853 HG2 PRO 113 2HG PRO 113 8.873 18.705 -1.161 854 HG3 PRO 113 3HG PRO 113 8.619 18.337 -2.879 855 HD2 PRO 113 2HD PRO 113 6.995 20.014 -1.479 856 HD3 PRO 113 3HD PRO 113 6.413 19.021 -2.831 857 H GLY 114 H GLY 114 6.826 15.108 1.234 858 HA2 GLY 114 2HA GLY 114 7.727 14.787 3.320 859 HA3 GLY 114 3HA GLY 114 8.880 16.044 2.919 860 H THR 115 H THR 115 5.721 17.265 2.742 861 HA THR 115 HA THR 115 6.075 19.010 4.929 862 HB THR 115 HB THR 115 4.593 19.672 3.146 863 HG1 THR 115 HG1 THR 115 2.538 19.762 4.740 864 HG21 THR 115 3HG2 THR 115 3.726 17.467 2.504 865 HG22 THR 115 1HG2 THR 115 2.411 18.611 2.774 866 HG23 THR 115 2HG2 THR 115 2.786 17.397 3.995 867 H ASN 116 H ASN 116 3.979 16.139 4.641 868 HA ASN 116 HA ASN 116 3.764 16.060 7.584 869 HB2 ASN 116 2HB ASN 116 1.927 14.910 5.461 870 HB3 ASN 116 3HB ASN 116 1.746 14.617 7.187 871 HD21 ASN 116 1HD2 ASN 116 -0.041 15.918 5.267 872 HD22 ASN 116 2HD2 ASN 116 -0.370 17.481 5.922 873 HA PRO 117 HA PRO 117 6.514 12.479 7.500 874 HB2 PRO 117 2HB PRO 117 4.868 11.842 9.928 875 HB3 PRO 117 3HB PRO 117 6.624 11.801 9.719 876 HG2 PRO 117 2HG PRO 117 5.489 13.820 11.011 877 HG3 PRO 117 3HG PRO 117 6.826 14.120 9.881 878 HD2 PRO 117 2HD PRO 117 3.898 14.603 9.526 879 HD3 PRO 117 3HD PRO 117 5.278 15.551 8.934 880 H VAL 118 H VAL 118 3.033 12.338 7.772 881 HA VAL 118 HA VAL 118 2.462 9.651 7.522 882 HB VAL 118 HB VAL 118 0.962 11.886 6.132 883 HG11 VAL 118 1HG1 VAL 118 -0.992 10.430 6.413 884 HG12 VAL 118 2HG1 VAL 118 0.041 9.180 7.108 885 HG13 VAL 118 3HG1 VAL 118 0.253 9.665 5.424 886 HG21 VAL 118 3HG2 VAL 118 0.672 10.861 8.962 887 HG22 VAL 118 1HG2 VAL 118 -0.377 12.045 8.181 888 HG23 VAL 118 2HG2 VAL 118 1.316 12.433 8.485 889 H LEU 119 H LEU 119 3.559 11.880 5.022 890 HA LEU 119 HA LEU 119 3.024 10.335 2.740 891 HB2 LEU 119 2HB LEU 119 5.311 12.251 3.231 892 HB3 LEU 119 3HB LEU 119 4.819 11.650 1.658 893 HG LEU 119 HG LEU 119 3.106 13.364 3.472 894 HD11 LEU 119 1HD1 LEU 119 5.007 14.607 2.553 895 HD12 LEU 119 2HD1 LEU 119 3.479 15.146 1.855 896 HD13 LEU 119 3HD1 LEU 119 4.553 14.097 0.927 897 HD21 LEU 119 3HD2 LEU 119 1.627 13.542 1.508 898 HD22 LEU 119 1HD2 LEU 119 1.756 11.884 2.100 899 HD23 LEU 119 2HD2 LEU 119 2.640 12.374 0.656 900 H ASN 120 H ASN 120 6.007 10.485 4.705 901 HA ASN 120 HA ASN 120 7.301 8.378 3.271 902 HB2 ASN 120 2HB ASN 120 7.910 9.681 5.931 903 HB3 ASN 120 3HB ASN 120 8.922 8.434 5.209 904 HD21 ASN 120 1HD2 ASN 120 9.461 11.254 5.825 905 HD22 ASN 120 2HD2 ASN 120 9.998 11.954 4.340 906 H ASN 121 H ASN 121 5.235 8.501 6.128 907 HA ASN 121 HA ASN 121 5.591 5.876 7.054 908 HB2 ASN 121 2HB ASN 121 3.044 7.519 7.017 909 HB3 ASN 121 3HB ASN 121 3.278 6.046 7.953 910 HD21 ASN 121 1HD2 ASN 121 2.608 8.611 8.968 911 HD22 ASN 121 2HD2 ASN 121 3.886 9.093 10.026 912 H LEU 122 H LEU 122 3.294 7.131 4.633 913 HA LEU 122 HA LEU 122 2.250 4.697 3.737 914 HB2 LEU 122 2HB LEU 122 2.768 7.295 2.291 915 HB3 LEU 122 3HB LEU 122 1.967 5.936 1.522 916 HG LEU 122 HG LEU 122 0.950 7.341 3.999 917 HD11 LEU 122 1HD1 LEU 122 -0.746 8.309 2.524 918 HD12 LEU 122 2HD1 LEU 122 0.050 7.581 1.127 919 HD13 LEU 122 3HD1 LEU 122 0.877 8.824 2.067 920 HD21 LEU 122 3HD2 LEU 122 -1.114 6.091 3.562 921 HD22 LEU 122 1HD2 LEU 122 0.246 5.006 3.849 922 HD23 LEU 122 2HD2 LEU 122 -0.335 5.275 2.206 923 H LEU 123 H LEU 123 5.077 6.505 2.510 924 HA LEU 123 HA LEU 123 5.837 4.834 0.449 925 HB2 LEU 123 2HB LEU 123 6.841 7.029 0.934 926 HB3 LEU 123 3HB LEU 123 7.649 6.349 2.332 927 HG LEU 123 HG LEU 123 8.976 4.879 0.862 928 HD11 LEU 123 1HD1 LEU 123 7.393 4.616 -0.966 929 HD12 LEU 123 2HD1 LEU 123 8.939 5.215 -1.565 930 HD13 LEU 123 3HD1 LEU 123 7.574 6.319 -1.391 931 HD21 LEU 123 3HD2 LEU 123 10.374 6.628 -0.147 932 HD22 LEU 123 1HD2 LEU 123 9.879 7.053 1.492 933 HD23 LEU 123 2HD2 LEU 123 9.083 7.801 0.108 934 H SER 124 H SER 124 6.915 4.631 3.846 935 HA SER 124 HA SER 124 8.531 2.356 3.606 936 HB2 SER 124 2HB SER 124 8.582 3.712 5.630 937 HB3 SER 124 3HB SER 124 6.905 3.302 5.989 938 HG SER 124 HG SER 124 8.840 1.261 5.709 939 H CYS 125 H CYS 125 5.063 2.568 4.443 940 HA CYS 125 HA CYS 125 4.649 -0.207 4.769 941 HB2 CYS 125 2HB CYS 125 2.668 1.951 3.998 942 HB3 CYS 125 3HB CYS 125 2.235 0.329 4.530 943 HG CYS 125 HG CYS 125 3.109 3.002 6.320 944 H VAL 126 H VAL 126 4.313 1.876 1.913 945 HA VAL 126 HA VAL 126 3.174 -0.006 0.160 946 HB VAL 126 HB VAL 126 4.952 2.374 -0.440 947 HG11 VAL 126 1HG1 VAL 126 4.099 2.243 -2.739 948 HG12 VAL 126 2HG1 VAL 126 3.260 0.745 -2.339 949 HG13 VAL 126 3HG1 VAL 126 5.021 0.801 -2.310 950 HG21 VAL 126 3HG2 VAL 126 1.948 2.035 -0.547 951 HG22 VAL 126 1HG2 VAL 126 2.837 3.485 -1.015 952 HG23 VAL 126 2HG2 VAL 126 2.847 2.948 0.663 953 H GLN 127 H GLN 127 6.600 0.948 0.537 954 HA GLN 127 HA GLN 127 7.676 -0.979 -1.214 955 HB2 GLN 127 2HB GLN 127 8.966 0.308 1.209 956 HB3 GLN 127 3HB GLN 127 9.823 -0.547 -0.068 957 HG2 GLN 127 2HG GLN 127 9.125 1.126 -1.691 958 HG3 GLN 127 3HG GLN 127 8.202 1.971 -0.447 959 HE21 GLN 127 1HE2 GLN 127 10.416 2.919 -2.096 960 HE22 GLN 127 2HE2 GLN 127 11.629 3.452 -0.990 961 H GLU 128 H GLU 128 7.024 -1.080 2.266 962 HA GLU 128 HA GLU 128 8.133 -3.553 2.910 963 HB2 GLU 128 2HB GLU 128 7.126 -1.826 4.484 964 HB3 GLU 128 3HB GLU 128 5.548 -2.472 4.055 965 HG2 GLU 128 2HG GLU 128 6.141 -3.494 6.091 966 HG3 GLU 128 3HG GLU 128 6.376 -4.718 4.843 967 H ILE 129 H ILE 129 4.733 -2.865 1.993 968 HA ILE 129 HA ILE 129 3.778 -5.471 1.833 969 HB ILE 129 HB ILE 129 3.011 -3.090 0.121 970 HG12 ILE 129 2HG1 ILE 129 1.707 -4.227 2.613 971 HG13 ILE 129 3HG1 ILE 129 2.718 -2.788 2.573 972 HG21 ILE 129 1HG2 ILE 129 0.898 -4.289 -0.310 973 HG22 ILE 129 2HG2 ILE 129 1.542 -5.701 0.527 974 HG23 ILE 129 3HG2 ILE 129 2.294 -5.143 -0.968 975 HD11 ILE 129 3HD1 ILE 129 1.096 -1.691 1.115 976 HD12 ILE 129 1HD1 ILE 129 0.372 -2.204 2.638 977 HD13 ILE 129 2HD1 ILE 129 0.081 -3.133 1.168 978 H SER 130 H SER 130 5.228 -3.510 -0.770 979 HA SER 130 HA SER 130 5.117 -5.389 -2.833 980 HB2 SER 130 2HB SER 130 5.724 -3.016 -3.185 981 HB3 SER 130 3HB SER 130 7.271 -3.296 -2.386 982 HG SER 130 HG SER 130 6.425 -3.987 -4.931 983 H ASP 131 H ASP 131 7.503 -5.007 -0.265 984 HA ASP 131 HA ASP 131 9.320 -6.979 -1.255 985 HB2 ASP 131 2HB ASP 131 10.085 -5.215 0.219 986 HB3 ASP 131 3HB ASP 131 8.987 -5.744 1.487 987 H VAL 132 H VAL 132 6.801 -7.031 1.277 988 HA VAL 132 HA VAL 132 7.187 -9.595 2.267 989 HB VAL 132 HB VAL 132 4.576 -8.091 1.955 990 HG11 VAL 132 1HG1 VAL 132 5.213 -10.509 3.654 991 HG12 VAL 132 2HG1 VAL 132 4.102 -10.450 2.284 992 HG13 VAL 132 3HG1 VAL 132 3.732 -9.556 3.758 993 HG21 VAL 132 3HG2 VAL 132 6.483 -8.323 4.293 994 HG22 VAL 132 1HG2 VAL 132 4.925 -7.497 4.322 995 HG23 VAL 132 2HG2 VAL 132 6.225 -6.891 3.297 996 H VAL 133 H VAL 133 5.217 -8.597 -0.521 997 HA VAL 133 HA VAL 133 4.151 -11.130 -1.142 998 HB VAL 133 HB VAL 133 4.749 -8.857 -3.057 999 HG11 VAL 133 1HG1 VAL 133 2.949 -9.824 -4.430 1000 HG12 VAL 133 2HG1 VAL 133 2.823 -11.176 -3.303 1001 HG13 VAL 133 3HG1 VAL 133 4.299 -10.941 -4.238 1002 HG21 VAL 133 3HG2 VAL 133 2.426 -8.170 -2.666 1003 HG22 VAL 133 1HG2 VAL 133 3.370 -8.121 -1.179 1004 HG23 VAL 133 2HG2 VAL 133 2.246 -9.450 -1.467 1005 H GLN 134 H GLN 134 7.303 -9.769 -1.749 1006 HA GLN 134 HA GLN 134 7.973 -11.649 -3.858 1007 HB2 GLN 134 2HB GLN 134 9.741 -9.667 -2.409 1008 HB3 GLN 134 3HB GLN 134 10.158 -10.551 -3.870 1009 HG2 GLN 134 2HG GLN 134 8.327 -9.392 -5.059 1010 HG3 GLN 134 3HG GLN 134 8.003 -8.464 -3.593 1011 HE21 GLN 134 1HE2 GLN 134 8.481 -6.487 -4.498 1012 HE22 GLN 134 2HE2 GLN 134 10.083 -6.023 -4.957 1013 H ARG 135 H ARG 135 7.941 -11.820 -0.502 1014 HA ARG 135 HA ARG 135 10.406 -13.224 -0.065 1015 HB2 ARG 135 2HB ARG 135 7.960 -12.977 1.703 1016 HB3 ARG 135 3HB ARG 135 9.521 -13.615 2.209 1017 HG2 ARG 135 2HG ARG 135 10.562 -11.447 1.764 1018 HG3 ARG 135 3HG ARG 135 9.007 -10.807 1.230 1019 HD2 ARG 135 2HD ARG 135 8.098 -11.273 3.495 1020 HD3 ARG 135 3HD ARG 135 9.713 -11.774 4.003 1021 HE ARG 135 HE ARG 135 9.981 -9.240 2.924 1022 HH11 ARG 135 1HH1 ARG 135 8.331 -10.676 5.588 1023 HH12 ARG 135 2HH1 ARG 135 8.363 -9.225 6.522 1024 HH21 ARG 135 1HH2 ARG 135 10.015 -7.409 4.108 1025 HH22 ARG 135 2HH2 ARG 135 9.310 -7.384 5.691 Start of MODEL 17 1 H1 MET 1 1H MET 1 -35.886 -26.762 -34.520 2 H2 MET 1 2H MET 1 -35.474 -25.156 -34.166 3 H3 MET 1 3H MET 1 -36.744 -25.901 -33.342 4 HA MET 1 HA MET 1 -34.760 -25.752 -31.964 5 HB2 MET 1 2HB MET 1 -35.437 -28.585 -32.786 6 HB3 MET 1 3HB MET 1 -34.686 -28.106 -31.270 7 HG2 MET 1 2HG MET 1 -37.009 -28.578 -30.902 8 HG3 MET 1 3HG MET 1 -36.725 -26.849 -30.688 9 HE1 MET 1 3HE MET 1 -39.449 -26.676 -30.798 10 HE2 MET 1 1HE MET 1 -39.589 -28.392 -31.174 11 HE3 MET 1 2HE MET 1 -40.388 -27.197 -32.197 12 H GLY 2 H GLY 2 -33.980 -26.097 -35.090 13 HA2 GLY 2 2HA GLY 2 -31.771 -27.933 -34.985 14 HA3 GLY 2 3HA GLY 2 -32.234 -26.930 -36.344 15 H HIS 3 H HIS 3 -30.549 -25.742 -36.967 16 HA HIS 3 HA HIS 3 -28.696 -24.703 -34.910 17 HB2 HIS 3 2HB HIS 3 -27.927 -25.508 -37.722 18 HB3 HIS 3 3HB HIS 3 -26.849 -25.113 -36.384 19 HD1 HIS 3 HD1 HIS 3 -26.890 -26.916 -34.349 20 HD2 HIS 3 HD2 HIS 3 -28.540 -28.152 -37.956 21 HE1 HIS 3 HE1 HIS 3 -27.002 -29.419 -34.214 22 HE2 HIS 3 HE2 HIS 3 -28.190 -30.119 -36.315 23 H HIS 4 H HIS 4 -31.045 -23.377 -36.364 24 HA HIS 4 HA HIS 4 -30.053 -21.520 -38.234 25 HB2 HIS 4 2HB HIS 4 -32.414 -21.325 -36.360 26 HB3 HIS 4 3HB HIS 4 -32.062 -20.126 -37.596 27 HD1 HIS 4 HD1 HIS 4 -31.331 -22.104 -39.907 28 HD2 HIS 4 HD2 HIS 4 -34.663 -22.418 -37.448 29 HE1 HIS 4 HE1 HIS 4 -33.023 -23.399 -41.229 30 HE2 HIS 4 HE2 HIS 4 -35.092 -23.392 -39.802 31 H HIS 5 H HIS 5 -29.926 -21.520 -34.746 32 HA HIS 5 HA HIS 5 -29.034 -20.129 -33.194 33 HB2 HIS 5 2HB HIS 5 -27.739 -18.753 -35.559 34 HB3 HIS 5 3HB HIS 5 -27.341 -18.447 -33.870 35 HD1 HIS 5 HD1 HIS 5 -26.559 -20.657 -36.685 36 HD2 HIS 5 HD2 HIS 5 -26.102 -20.729 -32.555 37 HE1 HIS 5 HE1 HIS 5 -24.889 -22.471 -36.226 38 HE2 HIS 5 HE2 HIS 5 -24.726 -22.583 -33.719 39 H HIS 6 H HIS 6 -29.769 -17.940 -35.943 40 HA HIS 6 HA HIS 6 -30.940 -15.905 -34.402 41 HB2 HIS 6 2HB HIS 6 -30.169 -15.834 -36.848 42 HB3 HIS 6 3HB HIS 6 -31.722 -16.557 -37.250 43 HD1 HIS 6 HD1 HIS 6 -30.281 -13.424 -35.684 44 HD2 HIS 6 HD2 HIS 6 -33.798 -14.757 -37.449 45 HE1 HIS 6 HE1 HIS 6 -31.727 -11.391 -35.921 46 HE2 HIS 6 HE2 HIS 6 -33.779 -12.194 -37.127 47 H HIS 7 H HIS 7 -33.335 -15.259 -34.609 48 HA HIS 7 HA HIS 7 -35.530 -15.641 -34.140 49 HB2 HIS 7 2HB HIS 7 -34.965 -18.521 -34.891 50 HB3 HIS 7 3HB HIS 7 -36.551 -17.910 -34.435 51 HD1 HIS 7 HD1 HIS 7 -37.812 -16.484 -36.158 52 HD2 HIS 7 HD2 HIS 7 -34.096 -17.791 -37.474 53 HE1 HIS 7 HE1 HIS 7 -37.774 -16.021 -38.620 54 HE2 HIS 7 HE2 HIS 7 -35.608 -17.003 -39.422 55 H HIS 8 H HIS 8 -32.999 -17.473 -32.673 56 HA HIS 8 HA HIS 8 -34.462 -17.824 -30.178 57 HB2 HIS 8 2HB HIS 8 -31.576 -18.372 -30.928 58 HB3 HIS 8 3HB HIS 8 -32.262 -18.689 -29.340 59 HD1 HIS 8 HD1 HIS 8 -31.621 -20.287 -32.490 60 HD2 HIS 8 HD2 HIS 8 -34.502 -20.639 -29.519 61 HE1 HIS 8 HE1 HIS 8 -32.650 -22.549 -32.821 62 HE2 HIS 8 HE2 HIS 8 -34.223 -22.816 -30.882 63 H SER 9 H SER 9 -33.031 -17.097 -28.159 64 HA SER 9 HA SER 9 -32.181 -14.299 -28.617 65 HB2 SER 9 2HB SER 9 -32.975 -13.746 -26.372 66 HB3 SER 9 3HB SER 9 -34.285 -14.454 -27.311 67 HG SER 9 HG SER 9 -33.283 -15.264 -24.974 68 H HIS 10 H HIS 10 -30.354 -13.538 -27.561 69 HA HIS 10 HA HIS 10 -28.977 -15.148 -25.607 70 HB2 HIS 10 2HB HIS 10 -26.800 -15.113 -26.961 71 HB3 HIS 10 3HB HIS 10 -28.018 -16.288 -27.430 72 HD1 HIS 10 HD1 HIS 10 -28.454 -16.397 -29.855 73 HD2 HIS 10 HD2 HIS 10 -26.927 -12.697 -28.754 74 HE1 HIS 10 HE1 HIS 10 -28.154 -15.135 -31.997 75 HE2 HIS 10 HE2 HIS 10 -27.400 -12.846 -31.289 76 H MET 11 H MET 11 -28.436 -13.736 -24.107 77 HA MET 11 HA MET 11 -28.164 -10.918 -24.731 78 HB2 MET 11 2HB MET 11 -27.939 -12.341 -22.069 79 HB3 MET 11 3HB MET 11 -28.080 -10.604 -22.304 80 HG2 MET 11 2HG MET 11 -30.317 -10.920 -23.259 81 HG3 MET 11 3HG MET 11 -30.174 -12.660 -23.005 82 HE1 MET 11 3HE MET 11 -29.986 -13.779 -20.555 83 HE2 MET 11 1HE MET 11 -29.977 -12.833 -19.066 84 HE3 MET 11 2HE MET 11 -28.627 -12.715 -20.193 85 H ALA 12 H ALA 12 -26.373 -9.618 -23.952 86 HA ALA 12 HA ALA 12 -23.773 -10.767 -24.342 87 HB1 ALA 12 3HB ALA 12 -22.940 -8.515 -23.797 88 HB2 ALA 12 1HB ALA 12 -24.569 -8.031 -23.326 89 HB3 ALA 12 2HB ALA 12 -24.227 -8.461 -25.002 90 H ASN 13 H ASN 13 -22.028 -10.634 -22.697 91 HA ASN 13 HA ASN 13 -22.839 -12.026 -20.354 92 HB2 ASN 13 2HB ASN 13 -20.134 -10.853 -21.052 93 HB3 ASN 13 3HB ASN 13 -20.444 -12.001 -19.750 94 HD21 ASN 13 1HD2 ASN 13 -18.715 -12.290 -22.048 95 HD22 ASN 13 2HD2 ASN 13 -19.278 -13.677 -22.911 96 H GLY 14 H GLY 14 -24.212 -10.715 -19.159 97 HA2 GLY 14 2HA GLY 14 -22.836 -8.750 -17.466 98 HA3 GLY 14 3HA GLY 14 -24.276 -8.222 -18.326 99 H ALA 15 H ALA 15 -24.266 -8.038 -15.610 100 HA ALA 15 HA ALA 15 -26.451 -9.735 -14.837 101 HB1 ALA 15 3HB ALA 15 -25.387 -10.851 -12.952 102 HB2 ALA 15 1HB ALA 15 -23.840 -10.105 -13.359 103 HB3 ALA 15 2HB ALA 15 -24.569 -11.277 -14.455 104 H ALA 16 H ALA 16 -27.273 -9.215 -12.653 105 HA ALA 16 HA ALA 16 -27.026 -6.393 -12.088 106 HB1 ALA 16 3HB ALA 16 -28.810 -6.778 -10.451 107 HB2 ALA 16 1HB ALA 16 -28.670 -8.518 -10.708 108 HB3 ALA 16 2HB ALA 16 -29.213 -7.474 -12.021 109 H GLY 17 H GLY 17 -25.309 -5.687 -10.959 110 HA2 GLY 17 2HA GLY 17 -23.847 -7.423 -9.172 111 HA3 GLY 17 3HA GLY 17 -23.442 -5.769 -9.581 112 H THR 18 H THR 18 -26.653 -6.164 -8.451 113 HA THR 18 HA THR 18 -26.432 -4.418 -6.316 114 HB THR 18 HB THR 18 -28.442 -6.677 -6.527 115 HG1 THR 18 HG1 THR 18 -29.423 -4.319 -7.321 116 HG21 THR 18 3HG2 THR 18 -29.910 -5.165 -5.243 117 HG22 THR 18 1HG2 THR 18 -28.578 -4.019 -5.088 118 HG23 THR 18 2HG2 THR 18 -28.467 -5.609 -4.332 119 H LYS 19 H LYS 19 -26.622 -7.981 -6.084 120 HA LYS 19 HA LYS 19 -26.096 -8.017 -3.276 121 HB2 LYS 19 2HB LYS 19 -25.971 -10.466 -3.553 122 HB3 LYS 19 3HB LYS 19 -27.403 -9.779 -4.306 123 HG2 LYS 19 2HG LYS 19 -26.246 -9.894 -6.504 124 HG3 LYS 19 3HG LYS 19 -24.897 -10.707 -5.706 125 HD2 LYS 19 2HD LYS 19 -26.417 -12.517 -5.004 126 HD3 LYS 19 3HD LYS 19 -27.753 -11.706 -5.823 127 HE2 LYS 19 2HE LYS 19 -26.484 -11.906 -7.961 128 HE3 LYS 19 3HE LYS 19 -25.262 -12.841 -7.099 129 HZ1 LYS 19 3HZ LYS 19 -27.134 -14.386 -6.478 130 HZ2 LYS 19 1HZ LYS 19 -26.688 -14.390 -8.109 131 HZ3 LYS 19 2HZ LYS 19 -28.081 -13.575 -7.618 132 H VAL 20 H VAL 20 -24.073 -8.283 -6.132 133 HA VAL 20 HA VAL 20 -21.794 -9.334 -4.749 134 HB VAL 20 HB VAL 20 -21.846 -8.028 -7.477 135 HG11 VAL 20 1HG1 VAL 20 -19.590 -8.291 -6.612 136 HG12 VAL 20 2HG1 VAL 20 -19.868 -9.443 -7.919 137 HG13 VAL 20 3HG1 VAL 20 -19.901 -9.988 -6.242 138 HG21 VAL 20 3HG2 VAL 20 -22.257 -10.942 -6.775 139 HG22 VAL 20 1HG2 VAL 20 -22.153 -10.272 -8.404 140 HG23 VAL 20 2HG2 VAL 20 -23.503 -9.835 -7.355 141 H ALA 21 H ALA 21 -23.137 -6.305 -5.023 142 HA ALA 21 HA ALA 21 -20.914 -4.581 -5.014 143 HB1 ALA 21 3HB ALA 21 -23.608 -4.132 -3.724 144 HB2 ALA 21 1HB ALA 21 -23.213 -3.818 -5.413 145 HB3 ALA 21 2HB ALA 21 -22.430 -2.887 -4.137 146 H LEU 22 H LEU 22 -22.178 -6.625 -2.536 147 HA LEU 22 HA LEU 22 -21.055 -5.231 -0.295 148 HB2 LEU 22 2HB LEU 22 -21.953 -8.112 -0.522 149 HB3 LEU 22 3HB LEU 22 -21.629 -7.254 0.973 150 HG LEU 22 HG LEU 22 -23.853 -6.625 -0.981 151 HD11 LEU 22 1HD1 LEU 22 -23.945 -7.829 1.786 152 HD12 LEU 22 2HD1 LEU 22 -24.256 -8.676 0.270 153 HD13 LEU 22 3HD1 LEU 22 -25.341 -7.391 0.800 154 HD21 LEU 22 3HD2 LEU 22 -24.619 -5.017 0.692 155 HD22 LEU 22 1HD2 LEU 22 -23.010 -4.602 0.100 156 HD23 LEU 22 2HD2 LEU 22 -23.199 -5.357 1.684 157 H ARG 23 H ARG 23 -19.821 -7.476 -2.620 158 HA ARG 23 HA ARG 23 -17.782 -8.381 -3.002 159 HB2 ARG 23 2HB ARG 23 -17.058 -6.215 -1.076 160 HB3 ARG 23 3HB ARG 23 -15.839 -7.403 -1.502 161 HG2 ARG 23 2HG ARG 23 -15.561 -5.509 -2.919 162 HG3 ARG 23 3HG ARG 23 -16.193 -6.833 -3.896 163 HD2 ARG 23 2HD ARG 23 -18.429 -5.860 -3.779 164 HD3 ARG 23 3HD ARG 23 -17.821 -4.558 -2.756 165 HE ARG 23 HE ARG 23 -16.473 -4.776 -5.293 166 HH11 ARG 23 1HH1 ARG 23 -19.130 -3.371 -3.596 167 HH12 ARG 23 2HH1 ARG 23 -19.344 -2.109 -4.761 168 HH21 ARG 23 1HH2 ARG 23 -16.753 -3.121 -6.773 169 HH22 ARG 23 2HH2 ARG 23 -18.026 -1.973 -6.526 170 H LYS 24 H LYS 24 -19.265 -8.850 0.007 171 HA LYS 24 HA LYS 24 -17.334 -10.322 1.419 172 HB2 LYS 24 2HB LYS 24 -20.340 -10.658 1.429 173 HB3 LYS 24 3HB LYS 24 -19.248 -11.395 2.593 174 HG2 LYS 24 2HG LYS 24 -18.512 -9.077 3.226 175 HG3 LYS 24 3HG LYS 24 -19.817 -8.461 2.210 176 HD2 LYS 24 2HD LYS 24 -20.144 -10.307 4.585 177 HD3 LYS 24 3HD LYS 24 -20.490 -8.579 4.568 178 HE2 LYS 24 2HE LYS 24 -22.272 -8.890 2.985 179 HE3 LYS 24 3HE LYS 24 -21.858 -10.592 2.783 180 HZ1 LYS 24 3HZ LYS 24 -22.757 -9.400 5.346 181 HZ2 LYS 24 1HZ LYS 24 -22.532 -11.042 5.005 182 HZ3 LYS 24 2HZ LYS 24 -23.783 -10.184 4.258 183 H THR 25 H THR 25 -20.102 -11.749 -0.359 184 HA THR 25 HA THR 25 -18.589 -14.220 -0.709 185 HB THR 25 HB THR 25 -20.674 -15.123 -1.704 186 HG1 THR 25 HG1 THR 25 -21.538 -13.169 -2.534 187 HG21 THR 25 3HG2 THR 25 -21.089 -13.744 0.954 188 HG22 THR 25 1HG2 THR 25 -20.248 -15.278 0.715 189 HG23 THR 25 2HG2 THR 25 -21.972 -15.151 0.358 190 H LYS 26 H LYS 26 -17.190 -14.233 -2.326 191 HA LYS 26 HA LYS 26 -17.498 -12.699 -4.733 192 HB2 LYS 26 2HB LYS 26 -15.605 -15.009 -4.290 193 HB3 LYS 26 3HB LYS 26 -15.435 -13.701 -5.445 194 HG2 LYS 26 2HG LYS 26 -15.186 -12.109 -3.563 195 HG3 LYS 26 3HG LYS 26 -15.240 -13.470 -2.443 196 HD2 LYS 26 2HD LYS 26 -13.179 -13.027 -4.610 197 HD3 LYS 26 3HD LYS 26 -12.933 -12.782 -2.881 198 HE2 LYS 26 2HE LYS 26 -13.669 -15.431 -4.131 199 HE3 LYS 26 3HE LYS 26 -12.018 -14.937 -3.768 200 HZ1 LYS 26 3HZ LYS 26 -14.155 -15.092 -1.716 201 HZ2 LYS 26 1HZ LYS 26 -12.495 -14.898 -1.463 202 HZ3 LYS 26 2HZ LYS 26 -13.094 -16.364 -2.054 203 H GLN 27 H GLN 27 -18.118 -13.415 -6.787 204 HA GLN 27 HA GLN 27 -19.966 -15.671 -6.618 205 HB2 GLN 27 2HB GLN 27 -21.005 -14.764 -8.652 206 HB3 GLN 27 3HB GLN 27 -20.908 -13.573 -7.364 207 HG2 GLN 27 2HG GLN 27 -18.972 -12.548 -8.465 208 HG3 GLN 27 3HG GLN 27 -19.084 -13.738 -9.762 209 HE21 GLN 27 1HE2 GLN 27 -22.031 -13.682 -9.722 210 HE22 GLN 27 2HE2 GLN 27 -22.484 -12.194 -10.464 211 H ALA 28 H ALA 28 -17.603 -14.533 -9.074 212 HA ALA 28 HA ALA 28 -16.708 -17.209 -9.611 213 HB1 ALA 28 3HB ALA 28 -18.304 -15.832 -11.778 214 HB2 ALA 28 1HB ALA 28 -18.855 -17.212 -10.827 215 HB3 ALA 28 2HB ALA 28 -17.473 -17.384 -11.909 216 H ALA 29 H ALA 29 -14.818 -17.264 -10.884 217 HA ALA 29 HA ALA 29 -13.081 -15.123 -10.661 218 HB1 ALA 29 3HB ALA 29 -12.374 -17.441 -11.019 219 HB2 ALA 29 1HB ALA 29 -11.579 -16.332 -12.138 220 HB3 ALA 29 2HB ALA 29 -12.913 -17.343 -12.696 221 H GLU 30 H GLU 30 -15.489 -15.588 -13.068 222 HA GLU 30 HA GLU 30 -14.614 -14.134 -15.247 223 HB2 GLU 30 2HB GLU 30 -17.406 -13.833 -14.146 224 HB3 GLU 30 3HB GLU 30 -16.893 -13.835 -15.826 225 HG2 GLU 30 2HG GLU 30 -16.925 -16.213 -13.970 226 HG3 GLU 30 3HG GLU 30 -18.087 -15.876 -15.248 227 H LYS 31 H LYS 31 -15.822 -12.954 -12.150 228 HA LYS 31 HA LYS 31 -15.070 -10.206 -12.926 229 HB2 LYS 31 2HB LYS 31 -17.486 -10.325 -12.886 230 HB3 LYS 31 3HB LYS 31 -17.469 -11.075 -11.296 231 HG2 LYS 31 2HG LYS 31 -16.621 -9.029 -10.304 232 HG3 LYS 31 3HG LYS 31 -16.519 -8.270 -11.892 233 HD2 LYS 31 2HD LYS 31 -19.140 -9.346 -10.902 234 HD3 LYS 31 3HD LYS 31 -18.559 -7.783 -10.334 235 HE2 LYS 31 2HE LYS 31 -20.074 -7.554 -12.249 236 HE3 LYS 31 3HE LYS 31 -18.458 -6.958 -12.619 237 HZ1 LYS 31 3HZ LYS 31 -19.471 -9.641 -13.391 238 HZ2 LYS 31 1HZ LYS 31 -18.002 -8.941 -13.851 239 HZ3 LYS 31 2HZ LYS 31 -19.455 -8.293 -14.411 240 H ILE 32 H ILE 32 -14.606 -12.738 -10.675 241 HA ILE 32 HA ILE 32 -14.061 -11.264 -8.325 242 HB ILE 32 HB ILE 32 -12.958 -13.950 -9.193 243 HG12 ILE 32 2HG1 ILE 32 -15.154 -13.239 -7.221 244 HG13 ILE 32 3HG1 ILE 32 -15.412 -13.871 -8.843 245 HG21 ILE 32 1HG2 ILE 32 -11.457 -12.919 -7.562 246 HG22 ILE 32 2HG2 ILE 32 -12.310 -14.284 -6.850 247 HG23 ILE 32 3HG2 ILE 32 -12.814 -12.636 -6.472 248 HD11 ILE 32 3HD1 ILE 32 -15.657 -15.612 -7.166 249 HD12 ILE 32 1HD1 ILE 32 -14.020 -15.309 -6.589 250 HD13 ILE 32 2HD1 ILE 32 -14.280 -15.947 -8.213 251 H SER 33 H SER 33 -12.867 -9.442 -8.888 252 HA SER 33 HA SER 33 -10.446 -9.351 -10.251 253 HB2 SER 33 2HB SER 33 -11.260 -7.603 -7.909 254 HB3 SER 33 3HB SER 33 -10.052 -7.211 -9.133 255 HG SER 33 HG SER 33 -11.776 -7.334 -10.694 256 H ALA 34 H ALA 34 -11.108 -10.137 -6.891 257 HA ALA 34 HA ALA 34 -8.651 -9.969 -5.686 258 HB1 ALA 34 3HB ALA 34 -10.708 -10.536 -4.508 259 HB2 ALA 34 1HB ALA 34 -9.430 -11.694 -4.137 260 HB3 ALA 34 2HB ALA 34 -10.716 -12.129 -5.265 261 H ASP 35 H ASP 35 -9.765 -12.548 -7.834 262 HA ASP 35 HA ASP 35 -7.316 -14.087 -7.412 263 HB2 ASP 35 2HB ASP 35 -9.590 -15.181 -7.550 264 HB3 ASP 35 3HB ASP 35 -9.640 -14.723 -9.250 265 H LYS 36 H LYS 36 -8.670 -11.819 -9.612 266 HA LYS 36 HA LYS 36 -6.955 -12.418 -11.849 267 HB2 LYS 36 2HB LYS 36 -9.165 -11.400 -12.166 268 HB3 LYS 36 3HB LYS 36 -8.673 -9.993 -11.237 269 HG2 LYS 36 2HG LYS 36 -7.095 -10.704 -13.668 270 HG3 LYS 36 3HG LYS 36 -8.696 -9.998 -13.882 271 HD2 LYS 36 2HD LYS 36 -8.025 -8.075 -12.496 272 HD3 LYS 36 3HD LYS 36 -6.420 -8.780 -12.300 273 HE2 LYS 36 2HE LYS 36 -6.066 -8.644 -14.726 274 HE3 LYS 36 3HE LYS 36 -7.673 -7.945 -14.920 275 HZ1 LYS 36 3HZ LYS 36 -6.933 -6.080 -13.504 276 HZ2 LYS 36 1HZ LYS 36 -6.055 -6.211 -14.945 277 HZ3 LYS 36 2HZ LYS 36 -5.373 -6.730 -13.489 278 H ILE 37 H ILE 37 -6.656 -10.616 -8.922 279 HA ILE 37 HA ILE 37 -4.726 -8.705 -9.670 280 HB ILE 37 HB ILE 37 -5.027 -10.043 -6.965 281 HG12 ILE 37 2HG1 ILE 37 -7.132 -9.024 -7.595 282 HG13 ILE 37 3HG1 ILE 37 -6.365 -8.010 -6.380 283 HG21 ILE 37 1HG2 ILE 37 -3.937 -8.028 -6.077 284 HG22 ILE 37 2HG2 ILE 37 -3.698 -7.437 -7.721 285 HG23 ILE 37 3HG2 ILE 37 -2.886 -8.908 -7.186 286 HD11 ILE 37 3HD1 ILE 37 -5.649 -6.462 -8.106 287 HD12 ILE 37 1HD1 ILE 37 -7.395 -6.697 -8.148 288 HD13 ILE 37 2HD1 ILE 37 -6.369 -7.490 -9.345 289 H SER 38 H SER 38 -3.253 -9.763 -11.066 290 HA SER 38 HA SER 38 -1.630 -11.950 -10.294 291 HB2 SER 38 2HB SER 38 -1.041 -9.779 -12.330 292 HB3 SER 38 3HB SER 38 -0.201 -11.325 -12.206 293 HG SER 38 HG SER 38 -1.698 -11.829 -13.643 294 H LYS 39 H LYS 39 0.303 -12.063 -9.244 295 HA LYS 39 HA LYS 39 1.070 -10.270 -7.323 296 HB2 LYS 39 2HB LYS 39 1.922 -12.508 -7.304 297 HB3 LYS 39 3HB LYS 39 2.735 -12.280 -8.845 298 HG2 LYS 39 2HG LYS 39 4.309 -10.745 -7.830 299 HG3 LYS 39 3HG LYS 39 3.458 -10.848 -6.290 300 HD2 LYS 39 2HD LYS 39 4.041 -13.180 -6.064 301 HD3 LYS 39 3HD LYS 39 4.749 -13.200 -7.680 302 HE2 LYS 39 2HE LYS 39 6.468 -11.614 -6.951 303 HE3 LYS 39 3HE LYS 39 5.750 -11.565 -5.341 304 HZ1 LYS 39 3HZ LYS 39 6.760 -14.057 -6.586 305 HZ2 LYS 39 1HZ LYS 39 6.330 -13.812 -4.968 306 HZ3 LYS 39 2HZ LYS 39 7.712 -13.069 -5.600 307 H GLU 40 H GLU 40 2.643 -10.571 -10.527 308 HA GLU 40 HA GLU 40 4.374 -8.415 -10.379 309 HB2 GLU 40 2HB GLU 40 4.180 -8.328 -12.887 310 HB3 GLU 40 3HB GLU 40 4.530 -9.919 -12.228 311 HG2 GLU 40 2HG GLU 40 2.169 -10.539 -12.473 312 HG3 GLU 40 3HG GLU 40 1.825 -8.950 -13.150 313 H ALA 41 H ALA 41 0.966 -8.363 -11.445 314 HA ALA 41 HA ALA 41 0.845 -5.657 -12.184 315 HB1 ALA 41 3HB ALA 41 -1.383 -7.391 -11.107 316 HB2 ALA 41 1HB ALA 41 -0.868 -7.302 -12.792 317 HB3 ALA 41 2HB ALA 41 -1.577 -5.888 -12.011 318 H LEU 42 H LEU 42 0.338 -7.228 -9.054 319 HA LEU 42 HA LEU 42 -0.491 -4.946 -7.607 320 HB2 LEU 42 2HB LEU 42 -0.627 -7.373 -6.886 321 HB3 LEU 42 3HB LEU 42 1.086 -7.298 -6.530 322 HG LEU 42 HG LEU 42 -0.875 -5.427 -5.187 323 HD11 LEU 42 1HD1 LEU 42 -1.679 -7.684 -4.761 324 HD12 LEU 42 2HD1 LEU 42 -0.957 -7.006 -3.303 325 HD13 LEU 42 3HD1 LEU 42 -0.064 -8.188 -4.260 326 HD21 LEU 42 3HD2 LEU 42 1.856 -6.455 -4.389 327 HD22 LEU 42 1HD2 LEU 42 0.847 -5.367 -3.433 328 HD23 LEU 42 2HD2 LEU 42 1.485 -4.839 -4.988 329 H LEU 43 H LEU 43 2.735 -6.358 -8.156 330 HA LEU 43 HA LEU 43 4.230 -4.508 -6.661 331 HB2 LEU 43 2HB LEU 43 5.050 -6.027 -9.147 332 HB3 LEU 43 3HB LEU 43 6.151 -5.238 -8.033 333 HG LEU 43 HG LEU 43 4.371 -7.599 -7.381 334 HD11 LEU 43 1HD1 LEU 43 6.227 -8.222 -8.824 335 HD12 LEU 43 2HD1 LEU 43 6.476 -8.846 -7.193 336 HD13 LEU 43 3HD1 LEU 43 7.364 -7.423 -7.737 337 HD21 LEU 43 3HD2 LEU 43 4.663 -6.144 -5.440 338 HD22 LEU 43 1HD2 LEU 43 6.413 -6.174 -5.666 339 HD23 LEU 43 2HD2 LEU 43 5.551 -7.653 -5.234 340 H GLU 44 H GLU 44 3.307 -4.471 -10.102 341 HA GLU 44 HA GLU 44 4.622 -2.144 -10.907 342 HB2 GLU 44 2HB GLU 44 1.927 -3.159 -11.848 343 HB3 GLU 44 3HB GLU 44 2.942 -2.008 -12.704 344 HG2 GLU 44 2HG GLU 44 3.732 -4.847 -12.076 345 HG3 GLU 44 3HG GLU 44 3.040 -4.314 -13.604 346 H CYS 45 H CYS 45 1.332 -2.498 -9.586 347 HA CYS 45 HA CYS 45 0.635 0.238 -9.634 348 HB2 CYS 45 2HB CYS 45 -0.378 -1.976 -7.833 349 HB3 CYS 45 3HB CYS 45 -1.128 -0.392 -7.993 350 HG CYS 45 HG CYS 45 -0.868 -2.744 -10.474 351 H ALA 46 H ALA 46 1.971 -1.761 -6.990 352 HA ALA 46 HA ALA 46 2.044 0.222 -5.006 353 HB1 ALA 46 3HB ALA 46 3.661 -1.203 -3.863 354 HB2 ALA 46 1HB ALA 46 3.927 -2.118 -5.349 355 HB3 ALA 46 2HB ALA 46 2.355 -2.171 -4.549 356 H ASP 47 H ASP 47 4.458 -0.672 -7.440 357 HA ASP 47 HA ASP 47 6.570 0.962 -6.661 358 HB2 ASP 47 2HB ASP 47 6.754 -0.782 -8.371 359 HB3 ASP 47 3HB ASP 47 5.718 0.143 -9.452 360 H LEU 48 H LEU 48 3.650 1.767 -8.471 361 HA LEU 48 HA LEU 48 4.329 4.286 -9.442 362 HB2 LEU 48 2HB LEU 48 1.678 3.207 -8.488 363 HB3 LEU 48 3HB LEU 48 1.847 4.780 -9.245 364 HG LEU 48 HG LEU 48 2.566 2.151 -10.561 365 HD11 LEU 48 1HD1 LEU 48 0.568 2.526 -11.934 366 HD12 LEU 48 2HD1 LEU 48 0.161 3.938 -10.957 367 HD13 LEU 48 3HD1 LEU 48 0.161 2.330 -10.229 368 HD21 LEU 48 3HD2 LEU 48 2.742 3.507 -12.603 369 HD22 LEU 48 1HD2 LEU 48 3.904 4.019 -11.379 370 HD23 LEU 48 2HD2 LEU 48 2.444 4.967 -11.656 371 H LEU 49 H LEU 49 3.139 3.390 -6.216 372 HA LEU 49 HA LEU 49 2.856 6.072 -5.293 373 HB2 LEU 49 2HB LEU 49 3.139 3.481 -3.762 374 HB3 LEU 49 3HB LEU 49 2.843 5.032 -3.000 375 HG LEU 49 HG LEU 49 0.715 5.194 -4.355 376 HD11 LEU 49 1HD1 LEU 49 1.320 2.299 -4.943 377 HD12 LEU 49 2HD1 LEU 49 1.267 3.615 -6.115 378 HD13 LEU 49 3HD1 LEU 49 -0.203 3.124 -5.278 379 HD21 LEU 49 3HD2 LEU 49 -0.551 3.704 -2.903 380 HD22 LEU 49 1HD2 LEU 49 0.705 4.545 -1.996 381 HD23 LEU 49 2HD2 LEU 49 0.930 2.857 -2.457 382 H SER 50 H SER 50 5.450 3.663 -4.918 383 HA SER 50 HA SER 50 7.229 5.202 -3.390 384 HB2 SER 50 2HB SER 50 7.591 2.809 -3.810 385 HB3 SER 50 3HB SER 50 7.862 3.134 -5.521 386 HG SER 50 HG SER 50 9.855 3.553 -5.054 387 H SER 51 H SER 51 6.820 4.992 -6.904 388 HA SER 51 HA SER 51 8.833 6.868 -7.602 389 HB2 SER 51 2HB SER 51 7.962 5.321 -9.265 390 HB3 SER 51 3HB SER 51 6.342 5.993 -9.097 391 HG SER 51 HG SER 51 8.391 7.770 -9.780 392 H ALA 52 H ALA 52 5.342 7.227 -7.026 393 HA ALA 52 HA ALA 52 5.163 9.929 -7.861 394 HB1 ALA 52 3HB ALA 52 2.938 9.905 -6.883 395 HB2 ALA 52 1HB ALA 52 3.313 8.411 -6.020 396 HB3 ALA 52 2HB ALA 52 3.235 8.416 -7.782 397 H LEU 53 H LEU 53 5.677 8.482 -4.663 398 HA LEU 53 HA LEU 53 5.325 10.892 -3.198 399 HB2 LEU 53 2HB LEU 53 6.673 8.286 -2.495 400 HB3 LEU 53 3HB LEU 53 6.498 9.609 -1.356 401 HG LEU 53 HG LEU 53 4.185 8.189 -2.700 402 HD11 LEU 53 1HD1 LEU 53 3.769 7.180 -0.513 403 HD12 LEU 53 2HD1 LEU 53 5.242 7.920 0.114 404 HD13 LEU 53 3HD1 LEU 53 5.340 6.699 -1.154 405 HD21 LEU 53 3HD2 LEU 53 3.661 10.494 -2.122 406 HD22 LEU 53 1HD2 LEU 53 4.252 10.237 -0.479 407 HD23 LEU 53 2HD2 LEU 53 2.817 9.382 -1.045 408 H THR 54 H THR 54 7.904 9.888 -5.170 409 HA THR 54 HA THR 54 9.837 11.612 -3.766 410 HB THR 54 HB THR 54 11.531 10.693 -5.343 411 HG1 THR 54 HG1 THR 54 9.713 8.683 -6.108 412 HG21 THR 54 3HG2 THR 54 11.202 9.646 -3.151 413 HG22 THR 54 1HG2 THR 54 11.623 8.442 -4.369 414 HG23 THR 54 2HG2 THR 54 9.951 8.603 -3.830 415 H GLU 55 H GLU 55 7.502 12.013 -6.001 416 HA GLU 55 HA GLU 55 8.886 14.324 -7.212 417 HB2 GLU 55 2HB GLU 55 7.579 13.968 -9.289 418 HB3 GLU 55 3HB GLU 55 8.660 12.623 -8.953 419 HG2 GLU 55 2HG GLU 55 6.801 11.305 -8.104 420 HG3 GLU 55 3HG GLU 55 5.703 12.659 -8.352 421 HA PRO 56 HA PRO 56 5.390 16.630 -5.719 422 HB2 PRO 56 2HB PRO 56 4.973 18.520 -7.637 423 HB3 PRO 56 3HB PRO 56 6.359 18.554 -6.540 424 HG2 PRO 56 2HG PRO 56 6.212 17.579 -9.374 425 HG3 PRO 56 3HG PRO 56 7.462 18.571 -8.596 426 HD2 PRO 56 2HD PRO 56 7.752 15.901 -9.000 427 HD3 PRO 56 3HD PRO 56 8.479 16.742 -7.615 428 H VAL 57 H VAL 57 3.399 15.820 -5.608 429 HA VAL 57 HA VAL 57 1.734 15.620 -8.010 430 HB VAL 57 HB VAL 57 0.872 13.370 -7.211 431 HG11 VAL 57 1HG1 VAL 57 3.776 13.439 -8.061 432 HG12 VAL 57 2HG1 VAL 57 2.390 13.600 -9.139 433 HG13 VAL 57 3HG1 VAL 57 2.654 12.092 -8.266 434 HG21 VAL 57 3HG2 VAL 57 2.339 12.035 -5.769 435 HG22 VAL 57 1HG2 VAL 57 1.753 13.470 -4.927 436 HG23 VAL 57 2HG2 VAL 57 3.401 13.427 -5.553 437 HA PRO 58 HA PRO 58 -1.403 17.175 -5.253 438 HB2 PRO 58 2HB PRO 58 -3.668 16.209 -6.408 439 HB3 PRO 58 3HB PRO 58 -2.727 17.538 -7.099 440 HG2 PRO 58 2HG PRO 58 -2.728 14.630 -7.839 441 HG3 PRO 58 3HG PRO 58 -2.719 16.053 -8.896 442 HD2 PRO 58 2HD PRO 58 -0.474 14.629 -8.335 443 HD3 PRO 58 3HD PRO 58 -0.446 16.376 -8.657 444 H ASN 59 H ASN 59 -2.429 16.556 -3.390 445 HA ASN 59 HA ASN 59 -2.043 14.064 -2.238 446 HB2 ASN 59 2HB ASN 59 -2.556 16.005 -0.897 447 HB3 ASN 59 3HB ASN 59 -4.141 16.159 -1.642 448 HD21 ASN 59 1HD2 ASN 59 -2.192 14.268 0.543 449 HD22 ASN 59 2HD2 ASN 59 -3.510 13.513 1.354 450 H SER 60 H SER 60 -4.787 15.221 -4.131 451 HA SER 60 HA SER 60 -6.607 13.156 -3.832 452 HB2 SER 60 2HB SER 60 -7.402 13.738 -6.101 453 HB3 SER 60 3HB SER 60 -7.066 15.185 -5.149 454 HG SER 60 HG SER 60 -6.184 15.358 -7.244 455 H GLN 61 H GLN 61 -4.046 13.378 -6.312 456 HA GLN 61 HA GLN 61 -4.368 10.858 -7.463 457 HB2 GLN 61 2HB GLN 61 -3.014 12.597 -8.490 458 HB3 GLN 61 3HB GLN 61 -1.862 12.528 -7.164 459 HG2 GLN 61 2HG GLN 61 -1.207 10.275 -7.819 460 HG3 GLN 61 3HG GLN 61 -2.405 10.285 -9.112 461 HE21 GLN 61 1HE2 GLN 61 0.491 9.958 -9.275 462 HE22 GLN 61 2HE2 GLN 61 1.058 11.219 -10.308 463 H LEU 62 H LEU 62 -2.460 11.808 -4.637 464 HA LEU 62 HA LEU 62 -1.096 9.370 -4.247 465 HB2 LEU 62 2HB LEU 62 -1.918 11.509 -2.280 466 HB3 LEU 62 3HB LEU 62 -0.870 10.166 -1.868 467 HG LEU 62 HG LEU 62 -0.252 12.274 -3.948 468 HD11 LEU 62 1HD1 LEU 62 -0.204 13.175 -1.670 469 HD12 LEU 62 2HD1 LEU 62 1.414 13.079 -2.364 470 HD13 LEU 62 3HD1 LEU 62 0.891 11.880 -1.180 471 HD21 LEU 62 3HD2 LEU 62 1.992 11.261 -3.944 472 HD22 LEU 62 1HD2 LEU 62 0.755 10.135 -4.500 473 HD23 LEU 62 2HD2 LEU 62 1.408 9.992 -2.867 474 H VAL 63 H VAL 63 -4.015 10.585 -2.560 475 HA VAL 63 HA VAL 63 -4.471 8.170 -1.139 476 HB VAL 63 HB VAL 63 -6.530 10.300 -1.785 477 HG11 VAL 63 1HG1 VAL 63 -7.581 9.559 0.316 478 HG12 VAL 63 2HG1 VAL 63 -6.359 8.297 0.476 479 HG13 VAL 63 3HG1 VAL 63 -7.496 8.259 -0.872 480 HG21 VAL 63 3HG2 VAL 63 -5.878 11.355 0.347 481 HG22 VAL 63 1HG2 VAL 63 -4.549 11.345 -0.812 482 HG23 VAL 63 2HG2 VAL 63 -4.567 10.187 0.517 483 H ASP 64 H ASP 64 -5.726 9.410 -4.216 484 HA ASP 64 HA ASP 64 -7.653 7.429 -4.721 485 HB2 ASP 64 2HB ASP 64 -7.474 9.504 -6.033 486 HB3 ASP 64 3HB ASP 64 -5.939 8.956 -6.702 487 H THR 65 H THR 65 -4.256 7.584 -5.849 488 HA THR 65 HA THR 65 -4.193 5.034 -7.040 489 HB THR 65 HB THR 65 -1.849 6.502 -5.796 490 HG1 THR 65 HG1 THR 65 -2.253 7.893 -7.334 491 HG21 THR 65 3HG2 THR 65 -1.339 4.173 -6.361 492 HG22 THR 65 1HG2 THR 65 -0.514 5.279 -7.461 493 HG23 THR 65 2HG2 THR 65 -1.962 4.421 -7.992 494 H GLY 66 H GLY 66 -3.544 6.068 -3.709 495 HA2 GLY 66 2HA GLY 66 -2.714 3.599 -2.652 496 HA3 GLY 66 3HA GLY 66 -3.550 4.853 -1.751 497 H HIS 67 H HIS 67 -5.925 4.776 -3.470 498 HA HIS 67 HA HIS 67 -7.399 2.786 -2.089 499 HB2 HIS 67 2HB HIS 67 -8.123 4.564 -4.418 500 HB3 HIS 67 3HB HIS 67 -9.265 3.444 -3.681 501 HD1 HIS 67 HD1 HIS 67 -9.460 6.636 -3.686 502 HD2 HIS 67 HD2 HIS 67 -8.254 4.225 -0.525 503 HE1 HIS 67 HE1 HIS 67 -9.907 7.971 -1.612 504 HE2 HIS 67 HE2 HIS 67 -9.311 6.440 0.285 505 H GLN 68 H GLN 68 -6.146 2.891 -5.455 506 HA GLN 68 HA GLN 68 -7.363 0.414 -6.181 507 HB2 GLN 68 2HB GLN 68 -5.967 0.381 -8.126 508 HB3 GLN 68 3HB GLN 68 -6.499 2.033 -7.870 509 HG2 GLN 68 2HG GLN 68 -4.343 2.643 -6.994 510 HG3 GLN 68 3HG GLN 68 -3.796 0.970 -7.070 511 HE21 GLN 68 1HE2 GLN 68 -5.077 0.491 -9.659 512 HE22 GLN 68 2HE2 GLN 68 -4.106 1.307 -10.824 513 H LEU 69 H LEU 69 -4.321 1.243 -4.608 514 HA LEU 69 HA LEU 69 -3.228 -1.361 -4.545 515 HB2 LEU 69 2HB LEU 69 -2.822 1.135 -2.978 516 HB3 LEU 69 3HB LEU 69 -2.261 -0.358 -2.249 517 HG LEU 69 HG LEU 69 -0.489 0.846 -3.505 518 HD11 LEU 69 1HD1 LEU 69 -0.330 -1.563 -3.159 519 HD12 LEU 69 2HD1 LEU 69 0.353 -1.104 -4.718 520 HD13 LEU 69 3HD1 LEU 69 -1.244 -1.849 -4.641 521 HD21 LEU 69 3HD2 LEU 69 -2.166 0.171 -5.929 522 HD22 LEU 69 1HD2 LEU 69 -0.544 0.866 -5.946 523 HD23 LEU 69 2HD2 LEU 69 -1.892 1.788 -5.280 524 H LEU 70 H LEU 70 -5.522 0.278 -2.384 525 HA LEU 70 HA LEU 70 -5.848 -1.846 -0.561 526 HB2 LEU 70 2HB LEU 70 -7.375 0.579 -1.281 527 HB3 LEU 70 3HB LEU 70 -8.331 -0.712 -0.581 528 HG LEU 70 HG LEU 70 -7.599 0.869 1.132 529 HD11 LEU 70 1HD1 LEU 70 -6.210 -1.805 1.376 530 HD12 LEU 70 2HD1 LEU 70 -7.907 -1.488 1.735 531 HD13 LEU 70 3HD1 LEU 70 -6.647 -0.733 2.706 532 HD21 LEU 70 3HD2 LEU 70 -4.785 0.067 0.361 533 HD22 LEU 70 1HD2 LEU 70 -5.236 1.101 1.718 534 HD23 LEU 70 2HD2 LEU 70 -5.530 1.639 0.066 535 H ASP 71 H ASP 71 -7.470 -1.178 -3.651 536 HA ASP 71 HA ASP 71 -9.303 -3.298 -3.622 537 HB2 ASP 71 2HB ASP 71 -9.259 -1.427 -5.288 538 HB3 ASP 71 3HB ASP 71 -7.859 -2.180 -6.047 539 H TYR 72 H TYR 72 -6.081 -3.200 -5.162 540 HA TYR 72 HA TYR 72 -5.900 -5.900 -5.854 541 HB2 TYR 72 2HB TYR 72 -3.830 -3.786 -5.296 542 HB3 TYR 72 3HB TYR 72 -3.346 -5.434 -5.681 543 HD1 TYR 72 HD1 TYR 72 -5.779 -2.910 -7.038 544 HD2 TYR 72 HD2 TYR 72 -2.747 -5.777 -7.885 545 HE1 TYR 72 HE1 TYR 72 -5.979 -2.409 -9.436 546 HE2 TYR 72 HE2 TYR 72 -2.943 -5.284 -10.282 547 HH TYR 72 HH TYR 72 -4.639 -2.598 -11.489 548 H CYS 73 H CYS 73 -4.658 -4.294 -2.915 549 HA CYS 73 HA CYS 73 -3.503 -6.611 -1.794 550 HB2 CYS 73 2HB CYS 73 -4.384 -4.029 -0.492 551 HB3 CYS 73 3HB CYS 73 -3.462 -5.282 0.335 552 HG CYS 73 HG CYS 73 -2.454 -3.105 -2.052 553 H SER 74 H SER 74 -6.614 -5.015 -1.045 554 HA SER 74 HA SER 74 -7.377 -6.778 1.019 555 HB2 SER 74 2HB SER 74 -8.425 -4.558 0.650 556 HB3 SER 74 3HB SER 74 -9.194 -5.179 -0.810 557 HG SER 74 HG SER 74 -10.672 -6.072 0.381 558 H GLY 75 H GLY 75 -7.653 -7.032 -2.462 559 HA2 GLY 75 2HA GLY 75 -9.402 -9.352 -2.338 560 HA3 GLY 75 3HA GLY 75 -8.678 -8.660 -3.779 561 H TYR 76 H TYR 76 -6.005 -8.778 -3.259 562 HA TYR 76 HA TYR 76 -5.402 -11.412 -4.000 563 HB2 TYR 76 2HB TYR 76 -4.051 -9.370 -4.559 564 HB3 TYR 76 3HB TYR 76 -3.459 -9.363 -2.904 565 HD1 TYR 76 HD2 TYR 76 -3.721 -11.710 -5.814 566 HD2 TYR 76 HD1 TYR 76 -1.393 -10.377 -2.501 567 HE1 TYR 76 HE2 TYR 76 -1.909 -13.229 -6.484 568 HE2 TYR 76 HE1 TYR 76 0.429 -11.894 -3.169 569 HH TYR 76 HH TYR 76 0.782 -13.912 -4.477 570 H VAL 77 H VAL 77 -5.411 -9.889 -0.825 571 HA VAL 77 HA VAL 77 -3.812 -11.696 0.584 572 HB VAL 77 HB VAL 77 -4.623 -9.575 1.545 573 HG11 VAL 77 1HG1 VAL 77 -6.874 -9.425 2.503 574 HG12 VAL 77 2HG1 VAL 77 -7.277 -10.993 1.799 575 HG13 VAL 77 3HG1 VAL 77 -6.924 -9.620 0.749 576 HG21 VAL 77 3HG2 VAL 77 -5.080 -10.417 3.820 577 HG22 VAL 77 1HG2 VAL 77 -3.729 -11.247 3.048 578 HG23 VAL 77 2HG2 VAL 77 -5.305 -12.036 3.159 579 H ASP 78 H ASP 78 -7.164 -11.989 -0.431 580 HA ASP 78 HA ASP 78 -7.798 -14.296 1.117 581 HB2 ASP 78 2HB ASP 78 -9.471 -12.733 0.102 582 HB3 ASP 78 3HB ASP 78 -9.050 -13.363 -1.486 583 H CYS 79 H CYS 79 -6.030 -13.808 -1.811 584 HA CYS 79 HA CYS 79 -6.251 -16.629 -2.607 585 HB2 CYS 79 2HB CYS 79 -6.664 -14.901 -4.326 586 HB3 CYS 79 3HB CYS 79 -5.030 -14.291 -4.096 587 HG CYS 79 HG CYS 79 -5.882 -16.267 -6.354 588 H ILE 80 H ILE 80 -4.205 -14.786 -0.714 589 HA ILE 80 HA ILE 80 -1.653 -15.721 -1.568 590 HB ILE 80 HB ILE 80 -2.507 -14.660 1.138 591 HG12 ILE 80 2HG1 ILE 80 -1.084 -13.344 -1.199 592 HG13 ILE 80 3HG1 ILE 80 -2.733 -13.022 -0.672 593 HG21 ILE 80 1HG2 ILE 80 -0.502 -16.038 1.368 594 HG22 ILE 80 2HG2 ILE 80 -0.112 -14.333 1.587 595 HG23 ILE 80 3HG2 ILE 80 0.283 -15.138 0.068 596 HD11 ILE 80 3HD1 ILE 80 -1.201 -11.268 0.033 597 HD12 ILE 80 1HD1 ILE 80 -0.234 -12.450 0.916 598 HD13 ILE 80 2HD1 ILE 80 -1.888 -12.105 1.424 599 HA PRO 81 HA PRO 81 -2.097 -19.900 0.018 600 HB2 PRO 81 2HB PRO 81 0.254 -20.873 -0.872 601 HB3 PRO 81 3HB PRO 81 -1.077 -20.495 -1.972 602 HG2 PRO 81 2HG PRO 81 1.357 -18.863 -1.318 603 HG3 PRO 81 3HG PRO 81 0.631 -19.200 -2.902 604 HD2 PRO 81 2HD PRO 81 0.207 -16.878 -1.535 605 HD3 PRO 81 3HD PRO 81 -0.987 -17.580 -2.646 606 H GLN 82 H GLN 82 0.539 -17.750 0.899 607 HA GLN 82 HA GLN 82 1.328 -19.540 3.106 608 HB2 GLN 82 2HB GLN 82 2.733 -17.247 1.745 609 HB3 GLN 82 3HB GLN 82 3.305 -17.897 3.272 610 HG2 GLN 82 2HG GLN 82 3.418 -20.150 2.125 611 HG3 GLN 82 3HG GLN 82 3.126 -19.297 0.611 612 HE21 GLN 82 1HE2 GLN 82 4.729 -17.882 -0.165 613 HE22 GLN 82 2HE2 GLN 82 6.356 -17.963 0.395 614 H THR 83 H THR 83 0.549 -19.112 5.091 615 HA THR 83 HA THR 83 -0.907 -16.768 5.716 616 HB THR 83 HB THR 83 0.287 -18.750 7.672 617 HG1 THR 83 HG1 THR 83 -1.838 -19.677 7.562 618 HG21 THR 83 3HG2 THR 83 -1.968 -16.750 7.981 619 HG22 THR 83 1HG2 THR 83 -0.384 -16.658 8.757 620 HG23 THR 83 2HG2 THR 83 -1.501 -17.955 9.182 621 H ARG 84 H ARG 84 2.464 -17.697 6.413 622 HA ARG 84 HA ARG 84 3.250 -15.616 8.068 623 HB2 ARG 84 2HB ARG 84 4.759 -16.955 5.812 624 HB3 ARG 84 3HB ARG 84 5.508 -15.796 6.898 625 HG2 ARG 84 2HG ARG 84 4.260 -18.416 7.722 626 HG3 ARG 84 3HG ARG 84 5.988 -18.109 7.533 627 HD2 ARG 84 2HD ARG 84 5.728 -16.282 9.263 628 HD3 ARG 84 3HD ARG 84 4.100 -16.898 9.551 629 HE ARG 84 HE ARG 84 6.315 -18.781 9.785 630 HH11 ARG 84 1HH1 ARG 84 3.931 -16.836 11.340 631 HH12 ARG 84 2HH1 ARG 84 4.187 -17.573 12.884 632 HH21 ARG 84 1HH2 ARG 84 6.652 -19.688 11.776 633 HH22 ARG 84 2HH2 ARG 84 5.692 -19.178 13.122 634 H ASN 85 H ASN 85 3.308 -15.633 4.515 635 HA ASN 85 HA ASN 85 3.927 -12.904 4.162 636 HB2 ASN 85 2HB ASN 85 2.474 -14.835 2.330 637 HB3 ASN 85 3HB ASN 85 3.115 -13.268 1.841 638 HD21 ASN 85 1HD2 ASN 85 5.264 -13.057 1.474 639 HD22 ASN 85 2HD2 ASN 85 6.375 -14.373 1.491 640 H LYS 86 H LYS 86 0.826 -14.625 4.308 641 HA LYS 86 HA LYS 86 -0.838 -12.543 3.462 642 HB2 LYS 86 2HB LYS 86 -1.486 -14.937 3.640 643 HB3 LYS 86 3HB LYS 86 -1.525 -14.770 5.390 644 HG2 LYS 86 2HG LYS 86 -3.338 -13.174 5.239 645 HG3 LYS 86 3HG LYS 86 -3.253 -13.210 3.476 646 HD2 LYS 86 2HD LYS 86 -5.080 -14.603 4.170 647 HD3 LYS 86 3HD LYS 86 -3.794 -15.640 3.556 648 HE2 LYS 86 2HE LYS 86 -3.068 -16.036 5.903 649 HE3 LYS 86 3HE LYS 86 -4.466 -15.109 6.448 650 HZ1 LYS 86 3HZ LYS 86 -5.036 -17.394 6.526 651 HZ2 LYS 86 1HZ LYS 86 -4.478 -17.664 4.950 652 HZ3 LYS 86 2HZ LYS 86 -5.864 -16.732 5.206 653 H PHE 87 H PHE 87 0.009 -13.498 6.805 654 HA PHE 87 HA PHE 87 -1.529 -11.442 8.026 655 HB2 PHE 87 2HB PHE 87 -0.769 -13.546 9.175 656 HB3 PHE 87 3HB PHE 87 0.860 -12.876 9.214 657 HD1 PHE 87 HD2 PHE 87 -2.573 -12.507 10.485 658 HD2 PHE 87 HD1 PHE 87 1.460 -11.177 10.800 659 HE1 PHE 87 HE2 PHE 87 -3.124 -11.338 12.577 660 HE2 PHE 87 HE1 PHE 87 0.913 -10.009 12.895 661 HZ PHE 87 HZ PHE 87 -1.381 -10.089 13.786 662 H ALA 88 H ALA 88 1.982 -11.739 7.405 663 HA ALA 88 HA ALA 88 2.752 -9.201 8.320 664 HB1 ALA 88 3HB ALA 88 4.757 -9.492 6.939 665 HB2 ALA 88 1HB ALA 88 3.985 -10.841 6.101 666 HB3 ALA 88 2HB ALA 88 4.361 -10.968 7.821 667 H PHE 89 H PHE 89 1.237 -10.190 5.364 668 HA PHE 89 HA PHE 89 1.619 -7.788 3.873 669 HB2 PHE 89 2HB PHE 89 1.100 -9.975 2.849 670 HB3 PHE 89 3HB PHE 89 -0.479 -9.963 3.618 671 HD1 PHE 89 HD2 PHE 89 1.625 -8.266 1.091 672 HD2 PHE 89 HD1 PHE 89 -2.308 -8.863 2.616 673 HE1 PHE 89 HE2 PHE 89 0.691 -7.159 -0.895 674 HE2 PHE 89 HE1 PHE 89 -3.244 -7.759 0.628 675 HZ PHE 89 HZ PHE 89 -1.744 -6.909 -1.130 676 H ARG 90 H ARG 90 -1.215 -9.092 5.662 677 HA ARG 90 HA ARG 90 -2.827 -6.822 5.192 678 HB2 ARG 90 2HB ARG 90 -3.051 -9.234 6.893 679 HB3 ARG 90 3HB ARG 90 -4.013 -7.850 7.392 680 HG2 ARG 90 2HG ARG 90 -4.083 -9.157 4.678 681 HG3 ARG 90 3HG ARG 90 -5.289 -9.342 5.952 682 HD2 ARG 90 2HD ARG 90 -4.570 -6.755 4.561 683 HD3 ARG 90 3HD ARG 90 -6.007 -7.724 4.244 684 HE ARG 90 HE ARG 90 -6.272 -7.246 6.850 685 HH11 ARG 90 1HH1 ARG 90 -5.482 -5.069 4.284 686 HH12 ARG 90 2HH1 ARG 90 -6.237 -3.715 5.056 687 HH21 ARG 90 1HH2 ARG 90 -7.239 -5.492 7.811 688 HH22 ARG 90 2HH2 ARG 90 -7.221 -3.958 7.008 689 H GLU 91 H GLU 91 -0.690 -7.581 7.953 690 HA GLU 91 HA GLU 91 -1.502 -5.411 9.559 691 HB2 GLU 91 2HB GLU 91 0.644 -5.620 10.712 692 HB3 GLU 91 3HB GLU 91 -0.071 -7.200 10.432 693 HG2 GLU 91 2HG GLU 91 1.442 -7.596 8.583 694 HG3 GLU 91 3HG GLU 91 2.122 -5.980 8.760 695 H ALA 92 H ALA 92 0.832 -5.605 6.913 696 HA ALA 92 HA ALA 92 1.743 -2.909 7.114 697 HB1 ALA 92 3HB ALA 92 2.755 -3.295 4.926 698 HB2 ALA 92 1HB ALA 92 1.833 -4.790 4.753 699 HB3 ALA 92 2HB ALA 92 3.059 -4.651 6.012 700 H VAL 93 H VAL 93 -0.785 -4.500 5.190 701 HA VAL 93 HA VAL 93 -1.537 -2.212 3.691 702 HB VAL 93 HB VAL 93 -3.215 -4.631 4.418 703 HG11 VAL 93 1HG1 VAL 93 -4.620 -3.997 2.498 704 HG12 VAL 93 2HG1 VAL 93 -3.674 -2.522 2.298 705 HG13 VAL 93 3HG1 VAL 93 -4.636 -2.760 3.756 706 HG21 VAL 93 3HG2 VAL 93 -1.189 -5.204 3.172 707 HG22 VAL 93 1HG2 VAL 93 -1.602 -4.016 1.934 708 HG23 VAL 93 2HG2 VAL 93 -2.626 -5.432 2.177 709 H SER 94 H SER 94 -2.738 -3.518 6.780 710 HA SER 94 HA SER 94 -4.796 -1.707 7.276 711 HB2 SER 94 2HB SER 94 -2.879 -2.939 9.286 712 HB3 SER 94 3HB SER 94 -4.403 -2.152 9.695 713 HG SER 94 HG SER 94 -5.515 -3.796 8.806 714 H LYS 95 H LYS 95 -1.348 -1.443 8.089 715 HA LYS 95 HA LYS 95 -1.298 1.133 9.144 716 HB2 LYS 95 2HB LYS 95 0.736 -0.334 7.446 717 HB3 LYS 95 3HB LYS 95 1.074 1.185 8.266 718 HG2 LYS 95 2HG LYS 95 0.972 0.204 10.386 719 HG3 LYS 95 3HG LYS 95 0.086 -1.204 9.796 720 HD2 LYS 95 2HD LYS 95 2.434 -1.735 10.331 721 HD3 LYS 95 3HD LYS 95 2.059 -2.006 8.631 722 HE2 LYS 95 2HE LYS 95 4.208 -0.952 8.770 723 HE3 LYS 95 3HE LYS 95 3.065 0.223 8.119 724 HZ1 LYS 95 3HZ LYS 95 4.003 0.084 10.933 725 HZ2 LYS 95 1HZ LYS 95 2.898 1.212 10.325 726 HZ3 LYS 95 2HZ LYS 95 4.497 1.216 9.777 727 H LEU 96 H LEU 96 -1.029 0.123 5.731 728 HA LEU 96 HA LEU 96 -0.634 2.669 4.618 729 HB2 LEU 96 2HB LEU 96 -0.219 0.598 3.393 730 HB3 LEU 96 3HB LEU 96 -1.932 0.222 3.414 731 HG LEU 96 HG LEU 96 -2.351 2.257 2.021 732 HD11 LEU 96 1HD1 LEU 96 0.656 2.351 1.803 733 HD12 LEU 96 2HD1 LEU 96 -0.357 3.526 2.641 734 HD13 LEU 96 3HD1 LEU 96 -0.487 3.339 0.892 735 HD21 LEU 96 3HD2 LEU 96 -0.452 0.224 0.838 736 HD22 LEU 96 1HD2 LEU 96 -1.523 1.290 -0.073 737 HD23 LEU 96 2HD2 LEU 96 -2.202 0.053 0.985 738 H GLU 97 H GLU 97 -3.699 0.822 4.942 739 HA GLU 97 HA GLU 97 -5.296 2.830 3.741 740 HB2 GLU 97 2HB GLU 97 -7.232 1.563 4.619 741 HB3 GLU 97 3HB GLU 97 -6.072 0.549 3.778 742 HG2 GLU 97 2HG GLU 97 -5.189 -0.243 5.900 743 HG3 GLU 97 3HG GLU 97 -6.297 0.815 6.773 744 H LEU 98 H LEU 98 -4.532 2.148 7.139 745 HA LEU 98 HA LEU 98 -6.253 4.133 8.229 746 HB2 LEU 98 2HB LEU 98 -3.766 2.832 9.350 747 HB3 LEU 98 3HB LEU 98 -4.798 3.914 10.268 748 HG LEU 98 HG LEU 98 -5.635 1.246 9.106 749 HD11 LEU 98 1HD1 LEU 98 -4.130 0.997 11.002 750 HD12 LEU 98 2HD1 LEU 98 -5.769 0.515 11.437 751 HD13 LEU 98 3HD1 LEU 98 -5.139 2.076 11.966 752 HD21 LEU 98 3HD2 LEU 98 -7.499 2.811 9.126 753 HD22 LEU 98 1HD2 LEU 98 -7.182 3.197 10.818 754 HD23 LEU 98 2HD2 LEU 98 -7.715 1.578 10.366 755 H SER 99 H SER 99 -2.850 4.189 7.202 756 HA SER 99 HA SER 99 -2.403 6.885 8.003 757 HB2 SER 99 2HB SER 99 -0.915 5.149 6.021 758 HB3 SER 99 3HB SER 99 -0.385 6.757 6.517 759 HG SER 99 HG SER 99 0.365 5.924 8.293 760 H LEU 100 H LEU 100 -3.683 5.430 5.066 761 HA LEU 100 HA LEU 100 -3.644 7.759 3.454 762 HB2 LEU 100 2HB LEU 100 -5.428 5.325 3.422 763 HB3 LEU 100 3HB LEU 100 -5.585 6.622 2.250 764 HG LEU 100 HG LEU 100 -3.104 4.934 2.646 765 HD11 LEU 100 1HD1 LEU 100 -4.934 3.635 1.693 766 HD12 LEU 100 2HD1 LEU 100 -3.679 3.935 0.492 767 HD13 LEU 100 3HD1 LEU 100 -5.176 4.868 0.452 768 HD21 LEU 100 3HD2 LEU 100 -2.581 7.188 1.855 769 HD22 LEU 100 1HD2 LEU 100 -3.755 7.012 0.549 770 HD23 LEU 100 2HD2 LEU 100 -2.315 5.994 0.586 771 H GLN 101 H GLN 101 -6.104 6.503 5.715 772 HA GLN 101 HA GLN 101 -7.970 8.581 5.112 773 HB2 GLN 101 2HB GLN 101 -9.294 7.743 6.971 774 HB3 GLN 101 3HB GLN 101 -8.722 6.414 5.975 775 HG2 GLN 101 2HG GLN 101 -6.988 5.917 7.610 776 HG3 GLN 101 3HG GLN 101 -7.523 7.272 8.603 777 HE21 GLN 101 1HE2 GLN 101 -9.516 7.126 9.673 778 HE22 GLN 101 2HE2 GLN 101 -10.268 5.598 9.969 779 H GLU 102 H GLU 102 -5.488 8.205 7.658 780 HA GLU 102 HA GLU 102 -6.206 10.615 9.011 781 HB2 GLU 102 2HB GLU 102 -4.161 10.437 10.219 782 HB3 GLU 102 3HB GLU 102 -4.723 8.790 9.966 783 HG2 GLU 102 2HG GLU 102 -3.133 8.492 8.162 784 HG3 GLU 102 3HG GLU 102 -2.612 10.165 8.309 785 H LEU 103 H LEU 103 -4.201 9.896 6.226 786 HA LEU 103 HA LEU 103 -2.945 12.414 5.955 787 HB2 LEU 103 2HB LEU 103 -2.153 10.451 4.759 788 HB3 LEU 103 3HB LEU 103 -3.659 10.351 3.867 789 HG LEU 103 HG LEU 103 -3.130 12.563 2.828 790 HD11 LEU 103 1HD1 LEU 103 -0.803 13.371 2.942 791 HD12 LEU 103 2HD1 LEU 103 -0.471 12.185 4.205 792 HD13 LEU 103 3HD1 LEU 103 -1.638 13.476 4.492 793 HD21 LEU 103 3HD2 LEU 103 -1.071 10.401 2.391 794 HD22 LEU 103 1HD2 LEU 103 -1.477 11.696 1.263 795 HD23 LEU 103 2HD2 LEU 103 -2.676 10.463 1.658 796 H GLN 104 H GLN 104 -5.822 11.110 4.254 797 HA GLN 104 HA GLN 104 -6.364 13.360 2.715 798 HB2 GLN 104 2HB GLN 104 -8.650 12.474 2.467 799 HB3 GLN 104 3HB GLN 104 -7.428 11.224 2.275 800 HG2 GLN 104 2HG GLN 104 -7.846 10.475 4.578 801 HG3 GLN 104 3HG GLN 104 -9.092 11.708 4.743 802 HE21 GLN 104 1HE2 GLN 104 -8.617 9.914 1.786 803 HE22 GLN 104 2HE2 GLN 104 -10.064 8.985 1.899 804 H VAL 105 H VAL 105 -7.222 12.765 6.082 805 HA VAL 105 HA VAL 105 -8.891 15.157 6.186 806 HB VAL 105 HB VAL 105 -9.309 14.602 8.510 807 HG11 VAL 105 1HG1 VAL 105 -10.641 13.443 6.834 808 HG12 VAL 105 2HG1 VAL 105 -10.367 12.403 8.231 809 HG13 VAL 105 3HG1 VAL 105 -9.443 12.152 6.749 810 HG21 VAL 105 3HG2 VAL 105 -7.288 12.382 8.163 811 HG22 VAL 105 1HG2 VAL 105 -8.298 12.642 9.586 812 HG23 VAL 105 2HG2 VAL 105 -7.078 13.834 9.143 813 H SER 106 H SER 106 -5.598 14.539 6.400 814 HA SER 106 HA SER 106 -5.115 16.928 8.084 815 HB2 SER 106 2HB SER 106 -3.395 14.434 7.919 816 HB3 SER 106 3HB SER 106 -3.055 15.859 8.899 817 HG SER 106 HG SER 106 -4.802 13.774 9.341 818 H SER 107 H SER 107 -5.204 16.346 5.037 819 HA SER 107 HA SER 107 -2.566 16.600 4.024 820 HB2 SER 107 2HB SER 107 -5.187 17.321 2.683 821 HB3 SER 107 3HB SER 107 -3.638 17.128 1.870 822 HG SER 107 HG SER 107 -5.240 15.272 1.994 823 H ALA 108 H ALA 108 -5.106 19.051 3.550 824 HA ALA 108 HA ALA 108 -5.150 21.310 3.697 825 HB1 ALA 108 3HB ALA 108 -4.295 21.052 5.958 826 HB2 ALA 108 1HB ALA 108 -3.630 22.497 5.196 827 HB3 ALA 108 2HB ALA 108 -2.640 21.044 5.348 828 H ALA 109 H ALA 109 -1.782 20.255 3.094 829 HA ALA 109 HA ALA 109 -1.038 22.627 1.715 830 HB1 ALA 109 3HB ALA 109 1.047 21.490 1.253 831 HB2 ALA 109 1HB ALA 109 0.333 19.942 1.710 832 HB3 ALA 109 2HB ALA 109 0.557 21.204 2.923 833 H ALA 110 H ALA 110 -3.183 20.486 0.583 834 HA ALA 110 HA ALA 110 -4.104 20.159 -1.466 835 HB1 ALA 110 3HB ALA 110 -1.968 22.029 -2.492 836 HB2 ALA 110 1HB ALA 110 -3.575 22.493 -1.931 837 HB3 ALA 110 2HB ALA 110 -3.399 21.502 -3.380 838 H GLY 111 H GLY 111 -0.573 20.305 -2.150 839 HA2 GLY 111 2HA GLY 111 -0.318 17.507 -2.547 840 HA3 GLY 111 3HA GLY 111 -0.585 18.296 -4.094 841 H VAL 112 H VAL 112 1.458 18.630 -1.190 842 HA VAL 112 HA VAL 112 3.735 19.325 -2.944 843 HB VAL 112 HB VAL 112 3.340 20.030 -0.018 844 HG11 VAL 112 1HG1 VAL 112 5.696 19.721 -0.595 845 HG12 VAL 112 2HG1 VAL 112 5.335 21.415 -0.262 846 HG13 VAL 112 3HG1 VAL 112 5.526 20.865 -1.927 847 HG21 VAL 112 3HG2 VAL 112 3.090 22.348 -0.798 848 HG22 VAL 112 1HG2 VAL 112 1.829 21.302 -1.452 849 HG23 VAL 112 2HG2 VAL 112 3.183 21.792 -2.470 850 HA PRO 113 HA PRO 113 5.352 15.331 -1.749 851 HB2 PRO 113 2HB PRO 113 7.977 15.738 -2.456 852 HB3 PRO 113 3HB PRO 113 6.691 15.358 -3.608 853 HG2 PRO 113 2HG PRO 113 7.864 18.026 -2.896 854 HG3 PRO 113 3HG PRO 113 7.451 17.375 -4.495 855 HD2 PRO 113 2HD PRO 113 5.838 19.116 -3.233 856 HD3 PRO 113 3HD PRO 113 5.180 17.795 -4.221 857 H GLY 114 H GLY 114 5.766 14.675 0.266 858 HA2 GLY 114 2HA GLY 114 6.780 14.455 2.324 859 HA3 GLY 114 3HA GLY 114 8.031 15.554 1.768 860 H THR 115 H THR 115 4.855 16.852 1.547 861 HA THR 115 HA THR 115 5.428 18.974 3.315 862 HB THR 115 HB THR 115 3.793 19.248 1.528 863 HG1 THR 115 HG1 THR 115 3.583 20.622 3.349 864 HG21 THR 115 3HG2 THR 115 2.756 17.014 1.609 865 HG22 THR 115 1HG2 THR 115 1.543 18.293 1.689 866 HG23 THR 115 2HG2 THR 115 2.004 17.422 3.152 867 H ASN 116 H ASN 116 3.631 15.982 3.851 868 HA ASN 116 HA ASN 116 3.533 16.620 6.732 869 HB2 ASN 116 2HB ASN 116 1.462 15.139 5.082 870 HB3 ASN 116 3HB ASN 116 1.433 15.258 6.839 871 HD21 ASN 116 1HD2 ASN 116 -0.520 16.209 4.896 872 HD22 ASN 116 2HD2 ASN 116 -0.675 17.905 5.171 873 HA PRO 117 HA PRO 117 6.129 13.098 7.360 874 HB2 PRO 117 2HB PRO 117 5.006 12.204 9.765 875 HB3 PRO 117 3HB PRO 117 6.268 13.428 9.605 876 HG2 PRO 117 2HG PRO 117 3.316 13.784 9.935 877 HG3 PRO 117 3HG PRO 117 4.646 14.714 10.651 878 HD2 PRO 117 2HD PRO 117 3.264 15.694 8.592 879 HD3 PRO 117 3HD PRO 117 5.025 15.919 8.683 880 H VAL 118 H VAL 118 2.643 12.718 7.480 881 HA VAL 118 HA VAL 118 2.336 9.976 7.562 882 HB VAL 118 HB VAL 118 0.709 11.822 5.797 883 HG11 VAL 118 1HG1 VAL 118 0.241 9.471 5.414 884 HG12 VAL 118 2HG1 VAL 118 -1.115 10.226 6.250 885 HG13 VAL 118 3HG1 VAL 118 0.013 9.207 7.143 886 HG21 VAL 118 3HG2 VAL 118 0.327 11.226 8.736 887 HG22 VAL 118 1HG2 VAL 118 -0.751 12.185 7.722 888 HG23 VAL 118 2HG2 VAL 118 0.883 12.757 8.058 889 H LEU 119 H LEU 119 3.283 11.991 4.821 890 HA LEU 119 HA LEU 119 2.902 10.120 2.757 891 HB2 LEU 119 2HB LEU 119 4.900 12.384 2.908 892 HB3 LEU 119 3HB LEU 119 4.428 11.541 1.442 893 HG LEU 119 HG LEU 119 2.586 13.212 3.170 894 HD11 LEU 119 1HD1 LEU 119 4.205 14.588 1.976 895 HD12 LEU 119 2HD1 LEU 119 2.587 14.789 1.305 896 HD13 LEU 119 3HD1 LEU 119 3.775 13.799 0.457 897 HD21 LEU 119 3HD2 LEU 119 2.086 11.860 0.514 898 HD22 LEU 119 1HD2 LEU 119 0.961 12.916 1.370 899 HD23 LEU 119 2HD2 LEU 119 1.418 11.365 2.069 900 H ASN 120 H ASN 120 5.927 10.935 4.510 901 HA ASN 120 HA ASN 120 7.527 8.934 3.381 902 HB2 ASN 120 2HB ASN 120 7.652 10.269 6.089 903 HB3 ASN 120 3HB ASN 120 8.870 9.122 5.537 904 HD21 ASN 120 1HD2 ASN 120 9.131 11.959 6.174 905 HD22 ASN 120 2HD2 ASN 120 9.771 12.699 4.753 906 H ASN 121 H ASN 121 5.302 8.787 6.129 907 HA ASN 121 HA ASN 121 5.923 6.151 6.952 908 HB2 ASN 121 2HB ASN 121 3.297 7.645 7.199 909 HB3 ASN 121 3HB ASN 121 3.730 6.187 8.087 910 HD21 ASN 121 1HD2 ASN 121 3.030 8.788 9.144 911 HD22 ASN 121 2HD2 ASN 121 4.385 9.315 10.075 912 H LEU 122 H LEU 122 3.573 7.403 4.596 913 HA LEU 122 HA LEU 122 2.426 4.955 3.826 914 HB2 LEU 122 2HB LEU 122 2.897 7.485 2.240 915 HB3 LEU 122 3HB LEU 122 1.979 6.122 1.629 916 HG LEU 122 HG LEU 122 1.246 7.773 4.058 917 HD11 LEU 122 1HD1 LEU 122 0.008 7.676 1.304 918 HD12 LEU 122 2HD1 LEU 122 0.969 9.004 1.960 919 HD13 LEU 122 3HD1 LEU 122 -0.588 8.602 2.682 920 HD21 LEU 122 3HD2 LEU 122 0.514 5.456 4.275 921 HD22 LEU 122 1HD2 LEU 122 -0.231 5.528 2.677 922 HD23 LEU 122 2HD2 LEU 122 -0.862 6.522 3.991 923 H LEU 123 H LEU 123 5.243 6.699 2.499 924 HA LEU 123 HA LEU 123 5.989 4.958 0.481 925 HB2 LEU 123 2HB LEU 123 7.057 7.140 0.918 926 HB3 LEU 123 3HB LEU 123 7.815 6.481 2.355 927 HG LEU 123 HG LEU 123 9.096 4.902 0.937 928 HD11 LEU 123 1HD1 LEU 123 7.848 6.407 -1.364 929 HD12 LEU 123 2HD1 LEU 123 7.563 4.718 -0.940 930 HD13 LEU 123 3HD1 LEU 123 9.156 5.230 -1.493 931 HD21 LEU 123 3HD2 LEU 123 10.623 6.566 -0.034 932 HD22 LEU 123 1HD2 LEU 123 10.111 7.010 1.595 933 HD23 LEU 123 2HD2 LEU 123 9.399 7.816 0.196 934 H SER 124 H SER 124 6.978 4.852 3.904 935 HA SER 124 HA SER 124 8.534 2.527 3.808 936 HB2 SER 124 2HB SER 124 8.543 3.980 5.765 937 HB3 SER 124 3HB SER 124 6.852 3.603 6.091 938 HG SER 124 HG SER 124 8.872 1.614 5.989 939 H CYS 125 H CYS 125 5.052 2.881 4.465 940 HA CYS 125 HA CYS 125 4.506 0.155 4.931 941 HB2 CYS 125 2HB CYS 125 2.682 2.358 3.936 942 HB3 CYS 125 3HB CYS 125 2.129 0.766 4.447 943 HG CYS 125 HG CYS 125 3.119 3.389 6.304 944 H VAL 126 H VAL 126 4.174 2.058 1.921 945 HA VAL 126 HA VAL 126 3.149 0.001 0.308 946 HB VAL 126 HB VAL 126 4.863 2.351 -0.538 947 HG11 VAL 126 1HG1 VAL 126 3.818 2.066 -2.747 948 HG12 VAL 126 2HG1 VAL 126 3.007 0.610 -2.171 949 HG13 VAL 126 3HG1 VAL 126 4.766 0.653 -2.283 950 HG21 VAL 126 3HG2 VAL 126 1.858 2.074 -0.353 951 HG22 VAL 126 1HG2 VAL 126 2.719 3.456 -1.034 952 HG23 VAL 126 2HG2 VAL 126 2.885 3.071 0.679 953 H GLN 127 H GLN 127 6.528 1.039 0.796 954 HA GLN 127 HA GLN 127 7.721 -0.850 -0.922 955 HB2 GLN 127 2HB GLN 127 8.819 0.529 1.541 956 HB3 GLN 127 3HB GLN 127 9.794 -0.423 0.427 957 HG2 GLN 127 2HG GLN 127 9.281 1.111 -1.385 958 HG3 GLN 127 3HG GLN 127 8.227 2.043 -0.324 959 HE21 GLN 127 1HE2 GLN 127 10.634 2.833 -1.813 960 HE22 GLN 127 2HE2 GLN 127 11.727 3.471 -0.637 961 H GLU 128 H GLU 128 6.893 -1.032 2.526 962 HA GLU 128 HA GLU 128 7.993 -3.569 3.069 963 HB2 GLU 128 2HB GLU 128 7.207 -1.957 4.795 964 HB3 GLU 128 3HB GLU 128 5.547 -2.284 4.319 965 HG2 GLU 128 2HG GLU 128 5.932 -3.548 6.268 966 HG3 GLU 128 3HG GLU 128 5.963 -4.695 4.930 967 H ILE 129 H ILE 129 4.653 -2.670 2.143 968 HA ILE 129 HA ILE 129 3.475 -5.183 2.132 969 HB ILE 129 HB ILE 129 2.908 -2.847 0.291 970 HG12 ILE 129 2HG1 ILE 129 1.534 -3.721 2.849 971 HG13 ILE 129 3HG1 ILE 129 2.664 -2.378 2.717 972 HG21 ILE 129 1HG2 ILE 129 1.994 -4.887 -0.674 973 HG22 ILE 129 2HG2 ILE 129 0.694 -3.864 -0.066 974 HG23 ILE 129 3HG2 ILE 129 1.205 -5.279 0.853 975 HD11 ILE 129 3HD1 ILE 129 0.366 -1.607 2.760 976 HD12 ILE 129 1HD1 ILE 129 -0.001 -2.579 1.335 977 HD13 ILE 129 2HD1 ILE 129 1.129 -1.229 1.216 978 H SER 130 H SER 130 4.860 -3.502 -0.704 979 HA SER 130 HA SER 130 4.620 -5.614 -2.526 980 HB2 SER 130 2HB SER 130 6.353 -4.439 -3.857 981 HB3 SER 130 3HB SER 130 5.116 -3.337 -3.255 982 HG SER 130 HG SER 130 6.526 -2.494 -1.836 983 H ASP 131 H ASP 131 7.215 -4.856 -0.249 984 HA ASP 131 HA ASP 131 9.083 -6.787 -1.074 985 HB2 ASP 131 2HB ASP 131 9.581 -4.911 0.456 986 HB3 ASP 131 3HB ASP 131 8.603 -5.674 1.703 987 H VAL 132 H VAL 132 6.447 -6.999 1.330 988 HA VAL 132 HA VAL 132 6.931 -9.594 2.259 989 HB VAL 132 HB VAL 132 4.239 -8.236 1.923 990 HG11 VAL 132 1HG1 VAL 132 5.043 -10.578 3.653 991 HG12 VAL 132 2HG1 VAL 132 3.968 -10.624 2.255 992 HG13 VAL 132 3HG1 VAL 132 3.483 -9.753 3.708 993 HG21 VAL 132 3HG2 VAL 132 6.099 -8.314 4.307 994 HG22 VAL 132 1HG2 VAL 132 4.494 -7.587 4.275 995 HG23 VAL 132 2HG2 VAL 132 5.787 -6.911 3.285 996 H VAL 133 H VAL 133 5.132 -8.504 -0.580 997 HA VAL 133 HA VAL 133 4.093 -11.045 -1.321 998 HB VAL 133 HB VAL 133 4.627 -8.694 -3.156 999 HG11 VAL 133 1HG1 VAL 133 2.627 -10.958 -3.343 1000 HG12 VAL 133 2HG1 VAL 133 4.073 -10.763 -4.335 1001 HG13 VAL 133 3HG1 VAL 133 2.752 -9.603 -4.467 1002 HG21 VAL 133 3HG2 VAL 133 3.361 -7.948 -1.204 1003 HG22 VAL 133 1HG2 VAL 133 2.190 -9.243 -1.451 1004 HG23 VAL 133 2HG2 VAL 133 2.343 -7.952 -2.644 1005 H GLN 134 H GLN 134 7.199 -9.565 -1.745 1006 HA GLN 134 HA GLN 134 8.011 -11.240 -3.970 1007 HB2 GLN 134 2HB GLN 134 9.641 -9.378 -2.221 1008 HB3 GLN 134 3HB GLN 134 10.206 -10.138 -3.703 1009 HG2 GLN 134 2HG GLN 134 8.550 -8.908 -4.992 1010 HG3 GLN 134 3HG GLN 134 7.917 -8.185 -3.515 1011 HE21 GLN 134 1HE2 GLN 134 8.338 -6.102 -4.200 1012 HE22 GLN 134 2HE2 GLN 134 9.936 -5.463 -4.321 1013 H ARG 135 H ARG 135 7.711 -11.807 -0.691 1014 HA ARG 135 HA ARG 135 10.171 -13.310 -0.313 1015 HB2 ARG 135 2HB ARG 135 7.790 -13.067 1.539 1016 HB3 ARG 135 3HB ARG 135 9.387 -13.673 1.960 1017 HG2 ARG 135 2HG ARG 135 10.354 -11.479 1.555 1018 HG3 ARG 135 3HG ARG 135 8.777 -10.864 1.061 1019 HD2 ARG 135 2HD ARG 135 7.937 -11.481 3.357 1020 HD3 ARG 135 3HD ARG 135 9.615 -11.801 3.802 1021 HE ARG 135 HE ARG 135 9.704 -9.291 2.791 1022 HH11 ARG 135 1HH1 ARG 135 7.827 -10.771 5.273 1023 HH12 ARG 135 2HH1 ARG 135 7.590 -9.287 6.122 1024 HH21 ARG 135 1HH2 ARG 135 9.387 -7.424 3.862 1025 HH22 ARG 135 2HH2 ARG 135 8.463 -7.397 5.322 Start of MODEL 18 1 H1 MET 1 1H MET 1 -50.013 -40.835 -24.560 2 H2 MET 1 2H MET 1 -50.454 -39.278 -24.077 3 H3 MET 1 3H MET 1 -51.592 -40.520 -24.041 4 HA MET 1 HA MET 1 -50.823 -40.034 -21.824 5 HB2 MET 1 2HB MET 1 -49.695 -42.674 -22.797 6 HB3 MET 1 3HB MET 1 -50.196 -42.287 -21.156 7 HG2 MET 1 2HG MET 1 -51.977 -42.519 -23.574 8 HG3 MET 1 3HG MET 1 -51.852 -43.664 -22.239 9 HE1 MET 1 3HE MET 1 -55.411 -42.254 -21.634 10 HE2 MET 1 1HE MET 1 -54.412 -43.696 -21.819 11 HE3 MET 1 2HE MET 1 -54.656 -42.609 -23.188 12 H GLY 2 H GLY 2 -49.242 -38.650 -21.127 13 HA2 GLY 2 2HA GLY 2 -46.930 -39.140 -20.094 14 HA3 GLY 2 3HA GLY 2 -46.439 -39.338 -21.764 15 H HIS 3 H HIS 3 -47.396 -37.046 -19.294 16 HA HIS 3 HA HIS 3 -45.890 -34.991 -20.750 17 HB2 HIS 3 2HB HIS 3 -47.585 -33.251 -20.143 18 HB3 HIS 3 3HB HIS 3 -48.157 -34.427 -21.319 19 HD1 HIS 3 HD1 HIS 3 -50.431 -35.240 -20.870 20 HD2 HIS 3 HD2 HIS 3 -48.542 -34.041 -17.374 21 HE1 HIS 3 HE1 HIS 3 -52.148 -35.482 -19.068 22 HE2 HIS 3 HE2 HIS 3 -50.920 -34.960 -16.939 23 H HIS 4 H HIS 4 -44.880 -36.469 -18.686 24 HA HIS 4 HA HIS 4 -45.265 -35.183 -16.132 25 HB2 HIS 4 2HB HIS 4 -44.767 -37.573 -16.287 26 HB3 HIS 4 3HB HIS 4 -43.222 -37.226 -17.047 27 HD1 HIS 4 HD1 HIS 4 -44.964 -36.498 -13.734 28 HD2 HIS 4 HD2 HIS 4 -41.159 -37.144 -15.280 29 HE1 HIS 4 HE1 HIS 4 -43.424 -36.498 -11.754 30 HE2 HIS 4 HE2 HIS 4 -41.122 -36.826 -12.716 31 H HIS 5 H HIS 5 -44.622 -33.111 -17.699 32 HA HIS 5 HA HIS 5 -42.495 -31.874 -16.382 33 HB2 HIS 5 2HB HIS 5 -40.803 -31.654 -18.152 34 HB3 HIS 5 3HB HIS 5 -41.026 -33.342 -17.708 35 HD1 HIS 5 HD1 HIS 5 -41.734 -30.912 -20.507 36 HD2 HIS 5 HD2 HIS 5 -41.927 -34.998 -19.744 37 HE1 HIS 5 HE1 HIS 5 -42.162 -31.995 -22.729 38 HE2 HIS 5 HE2 HIS 5 -42.088 -34.464 -22.266 39 H HIS 6 H HIS 6 -42.082 -29.677 -17.143 40 HA HIS 6 HA HIS 6 -43.406 -28.658 -19.463 41 HB2 HIS 6 2HB HIS 6 -44.975 -27.154 -18.402 42 HB3 HIS 6 3HB HIS 6 -45.321 -28.792 -17.866 43 HD1 HIS 6 HD1 HIS 6 -44.371 -29.369 -15.363 44 HD2 HIS 6 HD2 HIS 6 -44.638 -25.355 -16.403 45 HE1 HIS 6 HE1 HIS 6 -44.314 -28.108 -13.198 46 HE2 HIS 6 HE2 HIS 6 -44.711 -25.713 -13.846 47 H HIS 7 H HIS 7 -42.823 -26.482 -19.946 48 HA HIS 7 HA HIS 7 -40.209 -25.767 -19.259 49 HB2 HIS 7 2HB HIS 7 -41.452 -25.049 -21.317 50 HB3 HIS 7 3HB HIS 7 -42.371 -23.926 -20.324 51 HD1 HIS 7 HD1 HIS 7 -39.070 -24.394 -21.971 52 HD2 HIS 7 HD2 HIS 7 -40.913 -21.650 -19.446 53 HE1 HIS 7 HE1 HIS 7 -37.597 -22.359 -21.991 54 HE2 HIS 7 HE2 HIS 7 -38.673 -20.762 -20.371 55 H HIS 8 H HIS 8 -39.321 -24.222 -17.863 56 HA HIS 8 HA HIS 8 -40.742 -23.779 -15.431 57 HB2 HIS 8 2HB HIS 8 -38.050 -22.828 -16.411 58 HB3 HIS 8 3HB HIS 8 -38.683 -22.398 -14.825 59 HD1 HIS 8 HD1 HIS 8 -37.021 -25.123 -16.671 60 HD2 HIS 8 HD2 HIS 8 -38.986 -24.631 -13.044 61 HE1 HIS 8 HE1 HIS 8 -36.445 -27.150 -15.314 62 HE2 HIS 8 HE2 HIS 8 -37.499 -26.744 -13.069 63 H SER 9 H SER 9 -42.596 -22.617 -16.268 64 HA SER 9 HA SER 9 -42.210 -19.831 -17.019 65 HB2 SER 9 2HB SER 9 -44.711 -19.785 -17.115 66 HB3 SER 9 3HB SER 9 -44.007 -21.043 -18.130 67 HG SER 9 HG SER 9 -45.291 -21.323 -15.617 68 H HIS 10 H HIS 10 -41.749 -18.415 -15.450 69 HA HIS 10 HA HIS 10 -42.968 -18.786 -12.779 70 HB2 HIS 10 2HB HIS 10 -40.919 -17.756 -11.825 71 HB3 HIS 10 3HB HIS 10 -40.583 -19.261 -12.673 72 HD1 HIS 10 HD1 HIS 10 -39.680 -15.696 -12.598 73 HD2 HIS 10 HD2 HIS 10 -39.291 -18.890 -15.232 74 HE1 HIS 10 HE1 HIS 10 -37.949 -14.987 -14.273 75 HE2 HIS 10 HE2 HIS 10 -37.839 -16.873 -15.929 76 H MET 11 H MET 11 -42.104 -16.347 -11.653 77 HA MET 11 HA MET 11 -43.681 -14.389 -13.221 78 HB2 MET 11 2HB MET 11 -43.319 -14.606 -10.220 79 HB3 MET 11 3HB MET 11 -44.232 -13.347 -11.037 80 HG2 MET 11 2HG MET 11 -45.816 -14.989 -11.862 81 HG3 MET 11 3HG MET 11 -44.875 -16.288 -11.130 82 HE1 MET 11 3HE MET 11 -44.010 -15.031 -8.351 83 HE2 MET 11 1HE MET 11 -44.649 -16.668 -8.502 84 HE3 MET 11 2HE MET 11 -45.324 -15.565 -7.301 85 H ALA 12 H ALA 12 -43.128 -12.047 -12.114 86 HA ALA 12 HA ALA 12 -40.229 -11.687 -12.417 87 HB1 ALA 12 3HB ALA 12 -41.648 -10.283 -13.818 88 HB2 ALA 12 1HB ALA 12 -40.732 -9.305 -12.672 89 HB3 ALA 12 2HB ALA 12 -42.443 -9.630 -12.385 90 H ASN 13 H ASN 13 -38.941 -10.816 -10.820 91 HA ASN 13 HA ASN 13 -40.173 -10.158 -8.234 92 HB2 ASN 13 2HB ASN 13 -38.333 -11.528 -7.109 93 HB3 ASN 13 3HB ASN 13 -39.629 -12.435 -7.882 94 HD21 ASN 13 1HD2 ASN 13 -36.291 -11.418 -8.178 95 HD22 ASN 13 2HD2 ASN 13 -35.838 -12.632 -9.318 96 H GLY 14 H GLY 14 -39.415 -8.304 -7.464 97 HA2 GLY 14 2HA GLY 14 -37.313 -6.869 -8.744 98 HA3 GLY 14 3HA GLY 14 -38.158 -6.385 -7.285 99 H ALA 15 H ALA 15 -35.213 -7.331 -8.537 100 HA ALA 15 HA ALA 15 -34.074 -7.563 -5.844 101 HB1 ALA 15 3HB ALA 15 -33.380 -9.490 -8.064 102 HB2 ALA 15 1HB ALA 15 -34.399 -9.867 -6.674 103 HB3 ALA 15 2HB ALA 15 -32.698 -9.465 -6.438 104 H ALA 16 H ALA 16 -32.802 -5.766 -5.804 105 HA ALA 16 HA ALA 16 -31.240 -5.087 -8.217 106 HB1 ALA 16 3HB ALA 16 -31.986 -3.319 -5.887 107 HB2 ALA 16 1HB ALA 16 -32.798 -3.363 -7.451 108 HB3 ALA 16 2HB ALA 16 -31.125 -2.817 -7.342 109 H GLY 17 H GLY 17 -29.299 -6.095 -8.069 110 HA2 GLY 17 2HA GLY 17 -27.081 -6.268 -7.461 111 HA3 GLY 17 3HA GLY 17 -27.365 -5.034 -6.248 112 H THR 18 H THR 18 -29.077 -8.120 -6.429 113 HA THR 18 HA THR 18 -28.796 -8.644 -3.684 114 HB THR 18 HB THR 18 -29.377 -10.649 -5.882 115 HG1 THR 18 HG1 THR 18 -31.010 -8.824 -4.438 116 HG21 THR 18 3HG2 THR 18 -28.799 -11.740 -3.765 117 HG22 THR 18 1HG2 THR 18 -30.518 -11.925 -4.113 118 HG23 THR 18 2HG2 THR 18 -29.985 -10.744 -2.917 119 H LYS 19 H LYS 19 -27.062 -10.163 -6.435 120 HA LYS 19 HA LYS 19 -25.632 -12.003 -4.818 121 HB2 LYS 19 2HB LYS 19 -24.403 -12.577 -6.811 122 HB3 LYS 19 3HB LYS 19 -26.091 -12.336 -7.231 123 HG2 LYS 19 2HG LYS 19 -25.579 -10.128 -8.130 124 HG3 LYS 19 3HG LYS 19 -23.888 -10.318 -7.660 125 HD2 LYS 19 2HD LYS 19 -23.741 -12.298 -9.157 126 HD3 LYS 19 3HD LYS 19 -25.398 -11.991 -9.681 127 HE2 LYS 19 2HE LYS 19 -23.070 -10.087 -9.996 128 HE3 LYS 19 3HE LYS 19 -23.734 -11.107 -11.271 129 HZ1 LYS 19 3HZ LYS 19 -25.181 -8.934 -9.850 130 HZ2 LYS 19 1HZ LYS 19 -25.835 -9.918 -11.061 131 HZ3 LYS 19 2HZ LYS 19 -24.571 -8.857 -11.423 132 H VAL 20 H VAL 20 -25.157 -8.714 -4.931 133 HA VAL 20 HA VAL 20 -22.337 -9.001 -4.135 134 HB VAL 20 HB VAL 20 -22.509 -8.217 -6.515 135 HG11 VAL 20 1HG1 VAL 20 -23.709 -5.737 -5.280 136 HG12 VAL 20 2HG1 VAL 20 -24.548 -6.893 -6.315 137 HG13 VAL 20 3HG1 VAL 20 -23.228 -5.921 -6.967 138 HG21 VAL 20 3HG2 VAL 20 -20.880 -6.381 -6.289 139 HG22 VAL 20 1HG2 VAL 20 -20.508 -7.737 -5.223 140 HG23 VAL 20 2HG2 VAL 20 -21.253 -6.279 -4.569 141 H ALA 21 H ALA 21 -25.159 -8.320 -2.963 142 HA ALA 21 HA ALA 21 -25.390 -5.674 -2.222 143 HB1 ALA 21 3HB ALA 21 -26.937 -6.395 -0.523 144 HB2 ALA 21 1HB ALA 21 -26.276 -8.030 -0.566 145 HB3 ALA 21 2HB ALA 21 -27.139 -7.390 -1.965 146 H LEU 22 H LEU 22 -24.029 -8.232 -0.088 147 HA LEU 22 HA LEU 22 -23.056 -6.129 1.712 148 HB2 LEU 22 2HB LEU 22 -23.190 -9.123 2.082 149 HB3 LEU 22 3HB LEU 22 -22.648 -7.983 3.300 150 HG LEU 22 HG LEU 22 -25.439 -8.139 2.138 151 HD11 LEU 22 1HD1 LEU 22 -26.086 -8.881 4.376 152 HD12 LEU 22 2HD1 LEU 22 -24.393 -8.871 4.873 153 HD13 LEU 22 3HD1 LEU 22 -24.941 -9.995 3.629 154 HD21 LEU 22 3HD2 LEU 22 -26.029 -6.464 3.829 155 HD22 LEU 22 1HD2 LEU 22 -24.836 -5.837 2.693 156 HD23 LEU 22 2HD2 LEU 22 -24.337 -6.343 4.307 157 H ARG 23 H ARG 23 -21.767 -7.600 -0.901 158 HA ARG 23 HA ARG 23 -19.671 -7.967 -1.705 159 HB2 ARG 23 2HB ARG 23 -18.904 -6.233 0.654 160 HB3 ARG 23 3HB ARG 23 -17.796 -6.699 -0.628 161 HG2 ARG 23 2HG ARG 23 -20.322 -5.088 -1.009 162 HG3 ARG 23 3HG ARG 23 -18.686 -4.431 -0.934 163 HD2 ARG 23 2HD ARG 23 -19.755 -6.353 -3.006 164 HD3 ARG 23 3HD ARG 23 -19.405 -4.641 -3.245 165 HE ARG 23 HE ARG 23 -17.029 -5.247 -2.751 166 HH11 ARG 23 1HH1 ARG 23 -19.216 -7.591 -4.001 167 HH12 ARG 23 2HH1 ARG 23 -17.963 -8.546 -4.702 168 HH21 ARG 23 1HH2 ARG 23 -15.430 -6.460 -3.674 169 HH22 ARG 23 2HH2 ARG 23 -15.838 -7.902 -4.526 170 H LYS 24 H LYS 24 -20.744 -9.595 0.789 171 HA LYS 24 HA LYS 24 -18.262 -10.721 1.825 172 HB2 LYS 24 2HB LYS 24 -21.172 -11.280 2.433 173 HB3 LYS 24 3HB LYS 24 -19.839 -12.121 3.206 174 HG2 LYS 24 2HG LYS 24 -20.230 -9.138 3.316 175 HG3 LYS 24 3HG LYS 24 -20.831 -10.254 4.538 176 HD2 LYS 24 2HD LYS 24 -17.919 -10.082 3.758 177 HD3 LYS 24 3HD LYS 24 -18.626 -9.116 5.052 178 HE2 LYS 24 2HE LYS 24 -17.619 -11.019 6.065 179 HE3 LYS 24 3HE LYS 24 -19.359 -11.262 6.138 180 HZ1 LYS 24 3HZ LYS 24 -19.214 -12.781 4.292 181 HZ2 LYS 24 1HZ LYS 24 -18.131 -13.264 5.494 182 HZ3 LYS 24 2HZ LYS 24 -17.560 -12.478 4.114 183 H THR 25 H THR 25 -20.477 -11.409 -0.689 184 HA THR 25 HA THR 25 -19.951 -14.297 -0.628 185 HB THR 25 HB THR 25 -21.803 -14.387 -2.355 186 HG1 THR 25 HG1 THR 25 -22.400 -12.511 -3.137 187 HG21 THR 25 3HG2 THR 25 -22.460 -13.182 0.341 188 HG22 THR 25 1HG2 THR 25 -22.240 -14.896 -0.010 189 HG23 THR 25 2HG2 THR 25 -23.603 -14.021 -0.708 190 H LYS 26 H LYS 26 -18.717 -15.316 -2.105 191 HA LYS 26 HA LYS 26 -17.690 -13.937 -4.437 192 HB2 LYS 26 2HB LYS 26 -17.424 -16.791 -3.467 193 HB3 LYS 26 3HB LYS 26 -16.746 -16.241 -4.988 194 HG2 LYS 26 2HG LYS 26 -15.430 -14.539 -3.668 195 HG3 LYS 26 3HG LYS 26 -15.973 -15.376 -2.209 196 HD2 LYS 26 2HD LYS 26 -14.907 -17.425 -2.919 197 HD3 LYS 26 3HD LYS 26 -14.513 -16.730 -4.491 198 HE2 LYS 26 2HE LYS 26 -12.512 -16.683 -3.243 199 HE3 LYS 26 3HE LYS 26 -13.110 -15.028 -3.239 200 HZ1 LYS 26 3HZ LYS 26 -13.446 -16.981 -1.030 201 HZ2 LYS 26 1HZ LYS 26 -13.972 -15.375 -1.020 202 HZ3 LYS 26 2HZ LYS 26 -12.318 -15.722 -1.062 203 H GLN 27 H GLN 27 -17.769 -15.887 -6.422 204 HA GLN 27 HA GLN 27 -20.398 -16.830 -6.937 205 HB2 GLN 27 2HB GLN 27 -20.861 -15.229 -8.870 206 HB3 GLN 27 3HB GLN 27 -21.088 -14.599 -7.245 207 HG2 GLN 27 2HG GLN 27 -18.775 -13.606 -7.421 208 HG3 GLN 27 3HG GLN 27 -18.801 -14.054 -9.127 209 HE21 GLN 27 1HE2 GLN 27 -20.225 -12.007 -6.684 210 HE22 GLN 27 2HE2 GLN 27 -20.958 -10.895 -7.781 211 H ALA 28 H ALA 28 -17.532 -15.556 -8.671 212 HA ALA 28 HA ALA 28 -16.738 -18.086 -9.632 213 HB1 ALA 28 3HB ALA 28 -18.111 -16.360 -11.706 214 HB2 ALA 28 1HB ALA 28 -18.742 -17.871 -11.048 215 HB3 ALA 28 2HB ALA 28 -17.265 -17.878 -12.011 216 H ALA 29 H ALA 29 -14.705 -18.022 -10.587 217 HA ALA 29 HA ALA 29 -13.002 -15.894 -10.120 218 HB1 ALA 29 3HB ALA 29 -12.246 -18.183 -10.537 219 HB2 ALA 29 1HB ALA 29 -11.397 -17.030 -11.567 220 HB3 ALA 29 2HB ALA 29 -12.691 -18.026 -12.236 221 H GLU 30 H GLU 30 -15.131 -16.374 -12.804 222 HA GLU 30 HA GLU 30 -14.064 -14.719 -14.766 223 HB2 GLU 30 2HB GLU 30 -17.015 -14.857 -14.139 224 HB3 GLU 30 3HB GLU 30 -16.249 -14.632 -15.705 225 HG2 GLU 30 2HG GLU 30 -16.283 -17.153 -14.054 226 HG3 GLU 30 3HG GLU 30 -17.163 -16.853 -15.551 227 H LYS 31 H LYS 31 -15.897 -13.885 -11.875 228 HA LYS 31 HA LYS 31 -15.748 -11.018 -12.557 229 HB2 LYS 31 2HB LYS 31 -18.008 -11.908 -12.180 230 HB3 LYS 31 3HB LYS 31 -17.535 -12.454 -10.579 231 HG2 LYS 31 2HG LYS 31 -18.830 -10.396 -10.463 232 HG3 LYS 31 3HG LYS 31 -17.187 -10.137 -9.875 233 HD2 LYS 31 2HD LYS 31 -16.563 -9.135 -12.010 234 HD3 LYS 31 3HD LYS 31 -18.176 -9.446 -12.648 235 HE2 LYS 31 2HE LYS 31 -19.130 -7.946 -10.959 236 HE3 LYS 31 3HE LYS 31 -17.517 -7.636 -10.318 237 HZ1 LYS 31 3HZ LYS 31 -18.394 -5.921 -11.881 238 HZ2 LYS 31 1HZ LYS 31 -18.285 -7.062 -13.124 239 HZ3 LYS 31 2HZ LYS 31 -16.888 -6.559 -12.312 240 H ILE 32 H ILE 32 -14.688 -13.403 -10.245 241 HA ILE 32 HA ILE 32 -14.155 -11.674 -8.057 242 HB ILE 32 HB ILE 32 -12.923 -14.358 -8.730 243 HG12 ILE 32 2HG1 ILE 32 -15.155 -13.651 -6.798 244 HG13 ILE 32 3HG1 ILE 32 -15.398 -14.349 -8.395 245 HG21 ILE 32 1HG2 ILE 32 -12.856 -12.798 -6.138 246 HG22 ILE 32 2HG2 ILE 32 -11.482 -13.147 -7.189 247 HG23 ILE 32 3HG2 ILE 32 -12.299 -14.460 -6.342 248 HD11 ILE 32 3HD1 ILE 32 -13.908 -15.650 -6.128 249 HD12 ILE 32 1HD1 ILE 32 -14.203 -16.352 -7.718 250 HD13 ILE 32 2HD1 ILE 32 -15.556 -16.019 -6.635 251 H SER 33 H SER 33 -12.918 -9.914 -8.435 252 HA SER 33 HA SER 33 -10.778 -9.589 -10.151 253 HB2 SER 33 2HB SER 33 -11.121 -8.239 -7.456 254 HB3 SER 33 3HB SER 33 -10.155 -7.641 -8.806 255 HG SER 33 HG SER 33 -11.982 -6.608 -9.176 256 H ALA 34 H ALA 34 -10.766 -10.978 -6.917 257 HA ALA 34 HA ALA 34 -8.078 -10.909 -6.257 258 HB1 ALA 34 3HB ALA 34 -8.515 -12.838 -4.830 259 HB2 ALA 34 1HB ALA 34 -10.021 -13.150 -5.697 260 HB3 ALA 34 2HB ALA 34 -9.840 -11.678 -4.743 261 H ASP 35 H ASP 35 -9.743 -13.219 -8.371 262 HA ASP 35 HA ASP 35 -7.525 -14.974 -8.718 263 HB2 ASP 35 2HB ASP 35 -9.890 -15.611 -9.117 264 HB3 ASP 35 3HB ASP 35 -9.928 -14.540 -10.514 265 H LYS 36 H LYS 36 -8.534 -12.023 -10.247 266 HA LYS 36 HA LYS 36 -6.861 -12.216 -12.569 267 HB2 LYS 36 2HB LYS 36 -8.848 -10.871 -12.672 268 HB3 LYS 36 3HB LYS 36 -8.348 -9.923 -11.277 269 HG2 LYS 36 2HG LYS 36 -6.380 -9.144 -12.682 270 HG3 LYS 36 3HG LYS 36 -7.199 -9.882 -14.061 271 HD2 LYS 36 2HD LYS 36 -9.160 -8.462 -13.645 272 HD3 LYS 36 3HD LYS 36 -8.332 -7.722 -12.275 273 HE2 LYS 36 2HE LYS 36 -6.589 -6.886 -13.801 274 HE3 LYS 36 3HE LYS 36 -7.447 -7.611 -15.163 275 HZ1 LYS 36 3HZ LYS 36 -7.991 -5.303 -15.026 276 HZ2 LYS 36 1HZ LYS 36 -8.435 -5.439 -13.398 277 HZ3 LYS 36 2HZ LYS 36 -9.359 -6.195 -14.593 278 H ILE 37 H ILE 37 -6.539 -10.761 -9.365 279 HA ILE 37 HA ILE 37 -4.439 -8.988 -9.926 280 HB ILE 37 HB ILE 37 -4.896 -10.326 -7.253 281 HG12 ILE 37 2HG1 ILE 37 -7.031 -9.452 -7.954 282 HG13 ILE 37 3HG1 ILE 37 -6.365 -8.351 -6.757 283 HG21 ILE 37 1HG2 ILE 37 -3.978 -8.222 -6.351 284 HG22 ILE 37 2HG2 ILE 37 -3.698 -7.652 -7.996 285 HG23 ILE 37 3HG2 ILE 37 -2.826 -9.059 -7.391 286 HD11 ILE 37 3HD1 ILE 37 -5.652 -6.850 -8.573 287 HD12 ILE 37 1HD1 ILE 37 -7.395 -7.113 -8.544 288 HD13 ILE 37 2HD1 ILE 37 -6.400 -7.942 -9.742 289 H SER 38 H SER 38 -2.685 -9.742 -10.987 290 HA SER 38 HA SER 38 -1.301 -12.155 -10.111 291 HB2 SER 38 2HB SER 38 -0.584 -10.179 -12.301 292 HB3 SER 38 3HB SER 38 0.180 -11.745 -12.030 293 HG SER 38 HG SER 38 -2.597 -11.698 -12.341 294 H LYS 39 H LYS 39 0.967 -12.152 -9.498 295 HA LYS 39 HA LYS 39 1.695 -10.427 -7.479 296 HB2 LYS 39 2HB LYS 39 2.842 -12.503 -7.720 297 HB3 LYS 39 3HB LYS 39 3.402 -12.089 -9.333 298 HG2 LYS 39 2HG LYS 39 4.925 -10.455 -8.451 299 HG3 LYS 39 3HG LYS 39 4.276 -10.665 -6.824 300 HD2 LYS 39 2HD LYS 39 5.118 -12.926 -6.721 301 HD3 LYS 39 3HD LYS 39 5.617 -12.860 -8.413 302 HE2 LYS 39 2HE LYS 39 6.731 -11.088 -6.237 303 HE3 LYS 39 3HE LYS 39 7.487 -12.581 -6.790 304 HZ1 LYS 39 3HZ LYS 39 7.695 -11.635 -8.994 305 HZ2 LYS 39 1HZ LYS 39 8.443 -10.632 -7.859 306 HZ3 LYS 39 2HZ LYS 39 6.936 -10.212 -8.493 307 H GLU 40 H GLU 40 2.909 -10.256 -10.843 308 HA GLU 40 HA GLU 40 4.349 -7.875 -10.592 309 HB2 GLU 40 2HB GLU 40 4.074 -7.684 -13.077 310 HB3 GLU 40 3HB GLU 40 4.669 -9.245 -12.530 311 HG2 GLU 40 2HG GLU 40 2.454 -10.211 -12.798 312 HG3 GLU 40 3HG GLU 40 1.814 -8.642 -13.287 313 H ALA 41 H ALA 41 0.945 -8.335 -11.551 314 HA ALA 41 HA ALA 41 0.304 -5.715 -12.214 315 HB1 ALA 41 3HB ALA 41 -1.492 -7.766 -10.914 316 HB2 ALA 41 1HB ALA 41 -1.175 -7.608 -12.642 317 HB3 ALA 41 2HB ALA 41 -2.025 -6.324 -11.780 318 H LEU 42 H LEU 42 0.327 -7.248 -9.019 319 HA LEU 42 HA LEU 42 -0.728 -4.967 -7.642 320 HB2 LEU 42 2HB LEU 42 -0.839 -7.357 -6.855 321 HB3 LEU 42 3HB LEU 42 0.870 -7.265 -6.491 322 HG LEU 42 HG LEU 42 -1.072 -5.341 -5.218 323 HD11 LEU 42 1HD1 LEU 42 -1.243 -6.866 -3.306 324 HD12 LEU 42 2HD1 LEU 42 -0.358 -8.096 -4.209 325 HD13 LEU 42 3HD1 LEU 42 -1.946 -7.566 -4.764 326 HD21 LEU 42 3HD2 LEU 42 0.619 -5.298 -3.428 327 HD22 LEU 42 1HD2 LEU 42 1.302 -4.817 -4.981 328 HD23 LEU 42 2HD2 LEU 42 1.610 -6.433 -4.346 329 H LEU 43 H LEU 43 2.577 -6.327 -7.931 330 HA LEU 43 HA LEU 43 3.887 -4.423 -6.346 331 HB2 LEU 43 2HB LEU 43 4.980 -5.944 -8.717 332 HB3 LEU 43 3HB LEU 43 5.949 -5.098 -7.524 333 HG LEU 43 HG LEU 43 4.209 -7.525 -7.024 334 HD11 LEU 43 1HD1 LEU 43 6.323 -8.660 -6.576 335 HD12 LEU 43 2HD1 LEU 43 7.210 -7.189 -6.976 336 HD13 LEU 43 3HD1 LEU 43 6.280 -8.024 -8.220 337 HD21 LEU 43 3HD2 LEU 43 4.179 -6.038 -5.087 338 HD22 LEU 43 1HD2 LEU 43 5.943 -5.973 -5.096 339 HD23 LEU 43 2HD2 LEU 43 5.117 -7.492 -4.749 340 H GLU 44 H GLU 44 3.355 -4.411 -9.871 341 HA GLU 44 HA GLU 44 4.705 -2.015 -10.427 342 HB2 GLU 44 2HB GLU 44 2.337 -3.227 -11.872 343 HB3 GLU 44 3HB GLU 44 3.359 -1.947 -12.508 344 HG2 GLU 44 2HG GLU 44 4.128 -4.799 -11.933 345 HG3 GLU 44 3HG GLU 44 4.048 -3.999 -13.500 346 H CYS 45 H CYS 45 1.373 -2.566 -9.355 347 HA CYS 45 HA CYS 45 0.506 0.130 -9.552 348 HB2 CYS 45 2HB CYS 45 -0.425 -2.100 -7.724 349 HB3 CYS 45 3HB CYS 45 -1.231 -0.543 -7.872 350 HG CYS 45 HG CYS 45 -1.667 -3.232 -9.659 351 H ALA 46 H ALA 46 2.174 -1.677 -7.017 352 HA ALA 46 HA ALA 46 2.094 0.353 -5.031 353 HB1 ALA 46 3HB ALA 46 3.808 -0.950 -3.894 354 HB2 ALA 46 1HB ALA 46 4.091 -1.890 -5.361 355 HB3 ALA 46 2HB ALA 46 2.542 -2.007 -4.522 356 H ASP 47 H ASP 47 4.423 -0.419 -7.592 357 HA ASP 47 HA ASP 47 6.493 1.318 -6.943 358 HB2 ASP 47 2HB ASP 47 6.693 -0.321 -8.720 359 HB3 ASP 47 3HB ASP 47 5.448 0.492 -9.663 360 H LEU 48 H LEU 48 3.420 2.021 -8.515 361 HA LEU 48 HA LEU 48 3.932 4.632 -9.393 362 HB2 LEU 48 2HB LEU 48 1.377 3.319 -8.473 363 HB3 LEU 48 3HB LEU 48 1.429 4.929 -9.169 364 HG LEU 48 HG LEU 48 2.268 2.378 -10.566 365 HD11 LEU 48 1HD1 LEU 48 0.309 2.786 -11.983 366 HD12 LEU 48 2HD1 LEU 48 -0.134 4.166 -10.976 367 HD13 LEU 48 3HD1 LEU 48 -0.147 2.537 -10.298 368 HD21 LEU 48 3HD2 LEU 48 3.628 4.233 -11.311 369 HD22 LEU 48 1HD2 LEU 48 2.197 5.242 -11.529 370 HD23 LEU 48 2HD2 LEU 48 2.452 3.834 -12.563 371 H LEU 49 H LEU 49 2.898 3.462 -6.209 372 HA LEU 49 HA LEU 49 2.431 6.061 -5.123 373 HB2 LEU 49 2HB LEU 49 2.862 3.367 -3.831 374 HB3 LEU 49 3HB LEU 49 2.635 4.828 -2.887 375 HG LEU 49 HG LEU 49 0.415 5.150 -3.982 376 HD11 LEU 49 1HD1 LEU 49 0.920 2.405 -5.132 377 HD12 LEU 49 2HD1 LEU 49 0.837 3.914 -6.043 378 HD13 LEU 49 3HD1 LEU 49 -0.595 3.306 -5.213 379 HD21 LEU 49 3HD2 LEU 49 0.584 4.077 -1.789 380 HD22 LEU 49 1HD2 LEU 49 0.771 2.502 -2.565 381 HD23 LEU 49 2HD2 LEU 49 -0.741 3.397 -2.732 382 H SER 50 H SER 50 5.165 3.779 -4.763 383 HA SER 50 HA SER 50 6.855 5.396 -3.253 384 HB2 SER 50 2HB SER 50 7.633 3.435 -5.435 385 HB3 SER 50 3HB SER 50 8.733 4.088 -4.220 386 HG SER 50 HG SER 50 7.656 1.939 -3.848 387 H SER 51 H SER 51 6.422 5.337 -6.780 388 HA SER 51 HA SER 51 8.330 7.337 -7.398 389 HB2 SER 51 2HB SER 51 7.461 5.906 -9.145 390 HB3 SER 51 3HB SER 51 5.820 6.475 -8.858 391 HG SER 51 HG SER 51 7.727 7.534 -10.428 392 H ALA 52 H ALA 52 4.820 7.548 -6.823 393 HA ALA 52 HA ALA 52 4.658 10.345 -7.335 394 HB1 ALA 52 3HB ALA 52 2.360 10.161 -6.560 395 HB2 ALA 52 1HB ALA 52 2.697 8.561 -5.896 396 HB3 ALA 52 2HB ALA 52 2.761 8.822 -7.640 397 H LEU 53 H LEU 53 5.507 8.557 -4.497 398 HA LEU 53 HA LEU 53 4.966 10.755 -2.675 399 HB2 LEU 53 2HB LEU 53 6.267 8.062 -2.291 400 HB3 LEU 53 3HB LEU 53 6.092 9.236 -0.999 401 HG LEU 53 HG LEU 53 3.758 8.085 -2.539 402 HD11 LEU 53 1HD1 LEU 53 4.813 7.263 0.166 403 HD12 LEU 53 2HD1 LEU 53 4.934 6.316 -1.317 404 HD13 LEU 53 3HD1 LEU 53 3.352 6.657 -0.614 405 HD21 LEU 53 3HD2 LEU 53 3.322 10.255 -1.506 406 HD22 LEU 53 1HD2 LEU 53 3.896 9.645 0.046 407 HD23 LEU 53 2HD2 LEU 53 2.435 8.975 -0.681 408 H THR 54 H THR 54 7.549 9.802 -4.705 409 HA THR 54 HA THR 54 9.578 11.237 -3.148 410 HB THR 54 HB THR 54 11.145 10.578 -4.990 411 HG1 THR 54 HG1 THR 54 9.316 8.714 -5.970 412 HG21 THR 54 3HG2 THR 54 11.228 8.197 -4.409 413 HG22 THR 54 1HG2 THR 54 9.599 8.296 -3.743 414 HG23 THR 54 2HG2 THR 54 10.917 9.185 -2.979 415 H GLU 55 H GLU 55 8.030 11.454 -6.359 416 HA GLU 55 HA GLU 55 9.067 14.168 -6.708 417 HB2 GLU 55 2HB GLU 55 8.036 14.088 -8.926 418 HB3 GLU 55 3HB GLU 55 9.061 12.685 -8.660 419 HG2 GLU 55 2HG GLU 55 7.171 11.267 -8.328 420 HG3 GLU 55 3HG GLU 55 6.071 12.644 -8.300 421 HA PRO 56 HA PRO 56 5.445 16.255 -5.195 422 HB2 PRO 56 2HB PRO 56 5.650 18.134 -7.476 423 HB3 PRO 56 3HB PRO 56 5.739 18.456 -5.742 424 HG2 PRO 56 2HG PRO 56 7.924 18.563 -7.286 425 HG3 PRO 56 3HG PRO 56 7.997 17.943 -5.627 426 HD2 PRO 56 2HD PRO 56 7.953 16.428 -8.215 427 HD3 PRO 56 3HD PRO 56 8.912 16.128 -6.749 428 H VAL 57 H VAL 57 3.435 15.529 -5.414 429 HA VAL 57 HA VAL 57 2.060 15.702 -8.009 430 HB VAL 57 HB VAL 57 0.964 13.521 -7.669 431 HG11 VAL 57 1HG1 VAL 57 2.857 12.047 -8.178 432 HG12 VAL 57 2HG1 VAL 57 3.978 13.304 -7.650 433 HG13 VAL 57 3HG1 VAL 57 2.957 13.568 -9.062 434 HG21 VAL 57 3HG2 VAL 57 1.753 11.960 -5.961 435 HG22 VAL 57 1HG2 VAL 57 1.099 13.427 -5.232 436 HG23 VAL 57 2HG2 VAL 57 2.845 13.194 -5.328 437 HA PRO 58 HA PRO 58 -1.375 17.298 -5.609 438 HB2 PRO 58 2HB PRO 58 -3.508 15.945 -6.751 439 HB3 PRO 58 3HB PRO 58 -2.774 17.409 -7.410 440 HG2 PRO 58 2HG PRO 58 -2.326 14.553 -8.177 441 HG3 PRO 58 3HG PRO 58 -2.449 15.987 -9.214 442 HD2 PRO 58 2HD PRO 58 -0.078 14.867 -8.626 443 HD3 PRO 58 3HD PRO 58 -0.256 16.626 -8.799 444 H ASN 59 H ASN 59 -2.047 16.777 -3.601 445 HA ASN 59 HA ASN 59 -1.560 14.284 -2.436 446 HB2 ASN 59 2HB ASN 59 -3.327 16.560 -1.528 447 HB3 ASN 59 3HB ASN 59 -2.973 15.153 -0.526 448 HD21 ASN 59 1HD2 ASN 59 -0.867 14.865 0.250 449 HD22 ASN 59 2HD2 ASN 59 0.279 16.152 0.266 450 H SER 60 H SER 60 -4.454 15.497 -3.995 451 HA SER 60 HA SER 60 -6.279 13.505 -3.205 452 HB2 SER 60 2HB SER 60 -7.001 15.527 -4.395 453 HB3 SER 60 3HB SER 60 -6.129 15.008 -5.837 454 HG SER 60 HG SER 60 -7.753 13.776 -6.342 455 H GLN 61 H GLN 61 -3.917 13.588 -5.841 456 HA GLN 61 HA GLN 61 -4.607 11.136 -7.063 457 HB2 GLN 61 2HB GLN 61 -3.188 12.806 -8.171 458 HB3 GLN 61 3HB GLN 61 -1.933 12.559 -6.965 459 HG2 GLN 61 2HG GLN 61 -1.678 10.229 -7.734 460 HG3 GLN 61 3HG GLN 61 -2.900 10.520 -8.972 461 HE21 GLN 61 1HE2 GLN 61 -0.122 9.737 -9.316 462 HE22 GLN 61 2HE2 GLN 61 0.609 10.974 -10.272 463 H LEU 62 H LEU 62 -2.359 11.926 -4.434 464 HA LEU 62 HA LEU 62 -1.169 9.413 -4.096 465 HB2 LEU 62 2HB LEU 62 -1.805 11.553 -2.064 466 HB3 LEU 62 3HB LEU 62 -0.819 10.145 -1.709 467 HG LEU 62 HG LEU 62 -0.148 12.226 -3.802 468 HD11 LEU 62 1HD1 LEU 62 0.997 11.845 -1.032 469 HD12 LEU 62 2HD1 LEU 62 -0.043 13.172 -1.550 470 HD13 LEU 62 3HD1 LEU 62 1.567 12.993 -2.245 471 HD21 LEU 62 3HD2 LEU 62 2.066 11.124 -3.787 472 HD22 LEU 62 1HD2 LEU 62 0.779 10.053 -4.339 473 HD23 LEU 62 2HD2 LEU 62 1.423 9.888 -2.705 474 H VAL 63 H VAL 63 -3.995 10.730 -2.349 475 HA VAL 63 HA VAL 63 -4.569 8.364 -0.919 476 HB VAL 63 HB VAL 63 -6.505 10.569 -1.679 477 HG11 VAL 63 1HG1 VAL 63 -7.634 8.568 -0.840 478 HG12 VAL 63 2HG1 VAL 63 -7.741 9.879 0.333 479 HG13 VAL 63 3HG1 VAL 63 -6.596 8.561 0.585 480 HG21 VAL 63 3HG2 VAL 63 -5.930 11.586 0.474 481 HG22 VAL 63 1HG2 VAL 63 -4.513 11.469 -0.570 482 HG23 VAL 63 2HG2 VAL 63 -4.727 10.328 0.759 483 H ASP 64 H ASP 64 -5.788 9.588 -4.023 484 HA ASP 64 HA ASP 64 -7.748 7.602 -4.458 485 HB2 ASP 64 2HB ASP 64 -7.511 9.789 -5.702 486 HB3 ASP 64 3HB ASP 64 -6.178 9.066 -6.596 487 H THR 65 H THR 65 -4.424 7.850 -5.725 488 HA THR 65 HA THR 65 -4.366 5.373 -7.054 489 HB THR 65 HB THR 65 -2.012 6.891 -5.886 490 HG1 THR 65 HG1 THR 65 -2.689 8.296 -7.346 491 HG21 THR 65 3HG2 THR 65 -1.434 4.584 -6.531 492 HG22 THR 65 1HG2 THR 65 -0.696 5.758 -7.623 493 HG23 THR 65 2HG2 THR 65 -2.125 4.860 -8.130 494 H GLY 66 H GLY 66 -3.742 6.213 -3.689 495 HA2 GLY 66 2HA GLY 66 -2.708 3.685 -2.885 496 HA3 GLY 66 3HA GLY 66 -3.461 4.874 -1.832 497 H HIS 67 H HIS 67 -5.989 4.881 -3.350 498 HA HIS 67 HA HIS 67 -7.355 2.906 -1.883 499 HB2 HIS 67 2HB HIS 67 -8.190 4.681 -4.162 500 HB3 HIS 67 3HB HIS 67 -9.296 3.494 -3.480 501 HD1 HIS 67 HD1 HIS 67 -9.580 6.685 -3.355 502 HD2 HIS 67 HD2 HIS 67 -8.357 4.169 -0.280 503 HE1 HIS 67 HE1 HIS 67 -10.101 7.914 -1.233 504 HE2 HIS 67 HE2 HIS 67 -9.568 6.281 0.599 505 H GLN 68 H GLN 68 -6.168 2.823 -5.243 506 HA GLN 68 HA GLN 68 -7.543 0.443 -5.960 507 HB2 GLN 68 2HB GLN 68 -6.090 0.290 -7.860 508 HB3 GLN 68 3HB GLN 68 -6.460 1.988 -7.606 509 HG2 GLN 68 2HG GLN 68 -4.286 2.311 -6.547 510 HG3 GLN 68 3HG GLN 68 -3.913 0.606 -6.774 511 HE21 GLN 68 1HE2 GLN 68 -2.519 2.962 -7.763 512 HE22 GLN 68 2HE2 GLN 68 -2.478 2.817 -9.483 513 H LEU 69 H LEU 69 -4.421 1.024 -4.402 514 HA LEU 69 HA LEU 69 -3.435 -1.597 -4.365 515 HB2 LEU 69 2HB LEU 69 -3.003 0.837 -2.700 516 HB3 LEU 69 3HB LEU 69 -2.444 -0.687 -2.044 517 HG LEU 69 HG LEU 69 -0.650 0.536 -3.212 518 HD11 LEU 69 1HD1 LEU 69 0.163 -1.304 -4.593 519 HD12 LEU 69 2HD1 LEU 69 -1.453 -2.011 -4.624 520 HD13 LEU 69 3HD1 LEU 69 -0.565 -1.910 -3.105 521 HD21 LEU 69 3HD2 LEU 69 -0.693 0.788 -5.639 522 HD22 LEU 69 1HD2 LEU 69 -2.017 1.682 -4.890 523 HD23 LEU 69 2HD2 LEU 69 -2.334 0.141 -5.691 524 H LEU 70 H LEU 70 -5.728 0.017 -2.199 525 HA LEU 70 HA LEU 70 -5.997 -2.020 -0.292 526 HB2 LEU 70 2HB LEU 70 -7.731 0.226 -1.215 527 HB3 LEU 70 3HB LEU 70 -8.480 -1.026 -0.244 528 HG LEU 70 HG LEU 70 -7.759 0.894 1.111 529 HD11 LEU 70 1HD1 LEU 70 -6.257 -1.669 1.643 530 HD12 LEU 70 2HD1 LEU 70 -7.895 -1.276 2.165 531 HD13 LEU 70 3HD1 LEU 70 -6.523 -0.386 2.821 532 HD21 LEU 70 3HD2 LEU 70 -5.404 1.363 1.475 533 HD22 LEU 70 1HD2 LEU 70 -5.811 1.571 -0.228 534 HD23 LEU 70 2HD2 LEU 70 -4.949 0.124 0.303 535 H ASP 71 H ASP 71 -7.679 -1.596 -3.404 536 HA ASP 71 HA ASP 71 -9.390 -3.849 -3.008 537 HB2 ASP 71 2HB ASP 71 -9.865 -1.909 -4.552 538 HB3 ASP 71 3HB ASP 71 -8.679 -2.590 -5.666 539 H TYR 72 H TYR 72 -6.509 -3.380 -5.086 540 HA TYR 72 HA TYR 72 -6.243 -5.980 -6.025 541 HB2 TYR 72 2HB TYR 72 -4.216 -3.827 -5.451 542 HB3 TYR 72 3HB TYR 72 -3.707 -5.400 -6.052 543 HD1 TYR 72 HD1 TYR 72 -6.244 -2.760 -6.883 544 HD2 TYR 72 HD2 TYR 72 -3.439 -5.613 -8.339 545 HE1 TYR 72 HE1 TYR 72 -6.701 -2.027 -9.183 546 HE2 TYR 72 HE2 TYR 72 -3.890 -4.885 -10.645 547 HH TYR 72 HH TYR 72 -5.522 -2.044 -11.399 548 H CYS 73 H CYS 73 -4.926 -4.607 -3.014 549 HA CYS 73 HA CYS 73 -3.582 -6.968 -2.196 550 HB2 CYS 73 2HB CYS 73 -4.505 -4.559 -0.616 551 HB3 CYS 73 3HB CYS 73 -3.519 -5.853 0.059 552 HG CYS 73 HG CYS 73 -2.627 -3.294 -1.897 553 H SER 74 H SER 74 -6.753 -5.620 -1.219 554 HA SER 74 HA SER 74 -7.426 -7.544 0.691 555 HB2 SER 74 2HB SER 74 -9.779 -6.884 0.304 556 HB3 SER 74 3HB SER 74 -8.716 -5.480 0.407 557 HG SER 74 HG SER 74 -8.955 -5.107 -1.701 558 H GLY 75 H GLY 75 -7.663 -7.676 -2.813 559 HA2 GLY 75 2HA GLY 75 -9.108 -10.186 -2.816 560 HA3 GLY 75 3HA GLY 75 -8.435 -9.366 -4.217 561 H TYR 76 H TYR 76 -5.804 -9.219 -3.783 562 HA TYR 76 HA TYR 76 -4.841 -11.716 -4.501 563 HB2 TYR 76 2HB TYR 76 -3.692 -9.552 -4.920 564 HB3 TYR 76 3HB TYR 76 -3.262 -9.470 -3.217 565 HD1 TYR 76 HD2 TYR 76 -2.712 -11.370 -6.351 566 HD2 TYR 76 HD1 TYR 76 -1.358 -10.648 -2.376 567 HE1 TYR 76 HE2 TYR 76 -0.658 -12.632 -6.826 568 HE2 TYR 76 HE1 TYR 76 0.702 -11.904 -2.847 569 HH TYR 76 HH TYR 76 1.430 -13.723 -4.460 570 H VAL 77 H VAL 77 -4.986 -10.257 -1.273 571 HA VAL 77 HA VAL 77 -3.278 -12.035 0.057 572 HB VAL 77 HB VAL 77 -4.140 -9.861 0.971 573 HG11 VAL 77 1HG1 VAL 77 -6.255 -9.877 2.230 574 HG12 VAL 77 2HG1 VAL 77 -6.608 -11.483 1.594 575 HG13 VAL 77 3HG1 VAL 77 -6.505 -10.104 0.499 576 HG21 VAL 77 3HG2 VAL 77 -4.138 -10.583 3.300 577 HG22 VAL 77 1HG2 VAL 77 -2.914 -11.450 2.372 578 HG23 VAL 77 2HG2 VAL 77 -4.428 -12.248 2.797 579 H ASP 78 H ASP 78 -6.630 -12.416 -0.894 580 HA ASP 78 HA ASP 78 -7.297 -14.542 0.876 581 HB2 ASP 78 2HB ASP 78 -8.918 -13.059 -0.383 582 HB3 ASP 78 3HB ASP 78 -8.531 -13.976 -1.834 583 H CYS 79 H CYS 79 -5.522 -14.404 -2.090 584 HA CYS 79 HA CYS 79 -5.757 -17.266 -2.621 585 HB2 CYS 79 2HB CYS 79 -5.787 -15.755 -4.530 586 HB3 CYS 79 3HB CYS 79 -4.225 -15.091 -4.066 587 HG CYS 79 HG CYS 79 -4.824 -17.552 -6.080 588 H ILE 80 H ILE 80 -3.662 -15.225 -0.833 589 HA ILE 80 HA ILE 80 -1.174 -16.494 -1.317 590 HB ILE 80 HB ILE 80 -2.049 -14.913 1.115 591 HG12 ILE 80 2HG1 ILE 80 -0.517 -14.083 -1.373 592 HG13 ILE 80 3HG1 ILE 80 -2.167 -13.618 -0.976 593 HG21 ILE 80 1HG2 ILE 80 0.357 -14.615 1.553 594 HG22 ILE 80 2HG2 ILE 80 0.731 -15.698 0.212 595 HG23 ILE 80 3HG2 ILE 80 -0.116 -16.312 1.632 596 HD11 ILE 80 3HD1 ILE 80 -1.343 -12.402 0.984 597 HD12 ILE 80 1HD1 ILE 80 -0.625 -11.811 -0.515 598 HD13 ILE 80 2HD1 ILE 80 0.309 -12.853 0.560 599 HA PRO 81 HA PRO 81 -1.917 -20.198 1.175 600 HB2 PRO 81 2HB PRO 81 0.325 -21.523 0.451 601 HB3 PRO 81 3HB PRO 81 -1.069 -21.371 -0.626 602 HG2 PRO 81 2HG PRO 81 1.488 -19.811 -0.606 603 HG3 PRO 81 3HG PRO 81 0.593 -20.470 -1.987 604 HD2 PRO 81 2HD PRO 81 0.457 -17.848 -1.204 605 HD3 PRO 81 3HD PRO 81 -0.858 -18.687 -2.051 606 H GLN 82 H GLN 82 1.357 -18.708 1.066 607 HA GLN 82 HA GLN 82 2.189 -19.672 3.592 608 HB2 GLN 82 2HB GLN 82 3.746 -18.835 1.858 609 HB3 GLN 82 3HB GLN 82 3.141 -17.206 2.106 610 HG2 GLN 82 2HG GLN 82 5.242 -17.474 3.240 611 HG3 GLN 82 3HG GLN 82 3.956 -17.269 4.424 612 HE21 GLN 82 1HE2 GLN 82 4.566 -20.266 2.705 613 HE22 GLN 82 2HE2 GLN 82 5.112 -21.152 4.083 614 H THR 83 H THR 83 0.858 -19.278 5.302 615 HA THR 83 HA THR 83 -0.755 -17.002 5.612 616 HB THR 83 HB THR 83 0.149 -18.800 7.870 617 HG1 THR 83 HG1 THR 83 -1.492 -20.180 7.253 618 HG21 THR 83 3HG2 THR 83 -2.058 -18.272 8.808 619 HG22 THR 83 1HG2 THR 83 -2.392 -17.214 7.437 620 HG23 THR 83 2HG2 THR 83 -1.103 -16.807 8.571 621 H ARG 84 H ARG 84 2.520 -17.636 6.819 622 HA ARG 84 HA ARG 84 2.785 -15.486 8.589 623 HB2 ARG 84 2HB ARG 84 4.819 -16.796 6.772 624 HB3 ARG 84 3HB ARG 84 5.251 -15.564 7.948 625 HG2 ARG 84 2HG ARG 84 3.893 -18.156 8.672 626 HG3 ARG 84 3HG ARG 84 5.643 -17.929 8.672 627 HD2 ARG 84 2HD ARG 84 4.894 -17.628 10.915 628 HD3 ARG 84 3HD ARG 84 5.307 -16.034 10.289 629 HE ARG 84 HE ARG 84 2.514 -16.784 10.090 630 HH11 ARG 84 1HH1 ARG 84 4.932 -15.170 11.928 631 HH12 ARG 84 2HH1 ARG 84 3.785 -14.223 12.808 632 HH21 ARG 84 1HH2 ARG 84 1.051 -15.576 11.235 633 HH22 ARG 84 2HH2 ARG 84 1.612 -14.457 12.429 634 H ASN 85 H ASN 85 3.708 -15.533 5.124 635 HA ASN 85 HA ASN 85 4.163 -12.777 4.860 636 HB2 ASN 85 2HB ASN 85 3.174 -14.741 2.770 637 HB3 ASN 85 3HB ASN 85 3.775 -13.122 2.424 638 HD21 ASN 85 1HD2 ASN 85 5.458 -13.832 1.169 639 HD22 ASN 85 2HD2 ASN 85 6.821 -14.679 1.805 640 H LYS 86 H LYS 86 1.205 -14.681 4.471 641 HA LYS 86 HA LYS 86 -0.468 -12.665 3.494 642 HB2 LYS 86 2HB LYS 86 -1.079 -15.010 3.434 643 HB3 LYS 86 3HB LYS 86 -1.119 -15.085 5.188 644 HG2 LYS 86 2HG LYS 86 -3.119 -13.909 5.324 645 HG3 LYS 86 3HG LYS 86 -2.925 -13.198 3.722 646 HD2 LYS 86 2HD LYS 86 -4.680 -14.956 3.810 647 HD3 LYS 86 3HD LYS 86 -3.391 -15.311 2.662 648 HE2 LYS 86 2HE LYS 86 -2.342 -16.781 4.365 649 HE3 LYS 86 3HE LYS 86 -3.719 -16.482 5.425 650 HZ1 LYS 86 3HZ LYS 86 -3.937 -18.561 4.200 651 HZ2 LYS 86 1HZ LYS 86 -3.870 -17.723 2.733 652 HZ3 LYS 86 2HZ LYS 86 -5.169 -17.480 3.788 653 H PHE 87 H PHE 87 0.380 -13.481 6.845 654 HA PHE 87 HA PHE 87 -1.441 -11.637 8.048 655 HB2 PHE 87 2HB PHE 87 -0.355 -13.602 9.215 656 HB3 PHE 87 3HB PHE 87 1.142 -12.676 9.238 657 HD1 PHE 87 HD2 PHE 87 -2.293 -12.861 10.542 658 HD2 PHE 87 HD1 PHE 87 1.471 -10.884 10.794 659 HE1 PHE 87 HE2 PHE 87 -3.000 -11.782 12.637 660 HE2 PHE 87 HE1 PHE 87 0.768 -9.802 12.885 661 HZ PHE 87 HZ PHE 87 -1.473 -10.249 13.812 662 H ALA 88 H ALA 88 2.084 -11.504 7.485 663 HA ALA 88 HA ALA 88 2.551 -8.871 8.286 664 HB1 ALA 88 3HB ALA 88 4.572 -8.980 6.906 665 HB2 ALA 88 1HB ALA 88 3.949 -10.418 6.097 666 HB3 ALA 88 2HB ALA 88 4.342 -10.474 7.815 667 H PHE 89 H PHE 89 1.326 -10.143 5.271 668 HA PHE 89 HA PHE 89 1.350 -7.753 3.747 669 HB2 PHE 89 2HB PHE 89 1.120 -10.115 2.877 670 HB3 PHE 89 3HB PHE 89 -0.533 -10.113 3.474 671 HD1 PHE 89 HD2 PHE 89 1.770 -8.703 0.978 672 HD2 PHE 89 HD1 PHE 89 -2.272 -8.941 2.304 673 HE1 PHE 89 HE2 PHE 89 1.017 -7.745 -1.158 674 HE2 PHE 89 HE1 PHE 89 -3.029 -7.987 0.165 675 HZ PHE 89 HZ PHE 89 -1.386 -7.390 -1.566 676 H ARG 90 H ARG 90 -1.227 -9.376 5.619 677 HA ARG 90 HA ARG 90 -3.275 -7.518 5.230 678 HB2 ARG 90 2HB ARG 90 -2.681 -9.445 7.462 679 HB3 ARG 90 3HB ARG 90 -4.076 -8.379 7.543 680 HG2 ARG 90 2HG ARG 90 -3.542 -10.384 5.351 681 HG3 ARG 90 3HG ARG 90 -4.649 -10.612 6.707 682 HD2 ARG 90 2HD ARG 90 -4.867 -8.606 4.463 683 HD3 ARG 90 3HD ARG 90 -5.959 -9.943 4.825 684 HE ARG 90 HE ARG 90 -5.690 -7.475 6.407 685 HH11 ARG 90 1HH1 ARG 90 -7.508 -10.251 5.492 686 HH12 ARG 90 2HH1 ARG 90 -8.903 -9.761 6.380 687 HH21 ARG 90 1HH2 ARG 90 -7.454 -6.880 7.567 688 HH22 ARG 90 2HH2 ARG 90 -8.861 -7.890 7.576 689 H GLU 91 H GLU 91 -0.913 -7.637 7.930 690 HA GLU 91 HA GLU 91 -1.893 -5.346 9.250 691 HB2 GLU 91 2HB GLU 91 0.207 -5.321 10.489 692 HB3 GLU 91 3HB GLU 91 -0.397 -6.966 10.346 693 HG2 GLU 91 2HG GLU 91 1.227 -7.520 8.712 694 HG3 GLU 91 3HG GLU 91 1.701 -5.834 8.514 695 H ALA 92 H ALA 92 0.641 -5.705 6.779 696 HA ALA 92 HA ALA 92 1.518 -3.043 6.708 697 HB1 ALA 92 3HB ALA 92 2.351 -3.566 4.454 698 HB2 ALA 92 1HB ALA 92 1.401 -5.053 4.455 699 HB3 ALA 92 2HB ALA 92 2.722 -4.850 5.606 700 H VAL 93 H VAL 93 -1.087 -4.641 4.864 701 HA VAL 93 HA VAL 93 -1.965 -2.392 3.421 702 HB VAL 93 HB VAL 93 -3.569 -4.768 4.408 703 HG11 VAL 93 1HG1 VAL 93 -5.192 -4.189 2.659 704 HG12 VAL 93 2HG1 VAL 93 -4.270 -2.733 2.282 705 HG13 VAL 93 3HG1 VAL 93 -5.052 -2.899 3.854 706 HG21 VAL 93 3HG2 VAL 93 -3.249 -5.633 2.136 707 HG22 VAL 93 1HG2 VAL 93 -1.704 -5.377 2.944 708 HG23 VAL 93 2HG2 VAL 93 -2.268 -4.224 1.733 709 H SER 94 H SER 94 -2.777 -3.520 6.690 710 HA SER 94 HA SER 94 -4.799 -1.658 7.283 711 HB2 SER 94 2HB SER 94 -4.330 -3.569 8.756 712 HB3 SER 94 3HB SER 94 -2.765 -2.878 9.181 713 HG SER 94 HG SER 94 -5.339 -1.806 9.751 714 H LYS 95 H LYS 95 -1.273 -1.428 7.913 715 HA LYS 95 HA LYS 95 -1.243 1.212 8.846 716 HB2 LYS 95 2HB LYS 95 0.818 -0.460 7.432 717 HB3 LYS 95 3HB LYS 95 1.137 1.237 7.746 718 HG2 LYS 95 2HG LYS 95 2.141 -0.018 9.490 719 HG3 LYS 95 3HG LYS 95 0.732 0.796 10.172 720 HD2 LYS 95 2HD LYS 95 -0.549 -1.261 10.054 721 HD3 LYS 95 3HD LYS 95 0.794 -2.086 9.258 722 HE2 LYS 95 2HE LYS 95 0.825 -0.941 12.055 723 HE3 LYS 95 3HE LYS 95 0.668 -2.645 11.641 724 HZ1 LYS 95 3HZ LYS 95 2.928 -2.141 12.248 725 HZ2 LYS 95 1HZ LYS 95 3.022 -0.922 11.080 726 HZ3 LYS 95 2HZ LYS 95 2.868 -2.536 10.605 727 H LEU 96 H LEU 96 -1.222 -0.027 5.528 728 HA LEU 96 HA LEU 96 -0.682 2.377 4.185 729 HB2 LEU 96 2HB LEU 96 -0.597 0.180 3.108 730 HB3 LEU 96 3HB LEU 96 -2.336 0.022 3.269 731 HG LEU 96 HG LEU 96 -2.612 1.994 1.756 732 HD11 LEU 96 1HD1 LEU 96 0.369 1.712 1.374 733 HD12 LEU 96 2HD1 LEU 96 -0.460 3.062 2.150 734 HD13 LEU 96 3HD1 LEU 96 -0.705 2.749 0.433 735 HD21 LEU 96 3HD2 LEU 96 -2.806 -0.252 0.859 736 HD22 LEU 96 1HD2 LEU 96 -1.058 -0.341 0.638 737 HD23 LEU 96 2HD2 LEU 96 -2.010 0.798 -0.313 738 H GLU 97 H GLU 97 -3.880 0.887 4.896 739 HA GLU 97 HA GLU 97 -5.374 3.015 3.773 740 HB2 GLU 97 2HB GLU 97 -7.321 2.025 4.828 741 HB3 GLU 97 3HB GLU 97 -6.313 0.768 4.135 742 HG2 GLU 97 2HG GLU 97 -5.409 0.283 6.373 743 HG3 GLU 97 3HG GLU 97 -6.481 1.507 7.050 744 H LEU 98 H LEU 98 -4.305 2.379 7.097 745 HA LEU 98 HA LEU 98 -5.575 4.572 8.324 746 HB2 LEU 98 2HB LEU 98 -2.983 3.195 9.051 747 HB3 LEU 98 3HB LEU 98 -3.832 4.332 10.085 748 HG LEU 98 HG LEU 98 -4.939 1.675 9.153 749 HD11 LEU 98 1HD1 LEU 98 -3.867 2.489 11.852 750 HD12 LEU 98 2HD1 LEU 98 -3.090 1.389 10.715 751 HD13 LEU 98 3HD1 LEU 98 -4.626 0.946 11.457 752 HD21 LEU 98 3HD2 LEU 98 -6.680 3.359 9.533 753 HD22 LEU 98 1HD2 LEU 98 -6.038 3.661 11.147 754 HD23 LEU 98 2HD2 LEU 98 -6.734 2.089 10.754 755 H SER 99 H SER 99 -2.424 4.307 6.720 756 HA SER 99 HA SER 99 -1.551 6.955 7.258 757 HB2 SER 99 2HB SER 99 -0.780 5.129 4.960 758 HB3 SER 99 3HB SER 99 0.083 6.589 5.440 759 HG SER 99 HG SER 99 -0.361 4.520 7.307 760 H LEU 100 H LEU 100 -3.543 5.560 4.701 761 HA LEU 100 HA LEU 100 -3.640 7.896 3.074 762 HB2 LEU 100 2HB LEU 100 -5.475 5.506 3.265 763 HB3 LEU 100 3HB LEU 100 -5.677 6.782 2.080 764 HG LEU 100 HG LEU 100 -3.218 5.032 2.306 765 HD11 LEU 100 1HD1 LEU 100 -5.166 3.731 1.600 766 HD12 LEU 100 2HD1 LEU 100 -4.013 3.931 0.281 767 HD13 LEU 100 3HD1 LEU 100 -5.487 4.900 0.318 768 HD21 LEU 100 3HD2 LEU 100 -4.054 7.022 0.192 769 HD22 LEU 100 1HD2 LEU 100 -2.627 5.984 0.132 770 HD23 LEU 100 2HD2 LEU 100 -2.754 7.238 1.366 771 H GLN 101 H GLN 101 -5.740 6.689 5.699 772 HA GLN 101 HA GLN 101 -7.737 8.692 5.339 773 HB2 GLN 101 2HB GLN 101 -8.708 7.929 7.403 774 HB3 GLN 101 3HB GLN 101 -8.174 6.533 6.480 775 HG2 GLN 101 2HG GLN 101 -6.241 6.276 7.897 776 HG3 GLN 101 3HG GLN 101 -6.639 7.755 8.769 777 HE21 GLN 101 1HE2 GLN 101 -6.787 6.702 10.739 778 HE22 GLN 101 2HE2 GLN 101 -8.085 5.629 11.129 779 H GLU 102 H GLU 102 -4.829 8.539 7.369 780 HA GLU 102 HA GLU 102 -5.426 11.002 8.724 781 HB2 GLU 102 2HB GLU 102 -3.107 10.877 9.573 782 HB3 GLU 102 3HB GLU 102 -3.995 9.382 9.825 783 HG2 GLU 102 2HG GLU 102 -2.876 8.401 7.876 784 HG3 GLU 102 3HG GLU 102 -1.966 9.893 7.658 785 H LEU 103 H LEU 103 -3.661 10.145 5.793 786 HA LEU 103 HA LEU 103 -2.370 12.617 5.371 787 HB2 LEU 103 2HB LEU 103 -1.786 10.594 4.123 788 HB3 LEU 103 3HB LEU 103 -3.353 10.611 3.336 789 HG LEU 103 HG LEU 103 -2.766 12.766 2.251 790 HD11 LEU 103 1HD1 LEU 103 -0.062 12.321 3.524 791 HD12 LEU 103 2HD1 LEU 103 -1.186 13.634 3.876 792 HD13 LEU 103 3HD1 LEU 103 -0.424 13.527 2.291 793 HD21 LEU 103 3HD2 LEU 103 -2.406 10.672 1.061 794 HD22 LEU 103 1HD2 LEU 103 -0.795 10.529 1.767 795 HD23 LEU 103 2HD2 LEU 103 -1.157 11.846 0.650 796 H GLN 104 H GLN 104 -5.468 11.428 4.039 797 HA GLN 104 HA GLN 104 -6.027 13.677 2.473 798 HB2 GLN 104 2HB GLN 104 -8.353 12.831 2.414 799 HB3 GLN 104 3HB GLN 104 -7.154 11.583 2.101 800 HG2 GLN 104 2HG GLN 104 -7.378 10.922 4.530 801 HG3 GLN 104 3HG GLN 104 -8.767 12.007 4.607 802 HE21 GLN 104 1HE2 GLN 104 -7.522 9.042 3.297 803 HE22 GLN 104 2HE2 GLN 104 -9.039 8.400 2.775 804 H VAL 105 H VAL 105 -6.399 13.290 5.907 805 HA VAL 105 HA VAL 105 -8.029 15.733 6.065 806 HB VAL 105 HB VAL 105 -8.282 15.251 8.457 807 HG11 VAL 105 1HG1 VAL 105 -9.655 13.233 8.253 808 HG12 VAL 105 2HG1 VAL 105 -8.893 12.866 6.704 809 HG13 VAL 105 3HG1 VAL 105 -9.891 14.310 6.877 810 HG21 VAL 105 3HG2 VAL 105 -6.601 12.801 7.893 811 HG22 VAL 105 1HG2 VAL 105 -7.467 13.123 9.395 812 HG23 VAL 105 2HG2 VAL 105 -6.142 14.176 8.900 813 H SER 106 H SER 106 -4.797 14.559 6.752 814 HA SER 106 HA SER 106 -4.064 17.124 8.006 815 HB2 SER 106 2HB SER 106 -2.543 14.502 7.880 816 HB3 SER 106 3HB SER 106 -1.947 15.968 8.654 817 HG SER 106 HG SER 106 -2.947 14.447 10.104 818 H SER 107 H SER 107 -4.423 16.493 5.013 819 HA SER 107 HA SER 107 -2.029 16.333 3.643 820 HB2 SER 107 2HB SER 107 -3.183 17.360 1.738 821 HB3 SER 107 3HB SER 107 -4.249 16.216 2.557 822 HG SER 107 HG SER 107 -5.181 18.323 2.000 823 H ALA 108 H ALA 108 -3.720 19.361 4.547 824 HA ALA 108 HA ALA 108 -3.000 21.513 4.801 825 HB1 ALA 108 3HB ALA 108 -0.810 21.854 5.816 826 HB2 ALA 108 1HB ALA 108 -0.343 20.206 5.393 827 HB3 ALA 108 2HB ALA 108 -1.634 20.485 6.563 828 H ALA 109 H ALA 109 -2.686 20.126 2.136 829 HA ALA 109 HA ALA 109 -1.375 22.239 0.727 830 HB1 ALA 109 3HB ALA 109 0.436 20.946 -0.276 831 HB2 ALA 109 1HB ALA 109 -0.011 19.540 0.693 832 HB3 ALA 109 2HB ALA 109 0.608 20.993 1.479 833 H ALA 110 H ALA 110 -1.441 21.925 -1.633 834 HA ALA 110 HA ALA 110 -3.606 20.140 -2.488 835 HB1 ALA 110 3HB ALA 110 -2.187 22.304 -4.054 836 HB2 ALA 110 1HB ALA 110 -3.682 22.530 -3.142 837 HB3 ALA 110 2HB ALA 110 -3.651 21.443 -4.531 838 H GLY 111 H GLY 111 -0.156 20.633 -2.834 839 HA2 GLY 111 2HA GLY 111 0.318 17.965 -3.652 840 HA3 GLY 111 3HA GLY 111 0.396 19.023 -5.053 841 H VAL 112 H VAL 112 1.690 18.706 -1.750 842 HA VAL 112 HA VAL 112 4.294 19.690 -2.750 843 HB VAL 112 HB VAL 112 3.075 20.322 -0.043 844 HG11 VAL 112 1HG1 VAL 112 5.502 20.059 0.085 845 HG12 VAL 112 2HG1 VAL 112 5.037 21.746 0.307 846 HG13 VAL 112 3HG1 VAL 112 5.706 21.212 -1.235 847 HG21 VAL 112 3HG2 VAL 112 3.611 22.146 -2.398 848 HG22 VAL 112 1HG2 VAL 112 3.004 22.648 -0.819 849 HG23 VAL 112 2HG2 VAL 112 2.026 21.601 -1.849 850 HA PRO 113 HA PRO 113 5.563 15.811 -0.826 851 HB2 PRO 113 2HB PRO 113 8.084 15.749 -1.722 852 HB3 PRO 113 3HB PRO 113 6.718 15.531 -2.823 853 HG2 PRO 113 2HG PRO 113 8.377 17.980 -2.328 854 HG3 PRO 113 3HG PRO 113 7.800 17.313 -3.866 855 HD2 PRO 113 2HD PRO 113 6.576 19.393 -2.522 856 HD3 PRO 113 3HD PRO 113 5.750 18.325 -3.672 857 H GLY 114 H GLY 114 6.869 15.116 0.927 858 HA2 GLY 114 2HA GLY 114 8.330 15.247 2.711 859 HA3 GLY 114 3HA GLY 114 8.954 16.740 2.042 860 H THR 115 H THR 115 6.149 17.918 2.140 861 HA THR 115 HA THR 115 6.489 19.405 4.460 862 HB THR 115 HB THR 115 5.140 20.258 2.654 863 HG1 THR 115 HG1 THR 115 4.127 21.387 4.122 864 HG21 THR 115 3HG2 THR 115 2.875 19.402 2.198 865 HG22 THR 115 1HG2 THR 115 3.139 18.098 3.356 866 HG23 THR 115 2HG2 THR 115 4.108 18.180 1.884 867 H ASN 116 H ASN 116 4.801 16.344 4.131 868 HA ASN 116 HA ASN 116 4.101 16.499 6.994 869 HB2 ASN 116 2HB ASN 116 2.438 15.364 4.745 870 HB3 ASN 116 3HB ASN 116 2.136 14.985 6.439 871 HD21 ASN 116 1HD2 ASN 116 1.837 17.327 3.957 872 HD22 ASN 116 2HD2 ASN 116 0.944 18.488 4.868 873 HA PRO 117 HA PRO 117 6.453 12.735 7.469 874 HB2 PRO 117 2HB PRO 117 5.253 11.822 9.765 875 HB3 PRO 117 3HB PRO 117 6.463 13.111 9.736 876 HG2 PRO 117 2HG PRO 117 3.468 13.328 9.831 877 HG3 PRO 117 3HG PRO 117 4.685 14.216 10.772 878 HD2 PRO 117 2HD PRO 117 3.500 15.332 8.642 879 HD3 PRO 117 3HD PRO 117 5.216 15.624 8.997 880 H VAL 118 H VAL 118 2.956 12.796 7.389 881 HA VAL 118 HA VAL 118 2.339 10.085 7.340 882 HB VAL 118 HB VAL 118 0.952 12.243 5.726 883 HG11 VAL 118 1HG1 VAL 118 -1.031 10.797 5.977 884 HG12 VAL 118 2HG1 VAL 118 -0.031 9.581 6.770 885 HG13 VAL 118 3HG1 VAL 118 0.266 10.003 5.083 886 HG21 VAL 118 3HG2 VAL 118 0.505 11.386 8.592 887 HG22 VAL 118 1HG2 VAL 118 -0.517 12.505 7.690 888 HG23 VAL 118 2HG2 VAL 118 1.156 12.934 8.052 889 H LEU 119 H LEU 119 3.528 12.166 4.753 890 HA LEU 119 HA LEU 119 3.170 10.445 2.568 891 HB2 LEU 119 2HB LEU 119 5.392 12.444 3.053 892 HB3 LEU 119 3HB LEU 119 4.975 11.747 1.496 893 HG LEU 119 HG LEU 119 3.173 13.532 3.149 894 HD11 LEU 119 1HD1 LEU 119 4.701 14.130 0.615 895 HD12 LEU 119 2HD1 LEU 119 5.078 14.750 2.223 896 HD13 LEU 119 3HD1 LEU 119 3.572 15.215 1.431 897 HD21 LEU 119 3HD2 LEU 119 1.913 11.922 1.810 898 HD22 LEU 119 1HD2 LEU 119 2.807 12.406 0.368 899 HD23 LEU 119 2HD2 LEU 119 1.733 13.555 1.169 900 H ASN 120 H ASN 120 5.728 10.609 4.987 901 HA ASN 120 HA ASN 120 7.365 8.576 3.806 902 HB2 ASN 120 2HB ASN 120 7.320 9.558 6.673 903 HB3 ASN 120 3HB ASN 120 8.616 8.647 5.903 904 HD21 ASN 120 1HD2 ASN 120 8.734 11.246 7.157 905 HD22 ASN 120 2HD2 ASN 120 9.296 12.343 5.947 906 H ASN 121 H ASN 121 4.808 8.620 6.273 907 HA ASN 121 HA ASN 121 4.915 5.959 7.105 908 HB2 ASN 121 2HB ASN 121 2.494 7.733 6.706 909 HB3 ASN 121 3HB ASN 121 2.437 6.162 7.499 910 HD21 ASN 121 1HD2 ASN 121 1.731 8.685 8.631 911 HD22 ASN 121 2HD2 ASN 121 2.784 8.931 9.978 912 H LEU 122 H LEU 122 3.015 7.326 4.403 913 HA LEU 122 HA LEU 122 2.073 4.938 3.322 914 HB2 LEU 122 2HB LEU 122 2.745 7.588 2.065 915 HB3 LEU 122 3HB LEU 122 2.158 6.252 1.092 916 HG LEU 122 HG LEU 122 0.662 7.512 3.404 917 HD11 LEU 122 1HD1 LEU 122 0.199 7.720 0.424 918 HD12 LEU 122 2HD1 LEU 122 0.793 9.005 1.477 919 HD13 LEU 122 3HD1 LEU 122 -0.844 8.383 1.683 920 HD21 LEU 122 3HD2 LEU 122 -1.208 6.127 2.697 921 HD22 LEU 122 1HD2 LEU 122 0.175 5.118 3.117 922 HD23 LEU 122 2HD2 LEU 122 -0.222 5.407 1.423 923 H LEU 123 H LEU 123 5.090 6.668 2.506 924 HA LEU 123 HA LEU 123 6.056 4.943 0.555 925 HB2 LEU 123 2HB LEU 123 7.042 7.134 1.166 926 HB3 LEU 123 3HB LEU 123 7.682 6.418 2.633 927 HG LEU 123 HG LEU 123 9.099 4.913 1.276 928 HD11 LEU 123 1HD1 LEU 123 9.331 5.284 -1.129 929 HD12 LEU 123 2HD1 LEU 123 8.016 6.458 -1.082 930 HD13 LEU 123 3HD1 LEU 123 7.700 4.762 -0.713 931 HD21 LEU 123 3HD2 LEU 123 9.415 7.843 0.596 932 HD22 LEU 123 1HD2 LEU 123 10.674 6.612 0.482 933 HD23 LEU 123 2HD2 LEU 123 10.006 7.046 2.054 934 H SER 124 H SER 124 6.485 4.726 4.081 935 HA SER 124 HA SER 124 8.081 2.379 4.085 936 HB2 SER 124 2HB SER 124 7.906 3.896 6.034 937 HB3 SER 124 3HB SER 124 6.226 3.412 6.254 938 HG SER 124 HG SER 124 7.186 1.181 6.401 939 H CYS 125 H CYS 125 4.568 2.853 4.479 940 HA CYS 125 HA CYS 125 3.821 0.188 4.864 941 HB2 CYS 125 2HB CYS 125 2.255 2.364 3.448 942 HB3 CYS 125 3HB CYS 125 1.580 0.872 4.093 943 HG CYS 125 HG CYS 125 1.254 3.465 5.600 944 H VAL 126 H VAL 126 4.167 2.000 1.824 945 HA VAL 126 HA VAL 126 3.294 -0.024 0.075 946 HB VAL 126 HB VAL 126 5.255 2.223 -0.459 947 HG11 VAL 126 1HG1 VAL 126 3.684 0.523 -2.407 948 HG12 VAL 126 2HG1 VAL 126 5.434 0.499 -2.177 949 HG13 VAL 126 3HG1 VAL 126 4.649 1.938 -2.829 950 HG21 VAL 126 3HG2 VAL 126 2.270 2.078 -0.924 951 HG22 VAL 126 1HG2 VAL 126 3.322 3.431 -1.342 952 HG23 VAL 126 2HG2 VAL 126 3.070 2.998 0.350 953 H GLN 127 H GLN 127 6.643 0.899 0.963 954 HA GLN 127 HA GLN 127 7.965 -1.088 -0.488 955 HB2 GLN 127 2HB GLN 127 8.773 0.264 2.099 956 HB3 GLN 127 3HB GLN 127 9.838 -0.774 1.162 957 HG2 GLN 127 2HG GLN 127 9.573 0.775 -0.762 958 HG3 GLN 127 3HG GLN 127 8.641 1.848 0.282 959 HE21 GLN 127 1HE2 GLN 127 10.151 3.501 0.051 960 HE22 GLN 127 2HE2 GLN 127 11.697 3.457 0.815 961 H GLU 128 H GLU 128 6.433 -1.260 2.683 962 HA GLU 128 HA GLU 128 7.483 -3.786 3.433 963 HB2 GLU 128 2HB GLU 128 6.348 -2.134 4.965 964 HB3 GLU 128 3HB GLU 128 4.813 -2.615 4.255 965 HG2 GLU 128 2HG GLU 128 5.097 -3.773 6.332 966 HG3 GLU 128 3HG GLU 128 5.243 -4.939 5.020 967 H ILE 129 H ILE 129 4.320 -2.896 2.032 968 HA ILE 129 HA ILE 129 3.227 -5.434 1.747 969 HB ILE 129 HB ILE 129 2.847 -3.032 -0.057 970 HG12 ILE 129 2HG1 ILE 129 1.221 -4.022 2.303 971 HG13 ILE 129 3HG1 ILE 129 2.292 -2.626 2.314 972 HG21 ILE 129 1HG2 ILE 129 2.106 -5.062 -1.190 973 HG22 ILE 129 2HG2 ILE 129 0.722 -4.075 -0.724 974 HG23 ILE 129 3HG2 ILE 129 1.134 -5.510 0.214 975 HD11 ILE 129 3HD1 ILE 129 -0.211 -2.924 0.668 976 HD12 ILE 129 1HD1 ILE 129 0.868 -1.527 0.660 977 HD13 ILE 129 2HD1 ILE 129 -0.022 -1.948 2.123 978 H SER 130 H SER 130 5.129 -3.617 -0.679 979 HA SER 130 HA SER 130 5.045 -5.615 -2.681 980 HB2 SER 130 2HB SER 130 6.883 -4.366 -3.747 981 HB3 SER 130 3HB SER 130 5.621 -3.275 -3.178 982 HG SER 130 HG SER 130 8.174 -3.170 -2.611 983 H ASP 131 H ASP 131 7.304 -5.037 -0.031 984 HA ASP 131 HA ASP 131 9.283 -6.898 -0.870 985 HB2 ASP 131 2HB ASP 131 9.744 -5.050 0.676 986 HB3 ASP 131 3HB ASP 131 8.695 -5.785 1.880 987 H VAL 132 H VAL 132 6.469 -7.182 1.283 988 HA VAL 132 HA VAL 132 6.945 -9.710 2.364 989 HB VAL 132 HB VAL 132 4.290 -8.447 1.625 990 HG11 VAL 132 1HG1 VAL 132 4.825 -10.824 3.424 991 HG12 VAL 132 2HG1 VAL 132 4.024 -10.869 1.854 992 HG13 VAL 132 3HG1 VAL 132 3.264 -10.029 3.205 993 HG21 VAL 132 3HG2 VAL 132 5.583 -7.144 3.234 994 HG22 VAL 132 1HG2 VAL 132 5.775 -8.566 4.258 995 HG23 VAL 132 2HG2 VAL 132 4.175 -7.865 4.010 996 H VAL 133 H VAL 133 5.570 -8.841 -0.770 997 HA VAL 133 HA VAL 133 4.786 -11.485 -1.510 998 HB VAL 133 HB VAL 133 5.386 -9.154 -3.350 999 HG11 VAL 133 1HG1 VAL 133 3.800 -10.242 -4.878 1000 HG12 VAL 133 2HG1 VAL 133 3.631 -11.586 -3.747 1001 HG13 VAL 133 3HG1 VAL 133 5.182 -11.279 -4.531 1002 HG21 VAL 133 3HG2 VAL 133 3.801 -8.467 -1.636 1003 HG22 VAL 133 1HG2 VAL 133 2.796 -9.876 -1.971 1004 HG23 VAL 133 2HG2 VAL 133 2.990 -8.620 -3.194 1005 H GLN 134 H GLN 134 7.834 -9.934 -1.408 1006 HA GLN 134 HA GLN 134 9.038 -11.637 -3.475 1007 HB2 GLN 134 2HB GLN 134 10.335 -9.464 -1.805 1008 HB3 GLN 134 3HB GLN 134 10.991 -10.213 -3.258 1009 HG2 GLN 134 2HG GLN 134 9.270 -9.210 -4.612 1010 HG3 GLN 134 3HG GLN 134 8.463 -8.574 -3.182 1011 HE21 GLN 134 1HE2 GLN 134 8.598 -6.468 -3.804 1012 HE22 GLN 134 2HE2 GLN 134 10.078 -5.586 -3.861 1013 H ARG 135 H ARG 135 8.167 -12.382 -0.554 1014 HA ARG 135 HA ARG 135 10.743 -13.417 0.434 1015 HB2 ARG 135 2HB ARG 135 8.077 -13.221 1.854 1016 HB3 ARG 135 3HB ARG 135 9.593 -13.749 2.576 1017 HG2 ARG 135 2HG ARG 135 10.561 -11.551 2.199 1018 HG3 ARG 135 3HG ARG 135 9.070 -11.012 1.425 1019 HD2 ARG 135 2HD ARG 135 7.864 -11.433 3.550 1020 HD3 ARG 135 3HD ARG 135 9.403 -11.864 4.304 1021 HE ARG 135 HE ARG 135 9.918 -9.418 3.321 1022 HH11 ARG 135 1HH1 ARG 135 7.320 -10.601 5.259 1023 HH12 ARG 135 2HH1 ARG 135 7.062 -9.069 6.021 1024 HH21 ARG 135 1HH2 ARG 135 9.562 -7.481 4.282 1025 HH22 ARG 135 2HH2 ARG 135 8.301 -7.308 5.455 Start of MODEL 19 1 H1 MET 1 1H MET 1 -44.405 -27.127 -10.203 2 H2 MET 1 2H MET 1 -42.910 -27.630 -10.810 3 H3 MET 1 3H MET 1 -43.807 -26.463 -11.643 4 HA MET 1 HA MET 1 -42.008 -25.408 -10.493 5 HB2 MET 1 2HB MET 1 -44.144 -24.205 -10.711 6 HB3 MET 1 3HB MET 1 -44.688 -24.880 -9.183 7 HG2 MET 1 2HG MET 1 -42.983 -23.667 -7.984 8 HG3 MET 1 3HG MET 1 -42.289 -23.080 -9.495 9 HE1 MET 1 3HE MET 1 -45.098 -20.693 -10.813 10 HE2 MET 1 1HE MET 1 -44.855 -22.391 -11.212 11 HE3 MET 1 2HE MET 1 -43.470 -21.309 -11.084 12 H GLY 2 H GLY 2 -40.511 -26.433 -9.259 13 HA2 GLY 2 2HA GLY 2 -41.206 -26.870 -6.413 14 HA3 GLY 2 3HA GLY 2 -40.343 -28.104 -7.315 15 H HIS 3 H HIS 3 -40.140 -24.905 -5.899 16 HA HIS 3 HA HIS 3 -37.248 -25.211 -5.620 17 HB2 HIS 3 2HB HIS 3 -38.523 -22.825 -6.985 18 HB3 HIS 3 3HB HIS 3 -36.887 -22.805 -6.336 19 HD1 HIS 3 HD1 HIS 3 -35.207 -24.591 -7.457 20 HD2 HIS 3 HD2 HIS 3 -38.718 -23.811 -9.535 21 HE1 HIS 3 HE1 HIS 3 -34.810 -25.430 -9.782 22 HE2 HIS 3 HE2 HIS 3 -36.862 -24.764 -11.066 23 H HIS 4 H HIS 4 -36.901 -24.990 -3.504 24 HA HIS 4 HA HIS 4 -38.689 -23.693 -1.725 25 HB2 HIS 4 2HB HIS 4 -35.873 -24.723 -1.358 26 HB3 HIS 4 3HB HIS 4 -36.816 -24.030 -0.044 27 HD1 HIS 4 HD1 HIS 4 -36.194 -27.166 -1.783 28 HD2 HIS 4 HD2 HIS 4 -39.264 -25.543 0.495 29 HE1 HIS 4 HE1 HIS 4 -37.600 -29.113 -1.070 30 HE2 HIS 4 HE2 HIS 4 -39.375 -28.125 0.409 31 H HIS 5 H HIS 5 -38.311 -21.861 -0.369 32 HA HIS 5 HA HIS 5 -37.482 -19.565 -1.758 33 HB2 HIS 5 2HB HIS 5 -37.952 -18.336 0.280 34 HB3 HIS 5 3HB HIS 5 -39.188 -19.561 0.033 35 HD1 HIS 5 HD1 HIS 5 -36.883 -18.288 2.522 36 HD2 HIS 5 HD2 HIS 5 -38.794 -21.902 1.792 37 HE1 HIS 5 HE1 HIS 5 -36.750 -19.561 4.675 38 HE2 HIS 5 HE2 HIS 5 -37.710 -21.819 4.145 39 H HIS 6 H HIS 6 -35.468 -19.038 -2.270 40 HA HIS 6 HA HIS 6 -33.210 -19.850 -0.651 41 HB2 HIS 6 2HB HIS 6 -33.438 -18.379 -3.278 42 HB3 HIS 6 3HB HIS 6 -31.894 -18.657 -2.473 43 HD1 HIS 6 HD1 HIS 6 -34.782 -20.612 -3.957 44 HD2 HIS 6 HD2 HIS 6 -30.798 -21.128 -2.902 45 HE1 HIS 6 HE1 HIS 6 -34.155 -22.888 -4.802 46 HE2 HIS 6 HE2 HIS 6 -31.836 -23.271 -3.911 47 H HIS 7 H HIS 7 -35.311 -17.287 -0.446 48 HA HIS 7 HA HIS 7 -33.563 -15.166 0.244 49 HB2 HIS 7 2HB HIS 7 -36.379 -15.743 1.189 50 HB3 HIS 7 3HB HIS 7 -35.514 -14.247 1.515 51 HD1 HIS 7 HD1 HIS 7 -38.031 -15.382 -0.594 52 HD2 HIS 7 HD2 HIS 7 -34.564 -13.194 -1.269 53 HE1 HIS 7 HE1 HIS 7 -38.437 -14.122 -2.724 54 HE2 HIS 7 HE2 HIS 7 -36.402 -12.682 -3.021 55 H HIS 8 H HIS 8 -31.893 -15.993 1.515 56 HA HIS 8 HA HIS 8 -32.620 -16.316 4.350 57 HB2 HIS 8 2HB HIS 8 -30.710 -17.954 4.576 58 HB3 HIS 8 3HB HIS 8 -32.105 -18.546 3.688 59 HD1 HIS 8 HD1 HIS 8 -28.698 -17.006 2.883 60 HD2 HIS 8 HD2 HIS 8 -31.446 -19.723 1.355 61 HE1 HIS 8 HE1 HIS 8 -27.613 -17.990 0.845 62 HE2 HIS 8 HE2 HIS 8 -29.312 -19.590 -0.093 63 H SER 9 H SER 9 -31.387 -15.212 5.776 64 HA SER 9 HA SER 9 -29.975 -13.641 6.597 65 HB2 SER 9 2HB SER 9 -28.212 -14.382 4.243 66 HB3 SER 9 3HB SER 9 -27.719 -13.352 5.587 67 HG SER 9 HG SER 9 -27.755 -16.034 5.435 68 H HIS 10 H HIS 10 -31.994 -13.117 4.390 69 HA HIS 10 HA HIS 10 -31.563 -10.287 4.290 70 HB2 HIS 10 2HB HIS 10 -30.182 -11.006 2.346 71 HB3 HIS 10 3HB HIS 10 -31.605 -11.767 1.639 72 HD1 HIS 10 HD1 HIS 10 -33.657 -9.990 1.165 73 HD2 HIS 10 HD2 HIS 10 -29.846 -8.398 1.630 74 HE1 HIS 10 HE1 HIS 10 -33.758 -7.705 0.144 75 HE2 HIS 10 HE2 HIS 10 -31.496 -6.707 0.574 76 H MET 11 H MET 11 -33.515 -9.424 4.618 77 HA MET 11 HA MET 11 -35.888 -10.871 4.748 78 HB2 MET 11 2HB MET 11 -37.021 -8.625 4.808 79 HB3 MET 11 3HB MET 11 -35.716 -8.833 5.964 80 HG2 MET 11 2HG MET 11 -34.219 -7.565 4.507 81 HG3 MET 11 3HG MET 11 -35.529 -7.360 3.344 82 HE1 MET 11 3HE MET 11 -35.570 -5.553 7.596 83 HE2 MET 11 1HE MET 11 -34.263 -6.558 6.970 84 HE3 MET 11 2HE MET 11 -35.848 -7.266 7.282 85 H ALA 12 H ALA 12 -37.868 -10.718 3.503 86 HA ALA 12 HA ALA 12 -37.356 -10.421 0.599 87 HB1 ALA 12 3HB ALA 12 -38.947 -12.591 1.968 88 HB2 ALA 12 1HB ALA 12 -37.335 -12.770 1.273 89 HB3 ALA 12 2HB ALA 12 -38.713 -12.418 0.227 90 H ASN 13 H ASN 13 -38.700 -8.510 2.444 91 HA ASN 13 HA ASN 13 -41.528 -8.657 1.818 92 HB2 ASN 13 2HB ASN 13 -39.993 -6.315 2.976 93 HB3 ASN 13 3HB ASN 13 -41.734 -6.574 3.036 94 HD21 ASN 13 1HD2 ASN 13 -38.664 -7.444 4.356 95 HD22 ASN 13 2HD2 ASN 13 -39.267 -8.343 5.705 96 H GLY 14 H GLY 14 -40.599 -8.837 -0.576 97 HA2 GLY 14 2HA GLY 14 -41.106 -7.692 -2.614 98 HA3 GLY 14 3HA GLY 14 -40.792 -6.164 -1.807 99 H ALA 15 H ALA 15 -38.943 -9.187 -2.287 100 HA ALA 15 HA ALA 15 -36.840 -7.656 -3.652 101 HB1 ALA 15 3HB ALA 15 -36.313 -9.453 -1.278 102 HB2 ALA 15 1HB ALA 15 -36.178 -7.694 -1.299 103 HB3 ALA 15 2HB ALA 15 -35.082 -8.675 -2.274 104 H ALA 16 H ALA 16 -36.861 -8.648 -5.596 105 HA ALA 16 HA ALA 16 -37.576 -11.366 -6.004 106 HB1 ALA 16 3HB ALA 16 -37.889 -9.630 -7.712 107 HB2 ALA 16 1HB ALA 16 -36.962 -11.000 -8.328 108 HB3 ALA 16 2HB ALA 16 -36.139 -9.500 -7.895 109 H GLY 17 H GLY 17 -36.395 -13.193 -6.082 110 HA2 GLY 17 2HA GLY 17 -33.708 -13.218 -5.119 111 HA3 GLY 17 3HA GLY 17 -34.608 -14.603 -5.710 112 H THR 18 H THR 18 -35.021 -12.878 -8.238 113 HA THR 18 HA THR 18 -33.293 -14.106 -9.973 114 HB THR 18 HB THR 18 -33.755 -12.244 -11.555 115 HG1 THR 18 HG1 THR 18 -35.300 -10.628 -10.684 116 HG21 THR 18 3HG2 THR 18 -36.168 -12.543 -11.652 117 HG22 THR 18 1HG2 THR 18 -36.165 -13.166 -10.003 118 HG23 THR 18 2HG2 THR 18 -35.363 -14.070 -11.287 119 H LYS 19 H LYS 19 -32.750 -11.074 -8.235 120 HA LYS 19 HA LYS 19 -30.129 -10.884 -9.550 121 HB2 LYS 19 2HB LYS 19 -30.217 -8.452 -9.080 122 HB3 LYS 19 3HB LYS 19 -31.524 -9.009 -10.116 123 HG2 LYS 19 2HG LYS 19 -33.062 -8.981 -8.214 124 HG3 LYS 19 3HG LYS 19 -31.754 -8.440 -7.160 125 HD2 LYS 19 2HD LYS 19 -31.526 -6.393 -8.520 126 HD3 LYS 19 3HD LYS 19 -32.863 -6.938 -9.539 127 HE2 LYS 19 2HE LYS 19 -34.344 -6.921 -7.567 128 HE3 LYS 19 3HE LYS 19 -33.010 -6.323 -6.580 129 HZ1 LYS 19 3HZ LYS 19 -34.243 -4.926 -8.890 130 HZ2 LYS 19 1HZ LYS 19 -32.924 -4.355 -7.999 131 HZ3 LYS 19 2HZ LYS 19 -34.433 -4.523 -7.259 132 H VAL 20 H VAL 20 -31.667 -10.208 -6.358 133 HA VAL 20 HA VAL 20 -29.046 -9.623 -5.264 134 HB VAL 20 HB VAL 20 -30.998 -8.169 -4.775 135 HG11 VAL 20 1HG1 VAL 20 -31.951 -10.501 -3.112 136 HG12 VAL 20 2HG1 VAL 20 -32.714 -9.885 -4.577 137 HG13 VAL 20 3HG1 VAL 20 -32.658 -8.885 -3.124 138 HG21 VAL 20 3HG2 VAL 20 -29.032 -8.125 -3.326 139 HG22 VAL 20 1HG2 VAL 20 -29.714 -9.420 -2.343 140 HG23 VAL 20 2HG2 VAL 20 -30.507 -7.845 -2.400 141 H ALA 21 H ALA 21 -30.834 -12.390 -5.523 142 HA ALA 21 HA ALA 21 -30.365 -13.519 -2.921 143 HB1 ALA 21 3HB ALA 21 -31.211 -15.601 -3.848 144 HB2 ALA 21 1HB ALA 21 -31.124 -14.931 -5.479 145 HB3 ALA 21 2HB ALA 21 -32.251 -14.251 -4.305 146 H LEU 22 H LEU 22 -28.908 -14.060 -6.133 147 HA LEU 22 HA LEU 22 -26.916 -15.862 -5.025 148 HB2 LEU 22 2HB LEU 22 -27.233 -14.835 -7.851 149 HB3 LEU 22 3HB LEU 22 -26.200 -16.160 -7.341 150 HG LEU 22 HG LEU 22 -29.224 -16.135 -7.239 151 HD11 LEU 22 1HD1 LEU 22 -29.062 -17.862 -8.975 152 HD12 LEU 22 2HD1 LEU 22 -27.314 -17.628 -9.035 153 HD13 LEU 22 3HD1 LEU 22 -28.397 -16.318 -9.507 154 HD21 LEU 22 3HD2 LEU 22 -29.000 -18.518 -6.630 155 HD22 LEU 22 1HD2 LEU 22 -28.346 -17.437 -5.400 156 HD23 LEU 22 2HD2 LEU 22 -27.255 -18.300 -6.486 157 H ARG 23 H ARG 23 -27.080 -12.614 -4.947 158 HA ARG 23 HA ARG 23 -24.341 -12.071 -5.818 159 HB2 ARG 23 2HB ARG 23 -26.517 -10.597 -6.214 160 HB3 ARG 23 3HB ARG 23 -26.090 -9.946 -4.643 161 HG2 ARG 23 2HG ARG 23 -24.090 -10.037 -6.885 162 HG3 ARG 23 3HG ARG 23 -25.270 -8.738 -6.763 163 HD2 ARG 23 2HD ARG 23 -23.329 -7.909 -5.731 164 HD3 ARG 23 3HD ARG 23 -24.395 -8.356 -4.405 165 HE ARG 23 HE ARG 23 -22.654 -10.498 -4.995 166 HH11 ARG 23 1HH1 ARG 23 -22.591 -7.328 -3.646 167 HH12 ARG 23 2HH1 ARG 23 -21.276 -7.691 -2.584 168 HH21 ARG 23 1HH2 ARG 23 -20.971 -10.949 -3.626 169 HH22 ARG 23 2HH2 ARG 23 -20.381 -9.719 -2.559 170 H LYS 24 H LYS 24 -23.678 -13.552 -3.965 171 HA LYS 24 HA LYS 24 -22.906 -11.819 -1.712 172 HB2 LYS 24 2HB LYS 24 -23.953 -14.646 -1.528 173 HB3 LYS 24 3HB LYS 24 -23.139 -13.824 -0.202 174 HG2 LYS 24 2HG LYS 24 -25.617 -12.760 -1.540 175 HG3 LYS 24 3HG LYS 24 -25.642 -13.804 -0.123 176 HD2 LYS 24 2HD LYS 24 -24.443 -12.164 1.181 177 HD3 LYS 24 3HD LYS 24 -24.176 -11.159 -0.246 178 HE2 LYS 24 2HE LYS 24 -26.859 -11.781 1.006 179 HE3 LYS 24 3HE LYS 24 -25.971 -10.269 1.174 180 HZ1 LYS 24 3HZ LYS 24 -27.572 -9.936 -0.502 181 HZ2 LYS 24 1HZ LYS 24 -27.188 -11.388 -1.282 182 HZ3 LYS 24 2HZ LYS 24 -26.095 -10.096 -1.312 183 H THR 25 H THR 25 -22.271 -15.139 -2.934 184 HA THR 25 HA THR 25 -19.514 -14.997 -2.020 185 HB THR 25 HB THR 25 -19.342 -17.333 -2.645 186 HG1 THR 25 HG1 THR 25 -20.476 -17.454 -4.564 187 HG21 THR 25 3HG2 THR 25 -22.028 -16.770 -1.371 188 HG22 THR 25 1HG2 THR 25 -20.479 -16.862 -0.529 189 HG23 THR 25 2HG2 THR 25 -21.156 -18.301 -1.295 190 H LYS 26 H LYS 26 -17.869 -16.146 -3.610 191 HA LYS 26 HA LYS 26 -17.628 -14.609 -6.018 192 HB2 LYS 26 2HB LYS 26 -16.088 -17.050 -5.090 193 HB3 LYS 26 3HB LYS 26 -15.666 -16.076 -6.485 194 HG2 LYS 26 2HG LYS 26 -15.467 -14.115 -4.849 195 HG3 LYS 26 3HG LYS 26 -15.509 -15.336 -3.573 196 HD2 LYS 26 2HD LYS 26 -13.567 -16.462 -4.623 197 HD3 LYS 26 3HD LYS 26 -13.514 -15.198 -5.849 198 HE2 LYS 26 2HE LYS 26 -11.862 -14.585 -4.306 199 HE3 LYS 26 3HE LYS 26 -13.235 -13.560 -3.897 200 HZ1 LYS 26 3HZ LYS 26 -12.602 -16.106 -2.515 201 HZ2 LYS 26 1HZ LYS 26 -13.748 -14.955 -2.052 202 HZ3 LYS 26 2HZ LYS 26 -12.098 -14.594 -1.961 203 H GLN 27 H GLN 27 -17.168 -15.860 -8.180 204 HA GLN 27 HA GLN 27 -19.271 -17.901 -8.518 205 HB2 GLN 27 2HB GLN 27 -19.664 -16.976 -10.804 206 HB3 GLN 27 3HB GLN 27 -20.109 -15.898 -9.491 207 HG2 GLN 27 2HG GLN 27 -18.004 -14.649 -9.834 208 HG3 GLN 27 3HG GLN 27 -17.623 -15.707 -11.194 209 HE21 GLN 27 1HE2 GLN 27 -18.047 -12.811 -11.135 210 HE22 GLN 27 2HE2 GLN 27 -19.340 -12.503 -12.234 211 H ALA 28 H ALA 28 -16.409 -16.668 -10.349 212 HA ALA 28 HA ALA 28 -15.305 -19.311 -10.566 213 HB1 ALA 28 3HB ALA 28 -15.477 -19.570 -12.973 214 HB2 ALA 28 1HB ALA 28 -16.371 -18.055 -13.101 215 HB3 ALA 28 2HB ALA 28 -17.088 -19.433 -12.268 216 H ALA 29 H ALA 29 -13.143 -19.208 -10.844 217 HA ALA 29 HA ALA 29 -11.721 -16.843 -10.627 218 HB1 ALA 29 3HB ALA 29 -9.727 -18.145 -11.103 219 HB2 ALA 29 1HB ALA 29 -10.711 -19.442 -11.780 220 HB3 ALA 29 2HB ALA 29 -10.825 -19.052 -10.063 221 H GLU 30 H GLU 30 -12.935 -18.317 -13.530 222 HA GLU 30 HA GLU 30 -11.226 -17.140 -15.447 223 HB2 GLU 30 2HB GLU 30 -14.141 -17.890 -15.762 224 HB3 GLU 30 3HB GLU 30 -12.975 -17.685 -17.063 225 HG2 GLU 30 2HG GLU 30 -11.728 -19.622 -16.282 226 HG3 GLU 30 3HG GLU 30 -12.825 -19.798 -14.912 227 H LYS 31 H LYS 31 -13.922 -15.851 -13.656 228 HA LYS 31 HA LYS 31 -13.917 -13.410 -15.328 229 HB2 LYS 31 2HB LYS 31 -16.006 -14.835 -15.371 230 HB3 LYS 31 3HB LYS 31 -16.223 -14.451 -13.669 231 HG2 LYS 31 2HG LYS 31 -16.407 -12.073 -14.227 232 HG3 LYS 31 3HG LYS 31 -16.180 -12.458 -15.935 233 HD2 LYS 31 2HD LYS 31 -18.224 -13.873 -15.836 234 HD3 LYS 31 3HD LYS 31 -18.466 -13.348 -14.169 235 HE2 LYS 31 2HE LYS 31 -18.442 -11.580 -16.618 236 HE3 LYS 31 3HE LYS 31 -19.860 -12.052 -15.684 237 HZ1 LYS 31 3HZ LYS 31 -17.609 -10.353 -14.766 238 HZ2 LYS 31 1HZ LYS 31 -18.841 -10.919 -13.755 239 HZ3 LYS 31 2HZ LYS 31 -19.210 -9.876 -15.030 240 H ILE 32 H ILE 32 -13.006 -14.574 -12.353 241 HA ILE 32 HA ILE 32 -13.679 -12.163 -10.823 242 HB ILE 32 HB ILE 32 -12.344 -14.741 -9.969 243 HG12 ILE 32 2HG1 ILE 32 -15.092 -13.676 -9.258 244 HG13 ILE 32 3HG1 ILE 32 -14.797 -14.848 -10.539 245 HG21 ILE 32 1HG2 ILE 32 -13.172 -12.365 -8.295 246 HG22 ILE 32 2HG2 ILE 32 -11.521 -12.903 -8.610 247 HG23 ILE 32 3HG2 ILE 32 -12.611 -13.912 -7.662 248 HD11 ILE 32 3HD1 ILE 32 -15.556 -15.933 -8.514 249 HD12 ILE 32 1HD1 ILE 32 -14.207 -15.237 -7.616 250 HD13 ILE 32 2HD1 ILE 32 -13.903 -16.414 -8.895 251 H SER 33 H SER 33 -12.306 -10.485 -10.803 252 HA SER 33 HA SER 33 -9.688 -10.540 -11.851 253 HB2 SER 33 2HB SER 33 -11.017 -8.466 -11.711 254 HB3 SER 33 3HB SER 33 -10.899 -8.507 -9.954 255 HG SER 33 HG SER 33 -8.996 -7.629 -10.101 256 H ALA 34 H ALA 34 -10.871 -10.818 -8.529 257 HA ALA 34 HA ALA 34 -8.601 -10.444 -7.040 258 HB1 ALA 34 3HB ALA 34 -9.591 -11.855 -5.337 259 HB2 ALA 34 1HB ALA 34 -10.674 -12.575 -6.530 260 HB3 ALA 34 2HB ALA 34 -10.834 -10.869 -6.107 261 H ASP 35 H ASP 35 -9.519 -13.489 -8.666 262 HA ASP 35 HA ASP 35 -7.227 -14.919 -7.688 263 HB2 ASP 35 2HB ASP 35 -9.365 -16.042 -8.282 264 HB3 ASP 35 3HB ASP 35 -9.091 -15.629 -9.973 265 H LYS 36 H LYS 36 -7.917 -12.942 -10.452 266 HA LYS 36 HA LYS 36 -5.671 -13.761 -12.044 267 HB2 LYS 36 2HB LYS 36 -7.700 -12.815 -13.052 268 HB3 LYS 36 3HB LYS 36 -7.447 -11.308 -12.194 269 HG2 LYS 36 2HG LYS 36 -5.340 -12.295 -14.074 270 HG3 LYS 36 3HG LYS 36 -6.796 -11.541 -14.718 271 HD2 LYS 36 2HD LYS 36 -6.346 -9.528 -13.392 272 HD3 LYS 36 3HD LYS 36 -4.902 -10.283 -12.719 273 HE2 LYS 36 2HE LYS 36 -5.364 -9.679 -15.644 274 HE3 LYS 36 3HE LYS 36 -4.373 -8.720 -14.547 275 HZ1 LYS 36 3HZ LYS 36 -3.881 -11.553 -15.294 276 HZ2 LYS 36 1HZ LYS 36 -2.925 -10.635 -14.244 277 HZ3 LYS 36 2HZ LYS 36 -3.028 -10.215 -15.876 278 H ILE 37 H ILE 37 -6.257 -11.308 -9.589 279 HA ILE 37 HA ILE 37 -4.019 -9.669 -10.001 280 HB ILE 37 HB ILE 37 -5.257 -10.354 -7.318 281 HG12 ILE 37 2HG1 ILE 37 -7.000 -9.558 -8.796 282 HG13 ILE 37 3HG1 ILE 37 -6.598 -8.270 -7.672 283 HG21 ILE 37 1HG2 ILE 37 -4.401 -8.150 -6.620 284 HG22 ILE 37 2HG2 ILE 37 -3.623 -7.964 -8.192 285 HG23 ILE 37 3HG2 ILE 37 -3.102 -9.244 -7.099 286 HD11 ILE 37 3HD1 ILE 37 -5.235 -7.204 -9.424 287 HD12 ILE 37 1HD1 ILE 37 -6.931 -7.374 -9.876 288 HD13 ILE 37 2HD1 ILE 37 -5.727 -8.475 -10.546 289 H SER 38 H SER 38 -2.009 -10.450 -10.227 290 HA SER 38 HA SER 38 -1.099 -12.602 -8.416 291 HB2 SER 38 2HB SER 38 -0.085 -11.893 -11.186 292 HB3 SER 38 3HB SER 38 0.503 -13.222 -10.184 293 HG SER 38 HG SER 38 -2.184 -12.930 -11.084 294 H LYS 39 H LYS 39 1.463 -12.617 -8.419 295 HA LYS 39 HA LYS 39 2.416 -10.670 -6.762 296 HB2 LYS 39 2HB LYS 39 3.588 -12.742 -7.081 297 HB3 LYS 39 3HB LYS 39 3.892 -12.387 -8.772 298 HG2 LYS 39 2HG LYS 39 5.026 -10.538 -6.721 299 HG3 LYS 39 3HG LYS 39 5.768 -12.127 -6.928 300 HD2 LYS 39 2HD LYS 39 5.974 -11.629 -9.378 301 HD3 LYS 39 3HD LYS 39 5.407 -9.993 -9.041 302 HE2 LYS 39 2HE LYS 39 7.325 -9.651 -7.543 303 HE3 LYS 39 3HE LYS 39 7.892 -11.280 -7.910 304 HZ1 LYS 39 3HZ LYS 39 8.184 -10.656 -10.198 305 HZ2 LYS 39 1HZ LYS 39 9.021 -9.562 -9.219 306 HZ3 LYS 39 2HZ LYS 39 7.546 -9.117 -9.915 307 H GLU 40 H GLU 40 2.965 -10.726 -10.304 308 HA GLU 40 HA GLU 40 4.333 -8.290 -10.462 309 HB2 GLU 40 2HB GLU 40 3.718 -8.290 -12.863 310 HB3 GLU 40 3HB GLU 40 4.341 -9.841 -12.319 311 HG2 GLU 40 2HG GLU 40 2.103 -10.760 -12.240 312 HG3 GLU 40 3HG GLU 40 1.417 -9.191 -12.654 313 H ALA 41 H ALA 41 0.844 -8.921 -10.838 314 HA ALA 41 HA ALA 41 0.027 -6.413 -11.691 315 HB1 ALA 41 3HB ALA 41 -2.202 -7.036 -10.962 316 HB2 ALA 41 1HB ALA 41 -1.536 -8.311 -9.940 317 HB3 ALA 41 2HB ALA 41 -1.393 -8.422 -11.696 318 H LEU 42 H LEU 42 0.375 -7.593 -8.357 319 HA LEU 42 HA LEU 42 -0.628 -5.252 -7.103 320 HB2 LEU 42 2HB LEU 42 -0.471 -7.499 -6.047 321 HB3 LEU 42 3HB LEU 42 1.270 -7.323 -5.978 322 HG LEU 42 HG LEU 42 -0.483 -5.287 -4.628 323 HD11 LEU 42 1HD1 LEU 42 0.352 -7.922 -3.414 324 HD12 LEU 42 2HD1 LEU 42 -1.290 -7.486 -3.890 325 HD13 LEU 42 3HD1 LEU 42 -0.486 -6.603 -2.595 326 HD21 LEU 42 3HD2 LEU 42 1.916 -4.826 -4.778 327 HD22 LEU 42 1HD2 LEU 42 2.275 -6.375 -4.012 328 HD23 LEU 42 2HD2 LEU 42 1.436 -5.112 -3.108 329 H LEU 43 H LEU 43 2.715 -6.352 -7.734 330 HA LEU 43 HA LEU 43 3.981 -4.170 -6.484 331 HB2 LEU 43 2HB LEU 43 5.014 -5.932 -8.707 332 HB3 LEU 43 3HB LEU 43 5.995 -4.835 -7.751 333 HG LEU 43 HG LEU 43 4.602 -7.345 -6.815 334 HD11 LEU 43 1HD1 LEU 43 6.871 -8.041 -6.211 335 HD12 LEU 43 2HD1 LEU 43 7.508 -6.536 -6.877 336 HD13 LEU 43 3HD1 LEU 43 6.723 -7.708 -7.938 337 HD21 LEU 43 3HD2 LEU 43 5.522 -6.845 -4.579 338 HD22 LEU 43 1HD2 LEU 43 4.298 -5.683 -5.088 339 HD23 LEU 43 2HD2 LEU 43 6.006 -5.250 -5.155 340 H GLU 44 H GLU 44 3.088 -4.654 -9.909 341 HA GLU 44 HA GLU 44 4.188 -2.346 -11.005 342 HB2 GLU 44 2HB GLU 44 1.533 -3.624 -11.719 343 HB3 GLU 44 3HB GLU 44 2.413 -2.485 -12.726 344 HG2 GLU 44 2HG GLU 44 3.390 -5.219 -11.918 345 HG3 GLU 44 3HG GLU 44 2.665 -4.809 -13.469 346 H CYS 45 H CYS 45 1.044 -2.756 -9.406 347 HA CYS 45 HA CYS 45 0.196 -0.052 -9.773 348 HB2 CYS 45 2HB CYS 45 -0.794 -2.152 -7.831 349 HB3 CYS 45 3HB CYS 45 -1.610 -0.633 -8.185 350 HG CYS 45 HG CYS 45 -1.563 -3.494 -9.924 351 H ALA 46 H ALA 46 1.620 -1.805 -7.025 352 HA ALA 46 HA ALA 46 1.492 0.299 -5.153 353 HB1 ALA 46 3HB ALA 46 3.143 -0.975 -3.875 354 HB2 ALA 46 1HB ALA 46 3.457 -1.992 -5.281 355 HB3 ALA 46 2HB ALA 46 1.872 -2.024 -4.506 356 H ASP 47 H ASP 47 3.948 -0.563 -7.542 357 HA ASP 47 HA ASP 47 6.004 1.137 -6.736 358 HB2 ASP 47 2HB ASP 47 6.220 -0.631 -8.454 359 HB3 ASP 47 3HB ASP 47 5.265 0.347 -9.565 360 H LEU 48 H LEU 48 3.036 1.858 -8.461 361 HA LEU 48 HA LEU 48 3.639 4.367 -9.521 362 HB2 LEU 48 2HB LEU 48 1.061 3.243 -8.434 363 HB3 LEU 48 3HB LEU 48 1.152 4.835 -9.167 364 HG LEU 48 HG LEU 48 1.860 2.245 -10.565 365 HD11 LEU 48 1HD1 LEU 48 -0.200 2.579 -11.828 366 HD12 LEU 48 2HD1 LEU 48 -0.579 4.004 -10.859 367 HD13 LEU 48 3HD1 LEU 48 -0.538 2.409 -10.105 368 HD21 LEU 48 3HD2 LEU 48 3.137 4.114 -11.431 369 HD22 LEU 48 1HD2 LEU 48 1.673 5.089 -11.573 370 HD23 LEU 48 2HD2 LEU 48 1.887 3.663 -12.589 371 H LEU 49 H LEU 49 2.705 3.496 -6.210 372 HA LEU 49 HA LEU 49 2.581 6.213 -5.298 373 HB2 LEU 49 2HB LEU 49 2.860 3.611 -3.782 374 HB3 LEU 49 3HB LEU 49 2.702 5.175 -3.004 375 HG LEU 49 HG LEU 49 0.483 5.435 -4.202 376 HD11 LEU 49 1HD1 LEU 49 0.795 3.802 -5.964 377 HD12 LEU 49 2HD1 LEU 49 -0.611 3.383 -4.988 378 HD13 LEU 49 3HD1 LEU 49 0.903 2.502 -4.777 379 HD21 LEU 49 3HD2 LEU 49 0.599 4.856 -1.842 380 HD22 LEU 49 1HD2 LEU 49 0.770 3.148 -2.249 381 HD23 LEU 49 2HD2 LEU 49 -0.730 4.000 -2.622 382 H SER 50 H SER 50 5.077 3.703 -5.317 383 HA SER 50 HA SER 50 7.094 5.005 -3.891 384 HB2 SER 50 2HB SER 50 7.322 2.677 -4.649 385 HB3 SER 50 3HB SER 50 7.395 3.213 -6.326 386 HG SER 50 HG SER 50 9.460 3.390 -6.026 387 H SER 51 H SER 51 6.458 5.126 -7.409 388 HA SER 51 HA SER 51 8.377 7.128 -7.990 389 HB2 SER 51 2HB SER 51 7.358 5.674 -9.732 390 HB3 SER 51 3HB SER 51 5.829 6.529 -9.519 391 HG SER 51 HG SER 51 6.650 8.297 -10.470 392 H ALA 52 H ALA 52 4.883 7.335 -7.362 393 HA ALA 52 HA ALA 52 4.574 10.078 -7.810 394 HB1 ALA 52 3HB ALA 52 2.484 9.890 -6.583 395 HB2 ALA 52 1HB ALA 52 2.995 8.338 -5.911 396 HB3 ALA 52 2HB ALA 52 2.704 8.497 -7.646 397 H LEU 53 H LEU 53 6.063 8.466 -5.135 398 HA LEU 53 HA LEU 53 5.963 10.882 -3.479 399 HB2 LEU 53 2HB LEU 53 7.001 8.098 -2.947 400 HB3 LEU 53 3HB LEU 53 7.176 9.424 -1.809 401 HG LEU 53 HG LEU 53 4.519 8.383 -2.820 402 HD11 LEU 53 1HD1 LEU 53 5.930 7.858 -0.205 403 HD12 LEU 53 2HD1 LEU 53 5.609 6.683 -1.482 404 HD13 LEU 53 3HD1 LEU 53 4.270 7.397 -0.586 405 HD21 LEU 53 3HD2 LEU 53 5.182 10.311 -0.586 406 HD22 LEU 53 1HD2 LEU 53 3.572 9.717 -1.002 407 HD23 LEU 53 2HD2 LEU 53 4.457 10.728 -2.141 408 H THR 54 H THR 54 8.099 9.302 -5.687 409 HA THR 54 HA THR 54 10.445 10.784 -4.782 410 HB THR 54 HB THR 54 11.611 9.808 -6.729 411 HG1 THR 54 HG1 THR 54 10.128 7.989 -7.699 412 HG21 THR 54 3HG2 THR 54 11.537 7.460 -6.030 413 HG22 THR 54 1HG2 THR 54 10.039 7.763 -5.150 414 HG23 THR 54 2HG2 THR 54 11.538 8.537 -4.633 415 H GLU 55 H GLU 55 7.875 11.106 -7.085 416 HA GLU 55 HA GLU 55 9.076 13.584 -8.152 417 HB2 GLU 55 2HB GLU 55 7.466 13.425 -9.975 418 HB3 GLU 55 3HB GLU 55 8.356 11.914 -9.840 419 HG2 GLU 55 2HG GLU 55 6.461 10.901 -8.658 420 HG3 GLU 55 3HG GLU 55 5.570 12.414 -8.794 421 HA PRO 56 HA PRO 56 6.152 15.959 -5.759 422 HB2 PRO 56 2HB PRO 56 5.934 17.902 -7.971 423 HB3 PRO 56 3HB PRO 56 6.588 18.123 -6.345 424 HG2 PRO 56 2HG PRO 56 8.181 18.067 -8.512 425 HG3 PRO 56 3HG PRO 56 8.704 17.410 -6.949 426 HD2 PRO 56 2HD PRO 56 7.687 15.955 -9.375 427 HD3 PRO 56 3HD PRO 56 9.038 15.540 -8.296 428 H VAL 57 H VAL 57 4.068 15.420 -5.484 429 HA VAL 57 HA VAL 57 2.150 15.735 -7.683 430 HB VAL 57 HB VAL 57 1.052 13.603 -7.203 431 HG11 VAL 57 1HG1 VAL 57 2.684 12.072 -8.169 432 HG12 VAL 57 2HG1 VAL 57 3.987 13.197 -7.787 433 HG13 VAL 57 3HG1 VAL 57 2.753 13.644 -8.965 434 HG21 VAL 57 3HG2 VAL 57 3.325 13.115 -5.277 435 HG22 VAL 57 1HG2 VAL 57 2.128 11.914 -5.765 436 HG23 VAL 57 2HG2 VAL 57 1.624 13.345 -4.866 437 HA PRO 58 HA PRO 58 -0.498 17.318 -4.419 438 HB2 PRO 58 2HB PRO 58 -2.861 16.150 -5.715 439 HB3 PRO 58 3HB PRO 58 -2.428 17.848 -5.498 440 HG2 PRO 58 2HG PRO 58 -2.385 16.626 -7.912 441 HG3 PRO 58 3HG PRO 58 -1.277 17.943 -7.489 442 HD2 PRO 58 2HD PRO 58 -0.770 14.989 -7.571 443 HD3 PRO 58 3HD PRO 58 0.283 16.329 -8.080 444 H ASN 59 H ASN 59 -1.524 16.639 -2.531 445 HA ASN 59 HA ASN 59 -1.086 14.001 -1.653 446 HB2 ASN 59 2HB ASN 59 -2.965 16.084 -0.501 447 HB3 ASN 59 3HB ASN 59 -2.444 14.620 0.325 448 HD21 ASN 59 1HD2 ASN 59 0.296 14.862 -0.789 449 HD22 ASN 59 2HD2 ASN 59 1.036 16.127 0.114 450 H SER 60 H SER 60 -3.878 15.491 -3.159 451 HA SER 60 HA SER 60 -5.794 13.486 -2.584 452 HB2 SER 60 2HB SER 60 -6.431 15.708 -3.429 453 HB3 SER 60 3HB SER 60 -5.647 15.359 -4.968 454 HG SER 60 HG SER 60 -7.690 13.679 -3.959 455 H GLN 61 H GLN 61 -3.435 13.853 -5.190 456 HA GLN 61 HA GLN 61 -4.259 11.678 -6.788 457 HB2 GLN 61 2HB GLN 61 -2.695 13.414 -7.575 458 HB3 GLN 61 3HB GLN 61 -1.482 12.849 -6.433 459 HG2 GLN 61 2HG GLN 61 -1.414 10.685 -7.600 460 HG3 GLN 61 3HG GLN 61 -2.597 11.285 -8.761 461 HE21 GLN 61 1HE2 GLN 61 0.128 10.340 -9.191 462 HE22 GLN 61 2HE2 GLN 61 0.968 11.639 -9.958 463 H LEU 62 H LEU 62 -1.899 11.896 -4.138 464 HA LEU 62 HA LEU 62 -1.011 9.238 -4.115 465 HB2 LEU 62 2HB LEU 62 -1.366 11.166 -1.815 466 HB3 LEU 62 3HB LEU 62 -0.492 9.649 -1.700 467 HG LEU 62 HG LEU 62 0.262 11.961 -3.502 468 HD11 LEU 62 1HD1 LEU 62 0.576 12.491 -1.132 469 HD12 LEU 62 2HD1 LEU 62 2.120 12.312 -1.965 470 HD13 LEU 62 3HD1 LEU 62 1.523 11.017 -0.925 471 HD21 LEU 62 3HD2 LEU 62 2.340 10.708 -3.863 472 HD22 LEU 62 1HD2 LEU 62 0.934 9.803 -4.424 473 HD23 LEU 62 2HD2 LEU 62 1.706 9.374 -2.898 474 H VAL 63 H VAL 63 -3.660 10.692 -2.204 475 HA VAL 63 HA VAL 63 -4.485 8.311 -0.949 476 HB VAL 63 HB VAL 63 -6.181 10.743 -1.583 477 HG11 VAL 63 1HG1 VAL 63 -7.557 10.020 0.332 478 HG12 VAL 63 2HG1 VAL 63 -6.579 8.558 0.469 479 HG13 VAL 63 3HG1 VAL 63 -7.558 8.832 -0.972 480 HG21 VAL 63 3HG2 VAL 63 -4.525 10.109 0.869 481 HG22 VAL 63 1HG2 VAL 63 -5.603 11.495 0.684 482 HG23 VAL 63 2HG2 VAL 63 -4.172 11.349 -0.337 483 H ASP 64 H ASP 64 -5.630 9.868 -3.933 484 HA ASP 64 HA ASP 64 -7.713 8.103 -4.541 485 HB2 ASP 64 2HB ASP 64 -7.418 10.243 -5.692 486 HB3 ASP 64 3HB ASP 64 -5.931 9.659 -6.433 487 H THR 65 H THR 65 -4.330 8.028 -5.735 488 HA THR 65 HA THR 65 -4.534 5.604 -7.155 489 HB THR 65 HB THR 65 -2.059 6.751 -5.821 490 HG1 THR 65 HG1 THR 65 -3.490 7.717 -7.827 491 HG21 THR 65 3HG2 THR 65 -1.739 4.411 -6.441 492 HG22 THR 65 1HG2 THR 65 -0.819 5.459 -7.523 493 HG23 THR 65 2HG2 THR 65 -2.337 4.743 -8.068 494 H GLY 66 H GLY 66 -3.736 6.254 -3.773 495 HA2 GLY 66 2HA GLY 66 -2.940 3.668 -3.012 496 HA3 GLY 66 3HA GLY 66 -3.594 4.890 -1.937 497 H HIS 67 H HIS 67 -6.162 4.991 -3.486 498 HA HIS 67 HA HIS 67 -7.647 3.185 -1.958 499 HB2 HIS 67 2HB HIS 67 -8.387 4.598 -4.523 500 HB3 HIS 67 3HB HIS 67 -9.533 3.662 -3.570 501 HD1 HIS 67 HD1 HIS 67 -9.372 6.881 -4.157 502 HD2 HIS 67 HD2 HIS 67 -8.663 4.861 -0.598 503 HE1 HIS 67 HE1 HIS 67 -9.748 8.568 -2.341 504 HE2 HIS 67 HE2 HIS 67 -9.544 7.261 -0.206 505 H GLN 68 H GLN 68 -6.800 2.858 -5.456 506 HA GLN 68 HA GLN 68 -8.040 0.346 -5.767 507 HB2 GLN 68 2HB GLN 68 -6.765 0.097 -7.826 508 HB3 GLN 68 3HB GLN 68 -7.414 1.723 -7.690 509 HG2 GLN 68 2HG GLN 68 -5.239 2.573 -7.036 510 HG3 GLN 68 3HG GLN 68 -4.570 0.942 -7.062 511 HE21 GLN 68 1HE2 GLN 68 -6.033 0.171 -9.458 512 HE22 GLN 68 2HE2 GLN 68 -5.259 0.968 -10.776 513 H LEU 69 H LEU 69 -4.910 1.187 -4.440 514 HA LEU 69 HA LEU 69 -3.690 -1.339 -4.539 515 HB2 LEU 69 2HB LEU 69 -3.376 1.079 -2.845 516 HB3 LEU 69 3HB LEU 69 -2.737 -0.413 -2.186 517 HG LEU 69 HG LEU 69 -1.010 0.865 -3.365 518 HD11 LEU 69 1HD1 LEU 69 -0.824 -1.564 -3.285 519 HD12 LEU 69 2HD1 LEU 69 -0.173 -0.937 -4.797 520 HD13 LEU 69 3HD1 LEU 69 -1.762 -1.700 -4.773 521 HD21 LEU 69 3HD2 LEU 69 -2.713 0.448 -5.827 522 HD22 LEU 69 1HD2 LEU 69 -1.087 1.131 -5.794 523 HD23 LEU 69 2HD2 LEU 69 -2.418 1.989 -5.020 524 H LEU 70 H LEU 70 -6.023 -0.016 -2.220 525 HA LEU 70 HA LEU 70 -6.096 -2.232 -0.470 526 HB2 LEU 70 2HB LEU 70 -7.998 -0.013 -1.126 527 HB3 LEU 70 3HB LEU 70 -8.558 -1.343 -0.131 528 HG LEU 70 HG LEU 70 -7.814 0.617 1.191 529 HD11 LEU 70 1HD1 LEU 70 -6.130 -1.857 1.570 530 HD12 LEU 70 2HD1 LEU 70 -7.757 -1.597 2.193 531 HD13 LEU 70 3HD1 LEU 70 -6.421 -0.611 2.785 532 HD21 LEU 70 3HD2 LEU 70 -5.070 -0.015 0.090 533 HD22 LEU 70 1HD2 LEU 70 -5.432 1.150 1.367 534 HD23 LEU 70 2HD2 LEU 70 -6.029 1.422 -0.270 535 H ASP 71 H ASP 71 -7.606 -1.672 -3.586 536 HA ASP 71 HA ASP 71 -9.356 -3.927 -3.539 537 HB2 ASP 71 2HB ASP 71 -9.561 -1.945 -5.081 538 HB3 ASP 71 3HB ASP 71 -8.160 -2.543 -5.962 539 H TYR 72 H TYR 72 -6.231 -3.392 -5.206 540 HA TYR 72 HA TYR 72 -5.849 -6.012 -6.116 541 HB2 TYR 72 2HB TYR 72 -3.894 -3.796 -5.501 542 HB3 TYR 72 3HB TYR 72 -3.364 -5.348 -6.135 543 HD1 TYR 72 HD1 TYR 72 -5.157 -2.236 -6.910 544 HD2 TYR 72 HD2 TYR 72 -3.871 -6.001 -8.423 545 HE1 TYR 72 HE1 TYR 72 -5.637 -1.476 -9.200 546 HE2 TYR 72 HE2 TYR 72 -4.344 -5.251 -10.711 547 HH TYR 72 HH TYR 72 -5.797 -3.587 -11.828 548 H CYS 73 H CYS 73 -4.813 -4.522 -3.060 549 HA CYS 73 HA CYS 73 -3.327 -6.688 -2.070 550 HB2 CYS 73 2HB CYS 73 -4.841 -4.513 -0.611 551 HB3 CYS 73 3HB CYS 73 -3.804 -5.681 0.201 552 HG CYS 73 HG CYS 73 -2.856 -3.238 -1.993 553 H SER 74 H SER 74 -6.761 -5.859 -1.525 554 HA SER 74 HA SER 74 -7.368 -8.098 0.087 555 HB2 SER 74 2HB SER 74 -8.852 -6.168 0.023 556 HB3 SER 74 3HB SER 74 -9.186 -6.442 -1.686 557 HG SER 74 HG SER 74 -10.866 -7.347 -0.583 558 H GLY 75 H GLY 75 -7.518 -7.621 -3.426 559 HA2 GLY 75 2HA GLY 75 -8.699 -10.117 -4.064 560 HA3 GLY 75 3HA GLY 75 -7.755 -9.116 -5.155 561 H TYR 76 H TYR 76 -5.283 -9.132 -3.865 562 HA TYR 76 HA TYR 76 -4.294 -11.651 -4.774 563 HB2 TYR 76 2HB TYR 76 -3.052 -9.491 -5.008 564 HB3 TYR 76 3HB TYR 76 -2.780 -9.501 -3.268 565 HD1 TYR 76 HD2 TYR 76 -2.577 -12.234 -5.801 566 HD2 TYR 76 HD1 TYR 76 -0.486 -9.880 -2.935 567 HE1 TYR 76 HE2 TYR 76 -0.573 -13.599 -6.154 568 HE2 TYR 76 HE1 TYR 76 1.532 -11.247 -3.284 569 HH TYR 76 HH TYR 76 2.147 -13.464 -4.107 570 H VAL 77 H VAL 77 -4.733 -10.222 -1.536 571 HA VAL 77 HA VAL 77 -3.304 -12.161 -0.093 572 HB VAL 77 HB VAL 77 -4.144 -9.980 0.836 573 HG11 VAL 77 1HG1 VAL 77 -6.366 -9.889 1.827 574 HG12 VAL 77 2HG1 VAL 77 -6.739 -11.483 1.170 575 HG13 VAL 77 3HG1 VAL 77 -6.466 -10.121 0.083 576 HG21 VAL 77 3HG2 VAL 77 -4.465 -10.845 3.108 577 HG22 VAL 77 1HG2 VAL 77 -3.159 -11.680 2.270 578 HG23 VAL 77 2HG2 VAL 77 -4.730 -12.461 2.453 579 H ASP 78 H ASP 78 -6.600 -12.166 -1.293 580 HA ASP 78 HA ASP 78 -7.587 -14.464 -0.010 581 HB2 ASP 78 2HB ASP 78 -8.951 -12.830 -1.288 582 HB3 ASP 78 3HB ASP 78 -8.221 -13.399 -2.782 583 H CYS 79 H CYS 79 -5.292 -14.077 -2.565 584 HA CYS 79 HA CYS 79 -5.443 -16.926 -3.307 585 HB2 CYS 79 2HB CYS 79 -4.217 -14.606 -4.814 586 HB3 CYS 79 3HB CYS 79 -4.305 -16.273 -5.382 587 HG CYS 79 HG CYS 79 -6.525 -13.863 -5.654 588 H ILE 80 H ILE 80 -3.600 -15.035 -1.283 589 HA ILE 80 HA ILE 80 -0.963 -15.873 -2.053 590 HB ILE 80 HB ILE 80 -1.950 -14.646 0.529 591 HG12 ILE 80 2HG1 ILE 80 -0.403 -13.498 -1.815 592 HG13 ILE 80 3HG1 ILE 80 -2.076 -13.146 -1.400 593 HG21 ILE 80 1HG2 ILE 80 0.898 -15.203 -0.327 594 HG22 ILE 80 2HG2 ILE 80 0.034 -15.984 0.997 595 HG23 ILE 80 3HG2 ILE 80 0.418 -14.267 1.090 596 HD11 ILE 80 3HD1 ILE 80 -1.317 -12.113 0.698 597 HD12 ILE 80 1HD1 ILE 80 -0.636 -11.332 -0.730 598 HD13 ILE 80 2HD1 ILE 80 0.354 -12.431 0.228 599 HA PRO 81 HA PRO 81 -1.240 -19.953 -0.141 600 HB2 PRO 81 2HB PRO 81 1.522 -20.294 -1.068 601 HB3 PRO 81 3HB PRO 81 0.063 -21.156 -1.561 602 HG2 PRO 81 2HG PRO 81 1.354 -19.427 -3.196 603 HG3 PRO 81 3HG PRO 81 -0.403 -19.671 -3.258 604 HD2 PRO 81 2HD PRO 81 1.161 -17.460 -1.955 605 HD3 PRO 81 3HD PRO 81 -0.325 -17.365 -2.927 606 H GLN 82 H GLN 82 1.741 -17.973 0.155 607 HA GLN 82 HA GLN 82 2.636 -19.329 2.508 608 HB2 GLN 82 2HB GLN 82 3.478 -16.628 1.421 609 HB3 GLN 82 3HB GLN 82 4.306 -17.514 2.692 610 HG2 GLN 82 2HG GLN 82 5.545 -17.864 0.721 611 HG3 GLN 82 3HG GLN 82 4.669 -19.364 1.018 612 HE21 GLN 82 1HE2 GLN 82 4.792 -19.984 -1.149 613 HE22 GLN 82 2HE2 GLN 82 3.875 -19.202 -2.387 614 H THR 83 H THR 83 1.047 -19.288 4.075 615 HA THR 83 HA THR 83 -0.539 -17.129 4.827 616 HB THR 83 HB THR 83 0.419 -19.309 6.697 617 HG1 THR 83 HG1 THR 83 -1.400 -20.458 5.932 618 HG21 THR 83 3HG2 THR 83 -0.746 -17.462 7.826 619 HG22 THR 83 1HG2 THR 83 -1.737 -18.922 7.824 620 HG23 THR 83 2HG2 THR 83 -2.092 -17.615 6.695 621 H ARG 84 H ARG 84 2.720 -17.968 5.929 622 HA ARG 84 HA ARG 84 2.996 -16.184 8.056 623 HB2 ARG 84 2HB ARG 84 5.072 -17.007 6.010 624 HB3 ARG 84 3HB ARG 84 5.431 -16.189 7.526 625 HG2 ARG 84 2HG ARG 84 4.105 -18.892 7.310 626 HG3 ARG 84 3HG ARG 84 5.828 -18.633 7.592 627 HD2 ARG 84 2HD ARG 84 5.278 -17.414 9.671 628 HD3 ARG 84 3HD ARG 84 3.567 -17.744 9.397 629 HE ARG 84 HE ARG 84 4.519 -20.208 9.397 630 HH11 ARG 84 1HH1 ARG 84 5.256 -17.610 11.547 631 HH12 ARG 84 2HH1 ARG 84 5.624 -18.673 12.859 632 HH21 ARG 84 1HH2 ARG 84 4.981 -21.540 11.100 633 HH22 ARG 84 2HH2 ARG 84 5.465 -20.855 12.614 634 H ASN 85 H ASN 85 3.727 -15.592 4.602 635 HA ASN 85 HA ASN 85 4.190 -12.804 4.906 636 HB2 ASN 85 2HB ASN 85 3.392 -14.399 2.453 637 HB3 ASN 85 3HB ASN 85 3.906 -12.715 2.424 638 HD21 ASN 85 1HD2 ASN 85 5.113 -14.942 1.086 639 HD22 ASN 85 2HD2 ASN 85 6.728 -15.065 1.677 640 H LYS 86 H LYS 86 1.318 -14.723 4.277 641 HA LYS 86 HA LYS 86 -0.384 -12.682 3.368 642 HB2 LYS 86 2HB LYS 86 -0.785 -15.115 3.106 643 HB3 LYS 86 3HB LYS 86 -1.122 -15.229 4.826 644 HG2 LYS 86 2HG LYS 86 -3.127 -14.008 4.625 645 HG3 LYS 86 3HG LYS 86 -2.706 -13.433 3.011 646 HD2 LYS 86 2HD LYS 86 -4.401 -15.186 2.883 647 HD3 LYS 86 3HD LYS 86 -2.892 -15.723 2.143 648 HE2 LYS 86 2HE LYS 86 -2.345 -16.892 4.279 649 HE3 LYS 86 3HE LYS 86 -3.949 -16.459 4.872 650 HZ1 LYS 86 3HZ LYS 86 -3.348 -18.158 2.507 651 HZ2 LYS 86 1HZ LYS 86 -4.901 -17.693 2.995 652 HZ3 LYS 86 2HZ LYS 86 -3.961 -18.680 3.994 653 H PHE 87 H PHE 87 0.292 -13.823 6.673 654 HA PHE 87 HA PHE 87 -1.652 -12.182 7.954 655 HB2 PHE 87 2HB PHE 87 -0.404 -14.193 8.947 656 HB3 PHE 87 3HB PHE 87 0.944 -13.088 9.204 657 HD1 PHE 87 HD2 PHE 87 -2.572 -13.771 10.107 658 HD2 PHE 87 HD1 PHE 87 0.964 -11.580 11.041 659 HE1 PHE 87 HE2 PHE 87 -3.573 -13.065 12.241 660 HE2 PHE 87 HE1 PHE 87 -0.034 -10.876 13.176 661 HZ PHE 87 HZ PHE 87 -2.303 -11.619 13.780 662 H ALA 88 H ALA 88 1.874 -11.796 7.554 663 HA ALA 88 HA ALA 88 2.134 -9.207 8.579 664 HB1 ALA 88 3HB ALA 88 3.740 -10.505 6.372 665 HB2 ALA 88 1HB ALA 88 4.042 -10.665 8.102 666 HB3 ALA 88 2HB ALA 88 4.230 -9.097 7.316 667 H PHE 89 H PHE 89 1.150 -10.318 5.406 668 HA PHE 89 HA PHE 89 1.236 -7.885 4.010 669 HB2 PHE 89 2HB PHE 89 0.957 -10.135 2.975 670 HB3 PHE 89 3HB PHE 89 -0.681 -10.202 3.613 671 HD1 PHE 89 HD2 PHE 89 1.538 -8.521 1.205 672 HD2 PHE 89 HD1 PHE 89 -2.470 -9.040 2.546 673 HE1 PHE 89 HE2 PHE 89 0.716 -7.397 -0.821 674 HE2 PHE 89 HE1 PHE 89 -3.295 -7.920 0.523 675 HZ PHE 89 HZ PHE 89 -1.701 -7.095 -1.162 676 H ARG 90 H ARG 90 -1.444 -9.436 5.798 677 HA ARG 90 HA ARG 90 -3.364 -7.435 5.378 678 HB2 ARG 90 2HB ARG 90 -3.035 -9.369 7.677 679 HB3 ARG 90 3HB ARG 90 -4.434 -8.326 7.486 680 HG2 ARG 90 2HG ARG 90 -3.550 -10.548 5.656 681 HG3 ARG 90 3HG ARG 90 -4.990 -10.500 6.675 682 HD2 ARG 90 2HD ARG 90 -4.408 -8.868 4.204 683 HD3 ARG 90 3HD ARG 90 -5.687 -10.058 4.436 684 HE ARG 90 HE ARG 90 -5.725 -7.669 6.114 685 HH11 ARG 90 1HH1 ARG 90 -7.150 -9.504 3.571 686 HH12 ARG 90 2HH1 ARG 90 -8.486 -8.417 3.402 687 HH21 ARG 90 1HH2 ARG 90 -7.454 -6.305 5.900 688 HH22 ARG 90 2HH2 ARG 90 -8.664 -6.650 4.709 689 H GLU 91 H GLU 91 -1.123 -7.835 8.141 690 HA GLU 91 HA GLU 91 -2.008 -5.544 9.529 691 HB2 GLU 91 2HB GLU 91 -0.063 -5.777 10.928 692 HB3 GLU 91 3HB GLU 91 -0.668 -7.387 10.555 693 HG2 GLU 91 2HG GLU 91 1.081 -7.666 8.879 694 HG3 GLU 91 3HG GLU 91 1.687 -6.049 9.233 695 H ALA 92 H ALA 92 0.490 -5.958 7.053 696 HA ALA 92 HA ALA 92 1.558 -3.342 7.168 697 HB1 ALA 92 3HB ALA 92 2.463 -3.808 4.951 698 HB2 ALA 92 1HB ALA 92 1.407 -5.213 4.802 699 HB3 ALA 92 2HB ALA 92 2.681 -5.191 6.022 700 H VAL 93 H VAL 93 -1.016 -4.723 5.110 701 HA VAL 93 HA VAL 93 -1.706 -2.406 3.699 702 HB VAL 93 HB VAL 93 -3.444 -4.737 4.546 703 HG11 VAL 93 1HG1 VAL 93 -4.051 -2.584 2.512 704 HG12 VAL 93 2HG1 VAL 93 -4.876 -2.822 4.052 705 HG13 VAL 93 3HG1 VAL 93 -5.011 -4.040 2.782 706 HG21 VAL 93 3HG2 VAL 93 -1.550 -5.309 3.094 707 HG22 VAL 93 1HG2 VAL 93 -2.095 -4.114 1.916 708 HG23 VAL 93 2HG2 VAL 93 -3.093 -5.527 2.268 709 H SER 94 H SER 94 -2.684 -3.496 6.910 710 HA SER 94 HA SER 94 -4.677 -1.616 7.471 711 HB2 SER 94 2HB SER 94 -4.206 -3.517 8.957 712 HB3 SER 94 3HB SER 94 -2.650 -2.808 9.390 713 HG SER 94 HG SER 94 -5.207 -1.647 9.875 714 H LYS 95 H LYS 95 -1.145 -1.301 7.693 715 HA LYS 95 HA LYS 95 -1.151 1.315 8.820 716 HB2 LYS 95 2HB LYS 95 0.904 -0.301 7.330 717 HB3 LYS 95 3HB LYS 95 1.212 1.385 7.707 718 HG2 LYS 95 2HG LYS 95 2.230 -0.056 9.361 719 HG3 LYS 95 3HG LYS 95 0.950 0.911 10.093 720 HD2 LYS 95 2HD LYS 95 -0.562 -0.987 10.042 721 HD3 LYS 95 3HD LYS 95 0.645 -1.957 9.194 722 HE2 LYS 95 2HE LYS 95 0.956 -0.812 11.972 723 HE3 LYS 95 3HE LYS 95 0.537 -2.483 11.598 724 HZ1 LYS 95 3HZ LYS 95 2.649 -2.783 10.540 725 HZ2 LYS 95 1HZ LYS 95 2.910 -2.163 12.090 726 HZ3 LYS 95 2HZ LYS 95 3.051 -1.156 10.741 727 H LEU 96 H LEU 96 -1.163 0.123 5.479 728 HA LEU 96 HA LEU 96 -0.715 2.590 4.193 729 HB2 LEU 96 2HB LEU 96 -0.519 0.426 3.060 730 HB3 LEU 96 3HB LEU 96 -2.247 0.174 3.215 731 HG LEU 96 HG LEU 96 -2.652 2.124 1.738 732 HD11 LEU 96 1HD1 LEU 96 0.353 2.147 1.415 733 HD12 LEU 96 2HD1 LEU 96 -0.618 3.388 2.209 734 HD13 LEU 96 3HD1 LEU 96 -0.796 3.103 0.479 735 HD21 LEU 96 3HD2 LEU 96 -1.902 1.059 -0.351 736 HD22 LEU 96 1HD2 LEU 96 -2.596 -0.106 0.775 737 HD23 LEU 96 2HD2 LEU 96 -0.846 -0.005 0.581 738 H GLU 97 H GLU 97 -3.809 0.919 4.882 739 HA GLU 97 HA GLU 97 -5.475 2.901 3.780 740 HB2 GLU 97 2HB GLU 97 -7.301 1.838 5.067 741 HB3 GLU 97 3HB GLU 97 -6.321 0.673 4.188 742 HG2 GLU 97 2HG GLU 97 -5.235 -0.047 6.180 743 HG3 GLU 97 3HG GLU 97 -5.922 1.285 7.106 744 H LEU 98 H LEU 98 -4.431 2.432 7.169 745 HA LEU 98 HA LEU 98 -5.840 4.598 8.271 746 HB2 LEU 98 2HB LEU 98 -3.486 2.976 9.096 747 HB3 LEU 98 3HB LEU 98 -3.708 4.511 9.912 748 HG LEU 98 HG LEU 98 -4.689 2.658 11.178 749 HD11 LEU 98 1HD1 LEU 98 -5.665 4.867 11.419 750 HD12 LEU 98 2HD1 LEU 98 -6.917 3.630 11.537 751 HD13 LEU 98 3HD1 LEU 98 -6.740 4.568 10.052 752 HD21 LEU 98 3HD2 LEU 98 -6.683 1.494 10.347 753 HD22 LEU 98 1HD2 LEU 98 -5.269 1.169 9.346 754 HD23 LEU 98 2HD2 LEU 98 -6.503 2.299 8.788 755 H SER 99 H SER 99 -2.508 4.476 7.007 756 HA SER 99 HA SER 99 -1.841 7.149 7.531 757 HB2 SER 99 2HB SER 99 -0.829 5.377 5.291 758 HB3 SER 99 3HB SER 99 -0.055 6.858 5.859 759 HG SER 99 HG SER 99 0.086 4.347 6.870 760 H LEU 100 H LEU 100 -3.499 5.710 4.757 761 HA LEU 100 HA LEU 100 -3.565 8.058 3.158 762 HB2 LEU 100 2HB LEU 100 -5.314 5.598 3.191 763 HB3 LEU 100 3HB LEU 100 -5.491 6.882 2.008 764 HG LEU 100 HG LEU 100 -2.990 5.215 2.387 765 HD11 LEU 100 1HD1 LEU 100 -4.820 3.872 1.498 766 HD12 LEU 100 2HD1 LEU 100 -3.592 4.162 0.266 767 HD13 LEU 100 3HD1 LEU 100 -5.104 5.073 0.234 768 HD21 LEU 100 3HD2 LEU 100 -2.512 7.453 1.545 769 HD22 LEU 100 1HD2 LEU 100 -3.711 7.244 0.268 770 HD23 LEU 100 2HD2 LEU 100 -2.258 6.244 0.288 771 H GLN 101 H GLN 101 -5.903 6.723 5.513 772 HA GLN 101 HA GLN 101 -7.870 8.725 4.983 773 HB2 GLN 101 2HB GLN 101 -9.069 7.863 6.920 774 HB3 GLN 101 3HB GLN 101 -8.506 6.546 5.900 775 HG2 GLN 101 2HG GLN 101 -6.730 6.041 7.431 776 HG3 GLN 101 3HG GLN 101 -7.106 7.463 8.403 777 HE21 GLN 101 1HE2 GLN 101 -8.917 7.436 9.729 778 HE22 GLN 101 2HE2 GLN 101 -9.732 5.970 10.144 779 H GLU 102 H GLU 102 -5.169 8.562 7.244 780 HA GLU 102 HA GLU 102 -6.040 10.918 8.668 781 HB2 GLU 102 2HB GLU 102 -3.952 10.813 9.870 782 HB3 GLU 102 3HB GLU 102 -4.641 9.200 9.776 783 HG2 GLU 102 2HG GLU 102 -3.074 8.640 7.980 784 HG3 GLU 102 3HG GLU 102 -2.389 10.261 8.071 785 H LEU 103 H LEU 103 -3.807 10.231 5.996 786 HA LEU 103 HA LEU 103 -2.624 12.772 5.811 787 HB2 LEU 103 2HB LEU 103 -1.762 10.818 4.612 788 HB3 LEU 103 3HB LEU 103 -3.194 10.793 3.600 789 HG LEU 103 HG LEU 103 -2.559 13.017 2.686 790 HD11 LEU 103 1HD1 LEU 103 -0.038 12.629 4.300 791 HD12 LEU 103 2HD1 LEU 103 -1.270 13.867 4.556 792 HD13 LEU 103 3HD1 LEU 103 -0.301 13.879 3.083 793 HD21 LEU 103 3HD2 LEU 103 -0.724 12.224 1.285 794 HD22 LEU 103 1HD2 LEU 103 -1.946 10.972 1.501 795 HD23 LEU 103 2HD2 LEU 103 -0.434 10.890 2.403 796 H GLN 104 H GLN 104 -5.509 11.498 4.124 797 HA GLN 104 HA GLN 104 -5.998 13.713 2.503 798 HB2 GLN 104 2HB GLN 104 -8.324 12.880 2.337 799 HB3 GLN 104 3HB GLN 104 -7.122 11.616 2.112 800 HG2 GLN 104 2HG GLN 104 -7.482 10.871 4.419 801 HG3 GLN 104 3HG GLN 104 -8.704 12.126 4.627 802 HE21 GLN 104 1HE2 GLN 104 -7.936 9.115 3.046 803 HE22 GLN 104 2HE2 GLN 104 -9.556 8.715 2.599 804 H VAL 105 H VAL 105 -6.686 13.329 5.914 805 HA VAL 105 HA VAL 105 -8.208 15.849 5.923 806 HB VAL 105 HB VAL 105 -8.790 15.349 8.241 807 HG11 VAL 105 1HG1 VAL 105 -10.158 13.329 7.851 808 HG12 VAL 105 2HG1 VAL 105 -9.256 13.024 6.367 809 HG13 VAL 105 3HG1 VAL 105 -10.246 14.477 6.515 810 HG21 VAL 105 3HG2 VAL 105 -7.114 12.853 7.892 811 HG22 VAL 105 1HG2 VAL 105 -8.171 13.186 9.266 812 HG23 VAL 105 2HG2 VAL 105 -6.767 14.210 8.965 813 H SER 106 H SER 106 -5.057 14.704 6.483 814 HA SER 106 HA SER 106 -4.367 17.084 8.105 815 HB2 SER 106 2HB SER 106 -3.962 14.897 9.225 816 HB3 SER 106 3HB SER 106 -2.862 14.456 7.921 817 HG SER 106 HG SER 106 -1.860 16.656 8.629 818 H SER 107 H SER 107 -4.496 16.564 5.063 819 HA SER 107 HA SER 107 -1.885 16.646 4.003 820 HB2 SER 107 2HB SER 107 -2.977 17.512 1.941 821 HB3 SER 107 3HB SER 107 -3.790 16.094 2.601 822 HG SER 107 HG SER 107 -5.371 17.558 2.120 823 H ALA 108 H ALA 108 -4.180 19.378 4.165 824 HA ALA 108 HA ALA 108 -3.922 21.611 4.455 825 HB1 ALA 108 3HB ALA 108 -2.729 21.010 6.515 826 HB2 ALA 108 1HB ALA 108 -2.068 22.470 5.779 827 HB3 ALA 108 2HB ALA 108 -1.214 20.934 5.615 828 H ALA 109 H ALA 109 -0.590 20.625 3.641 829 HA ALA 109 HA ALA 109 -0.063 22.723 1.859 830 HB1 ALA 109 3HB ALA 109 1.179 19.974 1.934 831 HB2 ALA 109 1HB ALA 109 1.661 21.349 2.930 832 HB3 ALA 109 2HB ALA 109 1.870 21.414 1.180 833 H ALA 110 H ALA 110 -1.489 19.555 1.309 834 HA ALA 110 HA ALA 110 -2.686 18.684 -0.409 835 HB1 ALA 110 3HB ALA 110 -2.601 21.463 -1.576 836 HB2 ALA 110 1HB ALA 110 -3.825 20.842 -0.470 837 HB3 ALA 110 2HB ALA 110 -3.669 20.155 -2.087 838 H GLY 111 H GLY 111 0.451 19.608 -0.730 839 HA2 GLY 111 2HA GLY 111 0.976 17.861 -2.882 840 HA3 GLY 111 3HA GLY 111 0.985 19.507 -3.487 841 H VAL 112 H VAL 112 2.168 20.703 -1.142 842 HA VAL 112 HA VAL 112 4.861 20.569 -1.764 843 HB VAL 112 HB VAL 112 3.668 21.318 0.915 844 HG11 VAL 112 1HG1 VAL 112 6.055 20.916 1.128 845 HG12 VAL 112 2HG1 VAL 112 5.720 22.643 1.240 846 HG13 VAL 112 3HG1 VAL 112 6.379 21.968 -0.251 847 HG21 VAL 112 3HG2 VAL 112 4.345 23.043 -1.474 848 HG22 VAL 112 1HG2 VAL 112 3.760 23.624 0.087 849 HG23 VAL 112 2HG2 VAL 112 2.724 22.619 -0.925 850 HA PRO 113 HA PRO 113 5.902 16.601 0.089 851 HB2 PRO 113 2HB PRO 113 8.434 16.435 -0.811 852 HB3 PRO 113 3HB PRO 113 7.048 16.248 -1.893 853 HG2 PRO 113 2HG PRO 113 8.778 18.658 -1.438 854 HG3 PRO 113 3HG PRO 113 8.189 17.977 -2.967 855 HD2 PRO 113 2HD PRO 113 7.015 20.111 -1.719 856 HD3 PRO 113 3HD PRO 113 6.131 18.985 -2.769 857 H GLY 114 H GLY 114 7.088 15.836 1.864 858 HA2 GLY 114 2HA GLY 114 8.577 15.846 3.632 859 HA3 GLY 114 3HA GLY 114 9.266 17.331 3.004 860 H THR 115 H THR 115 6.154 18.167 3.187 861 HA THR 115 HA THR 115 6.508 19.697 5.573 862 HB THR 115 HB THR 115 5.200 20.609 3.741 863 HG1 THR 115 HG1 THR 115 4.622 21.379 5.781 864 HG21 THR 115 3HG2 THR 115 3.179 18.441 4.331 865 HG22 THR 115 1HG2 THR 115 4.227 18.502 2.912 866 HG23 THR 115 2HG2 THR 115 3.001 19.745 3.157 867 H ASN 116 H ASN 116 4.565 16.821 4.819 868 HA ASN 116 HA ASN 116 4.066 16.488 7.710 869 HB2 ASN 116 2HB ASN 116 2.261 15.732 5.399 870 HB3 ASN 116 3HB ASN 116 2.002 15.202 7.058 871 HD21 ASN 116 1HD2 ASN 116 1.791 17.838 4.845 872 HD22 ASN 116 2HD2 ASN 116 0.981 18.929 5.905 873 HA PRO 117 HA PRO 117 6.803 12.904 7.216 874 HB2 PRO 117 2HB PRO 117 5.285 12.243 9.721 875 HB3 PRO 117 3HB PRO 117 7.016 12.101 9.386 876 HG2 PRO 117 2HG PRO 117 6.106 14.146 10.811 877 HG3 PRO 117 3HG PRO 117 7.379 14.394 9.599 878 HD2 PRO 117 2HD PRO 117 4.485 15.116 9.481 879 HD3 PRO 117 3HD PRO 117 5.886 15.943 8.774 880 H VAL 118 H VAL 118 3.300 12.730 7.720 881 HA VAL 118 HA VAL 118 2.777 10.045 7.400 882 HB VAL 118 HB VAL 118 1.163 12.282 6.143 883 HG11 VAL 118 1HG1 VAL 118 -0.736 10.746 6.343 884 HG12 VAL 118 2HG1 VAL 118 0.338 9.492 6.964 885 HG13 VAL 118 3HG1 VAL 118 0.525 10.073 5.309 886 HG21 VAL 118 3HG2 VAL 118 0.979 11.064 8.903 887 HG22 VAL 118 1HG2 VAL 118 -0.152 12.234 8.220 888 HG23 VAL 118 2HG2 VAL 118 1.524 12.695 8.510 889 H LEU 119 H LEU 119 3.664 12.363 4.895 890 HA LEU 119 HA LEU 119 3.176 10.846 2.601 891 HB2 LEU 119 2HB LEU 119 5.452 12.777 3.109 892 HB3 LEU 119 3HB LEU 119 4.928 12.221 1.529 893 HG LEU 119 HG LEU 119 3.257 13.879 3.435 894 HD11 LEU 119 1HD1 LEU 119 4.630 14.676 0.868 895 HD12 LEU 119 2HD1 LEU 119 5.138 15.136 2.494 896 HD13 LEU 119 3HD1 LEU 119 3.592 15.701 1.863 897 HD21 LEU 119 3HD2 LEU 119 1.880 12.420 2.047 898 HD22 LEU 119 1HD2 LEU 119 2.710 12.992 0.599 899 HD23 LEU 119 2HD2 LEU 119 1.714 14.101 1.541 900 H ASN 120 H ASN 120 5.986 10.847 4.761 901 HA ASN 120 HA ASN 120 7.482 8.906 3.279 902 HB2 ASN 120 2HB ASN 120 7.740 9.688 6.198 903 HB3 ASN 120 3HB ASN 120 8.937 8.812 5.248 904 HD21 ASN 120 1HD2 ASN 120 9.190 11.326 6.661 905 HD22 ASN 120 2HD2 ASN 120 9.691 12.482 5.477 906 H ASN 121 H ASN 121 5.222 8.793 5.985 907 HA ASN 121 HA ASN 121 5.511 6.105 6.709 908 HB2 ASN 121 2HB ASN 121 3.062 7.886 6.830 909 HB3 ASN 121 3HB ASN 121 3.184 6.312 7.613 910 HD21 ASN 121 1HD2 ASN 121 2.907 7.256 9.650 911 HD22 ASN 121 2HD2 ASN 121 4.175 8.142 10.419 912 H LEU 122 H LEU 122 3.438 7.577 4.212 913 HA LEU 122 HA LEU 122 2.213 5.238 3.278 914 HB2 LEU 122 2HB LEU 122 3.028 7.757 1.833 915 HB3 LEU 122 3HB LEU 122 2.159 6.457 1.037 916 HG LEU 122 HG LEU 122 1.163 8.116 3.364 917 HD11 LEU 122 1HD1 LEU 122 0.266 7.955 0.484 918 HD12 LEU 122 2HD1 LEU 122 1.123 9.302 1.236 919 HD13 LEU 122 3HD1 LEU 122 -0.513 8.898 1.754 920 HD21 LEU 122 3HD2 LEU 122 -0.942 6.880 3.106 921 HD22 LEU 122 1HD2 LEU 122 0.383 5.814 3.576 922 HD23 LEU 122 2HD2 LEU 122 -0.183 5.836 1.904 923 H LEU 123 H LEU 123 5.281 6.734 2.236 924 HA LEU 123 HA LEU 123 6.073 4.846 0.352 925 HB2 LEU 123 2HB LEU 123 7.216 7.004 0.779 926 HB3 LEU 123 3HB LEU 123 7.839 6.361 2.286 927 HG LEU 123 HG LEU 123 9.140 4.679 1.032 928 HD11 LEU 123 1HD1 LEU 123 8.071 6.091 -1.415 929 HD12 LEU 123 2HD1 LEU 123 7.716 4.435 -0.922 930 HD13 LEU 123 3HD1 LEU 123 9.351 4.876 -1.408 931 HD21 LEU 123 3HD2 LEU 123 10.796 6.210 0.102 932 HD22 LEU 123 1HD2 LEU 123 10.162 6.821 1.628 933 HD23 LEU 123 2HD2 LEU 123 9.613 7.517 0.104 934 H SER 124 H SER 124 6.724 4.881 3.858 935 HA SER 124 HA SER 124 8.143 2.476 4.044 936 HB2 SER 124 2HB SER 124 8.026 4.033 5.919 937 HB3 SER 124 3HB SER 124 6.290 3.752 6.082 938 HG SER 124 HG SER 124 8.424 2.231 6.935 939 H CYS 125 H CYS 125 4.631 3.042 4.263 940 HA CYS 125 HA CYS 125 3.864 0.385 4.789 941 HB2 CYS 125 2HB CYS 125 2.340 2.582 3.366 942 HB3 CYS 125 3HB CYS 125 1.629 1.065 3.908 943 HG CYS 125 HG CYS 125 3.051 3.368 6.012 944 H VAL 126 H VAL 126 4.069 2.120 1.677 945 HA VAL 126 HA VAL 126 3.277 -0.012 0.027 946 HB VAL 126 HB VAL 126 5.121 2.293 -0.645 947 HG11 VAL 126 1HG1 VAL 126 5.305 0.515 -2.304 948 HG12 VAL 126 2HG1 VAL 126 4.443 1.897 -2.980 949 HG13 VAL 126 3HG1 VAL 126 3.550 0.464 -2.471 950 HG21 VAL 126 3HG2 VAL 126 2.127 2.008 -0.945 951 HG22 VAL 126 1HG2 VAL 126 3.091 3.365 -1.529 952 HG23 VAL 126 2HG2 VAL 126 2.966 3.051 0.202 953 H GLN 127 H GLN 127 6.549 1.033 0.994 954 HA GLN 127 HA GLN 127 7.950 -0.931 -0.461 955 HB2 GLN 127 2HB GLN 127 8.721 0.611 2.022 956 HB3 GLN 127 3HB GLN 127 9.830 -0.440 1.149 957 HG2 GLN 127 2HG GLN 127 9.485 0.944 -0.875 958 HG3 GLN 127 3HG GLN 127 8.476 2.031 0.076 959 HE21 GLN 127 1HE2 GLN 127 10.988 2.519 -1.345 960 HE22 GLN 127 2HE2 GLN 127 12.085 3.140 -0.166 961 H GLU 128 H GLU 128 6.647 -0.973 2.847 962 HA GLU 128 HA GLU 128 7.708 -3.485 3.602 963 HB2 GLU 128 2HB GLU 128 6.771 -1.844 5.203 964 HB3 GLU 128 3HB GLU 128 5.163 -2.141 4.561 965 HG2 GLU 128 2HG GLU 128 5.439 -3.332 6.636 966 HG3 GLU 128 3HG GLU 128 5.319 -4.485 5.308 967 H ILE 129 H ILE 129 4.430 -2.656 2.402 968 HA ILE 129 HA ILE 129 3.371 -5.221 2.239 969 HB ILE 129 HB ILE 129 2.827 -2.858 0.420 970 HG12 ILE 129 2HG1 ILE 129 1.346 -3.856 2.873 971 HG13 ILE 129 3HG1 ILE 129 2.387 -2.439 2.819 972 HG21 ILE 129 1HG2 ILE 129 2.080 -4.904 -0.656 973 HG22 ILE 129 2HG2 ILE 129 0.692 -3.967 -0.108 974 HG23 ILE 129 3HG2 ILE 129 1.212 -5.385 0.803 975 HD11 ILE 129 3HD1 ILE 129 -0.183 -2.801 1.294 976 HD12 ILE 129 1HD1 ILE 129 0.861 -1.379 1.235 977 HD13 ILE 129 2HD1 ILE 129 0.051 -1.816 2.738 978 H SER 130 H SER 130 4.999 -3.402 -0.376 979 HA SER 130 HA SER 130 4.906 -5.441 -2.306 980 HB2 SER 130 2HB SER 130 6.632 -4.183 -3.506 981 HB3 SER 130 3HB SER 130 5.416 -3.086 -2.853 982 HG SER 130 HG SER 130 6.834 -2.312 -1.437 983 H ASP 131 H ASP 131 7.282 -4.763 0.216 984 HA ASP 131 HA ASP 131 9.242 -6.629 -0.625 985 HB2 ASP 131 2HB ASP 131 9.744 -4.802 0.926 986 HB3 ASP 131 3HB ASP 131 8.670 -5.510 2.128 987 H VAL 132 H VAL 132 6.553 -6.900 1.714 988 HA VAL 132 HA VAL 132 6.995 -9.487 2.639 989 HB VAL 132 HB VAL 132 4.339 -8.122 2.126 990 HG11 VAL 132 1HG1 VAL 132 4.945 -10.559 3.806 991 HG12 VAL 132 2HG1 VAL 132 4.006 -10.528 2.313 992 HG13 VAL 132 3HG1 VAL 132 3.399 -9.711 3.755 993 HG21 VAL 132 3HG2 VAL 132 4.410 -7.604 4.530 994 HG22 VAL 132 1HG2 VAL 132 5.778 -6.893 3.673 995 HG23 VAL 132 2HG2 VAL 132 6.004 -8.349 4.643 996 H VAL 133 H VAL 133 5.395 -8.448 -0.339 997 HA VAL 133 HA VAL 133 4.477 -10.990 -1.182 998 HB VAL 133 HB VAL 133 5.186 -8.585 -2.889 999 HG11 VAL 133 1HG1 VAL 133 3.625 -9.524 -4.532 1000 HG12 VAL 133 2HG1 VAL 133 3.389 -10.938 -3.504 1001 HG13 VAL 133 3HG1 VAL 133 4.969 -10.623 -4.223 1002 HG21 VAL 133 3HG2 VAL 133 2.796 -8.018 -2.739 1003 HG22 VAL 133 1HG2 VAL 133 3.572 -8.005 -1.155 1004 HG23 VAL 133 2HG2 VAL 133 2.550 -9.363 -1.625 1005 H GLN 134 H GLN 134 7.637 -9.549 -1.272 1006 HA GLN 134 HA GLN 134 8.600 -11.298 -3.411 1007 HB2 GLN 134 2HB GLN 134 10.113 -9.225 -1.810 1008 HB3 GLN 134 3HB GLN 134 10.660 -10.012 -3.284 1009 HG2 GLN 134 2HG GLN 134 8.868 -8.921 -4.540 1010 HG3 GLN 134 3HG GLN 134 8.295 -8.155 -3.057 1011 HE21 GLN 134 1HE2 GLN 134 8.634 -6.070 -3.770 1012 HE22 GLN 134 2HE2 GLN 134 10.212 -5.404 -3.989 1013 H ARG 135 H ARG 135 8.252 -11.589 -0.092 1014 HA ARG 135 HA ARG 135 10.835 -12.733 0.530 1015 HB2 ARG 135 2HB ARG 135 8.298 -12.704 2.181 1016 HB3 ARG 135 3HB ARG 135 9.902 -13.136 2.764 1017 HG2 ARG 135 2HG ARG 135 10.685 -10.870 2.317 1018 HG3 ARG 135 3HG ARG 135 9.091 -10.434 1.700 1019 HD2 ARG 135 2HD ARG 135 8.142 -11.013 3.938 1020 HD3 ARG 135 3HD ARG 135 9.794 -11.242 4.522 1021 HE ARG 135 HE ARG 135 9.816 -8.745 3.438 1022 HH11 ARG 135 1HH1 ARG 135 7.920 -10.287 5.881 1023 HH12 ARG 135 2HH1 ARG 135 7.586 -8.796 6.691 1024 HH21 ARG 135 1HH2 ARG 135 9.361 -6.873 4.468 1025 HH22 ARG 135 2HH2 ARG 135 8.359 -6.872 5.879 Start of MODEL 20 1 H1 MET 1 1H MET 1 -18.409 4.543 25.311 2 H2 MET 1 2H MET 1 -16.740 4.297 25.466 3 H3 MET 1 3H MET 1 -17.457 4.286 23.935 4 HA MET 1 HA MET 1 -18.051 6.617 24.162 5 HB2 MET 1 2HB MET 1 -16.403 6.510 26.707 6 HB3 MET 1 3HB MET 1 -17.217 7.919 26.042 7 HG2 MET 1 2HG MET 1 -19.384 6.853 26.444 8 HG3 MET 1 3HG MET 1 -18.561 5.446 27.120 9 HE1 MET 1 3HE MET 1 -19.516 9.201 27.582 10 HE2 MET 1 1HE MET 1 -17.755 9.312 27.545 11 HE3 MET 1 2HE MET 1 -18.626 9.645 29.039 12 H GLY 2 H GLY 2 -16.393 8.421 23.862 13 HA2 GLY 2 2HA GLY 2 -14.371 9.264 23.181 14 HA3 GLY 2 3HA GLY 2 -13.614 7.867 23.917 15 H HIS 3 H HIS 3 -12.408 6.744 22.546 16 HA HIS 3 HA HIS 3 -12.485 7.418 19.737 17 HB2 HIS 3 2HB HIS 3 -10.383 7.354 21.027 18 HB3 HIS 3 3HB HIS 3 -10.599 5.630 21.294 19 HD1 HIS 3 HD1 HIS 3 -9.394 4.179 19.700 20 HD2 HIS 3 HD2 HIS 3 -10.107 7.944 18.102 21 HE1 HIS 3 HE1 HIS 3 -8.247 4.187 17.473 22 HE2 HIS 3 HE2 HIS 3 -8.495 6.547 16.644 23 H HIS 4 H HIS 4 -14.782 5.890 20.360 24 HA HIS 4 HA HIS 4 -14.326 3.151 19.557 25 HB2 HIS 4 2HB HIS 4 -16.146 3.728 21.114 26 HB3 HIS 4 3HB HIS 4 -16.926 4.682 19.859 27 HD1 HIS 4 HD1 HIS 4 -19.032 3.350 19.545 28 HD2 HIS 4 HD2 HIS 4 -15.617 0.988 19.362 29 HE1 HIS 4 HE1 HIS 4 -19.817 1.086 18.796 30 HE2 HIS 4 HE2 HIS 4 -17.740 -0.332 18.701 31 H HIS 5 H HIS 5 -13.130 4.190 17.585 32 HA HIS 5 HA HIS 5 -12.921 4.218 15.333 33 HB2 HIS 5 2HB HIS 5 -15.659 2.935 15.292 34 HB3 HIS 5 3HB HIS 5 -14.480 2.926 13.984 35 HD1 HIS 5 HD1 HIS 5 -12.190 1.582 14.532 36 HD2 HIS 5 HD2 HIS 5 -15.397 0.865 17.070 37 HE1 HIS 5 HE1 HIS 5 -11.597 -0.504 15.788 38 HE2 HIS 5 HE2 HIS 5 -13.463 -0.800 17.451 39 H HIS 6 H HIS 6 -16.452 4.769 15.469 40 HA HIS 6 HA HIS 6 -17.762 6.541 14.965 41 HB2 HIS 6 2HB HIS 6 -15.168 8.056 15.154 42 HB3 HIS 6 3HB HIS 6 -16.684 8.848 14.743 43 HD1 HIS 6 HD1 HIS 6 -18.605 8.659 16.616 44 HD2 HIS 6 HD2 HIS 6 -14.740 7.744 17.833 45 HE1 HIS 6 HE1 HIS 6 -18.638 8.791 19.120 46 HE2 HIS 6 HE2 HIS 6 -16.246 8.452 19.811 47 H HIS 7 H HIS 7 -15.395 5.484 12.757 48 HA HIS 7 HA HIS 7 -16.026 7.308 10.641 49 HB2 HIS 7 2HB HIS 7 -14.811 5.718 9.160 50 HB3 HIS 7 3HB HIS 7 -13.888 6.226 10.564 51 HD1 HIS 7 HD1 HIS 7 -15.725 3.221 9.189 52 HD2 HIS 7 HD2 HIS 7 -13.029 4.181 12.202 53 HE1 HIS 7 HE1 HIS 7 -14.914 1.027 10.089 54 HE2 HIS 7 HE2 HIS 7 -13.137 1.638 11.755 55 H HIS 8 H HIS 8 -18.271 7.363 10.424 56 HA HIS 8 HA HIS 8 -19.440 4.992 9.099 57 HB2 HIS 8 2HB HIS 8 -20.180 5.264 11.507 58 HB3 HIS 8 3HB HIS 8 -20.953 6.768 11.027 59 HD1 HIS 8 HD1 HIS 8 -23.195 6.600 9.831 60 HD2 HIS 8 HD2 HIS 8 -21.419 2.906 10.499 61 HE1 HIS 8 HE1 HIS 8 -24.957 4.905 9.290 62 HE2 HIS 8 HE2 HIS 8 -23.923 2.693 9.880 63 H SER 9 H SER 9 -18.322 7.629 8.125 64 HA SER 9 HA SER 9 -20.499 9.159 7.081 65 HB2 SER 9 2HB SER 9 -18.257 10.143 7.350 66 HB3 SER 9 3HB SER 9 -17.610 9.020 6.157 67 HG SER 9 HG SER 9 -18.086 11.086 5.260 68 H HIS 10 H HIS 10 -21.703 8.845 5.264 69 HA HIS 10 HA HIS 10 -20.772 6.983 3.209 70 HB2 HIS 10 2HB HIS 10 -21.959 5.498 4.691 71 HB3 HIS 10 3HB HIS 10 -23.331 6.598 4.778 72 HD1 HIS 10 HD1 HIS 10 -25.172 6.201 3.141 73 HD2 HIS 10 HD2 HIS 10 -21.641 4.315 2.023 74 HE1 HIS 10 HE1 HIS 10 -25.751 4.837 1.118 75 HE2 HIS 10 HE2 HIS 10 -23.559 3.878 0.344 76 H MET 11 H MET 11 -20.859 8.260 1.455 77 HA MET 11 HA MET 11 -23.199 9.955 0.955 78 HB2 MET 11 2HB MET 11 -20.659 9.632 -0.664 79 HB3 MET 11 3HB MET 11 -21.907 10.843 -0.931 80 HG2 MET 11 2HG MET 11 -21.404 11.867 1.212 81 HG3 MET 11 3HG MET 11 -20.197 10.626 1.544 82 HE1 MET 11 3HE MET 11 -18.917 10.318 -1.440 83 HE2 MET 11 1HE MET 11 -17.983 10.308 0.056 84 HE3 MET 11 2HE MET 11 -17.526 11.389 -1.259 85 H ALA 12 H ALA 12 -23.871 9.939 -1.525 86 HA ALA 12 HA ALA 12 -24.535 7.160 -2.184 87 HB1 ALA 12 3HB ALA 12 -26.374 8.758 -2.104 88 HB2 ALA 12 1HB ALA 12 -26.171 8.119 -3.735 89 HB3 ALA 12 2HB ALA 12 -25.595 9.738 -3.344 90 H ASN 13 H ASN 13 -23.940 6.141 -4.069 91 HA ASN 13 HA ASN 13 -21.603 7.215 -5.410 92 HB2 ASN 13 2HB ASN 13 -23.050 4.594 -5.866 93 HB3 ASN 13 3HB ASN 13 -21.451 5.016 -6.472 94 HD21 ASN 13 1HD2 ASN 13 -22.379 2.864 -4.683 95 HD22 ASN 13 2HD2 ASN 13 -21.410 3.005 -3.264 96 H GLY 14 H GLY 14 -24.966 7.029 -6.033 97 HA2 GLY 14 2HA GLY 14 -25.739 8.465 -7.922 98 HA3 GLY 14 3HA GLY 14 -24.546 7.624 -8.903 99 H ALA 15 H ALA 15 -27.384 7.774 -9.407 100 HA ALA 15 HA ALA 15 -28.540 5.241 -8.625 101 HB1 ALA 15 3HB ALA 15 -30.506 5.993 -9.826 102 HB2 ALA 15 1HB ALA 15 -29.591 7.328 -10.532 103 HB3 ALA 15 2HB ALA 15 -29.891 7.287 -8.794 104 H ALA 16 H ALA 16 -27.508 3.540 -9.551 105 HA ALA 16 HA ALA 16 -27.742 3.239 -12.465 106 HB1 ALA 16 3HB ALA 16 -25.458 4.062 -12.068 107 HB2 ALA 16 1HB ALA 16 -25.452 2.404 -12.671 108 HB3 ALA 16 2HB ALA 16 -25.168 2.722 -10.959 109 H GLY 17 H GLY 17 -29.115 2.111 -10.088 110 HA2 GLY 17 2HA GLY 17 -28.163 -0.504 -9.524 111 HA3 GLY 17 3HA GLY 17 -29.758 0.116 -9.145 112 H THR 18 H THR 18 -29.801 0.659 -12.263 113 HA THR 18 HA THR 18 -31.449 -1.521 -12.926 114 HB THR 18 HB THR 18 -30.069 0.436 -14.784 115 HG1 THR 18 HG1 THR 18 -32.375 1.259 -14.751 116 HG21 THR 18 3HG2 THR 18 -30.796 -1.580 -15.996 117 HG22 THR 18 1HG2 THR 18 -31.783 -0.183 -16.432 118 HG23 THR 18 2HG2 THR 18 -32.419 -1.402 -15.325 119 H LYS 19 H LYS 19 -28.025 -0.922 -13.665 120 HA LYS 19 HA LYS 19 -27.739 -3.268 -15.296 121 HB2 LYS 19 2HB LYS 19 -25.305 -2.782 -15.172 122 HB3 LYS 19 3HB LYS 19 -26.262 -1.401 -15.688 123 HG2 LYS 19 2HG LYS 19 -26.106 -0.430 -13.464 124 HG3 LYS 19 3HG LYS 19 -25.200 -1.830 -12.898 125 HD2 LYS 19 2HD LYS 19 -24.259 -0.038 -15.139 126 HD3 LYS 19 3HD LYS 19 -23.825 0.217 -13.451 127 HE2 LYS 19 2HE LYS 19 -22.017 -0.959 -14.435 128 HE3 LYS 19 3HE LYS 19 -22.888 -2.130 -13.452 129 HZ1 LYS 19 3HZ LYS 19 -23.875 -3.054 -15.396 130 HZ2 LYS 19 1HZ LYS 19 -22.210 -2.958 -15.663 131 HZ3 LYS 19 2HZ LYS 19 -23.246 -1.832 -16.385 132 H VAL 20 H VAL 20 -27.037 -2.491 -11.910 133 HA VAL 20 HA VAL 20 -26.364 -5.326 -11.439 134 HB VAL 20 HB VAL 20 -25.768 -2.957 -9.641 135 HG11 VAL 20 1HG1 VAL 20 -24.363 -4.534 -8.388 136 HG12 VAL 20 2HG1 VAL 20 -24.893 -5.846 -9.439 137 HG13 VAL 20 3HG1 VAL 20 -26.054 -5.036 -8.386 138 HG21 VAL 20 3HG2 VAL 20 -23.930 -4.541 -11.446 139 HG22 VAL 20 1HG2 VAL 20 -23.419 -3.305 -10.295 140 HG23 VAL 20 2HG2 VAL 20 -24.426 -2.866 -11.672 141 H ALA 21 H ALA 21 -28.566 -5.969 -11.418 142 HA ALA 21 HA ALA 21 -30.061 -5.187 -8.988 143 HB1 ALA 21 3HB ALA 21 -32.100 -5.820 -10.167 144 HB2 ALA 21 1HB ALA 21 -31.154 -6.285 -11.580 145 HB3 ALA 21 2HB ALA 21 -31.211 -4.597 -11.072 146 H LEU 22 H LEU 22 -28.822 -7.831 -10.901 147 HA LEU 22 HA LEU 22 -29.413 -9.691 -8.689 148 HB2 LEU 22 2HB LEU 22 -29.743 -10.252 -11.649 149 HB3 LEU 22 3HB LEU 22 -29.806 -11.480 -10.399 150 HG LEU 22 HG LEU 22 -31.739 -9.165 -10.649 151 HD11 LEU 22 1HD1 LEU 22 -33.362 -10.843 -11.363 152 HD12 LEU 22 2HD1 LEU 22 -32.107 -12.083 -11.325 153 HD13 LEU 22 3HD1 LEU 22 -32.000 -10.753 -12.480 154 HD21 LEU 22 3HD2 LEU 22 -33.043 -10.360 -8.955 155 HD22 LEU 22 1HD2 LEU 22 -31.455 -9.907 -8.337 156 HD23 LEU 22 2HD2 LEU 22 -31.770 -11.574 -8.822 157 H ARG 23 H ARG 23 -26.985 -8.336 -8.981 158 HA ARG 23 HA ARG 23 -25.175 -10.564 -9.562 159 HB2 ARG 23 2HB ARG 23 -25.416 -9.019 -11.598 160 HB3 ARG 23 3HB ARG 23 -24.559 -7.813 -10.654 161 HG2 ARG 23 2HG ARG 23 -23.433 -10.551 -11.238 162 HG3 ARG 23 3HG ARG 23 -23.177 -9.160 -12.288 163 HD2 ARG 23 2HD ARG 23 -22.099 -7.965 -10.427 164 HD3 ARG 23 3HD ARG 23 -22.356 -9.364 -9.384 165 HE ARG 23 HE ARG 23 -20.906 -10.091 -11.714 166 HH11 ARG 23 1HH1 ARG 23 -20.545 -8.478 -8.687 167 HH12 ARG 23 2HH1 ARG 23 -18.868 -8.869 -8.558 168 HH21 ARG 23 1HH2 ARG 23 -18.756 -10.555 -11.551 169 HH22 ARG 23 2HH2 ARG 23 -17.855 -9.998 -10.180 170 H LYS 24 H LYS 24 -24.888 -10.705 -7.317 171 HA LYS 24 HA LYS 24 -23.010 -8.680 -6.252 172 HB2 LYS 24 2HB LYS 24 -24.917 -10.486 -4.736 173 HB3 LYS 24 3HB LYS 24 -23.634 -9.563 -3.969 174 HG2 LYS 24 2HG LYS 24 -24.707 -7.483 -4.906 175 HG3 LYS 24 3HG LYS 24 -26.073 -8.498 -5.383 176 HD2 LYS 24 2HD LYS 24 -26.425 -9.153 -3.059 177 HD3 LYS 24 3HD LYS 24 -25.013 -8.220 -2.560 178 HE2 LYS 24 2HE LYS 24 -26.971 -6.940 -2.050 179 HE3 LYS 24 3HE LYS 24 -26.159 -6.168 -3.410 180 HZ1 LYS 24 3HZ LYS 24 -28.481 -7.999 -3.644 181 HZ2 LYS 24 1HZ LYS 24 -27.750 -7.141 -4.904 182 HZ3 LYS 24 2HZ LYS 24 -28.579 -6.316 -3.684 183 H THR 25 H THR 25 -23.801 -12.117 -6.486 184 HA THR 25 HA THR 25 -21.395 -13.073 -5.288 185 HB THR 25 HB THR 25 -23.370 -14.488 -5.337 186 HG1 THR 25 HG1 THR 25 -22.191 -16.310 -6.684 187 HG21 THR 25 3HG2 THR 25 -24.154 -15.524 -7.428 188 HG22 THR 25 1HG2 THR 25 -23.012 -14.539 -8.341 189 HG23 THR 25 2HG2 THR 25 -24.337 -13.771 -7.466 190 H LYS 26 H LYS 26 -19.953 -14.652 -6.561 191 HA LYS 26 HA LYS 26 -18.693 -13.168 -8.692 192 HB2 LYS 26 2HB LYS 26 -18.002 -15.835 -7.438 193 HB3 LYS 26 3HB LYS 26 -17.001 -14.989 -8.608 194 HG2 LYS 26 2HG LYS 26 -16.703 -13.138 -7.065 195 HG3 LYS 26 3HG LYS 26 -17.768 -13.920 -5.895 196 HD2 LYS 26 2HD LYS 26 -16.193 -15.789 -5.708 197 HD3 LYS 26 3HD LYS 26 -15.136 -15.022 -6.897 198 HE2 LYS 26 2HE LYS 26 -14.329 -14.627 -4.628 199 HE3 LYS 26 3HE LYS 26 -14.821 -13.117 -5.394 200 HZ1 LYS 26 3HZ LYS 26 -16.450 -14.672 -3.456 201 HZ2 LYS 26 1HZ LYS 26 -16.904 -13.213 -4.177 202 HZ3 LYS 26 2HZ LYS 26 -15.599 -13.251 -3.109 203 H GLN 27 H GLN 27 -17.758 -14.780 -10.562 204 HA GLN 27 HA GLN 27 -19.971 -16.334 -11.664 205 HB2 GLN 27 2HB GLN 27 -19.973 -14.993 -13.774 206 HB3 GLN 27 3HB GLN 27 -20.575 -14.127 -12.367 207 HG2 GLN 27 2HG GLN 27 -18.220 -13.158 -12.161 208 HG3 GLN 27 3HG GLN 27 -17.948 -13.784 -13.786 209 HE21 GLN 27 1HE2 GLN 27 -19.119 -12.880 -15.515 210 HE22 GLN 27 2HE2 GLN 27 -19.897 -11.344 -15.381 211 H ALA 28 H ALA 28 -16.756 -14.978 -12.529 212 HA ALA 28 HA ALA 28 -15.668 -17.575 -13.044 213 HB1 ALA 28 3HB ALA 28 -15.246 -17.302 -15.447 214 HB2 ALA 28 1HB ALA 28 -16.162 -15.795 -15.439 215 HB3 ALA 28 2HB ALA 28 -16.976 -17.323 -15.104 216 H ALA 29 H ALA 29 -13.396 -17.533 -13.299 217 HA ALA 29 HA ALA 29 -12.027 -15.492 -12.000 218 HB1 ALA 29 3HB ALA 29 -9.973 -16.574 -12.758 219 HB2 ALA 29 1HB ALA 29 -10.889 -17.490 -13.956 220 HB3 ALA 29 2HB ALA 29 -11.163 -17.768 -12.235 221 H GLU 30 H GLU 30 -12.951 -15.658 -15.325 222 HA GLU 30 HA GLU 30 -11.050 -13.810 -16.376 223 HB2 GLU 30 2HB GLU 30 -13.786 -14.524 -17.451 224 HB3 GLU 30 3HB GLU 30 -12.477 -13.771 -18.353 225 HG2 GLU 30 2HG GLU 30 -12.459 -16.555 -17.191 226 HG3 GLU 30 3HG GLU 30 -12.697 -16.137 -18.886 227 H LYS 31 H LYS 31 -13.886 -13.358 -14.478 228 HA LYS 31 HA LYS 31 -13.949 -10.490 -15.158 229 HB2 LYS 31 2HB LYS 31 -15.717 -11.809 -16.388 230 HB3 LYS 31 3HB LYS 31 -16.441 -12.171 -14.830 231 HG2 LYS 31 2HG LYS 31 -17.583 -10.332 -15.961 232 HG3 LYS 31 3HG LYS 31 -16.855 -9.804 -14.442 233 HD2 LYS 31 2HD LYS 31 -16.500 -8.159 -16.229 234 HD3 LYS 31 3HD LYS 31 -14.973 -8.831 -15.660 235 HE2 LYS 31 2HE LYS 31 -14.919 -8.686 -18.063 236 HE3 LYS 31 3HE LYS 31 -14.988 -10.383 -17.597 237 HZ1 LYS 31 3HZ LYS 31 -17.380 -10.347 -18.050 238 HZ2 LYS 31 1HZ LYS 31 -16.476 -9.947 -19.421 239 HZ3 LYS 31 2HZ LYS 31 -17.267 -8.738 -18.551 240 H ILE 32 H ILE 32 -13.586 -12.659 -12.691 241 HA ILE 32 HA ILE 32 -15.116 -11.268 -10.660 242 HB ILE 32 HB ILE 32 -12.998 -13.419 -10.414 243 HG12 ILE 32 2HG1 ILE 32 -15.992 -13.566 -9.966 244 HG13 ILE 32 3HG1 ILE 32 -15.196 -14.054 -11.457 245 HG21 ILE 32 1HG2 ILE 32 -13.714 -13.626 -8.061 246 HG22 ILE 32 2HG2 ILE 32 -14.738 -12.204 -8.259 247 HG23 ILE 32 3HG2 ILE 32 -12.986 -12.057 -8.399 248 HD11 ILE 32 3HD1 ILE 32 -14.751 -15.273 -8.741 249 HD12 ILE 32 1HD1 ILE 32 -13.959 -15.766 -10.237 250 HD13 ILE 32 2HD1 ILE 32 -15.701 -15.968 -10.055 251 H SER 33 H SER 33 -14.458 -9.646 -9.367 252 HA SER 33 HA SER 33 -12.321 -7.986 -9.873 253 HB2 SER 33 2HB SER 33 -12.694 -7.055 -7.597 254 HB3 SER 33 3HB SER 33 -14.204 -7.318 -8.470 255 HG SER 33 HG SER 33 -14.021 -8.074 -6.175 256 H ALA 34 H ALA 34 -12.442 -10.385 -7.225 257 HA ALA 34 HA ALA 34 -9.821 -10.068 -6.316 258 HB1 ALA 34 3HB ALA 34 -10.087 -12.248 -5.249 259 HB2 ALA 34 1HB ALA 34 -11.514 -12.564 -6.238 260 HB3 ALA 34 2HB ALA 34 -11.534 -11.258 -5.052 261 H ASP 35 H ASP 35 -11.052 -12.255 -8.834 262 HA ASP 35 HA ASP 35 -8.472 -13.421 -9.351 263 HB2 ASP 35 2HB ASP 35 -11.111 -13.575 -10.817 264 HB3 ASP 35 3HB ASP 35 -9.664 -14.438 -11.337 265 H LYS 36 H LYS 36 -10.011 -10.541 -10.306 266 HA LYS 36 HA LYS 36 -8.514 -10.102 -12.723 267 HB2 LYS 36 2HB LYS 36 -10.691 -9.015 -12.307 268 HB3 LYS 36 3HB LYS 36 -10.018 -8.170 -10.928 269 HG2 LYS 36 2HG LYS 36 -8.749 -7.760 -13.596 270 HG3 LYS 36 3HG LYS 36 -10.306 -6.998 -13.273 271 HD2 LYS 36 2HD LYS 36 -9.344 -5.923 -11.266 272 HD3 LYS 36 3HD LYS 36 -7.783 -6.661 -11.631 273 HE2 LYS 36 2HE LYS 36 -7.709 -5.450 -13.756 274 HE3 LYS 36 3HE LYS 36 -9.275 -4.723 -13.403 275 HZ1 LYS 36 3HZ LYS 36 -6.753 -4.319 -11.898 276 HZ2 LYS 36 1HZ LYS 36 -8.258 -3.714 -11.416 277 HZ3 LYS 36 2HZ LYS 36 -7.552 -3.183 -12.858 278 H ILE 37 H ILE 37 -7.903 -9.876 -9.366 279 HA ILE 37 HA ILE 37 -5.678 -8.037 -9.527 280 HB ILE 37 HB ILE 37 -6.382 -9.930 -7.272 281 HG12 ILE 37 2HG1 ILE 37 -8.317 -8.542 -7.716 282 HG13 ILE 37 3HG1 ILE 37 -7.538 -7.973 -6.245 283 HG21 ILE 37 1HG2 ILE 37 -4.119 -9.037 -7.146 284 HG22 ILE 37 2HG2 ILE 37 -5.129 -8.348 -5.874 285 HG23 ILE 37 3HG2 ILE 37 -4.741 -7.394 -7.307 286 HD11 ILE 37 3HD1 ILE 37 -6.517 -6.142 -7.511 287 HD12 ILE 37 1HD1 ILE 37 -8.276 -6.122 -7.616 288 HD13 ILE 37 2HD1 ILE 37 -7.320 -6.714 -8.974 289 H SER 38 H SER 38 -3.496 -8.566 -9.587 290 HA SER 38 HA SER 38 -2.682 -11.374 -9.421 291 HB2 SER 38 2HB SER 38 -2.115 -9.645 -11.848 292 HB3 SER 38 3HB SER 38 -1.386 -11.221 -11.541 293 HG SER 38 HG SER 38 -4.055 -11.411 -11.308 294 H LYS 39 H LYS 39 -0.460 -11.701 -9.059 295 HA LYS 39 HA LYS 39 0.774 -10.053 -7.244 296 HB2 LYS 39 2HB LYS 39 1.493 -12.299 -7.408 297 HB3 LYS 39 3HB LYS 39 1.886 -12.136 -9.113 298 HG2 LYS 39 2HG LYS 39 3.800 -10.769 -8.596 299 HG3 LYS 39 3HG LYS 39 3.372 -10.750 -6.883 300 HD2 LYS 39 2HD LYS 39 3.814 -13.097 -6.672 301 HD3 LYS 39 3HD LYS 39 3.985 -13.277 -8.420 302 HE2 LYS 39 2HE LYS 39 5.805 -11.612 -6.679 303 HE3 LYS 39 3HE LYS 39 6.154 -13.256 -7.215 304 HZ1 LYS 39 3HZ LYS 39 5.725 -10.920 -9.003 305 HZ2 LYS 39 1HZ LYS 39 6.080 -12.496 -9.504 306 HZ3 LYS 39 2HZ LYS 39 7.221 -11.609 -8.627 307 H GLU 40 H GLU 40 1.803 -10.329 -10.672 308 HA GLU 40 HA GLU 40 3.675 -8.281 -10.666 309 HB2 GLU 40 2HB GLU 40 3.279 -8.170 -13.135 310 HB3 GLU 40 3HB GLU 40 3.543 -9.794 -12.516 311 HG2 GLU 40 2HG GLU 40 1.077 -10.138 -12.520 312 HG3 GLU 40 3HG GLU 40 0.904 -8.564 -13.295 313 H ALA 41 H ALA 41 0.192 -8.031 -11.376 314 HA ALA 41 HA ALA 41 0.128 -5.308 -12.044 315 HB1 ALA 41 3HB ALA 41 -2.281 -5.429 -11.572 316 HB2 ALA 41 1HB ALA 41 -2.045 -6.991 -10.787 317 HB3 ALA 41 2HB ALA 41 -1.731 -6.815 -12.514 318 H LEU 42 H LEU 42 0.026 -6.913 -8.903 319 HA LEU 42 HA LEU 42 -0.625 -4.574 -7.393 320 HB2 LEU 42 2HB LEU 42 -0.976 -6.963 -6.677 321 HB3 LEU 42 3HB LEU 42 0.754 -7.095 -6.443 322 HG LEU 42 HG LEU 42 -0.888 -5.051 -4.938 323 HD11 LEU 42 1HD1 LEU 42 -1.003 -6.649 -3.073 324 HD12 LEU 42 2HD1 LEU 42 -0.320 -7.901 -4.110 325 HD13 LEU 42 3HD1 LEU 42 -1.901 -7.213 -4.482 326 HD21 LEU 42 3HD2 LEU 42 0.950 -5.220 -3.309 327 HD22 LEU 42 1HD2 LEU 42 1.526 -4.711 -4.895 328 HD23 LEU 42 2HD2 LEU 42 1.771 -6.373 -4.362 329 H LEU 43 H LEU 43 2.431 -6.325 -7.976 330 HA LEU 43 HA LEU 43 4.089 -4.621 -6.477 331 HB2 LEU 43 2HB LEU 43 4.776 -6.352 -8.855 332 HB3 LEU 43 3HB LEU 43 5.950 -5.618 -7.778 333 HG LEU 43 HG LEU 43 3.906 -7.714 -7.007 334 HD11 LEU 43 1HD1 LEU 43 5.836 -9.174 -6.686 335 HD12 LEU 43 2HD1 LEU 43 6.910 -7.898 -7.257 336 HD13 LEU 43 3HD1 LEU 43 5.731 -8.616 -8.356 337 HD21 LEU 43 3HD2 LEU 43 5.044 -7.747 -4.831 338 HD22 LEU 43 1HD2 LEU 43 4.308 -6.178 -5.157 339 HD23 LEU 43 2HD2 LEU 43 6.050 -6.390 -5.338 340 H GLU 44 H GLU 44 3.242 -4.527 -9.934 341 HA GLU 44 HA GLU 44 4.943 -2.409 -10.673 342 HB2 GLU 44 2HB GLU 44 2.286 -3.289 -11.824 343 HB3 GLU 44 3HB GLU 44 3.330 -2.092 -12.581 344 HG2 GLU 44 2HG GLU 44 4.072 -4.965 -12.032 345 HG3 GLU 44 3HG GLU 44 3.557 -4.317 -13.587 346 H CYS 45 H CYS 45 1.515 -2.336 -9.657 347 HA CYS 45 HA CYS 45 1.245 0.479 -9.796 348 HB2 CYS 45 2HB CYS 45 -0.306 -1.550 -8.176 349 HB3 CYS 45 3HB CYS 45 -0.772 0.139 -8.362 350 HG CYS 45 HG CYS 45 -1.357 -2.419 -10.356 351 H ALA 46 H ALA 46 2.263 -1.664 -7.165 352 HA ALA 46 HA ALA 46 2.344 0.224 -5.087 353 HB1 ALA 46 3HB ALA 46 3.936 -1.292 -3.998 354 HB2 ALA 46 1HB ALA 46 4.139 -2.168 -5.516 355 HB3 ALA 46 2HB ALA 46 2.577 -2.176 -4.694 356 H ASP 47 H ASP 47 4.738 -0.558 -7.587 357 HA ASP 47 HA ASP 47 6.838 1.063 -6.628 358 HB2 ASP 47 2HB ASP 47 6.966 -0.734 -8.416 359 HB3 ASP 47 3HB ASP 47 6.263 0.431 -9.532 360 H LEU 48 H LEU 48 3.983 1.807 -8.539 361 HA LEU 48 HA LEU 48 4.671 4.404 -9.379 362 HB2 LEU 48 2HB LEU 48 2.005 3.136 -8.771 363 HB3 LEU 48 3HB LEU 48 2.148 4.771 -9.389 364 HG LEU 48 HG LEU 48 3.143 2.292 -10.811 365 HD11 LEU 48 1HD1 LEU 48 1.272 2.696 -12.355 366 HD12 LEU 48 2HD1 LEU 48 0.696 3.993 -11.307 367 HD13 LEU 48 3HD1 LEU 48 0.714 2.328 -10.723 368 HD21 LEU 48 3HD2 LEU 48 4.455 4.269 -11.362 369 HD22 LEU 48 1HD2 LEU 48 2.981 5.178 -11.699 370 HD23 LEU 48 2HD2 LEU 48 3.433 3.814 -12.723 371 H LEU 49 H LEU 49 3.293 3.240 -6.331 372 HA LEU 49 HA LEU 49 2.759 5.800 -5.234 373 HB2 LEU 49 2HB LEU 49 3.119 3.076 -4.022 374 HB3 LEU 49 3HB LEU 49 2.960 4.488 -2.995 375 HG LEU 49 HG LEU 49 0.761 4.977 -4.024 376 HD11 LEU 49 1HD1 LEU 49 1.130 2.343 -5.444 377 HD12 LEU 49 2HD1 LEU 49 1.147 3.935 -6.201 378 HD13 LEU 49 3HD1 LEU 49 -0.328 3.335 -5.444 379 HD21 LEU 49 3HD2 LEU 49 -0.468 3.135 -2.968 380 HD22 LEU 49 1HD2 LEU 49 0.863 3.698 -1.956 381 HD23 LEU 49 2HD2 LEU 49 1.025 2.197 -2.869 382 H SER 50 H SER 50 5.598 3.643 -4.895 383 HA SER 50 HA SER 50 7.094 5.309 -3.196 384 HB2 SER 50 2HB SER 50 9.065 4.076 -3.914 385 HB3 SER 50 3HB SER 50 7.715 2.954 -3.751 386 HG SER 50 HG SER 50 8.781 2.534 -5.676 387 H SER 51 H SER 51 6.938 5.196 -6.740 388 HA SER 51 HA SER 51 8.779 7.264 -7.268 389 HB2 SER 51 2HB SER 51 8.031 5.757 -9.030 390 HB3 SER 51 3HB SER 51 6.376 6.348 -8.873 391 HG SER 51 HG SER 51 8.570 7.487 -10.128 392 H ALA 52 H ALA 52 5.238 7.384 -6.910 393 HA ALA 52 HA ALA 52 4.962 10.134 -7.494 394 HB1 ALA 52 3HB ALA 52 2.691 9.906 -6.636 395 HB2 ALA 52 1HB ALA 52 3.108 8.353 -5.911 396 HB3 ALA 52 2HB ALA 52 3.113 8.537 -7.664 397 H LEU 53 H LEU 53 5.351 8.416 -4.410 398 HA LEU 53 HA LEU 53 4.903 10.667 -2.739 399 HB2 LEU 53 2HB LEU 53 6.345 8.062 -2.241 400 HB3 LEU 53 3HB LEU 53 6.048 9.254 -0.989 401 HG LEU 53 HG LEU 53 3.889 7.835 -2.566 402 HD11 LEU 53 1HD1 LEU 53 4.835 7.379 0.263 403 HD12 LEU 53 2HD1 LEU 53 5.081 6.292 -1.106 404 HD13 LEU 53 3HD1 LEU 53 3.450 6.601 -0.508 405 HD21 LEU 53 3HD2 LEU 53 3.707 9.651 -0.158 406 HD22 LEU 53 1HD2 LEU 53 2.363 8.799 -0.919 407 HD23 LEU 53 2HD2 LEU 53 3.220 10.061 -1.803 408 H THR 54 H THR 54 7.525 9.960 -4.760 409 HA THR 54 HA THR 54 9.407 11.535 -3.130 410 HB THR 54 HB THR 54 11.169 10.802 -4.710 411 HG1 THR 54 HG1 THR 54 9.147 9.143 -5.853 412 HG21 THR 54 3HG2 THR 54 11.232 8.441 -4.043 413 HG22 THR 54 1HG2 THR 54 9.537 8.528 -3.566 414 HG23 THR 54 2HG2 THR 54 10.747 9.473 -2.698 415 H GLU 55 H GLU 55 7.116 12.187 -5.356 416 HA GLU 55 HA GLU 55 8.552 14.590 -6.290 417 HB2 GLU 55 2HB GLU 55 7.477 14.422 -8.490 418 HB3 GLU 55 3HB GLU 55 8.473 13.009 -8.169 419 HG2 GLU 55 2HG GLU 55 6.499 11.707 -7.622 420 HG3 GLU 55 3HG GLU 55 5.477 13.124 -7.858 421 HA PRO 56 HA PRO 56 4.968 16.856 -4.886 422 HB2 PRO 56 2HB PRO 56 5.145 18.479 -7.371 423 HB3 PRO 56 3HB PRO 56 5.201 18.995 -5.682 424 HG2 PRO 56 2HG PRO 56 7.409 18.971 -7.188 425 HG3 PRO 56 3HG PRO 56 7.461 18.525 -5.472 426 HD2 PRO 56 2HD PRO 56 7.507 16.757 -7.894 427 HD3 PRO 56 3HD PRO 56 8.413 16.610 -6.372 428 H VAL 57 H VAL 57 2.991 16.066 -4.989 429 HA VAL 57 HA VAL 57 1.540 15.915 -7.530 430 HB VAL 57 HB VAL 57 0.579 13.668 -6.785 431 HG11 VAL 57 1HG1 VAL 57 2.174 13.840 -8.638 432 HG12 VAL 57 2HG1 VAL 57 2.427 12.360 -7.714 433 HG13 VAL 57 3HG1 VAL 57 3.519 13.728 -7.500 434 HG21 VAL 57 3HG2 VAL 57 3.001 13.721 -4.976 435 HG22 VAL 57 1HG2 VAL 57 1.988 12.313 -5.285 436 HG23 VAL 57 2HG2 VAL 57 1.313 13.719 -4.465 437 HA PRO 58 HA PRO 58 -1.782 17.479 -4.976 438 HB2 PRO 58 2HB PRO 58 -3.984 16.575 -6.292 439 HB3 PRO 58 3HB PRO 58 -2.969 17.889 -6.895 440 HG2 PRO 58 2HG PRO 58 -3.005 15.004 -7.696 441 HG3 PRO 58 3HG PRO 58 -2.855 16.449 -8.714 442 HD2 PRO 58 2HD PRO 58 -0.725 14.902 -7.986 443 HD3 PRO 58 3HD PRO 58 -0.594 16.639 -8.327 444 H ASN 59 H ASN 59 -2.953 16.890 -3.209 445 HA ASN 59 HA ASN 59 -2.592 14.474 -1.936 446 HB2 ASN 59 2HB ASN 59 -3.274 16.457 -0.732 447 HB3 ASN 59 3HB ASN 59 -4.810 16.501 -1.589 448 HD21 ASN 59 1HD2 ASN 59 -2.965 14.917 0.891 449 HD22 ASN 59 2HD2 ASN 59 -4.292 14.078 1.606 450 H SER 60 H SER 60 -5.486 15.495 -3.751 451 HA SER 60 HA SER 60 -7.093 13.273 -3.266 452 HB2 SER 60 2HB SER 60 -7.012 14.984 -5.767 453 HB3 SER 60 3HB SER 60 -8.341 13.926 -5.292 454 HG SER 60 HG SER 60 -8.845 15.972 -4.596 455 H GLN 61 H GLN 61 -4.593 13.709 -5.727 456 HA GLN 61 HA GLN 61 -5.075 11.281 -7.126 457 HB2 GLN 61 2HB GLN 61 -3.798 13.115 -8.126 458 HB3 GLN 61 3HB GLN 61 -2.541 12.928 -6.909 459 HG2 GLN 61 2HG GLN 61 -2.045 10.685 -7.769 460 HG3 GLN 61 3HG GLN 61 -3.306 10.878 -8.987 461 HE21 GLN 61 1HE2 GLN 61 -0.437 10.431 -9.317 462 HE22 GLN 61 2HE2 GLN 61 0.142 11.747 -10.271 463 H LEU 62 H LEU 62 -2.812 12.138 -4.507 464 HA LEU 62 HA LEU 62 -1.518 9.683 -4.208 465 HB2 LEU 62 2HB LEU 62 -2.230 11.825 -2.210 466 HB3 LEU 62 3HB LEU 62 -1.307 10.405 -1.751 467 HG LEU 62 HG LEU 62 -0.452 12.385 -3.872 468 HD11 LEU 62 1HD1 LEU 62 -0.474 13.414 -1.648 469 HD12 LEU 62 2HD1 LEU 62 1.170 13.187 -2.243 470 HD13 LEU 62 3HD1 LEU 62 0.515 12.091 -1.025 471 HD21 LEU 62 3HD2 LEU 62 1.712 11.239 -3.710 472 HD22 LEU 62 1HD2 LEU 62 0.435 10.138 -4.228 473 HD23 LEU 62 2HD2 LEU 62 1.020 10.091 -2.564 474 H VAL 63 H VAL 63 -4.528 10.810 -2.682 475 HA VAL 63 HA VAL 63 -4.995 8.521 -1.108 476 HB VAL 63 HB VAL 63 -7.054 10.424 -2.258 477 HG11 VAL 63 1HG1 VAL 63 -8.085 8.374 -1.436 478 HG12 VAL 63 2HG1 VAL 63 -8.459 9.718 -0.356 479 HG13 VAL 63 3HG1 VAL 63 -7.231 8.534 0.099 480 HG21 VAL 63 3HG2 VAL 63 -5.589 10.518 0.385 481 HG22 VAL 63 1HG2 VAL 63 -6.867 11.622 -0.128 482 HG23 VAL 63 2HG2 VAL 63 -5.324 11.598 -0.984 483 H ASP 64 H ASP 64 -6.039 9.303 -4.427 484 HA ASP 64 HA ASP 64 -7.642 6.956 -4.726 485 HB2 ASP 64 2HB ASP 64 -8.054 8.944 -6.085 486 HB3 ASP 64 3HB ASP 64 -6.459 8.795 -6.819 487 H THR 65 H THR 65 -4.425 7.803 -6.076 488 HA THR 65 HA THR 65 -3.897 5.303 -7.249 489 HB THR 65 HB THR 65 -1.880 7.303 -6.182 490 HG1 THR 65 HG1 THR 65 -2.047 7.435 -8.803 491 HG21 THR 65 3HG2 THR 65 -0.873 5.099 -6.642 492 HG22 THR 65 1HG2 THR 65 -0.331 6.313 -7.803 493 HG23 THR 65 2HG2 THR 65 -1.554 5.132 -8.269 494 H GLY 66 H GLY 66 -3.395 6.452 -3.950 495 HA2 GLY 66 2HA GLY 66 -2.082 4.070 -3.035 496 HA3 GLY 66 3HA GLY 66 -2.840 5.295 -2.028 497 H HIS 67 H HIS 67 -5.437 5.123 -3.271 498 HA HIS 67 HA HIS 67 -6.582 3.144 -1.621 499 HB2 HIS 67 2HB HIS 67 -7.707 5.257 -2.289 500 HB3 HIS 67 3HB HIS 67 -7.885 4.621 -3.920 501 HD1 HIS 67 HD1 HIS 67 -10.193 3.826 -4.292 502 HD2 HIS 67 HD2 HIS 67 -8.962 3.185 -0.374 503 HE1 HIS 67 HE1 HIS 67 -12.136 2.720 -3.150 504 HE2 HIS 67 HE2 HIS 67 -11.330 2.237 -0.818 505 H GLN 68 H GLN 68 -5.748 3.108 -5.066 506 HA GLN 68 HA GLN 68 -7.213 0.776 -5.733 507 HB2 GLN 68 2HB GLN 68 -5.735 0.574 -7.693 508 HB3 GLN 68 3HB GLN 68 -6.346 2.208 -7.494 509 HG2 GLN 68 2HG GLN 68 -4.235 2.951 -6.622 510 HG3 GLN 68 3HG GLN 68 -3.612 1.305 -6.615 511 HE21 GLN 68 1HE2 GLN 68 -4.754 0.619 -9.195 512 HE22 GLN 68 2HE2 GLN 68 -3.822 1.458 -10.376 513 H LEU 69 H LEU 69 -4.066 1.223 -4.226 514 HA LEU 69 HA LEU 69 -3.166 -1.441 -4.402 515 HB2 LEU 69 2HB LEU 69 -2.528 0.893 -2.676 516 HB3 LEU 69 3HB LEU 69 -2.046 -0.680 -2.074 517 HG LEU 69 HG LEU 69 -0.241 0.486 -3.318 518 HD11 LEU 69 1HD1 LEU 69 0.426 -1.409 -4.697 519 HD12 LEU 69 2HD1 LEU 69 -1.219 -2.043 -4.643 520 HD13 LEU 69 3HD1 LEU 69 -0.257 -1.954 -3.166 521 HD21 LEU 69 3HD2 LEU 69 -1.653 1.655 -4.948 522 HD22 LEU 69 1HD2 LEU 69 -2.034 0.115 -5.719 523 HD23 LEU 69 2HD2 LEU 69 -0.378 0.725 -5.735 524 H LEU 70 H LEU 70 -5.403 0.113 -2.153 525 HA LEU 70 HA LEU 70 -5.758 -2.102 -0.428 526 HB2 LEU 70 2HB LEU 70 -7.453 0.271 -1.142 527 HB3 LEU 70 3HB LEU 70 -8.138 -1.018 -0.174 528 HG LEU 70 HG LEU 70 -7.347 0.797 1.244 529 HD11 LEU 70 1HD1 LEU 70 -7.261 -1.446 2.150 530 HD12 LEU 70 2HD1 LEU 70 -5.903 -0.497 2.750 531 HD13 LEU 70 3HD1 LEU 70 -5.651 -1.685 1.473 532 HD21 LEU 70 3HD2 LEU 70 -4.604 0.251 0.106 533 HD22 LEU 70 1HD2 LEU 70 -4.985 1.368 1.416 534 HD23 LEU 70 2HD2 LEU 70 -5.586 1.681 -0.213 535 H ASP 71 H ASP 71 -7.230 -1.250 -3.519 536 HA ASP 71 HA ASP 71 -9.142 -3.316 -3.661 537 HB2 ASP 71 2HB ASP 71 -9.139 -1.377 -5.171 538 HB3 ASP 71 3HB ASP 71 -7.622 -1.911 -5.882 539 H TYR 72 H TYR 72 -5.833 -3.157 -4.998 540 HA TYR 72 HA TYR 72 -5.705 -5.804 -5.929 541 HB2 TYR 72 2HB TYR 72 -3.413 -4.069 -4.974 542 HB3 TYR 72 3HB TYR 72 -3.265 -5.500 -5.986 543 HD1 TYR 72 HD2 TYR 72 -5.027 -5.317 -8.119 544 HD2 TYR 72 HD1 TYR 72 -3.116 -2.085 -6.114 545 HE1 TYR 72 HE2 TYR 72 -5.305 -3.919 -10.118 546 HE2 TYR 72 HE1 TYR 72 -3.390 -0.679 -8.110 547 HH TYR 72 HH TYR 72 -5.423 -1.507 -10.674 548 H CYS 73 H CYS 73 -4.646 -4.441 -2.816 549 HA CYS 73 HA CYS 73 -3.596 -6.839 -1.759 550 HB2 CYS 73 2HB CYS 73 -4.667 -4.382 -0.356 551 HB3 CYS 73 3HB CYS 73 -3.834 -5.697 0.466 552 HG CYS 73 HG CYS 73 -2.465 -3.646 -1.916 553 H SER 74 H SER 74 -6.814 -5.345 -1.367 554 HA SER 74 HA SER 74 -7.860 -7.219 0.449 555 HB2 SER 74 2HB SER 74 -8.905 -5.008 -0.033 556 HB3 SER 74 3HB SER 74 -9.418 -5.617 -1.605 557 HG SER 74 HG SER 74 -10.395 -7.386 -0.153 558 H GLY 75 H GLY 75 -7.532 -7.353 -3.038 559 HA2 GLY 75 2HA GLY 75 -9.172 -9.757 -3.253 560 HA3 GLY 75 3HA GLY 75 -8.307 -8.963 -4.558 561 H TYR 76 H TYR 76 -5.724 -8.935 -3.501 562 HA TYR 76 HA TYR 76 -4.867 -11.514 -4.306 563 HB2 TYR 76 2HB TYR 76 -3.619 -9.360 -4.657 564 HB3 TYR 76 3HB TYR 76 -3.214 -9.376 -2.945 565 HD1 TYR 76 HD2 TYR 76 -2.783 -11.246 -6.125 566 HD2 TYR 76 HD1 TYR 76 -1.361 -10.645 -2.157 567 HE1 TYR 76 HE2 TYR 76 -0.807 -12.616 -6.630 568 HE2 TYR 76 HE1 TYR 76 0.622 -12.010 -2.656 569 HH TYR 76 HH TYR 76 1.255 -13.831 -4.288 570 H VAL 77 H VAL 77 -5.235 -10.018 -1.126 571 HA VAL 77 HA VAL 77 -3.705 -11.749 0.425 572 HB VAL 77 HB VAL 77 -4.713 -9.663 1.275 573 HG11 VAL 77 1HG1 VAL 77 -7.037 -9.631 2.054 574 HG12 VAL 77 2HG1 VAL 77 -7.297 -11.226 1.345 575 HG13 VAL 77 3HG1 VAL 77 -6.936 -9.845 0.305 576 HG21 VAL 77 3HG2 VAL 77 -3.846 -11.322 2.854 577 HG22 VAL 77 1HG2 VAL 77 -5.430 -12.099 2.921 578 HG23 VAL 77 2HG2 VAL 77 -5.223 -10.456 3.535 579 H ASP 78 H ASP 78 -6.887 -12.257 -0.953 580 HA ASP 78 HA ASP 78 -7.644 -14.509 0.591 581 HB2 ASP 78 2HB ASP 78 -9.241 -13.181 -0.723 582 HB3 ASP 78 3HB ASP 78 -8.467 -13.707 -2.215 583 H CYS 79 H CYS 79 -5.661 -14.156 -2.292 584 HA CYS 79 HA CYS 79 -5.605 -17.040 -2.779 585 HB2 CYS 79 2HB CYS 79 -4.345 -14.755 -4.314 586 HB3 CYS 79 3HB CYS 79 -4.306 -16.445 -4.804 587 HG CYS 79 HG CYS 79 -6.166 -15.007 -6.365 588 H ILE 80 H ILE 80 -3.844 -14.919 -0.879 589 HA ILE 80 HA ILE 80 -1.182 -15.747 -1.302 590 HB ILE 80 HB ILE 80 -2.531 -14.651 1.169 591 HG12 ILE 80 2HG1 ILE 80 -0.683 -13.407 -0.890 592 HG13 ILE 80 3HG1 ILE 80 -2.409 -13.106 -0.726 593 HG21 ILE 80 1HG2 ILE 80 -0.268 -14.236 2.071 594 HG22 ILE 80 2HG2 ILE 80 0.418 -15.154 0.730 595 HG23 ILE 80 3HG2 ILE 80 -0.623 -15.956 1.907 596 HD11 ILE 80 3HD1 ILE 80 -0.283 -12.386 1.278 597 HD12 ILE 80 1HD1 ILE 80 -2.011 -12.102 1.469 598 HD13 ILE 80 2HD1 ILE 80 -1.121 -11.280 0.190 599 HA PRO 81 HA PRO 81 -1.729 -19.948 0.246 600 HB2 PRO 81 2HB PRO 81 0.738 -20.870 -0.394 601 HB3 PRO 81 3HB PRO 81 -0.525 -20.611 -1.603 602 HG2 PRO 81 2HG PRO 81 1.792 -18.851 -0.879 603 HG3 PRO 81 3HG PRO 81 1.174 -19.282 -2.485 604 HD2 PRO 81 2HD PRO 81 0.594 -16.917 -1.264 605 HD3 PRO 81 3HD PRO 81 -0.521 -17.716 -2.391 606 H GLN 82 H GLN 82 1.079 -17.942 1.131 607 HA GLN 82 HA GLN 82 1.645 -19.630 3.459 608 HB2 GLN 82 2HB GLN 82 3.113 -17.182 2.451 609 HB3 GLN 82 3HB GLN 82 3.660 -18.264 3.724 610 HG2 GLN 82 2HG GLN 82 3.787 -20.093 2.072 611 HG3 GLN 82 3HG GLN 82 3.327 -18.951 0.807 612 HE21 GLN 82 1HE2 GLN 82 4.810 -17.373 0.162 613 HE22 GLN 82 2HE2 GLN 82 6.486 -17.471 0.561 614 H THR 83 H THR 83 0.736 -19.183 5.395 615 HA THR 83 HA THR 83 -0.681 -16.800 5.959 616 HB THR 83 HB THR 83 0.408 -18.830 7.930 617 HG1 THR 83 HG1 THR 83 -2.234 -18.973 7.596 618 HG21 THR 83 3HG2 THR 83 -1.750 -16.731 8.269 619 HG22 THR 83 1HG2 THR 83 -0.161 -16.721 9.037 620 HG23 THR 83 2HG2 THR 83 -1.331 -17.973 9.450 621 H ARG 84 H ARG 84 2.641 -17.801 6.740 622 HA ARG 84 HA ARG 84 3.444 -15.739 8.408 623 HB2 ARG 84 2HB ARG 84 5.069 -16.988 6.176 624 HB3 ARG 84 3HB ARG 84 5.729 -16.052 7.510 625 HG2 ARG 84 2HG ARG 84 4.305 -18.700 7.710 626 HG3 ARG 84 3HG ARG 84 6.034 -18.417 7.906 627 HD2 ARG 84 2HD ARG 84 5.561 -17.004 9.872 628 HD3 ARG 84 3HD ARG 84 3.839 -17.336 9.682 629 HE ARG 84 HE ARG 84 5.301 -19.752 9.876 630 HH11 ARG 84 1HH1 ARG 84 4.149 -17.132 11.796 631 HH12 ARG 84 2HH1 ARG 84 4.113 -18.076 13.249 632 HH21 ARG 84 1HH2 ARG 84 5.229 -20.948 11.732 633 HH22 ARG 84 2HH2 ARG 84 4.691 -20.220 13.206 634 H ASN 85 H ASN 85 3.278 -15.710 4.858 635 HA ASN 85 HA ASN 85 4.130 -12.996 4.586 636 HB2 ASN 85 2HB ASN 85 2.545 -14.711 2.654 637 HB3 ASN 85 3HB ASN 85 3.317 -13.178 2.265 638 HD21 ASN 85 1HD2 ASN 85 4.713 -13.949 0.758 639 HD22 ASN 85 2HD2 ASN 85 5.994 -15.050 1.112 640 H LYS 86 H LYS 86 0.956 -14.596 4.564 641 HA LYS 86 HA LYS 86 -0.623 -12.395 3.912 642 HB2 LYS 86 2HB LYS 86 -1.341 -14.799 3.964 643 HB3 LYS 86 3HB LYS 86 -1.432 -14.688 5.715 644 HG2 LYS 86 2HG LYS 86 -3.161 -12.976 5.535 645 HG3 LYS 86 3HG LYS 86 -3.054 -13.039 3.774 646 HD2 LYS 86 2HD LYS 86 -3.834 -15.353 5.558 647 HD3 LYS 86 3HD LYS 86 -4.964 -14.335 4.666 648 HE2 LYS 86 2HE LYS 86 -3.934 -15.055 2.556 649 HE3 LYS 86 3HE LYS 86 -2.813 -16.077 3.455 650 HZ1 LYS 86 3HZ LYS 86 -4.709 -17.328 4.294 651 HZ2 LYS 86 1HZ LYS 86 -4.665 -17.358 2.605 652 HZ3 LYS 86 2HZ LYS 86 -5.769 -16.359 3.406 653 H PHE 87 H PHE 87 0.539 -13.450 7.086 654 HA PHE 87 HA PHE 87 -0.994 -11.717 8.695 655 HB2 PHE 87 2HB PHE 87 0.341 -13.683 9.499 656 HB3 PHE 87 3HB PHE 87 1.804 -12.740 9.247 657 HD1 PHE 87 HD2 PHE 87 -1.322 -12.929 11.216 658 HD2 PHE 87 HD1 PHE 87 2.549 -11.183 10.868 659 HE1 PHE 87 HE2 PHE 87 -1.527 -12.019 13.493 660 HE2 PHE 87 HE1 PHE 87 2.349 -10.277 13.145 661 HZ PHE 87 HZ PHE 87 0.310 -10.694 14.461 662 H ALA 88 H ALA 88 2.378 -11.338 7.562 663 HA ALA 88 HA ALA 88 2.709 -8.680 8.466 664 HB1 ALA 88 3HB ALA 88 4.694 -8.627 7.053 665 HB2 ALA 88 1HB ALA 88 4.154 -10.084 6.215 666 HB3 ALA 88 2HB ALA 88 4.595 -10.161 7.921 667 H PHE 89 H PHE 89 1.620 -10.017 5.387 668 HA PHE 89 HA PHE 89 1.486 -7.676 3.864 669 HB2 PHE 89 2HB PHE 89 1.224 -9.999 2.989 670 HB3 PHE 89 3HB PHE 89 -0.367 -10.075 3.730 671 HD1 PHE 89 HD2 PHE 89 1.639 -8.498 1.074 672 HD2 PHE 89 HD1 PHE 89 -2.266 -9.029 2.704 673 HE1 PHE 89 HE2 PHE 89 0.655 -7.558 -0.976 674 HE2 PHE 89 HE1 PHE 89 -3.250 -8.094 0.652 675 HZ PHE 89 HZ PHE 89 -1.789 -7.359 -1.188 676 H ARG 90 H ARG 90 -1.065 -9.243 5.799 677 HA ARG 90 HA ARG 90 -3.066 -7.332 5.389 678 HB2 ARG 90 2HB ARG 90 -2.664 -9.656 7.053 679 HB3 ARG 90 3HB ARG 90 -3.432 -8.388 7.992 680 HG2 ARG 90 2HG ARG 90 -4.494 -9.184 5.296 681 HG3 ARG 90 3HG ARG 90 -4.920 -10.076 6.756 682 HD2 ARG 90 2HD ARG 90 -6.634 -8.440 6.294 683 HD3 ARG 90 3HD ARG 90 -5.771 -7.979 7.758 684 HE ARG 90 HE ARG 90 -4.840 -6.727 5.321 685 HH11 ARG 90 1HH1 ARG 90 -6.953 -6.487 8.035 686 HH12 ARG 90 2HH1 ARG 90 -7.107 -4.769 7.903 687 HH21 ARG 90 1HH2 ARG 90 -5.066 -4.522 5.156 688 HH22 ARG 90 2HH2 ARG 90 -6.060 -3.668 6.278 689 H GLU 91 H GLU 91 -0.701 -7.570 8.069 690 HA GLU 91 HA GLU 91 -1.697 -5.314 9.456 691 HB2 GLU 91 2HB GLU 91 0.119 -5.527 10.917 692 HB3 GLU 91 3HB GLU 91 -0.181 -7.164 10.361 693 HG2 GLU 91 2HG GLU 91 1.978 -7.316 9.874 694 HG3 GLU 91 3HG GLU 91 1.718 -6.150 8.581 695 H ALA 92 H ALA 92 0.940 -5.611 7.071 696 HA ALA 92 HA ALA 92 1.822 -2.943 7.129 697 HB1 ALA 92 3HB ALA 92 2.804 -3.385 4.946 698 HB2 ALA 92 1HB ALA 92 1.805 -4.828 4.767 699 HB3 ALA 92 2HB ALA 92 3.048 -4.766 6.016 700 H VAL 93 H VAL 93 -0.679 -4.492 5.111 701 HA VAL 93 HA VAL 93 -1.497 -2.203 3.692 702 HB VAL 93 HB VAL 93 -3.093 -4.653 4.496 703 HG11 VAL 93 1HG1 VAL 93 -4.683 -4.023 2.735 704 HG12 VAL 93 2HG1 VAL 93 -3.803 -2.516 2.478 705 HG13 VAL 93 3HG1 VAL 93 -4.621 -2.809 4.013 706 HG21 VAL 93 3HG2 VAL 93 -1.164 -5.117 3.057 707 HG22 VAL 93 1HG2 VAL 93 -1.731 -3.917 1.897 708 HG23 VAL 93 2HG2 VAL 93 -2.677 -5.377 2.190 709 H SER 94 H SER 94 -2.433 -3.420 6.891 710 HA SER 94 HA SER 94 -4.540 -1.678 7.457 711 HB2 SER 94 2HB SER 94 -2.452 -2.776 9.361 712 HB3 SER 94 3HB SER 94 -3.964 -2.012 9.856 713 HG SER 94 HG SER 94 -5.087 -3.680 8.788 714 H LYS 95 H LYS 95 -1.039 -1.160 7.825 715 HA LYS 95 HA LYS 95 -1.186 1.459 8.886 716 HB2 LYS 95 2HB LYS 95 0.942 0.017 7.310 717 HB3 LYS 95 3HB LYS 95 1.134 1.706 7.749 718 HG2 LYS 95 2HG LYS 95 2.298 0.301 9.326 719 HG3 LYS 95 3HG LYS 95 0.947 1.107 10.123 720 HD2 LYS 95 2HD LYS 95 -0.375 -0.914 10.027 721 HD3 LYS 95 3HD LYS 95 0.869 -1.725 9.074 722 HE2 LYS 95 2HE LYS 95 1.245 -0.704 11.891 723 HE3 LYS 95 3HE LYS 95 0.882 -2.376 11.464 724 HZ1 LYS 95 3HZ LYS 95 3.293 -0.878 10.579 725 HZ2 LYS 95 1HZ LYS 95 2.949 -2.504 10.254 726 HZ3 LYS 95 2HZ LYS 95 3.251 -2.006 11.842 727 H LEU 96 H LEU 96 -0.998 0.287 5.543 728 HA LEU 96 HA LEU 96 -0.795 2.738 4.229 729 HB2 LEU 96 2HB LEU 96 -0.464 0.535 3.175 730 HB3 LEU 96 3HB LEU 96 -2.184 0.221 3.294 731 HG LEU 96 HG LEU 96 -2.615 2.129 1.753 732 HD11 LEU 96 1HD1 LEU 96 -0.729 3.056 0.467 733 HD12 LEU 96 2HD1 LEU 96 0.396 2.202 1.524 734 HD13 LEU 96 3HD1 LEU 96 -0.645 3.468 2.178 735 HD21 LEU 96 3HD2 LEU 96 -0.742 0.009 0.681 736 HD22 LEU 96 1HD2 LEU 96 -1.843 1.001 -0.280 737 HD23 LEU 96 2HD2 LEU 96 -2.488 -0.152 0.887 738 H GLU 97 H GLU 97 -3.786 0.882 4.956 739 HA GLU 97 HA GLU 97 -5.547 2.803 3.848 740 HB2 GLU 97 2HB GLU 97 -7.337 1.603 5.058 741 HB3 GLU 97 3HB GLU 97 -6.283 0.521 4.163 742 HG2 GLU 97 2HG GLU 97 -5.107 -0.042 6.241 743 HG3 GLU 97 3HG GLU 97 -6.190 1.023 7.134 744 H LEU 98 H LEU 98 -4.448 2.310 7.202 745 HA LEU 98 HA LEU 98 -6.039 4.321 8.382 746 HB2 LEU 98 2HB LEU 98 -3.384 3.154 9.221 747 HB3 LEU 98 3HB LEU 98 -4.288 4.291 10.206 748 HG LEU 98 HG LEU 98 -5.276 1.560 9.353 749 HD11 LEU 98 1HD1 LEU 98 -4.280 2.527 12.035 750 HD12 LEU 98 2HD1 LEU 98 -3.449 1.404 10.959 751 HD13 LEU 98 3HD1 LEU 98 -4.980 0.943 11.700 752 HD21 LEU 98 3HD2 LEU 98 -7.106 3.144 9.631 753 HD22 LEU 98 1HD2 LEU 98 -6.489 3.606 11.220 754 HD23 LEU 98 2HD2 LEU 98 -7.097 1.972 10.949 755 H SER 99 H SER 99 -2.813 4.449 6.934 756 HA SER 99 HA SER 99 -2.306 7.162 7.658 757 HB2 SER 99 2HB SER 99 -0.504 5.550 7.121 758 HB3 SER 99 3HB SER 99 -1.045 5.523 5.442 759 HG SER 99 HG SER 99 0.171 7.611 6.894 760 H LEU 100 H LEU 100 -3.604 5.620 4.735 761 HA LEU 100 HA LEU 100 -3.789 7.931 3.135 762 HB2 LEU 100 2HB LEU 100 -5.353 5.354 3.132 763 HB3 LEU 100 3HB LEU 100 -5.631 6.618 1.947 764 HG LEU 100 HG LEU 100 -2.974 5.223 2.348 765 HD11 LEU 100 1HD1 LEU 100 -4.654 3.653 1.519 766 HD12 LEU 100 2HD1 LEU 100 -3.475 4.038 0.266 767 HD13 LEU 100 3HD1 LEU 100 -5.079 4.774 0.226 768 HD21 LEU 100 3HD2 LEU 100 -2.400 6.265 0.202 769 HD22 LEU 100 1HD2 LEU 100 -2.772 7.475 1.429 770 HD23 LEU 100 2HD2 LEU 100 -3.961 7.086 0.184 771 H GLN 101 H GLN 101 -6.110 6.539 5.459 772 HA GLN 101 HA GLN 101 -8.197 8.372 4.796 773 HB2 GLN 101 2HB GLN 101 -9.384 7.517 6.733 774 HB3 GLN 101 3HB GLN 101 -8.683 6.196 5.811 775 HG2 GLN 101 2HG GLN 101 -6.907 5.954 7.434 776 HG3 GLN 101 3HG GLN 101 -7.494 7.354 8.331 777 HE21 GLN 101 1HE2 GLN 101 -9.394 7.168 9.529 778 HE22 GLN 101 2HE2 GLN 101 -10.061 5.634 9.958 779 H GLU 102 H GLU 102 -5.629 8.441 7.253 780 HA GLU 102 HA GLU 102 -6.655 10.849 8.461 781 HB2 GLU 102 2HB GLU 102 -4.575 10.916 9.738 782 HB3 GLU 102 3HB GLU 102 -5.303 9.318 9.799 783 HG2 GLU 102 2HG GLU 102 -3.696 8.465 8.222 784 HG3 GLU 102 3HG GLU 102 -3.031 10.075 7.968 785 H LEU 103 H LEU 103 -4.252 10.109 5.979 786 HA LEU 103 HA LEU 103 -3.042 12.612 5.732 787 HB2 LEU 103 2HB LEU 103 -2.243 10.607 4.573 788 HB3 LEU 103 3HB LEU 103 -3.677 10.600 3.564 789 HG LEU 103 HG LEU 103 -2.967 12.749 2.555 790 HD11 LEU 103 1HD1 LEU 103 -0.483 12.374 4.231 791 HD12 LEU 103 2HD1 LEU 103 -1.682 13.657 4.405 792 HD13 LEU 103 3HD1 LEU 103 -0.687 13.572 2.951 793 HD21 LEU 103 3HD2 LEU 103 -0.858 10.590 2.419 794 HD22 LEU 103 1HD2 LEU 103 -1.133 11.861 1.226 795 HD23 LEU 103 2HD2 LEU 103 -2.360 10.624 1.492 796 H GLN 104 H GLN 104 -5.872 11.363 3.952 797 HA GLN 104 HA GLN 104 -6.330 13.630 2.381 798 HB2 GLN 104 2HB GLN 104 -8.601 12.709 2.041 799 HB3 GLN 104 3HB GLN 104 -7.340 11.498 1.855 800 HG2 GLN 104 2HG GLN 104 -7.801 10.737 4.177 801 HG3 GLN 104 3HG GLN 104 -9.147 11.874 4.238 802 HE21 GLN 104 1HE2 GLN 104 -7.953 8.919 2.854 803 HE22 GLN 104 2HE2 GLN 104 -9.471 8.362 2.250 804 H VAL 105 H VAL 105 -7.085 13.148 5.747 805 HA VAL 105 HA VAL 105 -8.856 15.513 5.717 806 HB VAL 105 HB VAL 105 -9.696 14.799 7.896 807 HG11 VAL 105 1HG1 VAL 105 -10.829 13.990 5.902 808 HG12 VAL 105 2HG1 VAL 105 -10.889 12.776 7.182 809 HG13 VAL 105 3HG1 VAL 105 -9.759 12.587 5.839 810 HG21 VAL 105 3HG2 VAL 105 -7.701 13.723 8.789 811 HG22 VAL 105 1HG2 VAL 105 -7.835 12.434 7.592 812 HG23 VAL 105 2HG2 VAL 105 -9.069 12.611 8.841 813 H SER 106 H SER 106 -5.755 14.433 6.826 814 HA SER 106 HA SER 106 -5.519 16.822 8.561 815 HB2 SER 106 2HB SER 106 -4.115 14.157 8.894 816 HB3 SER 106 3HB SER 106 -3.890 15.570 9.923 817 HG SER 106 HG SER 106 -6.287 15.376 10.243 818 H SER 107 H SER 107 -4.617 15.959 5.597 819 HA SER 107 HA SER 107 -1.790 16.311 5.603 820 HB2 SER 107 2HB SER 107 -2.996 15.268 3.704 821 HB3 SER 107 3HB SER 107 -3.718 16.831 3.323 822 HG SER 107 HG SER 107 -1.926 17.407 2.373 823 H ALA 108 H ALA 108 -4.469 18.588 5.196 824 HA ALA 108 HA ALA 108 -4.600 20.855 5.179 825 HB1 ALA 108 3HB ALA 108 -2.882 22.185 6.276 826 HB2 ALA 108 1HB ALA 108 -1.779 20.810 6.258 827 HB3 ALA 108 2HB ALA 108 -3.251 20.747 7.227 828 H ALA 109 H ALA 109 -1.194 20.259 4.280 829 HA ALA 109 HA ALA 109 -1.092 22.040 2.119 830 HB1 ALA 109 3HB ALA 109 0.937 20.810 1.468 831 HB2 ALA 109 1HB ALA 109 0.518 19.532 2.615 832 HB3 ALA 109 2HB ALA 109 0.900 21.153 3.198 833 H ALA 110 H ALA 110 -1.875 21.926 0.094 834 HA ALA 110 HA ALA 110 -3.552 19.826 -0.782 835 HB1 ALA 110 3HB ALA 110 -2.314 22.056 -2.397 836 HB2 ALA 110 1HB ALA 110 -3.838 22.139 -1.513 837 HB3 ALA 110 2HB ALA 110 -3.676 21.051 -2.892 838 H GLY 111 H GLY 111 -0.165 20.602 -1.564 839 HA2 GLY 111 2HA GLY 111 0.421 17.891 -2.192 840 HA3 GLY 111 3HA GLY 111 0.227 18.816 -3.670 841 H VAL 112 H VAL 112 1.875 19.279 -0.521 842 HA VAL 112 HA VAL 112 4.181 20.406 -1.937 843 HB VAL 112 HB VAL 112 3.655 20.231 1.042 844 HG11 VAL 112 1HG1 VAL 112 6.038 20.341 0.560 845 HG12 VAL 112 2HG1 VAL 112 5.481 21.864 1.254 846 HG13 VAL 112 3HG1 VAL 112 5.782 21.744 -0.480 847 HG21 VAL 112 3HG2 VAL 112 2.038 21.680 -0.091 848 HG22 VAL 112 1HG2 VAL 112 3.359 22.584 -0.834 849 HG23 VAL 112 2HG2 VAL 112 3.140 22.621 0.916 850 HA PRO 113 HA PRO 113 6.197 16.417 -1.850 851 HB2 PRO 113 2HB PRO 113 8.741 17.269 -2.426 852 HB3 PRO 113 3HB PRO 113 7.460 17.104 -3.634 853 HG2 PRO 113 2HG PRO 113 8.379 19.567 -2.181 854 HG3 PRO 113 3HG PRO 113 8.023 19.358 -3.907 855 HD2 PRO 113 2HD PRO 113 6.249 20.498 -2.249 856 HD3 PRO 113 3HD PRO 113 5.719 19.429 -3.565 857 H GLY 114 H GLY 114 6.678 15.316 -0.055 858 HA2 GLY 114 2HA GLY 114 7.667 14.659 1.905 859 HA3 GLY 114 3HA GLY 114 9.005 15.700 1.456 860 H THR 115 H THR 115 5.804 17.042 1.973 861 HA THR 115 HA THR 115 6.798 18.732 4.075 862 HB THR 115 HB THR 115 5.153 19.650 2.548 863 HG1 THR 115 HG1 THR 115 5.098 19.960 5.092 864 HG21 THR 115 3HG2 THR 115 3.885 17.607 2.042 865 HG22 THR 115 1HG2 THR 115 2.816 18.919 2.539 866 HG23 THR 115 2HG2 THR 115 3.206 17.624 3.669 867 H ASN 116 H ASN 116 4.365 16.115 4.006 868 HA ASN 116 HA ASN 116 4.274 16.186 6.947 869 HB2 ASN 116 2HB ASN 116 2.340 15.014 4.929 870 HB3 ASN 116 3HB ASN 116 2.157 14.883 6.677 871 HD21 ASN 116 1HD2 ASN 116 0.483 16.212 4.624 872 HD22 ASN 116 2HD2 ASN 116 0.315 17.836 5.180 873 HA PRO 117 HA PRO 117 6.641 12.384 7.203 874 HB2 PRO 117 2HB PRO 117 5.590 11.555 9.647 875 HB3 PRO 117 3HB PRO 117 6.944 12.673 9.450 876 HG2 PRO 117 2HG PRO 117 4.050 13.267 9.936 877 HG3 PRO 117 3HG PRO 117 5.486 14.036 10.638 878 HD2 PRO 117 2HD PRO 117 4.117 15.227 8.679 879 HD3 PRO 117 3HD PRO 117 5.893 15.308 8.721 880 H VAL 118 H VAL 118 3.167 12.550 7.375 881 HA VAL 118 HA VAL 118 2.401 9.889 7.377 882 HB VAL 118 HB VAL 118 1.168 12.085 5.688 883 HG11 VAL 118 1HG1 VAL 118 0.365 9.856 5.086 884 HG12 VAL 118 2HG1 VAL 118 -0.899 10.791 5.883 885 HG13 VAL 118 3HG1 VAL 118 -0.037 9.536 6.775 886 HG21 VAL 118 3HG2 VAL 118 0.567 11.298 8.544 887 HG22 VAL 118 1HG2 VAL 118 -0.319 12.488 7.592 888 HG23 VAL 118 2HG2 VAL 118 1.365 12.782 8.023 889 H LEU 119 H LEU 119 3.587 11.849 4.661 890 HA LEU 119 HA LEU 119 3.225 9.961 2.600 891 HB2 LEU 119 2HB LEU 119 5.406 12.046 2.843 892 HB3 LEU 119 3HB LEU 119 4.900 11.250 1.365 893 HG LEU 119 HG LEU 119 3.195 13.128 3.013 894 HD11 LEU 119 1HD1 LEU 119 5.012 14.290 1.869 895 HD12 LEU 119 2HD1 LEU 119 3.451 14.678 1.146 896 HD13 LEU 119 3HD1 LEU 119 4.538 13.544 0.342 897 HD21 LEU 119 3HD2 LEU 119 1.837 11.447 1.893 898 HD22 LEU 119 1HD2 LEU 119 2.643 11.791 0.361 899 HD23 LEU 119 2HD2 LEU 119 1.631 13.018 1.122 900 H ASN 120 H ASN 120 5.935 10.536 4.811 901 HA ASN 120 HA ASN 120 7.713 8.592 3.802 902 HB2 ASN 120 2HB ASN 120 8.462 10.344 5.327 903 HB3 ASN 120 3HB ASN 120 7.417 9.725 6.599 904 HD21 ASN 120 1HD2 ASN 120 8.042 7.948 7.757 905 HD22 ASN 120 2HD2 ASN 120 9.623 7.262 7.652 906 H ASN 121 H ASN 121 5.173 8.407 6.280 907 HA ASN 121 HA ASN 121 5.531 5.735 7.066 908 HB2 ASN 121 2HB ASN 121 2.945 7.307 6.883 909 HB3 ASN 121 3HB ASN 121 3.175 5.822 7.805 910 HD21 ASN 121 1HD2 ASN 121 2.419 8.518 8.689 911 HD22 ASN 121 2HD2 ASN 121 3.595 8.959 9.879 912 H LEU 122 H LEU 122 3.355 7.072 4.568 913 HA LEU 122 HA LEU 122 2.359 4.709 3.512 914 HB2 LEU 122 2HB LEU 122 3.049 7.300 2.118 915 HB3 LEU 122 3HB LEU 122 2.173 5.994 1.343 916 HG LEU 122 HG LEU 122 1.216 7.508 3.785 917 HD11 LEU 122 1HD1 LEU 122 -0.439 8.489 2.259 918 HD12 LEU 122 2HD1 LEU 122 0.345 7.685 0.898 919 HD13 LEU 122 3HD1 LEU 122 1.207 8.928 1.805 920 HD21 LEU 122 3HD2 LEU 122 -0.900 6.346 3.395 921 HD22 LEU 122 1HD2 LEU 122 0.404 5.200 3.706 922 HD23 LEU 122 2HD2 LEU 122 -0.174 5.454 2.060 923 H LEU 123 H LEU 123 5.302 6.459 2.508 924 HA LEU 123 HA LEU 123 6.177 4.771 0.493 925 HB2 LEU 123 2HB LEU 123 7.169 6.963 1.040 926 HB3 LEU 123 3HB LEU 123 7.871 6.281 2.493 927 HG LEU 123 HG LEU 123 9.279 4.792 1.115 928 HD11 LEU 123 1HD1 LEU 123 7.816 4.562 -0.822 929 HD12 LEU 123 2HD1 LEU 123 9.415 5.123 -1.308 930 HD13 LEU 123 3HD1 LEU 123 8.067 6.259 -1.231 931 HD21 LEU 123 3HD2 LEU 123 10.784 6.512 0.239 932 HD22 LEU 123 1HD2 LEU 123 10.151 6.967 1.820 933 HD23 LEU 123 2HD2 LEU 123 9.497 7.713 0.360 934 H SER 124 H SER 124 7.058 4.602 3.957 935 HA SER 124 HA SER 124 8.639 2.284 3.826 936 HB2 SER 124 2HB SER 124 8.643 3.728 5.801 937 HB3 SER 124 3HB SER 124 6.962 3.314 6.134 938 HG SER 124 HG SER 124 8.411 1.058 5.911 939 H CYS 125 H CYS 125 5.157 2.637 4.458 940 HA CYS 125 HA CYS 125 4.623 -0.080 4.980 941 HB2 CYS 125 2HB CYS 125 2.756 2.035 3.883 942 HB3 CYS 125 3HB CYS 125 2.261 0.494 4.577 943 HG CYS 125 HG CYS 125 3.515 1.182 7.104 944 H VAL 126 H VAL 126 4.312 1.772 1.944 945 HA VAL 126 HA VAL 126 3.369 -0.328 0.336 946 HB VAL 126 HB VAL 126 5.041 2.064 -0.475 947 HG11 VAL 126 1HG1 VAL 126 3.370 0.204 -2.181 948 HG12 VAL 126 2HG1 VAL 126 5.127 0.360 -2.210 949 HG13 VAL 126 3HG1 VAL 126 4.115 1.704 -2.736 950 HG21 VAL 126 3HG2 VAL 126 2.043 1.652 -0.492 951 HG22 VAL 126 1HG2 VAL 126 2.894 3.078 -1.087 952 HG23 VAL 126 2HG2 VAL 126 2.942 2.675 0.628 953 H GLN 127 H GLN 127 6.705 0.737 0.987 954 HA GLN 127 HA GLN 127 8.024 -1.126 -0.660 955 HB2 GLN 127 2HB GLN 127 8.917 0.218 1.901 956 HB3 GLN 127 3HB GLN 127 9.984 -0.735 0.875 957 HG2 GLN 127 2HG GLN 127 9.683 0.808 -0.955 958 HG3 GLN 127 3HG GLN 127 8.481 1.714 -0.039 959 HE21 GLN 127 1HE2 GLN 127 11.009 2.593 -1.221 960 HE22 GLN 127 2HE2 GLN 127 11.920 3.278 0.076 961 H GLU 128 H GLU 128 6.789 -1.405 2.639 962 HA GLU 128 HA GLU 128 7.852 -3.983 3.190 963 HB2 GLU 128 2HB GLU 128 6.961 -2.393 4.907 964 HB3 GLU 128 3HB GLU 128 5.337 -2.725 4.322 965 HG2 GLU 128 2HG GLU 128 5.739 -4.014 6.299 966 HG3 GLU 128 3HG GLU 128 5.644 -5.105 4.916 967 H ILE 129 H ILE 129 4.580 -2.969 2.160 968 HA ILE 129 HA ILE 129 3.379 -5.455 1.927 969 HB ILE 129 HB ILE 129 2.902 -3.030 0.171 970 HG12 ILE 129 2HG1 ILE 129 1.492 -3.912 2.707 971 HG13 ILE 129 3HG1 ILE 129 2.660 -2.600 2.606 972 HG21 ILE 129 1HG2 ILE 129 0.648 -3.981 -0.192 973 HG22 ILE 129 2HG2 ILE 129 1.145 -5.441 0.663 974 HG23 ILE 129 3HG2 ILE 129 1.926 -4.998 -0.854 975 HD11 ILE 129 3HD1 ILE 129 1.156 -1.388 1.099 976 HD12 ILE 129 1HD1 ILE 129 0.398 -1.747 2.651 977 HD13 ILE 129 2HD1 ILE 129 -0.015 -2.701 1.228 978 H SER 130 H SER 130 5.083 -3.644 -0.633 979 HA SER 130 HA SER 130 4.815 -5.541 -2.680 980 HB2 SER 130 2HB SER 130 6.756 -4.388 -3.741 981 HB3 SER 130 3HB SER 130 5.530 -3.263 -3.157 982 HG SER 130 HG SER 130 6.847 -2.588 -1.600 983 H ASP 131 H ASP 131 7.327 -5.201 -0.194 984 HA ASP 131 HA ASP 131 9.049 -7.224 -1.146 985 HB2 ASP 131 2HB ASP 131 9.802 -5.586 0.476 986 HB3 ASP 131 3HB ASP 131 8.630 -6.160 1.658 987 H VAL 132 H VAL 132 6.328 -7.361 1.144 988 HA VAL 132 HA VAL 132 6.638 -9.996 2.026 989 HB VAL 132 HB VAL 132 4.062 -8.442 1.655 990 HG11 VAL 132 1HG1 VAL 132 4.611 -10.919 3.302 991 HG12 VAL 132 2HG1 VAL 132 3.597 -10.824 1.860 992 HG13 VAL 132 3HG1 VAL 132 3.116 -9.979 3.331 993 HG21 VAL 132 3HG2 VAL 132 5.854 -8.765 4.072 994 HG22 VAL 132 1HG2 VAL 132 4.294 -7.941 4.061 995 HG23 VAL 132 2HG2 VAL 132 5.640 -7.296 3.121 996 H VAL 133 H VAL 133 5.084 -8.776 -0.909 997 HA VAL 133 HA VAL 133 3.951 -11.270 -1.721 998 HB VAL 133 HB VAL 133 4.659 -8.890 -3.459 999 HG11 VAL 133 1HG1 VAL 133 2.887 -9.708 -4.943 1000 HG12 VAL 133 2HG1 VAL 133 2.650 -11.108 -3.894 1001 HG13 VAL 133 3HG1 VAL 133 4.174 -10.900 -4.757 1002 HG21 VAL 133 3HG2 VAL 133 2.342 -8.154 -3.099 1003 HG22 VAL 133 1HG2 VAL 133 3.260 -8.189 -1.594 1004 HG23 VAL 133 2HG2 VAL 133 2.105 -9.472 -1.952 1005 H GLN 134 H GLN 134 7.153 -10.064 -1.784 1006 HA GLN 134 HA GLN 134 8.011 -11.725 -4.044 1007 HB2 GLN 134 2HB GLN 134 9.651 -9.878 -2.284 1008 HB3 GLN 134 3HB GLN 134 10.156 -10.593 -3.813 1009 HG2 GLN 134 2HG GLN 134 8.522 -9.292 -5.016 1010 HG3 GLN 134 3HG GLN 134 7.860 -8.666 -3.508 1011 HE21 GLN 134 1HE2 GLN 134 8.239 -6.543 -4.000 1012 HE22 GLN 134 2HE2 GLN 134 9.819 -5.854 -4.079 1013 H ARG 135 H ARG 135 7.352 -12.417 -0.954 1014 HA ARG 135 HA ARG 135 9.837 -13.765 -0.225 1015 HB2 ARG 135 2HB ARG 135 7.241 -13.520 1.306 1016 HB3 ARG 135 3HB ARG 135 8.754 -14.159 1.940 1017 HG2 ARG 135 2HG ARG 135 9.808 -11.962 1.590 1018 HG3 ARG 135 3HG ARG 135 8.266 -11.334 1.005 1019 HD2 ARG 135 2HD ARG 135 7.242 -11.816 3.175 1020 HD3 ARG 135 3HD ARG 135 8.776 -12.462 3.760 1021 HE ARG 135 HE ARG 135 8.851 -9.726 2.803 1022 HH11 ARG 135 1HH1 ARG 135 8.539 -11.827 5.520 1023 HH12 ARG 135 2HH1 ARG 135 8.961 -10.595 6.655 1024 HH21 ARG 135 1HH2 ARG 135 9.395 -8.164 4.255 1025 HH22 ARG 135 2HH2 ARG 135 9.441 -8.540 5.947
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