NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
499542 | 2l9d | 17448 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -16.236 -8.511 8.854 2 HA2 GLY 1 HA2 GLY 1 -17.408 -10.556 8.184 3 HA3 GLY 1 HA1 GLY 1 -16.948 -10.597 9.898 4 H MET 2 HN MET 2 -19.702 -9.536 7.776 5 HA MET 2 HA MET 2 -21.906 -9.476 8.070 6 HB2 MET 2 HB2 MET 2 -21.445 -11.833 9.918 7 HB3 MET 2 HB3 MET 2 -23.035 -11.253 9.438 8 HG2 MET 2 HG2 MET 2 -22.855 -11.976 7.278 9 HG3 MET 2 HG3 MET 2 -21.110 -11.780 7.210 10 HE1 MET 2 HE1 MET 2 -22.592 -14.200 5.881 11 HE2 MET 2 HE2 MET 2 -20.810 -14.150 5.876 12 HE3 MET 2 HE3 MET 2 -21.657 -15.617 6.410 13 H GLY 3 HN GLY 3 -20.254 -7.676 9.519 14 HA2 GLY 3 HA2 GLY 3 -22.040 -6.838 11.658 15 HA3 GLY 3 HA1 GLY 3 -20.320 -7.053 12.069 16 H THR 4 HN THR 4 -20.906 -4.525 12.380 17 HA THR 4 HA THR 4 -20.834 -3.052 9.891 18 HB THR 4 HB THR 4 -22.328 -2.476 11.758 19 HG1 THR 4 HG1 THR 4 -21.697 -1.039 10.149 20 HG21 THR 4 HG21 THR 4 -19.911 -1.325 13.174 21 HG22 THR 4 HG22 THR 4 -20.785 -2.787 13.707 22 HG23 THR 4 HG23 THR 4 -21.612 -1.220 13.664 23 H THR 5 HN THR 5 -19.015 -3.432 8.967 24 HA THR 5 HA THR 5 -16.686 -1.960 10.041 25 HB THR 5 HB THR 5 -15.403 -3.400 8.192 26 HG1 THR 5 HG1 THR 5 -16.445 -5.048 7.630 27 HG21 THR 5 HG21 THR 5 -14.705 -3.106 10.466 28 HG22 THR 5 HG22 THR 5 -14.531 -4.798 9.976 29 HG23 THR 5 HG23 THR 5 -15.879 -4.302 11.040 30 H GLU 6 HN GLU 6 -18.583 -0.548 9.221 31 HA GLU 6 HA GLU 6 -18.449 -0.122 6.293 32 HB2 GLU 6 HB2 GLU 6 -19.837 1.875 6.697 33 HB3 GLU 6 HB3 GLU 6 -20.551 0.358 7.203 34 HG2 GLU 6 HG2 GLU 6 -19.907 0.897 9.591 35 HG3 GLU 6 HG3 GLU 6 -19.394 2.499 9.031 36 H LYS 7 HN LYS 7 -16.551 0.491 5.582 37 HA LYS 7 HA LYS 7 -14.503 1.280 5.403 38 HB2 LYS 7 HB2 LYS 7 -14.198 3.682 5.420 39 HB3 LYS 7 HB3 LYS 7 -15.725 3.249 4.661 40 HG2 LYS 7 HG2 LYS 7 -16.989 3.970 6.580 41 HG3 LYS 7 HG3 LYS 7 -15.514 4.171 7.562 42 HD2 LYS 7 HD2 LYS 7 -14.794 6.029 6.194 43 HD3 LYS 7 HD3 LYS 7 -16.143 5.749 5.066 44 HE2 LYS 7 HE2 LYS 7 -17.774 6.206 6.862 45 HE3 LYS 7 HE3 LYS 7 -16.466 6.470 8.020 46 HZ1 LYS 7 HZ1 LYS 7 -15.797 8.387 6.789 47 HZ2 LYS 7 HZ2 LYS 7 -17.436 8.508 7.025 48 HZ3 LYS 7 HZ3 LYS 7 -16.829 8.061 5.562 49 H SER 8 HN SER 8 -12.893 3.123 6.797 50 HA SER 8 HA SER 8 -13.000 2.663 9.623 51 HB2 SER 8 HB2 SER 8 -11.936 0.517 8.618 52 HB3 SER 8 HB3 SER 8 -10.594 1.550 8.131 53 HG SER 8 HG SER 8 -11.506 0.823 10.694 54 H GLY 9 HN GLY 9 -10.320 3.429 10.059 55 HA2 GLY 9 HA2 GLY 9 -10.117 6.130 8.751 56 HA3 GLY 9 HA1 GLY 9 -9.763 5.832 10.456 57 H ILE 10 HN ILE 10 -8.884 3.782 7.672 58 HA ILE 10 HA ILE 10 -6.234 3.295 8.528 59 HB ILE 10 HB ILE 10 -7.629 3.001 5.841 60 HG12 ILE 10 HG12 ILE 10 -6.866 0.975 8.010 61 HG13 ILE 10 HG13 ILE 10 -8.477 1.637 7.773 62 HG21 ILE 10 HG21 ILE 10 -4.918 1.855 6.650 63 HG22 ILE 10 HG22 ILE 10 -5.784 1.561 5.130 64 HG23 ILE 10 HG23 ILE 10 -5.167 3.164 5.463 65 HD11 ILE 10 HD11 ILE 10 -6.968 -0.174 5.892 66 HD12 ILE 10 HD12 ILE 10 -8.457 -0.528 6.780 67 HD13 ILE 10 HD13 ILE 10 -8.484 0.646 5.445 68 H LYS 11 HN LYS 11 -4.486 4.576 8.442 69 HA LYS 11 HA LYS 11 -4.231 6.597 6.289 70 HB2 LYS 11 HB2 LYS 11 -3.667 6.898 9.251 71 HB3 LYS 11 HB3 LYS 11 -3.112 8.073 8.058 72 HG2 LYS 11 HG2 LYS 11 -6.031 7.390 8.530 73 HG3 LYS 11 HG3 LYS 11 -5.167 8.737 9.258 74 HD2 LYS 11 HD2 LYS 11 -4.709 9.669 6.992 75 HD3 LYS 11 HD3 LYS 11 -5.540 8.293 6.256 76 HE2 LYS 11 HE2 LYS 11 -6.949 10.278 6.292 77 HE3 LYS 11 HE3 LYS 11 -7.657 8.926 7.189 78 HZ1 LYS 11 HZ1 LYS 11 -6.136 11.055 8.562 79 HZ2 LYS 11 HZ2 LYS 11 -7.184 9.963 9.210 80 HZ3 LYS 11 HZ3 LYS 11 -7.759 11.170 8.272 81 H GLU 12 HN GLU 12 -3.045 3.838 6.888 82 HA GLU 12 HA GLU 12 -0.623 4.412 5.504 83 HB2 GLU 12 HB2 GLU 12 -0.058 4.676 8.087 84 HB3 GLU 12 HB3 GLU 12 -0.191 2.919 8.143 85 HG2 GLU 12 HG2 GLU 12 1.609 2.769 6.414 86 HG3 GLU 12 HG3 GLU 12 1.671 4.529 6.331 87 H ILE 13 HN ILE 13 -0.133 2.384 4.331 88 HA ILE 13 HA ILE 13 -1.734 -0.023 5.048 89 HB ILE 13 HB ILE 13 -2.280 -0.398 2.677 90 HG12 ILE 13 HG12 ILE 13 -1.879 2.255 1.591 91 HG13 ILE 13 HG13 ILE 13 -0.333 1.636 2.159 92 HG21 ILE 13 HG21 ILE 13 -3.908 0.684 4.106 93 HG22 ILE 13 HG22 ILE 13 -3.312 2.291 3.615 94 HG23 ILE 13 HG23 ILE 13 -4.043 1.191 2.421 95 HD11 ILE 13 HD11 ILE 13 -0.700 0.985 -0.163 96 HD12 ILE 13 HD12 ILE 13 -0.657 -0.450 0.877 97 HD13 ILE 13 HD13 ILE 13 -2.213 0.166 0.281 98 H ILE 14 HN ILE 14 -0.845 -1.996 3.704 99 HA ILE 14 HA ILE 14 2.032 -1.665 3.138 100 HB ILE 14 HB ILE 14 1.046 -3.933 4.893 101 HG12 ILE 14 HG12 ILE 14 2.489 -1.397 5.795 102 HG13 ILE 14 HG13 ILE 14 0.823 -1.848 6.178 103 HG21 ILE 14 HG21 ILE 14 3.873 -2.969 4.228 104 HG22 ILE 14 HG22 ILE 14 3.437 -4.413 5.176 105 HG23 ILE 14 HG23 ILE 14 3.066 -4.358 3.470 106 HD11 ILE 14 HD11 ILE 14 3.343 -3.138 7.139 107 HD12 ILE 14 HD12 ILE 14 1.980 -2.454 8.070 108 HD13 ILE 14 HD13 ILE 14 1.769 -3.987 7.218 109 H ILE 15 HN ILE 15 2.310 -2.413 1.172 110 HA ILE 15 HA ILE 15 0.431 -4.401 0.022 111 HB ILE 15 HB ILE 15 2.826 -2.983 -1.211 112 HG12 ILE 15 HG12 ILE 15 -0.200 -2.508 -1.482 113 HG13 ILE 15 HG13 ILE 15 0.909 -1.465 -0.591 114 HG21 ILE 15 HG21 ILE 15 1.928 -3.852 -3.361 115 HG22 ILE 15 HG22 ILE 15 2.355 -5.166 -2.279 116 HG23 ILE 15 HG23 ILE 15 0.649 -4.722 -2.472 117 HD11 ILE 15 HD11 ILE 15 2.142 -0.963 -2.631 118 HD12 ILE 15 HD12 ILE 15 0.917 -1.849 -3.586 119 HD13 ILE 15 HD13 ILE 15 0.452 -0.417 -2.656 120 H GLN 16 HN GLN 16 0.805 -6.432 0.813 121 HA GLN 16 HA GLN 16 3.305 -7.224 1.843 122 HB2 GLN 16 HB2 GLN 16 0.932 -8.372 2.098 123 HB3 GLN 16 HB3 GLN 16 1.474 -9.319 0.694 124 HG2 GLN 16 HG2 GLN 16 3.587 -9.814 1.983 125 HG3 GLN 16 HG3 GLN 16 2.914 -8.899 3.352 126 HE21 GLN 16 HE21 GLN 16 3.348 -10.721 4.633 127 HE22 GLN 16 HE22 GLN 16 2.546 -12.265 4.435 128 H GLY 17 HN GLY 17 4.804 -8.900 0.795 129 HA2 GLY 17 HA2 GLY 17 5.056 -8.438 -2.153 130 HA3 GLY 17 HA1 GLY 17 6.342 -8.972 -1.089 131 H LEU 18 HN LEU 18 3.109 -10.461 -0.508 132 HA LEU 18 HA LEU 18 4.003 -12.879 -1.692 133 HB2 LEU 18 HB2 LEU 18 3.595 -12.126 1.013 134 HB3 LEU 18 HB3 LEU 18 2.039 -12.833 0.517 135 HG LEU 18 HG LEU 18 4.718 -14.420 0.423 136 HD11 LEU 18 HD11 LEU 18 3.572 -13.893 2.707 137 HD12 LEU 18 HD12 LEU 18 3.625 -15.628 2.234 138 HD13 LEU 18 HD13 LEU 18 2.128 -14.655 2.023 139 HD21 LEU 18 HD21 LEU 18 3.640 -14.763 -1.272 140 HD22 LEU 18 HD22 LEU 18 2.000 -14.828 -0.510 141 HD23 LEU 18 HD23 LEU 18 3.250 -16.080 -0.149 142 H THR 19 HN THR 19 2.366 -13.969 -2.950 143 HA THR 19 HA THR 19 0.367 -12.110 -3.988 144 HB THR 19 HB THR 19 -0.085 -13.786 -5.643 145 HG1 THR 19 HG1 THR 19 0.931 -15.753 -5.644 146 HG21 THR 19 HG21 THR 19 2.110 -12.379 -5.788 147 HG22 THR 19 HG22 THR 19 1.937 -13.821 -6.828 148 HG23 THR 19 HG23 THR 19 2.931 -13.944 -5.404 149 H ARG 20 HN ARG 20 -1.897 -12.770 -4.262 150 HA ARG 20 HA ARG 20 -3.333 -13.742 -2.092 151 HB2 ARG 20 HB2 ARG 20 -5.152 -14.120 -3.676 152 HB3 ARG 20 HB3 ARG 20 -4.345 -12.573 -3.919 153 HG2 ARG 20 HG2 ARG 20 -3.045 -13.680 -5.828 154 HG3 ARG 20 HG3 ARG 20 -4.094 -15.095 -5.657 155 HD2 ARG 20 HD2 ARG 20 -5.195 -12.302 -5.961 156 HD3 ARG 20 HD3 ARG 20 -4.680 -13.221 -7.388 157 HE ARG 20 HE ARG 20 -6.309 -15.019 -6.380 158 HH11 ARG 20 HH11 ARG 20 -6.851 -11.548 -6.887 159 HH12 ARG 20 HH12 ARG 20 -8.563 -11.603 -6.766 160 HH21 ARG 20 HH21 ARG 20 -8.618 -15.191 -6.724 161 HH22 ARG 20 HH22 ARG 20 -9.574 -13.765 -6.629 162 H ALA 21 HN ALA 21 -1.465 -15.631 -4.332 163 HA ALA 21 HA ALA 21 -2.801 -18.198 -3.742 164 HB1 ALA 21 HB1 ALA 21 -1.814 -17.743 -6.000 165 HB2 ALA 21 HB2 ALA 21 -0.201 -17.631 -5.251 166 HB3 ALA 21 HB3 ALA 21 -1.098 -19.155 -5.203 167 H GLY 22 HN GLY 22 -0.792 -16.194 -1.895 168 HA2 GLY 22 HA2 GLY 22 0.603 -16.539 -0.179 169 HA3 GLY 22 HA1 GLY 22 0.055 -18.181 -0.072 170 H LYS 23 HN LYS 23 1.801 -16.499 -2.816 171 HA LYS 23 HA LYS 23 4.252 -17.591 -1.770 172 HB2 LYS 23 HB2 LYS 23 3.086 -17.999 -4.646 173 HB3 LYS 23 HB3 LYS 23 4.831 -17.983 -4.438 174 HG2 LYS 23 HG2 LYS 23 4.617 -20.263 -4.234 175 HG3 LYS 23 HG3 LYS 23 4.244 -19.815 -2.586 176 HD2 LYS 23 HD2 LYS 23 1.741 -19.683 -3.341 177 HD3 LYS 23 HD3 LYS 23 2.323 -20.448 -4.817 178 HE2 LYS 23 HE2 LYS 23 1.312 -22.098 -3.400 179 HE3 LYS 23 HE3 LYS 23 3.062 -22.464 -3.493 180 HZ1 LYS 23 HZ1 LYS 23 3.355 -21.767 -1.333 181 HZ2 LYS 23 HZ2 LYS 23 1.894 -22.506 -1.242 182 HZ3 LYS 23 HZ3 LYS 23 2.002 -20.843 -1.263 183 HA PRO 24 HA PRO 24 5.516 -13.856 -2.387 184 HB2 PRO 24 HB2 PRO 24 8.056 -13.904 -1.850 185 HB3 PRO 24 HB3 PRO 24 6.878 -14.597 -0.733 186 HG2 PRO 24 HG2 PRO 24 8.478 -16.190 -2.811 187 HG3 PRO 24 HG3 PRO 24 8.372 -16.474 -1.043 188 HD2 PRO 24 HD2 PRO 24 6.719 -17.709 -2.824 189 HD3 PRO 24 HD3 PRO 24 6.155 -17.176 -1.199 190 H PHE 25 HN PHE 25 5.873 -12.348 -3.765 191 HA PHE 25 HA PHE 25 6.216 -13.002 -6.573 192 HB2 PHE 25 HB2 PHE 25 4.555 -11.442 -5.844 193 HB3 PHE 25 HB3 PHE 25 5.708 -10.522 -4.911 194 HD1 PHE 25 HD1 PHE 25 5.190 -11.748 -8.479 195 HD2 PHE 25 HD2 PHE 25 6.355 -8.450 -5.916 196 HE1 PHE 25 HE1 PHE 25 5.581 -10.309 -10.469 197 HE2 PHE 25 HE2 PHE 25 6.691 -7.018 -7.900 198 HZ PHE 25 HZ PHE 25 6.314 -7.974 -10.184 199 H ARG 26 HN ARG 26 7.772 -11.771 -7.974 200 HA ARG 26 HA ARG 26 10.333 -11.178 -6.667 201 HB2 ARG 26 HB2 ARG 26 9.750 -13.174 -8.854 202 HB3 ARG 26 HB3 ARG 26 11.260 -12.336 -8.926 203 HG2 ARG 26 HG2 ARG 26 10.383 -13.892 -6.467 204 HG3 ARG 26 HG3 ARG 26 11.315 -14.582 -7.809 205 HD2 ARG 26 HD2 ARG 26 13.052 -12.809 -7.441 206 HD3 ARG 26 HD3 ARG 26 12.197 -12.350 -5.951 207 HE ARG 26 HE ARG 26 12.481 -14.790 -5.303 208 HH11 ARG 26 HH11 ARG 26 14.986 -12.973 -7.110 209 HH12 ARG 26 HH12 ARG 26 16.230 -14.114 -6.739 210 HH21 ARG 26 HH21 ARG 26 14.177 -16.297 -4.880 211 HH22 ARG 26 HH22 ARG 26 15.702 -16.125 -5.668 212 HA PRO 27 HA PRO 27 12.418 -10.764 -8.035 213 HB2 PRO 27 HB2 PRO 27 13.912 -8.541 -7.933 214 HB3 PRO 27 HB3 PRO 27 13.529 -9.330 -9.497 215 HG2 PRO 27 HG2 PRO 27 12.114 -6.952 -8.226 216 HG3 PRO 27 HG3 PRO 27 12.755 -7.114 -9.893 217 HD2 PRO 27 HD2 PRO 27 10.139 -7.640 -9.316 218 HD3 PRO 27 HD3 PRO 27 11.038 -8.621 -10.517 219 H SER 28 HN SER 28 13.739 -10.335 -5.960 220 HA SER 28 HA SER 28 11.935 -9.767 -3.828 221 HB2 SER 28 HB2 SER 28 14.951 -10.005 -3.720 222 HB3 SER 28 HB3 SER 28 13.783 -10.322 -2.417 223 HG SER 28 HG SER 28 13.641 -12.318 -3.211 224 H ASP 29 HN ASP 29 14.305 -7.832 -5.590 225 HA ASP 29 HA ASP 29 14.153 -5.511 -3.904 226 HB2 ASP 29 HB2 ASP 29 15.402 -4.380 -5.577 227 HB3 ASP 29 HB3 ASP 29 16.076 -5.978 -5.337 228 H TRP 30 HN TRP 30 11.535 -6.751 -5.569 229 HA TRP 30 HA TRP 30 10.581 -4.581 -7.052 230 HB2 TRP 30 HB2 TRP 30 8.460 -5.462 -6.879 231 HB3 TRP 30 HB3 TRP 30 9.470 -6.870 -6.751 232 HD1 TRP 30 HD1 TRP 30 9.172 -8.301 -4.505 233 HE1 TRP 30 HE1 TRP 30 7.704 -8.116 -2.432 234 HE3 TRP 30 HE3 TRP 30 7.169 -3.675 -5.367 235 HZ2 TRP 30 HZ2 TRP 30 5.541 -6.240 -1.441 236 HZ3 TRP 30 HZ3 TRP 30 5.428 -2.748 -3.878 237 HH2 TRP 30 HH2 TRP 30 4.635 -4.052 -1.925 238 H VAL 31 HN VAL 31 10.566 -5.021 -3.544 239 HA VAL 31 HA VAL 31 9.009 -2.770 -2.786 240 HB VAL 31 HB VAL 31 11.263 -4.342 -1.457 241 HG11 VAL 31 HG11 VAL 31 10.483 -3.448 0.716 242 HG12 VAL 31 HG12 VAL 31 11.235 -2.247 -0.316 243 HG13 VAL 31 HG13 VAL 31 9.464 -2.272 -0.153 244 HG21 VAL 31 HG21 VAL 31 9.386 -5.287 -0.122 245 HG22 VAL 31 HG22 VAL 31 8.239 -4.415 -1.160 246 HG23 VAL 31 HG23 VAL 31 9.295 -5.672 -1.849 247 H ASP 32 HN ASP 32 12.425 -3.069 -3.737 248 HA ASP 32 HA ASP 32 13.190 -0.449 -2.714 249 HB2 ASP 32 HB2 ASP 32 14.599 -2.686 -3.122 250 HB3 ASP 32 HB3 ASP 32 14.798 -2.008 -4.743 251 H ARG 33 HN ARG 33 12.225 -1.939 -5.735 252 HA ARG 33 HA ARG 33 12.745 0.260 -7.522 253 HB2 ARG 33 HB2 ARG 33 10.593 -1.905 -7.660 254 HB3 ARG 33 HB3 ARG 33 10.905 -0.729 -8.917 255 HG2 ARG 33 HG2 ARG 33 13.230 -1.598 -9.171 256 HG3 ARG 33 HG3 ARG 33 12.876 -2.833 -7.937 257 HD2 ARG 33 HD2 ARG 33 10.923 -3.587 -9.340 258 HD3 ARG 33 HD3 ARG 33 11.414 -2.410 -10.578 259 HE ARG 33 HE ARG 33 13.544 -4.220 -9.818 260 HH11 ARG 33 HH11 ARG 33 10.573 -3.989 -11.743 261 HH12 ARG 33 HH12 ARG 33 11.027 -5.145 -12.933 262 HH21 ARG 33 HH21 ARG 33 14.278 -5.666 -11.522 263 HH22 ARG 33 HH22 ARG 33 13.121 -6.250 -12.691 264 H MET 34 HN MET 34 9.742 -0.571 -5.646 265 HA MET 34 HA MET 34 8.342 1.645 -6.739 266 HB2 MET 34 HB2 MET 34 7.873 0.351 -4.046 267 HB3 MET 34 HB3 MET 34 6.728 1.370 -4.936 268 HG2 MET 34 HG2 MET 34 7.720 -1.398 -5.639 269 HG3 MET 34 HG3 MET 34 6.082 -0.916 -5.287 270 HE1 MET 34 HE1 MET 34 4.739 0.504 -8.579 271 HE2 MET 34 HE2 MET 34 4.361 -0.296 -7.048 272 HE3 MET 34 HE3 MET 34 5.121 1.316 -7.038 273 H CYS 35 HN CYS 35 10.667 1.569 -4.046 274 HA CYS 35 HA CYS 35 10.073 4.283 -3.178 275 HB2 CYS 35 HB2 CYS 35 12.382 2.361 -2.769 276 HB3 CYS 35 HB3 CYS 35 12.600 4.090 -2.495 277 HG CYS 35 HG CYS 35 11.081 1.871 -0.790 278 H SER 36 HN SER 36 12.484 2.888 -5.505 279 HA SER 36 HA SER 36 13.693 5.361 -6.119 280 HB2 SER 36 HB2 SER 36 14.836 4.187 -7.803 281 HB3 SER 36 HB3 SER 36 14.448 3.044 -6.494 282 HG SER 36 HG SER 36 13.312 3.093 -9.072 283 H THR 37 HN THR 37 11.199 3.658 -7.655 284 HA THR 37 HA THR 37 10.462 5.193 -9.847 285 HB THR 37 HB THR 37 8.575 3.751 -7.934 286 HG1 THR 37 HG1 THR 37 10.176 2.405 -8.691 287 HG21 THR 37 HG21 THR 37 8.229 4.423 -10.874 288 HG22 THR 37 HG22 THR 37 7.269 5.077 -9.520 289 HG23 THR 37 HG23 THR 37 7.160 3.359 -9.926 290 H TYR 38 HN TYR 38 9.898 6.224 -6.502 291 HA TYR 38 HA TYR 38 8.436 8.625 -7.541 292 HB2 TYR 38 HB2 TYR 38 8.030 7.074 -4.959 293 HB3 TYR 38 HB3 TYR 38 7.376 8.687 -5.251 294 HD1 TYR 38 HD1 TYR 38 5.793 9.116 -7.157 295 HD2 TYR 38 HD2 TYR 38 6.971 5.137 -6.001 296 HE1 TYR 38 HE1 TYR 38 3.996 8.186 -8.544 297 HE2 TYR 38 HE2 TYR 38 5.196 4.181 -7.426 298 HH TYR 38 HH TYR 38 3.510 4.616 -8.889 299 H ALA 39 HN ALA 39 11.418 7.817 -6.816 300 HA ALA 39 HA ALA 39 12.055 9.708 -4.675 301 HB1 ALA 39 HB1 ALA 39 13.907 8.102 -6.484 302 HB2 ALA 39 HB2 ALA 39 14.279 8.828 -4.904 303 HB3 ALA 39 HB3 ALA 39 13.163 7.464 -4.999 304 H SER 40 HN SER 40 14.175 10.956 -5.291 305 HA SER 40 HA SER 40 14.499 12.126 -7.920 306 HB2 SER 40 HB2 SER 40 14.098 14.476 -7.047 307 HB3 SER 40 HB3 SER 40 12.662 13.515 -7.380 308 HG SER 40 HG SER 40 12.307 13.187 -5.217 309 H PHE 41 HN PHE 41 16.384 13.493 -7.978 310 HA PHE 41 HA PHE 41 18.395 12.941 -5.938 311 HB2 PHE 41 HB2 PHE 41 18.136 14.631 -8.414 312 HB3 PHE 41 HB3 PHE 41 19.466 14.915 -7.267 313 HD1 PHE 41 HD2 PHE 41 18.811 11.376 -7.370 314 HD2 PHE 41 HD1 PHE 41 20.652 14.560 -9.639 315 HE1 PHE 41 HE2 PHE 41 20.179 9.737 -8.542 316 HE2 PHE 41 HE1 PHE 41 22.024 12.877 -10.827 317 HZ PHE 41 HZ PHE 41 21.783 10.441 -10.278 318 H GLY 42 HN GLY 42 18.944 14.248 -4.294 319 HA2 GLY 42 HA2 GLY 42 17.148 16.529 -3.628 320 HA3 GLY 42 HA1 GLY 42 18.217 15.644 -2.553 321 H ALA 43 HN ALA 43 18.503 17.439 -5.605 322 HA ALA 43 HA ALA 43 19.965 18.904 -6.470 323 HB1 ALA 43 HB1 ALA 43 20.006 19.995 -3.638 324 HB2 ALA 43 HB2 ALA 43 20.339 20.891 -5.133 325 HB3 ALA 43 HB3 ALA 43 18.711 20.258 -4.833 326 H ASP 44 HN ASP 44 21.352 16.589 -4.655 327 HA ASP 44 HA ASP 44 24.107 17.709 -4.846 328 HB2 ASP 44 HB2 ASP 44 22.986 17.640 -2.549 329 HB3 ASP 44 HB3 ASP 44 23.087 15.886 -2.642 330 H ARG 45 HN ARG 45 22.509 15.804 -6.522 331 HA ARG 45 HA ARG 45 22.535 13.804 -7.566 332 HB2 ARG 45 HB2 ARG 45 25.564 14.130 -7.566 333 HB3 ARG 45 HB3 ARG 45 24.579 13.198 -8.677 334 HG2 ARG 45 HG2 ARG 45 24.979 15.033 -9.963 335 HG3 ARG 45 HG3 ARG 45 23.424 15.496 -9.245 336 HD2 ARG 45 HD2 ARG 45 24.686 16.858 -7.537 337 HD3 ARG 45 HD3 ARG 45 26.203 16.317 -8.264 338 HE ARG 45 HE ARG 45 24.312 17.639 -10.072 339 HH11 ARG 45 HH11 ARG 45 26.886 18.222 -7.709 340 HH12 ARG 45 HH12 ARG 45 27.634 19.515 -8.585 341 HH21 ARG 45 HH21 ARG 45 25.014 19.657 -11.031 342 HH22 ARG 45 HH22 ARG 45 26.441 20.425 -10.476 343 H LYS 46 HN LYS 46 21.915 13.201 -5.184 344 HA LYS 46 HA LYS 46 22.810 10.422 -5.081 345 HB2 LYS 46 HB2 LYS 46 22.936 12.352 -2.761 346 HB3 LYS 46 HB3 LYS 46 21.888 10.983 -2.486 347 HG2 LYS 46 HG2 LYS 46 23.833 10.226 -1.597 348 HG3 LYS 46 HG3 LYS 46 23.849 9.476 -3.192 349 HD2 LYS 46 HD2 LYS 46 25.498 11.117 -3.985 350 HD3 LYS 46 HD3 LYS 46 25.347 12.027 -2.473 351 HE2 LYS 46 HE2 LYS 46 27.347 10.727 -2.293 352 HE3 LYS 46 HE3 LYS 46 26.146 10.039 -1.199 353 HZ1 LYS 46 HZ1 LYS 46 25.737 8.345 -2.964 354 HZ2 LYS 46 HZ2 LYS 46 27.231 8.293 -2.302 355 HZ3 LYS 46 HZ3 LYS 46 27.024 8.930 -3.793 356 H LEU 47 HN LEU 47 21.026 9.097 -4.912 357 HA LEU 47 HA LEU 47 18.493 10.428 -5.546 358 HB2 LEU 47 HB2 LEU 47 19.620 7.763 -5.894 359 HB3 LEU 47 HB3 LEU 47 18.142 7.642 -4.944 360 HG LEU 47 HG LEU 47 18.510 8.674 -7.763 361 HD11 LEU 47 HD11 LEU 47 18.251 6.283 -7.473 362 HD12 LEU 47 HD12 LEU 47 16.833 6.983 -8.275 363 HD13 LEU 47 HD13 LEU 47 16.736 6.534 -6.559 364 HD21 LEU 47 HD21 LEU 47 17.022 10.288 -7.010 365 HD22 LEU 47 HD22 LEU 47 16.183 9.169 -5.932 366 HD23 LEU 47 HD23 LEU 47 15.964 9.069 -7.703 367 H ARG 48 HN ARG 48 16.649 10.411 -4.188 368 HA ARG 48 HA ARG 48 17.148 9.733 -1.349 369 HB2 ARG 48 HB2 ARG 48 17.286 12.299 -2.243 370 HB3 ARG 48 HB3 ARG 48 15.546 12.159 -2.072 371 HG2 ARG 48 HG2 ARG 48 17.680 11.982 0.037 372 HG3 ARG 48 HG3 ARG 48 16.315 13.100 -0.064 373 HD2 ARG 48 HD2 ARG 48 14.764 11.138 0.334 374 HD3 ARG 48 HD3 ARG 48 16.195 10.137 0.593 375 HE ARG 48 HE ARG 48 14.931 11.932 2.402 376 HH11 ARG 48 HH11 ARG 48 18.036 10.404 1.647 377 HH12 ARG 48 HH12 ARG 48 18.912 11.012 2.987 378 HH21 ARG 48 HH21 ARG 48 15.898 12.363 4.455 379 HH22 ARG 48 HH22 ARG 48 17.651 12.352 4.642 380 H TYR 49 HN TYR 49 15.851 8.012 -1.188 381 HA TYR 49 HA TYR 49 13.289 7.660 -2.498 382 HB2 TYR 49 HB2 TYR 49 14.414 6.363 0.014 383 HB3 TYR 49 HB3 TYR 49 12.930 5.897 -0.788 384 HD1 TYR 49 HD1 TYR 49 14.756 6.489 -3.630 385 HD2 TYR 49 HD2 TYR 49 14.763 3.839 -0.232 386 HE1 TYR 49 HE1 TYR 49 15.966 4.803 -4.950 387 HE2 TYR 49 HE2 TYR 49 15.943 2.118 -1.577 388 HH TYR 49 HH TYR 49 16.484 1.498 -3.959 389 H SER 50 HN SER 50 11.413 8.563 -2.043 390 HA SER 50 HA SER 50 11.144 10.719 -0.216 391 HB2 SER 50 HB2 SER 50 9.213 9.020 -1.851 392 HB3 SER 50 HB3 SER 50 8.692 10.425 -0.898 393 HG SER 50 HG SER 50 9.944 11.744 -2.047 394 HA PRO 51 HA PRO 51 10.261 8.816 3.527 395 HB2 PRO 51 HB2 PRO 51 8.551 10.505 4.841 396 HB3 PRO 51 HB3 PRO 51 10.238 10.943 4.440 397 HG2 PRO 51 HG2 PRO 51 7.713 11.638 2.898 398 HG3 PRO 51 HG3 PRO 51 9.050 12.731 3.375 399 HD2 PRO 51 HD2 PRO 51 8.919 11.636 0.899 400 HD3 PRO 51 HD3 PRO 51 10.485 11.860 1.731 401 H TYR 52 HN TYR 52 7.386 9.409 1.507 402 HA TYR 52 HA TYR 52 5.591 8.196 3.337 403 HB2 TYR 52 HB2 TYR 52 5.193 8.714 0.382 404 HB3 TYR 52 HB3 TYR 52 3.918 8.470 1.571 405 HD1 TYR 52 HD2 TYR 52 4.212 10.140 3.761 406 HD2 TYR 52 HD1 TYR 52 5.393 10.934 -0.303 407 HE1 TYR 52 HE2 TYR 52 4.120 12.579 4.202 408 HE2 TYR 52 HE1 TYR 52 5.329 13.344 0.131 409 HH TYR 52 HH TYR 52 5.478 14.979 2.019 410 H LEU 53 HN LEU 53 7.923 6.521 2.153 411 HA LEU 53 HA LEU 53 6.482 4.096 1.312 412 HB2 LEU 53 HB2 LEU 53 8.099 6.090 -0.258 413 HB3 LEU 53 HB3 LEU 53 8.504 4.393 -0.557 414 HG LEU 53 HG LEU 53 5.672 5.484 -0.788 415 HD11 LEU 53 HD11 LEU 53 6.067 5.506 -3.236 416 HD12 LEU 53 HD12 LEU 53 7.770 5.077 -2.971 417 HD13 LEU 53 HD13 LEU 53 7.143 6.634 -2.398 418 HD21 LEU 53 HD21 LEU 53 5.196 3.412 -1.909 419 HD22 LEU 53 HD22 LEU 53 6.048 2.958 -0.454 420 HD23 LEU 53 HD23 LEU 53 6.922 2.982 -2.003 421 H LYS 54 HN LYS 54 7.477 2.538 2.619 422 HA LYS 54 HA LYS 54 10.387 2.592 2.617 423 HB2 LYS 54 HB2 LYS 54 8.830 2.953 5.200 424 HB3 LYS 54 HB3 LYS 54 10.263 1.933 5.207 425 HG2 LYS 54 HG2 LYS 54 11.412 3.925 3.932 426 HG3 LYS 54 HG3 LYS 54 10.123 4.900 4.640 427 HD2 LYS 54 HD2 LYS 54 11.999 3.103 6.247 428 HD3 LYS 54 HD3 LYS 54 12.388 4.771 5.806 429 HE2 LYS 54 HE2 LYS 54 10.395 5.583 6.968 430 HE3 LYS 54 HE3 LYS 54 9.975 3.945 7.483 431 HZ1 LYS 54 HZ1 LYS 54 12.535 5.272 8.157 432 HZ2 LYS 54 HZ2 LYS 54 11.947 3.888 8.803 433 HZ3 LYS 54 HZ3 LYS 54 11.226 5.350 9.130 434 HA PRO 55 HA PRO 55 9.795 -1.787 2.407 435 HB2 PRO 55 HB2 PRO 55 12.180 -2.706 3.452 436 HB3 PRO 55 HB3 PRO 55 12.050 -1.980 1.825 437 HG2 PRO 55 HG2 PRO 55 12.951 -0.657 4.381 438 HG3 PRO 55 HG3 PRO 55 13.683 -0.569 2.740 439 HD2 PRO 55 HD2 PRO 55 12.017 1.354 3.761 440 HD3 PRO 55 HD3 PRO 55 12.065 0.971 2.020 441 H ARG 56 HN ARG 56 9.559 -3.642 3.850 442 HA ARG 56 HA ARG 56 10.022 -3.193 6.720 443 HB2 ARG 56 HB2 ARG 56 7.333 -3.971 5.544 444 HB3 ARG 56 HB3 ARG 56 7.808 -4.475 7.164 445 HG2 ARG 56 HG2 ARG 56 8.463 -1.962 7.539 446 HG3 ARG 56 HG3 ARG 56 7.444 -1.665 6.117 447 HD2 ARG 56 HD2 ARG 56 5.605 -2.880 7.343 448 HD3 ARG 56 HD3 ARG 56 6.646 -2.923 8.784 449 HE ARG 56 HE ARG 56 6.671 -0.288 7.867 450 HH11 ARG 56 HH11 ARG 56 4.349 -2.288 9.682 451 HH12 ARG 56 HH12 ARG 56 3.065 -1.148 9.499 452 HH21 ARG 56 HH21 ARG 56 4.969 1.322 7.845 453 HH22 ARG 56 HH22 ARG 56 3.459 0.920 8.549 454 H VAL 57 HN VAL 57 9.565 -5.444 7.765 455 HA VAL 57 HA VAL 57 9.431 -7.645 5.962 456 HB VAL 57 HB VAL 57 11.593 -7.559 8.099 457 HG11 VAL 57 HG11 VAL 57 10.358 -9.606 8.540 458 HG12 VAL 57 HG12 VAL 57 10.341 -9.993 6.807 459 HG13 VAL 57 HG13 VAL 57 11.866 -10.008 7.732 460 HG21 VAL 57 HG21 VAL 57 12.337 -6.984 5.825 461 HG22 VAL 57 HG22 VAL 57 12.966 -8.563 6.265 462 HG23 VAL 57 HG23 VAL 57 11.553 -8.449 5.171 463 H ILE 58 HN ILE 58 7.840 -9.038 6.734 464 HA ILE 58 HA ILE 58 6.929 -8.992 9.503 465 HB ILE 58 HB ILE 58 4.979 -8.573 7.170 466 HG12 ILE 58 HG12 ILE 58 5.820 -6.687 9.461 467 HG13 ILE 58 HG13 ILE 58 6.103 -6.383 7.806 468 HG21 ILE 58 HG21 ILE 58 3.267 -8.520 8.991 469 HG22 ILE 58 HG22 ILE 58 4.078 -10.044 8.779 470 HG23 ILE 58 HG23 ILE 58 4.535 -9.005 10.144 471 HD11 ILE 58 HD11 ILE 58 3.399 -6.308 9.179 472 HD12 ILE 58 HD12 ILE 58 4.330 -4.977 8.494 473 HD13 ILE 58 HD13 ILE 58 3.624 -6.192 7.417 474 H GLU 59 HN GLU 59 6.405 -11.117 10.008 475 HA GLU 59 HA GLU 59 6.586 -13.382 9.848 476 HB2 GLU 59 HB2 GLU 59 4.868 -12.915 7.382 477 HB3 GLU 59 HB3 GLU 59 5.136 -14.490 8.152 478 HG2 GLU 59 HG2 GLU 59 4.165 -13.668 10.262 479 HG3 GLU 59 HG3 GLU 59 3.891 -12.101 9.564 480 H GLY 60 HN GLY 60 8.710 -11.768 8.558 481 HA2 GLY 60 HA2 GLY 60 10.739 -12.313 7.616 482 HA3 GLY 60 HA1 GLY 60 10.114 -13.873 7.098 483 H VAL 61 HN VAL 61 7.785 -11.854 5.880 484 HA VAL 61 HA VAL 61 8.984 -11.937 3.184 485 HB VAL 61 HB VAL 61 6.249 -10.789 3.835 486 HG11 VAL 61 HG11 VAL 61 5.689 -11.812 1.614 487 HG12 VAL 61 HG12 VAL 61 7.039 -10.666 1.487 488 HG13 VAL 61 HG13 VAL 61 7.319 -12.428 1.478 489 HG21 VAL 61 HG21 VAL 61 5.182 -12.917 3.699 490 HG22 VAL 61 HG22 VAL 61 6.732 -13.763 3.522 491 HG23 VAL 61 HG23 VAL 61 6.284 -12.939 5.051 492 H ARG 62 HN ARG 62 9.565 -10.091 2.126 493 HA ARG 62 HA ARG 62 10.440 -7.785 3.496 494 HB2 ARG 62 HB2 ARG 62 10.987 -6.878 1.271 495 HB3 ARG 62 HB3 ARG 62 11.519 -8.531 1.522 496 HG2 ARG 62 HG2 ARG 62 9.151 -9.032 0.338 497 HG3 ARG 62 HG3 ARG 62 9.536 -7.496 -0.415 498 HD2 ARG 62 HD2 ARG 62 10.727 -8.655 -1.894 499 HD3 ARG 62 HD3 ARG 62 11.962 -8.858 -0.650 500 HE ARG 62 HE ARG 62 9.784 -10.731 -1.456 501 HH11 ARG 62 HH11 ARG 62 12.965 -10.467 0.215 502 HH12 ARG 62 HH12 ARG 62 12.996 -12.146 0.562 503 HH21 ARG 62 HH21 ARG 62 9.824 -12.846 -0.884 504 HH22 ARG 62 HH22 ARG 62 11.158 -13.544 -0.025 505 H CYS 63 HN CYS 63 8.199 -7.072 0.815 506 HA CYS 63 HA CYS 63 6.242 -5.986 0.708 507 HB2 CYS 63 HB2 CYS 63 5.984 -5.879 3.712 508 HB3 CYS 63 HB3 CYS 63 4.726 -5.862 2.533 509 HG CYS 63 HG CYS 63 4.801 -8.088 3.866 510 H LEU 64 HN LEU 64 5.198 -3.858 1.281 511 HA LEU 64 HA LEU 64 7.272 -1.760 1.677 512 HB2 LEU 64 HB2 LEU 64 7.024 -2.378 -0.738 513 HB3 LEU 64 HB3 LEU 64 5.281 -2.162 -0.591 514 HG LEU 64 HG LEU 64 5.744 0.293 0.022 515 HD11 LEU 64 HD11 LEU 64 8.495 -0.383 -1.132 516 HD12 LEU 64 HD12 LEU 64 8.181 0.061 0.559 517 HD13 LEU 64 HD13 LEU 64 7.898 1.232 -0.726 518 HD21 LEU 64 HD21 LEU 64 6.061 0.850 -2.389 519 HD22 LEU 64 HD22 LEU 64 4.878 -0.440 -2.135 520 HD23 LEU 64 HD23 LEU 64 6.512 -0.848 -2.692 521 H ALA 65 HN ALA 65 6.492 -0.381 3.156 522 HA ALA 65 HA ALA 65 3.613 -0.282 3.849 523 HB1 ALA 65 HB1 ALA 65 4.359 1.124 5.648 524 HB2 ALA 65 HB2 ALA 65 5.300 -0.382 5.638 525 HB3 ALA 65 HB3 ALA 65 6.040 1.131 5.036 526 H VAL 66 HN VAL 66 2.439 1.700 3.463 527 HA VAL 66 HA VAL 66 3.807 3.849 1.941 528 HB VAL 66 HB VAL 66 1.071 2.961 1.089 529 HG11 VAL 66 HG11 VAL 66 3.413 4.298 -0.336 530 HG12 VAL 66 HG12 VAL 66 1.796 4.014 -1.014 531 HG13 VAL 66 HG13 VAL 66 2.005 5.135 0.341 532 HG21 VAL 66 HG21 VAL 66 2.386 0.884 0.884 533 HG22 VAL 66 HG22 VAL 66 2.014 1.569 -0.681 534 HG23 VAL 66 HG23 VAL 66 3.650 1.782 0.002 535 H ASP 67 HN ASP 67 3.309 5.762 2.754 536 HA ASP 67 HA ASP 67 1.438 6.181 5.006 537 HB2 ASP 67 HB2 ASP 67 3.818 7.362 4.116 538 HB3 ASP 67 HB3 ASP 67 2.592 8.504 3.613 539 H LEU 68 HN LEU 68 -0.670 6.978 4.736 540 HA LEU 68 HA LEU 68 -1.622 7.224 2.051 541 HB2 LEU 68 HB2 LEU 68 -2.812 6.962 4.632 542 HB3 LEU 68 HB3 LEU 68 -3.580 8.297 3.810 543 HG LEU 68 HG LEU 68 -3.109 5.549 2.632 544 HD11 LEU 68 HD11 LEU 68 -4.686 5.318 4.434 545 HD12 LEU 68 HD12 LEU 68 -5.616 5.260 2.933 546 HD13 LEU 68 HD13 LEU 68 -5.606 6.741 3.891 547 HD21 LEU 68 HD21 LEU 68 -4.860 6.270 0.927 548 HD22 LEU 68 HD22 LEU 68 -3.361 7.190 0.815 549 HD23 LEU 68 HD23 LEU 68 -4.771 7.904 1.615 550 H LYS 69 HN LYS 69 0.020 9.496 3.965 551 HA LYS 69 HA LYS 69 -1.450 11.843 3.164 552 HB2 LYS 69 HB2 LYS 69 0.518 11.549 4.934 553 HB3 LYS 69 HB3 LYS 69 1.537 12.019 3.588 554 HG2 LYS 69 HG2 LYS 69 -0.923 13.585 4.529 555 HG3 LYS 69 HG3 LYS 69 0.643 13.766 5.337 556 HD2 LYS 69 HD2 LYS 69 1.677 14.395 3.231 557 HD3 LYS 69 HD3 LYS 69 0.121 14.314 2.391 558 HE2 LYS 69 HE2 LYS 69 1.090 16.310 4.394 559 HE3 LYS 69 HE3 LYS 69 0.704 16.465 2.659 560 HZ1 LYS 69 HZ1 LYS 69 -0.932 17.398 4.252 561 HZ2 LYS 69 HZ2 LYS 69 -1.321 15.876 4.729 562 HZ3 LYS 69 HZ3 LYS 69 -1.561 16.363 3.140 563 H LEU 70 HN LEU 70 1.000 9.909 1.479 564 HA LEU 70 HA LEU 70 1.724 11.738 -0.538 565 HB2 LEU 70 HB2 LEU 70 2.946 9.774 -0.394 566 HB3 LEU 70 HB3 LEU 70 1.547 8.752 -0.524 567 HG LEU 70 HG LEU 70 1.266 9.584 -2.947 568 HD11 LEU 70 HD11 LEU 70 3.290 10.574 -3.994 569 HD12 LEU 70 HD12 LEU 70 4.047 10.725 -2.390 570 HD13 LEU 70 HD13 LEU 70 2.587 11.656 -2.786 571 HD21 LEU 70 HD21 LEU 70 2.214 7.413 -2.439 572 HD22 LEU 70 HD22 LEU 70 3.831 8.127 -2.251 573 HD23 LEU 70 HD23 LEU 70 3.008 8.149 -3.837 574 H LYS 71 HN LYS 71 -1.368 9.961 -0.144 575 HA LYS 71 HA LYS 71 -2.305 10.357 -2.830 576 HB2 LYS 71 HB2 LYS 71 -3.180 8.634 -1.180 577 HB3 LYS 71 HB3 LYS 71 -3.873 9.950 -0.231 578 HG2 LYS 71 HG2 LYS 71 -5.704 9.119 -1.412 579 HG3 LYS 71 HG3 LYS 71 -5.261 10.540 -2.349 580 HD2 LYS 71 HD2 LYS 71 -3.894 8.947 -3.839 581 HD3 LYS 71 HD3 LYS 71 -4.667 7.634 -2.935 582 HE2 LYS 71 HE2 LYS 71 -6.870 8.302 -3.699 583 HE3 LYS 71 HE3 LYS 71 -6.209 9.765 -4.424 584 HZ1 LYS 71 HZ1 LYS 71 -6.511 8.225 -6.146 585 HZ2 LYS 71 HZ2 LYS 71 -5.727 7.002 -5.396 586 HZ3 LYS 71 HZ3 LYS 71 -4.931 8.350 -5.966 587 H ASP 72 HN ASP 72 -2.382 12.373 0.085 588 HA ASP 72 HA ASP 72 -4.296 14.316 -0.864 589 HB2 ASP 72 HB2 ASP 72 -3.696 14.265 1.464 590 HB3 ASP 72 HB3 ASP 72 -1.993 14.412 1.122 591 H THR 73 HN THR 73 -0.731 14.108 -0.921 592 HA THR 73 HA THR 73 -0.589 16.641 -2.331 593 HB THR 73 HB THR 73 0.871 15.748 -0.386 594 HG1 THR 73 HG1 THR 73 1.299 17.621 -1.325 595 HG21 THR 73 HG21 THR 73 2.345 14.451 -2.735 596 HG22 THR 73 HG22 THR 73 1.552 13.638 -1.379 597 HG23 THR 73 HG23 THR 73 2.971 14.660 -1.089 598 H ASN 74 HN ASN 74 -0.196 13.248 -3.349 599 HA ASN 74 HA ASN 74 -0.267 14.041 -6.160 600 HB2 ASN 74 HB2 ASN 74 2.146 13.962 -5.818 601 HB3 ASN 74 HB3 ASN 74 2.010 12.375 -5.043 602 HD21 ASN 74 HD21 ASN 74 3.744 12.204 -7.035 603 HD22 ASN 74 HD22 ASN 74 3.038 11.509 -8.455 604 HA PRO 75 HA PRO 75 -2.913 10.566 -4.764 605 HB2 PRO 75 HB2 PRO 75 -5.073 11.185 -6.464 606 HB3 PRO 75 HB3 PRO 75 -4.865 11.797 -4.807 607 HG2 PRO 75 HG2 PRO 75 -4.081 13.135 -7.398 608 HG3 PRO 75 HG3 PRO 75 -4.950 13.847 -6.002 609 HD2 PRO 75 HD2 PRO 75 -2.310 14.237 -6.311 610 HD3 PRO 75 HD3 PRO 75 -2.947 13.887 -4.697 611 H GLU 76 HN GLU 76 -2.127 11.642 -8.055 612 HA GLU 76 HA GLU 76 -2.791 9.329 -9.517 613 HB2 GLU 76 HB2 GLU 76 -2.180 11.578 -10.376 614 HB3 GLU 76 HB3 GLU 76 -0.502 11.320 -9.925 615 HG2 GLU 76 HG2 GLU 76 -0.067 9.922 -11.673 616 HG3 GLU 76 HG3 GLU 76 -1.653 9.169 -11.605 617 H GLY 77 HN GLY 77 0.142 10.278 -7.828 618 HA2 GLY 77 HA2 GLY 77 1.827 8.086 -8.471 619 HA3 GLY 77 HA1 GLY 77 1.984 9.095 -7.024 620 H PHE 78 HN PHE 78 -0.035 8.605 -5.446 621 HA PHE 78 HA PHE 78 0.424 6.011 -4.389 622 HB2 PHE 78 HB2 PHE 78 -0.515 7.929 -3.107 623 HB3 PHE 78 HB3 PHE 78 -2.025 7.729 -3.969 624 HD1 PHE 78 HD2 PHE 78 0.343 6.004 -1.625 625 HD2 PHE 78 HD1 PHE 78 -3.570 5.897 -3.408 626 HE1 PHE 78 HE2 PHE 78 -0.466 4.532 0.211 627 HE2 PHE 78 HE1 PHE 78 -4.368 4.440 -1.577 628 HZ PHE 78 HZ PHE 78 -2.831 3.795 0.259 629 H ASN 79 HN ASN 79 -2.185 7.158 -6.539 630 HA ASN 79 HA ASN 79 -3.821 4.851 -6.672 631 HB2 ASN 79 HB2 ASN 79 -4.661 6.743 -7.728 632 HB3 ASN 79 HB3 ASN 79 -3.165 7.170 -8.451 633 HD21 ASN 79 HD21 ASN 79 -2.778 6.591 -10.606 634 HD22 ASN 79 HD22 ASN 79 -3.800 5.451 -11.460 635 H GLN 80 HN GLN 80 -1.110 5.708 -8.868 636 HA GLN 80 HA GLN 80 -1.072 3.197 -10.228 637 HB2 GLN 80 HB2 GLN 80 1.001 5.373 -9.757 638 HB3 GLN 80 HB3 GLN 80 1.386 3.902 -10.644 639 HG2 GLN 80 HG2 GLN 80 -0.984 4.780 -11.865 640 HG3 GLN 80 HG3 GLN 80 -0.097 6.269 -11.549 641 HE21 GLN 80 HE21 GLN 80 2.238 6.356 -12.414 642 HE22 GLN 80 HE22 GLN 80 2.617 5.372 -13.816 643 H LEU 81 HN LEU 81 0.353 4.158 -7.123 644 HA LEU 81 HA LEU 81 2.088 1.881 -6.915 645 HB2 LEU 81 HB2 LEU 81 1.813 4.225 -5.545 646 HB3 LEU 81 HB3 LEU 81 0.945 3.139 -4.455 647 HG LEU 81 HG LEU 81 3.575 2.097 -5.476 648 HD11 LEU 81 HD11 LEU 81 3.623 4.316 -3.423 649 HD12 LEU 81 HD12 LEU 81 4.041 4.529 -5.142 650 HD13 LEU 81 HD13 LEU 81 4.985 3.410 -4.152 651 HD21 LEU 81 HD21 LEU 81 2.162 1.003 -3.715 652 HD22 LEU 81 HD22 LEU 81 2.522 2.374 -2.655 653 HD23 LEU 81 HD23 LEU 81 3.834 1.320 -3.223 654 H MET 82 HN MET 82 -1.203 2.602 -5.705 655 HA MET 82 HA MET 82 -1.653 0.156 -4.436 656 HB2 MET 82 HB2 MET 82 -3.678 1.897 -5.920 657 HB3 MET 82 HB3 MET 82 -4.103 0.548 -4.888 658 HG2 MET 82 HG2 MET 82 -2.696 3.067 -3.998 659 HG3 MET 82 HG3 MET 82 -4.385 2.689 -3.756 660 HE1 MET 82 HE1 MET 82 -5.290 0.953 -1.904 661 HE2 MET 82 HE2 MET 82 -4.400 -0.350 -2.725 662 HE3 MET 82 HE3 MET 82 -4.202 -0.108 -0.964 663 H HIS 83 HN HIS 83 -2.239 1.152 -7.844 664 HA HIS 83 HA HIS 83 -3.419 -1.163 -8.784 665 HB2 HIS 83 HB2 HIS 83 -3.102 1.070 -9.961 666 HB3 HIS 83 HB3 HIS 83 -1.471 0.565 -10.373 667 HD1 HIS 83 HD1 HIS 83 -2.223 0.675 -13.043 668 HD2 HIS 83 HD2 HIS 83 -4.128 -2.180 -10.583 669 HE1 HIS 83 HE1 HIS 83 -3.434 -0.931 -14.583 670 H PHE 84 HN PHE 84 0.024 -0.490 -8.436 671 HA PHE 84 HA PHE 84 1.140 -2.706 -9.754 672 HB2 PHE 84 HB2 PHE 84 2.437 -0.862 -8.890 673 HB3 PHE 84 HB3 PHE 84 2.095 -1.277 -7.237 674 HD1 PHE 84 HD1 PHE 84 2.960 -3.568 -6.305 675 HD2 PHE 84 HD2 PHE 84 4.207 -1.876 -10.076 676 HE1 PHE 84 HE1 PHE 84 4.985 -4.966 -6.266 677 HE2 PHE 84 HE2 PHE 84 6.294 -3.215 -9.977 678 HZ PHE 84 HZ PHE 84 6.690 -4.730 -8.071 679 H ALA 85 HN ALA 85 -0.408 -2.591 -6.555 680 HA ALA 85 HA ALA 85 0.309 -5.262 -5.766 681 HB1 ALA 85 HB1 ALA 85 -2.214 -3.766 -4.978 682 HB2 ALA 85 HB2 ALA 85 -1.454 -5.139 -4.157 683 HB3 ALA 85 HB3 ALA 85 -0.620 -3.578 -4.192 684 H THR 86 HN THR 86 -2.632 -3.974 -7.462 685 HA THR 86 HA THR 86 -3.909 -6.457 -7.721 686 HB THR 86 HB THR 86 -4.092 -4.198 -9.735 687 HG1 THR 86 HG1 THR 86 -5.492 -3.876 -7.369 688 HG21 THR 86 HG21 THR 86 -6.251 -5.849 -8.384 689 HG22 THR 86 HG22 THR 86 -5.687 -6.001 -10.059 690 HG23 THR 86 HG23 THR 86 -6.533 -4.534 -9.546 691 H GLU 87 HN GLU 87 -1.482 -4.818 -9.677 692 HA GLU 87 HA GLU 87 -1.464 -6.487 -11.979 693 HB2 GLU 87 HB2 GLU 87 0.359 -4.551 -10.608 694 HB3 GLU 87 HB3 GLU 87 1.153 -5.685 -11.703 695 HG2 GLU 87 HG2 GLU 87 -1.125 -3.776 -12.404 696 HG3 GLU 87 HG3 GLU 87 0.585 -3.505 -12.727 697 H ASN 88 HN ASN 88 0.666 -6.875 -8.925 698 HA ASN 88 HA ASN 88 1.476 -9.382 -10.233 699 HB2 ASN 88 HB2 ASN 88 2.492 -7.659 -8.029 700 HB3 ASN 88 HB3 ASN 88 3.275 -9.151 -8.438 701 HD21 ASN 88 HD21 ASN 88 2.804 -5.756 -9.112 702 HD22 ASN 88 HD22 ASN 88 3.450 -5.708 -10.717 703 H GLN 89 HN GLN 89 -0.765 -8.363 -8.184 704 HA GLN 89 HA GLN 89 -2.600 -9.397 -7.301 705 HB2 GLN 89 HB2 GLN 89 -1.283 -12.117 -7.537 706 HB3 GLN 89 HB3 GLN 89 -2.965 -11.730 -7.213 707 HG2 GLN 89 HG2 GLN 89 -3.349 -12.081 -9.366 708 HG3 GLN 89 HG3 GLN 89 -2.661 -10.490 -9.644 709 HE21 GLN 89 HE21 GLN 89 -0.751 -10.375 -10.858 710 HE22 GLN 89 HE22 GLN 89 0.285 -11.724 -11.202 711 H LEU 90 HN LEU 90 -0.099 -8.407 -5.806 712 HA LEU 90 HA LEU 90 0.358 -10.109 -3.701 713 HB2 LEU 90 HB2 LEU 90 0.525 -7.094 -3.744 714 HB3 LEU 90 HB3 LEU 90 1.441 -8.254 -2.798 715 HG LEU 90 HG LEU 90 2.952 -7.961 -4.376 716 HD11 LEU 90 HD11 LEU 90 3.292 -9.424 -6.080 717 HD12 LEU 90 HD12 LEU 90 1.637 -10.000 -5.937 718 HD13 LEU 90 HD13 LEU 90 2.728 -10.183 -4.570 719 HD21 LEU 90 HD21 LEU 90 2.088 -6.061 -5.080 720 HD22 LEU 90 HD22 LEU 90 1.307 -6.939 -6.441 721 HD23 LEU 90 HD23 LEU 90 3.108 -6.884 -6.197 722 H ASN 91 HN ASN 91 -0.184 -9.973 -1.557 723 HA ASN 91 HA ASN 91 -2.960 -9.463 -0.990 724 HB2 ASN 91 HB2 ASN 91 -1.308 -11.228 -0.004 725 HB3 ASN 91 HB3 ASN 91 -0.778 -9.916 1.053 726 HD21 ASN 91 HD21 ASN 91 -1.977 -12.223 2.151 727 HD22 ASN 91 HD22 ASN 91 -3.679 -11.923 2.503 728 H ILE 92 HN ILE 92 -3.682 -7.392 -0.804 729 HA ILE 92 HA ILE 92 -1.941 -5.182 0.111 730 HB ILE 92 HB ILE 92 -4.940 -5.124 -0.445 731 HG12 ILE 92 HG12 ILE 92 -2.624 -4.386 -2.280 732 HG13 ILE 92 HG13 ILE 92 -3.716 -5.758 -2.496 733 HG21 ILE 92 HG21 ILE 92 -4.014 -3.299 1.040 734 HG22 ILE 92 HG22 ILE 92 -2.887 -2.854 -0.246 735 HG23 ILE 92 HG23 ILE 92 -4.645 -2.680 -0.469 736 HD11 ILE 92 HD11 ILE 92 -4.458 -4.076 -3.990 737 HD12 ILE 92 HD12 ILE 92 -5.641 -4.141 -2.663 738 HD13 ILE 92 HD13 ILE 92 -4.459 -2.823 -2.740 739 H LEU 93 HN LEU 93 -1.638 -4.920 2.318 740 HA LEU 93 HA LEU 93 -3.739 -5.783 4.130 741 HB2 LEU 93 HB2 LEU 93 -0.857 -5.143 4.794 742 HB3 LEU 93 HB3 LEU 93 -2.071 -6.000 5.758 743 HG LEU 93 HG LEU 93 -0.706 -7.002 3.324 744 HD11 LEU 93 HD11 LEU 93 0.826 -6.827 5.179 745 HD12 LEU 93 HD12 LEU 93 0.495 -8.534 4.812 746 HD13 LEU 93 HD13 LEU 93 -0.290 -7.757 6.201 747 HD21 LEU 93 HD21 LEU 93 -1.612 -9.268 3.952 748 HD22 LEU 93 HD22 LEU 93 -2.838 -8.107 3.410 749 HD23 LEU 93 HD23 LEU 93 -2.636 -8.454 5.144 750 H ASP 94 HN ASP 94 -3.396 -4.522 6.148 751 HA ASP 94 HA ASP 94 -3.387 -1.556 5.629 752 HB2 ASP 94 HB2 ASP 94 -5.013 -1.184 7.196 753 HB3 ASP 94 HB3 ASP 94 -5.566 -2.694 6.515 754 H ALA 95 HN ALA 95 -3.211 -0.670 8.188 755 HA ALA 95 HA ALA 95 -0.389 -0.779 8.659 756 HB1 ALA 95 HB1 ALA 95 -2.607 0.394 10.396 757 HB2 ALA 95 HB2 ALA 95 -0.872 0.735 10.561 758 HB3 ALA 95 HB3 ALA 95 -1.735 1.263 9.104 759 H GLU 96 HN GLU 96 -3.133 -2.433 10.202 760 HA GLU 96 HA GLU 96 -1.489 -3.625 12.322 761 HB2 GLU 96 HB2 GLU 96 -4.249 -4.222 11.239 762 HB3 GLU 96 HB3 GLU 96 -3.522 -5.016 12.641 763 HG2 GLU 96 HG2 GLU 96 -3.328 -2.810 13.777 764 HG3 GLU 96 HG3 GLU 96 -4.101 -2.023 12.386 765 H GLY 97 HN GLY 97 -2.651 -4.446 9.090 766 HA2 GLY 97 HA2 GLY 97 -1.269 -5.670 7.618 767 HA3 GLY 97 HA1 GLY 97 -0.676 -6.682 8.897 768 H ASN 98 HN ASN 98 -4.050 -5.800 8.735 769 HA ASN 98 HA ASN 98 -5.111 -8.508 8.327 770 HB2 ASN 98 HB2 ASN 98 -6.536 -5.816 8.055 771 HB3 ASN 98 HB3 ASN 98 -7.268 -7.383 8.326 772 HD21 ASN 98 HD21 ASN 98 -6.079 -4.593 9.792 773 HD22 ASN 98 HD22 ASN 98 -6.428 -4.989 11.455 774 H SER 99 HN SER 99 -5.837 -9.286 6.219 775 HA SER 99 HA SER 99 -4.921 -7.820 3.908 776 HB2 SER 99 HB2 SER 99 -5.959 -9.761 2.710 777 HB3 SER 99 HB3 SER 99 -4.605 -10.049 3.807 778 HG SER 99 HG SER 99 -5.848 -11.521 4.573 779 H ILE 100 HN ILE 100 -6.022 -6.259 2.824 780 HA ILE 100 HA ILE 100 -8.987 -6.057 3.052 781 HB ILE 100 HB ILE 100 -8.637 -3.582 3.192 782 HG12 ILE 100 HG12 ILE 100 -5.774 -4.121 4.067 783 HG13 ILE 100 HG13 ILE 100 -6.133 -3.762 2.386 784 HG21 ILE 100 HG21 ILE 100 -8.236 -3.555 5.591 785 HG22 ILE 100 HG22 ILE 100 -9.172 -4.992 5.173 786 HG23 ILE 100 HG23 ILE 100 -7.436 -5.130 5.529 787 HD11 ILE 100 HD11 ILE 100 -6.840 -1.961 4.692 788 HD12 ILE 100 HD12 ILE 100 -5.488 -1.734 3.571 789 HD13 ILE 100 HD13 ILE 100 -7.162 -1.623 2.978 790 H ASP 101 HN ASP 101 -9.626 -4.088 1.395 791 HA ASP 101 HA ASP 101 -8.401 -4.774 -1.236 792 HB2 ASP 101 HB2 ASP 101 -11.202 -4.585 -0.451 793 HB3 ASP 101 HB3 ASP 101 -10.858 -3.402 -1.667 794 H ALA 102 HN ALA 102 -8.588 -3.008 -2.726 795 HA ALA 102 HA ALA 102 -7.204 -0.681 -1.575 796 HB1 ALA 102 HB1 ALA 102 -6.966 0.084 -3.894 797 HB2 ALA 102 HB2 ALA 102 -6.551 -1.636 -3.751 798 HB3 ALA 102 HB3 ALA 102 -8.117 -1.148 -4.440 799 H ALA 103 HN ALA 103 -10.508 -1.370 -2.532 800 HA ALA 103 HA ALA 103 -11.489 1.301 -2.784 801 HB1 ALA 103 HB1 ALA 103 -13.681 0.266 -2.247 802 HB2 ALA 103 HB2 ALA 103 -12.790 -0.723 -3.427 803 HB3 ALA 103 HB3 ALA 103 -12.846 -1.207 -1.719 804 H GLN 104 HN GLN 104 -10.652 -0.663 0.070 805 HA GLN 104 HA GLN 104 -12.011 1.082 1.949 806 HB2 GLN 104 HB2 GLN 104 -9.917 -1.119 2.237 807 HB3 GLN 104 HB3 GLN 104 -10.504 -0.183 3.578 808 HG2 GLN 104 HG2 GLN 104 -12.904 -0.944 2.411 809 HG3 GLN 104 HG3 GLN 104 -11.876 -2.332 2.035 810 HE21 GLN 104 HE21 GLN 104 -12.516 -3.899 3.613 811 HE22 GLN 104 HE22 GLN 104 -12.545 -3.521 5.330 812 H VAL 105 HN VAL 105 -9.424 1.776 -0.040 813 HA VAL 105 HA VAL 105 -7.980 3.352 2.012 814 HB VAL 105 HB VAL 105 -6.881 2.152 -0.555 815 HG11 VAL 105 HG11 VAL 105 -4.708 2.571 0.417 816 HG12 VAL 105 HG12 VAL 105 -5.628 4.088 0.386 817 HG13 VAL 105 HG13 VAL 105 -5.446 3.194 1.909 818 HG21 VAL 105 HG21 VAL 105 -5.754 0.457 0.878 819 HG22 VAL 105 HG22 VAL 105 -6.708 1.017 2.267 820 HG23 VAL 105 HG23 VAL 105 -7.503 0.258 0.874 821 H THR 106 HN THR 106 -8.609 3.367 -1.568 822 HA THR 106 HA THR 106 -7.899 6.171 -1.679 823 HB THR 106 HB THR 106 -8.400 5.854 -4.143 824 HG1 THR 106 HG1 THR 106 -9.322 4.146 -4.750 825 HG21 THR 106 HG21 THR 106 -6.418 3.890 -2.937 826 HG22 THR 106 HG22 THR 106 -6.124 5.628 -3.192 827 HG23 THR 106 HG23 THR 106 -6.383 4.567 -4.575 828 H GLU 107 HN GLU 107 -10.382 5.383 -0.176 829 HA GLU 107 HA GLU 107 -12.327 7.242 -1.428 830 HB2 GLU 107 HB2 GLU 107 -12.870 4.605 0.040 831 HB3 GLU 107 HB3 GLU 107 -14.095 5.751 -0.540 832 HG2 GLU 107 HG2 GLU 107 -13.327 5.435 -2.872 833 HG3 GLU 107 HG3 GLU 107 -12.139 4.255 -2.331 834 H ILE 108 HN ILE 108 -10.207 7.017 0.948 835 HA ILE 108 HA ILE 108 -11.860 8.166 3.148 836 HB ILE 108 HB ILE 108 -9.000 7.072 3.110 837 HG12 ILE 108 HG12 ILE 108 -11.562 5.961 4.356 838 HG13 ILE 108 HG13 ILE 108 -10.705 5.304 2.966 839 HG21 ILE 108 HG21 ILE 108 -9.263 8.958 4.730 840 HG22 ILE 108 HG22 ILE 108 -10.602 8.086 5.513 841 HG23 ILE 108 HG23 ILE 108 -8.944 7.438 5.526 842 HD11 ILE 108 HD11 ILE 108 -10.219 3.962 4.890 843 HD12 ILE 108 HD12 ILE 108 -8.742 4.802 4.383 844 HD13 ILE 108 HD13 ILE 108 -9.662 5.351 5.815 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -25.112 -6.144 -2.301 2 HA2 GLY 1 HA2 GLY 1 -22.796 -5.372 -2.115 3 HA3 GLY 1 HA1 GLY 1 -23.412 -3.720 -2.265 4 H MET 2 HN MET 2 -22.853 -6.386 -0.118 5 HA MET 2 HA MET 2 -23.920 -4.885 2.210 6 HB2 MET 2 HB2 MET 2 -24.165 -7.882 1.653 7 HB3 MET 2 HB3 MET 2 -24.435 -7.113 3.216 8 HG2 MET 2 HG2 MET 2 -26.571 -7.374 2.340 9 HG3 MET 2 HG3 MET 2 -26.203 -5.671 2.096 10 HE1 MET 2 HE1 MET 2 -28.599 -6.480 -0.884 11 HE2 MET 2 HE2 MET 2 -28.668 -7.088 0.786 12 HE3 MET 2 HE3 MET 2 -28.244 -5.385 0.476 13 H GLY 3 HN GLY 3 -21.927 -4.050 2.764 14 HA2 GLY 3 HA2 GLY 3 -19.753 -5.446 3.734 15 HA3 GLY 3 HA1 GLY 3 -19.498 -5.300 1.972 16 H THR 4 HN THR 4 -17.642 -4.082 3.076 17 HA THR 4 HA THR 4 -16.540 -2.415 3.998 18 HB THR 4 HB THR 4 -16.771 -0.166 3.009 19 HG1 THR 4 HG1 THR 4 -18.218 0.334 1.680 20 HG21 THR 4 HG21 THR 4 -15.965 -0.818 0.827 21 HG22 THR 4 HG22 THR 4 -16.699 -2.434 0.979 22 HG23 THR 4 HG23 THR 4 -15.343 -1.957 2.036 23 H THR 5 HN THR 5 -19.196 -3.158 5.397 24 HA THR 5 HA THR 5 -19.940 -0.857 6.825 25 HB THR 5 HB THR 5 -20.416 -3.506 8.059 26 HG1 THR 5 HG1 THR 5 -21.597 -4.378 6.451 27 HG21 THR 5 HG21 THR 5 -22.789 -2.813 7.841 28 HG22 THR 5 HG22 THR 5 -22.292 -1.420 6.889 29 HG23 THR 5 HG23 THR 5 -21.804 -1.557 8.587 30 H GLU 6 HN GLU 6 -16.975 -1.875 6.944 31 HA GLU 6 HA GLU 6 -16.609 -1.682 9.895 32 HB2 GLU 6 HB2 GLU 6 -15.195 -3.638 8.042 33 HB3 GLU 6 HB3 GLU 6 -14.639 -3.187 9.641 34 HG2 GLU 6 HG2 GLU 6 -17.255 -3.902 10.188 35 HG3 GLU 6 HG3 GLU 6 -16.858 -4.987 8.861 36 H LYS 7 HN LYS 7 -16.282 0.513 9.592 37 HA LYS 7 HA LYS 7 -14.184 1.648 7.977 38 HB2 LYS 7 HB2 LYS 7 -14.440 3.606 9.444 39 HB3 LYS 7 HB3 LYS 7 -16.035 2.994 8.968 40 HG2 LYS 7 HG2 LYS 7 -16.290 1.878 11.148 41 HG3 LYS 7 HG3 LYS 7 -14.653 2.341 11.629 42 HD2 LYS 7 HD2 LYS 7 -15.278 4.722 11.589 43 HD3 LYS 7 HD3 LYS 7 -16.924 4.279 11.077 44 HE2 LYS 7 HE2 LYS 7 -16.369 2.565 13.258 45 HE3 LYS 7 HE3 LYS 7 -15.623 4.104 13.758 46 HZ1 LYS 7 HZ1 LYS 7 -18.414 3.816 12.816 47 HZ2 LYS 7 HZ2 LYS 7 -17.750 5.150 13.557 48 HZ3 LYS 7 HZ3 LYS 7 -17.946 3.760 14.395 49 H SER 8 HN SER 8 -12.264 2.703 8.958 50 HA SER 8 HA SER 8 -11.382 1.889 11.583 51 HB2 SER 8 HB2 SER 8 -10.548 0.041 10.106 52 HB3 SER 8 HB3 SER 8 -9.581 1.235 9.214 53 HG SER 8 HG SER 8 -8.565 0.069 11.042 54 H GLY 9 HN GLY 9 -8.788 2.907 11.313 55 HA2 GLY 9 HA2 GLY 9 -9.043 5.724 10.348 56 HA3 GLY 9 HA1 GLY 9 -8.590 5.409 12.033 57 H ILE 10 HN ILE 10 -7.682 3.519 9.168 58 HA ILE 10 HA ILE 10 -4.924 3.279 9.880 59 HB ILE 10 HB ILE 10 -6.409 2.714 7.284 60 HG12 ILE 10 HG12 ILE 10 -5.770 0.575 9.352 61 HG13 ILE 10 HG13 ILE 10 -7.259 1.493 9.454 62 HG21 ILE 10 HG21 ILE 10 -4.606 1.072 6.846 63 HG22 ILE 10 HG22 ILE 10 -3.962 2.697 7.027 64 HG23 ILE 10 HG23 ILE 10 -3.824 1.535 8.365 65 HD11 ILE 10 HD11 ILE 10 -7.909 0.805 7.173 66 HD12 ILE 10 HD12 ILE 10 -6.444 -0.196 7.060 67 HD13 ILE 10 HD13 ILE 10 -7.685 -0.572 8.264 68 H LYS 11 HN LYS 11 -3.173 4.473 9.147 69 HA LYS 11 HA LYS 11 -3.645 6.586 7.094 70 HB2 LYS 11 HB2 LYS 11 -1.603 6.678 9.322 71 HB3 LYS 11 HB3 LYS 11 -2.008 7.960 8.202 72 HG2 LYS 11 HG2 LYS 11 -3.254 8.720 9.856 73 HG3 LYS 11 HG3 LYS 11 -4.473 7.608 9.254 74 HD2 LYS 11 HD2 LYS 11 -3.737 5.921 10.939 75 HD3 LYS 11 HD3 LYS 11 -2.459 7.002 11.492 76 HE2 LYS 11 HE2 LYS 11 -5.455 7.559 11.632 77 HE3 LYS 11 HE3 LYS 11 -4.434 7.026 12.970 78 HZ1 LYS 11 HZ1 LYS 11 -4.347 9.628 11.581 79 HZ2 LYS 11 HZ2 LYS 11 -3.119 9.109 12.590 80 HZ3 LYS 11 HZ3 LYS 11 -4.630 9.312 13.157 81 H GLU 12 HN GLU 12 -2.422 3.791 6.806 82 HA GLU 12 HA GLU 12 -0.947 4.626 4.542 83 HB2 GLU 12 HB2 GLU 12 1.226 3.673 4.953 84 HB3 GLU 12 HB3 GLU 12 0.859 4.885 6.187 85 HG2 GLU 12 HG2 GLU 12 0.592 3.374 7.856 86 HG3 GLU 12 HG3 GLU 12 0.511 1.976 6.738 87 H ILE 13 HN ILE 13 0.065 2.585 3.410 88 HA ILE 13 HA ILE 13 -1.450 0.101 4.002 89 HB ILE 13 HB ILE 13 -1.268 -0.331 1.488 90 HG12 ILE 13 HG12 ILE 13 -1.350 2.647 1.061 91 HG13 ILE 13 HG13 ILE 13 0.224 1.907 1.263 92 HG21 ILE 13 HG21 ILE 13 -3.210 1.840 2.284 93 HG22 ILE 13 HG22 ILE 13 -3.390 0.600 1.018 94 HG23 ILE 13 HG23 ILE 13 -3.380 0.128 2.724 95 HD11 ILE 13 HD11 ILE 13 0.004 0.502 -0.589 96 HD12 ILE 13 HD12 ILE 13 -1.731 0.845 -0.756 97 HD13 ILE 13 HD13 ILE 13 -0.522 2.110 -1.126 98 H ILE 14 HN ILE 14 -0.295 -1.800 3.372 99 HA ILE 14 HA ILE 14 2.574 -1.408 2.795 100 HB ILE 14 HB ILE 14 1.428 -3.257 4.919 101 HG12 ILE 14 HG12 ILE 14 3.076 -0.680 5.092 102 HG13 ILE 14 HG13 ILE 14 1.443 -0.948 5.710 103 HG21 ILE 14 HG21 ILE 14 4.302 -2.733 4.011 104 HG22 ILE 14 HG22 ILE 14 3.789 -3.848 5.308 105 HG23 ILE 14 HG23 ILE 14 3.353 -4.202 3.646 106 HD11 ILE 14 HD11 ILE 14 2.390 -2.652 7.309 107 HD12 ILE 14 HD12 ILE 14 4.010 -2.100 6.801 108 HD13 ILE 14 HD13 ILE 14 2.892 -0.969 7.568 109 H ILE 15 HN ILE 15 2.492 -2.015 0.699 110 HA ILE 15 HA ILE 15 0.823 -4.238 -0.249 111 HB ILE 15 HB ILE 15 3.088 -2.736 -1.610 112 HG12 ILE 15 HG12 ILE 15 1.508 -1.075 -1.271 113 HG13 ILE 15 HG13 ILE 15 1.231 -1.635 -2.916 114 HG21 ILE 15 HG21 ILE 15 2.400 -3.613 -3.702 115 HG22 ILE 15 HG22 ILE 15 2.479 -5.019 -2.633 116 HG23 ILE 15 HG23 ILE 15 0.920 -4.304 -3.051 117 HD11 ILE 15 HD11 ILE 15 -0.693 -3.053 -2.018 118 HD12 ILE 15 HD12 ILE 15 -0.495 -2.188 -0.481 119 HD13 ILE 15 HD13 ILE 15 -0.918 -1.301 -1.958 120 H GLN 16 HN GLN 16 1.352 -6.244 0.578 121 HA GLN 16 HA GLN 16 3.989 -6.833 1.494 122 HB2 GLN 16 HB2 GLN 16 1.561 -7.863 2.103 123 HB3 GLN 16 HB3 GLN 16 2.066 -9.044 0.894 124 HG2 GLN 16 HG2 GLN 16 4.155 -9.426 2.196 125 HG3 GLN 16 HG3 GLN 16 3.600 -8.243 3.397 126 HE21 GLN 16 HE21 GLN 16 3.464 -9.691 5.221 127 HE22 GLN 16 HE22 GLN 16 2.438 -11.079 5.190 128 H GLY 17 HN GLY 17 5.538 -8.289 0.627 129 HA2 GLY 17 HA2 GLY 17 5.504 -8.577 -2.308 130 HA3 GLY 17 HA1 GLY 17 6.880 -8.797 -1.299 131 H LEU 18 HN LEU 18 3.704 -10.256 -0.535 132 HA LEU 18 HA LEU 18 4.446 -12.941 -1.418 133 HB2 LEU 18 HB2 LEU 18 3.544 -11.855 1.201 134 HB3 LEU 18 HB3 LEU 18 2.382 -12.980 0.519 135 HG LEU 18 HG LEU 18 4.128 -14.728 0.346 136 HD11 LEU 18 HD11 LEU 18 6.286 -14.463 1.469 137 HD12 LEU 18 HD12 LEU 18 5.902 -12.788 1.916 138 HD13 LEU 18 HD13 LEU 18 6.175 -13.214 0.218 139 HD21 LEU 18 HD21 LEU 18 2.624 -14.439 2.279 140 HD22 LEU 18 HD22 LEU 18 3.741 -13.290 3.001 141 HD23 LEU 18 HD23 LEU 18 4.204 -15.004 2.843 142 H THR 19 HN THR 19 2.724 -13.858 -2.619 143 HA THR 19 HA THR 19 0.569 -12.061 -3.447 144 HB THR 19 HB THR 19 -0.112 -13.710 -4.946 145 HG1 THR 19 HG1 THR 19 0.540 -15.765 -4.972 146 HG21 THR 19 HG21 THR 19 1.825 -14.135 -6.307 147 HG22 THR 19 HG22 THR 19 2.914 -14.137 -4.908 148 HG23 THR 19 HG23 THR 19 2.152 -12.614 -5.460 149 H ARG 20 HN ARG 20 -1.711 -12.835 -3.203 150 HA ARG 20 HA ARG 20 -2.485 -13.379 -0.593 151 HB2 ARG 20 HB2 ARG 20 -4.690 -13.776 -1.514 152 HB3 ARG 20 HB3 ARG 20 -3.931 -12.321 -2.135 153 HG2 ARG 20 HG2 ARG 20 -3.326 -13.651 -4.219 154 HG3 ARG 20 HG3 ARG 20 -4.306 -14.975 -3.607 155 HD2 ARG 20 HD2 ARG 20 -5.394 -12.166 -3.844 156 HD3 ARG 20 HD3 ARG 20 -5.335 -13.239 -5.240 157 HE ARG 20 HE ARG 20 -6.656 -14.320 -2.839 158 HH11 ARG 20 HH11 ARG 20 -7.186 -12.486 -5.835 159 HH12 ARG 20 HH12 ARG 20 -8.637 -13.305 -6.280 160 HH21 ARG 20 HH21 ARG 20 -8.643 -15.334 -3.339 161 HH22 ARG 20 HH22 ARG 20 -9.692 -14.692 -4.562 162 H ALA 21 HN ALA 21 -1.379 -15.607 -2.921 163 HA ALA 21 HA ALA 21 -2.545 -17.992 -1.644 164 HB1 ALA 21 HB1 ALA 21 -0.561 -17.717 -3.944 165 HB2 ALA 21 HB2 ALA 21 -1.379 -19.202 -3.434 166 HB3 ALA 21 HB3 ALA 21 -2.332 -17.867 -4.089 167 H GLY 22 HN GLY 22 -0.202 -15.960 -0.534 168 HA2 GLY 22 HA2 GLY 22 1.400 -16.226 1.009 169 HA3 GLY 22 HA1 GLY 22 0.824 -17.881 1.245 170 H LYS 23 HN LYS 23 2.228 -16.568 -1.797 171 HA LYS 23 HA LYS 23 4.753 -17.972 -1.226 172 HB2 LYS 23 HB2 LYS 23 3.009 -18.057 -3.711 173 HB3 LYS 23 HB3 LYS 23 4.755 -18.167 -3.840 174 HG2 LYS 23 HG2 LYS 23 4.332 -20.383 -3.684 175 HG3 LYS 23 HG3 LYS 23 4.571 -19.984 -1.995 176 HD2 LYS 23 HD2 LYS 23 2.311 -20.238 -1.453 177 HD3 LYS 23 HD3 LYS 23 1.784 -20.150 -3.147 178 HE2 LYS 23 HE2 LYS 23 2.479 -22.322 -3.643 179 HE3 LYS 23 HE3 LYS 23 3.702 -22.341 -2.362 180 HZ1 LYS 23 HZ1 LYS 23 1.792 -23.784 -1.890 181 HZ2 LYS 23 HZ2 LYS 23 0.801 -22.470 -1.820 182 HZ3 LYS 23 HZ3 LYS 23 2.058 -22.662 -0.746 183 HA PRO 24 HA PRO 24 6.257 -13.928 -1.894 184 HB2 PRO 24 HB2 PRO 24 8.916 -14.306 -2.394 185 HB3 PRO 24 HB3 PRO 24 8.160 -14.585 -0.800 186 HG2 PRO 24 HG2 PRO 24 8.842 -16.620 -2.917 187 HG3 PRO 24 HG3 PRO 24 9.096 -16.717 -1.159 188 HD2 PRO 24 HD2 PRO 24 6.956 -17.894 -2.428 189 HD3 PRO 24 HD3 PRO 24 6.860 -17.269 -0.761 190 H PHE 25 HN PHE 25 6.305 -12.484 -3.479 191 HA PHE 25 HA PHE 25 6.059 -13.330 -6.281 192 HB2 PHE 25 HB2 PHE 25 4.676 -11.556 -5.343 193 HB3 PHE 25 HB3 PHE 25 6.114 -10.636 -4.878 194 HD1 PHE 25 HD1 PHE 25 4.792 -12.273 -8.053 195 HD2 PHE 25 HD2 PHE 25 6.383 -8.724 -6.163 196 HE1 PHE 25 HE1 PHE 25 4.720 -11.069 -10.213 197 HE2 PHE 25 HE2 PHE 25 6.295 -7.532 -8.328 198 HZ PHE 25 HZ PHE 25 5.482 -8.721 -10.363 199 H ARG 26 HN ARG 26 7.556 -12.047 -7.916 200 HA ARG 26 HA ARG 26 10.223 -11.566 -6.837 201 HB2 ARG 26 HB2 ARG 26 9.636 -13.711 -8.812 202 HB3 ARG 26 HB3 ARG 26 10.836 -12.596 -9.335 203 HG2 ARG 26 HG2 ARG 26 12.053 -14.291 -8.420 204 HG3 ARG 26 HG3 ARG 26 12.126 -13.046 -7.177 205 HD2 ARG 26 HD2 ARG 26 10.617 -14.261 -5.755 206 HD3 ARG 26 HD3 ARG 26 10.095 -15.308 -7.087 207 HE ARG 26 HE ARG 26 12.193 -16.437 -7.098 208 HH11 ARG 26 HH11 ARG 26 12.055 -14.245 -4.234 209 HH12 ARG 26 HH12 ARG 26 13.063 -15.313 -3.310 210 HH21 ARG 26 HH21 ARG 26 13.609 -17.611 -5.896 211 HH22 ARG 26 HH22 ARG 26 14.019 -17.158 -4.269 212 HA PRO 27 HA PRO 27 12.171 -11.068 -8.306 213 HB2 PRO 27 HB2 PRO 27 13.570 -8.699 -8.309 214 HB3 PRO 27 HB3 PRO 27 13.195 -9.577 -9.836 215 HG2 PRO 27 HG2 PRO 27 11.703 -7.262 -8.552 216 HG3 PRO 27 HG3 PRO 27 12.252 -7.429 -10.249 217 HD2 PRO 27 HD2 PRO 27 9.707 -8.052 -9.515 218 HD3 PRO 27 HD3 PRO 27 10.594 -9.035 -10.728 219 H SER 28 HN SER 28 13.583 -10.520 -6.306 220 HA SER 28 HA SER 28 11.931 -9.644 -4.102 221 HB2 SER 28 HB2 SER 28 14.350 -9.695 -2.993 222 HB3 SER 28 HB3 SER 28 13.438 -11.159 -3.382 223 HG SER 28 HG SER 28 15.573 -10.040 -4.900 224 H ASP 29 HN ASP 29 13.598 -7.864 -6.502 225 HA ASP 29 HA ASP 29 14.084 -5.540 -4.779 226 HB2 ASP 29 HB2 ASP 29 15.387 -6.528 -6.960 227 HB3 ASP 29 HB3 ASP 29 14.285 -5.382 -7.761 228 H TRP 30 HN TRP 30 11.240 -6.690 -6.099 229 HA TRP 30 HA TRP 30 10.359 -4.650 -7.776 230 HB2 TRP 30 HB2 TRP 30 8.200 -5.525 -7.608 231 HB3 TRP 30 HB3 TRP 30 9.259 -6.900 -7.392 232 HD1 TRP 30 HD1 TRP 30 9.017 -8.237 -5.088 233 HE1 TRP 30 HE1 TRP 30 7.492 -8.089 -3.102 234 HE3 TRP 30 HE3 TRP 30 6.866 -3.664 -6.069 235 HZ2 TRP 30 HZ2 TRP 30 5.478 -6.207 -2.034 236 HZ3 TRP 30 HZ3 TRP 30 5.194 -2.729 -4.510 237 HH2 TRP 30 HH2 TRP 30 4.575 -3.982 -2.467 238 H VAL 31 HN VAL 31 10.162 -4.775 -4.248 239 HA VAL 31 HA VAL 31 8.549 -2.446 -3.867 240 HB VAL 31 HB VAL 31 10.610 -3.863 -2.132 241 HG11 VAL 31 HG11 VAL 31 9.635 -2.575 -0.193 242 HG12 VAL 31 HG12 VAL 31 10.580 -1.563 -1.303 243 HG13 VAL 31 HG13 VAL 31 8.831 -1.518 -1.368 244 HG21 VAL 31 HG21 VAL 31 8.670 -5.179 -2.456 245 HG22 VAL 31 HG22 VAL 31 8.504 -4.465 -0.850 246 HG23 VAL 31 HG23 VAL 31 7.591 -3.790 -2.192 247 H ASP 32 HN ASP 32 12.089 -2.902 -4.368 248 HA ASP 32 HA ASP 32 12.795 -0.276 -3.404 249 HB2 ASP 32 HB2 ASP 32 14.094 -2.630 -4.507 250 HB3 ASP 32 HB3 ASP 32 14.753 -1.170 -5.253 251 H ARG 33 HN ARG 33 12.096 -1.736 -6.569 252 HA ARG 33 HA ARG 33 12.496 0.622 -8.140 253 HB2 ARG 33 HB2 ARG 33 10.628 -1.758 -8.569 254 HB3 ARG 33 HB3 ARG 33 10.805 -0.417 -9.697 255 HG2 ARG 33 HG2 ARG 33 13.444 -1.072 -9.311 256 HG3 ARG 33 HG3 ARG 33 12.701 -2.651 -9.106 257 HD2 ARG 33 HD2 ARG 33 11.600 -2.447 -11.299 258 HD3 ARG 33 HD3 ARG 33 12.143 -0.765 -11.441 259 HE ARG 33 HE ARG 33 14.503 -2.136 -11.175 260 HH11 ARG 33 HH11 ARG 33 11.784 -1.980 -13.465 261 HH12 ARG 33 HH12 ARG 33 12.744 -2.365 -14.838 262 HH21 ARG 33 HH21 ARG 33 15.725 -2.900 -13.001 263 HH22 ARG 33 HH22 ARG 33 15.061 -2.635 -14.589 264 H MET 34 HN MET 34 9.465 -0.598 -6.562 265 HA MET 34 HA MET 34 7.958 1.642 -7.610 266 HB2 MET 34 HB2 MET 34 7.431 -0.252 -5.324 267 HB3 MET 34 HB3 MET 34 6.280 1.022 -5.820 268 HG2 MET 34 HG2 MET 34 7.331 -1.246 -7.522 269 HG3 MET 34 HG3 MET 34 5.797 -1.242 -6.730 270 HE1 MET 34 HE1 MET 34 3.505 0.919 -8.860 271 HE2 MET 34 HE2 MET 34 3.670 -0.367 -7.650 272 HE3 MET 34 HE3 MET 34 4.195 1.290 -7.263 273 H CYS 35 HN CYS 35 9.435 1.125 -4.379 274 HA CYS 35 HA CYS 35 8.800 3.537 -3.088 275 HB2 CYS 35 HB2 CYS 35 10.134 1.336 -2.421 276 HB3 CYS 35 HB3 CYS 35 11.564 2.280 -2.885 277 HG CYS 35 HG CYS 35 9.128 3.014 -0.760 278 H SER 36 HN SER 36 11.493 2.753 -5.457 279 HA SER 36 HA SER 36 12.716 5.344 -5.439 280 HB2 SER 36 HB2 SER 36 12.898 3.190 -7.505 281 HB3 SER 36 HB3 SER 36 13.935 4.605 -7.348 282 HG SER 36 HG SER 36 13.699 2.369 -5.672 283 H THR 37 HN THR 37 9.884 4.119 -7.158 284 HA THR 37 HA THR 37 10.160 5.840 -9.475 285 HB THR 37 HB THR 37 7.866 4.154 -8.385 286 HG1 THR 37 HG1 THR 37 9.714 2.977 -8.968 287 HG21 THR 37 HG21 THR 37 7.078 4.103 -10.774 288 HG22 THR 37 HG22 THR 37 8.188 5.454 -11.116 289 HG23 THR 37 HG23 THR 37 6.845 5.652 -9.965 290 H TYR 38 HN TYR 38 9.514 6.598 -6.334 291 HA TYR 38 HA TYR 38 8.020 9.057 -7.079 292 HB2 TYR 38 HB2 TYR 38 7.678 7.199 -4.691 293 HB3 TYR 38 HB3 TYR 38 6.952 8.807 -4.797 294 HD1 TYR 38 HD1 TYR 38 5.465 9.395 -6.664 295 HD2 TYR 38 HD2 TYR 38 6.674 5.313 -5.979 296 HE1 TYR 38 HE1 TYR 38 3.676 8.628 -8.189 297 HE2 TYR 38 HE2 TYR 38 4.893 4.534 -7.527 298 HH TYR 38 HH TYR 38 2.942 5.214 -8.705 299 H ALA 39 HN ALA 39 10.940 8.465 -6.895 300 HA ALA 39 HA ALA 39 11.761 9.859 -4.404 301 HB1 ALA 39 HB1 ALA 39 13.265 7.819 -6.088 302 HB2 ALA 39 HB2 ALA 39 13.653 8.343 -4.460 303 HB3 ALA 39 HB3 ALA 39 12.210 7.370 -4.726 304 H SER 40 HN SER 40 14.040 10.735 -4.665 305 HA SER 40 HA SER 40 14.805 11.724 -7.351 306 HB2 SER 40 HB2 SER 40 14.053 13.518 -4.988 307 HB3 SER 40 HB3 SER 40 15.175 14.045 -6.256 308 HG SER 40 HG SER 40 13.665 14.052 -7.717 309 H PHE 41 HN PHE 41 17.035 12.175 -7.475 310 HA PHE 41 HA PHE 41 18.819 11.508 -5.316 311 HB2 PHE 41 HB2 PHE 41 19.002 13.029 -7.890 312 HB3 PHE 41 HB3 PHE 41 20.268 13.244 -6.696 313 HD1 PHE 41 HD1 PHE 41 18.804 9.858 -6.832 314 HD2 PHE 41 HD2 PHE 41 21.853 12.436 -8.454 315 HE1 PHE 41 HE1 PHE 41 20.163 7.899 -7.398 316 HE2 PHE 41 HE2 PHE 41 23.182 10.453 -9.078 317 HZ PHE 41 HZ PHE 41 22.366 8.175 -8.527 318 H GLY 42 HN GLY 42 19.195 12.520 -3.616 319 HA2 GLY 42 HA2 GLY 42 18.303 15.225 -2.873 320 HA3 GLY 42 HA1 GLY 42 19.371 14.143 -1.966 321 H ALA 43 HN ALA 43 20.041 16.720 -2.132 322 HA ALA 43 HA ALA 43 21.471 17.639 -4.295 323 HB1 ALA 43 HB1 ALA 43 20.754 18.997 -2.367 324 HB2 ALA 43 HB2 ALA 43 21.974 18.200 -1.344 325 HB3 ALA 43 HB3 ALA 43 22.472 19.221 -2.705 326 H ASP 44 HN ASP 44 22.562 15.062 -2.143 327 HA ASP 44 HA ASP 44 25.364 15.536 -2.841 328 HB2 ASP 44 HB2 ASP 44 24.422 14.783 -0.544 329 HB3 ASP 44 HB3 ASP 44 24.368 13.173 -1.264 330 H ARG 45 HN ARG 45 23.107 14.584 -4.724 331 HA ARG 45 HA ARG 45 22.756 13.212 -6.461 332 HB2 ARG 45 HB2 ARG 45 25.715 12.577 -6.535 333 HB3 ARG 45 HB3 ARG 45 24.527 12.344 -7.802 334 HG2 ARG 45 HG2 ARG 45 25.416 14.238 -8.568 335 HG3 ARG 45 HG3 ARG 45 24.184 14.984 -7.546 336 HD2 ARG 45 HD2 ARG 45 25.787 15.534 -5.865 337 HD3 ARG 45 HD3 ARG 45 26.992 14.386 -6.491 338 HE ARG 45 HE ARG 45 26.961 15.782 -8.580 339 HH11 ARG 45 HH11 ARG 45 26.905 17.210 -5.348 340 HH12 ARG 45 HH12 ARG 45 26.834 18.856 -5.910 341 HH21 ARG 45 HH21 ARG 45 27.014 17.927 -9.357 342 HH22 ARG 45 HH22 ARG 45 26.775 19.254 -8.317 343 H LYS 46 HN LYS 46 21.936 12.051 -4.194 344 HA LYS 46 HA LYS 46 22.409 9.220 -4.799 345 HB2 LYS 46 HB2 LYS 46 23.881 10.268 -2.750 346 HB3 LYS 46 HB3 LYS 46 22.403 9.913 -1.867 347 HG2 LYS 46 HG2 LYS 46 23.812 7.858 -3.618 348 HG3 LYS 46 HG3 LYS 46 24.312 8.158 -1.967 349 HD2 LYS 46 HD2 LYS 46 22.170 7.461 -1.077 350 HD3 LYS 46 HD3 LYS 46 21.499 7.277 -2.713 351 HE2 LYS 46 HE2 LYS 46 23.207 5.590 -3.253 352 HE3 LYS 46 HE3 LYS 46 23.893 5.733 -1.640 353 HZ1 LYS 46 HZ1 LYS 46 21.066 4.967 -2.050 354 HZ2 LYS 46 HZ2 LYS 46 21.994 4.740 -0.712 355 HZ3 LYS 46 HZ3 LYS 46 22.268 3.864 -2.066 356 H LEU 47 HN LEU 47 20.523 8.052 -4.492 357 HA LEU 47 HA LEU 47 18.098 9.475 -4.691 358 HB2 LEU 47 HB2 LEU 47 18.915 6.605 -4.451 359 HB3 LEU 47 HB3 LEU 47 17.331 6.942 -3.836 360 HG LEU 47 HG LEU 47 18.238 7.539 -6.671 361 HD11 LEU 47 HD11 LEU 47 17.938 5.147 -6.176 362 HD12 LEU 47 HD12 LEU 47 16.721 5.756 -7.290 363 HD13 LEU 47 HD13 LEU 47 16.285 5.478 -5.589 364 HD21 LEU 47 HD21 LEU 47 16.574 9.177 -6.184 365 HD22 LEU 47 HD22 LEU 47 15.604 8.004 -5.273 366 HD23 LEU 47 HD23 LEU 47 15.744 7.896 -7.044 367 H ARG 48 HN ARG 48 16.406 9.854 -3.352 368 HA ARG 48 HA ARG 48 16.319 8.853 -0.577 369 HB2 ARG 48 HB2 ARG 48 15.889 11.720 -1.574 370 HB3 ARG 48 HB3 ARG 48 14.917 11.084 -0.274 371 HG2 ARG 48 HG2 ARG 48 16.532 12.164 0.903 372 HG3 ARG 48 HG3 ARG 48 17.165 10.512 0.927 373 HD2 ARG 48 HD2 ARG 48 18.775 11.055 -0.818 374 HD3 ARG 48 HD3 ARG 48 17.985 12.593 -1.154 375 HE ARG 48 HE ARG 48 19.809 11.924 1.043 376 HH11 ARG 48 HH11 ARG 48 17.414 14.354 -0.141 377 HH12 ARG 48 HH12 ARG 48 18.086 15.602 0.881 378 HH21 ARG 48 HH21 ARG 48 20.551 13.726 2.439 379 HH22 ARG 48 HH22 ARG 48 19.756 15.241 2.260 380 H TYR 49 HN TYR 49 14.502 7.618 -0.561 381 HA TYR 49 HA TYR 49 12.465 7.593 -2.541 382 HB2 TYR 49 HB2 TYR 49 12.250 6.829 0.381 383 HB3 TYR 49 HB3 TYR 49 11.207 6.286 -0.916 384 HD1 TYR 49 HD1 TYR 49 12.954 5.388 -3.057 385 HD2 TYR 49 HD2 TYR 49 13.471 5.004 1.199 386 HE1 TYR 49 HE1 TYR 49 14.357 3.409 -3.427 387 HE2 TYR 49 HE2 TYR 49 14.880 2.997 0.853 388 HH TYR 49 HH TYR 49 15.448 1.489 -2.330 389 H SER 50 HN SER 50 10.137 8.183 -2.126 390 HA SER 50 HA SER 50 9.722 10.914 -1.363 391 HB2 SER 50 HB2 SER 50 8.099 8.620 -2.189 392 HB3 SER 50 HB3 SER 50 7.287 9.514 -0.911 393 HG SER 50 HG SER 50 8.271 10.404 -3.432 394 HA PRO 51 HA PRO 51 9.672 10.588 3.087 395 HB2 PRO 51 HB2 PRO 51 7.877 12.522 3.813 396 HB3 PRO 51 HB3 PRO 51 9.479 12.898 3.104 397 HG2 PRO 51 HG2 PRO 51 6.815 12.695 1.653 398 HG3 PRO 51 HG3 PRO 51 8.008 14.037 1.587 399 HD2 PRO 51 HD2 PRO 51 7.982 12.122 -0.302 400 HD3 PRO 51 HD3 PRO 51 9.533 12.750 0.322 401 H TYR 52 HN TYR 52 7.040 9.685 1.123 402 HA TYR 52 HA TYR 52 5.278 8.769 3.319 403 HB2 TYR 52 HB2 TYR 52 4.750 9.332 0.389 404 HB3 TYR 52 HB3 TYR 52 3.547 8.813 1.551 405 HD1 TYR 52 HD1 TYR 52 3.951 10.486 3.923 406 HD2 TYR 52 HD2 TYR 52 4.244 11.544 -0.261 407 HE1 TYR 52 HE1 TYR 52 3.536 12.808 4.498 408 HE2 TYR 52 HE2 TYR 52 3.839 13.899 0.318 409 HH TYR 52 HH TYR 52 3.453 15.020 3.701 410 H LEU 53 HN LEU 53 7.832 7.345 2.009 411 HA LEU 53 HA LEU 53 6.489 4.823 2.213 412 HB2 LEU 53 HB2 LEU 53 7.273 4.264 -0.168 413 HB3 LEU 53 HB3 LEU 53 5.773 5.114 0.120 414 HG LEU 53 HG LEU 53 7.571 7.100 -0.300 415 HD11 LEU 53 HD11 LEU 53 9.015 5.386 -1.371 416 HD12 LEU 53 HD12 LEU 53 8.508 6.627 -2.527 417 HD13 LEU 53 HD13 LEU 53 7.678 5.080 -2.506 418 HD21 LEU 53 HD21 LEU 53 5.279 7.337 -0.773 419 HD22 LEU 53 HD22 LEU 53 5.299 5.957 -1.845 420 HD23 LEU 53 HD23 LEU 53 6.105 7.482 -2.344 421 H LYS 54 HN LYS 54 7.805 3.110 2.277 422 HA LYS 54 HA LYS 54 10.671 3.261 1.874 423 HB2 LYS 54 HB2 LYS 54 9.419 2.822 4.633 424 HB3 LYS 54 HB3 LYS 54 11.039 2.307 4.204 425 HG2 LYS 54 HG2 LYS 54 11.320 4.855 3.460 426 HG3 LYS 54 HG3 LYS 54 9.932 5.073 4.555 427 HD2 LYS 54 HD2 LYS 54 11.974 5.535 5.746 428 HD3 LYS 54 HD3 LYS 54 11.252 4.048 6.386 429 HE2 LYS 54 HE2 LYS 54 12.807 2.713 4.912 430 HE3 LYS 54 HE3 LYS 54 13.481 4.235 4.284 431 HZ1 LYS 54 HZ1 LYS 54 14.846 3.266 5.976 432 HZ2 LYS 54 HZ2 LYS 54 13.605 3.322 7.085 433 HZ3 LYS 54 HZ3 LYS 54 14.238 4.711 6.509 434 HA PRO 55 HA PRO 55 9.540 -1.220 1.831 435 HB2 PRO 55 HB2 PRO 55 11.953 -2.379 2.398 436 HB3 PRO 55 HB3 PRO 55 11.557 -1.737 0.793 437 HG2 PRO 55 HG2 PRO 55 13.147 -0.386 2.957 438 HG3 PRO 55 HG3 PRO 55 13.530 -0.512 1.215 439 HD2 PRO 55 HD2 PRO 55 12.355 1.698 2.361 440 HD3 PRO 55 HD3 PRO 55 12.018 1.197 0.680 441 H ARG 56 HN ARG 56 9.630 -2.869 3.443 442 HA ARG 56 HA ARG 56 10.609 -2.212 6.169 443 HB2 ARG 56 HB2 ARG 56 7.787 -3.000 5.512 444 HB3 ARG 56 HB3 ARG 56 8.534 -3.715 6.937 445 HG2 ARG 56 HG2 ARG 56 9.159 -1.358 7.673 446 HG3 ARG 56 HG3 ARG 56 8.085 -0.775 6.376 447 HD2 ARG 56 HD2 ARG 56 6.283 -2.215 7.324 448 HD3 ARG 56 HD3 ARG 56 7.326 -2.652 8.675 449 HE ARG 56 HE ARG 56 5.885 -0.153 8.225 450 HH11 ARG 56 HH11 ARG 56 8.315 -1.707 10.358 451 HH12 ARG 56 HH12 ARG 56 8.185 -0.455 11.533 452 HH21 ARG 56 HH21 ARG 56 5.664 1.280 9.779 453 HH22 ARG 56 HH22 ARG 56 6.705 1.393 11.178 454 H VAL 57 HN VAL 57 10.364 -4.648 7.367 455 HA VAL 57 HA VAL 57 10.917 -6.759 5.421 456 HB VAL 57 HB VAL 57 12.734 -6.316 7.798 457 HG11 VAL 57 HG11 VAL 57 12.708 -8.462 5.624 458 HG12 VAL 57 HG12 VAL 57 13.960 -8.268 6.872 459 HG13 VAL 57 HG13 VAL 57 12.323 -8.727 7.345 460 HG21 VAL 57 HG21 VAL 57 13.351 -4.805 5.993 461 HG22 VAL 57 HG22 VAL 57 14.486 -6.148 5.977 462 HG23 VAL 57 HG23 VAL 57 13.159 -6.103 4.782 463 H ILE 58 HN ILE 58 8.756 -7.488 5.790 464 HA ILE 58 HA ILE 58 8.025 -8.189 8.615 465 HB ILE 58 HB ILE 58 6.235 -7.689 6.180 466 HG12 ILE 58 HG12 ILE 58 6.602 -6.187 8.840 467 HG13 ILE 58 HG13 ILE 58 7.234 -5.641 7.287 468 HG21 ILE 58 HG21 ILE 58 5.522 -8.573 9.001 469 HG22 ILE 58 HG22 ILE 58 4.350 -8.011 7.798 470 HG23 ILE 58 HG23 ILE 58 5.259 -9.457 7.477 471 HD11 ILE 58 HD11 ILE 58 4.829 -5.697 6.423 472 HD12 ILE 58 HD12 ILE 58 4.348 -5.838 8.137 473 HD13 ILE 58 HD13 ILE 58 5.257 -4.414 7.585 474 H GLU 59 HN GLU 59 8.176 -10.308 9.030 475 HA GLU 59 HA GLU 59 8.779 -12.516 8.690 476 HB2 GLU 59 HB2 GLU 59 6.785 -12.396 6.401 477 HB3 GLU 59 HB3 GLU 59 7.239 -13.790 7.366 478 HG2 GLU 59 HG2 GLU 59 6.291 -12.616 9.402 479 HG3 GLU 59 HG3 GLU 59 5.734 -11.329 8.356 480 H GLY 60 HN GLY 60 10.401 -10.543 7.214 481 HA2 GLY 60 HA2 GLY 60 12.321 -10.686 5.902 482 HA3 GLY 60 HA1 GLY 60 11.895 -12.313 5.435 483 H VAL 61 HN VAL 61 9.156 -10.343 4.850 484 HA VAL 61 HA VAL 61 9.694 -10.360 1.980 485 HB VAL 61 HB VAL 61 7.518 -10.997 3.278 486 HG11 VAL 61 HG11 VAL 61 6.681 -8.203 2.644 487 HG12 VAL 61 HG12 VAL 61 5.937 -9.424 3.725 488 HG13 VAL 61 HG13 VAL 61 7.396 -8.530 4.204 489 HG21 VAL 61 HG21 VAL 61 7.804 -11.096 0.868 490 HG22 VAL 61 HG22 VAL 61 6.218 -10.442 1.290 491 HG23 VAL 61 HG23 VAL 61 7.539 -9.344 0.755 492 H ARG 62 HN ARG 62 9.569 -8.372 0.698 493 HA ARG 62 HA ARG 62 11.000 -6.234 2.006 494 HB2 ARG 62 HB2 ARG 62 9.777 -6.484 -0.775 495 HB3 ARG 62 HB3 ARG 62 10.912 -5.219 -0.291 496 HG2 ARG 62 HG2 ARG 62 11.802 -8.059 0.080 497 HG3 ARG 62 HG3 ARG 62 11.603 -7.484 -1.559 498 HD2 ARG 62 HD2 ARG 62 13.897 -7.131 -0.878 499 HD3 ARG 62 HD3 ARG 62 13.116 -5.560 -1.017 500 HE ARG 62 HE ARG 62 13.212 -7.002 1.579 501 HH11 ARG 62 HH11 ARG 62 14.145 -4.053 -0.213 502 HH12 ARG 62 HH12 ARG 62 15.383 -3.598 0.937 503 HH21 ARG 62 HH21 ARG 62 14.584 -6.099 3.264 504 HH22 ARG 62 HH22 ARG 62 15.227 -4.507 3.100 505 H CYS 63 HN CYS 63 7.678 -6.575 1.138 506 HA CYS 63 HA CYS 63 5.871 -5.195 1.324 507 HB2 CYS 63 HB2 CYS 63 5.642 -4.550 3.755 508 HB3 CYS 63 HB3 CYS 63 5.688 -6.261 3.300 509 HG CYS 63 HG CYS 63 8.224 -4.390 4.195 510 H LEU 64 HN LEU 64 5.568 -3.426 0.274 511 HA LEU 64 HA LEU 64 7.267 -1.038 0.735 512 HB2 LEU 64 HB2 LEU 64 6.733 -1.793 -1.575 513 HB3 LEU 64 HB3 LEU 64 5.036 -1.537 -1.275 514 HG LEU 64 HG LEU 64 5.210 0.804 -1.250 515 HD11 LEU 64 HD11 LEU 64 8.258 0.611 -1.022 516 HD12 LEU 64 HD12 LEU 64 7.146 1.254 0.181 517 HD13 LEU 64 HD13 LEU 64 7.330 2.110 -1.333 518 HD21 LEU 64 HD21 LEU 64 6.344 1.246 -3.401 519 HD22 LEU 64 HD22 LEU 64 5.512 -0.321 -3.453 520 HD23 LEU 64 HD23 LEU 64 7.272 -0.258 -3.212 521 H ALA 65 HN ALA 65 6.648 0.466 2.189 522 HA ALA 65 HA ALA 65 3.895 0.619 3.248 523 HB1 ALA 65 HB1 ALA 65 5.729 0.773 4.879 524 HB2 ALA 65 HB2 ALA 65 6.509 2.058 3.914 525 HB3 ALA 65 HB3 ALA 65 4.953 2.362 4.692 526 H VAL 66 HN VAL 66 2.555 2.286 2.364 527 HA VAL 66 HA VAL 66 3.895 4.618 1.093 528 HB VAL 66 HB VAL 66 1.480 3.478 -0.210 529 HG11 VAL 66 HG11 VAL 66 3.192 6.022 -0.386 530 HG12 VAL 66 HG12 VAL 66 2.208 5.470 -1.725 531 HG13 VAL 66 HG13 VAL 66 1.436 5.903 -0.197 532 HG21 VAL 66 HG21 VAL 66 4.475 3.598 -0.826 533 HG22 VAL 66 HG22 VAL 66 3.403 2.175 -0.828 534 HG23 VAL 66 HG23 VAL 66 3.238 3.430 -2.068 535 H ASP 67 HN ASP 67 3.217 6.232 2.590 536 HA ASP 67 HA ASP 67 1.110 6.104 4.533 537 HB2 ASP 67 HB2 ASP 67 3.293 7.368 4.671 538 HB3 ASP 67 HB3 ASP 67 2.619 8.528 3.520 539 H LEU 68 HN LEU 68 -0.867 7.079 4.593 540 HA LEU 68 HA LEU 68 -2.214 7.301 2.081 541 HB2 LEU 68 HB2 LEU 68 -2.976 7.235 4.914 542 HB3 LEU 68 HB3 LEU 68 -4.019 8.199 3.921 543 HG LEU 68 HG LEU 68 -3.243 5.360 3.161 544 HD11 LEU 68 HD11 LEU 68 -5.628 6.365 4.763 545 HD12 LEU 68 HD12 LEU 68 -4.374 5.225 5.286 546 HD13 LEU 68 HD13 LEU 68 -5.533 4.752 4.031 547 HD21 LEU 68 HD21 LEU 68 -5.290 5.479 1.748 548 HD22 LEU 68 HD22 LEU 68 -4.123 6.715 1.270 549 HD23 LEU 68 HD23 LEU 68 -5.539 7.163 2.246 550 H LYS 69 HN LYS 69 -0.525 9.693 3.966 551 HA LYS 69 HA LYS 69 -1.969 12.006 3.068 552 HB2 LYS 69 HB2 LYS 69 0.000 11.722 4.817 553 HB3 LYS 69 HB3 LYS 69 1.045 11.980 3.433 554 HG2 LYS 69 HG2 LYS 69 -1.189 13.756 4.526 555 HG3 LYS 69 HG3 LYS 69 0.532 13.969 4.882 556 HD2 LYS 69 HD2 LYS 69 0.886 14.333 2.386 557 HD3 LYS 69 HD3 LYS 69 -0.874 14.421 2.238 558 HE2 LYS 69 HE2 LYS 69 0.645 16.211 4.111 559 HE3 LYS 69 HE3 LYS 69 0.281 16.558 2.397 560 HZ1 LYS 69 HZ1 LYS 69 -1.819 15.961 4.397 561 HZ2 LYS 69 HZ2 LYS 69 -2.039 16.414 2.839 562 HZ3 LYS 69 HZ3 LYS 69 -1.422 17.475 3.890 563 H LEU 70 HN LEU 70 0.402 9.891 1.491 564 HA LEU 70 HA LEU 70 1.108 11.631 -0.628 565 HB2 LEU 70 HB2 LEU 70 2.319 9.627 -0.353 566 HB3 LEU 70 HB3 LEU 70 0.901 8.640 -0.612 567 HG LEU 70 HG LEU 70 0.768 9.553 -3.000 568 HD11 LEU 70 HD11 LEU 70 3.549 10.656 -2.339 569 HD12 LEU 70 HD12 LEU 70 2.100 11.638 -2.660 570 HD13 LEU 70 HD13 LEU 70 2.758 10.645 -3.932 571 HD21 LEU 70 HD21 LEU 70 3.082 7.937 -1.930 572 HD22 LEU 70 HD22 LEU 70 2.868 8.213 -3.661 573 HD23 LEU 70 HD23 LEU 70 1.578 7.425 -2.756 574 H LYS 71 HN LYS 71 -1.878 9.710 -0.181 575 HA LYS 71 HA LYS 71 -2.878 10.117 -2.814 576 HB2 LYS 71 HB2 LYS 71 -3.547 8.310 -1.249 577 HB3 LYS 71 HB3 LYS 71 -4.281 9.504 -0.176 578 HG2 LYS 71 HG2 LYS 71 -6.218 9.161 -1.194 579 HG3 LYS 71 HG3 LYS 71 -5.562 9.943 -2.633 580 HD2 LYS 71 HD2 LYS 71 -4.737 7.757 -3.457 581 HD3 LYS 71 HD3 LYS 71 -5.348 6.987 -1.976 582 HE2 LYS 71 HE2 LYS 71 -6.908 6.568 -3.769 583 HE3 LYS 71 HE3 LYS 71 -7.659 7.647 -2.568 584 HZ1 LYS 71 HZ1 LYS 71 -7.213 9.483 -4.013 585 HZ2 LYS 71 HZ2 LYS 71 -8.064 8.371 -4.832 586 HZ3 LYS 71 HZ3 LYS 71 -6.465 8.492 -5.137 587 H ASP 72 HN ASP 72 -3.052 12.067 0.130 588 HA ASP 72 HA ASP 72 -5.064 13.944 -0.767 589 HB2 ASP 72 HB2 ASP 72 -4.434 13.790 1.558 590 HB3 ASP 72 HB3 ASP 72 -2.771 14.151 1.207 591 H THR 73 HN THR 73 -1.515 13.862 -0.949 592 HA THR 73 HA THR 73 -1.492 16.370 -2.431 593 HB THR 73 HB THR 73 0.111 15.839 -0.641 594 HG1 THR 73 HG1 THR 73 0.562 17.211 -2.679 595 HG21 THR 73 HG21 THR 73 2.101 14.500 -1.090 596 HG22 THR 73 HG22 THR 73 1.405 13.943 -2.623 597 HG23 THR 73 HG23 THR 73 0.618 13.547 -1.078 598 H ASN 74 HN ASN 74 -1.093 12.968 -3.442 599 HA ASN 74 HA ASN 74 -1.456 13.749 -6.238 600 HB2 ASN 74 HB2 ASN 74 0.953 13.798 -6.167 601 HB3 ASN 74 HB3 ASN 74 1.005 12.223 -5.358 602 HD21 ASN 74 HD21 ASN 74 2.314 11.317 -7.167 603 HD22 ASN 74 HD22 ASN 74 1.610 11.114 -8.736 604 HA PRO 75 HA PRO 75 -3.657 10.028 -4.668 605 HB2 PRO 75 HB2 PRO 75 -5.977 10.361 -6.147 606 HB3 PRO 75 HB3 PRO 75 -5.685 11.134 -4.566 607 HG2 PRO 75 HG2 PRO 75 -5.360 12.287 -7.322 608 HG3 PRO 75 HG3 PRO 75 -6.060 13.064 -5.861 609 HD2 PRO 75 HD2 PRO 75 -3.514 13.534 -6.693 610 HD3 PRO 75 HD3 PRO 75 -3.929 13.487 -4.957 611 H GLU 76 HN GLU 76 -3.233 11.018 -8.054 612 HA GLU 76 HA GLU 76 -4.038 8.619 -9.356 613 HB2 GLU 76 HB2 GLU 76 -3.638 10.861 -10.407 614 HB3 GLU 76 HB3 GLU 76 -1.933 10.748 -9.993 615 HG2 GLU 76 HG2 GLU 76 -1.748 8.710 -11.474 616 HG3 GLU 76 HG3 GLU 76 -3.424 8.983 -11.970 617 H GLY 77 HN GLY 77 -0.804 9.741 -8.339 618 HA2 GLY 77 HA2 GLY 77 0.698 7.516 -9.216 619 HA3 GLY 77 HA1 GLY 77 1.147 8.537 -7.884 620 H PHE 78 HN PHE 78 -0.920 8.106 -6.078 621 HA PHE 78 HA PHE 78 -0.296 5.643 -4.795 622 HB2 PHE 78 HB2 PHE 78 -1.103 7.655 -3.624 623 HB3 PHE 78 HB3 PHE 78 -2.676 7.468 -4.388 624 HD1 PHE 78 HD2 PHE 78 -4.152 5.481 -3.793 625 HD2 PHE 78 HD1 PHE 78 -0.359 6.171 -1.867 626 HE1 PHE 78 HE2 PHE 78 -4.810 3.982 -1.936 627 HE2 PHE 78 HE1 PHE 78 -1.012 4.648 -0.022 628 HZ PHE 78 HZ PHE 78 -3.243 3.572 -0.047 629 H ASN 79 HN ASN 79 -3.114 6.604 -6.634 630 HA ASN 79 HA ASN 79 -4.635 4.231 -6.489 631 HB2 ASN 79 HB2 ASN 79 -4.374 6.298 -8.681 632 HB3 ASN 79 HB3 ASN 79 -5.506 4.996 -8.782 633 HD21 ASN 79 HD21 ASN 79 -6.321 7.567 -8.953 634 HD22 ASN 79 HD22 ASN 79 -7.222 8.095 -7.542 635 H GLN 80 HN GLN 80 -2.153 5.095 -9.033 636 HA GLN 80 HA GLN 80 -2.223 2.593 -10.337 637 HB2 GLN 80 HB2 GLN 80 -0.054 4.699 -9.983 638 HB3 GLN 80 HB3 GLN 80 0.244 3.206 -10.854 639 HG2 GLN 80 HG2 GLN 80 -2.145 4.088 -12.014 640 HG3 GLN 80 HG3 GLN 80 -1.287 5.593 -11.673 641 HE21 GLN 80 HE21 GLN 80 0.155 6.195 -13.402 642 HE22 GLN 80 HE22 GLN 80 0.897 4.982 -14.458 643 H LEU 81 HN LEU 81 -0.718 3.358 -7.231 644 HA LEU 81 HA LEU 81 1.063 1.050 -7.195 645 HB2 LEU 81 HB2 LEU 81 0.764 3.374 -5.660 646 HB3 LEU 81 HB3 LEU 81 0.093 2.131 -4.608 647 HG LEU 81 HG LEU 81 2.585 1.223 -5.755 648 HD11 LEU 81 HD11 LEU 81 3.038 3.721 -4.139 649 HD12 LEU 81 HD12 LEU 81 3.111 3.669 -5.914 650 HD13 LEU 81 HD13 LEU 81 4.218 2.684 -4.946 651 HD21 LEU 81 HD21 LEU 81 1.978 1.890 -2.846 652 HD22 LEU 81 HD22 LEU 81 3.329 0.903 -3.466 653 HD23 LEU 81 HD23 LEU 81 1.654 0.355 -3.662 654 H MET 82 HN MET 82 -2.239 1.812 -6.185 655 HA MET 82 HA MET 82 -2.746 -0.602 -4.760 656 HB2 MET 82 HB2 MET 82 -4.761 1.134 -6.285 657 HB3 MET 82 HB3 MET 82 -5.138 -0.070 -5.090 658 HG2 MET 82 HG2 MET 82 -3.684 2.561 -4.679 659 HG3 MET 82 HG3 MET 82 -5.262 2.123 -4.064 660 HE1 MET 82 HE1 MET 82 -4.378 -0.423 -1.200 661 HE2 MET 82 HE2 MET 82 -5.689 0.425 -2.058 662 HE3 MET 82 HE3 MET 82 -4.766 -0.847 -2.885 663 H HIS 83 HN HIS 83 -3.268 0.352 -8.197 664 HA HIS 83 HA HIS 83 -4.403 -2.048 -9.071 665 HB2 HIS 83 HB2 HIS 83 -4.278 0.029 -10.350 666 HB3 HIS 83 HB3 HIS 83 -2.543 -0.161 -10.571 667 HD1 HIS 83 HD1 HIS 83 -2.270 -0.779 -13.110 668 HD2 HIS 83 HD2 HIS 83 -5.339 -2.854 -11.079 669 HE1 HIS 83 HE1 HIS 83 -3.186 -2.513 -14.745 670 H PHE 84 HN PHE 84 -0.952 -1.149 -8.963 671 HA PHE 84 HA PHE 84 0.267 -3.405 -10.010 672 HB2 PHE 84 HB2 PHE 84 1.371 -1.290 -9.217 673 HB3 PHE 84 HB3 PHE 84 1.156 -1.817 -7.574 674 HD1 PHE 84 HD1 PHE 84 2.308 -4.147 -6.886 675 HD2 PHE 84 HD2 PHE 84 3.389 -1.689 -10.266 676 HE1 PHE 84 HE1 PHE 84 4.545 -5.181 -6.927 677 HE2 PHE 84 HE2 PHE 84 5.643 -2.699 -10.274 678 HZ PHE 84 HZ PHE 84 6.224 -4.469 -8.616 679 H ALA 85 HN ALA 85 -0.940 -2.939 -6.704 680 HA ALA 85 HA ALA 85 -0.039 -5.349 -5.578 681 HB1 ALA 85 HB1 ALA 85 -2.569 -3.806 -4.842 682 HB2 ALA 85 HB2 ALA 85 -1.727 -4.982 -3.848 683 HB3 ALA 85 HB3 ALA 85 -0.926 -3.438 -4.262 684 H THR 86 HN THR 86 -3.469 -4.725 -6.611 685 HA THR 86 HA THR 86 -4.301 -7.378 -6.446 686 HB THR 86 HB THR 86 -5.300 -5.315 -8.440 687 HG1 THR 86 HG1 THR 86 -6.272 -5.518 -5.797 688 HG21 THR 86 HG21 THR 86 -6.791 -7.476 -6.884 689 HG22 THR 86 HG22 THR 86 -6.352 -7.563 -8.598 690 HG23 THR 86 HG23 THR 86 -7.492 -6.343 -8.062 691 H GLU 87 HN GLU 87 -2.641 -5.670 -9.169 692 HA GLU 87 HA GLU 87 -3.093 -7.587 -11.110 693 HB2 GLU 87 HB2 GLU 87 -1.032 -5.441 -10.602 694 HB3 GLU 87 HB3 GLU 87 -0.705 -6.597 -11.884 695 HG2 GLU 87 HG2 GLU 87 -3.342 -5.122 -11.697 696 HG3 GLU 87 HG3 GLU 87 -1.919 -4.444 -12.508 697 H ASN 88 HN ASN 88 -0.315 -7.579 -8.610 698 HA ASN 88 HA ASN 88 0.615 -10.024 -9.928 699 HB2 ASN 88 HB2 ASN 88 1.640 -8.077 -7.906 700 HB3 ASN 88 HB3 ASN 88 2.495 -9.539 -8.254 701 HD21 ASN 88 HD21 ASN 88 1.912 -6.250 -9.166 702 HD22 ASN 88 HD22 ASN 88 2.908 -6.287 -10.626 703 H GLN 89 HN GLN 89 -1.544 -8.972 -7.614 704 HA GLN 89 HA GLN 89 -3.120 -9.982 -6.443 705 HB2 GLN 89 HB2 GLN 89 -1.765 -12.670 -6.632 706 HB3 GLN 89 HB3 GLN 89 -3.418 -12.300 -6.141 707 HG2 GLN 89 HG2 GLN 89 -4.021 -12.812 -8.226 708 HG3 GLN 89 HG3 GLN 89 -3.413 -11.237 -8.688 709 HE21 GLN 89 HE21 GLN 89 -1.763 -11.235 -10.267 710 HE22 GLN 89 HE22 GLN 89 -0.766 -12.617 -10.660 711 H LEU 90 HN LEU 90 -0.557 -8.761 -5.526 712 HA LEU 90 HA LEU 90 0.491 -9.843 -3.265 713 HB2 LEU 90 HB2 LEU 90 -0.081 -7.029 -4.260 714 HB3 LEU 90 HB3 LEU 90 1.033 -7.398 -2.973 715 HG LEU 90 HG LEU 90 2.517 -8.083 -4.273 716 HD11 LEU 90 HD11 LEU 90 1.223 -9.550 -6.241 717 HD12 LEU 90 HD12 LEU 90 1.893 -10.173 -4.774 718 HD13 LEU 90 HD13 LEU 90 2.947 -9.429 -6.001 719 HD21 LEU 90 HD21 LEU 90 2.358 -5.953 -5.011 720 HD22 LEU 90 HD22 LEU 90 1.454 -6.528 -6.458 721 HD23 LEU 90 HD23 LEU 90 3.167 -7.022 -6.181 722 H ASN 91 HN ASN 91 -0.022 -9.921 -1.261 723 HA ASN 91 HA ASN 91 -2.640 -9.479 -0.177 724 HB2 ASN 91 HB2 ASN 91 -0.721 -11.036 0.582 725 HB3 ASN 91 HB3 ASN 91 0.014 -9.604 1.284 726 HD21 ASN 91 HD21 ASN 91 -0.328 -11.292 3.159 727 HD22 ASN 91 HD22 ASN 91 -1.872 -11.254 3.985 728 H ILE 92 HN ILE 92 -3.479 -7.414 0.226 729 HA ILE 92 HA ILE 92 -1.614 -5.106 0.590 730 HB ILE 92 HB ILE 92 -4.659 -5.120 0.553 731 HG12 ILE 92 HG12 ILE 92 -2.675 -4.265 -1.601 732 HG13 ILE 92 HG13 ILE 92 -3.720 -5.681 -1.669 733 HG21 ILE 92 HG21 ILE 92 -4.471 -2.680 0.528 734 HG22 ILE 92 HG22 ILE 92 -3.566 -3.277 1.903 735 HG23 ILE 92 HG23 ILE 92 -2.695 -2.774 0.451 736 HD11 ILE 92 HD11 ILE 92 -4.533 -2.779 -1.789 737 HD12 ILE 92 HD12 ILE 92 -4.746 -4.028 -3.019 738 HD13 ILE 92 HD13 ILE 92 -5.702 -4.078 -1.517 739 H LEU 93 HN LEU 93 -0.806 -4.959 2.591 740 HA LEU 93 HA LEU 93 -2.421 -5.813 4.927 741 HB2 LEU 93 HB2 LEU 93 0.516 -5.413 4.411 742 HB3 LEU 93 HB3 LEU 93 -0.096 -4.919 5.965 743 HG LEU 93 HG LEU 93 -0.841 -7.089 6.521 744 HD11 LEU 93 HD11 LEU 93 -0.176 -8.014 3.717 745 HD12 LEU 93 HD12 LEU 93 -1.771 -7.990 4.505 746 HD13 LEU 93 HD13 LEU 93 -0.532 -9.080 5.099 747 HD21 LEU 93 HD21 LEU 93 1.864 -7.380 5.155 748 HD22 LEU 93 HD22 LEU 93 1.265 -8.294 6.571 749 HD23 LEU 93 HD23 LEU 93 1.611 -6.559 6.709 750 H ASP 94 HN ASP 94 -2.618 -4.281 6.577 751 HA ASP 94 HA ASP 94 -2.901 -1.476 5.676 752 HB2 ASP 94 HB2 ASP 94 -4.289 -1.133 7.548 753 HB3 ASP 94 HB3 ASP 94 -4.807 -2.622 6.820 754 H ALA 95 HN ALA 95 -2.576 -0.081 7.822 755 HA ALA 95 HA ALA 95 0.250 0.250 8.119 756 HB1 ALA 95 HB1 ALA 95 -0.333 2.129 9.569 757 HB2 ALA 95 HB2 ALA 95 -1.427 2.112 8.185 758 HB3 ALA 95 HB3 ALA 95 -1.980 1.514 9.778 759 H GLU 96 HN GLU 96 -1.456 -2.179 9.589 760 HA GLU 96 HA GLU 96 0.426 -2.241 11.869 761 HB2 GLU 96 HB2 GLU 96 -2.494 -3.051 11.842 762 HB3 GLU 96 HB3 GLU 96 -1.332 -3.594 13.036 763 HG2 GLU 96 HG2 GLU 96 -0.855 -0.929 13.193 764 HG3 GLU 96 HG3 GLU 96 -2.541 -0.870 12.660 765 H GLY 97 HN GLY 97 -0.953 -3.849 9.107 766 HA2 GLY 97 HA2 GLY 97 0.269 -5.592 8.090 767 HA3 GLY 97 HA1 GLY 97 0.768 -6.227 9.641 768 H ASN 98 HN ASN 98 -2.583 -5.185 9.317 769 HA ASN 98 HA ASN 98 -3.534 -8.019 9.268 770 HB2 ASN 98 HB2 ASN 98 -5.227 -5.506 9.176 771 HB3 ASN 98 HB3 ASN 98 -5.737 -7.130 9.593 772 HD21 ASN 98 HD21 ASN 98 -4.648 -4.169 10.776 773 HD22 ASN 98 HD22 ASN 98 -4.535 -4.601 12.480 774 H SER 99 HN SER 99 -4.459 -8.914 7.303 775 HA SER 99 HA SER 99 -3.974 -7.442 4.873 776 HB2 SER 99 HB2 SER 99 -4.916 -9.318 3.708 777 HB3 SER 99 HB3 SER 99 -3.680 -9.809 4.864 778 HG SER 99 HG SER 99 -5.306 -10.609 6.205 779 H ILE 100 HN ILE 100 -5.383 -6.282 3.588 780 HA ILE 100 HA ILE 100 -8.292 -6.108 4.217 781 HB ILE 100 HB ILE 100 -8.081 -3.636 3.850 782 HG12 ILE 100 HG12 ILE 100 -5.126 -3.955 4.532 783 HG13 ILE 100 HG13 ILE 100 -5.714 -3.770 2.876 784 HG21 ILE 100 HG21 ILE 100 -6.699 -4.693 6.344 785 HG22 ILE 100 HG22 ILE 100 -7.582 -3.152 6.162 786 HG23 ILE 100 HG23 ILE 100 -8.464 -4.673 6.049 787 HD11 ILE 100 HD11 ILE 100 -6.115 -1.742 5.106 788 HD12 ILE 100 HD12 ILE 100 -5.022 -1.610 3.718 789 HD13 ILE 100 HD13 ILE 100 -6.780 -1.618 3.467 790 H ASP 101 HN ASP 101 -9.381 -4.794 2.536 791 HA ASP 101 HA ASP 101 -8.758 -5.697 -0.218 792 HB2 ASP 101 HB2 ASP 101 -11.092 -4.266 1.094 793 HB3 ASP 101 HB3 ASP 101 -11.010 -4.562 -0.637 794 H ALA 102 HN ALA 102 -8.818 -4.050 -1.926 795 HA ALA 102 HA ALA 102 -7.401 -1.627 -1.274 796 HB1 ALA 102 HB1 ALA 102 -7.479 -1.212 -3.693 797 HB2 ALA 102 HB2 ALA 102 -7.039 -2.894 -3.383 798 HB3 ALA 102 HB3 ALA 102 -8.688 -2.496 -3.907 799 H ALA 103 HN ALA 103 -10.853 -2.327 -1.737 800 HA ALA 103 HA ALA 103 -11.799 0.274 -2.395 801 HB1 ALA 103 HB1 ALA 103 -13.350 -1.594 -2.393 802 HB2 ALA 103 HB2 ALA 103 -13.078 -1.899 -0.658 803 HB3 ALA 103 HB3 ALA 103 -13.900 -0.418 -1.202 804 H GLN 104 HN GLN 104 -11.151 -1.265 0.698 805 HA GLN 104 HA GLN 104 -11.966 0.816 2.441 806 HB2 GLN 104 HB2 GLN 104 -10.124 -1.585 2.861 807 HB3 GLN 104 HB3 GLN 104 -10.920 -0.669 4.131 808 HG2 GLN 104 HG2 GLN 104 -12.995 -1.488 2.309 809 HG3 GLN 104 HG3 GLN 104 -11.926 -2.873 2.568 810 HE21 GLN 104 HE21 GLN 104 -11.446 -3.445 4.865 811 HE22 GLN 104 HE22 GLN 104 -12.787 -3.320 5.978 812 H VAL 105 HN VAL 105 -9.483 0.994 0.348 813 HA VAL 105 HA VAL 105 -7.819 2.733 2.095 814 HB VAL 105 HB VAL 105 -7.025 1.307 -0.465 815 HG11 VAL 105 HG11 VAL 105 -4.787 1.988 0.053 816 HG12 VAL 105 HG12 VAL 105 -5.799 3.428 0.074 817 HG13 VAL 105 HG13 VAL 105 -5.301 2.704 1.605 818 HG21 VAL 105 HG21 VAL 105 -7.334 -0.404 1.282 819 HG22 VAL 105 HG22 VAL 105 -5.630 -0.185 0.922 820 HG23 VAL 105 HG23 VAL 105 -6.315 0.536 2.390 821 H THR 106 HN THR 106 -9.101 2.364 -1.289 822 HA THR 106 HA THR 106 -8.294 5.114 -1.787 823 HB THR 106 HB THR 106 -9.408 4.734 -4.036 824 HG1 THR 106 HG1 THR 106 -10.822 3.128 -3.422 825 HG21 THR 106 HG21 THR 106 -6.972 4.393 -3.664 826 HG22 THR 106 HG22 THR 106 -7.621 3.301 -4.869 827 HG23 THR 106 HG23 THR 106 -7.291 2.704 -3.228 828 H GLU 107 HN GLU 107 -11.011 3.921 -0.236 829 HA GLU 107 HA GLU 107 -12.834 6.047 -1.124 830 HB2 GLU 107 HB2 GLU 107 -14.470 5.026 0.250 831 HB3 GLU 107 HB3 GLU 107 -13.614 3.701 -0.548 832 HG2 GLU 107 HG2 GLU 107 -12.345 3.246 1.541 833 HG3 GLU 107 HG3 GLU 107 -13.041 4.668 2.298 834 H ILE 108 HN ILE 108 -10.246 6.129 0.756 835 HA ILE 108 HA ILE 108 -11.346 7.230 3.203 836 HB ILE 108 HB ILE 108 -8.508 6.615 2.419 837 HG12 ILE 108 HG12 ILE 108 -9.951 4.597 2.439 838 HG13 ILE 108 HG13 ILE 108 -8.824 4.638 3.768 839 HG21 ILE 108 HG21 ILE 108 -8.047 6.648 4.840 840 HG22 ILE 108 HG22 ILE 108 -8.571 8.236 4.264 841 HG23 ILE 108 HG23 ILE 108 -9.708 7.210 5.157 842 HD11 ILE 108 HD11 ILE 108 -11.024 3.717 4.375 843 HD12 ILE 108 HD12 ILE 108 -10.590 5.111 5.362 844 HD13 ILE 108 HD13 ILE 108 -11.773 5.281 4.058 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -19.144 5.184 -3.856 2 HA2 GLY 1 HA2 GLY 1 -16.991 4.339 -1.998 3 HA3 GLY 1 HA1 GLY 1 -18.087 5.711 -1.740 4 H MET 2 HN MET 2 -17.590 2.366 -1.188 5 HA MET 2 HA MET 2 -19.929 2.168 0.500 6 HB2 MET 2 HB2 MET 2 -19.536 0.272 -1.880 7 HB3 MET 2 HB3 MET 2 -20.489 -0.122 -0.452 8 HG2 MET 2 HG2 MET 2 -21.980 1.805 -0.902 9 HG3 MET 2 HG3 MET 2 -21.085 2.127 -2.399 10 HE1 MET 2 HE1 MET 2 -24.658 0.697 -3.440 11 HE2 MET 2 HE2 MET 2 -24.348 1.511 -1.892 12 HE3 MET 2 HE3 MET 2 -23.640 2.154 -3.393 13 H GLY 3 HN GLY 3 -19.108 1.139 2.298 14 HA2 GLY 3 HA2 GLY 3 -17.835 -0.785 3.194 15 HA3 GLY 3 HA1 GLY 3 -16.545 -0.416 2.042 16 H THR 4 HN THR 4 -18.566 1.342 4.452 17 HA THR 4 HA THR 4 -16.176 2.842 5.350 18 HB THR 4 HB THR 4 -17.856 4.671 5.761 19 HG1 THR 4 HG1 THR 4 -19.799 4.544 4.997 20 HG21 THR 4 HG21 THR 4 -17.525 3.757 2.865 21 HG22 THR 4 HG22 THR 4 -16.352 4.705 3.806 22 HG23 THR 4 HG23 THR 4 -17.935 5.390 3.409 23 H THR 5 HN THR 5 -17.032 0.267 6.430 24 HA THR 5 HA THR 5 -17.483 1.126 9.221 25 HB THR 5 HB THR 5 -18.582 -1.383 8.026 26 HG1 THR 5 HG1 THR 5 -20.554 -0.279 7.853 27 HG21 THR 5 HG21 THR 5 -20.196 -1.271 9.910 28 HG22 THR 5 HG22 THR 5 -19.409 0.202 10.504 29 HG23 THR 5 HG23 THR 5 -18.541 -1.350 10.510 30 H GLU 6 HN GLU 6 -15.111 0.314 7.355 31 HA GLU 6 HA GLU 6 -13.721 -1.289 9.409 32 HB2 GLU 6 HB2 GLU 6 -13.882 -1.929 6.477 33 HB3 GLU 6 HB3 GLU 6 -12.317 -2.101 7.252 34 HG2 GLU 6 HG2 GLU 6 -14.834 -3.403 8.364 35 HG3 GLU 6 HG3 GLU 6 -13.762 -4.185 7.206 36 H LYS 7 HN LYS 7 -13.036 0.665 10.260 37 HA LYS 7 HA LYS 7 -10.542 1.512 8.999 38 HB2 LYS 7 HB2 LYS 7 -10.852 3.899 9.475 39 HB3 LYS 7 HB3 LYS 7 -12.051 3.309 8.337 40 HG2 LYS 7 HG2 LYS 7 -13.373 4.621 9.691 41 HG3 LYS 7 HG3 LYS 7 -13.588 3.037 10.390 42 HD2 LYS 7 HD2 LYS 7 -11.611 3.947 12.030 43 HD3 LYS 7 HD3 LYS 7 -12.308 5.477 11.523 44 HE2 LYS 7 HE2 LYS 7 -13.355 4.644 13.598 45 HE3 LYS 7 HE3 LYS 7 -14.531 4.753 12.286 46 HZ1 LYS 7 HZ1 LYS 7 -14.662 2.631 13.596 47 HZ2 LYS 7 HZ2 LYS 7 -13.185 2.204 12.979 48 HZ3 LYS 7 HZ3 LYS 7 -14.447 2.396 12.003 49 H SER 8 HN SER 8 -9.006 2.122 10.574 50 HA SER 8 HA SER 8 -9.929 2.154 13.394 51 HB2 SER 8 HB2 SER 8 -8.724 -0.046 12.590 52 HB3 SER 8 HB3 SER 8 -7.257 0.949 12.734 53 HG SER 8 HG SER 8 -7.460 0.173 14.690 54 H GLY 9 HN GLY 9 -9.321 4.277 11.300 55 HA2 GLY 9 HA2 GLY 9 -8.188 6.295 11.192 56 HA3 GLY 9 HA1 GLY 9 -7.774 6.095 12.917 57 H ILE 10 HN ILE 10 -7.099 3.989 10.121 58 HA ILE 10 HA ILE 10 -4.262 3.782 10.831 59 HB ILE 10 HB ILE 10 -5.510 2.547 8.375 60 HG12 ILE 10 HG12 ILE 10 -5.536 1.123 10.995 61 HG13 ILE 10 HG13 ILE 10 -6.995 1.990 10.500 62 HG21 ILE 10 HG21 ILE 10 -3.380 1.757 10.414 63 HG22 ILE 10 HG22 ILE 10 -3.820 0.784 9.010 64 HG23 ILE 10 HG23 ILE 10 -3.066 2.353 8.778 65 HD11 ILE 10 HD11 ILE 10 -5.771 -0.262 8.906 66 HD12 ILE 10 HD12 ILE 10 -7.196 -0.362 9.956 67 HD13 ILE 10 HD13 ILE 10 -7.231 0.642 8.499 68 H LYS 11 HN LYS 11 -2.655 4.358 9.360 69 HA LYS 11 HA LYS 11 -3.384 6.175 7.191 70 HB2 LYS 11 HB2 LYS 11 -2.162 7.999 8.008 71 HB3 LYS 11 HB3 LYS 11 -3.168 7.481 9.336 72 HG2 LYS 11 HG2 LYS 11 -0.241 6.639 9.108 73 HG3 LYS 11 HG3 LYS 11 -0.734 8.141 9.847 74 HD2 LYS 11 HD2 LYS 11 -1.988 5.601 10.881 75 HD3 LYS 11 HD3 LYS 11 -0.312 5.983 11.272 76 HE2 LYS 11 HE2 LYS 11 -1.032 8.250 12.024 77 HE3 LYS 11 HE3 LYS 11 -2.716 7.802 11.690 78 HZ1 LYS 11 HZ1 LYS 11 -0.941 6.507 13.687 79 HZ2 LYS 11 HZ2 LYS 11 -2.525 6.091 13.396 80 HZ3 LYS 11 HZ3 LYS 11 -2.151 7.554 13.985 81 H GLU 12 HN GLU 12 -2.062 3.431 7.487 82 HA GLU 12 HA GLU 12 -0.165 3.975 5.410 83 HB2 GLU 12 HB2 GLU 12 1.312 4.651 7.270 84 HB3 GLU 12 HB3 GLU 12 1.123 3.061 8.007 85 HG2 GLU 12 HG2 GLU 12 2.269 2.015 6.118 86 HG3 GLU 12 HG3 GLU 12 2.304 3.545 5.249 87 H ILE 13 HN ILE 13 -0.736 2.386 4.096 88 HA ILE 13 HA ILE 13 -1.689 -0.217 5.121 89 HB ILE 13 HB ILE 13 -2.143 -0.650 2.685 90 HG12 ILE 13 HG12 ILE 13 -1.821 2.303 2.099 91 HG13 ILE 13 HG13 ILE 13 -0.382 1.301 2.097 92 HG21 ILE 13 HG21 ILE 13 -4.114 0.763 2.499 93 HG22 ILE 13 HG22 ILE 13 -3.934 0.185 4.152 94 HG23 ILE 13 HG23 ILE 13 -3.498 1.858 3.755 95 HD11 ILE 13 HD11 ILE 13 -1.394 -0.248 0.471 96 HD12 ILE 13 HD12 ILE 13 -2.836 0.805 0.419 97 HD13 ILE 13 HD13 ILE 13 -1.265 1.410 -0.152 98 H ILE 14 HN ILE 14 -0.786 -2.240 3.722 99 HA ILE 14 HA ILE 14 2.088 -1.891 3.200 100 HB ILE 14 HB ILE 14 1.082 -3.974 5.170 101 HG12 ILE 14 HG12 ILE 14 2.595 -1.371 5.728 102 HG13 ILE 14 HG13 ILE 14 0.936 -1.729 6.212 103 HG21 ILE 14 HG21 ILE 14 3.891 -3.096 4.311 104 HG22 ILE 14 HG22 ILE 14 3.511 -4.389 5.470 105 HG23 ILE 14 HG23 ILE 14 3.069 -4.590 3.792 106 HD11 ILE 14 HD11 ILE 14 1.728 -3.568 7.647 107 HD12 ILE 14 HD12 ILE 14 3.410 -3.093 7.264 108 HD13 ILE 14 HD13 ILE 14 2.340 -1.976 8.115 109 H ILE 15 HN ILE 15 1.814 -2.336 1.020 110 HA ILE 15 HA ILE 15 0.515 -4.695 0.013 111 HB ILE 15 HB ILE 15 2.965 -3.326 -1.152 112 HG12 ILE 15 HG12 ILE 15 1.563 -1.488 -0.993 113 HG13 ILE 15 HG13 ILE 15 1.442 -2.039 -2.636 114 HG21 ILE 15 HG21 ILE 15 2.424 -5.488 -2.158 115 HG22 ILE 15 HG22 ILE 15 0.750 -5.004 -2.395 116 HG23 ILE 15 HG23 ILE 15 2.060 -4.207 -3.307 117 HD11 ILE 15 HD11 ILE 15 -0.743 -1.379 -1.861 118 HD12 ILE 15 HD12 ILE 15 -0.751 -3.143 -2.082 119 HD13 ILE 15 HD13 ILE 15 -0.620 -2.446 -0.449 120 H GLN 16 HN GLN 16 1.075 -6.841 0.710 121 HA GLN 16 HA GLN 16 3.575 -7.370 1.883 122 HB2 GLN 16 HB2 GLN 16 1.159 -8.432 2.070 123 HB3 GLN 16 HB3 GLN 16 1.590 -9.284 0.591 124 HG2 GLN 16 HG2 GLN 16 1.840 -10.663 2.407 125 HG3 GLN 16 HG3 GLN 16 3.489 -10.334 1.843 126 HE21 GLN 16 HE21 GLN 16 2.336 -11.278 4.536 127 HE22 GLN 16 HE22 GLN 16 3.110 -10.181 5.658 128 H GLY 17 HN GLY 17 5.137 -8.951 1.020 129 HA2 GLY 17 HA2 GLY 17 5.521 -8.809 -1.940 130 HA3 GLY 17 HA1 GLY 17 6.727 -9.321 -0.750 131 H LEU 18 HN LEU 18 3.768 -10.689 0.070 132 HA LEU 18 HA LEU 18 4.402 -13.279 -1.210 133 HB2 LEU 18 HB2 LEU 18 3.256 -12.475 1.440 134 HB3 LEU 18 HB3 LEU 18 2.274 -13.637 0.575 135 HG LEU 18 HG LEU 18 4.140 -15.192 0.410 136 HD11 LEU 18 HD11 LEU 18 6.065 -13.564 0.324 137 HD12 LEU 18 HD12 LEU 18 6.275 -14.855 1.513 138 HD13 LEU 18 HD13 LEU 18 5.793 -13.237 2.044 139 HD21 LEU 18 HD21 LEU 18 4.318 -15.706 2.827 140 HD22 LEU 18 HD22 LEU 18 2.681 -15.153 2.434 141 HD23 LEU 18 HD23 LEU 18 3.791 -14.038 3.220 142 H THR 19 HN THR 19 2.811 -14.194 -2.459 143 HA THR 19 HA THR 19 0.849 -12.359 -3.549 144 HB THR 19 HB THR 19 0.270 -14.169 -5.053 145 HG1 THR 19 HG1 THR 19 0.930 -16.157 -4.864 146 HG21 THR 19 HG21 THR 19 2.362 -14.516 -6.224 147 HG22 THR 19 HG22 THR 19 3.311 -14.152 -4.780 148 HG23 THR 19 HG23 THR 19 2.347 -12.871 -5.574 149 H ARG 20 HN ARG 20 -1.453 -13.196 -3.674 150 HA ARG 20 HA ARG 20 -2.829 -13.815 -1.321 151 HB2 ARG 20 HB2 ARG 20 -4.627 -14.571 -2.794 152 HB3 ARG 20 HB3 ARG 20 -3.846 -13.115 -3.421 153 HG2 ARG 20 HG2 ARG 20 -2.396 -14.883 -4.812 154 HG3 ARG 20 HG3 ARG 20 -3.723 -15.978 -4.459 155 HD2 ARG 20 HD2 ARG 20 -4.382 -13.236 -5.521 156 HD3 ARG 20 HD3 ARG 20 -3.551 -14.347 -6.593 157 HE ARG 20 HE ARG 20 -6.295 -14.485 -5.748 158 HH11 ARG 20 HH11 ARG 20 -3.571 -16.434 -6.952 159 HH12 ARG 20 HH12 ARG 20 -4.561 -17.387 -8.021 160 HH21 ARG 20 HH21 ARG 20 -7.572 -15.724 -7.377 161 HH22 ARG 20 HH22 ARG 20 -6.761 -16.864 -8.337 162 H ALA 21 HN ALA 21 -0.902 -16.042 -3.233 163 HA ALA 21 HA ALA 21 -2.084 -18.459 -2.055 164 HB1 ALA 21 HB1 ALA 21 -1.169 -18.416 -4.387 165 HB2 ALA 21 HB2 ALA 21 0.454 -18.120 -3.716 166 HB3 ALA 21 HB3 ALA 21 -0.389 -19.630 -3.352 167 H GLY 22 HN GLY 22 0.031 -16.086 -0.819 168 HA2 GLY 22 HA2 GLY 22 1.382 -16.068 0.982 169 HA3 GLY 22 HA1 GLY 22 1.013 -17.765 1.301 170 H LYS 23 HN LYS 23 2.317 -16.894 -1.896 171 HA LYS 23 HA LYS 23 4.953 -18.042 -1.090 172 HB2 LYS 23 HB2 LYS 23 3.328 -18.183 -3.655 173 HB3 LYS 23 HB3 LYS 23 5.075 -18.296 -3.686 174 HG2 LYS 23 HG2 LYS 23 4.443 -20.538 -3.578 175 HG3 LYS 23 HG3 LYS 23 4.887 -20.139 -1.919 176 HD2 LYS 23 HD2 LYS 23 2.549 -19.969 -1.267 177 HD3 LYS 23 HD3 LYS 23 2.016 -20.240 -2.929 178 HE2 LYS 23 HE2 LYS 23 3.618 -22.213 -1.233 179 HE3 LYS 23 HE3 LYS 23 1.865 -22.233 -1.394 180 HZ1 LYS 23 HZ1 LYS 23 3.765 -22.675 -3.627 181 HZ2 LYS 23 HZ2 LYS 23 2.124 -22.642 -3.756 182 HZ3 LYS 23 HZ3 LYS 23 2.856 -23.807 -2.857 183 HA PRO 24 HA PRO 24 6.399 -13.991 -1.843 184 HB2 PRO 24 HB2 PRO 24 9.059 -14.317 -2.367 185 HB3 PRO 24 HB3 PRO 24 8.330 -14.563 -0.748 186 HG2 PRO 24 HG2 PRO 24 9.022 -16.649 -2.831 187 HG3 PRO 24 HG3 PRO 24 9.338 -16.676 -1.072 188 HD2 PRO 24 HD2 PRO 24 7.191 -17.965 -2.220 189 HD3 PRO 24 HD3 PRO 24 7.076 -17.229 -0.595 190 H PHE 25 HN PHE 25 6.451 -12.553 -3.455 191 HA PHE 25 HA PHE 25 6.244 -13.379 -6.247 192 HB2 PHE 25 HB2 PHE 25 4.813 -11.652 -5.306 193 HB3 PHE 25 HB3 PHE 25 6.210 -10.741 -4.739 194 HD1 PHE 25 HD2 PHE 25 4.752 -12.103 -7.967 195 HD2 PHE 25 HD1 PHE 25 6.961 -8.935 -6.013 196 HE1 PHE 25 HE2 PHE 25 4.846 -10.833 -10.087 197 HE2 PHE 25 HE1 PHE 25 7.003 -7.669 -8.139 198 HZ PHE 25 HZ PHE 25 5.953 -8.611 -10.162 199 H ARG 26 HN ARG 26 7.783 -12.272 -7.861 200 HA ARG 26 HA ARG 26 10.316 -11.488 -6.728 201 HB2 ARG 26 HB2 ARG 26 10.079 -13.905 -8.461 202 HB3 ARG 26 HB3 ARG 26 11.243 -12.750 -8.993 203 HG2 ARG 26 HG2 ARG 26 12.473 -14.214 -7.672 204 HG3 ARG 26 HG3 ARG 26 12.297 -12.764 -6.713 205 HD2 ARG 26 HD2 ARG 26 11.724 -14.111 -5.024 206 HD3 ARG 26 HD3 ARG 26 10.156 -14.239 -5.795 207 HE ARG 26 HE ARG 26 10.524 -16.421 -6.180 208 HH11 ARG 26 HH11 ARG 26 13.674 -15.158 -5.220 209 HH12 ARG 26 HH12 ARG 26 14.583 -16.471 -5.920 210 HH21 ARG 26 HH21 ARG 26 11.693 -18.343 -6.686 211 HH22 ARG 26 HH22 ARG 26 13.408 -18.400 -6.467 212 HA PRO 27 HA PRO 27 12.324 -10.977 -8.229 213 HB2 PRO 27 HB2 PRO 27 13.530 -8.507 -8.247 214 HB3 PRO 27 HB3 PRO 27 13.215 -9.403 -9.773 215 HG2 PRO 27 HG2 PRO 27 11.457 -7.260 -8.488 216 HG3 PRO 27 HG3 PRO 27 12.086 -7.296 -10.155 217 HD2 PRO 27 HD2 PRO 27 9.617 -8.262 -9.620 218 HD3 PRO 27 HD3 PRO 27 10.713 -9.141 -10.739 219 H SER 28 HN SER 28 13.404 -10.632 -6.141 220 HA SER 28 HA SER 28 11.704 -9.650 -4.015 221 HB2 SER 28 HB2 SER 28 14.659 -10.378 -4.117 222 HB3 SER 28 HB3 SER 28 13.711 -10.077 -2.650 223 HG SER 28 HG SER 28 12.286 -11.757 -3.357 224 H ASP 29 HN ASP 29 13.848 -8.157 -6.244 225 HA ASP 29 HA ASP 29 14.485 -5.765 -4.802 226 HB2 ASP 29 HB2 ASP 29 14.345 -6.216 -7.796 227 HB3 ASP 29 HB3 ASP 29 15.197 -4.910 -6.959 228 H TRP 30 HN TRP 30 11.443 -6.845 -6.074 229 HA TRP 30 HA TRP 30 10.502 -4.735 -7.513 230 HB2 TRP 30 HB2 TRP 30 8.317 -5.487 -7.140 231 HB3 TRP 30 HB3 TRP 30 9.306 -6.914 -7.094 232 HD1 TRP 30 HD1 TRP 30 9.333 -8.282 -4.685 233 HE1 TRP 30 HE1 TRP 30 8.064 -8.012 -2.528 234 HE3 TRP 30 HE3 TRP 30 6.800 -3.945 -5.743 235 HZ2 TRP 30 HZ2 TRP 30 5.756 -6.404 -1.535 236 HZ3 TRP 30 HZ3 TRP 30 5.074 -3.104 -4.171 237 HH2 TRP 30 HH2 TRP 30 4.616 -4.333 -2.059 238 H VAL 31 HN VAL 31 10.359 -5.018 -4.031 239 HA VAL 31 HA VAL 31 9.075 -2.765 -3.122 240 HB VAL 31 HB VAL 31 11.589 -4.116 -2.019 241 HG11 VAL 31 HG11 VAL 31 10.635 -3.587 0.220 242 HG12 VAL 31 HG12 VAL 31 11.089 -2.162 -0.713 243 HG13 VAL 31 HG13 VAL 31 9.373 -2.627 -0.575 244 HG21 VAL 31 HG21 VAL 31 8.694 -4.916 -1.787 245 HG22 VAL 31 HG22 VAL 31 10.041 -5.879 -2.473 246 HG23 VAL 31 HG23 VAL 31 9.994 -5.538 -0.750 247 H ASP 32 HN ASP 32 12.471 -3.054 -4.149 248 HA ASP 32 HA ASP 32 13.204 -0.415 -3.076 249 HB2 ASP 32 HB2 ASP 32 14.547 -2.689 -3.075 250 HB3 ASP 32 HB3 ASP 32 14.898 -2.314 -4.766 251 H ARG 33 HN ARG 33 12.445 -2.017 -6.055 252 HA ARG 33 HA ARG 33 13.110 0.221 -7.815 253 HB2 ARG 33 HB2 ARG 33 11.386 -2.258 -8.177 254 HB3 ARG 33 HB3 ARG 33 11.488 -0.990 -9.392 255 HG2 ARG 33 HG2 ARG 33 14.198 -1.634 -8.633 256 HG3 ARG 33 HG3 ARG 33 13.342 -3.159 -8.815 257 HD2 ARG 33 HD2 ARG 33 14.336 -2.525 -10.943 258 HD3 ARG 33 HD3 ARG 33 12.567 -2.462 -11.061 259 HE ARG 33 HE ARG 33 13.970 0.056 -10.401 260 HH11 ARG 33 HH11 ARG 33 12.681 -1.922 -13.061 261 HH12 ARG 33 HH12 ARG 33 12.721 -0.603 -14.186 262 HH21 ARG 33 HH21 ARG 33 13.638 1.831 -11.800 263 HH22 ARG 33 HH22 ARG 33 13.019 1.595 -13.397 264 H MET 34 HN MET 34 10.055 -0.891 -6.155 265 HA MET 34 HA MET 34 8.383 1.137 -7.100 266 HB2 MET 34 HB2 MET 34 8.440 -0.170 -4.358 267 HB3 MET 34 HB3 MET 34 7.155 0.865 -4.924 268 HG2 MET 34 HG2 MET 34 7.927 -1.838 -6.038 269 HG3 MET 34 HG3 MET 34 6.537 -1.464 -5.092 270 HE1 MET 34 HE1 MET 34 4.288 -1.683 -6.288 271 HE2 MET 34 HE2 MET 34 4.556 0.035 -5.943 272 HE3 MET 34 HE3 MET 34 3.887 -0.464 -7.512 273 H CYS 35 HN CYS 35 10.403 1.237 -4.046 274 HA CYS 35 HA CYS 35 9.654 3.912 -3.516 275 HB2 CYS 35 HB2 CYS 35 11.360 3.982 -1.854 276 HB3 CYS 35 HB3 CYS 35 10.673 2.364 -1.849 277 HG CYS 35 HG CYS 35 13.584 3.477 -2.867 278 H SER 36 HN SER 36 12.379 2.703 -5.480 279 HA SER 36 HA SER 36 13.607 5.240 -6.000 280 HB2 SER 36 HB2 SER 36 13.490 2.782 -7.703 281 HB3 SER 36 HB3 SER 36 14.656 4.104 -7.874 282 HG SER 36 HG SER 36 14.421 2.164 -5.808 283 H THR 37 HN THR 37 10.746 3.705 -7.423 284 HA THR 37 HA THR 37 10.692 5.428 -9.774 285 HB THR 37 HB THR 37 8.671 3.451 -8.622 286 HG1 THR 37 HG1 THR 37 10.657 2.496 -9.082 287 HG21 THR 37 HG21 THR 37 7.957 3.252 -11.047 288 HG22 THR 37 HG22 THR 37 8.919 4.713 -11.376 289 HG23 THR 37 HG23 THR 37 7.533 4.767 -10.258 290 H TYR 38 HN TYR 38 10.063 5.933 -6.535 291 HA TYR 38 HA TYR 38 7.949 7.976 -6.991 292 HB2 TYR 38 HB2 TYR 38 8.296 5.767 -4.984 293 HB3 TYR 38 HB3 TYR 38 7.560 7.259 -4.433 294 HD1 TYR 38 HD2 TYR 38 7.204 4.601 -7.049 295 HD2 TYR 38 HD1 TYR 38 5.400 7.897 -4.942 296 HE1 TYR 38 HE2 TYR 38 5.062 4.175 -8.251 297 HE2 TYR 38 HE1 TYR 38 3.241 7.438 -6.096 298 HH TYR 38 HH TYR 38 2.726 4.657 -8.152 299 H ALA 39 HN ALA 39 10.913 8.291 -7.153 300 HA ALA 39 HA ALA 39 11.417 10.058 -4.829 301 HB1 ALA 39 HB1 ALA 39 12.240 7.783 -4.347 302 HB2 ALA 39 HB2 ALA 39 13.182 7.788 -5.853 303 HB3 ALA 39 HB3 ALA 39 13.582 8.922 -4.537 304 H SER 40 HN SER 40 13.562 11.226 -5.180 305 HA SER 40 HA SER 40 14.632 11.268 -7.864 306 HB2 SER 40 HB2 SER 40 14.264 13.727 -8.253 307 HB3 SER 40 HB3 SER 40 12.901 12.658 -8.572 308 HG SER 40 HG SER 40 12.619 14.731 -7.396 309 H PHE 41 HN PHE 41 16.283 12.990 -8.077 310 HA PHE 41 HA PHE 41 18.084 12.738 -5.816 311 HB2 PHE 41 HB2 PHE 41 18.158 13.869 -8.600 312 HB3 PHE 41 HB3 PHE 41 19.401 14.311 -7.441 313 HD1 PHE 41 HD2 PHE 41 17.757 10.928 -8.222 314 HD2 PHE 41 HD1 PHE 41 21.391 13.258 -8.107 315 HE1 PHE 41 HE2 PHE 41 19.095 8.925 -8.744 316 HE2 PHE 41 HE1 PHE 41 22.710 11.220 -8.508 317 HZ PHE 41 HZ PHE 41 21.566 9.041 -8.845 318 H GLY 42 HN GLY 42 18.456 14.237 -4.327 319 HA2 GLY 42 HA2 GLY 42 16.770 16.510 -3.903 320 HA3 GLY 42 HA1 GLY 42 18.243 16.086 -3.011 321 H ALA 43 HN ALA 43 17.897 18.676 -3.234 322 HA ALA 43 HA ALA 43 18.883 20.028 -5.473 323 HB1 ALA 43 HB1 ALA 43 19.612 21.776 -3.810 324 HB2 ALA 43 HB2 ALA 43 17.946 21.242 -3.576 325 HB3 ALA 43 HB3 ALA 43 19.230 20.647 -2.509 326 H ASP 44 HN ASP 44 20.643 18.311 -2.940 327 HA ASP 44 HA ASP 44 23.269 18.970 -3.988 328 HB2 ASP 44 HB2 ASP 44 22.547 18.543 -1.550 329 HB3 ASP 44 HB3 ASP 44 22.599 16.818 -1.956 330 H ARG 45 HN ARG 45 21.245 17.372 -5.631 331 HA ARG 45 HA ARG 45 21.010 15.569 -6.931 332 HB2 ARG 45 HB2 ARG 45 23.887 16.297 -7.438 333 HB3 ARG 45 HB3 ARG 45 23.108 15.023 -8.343 334 HG2 ARG 45 HG2 ARG 45 22.069 17.817 -8.208 335 HG3 ARG 45 HG3 ARG 45 23.116 17.187 -9.499 336 HD2 ARG 45 HD2 ARG 45 21.155 15.315 -9.453 337 HD3 ARG 45 HD3 ARG 45 20.215 16.715 -8.926 338 HE ARG 45 HE ARG 45 20.810 16.052 -11.538 339 HH11 ARG 45 HH11 ARG 45 21.566 19.068 -9.707 340 HH12 ARG 45 HH12 ARG 45 21.428 20.034 -11.110 341 HH21 ARG 45 HH21 ARG 45 20.628 17.365 -13.290 342 HH22 ARG 45 HH22 ARG 45 20.943 19.078 -13.203 343 H LYS 46 HN LYS 46 20.673 14.381 -4.735 344 HA LYS 46 HA LYS 46 21.936 11.786 -5.269 345 HB2 LYS 46 HB2 LYS 46 23.334 13.059 -3.520 346 HB3 LYS 46 HB3 LYS 46 21.936 13.043 -2.454 347 HG2 LYS 46 HG2 LYS 46 22.746 10.393 -3.551 348 HG3 LYS 46 HG3 LYS 46 23.976 11.180 -2.588 349 HD2 LYS 46 HD2 LYS 46 22.430 11.389 -0.687 350 HD3 LYS 46 HD3 LYS 46 21.133 10.629 -1.643 351 HE2 LYS 46 HE2 LYS 46 22.483 8.587 -1.910 352 HE3 LYS 46 HE3 LYS 46 23.854 9.359 -1.094 353 HZ1 LYS 46 HZ1 LYS 46 22.677 9.362 0.925 354 HZ2 LYS 46 HZ2 LYS 46 22.640 7.876 0.326 355 HZ3 LYS 46 HZ3 LYS 46 21.263 8.798 0.238 356 H LEU 47 HN LEU 47 20.728 10.076 -4.880 357 HA LEU 47 HA LEU 47 18.034 10.661 -5.278 358 HB2 LEU 47 HB2 LEU 47 19.586 8.412 -5.609 359 HB3 LEU 47 HB3 LEU 47 18.653 7.938 -4.210 360 HG LEU 47 HG LEU 47 17.740 8.589 -7.025 361 HD11 LEU 47 HD11 LEU 47 18.387 6.275 -6.551 362 HD12 LEU 47 HD12 LEU 47 16.653 6.396 -6.875 363 HD13 LEU 47 HD13 LEU 47 17.234 6.209 -5.198 364 HD21 LEU 47 HD21 LEU 47 15.953 8.405 -4.597 365 HD22 LEU 47 HD22 LEU 47 15.413 8.366 -6.312 366 HD23 LEU 47 HD23 LEU 47 16.208 9.799 -5.683 367 H ARG 48 HN ARG 48 16.297 10.903 -3.876 368 HA ARG 48 HA ARG 48 16.600 9.993 -1.087 369 HB2 ARG 48 HB2 ARG 48 16.622 12.731 -1.887 370 HB3 ARG 48 HB3 ARG 48 14.990 12.462 -1.318 371 HG2 ARG 48 HG2 ARG 48 17.571 12.070 0.206 372 HG3 ARG 48 HG3 ARG 48 16.356 13.306 0.470 373 HD2 ARG 48 HD2 ARG 48 14.977 10.832 0.745 374 HD3 ARG 48 HD3 ARG 48 16.503 10.587 1.570 375 HE ARG 48 HE ARG 48 14.253 12.210 2.342 376 HH11 ARG 48 HH11 ARG 48 17.756 11.831 2.888 377 HH12 ARG 48 HH12 ARG 48 17.773 12.759 4.345 378 HH21 ARG 48 HH21 ARG 48 14.268 13.414 4.269 379 HH22 ARG 48 HH22 ARG 48 15.745 13.742 5.123 380 H TYR 49 HN TYR 49 15.292 8.296 -1.029 381 HA TYR 49 HA TYR 49 12.742 8.172 -2.365 382 HB2 TYR 49 HB2 TYR 49 13.493 6.821 0.235 383 HB3 TYR 49 HB3 TYR 49 12.275 6.324 -0.905 384 HD1 TYR 49 HD2 TYR 49 13.643 6.347 -3.511 385 HD2 TYR 49 HD1 TYR 49 15.174 5.165 0.331 386 HE1 TYR 49 HE2 TYR 49 15.251 4.836 -4.623 387 HE2 TYR 49 HE1 TYR 49 16.680 3.533 -0.763 388 HH TYR 49 HH TYR 49 16.499 2.720 -4.158 389 H SER 50 HN SER 50 10.675 8.632 -1.553 390 HA SER 50 HA SER 50 10.377 10.841 0.320 391 HB2 SER 50 HB2 SER 50 8.483 8.866 -1.041 392 HB3 SER 50 HB3 SER 50 7.903 10.098 0.087 393 HG SER 50 HG SER 50 8.795 11.691 -1.163 394 HA PRO 51 HA PRO 51 9.837 8.393 4.056 395 HB2 PRO 51 HB2 PRO 51 8.065 9.855 5.510 396 HB3 PRO 51 HB3 PRO 51 9.735 10.419 5.201 397 HG2 PRO 51 HG2 PRO 51 7.189 11.236 3.774 398 HG3 PRO 51 HG3 PRO 51 8.546 12.271 4.324 399 HD2 PRO 51 HD2 PRO 51 8.266 11.377 1.754 400 HD3 PRO 51 HD3 PRO 51 9.838 11.760 2.494 401 H TYR 52 HN TYR 52 7.241 9.130 1.809 402 HA TYR 52 HA TYR 52 5.207 7.768 3.259 403 HB2 TYR 52 HB2 TYR 52 5.230 8.713 0.363 404 HB3 TYR 52 HB3 TYR 52 3.811 8.235 1.262 405 HD1 TYR 52 HD2 TYR 52 4.389 9.687 3.933 406 HD2 TYR 52 HD1 TYR 52 4.576 10.933 -0.202 407 HE1 TYR 52 HE2 TYR 52 4.040 12.013 4.619 408 HE2 TYR 52 HE1 TYR 52 4.154 13.255 0.485 409 HH TYR 52 HH TYR 52 3.718 14.751 2.338 410 H LEU 53 HN LEU 53 7.729 6.242 1.989 411 HA LEU 53 HA LEU 53 6.266 3.868 1.073 412 HB2 LEU 53 HB2 LEU 53 7.473 5.949 -0.633 413 HB3 LEU 53 HB3 LEU 53 8.184 4.375 -0.936 414 HG LEU 53 HG LEU 53 5.154 4.807 -0.885 415 HD11 LEU 53 HD11 LEU 53 5.225 4.969 -3.330 416 HD12 LEU 53 HD12 LEU 53 6.994 4.905 -3.290 417 HD13 LEU 53 HD13 LEU 53 6.137 6.298 -2.590 418 HD21 LEU 53 HD21 LEU 53 5.876 2.466 -0.716 419 HD22 LEU 53 HD22 LEU 53 6.937 2.678 -2.137 420 HD23 LEU 53 HD23 LEU 53 5.183 2.763 -2.320 421 H LYS 54 HN LYS 54 7.318 2.406 2.430 422 HA LYS 54 HA LYS 54 10.277 2.422 2.442 423 HB2 LYS 54 HB2 LYS 54 8.532 2.517 4.942 424 HB3 LYS 54 HB3 LYS 54 10.238 2.132 4.976 425 HG2 LYS 54 HG2 LYS 54 9.208 4.830 3.987 426 HG3 LYS 54 HG3 LYS 54 9.499 4.446 5.666 427 HD2 LYS 54 HD2 LYS 54 11.374 5.609 4.966 428 HD3 LYS 54 HD3 LYS 54 11.880 3.927 5.167 429 HE2 LYS 54 HE2 LYS 54 11.846 3.617 2.716 430 HE3 LYS 54 HE3 LYS 54 11.191 5.248 2.506 431 HZ1 LYS 54 HZ1 LYS 54 13.191 6.147 3.429 432 HZ2 LYS 54 HZ2 LYS 54 13.567 5.238 2.153 433 HZ3 LYS 54 HZ3 LYS 54 13.856 4.653 3.672 434 HA PRO 55 HA PRO 55 9.407 -1.987 2.726 435 HB2 PRO 55 HB2 PRO 55 11.798 -2.997 3.529 436 HB3 PRO 55 HB3 PRO 55 11.571 -2.293 1.899 437 HG2 PRO 55 HG2 PRO 55 12.705 -0.933 4.348 438 HG3 PRO 55 HG3 PRO 55 13.408 -0.989 2.697 439 HD2 PRO 55 HD2 PRO 55 11.902 1.124 3.597 440 HD3 PRO 55 HD3 PRO 55 11.841 0.601 1.896 441 H ARG 56 HN ARG 56 9.396 -3.680 4.406 442 HA ARG 56 HA ARG 56 9.695 -2.939 7.214 443 HB2 ARG 56 HB2 ARG 56 6.999 -3.192 5.893 444 HB3 ARG 56 HB3 ARG 56 7.202 -3.984 7.441 445 HG2 ARG 56 HG2 ARG 56 8.236 -1.712 8.250 446 HG3 ARG 56 HG3 ARG 56 7.451 -1.039 6.808 447 HD2 ARG 56 HD2 ARG 56 5.317 -2.124 7.593 448 HD3 ARG 56 HD3 ARG 56 6.119 -2.567 9.106 449 HE ARG 56 HE ARG 56 4.951 -0.071 8.436 450 HH11 ARG 56 HH11 ARG 56 7.613 -1.453 10.414 451 HH12 ARG 56 HH12 ARG 56 7.873 -0.013 11.290 452 HH21 ARG 56 HH21 ARG 56 5.455 1.906 9.495 453 HH22 ARG 56 HH22 ARG 56 6.580 1.934 10.808 454 H VAL 57 HN VAL 57 8.563 -5.254 8.372 455 HA VAL 57 HA VAL 57 9.278 -7.467 6.642 456 HB VAL 57 HB VAL 57 10.510 -7.329 9.405 457 HG11 VAL 57 HG11 VAL 57 11.729 -9.356 8.704 458 HG12 VAL 57 HG12 VAL 57 9.985 -9.617 8.634 459 HG13 VAL 57 HG13 VAL 57 10.896 -9.334 7.138 460 HG21 VAL 57 HG21 VAL 57 11.782 -5.773 8.061 461 HG22 VAL 57 HG22 VAL 57 12.730 -7.250 8.213 462 HG23 VAL 57 HG23 VAL 57 11.845 -6.904 6.708 463 H ILE 58 HN ILE 58 7.267 -8.384 6.565 464 HA ILE 58 HA ILE 58 5.955 -9.042 9.149 465 HB ILE 58 HB ILE 58 4.694 -8.543 6.424 466 HG12 ILE 58 HG12 ILE 58 4.459 -7.036 9.072 467 HG13 ILE 58 HG13 ILE 58 5.260 -6.460 7.608 468 HG21 ILE 58 HG21 ILE 58 3.591 -10.442 7.644 469 HG22 ILE 58 HG22 ILE 58 3.330 -9.367 9.028 470 HG23 ILE 58 HG23 ILE 58 2.528 -9.060 7.479 471 HD11 ILE 58 HD11 ILE 58 3.037 -6.562 6.413 472 HD12 ILE 58 HD12 ILE 58 2.277 -6.886 7.993 473 HD13 ILE 58 HD13 ILE 58 3.154 -5.384 7.739 474 H GLU 59 HN GLU 59 5.769 -11.255 9.468 475 HA GLU 59 HA GLU 59 6.228 -13.509 9.157 476 HB2 GLU 59 HB2 GLU 59 4.855 -12.791 6.558 477 HB3 GLU 59 HB3 GLU 59 5.183 -14.456 7.066 478 HG2 GLU 59 HG2 GLU 59 3.833 -14.254 9.008 479 HG3 GLU 59 HG3 GLU 59 3.684 -12.517 8.825 480 H GLY 60 HN GLY 60 8.391 -11.561 8.192 481 HA2 GLY 60 HA2 GLY 60 10.611 -11.961 7.615 482 HA3 GLY 60 HA1 GLY 60 10.190 -13.554 6.986 483 H VAL 61 HN VAL 61 8.037 -11.359 5.583 484 HA VAL 61 HA VAL 61 9.376 -11.331 3.019 485 HB VAL 61 HB VAL 61 6.900 -11.711 3.603 486 HG11 VAL 61 HG11 VAL 61 6.971 -9.192 4.638 487 HG12 VAL 61 HG12 VAL 61 6.316 -8.881 3.026 488 HG13 VAL 61 HG13 VAL 61 5.550 -10.067 4.099 489 HG21 VAL 61 HG21 VAL 61 7.741 -11.658 1.309 490 HG22 VAL 61 HG22 VAL 61 6.120 -10.930 1.501 491 HG23 VAL 61 HG23 VAL 61 7.562 -9.893 1.284 492 H ARG 62 HN ARG 62 9.555 -9.208 1.789 493 HA ARG 62 HA ARG 62 10.702 -7.079 3.500 494 HB2 ARG 62 HB2 ARG 62 10.407 -7.392 0.458 495 HB3 ARG 62 HB3 ARG 62 11.265 -6.072 1.216 496 HG2 ARG 62 HG2 ARG 62 12.765 -7.813 2.270 497 HG3 ARG 62 HG3 ARG 62 11.937 -9.050 1.328 498 HD2 ARG 62 HD2 ARG 62 12.568 -7.650 -0.754 499 HD3 ARG 62 HD3 ARG 62 13.703 -6.803 0.319 500 HE ARG 62 HE ARG 62 13.863 -9.716 0.421 501 HH11 ARG 62 HH11 ARG 62 15.083 -6.863 -1.336 502 HH12 ARG 62 HH12 ARG 62 16.453 -7.687 -2.007 503 HH21 ARG 62 HH21 ARG 62 15.600 -10.810 -0.526 504 HH22 ARG 62 HH22 ARG 62 16.634 -10.040 -1.708 505 H CYS 63 HN CYS 63 7.774 -7.718 2.018 506 HA CYS 63 HA CYS 63 5.896 -6.468 1.522 507 HB2 CYS 63 HB2 CYS 63 5.439 -4.862 3.643 508 HB3 CYS 63 HB3 CYS 63 5.093 -6.586 3.573 509 HG CYS 63 HG CYS 63 7.953 -5.342 4.596 510 H LEU 64 HN LEU 64 4.997 -3.866 1.804 511 HA LEU 64 HA LEU 64 7.124 -1.912 1.500 512 HB2 LEU 64 HB2 LEU 64 6.819 -2.656 -0.840 513 HB3 LEU 64 HB3 LEU 64 5.078 -2.406 -0.707 514 HG LEU 64 HG LEU 64 5.388 0.015 -0.470 515 HD11 LEU 64 HD11 LEU 64 8.372 -0.632 -0.528 516 HD12 LEU 64 HD12 LEU 64 7.461 0.247 0.713 517 HD13 LEU 64 HD13 LEU 64 7.730 0.980 -0.855 518 HD21 LEU 64 HD21 LEU 64 5.215 -0.988 -2.705 519 HD22 LEU 64 HD22 LEU 64 6.979 -1.199 -2.762 520 HD23 LEU 64 HD23 LEU 64 6.262 0.429 -2.740 521 H ALA 65 HN ALA 65 6.402 -0.574 3.120 522 HA ALA 65 HA ALA 65 3.577 -0.262 3.831 523 HB1 ALA 65 HB1 ALA 65 4.479 1.298 5.490 524 HB2 ALA 65 HB2 ALA 65 5.325 -0.256 5.569 525 HB3 ALA 65 HB3 ALA 65 6.098 1.152 4.795 526 H VAL 66 HN VAL 66 2.336 1.568 3.173 527 HA VAL 66 HA VAL 66 3.587 3.649 1.456 528 HB VAL 66 HB VAL 66 1.027 2.211 0.794 529 HG11 VAL 66 HG11 VAL 66 0.891 4.586 0.216 530 HG12 VAL 66 HG12 VAL 66 2.454 4.500 -0.619 531 HG13 VAL 66 HG13 VAL 66 1.046 3.603 -1.244 532 HG21 VAL 66 HG21 VAL 66 2.061 1.099 -0.871 533 HG22 VAL 66 HG22 VAL 66 3.354 2.308 -1.093 534 HG23 VAL 66 HG23 VAL 66 3.414 1.128 0.230 535 H ASP 67 HN ASP 67 3.265 5.442 2.637 536 HA ASP 67 HA ASP 67 1.465 5.663 4.891 537 HB2 ASP 67 HB2 ASP 67 3.774 6.659 4.575 538 HB3 ASP 67 HB3 ASP 67 3.047 7.765 3.386 539 H LEU 68 HN LEU 68 -0.611 6.354 4.858 540 HA LEU 68 HA LEU 68 -1.984 6.816 2.396 541 HB2 LEU 68 HB2 LEU 68 -2.712 6.465 5.174 542 HB3 LEU 68 HB3 LEU 68 -3.660 7.741 4.453 543 HG LEU 68 HG LEU 68 -3.323 4.976 3.264 544 HD11 LEU 68 HD11 LEU 68 -5.647 6.123 4.869 545 HD12 LEU 68 HD12 LEU 68 -4.514 4.876 5.433 546 HD13 LEU 68 HD13 LEU 68 -5.613 4.526 4.095 547 HD21 LEU 68 HD21 LEU 68 -3.955 6.611 1.525 548 HD22 LEU 68 HD22 LEU 68 -5.261 7.218 2.562 549 HD23 LEU 68 HD23 LEU 68 -5.333 5.577 1.901 550 H LYS 69 HN LYS 69 -0.181 8.965 4.411 551 HA LYS 69 HA LYS 69 -1.687 11.355 3.845 552 HB2 LYS 69 HB2 LYS 69 0.228 10.942 5.575 553 HB3 LYS 69 HB3 LYS 69 1.329 11.252 4.221 554 HG2 LYS 69 HG2 LYS 69 -0.949 13.194 4.775 555 HG3 LYS 69 HG3 LYS 69 0.332 13.142 5.956 556 HD2 LYS 69 HD2 LYS 69 1.893 14.079 4.627 557 HD3 LYS 69 HD3 LYS 69 1.225 13.463 3.113 558 HE2 LYS 69 HE2 LYS 69 -0.441 15.104 2.983 559 HE3 LYS 69 HE3 LYS 69 -0.384 15.441 4.729 560 HZ1 LYS 69 HZ1 LYS 69 1.722 16.195 2.802 561 HZ2 LYS 69 HZ2 LYS 69 1.742 16.474 4.427 562 HZ3 LYS 69 HZ3 LYS 69 0.593 17.205 3.483 563 H LEU 70 HN LEU 70 0.559 9.425 1.901 564 HA LEU 70 HA LEU 70 1.157 11.415 -0.054 565 HB2 LEU 70 HB2 LEU 70 2.364 9.441 -0.247 566 HB3 LEU 70 HB3 LEU 70 0.947 8.441 -0.212 567 HG LEU 70 HG LEU 70 1.838 8.527 -2.517 568 HD11 LEU 70 HD11 LEU 70 0.174 8.654 -3.781 569 HD12 LEU 70 HD12 LEU 70 -0.453 10.139 -3.085 570 HD13 LEU 70 HD13 LEU 70 -0.635 8.625 -2.207 571 HD21 LEU 70 HD21 LEU 70 1.556 11.515 -2.540 572 HD22 LEU 70 HD22 LEU 70 2.343 10.442 -3.717 573 HD23 LEU 70 HD23 LEU 70 3.072 10.694 -2.140 574 H LYS 71 HN LYS 71 -1.703 9.220 0.351 575 HA LYS 71 HA LYS 71 -2.966 9.818 -2.046 576 HB2 LYS 71 HB2 LYS 71 -3.552 7.981 -0.607 577 HB3 LYS 71 HB3 LYS 71 -4.237 9.091 0.594 578 HG2 LYS 71 HG2 LYS 71 -6.181 8.687 -0.263 579 HG3 LYS 71 HG3 LYS 71 -5.747 9.751 -1.588 580 HD2 LYS 71 HD2 LYS 71 -4.800 7.648 -2.755 581 HD3 LYS 71 HD3 LYS 71 -5.551 6.719 -1.454 582 HE2 LYS 71 HE2 LYS 71 -6.961 8.607 -3.376 583 HE3 LYS 71 HE3 LYS 71 -7.021 6.836 -3.447 584 HZ1 LYS 71 HZ1 LYS 71 -8.121 7.086 -1.108 585 HZ2 LYS 71 HZ2 LYS 71 -9.012 7.518 -2.427 586 HZ3 LYS 71 HZ3 LYS 71 -8.293 8.642 -1.495 587 H ASP 72 HN ASP 72 -2.593 11.818 0.800 588 HA ASP 72 HA ASP 72 -4.827 13.632 0.408 589 HB2 ASP 72 HB2 ASP 72 -3.269 13.024 2.526 590 HB3 ASP 72 HB3 ASP 72 -2.396 14.435 1.965 591 H THR 73 HN THR 73 -1.671 13.271 -0.949 592 HA THR 73 HA THR 73 -1.672 16.034 -2.036 593 HB THR 73 HB THR 73 -0.204 15.620 -0.080 594 HG1 THR 73 HG1 THR 73 0.464 17.265 -1.006 595 HG21 THR 73 HG21 THR 73 0.649 13.424 -0.459 596 HG22 THR 73 HG22 THR 73 1.978 14.564 -0.377 597 HG23 THR 73 HG23 THR 73 1.475 13.936 -1.955 598 H ASN 74 HN ASN 74 -0.708 12.634 -2.863 599 HA ASN 74 HA ASN 74 -1.043 13.471 -5.686 600 HB2 ASN 74 HB2 ASN 74 1.541 13.469 -5.111 601 HB3 ASN 74 HB3 ASN 74 1.401 11.760 -5.052 602 HD21 ASN 74 HD21 ASN 74 2.312 10.970 -7.047 603 HD22 ASN 74 HD22 ASN 74 1.788 11.573 -8.600 604 HA PRO 75 HA PRO 75 -2.555 9.413 -4.202 605 HB2 PRO 75 HB2 PRO 75 -5.275 9.558 -4.950 606 HB3 PRO 75 HB3 PRO 75 -4.608 10.254 -3.447 607 HG2 PRO 75 HG2 PRO 75 -5.091 11.695 -6.055 608 HG3 PRO 75 HG3 PRO 75 -5.607 12.189 -4.411 609 HD2 PRO 75 HD2 PRO 75 -3.351 13.179 -5.562 610 HD3 PRO 75 HD3 PRO 75 -3.376 12.769 -3.823 611 H GLU 76 HN GLU 76 -2.653 10.936 -7.276 612 HA GLU 76 HA GLU 76 -3.425 9.010 -9.163 613 HB2 GLU 76 HB2 GLU 76 -2.630 11.440 -9.396 614 HB3 GLU 76 HB3 GLU 76 -0.990 10.900 -9.042 615 HG2 GLU 76 HG2 GLU 76 -1.113 9.397 -11.069 616 HG3 GLU 76 HG3 GLU 76 -2.684 10.096 -11.418 617 H GLY 77 HN GLY 77 -0.363 9.366 -7.362 618 HA2 GLY 77 HA2 GLY 77 0.902 7.066 -8.556 619 HA3 GLY 77 HA1 GLY 77 1.375 7.879 -7.054 620 H PHE 78 HN PHE 78 -0.717 7.578 -5.382 621 HA PHE 78 HA PHE 78 -0.601 5.057 -4.220 622 HB2 PHE 78 HB2 PHE 78 -1.291 6.960 -3.140 623 HB3 PHE 78 HB3 PHE 78 -2.790 7.076 -4.010 624 HD1 PHE 78 HD1 PHE 78 -0.800 5.471 -1.485 625 HD2 PHE 78 HD2 PHE 78 -4.558 5.284 -3.524 626 HE1 PHE 78 HE1 PHE 78 -1.642 3.862 0.258 627 HE2 PHE 78 HE2 PHE 78 -5.409 3.650 -1.812 628 HZ PHE 78 HZ PHE 78 -3.923 2.950 0.054 629 H ASN 79 HN ASN 79 -3.088 6.313 -6.354 630 HA ASN 79 HA ASN 79 -4.849 4.230 -6.688 631 HB2 ASN 79 HB2 ASN 79 -3.878 6.490 -8.413 632 HB3 ASN 79 HB3 ASN 79 -5.038 5.397 -9.084 633 HD21 ASN 79 HD21 ASN 79 -5.219 8.330 -8.269 634 HD22 ASN 79 HD22 ASN 79 -6.644 8.383 -7.308 635 H GLN 80 HN GLN 80 -2.076 4.925 -8.953 636 HA GLN 80 HA GLN 80 -2.303 2.439 -10.323 637 HB2 GLN 80 HB2 GLN 80 -0.021 4.401 -9.892 638 HB3 GLN 80 HB3 GLN 80 0.115 3.056 -11.004 639 HG2 GLN 80 HG2 GLN 80 -1.486 5.598 -11.113 640 HG3 GLN 80 HG3 GLN 80 -0.314 4.965 -12.260 641 HE21 GLN 80 HE21 GLN 80 -2.982 6.031 -12.732 642 HE22 GLN 80 HE22 GLN 80 -3.993 4.720 -13.284 643 H LEU 81 HN LEU 81 -0.698 3.249 -7.304 644 HA LEU 81 HA LEU 81 1.131 1.043 -7.223 645 HB2 LEU 81 HB2 LEU 81 0.720 3.274 -5.660 646 HB3 LEU 81 HB3 LEU 81 0.026 2.034 -4.633 647 HG LEU 81 HG LEU 81 2.659 1.253 -5.776 648 HD11 LEU 81 HD11 LEU 81 2.584 3.618 -3.888 649 HD12 LEU 81 HD12 LEU 81 3.051 3.659 -5.619 650 HD13 LEU 81 HD13 LEU 81 4.023 2.734 -4.462 651 HD21 LEU 81 HD21 LEU 81 1.656 1.579 -2.918 652 HD22 LEU 81 HD22 LEU 81 3.132 0.715 -3.403 653 HD23 LEU 81 HD23 LEU 81 1.536 0.078 -3.861 654 H MET 82 HN MET 82 -2.169 1.477 -5.889 655 HA MET 82 HA MET 82 -2.368 -1.092 -4.730 656 HB2 MET 82 HB2 MET 82 -4.619 0.509 -6.009 657 HB3 MET 82 HB3 MET 82 -4.805 -0.810 -4.868 658 HG2 MET 82 HG2 MET 82 -3.617 1.938 -4.361 659 HG3 MET 82 HG3 MET 82 -5.122 1.317 -3.717 660 HE1 MET 82 HE1 MET 82 -4.984 -1.075 -2.117 661 HE2 MET 82 HE2 MET 82 -4.172 -0.641 -0.616 662 HE3 MET 82 HE3 MET 82 -5.328 0.491 -1.354 663 H HIS 83 HN HIS 83 -3.174 0.030 -8.056 664 HA HIS 83 HA HIS 83 -4.282 -2.359 -8.967 665 HB2 HIS 83 HB2 HIS 83 -4.228 -0.093 -10.114 666 HB3 HIS 83 HB3 HIS 83 -2.607 -0.477 -10.683 667 HD1 HIS 83 HD1 HIS 83 -3.259 -0.710 -13.316 668 HD2 HIS 83 HD2 HIS 83 -5.566 -3.013 -10.635 669 HE1 HIS 83 HE1 HIS 83 -4.706 -2.233 -14.726 670 H PHE 84 HN PHE 84 -0.841 -1.340 -9.062 671 HA PHE 84 HA PHE 84 0.202 -3.649 -10.328 672 HB2 PHE 84 HB2 PHE 84 1.558 -1.711 -10.019 673 HB3 PHE 84 HB3 PHE 84 1.464 -1.789 -8.257 674 HD1 PHE 84 HD2 PHE 84 2.637 -3.732 -7.056 675 HD2 PHE 84 HD1 PHE 84 3.206 -2.932 -11.245 676 HE1 PHE 84 HE2 PHE 84 4.687 -5.104 -7.033 677 HE2 PHE 84 HE1 PHE 84 5.249 -4.350 -11.220 678 HZ PHE 84 HZ PHE 84 5.995 -5.438 -9.122 679 H ALA 85 HN ALA 85 -0.669 -3.114 -6.890 680 HA ALA 85 HA ALA 85 0.607 -5.459 -5.899 681 HB1 ALA 85 HB1 ALA 85 -0.855 -5.233 -3.956 682 HB2 ALA 85 HB2 ALA 85 -0.179 -3.648 -4.406 683 HB3 ALA 85 HB3 ALA 85 -1.861 -4.052 -4.790 684 H THR 86 HN THR 86 -2.930 -4.959 -6.587 685 HA THR 86 HA THR 86 -3.517 -7.704 -6.329 686 HB THR 86 HB THR 86 -4.994 -5.523 -7.836 687 HG1 THR 86 HG1 THR 86 -6.206 -5.869 -5.661 688 HG21 THR 86 HG21 THR 86 -7.003 -6.893 -7.448 689 HG22 THR 86 HG22 THR 86 -6.005 -8.153 -6.687 690 HG23 THR 86 HG23 THR 86 -5.843 -7.798 -8.422 691 H GLU 87 HN GLU 87 -2.465 -5.860 -9.303 692 HA GLU 87 HA GLU 87 -3.063 -7.907 -11.109 693 HB2 GLU 87 HB2 GLU 87 -1.193 -5.546 -11.008 694 HB3 GLU 87 HB3 GLU 87 -0.837 -6.753 -12.228 695 HG2 GLU 87 HG2 GLU 87 -3.605 -5.519 -11.941 696 HG3 GLU 87 HG3 GLU 87 -2.330 -4.832 -12.951 697 H ASN 88 HN ASN 88 -0.129 -7.365 -9.225 698 HA ASN 88 HA ASN 88 1.206 -9.755 -10.324 699 HB2 ASN 88 HB2 ASN 88 2.143 -7.661 -8.335 700 HB3 ASN 88 HB3 ASN 88 3.098 -9.037 -8.885 701 HD21 ASN 88 HD21 ASN 88 1.519 -6.070 -9.908 702 HD22 ASN 88 HD22 ASN 88 2.189 -5.868 -11.482 703 H GLN 89 HN GLN 89 -1.272 -9.500 -8.422 704 HA GLN 89 HA GLN 89 -2.371 -10.714 -7.007 705 HB2 GLN 89 HB2 GLN 89 -0.254 -12.866 -7.327 706 HB3 GLN 89 HB3 GLN 89 -1.885 -13.095 -6.749 707 HG2 GLN 89 HG2 GLN 89 -1.200 -12.170 -9.573 708 HG3 GLN 89 HG3 GLN 89 -1.533 -13.824 -9.113 709 HE21 GLN 89 HE21 GLN 89 -3.043 -10.628 -9.691 710 HE22 GLN 89 HE22 GLN 89 -4.669 -11.168 -9.615 711 H LEU 90 HN LEU 90 -0.134 -9.001 -6.013 712 HA LEU 90 HA LEU 90 1.001 -10.185 -3.626 713 HB2 LEU 90 HB2 LEU 90 0.563 -7.270 -4.387 714 HB3 LEU 90 HB3 LEU 90 1.493 -7.832 -3.018 715 HG LEU 90 HG LEU 90 2.148 -8.345 -5.955 716 HD11 LEU 90 HD11 LEU 90 2.630 -6.032 -5.216 717 HD12 LEU 90 HD12 LEU 90 4.107 -6.934 -5.555 718 HD13 LEU 90 HD13 LEU 90 3.605 -6.669 -3.874 719 HD21 LEU 90 HD21 LEU 90 3.534 -9.272 -3.405 720 HD22 LEU 90 HD22 LEU 90 4.325 -9.207 -4.995 721 HD23 LEU 90 HD23 LEU 90 2.929 -10.266 -4.760 722 H ASN 91 HN ASN 91 0.251 -10.088 -1.571 723 HA ASN 91 HA ASN 91 -2.629 -9.734 -1.221 724 HB2 ASN 91 HB2 ASN 91 -0.929 -11.420 -0.020 725 HB3 ASN 91 HB3 ASN 91 -0.708 -10.087 1.086 726 HD21 ASN 91 HD21 ASN 91 -1.840 -12.521 2.010 727 HD22 ASN 91 HD22 ASN 91 -3.580 -12.320 2.190 728 H ILE 92 HN ILE 92 -3.448 -7.661 -0.955 729 HA ILE 92 HA ILE 92 -1.730 -5.445 -0.048 730 HB ILE 92 HB ILE 92 -4.743 -5.506 -0.526 731 HG12 ILE 92 HG12 ILE 92 -2.446 -4.690 -2.345 732 HG13 ILE 92 HG13 ILE 92 -3.615 -5.976 -2.627 733 HG21 ILE 92 HG21 ILE 92 -4.616 -3.089 -0.390 734 HG22 ILE 92 HG22 ILE 92 -3.855 -3.727 1.052 735 HG23 ILE 92 HG23 ILE 92 -2.844 -3.130 -0.263 736 HD11 ILE 92 HD11 ILE 92 -4.145 -2.996 -2.695 737 HD12 ILE 92 HD12 ILE 92 -4.199 -4.135 -4.036 738 HD13 ILE 92 HD13 ILE 92 -5.428 -4.234 -2.761 739 H LEU 93 HN LEU 93 -1.219 -5.466 2.085 740 HA LEU 93 HA LEU 93 -3.246 -6.357 4.041 741 HB2 LEU 93 HB2 LEU 93 -0.219 -6.401 4.040 742 HB3 LEU 93 HB3 LEU 93 -1.052 -6.061 5.521 743 HG LEU 93 HG LEU 93 -2.090 -8.251 5.539 744 HD11 LEU 93 HD11 LEU 93 -1.667 -9.941 3.832 745 HD12 LEU 93 HD12 LEU 93 -0.888 -8.679 2.816 746 HD13 LEU 93 HD13 LEU 93 -2.612 -8.589 3.207 747 HD21 LEU 93 HD21 LEU 93 -0.078 -9.687 5.581 748 HD22 LEU 93 HD22 LEU 93 0.277 -8.131 6.313 749 HD23 LEU 93 HD23 LEU 93 0.808 -8.439 4.674 750 H ASP 94 HN ASP 94 -3.214 -4.938 5.945 751 HA ASP 94 HA ASP 94 -2.655 -2.063 5.326 752 HB2 ASP 94 HB2 ASP 94 -5.029 -2.984 5.903 753 HB3 ASP 94 HB3 ASP 94 -4.453 -2.959 7.536 754 H ALA 95 HN ALA 95 -2.691 -1.169 7.848 755 HA ALA 95 HA ALA 95 0.042 -1.342 8.488 756 HB1 ALA 95 HB1 ALA 95 -0.409 0.002 10.484 757 HB2 ALA 95 HB2 ALA 95 -1.363 0.596 9.116 758 HB3 ALA 95 HB3 ALA 95 -2.136 -0.379 10.391 759 H GLU 96 HN GLU 96 -2.630 -3.088 10.024 760 HA GLU 96 HA GLU 96 -1.001 -4.306 12.125 761 HB2 GLU 96 HB2 GLU 96 -3.807 -4.673 11.029 762 HB3 GLU 96 HB3 GLU 96 -3.173 -5.778 12.244 763 HG2 GLU 96 HG2 GLU 96 -2.730 -3.878 13.774 764 HG3 GLU 96 HG3 GLU 96 -3.415 -2.776 12.565 765 H GLY 97 HN GLY 97 -1.109 -4.775 8.789 766 HA2 GLY 97 HA2 GLY 97 -0.514 -6.485 7.423 767 HA3 GLY 97 HA1 GLY 97 -0.035 -7.449 8.814 768 H ASN 98 HN ASN 98 -3.272 -5.984 8.490 769 HA ASN 98 HA ASN 98 -4.571 -8.658 8.334 770 HB2 ASN 98 HB2 ASN 98 -5.893 -5.918 8.144 771 HB3 ASN 98 HB3 ASN 98 -6.668 -7.461 8.432 772 HD21 ASN 98 HD21 ASN 98 -6.545 -4.807 9.929 773 HD22 ASN 98 HD22 ASN 98 -6.133 -5.227 11.567 774 H SER 99 HN SER 99 -5.144 -9.460 6.301 775 HA SER 99 HA SER 99 -4.533 -8.059 3.893 776 HB2 SER 99 HB2 SER 99 -6.226 -10.090 3.168 777 HB3 SER 99 HB3 SER 99 -4.469 -10.203 3.366 778 HG SER 99 HG SER 99 -6.298 -10.765 5.479 779 H ILE 100 HN ILE 100 -5.752 -6.804 2.583 780 HA ILE 100 HA ILE 100 -8.656 -6.580 2.975 781 HB ILE 100 HB ILE 100 -8.392 -4.064 2.721 782 HG12 ILE 100 HG12 ILE 100 -5.674 -4.414 4.035 783 HG13 ILE 100 HG13 ILE 100 -5.852 -4.208 2.292 784 HG21 ILE 100 HG21 ILE 100 -7.595 -5.253 5.393 785 HG22 ILE 100 HG22 ILE 100 -8.394 -3.694 5.106 786 HG23 ILE 100 HG23 ILE 100 -9.247 -5.191 4.734 787 HD11 ILE 100 HD11 ILE 100 -5.376 -2.062 3.342 788 HD12 ILE 100 HD12 ILE 100 -6.983 -2.058 2.590 789 HD13 ILE 100 HD13 ILE 100 -6.826 -2.197 4.353 790 H ASP 101 HN ASP 101 -9.460 -5.088 1.221 791 HA ASP 101 HA ASP 101 -8.518 -5.756 -1.482 792 HB2 ASP 101 HB2 ASP 101 -11.000 -5.305 -0.361 793 HB3 ASP 101 HB3 ASP 101 -10.626 -3.716 -0.900 794 H ALA 102 HN ALA 102 -8.799 -3.513 -2.840 795 HA ALA 102 HA ALA 102 -7.425 -1.351 -1.302 796 HB1 ALA 102 HB1 ALA 102 -7.970 -1.444 -4.274 797 HB2 ALA 102 HB2 ALA 102 -7.003 -0.238 -3.401 798 HB3 ALA 102 HB3 ALA 102 -6.443 -1.935 -3.532 799 H ALA 103 HN ALA 103 -10.445 -2.536 -2.305 800 HA ALA 103 HA ALA 103 -11.839 -0.127 -3.038 801 HB1 ALA 103 HB1 ALA 103 -12.842 -2.873 -2.176 802 HB2 ALA 103 HB2 ALA 103 -13.810 -1.612 -2.952 803 HB3 ALA 103 HB3 ALA 103 -12.482 -2.369 -3.837 804 H GLN 104 HN GLN 104 -10.790 -1.189 0.037 805 HA GLN 104 HA GLN 104 -12.819 0.499 1.404 806 HB2 GLN 104 HB2 GLN 104 -10.986 -1.642 2.548 807 HB3 GLN 104 HB3 GLN 104 -12.163 -0.676 3.432 808 HG2 GLN 104 HG2 GLN 104 -13.889 -1.703 1.769 809 HG3 GLN 104 HG3 GLN 104 -12.611 -2.880 1.415 810 HE21 GLN 104 HE21 GLN 104 -11.596 -3.913 3.543 811 HE22 GLN 104 HE22 GLN 104 -12.821 -4.418 4.693 812 H VAL 105 HN VAL 105 -10.070 0.995 -0.142 813 HA VAL 105 HA VAL 105 -9.043 2.917 1.879 814 HB VAL 105 HB VAL 105 -7.298 1.541 -0.183 815 HG11 VAL 105 HG11 VAL 105 -6.383 3.646 0.579 816 HG12 VAL 105 HG12 VAL 105 -6.732 3.244 2.276 817 HG13 VAL 105 HG13 VAL 105 -5.494 2.345 1.388 818 HG21 VAL 105 HG21 VAL 105 -6.359 0.228 1.722 819 HG22 VAL 105 HG22 VAL 105 -7.719 0.785 2.735 820 HG23 VAL 105 HG23 VAL 105 -7.994 -0.203 1.280 821 H THR 106 HN THR 106 -9.535 2.361 -1.680 822 HA THR 106 HA THR 106 -8.573 5.047 -2.162 823 HB THR 106 HB THR 106 -9.433 4.485 -4.537 824 HG1 THR 106 HG1 THR 106 -9.588 2.361 -4.966 825 HG21 THR 106 HG21 THR 106 -7.343 3.305 -4.953 826 HG22 THR 106 HG22 THR 106 -7.208 2.903 -3.217 827 HG23 THR 106 HG23 THR 106 -7.092 4.594 -3.788 828 H GLU 107 HN GLU 107 -11.613 3.831 -1.429 829 HA GLU 107 HA GLU 107 -13.077 6.172 -2.563 830 HB2 GLU 107 HB2 GLU 107 -13.370 3.185 -2.733 831 HB3 GLU 107 HB3 GLU 107 -14.855 4.099 -2.642 832 HG2 GLU 107 HG2 GLU 107 -12.926 5.224 -4.596 833 HG3 GLU 107 HG3 GLU 107 -13.475 3.579 -4.946 834 H ILE 108 HN ILE 108 -12.048 5.730 0.196 835 HA ILE 108 HA ILE 108 -14.175 5.079 1.994 836 HB ILE 108 HB ILE 108 -12.058 7.144 2.676 837 HG12 ILE 108 HG12 ILE 108 -11.579 4.130 2.510 838 HG13 ILE 108 HG13 ILE 108 -10.790 5.387 1.553 839 HG21 ILE 108 HG21 ILE 108 -13.192 4.829 4.299 840 HG22 ILE 108 HG22 ILE 108 -12.290 6.233 4.904 841 HG23 ILE 108 HG23 ILE 108 -13.926 6.437 4.295 842 HD11 ILE 108 HD11 ILE 108 -10.431 4.907 4.531 843 HD12 ILE 108 HD12 ILE 108 -9.244 4.711 3.233 844 HD13 ILE 108 HD13 ILE 108 -9.802 6.331 3.653 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -15.127 -6.627 4.480 2 HA2 GLY 1 HA2 GLY 1 -17.366 -6.047 3.687 3 HA3 GLY 1 HA1 GLY 1 -16.870 -7.642 3.090 4 H MET 2 HN MET 2 -19.584 -6.398 3.788 5 HA MET 2 HA MET 2 -21.434 -6.681 5.035 6 HB2 MET 2 HB2 MET 2 -22.388 -8.902 5.178 7 HB3 MET 2 HB3 MET 2 -21.831 -8.482 3.564 8 HG2 MET 2 HG2 MET 2 -20.021 -9.987 3.644 9 HG3 MET 2 HG3 MET 2 -20.110 -10.173 5.397 10 HE1 MET 2 HE1 MET 2 -22.460 -11.041 6.567 11 HE2 MET 2 HE2 MET 2 -22.681 -12.757 6.148 12 HE3 MET 2 HE3 MET 2 -21.061 -12.138 6.527 13 H GLY 3 HN GLY 3 -19.877 -5.698 6.594 14 HA2 GLY 3 HA2 GLY 3 -19.589 -5.823 9.145 15 HA3 GLY 3 HA1 GLY 3 -18.920 -7.432 8.772 16 H THR 4 HN THR 4 -17.190 -5.510 9.862 17 HA THR 4 HA THR 4 -15.171 -4.455 9.448 18 HB THR 4 HB THR 4 -13.678 -6.255 8.467 19 HG1 THR 4 HG1 THR 4 -14.552 -7.988 7.637 20 HG21 THR 4 HG21 THR 4 -14.295 -6.117 10.901 21 HG22 THR 4 HG22 THR 4 -14.006 -7.766 10.341 22 HG23 THR 4 HG23 THR 4 -15.671 -7.194 10.592 23 H THR 5 HN THR 5 -16.469 -2.837 7.926 24 HA THR 5 HA THR 5 -14.667 -2.380 5.666 25 HB THR 5 HB THR 5 -17.568 -2.036 5.056 26 HG1 THR 5 HG1 THR 5 -17.053 -4.322 5.699 27 HG21 THR 5 HG21 THR 5 -15.322 -2.951 3.226 28 HG22 THR 5 HG22 THR 5 -15.630 -1.243 3.532 29 HG23 THR 5 HG23 THR 5 -16.882 -2.233 2.771 30 H GLU 6 HN GLU 6 -15.442 -1.202 8.450 31 HA GLU 6 HA GLU 6 -16.956 1.225 7.759 32 HB2 GLU 6 HB2 GLU 6 -16.098 -0.142 10.329 33 HB3 GLU 6 HB3 GLU 6 -16.870 1.456 10.320 34 HG2 GLU 6 HG2 GLU 6 -18.894 0.608 9.437 35 HG3 GLU 6 HG3 GLU 6 -18.155 -0.904 8.890 36 H LYS 7 HN LYS 7 -16.156 3.326 8.184 37 HA LYS 7 HA LYS 7 -13.516 3.946 7.532 38 HB2 LYS 7 HB2 LYS 7 -15.565 5.519 9.122 39 HB3 LYS 7 HB3 LYS 7 -13.973 6.175 8.772 40 HG2 LYS 7 HG2 LYS 7 -14.399 5.929 6.344 41 HG3 LYS 7 HG3 LYS 7 -16.030 5.376 6.698 42 HD2 LYS 7 HD2 LYS 7 -14.887 8.126 7.416 43 HD3 LYS 7 HD3 LYS 7 -15.962 7.743 6.070 44 HE2 LYS 7 HE2 LYS 7 -17.573 8.450 7.500 45 HE3 LYS 7 HE3 LYS 7 -17.538 6.747 7.963 46 HZ1 LYS 7 HZ1 LYS 7 -16.476 9.079 9.435 47 HZ2 LYS 7 HZ2 LYS 7 -15.869 7.583 9.756 48 HZ3 LYS 7 HZ3 LYS 7 -17.451 7.840 9.935 49 H SER 8 HN SER 8 -11.638 3.473 8.569 50 HA SER 8 HA SER 8 -11.516 4.000 11.488 51 HB2 SER 8 HB2 SER 8 -11.304 1.542 10.839 52 HB3 SER 8 HB3 SER 8 -9.720 1.981 10.134 53 HG SER 8 HG SER 8 -9.750 1.318 12.443 54 H GLY 9 HN GLY 9 -8.955 4.207 11.938 55 HA2 GLY 9 HA2 GLY 9 -8.326 6.790 10.664 56 HA3 GLY 9 HA1 GLY 9 -7.739 6.152 12.199 57 H ILE 10 HN ILE 10 -7.630 4.191 9.277 58 HA ILE 10 HA ILE 10 -4.839 3.659 9.464 59 HB ILE 10 HB ILE 10 -6.872 3.249 7.227 60 HG12 ILE 10 HG12 ILE 10 -5.709 1.183 9.157 61 HG13 ILE 10 HG13 ILE 10 -7.200 2.057 9.505 62 HG21 ILE 10 HG21 ILE 10 -4.090 2.024 7.514 63 HG22 ILE 10 HG22 ILE 10 -5.276 1.627 6.258 64 HG23 ILE 10 HG23 ILE 10 -4.571 3.225 6.287 65 HD11 ILE 10 HD11 ILE 10 -7.711 -0.103 8.548 66 HD12 ILE 10 HD12 ILE 10 -8.252 1.211 7.476 67 HD13 ILE 10 HD13 ILE 10 -6.788 0.282 7.090 68 H LYS 11 HN LYS 11 -3.250 5.045 8.954 69 HA LYS 11 HA LYS 11 -3.575 6.835 6.598 70 HB2 LYS 11 HB2 LYS 11 -2.240 7.557 9.221 71 HB3 LYS 11 HB3 LYS 11 -2.159 8.536 7.760 72 HG2 LYS 11 HG2 LYS 11 -4.772 7.810 9.146 73 HG3 LYS 11 HG3 LYS 11 -3.868 9.282 9.423 74 HD2 LYS 11 HD2 LYS 11 -4.192 9.982 7.075 75 HD3 LYS 11 HD3 LYS 11 -4.929 8.432 6.694 76 HE2 LYS 11 HE2 LYS 11 -6.876 9.460 7.001 77 HE3 LYS 11 HE3 LYS 11 -6.581 9.129 8.703 78 HZ1 LYS 11 HZ1 LYS 11 -7.198 11.398 8.396 79 HZ2 LYS 11 HZ2 LYS 11 -6.030 11.632 7.243 80 HZ3 LYS 11 HZ3 LYS 11 -5.629 11.383 8.841 81 H GLU 12 HN GLU 12 -2.398 4.079 6.921 82 HA GLU 12 HA GLU 12 -0.252 4.565 5.134 83 HB2 GLU 12 HB2 GLU 12 0.881 4.886 7.355 84 HB3 GLU 12 HB3 GLU 12 0.355 3.274 7.831 85 HG2 GLU 12 HG2 GLU 12 1.816 2.273 6.149 86 HG3 GLU 12 HG3 GLU 12 2.186 3.877 5.466 87 H ILE 13 HN ILE 13 -0.313 2.729 3.766 88 HA ILE 13 HA ILE 13 -1.872 0.344 4.711 89 HB ILE 13 HB ILE 13 -2.247 -0.146 2.321 90 HG12 ILE 13 HG12 ILE 13 -1.498 2.682 1.551 91 HG13 ILE 13 HG13 ILE 13 -0.214 1.485 1.710 92 HG21 ILE 13 HG21 ILE 13 -3.333 2.582 3.130 93 HG22 ILE 13 HG22 ILE 13 -4.039 1.425 1.982 94 HG23 ILE 13 HG23 ILE 13 -3.953 1.018 3.696 95 HD11 ILE 13 HD11 ILE 13 -2.628 1.073 -0.037 96 HD12 ILE 13 HD12 ILE 13 -1.026 1.617 -0.596 97 HD13 ILE 13 HD13 ILE 13 -1.210 0.007 0.130 98 H ILE 14 HN ILE 14 -0.978 -1.765 3.412 99 HA ILE 14 HA ILE 14 1.953 -1.539 3.288 100 HB ILE 14 HB ILE 14 0.592 -3.491 5.191 101 HG12 ILE 14 HG12 ILE 14 2.289 -1.011 5.802 102 HG13 ILE 14 HG13 ILE 14 0.560 -1.184 6.109 103 HG21 ILE 14 HG21 ILE 14 2.664 -4.347 4.078 104 HG22 ILE 14 HG22 ILE 14 3.558 -2.928 4.682 105 HG23 ILE 14 HG23 ILE 14 2.885 -4.140 5.803 106 HD11 ILE 14 HD11 ILE 14 1.007 -2.973 7.733 107 HD12 ILE 14 HD12 ILE 14 2.757 -2.684 7.544 108 HD13 ILE 14 HD13 ILE 14 1.693 -1.417 8.176 109 H ILE 15 HN ILE 15 2.329 -2.227 1.322 110 HA ILE 15 HA ILE 15 0.654 -4.181 -0.085 111 HB ILE 15 HB ILE 15 3.419 -3.179 -0.811 112 HG12 ILE 15 HG12 ILE 15 2.101 -1.176 -0.416 113 HG13 ILE 15 HG13 ILE 15 2.573 -1.388 -2.081 114 HG21 ILE 15 HG21 ILE 15 2.673 -3.639 -3.141 115 HG22 ILE 15 HG22 ILE 15 2.660 -5.090 -2.126 116 HG23 ILE 15 HG23 ILE 15 1.139 -4.277 -2.501 117 HD11 ILE 15 HD11 ILE 15 -0.170 -2.211 -1.105 118 HD12 ILE 15 HD12 ILE 15 0.205 -0.577 -1.679 119 HD13 ILE 15 HD13 ILE 15 0.378 -1.958 -2.775 120 H GLN 16 HN GLN 16 0.840 -6.385 0.575 121 HA GLN 16 HA GLN 16 3.273 -7.266 1.880 122 HB2 GLN 16 HB2 GLN 16 0.748 -8.145 2.100 123 HB3 GLN 16 HB3 GLN 16 1.236 -9.195 0.787 124 HG2 GLN 16 HG2 GLN 16 3.225 -9.889 2.271 125 HG3 GLN 16 HG3 GLN 16 2.549 -8.844 3.538 126 HE21 GLN 16 HE21 GLN 16 2.223 -10.461 5.134 127 HE22 GLN 16 HE22 GLN 16 1.187 -11.815 4.865 128 H GLY 17 HN GLY 17 4.744 -8.856 0.968 129 HA2 GLY 17 HA2 GLY 17 5.029 -8.635 -1.998 130 HA3 GLY 17 HA1 GLY 17 6.278 -9.171 -0.884 131 H LEU 18 HN LEU 18 3.256 -10.585 -0.075 132 HA LEU 18 HA LEU 18 3.935 -13.143 -1.372 133 HB2 LEU 18 HB2 LEU 18 2.694 -12.303 1.169 134 HB3 LEU 18 HB3 LEU 18 1.561 -13.279 0.229 135 HG LEU 18 HG LEU 18 3.366 -15.036 -0.036 136 HD11 LEU 18 HD11 LEU 18 5.361 -14.886 1.466 137 HD12 LEU 18 HD12 LEU 18 4.865 -13.276 1.970 138 HD13 LEU 18 HD13 LEU 18 5.385 -13.584 0.289 139 HD21 LEU 18 HD21 LEU 18 3.205 -15.807 2.309 140 HD22 LEU 18 HD22 LEU 18 1.656 -15.143 1.754 141 HD23 LEU 18 HD23 LEU 18 2.698 -14.170 2.801 142 H THR 19 HN THR 19 2.537 -13.999 -2.878 143 HA THR 19 HA THR 19 0.613 -12.183 -4.101 144 HB THR 19 HB THR 19 0.362 -13.882 -5.760 145 HG1 THR 19 HG1 THR 19 1.395 -15.858 -5.642 146 HG21 THR 19 HG21 THR 19 3.333 -13.922 -5.093 147 HG22 THR 19 HG22 THR 19 2.500 -12.523 -5.838 148 HG23 THR 19 HG23 THR 19 2.578 -14.077 -6.683 149 H ARG 20 HN ARG 20 -1.652 -13.017 -4.411 150 HA ARG 20 HA ARG 20 -2.981 -13.882 -2.088 151 HB2 ARG 20 HB2 ARG 20 -4.875 -14.251 -3.474 152 HB3 ARG 20 HB3 ARG 20 -4.044 -12.743 -3.915 153 HG2 ARG 20 HG2 ARG 20 -3.025 -14.070 -5.849 154 HG3 ARG 20 HG3 ARG 20 -4.151 -15.373 -5.479 155 HD2 ARG 20 HD2 ARG 20 -5.380 -12.640 -5.711 156 HD3 ARG 20 HD3 ARG 20 -4.644 -13.260 -7.185 157 HE ARG 20 HE ARG 20 -6.290 -14.675 -7.520 158 HH11 ARG 20 HH11 ARG 20 -6.777 -13.387 -4.208 159 HH12 ARG 20 HH12 ARG 20 -8.062 -14.507 -3.876 160 HH21 ARG 20 HH21 ARG 20 -8.210 -15.848 -7.130 161 HH22 ARG 20 HH22 ARG 20 -8.974 -15.799 -5.567 162 H ALA 21 HN ALA 21 -1.216 -15.772 -4.288 163 HA ALA 21 HA ALA 21 -2.435 -18.353 -3.659 164 HB1 ALA 21 HB1 ALA 21 0.328 -17.837 -4.821 165 HB2 ALA 21 HB2 ALA 21 -0.623 -19.331 -4.902 166 HB3 ALA 21 HB3 ALA 21 -1.164 -17.885 -5.789 167 H GLY 22 HN GLY 22 -0.338 -16.224 -1.894 168 HA2 GLY 22 HA2 GLY 22 0.617 -16.522 0.145 169 HA3 GLY 22 HA1 GLY 22 0.125 -18.221 0.162 170 H LYS 23 HN LYS 23 1.999 -16.833 -2.513 171 HA LYS 23 HA LYS 23 4.477 -18.192 -1.619 172 HB2 LYS 23 HB2 LYS 23 3.136 -18.033 -4.369 173 HB3 LYS 23 HB3 LYS 23 4.869 -18.195 -4.218 174 HG2 LYS 23 HG2 LYS 23 4.207 -20.425 -4.383 175 HG3 LYS 23 HG3 LYS 23 4.451 -20.165 -2.662 176 HD2 LYS 23 HD2 LYS 23 1.688 -19.637 -3.219 177 HD3 LYS 23 HD3 LYS 23 2.112 -21.141 -4.036 178 HE2 LYS 23 HE2 LYS 23 2.935 -22.132 -1.957 179 HE3 LYS 23 HE3 LYS 23 2.759 -20.591 -1.105 180 HZ1 LYS 23 HZ1 LYS 23 0.536 -22.258 -2.135 181 HZ2 LYS 23 HZ2 LYS 23 0.334 -20.756 -1.552 182 HZ3 LYS 23 HZ3 LYS 23 0.863 -21.917 -0.568 183 HA PRO 24 HA PRO 24 6.003 -14.081 -2.038 184 HB2 PRO 24 HB2 PRO 24 8.650 -14.337 -2.586 185 HB3 PRO 24 HB3 PRO 24 7.938 -14.805 -1.011 186 HG2 PRO 24 HG2 PRO 24 8.605 -16.617 -3.352 187 HG3 PRO 24 HG3 PRO 24 8.959 -16.857 -1.603 188 HD2 PRO 24 HD2 PRO 24 6.795 -17.978 -2.903 189 HD3 PRO 24 HD3 PRO 24 6.783 -17.542 -1.174 190 H PHE 25 HN PHE 25 6.115 -12.536 -3.558 191 HA PHE 25 HA PHE 25 6.146 -13.110 -6.429 192 HB2 PHE 25 HB2 PHE 25 4.727 -11.403 -5.289 193 HB3 PHE 25 HB3 PHE 25 6.169 -10.545 -4.778 194 HD1 PHE 25 HD1 PHE 25 4.453 -11.812 -7.904 195 HD2 PHE 25 HD2 PHE 25 6.870 -8.715 -6.085 196 HE1 PHE 25 HE1 PHE 25 4.323 -10.480 -9.983 197 HE2 PHE 25 HE2 PHE 25 6.766 -7.426 -8.220 198 HZ PHE 25 HZ PHE 25 5.465 -8.286 -10.134 199 H ARG 26 HN ARG 26 7.779 -11.951 -7.824 200 HA ARG 26 HA ARG 26 10.401 -11.397 -6.612 201 HB2 ARG 26 HB2 ARG 26 9.753 -13.047 -9.052 202 HB3 ARG 26 HB3 ARG 26 11.208 -12.130 -9.077 203 HG2 ARG 26 HG2 ARG 26 10.737 -13.994 -6.753 204 HG3 ARG 26 HG3 ARG 26 11.227 -14.634 -8.329 205 HD2 ARG 26 HD2 ARG 26 13.224 -13.246 -8.378 206 HD3 ARG 26 HD3 ARG 26 12.775 -12.506 -6.838 207 HE ARG 26 HE ARG 26 13.247 -14.475 -5.676 208 HH11 ARG 26 HH11 ARG 26 14.232 -14.888 -9.139 209 HH12 ARG 26 HH12 ARG 26 14.955 -16.428 -8.791 210 HH21 ARG 26 HH21 ARG 26 14.425 -16.256 -5.302 211 HH22 ARG 26 HH22 ARG 26 15.405 -17.009 -6.521 212 HA PRO 27 HA PRO 27 12.342 -10.534 -8.256 213 HB2 PRO 27 HB2 PRO 27 13.474 -8.032 -7.804 214 HB3 PRO 27 HB3 PRO 27 13.271 -8.765 -9.432 215 HG2 PRO 27 HG2 PRO 27 11.526 -6.721 -8.051 216 HG3 PRO 27 HG3 PRO 27 12.055 -6.760 -9.757 217 HD2 PRO 27 HD2 PRO 27 9.587 -7.641 -8.992 218 HD3 PRO 27 HD3 PRO 27 10.500 -8.444 -10.311 219 H SER 28 HN SER 28 13.655 -10.567 -6.268 220 HA SER 28 HA SER 28 12.118 -10.191 -3.791 221 HB2 SER 28 HB2 SER 28 15.034 -10.848 -4.324 222 HB3 SER 28 HB3 SER 28 14.158 -10.984 -2.785 223 HG SER 28 HG SER 28 13.016 -12.671 -3.529 224 H ASP 29 HN ASP 29 14.400 -8.301 -5.704 225 HA ASP 29 HA ASP 29 14.722 -6.240 -3.667 226 HB2 ASP 29 HB2 ASP 29 15.435 -6.129 -6.597 227 HB3 ASP 29 HB3 ASP 29 16.012 -5.096 -5.272 228 H TRP 30 HN TRP 30 11.899 -6.968 -5.251 229 HA TRP 30 HA TRP 30 11.091 -4.648 -6.608 230 HB2 TRP 30 HB2 TRP 30 8.923 -5.301 -6.396 231 HB3 TRP 30 HB3 TRP 30 9.796 -6.803 -6.481 232 HD1 TRP 30 HD1 TRP 30 9.301 -8.497 -4.477 233 HE1 TRP 30 HE1 TRP 30 7.804 -8.508 -2.461 234 HE3 TRP 30 HE3 TRP 30 7.666 -3.671 -4.784 235 HZ2 TRP 30 HZ2 TRP 30 5.892 -6.589 -1.165 236 HZ3 TRP 30 HZ3 TRP 30 5.847 -2.887 -3.301 237 HH2 TRP 30 HH2 TRP 30 5.016 -4.355 -1.468 238 H VAL 31 HN VAL 31 11.245 -5.164 -3.101 239 HA VAL 31 HA VAL 31 9.598 -2.924 -2.431 240 HB VAL 31 HB VAL 31 11.534 -4.671 -0.870 241 HG11 VAL 31 HG11 VAL 31 11.481 -2.533 0.296 242 HG12 VAL 31 HG12 VAL 31 9.711 -2.502 0.239 243 HG13 VAL 31 HG13 VAL 31 10.555 -3.746 1.194 244 HG21 VAL 31 HG21 VAL 31 9.201 -5.310 0.144 245 HG22 VAL 31 HG22 VAL 31 8.517 -4.459 -1.220 246 HG23 VAL 31 HG23 VAL 31 9.577 -5.871 -1.495 247 H ASP 32 HN ASP 32 12.926 -3.060 -3.466 248 HA ASP 32 HA ASP 32 13.409 -0.283 -2.455 249 HB2 ASP 32 HB2 ASP 32 14.984 -2.456 -3.890 250 HB3 ASP 32 HB3 ASP 32 15.536 -0.797 -3.993 251 H ARG 33 HN ARG 33 12.244 -2.009 -5.241 252 HA ARG 33 HA ARG 33 13.077 -0.018 -7.222 253 HB2 ARG 33 HB2 ARG 33 10.888 -2.151 -7.317 254 HB3 ARG 33 HB3 ARG 33 11.190 -0.990 -8.596 255 HG2 ARG 33 HG2 ARG 33 13.565 -1.775 -8.724 256 HG3 ARG 33 HG3 ARG 33 13.161 -3.063 -7.577 257 HD2 ARG 33 HD2 ARG 33 11.550 -4.028 -9.116 258 HD3 ARG 33 HD3 ARG 33 11.646 -2.628 -10.190 259 HE ARG 33 HE ARG 33 13.657 -4.772 -9.869 260 HH11 ARG 33 HH11 ARG 33 12.958 -1.562 -11.396 261 HH12 ARG 33 HH12 ARG 33 14.307 -1.709 -12.465 262 HH21 ARG 33 HH21 ARG 33 15.314 -4.929 -11.404 263 HH22 ARG 33 HH22 ARG 33 15.618 -3.581 -12.465 264 H MET 34 HN MET 34 10.075 -0.708 -5.479 265 HA MET 34 HA MET 34 8.519 1.353 -6.603 266 HB2 MET 34 HB2 MET 34 8.396 -0.379 -4.166 267 HB3 MET 34 HB3 MET 34 7.408 1.098 -4.130 268 HG2 MET 34 HG2 MET 34 7.318 -0.667 -6.543 269 HG3 MET 34 HG3 MET 34 6.399 -1.073 -5.096 270 HE1 MET 34 HE1 MET 34 5.012 -0.880 -7.422 271 HE2 MET 34 HE2 MET 34 3.942 0.506 -7.718 272 HE3 MET 34 HE3 MET 34 5.603 0.478 -8.403 273 H CYS 35 HN CYS 35 10.451 1.545 -3.580 274 HA CYS 35 HA CYS 35 9.760 4.169 -3.012 275 HB2 CYS 35 HB2 CYS 35 11.602 4.189 -1.476 276 HB3 CYS 35 HB3 CYS 35 10.844 2.583 -1.440 277 HG CYS 35 HG CYS 35 12.692 1.673 -3.313 278 H SER 36 HN SER 36 12.077 3.060 -5.314 279 HA SER 36 HA SER 36 13.316 5.623 -5.923 280 HB2 SER 36 HB2 SER 36 13.994 3.024 -6.294 281 HB3 SER 36 HB3 SER 36 13.367 3.378 -7.899 282 HG SER 36 HG SER 36 15.019 4.651 -8.244 283 H THR 37 HN THR 37 10.704 3.566 -7.281 284 HA THR 37 HA THR 37 10.157 5.048 -9.593 285 HB THR 37 HB THR 37 8.249 3.390 -7.898 286 HG1 THR 37 HG1 THR 37 9.014 1.748 -9.380 287 HG21 THR 37 HG21 THR 37 8.224 4.137 -10.849 288 HG22 THR 37 HG22 THR 37 7.051 4.633 -9.621 289 HG23 THR 37 HG23 THR 37 7.157 2.929 -10.093 290 H TYR 38 HN TYR 38 9.378 5.840 -6.271 291 HA TYR 38 HA TYR 38 8.039 8.341 -7.211 292 HB2 TYR 38 HB2 TYR 38 7.377 6.621 -4.806 293 HB3 TYR 38 HB3 TYR 38 6.703 8.223 -5.107 294 HD1 TYR 38 HD1 TYR 38 5.241 8.657 -7.063 295 HD2 TYR 38 HD2 TYR 38 6.533 4.664 -6.044 296 HE1 TYR 38 HE1 TYR 38 3.533 7.739 -8.551 297 HE2 TYR 38 HE2 TYR 38 4.816 3.719 -7.557 298 HH TYR 38 HH TYR 38 3.074 4.177 -9.017 299 H ALA 39 HN ALA 39 10.737 8.157 -7.065 300 HA ALA 39 HA ALA 39 11.479 9.610 -4.563 301 HB1 ALA 39 HB1 ALA 39 13.776 8.950 -5.071 302 HB2 ALA 39 HB2 ALA 39 12.748 7.540 -4.950 303 HB3 ALA 39 HB3 ALA 39 13.246 8.133 -6.551 304 H SER 40 HN SER 40 13.577 11.000 -5.180 305 HA SER 40 HA SER 40 13.575 12.288 -7.765 306 HB2 SER 40 HB2 SER 40 13.360 14.582 -6.698 307 HB3 SER 40 HB3 SER 40 11.872 13.644 -6.816 308 HG SER 40 HG SER 40 13.121 14.622 -4.637 309 H PHE 41 HN PHE 41 15.561 13.561 -7.989 310 HA PHE 41 HA PHE 41 17.804 12.633 -6.452 311 HB2 PHE 41 HB2 PHE 41 17.270 14.567 -8.656 312 HB3 PHE 41 HB3 PHE 41 18.661 14.932 -7.611 313 HD1 PHE 41 HD2 PHE 41 17.405 11.537 -8.738 314 HD2 PHE 41 HD1 PHE 41 20.457 14.539 -9.167 315 HE1 PHE 41 HE2 PHE 41 18.849 9.910 -9.858 316 HE2 PHE 41 HE1 PHE 41 21.955 12.861 -10.213 317 HZ PHE 41 HZ PHE 41 21.163 10.537 -10.581 318 H GLY 42 HN GLY 42 18.752 13.513 -4.771 319 HA2 GLY 42 HA2 GLY 42 17.493 15.730 -3.286 320 HA3 GLY 42 HA1 GLY 42 18.852 14.723 -2.755 321 H ALA 43 HN ALA 43 19.117 17.386 -2.438 322 HA ALA 43 HA ALA 43 20.080 18.970 -4.436 323 HB1 ALA 43 HB1 ALA 43 21.080 18.857 -1.558 324 HB2 ALA 43 HB2 ALA 43 21.263 20.228 -2.666 325 HB3 ALA 43 HB3 ALA 43 19.647 19.730 -2.142 326 H ASP 44 HN ASP 44 21.853 16.306 -2.957 327 HA ASP 44 HA ASP 44 24.447 17.218 -3.886 328 HB2 ASP 44 HB2 ASP 44 23.669 15.590 -1.852 329 HB3 ASP 44 HB3 ASP 44 24.169 14.387 -3.037 330 H ARG 45 HN ARG 45 21.994 16.107 -5.670 331 HA ARG 45 HA ARG 45 21.570 14.877 -7.453 332 HB2 ARG 45 HB2 ARG 45 24.449 15.405 -8.216 333 HB3 ARG 45 HB3 ARG 45 23.309 14.542 -9.232 334 HG2 ARG 45 HG2 ARG 45 23.027 16.598 -10.134 335 HG3 ARG 45 HG3 ARG 45 21.755 16.641 -8.924 336 HD2 ARG 45 HD2 ARG 45 22.921 18.715 -8.923 337 HD3 ARG 45 HD3 ARG 45 23.337 17.903 -7.405 338 HE ARG 45 HE ARG 45 25.352 17.109 -9.056 339 HH11 ARG 45 HH11 ARG 45 24.002 20.356 -8.490 340 HH12 ARG 45 HH12 ARG 45 25.408 21.198 -8.944 341 HH21 ARG 45 HH21 ARG 45 27.303 18.172 -9.440 342 HH22 ARG 45 HH22 ARG 45 27.430 19.898 -9.345 343 H LYS 46 HN LYS 46 21.252 13.338 -5.726 344 HA LYS 46 HA LYS 46 22.153 10.754 -6.693 345 HB2 LYS 46 HB2 LYS 46 23.682 11.271 -4.710 346 HB3 LYS 46 HB3 LYS 46 22.274 11.663 -3.761 347 HG2 LYS 46 HG2 LYS 46 21.836 9.023 -4.752 348 HG3 LYS 46 HG3 LYS 46 23.516 9.077 -4.250 349 HD2 LYS 46 HD2 LYS 46 22.929 9.739 -2.001 350 HD3 LYS 46 HD3 LYS 46 21.255 10.080 -2.477 351 HE2 LYS 46 HE2 LYS 46 21.318 7.988 -1.248 352 HE3 LYS 46 HE3 LYS 46 20.831 7.716 -2.931 353 HZ1 LYS 46 HZ1 LYS 46 22.385 6.089 -2.610 354 HZ2 LYS 46 HZ2 LYS 46 23.300 6.959 -1.576 355 HZ3 LYS 46 HZ3 LYS 46 23.403 7.247 -3.168 356 H LEU 47 HN LEU 47 20.415 9.355 -6.641 357 HA LEU 47 HA LEU 47 17.835 10.529 -6.316 358 HB2 LEU 47 HB2 LEU 47 18.887 7.877 -7.095 359 HB3 LEU 47 HB3 LEU 47 17.664 7.717 -5.960 360 HG LEU 47 HG LEU 47 17.411 8.967 -8.678 361 HD11 LEU 47 HD11 LEU 47 17.208 6.484 -8.404 362 HD12 LEU 47 HD12 LEU 47 15.736 7.279 -9.010 363 HD13 LEU 47 HD13 LEU 47 15.838 6.789 -7.304 364 HD21 LEU 47 HD21 LEU 47 14.946 9.262 -8.026 365 HD22 LEU 47 HD22 LEU 47 16.114 10.450 -7.437 366 HD23 LEU 47 HD23 LEU 47 15.540 9.175 -6.345 367 H ARG 48 HN ARG 48 16.512 10.659 -4.549 368 HA ARG 48 HA ARG 48 17.383 9.380 -2.022 369 HB2 ARG 48 HB2 ARG 48 17.320 12.181 -2.585 370 HB3 ARG 48 HB3 ARG 48 15.897 11.883 -1.602 371 HG2 ARG 48 HG2 ARG 48 18.715 11.013 -0.898 372 HG3 ARG 48 HG3 ARG 48 17.951 12.498 -0.329 373 HD2 ARG 48 HD2 ARG 48 16.251 11.233 0.900 374 HD3 ARG 48 HD3 ARG 48 16.913 9.700 0.300 375 HE ARG 48 HE ARG 48 19.035 11.095 1.477 376 HH11 ARG 48 HH11 ARG 48 15.952 9.694 2.700 377 HH12 ARG 48 HH12 ARG 48 16.560 9.547 4.306 378 HH21 ARG 48 HH21 ARG 48 19.888 10.440 3.494 379 HH22 ARG 48 HH22 ARG 48 18.898 9.866 4.755 380 H TYR 49 HN TYR 49 15.878 7.952 -1.436 381 HA TYR 49 HA TYR 49 13.262 7.789 -2.557 382 HB2 TYR 49 HB2 TYR 49 14.171 6.846 0.191 383 HB3 TYR 49 HB3 TYR 49 12.758 6.277 -0.695 384 HD1 TYR 49 HD1 TYR 49 13.838 5.864 -3.433 385 HD2 TYR 49 HD2 TYR 49 15.572 4.965 0.392 386 HE1 TYR 49 HE1 TYR 49 15.357 4.268 -4.528 387 HE2 TYR 49 HE2 TYR 49 17.006 3.240 -0.665 388 HH TYR 49 HH TYR 49 16.717 2.355 -4.088 389 H SER 50 HN SER 50 11.234 8.270 -1.647 390 HA SER 50 HA SER 50 11.103 10.776 -0.102 391 HB2 SER 50 HB2 SER 50 8.996 8.969 -1.359 392 HB3 SER 50 HB3 SER 50 8.721 10.604 -0.722 393 HG SER 50 HG SER 50 9.445 9.916 -3.143 394 HA PRO 51 HA PRO 51 10.478 8.603 3.697 395 HB2 PRO 51 HB2 PRO 51 8.763 10.191 5.110 396 HB3 PRO 51 HB3 PRO 51 10.421 10.719 4.667 397 HG2 PRO 51 HG2 PRO 51 7.822 11.338 3.221 398 HG3 PRO 51 HG3 PRO 51 9.109 12.488 3.702 399 HD2 PRO 51 HD2 PRO 51 8.959 11.468 1.219 400 HD3 PRO 51 HD3 PRO 51 10.540 11.779 2.002 401 H TYR 52 HN TYR 52 7.711 9.188 1.622 402 HA TYR 52 HA TYR 52 5.767 7.977 3.295 403 HB2 TYR 52 HB2 TYR 52 5.650 8.572 0.316 404 HB3 TYR 52 HB3 TYR 52 4.275 8.331 1.374 405 HD1 TYR 52 HD1 TYR 52 4.854 10.034 3.743 406 HD2 TYR 52 HD2 TYR 52 5.546 10.778 -0.456 407 HE1 TYR 52 HE1 TYR 52 4.777 12.447 4.161 408 HE2 TYR 52 HE2 TYR 52 5.444 13.203 -0.051 409 HH TYR 52 HH TYR 52 5.161 14.890 1.531 410 H LEU 53 HN LEU 53 8.210 6.285 2.030 411 HA LEU 53 HA LEU 53 6.587 3.949 1.202 412 HB2 LEU 53 HB2 LEU 53 8.040 5.912 -0.471 413 HB3 LEU 53 HB3 LEU 53 8.563 4.246 -0.776 414 HG LEU 53 HG LEU 53 5.633 5.083 -0.760 415 HD11 LEU 53 HD11 LEU 53 7.491 4.860 -3.152 416 HD12 LEU 53 HD12 LEU 53 6.788 6.359 -2.497 417 HD13 LEU 53 HD13 LEU 53 5.737 5.130 -3.210 418 HD21 LEU 53 HD21 LEU 53 5.321 2.987 -2.025 419 HD22 LEU 53 HD22 LEU 53 6.095 2.655 -0.472 420 HD23 LEU 53 HD23 LEU 53 7.073 2.683 -1.961 421 H LYS 54 HN LYS 54 7.395 2.680 2.918 422 HA LYS 54 HA LYS 54 10.335 2.298 2.954 423 HB2 LYS 54 HB2 LYS 54 8.502 3.197 5.186 424 HB3 LYS 54 HB3 LYS 54 9.929 2.253 5.561 425 HG2 LYS 54 HG2 LYS 54 10.760 4.303 3.698 426 HG3 LYS 54 HG3 LYS 54 9.756 5.087 4.895 427 HD2 LYS 54 HD2 LYS 54 11.972 3.140 5.646 428 HD3 LYS 54 HD3 LYS 54 12.348 4.805 5.301 429 HE2 LYS 54 HE2 LYS 54 10.285 3.929 7.367 430 HE3 LYS 54 HE3 LYS 54 11.996 4.269 7.735 431 HZ1 LYS 54 HZ1 LYS 54 11.521 6.508 6.666 432 HZ2 LYS 54 HZ2 LYS 54 10.922 6.262 8.186 433 HZ3 LYS 54 HZ3 LYS 54 9.938 6.178 6.878 434 HA PRO 55 HA PRO 55 9.385 -1.981 3.222 435 HB2 PRO 55 HB2 PRO 55 11.706 -2.996 4.259 436 HB3 PRO 55 HB3 PRO 55 11.608 -2.286 2.623 437 HG2 PRO 55 HG2 PRO 55 12.523 -0.893 5.147 438 HG3 PRO 55 HG3 PRO 55 13.373 -0.992 3.571 439 HD2 PRO 55 HD2 PRO 55 11.835 1.146 4.190 440 HD3 PRO 55 HD3 PRO 55 11.788 0.467 2.531 441 H ARG 56 HN ARG 56 9.248 -3.829 4.811 442 HA ARG 56 HA ARG 56 9.470 -3.182 7.663 443 HB2 ARG 56 HB2 ARG 56 6.873 -3.922 6.286 444 HB3 ARG 56 HB3 ARG 56 7.203 -4.514 7.907 445 HG2 ARG 56 HG2 ARG 56 7.918 -1.985 8.376 446 HG3 ARG 56 HG3 ARG 56 6.857 -1.668 6.989 447 HD2 ARG 56 HD2 ARG 56 5.049 -2.908 8.203 448 HD3 ARG 56 HD3 ARG 56 6.132 -3.149 9.573 449 HE ARG 56 HE ARG 56 4.650 -0.768 8.892 450 HH11 ARG 56 HH11 ARG 56 7.645 -1.761 10.676 451 HH12 ARG 56 HH12 ARG 56 7.772 -0.253 11.464 452 HH21 ARG 56 HH21 ARG 56 4.737 1.015 10.123 453 HH22 ARG 56 HH22 ARG 56 5.917 1.245 11.355 454 H VAL 57 HN VAL 57 8.654 -5.624 8.641 455 HA VAL 57 HA VAL 57 9.285 -7.677 6.731 456 HB VAL 57 HB VAL 57 10.569 -7.704 9.492 457 HG11 VAL 57 HG11 VAL 57 9.633 -9.924 8.844 458 HG12 VAL 57 HG12 VAL 57 10.588 -9.875 7.358 459 HG13 VAL 57 HG13 VAL 57 11.385 -9.935 8.947 460 HG21 VAL 57 HG21 VAL 57 12.013 -6.459 8.030 461 HG22 VAL 57 HG22 VAL 57 12.716 -8.065 8.192 462 HG23 VAL 57 HG23 VAL 57 11.806 -7.635 6.721 463 H ILE 58 HN ILE 58 7.454 -8.964 6.811 464 HA ILE 58 HA ILE 58 5.879 -9.111 9.333 465 HB ILE 58 HB ILE 58 4.775 -8.761 6.511 466 HG12 ILE 58 HG12 ILE 58 5.642 -6.592 7.326 467 HG13 ILE 58 HG13 ILE 58 3.904 -6.620 7.093 468 HG21 ILE 58 HG21 ILE 58 2.551 -8.573 7.700 469 HG22 ILE 58 HG22 ILE 58 3.291 -10.171 7.736 470 HG23 ILE 58 HG23 ILE 58 3.360 -9.137 9.173 471 HD11 ILE 58 HD11 ILE 58 4.532 -5.394 9.117 472 HD12 ILE 58 HD12 ILE 58 3.494 -6.788 9.479 473 HD13 ILE 58 HD13 ILE 58 5.243 -6.870 9.803 474 H GLU 59 HN GLU 59 5.866 -11.296 9.842 475 HA GLU 59 HA GLU 59 6.130 -13.583 9.594 476 HB2 GLU 59 HB2 GLU 59 4.680 -13.138 6.949 477 HB3 GLU 59 HB3 GLU 59 4.793 -14.650 7.855 478 HG2 GLU 59 HG2 GLU 59 3.527 -13.701 9.704 479 HG3 GLU 59 HG3 GLU 59 3.441 -12.124 8.921 480 H GLY 60 HN GLY 60 8.281 -11.815 8.407 481 HA2 GLY 60 HA2 GLY 60 10.390 -12.343 7.537 482 HA3 GLY 60 HA1 GLY 60 9.791 -13.899 6.983 483 H VAL 61 HN VAL 61 7.485 -11.825 5.714 484 HA VAL 61 HA VAL 61 8.714 -11.742 3.082 485 HB VAL 61 HB VAL 61 6.205 -11.924 3.739 486 HG11 VAL 61 HG11 VAL 61 4.917 -10.107 3.995 487 HG12 VAL 61 HG12 VAL 61 6.367 -9.572 4.878 488 HG13 VAL 61 HG13 VAL 61 6.096 -9.010 3.248 489 HG21 VAL 61 HG21 VAL 61 5.518 -11.089 1.584 490 HG22 VAL 61 HG22 VAL 61 7.017 -10.142 1.416 491 HG23 VAL 61 HG23 VAL 61 7.078 -11.921 1.418 492 H ARG 62 HN ARG 62 8.975 -9.569 1.951 493 HA ARG 62 HA ARG 62 10.448 -7.657 3.641 494 HB2 ARG 62 HB2 ARG 62 9.542 -7.550 0.734 495 HB3 ARG 62 HB3 ARG 62 10.539 -6.335 1.503 496 HG2 ARG 62 HG2 ARG 62 11.509 -9.198 1.587 497 HG3 ARG 62 HG3 ARG 62 11.590 -8.301 0.077 498 HD2 ARG 62 HD2 ARG 62 13.655 -8.043 0.987 499 HD3 ARG 62 HD3 ARG 62 12.849 -6.489 1.222 500 HE ARG 62 HE ARG 62 12.356 -8.039 3.548 501 HH11 ARG 62 HH11 ARG 62 15.182 -6.433 2.067 502 HH12 ARG 62 HH12 ARG 62 16.213 -6.807 3.384 503 HH21 ARG 62 HH21 ARG 62 13.601 -8.196 5.368 504 HH22 ARG 62 HH22 ARG 62 15.297 -7.783 5.359 505 H CYS 63 HN CYS 63 7.402 -7.416 1.742 506 HA CYS 63 HA CYS 63 5.584 -6.085 1.953 507 HB2 CYS 63 HB2 CYS 63 6.411 -6.183 4.849 508 HB3 CYS 63 HB3 CYS 63 5.336 -4.876 4.334 509 HG CYS 63 HG CYS 63 3.816 -6.566 5.356 510 H LEU 64 HN LEU 64 4.947 -3.849 1.963 511 HA LEU 64 HA LEU 64 7.110 -1.828 2.206 512 HB2 LEU 64 HB2 LEU 64 7.104 -2.535 -0.122 513 HB3 LEU 64 HB3 LEU 64 5.350 -2.405 -0.198 514 HG LEU 64 HG LEU 64 5.465 0.038 0.085 515 HD11 LEU 64 HD11 LEU 64 8.476 -0.460 0.232 516 HD12 LEU 64 HD12 LEU 64 7.425 0.322 1.422 517 HD13 LEU 64 HD13 LEU 64 7.731 1.148 -0.074 518 HD21 LEU 64 HD21 LEU 64 5.434 -0.927 -2.139 519 HD22 LEU 64 HD22 LEU 64 7.205 -1.111 -2.135 520 HD23 LEU 64 HD23 LEU 64 6.451 0.501 -2.132 521 H ALA 65 HN ALA 65 6.317 -0.409 3.652 522 HA ALA 65 HA ALA 65 3.452 0.028 4.075 523 HB1 ALA 65 HB1 ALA 65 5.026 -0.039 6.003 524 HB2 ALA 65 HB2 ALA 65 5.937 1.323 5.285 525 HB3 ALA 65 HB3 ALA 65 4.266 1.553 5.824 526 H VAL 66 HN VAL 66 2.403 1.901 3.413 527 HA VAL 66 HA VAL 66 3.884 3.859 1.737 528 HB VAL 66 HB VAL 66 1.258 2.734 0.884 529 HG11 VAL 66 HG11 VAL 66 2.005 3.760 -1.223 530 HG12 VAL 66 HG12 VAL 66 1.805 4.963 0.051 531 HG13 VAL 66 HG13 VAL 66 3.432 4.424 -0.416 532 HG21 VAL 66 HG21 VAL 66 2.639 1.491 -0.803 533 HG22 VAL 66 HG22 VAL 66 4.086 1.915 0.122 534 HG23 VAL 66 HG23 VAL 66 2.826 0.865 0.817 535 H ASP 67 HN ASP 67 3.663 5.708 2.935 536 HA ASP 67 HA ASP 67 1.645 6.245 4.953 537 HB2 ASP 67 HB2 ASP 67 4.000 7.146 4.973 538 HB3 ASP 67 HB3 ASP 67 3.590 8.115 3.568 539 H LEU 68 HN LEU 68 -0.266 7.279 4.753 540 HA LEU 68 HA LEU 68 -1.362 7.566 2.094 541 HB2 LEU 68 HB2 LEU 68 -2.419 7.439 4.809 542 HB3 LEU 68 HB3 LEU 68 -3.287 8.545 3.772 543 HG LEU 68 HG LEU 68 -2.527 5.749 2.815 544 HD11 LEU 68 HD11 LEU 68 -3.766 5.358 4.857 545 HD12 LEU 68 HD12 LEU 68 -4.761 4.949 3.465 546 HD13 LEU 68 HD13 LEU 68 -5.055 6.468 4.329 547 HD21 LEU 68 HD21 LEU 68 -4.451 6.046 1.297 548 HD22 LEU 68 HD22 LEU 68 -3.287 7.357 1.077 549 HD23 LEU 68 HD23 LEU 68 -4.775 7.645 2.002 550 H LYS 69 HN LYS 69 0.393 9.705 3.991 551 HA LYS 69 HA LYS 69 -0.768 12.213 3.182 552 HB2 LYS 69 HB2 LYS 69 1.097 11.709 4.923 553 HB3 LYS 69 HB3 LYS 69 2.219 11.781 3.569 554 HG2 LYS 69 HG2 LYS 69 0.219 13.946 4.351 555 HG3 LYS 69 HG3 LYS 69 1.812 13.837 5.080 556 HD2 LYS 69 HD2 LYS 69 2.738 15.033 3.495 557 HD3 LYS 69 HD3 LYS 69 2.260 13.863 2.272 558 HE2 LYS 69 HE2 LYS 69 1.455 16.078 1.742 559 HE3 LYS 69 HE3 LYS 69 0.088 15.002 1.990 560 HZ1 LYS 69 HZ1 LYS 69 -0.096 17.237 3.057 561 HZ2 LYS 69 HZ2 LYS 69 1.089 16.786 4.126 562 HZ3 LYS 69 HZ3 LYS 69 -0.366 15.994 4.045 563 H LEU 70 HN LEU 70 1.266 9.871 1.407 564 HA LEU 70 HA LEU 70 2.007 11.693 -0.669 565 HB2 LEU 70 HB2 LEU 70 3.181 9.658 -0.501 566 HB3 LEU 70 HB3 LEU 70 1.729 8.699 -0.649 567 HG LEU 70 HG LEU 70 1.459 9.650 -3.043 568 HD11 LEU 70 HD11 LEU 70 2.952 11.592 -2.902 569 HD12 LEU 70 HD12 LEU 70 3.588 10.443 -4.092 570 HD13 LEU 70 HD13 LEU 70 4.326 10.547 -2.485 571 HD21 LEU 70 HD21 LEU 70 2.100 7.442 -2.760 572 HD22 LEU 70 HD22 LEU 70 3.727 7.847 -2.166 573 HD23 LEU 70 HD23 LEU 70 3.321 8.088 -3.861 574 H LYS 71 HN LYS 71 -1.024 9.831 -0.147 575 HA LYS 71 HA LYS 71 -2.157 10.315 -2.736 576 HB2 LYS 71 HB2 LYS 71 -2.963 8.610 -1.105 577 HB3 LYS 71 HB3 LYS 71 -3.406 9.883 0.016 578 HG2 LYS 71 HG2 LYS 71 -5.371 9.039 -0.840 579 HG3 LYS 71 HG3 LYS 71 -5.199 10.643 -1.523 580 HD2 LYS 71 HD2 LYS 71 -4.802 9.803 -3.694 581 HD3 LYS 71 HD3 LYS 71 -4.255 8.247 -3.121 582 HE2 LYS 71 HE2 LYS 71 -6.528 8.229 -4.236 583 HE3 LYS 71 HE3 LYS 71 -6.482 7.520 -2.615 584 HZ1 LYS 71 HZ1 LYS 71 -7.508 9.460 -1.705 585 HZ2 LYS 71 HZ2 LYS 71 -8.414 8.998 -2.954 586 HZ3 LYS 71 HZ3 LYS 71 -7.425 10.294 -3.098 587 H ASP 72 HN ASP 72 -2.029 12.353 0.110 588 HA ASP 72 HA ASP 72 -3.981 14.315 -0.647 589 HB2 ASP 72 HB2 ASP 72 -3.251 14.084 1.611 590 HB3 ASP 72 HB3 ASP 72 -1.579 14.242 1.179 591 H THR 73 HN THR 73 -0.476 14.063 -1.049 592 HA THR 73 HA THR 73 -0.379 16.559 -2.542 593 HB THR 73 HB THR 73 1.224 16.151 -0.852 594 HG1 THR 73 HG1 THR 73 1.800 17.237 -2.999 595 HG21 THR 73 HG21 THR 73 2.388 13.906 -2.530 596 HG22 THR 73 HG22 THR 73 1.513 13.729 -0.996 597 HG23 THR 73 HG23 THR 73 3.057 14.571 -1.019 598 H ASN 74 HN ASN 74 0.130 13.100 -3.413 599 HA ASN 74 HA ASN 74 -0.174 13.795 -6.272 600 HB2 ASN 74 HB2 ASN 74 2.276 13.584 -5.743 601 HB3 ASN 74 HB3 ASN 74 2.000 11.916 -5.271 602 HD21 ASN 74 HD21 ASN 74 2.145 10.387 -6.996 603 HD22 ASN 74 HD22 ASN 74 2.103 10.802 -8.690 604 HA PRO 75 HA PRO 75 -2.920 10.402 -4.724 605 HB2 PRO 75 HB2 PRO 75 -5.120 11.035 -6.315 606 HB3 PRO 75 HB3 PRO 75 -4.801 11.777 -4.725 607 HG2 PRO 75 HG2 PRO 75 -4.045 12.865 -7.440 608 HG3 PRO 75 HG3 PRO 75 -4.895 13.692 -6.104 609 HD2 PRO 75 HD2 PRO 75 -2.239 13.998 -6.438 610 HD3 PRO 75 HD3 PRO 75 -2.872 13.767 -4.800 611 H GLU 76 HN GLU 76 -2.440 11.502 -8.092 612 HA GLU 76 HA GLU 76 -3.489 9.329 -9.482 613 HB2 GLU 76 HB2 GLU 76 -2.670 11.630 -10.287 614 HB3 GLU 76 HB3 GLU 76 -1.025 11.068 -10.132 615 HG2 GLU 76 HG2 GLU 76 -1.383 9.341 -11.773 616 HG3 GLU 76 HG3 GLU 76 -3.099 9.701 -11.858 617 H GLY 77 HN GLY 77 -0.247 9.783 -8.203 618 HA2 GLY 77 HA2 GLY 77 0.781 7.275 -9.220 619 HA3 GLY 77 HA1 GLY 77 1.549 8.372 -8.067 620 H PHE 78 HN PHE 78 -0.834 8.235 -6.185 621 HA PHE 78 HA PHE 78 -0.121 5.824 -4.708 622 HB2 PHE 78 HB2 PHE 78 -0.863 7.877 -3.552 623 HB3 PHE 78 HB3 PHE 78 -2.424 7.765 -4.358 624 HD1 PHE 78 HD2 PHE 78 -0.198 6.225 -1.854 625 HD2 PHE 78 HD1 PHE 78 -4.100 6.046 -3.676 626 HE1 PHE 78 HE2 PHE 78 -0.977 4.725 -0.030 627 HE2 PHE 78 HE1 PHE 78 -4.889 4.620 -1.822 628 HZ PHE 78 HZ PHE 78 -3.320 3.955 0.000 629 H ASN 79 HN ASN 79 -2.792 6.960 -6.520 630 HA ASN 79 HA ASN 79 -4.488 4.706 -6.620 631 HB2 ASN 79 HB2 ASN 79 -3.933 6.937 -8.593 632 HB3 ASN 79 HB3 ASN 79 -5.232 5.835 -8.836 633 HD21 ASN 79 HD21 ASN 79 -5.671 8.592 -8.592 634 HD22 ASN 79 HD22 ASN 79 -6.412 8.956 -7.041 635 H GLN 80 HN GLN 80 -1.763 5.521 -8.924 636 HA GLN 80 HA GLN 80 -1.847 3.084 -10.357 637 HB2 GLN 80 HB2 GLN 80 0.424 4.992 -9.679 638 HB3 GLN 80 HB3 GLN 80 0.632 3.603 -10.718 639 HG2 GLN 80 HG2 GLN 80 -1.686 5.041 -11.638 640 HG3 GLN 80 HG3 GLN 80 -0.369 6.201 -11.389 641 HE21 GLN 80 HE21 GLN 80 1.030 6.444 -13.106 642 HE22 GLN 80 HE22 GLN 80 1.201 5.267 -14.399 643 H LEU 81 HN LEU 81 -0.229 3.833 -7.230 644 HA LEU 81 HA LEU 81 1.326 1.466 -7.085 645 HB2 LEU 81 HB2 LEU 81 1.217 3.681 -5.592 646 HB3 LEU 81 HB3 LEU 81 0.133 2.719 -4.600 647 HG LEU 81 HG LEU 81 2.492 1.179 -5.324 648 HD11 LEU 81 HD11 LEU 81 3.241 3.573 -3.623 649 HD12 LEU 81 HD12 LEU 81 3.662 3.377 -5.342 650 HD13 LEU 81 HD13 LEU 81 4.240 2.241 -4.110 651 HD21 LEU 81 HD21 LEU 81 2.684 0.809 -2.920 652 HD22 LEU 81 HD22 LEU 81 0.993 0.624 -3.459 653 HD23 LEU 81 HD23 LEU 81 1.510 2.094 -2.598 654 H MET 82 HN MET 82 -1.901 2.265 -5.910 655 HA MET 82 HA MET 82 -2.575 -0.146 -4.688 656 HB2 MET 82 HB2 MET 82 -4.520 1.581 -6.290 657 HB3 MET 82 HB3 MET 82 -4.944 0.383 -5.087 658 HG2 MET 82 HG2 MET 82 -3.575 3.040 -4.651 659 HG3 MET 82 HG3 MET 82 -5.162 2.557 -4.111 660 HE1 MET 82 HE1 MET 82 -4.702 -0.338 -2.866 661 HE2 MET 82 HE2 MET 82 -4.380 0.091 -1.174 662 HE3 MET 82 HE3 MET 82 -5.649 0.952 -2.086 663 H HIS 83 HN HIS 83 -3.275 0.789 -8.092 664 HA HIS 83 HA HIS 83 -4.381 -1.691 -8.788 665 HB2 HIS 83 HB2 HIS 83 -4.396 0.608 -10.004 666 HB3 HIS 83 HB3 HIS 83 -2.926 0.060 -10.788 667 HD1 HIS 83 HD1 HIS 83 -4.646 0.386 -12.996 668 HD2 HIS 83 HD2 HIS 83 -5.419 -2.811 -10.340 669 HE1 HIS 83 HE1 HIS 83 -6.235 -1.205 -14.196 670 H PHE 84 HN PHE 84 -1.010 -0.572 -8.944 671 HA PHE 84 HA PHE 84 0.162 -2.671 -10.416 672 HB2 PHE 84 HB2 PHE 84 1.496 -0.790 -9.903 673 HB3 PHE 84 HB3 PHE 84 1.127 -0.853 -8.201 674 HD1 PHE 84 HD1 PHE 84 2.214 -2.509 -6.692 675 HD2 PHE 84 HD2 PHE 84 3.291 -2.133 -10.839 676 HE1 PHE 84 HE1 PHE 84 4.424 -3.527 -6.198 677 HE2 PHE 84 HE2 PHE 84 5.549 -3.060 -10.321 678 HZ PHE 84 HZ PHE 84 6.135 -3.730 -8.025 679 H ALA 85 HN ALA 85 -0.540 -2.499 -6.891 680 HA ALA 85 HA ALA 85 0.630 -5.010 -6.231 681 HB1 ALA 85 HB1 ALA 85 -1.686 -3.515 -4.910 682 HB2 ALA 85 HB2 ALA 85 -0.783 -4.861 -4.188 683 HB3 ALA 85 HB3 ALA 85 0.041 -3.322 -4.544 684 H THR 86 HN THR 86 -2.741 -4.115 -6.931 685 HA THR 86 HA THR 86 -3.903 -6.633 -6.764 686 HB THR 86 HB THR 86 -4.821 -4.429 -8.651 687 HG1 THR 86 HG1 THR 86 -4.386 -3.312 -6.778 688 HG21 THR 86 HG21 THR 86 -6.312 -6.319 -6.766 689 HG22 THR 86 HG22 THR 86 -6.186 -6.514 -8.531 690 HG23 THR 86 HG23 THR 86 -7.036 -5.114 -7.855 691 H GLU 87 HN GLU 87 -2.444 -5.027 -9.672 692 HA GLU 87 HA GLU 87 -3.220 -7.000 -11.547 693 HB2 GLU 87 HB2 GLU 87 -1.094 -4.837 -11.367 694 HB3 GLU 87 HB3 GLU 87 -0.972 -6.001 -12.664 695 HG2 GLU 87 HG2 GLU 87 -3.401 -4.245 -12.148 696 HG3 GLU 87 HG3 GLU 87 -2.163 -3.953 -13.356 697 H ASN 88 HN ASN 88 -0.456 -6.783 -9.395 698 HA ASN 88 HA ASN 88 0.783 -9.244 -10.501 699 HB2 ASN 88 HB2 ASN 88 1.748 -7.193 -8.477 700 HB3 ASN 88 HB3 ASN 88 2.619 -8.668 -8.902 701 HD21 ASN 88 HD21 ASN 88 1.604 -5.504 -10.077 702 HD22 ASN 88 HD22 ASN 88 2.217 -5.712 -11.720 703 H GLN 89 HN GLN 89 -1.782 -8.792 -8.656 704 HA GLN 89 HA GLN 89 -2.928 -9.895 -7.133 705 HB2 GLN 89 HB2 GLN 89 -1.150 -12.278 -7.694 706 HB3 GLN 89 HB3 GLN 89 -2.779 -12.256 -7.060 707 HG2 GLN 89 HG2 GLN 89 -3.496 -12.650 -9.137 708 HG3 GLN 89 HG3 GLN 89 -3.135 -10.968 -9.501 709 HE21 GLN 89 HE21 GLN 89 -1.592 -10.633 -11.153 710 HE22 GLN 89 HE22 GLN 89 -0.500 -11.861 -11.726 711 H LEU 90 HN LEU 90 -0.666 -8.395 -6.148 712 HA LEU 90 HA LEU 90 0.502 -9.857 -3.897 713 HB2 LEU 90 HB2 LEU 90 0.337 -6.891 -4.551 714 HB3 LEU 90 HB3 LEU 90 1.188 -7.554 -3.162 715 HG LEU 90 HG LEU 90 1.866 -8.089 -6.089 716 HD11 LEU 90 HD11 LEU 90 2.460 -5.808 -5.292 717 HD12 LEU 90 HD12 LEU 90 3.871 -6.797 -5.682 718 HD13 LEU 90 HD13 LEU 90 3.411 -6.534 -3.981 719 HD21 LEU 90 HD21 LEU 90 3.961 -9.107 -5.097 720 HD22 LEU 90 HD22 LEU 90 2.490 -10.064 -4.875 721 HD23 LEU 90 HD23 LEU 90 3.137 -9.105 -3.518 722 H ASN 91 HN ASN 91 -0.134 -9.680 -1.754 723 HA ASN 91 HA ASN 91 -2.983 -9.150 -1.362 724 HB2 ASN 91 HB2 ASN 91 -1.432 -10.932 -0.162 725 HB3 ASN 91 HB3 ASN 91 -1.084 -9.618 0.942 726 HD21 ASN 91 HD21 ASN 91 -2.513 -12.009 1.588 727 HD22 ASN 91 HD22 ASN 91 -4.253 -11.718 1.716 728 H ILE 92 HN ILE 92 -3.796 -7.205 -0.869 729 HA ILE 92 HA ILE 92 -2.058 -4.967 -0.062 730 HB ILE 92 HB ILE 92 -5.067 -5.123 -0.640 731 HG12 ILE 92 HG12 ILE 92 -2.758 -4.100 -2.334 732 HG13 ILE 92 HG13 ILE 92 -3.717 -5.538 -2.656 733 HG21 ILE 92 HG21 ILE 92 -3.512 -2.530 -0.483 734 HG22 ILE 92 HG22 ILE 92 -5.260 -2.798 -0.379 735 HG23 ILE 92 HG23 ILE 92 -4.205 -3.228 0.973 736 HD11 ILE 92 HD11 ILE 92 -5.735 -4.215 -3.018 737 HD12 ILE 92 HD12 ILE 92 -4.834 -2.712 -2.718 738 HD13 ILE 92 HD13 ILE 92 -4.426 -3.724 -4.106 739 H LEU 93 HN LEU 93 -1.491 -5.249 2.076 740 HA LEU 93 HA LEU 93 -3.616 -5.995 3.992 741 HB2 LEU 93 HB2 LEU 93 -0.607 -5.914 4.101 742 HB3 LEU 93 HB3 LEU 93 -1.532 -5.689 5.561 743 HG LEU 93 HG LEU 93 -2.540 -7.917 5.390 744 HD11 LEU 93 HD11 LEU 93 -1.284 -8.107 2.686 745 HD12 LEU 93 HD12 LEU 93 -2.988 -8.197 3.119 746 HD13 LEU 93 HD13 LEU 93 -1.916 -9.498 3.627 747 HD21 LEU 93 HD21 LEU 93 -0.533 -9.291 5.556 748 HD22 LEU 93 HD22 LEU 93 -0.217 -7.725 6.310 749 HD23 LEU 93 HD23 LEU 93 0.422 -8.055 4.692 750 H ASP 94 HN ASP 94 -3.801 -4.595 5.888 751 HA ASP 94 HA ASP 94 -3.616 -1.711 5.217 752 HB2 ASP 94 HB2 ASP 94 -5.226 -1.312 6.790 753 HB3 ASP 94 HB3 ASP 94 -5.762 -2.859 6.161 754 H ALA 95 HN ALA 95 -3.455 -0.680 7.707 755 HA ALA 95 HA ALA 95 -0.652 -0.630 8.262 756 HB1 ALA 95 HB1 ALA 95 -3.007 0.305 9.982 757 HB2 ALA 95 HB2 ALA 95 -1.303 0.748 10.242 758 HB3 ALA 95 HB3 ALA 95 -2.143 1.302 8.786 759 H GLU 96 HN GLU 96 -3.352 -2.496 9.722 760 HA GLU 96 HA GLU 96 -1.704 -3.474 11.926 761 HB2 GLU 96 HB2 GLU 96 -4.409 -4.364 10.806 762 HB3 GLU 96 HB3 GLU 96 -3.625 -5.013 12.266 763 HG2 GLU 96 HG2 GLU 96 -3.563 -2.661 13.210 764 HG3 GLU 96 HG3 GLU 96 -4.525 -2.113 11.805 765 H GLY 97 HN GLY 97 -2.595 -4.577 8.654 766 HA2 GLY 97 HA2 GLY 97 -1.173 -6.258 7.511 767 HA3 GLY 97 HA1 GLY 97 -0.892 -7.039 9.060 768 H ASN 98 HN ASN 98 -4.099 -5.799 8.321 769 HA ASN 98 HA ASN 98 -5.210 -8.530 7.986 770 HB2 ASN 98 HB2 ASN 98 -6.588 -5.824 7.947 771 HB3 ASN 98 HB3 ASN 98 -7.355 -7.403 8.015 772 HD21 ASN 98 HD21 ASN 98 -7.088 -4.892 9.888 773 HD22 ASN 98 HD22 ASN 98 -6.793 -5.559 11.444 774 H SER 99 HN SER 99 -5.658 -9.257 5.971 775 HA SER 99 HA SER 99 -5.014 -7.807 3.571 776 HB2 SER 99 HB2 SER 99 -6.120 -9.806 2.480 777 HB3 SER 99 HB3 SER 99 -4.728 -10.139 3.520 778 HG SER 99 HG SER 99 -6.080 -10.894 5.121 779 H ILE 100 HN ILE 100 -6.148 -6.330 2.543 780 HA ILE 100 HA ILE 100 -9.096 -6.141 2.834 781 HB ILE 100 HB ILE 100 -8.826 -3.672 2.881 782 HG12 ILE 100 HG12 ILE 100 -5.898 -4.080 3.593 783 HG13 ILE 100 HG13 ILE 100 -6.413 -3.740 1.942 784 HG21 ILE 100 HG21 ILE 100 -9.247 -4.993 4.926 785 HG22 ILE 100 HG22 ILE 100 -7.498 -5.027 5.244 786 HG23 ILE 100 HG23 ILE 100 -8.376 -3.489 5.236 787 HD11 ILE 100 HD11 ILE 100 -5.735 -1.680 3.036 788 HD12 ILE 100 HD12 ILE 100 -7.470 -1.635 2.657 789 HD13 ILE 100 HD13 ILE 100 -6.931 -1.918 4.326 790 H ASP 101 HN ASP 101 -9.359 -3.930 1.108 791 HA ASP 101 HA ASP 101 -8.432 -4.934 -1.530 792 HB2 ASP 101 HB2 ASP 101 -11.175 -4.053 -0.625 793 HB3 ASP 101 HB3 ASP 101 -10.692 -3.767 -2.256 794 H ALA 102 HN ALA 102 -8.372 -3.225 -3.052 795 HA ALA 102 HA ALA 102 -7.172 -0.779 -2.062 796 HB1 ALA 102 HB1 ALA 102 -8.203 -1.480 -4.851 797 HB2 ALA 102 HB2 ALA 102 -7.202 -0.077 -4.448 798 HB3 ALA 102 HB3 ALA 102 -6.548 -1.710 -4.258 799 H ALA 103 HN ALA 103 -10.427 -1.698 -2.992 800 HA ALA 103 HA ALA 103 -11.647 0.883 -3.138 801 HB1 ALA 103 HB1 ALA 103 -12.735 -1.846 -2.364 802 HB2 ALA 103 HB2 ALA 103 -13.721 -0.434 -2.791 803 HB3 ALA 103 HB3 ALA 103 -12.665 -1.179 -4.010 804 H GLN 104 HN GLN 104 -10.445 -0.925 -0.364 805 HA GLN 104 HA GLN 104 -12.122 0.623 1.531 806 HB2 GLN 104 HB2 GLN 104 -10.176 -1.688 1.899 807 HB3 GLN 104 HB3 GLN 104 -10.951 -0.791 3.217 808 HG2 GLN 104 HG2 GLN 104 -13.200 -1.351 2.051 809 HG3 GLN 104 HG3 GLN 104 -12.270 -2.529 1.104 810 HE21 GLN 104 HE21 GLN 104 -12.710 -4.570 1.993 811 HE22 GLN 104 HE22 GLN 104 -12.692 -4.897 3.722 812 H VAL 105 HN VAL 105 -9.667 1.433 -0.319 813 HA VAL 105 HA VAL 105 -8.337 3.099 1.755 814 HB VAL 105 HB VAL 105 -7.042 2.072 -0.786 815 HG11 VAL 105 HG11 VAL 105 -6.030 4.080 0.232 816 HG12 VAL 105 HG12 VAL 105 -5.848 3.208 1.767 817 HG13 VAL 105 HG13 VAL 105 -4.973 2.666 0.317 818 HG21 VAL 105 HG21 VAL 105 -5.773 0.438 0.617 819 HG22 VAL 105 HG22 VAL 105 -6.841 0.811 1.978 820 HG23 VAL 105 HG23 VAL 105 -7.480 0.049 0.503 821 H THR 106 HN THR 106 -9.406 2.839 -1.688 822 HA THR 106 HA THR 106 -8.427 5.485 -2.254 823 HB THR 106 HB THR 106 -9.674 4.957 -4.511 824 HG1 THR 106 HG1 THR 106 -9.405 2.353 -3.397 825 HG21 THR 106 HG21 THR 106 -7.262 3.379 -3.546 826 HG22 THR 106 HG22 THR 106 -7.246 4.995 -4.280 827 HG23 THR 106 HG23 THR 106 -7.738 3.613 -5.245 828 H GLU 107 HN GLU 107 -11.247 4.746 -0.606 829 HA GLU 107 HA GLU 107 -12.718 7.065 -1.771 830 HB2 GLU 107 HB2 GLU 107 -13.950 4.546 -0.606 831 HB3 GLU 107 HB3 GLU 107 -14.730 5.848 -1.473 832 HG2 GLU 107 HG2 GLU 107 -13.082 5.205 -3.418 833 HG3 GLU 107 HG3 GLU 107 -13.134 3.679 -2.519 834 H ILE 108 HN ILE 108 -10.816 6.704 0.622 835 HA ILE 108 HA ILE 108 -12.381 7.409 2.951 836 HB ILE 108 HB ILE 108 -9.474 7.951 2.311 837 HG12 ILE 108 HG12 ILE 108 -9.702 5.603 2.347 838 HG13 ILE 108 HG13 ILE 108 -9.147 6.061 3.947 839 HG21 ILE 108 HG21 ILE 108 -10.735 7.885 5.082 840 HG22 ILE 108 HG22 ILE 108 -9.117 8.405 4.590 841 HG23 ILE 108 HG23 ILE 108 -10.487 9.400 4.179 842 HD11 ILE 108 HD11 ILE 108 -11.939 5.159 3.200 843 HD12 ILE 108 HD12 ILE 108 -10.706 4.239 4.048 844 HD13 ILE 108 HD13 ILE 108 -11.432 5.659 4.825 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -13.860 -0.858 13.806 2 HA2 GLY 1 HA2 GLY 1 -15.008 -2.747 15.773 3 HA3 GLY 1 HA1 GLY 1 -13.904 -1.422 16.156 4 H MET 2 HN MET 2 -17.042 -2.271 16.370 5 HA MET 2 HA MET 2 -19.069 -1.340 16.304 6 HB2 MET 2 HB2 MET 2 -19.461 0.523 17.668 7 HB3 MET 2 HB3 MET 2 -18.252 -0.486 18.426 8 HG2 MET 2 HG2 MET 2 -17.425 1.951 16.820 9 HG3 MET 2 HG3 MET 2 -18.104 2.131 18.425 10 HE1 MET 2 HE1 MET 2 -15.291 3.256 17.528 11 HE2 MET 2 HE2 MET 2 -15.956 3.499 19.156 12 HE3 MET 2 HE3 MET 2 -14.303 2.883 18.956 13 H GLY 3 HN GLY 3 -18.098 -1.271 13.800 14 HA2 GLY 3 HA2 GLY 3 -18.296 1.448 12.684 15 HA3 GLY 3 HA1 GLY 3 -17.800 -0.037 11.852 16 H THR 4 HN THR 4 -19.248 0.472 10.164 17 HA THR 4 HA THR 4 -21.932 -0.551 10.731 18 HB THR 4 HB THR 4 -22.100 1.872 10.771 19 HG1 THR 4 HG1 THR 4 -23.785 0.450 9.940 20 HG21 THR 4 HG21 THR 4 -21.877 3.237 8.769 21 HG22 THR 4 HG22 THR 4 -21.335 1.851 7.820 22 HG23 THR 4 HG23 THR 4 -20.333 2.481 9.145 23 H THR 5 HN THR 5 -19.652 0.231 8.259 24 HA THR 5 HA THR 5 -20.358 -2.287 6.788 25 HB THR 5 HB THR 5 -19.970 0.334 5.398 26 HG1 THR 5 HG1 THR 5 -22.478 -0.747 5.528 27 HG21 THR 5 HG21 THR 5 -21.329 -0.854 3.609 28 HG22 THR 5 HG22 THR 5 -21.177 -2.336 4.572 29 HG23 THR 5 HG23 THR 5 -19.738 -1.565 3.881 30 H GLU 6 HN GLU 6 -18.215 -2.223 8.458 31 HA GLU 6 HA GLU 6 -15.929 -2.274 8.673 32 HB2 GLU 6 HB2 GLU 6 -16.702 -3.899 6.304 33 HB3 GLU 6 HB3 GLU 6 -14.988 -3.561 6.503 34 HG2 GLU 6 HG2 GLU 6 -16.215 -4.422 9.052 35 HG3 GLU 6 HG3 GLU 6 -16.390 -5.595 7.747 36 H LYS 7 HN LYS 7 -15.822 -0.029 8.645 37 HA LYS 7 HA LYS 7 -13.822 0.828 6.650 38 HB2 LYS 7 HB2 LYS 7 -15.875 2.709 7.910 39 HB3 LYS 7 HB3 LYS 7 -14.543 3.170 6.861 40 HG2 LYS 7 HG2 LYS 7 -15.563 1.592 5.093 41 HG3 LYS 7 HG3 LYS 7 -16.977 1.517 6.142 42 HD2 LYS 7 HD2 LYS 7 -17.592 3.143 4.698 43 HD3 LYS 7 HD3 LYS 7 -16.937 4.146 5.995 44 HE2 LYS 7 HE2 LYS 7 -14.849 4.489 4.744 45 HE3 LYS 7 HE3 LYS 7 -15.303 3.234 3.576 46 HZ1 LYS 7 HZ1 LYS 7 -15.687 5.408 2.636 47 HZ2 LYS 7 HZ2 LYS 7 -16.686 5.834 3.838 48 HZ3 LYS 7 HZ3 LYS 7 -17.112 4.623 2.832 49 H SER 8 HN SER 8 -12.457 2.565 7.688 50 HA SER 8 HA SER 8 -12.282 2.554 10.580 51 HB2 SER 8 HB2 SER 8 -11.042 0.505 9.798 52 HB3 SER 8 HB3 SER 8 -9.895 1.566 8.975 53 HG SER 8 HG SER 8 -9.525 0.759 11.242 54 H GLY 9 HN GLY 9 -9.610 3.730 10.380 55 HA2 GLY 9 HA2 GLY 9 -9.970 6.070 8.604 56 HA3 GLY 9 HA1 GLY 9 -9.755 6.384 10.337 57 H ILE 10 HN ILE 10 -8.312 3.776 8.338 58 HA ILE 10 HA ILE 10 -5.688 4.086 9.481 59 HB ILE 10 HB ILE 10 -6.763 2.549 7.093 60 HG12 ILE 10 HG12 ILE 10 -6.096 1.358 9.804 61 HG13 ILE 10 HG13 ILE 10 -7.672 2.052 9.528 62 HG21 ILE 10 HG21 ILE 10 -4.101 2.295 8.550 63 HG22 ILE 10 HG22 ILE 10 -4.733 1.072 7.432 64 HG23 ILE 10 HG23 ILE 10 -4.392 2.692 6.829 65 HD11 ILE 10 HD11 ILE 10 -7.816 -0.304 9.109 66 HD12 ILE 10 HD12 ILE 10 -8.050 0.568 7.589 67 HD13 ILE 10 HD13 ILE 10 -6.506 -0.239 7.921 68 H LYS 11 HN LYS 11 -3.858 4.937 8.598 69 HA LYS 11 HA LYS 11 -4.139 6.599 6.159 70 HB2 LYS 11 HB2 LYS 11 -2.414 7.380 8.511 71 HB3 LYS 11 HB3 LYS 11 -2.915 8.348 7.141 72 HG2 LYS 11 HG2 LYS 11 -4.324 9.213 8.634 73 HG3 LYS 11 HG3 LYS 11 -5.384 7.905 8.118 74 HD2 LYS 11 HD2 LYS 11 -4.670 6.577 10.099 75 HD3 LYS 11 HD3 LYS 11 -3.498 7.812 10.543 76 HE2 LYS 11 HE2 LYS 11 -6.479 8.347 10.317 77 HE3 LYS 11 HE3 LYS 11 -5.727 7.800 11.808 78 HZ1 LYS 11 HZ1 LYS 11 -4.933 10.262 10.397 79 HZ2 LYS 11 HZ2 LYS 11 -4.438 9.795 11.893 80 HZ3 LYS 11 HZ3 LYS 11 -6.004 10.216 11.637 81 H GLU 12 HN GLU 12 -2.838 3.877 6.677 82 HA GLU 12 HA GLU 12 -0.712 4.413 4.791 83 HB2 GLU 12 HB2 GLU 12 0.608 4.705 6.826 84 HB3 GLU 12 HB3 GLU 12 0.062 3.146 7.472 85 HG2 GLU 12 HG2 GLU 12 1.355 1.909 5.909 86 HG3 GLU 12 HG3 GLU 12 1.495 3.265 4.802 87 H ILE 13 HN ILE 13 -0.171 2.551 3.563 88 HA ILE 13 HA ILE 13 -1.518 0.047 4.263 89 HB ILE 13 HB ILE 13 -2.179 -0.364 1.952 90 HG12 ILE 13 HG12 ILE 13 -2.223 2.165 0.724 91 HG13 ILE 13 HG13 ILE 13 -0.638 2.109 1.421 92 HG21 ILE 13 HG21 ILE 13 -3.410 2.227 2.952 93 HG22 ILE 13 HG22 ILE 13 -4.140 0.963 1.938 94 HG23 ILE 13 HG23 ILE 13 -3.737 0.604 3.614 95 HD11 ILE 13 HD11 ILE 13 -0.651 1.242 -0.877 96 HD12 ILE 13 HD12 ILE 13 -0.163 -0.019 0.272 97 HD13 ILE 13 HD13 ILE 13 -1.813 -0.013 -0.400 98 H ILE 14 HN ILE 14 -0.564 -1.730 2.945 99 HA ILE 14 HA ILE 14 2.339 -1.526 2.474 100 HB ILE 14 HB ILE 14 0.960 -3.189 4.632 101 HG12 ILE 14 HG12 ILE 14 2.948 -0.901 4.949 102 HG13 ILE 14 HG13 ILE 14 1.213 -0.751 5.239 103 HG21 ILE 14 HG21 ILE 14 3.881 -2.990 3.866 104 HG22 ILE 14 HG22 ILE 14 3.219 -3.960 5.205 105 HG23 ILE 14 HG23 ILE 14 2.820 -4.377 3.545 106 HD11 ILE 14 HD11 ILE 14 2.341 -0.895 7.282 107 HD12 ILE 14 HD12 ILE 14 1.248 -2.260 7.055 108 HD13 ILE 14 HD13 ILE 14 3.012 -2.496 6.875 109 H ILE 15 HN ILE 15 2.150 -2.186 0.412 110 HA ILE 15 HA ILE 15 0.389 -4.374 -0.428 111 HB ILE 15 HB ILE 15 2.741 -3.058 -1.842 112 HG12 ILE 15 HG12 ILE 15 1.254 -1.275 -1.460 113 HG13 ILE 15 HG13 ILE 15 1.126 -1.760 -3.130 114 HG21 ILE 15 HG21 ILE 15 0.458 -4.818 -2.852 115 HG22 ILE 15 HG22 ILE 15 1.598 -3.953 -3.908 116 HG23 ILE 15 HG23 ILE 15 2.182 -5.218 -2.839 117 HD11 ILE 15 HD11 ILE 15 -1.005 -2.988 -2.572 118 HD12 ILE 15 HD12 ILE 15 -0.897 -2.285 -0.953 119 HD13 ILE 15 HD13 ILE 15 -1.042 -1.228 -2.384 120 H GLN 16 HN GLN 16 0.873 -6.467 0.184 121 HA GLN 16 HA GLN 16 3.441 -7.190 1.140 122 HB2 GLN 16 HB2 GLN 16 1.083 -8.254 1.544 123 HB3 GLN 16 HB3 GLN 16 1.464 -9.201 0.092 124 HG2 GLN 16 HG2 GLN 16 3.524 -10.020 1.318 125 HG3 GLN 16 HG3 GLN 16 3.020 -9.046 2.712 126 HE21 GLN 16 HE21 GLN 16 2.322 -10.515 4.252 127 HE22 GLN 16 HE22 GLN 16 1.106 -11.713 3.947 128 H GLY 17 HN GLY 17 4.870 -8.875 0.179 129 HA2 GLY 17 HA2 GLY 17 4.942 -8.726 -2.825 130 HA3 GLY 17 HA1 GLY 17 6.360 -8.927 -1.819 131 H LEU 18 HN LEU 18 3.364 -10.649 -1.047 132 HA LEU 18 HA LEU 18 4.326 -13.209 -2.145 133 HB2 LEU 18 HB2 LEU 18 3.314 -12.398 0.481 134 HB3 LEU 18 HB3 LEU 18 2.098 -13.355 -0.347 135 HG LEU 18 HG LEU 18 3.869 -15.171 -0.674 136 HD11 LEU 18 HD11 LEU 18 5.844 -15.055 0.789 137 HD12 LEU 18 HD12 LEU 18 5.346 -13.472 1.407 138 HD13 LEU 18 HD13 LEU 18 5.874 -13.641 -0.284 139 HD21 LEU 18 HD21 LEU 18 2.120 -15.182 1.046 140 HD22 LEU 18 HD22 LEU 18 3.078 -14.108 2.078 141 HD23 LEU 18 HD23 LEU 18 3.623 -15.779 1.760 142 H THR 19 HN THR 19 2.817 -14.008 -3.664 143 HA THR 19 HA THR 19 0.594 -12.247 -4.391 144 HB THR 19 HB THR 19 0.099 -13.606 -6.132 145 HG1 THR 19 HG1 THR 19 0.405 -15.589 -6.344 146 HG21 THR 19 HG21 THR 19 2.353 -12.441 -6.395 147 HG22 THR 19 HG22 THR 19 2.152 -13.876 -7.418 148 HG23 THR 19 HG23 THR 19 3.136 -13.959 -5.936 149 H ARG 20 HN ARG 20 -1.587 -13.044 -4.275 150 HA ARG 20 HA ARG 20 -2.595 -14.064 -1.963 151 HB2 ARG 20 HB2 ARG 20 -4.598 -14.584 -3.225 152 HB3 ARG 20 HB3 ARG 20 -3.929 -12.985 -3.593 153 HG2 ARG 20 HG2 ARG 20 -2.847 -14.042 -5.664 154 HG3 ARG 20 HG3 ARG 20 -3.742 -15.529 -5.287 155 HD2 ARG 20 HD2 ARG 20 -5.854 -14.288 -5.397 156 HD3 ARG 20 HD3 ARG 20 -4.948 -12.781 -5.626 157 HE ARG 20 HE ARG 20 -4.183 -13.606 -7.787 158 HH11 ARG 20 HH11 ARG 20 -7.199 -15.121 -6.699 159 HH12 ARG 20 HH12 ARG 20 -7.281 -16.193 -8.073 160 HH21 ARG 20 HH21 ARG 20 -4.314 -14.902 -9.547 161 HH22 ARG 20 HH22 ARG 20 -5.610 -15.985 -9.815 162 H ALA 21 HN ALA 21 -0.948 -15.902 -4.339 163 HA ALA 21 HA ALA 21 -2.124 -18.506 -3.715 164 HB1 ALA 21 HB1 ALA 21 -1.176 -17.848 -5.991 165 HB2 ALA 21 HB2 ALA 21 0.437 -17.895 -5.260 166 HB3 ALA 21 HB3 ALA 21 -0.548 -19.373 -5.328 167 H GLY 22 HN GLY 22 -0.011 -16.512 -1.983 168 HA2 GLY 22 HA2 GLY 22 1.237 -16.979 -0.152 169 HA3 GLY 22 HA1 GLY 22 0.963 -18.710 -0.360 170 H LYS 23 HN LYS 23 2.222 -17.135 -3.216 171 HA LYS 23 HA LYS 23 4.899 -18.309 -2.615 172 HB2 LYS 23 HB2 LYS 23 3.541 -17.674 -5.278 173 HB3 LYS 23 HB3 LYS 23 5.293 -17.807 -5.128 174 HG2 LYS 23 HG2 LYS 23 4.826 -19.900 -5.812 175 HG3 LYS 23 HG3 LYS 23 4.861 -20.152 -4.068 176 HD2 LYS 23 HD2 LYS 23 2.406 -20.172 -3.999 177 HD3 LYS 23 HD3 LYS 23 2.335 -19.733 -5.729 178 HE2 LYS 23 HE2 LYS 23 3.595 -21.810 -6.293 179 HE3 LYS 23 HE3 LYS 23 3.568 -22.272 -4.588 180 HZ1 LYS 23 HZ1 LYS 23 1.166 -21.899 -6.256 181 HZ2 LYS 23 HZ2 LYS 23 1.218 -22.434 -4.677 182 HZ3 LYS 23 HZ3 LYS 23 1.832 -23.354 -5.867 183 HA PRO 24 HA PRO 24 6.259 -14.031 -2.463 184 HB2 PRO 24 HB2 PRO 24 8.946 -14.332 -2.732 185 HB3 PRO 24 HB3 PRO 24 8.062 -14.850 -1.257 186 HG2 PRO 24 HG2 PRO 24 8.939 -16.562 -3.601 187 HG3 PRO 24 HG3 PRO 24 9.129 -16.897 -1.855 188 HD2 PRO 24 HD2 PRO 24 7.085 -17.929 -3.357 189 HD3 PRO 24 HD3 PRO 24 6.870 -17.522 -1.631 190 H PHE 25 HN PHE 25 6.772 -12.377 -3.951 191 HA PHE 25 HA PHE 25 6.704 -13.165 -6.785 192 HB2 PHE 25 HB2 PHE 25 4.995 -11.645 -5.849 193 HB3 PHE 25 HB3 PHE 25 6.252 -10.584 -5.217 194 HD1 PHE 25 HD1 PHE 25 5.544 -12.203 -8.573 195 HD2 PHE 25 HD2 PHE 25 6.370 -8.552 -6.377 196 HE1 PHE 25 HE1 PHE 25 5.580 -10.928 -10.673 197 HE2 PHE 25 HE2 PHE 25 6.346 -7.297 -8.503 198 HZ PHE 25 HZ PHE 25 5.959 -8.453 -10.642 199 H ARG 26 HN ARG 26 8.206 -12.080 -8.282 200 HA ARG 26 HA ARG 26 10.665 -11.030 -7.035 201 HB2 ARG 26 HB2 ARG 26 10.413 -13.125 -9.195 202 HB3 ARG 26 HB3 ARG 26 11.738 -12.033 -9.261 203 HG2 ARG 26 HG2 ARG 26 12.595 -13.885 -8.187 204 HG3 ARG 26 HG3 ARG 26 12.408 -12.649 -6.948 205 HD2 ARG 26 HD2 ARG 26 10.363 -13.793 -6.121 206 HD3 ARG 26 HD3 ARG 26 10.528 -15.014 -7.411 207 HE ARG 26 HE ARG 26 12.788 -14.509 -5.587 208 HH11 ARG 26 HH11 ARG 26 10.052 -16.662 -6.214 209 HH12 ARG 26 HH12 ARG 26 10.716 -18.003 -5.329 210 HH21 ARG 26 HH21 ARG 26 13.645 -16.196 -4.382 211 HH22 ARG 26 HH22 ARG 26 12.770 -17.652 -4.081 212 HA PRO 27 HA PRO 27 12.723 -10.354 -8.405 213 HB2 PRO 27 HB2 PRO 27 13.819 -7.828 -8.407 214 HB3 PRO 27 HB3 PRO 27 13.710 -8.838 -9.882 215 HG2 PRO 27 HG2 PRO 27 11.826 -6.635 -8.984 216 HG3 PRO 27 HG3 PRO 27 12.537 -6.895 -10.608 217 HD2 PRO 27 HD2 PRO 27 10.018 -7.727 -9.983 218 HD3 PRO 27 HD3 PRO 27 11.066 -8.665 -11.087 219 H SER 28 HN SER 28 13.537 -10.037 -6.178 220 HA SER 28 HA SER 28 11.440 -9.487 -4.298 221 HB2 SER 28 HB2 SER 28 13.809 -9.390 -2.855 222 HB3 SER 28 HB3 SER 28 12.852 -10.845 -3.210 223 HG SER 28 HG SER 28 15.302 -10.551 -3.809 224 H ASP 29 HN ASP 29 14.026 -7.677 -5.670 225 HA ASP 29 HA ASP 29 14.226 -5.396 -4.101 226 HB2 ASP 29 HB2 ASP 29 14.742 -5.747 -7.078 227 HB3 ASP 29 HB3 ASP 29 15.455 -4.527 -6.023 228 H TRP 30 HN TRP 30 11.446 -6.214 -5.916 229 HA TRP 30 HA TRP 30 10.842 -3.922 -7.355 230 HB2 TRP 30 HB2 TRP 30 8.593 -4.594 -7.351 231 HB3 TRP 30 HB3 TRP 30 9.554 -6.050 -7.392 232 HD1 TRP 30 HD1 TRP 30 9.059 -7.848 -5.478 233 HE1 TRP 30 HE1 TRP 30 7.442 -7.998 -3.562 234 HE3 TRP 30 HE3 TRP 30 7.196 -3.038 -5.566 235 HZ2 TRP 30 HZ2 TRP 30 5.320 -6.314 -2.333 236 HZ3 TRP 30 HZ3 TRP 30 5.284 -2.461 -4.102 237 HH2 TRP 30 HH2 TRP 30 4.363 -4.126 -2.538 238 H VAL 31 HN VAL 31 10.702 -4.375 -3.924 239 HA VAL 31 HA VAL 31 9.091 -2.171 -3.142 240 HB VAL 31 HB VAL 31 11.310 -3.741 -1.740 241 HG11 VAL 31 HG11 VAL 31 10.956 -1.694 -0.492 242 HG12 VAL 31 HG12 VAL 31 9.195 -1.963 -0.488 243 HG13 VAL 31 HG13 VAL 31 10.283 -3.064 0.379 244 HG21 VAL 31 HG21 VAL 31 9.179 -4.796 -0.671 245 HG22 VAL 31 HG22 VAL 31 8.327 -4.141 -2.072 246 HG23 VAL 31 HG23 VAL 31 9.655 -5.299 -2.311 247 H ASP 32 HN ASP 32 12.647 -2.473 -3.659 248 HA ASP 32 HA ASP 32 13.132 0.292 -2.791 249 HB2 ASP 32 HB2 ASP 32 14.912 -1.865 -3.986 250 HB3 ASP 32 HB3 ASP 32 15.464 -0.224 -3.709 251 H ARG 33 HN ARG 33 12.499 -1.500 -5.761 252 HA ARG 33 HA ARG 33 13.260 0.643 -7.564 253 HB2 ARG 33 HB2 ARG 33 11.233 -1.592 -7.955 254 HB3 ARG 33 HB3 ARG 33 11.763 -0.476 -9.208 255 HG2 ARG 33 HG2 ARG 33 14.121 -1.651 -7.922 256 HG3 ARG 33 HG3 ARG 33 12.984 -2.921 -8.355 257 HD2 ARG 33 HD2 ARG 33 14.468 -2.631 -10.198 258 HD3 ARG 33 HD3 ARG 33 12.885 -2.031 -10.681 259 HE ARG 33 HE ARG 33 13.862 -0.061 -11.159 260 HH11 ARG 33 HH11 ARG 33 16.184 -1.802 -9.018 261 HH12 ARG 33 HH12 ARG 33 17.442 -0.706 -9.473 262 HH21 ARG 33 HH21 ARG 33 15.592 1.461 -11.457 263 HH22 ARG 33 HH22 ARG 33 17.139 1.016 -10.843 264 H MET 34 HN MET 34 10.134 -0.225 -5.954 265 HA MET 34 HA MET 34 8.664 1.917 -7.066 266 HB2 MET 34 HB2 MET 34 8.268 0.300 -4.520 267 HB3 MET 34 HB3 MET 34 7.222 1.667 -4.962 268 HG2 MET 34 HG2 MET 34 6.977 0.601 -7.241 269 HG3 MET 34 HG3 MET 34 7.646 -0.874 -6.557 270 HE1 MET 34 HE1 MET 34 3.659 -0.809 -7.429 271 HE2 MET 34 HE2 MET 34 4.868 0.314 -8.047 272 HE3 MET 34 HE3 MET 34 5.229 -1.419 -7.995 273 H CYS 35 HN CYS 35 10.490 1.916 -3.886 274 HA CYS 35 HA CYS 35 9.680 4.594 -3.335 275 HB2 CYS 35 HB2 CYS 35 11.510 4.725 -1.762 276 HB3 CYS 35 HB3 CYS 35 10.681 3.166 -1.603 277 HG CYS 35 HG CYS 35 13.362 3.124 -1.274 278 H SER 36 HN SER 36 12.498 3.397 -5.198 279 HA SER 36 HA SER 36 13.645 5.951 -5.691 280 HB2 SER 36 HB2 SER 36 13.734 3.606 -7.545 281 HB3 SER 36 HB3 SER 36 14.901 4.908 -7.413 282 HG SER 36 HG SER 36 14.328 2.889 -5.462 283 H THR 37 HN THR 37 10.767 4.537 -7.057 284 HA THR 37 HA THR 37 10.737 6.027 -9.568 285 HB THR 37 HB THR 37 8.469 4.617 -8.080 286 HG1 THR 37 HG1 THR 37 10.240 3.234 -8.553 287 HG21 THR 37 HG21 THR 37 7.669 6.091 -9.872 288 HG22 THR 37 HG22 THR 37 7.432 4.400 -10.271 289 HG23 THR 37 HG23 THR 37 8.766 5.303 -11.034 290 H TYR 38 HN TYR 38 9.647 6.408 -6.217 291 HA TYR 38 HA TYR 38 8.612 9.134 -6.823 292 HB2 TYR 38 HB2 TYR 38 7.762 7.126 -4.731 293 HB3 TYR 38 HB3 TYR 38 7.187 8.779 -4.824 294 HD1 TYR 38 HD1 TYR 38 5.982 9.558 -6.971 295 HD2 TYR 38 HD2 TYR 38 6.718 5.390 -6.068 296 HE1 TYR 38 HE1 TYR 38 4.229 8.877 -8.606 297 HE2 TYR 38 HE2 TYR 38 5.005 4.727 -7.735 298 HH TYR 38 HH TYR 38 4.057 5.919 -9.944 299 H ALA 39 HN ALA 39 11.086 9.126 -6.818 300 HA ALA 39 HA ALA 39 11.890 10.354 -4.238 301 HB1 ALA 39 HB1 ALA 39 14.052 9.255 -4.376 302 HB2 ALA 39 HB2 ALA 39 12.813 8.015 -4.510 303 HB3 ALA 39 HB3 ALA 39 13.654 8.553 -5.966 304 H SER 40 HN SER 40 13.920 11.723 -4.650 305 HA SER 40 HA SER 40 14.742 12.482 -7.291 306 HB2 SER 40 HB2 SER 40 12.979 14.356 -5.679 307 HB3 SER 40 HB3 SER 40 14.331 15.012 -6.618 308 HG SER 40 HG SER 40 11.984 14.369 -7.558 309 H PHE 41 HN PHE 41 16.508 14.233 -7.008 310 HA PHE 41 HA PHE 41 18.310 13.124 -5.053 311 HB2 PHE 41 HB2 PHE 41 18.368 15.040 -7.337 312 HB3 PHE 41 HB3 PHE 41 19.612 15.269 -6.101 313 HD1 PHE 41 HD1 PHE 41 18.312 11.854 -6.982 314 HD2 PHE 41 HD2 PHE 41 21.447 14.751 -7.587 315 HE1 PHE 41 HE1 PHE 41 19.678 10.133 -7.997 316 HE2 PHE 41 HE2 PHE 41 22.789 13.017 -8.733 317 HZ PHE 41 HZ PHE 41 21.892 10.721 -9.024 318 H GLY 42 HN GLY 42 19.315 14.103 -3.404 319 HA2 GLY 42 HA2 GLY 42 18.204 16.623 -2.254 320 HA3 GLY 42 HA1 GLY 42 19.089 15.385 -1.344 321 H ALA 43 HN ALA 43 20.279 17.652 -0.980 322 HA ALA 43 HA ALA 43 21.776 18.837 -3.070 323 HB1 ALA 43 HB1 ALA 43 22.930 20.005 -1.223 324 HB2 ALA 43 HB2 ALA 43 21.168 19.982 -0.994 325 HB3 ALA 43 HB3 ALA 43 22.202 18.883 -0.058 326 H ASP 44 HN ASP 44 22.543 16.030 -1.086 327 HA ASP 44 HA ASP 44 25.395 16.030 -1.579 328 HB2 ASP 44 HB2 ASP 44 23.756 14.755 0.197 329 HB3 ASP 44 HB3 ASP 44 24.027 13.455 -0.942 330 H ARG 45 HN ARG 45 23.016 15.735 -3.812 331 HA ARG 45 HA ARG 45 22.677 14.718 -5.782 332 HB2 ARG 45 HB2 ARG 45 25.705 14.741 -5.770 333 HB3 ARG 45 HB3 ARG 45 24.820 14.018 -7.095 334 HG2 ARG 45 HG2 ARG 45 25.411 16.246 -7.690 335 HG3 ARG 45 HG3 ARG 45 23.655 16.102 -7.578 336 HD2 ARG 45 HD2 ARG 45 23.659 17.252 -5.421 337 HD3 ARG 45 HD3 ARG 45 25.439 17.281 -5.399 338 HE ARG 45 HE ARG 45 24.467 18.536 -7.782 339 HH11 ARG 45 HH11 ARG 45 24.598 19.158 -4.275 340 HH12 ARG 45 HH12 ARG 45 24.454 20.874 -4.440 341 HH21 ARG 45 HH21 ARG 45 24.214 20.741 -7.997 342 HH22 ARG 45 HH22 ARG 45 24.385 21.815 -6.662 343 H LYS 46 HN LYS 46 22.583 13.101 -3.364 344 HA LYS 46 HA LYS 46 22.429 10.490 -4.831 345 HB2 LYS 46 HB2 LYS 46 22.762 11.085 -1.869 346 HB3 LYS 46 HB3 LYS 46 21.759 9.728 -2.385 347 HG2 LYS 46 HG2 LYS 46 23.783 8.728 -2.066 348 HG3 LYS 46 HG3 LYS 46 23.704 8.937 -3.817 349 HD2 LYS 46 HD2 LYS 46 25.241 10.900 -3.640 350 HD3 LYS 46 HD3 LYS 46 25.293 10.657 -1.871 351 HE2 LYS 46 HE2 LYS 46 25.973 8.244 -2.330 352 HE3 LYS 46 HE3 LYS 46 26.140 8.673 -4.035 353 HZ1 LYS 46 HZ1 LYS 46 27.651 9.962 -1.842 354 HZ2 LYS 46 HZ2 LYS 46 27.932 10.151 -3.447 355 HZ3 LYS 46 HZ3 LYS 46 28.196 8.692 -2.729 356 H LEU 47 HN LEU 47 20.520 9.430 -4.673 357 HA LEU 47 HA LEU 47 18.082 10.976 -4.949 358 HB2 LEU 47 HB2 LEU 47 18.957 8.130 -5.083 359 HB3 LEU 47 HB3 LEU 47 17.409 8.340 -4.336 360 HG LEU 47 HG LEU 47 18.130 9.105 -7.151 361 HD11 LEU 47 HD11 LEU 47 17.779 6.712 -6.711 362 HD12 LEU 47 HD12 LEU 47 16.519 7.404 -7.741 363 HD13 LEU 47 HD13 LEU 47 16.176 7.077 -6.025 364 HD21 LEU 47 HD21 LEU 47 16.586 10.756 -6.744 365 HD22 LEU 47 HD22 LEU 47 15.803 9.867 -5.442 366 HD23 LEU 47 HD23 LEU 47 15.491 9.442 -7.145 367 H ARG 48 HN ARG 48 16.346 11.065 -3.450 368 HA ARG 48 HA ARG 48 16.704 9.901 -0.785 369 HB2 ARG 48 HB2 ARG 48 16.786 12.759 -1.336 370 HB3 ARG 48 HB3 ARG 48 15.286 12.404 -0.489 371 HG2 ARG 48 HG2 ARG 48 18.000 11.413 0.469 372 HG3 ARG 48 HG3 ARG 48 17.311 12.957 0.957 373 HD2 ARG 48 HD2 ARG 48 15.382 11.829 1.983 374 HD3 ARG 48 HD3 ARG 48 15.983 10.257 1.420 375 HE ARG 48 HE ARG 48 17.880 11.774 3.056 376 HH11 ARG 48 HH11 ARG 48 15.152 9.463 3.336 377 HH12 ARG 48 HH12 ARG 48 15.808 8.705 4.736 378 HH21 ARG 48 HH21 ARG 48 18.625 10.868 4.941 379 HH22 ARG 48 HH22 ARG 48 17.860 9.488 5.654 380 H TYR 49 HN TYR 49 15.054 8.559 -0.612 381 HA TYR 49 HA TYR 49 12.782 8.444 -2.327 382 HB2 TYR 49 HB2 TYR 49 13.220 7.344 0.474 383 HB3 TYR 49 HB3 TYR 49 12.069 6.734 -0.695 384 HD1 TYR 49 HD1 TYR 49 13.785 6.644 -3.173 385 HD2 TYR 49 HD2 TYR 49 14.614 5.486 0.888 386 HE1 TYR 49 HE1 TYR 49 15.499 5.086 -3.977 387 HE2 TYR 49 HE2 TYR 49 16.275 3.844 0.102 388 HH TYR 49 HH TYR 49 17.063 2.719 -1.805 389 H SER 50 HN SER 50 10.715 9.336 -2.084 390 HA SER 50 HA SER 50 10.173 11.388 -0.232 391 HB2 SER 50 HB2 SER 50 8.281 9.407 -1.565 392 HB3 SER 50 HB3 SER 50 7.773 10.882 -0.715 393 HG SER 50 HG SER 50 8.031 11.010 -3.041 394 HA PRO 51 HA PRO 51 10.081 9.287 3.555 395 HB2 PRO 51 HB2 PRO 51 8.325 10.749 5.093 396 HB3 PRO 51 HB3 PRO 51 9.923 11.353 4.562 397 HG2 PRO 51 HG2 PRO 51 7.226 11.844 3.242 398 HG3 PRO 51 HG3 PRO 51 8.480 13.055 3.676 399 HD2 PRO 51 HD2 PRO 51 8.310 12.092 1.177 400 HD3 PRO 51 HD3 PRO 51 9.911 12.329 1.942 401 H TYR 52 HN TYR 52 6.994 9.624 1.903 402 HA TYR 52 HA TYR 52 5.425 8.090 3.681 403 HB2 TYR 52 HB2 TYR 52 5.029 8.731 0.740 404 HB3 TYR 52 HB3 TYR 52 3.763 8.197 1.824 405 HD1 TYR 52 HD2 TYR 52 4.010 9.787 4.260 406 HD2 TYR 52 HD1 TYR 52 4.615 10.960 0.138 407 HE1 TYR 52 HE2 TYR 52 3.523 12.125 4.854 408 HE2 TYR 52 HE1 TYR 52 4.304 13.331 0.776 409 HH TYR 52 HH TYR 52 3.906 14.815 2.514 410 H LEU 53 HN LEU 53 7.900 6.786 1.942 411 HA LEU 53 HA LEU 53 6.367 4.379 1.111 412 HB2 LEU 53 HB2 LEU 53 7.588 6.517 -0.387 413 HB3 LEU 53 HB3 LEU 53 8.325 4.977 -0.840 414 HG LEU 53 HG LEU 53 5.300 5.316 -0.755 415 HD11 LEU 53 HD11 LEU 53 5.359 5.828 -3.165 416 HD12 LEU 53 HD12 LEU 53 7.137 5.857 -3.107 417 HD13 LEU 53 HD13 LEU 53 6.194 7.094 -2.240 418 HD21 LEU 53 HD21 LEU 53 6.255 3.033 -0.921 419 HD22 LEU 53 HD22 LEU 53 7.196 3.514 -2.350 420 HD23 LEU 53 HD23 LEU 53 5.426 3.483 -2.419 421 H LYS 54 HN LYS 54 7.247 2.852 2.491 422 HA LYS 54 HA LYS 54 10.222 2.702 2.540 423 HB2 LYS 54 HB2 LYS 54 8.415 2.776 4.990 424 HB3 LYS 54 HB3 LYS 54 10.096 2.242 5.011 425 HG2 LYS 54 HG2 LYS 54 10.537 4.569 3.800 426 HG3 LYS 54 HG3 LYS 54 9.009 5.024 4.547 427 HD2 LYS 54 HD2 LYS 54 11.496 3.959 5.974 428 HD3 LYS 54 HD3 LYS 54 11.050 5.652 5.823 429 HE2 LYS 54 HE2 LYS 54 9.901 5.533 7.689 430 HE3 LYS 54 HE3 LYS 54 8.734 4.463 6.909 431 HZ1 LYS 54 HZ1 LYS 54 11.208 3.543 8.288 432 HZ2 LYS 54 HZ2 LYS 54 10.001 2.589 7.715 433 HZ3 LYS 54 HZ3 LYS 54 9.709 3.559 8.972 434 HA PRO 55 HA PRO 55 9.580 -1.704 2.336 435 HB2 PRO 55 HB2 PRO 55 11.959 -2.604 3.333 436 HB3 PRO 55 HB3 PRO 55 11.825 -1.826 1.729 437 HG2 PRO 55 HG2 PRO 55 12.720 -0.574 4.322 438 HG3 PRO 55 HG3 PRO 55 13.466 -0.454 2.689 439 HD2 PRO 55 HD2 PRO 55 11.785 1.459 3.707 440 HD3 PRO 55 HD3 PRO 55 11.838 1.064 1.972 441 H ARG 56 HN ARG 56 9.513 -3.589 3.890 442 HA ARG 56 HA ARG 56 9.760 -2.964 6.747 443 HB2 ARG 56 HB2 ARG 56 7.174 -3.889 5.508 444 HB3 ARG 56 HB3 ARG 56 7.575 -4.281 7.182 445 HG2 ARG 56 HG2 ARG 56 7.870 -1.920 7.755 446 HG3 ARG 56 HG3 ARG 56 7.464 -1.442 6.094 447 HD2 ARG 56 HD2 ARG 56 5.318 -2.557 6.297 448 HD3 ARG 56 HD3 ARG 56 5.644 -2.933 7.999 449 HE ARG 56 HE ARG 56 5.588 -0.111 6.960 450 HH11 ARG 56 HH11 ARG 56 4.249 -2.463 9.307 451 HH12 ARG 56 HH12 ARG 56 3.610 -1.228 10.311 452 HH21 ARG 56 HH21 ARG 56 4.301 1.413 8.148 453 HH22 ARG 56 HH22 ARG 56 4.077 1.083 9.814 454 H VAL 57 HN VAL 57 8.945 -5.449 7.642 455 HA VAL 57 HA VAL 57 9.438 -7.472 5.724 456 HB VAL 57 HB VAL 57 10.872 -7.596 8.424 457 HG11 VAL 57 HG11 VAL 57 9.779 -9.766 8.093 458 HG12 VAL 57 HG12 VAL 57 10.416 -9.857 6.432 459 HG13 VAL 57 HG13 VAL 57 11.511 -9.923 7.831 460 HG21 VAL 57 HG21 VAL 57 11.843 -7.874 5.546 461 HG22 VAL 57 HG22 VAL 57 12.253 -6.570 6.687 462 HG23 VAL 57 HG23 VAL 57 12.845 -8.193 6.981 463 H ILE 58 HN ILE 58 7.756 -8.962 5.961 464 HA ILE 58 HA ILE 58 6.171 -9.050 8.465 465 HB ILE 58 HB ILE 58 5.009 -8.777 5.655 466 HG12 ILE 58 HG12 ILE 58 5.745 -6.569 6.521 467 HG13 ILE 58 HG13 ILE 58 4.016 -6.696 6.262 468 HG21 ILE 58 HG21 ILE 58 2.801 -8.733 6.841 469 HG22 ILE 58 HG22 ILE 58 3.627 -10.288 6.851 470 HG23 ILE 58 HG23 ILE 58 3.649 -9.266 8.299 471 HD11 ILE 58 HD11 ILE 58 4.585 -5.470 8.320 472 HD12 ILE 58 HD12 ILE 58 3.570 -6.888 8.623 473 HD13 ILE 58 HD13 ILE 58 5.310 -6.942 9.001 474 H GLU 59 HN GLU 59 6.397 -11.256 9.039 475 HA GLU 59 HA GLU 59 6.656 -13.458 8.916 476 HB2 GLU 59 HB2 GLU 59 5.355 -13.328 6.199 477 HB3 GLU 59 HB3 GLU 59 5.454 -14.728 7.250 478 HG2 GLU 59 HG2 GLU 59 3.955 -13.777 8.876 479 HG3 GLU 59 HG3 GLU 59 3.973 -12.200 8.107 480 H GLY 60 HN GLY 60 8.378 -11.585 6.920 481 HA2 GLY 60 HA2 GLY 60 10.741 -12.231 6.389 482 HA3 GLY 60 HA1 GLY 60 10.100 -13.757 5.781 483 H VAL 61 HN VAL 61 7.736 -11.695 4.757 484 HA VAL 61 HA VAL 61 8.829 -11.492 2.100 485 HB VAL 61 HB VAL 61 6.354 -11.638 2.949 486 HG11 VAL 61 HG11 VAL 61 5.121 -9.747 3.191 487 HG12 VAL 61 HG12 VAL 61 6.581 -9.394 4.133 488 HG13 VAL 61 HG13 VAL 61 6.395 -8.704 2.522 489 HG21 VAL 61 HG21 VAL 61 6.982 -9.917 0.537 490 HG22 VAL 61 HG22 VAL 61 7.115 -11.693 0.578 491 HG23 VAL 61 HG23 VAL 61 5.545 -10.933 0.849 492 H ARG 62 HN ARG 62 8.966 -9.319 1.010 493 HA ARG 62 HA ARG 62 10.572 -7.413 2.556 494 HB2 ARG 62 HB2 ARG 62 9.582 -7.515 -0.321 495 HB3 ARG 62 HB3 ARG 62 10.503 -6.188 0.339 496 HG2 ARG 62 HG2 ARG 62 12.216 -7.316 -0.523 497 HG3 ARG 62 HG3 ARG 62 12.167 -8.200 1.005 498 HD2 ARG 62 HD2 ARG 62 10.631 -9.129 -1.465 499 HD3 ARG 62 HD3 ARG 62 12.345 -9.485 -1.235 500 HE ARG 62 HE ARG 62 11.516 -10.410 1.064 501 HH11 ARG 62 HH11 ARG 62 10.318 -11.070 -2.224 502 HH12 ARG 62 HH12 ARG 62 10.227 -12.759 -1.933 503 HH21 ARG 62 HH21 ARG 62 10.941 -12.576 1.534 504 HH22 ARG 62 HH22 ARG 62 10.371 -13.595 0.269 505 H CYS 63 HN CYS 63 7.525 -7.022 0.707 506 HA CYS 63 HA CYS 63 5.651 -5.842 0.985 507 HB2 CYS 63 HB2 CYS 63 6.535 -5.838 3.849 508 HB3 CYS 63 HB3 CYS 63 5.347 -4.642 3.285 509 HG CYS 63 HG CYS 63 4.067 -6.356 4.536 510 H LEU 64 HN LEU 64 4.979 -3.625 0.719 511 HA LEU 64 HA LEU 64 7.112 -1.576 1.025 512 HB2 LEU 64 HB2 LEU 64 6.983 -2.529 -1.312 513 HB3 LEU 64 HB3 LEU 64 5.360 -1.927 -1.417 514 HG LEU 64 HG LEU 64 7.692 -0.661 -2.198 515 HD11 LEU 64 HD11 LEU 64 5.044 0.669 -1.621 516 HD12 LEU 64 HD12 LEU 64 5.422 -0.340 -3.032 517 HD13 LEU 64 HD13 LEU 64 6.272 1.189 -2.805 518 HD21 LEU 64 HD21 LEU 64 8.008 1.431 -1.017 519 HD22 LEU 64 HD22 LEU 64 8.343 0.081 0.083 520 HD23 LEU 64 HD23 LEU 64 6.818 0.992 0.191 521 H ALA 65 HN ALA 65 6.353 -0.150 2.363 522 HA ALA 65 HA ALA 65 3.500 0.124 2.995 523 HB1 ALA 65 HB1 ALA 65 5.968 1.496 4.130 524 HB2 ALA 65 HB2 ALA 65 4.318 1.589 4.756 525 HB3 ALA 65 HB3 ALA 65 5.179 0.045 4.799 526 H VAL 66 HN VAL 66 2.244 1.985 2.401 527 HA VAL 66 HA VAL 66 3.551 4.292 1.129 528 HB VAL 66 HB VAL 66 1.093 2.928 0.045 529 HG11 VAL 66 HG11 VAL 66 2.694 5.346 -0.901 530 HG12 VAL 66 HG12 VAL 66 1.292 4.626 -1.723 531 HG13 VAL 66 HG13 VAL 66 1.086 5.425 -0.159 532 HG21 VAL 66 HG21 VAL 66 2.800 1.602 -0.803 533 HG22 VAL 66 HG22 VAL 66 2.930 2.976 -1.947 534 HG23 VAL 66 HG23 VAL 66 4.025 2.863 -0.607 535 H ASP 67 HN ASP 67 3.131 5.845 2.702 536 HA ASP 67 HA ASP 67 0.862 5.861 4.509 537 HB2 ASP 67 HB2 ASP 67 3.113 6.988 4.881 538 HB3 ASP 67 HB3 ASP 67 2.605 8.192 3.690 539 H LEU 68 HN LEU 68 -1.083 6.824 4.244 540 HA LEU 68 HA LEU 68 -2.019 7.317 1.536 541 HB2 LEU 68 HB2 LEU 68 -3.175 7.015 4.266 542 HB3 LEU 68 HB3 LEU 68 -4.074 8.059 3.209 543 HG LEU 68 HG LEU 68 -3.189 5.280 2.327 544 HD11 LEU 68 HD11 LEU 68 -5.761 5.994 3.799 545 HD12 LEU 68 HD12 LEU 68 -4.447 4.961 4.401 546 HD13 LEU 68 HD13 LEU 68 -5.416 4.439 3.021 547 HD21 LEU 68 HD21 LEU 68 -5.500 7.078 1.444 548 HD22 LEU 68 HD22 LEU 68 -5.165 5.455 0.819 549 HD23 LEU 68 HD23 LEU 68 -4.010 6.759 0.533 550 H LYS 69 HN LYS 69 -0.509 9.422 3.830 551 HA LYS 69 HA LYS 69 -1.703 11.911 2.893 552 HB2 LYS 69 HB2 LYS 69 0.126 11.497 4.774 553 HB3 LYS 69 HB3 LYS 69 1.238 11.707 3.429 554 HG2 LYS 69 HG2 LYS 69 -0.976 13.573 4.379 555 HG3 LYS 69 HG3 LYS 69 0.713 13.735 4.853 556 HD2 LYS 69 HD2 LYS 69 1.276 14.115 2.421 557 HD3 LYS 69 HD3 LYS 69 -0.453 14.256 2.112 558 HE2 LYS 69 HE2 LYS 69 0.924 15.950 4.196 559 HE3 LYS 69 HE3 LYS 69 0.840 16.354 2.484 560 HZ1 LYS 69 HZ1 LYS 69 -1.519 15.953 4.227 561 HZ2 LYS 69 HZ2 LYS 69 -1.605 16.354 2.631 562 HZ3 LYS 69 HZ3 LYS 69 -0.962 17.393 3.731 563 H LEU 70 HN LEU 70 0.673 9.620 1.502 564 HA LEU 70 HA LEU 70 1.481 11.287 -0.646 565 HB2 LEU 70 HB2 LEU 70 2.584 9.192 -0.236 566 HB3 LEU 70 HB3 LEU 70 1.110 8.304 -0.569 567 HG LEU 70 HG LEU 70 1.181 9.246 -2.983 568 HD11 LEU 70 HD11 LEU 70 3.946 10.145 -2.009 569 HD12 LEU 70 HD12 LEU 70 2.621 11.206 -2.542 570 HD13 LEU 70 HD13 LEU 70 3.394 10.147 -3.699 571 HD21 LEU 70 HD21 LEU 70 3.387 7.483 -1.838 572 HD22 LEU 70 HD22 LEU 70 3.154 7.728 -3.566 573 HD23 LEU 70 HD23 LEU 70 1.859 7.010 -2.629 574 H LYS 71 HN LYS 71 -1.538 9.366 -0.209 575 HA LYS 71 HA LYS 71 -2.500 9.778 -2.883 576 HB2 LYS 71 HB2 LYS 71 -3.335 8.090 -1.242 577 HB3 LYS 71 HB3 LYS 71 -4.030 9.397 -0.278 578 HG2 LYS 71 HG2 LYS 71 -5.915 8.953 -1.307 579 HG3 LYS 71 HG3 LYS 71 -5.288 9.905 -2.649 580 HD2 LYS 71 HD2 LYS 71 -4.513 7.839 -3.775 581 HD3 LYS 71 HD3 LYS 71 -4.902 6.906 -2.317 582 HE2 LYS 71 HE2 LYS 71 -6.667 6.467 -3.751 583 HE3 LYS 71 HE3 LYS 71 -7.310 7.565 -2.538 584 HZ1 LYS 71 HZ1 LYS 71 -7.201 9.337 -4.177 585 HZ2 LYS 71 HZ2 LYS 71 -8.028 8.063 -4.738 586 HZ3 LYS 71 HZ3 LYS 71 -6.502 8.326 -5.290 587 H ASP 72 HN ASP 72 -2.593 11.813 0.037 588 HA ASP 72 HA ASP 72 -4.512 13.714 -0.971 589 HB2 ASP 72 HB2 ASP 72 -3.868 13.308 1.419 590 HB3 ASP 72 HB3 ASP 72 -2.324 14.049 1.101 591 H THR 73 HN THR 73 -1.051 13.384 -1.213 592 HA THR 73 HA THR 73 -0.835 15.986 -2.678 593 HB THR 73 HB THR 73 0.290 15.641 -0.463 594 HG1 THR 73 HG1 THR 73 0.931 17.261 -1.939 595 HG21 THR 73 HG21 THR 73 1.142 13.340 -0.894 596 HG22 THR 73 HG22 THR 73 2.380 14.464 -0.318 597 HG23 THR 73 HG23 THR 73 2.317 14.010 -2.038 598 H ASN 74 HN ASN 74 -0.852 12.730 -3.467 599 HA ASN 74 HA ASN 74 -0.611 13.336 -6.203 600 HB2 ASN 74 HB2 ASN 74 1.831 13.074 -5.892 601 HB3 ASN 74 HB3 ASN 74 1.582 11.474 -5.185 602 HD21 ASN 74 HD21 ASN 74 2.630 10.302 -6.900 603 HD22 ASN 74 HD22 ASN 74 2.155 10.437 -8.600 604 HA PRO 75 HA PRO 75 -3.191 9.806 -4.802 605 HB2 PRO 75 HB2 PRO 75 -5.462 10.371 -6.332 606 HB3 PRO 75 HB3 PRO 75 -5.148 11.069 -4.724 607 HG2 PRO 75 HG2 PRO 75 -4.597 12.299 -7.426 608 HG3 PRO 75 HG3 PRO 75 -5.356 13.060 -5.993 609 HD2 PRO 75 HD2 PRO 75 -2.737 13.426 -6.580 610 HD3 PRO 75 HD3 PRO 75 -3.266 13.301 -4.897 611 H GLU 76 HN GLU 76 -2.353 11.020 -7.986 612 HA GLU 76 HA GLU 76 -3.302 8.926 -9.605 613 HB2 GLU 76 HB2 GLU 76 -2.592 11.227 -10.279 614 HB3 GLU 76 HB3 GLU 76 -0.918 10.790 -9.975 615 HG2 GLU 76 HG2 GLU 76 -1.048 9.013 -11.688 616 HG3 GLU 76 HG3 GLU 76 -2.736 9.444 -12.006 617 H GLY 77 HN GLY 77 -0.086 9.525 -8.195 618 HA2 GLY 77 HA2 GLY 77 1.090 7.105 -9.253 619 HA3 GLY 77 HA1 GLY 77 1.797 8.145 -8.015 620 H PHE 78 HN PHE 78 -0.292 7.990 -6.095 621 HA PHE 78 HA PHE 78 0.042 5.500 -4.728 622 HB2 PHE 78 HB2 PHE 78 -0.873 7.585 -3.717 623 HB3 PHE 78 HB3 PHE 78 -2.371 7.348 -4.611 624 HD1 PHE 78 HD1 PHE 78 -3.673 5.099 -4.225 625 HD2 PHE 78 HD2 PHE 78 -0.592 6.570 -1.573 626 HE1 PHE 78 HE1 PHE 78 -4.512 3.642 -2.432 627 HE2 PHE 78 HE2 PHE 78 -1.458 5.093 0.227 628 HZ PHE 78 HZ PHE 78 -3.449 3.635 -0.219 629 H ASN 79 HN ASN 79 -2.593 6.536 -6.882 630 HA ASN 79 HA ASN 79 -4.144 4.204 -7.063 631 HB2 ASN 79 HB2 ASN 79 -5.126 5.954 -8.116 632 HB3 ASN 79 HB3 ASN 79 -3.701 6.665 -8.644 633 HD21 ASN 79 HD21 ASN 79 -2.939 6.290 -10.731 634 HD22 ASN 79 HD22 ASN 79 -3.939 5.523 -11.948 635 H GLN 80 HN GLN 80 -1.495 5.140 -9.227 636 HA GLN 80 HA GLN 80 -1.268 2.780 -10.765 637 HB2 GLN 80 HB2 GLN 80 0.780 4.829 -9.841 638 HB3 GLN 80 HB3 GLN 80 1.215 3.442 -10.821 639 HG2 GLN 80 HG2 GLN 80 -0.292 4.163 -12.618 640 HG3 GLN 80 HG3 GLN 80 -0.826 5.539 -11.649 641 HE21 GLN 80 HE21 GLN 80 0.028 7.272 -12.961 642 HE22 GLN 80 HE22 GLN 80 1.750 7.453 -13.182 643 H LEU 81 HN LEU 81 0.228 3.510 -7.589 644 HA LEU 81 HA LEU 81 1.713 1.157 -7.371 645 HB2 LEU 81 HB2 LEU 81 1.305 3.412 -5.812 646 HB3 LEU 81 HB3 LEU 81 0.478 2.203 -4.845 647 HG LEU 81 HG LEU 81 3.074 1.220 -5.812 648 HD11 LEU 81 HD11 LEU 81 3.197 3.733 -4.153 649 HD12 LEU 81 HD12 LEU 81 3.800 3.473 -5.821 650 HD13 LEU 81 HD13 LEU 81 4.540 2.596 -4.477 651 HD21 LEU 81 HD21 LEU 81 3.387 0.823 -3.348 652 HD22 LEU 81 HD22 LEU 81 1.890 0.142 -4.013 653 HD23 LEU 81 HD23 LEU 81 1.822 1.624 -3.060 654 H MET 82 HN MET 82 -1.630 1.828 -6.382 655 HA MET 82 HA MET 82 -2.164 -0.691 -5.177 656 HB2 MET 82 HB2 MET 82 -4.129 1.160 -6.597 657 HB3 MET 82 HB3 MET 82 -4.557 -0.155 -5.524 658 HG2 MET 82 HG2 MET 82 -3.106 2.392 -4.788 659 HG3 MET 82 HG3 MET 82 -4.737 1.933 -4.343 660 HE1 MET 82 HE1 MET 82 -5.366 0.228 -2.491 661 HE2 MET 82 HE2 MET 82 -4.489 -1.087 -3.316 662 HE3 MET 82 HE3 MET 82 -4.200 -0.763 -1.588 663 H HIS 83 HN HIS 83 -2.413 0.341 -8.635 664 HA HIS 83 HA HIS 83 -3.788 -1.934 -9.544 665 HB2 HIS 83 HB2 HIS 83 -3.509 0.213 -10.727 666 HB3 HIS 83 HB3 HIS 83 -1.819 -0.141 -11.010 667 HD1 HIS 83 HD1 HIS 83 -2.654 0.132 -13.683 668 HD2 HIS 83 HD2 HIS 83 -3.991 -3.185 -11.485 669 HE1 HIS 83 HE1 HIS 83 -3.429 -1.604 -15.395 670 H PHE 84 HN PHE 84 -0.300 -1.276 -9.296 671 HA PHE 84 HA PHE 84 0.804 -3.682 -10.343 672 HB2 PHE 84 HB2 PHE 84 2.136 -1.803 -9.635 673 HB3 PHE 84 HB3 PHE 84 1.666 -1.987 -7.976 674 HD1 PHE 84 HD1 PHE 84 2.381 -4.126 -6.696 675 HD2 PHE 84 HD2 PHE 84 4.132 -2.840 -10.419 676 HE1 PHE 84 HE1 PHE 84 4.451 -5.323 -6.124 677 HE2 PHE 84 HE2 PHE 84 6.232 -4.029 -9.821 678 HZ PHE 84 HZ PHE 84 6.391 -5.257 -7.673 679 H ALA 85 HN ALA 85 -0.710 -3.121 -7.129 680 HA ALA 85 HA ALA 85 -0.080 -5.701 -6.108 681 HB1 ALA 85 HB1 ALA 85 -0.783 -3.685 -4.740 682 HB2 ALA 85 HB2 ALA 85 -2.442 -4.027 -5.249 683 HB3 ALA 85 HB3 ALA 85 -1.551 -5.229 -4.324 684 H THR 86 HN THR 86 -2.982 -4.472 -7.910 685 HA THR 86 HA THR 86 -4.312 -7.004 -7.745 686 HB THR 86 HB THR 86 -4.625 -5.127 -10.106 687 HG1 THR 86 HG1 THR 86 -5.866 -4.566 -7.633 688 HG21 THR 86 HG21 THR 86 -7.004 -5.614 -9.867 689 HG22 THR 86 HG22 THR 86 -6.718 -6.502 -8.365 690 HG23 THR 86 HG23 THR 86 -6.111 -7.127 -9.879 691 H GLU 87 HN GLU 87 -2.084 -5.540 -10.147 692 HA GLU 87 HA GLU 87 -2.268 -7.498 -12.120 693 HB2 GLU 87 HB2 GLU 87 -0.450 -5.277 -11.404 694 HB3 GLU 87 HB3 GLU 87 0.466 -6.612 -12.039 695 HG2 GLU 87 HG2 GLU 87 -1.731 -5.096 -13.443 696 HG3 GLU 87 HG3 GLU 87 -0.014 -5.128 -13.823 697 H ASN 88 HN ASN 88 0.267 -7.470 -9.354 698 HA ASN 88 HA ASN 88 1.037 -10.087 -10.474 699 HB2 ASN 88 HB2 ASN 88 2.284 -7.957 -8.782 700 HB3 ASN 88 HB3 ASN 88 2.930 -9.595 -8.745 701 HD21 ASN 88 HD21 ASN 88 2.715 -6.578 -10.463 702 HD22 ASN 88 HD22 ASN 88 3.211 -7.090 -12.023 703 H GLN 89 HN GLN 89 -1.143 -8.797 -8.337 704 HA GLN 89 HA GLN 89 -2.815 -9.731 -7.254 705 HB2 GLN 89 HB2 GLN 89 -1.497 -12.392 -7.837 706 HB3 GLN 89 HB3 GLN 89 -3.078 -12.181 -7.124 707 HG2 GLN 89 HG2 GLN 89 -4.089 -11.598 -9.063 708 HG3 GLN 89 HG3 GLN 89 -2.720 -10.658 -9.650 709 HE21 GLN 89 HE21 GLN 89 -1.802 -11.368 -11.388 710 HE22 GLN 89 HE22 GLN 89 -1.787 -13.034 -11.959 711 H LEU 90 HN LEU 90 -0.321 -8.712 -5.981 712 HA LEU 90 HA LEU 90 0.346 -10.373 -3.880 713 HB2 LEU 90 HB2 LEU 90 0.466 -7.360 -4.017 714 HB3 LEU 90 HB3 LEU 90 1.444 -8.486 -3.097 715 HG LEU 90 HG LEU 90 2.802 -8.020 -4.834 716 HD11 LEU 90 HD11 LEU 90 1.617 -10.378 -6.092 717 HD12 LEU 90 HD12 LEU 90 2.753 -10.382 -4.738 718 HD13 LEU 90 HD13 LEU 90 3.250 -9.749 -6.311 719 HD21 LEU 90 HD21 LEU 90 1.763 -6.446 -5.800 720 HD22 LEU 90 HD22 LEU 90 0.919 -7.602 -6.900 721 HD23 LEU 90 HD23 LEU 90 2.725 -7.410 -6.852 722 H ASN 91 HN ASN 91 -0.178 -10.332 -1.740 723 HA ASN 91 HA ASN 91 -2.919 -9.879 -1.064 724 HB2 ASN 91 HB2 ASN 91 -1.062 -11.461 -0.038 725 HB3 ASN 91 HB3 ASN 91 -0.688 -10.045 0.961 726 HD21 ASN 91 HD21 ASN 91 -1.507 -12.509 2.022 727 HD22 ASN 91 HD22 ASN 91 -3.066 -12.273 2.778 728 H ILE 92 HN ILE 92 -3.807 -7.799 -0.810 729 HA ILE 92 HA ILE 92 -2.037 -5.546 -0.082 730 HB ILE 92 HB ILE 92 -5.058 -5.609 -0.383 731 HG12 ILE 92 HG12 ILE 92 -2.906 -4.787 -2.407 732 HG13 ILE 92 HG13 ILE 92 -3.929 -6.224 -2.527 733 HG21 ILE 92 HG21 ILE 92 -4.833 -3.140 -0.504 734 HG22 ILE 92 HG22 ILE 92 -4.138 -3.736 0.988 735 HG23 ILE 92 HG23 ILE 92 -3.065 -3.277 -0.345 736 HD11 ILE 92 HD11 ILE 92 -4.852 -3.353 -2.772 737 HD12 ILE 92 HD12 ILE 92 -4.811 -4.604 -4.017 738 HD13 ILE 92 HD13 ILE 92 -5.948 -4.753 -2.658 739 H LEU 93 HN LEU 93 -1.375 -5.717 2.070 740 HA LEU 93 HA LEU 93 -3.241 -6.764 4.089 741 HB2 LEU 93 HB2 LEU 93 -0.513 -5.427 4.339 742 HB3 LEU 93 HB3 LEU 93 -1.471 -6.126 5.659 743 HG LEU 93 HG LEU 93 -0.142 -7.484 3.410 744 HD11 LEU 93 HD11 LEU 93 1.293 -6.951 5.299 745 HD12 LEU 93 HD12 LEU 93 1.132 -8.694 5.069 746 HD13 LEU 93 HD13 LEU 93 0.221 -7.908 6.372 747 HD21 LEU 93 HD21 LEU 93 -2.167 -8.723 3.496 748 HD22 LEU 93 HD22 LEU 93 -2.138 -8.768 5.264 749 HD23 LEU 93 HD23 LEU 93 -0.952 -9.697 4.319 750 H ASP 94 HN ASP 94 -3.340 -5.337 5.963 751 HA ASP 94 HA ASP 94 -3.737 -2.438 5.374 752 HB2 ASP 94 HB2 ASP 94 -5.265 -2.103 7.000 753 HB3 ASP 94 HB3 ASP 94 -5.802 -3.520 6.197 754 H ALA 95 HN ALA 95 -3.468 -1.291 7.647 755 HA ALA 95 HA ALA 95 -0.601 -1.144 7.792 756 HB1 ALA 95 HB1 ALA 95 -1.940 0.846 8.117 757 HB2 ALA 95 HB2 ALA 95 -2.690 0.144 9.570 758 HB3 ALA 95 HB3 ALA 95 -0.958 0.555 9.570 759 H GLU 96 HN GLU 96 -2.950 -2.876 9.794 760 HA GLU 96 HA GLU 96 -1.114 -3.460 11.972 761 HB2 GLU 96 HB2 GLU 96 -3.789 -4.608 11.211 762 HB3 GLU 96 HB3 GLU 96 -2.898 -5.025 12.677 763 HG2 GLU 96 HG2 GLU 96 -3.940 -2.319 11.862 764 HG3 GLU 96 HG3 GLU 96 -4.629 -3.329 13.130 765 H GLY 97 HN GLY 97 -2.398 -4.905 9.041 766 HA2 GLY 97 HA2 GLY 97 -0.874 -6.173 7.623 767 HA3 GLY 97 HA1 GLY 97 -0.353 -7.128 8.980 768 H ASN 98 HN ASN 98 -3.729 -6.188 8.838 769 HA ASN 98 HA ASN 98 -4.626 -8.946 8.468 770 HB2 ASN 98 HB2 ASN 98 -6.320 -6.431 8.252 771 HB3 ASN 98 HB3 ASN 98 -6.830 -8.063 8.644 772 HD21 ASN 98 HD21 ASN 98 -6.153 -5.059 10.019 773 HD22 ASN 98 HD22 ASN 98 -6.060 -5.622 11.685 774 H SER 99 HN SER 99 -5.432 -9.806 6.422 775 HA SER 99 HA SER 99 -4.613 -8.380 3.984 776 HB2 SER 99 HB2 SER 99 -5.746 -10.392 2.934 777 HB3 SER 99 HB3 SER 99 -4.354 -10.711 3.978 778 HG SER 99 HG SER 99 -7.005 -10.694 4.977 779 H ILE 100 HN ILE 100 -5.860 -7.030 2.752 780 HA ILE 100 HA ILE 100 -8.778 -7.030 3.171 781 HB ILE 100 HB ILE 100 -8.698 -4.529 3.086 782 HG12 ILE 100 HG12 ILE 100 -5.737 -4.713 3.716 783 HG13 ILE 100 HG13 ILE 100 -6.296 -4.490 2.071 784 HG21 ILE 100 HG21 ILE 100 -8.132 -4.232 5.417 785 HG22 ILE 100 HG22 ILE 100 -8.855 -5.836 5.253 786 HG23 ILE 100 HG23 ILE 100 -7.102 -5.667 5.427 787 HD11 ILE 100 HD11 ILE 100 -5.711 -2.351 3.035 788 HD12 ILE 100 HD12 ILE 100 -7.450 -2.412 2.673 789 HD13 ILE 100 HD13 ILE 100 -6.881 -2.585 4.353 790 H ASP 101 HN ASP 101 -9.883 -5.666 1.521 791 HA ASP 101 HA ASP 101 -8.846 -6.180 -1.208 792 HB2 ASP 101 HB2 ASP 101 -11.518 -5.655 -0.001 793 HB3 ASP 101 HB3 ASP 101 -11.237 -4.787 -1.468 794 H ALA 102 HN ALA 102 -9.158 -4.396 -2.704 795 HA ALA 102 HA ALA 102 -7.579 -2.078 -1.827 796 HB1 ALA 102 HB1 ALA 102 -7.657 -1.377 -4.152 797 HB2 ALA 102 HB2 ALA 102 -7.280 -3.107 -4.069 798 HB3 ALA 102 HB3 ALA 102 -8.919 -2.571 -4.523 799 H ALA 103 HN ALA 103 -11.033 -2.698 -2.429 800 HA ALA 103 HA ALA 103 -11.946 -0.039 -2.620 801 HB1 ALA 103 HB1 ALA 103 -14.078 -0.912 -1.691 802 HB2 ALA 103 HB2 ALA 103 -13.434 -1.946 -2.977 803 HB3 ALA 103 HB3 ALA 103 -13.273 -2.436 -1.271 804 H GLN 104 HN GLN 104 -10.932 -1.923 0.220 805 HA GLN 104 HA GLN 104 -11.733 0.079 2.168 806 HB2 GLN 104 HB2 GLN 104 -9.958 -2.390 2.292 807 HB3 GLN 104 HB3 GLN 104 -10.223 -1.333 3.662 808 HG2 GLN 104 HG2 GLN 104 -12.840 -1.786 2.859 809 HG3 GLN 104 HG3 GLN 104 -12.069 -3.313 2.433 810 HE21 GLN 104 HE21 GLN 104 -12.166 -4.771 4.107 811 HE22 GLN 104 HE22 GLN 104 -12.035 -4.392 5.813 812 H VAL 105 HN VAL 105 -9.602 0.552 -0.216 813 HA VAL 105 HA VAL 105 -7.981 2.371 1.461 814 HB VAL 105 HB VAL 105 -6.973 0.936 -1.032 815 HG11 VAL 105 HG11 VAL 105 -5.531 2.572 1.073 816 HG12 VAL 105 HG12 VAL 105 -4.763 1.691 -0.280 817 HG13 VAL 105 HG13 VAL 105 -5.854 3.039 -0.603 818 HG21 VAL 105 HG21 VAL 105 -6.446 0.195 1.871 819 HG22 VAL 105 HG22 VAL 105 -7.208 -0.825 0.620 820 HG23 VAL 105 HG23 VAL 105 -5.501 -0.398 0.482 821 H THR 106 HN THR 106 -9.229 1.797 -1.891 822 HA THR 106 HA THR 106 -8.790 4.662 -2.403 823 HB THR 106 HB THR 106 -9.196 3.691 -4.853 824 HG1 THR 106 HG1 THR 106 -9.491 1.622 -4.697 825 HG21 THR 106 HG21 THR 106 -6.672 3.319 -3.187 826 HG22 THR 106 HG22 THR 106 -7.137 4.733 -4.173 827 HG23 THR 106 HG23 THR 106 -6.728 3.240 -4.961 828 H GLU 107 HN GLU 107 -11.401 3.098 -1.253 829 HA GLU 107 HA GLU 107 -13.251 5.020 -2.570 830 HB2 GLU 107 HB2 GLU 107 -13.737 2.152 -1.705 831 HB3 GLU 107 HB3 GLU 107 -15.021 3.264 -2.135 832 HG2 GLU 107 HG2 GLU 107 -12.818 2.785 -4.157 833 HG3 GLU 107 HG3 GLU 107 -14.024 1.550 -3.855 834 H ILE 108 HN ILE 108 -11.559 5.272 -0.018 835 HA ILE 108 HA ILE 108 -13.250 4.983 2.228 836 HB ILE 108 HB ILE 108 -11.158 7.113 2.105 837 HG12 ILE 108 HG12 ILE 108 -9.940 5.259 1.342 838 HG13 ILE 108 HG13 ILE 108 -9.706 5.345 3.080 839 HG21 ILE 108 HG21 ILE 108 -11.019 6.587 4.538 840 HG22 ILE 108 HG22 ILE 108 -12.682 7.015 4.106 841 HG23 ILE 108 HG23 ILE 108 -12.255 5.326 4.355 842 HD11 ILE 108 HD11 ILE 108 -11.332 3.273 1.599 843 HD12 ILE 108 HD12 ILE 108 -9.871 3.094 2.586 844 HD13 ILE 108 HD13 ILE 108 -11.402 3.490 3.366 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -18.478 -16.666 5.712 2 HA2 GLY 1 HA2 GLY 1 -18.353 -14.425 4.650 3 HA3 GLY 1 HA1 GLY 1 -20.107 -14.331 4.901 4 H MET 2 HN MET 2 -17.647 -12.844 5.963 5 HA MET 2 HA MET 2 -18.668 -12.418 8.627 6 HB2 MET 2 HB2 MET 2 -16.351 -12.488 9.636 7 HB3 MET 2 HB3 MET 2 -17.039 -14.058 9.282 8 HG2 MET 2 HG2 MET 2 -15.087 -12.717 7.382 9 HG3 MET 2 HG3 MET 2 -14.575 -13.643 8.787 10 HE1 MET 2 HE1 MET 2 -13.291 -14.543 6.290 11 HE2 MET 2 HE2 MET 2 -13.201 -15.459 7.804 12 HE3 MET 2 HE3 MET 2 -13.575 -16.297 6.283 13 H GLY 3 HN GLY 3 -17.264 -10.458 9.541 14 HA2 GLY 3 HA2 GLY 3 -17.114 -8.291 7.593 15 HA3 GLY 3 HA1 GLY 3 -16.528 -8.307 9.267 16 H THR 4 HN THR 4 -15.158 -7.482 6.639 17 HA THR 4 HA THR 4 -12.636 -8.959 7.165 18 HB THR 4 HB THR 4 -12.303 -8.603 4.577 19 HG1 THR 4 HG1 THR 4 -14.315 -7.631 4.205 20 HG21 THR 4 HG21 THR 4 -13.057 -10.867 4.148 21 HG22 THR 4 HG22 THR 4 -14.063 -10.853 5.627 22 HG23 THR 4 HG23 THR 4 -12.284 -10.785 5.744 23 H THR 5 HN THR 5 -12.109 -7.199 8.499 24 HA THR 5 HA THR 5 -11.244 -5.230 9.050 25 HB THR 5 HB THR 5 -10.982 -4.449 6.180 26 HG1 THR 5 HG1 THR 5 -9.403 -5.831 5.871 27 HG21 THR 5 HG21 THR 5 -10.232 -2.823 7.879 28 HG22 THR 5 HG22 THR 5 -8.835 -3.484 7.023 29 HG23 THR 5 HG23 THR 5 -9.226 -4.067 8.653 30 H GLU 6 HN GLU 6 -12.857 -4.083 10.108 31 HA GLU 6 HA GLU 6 -15.046 -2.870 8.501 32 HB2 GLU 6 HB2 GLU 6 -16.002 -2.090 10.546 33 HB3 GLU 6 HB3 GLU 6 -15.782 -3.818 10.608 34 HG2 GLU 6 HG2 GLU 6 -13.698 -1.999 11.864 35 HG3 GLU 6 HG3 GLU 6 -15.230 -2.262 12.673 36 H LYS 7 HN LYS 7 -15.459 -0.530 8.893 37 HA LYS 7 HA LYS 7 -13.428 1.154 8.086 38 HB2 LYS 7 HB2 LYS 7 -14.969 2.977 8.839 39 HB3 LYS 7 HB3 LYS 7 -15.766 1.728 7.881 40 HG2 LYS 7 HG2 LYS 7 -16.629 0.670 10.008 41 HG3 LYS 7 HG3 LYS 7 -15.840 1.973 10.922 42 HD2 LYS 7 HD2 LYS 7 -17.256 3.622 9.724 43 HD3 LYS 7 HD3 LYS 7 -18.036 2.312 8.830 44 HE2 LYS 7 HE2 LYS 7 -19.429 3.060 10.712 45 HE3 LYS 7 HE3 LYS 7 -18.932 1.372 10.900 46 HZ1 LYS 7 HZ1 LYS 7 -17.530 3.612 12.236 47 HZ2 LYS 7 HZ2 LYS 7 -17.352 1.975 12.494 48 HZ3 LYS 7 HZ3 LYS 7 -18.747 2.688 12.941 49 H SER 8 HN SER 8 -12.125 2.704 9.047 50 HA SER 8 HA SER 8 -11.692 2.778 11.944 51 HB2 SER 8 HB2 SER 8 -10.342 0.969 10.208 52 HB3 SER 8 HB3 SER 8 -9.218 2.295 10.445 53 HG SER 8 HG SER 8 -10.322 0.450 12.205 54 H GLY 9 HN GLY 9 -9.298 4.176 11.924 55 HA2 GLY 9 HA2 GLY 9 -9.820 6.589 10.245 56 HA3 GLY 9 HA1 GLY 9 -9.076 6.584 11.846 57 H ILE 10 HN ILE 10 -8.274 4.145 9.339 58 HA ILE 10 HA ILE 10 -5.497 4.544 9.764 59 HB ILE 10 HB ILE 10 -7.152 2.955 7.749 60 HG12 ILE 10 HG12 ILE 10 -5.424 2.097 10.122 61 HG13 ILE 10 HG13 ILE 10 -7.135 2.397 10.245 62 HG21 ILE 10 HG21 ILE 10 -4.125 3.135 8.050 63 HG22 ILE 10 HG22 ILE 10 -4.928 1.760 7.278 64 HG23 ILE 10 HG23 ILE 10 -5.109 3.348 6.574 65 HD11 ILE 10 HD11 ILE 10 -5.859 0.198 8.608 66 HD12 ILE 10 HD12 ILE 10 -6.858 0.043 10.058 67 HD13 ILE 10 HD13 ILE 10 -7.589 0.622 8.549 68 H LYS 11 HN LYS 11 -4.066 5.910 8.841 69 HA LYS 11 HA LYS 11 -4.554 6.768 6.062 70 HB2 LYS 11 HB2 LYS 11 -3.021 8.448 8.030 71 HB3 LYS 11 HB3 LYS 11 -3.683 8.876 6.455 72 HG2 LYS 11 HG2 LYS 11 -5.340 9.826 7.549 73 HG3 LYS 11 HG3 LYS 11 -5.994 8.249 7.872 74 HD2 LYS 11 HD2 LYS 11 -4.639 8.208 10.007 75 HD3 LYS 11 HD3 LYS 11 -4.098 9.860 9.629 76 HE2 LYS 11 HE2 LYS 11 -6.464 10.632 9.640 77 HE3 LYS 11 HE3 LYS 11 -6.989 8.979 9.999 78 HZ1 LYS 11 HZ1 LYS 11 -5.721 9.083 12.036 79 HZ2 LYS 11 HZ2 LYS 11 -6.905 10.203 12.006 80 HZ3 LYS 11 HZ3 LYS 11 -5.310 10.663 11.753 81 H GLU 12 HN GLU 12 -3.116 4.303 6.852 82 HA GLU 12 HA GLU 12 -0.896 4.794 5.144 83 HB2 GLU 12 HB2 GLU 12 0.152 5.474 7.306 84 HB3 GLU 12 HB3 GLU 12 -0.240 3.891 7.997 85 HG2 GLU 12 HG2 GLU 12 1.326 2.797 6.512 86 HG3 GLU 12 HG3 GLU 12 1.493 4.245 5.521 87 H ILE 13 HN ILE 13 -0.778 2.994 3.912 88 HA ILE 13 HA ILE 13 -2.155 0.501 4.816 89 HB ILE 13 HB ILE 13 -2.682 0.216 2.353 90 HG12 ILE 13 HG12 ILE 13 -2.321 3.150 1.851 91 HG13 ILE 13 HG13 ILE 13 -0.828 2.221 1.909 92 HG21 ILE 13 HG21 ILE 13 -4.589 1.722 2.379 93 HG22 ILE 13 HG22 ILE 13 -4.354 1.021 3.979 94 HG23 ILE 13 HG23 ILE 13 -3.869 2.697 3.671 95 HD11 ILE 13 HD11 ILE 13 -1.592 0.680 0.217 96 HD12 ILE 13 HD12 ILE 13 -3.177 1.483 0.169 97 HD13 ILE 13 HD13 ILE 13 -1.716 2.351 -0.358 98 H ILE 14 HN ILE 14 -1.322 -1.456 3.317 99 HA ILE 14 HA ILE 14 1.633 -1.194 3.054 100 HB ILE 14 HB ILE 14 0.307 -3.238 4.876 101 HG12 ILE 14 HG12 ILE 14 2.071 -0.812 5.476 102 HG13 ILE 14 HG13 ILE 14 0.390 -1.057 5.965 103 HG21 ILE 14 HG21 ILE 14 2.245 -4.134 3.589 104 HG22 ILE 14 HG22 ILE 14 3.260 -2.793 4.195 105 HG23 ILE 14 HG23 ILE 14 2.592 -4.031 5.301 106 HD11 ILE 14 HD11 ILE 14 1.110 -2.994 7.361 107 HD12 ILE 14 HD12 ILE 14 2.802 -2.543 7.008 108 HD13 ILE 14 HD13 ILE 14 1.751 -1.418 7.870 109 H ILE 15 HN ILE 15 1.885 -1.712 0.967 110 HA ILE 15 HA ILE 15 0.325 -3.722 -0.412 111 HB ILE 15 HB ILE 15 3.115 -2.934 -1.185 112 HG12 ILE 15 HG12 ILE 15 2.205 -0.778 -0.860 113 HG13 ILE 15 HG13 ILE 15 2.416 -1.141 -2.547 114 HG21 ILE 15 HG21 ILE 15 0.655 -3.781 -2.744 115 HG22 ILE 15 HG22 ILE 15 2.214 -3.344 -3.477 116 HG23 ILE 15 HG23 ILE 15 2.083 -4.767 -2.429 117 HD11 ILE 15 HD11 ILE 15 0.049 -1.475 -2.890 118 HD12 ILE 15 HD12 ILE 15 -0.265 -1.251 -1.147 119 HD13 ILE 15 HD13 ILE 15 0.332 0.097 -2.128 120 H GLN 16 HN GLN 16 0.496 -5.920 0.310 121 HA GLN 16 HA GLN 16 2.930 -6.683 1.717 122 HB2 GLN 16 HB2 GLN 16 0.403 -7.611 2.020 123 HB3 GLN 16 HB3 GLN 16 0.969 -8.780 0.837 124 HG2 GLN 16 HG2 GLN 16 3.028 -9.120 2.345 125 HG3 GLN 16 HG3 GLN 16 2.313 -7.935 3.458 126 HE21 GLN 16 HE21 GLN 16 2.334 -9.264 5.251 127 HE22 GLN 16 HE22 GLN 16 1.364 -10.682 5.381 128 H GLY 17 HN GLY 17 4.212 -8.604 0.909 129 HA2 GLY 17 HA2 GLY 17 4.421 -8.624 -2.089 130 HA3 GLY 17 HA1 GLY 17 5.792 -8.841 -1.021 131 H LEU 18 HN LEU 18 2.552 -10.184 -0.461 132 HA LEU 18 HA LEU 18 3.393 -12.908 -1.205 133 HB2 LEU 18 HB2 LEU 18 1.899 -11.829 1.159 134 HB3 LEU 18 HB3 LEU 18 1.148 -13.187 0.337 135 HG LEU 18 HG LEU 18 3.095 -14.600 0.691 136 HD11 LEU 18 HD11 LEU 18 4.931 -12.884 0.677 137 HD12 LEU 18 HD12 LEU 18 4.966 -13.892 2.135 138 HD13 LEU 18 HD13 LEU 18 4.289 -12.256 2.203 139 HD21 LEU 18 HD21 LEU 18 1.307 -14.398 2.363 140 HD22 LEU 18 HD22 LEU 18 2.157 -13.056 3.142 141 HD23 LEU 18 HD23 LEU 18 2.862 -14.694 3.169 142 H THR 19 HN THR 19 1.884 -13.881 -2.526 143 HA THR 19 HA THR 19 0.180 -12.111 -4.083 144 HB THR 19 HB THR 19 -0.116 -14.063 -5.468 145 HG1 THR 19 HG1 THR 19 0.946 -16.042 -4.859 146 HG21 THR 19 HG21 THR 19 2.820 -14.057 -4.636 147 HG22 THR 19 HG22 THR 19 2.083 -12.698 -5.523 148 HG23 THR 19 HG23 THR 19 2.139 -14.317 -6.245 149 H ARG 20 HN ARG 20 -2.117 -12.643 -4.438 150 HA ARG 20 HA ARG 20 -3.737 -13.093 -2.227 151 HB2 ARG 20 HB2 ARG 20 -5.532 -13.487 -3.825 152 HB3 ARG 20 HB3 ARG 20 -4.553 -12.059 -4.176 153 HG2 ARG 20 HG2 ARG 20 -3.311 -13.662 -5.876 154 HG3 ARG 20 HG3 ARG 20 -4.741 -14.685 -5.706 155 HD2 ARG 20 HD2 ARG 20 -4.749 -11.725 -6.422 156 HD3 ARG 20 HD3 ARG 20 -4.799 -13.042 -7.620 157 HE ARG 20 HE ARG 20 -6.912 -12.929 -5.551 158 HH11 ARG 20 HH11 ARG 20 -6.066 -11.825 -8.834 159 HH12 ARG 20 HH12 ARG 20 -7.707 -11.762 -9.358 160 HH21 ARG 20 HH21 ARG 20 -9.017 -12.876 -6.248 161 HH22 ARG 20 HH22 ARG 20 -9.423 -12.210 -7.800 162 H ALA 21 HN ALA 21 -2.022 -15.456 -4.081 163 HA ALA 21 HA ALA 21 -3.618 -17.780 -3.305 164 HB1 ALA 21 HB1 ALA 21 -1.735 -19.026 -4.277 165 HB2 ALA 21 HB2 ALA 21 -2.346 -17.792 -5.400 166 HB3 ALA 21 HB3 ALA 21 -0.829 -17.530 -4.492 167 H GLY 22 HN GLY 22 -1.474 -15.753 -1.534 168 HA2 GLY 22 HA2 GLY 22 -0.659 -15.979 0.544 169 HA3 GLY 22 HA1 GLY 22 -1.351 -17.607 0.665 170 H LYS 23 HN LYS 23 0.965 -16.493 -1.862 171 HA LYS 23 HA LYS 23 3.136 -18.073 -0.607 172 HB2 LYS 23 HB2 LYS 23 2.191 -17.975 -3.508 173 HB3 LYS 23 HB3 LYS 23 3.859 -18.310 -3.120 174 HG2 LYS 23 HG2 LYS 23 3.026 -20.463 -3.228 175 HG3 LYS 23 HG3 LYS 23 2.895 -20.135 -1.494 176 HD2 LYS 23 HD2 LYS 23 0.505 -19.795 -1.662 177 HD3 LYS 23 HD3 LYS 23 0.579 -19.759 -3.425 178 HE2 LYS 23 HE2 LYS 23 -0.322 -21.879 -2.806 179 HE3 LYS 23 HE3 LYS 23 1.315 -22.160 -3.403 180 HZ1 LYS 23 HZ1 LYS 23 0.872 -23.418 -1.408 181 HZ2 LYS 23 HZ2 LYS 23 0.488 -22.076 -0.562 182 HZ3 LYS 23 HZ3 LYS 23 2.032 -22.320 -1.078 183 HA PRO 24 HA PRO 24 5.214 -14.170 -1.053 184 HB2 PRO 24 HB2 PRO 24 7.862 -14.852 -1.286 185 HB3 PRO 24 HB3 PRO 24 6.928 -15.010 0.232 186 HG2 PRO 24 HG2 PRO 24 7.534 -17.156 -1.819 187 HG3 PRO 24 HG3 PRO 24 7.691 -17.252 -0.035 188 HD2 PRO 24 HD2 PRO 24 5.513 -18.222 -1.384 189 HD3 PRO 24 HD3 PRO 24 5.360 -17.499 0.241 190 H PHE 25 HN PHE 25 6.372 -12.803 -2.630 191 HA PHE 25 HA PHE 25 6.161 -13.821 -5.414 192 HB2 PHE 25 HB2 PHE 25 4.541 -12.089 -4.623 193 HB3 PHE 25 HB3 PHE 25 5.888 -11.032 -4.230 194 HD1 PHE 25 HD1 PHE 25 4.476 -13.010 -7.125 195 HD2 PHE 25 HD2 PHE 25 6.520 -9.421 -5.834 196 HE1 PHE 25 HE1 PHE 25 4.341 -12.092 -9.423 197 HE2 PHE 25 HE2 PHE 25 6.368 -8.515 -8.129 198 HZ PHE 25 HZ PHE 25 5.277 -9.855 -9.912 199 H ARG 26 HN ARG 26 7.876 -13.355 -6.856 200 HA ARG 26 HA ARG 26 10.211 -11.951 -5.772 201 HB2 ARG 26 HB2 ARG 26 10.158 -14.611 -7.097 202 HB3 ARG 26 HB3 ARG 26 11.315 -13.513 -7.765 203 HG2 ARG 26 HG2 ARG 26 12.477 -14.783 -6.193 204 HG3 ARG 26 HG3 ARG 26 12.308 -13.190 -5.469 205 HD2 ARG 26 HD2 ARG 26 11.141 -14.005 -3.693 206 HD3 ARG 26 HD3 ARG 26 10.073 -14.951 -4.729 207 HE ARG 26 HE ARG 26 11.266 -16.811 -4.379 208 HH11 ARG 26 HH11 ARG 26 13.462 -14.140 -3.480 209 HH12 ARG 26 HH12 ARG 26 14.559 -15.157 -2.615 210 HH21 ARG 26 HH21 ARG 26 12.707 -18.137 -3.199 211 HH22 ARG 26 HH22 ARG 26 14.000 -17.434 -2.270 212 HA PRO 27 HA PRO 27 12.319 -11.629 -7.368 213 HB2 PRO 27 HB2 PRO 27 13.307 -9.099 -7.868 214 HB3 PRO 27 HB3 PRO 27 13.266 -10.399 -9.103 215 HG2 PRO 27 HG2 PRO 27 11.279 -8.140 -8.682 216 HG3 PRO 27 HG3 PRO 27 12.013 -8.696 -10.219 217 HD2 PRO 27 HD2 PRO 27 9.528 -9.482 -9.404 218 HD3 PRO 27 HD3 PRO 27 10.604 -10.601 -10.291 219 H SER 28 HN SER 28 13.209 -10.841 -5.270 220 HA SER 28 HA SER 28 11.002 -10.142 -3.582 221 HB2 SER 28 HB2 SER 28 13.023 -9.990 -1.869 222 HB3 SER 28 HB3 SER 28 12.415 -11.525 -2.517 223 HG SER 28 HG SER 28 14.852 -10.484 -2.757 224 H ASP 29 HN ASP 29 13.671 -8.366 -4.903 225 HA ASP 29 HA ASP 29 13.511 -5.953 -3.443 226 HB2 ASP 29 HB2 ASP 29 14.818 -6.844 -6.028 227 HB3 ASP 29 HB3 ASP 29 14.869 -5.144 -5.554 228 H TRP 30 HN TRP 30 11.041 -7.029 -5.353 229 HA TRP 30 HA TRP 30 10.421 -4.953 -7.103 230 HB2 TRP 30 HB2 TRP 30 8.171 -5.701 -7.015 231 HB3 TRP 30 HB3 TRP 30 9.178 -7.120 -6.846 232 HD1 TRP 30 HD1 TRP 30 8.794 -8.567 -4.678 233 HE1 TRP 30 HE1 TRP 30 7.329 -8.414 -2.612 234 HE3 TRP 30 HE3 TRP 30 6.837 -3.895 -5.459 235 HZ2 TRP 30 HZ2 TRP 30 5.404 -6.473 -1.466 236 HZ3 TRP 30 HZ3 TRP 30 5.114 -2.999 -3.941 237 HH2 TRP 30 HH2 TRP 30 4.384 -4.341 -1.973 238 H VAL 31 HN VAL 31 10.171 -4.998 -3.612 239 HA VAL 31 HA VAL 31 8.537 -2.754 -3.107 240 HB VAL 31 HB VAL 31 10.895 -3.982 -1.613 241 HG11 VAL 31 HG11 VAL 31 10.589 -1.711 -0.718 242 HG12 VAL 31 HG12 VAL 31 8.855 -2.030 -0.492 243 HG13 VAL 31 HG13 VAL 31 10.058 -2.940 0.433 244 HG21 VAL 31 HG21 VAL 31 9.061 -4.967 -0.205 245 HG22 VAL 31 HG22 VAL 31 7.883 -4.316 -1.353 246 HG23 VAL 31 HG23 VAL 31 9.057 -5.548 -1.876 247 H ASP 32 HN ASP 32 12.084 -2.957 -3.759 248 HA ASP 32 HA ASP 32 12.443 -0.163 -3.081 249 HB2 ASP 32 HB2 ASP 32 14.136 -2.146 -2.884 250 HB3 ASP 32 HB3 ASP 32 14.476 -1.799 -4.583 251 H ARG 33 HN ARG 33 11.788 -1.970 -6.024 252 HA ARG 33 HA ARG 33 12.450 0.025 -7.972 253 HB2 ARG 33 HB2 ARG 33 10.357 -2.163 -7.850 254 HB3 ARG 33 HB3 ARG 33 10.128 -0.869 -8.988 255 HG2 ARG 33 HG2 ARG 33 12.826 -1.633 -9.363 256 HG3 ARG 33 HG3 ARG 33 11.955 -3.143 -9.094 257 HD2 ARG 33 HD2 ARG 33 10.440 -2.750 -10.904 258 HD3 ARG 33 HD3 ARG 33 10.861 -1.042 -11.008 259 HE ARG 33 HE ARG 33 12.128 -3.207 -12.354 260 HH11 ARG 33 HH11 ARG 33 12.858 0.041 -10.979 261 HH12 ARG 33 HH12 ARG 33 14.189 0.289 -12.047 262 HH21 ARG 33 HH21 ARG 33 13.809 -2.690 -13.853 263 HH22 ARG 33 HH22 ARG 33 14.902 -1.403 -13.461 264 H MET 34 HN MET 34 9.439 -0.467 -6.074 265 HA MET 34 HA MET 34 8.121 1.824 -7.056 266 HB2 MET 34 HB2 MET 34 7.740 0.643 -4.290 267 HB3 MET 34 HB3 MET 34 6.570 1.553 -5.251 268 HG2 MET 34 HG2 MET 34 7.615 -1.252 -5.734 269 HG3 MET 34 HG3 MET 34 5.976 -0.792 -5.324 270 HE1 MET 34 HE1 MET 34 4.365 0.349 -8.558 271 HE2 MET 34 HE2 MET 34 4.163 -0.291 -6.918 272 HE3 MET 34 HE3 MET 34 4.894 1.313 -7.160 273 H CYS 35 HN CYS 35 10.190 1.431 -4.094 274 HA CYS 35 HA CYS 35 9.995 4.109 -3.240 275 HB2 CYS 35 HB2 CYS 35 12.441 2.292 -3.040 276 HB3 CYS 35 HB3 CYS 35 12.098 3.743 -2.083 277 HG CYS 35 HG CYS 35 11.597 2.003 -0.438 278 H SER 36 HN SER 36 12.405 2.691 -5.516 279 HA SER 36 HA SER 36 13.901 5.018 -5.956 280 HB2 SER 36 HB2 SER 36 14.955 3.799 -7.662 281 HB3 SER 36 HB3 SER 36 14.329 2.588 -6.517 282 HG SER 36 HG SER 36 12.574 2.231 -7.949 283 H THR 37 HN THR 37 11.246 3.744 -7.715 284 HA THR 37 HA THR 37 10.916 5.441 -9.865 285 HB THR 37 HB THR 37 8.529 4.589 -8.199 286 HG1 THR 37 HG1 THR 37 10.010 2.827 -8.832 287 HG21 THR 37 HG21 THR 37 8.112 6.202 -10.100 288 HG22 THR 37 HG22 THR 37 7.339 4.636 -10.346 289 HG23 THR 37 HG23 THR 37 8.838 5.030 -11.210 290 H TYR 38 HN TYR 38 9.473 6.173 -6.631 291 HA TYR 38 HA TYR 38 8.706 8.852 -7.532 292 HB2 TYR 38 HB2 TYR 38 8.209 7.328 -4.962 293 HB3 TYR 38 HB3 TYR 38 7.586 8.929 -5.291 294 HD1 TYR 38 HD1 TYR 38 7.458 5.419 -6.501 295 HD2 TYR 38 HD2 TYR 38 5.520 9.247 -6.473 296 HE1 TYR 38 HE1 TYR 38 5.531 4.405 -7.612 297 HE2 TYR 38 HE2 TYR 38 3.508 8.231 -7.490 298 HH TYR 38 HH TYR 38 2.442 5.989 -7.867 299 H ALA 39 HN ALA 39 11.676 7.949 -6.777 300 HA ALA 39 HA ALA 39 12.249 9.922 -4.635 301 HB1 ALA 39 HB1 ALA 39 13.714 7.440 -5.607 302 HB2 ALA 39 HB2 ALA 39 14.249 8.498 -4.309 303 HB3 ALA 39 HB3 ALA 39 12.738 7.596 -4.134 304 H SER 40 HN SER 40 14.755 10.556 -4.943 305 HA SER 40 HA SER 40 15.407 11.464 -7.682 306 HB2 SER 40 HB2 SER 40 15.286 13.718 -5.787 307 HB3 SER 40 HB3 SER 40 14.797 13.651 -7.474 308 HG SER 40 HG SER 40 12.775 12.840 -6.796 309 H PHE 41 HN PHE 41 17.466 12.519 -7.782 310 HA PHE 41 HA PHE 41 19.449 11.828 -5.737 311 HB2 PHE 41 HB2 PHE 41 19.326 13.462 -8.286 312 HB3 PHE 41 HB3 PHE 41 20.767 13.464 -7.269 313 HD1 PHE 41 HD1 PHE 41 19.651 10.153 -6.968 314 HD2 PHE 41 HD2 PHE 41 21.378 12.837 -9.882 315 HE1 PHE 41 HE1 PHE 41 20.604 8.251 -8.116 316 HE2 PHE 41 HE2 PHE 41 22.320 10.875 -11.078 317 HZ PHE 41 HZ PHE 41 21.954 8.583 -10.201 318 H GLY 42 HN GLY 42 20.696 13.346 -4.392 319 HA2 GLY 42 HA2 GLY 42 19.157 15.893 -3.872 320 HA3 GLY 42 HA1 GLY 42 19.862 14.846 -2.650 321 H ALA 43 HN ALA 43 21.104 16.233 -5.731 322 HA ALA 43 HA ALA 43 22.763 17.548 -6.326 323 HB1 ALA 43 HB1 ALA 43 23.875 19.114 -4.865 324 HB2 ALA 43 HB2 ALA 43 22.126 19.172 -4.578 325 HB3 ALA 43 HB3 ALA 43 23.202 18.343 -3.421 326 H ASP 44 HN ASP 44 23.586 15.823 -3.356 327 HA ASP 44 HA ASP 44 26.263 15.030 -4.052 328 HB2 ASP 44 HB2 ASP 44 25.273 15.312 -1.771 329 HB3 ASP 44 HB3 ASP 44 24.247 13.915 -2.061 330 H ARG 45 HN ARG 45 23.628 14.347 -5.688 331 HA ARG 45 HA ARG 45 22.654 12.664 -6.905 332 HB2 ARG 45 HB2 ARG 45 25.540 12.123 -7.611 333 HB3 ARG 45 HB3 ARG 45 24.099 11.849 -8.586 334 HG2 ARG 45 HG2 ARG 45 23.764 14.487 -8.151 335 HG3 ARG 45 HG3 ARG 45 25.520 14.387 -7.960 336 HD2 ARG 45 HD2 ARG 45 23.864 13.559 -10.366 337 HD3 ARG 45 HD3 ARG 45 24.941 14.966 -10.228 338 HE ARG 45 HE ARG 45 26.284 12.430 -9.784 339 HH11 ARG 45 HH11 ARG 45 24.977 14.438 -12.420 340 HH12 ARG 45 HH12 ARG 45 26.017 13.699 -13.612 341 HH21 ARG 45 HH21 ARG 45 27.872 11.770 -11.299 342 HH22 ARG 45 HH22 ARG 45 27.679 12.212 -12.979 343 H LYS 46 HN LYS 46 22.632 11.689 -4.324 344 HA LYS 46 HA LYS 46 23.549 8.880 -4.611 345 HB2 LYS 46 HB2 LYS 46 24.306 8.891 -2.560 346 HB3 LYS 46 HB3 LYS 46 24.655 10.536 -3.144 347 HG2 LYS 46 HG2 LYS 46 23.531 11.523 -1.668 348 HG3 LYS 46 HG3 LYS 46 22.126 10.480 -1.670 349 HD2 LYS 46 HD2 LYS 46 23.345 10.583 0.516 350 HD3 LYS 46 HD3 LYS 46 23.132 8.944 -0.131 351 HE2 LYS 46 HE2 LYS 46 25.388 8.700 -0.700 352 HE3 LYS 46 HE3 LYS 46 25.657 10.442 -0.821 353 HZ1 LYS 46 HZ1 LYS 46 26.725 9.599 1.116 354 HZ2 LYS 46 HZ2 LYS 46 25.367 8.938 1.699 355 HZ3 LYS 46 HZ3 LYS 46 25.508 10.594 1.548 356 H LEU 47 HN LEU 47 20.955 9.914 -5.261 357 HA LEU 47 HA LEU 47 18.751 9.778 -5.049 358 HB2 LEU 47 HB2 LEU 47 19.885 7.244 -5.256 359 HB3 LEU 47 HB3 LEU 47 18.631 7.059 -4.096 360 HG LEU 47 HG LEU 47 18.230 8.460 -6.783 361 HD11 LEU 47 HD11 LEU 47 17.718 5.581 -6.052 362 HD12 LEU 47 HD12 LEU 47 19.001 6.208 -7.129 363 HD13 LEU 47 HD13 LEU 47 17.303 6.391 -7.585 364 HD21 LEU 47 HD21 LEU 47 16.425 8.974 -5.253 365 HD22 LEU 47 HD22 LEU 47 16.235 7.251 -4.836 366 HD23 LEU 47 HD23 LEU 47 15.853 7.850 -6.473 367 H ARG 48 HN ARG 48 16.787 9.596 -3.692 368 HA ARG 48 HA ARG 48 17.060 9.511 -0.775 369 HB2 ARG 48 HB2 ARG 48 16.293 11.944 -2.481 370 HB3 ARG 48 HB3 ARG 48 15.669 11.708 -0.859 371 HG2 ARG 48 HG2 ARG 48 17.922 11.755 0.082 372 HG3 ARG 48 HG3 ARG 48 18.625 12.007 -1.534 373 HD2 ARG 48 HD2 ARG 48 17.685 14.126 -1.794 374 HD3 ARG 48 HD3 ARG 48 16.390 13.824 -0.634 375 HE ARG 48 HE ARG 48 19.114 14.745 -0.055 376 HH11 ARG 48 HH11 ARG 48 16.155 13.382 1.293 377 HH12 ARG 48 HH12 ARG 48 16.508 13.834 2.924 378 HH21 ARG 48 HH21 ARG 48 19.655 15.267 2.092 379 HH22 ARG 48 HH22 ARG 48 18.703 14.634 3.416 380 H TYR 49 HN TYR 49 15.702 7.864 -0.644 381 HA TYR 49 HA TYR 49 13.200 7.620 -2.057 382 HB2 TYR 49 HB2 TYR 49 14.078 6.438 0.607 383 HB3 TYR 49 HB3 TYR 49 12.698 5.921 -0.347 384 HD1 TYR 49 HD2 TYR 49 13.638 5.638 -3.077 385 HD2 TYR 49 HD1 TYR 49 15.777 4.860 0.582 386 HE1 TYR 49 HE2 TYR 49 15.074 3.993 -4.264 387 HE2 TYR 49 HE1 TYR 49 17.166 3.166 -0.599 388 HH TYR 49 HH TYR 49 16.386 1.755 -3.442 389 H SER 50 HN SER 50 11.367 8.695 -1.740 390 HA SER 50 HA SER 50 11.136 10.836 0.156 391 HB2 SER 50 HB2 SER 50 9.077 9.425 -1.597 392 HB3 SER 50 HB3 SER 50 8.855 10.990 -0.793 393 HG SER 50 HG SER 50 11.109 11.266 -2.056 394 HA PRO 51 HA PRO 51 9.908 8.667 3.660 395 HB2 PRO 51 HB2 PRO 51 8.225 10.352 5.013 396 HB3 PRO 51 HB3 PRO 51 9.951 10.740 4.724 397 HG2 PRO 51 HG2 PRO 51 7.557 11.618 3.058 398 HG3 PRO 51 HG3 PRO 51 8.849 12.648 3.741 399 HD2 PRO 51 HD2 PRO 51 8.958 11.784 1.211 400 HD3 PRO 51 HD3 PRO 51 10.451 11.828 2.203 401 H TYR 52 HN TYR 52 7.252 9.613 1.501 402 HA TYR 52 HA TYR 52 5.245 8.230 3.003 403 HB2 TYR 52 HB2 TYR 52 5.104 9.187 0.129 404 HB3 TYR 52 HB3 TYR 52 3.751 8.837 1.188 405 HD1 TYR 52 HD2 TYR 52 4.525 10.273 3.737 406 HD2 TYR 52 HD1 TYR 52 4.891 11.458 -0.404 407 HE1 TYR 52 HE2 TYR 52 4.431 12.631 4.397 408 HE2 TYR 52 HE1 TYR 52 4.772 13.824 0.256 409 HH TYR 52 HH TYR 52 4.476 15.344 2.053 410 H LEU 53 HN LEU 53 7.718 6.772 1.574 411 HA LEU 53 HA LEU 53 6.225 4.402 0.665 412 HB2 LEU 53 HB2 LEU 53 7.496 6.514 -0.952 413 HB3 LEU 53 HB3 LEU 53 8.158 4.922 -1.335 414 HG LEU 53 HG LEU 53 5.175 5.524 -1.349 415 HD11 LEU 53 HD11 LEU 53 7.147 5.451 -3.682 416 HD12 LEU 53 HD12 LEU 53 6.407 6.922 -3.007 417 HD13 LEU 53 HD13 LEU 53 5.396 5.713 -3.790 418 HD21 LEU 53 HD21 LEU 53 5.856 3.137 -1.053 419 HD22 LEU 53 HD22 LEU 53 6.856 3.254 -2.522 420 HD23 LEU 53 HD23 LEU 53 5.095 3.396 -2.607 421 H LYS 54 HN LYS 54 7.212 3.022 2.154 422 HA LYS 54 HA LYS 54 10.155 2.865 2.012 423 HB2 LYS 54 HB2 LYS 54 8.577 3.332 4.571 424 HB3 LYS 54 HB3 LYS 54 10.131 2.517 4.570 425 HG2 LYS 54 HG2 LYS 54 10.676 4.808 3.059 426 HG3 LYS 54 HG3 LYS 54 9.546 5.404 4.270 427 HD2 LYS 54 HD2 LYS 54 12.094 3.800 4.784 428 HD3 LYS 54 HD3 LYS 54 11.986 5.550 4.918 429 HE2 LYS 54 HE2 LYS 54 10.128 3.788 6.548 430 HE3 LYS 54 HE3 LYS 54 11.804 4.027 7.048 431 HZ1 LYS 54 HZ1 LYS 54 9.836 6.192 6.680 432 HZ2 LYS 54 HZ2 LYS 54 11.448 6.373 7.107 433 HZ3 LYS 54 HZ3 LYS 54 10.420 5.591 8.098 434 HA PRO 55 HA PRO 55 9.361 -1.534 2.337 435 HB2 PRO 55 HB2 PRO 55 11.750 -2.395 3.401 436 HB3 PRO 55 HB3 PRO 55 11.588 -1.901 1.693 437 HG2 PRO 55 HG2 PRO 55 12.559 -0.220 4.012 438 HG3 PRO 55 HG3 PRO 55 13.328 -0.450 2.409 439 HD2 PRO 55 HD2 PRO 55 11.788 1.704 2.955 440 HD3 PRO 55 HD3 PRO 55 11.708 0.913 1.352 441 H ARG 56 HN ARG 56 9.258 -3.147 4.129 442 HA ARG 56 HA ARG 56 9.429 -2.116 6.888 443 HB2 ARG 56 HB2 ARG 56 6.935 -2.966 5.475 444 HB3 ARG 56 HB3 ARG 56 7.181 -3.535 7.119 445 HG2 ARG 56 HG2 ARG 56 7.553 -1.190 7.908 446 HG3 ARG 56 HG3 ARG 56 7.159 -0.610 6.270 447 HD2 ARG 56 HD2 ARG 56 5.009 -1.610 6.335 448 HD3 ARG 56 HD3 ARG 56 5.366 -2.539 7.780 449 HE ARG 56 HE ARG 56 4.465 0.238 7.697 450 HH11 ARG 56 HH11 ARG 56 6.339 -2.003 9.741 451 HH12 ARG 56 HH12 ARG 56 5.421 -1.613 11.169 452 HH21 ARG 56 HH21 ARG 56 3.107 0.480 9.648 453 HH22 ARG 56 HH22 ARG 56 3.838 0.019 11.151 454 H VAL 57 HN VAL 57 8.794 -4.329 8.283 455 HA VAL 57 HA VAL 57 9.290 -6.735 6.802 456 HB VAL 57 HB VAL 57 10.949 -6.196 9.316 457 HG11 VAL 57 HG11 VAL 57 10.642 -8.724 7.631 458 HG12 VAL 57 HG12 VAL 57 11.806 -8.509 8.953 459 HG13 VAL 57 HG13 VAL 57 10.075 -8.503 9.297 460 HG21 VAL 57 HG21 VAL 57 12.093 -5.244 7.384 461 HG22 VAL 57 HG22 VAL 57 12.914 -6.724 7.858 462 HG23 VAL 57 HG23 VAL 57 11.831 -6.727 6.445 463 H ILE 58 HN ILE 58 7.517 -7.870 7.291 464 HA ILE 58 HA ILE 58 6.239 -7.843 9.948 465 HB ILE 58 HB ILE 58 4.836 -7.315 7.266 466 HG12 ILE 58 HG12 ILE 58 5.187 -5.627 9.795 467 HG13 ILE 58 HG13 ILE 58 5.880 -5.272 8.246 468 HG21 ILE 58 HG21 ILE 58 2.731 -7.381 8.478 469 HG22 ILE 58 HG22 ILE 58 3.542 -8.912 8.616 470 HG23 ILE 58 HG23 ILE 58 3.562 -7.787 9.983 471 HD11 ILE 58 HD11 ILE 58 2.941 -5.229 8.908 472 HD12 ILE 58 HD12 ILE 58 3.979 -3.835 8.717 473 HD13 ILE 58 HD13 ILE 58 3.643 -4.875 7.303 474 H GLU 59 HN GLU 59 5.858 -9.957 10.444 475 HA GLU 59 HA GLU 59 6.075 -12.197 10.317 476 HB2 GLU 59 HB2 GLU 59 4.234 -11.738 7.951 477 HB3 GLU 59 HB3 GLU 59 4.562 -13.325 8.667 478 HG2 GLU 59 HG2 GLU 59 3.775 -12.492 10.879 479 HG3 GLU 59 HG3 GLU 59 3.369 -10.945 10.147 480 H GLY 60 HN GLY 60 8.289 -10.820 9.231 481 HA2 GLY 60 HA2 GLY 60 10.266 -11.314 8.202 482 HA3 GLY 60 HA1 GLY 60 9.656 -12.929 7.863 483 H VAL 61 HN VAL 61 7.443 -10.792 6.465 484 HA VAL 61 HA VAL 61 8.417 -11.217 3.760 485 HB VAL 61 HB VAL 61 6.077 -9.515 4.704 486 HG11 VAL 61 HG11 VAL 61 5.061 -10.178 2.529 487 HG12 VAL 61 HG12 VAL 61 6.522 -9.248 2.296 488 HG13 VAL 61 HG13 VAL 61 6.562 -11.020 2.094 489 HG21 VAL 61 HG21 VAL 61 4.608 -11.485 4.412 490 HG22 VAL 61 HG22 VAL 61 6.042 -12.509 4.153 491 HG23 VAL 61 HG23 VAL 61 5.745 -11.725 5.717 492 H ARG 62 HN ARG 62 8.561 -9.284 2.283 493 HA ARG 62 HA ARG 62 10.132 -7.065 3.437 494 HB2 ARG 62 HB2 ARG 62 9.220 -7.459 0.522 495 HB3 ARG 62 HB3 ARG 62 10.373 -6.281 1.130 496 HG2 ARG 62 HG2 ARG 62 11.894 -7.805 0.423 497 HG3 ARG 62 HG3 ARG 62 11.618 -8.485 2.026 498 HD2 ARG 62 HD2 ARG 62 9.736 -9.903 0.797 499 HD3 ARG 62 HD3 ARG 62 10.590 -9.397 -0.677 500 HE ARG 62 HE ARG 62 12.418 -10.407 1.256 501 HH11 ARG 62 HH11 ARG 62 9.794 -11.826 -0.740 502 HH12 ARG 62 HH12 ARG 62 10.617 -13.351 -0.866 503 HH21 ARG 62 HH21 ARG 62 13.392 -12.402 1.062 504 HH22 ARG 62 HH22 ARG 62 12.668 -13.682 0.153 505 H CYS 63 HN CYS 63 7.374 -6.855 1.142 506 HA CYS 63 HA CYS 63 5.533 -5.586 1.073 507 HB2 CYS 63 HB2 CYS 63 5.714 -4.889 4.024 508 HB3 CYS 63 HB3 CYS 63 4.305 -4.920 2.991 509 HG CYS 63 HG CYS 63 4.148 -6.816 4.727 510 H LEU 64 HN LEU 64 4.724 -3.324 1.320 511 HA LEU 64 HA LEU 64 6.888 -1.291 1.465 512 HB2 LEU 64 HB2 LEU 64 6.584 -2.065 -0.869 513 HB3 LEU 64 HB3 LEU 64 4.860 -1.767 -0.734 514 HG LEU 64 HG LEU 64 5.333 0.683 -0.407 515 HD11 LEU 64 HD11 LEU 64 7.517 1.599 -0.977 516 HD12 LEU 64 HD12 LEU 64 8.152 -0.005 -1.362 517 HD13 LEU 64 HD13 LEU 64 7.760 0.430 0.308 518 HD21 LEU 64 HD21 LEU 64 4.649 -0.295 -2.555 519 HD22 LEU 64 HD22 LEU 64 6.332 -0.698 -2.936 520 HD23 LEU 64 HD23 LEU 64 5.813 1.002 -2.828 521 H ALA 65 HN ALA 65 6.209 0.054 3.057 522 HA ALA 65 HA ALA 65 3.383 0.438 3.799 523 HB1 ALA 65 HB1 ALA 65 5.953 1.858 4.654 524 HB2 ALA 65 HB2 ALA 65 4.340 2.126 5.340 525 HB3 ALA 65 HB3 ALA 65 5.135 0.557 5.544 526 H VAL 66 HN VAL 66 2.173 2.236 3.102 527 HA VAL 66 HA VAL 66 3.532 4.281 1.466 528 HB VAL 66 HB VAL 66 0.932 3.037 0.620 529 HG11 VAL 66 HG11 VAL 66 1.245 5.482 0.158 530 HG12 VAL 66 HG12 VAL 66 2.767 5.114 -0.658 531 HG13 VAL 66 HG13 VAL 66 1.225 4.500 -1.311 532 HG21 VAL 66 HG21 VAL 66 3.502 2.918 -0.984 533 HG22 VAL 66 HG22 VAL 66 3.162 1.643 0.172 534 HG23 VAL 66 HG23 VAL 66 2.020 1.938 -1.114 535 H ASP 67 HN ASP 67 3.193 6.081 2.551 536 HA ASP 67 HA ASP 67 1.244 6.379 4.733 537 HB2 ASP 67 HB2 ASP 67 3.675 7.258 4.614 538 HB3 ASP 67 HB3 ASP 67 3.075 8.459 3.467 539 H LEU 68 HN LEU 68 -0.799 7.306 4.477 540 HA LEU 68 HA LEU 68 -1.727 7.857 1.839 541 HB2 LEU 68 HB2 LEU 68 -2.941 7.385 4.369 542 HB3 LEU 68 HB3 LEU 68 -3.640 8.828 3.680 543 HG LEU 68 HG LEU 68 -3.295 6.141 2.284 544 HD11 LEU 68 HD11 LEU 68 -5.722 7.315 3.706 545 HD12 LEU 68 HD12 LEU 68 -4.854 5.807 4.083 546 HD13 LEU 68 HD13 LEU 68 -5.810 5.933 2.613 547 HD21 LEU 68 HD21 LEU 68 -3.517 7.914 0.617 548 HD22 LEU 68 HD22 LEU 68 -4.901 8.612 1.477 549 HD23 LEU 68 HD23 LEU 68 -5.039 7.033 0.677 550 H LYS 69 HN LYS 69 0.083 9.819 3.781 551 HA LYS 69 HA LYS 69 -1.072 12.401 3.373 552 HB2 LYS 69 HB2 LYS 69 1.022 11.574 4.795 553 HB3 LYS 69 HB3 LYS 69 1.920 12.036 3.360 554 HG2 LYS 69 HG2 LYS 69 0.106 13.776 5.075 555 HG3 LYS 69 HG3 LYS 69 1.861 13.736 5.143 556 HD2 LYS 69 HD2 LYS 69 1.751 15.582 3.859 557 HD3 LYS 69 HD3 LYS 69 1.593 14.429 2.549 558 HE2 LYS 69 HE2 LYS 69 -0.127 16.060 2.214 559 HE3 LYS 69 HE3 LYS 69 -0.937 14.607 2.806 560 HZ1 LYS 69 HZ1 LYS 69 -1.051 15.652 5.010 561 HZ2 LYS 69 HZ2 LYS 69 -1.815 16.518 3.882 562 HZ3 LYS 69 HZ3 LYS 69 -0.330 17.009 4.424 563 H LEU 70 HN LEU 70 1.023 10.429 1.252 564 HA LEU 70 HA LEU 70 1.534 12.459 -0.646 565 HB2 LEU 70 HB2 LEU 70 2.775 10.420 -0.694 566 HB3 LEU 70 HB3 LEU 70 1.357 9.475 -1.098 567 HG LEU 70 HG LEU 70 1.173 10.690 -3.282 568 HD11 LEU 70 HD11 LEU 70 2.387 12.777 -2.736 569 HD12 LEU 70 HD12 LEU 70 3.152 11.962 -4.095 570 HD13 LEU 70 HD13 LEU 70 3.883 11.855 -2.484 571 HD21 LEU 70 HD21 LEU 70 3.324 9.589 -4.222 572 HD22 LEU 70 HD22 LEU 70 2.175 8.576 -3.329 573 HD23 LEU 70 HD23 LEU 70 3.671 9.138 -2.552 574 H LYS 71 HN LYS 71 -1.356 10.379 -0.303 575 HA LYS 71 HA LYS 71 -2.503 11.008 -2.826 576 HB2 LYS 71 HB2 LYS 71 -3.114 9.115 -1.361 577 HB3 LYS 71 HB3 LYS 71 -3.854 10.245 -0.223 578 HG2 LYS 71 HG2 LYS 71 -5.781 9.798 -1.231 579 HG3 LYS 71 HG3 LYS 71 -5.254 10.834 -2.566 580 HD2 LYS 71 HD2 LYS 71 -4.313 8.803 -3.712 581 HD3 LYS 71 HD3 LYS 71 -4.794 7.856 -2.309 582 HE2 LYS 71 HE2 LYS 71 -6.378 7.419 -3.997 583 HE3 LYS 71 HE3 LYS 71 -7.176 8.356 -2.716 584 HZ1 LYS 71 HZ1 LYS 71 -7.241 10.218 -4.059 585 HZ2 LYS 71 HZ2 LYS 71 -7.666 9.000 -5.066 586 HZ3 LYS 71 HZ3 LYS 71 -6.145 9.595 -5.172 587 H ASP 72 HN ASP 72 -2.421 12.833 0.173 588 HA ASP 72 HA ASP 72 -4.585 14.671 -0.320 589 HB2 ASP 72 HB2 ASP 72 -3.235 14.146 1.834 590 HB3 ASP 72 HB3 ASP 72 -2.009 15.210 1.164 591 H THR 73 HN THR 73 -1.290 14.410 -1.470 592 HA THR 73 HA THR 73 -1.365 17.190 -2.528 593 HB THR 73 HB THR 73 0.203 16.536 -0.637 594 HG1 THR 73 HG1 THR 73 0.371 18.344 -2.122 595 HG21 THR 73 HG21 THR 73 1.088 14.436 -1.389 596 HG22 THR 73 HG22 THR 73 2.383 15.613 -1.191 597 HG23 THR 73 HG23 THR 73 1.816 15.202 -2.822 598 H ASN 74 HN ASN 74 -0.834 13.847 -3.489 599 HA ASN 74 HA ASN 74 -1.152 14.646 -6.262 600 HB2 ASN 74 HB2 ASN 74 1.326 14.729 -5.920 601 HB3 ASN 74 HB3 ASN 74 1.307 13.009 -5.536 602 HD21 ASN 74 HD21 ASN 74 1.451 11.611 -7.436 603 HD22 ASN 74 HD22 ASN 74 1.077 12.231 -9.068 604 HA PRO 75 HA PRO 75 -3.359 10.936 -4.705 605 HB2 PRO 75 HB2 PRO 75 -5.675 11.271 -6.247 606 HB3 PRO 75 HB3 PRO 75 -5.394 11.987 -4.630 607 HG2 PRO 75 HG2 PRO 75 -4.963 13.259 -7.338 608 HG3 PRO 75 HG3 PRO 75 -5.785 13.956 -5.902 609 HD2 PRO 75 HD2 PRO 75 -3.236 14.583 -6.469 610 HD3 PRO 75 HD3 PRO 75 -3.708 14.265 -4.779 611 H GLU 76 HN GLU 76 -2.902 11.918 -8.132 612 HA GLU 76 HA GLU 76 -3.764 9.487 -9.324 613 HB2 GLU 76 HB2 GLU 76 -3.414 11.688 -10.455 614 HB3 GLU 76 HB3 GLU 76 -1.689 11.570 -10.155 615 HG2 GLU 76 HG2 GLU 76 -1.531 9.559 -11.587 616 HG3 GLU 76 HG3 GLU 76 -3.271 9.612 -11.857 617 H GLY 77 HN GLY 77 -0.522 10.629 -8.426 618 HA2 GLY 77 HA2 GLY 77 0.862 8.327 -9.402 619 HA3 GLY 77 HA1 GLY 77 1.510 9.454 -8.207 620 H PHE 78 HN PHE 78 -0.696 8.958 -6.261 621 HA PHE 78 HA PHE 78 0.179 6.528 -4.930 622 HB2 PHE 78 HB2 PHE 78 -0.687 8.426 -3.677 623 HB3 PHE 78 HB3 PHE 78 -2.228 8.311 -4.506 624 HD1 PHE 78 HD2 PHE 78 -3.767 6.349 -4.091 625 HD2 PHE 78 HD1 PHE 78 -0.090 6.872 -1.921 626 HE1 PHE 78 HE2 PHE 78 -4.621 4.876 -2.290 627 HE2 PHE 78 HE1 PHE 78 -0.970 5.375 -0.101 628 HZ PHE 78 HZ PHE 78 -3.208 4.428 -0.283 629 H ASN 79 HN ASN 79 -2.694 7.465 -6.816 630 HA ASN 79 HA ASN 79 -4.099 5.064 -6.621 631 HB2 ASN 79 HB2 ASN 79 -4.026 7.143 -8.824 632 HB3 ASN 79 HB3 ASN 79 -5.129 5.814 -8.835 633 HD21 ASN 79 HD21 ASN 79 -6.129 8.370 -8.910 634 HD22 ASN 79 HD22 ASN 79 -6.978 8.621 -7.410 635 H GLN 80 HN GLN 80 -1.609 5.937 -9.140 636 HA GLN 80 HA GLN 80 -1.747 3.462 -10.538 637 HB2 GLN 80 HB2 GLN 80 0.585 5.402 -10.117 638 HB3 GLN 80 HB3 GLN 80 0.566 4.046 -11.237 639 HG2 GLN 80 HG2 GLN 80 -1.692 5.250 -12.082 640 HG3 GLN 80 HG3 GLN 80 -0.868 6.671 -11.433 641 HE21 GLN 80 HE21 GLN 80 1.535 6.977 -12.311 642 HE22 GLN 80 HE22 GLN 80 1.709 6.584 -14.013 643 H LEU 81 HN LEU 81 -0.046 4.362 -7.525 644 HA LEU 81 HA LEU 81 1.678 2.071 -7.456 645 HB2 LEU 81 HB2 LEU 81 1.476 4.385 -6.018 646 HB3 LEU 81 HB3 LEU 81 0.606 3.322 -4.923 647 HG LEU 81 HG LEU 81 3.158 2.205 -5.989 648 HD11 LEU 81 HD11 LEU 81 3.652 4.691 -5.558 649 HD12 LEU 81 HD12 LEU 81 4.709 3.466 -4.843 650 HD13 LEU 81 HD13 LEU 81 3.484 4.279 -3.848 651 HD21 LEU 81 HD21 LEU 81 3.462 1.423 -3.704 652 HD22 LEU 81 HD22 LEU 81 1.772 1.134 -4.152 653 HD23 LEU 81 HD23 LEU 81 2.185 2.520 -3.141 654 H MET 82 HN MET 82 -1.548 2.764 -6.220 655 HA MET 82 HA MET 82 -1.995 0.351 -4.826 656 HB2 MET 82 HB2 MET 82 -4.097 1.823 -6.480 657 HB3 MET 82 HB3 MET 82 -4.408 0.662 -5.221 658 HG2 MET 82 HG2 MET 82 -3.100 3.373 -4.848 659 HG3 MET 82 HG3 MET 82 -4.763 2.989 -4.481 660 HE1 MET 82 HE1 MET 82 -4.451 0.638 -1.346 661 HE2 MET 82 HE2 MET 82 -5.573 1.610 -2.340 662 HE3 MET 82 HE3 MET 82 -4.730 0.214 -3.039 663 H HIS 83 HN HIS 83 -2.555 1.153 -8.285 664 HA HIS 83 HA HIS 83 -3.715 -1.210 -9.132 665 HB2 HIS 83 HB2 HIS 83 -3.426 0.920 -10.432 666 HB3 HIS 83 HB3 HIS 83 -1.762 0.472 -10.742 667 HD1 HIS 83 HD1 HIS 83 -2.274 0.423 -13.384 668 HD2 HIS 83 HD2 HIS 83 -4.301 -2.394 -10.983 669 HE1 HIS 83 HE1 HIS 83 -3.242 -1.329 -14.972 670 H PHE 84 HN PHE 84 -0.243 -0.472 -8.861 671 HA PHE 84 HA PHE 84 0.838 -2.764 -10.015 672 HB2 PHE 84 HB2 PHE 84 2.154 -0.885 -9.251 673 HB3 PHE 84 HB3 PHE 84 1.783 -1.244 -7.584 674 HD1 PHE 84 HD1 PHE 84 2.629 -3.512 -6.566 675 HD2 PHE 84 HD2 PHE 84 4.027 -1.837 -10.282 676 HE1 PHE 84 HE1 PHE 84 4.633 -4.928 -6.439 677 HE2 PHE 84 HE2 PHE 84 6.108 -3.201 -10.094 678 HZ PHE 84 HZ PHE 84 6.399 -4.753 -8.185 679 H ALA 85 HN ALA 85 -0.683 -2.551 -6.778 680 HA ALA 85 HA ALA 85 0.171 -5.167 -5.842 681 HB1 ALA 85 HB1 ALA 85 -2.349 -3.623 -5.083 682 HB2 ALA 85 HB2 ALA 85 -1.525 -4.898 -4.162 683 HB3 ALA 85 HB3 ALA 85 -0.752 -3.307 -4.389 684 H THR 86 HN THR 86 -2.910 -3.919 -7.224 685 HA THR 86 HA THR 86 -4.136 -6.403 -7.590 686 HB THR 86 HB THR 86 -4.783 -3.975 -9.272 687 HG1 THR 86 HG1 THR 86 -5.344 -2.787 -7.630 688 HG21 THR 86 HG21 THR 86 -6.517 -5.766 -7.496 689 HG22 THR 86 HG22 THR 86 -6.227 -6.052 -9.215 690 HG23 THR 86 HG23 THR 86 -7.076 -4.582 -8.707 691 H GLU 87 HN GLU 87 -1.758 -4.750 -9.645 692 HA GLU 87 HA GLU 87 -2.111 -6.305 -12.007 693 HB2 GLU 87 HB2 GLU 87 0.191 -4.716 -10.812 694 HB3 GLU 87 HB3 GLU 87 0.353 -5.621 -12.276 695 HG2 GLU 87 HG2 GLU 87 -1.960 -3.883 -12.462 696 HG3 GLU 87 HG3 GLU 87 -0.554 -2.966 -11.955 697 H ASN 88 HN ASN 88 0.313 -6.699 -9.070 698 HA ASN 88 HA ASN 88 1.157 -9.089 -10.589 699 HB2 ASN 88 HB2 ASN 88 2.395 -7.197 -8.634 700 HB3 ASN 88 HB3 ASN 88 3.058 -8.827 -8.823 701 HD21 ASN 88 HD21 ASN 88 2.092 -5.817 -10.500 702 HD22 ASN 88 HD22 ASN 88 3.023 -6.068 -11.955 703 H GLN 89 HN GLN 89 -1.054 -8.329 -8.353 704 HA GLN 89 HA GLN 89 -2.735 -9.610 -7.612 705 HB2 GLN 89 HB2 GLN 89 -1.000 -12.086 -8.035 706 HB3 GLN 89 HB3 GLN 89 -2.697 -12.056 -7.640 707 HG2 GLN 89 HG2 GLN 89 -1.463 -11.084 -10.235 708 HG3 GLN 89 HG3 GLN 89 -2.441 -12.527 -9.983 709 HE21 GLN 89 HE21 GLN 89 -2.635 -9.419 -11.187 710 HE22 GLN 89 HE22 GLN 89 -4.325 -9.128 -10.872 711 H LEU 90 HN LEU 90 -0.301 -8.438 -6.067 712 HA LEU 90 HA LEU 90 -0.020 -10.118 -3.847 713 HB2 LEU 90 HB2 LEU 90 0.459 -7.146 -4.005 714 HB3 LEU 90 HB3 LEU 90 1.275 -8.346 -3.024 715 HG LEU 90 HG LEU 90 2.773 -8.071 -4.676 716 HD11 LEU 90 HD11 LEU 90 2.420 -10.387 -4.561 717 HD12 LEU 90 HD12 LEU 90 3.117 -9.828 -6.103 718 HD13 LEU 90 HD13 LEU 90 1.429 -10.306 -6.012 719 HD21 LEU 90 HD21 LEU 90 2.872 -7.329 -6.618 720 HD22 LEU 90 HD22 LEU 90 1.939 -6.328 -5.543 721 HD23 LEU 90 HD23 LEU 90 1.068 -7.313 -6.773 722 H ASN 91 HN ASN 91 -0.544 -9.583 -1.674 723 HA ASN 91 HA ASN 91 -3.336 -8.871 -1.370 724 HB2 ASN 91 HB2 ASN 91 -1.775 -10.564 -0.026 725 HB3 ASN 91 HB3 ASN 91 -1.466 -9.154 0.982 726 HD21 ASN 91 HD21 ASN 91 -2.773 -11.352 2.104 727 HD22 ASN 91 HD22 ASN 91 -4.454 -11.007 2.346 728 H ILE 92 HN ILE 92 -4.073 -6.826 -1.131 729 HA ILE 92 HA ILE 92 -2.320 -4.607 -0.285 730 HB ILE 92 HB ILE 92 -5.333 -4.773 -0.883 731 HG12 ILE 92 HG12 ILE 92 -3.049 -3.665 -2.558 732 HG13 ILE 92 HG13 ILE 92 -4.017 -5.098 -2.911 733 HG21 ILE 92 HG21 ILE 92 -4.412 -2.859 0.774 734 HG22 ILE 92 HG22 ILE 92 -3.909 -2.111 -0.728 735 HG23 ILE 92 HG23 ILE 92 -5.612 -2.502 -0.480 736 HD11 ILE 92 HD11 ILE 92 -6.050 -3.691 -3.105 737 HD12 ILE 92 HD12 ILE 92 -5.053 -2.236 -2.903 738 HD13 ILE 92 HD13 ILE 92 -4.790 -3.289 -4.300 739 H LEU 93 HN LEU 93 -1.932 -4.557 1.945 740 HA LEU 93 HA LEU 93 -4.128 -5.402 3.704 741 HB2 LEU 93 HB2 LEU 93 -1.206 -4.907 4.342 742 HB3 LEU 93 HB3 LEU 93 -2.466 -5.441 5.428 743 HG LEU 93 HG LEU 93 -1.364 -6.902 3.090 744 HD11 LEU 93 HD11 LEU 93 0.182 -6.953 4.937 745 HD12 LEU 93 HD12 LEU 93 -0.538 -8.567 4.728 746 HD13 LEU 93 HD13 LEU 93 -1.083 -7.531 6.034 747 HD21 LEU 93 HD21 LEU 93 -3.598 -7.617 3.108 748 HD22 LEU 93 HD22 LEU 93 -3.608 -7.803 4.876 749 HD23 LEU 93 HD23 LEU 93 -2.669 -8.910 3.847 750 H ASP 94 HN ASP 94 -4.278 -4.219 5.471 751 HA ASP 94 HA ASP 94 -4.236 -1.243 5.162 752 HB2 ASP 94 HB2 ASP 94 -6.211 -3.039 6.149 753 HB3 ASP 94 HB3 ASP 94 -5.632 -2.258 7.546 754 H ALA 95 HN ALA 95 -4.261 -0.498 7.665 755 HA ALA 95 HA ALA 95 -1.492 -0.213 8.148 756 HB1 ALA 95 HB1 ALA 95 -3.737 0.296 10.151 757 HB2 ALA 95 HB2 ALA 95 -2.067 0.880 10.309 758 HB3 ALA 95 HB3 ALA 95 -3.066 1.450 8.974 759 H GLU 96 HN GLU 96 -3.775 -2.309 9.920 760 HA GLU 96 HA GLU 96 -1.688 -3.311 11.713 761 HB2 GLU 96 HB2 GLU 96 -4.648 -3.882 11.383 762 HB3 GLU 96 HB3 GLU 96 -3.595 -4.871 12.418 763 HG2 GLU 96 HG2 GLU 96 -2.864 -2.797 13.618 764 HG3 GLU 96 HG3 GLU 96 -4.009 -1.868 12.648 765 H GLY 97 HN GLY 97 -2.680 -4.107 8.541 766 HA2 GLY 97 HA2 GLY 97 -1.632 -5.738 7.282 767 HA3 GLY 97 HA1 GLY 97 -1.353 -6.763 8.662 768 H ASN 98 HN ASN 98 -4.527 -5.456 8.565 769 HA ASN 98 HA ASN 98 -5.770 -8.032 7.901 770 HB2 ASN 98 HB2 ASN 98 -7.014 -5.283 8.326 771 HB3 ASN 98 HB3 ASN 98 -7.867 -6.828 8.228 772 HD21 ASN 98 HD21 ASN 98 -7.153 -4.656 10.691 773 HD22 ASN 98 HD22 ASN 98 -6.656 -5.815 11.859 774 H SER 99 HN SER 99 -6.719 -8.492 5.858 775 HA SER 99 HA SER 99 -5.628 -6.961 3.662 776 HB2 SER 99 HB2 SER 99 -6.918 -8.708 2.276 777 HB3 SER 99 HB3 SER 99 -5.535 -9.184 3.255 778 HG SER 99 HG SER 99 -8.283 -9.652 3.742 779 H ILE 100 HN ILE 100 -6.613 -5.845 2.056 780 HA ILE 100 HA ILE 100 -9.469 -5.203 2.174 781 HB ILE 100 HB ILE 100 -8.769 -2.713 1.981 782 HG12 ILE 100 HG12 ILE 100 -6.501 -3.299 3.835 783 HG13 ILE 100 HG13 ILE 100 -6.171 -3.488 2.133 784 HG21 ILE 100 HG21 ILE 100 -10.079 -3.725 3.836 785 HG22 ILE 100 HG22 ILE 100 -8.555 -3.986 4.709 786 HG23 ILE 100 HG23 ILE 100 -9.078 -2.350 4.319 787 HD11 ILE 100 HD11 ILE 100 -7.316 -0.952 3.366 788 HD12 ILE 100 HD12 ILE 100 -5.619 -1.215 2.906 789 HD13 ILE 100 HD13 ILE 100 -6.881 -1.202 1.664 790 H ASP 101 HN ASP 101 -9.363 -3.132 0.304 791 HA ASP 101 HA ASP 101 -8.251 -4.249 -2.197 792 HB2 ASP 101 HB2 ASP 101 -11.089 -3.712 -1.476 793 HB3 ASP 101 HB3 ASP 101 -10.592 -2.879 -2.897 794 H ALA 102 HN ALA 102 -8.425 -2.319 -3.803 795 HA ALA 102 HA ALA 102 -7.080 -0.073 -2.539 796 HB1 ALA 102 HB1 ALA 102 -7.993 -0.413 -5.423 797 HB2 ALA 102 HB2 ALA 102 -6.904 0.846 -4.807 798 HB3 ALA 102 HB3 ALA 102 -6.398 -0.856 -4.775 799 H ALA 103 HN ALA 103 -10.398 -0.681 -3.695 800 HA ALA 103 HA ALA 103 -11.365 1.996 -3.713 801 HB1 ALA 103 HB1 ALA 103 -12.779 -0.575 -2.855 802 HB2 ALA 103 HB2 ALA 103 -13.571 0.981 -3.183 803 HB3 ALA 103 HB3 ALA 103 -12.757 0.135 -4.509 804 H GLN 104 HN GLN 104 -10.634 -0.195 -1.070 805 HA GLN 104 HA GLN 104 -12.001 1.213 1.022 806 HB2 GLN 104 HB2 GLN 104 -9.683 -0.717 1.205 807 HB3 GLN 104 HB3 GLN 104 -10.828 -0.359 2.470 808 HG2 GLN 104 HG2 GLN 104 -11.545 -1.786 -0.125 809 HG3 GLN 104 HG3 GLN 104 -11.067 -2.599 1.346 810 HE21 GLN 104 HE21 GLN 104 -12.758 -3.398 2.474 811 HE22 GLN 104 HE22 GLN 104 -14.339 -2.673 2.603 812 H VAL 105 HN VAL 105 -9.464 2.292 -0.828 813 HA VAL 105 HA VAL 105 -8.252 3.852 1.416 814 HB VAL 105 HB VAL 105 -6.906 2.822 -1.084 815 HG11 VAL 105 HG11 VAL 105 -4.828 3.122 0.232 816 HG12 VAL 105 HG12 VAL 105 -5.701 4.633 -0.046 817 HG13 VAL 105 HG13 VAL 105 -5.786 3.829 1.542 818 HG21 VAL 105 HG21 VAL 105 -7.514 0.780 0.043 819 HG22 VAL 105 HG22 VAL 105 -5.814 1.045 0.370 820 HG23 VAL 105 HG23 VAL 105 -7.010 1.433 1.619 821 H THR 106 HN THR 106 -9.795 4.052 -1.696 822 HA THR 106 HA THR 106 -8.328 6.474 -2.472 823 HB THR 106 HB THR 106 -9.287 6.057 -4.698 824 HG1 THR 106 HG1 THR 106 -10.176 4.129 -5.172 825 HG21 THR 106 HG21 THR 106 -7.598 3.885 -3.459 826 HG22 THR 106 HG22 THR 106 -7.024 5.440 -4.091 827 HG23 THR 106 HG23 THR 106 -7.697 4.243 -5.209 828 H GLU 107 HN GLU 107 -9.489 7.072 -0.573 829 HA GLU 107 HA GLU 107 -10.763 8.585 0.478 830 HB2 GLU 107 HB2 GLU 107 -10.439 9.560 -2.342 831 HB3 GLU 107 HB3 GLU 107 -11.021 10.518 -0.978 832 HG2 GLU 107 HG2 GLU 107 -9.017 10.336 0.233 833 HG3 GLU 107 HG3 GLU 107 -8.361 9.099 -0.859 834 H ILE 108 HN ILE 108 -12.061 6.563 0.237 835 HA ILE 108 HA ILE 108 -14.610 6.294 -0.691 836 HB ILE 108 HB ILE 108 -14.419 5.855 2.268 837 HG12 ILE 108 HG12 ILE 108 -12.525 4.246 0.479 838 HG13 ILE 108 HG13 ILE 108 -12.016 5.437 1.681 839 HG21 ILE 108 HG21 ILE 108 -14.882 4.001 -0.129 840 HG22 ILE 108 HG22 ILE 108 -15.325 3.655 1.546 841 HG23 ILE 108 HG23 ILE 108 -16.166 4.931 0.667 842 HD11 ILE 108 HD11 ILE 108 -13.355 2.793 2.246 843 HD12 ILE 108 HD12 ILE 108 -11.786 3.404 2.789 844 HD13 ILE 108 HD13 ILE 108 -13.259 4.112 3.441 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -17.069 -8.199 2.336 2 HA2 GLY 1 HA2 GLY 1 -18.056 -6.333 0.275 3 HA3 GLY 1 HA1 GLY 1 -17.850 -8.066 0.018 4 H MET 2 HN MET 2 -19.251 -7.051 3.180 5 HA MET 2 HA MET 2 -21.923 -6.855 2.364 6 HB2 MET 2 HB2 MET 2 -21.828 -9.300 2.056 7 HB3 MET 2 HB3 MET 2 -20.993 -9.488 3.596 8 HG2 MET 2 HG2 MET 2 -23.325 -10.168 3.789 9 HG3 MET 2 HG3 MET 2 -22.991 -8.788 4.813 10 HE1 MET 2 HE1 MET 2 -25.872 -9.002 1.240 11 HE2 MET 2 HE2 MET 2 -24.228 -9.673 1.153 12 HE3 MET 2 HE3 MET 2 -25.398 -10.326 2.325 13 H GLY 3 HN GLY 3 -23.015 -5.939 4.200 14 HA2 GLY 3 HA2 GLY 3 -23.393 -5.466 6.442 15 HA3 GLY 3 HA1 GLY 3 -21.908 -6.321 6.895 16 H THR 4 HN THR 4 -22.119 -4.169 8.239 17 HA THR 4 HA THR 4 -21.361 -1.777 6.663 18 HB THR 4 HB THR 4 -22.870 -0.686 8.358 19 HG1 THR 4 HG1 THR 4 -22.861 -2.132 10.043 20 HG21 THR 4 HG21 THR 4 -24.953 -1.537 7.432 21 HG22 THR 4 HG22 THR 4 -24.170 -3.017 6.868 22 HG23 THR 4 HG23 THR 4 -23.741 -1.456 6.141 23 H THR 5 HN THR 5 -19.727 -3.695 8.826 24 HA THR 5 HA THR 5 -19.015 -1.714 10.732 25 HB THR 5 HB THR 5 -17.399 -4.204 10.502 26 HG1 THR 5 HG1 THR 5 -18.936 -5.519 10.366 27 HG21 THR 5 HG21 THR 5 -19.079 -3.078 12.773 28 HG22 THR 5 HG22 THR 5 -17.321 -2.859 12.548 29 HG23 THR 5 HG23 THR 5 -17.976 -4.473 12.875 30 H GLU 6 HN GLU 6 -17.932 -1.930 7.761 31 HA GLU 6 HA GLU 6 -15.057 -2.146 8.175 32 HB2 GLU 6 HB2 GLU 6 -14.955 -2.120 5.710 33 HB3 GLU 6 HB3 GLU 6 -15.915 -3.404 6.436 34 HG2 GLU 6 HG2 GLU 6 -18.018 -2.126 5.918 35 HG3 GLU 6 HG3 GLU 6 -17.046 -0.901 5.090 36 H LYS 7 HN LYS 7 -14.915 -0.217 9.468 37 HA LYS 7 HA LYS 7 -13.987 2.068 7.842 38 HB2 LYS 7 HB2 LYS 7 -15.608 2.466 10.386 39 HB3 LYS 7 HB3 LYS 7 -14.949 3.706 9.323 40 HG2 LYS 7 HG2 LYS 7 -16.524 2.932 7.516 41 HG3 LYS 7 HG3 LYS 7 -17.247 1.807 8.692 42 HD2 LYS 7 HD2 LYS 7 -17.738 3.748 10.205 43 HD3 LYS 7 HD3 LYS 7 -17.072 4.832 8.974 44 HE2 LYS 7 HE2 LYS 7 -18.721 3.807 7.342 45 HE3 LYS 7 HE3 LYS 7 -19.473 2.980 8.709 46 HZ1 LYS 7 HZ1 LYS 7 -19.290 5.901 8.277 47 HZ2 LYS 7 HZ2 LYS 7 -19.873 5.229 9.655 48 HZ3 LYS 7 HZ3 LYS 7 -20.642 4.947 8.228 49 H SER 8 HN SER 8 -12.282 3.211 8.912 50 HA SER 8 HA SER 8 -11.592 2.846 11.605 51 HB2 SER 8 HB2 SER 8 -10.739 0.659 10.086 52 HB3 SER 8 HB3 SER 8 -9.322 1.695 10.051 53 HG SER 8 HG SER 8 -9.243 1.611 12.298 54 H GLY 9 HN GLY 9 -9.410 4.010 12.051 55 HA2 GLY 9 HA2 GLY 9 -9.407 6.424 10.352 56 HA3 GLY 9 HA1 GLY 9 -8.888 6.285 12.039 57 H ILE 10 HN ILE 10 -7.755 3.916 9.864 58 HA ILE 10 HA ILE 10 -4.973 4.444 10.373 59 HB ILE 10 HB ILE 10 -6.019 2.567 8.250 60 HG12 ILE 10 HG12 ILE 10 -5.817 1.872 11.195 61 HG13 ILE 10 HG13 ILE 10 -7.353 2.247 10.433 62 HG21 ILE 10 HG21 ILE 10 -3.739 2.359 10.303 63 HG22 ILE 10 HG22 ILE 10 -4.047 1.264 8.947 64 HG23 ILE 10 HG23 ILE 10 -3.510 2.892 8.631 65 HD11 ILE 10 HD11 ILE 10 -7.223 0.409 8.924 66 HD12 ILE 10 HD12 ILE 10 -5.657 -0.109 9.602 67 HD13 ILE 10 HD13 ILE 10 -7.117 -0.138 10.601 68 H LYS 11 HN LYS 11 -3.414 5.101 9.018 69 HA LYS 11 HA LYS 11 -4.097 6.152 6.359 70 HB2 LYS 11 HB2 LYS 11 -2.557 7.795 8.389 71 HB3 LYS 11 HB3 LYS 11 -2.979 8.281 6.757 72 HG2 LYS 11 HG2 LYS 11 -5.031 7.753 8.955 73 HG3 LYS 11 HG3 LYS 11 -4.280 9.294 8.642 74 HD2 LYS 11 HD2 LYS 11 -5.294 9.540 6.499 75 HD3 LYS 11 HD3 LYS 11 -5.738 7.831 6.424 76 HE2 LYS 11 HE2 LYS 11 -7.732 9.089 6.922 77 HE3 LYS 11 HE3 LYS 11 -7.285 8.112 8.324 78 HZ1 LYS 11 HZ1 LYS 11 -6.254 10.195 9.241 79 HZ2 LYS 11 HZ2 LYS 11 -7.903 10.244 9.034 80 HZ3 LYS 11 HZ3 LYS 11 -6.964 11.034 8.000 81 H GLU 12 HN GLU 12 -2.760 3.705 7.092 82 HA GLU 12 HA GLU 12 -0.462 4.162 5.476 83 HB2 GLU 12 HB2 GLU 12 0.838 4.908 7.175 84 HB3 GLU 12 HB3 GLU 12 -0.013 4.022 8.438 85 HG2 GLU 12 HG2 GLU 12 1.307 2.150 8.204 86 HG3 GLU 12 HG3 GLU 12 1.801 2.514 6.554 87 H ILE 13 HN ILE 13 -0.700 2.437 4.124 88 HA ILE 13 HA ILE 13 -1.917 -0.020 5.221 89 HB ILE 13 HB ILE 13 -2.444 -0.611 2.915 90 HG12 ILE 13 HG12 ILE 13 -1.593 1.970 1.734 91 HG13 ILE 13 HG13 ILE 13 -0.278 0.843 2.087 92 HG21 ILE 13 HG21 ILE 13 -4.051 1.091 2.459 93 HG22 ILE 13 HG22 ILE 13 -3.995 0.753 4.183 94 HG23 ILE 13 HG23 ILE 13 -3.251 2.239 3.548 95 HD11 ILE 13 HD11 ILE 13 -2.753 0.002 0.574 96 HD12 ILE 13 HD12 ILE 13 -1.244 0.578 -0.190 97 HD13 ILE 13 HD13 ILE 13 -1.252 -0.900 0.814 98 H ILE 14 HN ILE 14 -1.173 -2.093 3.697 99 HA ILE 14 HA ILE 14 1.771 -2.152 3.586 100 HB ILE 14 HB ILE 14 -0.012 -4.081 5.114 101 HG12 ILE 14 HG12 ILE 14 2.195 -2.141 5.774 102 HG13 ILE 14 HG13 ILE 14 0.543 -2.192 6.403 103 HG21 ILE 14 HG21 ILE 14 2.039 -5.464 5.474 104 HG22 ILE 14 HG22 ILE 14 1.555 -5.442 3.782 105 HG23 ILE 14 HG23 ILE 14 2.903 -4.448 4.283 106 HD11 ILE 14 HD11 ILE 14 1.172 -4.298 7.623 107 HD12 ILE 14 HD12 ILE 14 2.858 -3.989 7.099 108 HD13 ILE 14 HD13 ILE 14 2.017 -2.807 8.106 109 H ILE 15 HN ILE 15 2.190 -2.530 1.532 110 HA ILE 15 HA ILE 15 0.501 -4.387 -0.059 111 HB ILE 15 HB ILE 15 3.150 -3.125 -0.802 112 HG12 ILE 15 HG12 ILE 15 1.683 -1.256 -0.367 113 HG13 ILE 15 HG13 ILE 15 2.059 -1.413 -2.061 114 HG21 ILE 15 HG21 ILE 15 0.907 -4.344 -2.506 115 HG22 ILE 15 HG22 ILE 15 2.470 -3.718 -3.102 116 HG23 ILE 15 HG23 ILE 15 2.413 -5.153 -2.089 117 HD11 ILE 15 HD11 ILE 15 -0.287 -0.815 -1.701 118 HD12 ILE 15 HD12 ILE 15 -0.156 -2.355 -2.525 119 HD13 ILE 15 HD13 ILE 15 -0.541 -2.333 -0.788 120 H GLN 16 HN GLN 16 0.808 -6.560 0.663 121 HA GLN 16 HA GLN 16 3.321 -7.313 1.888 122 HB2 GLN 16 HB2 GLN 16 0.836 -8.370 2.062 123 HB3 GLN 16 HB3 GLN 16 1.481 -9.383 0.761 124 HG2 GLN 16 HG2 GLN 16 3.415 -9.933 2.339 125 HG3 GLN 16 HG3 GLN 16 2.574 -8.982 3.584 126 HE21 GLN 16 HE21 GLN 16 1.988 -10.707 5.151 127 HE22 GLN 16 HE22 GLN 16 1.130 -12.085 4.539 128 H GLY 17 HN GLY 17 4.760 -9.039 0.881 129 HA2 GLY 17 HA2 GLY 17 4.890 -8.741 -2.114 130 HA3 GLY 17 HA1 GLY 17 6.277 -9.051 -1.105 131 H LEU 18 HN LEU 18 3.133 -10.615 -0.488 132 HA LEU 18 HA LEU 18 4.001 -13.203 -1.567 133 HB2 LEU 18 HB2 LEU 18 3.118 -12.334 1.096 134 HB3 LEU 18 HB3 LEU 18 1.869 -13.344 0.359 135 HG LEU 18 HG LEU 18 3.684 -15.079 -0.098 136 HD11 LEU 18 HD11 LEU 18 5.288 -13.371 1.858 137 HD12 LEU 18 HD12 LEU 18 5.648 -13.435 0.116 138 HD13 LEU 18 HD13 LEU 18 5.803 -14.884 1.113 139 HD21 LEU 18 HD21 LEU 18 3.730 -15.653 2.398 140 HD22 LEU 18 HD22 LEU 18 2.119 -15.235 1.742 141 HD23 LEU 18 HD23 LEU 18 3.024 -14.025 2.655 142 H THR 19 HN THR 19 2.416 -14.116 -2.907 143 HA THR 19 HA THR 19 0.408 -12.251 -3.887 144 HB THR 19 HB THR 19 0.063 -13.919 -5.613 145 HG1 THR 19 HG1 THR 19 1.266 -15.765 -5.677 146 HG21 THR 19 HG21 THR 19 2.230 -13.752 -6.690 147 HG22 THR 19 HG22 THR 19 3.063 -13.539 -5.135 148 HG23 THR 19 HG23 THR 19 1.986 -12.287 -5.753 149 H ARG 20 HN ARG 20 -1.860 -12.876 -4.095 150 HA ARG 20 HA ARG 20 -3.206 -14.027 -1.900 151 HB2 ARG 20 HB2 ARG 20 -5.119 -14.186 -3.436 152 HB3 ARG 20 HB3 ARG 20 -4.321 -12.616 -3.432 153 HG2 ARG 20 HG2 ARG 20 -3.108 -13.410 -5.539 154 HG3 ARG 20 HG3 ARG 20 -4.238 -14.762 -5.605 155 HD2 ARG 20 HD2 ARG 20 -5.171 -11.885 -5.371 156 HD3 ARG 20 HD3 ARG 20 -4.679 -12.533 -6.938 157 HE ARG 20 HE ARG 20 -6.475 -14.393 -6.013 158 HH11 ARG 20 HH11 ARG 20 -6.606 -10.913 -6.935 159 HH12 ARG 20 HH12 ARG 20 -8.297 -10.999 -7.309 160 HH21 ARG 20 HH21 ARG 20 -8.652 -14.443 -6.871 161 HH22 ARG 20 HH22 ARG 20 -9.466 -12.956 -7.158 162 H ALA 21 HN ALA 21 -1.475 -15.615 -4.425 163 HA ALA 21 HA ALA 21 -2.696 -18.248 -4.069 164 HB1 ALA 21 HB1 ALA 21 -0.873 -18.980 -5.590 165 HB2 ALA 21 HB2 ALA 21 -1.755 -17.590 -6.245 166 HB3 ALA 21 HB3 ALA 21 -0.148 -17.377 -5.501 167 H GLY 22 HN GLY 22 -0.526 -16.430 -2.159 168 HA2 GLY 22 HA2 GLY 22 0.254 -17.052 -0.134 169 HA3 GLY 22 HA1 GLY 22 0.167 -18.756 -0.564 170 H LYS 23 HN LYS 23 1.856 -16.992 -3.004 171 HA LYS 23 HA LYS 23 4.379 -18.267 -2.097 172 HB2 LYS 23 HB2 LYS 23 3.071 -17.696 -4.784 173 HB3 LYS 23 HB3 LYS 23 4.809 -17.852 -4.688 174 HG2 LYS 23 HG2 LYS 23 3.949 -19.984 -5.296 175 HG3 LYS 23 HG3 LYS 23 4.513 -20.103 -3.614 176 HD2 LYS 23 HD2 LYS 23 2.305 -20.125 -2.748 177 HD3 LYS 23 HD3 LYS 23 1.609 -19.561 -4.291 178 HE2 LYS 23 HE2 LYS 23 2.095 -21.664 -5.367 179 HE3 LYS 23 HE3 LYS 23 3.013 -22.236 -3.969 180 HZ1 LYS 23 HZ1 LYS 23 1.169 -22.573 -2.764 181 HZ2 LYS 23 HZ2 LYS 23 0.569 -22.938 -4.259 182 HZ3 LYS 23 HZ3 LYS 23 0.221 -21.485 -3.560 183 HA PRO 24 HA PRO 24 6.106 -14.195 -1.947 184 HB2 PRO 24 HB2 PRO 24 8.779 -14.638 -2.102 185 HB3 PRO 24 HB3 PRO 24 7.783 -15.163 -0.723 186 HG2 PRO 24 HG2 PRO 24 8.820 -16.830 -3.008 187 HG3 PRO 24 HG3 PRO 24 8.699 -17.267 -1.287 188 HD2 PRO 24 HD2 PRO 24 6.841 -17.912 -3.309 189 HD3 PRO 24 HD3 PRO 24 6.529 -17.985 -1.566 190 H PHE 25 HN PHE 25 6.607 -12.550 -3.379 191 HA PHE 25 HA PHE 25 6.367 -13.234 -6.219 192 HB2 PHE 25 HB2 PHE 25 5.019 -11.490 -5.176 193 HB3 PHE 25 HB3 PHE 25 6.464 -10.653 -4.615 194 HD1 PHE 25 HD2 PHE 25 5.368 -12.023 -8.006 195 HD2 PHE 25 HD1 PHE 25 6.629 -8.614 -5.669 196 HE1 PHE 25 HE2 PHE 25 5.506 -10.648 -10.055 197 HE2 PHE 25 HE1 PHE 25 6.724 -7.250 -7.710 198 HZ PHE 25 HZ PHE 25 6.230 -8.276 -9.925 199 H ARG 26 HN ARG 26 7.882 -11.973 -7.819 200 HA ARG 26 HA ARG 26 10.515 -11.447 -6.717 201 HB2 ARG 26 HB2 ARG 26 10.038 -13.275 -9.078 202 HB3 ARG 26 HB3 ARG 26 11.525 -12.415 -8.933 203 HG2 ARG 26 HG2 ARG 26 10.536 -14.303 -6.776 204 HG3 ARG 26 HG3 ARG 26 11.612 -14.770 -8.100 205 HD2 ARG 26 HD2 ARG 26 13.261 -13.036 -7.364 206 HD3 ARG 26 HD3 ARG 26 12.200 -12.624 -6.014 207 HE ARG 26 HE ARG 26 12.707 -14.558 -4.912 208 HH11 ARG 26 HH11 ARG 26 14.234 -14.729 -8.186 209 HH12 ARG 26 HH12 ARG 26 15.296 -16.025 -7.673 210 HH21 ARG 26 HH21 ARG 26 14.347 -16.161 -4.327 211 HH22 ARG 26 HH22 ARG 26 15.269 -16.872 -5.626 212 HA PRO 27 HA PRO 27 12.492 -10.725 -8.008 213 HB2 PRO 27 HB2 PRO 27 13.683 -8.244 -7.799 214 HB3 PRO 27 HB3 PRO 27 13.429 -9.058 -9.388 215 HG2 PRO 27 HG2 PRO 27 11.648 -6.978 -8.067 216 HG3 PRO 27 HG3 PRO 27 12.328 -6.946 -9.724 217 HD2 PRO 27 HD2 PRO 27 9.825 -7.895 -9.264 218 HD3 PRO 27 HD3 PRO 27 10.912 -8.706 -10.437 219 H SER 28 HN SER 28 13.686 -10.152 -5.824 220 HA SER 28 HA SER 28 11.868 -9.810 -3.610 221 HB2 SER 28 HB2 SER 28 14.218 -9.143 -2.527 222 HB3 SER 28 HB3 SER 28 13.813 -10.809 -2.943 223 HG SER 28 HG SER 28 15.465 -9.017 -4.473 224 H ASP 29 HN ASP 29 13.958 -7.735 -5.393 225 HA ASP 29 HA ASP 29 13.918 -5.442 -3.847 226 HB2 ASP 29 HB2 ASP 29 14.657 -5.917 -6.766 227 HB3 ASP 29 HB3 ASP 29 15.176 -4.532 -5.794 228 H TRP 30 HN TRP 30 11.264 -6.450 -5.528 229 HA TRP 30 HA TRP 30 10.452 -4.269 -7.126 230 HB2 TRP 30 HB2 TRP 30 8.270 -5.133 -6.945 231 HB3 TRP 30 HB3 TRP 30 9.345 -6.526 -6.921 232 HD1 TRP 30 HD1 TRP 30 9.178 -8.107 -4.690 233 HE1 TRP 30 HE1 TRP 30 7.777 -8.109 -2.655 234 HE3 TRP 30 HE3 TRP 30 6.906 -3.562 -5.357 235 HZ2 TRP 30 HZ2 TRP 30 5.532 -6.437 -1.529 236 HZ3 TRP 30 HZ3 TRP 30 5.145 -2.841 -3.800 237 HH2 TRP 30 HH2 TRP 30 4.532 -4.280 -1.841 238 H VAL 31 HN VAL 31 10.440 -4.707 -3.693 239 HA VAL 31 HA VAL 31 9.055 -2.531 -2.633 240 HB VAL 31 HB VAL 31 11.554 -4.072 -1.781 241 HG11 VAL 31 HG11 VAL 31 11.141 -2.054 -0.340 242 HG12 VAL 31 HG12 VAL 31 9.601 -2.781 0.157 243 HG13 VAL 31 HG13 VAL 31 11.127 -3.606 0.496 244 HG21 VAL 31 HG21 VAL 31 8.594 -4.607 -1.392 245 HG22 VAL 31 HG22 VAL 31 9.787 -5.642 -2.217 246 HG23 VAL 31 HG23 VAL 31 9.879 -5.429 -0.480 247 H ASP 32 HN ASP 32 12.480 -2.794 -3.689 248 HA ASP 32 HA ASP 32 13.143 -0.071 -2.881 249 HB2 ASP 32 HB2 ASP 32 14.650 -2.339 -4.173 250 HB3 ASP 32 HB3 ASP 32 15.328 -0.707 -4.069 251 H ARG 33 HN ARG 33 12.117 -1.799 -5.747 252 HA ARG 33 HA ARG 33 12.768 0.245 -7.703 253 HB2 ARG 33 HB2 ARG 33 10.518 -1.826 -7.778 254 HB3 ARG 33 HB3 ARG 33 10.949 -0.755 -9.096 255 HG2 ARG 33 HG2 ARG 33 13.285 -1.673 -9.030 256 HG3 ARG 33 HG3 ARG 33 12.746 -2.819 -7.820 257 HD2 ARG 33 HD2 ARG 33 12.661 -4.132 -9.685 258 HD3 ARG 33 HD3 ARG 33 10.986 -3.606 -9.549 259 HE ARG 33 HE ARG 33 11.203 -2.725 -11.654 260 HH11 ARG 33 HH11 ARG 33 14.524 -2.733 -10.269 261 HH12 ARG 33 HH12 ARG 33 15.214 -2.282 -11.806 262 HH21 ARG 33 HH21 ARG 33 12.195 -2.135 -13.577 263 HH22 ARG 33 HH22 ARG 33 13.848 -1.603 -13.569 264 H MET 34 HN MET 34 9.834 -0.304 -5.660 265 HA MET 34 HA MET 34 8.486 2.045 -6.537 266 HB2 MET 34 HB2 MET 34 8.452 0.941 -3.722 267 HB3 MET 34 HB3 MET 34 7.253 1.992 -4.457 268 HG2 MET 34 HG2 MET 34 7.770 -0.918 -5.048 269 HG3 MET 34 HG3 MET 34 6.301 -0.136 -4.516 270 HE1 MET 34 HE1 MET 34 5.408 -1.883 -6.428 271 HE2 MET 34 HE2 MET 34 4.417 -0.428 -6.131 272 HE3 MET 34 HE3 MET 34 4.740 -0.947 -7.795 273 H CYS 35 HN CYS 35 10.753 1.568 -3.824 274 HA CYS 35 HA CYS 35 10.823 4.091 -2.706 275 HB2 CYS 35 HB2 CYS 35 12.306 1.735 -2.514 276 HB3 CYS 35 HB3 CYS 35 13.516 2.882 -3.068 277 HG CYS 35 HG CYS 35 13.917 2.890 -0.688 278 H SER 36 HN SER 36 12.906 2.959 -5.401 279 HA SER 36 HA SER 36 14.065 5.514 -5.970 280 HB2 SER 36 HB2 SER 36 13.969 2.762 -7.110 281 HB3 SER 36 HB3 SER 36 14.436 4.038 -8.204 282 HG SER 36 HG SER 36 15.995 2.832 -6.545 283 H THR 37 HN THR 37 11.180 3.871 -7.379 284 HA THR 37 HA THR 37 11.004 5.680 -9.628 285 HB THR 37 HB THR 37 8.919 3.909 -8.281 286 HG1 THR 37 HG1 THR 37 10.784 2.871 -9.095 287 HG21 THR 37 HG21 THR 37 7.770 3.926 -10.487 288 HG22 THR 37 HG22 THR 37 8.905 5.169 -11.060 289 HG23 THR 37 HG23 THR 37 7.781 5.519 -9.726 290 H TYR 38 HN TYR 38 9.647 5.645 -6.330 291 HA TYR 38 HA TYR 38 8.149 8.137 -6.763 292 HB2 TYR 38 HB2 TYR 38 8.266 6.126 -4.498 293 HB3 TYR 38 HB3 TYR 38 7.352 7.617 -4.436 294 HD1 TYR 38 HD1 TYR 38 7.683 4.584 -6.672 295 HD2 TYR 38 HD2 TYR 38 5.089 7.596 -5.014 296 HE1 TYR 38 HE1 TYR 38 5.821 3.551 -7.827 297 HE2 TYR 38 HE2 TYR 38 3.161 6.510 -6.157 298 HH TYR 38 HH TYR 38 3.458 3.399 -7.801 299 H ALA 39 HN ALA 39 11.006 8.427 -7.029 300 HA ALA 39 HA ALA 39 11.609 10.130 -4.678 301 HB1 ALA 39 HB1 ALA 39 12.789 8.051 -4.274 302 HB2 ALA 39 HB2 ALA 39 13.438 8.047 -5.935 303 HB3 ALA 39 HB3 ALA 39 13.941 9.285 -4.778 304 H SER 40 HN SER 40 13.651 11.465 -5.223 305 HA SER 40 HA SER 40 13.671 12.371 -8.081 306 HB2 SER 40 HB2 SER 40 13.512 14.182 -5.634 307 HB3 SER 40 HB3 SER 40 13.482 14.670 -7.337 308 HG SER 40 HG SER 40 11.523 13.394 -5.748 309 H PHE 41 HN PHE 41 15.657 13.243 -8.773 310 HA PHE 41 HA PHE 41 18.062 12.949 -7.163 311 HB2 PHE 41 HB2 PHE 41 17.286 14.302 -9.757 312 HB3 PHE 41 HB3 PHE 41 18.763 14.784 -8.937 313 HD1 PHE 41 HD2 PHE 41 17.701 11.207 -8.816 314 HD2 PHE 41 HD1 PHE 41 20.112 14.125 -10.863 315 HE1 PHE 41 HE2 PHE 41 19.177 9.415 -9.604 316 HE2 PHE 41 HE1 PHE 41 21.579 12.309 -11.702 317 HZ PHE 41 HZ PHE 41 21.141 9.968 -11.057 318 H GLY 42 HN GLY 42 19.105 14.453 -5.884 319 HA2 GLY 42 HA2 GLY 42 17.761 17.094 -5.475 320 HA3 GLY 42 HA1 GLY 42 18.584 16.170 -4.216 321 H ALA 43 HN ALA 43 19.808 18.203 -4.073 322 HA ALA 43 HA ALA 43 21.335 19.401 -5.868 323 HB1 ALA 43 HB1 ALA 43 22.762 20.146 -3.974 324 HB2 ALA 43 HB2 ALA 43 21.062 20.098 -3.497 325 HB3 ALA 43 HB3 ALA 43 22.165 18.803 -2.987 326 H ASP 44 HN ASP 44 22.178 16.258 -4.570 327 HA ASP 44 HA ASP 44 24.984 16.372 -5.475 328 HB2 ASP 44 HB2 ASP 44 23.868 15.207 -3.333 329 HB3 ASP 44 HB3 ASP 44 23.625 13.879 -4.464 330 H ARG 45 HN ARG 45 22.021 15.729 -6.911 331 HA ARG 45 HA ARG 45 21.121 14.402 -8.456 332 HB2 ARG 45 HB2 ARG 45 23.798 14.973 -9.775 333 HB3 ARG 45 HB3 ARG 45 22.505 14.117 -10.580 334 HG2 ARG 45 HG2 ARG 45 21.714 16.117 -11.224 335 HG3 ARG 45 HG3 ARG 45 21.079 16.260 -9.596 336 HD2 ARG 45 HD2 ARG 45 22.193 18.230 -9.712 337 HD3 ARG 45 HD3 ARG 45 23.520 17.245 -9.082 338 HE ARG 45 HE ARG 45 23.636 17.029 -11.875 339 HH11 ARG 45 HH11 ARG 45 24.142 19.524 -9.430 340 HH12 ARG 45 HH12 ARG 45 24.426 20.785 -10.591 341 HH21 ARG 45 HH21 ARG 45 24.230 18.732 -13.406 342 HH22 ARG 45 HH22 ARG 45 24.768 20.265 -12.801 343 H LYS 46 HN LYS 46 21.424 12.917 -6.471 344 HA LYS 46 HA LYS 46 22.231 10.268 -7.541 345 HB2 LYS 46 HB2 LYS 46 24.059 11.545 -6.118 346 HB3 LYS 46 HB3 LYS 46 22.941 11.337 -4.781 347 HG2 LYS 46 HG2 LYS 46 24.067 9.391 -4.427 348 HG3 LYS 46 HG3 LYS 46 23.082 8.735 -5.736 349 HD2 LYS 46 HD2 LYS 46 24.914 9.430 -7.354 350 HD3 LYS 46 HD3 LYS 46 25.904 9.832 -5.925 351 HE2 LYS 46 HE2 LYS 46 25.440 7.491 -5.060 352 HE3 LYS 46 HE3 LYS 46 24.680 7.123 -6.615 353 HZ1 LYS 46 HZ1 LYS 46 26.935 6.401 -6.616 354 HZ2 LYS 46 HZ2 LYS 46 27.506 7.876 -6.185 355 HZ3 LYS 46 HZ3 LYS 46 26.823 7.648 -7.664 356 H LEU 47 HN LEU 47 19.632 11.053 -7.491 357 HA LEU 47 HA LEU 47 17.614 10.927 -6.569 358 HB2 LEU 47 HB2 LEU 47 19.017 8.308 -6.267 359 HB3 LEU 47 HB3 LEU 47 17.665 8.538 -5.294 360 HG LEU 47 HG LEU 47 17.727 8.564 -8.299 361 HD11 LEU 47 HD11 LEU 47 17.788 6.359 -7.256 362 HD12 LEU 47 HD12 LEU 47 16.234 6.640 -8.066 363 HD13 LEU 47 HD13 LEU 47 16.344 6.743 -6.298 364 HD21 LEU 47 HD21 LEU 47 15.496 9.352 -6.441 365 HD22 LEU 47 HD22 LEU 47 15.174 8.719 -8.077 366 HD23 LEU 47 HD23 LEU 47 16.108 10.197 -7.872 367 H ARG 48 HN ARG 48 16.365 10.192 -4.340 368 HA ARG 48 HA ARG 48 17.451 10.506 -1.781 369 HB2 ARG 48 HB2 ARG 48 16.642 12.996 -3.254 370 HB3 ARG 48 HB3 ARG 48 15.826 12.757 -1.724 371 HG2 ARG 48 HG2 ARG 48 17.746 12.899 -0.433 372 HG3 ARG 48 HG3 ARG 48 18.834 12.522 -1.784 373 HD2 ARG 48 HD2 ARG 48 18.232 14.599 -2.896 374 HD3 ARG 48 HD3 ARG 48 17.120 15.026 -1.577 375 HE ARG 48 HE ARG 48 19.888 14.445 -0.794 376 HH11 ARG 48 HH11 ARG 48 17.709 17.168 -1.613 377 HH12 ARG 48 HH12 ARG 48 18.545 18.283 -0.586 378 HH21 ARG 48 HH21 ARG 48 20.979 15.860 0.436 379 HH22 ARG 48 HH22 ARG 48 20.491 17.521 0.609 380 H TYR 49 HN TYR 49 16.005 9.084 -0.893 381 HA TYR 49 HA TYR 49 13.487 8.535 -2.142 382 HB2 TYR 49 HB2 TYR 49 14.439 7.902 0.663 383 HB3 TYR 49 HB3 TYR 49 13.058 7.149 -0.136 384 HD1 TYR 49 HD1 TYR 49 13.761 6.213 -2.640 385 HD2 TYR 49 HD2 TYR 49 16.325 6.535 0.804 386 HE1 TYR 49 HE1 TYR 49 15.374 4.612 -3.695 387 HE2 TYR 49 HE2 TYR 49 17.836 4.852 -0.168 388 HH TYR 49 HH TYR 49 18.272 3.438 -1.913 389 H SER 50 HN SER 50 11.436 8.754 -1.225 390 HA SER 50 HA SER 50 10.830 11.204 0.295 391 HB2 SER 50 HB2 SER 50 9.155 8.921 -0.856 392 HB3 SER 50 HB3 SER 50 8.491 10.404 -0.173 393 HG SER 50 HG SER 50 9.916 11.500 -1.798 394 HA PRO 51 HA PRO 51 10.361 8.874 4.075 395 HB2 PRO 51 HB2 PRO 51 8.414 10.230 5.426 396 HB3 PRO 51 HB3 PRO 51 10.052 10.881 5.155 397 HG2 PRO 51 HG2 PRO 51 7.535 11.414 3.556 398 HG3 PRO 51 HG3 PRO 51 8.715 12.607 4.170 399 HD2 PRO 51 HD2 PRO 51 8.772 11.704 1.610 400 HD3 PRO 51 HD3 PRO 51 10.272 12.089 2.507 401 H TYR 52 HN TYR 52 7.708 9.152 1.797 402 HA TYR 52 HA TYR 52 5.717 8.088 3.526 403 HB2 TYR 52 HB2 TYR 52 5.653 8.561 0.520 404 HB3 TYR 52 HB3 TYR 52 4.254 8.375 1.568 405 HD1 TYR 52 HD1 TYR 52 4.604 10.032 3.867 406 HD2 TYR 52 HD2 TYR 52 5.813 10.814 -0.213 407 HE1 TYR 52 HE1 TYR 52 4.608 12.378 4.345 408 HE2 TYR 52 HE2 TYR 52 5.791 13.232 0.276 409 HH TYR 52 HH TYR 52 5.302 14.478 3.640 410 H LEU 53 HN LEU 53 8.082 6.197 2.460 411 HA LEU 53 HA LEU 53 6.451 3.840 1.793 412 HB2 LEU 53 HB2 LEU 53 7.789 5.695 -0.132 413 HB3 LEU 53 HB3 LEU 53 8.277 4.034 -0.329 414 HG LEU 53 HG LEU 53 5.285 4.687 -0.133 415 HD11 LEU 53 HD11 LEU 53 6.263 6.202 -1.862 416 HD12 LEU 53 HD12 LEU 53 5.247 4.959 -2.582 417 HD13 LEU 53 HD13 LEU 53 7.015 4.808 -2.662 418 HD21 LEU 53 HD21 LEU 53 6.064 2.339 -0.018 419 HD22 LEU 53 HD22 LEU 53 6.895 2.521 -1.577 420 HD23 LEU 53 HD23 LEU 53 5.125 2.637 -1.469 421 H LYS 54 HN LYS 54 7.500 2.296 3.040 422 HA LYS 54 HA LYS 54 10.406 2.117 2.869 423 HB2 LYS 54 HB2 LYS 54 8.961 2.671 5.505 424 HB3 LYS 54 HB3 LYS 54 10.466 1.757 5.464 425 HG2 LYS 54 HG2 LYS 54 11.396 3.720 4.015 426 HG3 LYS 54 HG3 LYS 54 10.024 4.633 4.657 427 HD2 LYS 54 HD2 LYS 54 12.192 3.234 6.302 428 HD3 LYS 54 HD3 LYS 54 12.169 4.934 5.846 429 HE2 LYS 54 HE2 LYS 54 9.663 4.549 7.050 430 HE3 LYS 54 HE3 LYS 54 10.749 3.555 8.036 431 HZ1 LYS 54 HZ1 LYS 54 10.681 5.849 8.857 432 HZ2 LYS 54 HZ2 LYS 54 11.017 6.401 7.368 433 HZ3 LYS 54 HZ3 LYS 54 12.180 5.582 8.185 434 HA PRO 55 HA PRO 55 9.380 -2.201 3.103 435 HB2 PRO 55 HB2 PRO 55 11.680 -3.342 4.034 436 HB3 PRO 55 HB3 PRO 55 11.583 -2.554 2.440 437 HG2 PRO 55 HG2 PRO 55 12.538 -1.284 5.029 438 HG3 PRO 55 HG3 PRO 55 13.415 -1.365 3.464 439 HD2 PRO 55 HD2 PRO 55 11.969 0.805 4.132 440 HD3 PRO 55 HD3 PRO 55 11.907 0.185 2.461 441 H ARG 56 HN ARG 56 9.434 -4.093 4.709 442 HA ARG 56 HA ARG 56 9.485 -3.423 7.560 443 HB2 ARG 56 HB2 ARG 56 7.017 -4.230 6.003 444 HB3 ARG 56 HB3 ARG 56 7.260 -4.943 7.573 445 HG2 ARG 56 HG2 ARG 56 7.680 -2.428 8.358 446 HG3 ARG 56 HG3 ARG 56 6.740 -2.058 6.896 447 HD2 ARG 56 HD2 ARG 56 5.036 -3.770 7.750 448 HD3 ARG 56 HD3 ARG 56 5.976 -3.861 9.233 449 HE ARG 56 HE ARG 56 5.155 -1.143 8.612 450 HH11 ARG 56 HH11 ARG 56 3.992 -4.223 9.957 451 HH12 ARG 56 HH12 ARG 56 2.778 -3.503 10.936 452 HH21 ARG 56 HH21 ARG 56 3.637 -0.171 10.006 453 HH22 ARG 56 HH22 ARG 56 2.712 -1.134 11.137 454 H VAL 57 HN VAL 57 8.854 -5.858 8.586 455 HA VAL 57 HA VAL 57 9.556 -7.940 6.740 456 HB VAL 57 HB VAL 57 10.976 -7.838 9.428 457 HG11 VAL 57 HG11 VAL 57 10.967 -10.009 7.290 458 HG12 VAL 57 HG12 VAL 57 11.949 -9.992 8.777 459 HG13 VAL 57 HG13 VAL 57 10.207 -10.118 8.890 460 HG21 VAL 57 HG21 VAL 57 12.060 -7.633 6.593 461 HG22 VAL 57 HG22 VAL 57 12.237 -6.469 7.909 462 HG23 VAL 57 HG23 VAL 57 13.072 -8.021 8.007 463 H ILE 58 HN ILE 58 7.738 -9.115 6.758 464 HA ILE 58 HA ILE 58 6.281 -9.545 9.324 465 HB ILE 58 HB ILE 58 5.028 -9.337 6.551 466 HG12 ILE 58 HG12 ILE 58 5.817 -7.092 7.186 467 HG13 ILE 58 HG13 ILE 58 4.072 -7.227 7.087 468 HG21 ILE 58 HG21 ILE 58 3.835 -9.644 9.324 469 HG22 ILE 58 HG22 ILE 58 2.901 -9.273 7.861 470 HG23 ILE 58 HG23 ILE 58 3.785 -10.797 7.982 471 HD11 ILE 58 HD11 ILE 58 3.919 -7.383 9.540 472 HD12 ILE 58 HD12 ILE 58 5.682 -7.218 9.661 473 HD13 ILE 58 HD13 ILE 58 4.696 -5.886 9.009 474 H GLU 59 HN GLU 59 6.647 -11.700 9.802 475 HA GLU 59 HA GLU 59 6.961 -13.977 9.495 476 HB2 GLU 59 HB2 GLU 59 5.030 -13.378 7.246 477 HB3 GLU 59 HB3 GLU 59 5.377 -14.991 7.851 478 HG2 GLU 59 HG2 GLU 59 4.403 -14.535 9.967 479 HG3 GLU 59 HG3 GLU 59 4.460 -12.794 9.733 480 H GLY 60 HN GLY 60 8.806 -12.126 8.102 481 HA2 GLY 60 HA2 GLY 60 10.918 -12.666 7.199 482 HA3 GLY 60 HA1 GLY 60 10.252 -14.099 6.428 483 H VAL 61 HN VAL 61 7.904 -11.998 5.503 484 HA VAL 61 HA VAL 61 9.020 -11.676 2.895 485 HB VAL 61 HB VAL 61 6.577 -11.963 3.683 486 HG11 VAL 61 HG11 VAL 61 5.227 -10.185 4.052 487 HG12 VAL 61 HG12 VAL 61 6.695 -9.735 4.977 488 HG13 VAL 61 HG13 VAL 61 6.401 -9.022 3.406 489 HG21 VAL 61 HG21 VAL 61 7.137 -11.858 1.345 490 HG22 VAL 61 HG22 VAL 61 5.673 -10.930 1.669 491 HG23 VAL 61 HG23 VAL 61 7.235 -10.083 1.394 492 H ARG 62 HN ARG 62 9.297 -9.555 1.817 493 HA ARG 62 HA ARG 62 10.659 -7.533 3.502 494 HB2 ARG 62 HB2 ARG 62 9.898 -7.620 0.577 495 HB3 ARG 62 HB3 ARG 62 10.781 -6.289 1.298 496 HG2 ARG 62 HG2 ARG 62 11.876 -9.122 1.423 497 HG3 ARG 62 HG3 ARG 62 11.999 -8.160 -0.054 498 HD2 ARG 62 HD2 ARG 62 14.016 -7.795 1.014 499 HD3 ARG 62 HD3 ARG 62 13.074 -6.324 1.317 500 HE ARG 62 HE ARG 62 12.717 -8.256 3.426 501 HH11 ARG 62 HH11 ARG 62 14.876 -5.645 2.382 502 HH12 ARG 62 HH12 ARG 62 16.045 -5.905 3.646 503 HH21 ARG 62 HH21 ARG 62 13.974 -8.335 5.249 504 HH22 ARG 62 HH22 ARG 62 15.418 -7.369 5.440 505 H CYS 63 HN CYS 63 7.530 -7.799 1.828 506 HA CYS 63 HA CYS 63 5.648 -6.515 1.801 507 HB2 CYS 63 HB2 CYS 63 6.672 -6.180 4.594 508 HB3 CYS 63 HB3 CYS 63 5.516 -4.952 4.037 509 HG CYS 63 HG CYS 63 4.098 -6.544 5.315 510 H LEU 64 HN LEU 64 4.889 -4.054 1.941 511 HA LEU 64 HA LEU 64 7.087 -2.134 2.044 512 HB2 LEU 64 HB2 LEU 64 5.624 -2.767 -0.385 513 HB3 LEU 64 HB3 LEU 64 5.041 -1.219 0.198 514 HG LEU 64 HG LEU 64 7.824 -2.027 -0.636 515 HD11 LEU 64 HD11 LEU 64 7.580 -0.309 -2.269 516 HD12 LEU 64 HD12 LEU 64 5.979 0.147 -1.634 517 HD13 LEU 64 HD13 LEU 64 6.238 -1.442 -2.383 518 HD21 LEU 64 HD21 LEU 64 8.455 0.448 -0.225 519 HD22 LEU 64 HD22 LEU 64 8.406 -0.619 1.173 520 HD23 LEU 64 HD23 LEU 64 7.056 0.497 0.863 521 H ALA 65 HN ALA 65 6.379 -0.487 3.415 522 HA ALA 65 HA ALA 65 3.574 -0.422 4.408 523 HB1 ALA 65 HB1 ALA 65 6.027 1.328 4.954 524 HB2 ALA 65 HB2 ALA 65 4.453 1.456 5.751 525 HB3 ALA 65 HB3 ALA 65 5.446 -0.007 5.979 526 H VAL 66 HN VAL 66 2.525 1.977 4.104 527 HA VAL 66 HA VAL 66 4.056 3.683 2.312 528 HB VAL 66 HB VAL 66 2.138 2.246 1.051 529 HG11 VAL 66 HG11 VAL 66 0.378 3.003 2.551 530 HG12 VAL 66 HG12 VAL 66 0.569 4.618 1.816 531 HG13 VAL 66 HG13 VAL 66 0.111 3.230 0.795 532 HG21 VAL 66 HG21 VAL 66 1.777 4.197 -0.558 533 HG22 VAL 66 HG22 VAL 66 2.806 5.168 0.522 534 HG23 VAL 66 HG23 VAL 66 3.426 3.690 -0.277 535 H ASP 67 HN ASP 67 3.372 5.952 2.844 536 HA ASP 67 HA ASP 67 1.647 6.259 5.278 537 HB2 ASP 67 HB2 ASP 67 3.917 7.365 5.258 538 HB3 ASP 67 HB3 ASP 67 3.417 8.247 3.823 539 H LEU 68 HN LEU 68 -0.455 6.969 4.907 540 HA LEU 68 HA LEU 68 -1.363 7.359 2.226 541 HB2 LEU 68 HB2 LEU 68 -2.573 6.903 4.760 542 HB3 LEU 68 HB3 LEU 68 -3.328 8.303 4.062 543 HG LEU 68 HG LEU 68 -2.846 5.669 2.669 544 HD11 LEU 68 HD11 LEU 68 -4.400 5.181 4.431 545 HD12 LEU 68 HD12 LEU 68 -5.368 5.319 2.961 546 HD13 LEU 68 HD13 LEU 68 -5.340 6.670 4.104 547 HD21 LEU 68 HD21 LEU 68 -4.645 6.497 1.055 548 HD22 LEU 68 HD22 LEU 68 -3.192 7.511 1.039 549 HD23 LEU 68 HD23 LEU 68 -4.636 8.042 1.916 550 H LYS 69 HN LYS 69 0.323 9.500 4.221 551 HA LYS 69 HA LYS 69 -0.966 11.960 3.526 552 HB2 LYS 69 HB2 LYS 69 0.904 11.456 5.280 553 HB3 LYS 69 HB3 LYS 69 2.038 11.736 3.973 554 HG2 LYS 69 HG2 LYS 69 -0.116 13.720 4.847 555 HG3 LYS 69 HG3 LYS 69 1.484 13.691 5.562 556 HD2 LYS 69 HD2 LYS 69 2.496 14.684 3.750 557 HD3 LYS 69 HD3 LYS 69 1.466 13.811 2.639 558 HE2 LYS 69 HE2 LYS 69 0.665 15.838 2.169 559 HE3 LYS 69 HE3 LYS 69 -0.456 15.358 3.446 560 HZ1 LYS 69 HZ1 LYS 69 1.850 17.180 3.656 561 HZ2 LYS 69 HZ2 LYS 69 1.119 16.565 4.989 562 HZ3 LYS 69 HZ3 LYS 69 0.262 17.504 3.935 563 H LEU 70 HN LEU 70 1.374 9.956 1.689 564 HA LEU 70 HA LEU 70 2.095 11.809 -0.314 565 HB2 LEU 70 HB2 LEU 70 3.235 9.827 -0.101 566 HB3 LEU 70 HB3 LEU 70 1.834 8.809 -0.201 567 HG LEU 70 HG LEU 70 1.741 9.818 -2.722 568 HD11 LEU 70 HD11 LEU 70 4.126 10.243 -3.538 569 HD12 LEU 70 HD12 LEU 70 4.745 9.466 -2.042 570 HD13 LEU 70 HD13 LEU 70 4.012 11.078 -2.037 571 HD21 LEU 70 HD21 LEU 70 3.436 7.489 -1.768 572 HD22 LEU 70 HD22 LEU 70 2.941 7.780 -3.447 573 HD23 LEU 70 HD23 LEU 70 1.719 7.472 -2.202 574 H LYS 71 HN LYS 71 -0.969 10.052 0.080 575 HA LYS 71 HA LYS 71 -2.112 10.570 -2.526 576 HB2 LYS 71 HB2 LYS 71 -2.906 8.886 -0.836 577 HB3 LYS 71 HB3 LYS 71 -3.328 10.190 0.259 578 HG2 LYS 71 HG2 LYS 71 -5.268 9.270 -0.567 579 HG3 LYS 71 HG3 LYS 71 -5.141 10.928 -1.154 580 HD2 LYS 71 HD2 LYS 71 -4.673 10.216 -3.366 581 HD3 LYS 71 HD3 LYS 71 -4.200 8.601 -2.862 582 HE2 LYS 71 HE2 LYS 71 -6.489 8.888 -4.028 583 HE3 LYS 71 HE3 LYS 71 -6.378 7.868 -2.586 584 HZ1 LYS 71 HZ1 LYS 71 -7.417 9.435 -1.304 585 HZ2 LYS 71 HZ2 LYS 71 -8.317 9.375 -2.629 586 HZ3 LYS 71 HZ3 LYS 71 -7.318 10.669 -2.402 587 H ASP 72 HN ASP 72 -1.701 12.714 0.225 588 HA ASP 72 HA ASP 72 -3.713 14.686 -0.429 589 HB2 ASP 72 HB2 ASP 72 -2.569 14.636 1.727 590 HB3 ASP 72 HB3 ASP 72 -1.002 14.802 0.950 591 H THR 73 HN THR 73 -0.351 14.112 -1.362 592 HA THR 73 HA THR 73 -0.290 16.664 -2.831 593 HB THR 73 HB THR 73 1.164 16.218 -0.869 594 HG1 THR 73 HG1 THR 73 2.918 17.165 -1.778 595 HG21 THR 73 HG21 THR 73 1.748 13.859 -1.265 596 HG22 THR 73 HG22 THR 73 3.212 14.862 -1.257 597 HG23 THR 73 HG23 THR 73 2.535 14.317 -2.781 598 H ASN 74 HN ASN 74 0.234 13.159 -3.462 599 HA ASN 74 HA ASN 74 0.294 13.762 -6.364 600 HB2 ASN 74 HB2 ASN 74 2.331 12.157 -6.601 601 HB3 ASN 74 HB3 ASN 74 2.702 13.490 -5.526 602 HD21 ASN 74 HD21 ASN 74 2.172 10.207 -6.052 603 HD22 ASN 74 HD22 ASN 74 2.728 9.678 -4.475 604 HA PRO 75 HA PRO 75 -2.544 10.483 -4.732 605 HB2 PRO 75 HB2 PRO 75 -4.887 11.202 -6.140 606 HB3 PRO 75 HB3 PRO 75 -4.368 11.969 -4.599 607 HG2 PRO 75 HG2 PRO 75 -3.774 12.989 -7.383 608 HG3 PRO 75 HG3 PRO 75 -4.548 13.862 -6.022 609 HD2 PRO 75 HD2 PRO 75 -1.898 14.107 -6.366 610 HD3 PRO 75 HD3 PRO 75 -2.513 13.794 -4.726 611 H GLU 76 HN GLU 76 -1.825 11.465 -8.057 612 HA GLU 76 HA GLU 76 -2.837 9.165 -9.459 613 HB2 GLU 76 HB2 GLU 76 -2.109 11.451 -10.329 614 HB3 GLU 76 HB3 GLU 76 -0.432 10.954 -10.078 615 HG2 GLU 76 HG2 GLU 76 -0.492 9.331 -11.748 616 HG3 GLU 76 HG3 GLU 76 -2.260 9.292 -11.772 617 H GLY 77 HN GLY 77 0.205 9.982 -7.874 618 HA2 GLY 77 HA2 GLY 77 1.702 7.590 -8.444 619 HA3 GLY 77 HA1 GLY 77 1.938 8.642 -7.054 620 H PHE 78 HN PHE 78 -0.510 8.461 -5.705 621 HA PHE 78 HA PHE 78 -0.187 5.961 -4.358 622 HB2 PHE 78 HB2 PHE 78 -1.109 8.068 -3.388 623 HB3 PHE 78 HB3 PHE 78 -2.598 7.776 -4.265 624 HD1 PHE 78 HD1 PHE 78 -0.261 6.402 -1.730 625 HD2 PHE 78 HD2 PHE 78 -4.212 6.088 -3.404 626 HE1 PHE 78 HE1 PHE 78 -0.998 5.076 0.236 627 HE2 PHE 78 HE2 PHE 78 -4.910 4.686 -1.502 628 HZ PHE 78 HZ PHE 78 -3.296 4.191 0.350 629 H ASN 79 HN ASN 79 -2.522 7.020 -6.828 630 HA ASN 79 HA ASN 79 -4.158 4.686 -6.946 631 HB2 ASN 79 HB2 ASN 79 -3.476 6.899 -8.882 632 HB3 ASN 79 HB3 ASN 79 -4.436 5.556 -9.442 633 HD21 ASN 79 HD21 ASN 79 -5.053 8.553 -8.887 634 HD22 ASN 79 HD22 ASN 79 -6.383 8.532 -7.765 635 H GLN 80 HN GLN 80 -1.206 5.547 -8.875 636 HA GLN 80 HA GLN 80 -1.026 3.096 -10.279 637 HB2 GLN 80 HB2 GLN 80 1.028 5.120 -9.327 638 HB3 GLN 80 HB3 GLN 80 1.492 3.695 -10.236 639 HG2 GLN 80 HG2 GLN 80 -0.356 5.928 -11.142 640 HG3 GLN 80 HG3 GLN 80 1.320 5.680 -11.619 641 HE21 GLN 80 HE21 GLN 80 -1.736 5.316 -12.779 642 HE22 GLN 80 HE22 GLN 80 -1.427 3.918 -13.785 643 H LEU 81 HN LEU 81 0.323 3.988 -7.048 644 HA LEU 81 HA LEU 81 1.697 1.561 -6.592 645 HB2 LEU 81 HB2 LEU 81 1.337 3.912 -5.191 646 HB3 LEU 81 HB3 LEU 81 0.267 2.854 -4.278 647 HG LEU 81 HG LEU 81 2.856 1.573 -4.810 648 HD11 LEU 81 HD11 LEU 81 3.637 3.920 -4.756 649 HD12 LEU 81 HD12 LEU 81 4.288 2.913 -3.474 650 HD13 LEU 81 HD13 LEU 81 2.983 4.076 -3.112 651 HD21 LEU 81 HD21 LEU 81 1.283 0.785 -3.058 652 HD22 LEU 81 HD22 LEU 81 1.482 2.323 -2.196 653 HD23 LEU 81 HD23 LEU 81 2.859 1.241 -2.352 654 H MET 82 HN MET 82 -1.679 2.421 -5.792 655 HA MET 82 HA MET 82 -2.428 -0.017 -4.561 656 HB2 MET 82 HB2 MET 82 -4.091 1.802 -6.359 657 HB3 MET 82 HB3 MET 82 -4.748 0.537 -5.354 658 HG2 MET 82 HG2 MET 82 -3.094 2.575 -3.930 659 HG3 MET 82 HG3 MET 82 -4.592 3.128 -4.652 660 HE1 MET 82 HE1 MET 82 -2.937 0.782 -2.033 661 HE2 MET 82 HE2 MET 82 -3.362 2.345 -1.297 662 HE3 MET 82 HE3 MET 82 -4.159 0.867 -0.755 663 H HIS 83 HN HIS 83 -2.514 0.912 -8.056 664 HA HIS 83 HA HIS 83 -3.605 -1.448 -9.015 665 HB2 HIS 83 HB2 HIS 83 -3.120 0.683 -10.304 666 HB3 HIS 83 HB3 HIS 83 -1.448 0.160 -10.461 667 HD1 HIS 83 HD1 HIS 83 -1.493 -0.267 -13.142 668 HD2 HIS 83 HD2 HIS 83 -4.258 -2.472 -10.822 669 HE1 HIS 83 HE1 HIS 83 -2.617 -1.870 -14.701 670 H PHE 84 HN PHE 84 -0.170 -0.777 -8.390 671 HA PHE 84 HA PHE 84 0.949 -3.040 -9.631 672 HB2 PHE 84 HB2 PHE 84 2.230 -1.154 -8.773 673 HB3 PHE 84 HB3 PHE 84 1.946 -1.660 -7.124 674 HD1 PHE 84 HD2 PHE 84 2.997 -3.755 -6.266 675 HD2 PHE 84 HD1 PHE 84 3.814 -2.214 -10.192 676 HE1 PHE 84 HE2 PHE 84 4.957 -5.291 -6.448 677 HE2 PHE 84 HE1 PHE 84 5.836 -3.670 -10.342 678 HZ PHE 84 HZ PHE 84 6.388 -5.218 -8.502 679 H ALA 85 HN ALA 85 -0.718 -2.823 -6.521 680 HA ALA 85 HA ALA 85 0.057 -5.440 -5.539 681 HB1 ALA 85 HB1 ALA 85 -0.942 -3.734 -4.059 682 HB2 ALA 85 HB2 ALA 85 -2.477 -3.865 -4.943 683 HB3 ALA 85 HB3 ALA 85 -1.833 -5.262 -4.059 684 H THR 86 HN THR 86 -2.866 -4.279 -7.386 685 HA THR 86 HA THR 86 -4.008 -6.843 -7.563 686 HB THR 86 HB THR 86 -4.432 -4.694 -9.659 687 HG1 THR 86 HG1 THR 86 -5.612 -4.308 -7.145 688 HG21 THR 86 HG21 THR 86 -6.395 -6.308 -7.972 689 HG22 THR 86 HG22 THR 86 -5.919 -6.661 -9.647 690 HG23 THR 86 HG23 THR 86 -6.810 -5.174 -9.283 691 H GLU 87 HN GLU 87 -1.786 -5.059 -9.641 692 HA GLU 87 HA GLU 87 -1.516 -6.702 -11.911 693 HB2 GLU 87 HB2 GLU 87 0.201 -4.834 -10.318 694 HB3 GLU 87 HB3 GLU 87 0.998 -5.794 -11.548 695 HG2 GLU 87 HG2 GLU 87 -1.401 -4.038 -12.160 696 HG3 GLU 87 HG3 GLU 87 0.245 -3.394 -12.095 697 H ASN 88 HN ASN 88 0.631 -6.930 -8.825 698 HA ASN 88 HA ASN 88 1.527 -9.422 -10.109 699 HB2 ASN 88 HB2 ASN 88 2.616 -7.379 -8.232 700 HB3 ASN 88 HB3 ASN 88 3.350 -8.987 -8.278 701 HD21 ASN 88 HD21 ASN 88 3.339 -5.848 -9.564 702 HD22 ASN 88 HD22 ASN 88 3.793 -6.129 -11.220 703 H GLN 89 HN GLN 89 -0.805 -8.528 -8.017 704 HA GLN 89 HA GLN 89 -2.513 -9.773 -7.272 705 HB2 GLN 89 HB2 GLN 89 -0.817 -12.304 -7.561 706 HB3 GLN 89 HB3 GLN 89 -2.545 -12.170 -7.265 707 HG2 GLN 89 HG2 GLN 89 -2.895 -12.349 -9.431 708 HG3 GLN 89 HG3 GLN 89 -2.256 -10.739 -9.633 709 HE21 GLN 89 HE21 GLN 89 -0.369 -10.530 -10.862 710 HE22 GLN 89 HE22 GLN 89 0.646 -11.820 -11.388 711 H LEU 90 HN LEU 90 -0.088 -8.580 -5.684 712 HA LEU 90 HA LEU 90 0.413 -10.268 -3.583 713 HB2 LEU 90 HB2 LEU 90 0.450 -7.250 -3.653 714 HB3 LEU 90 HB3 LEU 90 1.368 -8.349 -2.626 715 HG LEU 90 HG LEU 90 2.885 -7.848 -4.219 716 HD11 LEU 90 HD11 LEU 90 2.838 -10.233 -4.139 717 HD12 LEU 90 HD12 LEU 90 3.513 -9.557 -5.641 718 HD13 LEU 90 HD13 LEU 90 1.871 -10.186 -5.626 719 HD21 LEU 90 HD21 LEU 90 1.202 -7.482 -6.455 720 HD22 LEU 90 HD22 LEU 90 2.999 -7.261 -6.221 721 HD23 LEU 90 HD23 LEU 90 1.896 -6.290 -5.300 722 H ASN 91 HN ASN 91 -0.220 -10.217 -1.444 723 HA ASN 91 HA ASN 91 -3.024 -9.697 -0.912 724 HB2 ASN 91 HB2 ASN 91 -1.359 -11.415 0.191 725 HB3 ASN 91 HB3 ASN 91 -0.865 -10.053 1.191 726 HD21 ASN 91 HD21 ASN 91 -1.961 -12.240 2.401 727 HD22 ASN 91 HD22 ASN 91 -3.673 -12.041 2.765 728 H ILE 92 HN ILE 92 -3.816 -7.579 -0.596 729 HA ILE 92 HA ILE 92 -1.903 -5.525 0.340 730 HB ILE 92 HB ILE 92 -4.841 -5.117 -0.228 731 HG12 ILE 92 HG12 ILE 92 -2.600 -4.199 -2.050 732 HG13 ILE 92 HG13 ILE 92 -3.287 -5.819 -2.277 733 HG21 ILE 92 HG21 ILE 92 -4.175 -3.289 1.077 734 HG22 ILE 92 HG22 ILE 92 -2.465 -3.470 0.685 735 HG23 ILE 92 HG23 ILE 92 -3.496 -2.710 -0.479 736 HD11 ILE 92 HD11 ILE 92 -5.477 -4.992 -2.644 737 HD12 ILE 92 HD12 ILE 92 -5.042 -3.353 -2.180 738 HD13 ILE 92 HD13 ILE 92 -4.376 -4.039 -3.668 739 H LEU 93 HN LEU 93 -1.574 -5.495 2.443 740 HA LEU 93 HA LEU 93 -3.622 -6.298 4.404 741 HB2 LEU 93 HB2 LEU 93 -0.616 -6.129 4.415 742 HB3 LEU 93 HB3 LEU 93 -1.461 -5.845 5.920 743 HG LEU 93 HG LEU 93 -2.327 -8.038 6.020 744 HD11 LEU 93 HD11 LEU 93 -1.873 -9.779 4.327 745 HD12 LEU 93 HD12 LEU 93 -1.270 -8.521 3.215 746 HD13 LEU 93 HD13 LEU 93 -2.969 -8.532 3.750 747 HD21 LEU 93 HD21 LEU 93 -0.258 -9.346 6.090 748 HD22 LEU 93 HD22 LEU 93 0.086 -7.697 6.630 749 HD23 LEU 93 HD23 LEU 93 0.544 -8.201 4.993 750 H ASP 94 HN ASP 94 -3.627 -4.762 6.287 751 HA ASP 94 HA ASP 94 -2.963 -1.926 5.611 752 HB2 ASP 94 HB2 ASP 94 -5.429 -2.678 5.970 753 HB3 ASP 94 HB3 ASP 94 -5.033 -2.703 7.662 754 H ALA 95 HN ALA 95 -3.116 -0.898 7.984 755 HA ALA 95 HA ALA 95 -0.529 -1.457 9.037 756 HB1 ALA 95 HB1 ALA 95 -0.959 0.205 10.789 757 HB2 ALA 95 HB2 ALA 95 -1.602 0.780 9.251 758 HB3 ALA 95 HB3 ALA 95 -2.699 0.115 10.459 759 H GLU 96 HN GLU 96 -3.454 -3.085 9.917 760 HA GLU 96 HA GLU 96 -2.410 -4.041 12.519 761 HB2 GLU 96 HB2 GLU 96 -4.915 -4.552 10.883 762 HB3 GLU 96 HB3 GLU 96 -4.575 -5.424 12.375 763 HG2 GLU 96 HG2 GLU 96 -4.699 -2.393 12.266 764 HG3 GLU 96 HG3 GLU 96 -6.142 -3.383 12.466 765 H GLY 97 HN GLY 97 -1.996 -4.861 9.215 766 HA2 GLY 97 HA2 GLY 97 -1.135 -6.744 8.202 767 HA3 GLY 97 HA1 GLY 97 -1.092 -7.611 9.734 768 H ASN 98 HN ASN 98 -3.988 -5.971 8.500 769 HA ASN 98 HA ASN 98 -5.358 -8.592 8.167 770 HB2 ASN 98 HB2 ASN 98 -6.478 -5.801 8.479 771 HB3 ASN 98 HB3 ASN 98 -7.441 -7.241 8.242 772 HD21 ASN 98 HD21 ASN 98 -7.308 -5.363 10.725 773 HD22 ASN 98 HD22 ASN 98 -6.994 -6.589 11.981 774 H SER 99 HN SER 99 -5.985 -9.174 6.227 775 HA SER 99 HA SER 99 -5.130 -7.875 3.817 776 HB2 SER 99 HB2 SER 99 -6.483 -9.771 2.770 777 HB3 SER 99 HB3 SER 99 -5.066 -10.162 3.753 778 HG SER 99 HG SER 99 -7.771 -10.260 4.588 779 H ILE 100 HN ILE 100 -6.192 -6.009 3.113 780 HA ILE 100 HA ILE 100 -9.144 -5.743 3.556 781 HB ILE 100 HB ILE 100 -8.643 -3.279 3.335 782 HG12 ILE 100 HG12 ILE 100 -5.758 -3.905 4.019 783 HG13 ILE 100 HG13 ILE 100 -6.240 -3.814 2.342 784 HG21 ILE 100 HG21 ILE 100 -7.374 -4.714 5.701 785 HG22 ILE 100 HG22 ILE 100 -7.944 -3.038 5.661 786 HG23 ILE 100 HG23 ILE 100 -9.105 -4.362 5.493 787 HD11 ILE 100 HD11 ILE 100 -6.682 -1.565 4.330 788 HD12 ILE 100 HD12 ILE 100 -5.380 -1.653 3.120 789 HD13 ILE 100 HD13 ILE 100 -7.085 -1.557 2.607 790 H ASP 101 HN ASP 101 -10.092 -4.097 1.911 791 HA ASP 101 HA ASP 101 -9.372 -4.898 -0.871 792 HB2 ASP 101 HB2 ASP 101 -11.839 -3.783 0.439 793 HB3 ASP 101 HB3 ASP 101 -11.511 -3.309 -1.205 794 H ALA 102 HN ALA 102 -9.396 -3.051 -2.380 795 HA ALA 102 HA ALA 102 -7.615 -0.909 -1.385 796 HB1 ALA 102 HB1 ALA 102 -7.161 -1.997 -3.541 797 HB2 ALA 102 HB2 ALA 102 -8.737 -1.452 -4.157 798 HB3 ALA 102 HB3 ALA 102 -7.470 -0.263 -3.754 799 H ALA 103 HN ALA 103 -10.997 -1.202 -2.118 800 HA ALA 103 HA ALA 103 -11.515 1.664 -2.167 801 HB1 ALA 103 HB1 ALA 103 -13.858 0.997 -1.913 802 HB2 ALA 103 HB2 ALA 103 -13.054 0.036 -3.172 803 HB3 ALA 103 HB3 ALA 103 -13.368 -0.666 -1.567 804 H GLN 104 HN GLN 104 -10.631 -0.478 0.410 805 HA GLN 104 HA GLN 104 -11.769 1.250 2.513 806 HB2 GLN 104 HB2 GLN 104 -9.921 -1.156 2.627 807 HB3 GLN 104 HB3 GLN 104 -10.443 -0.208 4.018 808 HG2 GLN 104 HG2 GLN 104 -12.845 -0.688 3.368 809 HG3 GLN 104 HG3 GLN 104 -12.229 -1.808 2.145 810 HE21 GLN 104 HE21 GLN 104 -12.874 -3.829 3.019 811 HE22 GLN 104 HE22 GLN 104 -12.425 -4.343 4.644 812 H VAL 105 HN VAL 105 -9.516 1.843 0.231 813 HA VAL 105 HA VAL 105 -7.829 3.415 2.089 814 HB VAL 105 HB VAL 105 -6.760 2.049 -0.389 815 HG11 VAL 105 HG11 VAL 105 -4.638 2.463 0.711 816 HG12 VAL 105 HG12 VAL 105 -5.542 3.989 0.614 817 HG13 VAL 105 HG13 VAL 105 -5.453 3.104 2.151 818 HG21 VAL 105 HG21 VAL 105 -7.445 0.191 1.031 819 HG22 VAL 105 HG22 VAL 105 -5.689 0.416 1.160 820 HG23 VAL 105 HG23 VAL 105 -6.737 0.989 2.463 821 H THR 106 HN THR 106 -8.553 3.150 -1.468 822 HA THR 106 HA THR 106 -7.661 5.848 -1.859 823 HB THR 106 HB THR 106 -8.878 5.491 -4.143 824 HG1 THR 106 HG1 THR 106 -9.513 3.629 -4.633 825 HG21 THR 106 HG21 THR 106 -6.961 4.117 -4.965 826 HG22 THR 106 HG22 THR 106 -6.467 3.893 -3.267 827 HG23 THR 106 HG23 THR 106 -6.490 5.510 -3.997 828 H GLU 107 HN GLU 107 -10.428 4.983 -0.298 829 HA GLU 107 HA GLU 107 -11.992 7.304 -1.260 830 HB2 GLU 107 HB2 GLU 107 -12.952 4.826 0.216 831 HB3 GLU 107 HB3 GLU 107 -13.955 6.123 -0.463 832 HG2 GLU 107 HG2 GLU 107 -13.110 5.503 -2.755 833 HG3 GLU 107 HG3 GLU 107 -12.266 4.127 -2.041 834 H ILE 108 HN ILE 108 -9.876 6.727 1.050 835 HA ILE 108 HA ILE 108 -11.254 7.429 3.488 836 HB ILE 108 HB ILE 108 -8.348 7.126 2.729 837 HG12 ILE 108 HG12 ILE 108 -9.591 5.028 2.736 838 HG13 ILE 108 HG13 ILE 108 -8.513 5.099 4.109 839 HG21 ILE 108 HG21 ILE 108 -9.437 7.691 5.506 840 HG22 ILE 108 HG22 ILE 108 -7.801 7.107 5.131 841 HG23 ILE 108 HG23 ILE 108 -8.317 8.690 4.562 842 HD11 ILE 108 HD11 ILE 108 -10.563 4.068 4.792 843 HD12 ILE 108 HD12 ILE 108 -10.497 5.652 5.576 844 HD13 ILE 108 HD13 ILE 108 -11.537 5.394 4.155 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -16.956 -12.406 11.579 2 HA2 GLY 1 HA2 GLY 1 -18.849 -13.758 12.304 3 HA3 GLY 1 HA1 GLY 1 -19.440 -12.351 13.200 4 H MET 2 HN MET 2 -21.061 -11.340 12.153 5 HA MET 2 HA MET 2 -20.906 -10.906 9.202 6 HB2 MET 2 HB2 MET 2 -23.078 -10.299 11.242 7 HB3 MET 2 HB3 MET 2 -22.993 -9.509 9.657 8 HG2 MET 2 HG2 MET 2 -22.951 -11.743 8.561 9 HG3 MET 2 HG3 MET 2 -23.183 -12.508 10.132 10 HE1 MET 2 HE1 MET 2 -25.391 -12.377 11.542 11 HE2 MET 2 HE2 MET 2 -25.392 -10.596 11.556 12 HE3 MET 2 HE3 MET 2 -26.849 -11.482 11.055 13 H GLY 3 HN GLY 3 -21.683 -8.752 11.994 14 HA2 GLY 3 HA2 GLY 3 -19.880 -6.709 10.925 15 HA3 GLY 3 HA1 GLY 3 -20.940 -6.588 12.336 16 H THR 4 HN THR 4 -17.791 -6.701 11.422 17 HA THR 4 HA THR 4 -16.937 -7.270 14.189 18 HB THR 4 HB THR 4 -14.918 -8.415 12.755 19 HG1 THR 4 HG1 THR 4 -16.506 -8.716 10.978 20 HG21 THR 4 HG21 THR 4 -15.780 -9.141 14.950 21 HG22 THR 4 HG22 THR 4 -15.605 -10.504 13.836 22 HG23 THR 4 HG23 THR 4 -17.217 -9.800 14.161 23 H THR 5 HN THR 5 -16.497 -5.537 11.251 24 HA THR 5 HA THR 5 -14.888 -3.507 12.387 25 HB THR 5 HB THR 5 -13.118 -5.139 12.230 26 HG1 THR 5 HG1 THR 5 -12.550 -3.072 11.690 27 HG21 THR 5 HG21 THR 5 -14.039 -6.681 10.502 28 HG22 THR 5 HG22 THR 5 -12.350 -6.235 10.237 29 HG23 THR 5 HG23 THR 5 -13.618 -5.474 9.260 30 H GLU 6 HN GLU 6 -15.951 -1.867 11.463 31 HA GLU 6 HA GLU 6 -16.654 -2.018 8.584 32 HB2 GLU 6 HB2 GLU 6 -18.736 -0.782 9.032 33 HB3 GLU 6 HB3 GLU 6 -18.734 -2.457 9.565 34 HG2 GLU 6 HG2 GLU 6 -18.522 -1.782 11.906 35 HG3 GLU 6 HG3 GLU 6 -18.364 -0.087 11.466 36 H LYS 7 HN LYS 7 -15.142 -0.700 7.773 37 HA LYS 7 HA LYS 7 -14.122 1.134 7.146 38 HB2 LYS 7 HB2 LYS 7 -16.538 2.023 7.648 39 HB3 LYS 7 HB3 LYS 7 -15.761 2.888 8.985 40 HG2 LYS 7 HG2 LYS 7 -14.318 4.075 7.399 41 HG3 LYS 7 HG3 LYS 7 -14.877 3.018 6.086 42 HD2 LYS 7 HD2 LYS 7 -16.543 4.442 5.657 43 HD3 LYS 7 HD3 LYS 7 -17.259 4.104 7.223 44 HE2 LYS 7 HE2 LYS 7 -15.204 6.271 6.653 45 HE3 LYS 7 HE3 LYS 7 -16.951 6.493 6.791 46 HZ1 LYS 7 HZ1 LYS 7 -16.143 7.077 8.837 47 HZ2 LYS 7 HZ2 LYS 7 -15.052 5.865 8.937 48 HZ3 LYS 7 HZ3 LYS 7 -16.656 5.543 9.124 49 H SER 8 HN SER 8 -12.686 3.080 7.966 50 HA SER 8 HA SER 8 -11.664 2.687 10.662 51 HB2 SER 8 HB2 SER 8 -10.636 1.027 8.815 52 HB3 SER 8 HB3 SER 8 -9.705 2.464 8.364 53 HG SER 8 HG SER 8 -9.680 0.887 10.637 54 H GLY 9 HN GLY 9 -9.470 4.077 10.635 55 HA2 GLY 9 HA2 GLY 9 -9.811 6.640 9.180 56 HA3 GLY 9 HA1 GLY 9 -9.522 6.622 10.938 57 H ILE 10 HN ILE 10 -8.068 4.145 9.063 58 HA ILE 10 HA ILE 10 -5.353 4.804 9.616 59 HB ILE 10 HB ILE 10 -6.834 2.840 7.828 60 HG12 ILE 10 HG12 ILE 10 -5.183 2.418 10.355 61 HG13 ILE 10 HG13 ILE 10 -6.923 2.591 10.359 62 HG21 ILE 10 HG21 ILE 10 -4.522 1.742 7.654 63 HG22 ILE 10 HG22 ILE 10 -4.779 3.167 6.684 64 HG23 ILE 10 HG23 ILE 10 -3.858 3.270 8.209 65 HD11 ILE 10 HD11 ILE 10 -6.429 0.243 10.468 66 HD12 ILE 10 HD12 ILE 10 -7.148 0.590 8.888 67 HD13 ILE 10 HD13 ILE 10 -5.399 0.310 9.038 68 H LYS 11 HN LYS 11 -3.772 5.551 8.275 69 HA LYS 11 HA LYS 11 -4.541 6.957 5.779 70 HB2 LYS 11 HB2 LYS 11 -3.424 8.922 6.451 71 HB3 LYS 11 HB3 LYS 11 -4.635 8.519 7.654 72 HG2 LYS 11 HG2 LYS 11 -1.685 7.844 8.019 73 HG3 LYS 11 HG3 LYS 11 -2.328 9.401 8.421 74 HD2 LYS 11 HD2 LYS 11 -3.401 6.860 9.685 75 HD3 LYS 11 HD3 LYS 11 -2.044 7.812 10.308 76 HE2 LYS 11 HE2 LYS 11 -3.625 9.828 10.062 77 HE3 LYS 11 HE3 LYS 11 -4.933 8.646 9.872 78 HZ1 LYS 11 HZ1 LYS 11 -4.310 7.723 12.001 79 HZ2 LYS 11 HZ2 LYS 11 -4.679 9.324 12.150 80 HZ3 LYS 11 HZ3 LYS 11 -3.088 8.818 12.171 81 H GLU 12 HN GLU 12 -3.108 4.374 6.317 82 HA GLU 12 HA GLU 12 -0.840 4.867 4.576 83 HB2 GLU 12 HB2 GLU 12 0.131 5.276 6.828 84 HB3 GLU 12 HB3 GLU 12 -0.587 3.792 7.423 85 HG2 GLU 12 HG2 GLU 12 0.910 2.471 5.904 86 HG3 GLU 12 HG3 GLU 12 1.704 4.014 5.458 87 H ILE 13 HN ILE 13 -0.358 2.871 3.473 88 HA ILE 13 HA ILE 13 -1.836 0.439 4.328 89 HB ILE 13 HB ILE 13 -2.125 -0.126 1.934 90 HG12 ILE 13 HG12 ILE 13 -2.110 2.554 0.798 91 HG13 ILE 13 HG13 ILE 13 -0.520 2.227 1.461 92 HG21 ILE 13 HG21 ILE 13 -3.974 0.735 3.291 93 HG22 ILE 13 HG22 ILE 13 -3.596 2.392 2.788 94 HG23 ILE 13 HG23 ILE 13 -4.112 1.183 1.590 95 HD11 ILE 13 HD11 ILE 13 -0.295 0.183 0.203 96 HD12 ILE 13 HD12 ILE 13 -1.939 0.377 -0.449 97 HD13 ILE 13 HD13 ILE 13 -0.668 1.542 -0.877 98 H ILE 14 HN ILE 14 -0.777 -1.569 3.260 99 HA ILE 14 HA ILE 14 2.095 -1.125 2.802 100 HB ILE 14 HB ILE 14 1.133 -3.095 4.894 101 HG12 ILE 14 HG12 ILE 14 2.415 -0.346 5.206 102 HG13 ILE 14 HG13 ILE 14 0.856 -0.883 5.817 103 HG21 ILE 14 HG21 ILE 14 3.095 -3.861 3.696 104 HG22 ILE 14 HG22 ILE 14 3.911 -2.288 3.908 105 HG23 ILE 14 HG23 ILE 14 3.607 -3.356 5.296 106 HD11 ILE 14 HD11 ILE 14 3.576 -1.635 6.862 107 HD12 ILE 14 HD12 ILE 14 2.298 -0.711 7.653 108 HD13 ILE 14 HD13 ILE 14 2.091 -2.441 7.385 109 H ILE 15 HN ILE 15 2.142 -1.798 0.759 110 HA ILE 15 HA ILE 15 0.485 -3.981 -0.239 111 HB ILE 15 HB ILE 15 3.001 -2.827 -1.486 112 HG12 ILE 15 HG12 ILE 15 1.553 -0.934 -1.173 113 HG13 ILE 15 HG13 ILE 15 1.654 -1.388 -2.859 114 HG21 ILE 15 HG21 ILE 15 2.347 -4.924 -2.511 115 HG22 ILE 15 HG22 ILE 15 0.664 -4.414 -2.636 116 HG23 ILE 15 HG23 ILE 15 1.923 -3.628 -3.620 117 HD11 ILE 15 HD11 ILE 15 -0.601 -0.728 -2.367 118 HD12 ILE 15 HD12 ILE 15 -0.615 -2.463 -2.684 119 HD13 ILE 15 HD13 ILE 15 -0.700 -1.891 -1.011 120 H GLN 16 HN GLN 16 0.849 -6.093 0.390 121 HA GLN 16 HA GLN 16 3.366 -6.853 1.551 122 HB2 GLN 16 HB2 GLN 16 0.880 -7.815 1.866 123 HB3 GLN 16 HB3 GLN 16 1.431 -8.925 0.593 124 HG2 GLN 16 HG2 GLN 16 3.419 -9.414 2.079 125 HG3 GLN 16 HG3 GLN 16 2.690 -8.352 3.315 126 HE21 GLN 16 HE21 GLN 16 2.204 -9.883 4.970 127 HE22 GLN 16 HE22 GLN 16 1.348 -11.379 4.592 128 H GLY 17 HN GLY 17 4.683 -8.675 0.593 129 HA2 GLY 17 HA2 GLY 17 4.860 -8.512 -2.405 130 HA3 GLY 17 HA1 GLY 17 6.226 -8.785 -1.349 131 H LEU 18 HN LEU 18 3.149 -10.324 -0.667 132 HA LEU 18 HA LEU 18 3.994 -12.964 -1.724 133 HB2 LEU 18 HB2 LEU 18 2.920 -12.045 0.873 134 HB3 LEU 18 HB3 LEU 18 1.801 -13.144 0.094 135 HG LEU 18 HG LEU 18 3.561 -14.854 -0.097 136 HD11 LEU 18 HD11 LEU 18 5.710 -14.657 0.986 137 HD12 LEU 18 HD12 LEU 18 5.302 -13.065 1.642 138 HD13 LEU 18 HD13 LEU 18 5.584 -13.259 -0.103 139 HD21 LEU 18 HD21 LEU 18 3.695 -15.242 2.411 140 HD22 LEU 18 HD22 LEU 18 2.084 -14.760 1.862 141 HD23 LEU 18 HD23 LEU 18 3.134 -13.559 2.629 142 H THR 19 HN THR 19 2.367 -14.022 -2.933 143 HA THR 19 HA THR 19 0.323 -12.334 -4.166 144 HB THR 19 HB THR 19 -0.046 -14.189 -5.602 145 HG1 THR 19 HG1 THR 19 0.831 -16.165 -5.326 146 HG21 THR 19 HG21 THR 19 2.971 -14.063 -5.152 147 HG22 THR 19 HG22 THR 19 2.020 -12.876 -6.084 148 HG23 THR 19 HG23 THR 19 2.137 -14.559 -6.624 149 H ARG 20 HN ARG 20 -1.958 -13.018 -4.195 150 HA ARG 20 HA ARG 20 -3.165 -13.649 -1.782 151 HB2 ARG 20 HB2 ARG 20 -5.162 -13.988 -3.007 152 HB3 ARG 20 HB3 ARG 20 -4.288 -12.563 -3.578 153 HG2 ARG 20 HG2 ARG 20 -3.419 -14.027 -5.489 154 HG3 ARG 20 HG3 ARG 20 -4.553 -15.292 -4.966 155 HD2 ARG 20 HD2 ARG 20 -5.297 -12.428 -5.588 156 HD3 ARG 20 HD3 ARG 20 -5.373 -13.733 -6.799 157 HE ARG 20 HE ARG 20 -6.896 -14.405 -4.442 158 HH11 ARG 20 HH11 ARG 20 -6.960 -12.256 -7.274 159 HH12 ARG 20 HH12 ARG 20 -8.634 -11.942 -7.230 160 HH21 ARG 20 HH21 ARG 20 -9.189 -14.125 -4.444 161 HH22 ARG 20 HH22 ARG 20 -9.952 -13.209 -5.735 162 H ALA 21 HN ALA 21 -1.674 -15.839 -3.886 163 HA ALA 21 HA ALA 21 -3.054 -18.267 -2.952 164 HB1 ALA 21 HB1 ALA 21 -2.057 -18.106 -5.241 165 HB2 ALA 21 HB2 ALA 21 -0.440 -18.033 -4.490 166 HB3 ALA 21 HB3 ALA 21 -1.449 -19.479 -4.298 167 H GLY 22 HN GLY 22 -0.836 -16.161 -1.460 168 HA2 GLY 22 HA2 GLY 22 0.557 -16.338 0.308 169 HA3 GLY 22 HA1 GLY 22 -0.088 -17.958 0.623 170 H LYS 23 HN LYS 23 1.722 -16.529 -2.191 171 HA LYS 23 HA LYS 23 4.017 -18.212 -1.483 172 HB2 LYS 23 HB2 LYS 23 2.630 -18.181 -4.195 173 HB3 LYS 23 HB3 LYS 23 4.356 -18.417 -4.060 174 HG2 LYS 23 HG2 LYS 23 3.832 -20.630 -3.836 175 HG3 LYS 23 HG3 LYS 23 3.589 -20.196 -2.155 176 HD2 LYS 23 HD2 LYS 23 1.099 -19.668 -3.000 177 HD3 LYS 23 HD3 LYS 23 1.569 -20.723 -4.331 178 HE2 LYS 23 HE2 LYS 23 0.810 -22.368 -2.949 179 HE3 LYS 23 HE3 LYS 23 2.435 -22.261 -2.270 180 HZ1 LYS 23 HZ1 LYS 23 -0.014 -20.951 -1.226 181 HZ2 LYS 23 HZ2 LYS 23 1.481 -20.696 -0.614 182 HZ3 LYS 23 HZ3 LYS 23 0.794 -22.200 -0.539 183 HA PRO 24 HA PRO 24 5.995 -14.355 -2.053 184 HB2 PRO 24 HB2 PRO 24 8.573 -14.991 -2.736 185 HB3 PRO 24 HB3 PRO 24 7.882 -15.311 -1.116 186 HG2 PRO 24 HG2 PRO 24 8.109 -17.242 -3.450 187 HG3 PRO 24 HG3 PRO 24 8.606 -17.507 -1.747 188 HD2 PRO 24 HD2 PRO 24 6.217 -18.374 -2.720 189 HD3 PRO 24 HD3 PRO 24 6.359 -17.746 -1.053 190 H PHE 25 HN PHE 25 6.778 -12.865 -3.596 191 HA PHE 25 HA PHE 25 6.123 -13.488 -6.409 192 HB2 PHE 25 HB2 PHE 25 4.986 -11.657 -5.147 193 HB3 PHE 25 HB3 PHE 25 6.544 -10.869 -4.915 194 HD1 PHE 25 HD2 PHE 25 4.756 -12.431 -7.893 195 HD2 PHE 25 HD1 PHE 25 6.634 -8.911 -6.195 196 HE1 PHE 25 HE2 PHE 25 4.504 -11.239 -10.043 197 HE2 PHE 25 HE1 PHE 25 6.327 -7.731 -8.348 198 HZ PHE 25 HZ PHE 25 5.286 -8.895 -10.258 199 H ARG 26 HN ARG 26 7.584 -12.130 -8.060 200 HA ARG 26 HA ARG 26 10.263 -11.677 -7.103 201 HB2 ARG 26 HB2 ARG 26 9.713 -13.473 -9.445 202 HB3 ARG 26 HB3 ARG 26 11.117 -12.482 -9.502 203 HG2 ARG 26 HG2 ARG 26 10.665 -14.308 -7.135 204 HG3 ARG 26 HG3 ARG 26 11.331 -14.921 -8.633 205 HD2 ARG 26 HD2 ARG 26 12.595 -12.652 -7.053 206 HD3 ARG 26 HD3 ARG 26 13.031 -14.354 -6.892 207 HE ARG 26 HE ARG 26 13.167 -13.529 -9.650 208 HH11 ARG 26 HH11 ARG 26 15.152 -13.360 -6.629 209 HH12 ARG 26 HH12 ARG 26 16.612 -13.322 -7.537 210 HH21 ARG 26 HH21 ARG 26 15.041 -13.473 -10.688 211 HH22 ARG 26 HH22 ARG 26 16.602 -13.477 -9.911 212 HA PRO 27 HA PRO 27 12.145 -10.834 -8.558 213 HB2 PRO 27 HB2 PRO 27 13.180 -8.291 -8.112 214 HB3 PRO 27 HB3 PRO 27 13.140 -9.088 -9.725 215 HG2 PRO 27 HG2 PRO 27 11.231 -7.035 -8.562 216 HG3 PRO 27 HG3 PRO 27 11.909 -7.112 -10.205 217 HD2 PRO 27 HD2 PRO 27 9.401 -8.033 -9.611 218 HD3 PRO 27 HD3 PRO 27 10.420 -8.827 -10.851 219 H SER 28 HN SER 28 13.250 -10.684 -6.454 220 HA SER 28 HA SER 28 11.319 -10.389 -4.275 221 HB2 SER 28 HB2 SER 28 14.315 -10.950 -4.334 222 HB3 SER 28 HB3 SER 28 13.279 -10.976 -2.901 223 HG SER 28 HG SER 28 12.002 -12.615 -3.981 224 H ASP 29 HN ASP 29 13.659 -8.457 -5.895 225 HA ASP 29 HA ASP 29 13.967 -6.401 -3.840 226 HB2 ASP 29 HB2 ASP 29 15.014 -6.723 -6.681 227 HB3 ASP 29 HB3 ASP 29 15.468 -5.450 -5.550 228 H TRP 30 HN TRP 30 11.345 -7.054 -5.708 229 HA TRP 30 HA TRP 30 10.795 -4.887 -7.291 230 HB2 TRP 30 HB2 TRP 30 8.511 -5.412 -7.128 231 HB3 TRP 30 HB3 TRP 30 9.359 -6.937 -7.023 232 HD1 TRP 30 HD1 TRP 30 9.091 -8.283 -4.726 233 HE1 TRP 30 HE1 TRP 30 7.581 -8.074 -2.701 234 HE3 TRP 30 HE3 TRP 30 7.108 -3.686 -5.712 235 HZ2 TRP 30 HZ2 TRP 30 5.670 -6.113 -1.618 236 HZ3 TRP 30 HZ3 TRP 30 5.334 -2.758 -4.261 237 HH2 TRP 30 HH2 TRP 30 4.573 -4.014 -2.274 238 H VAL 31 HN VAL 31 10.626 -4.947 -3.771 239 HA VAL 31 HA VAL 31 8.992 -2.697 -3.297 240 HB VAL 31 HB VAL 31 11.345 -3.860 -1.732 241 HG11 VAL 31 HG11 VAL 31 10.922 -1.580 -0.900 242 HG12 VAL 31 HG12 VAL 31 9.191 -1.943 -0.760 243 HG13 VAL 31 HG13 VAL 31 10.363 -2.792 0.259 244 HG21 VAL 31 HG21 VAL 31 8.336 -4.282 -1.519 245 HG22 VAL 31 HG22 VAL 31 9.545 -5.488 -2.037 246 HG23 VAL 31 HG23 VAL 31 9.525 -4.900 -0.369 247 H ASP 32 HN ASP 32 12.518 -2.953 -3.973 248 HA ASP 32 HA ASP 32 13.031 -0.196 -3.237 249 HB2 ASP 32 HB2 ASP 32 14.715 -2.047 -3.128 250 HB3 ASP 32 HB3 ASP 32 14.700 -2.101 -4.908 251 H ARG 33 HN ARG 33 12.055 -1.902 -6.135 252 HA ARG 33 HA ARG 33 12.673 0.124 -8.128 253 HB2 ARG 33 HB2 ARG 33 10.196 -1.689 -8.056 254 HB3 ARG 33 HB3 ARG 33 10.754 -0.714 -9.377 255 HG2 ARG 33 HG2 ARG 33 12.919 -2.180 -9.276 256 HG3 ARG 33 HG3 ARG 33 11.935 -3.286 -8.328 257 HD2 ARG 33 HD2 ARG 33 10.237 -3.382 -10.118 258 HD3 ARG 33 HD3 ARG 33 11.103 -2.167 -11.058 259 HE ARG 33 HE ARG 33 11.464 -4.909 -11.220 260 HH11 ARG 33 HH11 ARG 33 13.477 -1.907 -11.230 261 HH12 ARG 33 HH12 ARG 33 14.744 -2.680 -12.092 262 HH21 ARG 33 HH21 ARG 33 13.260 -5.841 -12.382 263 HH22 ARG 33 HH22 ARG 33 14.675 -4.847 -12.635 264 H MET 34 HN MET 34 9.691 -0.506 -6.265 265 HA MET 34 HA MET 34 8.362 1.828 -7.174 266 HB2 MET 34 HB2 MET 34 7.939 0.477 -4.504 267 HB3 MET 34 HB3 MET 34 6.761 1.436 -5.406 268 HG2 MET 34 HG2 MET 34 7.798 -1.335 -6.036 269 HG3 MET 34 HG3 MET 34 6.179 -0.900 -5.557 270 HE1 MET 34 HE1 MET 34 4.677 0.850 -7.105 271 HE2 MET 34 HE2 MET 34 4.320 0.021 -8.642 272 HE3 MET 34 HE3 MET 34 4.337 -0.898 -7.126 273 H CYS 35 HN CYS 35 10.390 1.245 -4.264 274 HA CYS 35 HA CYS 35 10.052 3.689 -2.957 275 HB2 CYS 35 HB2 CYS 35 12.495 1.882 -3.232 276 HB3 CYS 35 HB3 CYS 35 12.447 3.300 -2.181 277 HG CYS 35 HG CYS 35 10.522 2.733 -0.782 278 H SER 36 HN SER 36 12.557 2.921 -5.469 279 HA SER 36 HA SER 36 13.554 5.561 -5.628 280 HB2 SER 36 HB2 SER 36 13.578 3.362 -7.655 281 HB3 SER 36 HB3 SER 36 14.627 4.795 -7.625 282 HG SER 36 HG SER 36 15.172 2.536 -6.637 283 H THR 37 HN THR 37 10.947 3.926 -7.463 284 HA THR 37 HA THR 37 10.627 5.825 -9.525 285 HB THR 37 HB THR 37 8.649 3.926 -8.187 286 HG1 THR 37 HG1 THR 37 10.765 3.539 -9.892 287 HG21 THR 37 HG21 THR 37 7.315 5.293 -9.539 288 HG22 THR 37 HG22 THR 37 7.587 3.829 -10.488 289 HG23 THR 37 HG23 THR 37 8.505 5.313 -10.869 290 H TYR 38 HN TYR 38 9.965 6.264 -6.196 291 HA TYR 38 HA TYR 38 8.523 8.788 -6.794 292 HB2 TYR 38 HB2 TYR 38 7.891 6.815 -4.587 293 HB3 TYR 38 HB3 TYR 38 7.173 8.429 -4.736 294 HD1 TYR 38 HD1 TYR 38 5.995 8.965 -7.018 295 HD2 TYR 38 HD2 TYR 38 6.815 4.973 -5.621 296 HE1 TYR 38 HE1 TYR 38 4.426 8.065 -8.700 297 HE2 TYR 38 HE2 TYR 38 5.264 4.051 -7.305 298 HH TYR 38 HH TYR 38 3.960 4.526 -9.108 299 H ALA 39 HN ALA 39 11.254 8.452 -6.677 300 HA ALA 39 HA ALA 39 11.907 9.883 -4.126 301 HB1 ALA 39 HB1 ALA 39 14.100 8.815 -4.186 302 HB2 ALA 39 HB2 ALA 39 12.842 7.563 -4.233 303 HB3 ALA 39 HB3 ALA 39 13.704 8.020 -5.718 304 H SER 40 HN SER 40 14.153 11.020 -4.522 305 HA SER 40 HA SER 40 14.589 12.154 -7.206 306 HB2 SER 40 HB2 SER 40 14.459 14.503 -6.188 307 HB3 SER 40 HB3 SER 40 12.903 13.716 -6.490 308 HG SER 40 HG SER 40 14.253 13.580 -4.000 309 H PHE 41 HN PHE 41 16.771 13.029 -7.352 310 HA PHE 41 HA PHE 41 18.634 12.369 -5.304 311 HB2 PHE 41 HB2 PHE 41 18.580 13.998 -7.805 312 HB3 PHE 41 HB3 PHE 41 19.780 14.487 -6.598 313 HD1 PHE 41 HD1 PHE 41 18.823 10.908 -6.908 314 HD2 PHE 41 HD2 PHE 41 21.646 13.942 -8.112 315 HE1 PHE 41 HE1 PHE 41 20.441 9.203 -7.380 316 HE2 PHE 41 HE2 PHE 41 23.247 12.170 -8.736 317 HZ PHE 41 HZ PHE 41 22.671 9.766 -8.330 318 H GLY 42 HN GLY 42 19.527 13.440 -3.720 319 HA2 GLY 42 HA2 GLY 42 18.349 16.005 -2.813 320 HA3 GLY 42 HA1 GLY 42 19.133 14.821 -1.760 321 H ALA 43 HN ALA 43 20.207 17.051 -1.391 322 HA ALA 43 HA ALA 43 21.672 18.431 -3.178 323 HB1 ALA 43 HB1 ALA 43 22.868 19.403 -1.236 324 HB2 ALA 43 HB2 ALA 43 21.147 19.162 -0.859 325 HB3 ALA 43 HB3 ALA 43 22.367 18.032 -0.231 326 H ASP 44 HN ASP 44 22.811 15.585 -1.458 327 HA ASP 44 HA ASP 44 25.625 15.924 -2.138 328 HB2 ASP 44 HB2 ASP 44 24.614 15.055 0.050 329 HB3 ASP 44 HB3 ASP 44 24.222 13.576 -0.812 330 H ARG 45 HN ARG 45 23.270 15.188 -4.142 331 HA ARG 45 HA ARG 45 22.903 13.922 -5.993 332 HB2 ARG 45 HB2 ARG 45 25.950 13.945 -6.015 333 HB3 ARG 45 HB3 ARG 45 25.023 13.114 -7.243 334 HG2 ARG 45 HG2 ARG 45 25.603 15.226 -8.109 335 HG3 ARG 45 HG3 ARG 45 23.852 15.173 -7.872 336 HD2 ARG 45 HD2 ARG 45 24.045 16.541 -5.850 337 HD3 ARG 45 HD3 ARG 45 25.820 16.472 -5.946 338 HE ARG 45 HE ARG 45 24.451 17.551 -8.309 339 HH11 ARG 45 HH11 ARG 45 25.604 18.412 -5.102 340 HH12 ARG 45 HH12 ARG 45 25.864 20.078 -5.455 341 HH21 ARG 45 HH21 ARG 45 24.800 19.756 -8.861 342 HH22 ARG 45 HH22 ARG 45 25.403 20.864 -7.700 343 H LYS 46 HN LYS 46 22.506 12.643 -3.604 344 HA LYS 46 HA LYS 46 22.763 9.841 -4.563 345 HB2 LYS 46 HB2 LYS 46 22.977 10.952 -1.752 346 HB3 LYS 46 HB3 LYS 46 22.070 9.453 -1.982 347 HG2 LYS 46 HG2 LYS 46 23.936 8.294 -2.897 348 HG3 LYS 46 HG3 LYS 46 24.909 9.775 -3.031 349 HD2 LYS 46 HD2 LYS 46 25.224 9.953 -0.721 350 HD3 LYS 46 HD3 LYS 46 23.838 8.938 -0.331 351 HE2 LYS 46 HE2 LYS 46 25.751 7.651 0.202 352 HE3 LYS 46 HE3 LYS 46 24.996 6.948 -1.226 353 HZ1 LYS 46 HZ1 LYS 46 26.813 8.334 -2.452 354 HZ2 LYS 46 HZ2 LYS 46 27.211 6.924 -1.705 355 HZ3 LYS 46 HZ3 LYS 46 27.557 8.328 -0.976 356 H LEU 47 HN LEU 47 20.855 8.686 -4.392 357 HA LEU 47 HA LEU 47 18.415 10.160 -4.833 358 HB2 LEU 47 HB2 LEU 47 19.294 7.313 -4.644 359 HB3 LEU 47 HB3 LEU 47 17.668 7.596 -4.035 360 HG LEU 47 HG LEU 47 18.646 8.238 -6.829 361 HD11 LEU 47 HD11 LEU 47 17.128 6.467 -7.513 362 HD12 LEU 47 HD12 LEU 47 16.692 6.137 -5.815 363 HD13 LEU 47 HD13 LEU 47 18.351 5.843 -6.390 364 HD21 LEU 47 HD21 LEU 47 16.960 9.879 -6.299 365 HD22 LEU 47 HD22 LEU 47 15.939 8.651 -5.533 366 HD23 LEU 47 HD23 LEU 47 16.202 8.654 -7.295 367 H ARG 48 HN ARG 48 16.667 10.443 -3.444 368 HA ARG 48 HA ARG 48 16.933 9.647 -0.619 369 HB2 ARG 48 HB2 ARG 48 16.544 12.463 -1.677 370 HB3 ARG 48 HB3 ARG 48 15.513 11.934 -0.356 371 HG2 ARG 48 HG2 ARG 48 17.296 12.940 0.734 372 HG3 ARG 48 HG3 ARG 48 17.553 11.208 0.914 373 HD2 ARG 48 HD2 ARG 48 18.956 11.958 -1.452 374 HD3 ARG 48 HD3 ARG 48 19.252 13.249 -0.306 375 HE ARG 48 HE ARG 48 20.127 10.466 -0.190 376 HH11 ARG 48 HH11 ARG 48 19.694 13.440 1.695 377 HH12 ARG 48 HH12 ARG 48 20.749 12.995 2.976 378 HH21 ARG 48 HH21 ARG 48 21.671 9.905 1.444 379 HH22 ARG 48 HH22 ARG 48 22.053 10.995 2.733 380 H TYR 49 HN TYR 49 15.478 8.109 -0.612 381 HA TYR 49 HA TYR 49 12.958 7.932 -1.888 382 HB2 TYR 49 HB2 TYR 49 13.709 7.145 0.947 383 HB3 TYR 49 HB3 TYR 49 12.356 6.540 0.050 384 HD1 TYR 49 HD1 TYR 49 13.499 5.764 -2.594 385 HD2 TYR 49 HD2 TYR 49 15.186 5.402 1.361 386 HE1 TYR 49 HE1 TYR 49 14.913 3.899 -3.391 387 HE2 TYR 49 HE2 TYR 49 16.614 3.535 0.573 388 HH TYR 49 HH TYR 49 16.235 1.866 -2.396 389 H SER 50 HN SER 50 10.881 8.544 -1.161 390 HA SER 50 HA SER 50 10.736 11.247 -0.039 391 HB2 SER 50 HB2 SER 50 8.715 9.257 -1.166 392 HB3 SER 50 HB3 SER 50 8.281 10.881 -0.603 393 HG SER 50 HG SER 50 9.516 10.128 -2.917 394 HA PRO 51 HA PRO 51 9.484 10.448 4.095 395 HB2 PRO 51 HB2 PRO 51 7.104 11.935 4.301 396 HB3 PRO 51 HB3 PRO 51 8.752 12.591 4.474 397 HG2 PRO 51 HG2 PRO 51 7.002 12.585 2.032 398 HG3 PRO 51 HG3 PRO 51 8.054 13.906 2.654 399 HD2 PRO 51 HD2 PRO 51 8.889 12.432 0.631 400 HD3 PRO 51 HD3 PRO 51 10.015 12.857 1.943 401 H TYR 52 HN TYR 52 7.021 10.041 1.518 402 HA TYR 52 HA TYR 52 5.171 8.714 3.235 403 HB2 TYR 52 HB2 TYR 52 5.169 9.066 0.221 404 HB3 TYR 52 HB3 TYR 52 3.779 8.637 1.196 405 HD1 TYR 52 HD2 TYR 52 3.710 10.437 3.443 406 HD2 TYR 52 HD1 TYR 52 4.840 11.262 -0.634 407 HE1 TYR 52 HE2 TYR 52 3.487 12.840 3.887 408 HE2 TYR 52 HE1 TYR 52 4.505 13.664 -0.243 409 HH TYR 52 HH TYR 52 4.188 15.005 3.025 410 H LEU 53 HN LEU 53 7.869 7.314 1.827 411 HA LEU 53 HA LEU 53 6.456 4.732 1.319 412 HB2 LEU 53 HB2 LEU 53 7.626 6.740 -0.476 413 HB3 LEU 53 HB3 LEU 53 8.189 5.121 -0.809 414 HG LEU 53 HG LEU 53 5.234 5.386 -0.430 415 HD11 LEU 53 HD11 LEU 53 5.607 7.439 -1.683 416 HD12 LEU 53 HD12 LEU 53 4.894 6.212 -2.749 417 HD13 LEU 53 HD13 LEU 53 6.629 6.574 -2.842 418 HD21 LEU 53 HD21 LEU 53 6.317 3.290 -1.058 419 HD22 LEU 53 HD22 LEU 53 6.997 4.042 -2.530 420 HD23 LEU 53 HD23 LEU 53 5.245 3.851 -2.345 421 H LYS 54 HN LYS 54 7.523 3.171 2.408 422 HA LYS 54 HA LYS 54 10.436 3.063 2.182 423 HB2 LYS 54 HB2 LYS 54 8.974 3.351 4.847 424 HB3 LYS 54 HB3 LYS 54 10.528 2.517 4.739 425 HG2 LYS 54 HG2 LYS 54 11.515 4.544 3.621 426 HG3 LYS 54 HG3 LYS 54 10.036 5.422 3.971 427 HD2 LYS 54 HD2 LYS 54 11.862 4.213 6.070 428 HD3 LYS 54 HD3 LYS 54 11.830 5.904 5.546 429 HE2 LYS 54 HE2 LYS 54 9.395 6.004 6.156 430 HE3 LYS 54 HE3 LYS 54 9.560 4.423 6.927 431 HZ1 LYS 54 HZ1 LYS 54 11.084 6.855 7.635 432 HZ2 LYS 54 HZ2 LYS 54 11.127 5.437 8.469 433 HZ3 LYS 54 HZ3 LYS 54 9.750 6.320 8.439 434 HA PRO 55 HA PRO 55 9.421 -1.340 2.192 435 HB2 PRO 55 HB2 PRO 55 11.638 -2.417 3.458 436 HB3 PRO 55 HB3 PRO 55 11.645 -1.869 1.760 437 HG2 PRO 55 HG2 PRO 55 12.576 -0.359 4.196 438 HG3 PRO 55 HG3 PRO 55 13.405 -0.559 2.612 439 HD2 PRO 55 HD2 PRO 55 11.983 1.679 3.181 440 HD3 PRO 55 HD3 PRO 55 11.922 0.962 1.550 441 H ARG 56 HN ARG 56 9.201 -3.161 3.869 442 HA ARG 56 HA ARG 56 9.148 -2.262 6.656 443 HB2 ARG 56 HB2 ARG 56 6.711 -2.708 5.135 444 HB3 ARG 56 HB3 ARG 56 6.828 -3.943 6.342 445 HG2 ARG 56 HG2 ARG 56 7.407 -1.154 7.306 446 HG3 ARG 56 HG3 ARG 56 5.754 -1.510 6.835 447 HD2 ARG 56 HD2 ARG 56 5.537 -3.302 8.369 448 HD3 ARG 56 HD3 ARG 56 7.262 -3.386 8.687 449 HE ARG 56 HE ARG 56 5.309 -1.751 9.997 450 HH11 ARG 56 HH11 ARG 56 8.793 -1.717 9.161 451 HH12 ARG 56 HH12 ARG 56 9.254 -1.218 10.753 452 HH21 ARG 56 HH21 ARG 56 5.977 -0.695 11.930 453 HH22 ARG 56 HH22 ARG 56 7.682 -0.439 12.201 454 H VAL 57 HN VAL 57 8.338 -4.594 7.891 455 HA VAL 57 HA VAL 57 9.004 -6.738 6.195 456 HB VAL 57 HB VAL 57 10.040 -6.694 9.075 457 HG11 VAL 57 HG11 VAL 57 10.016 -8.932 7.004 458 HG12 VAL 57 HG12 VAL 57 10.855 -8.990 8.572 459 HG13 VAL 57 HG13 VAL 57 9.099 -8.883 8.531 460 HG21 VAL 57 HG21 VAL 57 12.266 -7.189 7.999 461 HG22 VAL 57 HG22 VAL 57 11.527 -6.876 6.416 462 HG23 VAL 57 HG23 VAL 57 11.645 -5.574 7.614 463 H ILE 58 HN ILE 58 7.215 -8.125 6.353 464 HA ILE 58 HA ILE 58 5.604 -8.114 8.835 465 HB ILE 58 HB ILE 58 4.439 -7.896 6.021 466 HG12 ILE 58 HG12 ILE 58 4.143 -6.154 8.512 467 HG13 ILE 58 HG13 ILE 58 5.047 -5.732 7.057 468 HG21 ILE 58 HG21 ILE 58 2.217 -8.262 7.058 469 HG22 ILE 58 HG22 ILE 58 3.235 -9.651 7.349 470 HG23 ILE 58 HG23 ILE 58 2.975 -8.466 8.645 471 HD11 ILE 58 HD11 ILE 58 2.049 -6.087 7.250 472 HD12 ILE 58 HD12 ILE 58 2.953 -4.596 7.031 473 HD13 ILE 58 HD13 ILE 58 2.947 -5.814 5.729 474 H GLU 59 HN GLU 59 5.612 -10.181 9.511 475 HA GLU 59 HA GLU 59 6.099 -12.369 9.608 476 HB2 GLU 59 HB2 GLU 59 4.455 -12.404 7.051 477 HB3 GLU 59 HB3 GLU 59 4.897 -13.828 7.990 478 HG2 GLU 59 HG2 GLU 59 3.738 -12.887 9.982 479 HG3 GLU 59 HG3 GLU 59 3.176 -11.530 8.980 480 H GLY 60 HN GLY 60 8.127 -10.718 8.164 481 HA2 GLY 60 HA2 GLY 60 10.288 -11.326 7.455 482 HA3 GLY 60 HA1 GLY 60 9.719 -12.937 7.039 483 H VAL 61 HN VAL 61 7.439 -10.986 5.526 484 HA VAL 61 HA VAL 61 8.812 -11.080 2.945 485 HB VAL 61 HB VAL 61 6.294 -11.446 3.486 486 HG11 VAL 61 HG11 VAL 61 6.302 -8.924 4.427 487 HG12 VAL 61 HG12 VAL 61 5.902 -8.588 2.752 488 HG13 VAL 61 HG13 VAL 61 4.892 -9.702 3.734 489 HG21 VAL 61 HG21 VAL 61 7.096 -9.770 1.068 490 HG22 VAL 61 HG22 VAL 61 7.248 -11.533 1.215 491 HG23 VAL 61 HG23 VAL 61 5.646 -10.778 1.242 492 H ARG 62 HN ARG 62 9.036 -9.146 1.617 493 HA ARG 62 HA ARG 62 10.462 -7.121 3.130 494 HB2 ARG 62 HB2 ARG 62 9.910 -7.378 0.139 495 HB3 ARG 62 HB3 ARG 62 10.972 -6.188 0.879 496 HG2 ARG 62 HG2 ARG 62 12.323 -7.889 -0.059 497 HG3 ARG 62 HG3 ARG 62 12.455 -7.939 1.690 498 HD2 ARG 62 HD2 ARG 62 11.163 -9.983 1.820 499 HD3 ARG 62 HD3 ARG 62 10.712 -9.865 0.116 500 HE ARG 62 HE ARG 62 12.626 -10.928 -0.415 501 HH11 ARG 62 HH11 ARG 62 13.101 -9.693 2.923 502 HH12 ARG 62 HH12 ARG 62 14.807 -9.957 2.891 503 HH21 ARG 62 HH21 ARG 62 14.871 -11.521 -0.289 504 HH22 ARG 62 HH22 ARG 62 15.785 -11.129 1.113 505 H CYS 63 HN CYS 63 7.689 -6.988 0.974 506 HA CYS 63 HA CYS 63 6.052 -5.504 0.638 507 HB2 CYS 63 HB2 CYS 63 4.833 -4.823 2.728 508 HB3 CYS 63 HB3 CYS 63 5.141 -6.550 2.472 509 HG CYS 63 HG CYS 63 7.399 -5.035 4.141 510 H LEU 64 HN LEU 64 4.995 -3.312 1.157 511 HA LEU 64 HA LEU 64 7.085 -1.177 1.271 512 HB2 LEU 64 HB2 LEU 64 6.883 -1.932 -1.054 513 HB3 LEU 64 HB3 LEU 64 5.131 -1.771 -0.975 514 HG LEU 64 HG LEU 64 5.328 0.672 -0.701 515 HD11 LEU 64 HD11 LEU 64 7.696 1.662 -1.315 516 HD12 LEU 64 HD12 LEU 64 8.309 0.137 -0.669 517 HD13 LEU 64 HD13 LEU 64 7.334 1.226 0.344 518 HD21 LEU 64 HD21 LEU 64 6.139 1.085 -3.006 519 HD22 LEU 64 HD22 LEU 64 5.057 -0.312 -2.888 520 HD23 LEU 64 HD23 LEU 64 6.802 -0.581 -3.021 521 H ALA 65 HN ALA 65 6.374 0.224 2.744 522 HA ALA 65 HA ALA 65 3.530 0.448 3.474 523 HB1 ALA 65 HB1 ALA 65 5.229 0.230 5.259 524 HB2 ALA 65 HB2 ALA 65 6.095 1.655 4.629 525 HB3 ALA 65 HB3 ALA 65 4.462 1.833 5.312 526 H VAL 66 HN VAL 66 2.279 2.077 2.577 527 HA VAL 66 HA VAL 66 3.640 4.386 1.303 528 HB VAL 66 HB VAL 66 1.318 2.882 0.107 529 HG11 VAL 66 HG11 VAL 66 3.001 5.259 -0.841 530 HG12 VAL 66 HG12 VAL 66 1.818 4.386 -1.831 531 HG13 VAL 66 HG13 VAL 66 1.281 5.289 -0.411 532 HG21 VAL 66 HG21 VAL 66 3.326 2.586 -1.646 533 HG22 VAL 66 HG22 VAL 66 4.317 2.764 -0.218 534 HG23 VAL 66 HG23 VAL 66 3.111 1.460 -0.296 535 H ASP 67 HN ASP 67 3.063 6.169 2.316 536 HA ASP 67 HA ASP 67 0.853 6.317 4.204 537 HB2 ASP 67 HB2 ASP 67 3.187 7.420 4.354 538 HB3 ASP 67 HB3 ASP 67 2.610 8.540 3.137 539 H LEU 68 HN LEU 68 -1.128 7.265 3.856 540 HA LEU 68 HA LEU 68 -1.999 7.625 1.133 541 HB2 LEU 68 HB2 LEU 68 -3.252 7.412 3.779 542 HB3 LEU 68 HB3 LEU 68 -4.012 8.644 2.833 543 HG LEU 68 HG LEU 68 -3.506 5.843 1.822 544 HD11 LEU 68 HD11 LEU 68 -5.960 7.038 3.195 545 HD12 LEU 68 HD12 LEU 68 -4.984 5.658 3.749 546 HD13 LEU 68 HD13 LEU 68 -5.997 5.516 2.306 547 HD21 LEU 68 HD21 LEU 68 -5.297 6.426 0.166 548 HD22 LEU 68 HD22 LEU 68 -3.907 7.505 0.024 549 HD23 LEU 68 HD23 LEU 68 -5.386 8.050 0.844 550 H LYS 69 HN LYS 69 -0.543 9.857 3.336 551 HA LYS 69 HA LYS 69 -1.830 12.259 2.419 552 HB2 LYS 69 HB2 LYS 69 -0.078 11.898 4.313 553 HB3 LYS 69 HB3 LYS 69 1.135 12.100 3.070 554 HG2 LYS 69 HG2 LYS 69 -1.063 14.110 3.781 555 HG3 LYS 69 HG3 LYS 69 0.529 14.088 4.504 556 HD2 LYS 69 HD2 LYS 69 1.137 15.589 3.029 557 HD3 LYS 69 HD3 LYS 69 1.234 14.279 1.878 558 HE2 LYS 69 HE2 LYS 69 0.080 16.313 1.052 559 HE3 LYS 69 HE3 LYS 69 -0.860 14.844 0.911 560 HZ1 LYS 69 HZ1 LYS 69 -2.242 16.565 1.616 561 HZ2 LYS 69 HZ2 LYS 69 -1.319 17.006 2.858 562 HZ3 LYS 69 HZ3 LYS 69 -2.097 15.548 2.900 563 H LEU 70 HN LEU 70 0.606 10.146 0.959 564 HA LEU 70 HA LEU 70 1.502 11.814 -1.141 565 HB2 LEU 70 HB2 LEU 70 2.502 9.675 -0.600 566 HB3 LEU 70 HB3 LEU 70 1.020 8.831 -1.001 567 HG LEU 70 HG LEU 70 1.292 9.599 -3.416 568 HD11 LEU 70 HD11 LEU 70 4.127 10.324 -2.474 569 HD12 LEU 70 HD12 LEU 70 2.874 11.526 -2.913 570 HD13 LEU 70 HD13 LEU 70 3.486 10.422 -4.115 571 HD21 LEU 70 HD21 LEU 70 1.838 7.378 -2.977 572 HD22 LEU 70 HD22 LEU 70 3.166 7.775 -1.885 573 HD23 LEU 70 HD23 LEU 70 3.377 7.972 -3.628 574 H LYS 71 HN LYS 71 -1.575 9.953 -0.844 575 HA LYS 71 HA LYS 71 -2.308 10.197 -3.632 576 HB2 LYS 71 HB2 LYS 71 -3.214 8.483 -2.064 577 HB3 LYS 71 HB3 LYS 71 -3.864 9.747 -1.052 578 HG2 LYS 71 HG2 LYS 71 -5.649 8.758 -2.081 579 HG3 LYS 71 HG3 LYS 71 -5.505 10.358 -2.793 580 HD2 LYS 71 HD2 LYS 71 -4.790 9.482 -4.879 581 HD3 LYS 71 HD3 LYS 71 -4.335 7.904 -4.184 582 HE2 LYS 71 HE2 LYS 71 -6.616 7.334 -3.735 583 HE3 LYS 71 HE3 LYS 71 -7.167 8.981 -4.053 584 HZ1 LYS 71 HZ1 LYS 71 -6.327 6.994 -6.068 585 HZ2 LYS 71 HZ2 LYS 71 -6.528 8.624 -6.386 586 HZ3 LYS 71 HZ3 LYS 71 -7.770 7.727 -5.858 587 H ASP 72 HN ASP 72 -2.587 12.439 -0.888 588 HA ASP 72 HA ASP 72 -4.505 14.156 -2.228 589 HB2 ASP 72 HB2 ASP 72 -4.198 14.229 0.198 590 HB3 ASP 72 HB3 ASP 72 -2.525 14.654 0.004 591 H THR 73 HN THR 73 -0.955 14.229 -1.773 592 HA THR 73 HA THR 73 -0.717 16.654 -3.372 593 HB THR 73 HB THR 73 0.622 16.273 -1.361 594 HG1 THR 73 HG1 THR 73 1.751 16.824 -3.798 595 HG21 THR 73 HG21 THR 73 2.558 14.766 -1.334 596 HG22 THR 73 HG22 THR 73 2.021 14.036 -2.862 597 HG23 THR 73 HG23 THR 73 1.024 13.898 -1.402 598 H ASN 74 HN ASN 74 -0.515 13.213 -4.076 599 HA ASN 74 HA ASN 74 -0.029 13.728 -6.896 600 HB2 ASN 74 HB2 ASN 74 2.280 13.592 -5.867 601 HB3 ASN 74 HB3 ASN 74 1.894 11.959 -5.318 602 HD21 ASN 74 HD21 ASN 74 2.659 10.370 -6.795 603 HD22 ASN 74 HD22 ASN 74 3.123 10.841 -8.433 604 HA PRO 75 HA PRO 75 -2.868 10.312 -5.627 605 HB2 PRO 75 HB2 PRO 75 -4.876 10.870 -7.512 606 HB3 PRO 75 HB3 PRO 75 -4.786 11.619 -5.898 607 HG2 PRO 75 HG2 PRO 75 -3.766 12.771 -8.490 608 HG3 PRO 75 HG3 PRO 75 -4.777 13.566 -7.229 609 HD2 PRO 75 HD2 PRO 75 -2.099 13.924 -7.281 610 HD3 PRO 75 HD3 PRO 75 -2.936 13.690 -5.727 611 H GLU 76 HN GLU 76 -1.778 11.404 -8.797 612 HA GLU 76 HA GLU 76 -2.603 9.204 -10.315 613 HB2 GLU 76 HB2 GLU 76 -1.683 11.582 -10.876 614 HB3 GLU 76 HB3 GLU 76 -0.095 10.858 -10.874 615 HG2 GLU 76 HG2 GLU 76 -0.573 9.429 -12.711 616 HG3 GLU 76 HG3 GLU 76 -2.324 9.555 -12.456 617 H GLY 77 HN GLY 77 0.243 9.654 -8.380 618 HA2 GLY 77 HA2 GLY 77 1.618 7.245 -9.423 619 HA3 GLY 77 HA1 GLY 77 2.199 8.352 -8.189 620 H PHE 78 HN PHE 78 -0.142 8.260 -6.435 621 HA PHE 78 HA PHE 78 0.153 5.773 -5.011 622 HB2 PHE 78 HB2 PHE 78 -0.794 7.983 -4.147 623 HB3 PHE 78 HB3 PHE 78 -2.264 7.647 -5.039 624 HD1 PHE 78 HD1 PHE 78 -3.645 5.569 -4.435 625 HD2 PHE 78 HD2 PHE 78 -0.393 7.019 -1.981 626 HE1 PHE 78 HE1 PHE 78 -4.554 4.332 -2.500 627 HE2 PHE 78 HE2 PHE 78 -1.277 5.718 -0.063 628 HZ PHE 78 HZ PHE 78 -3.348 4.368 -0.322 629 H ASN 79 HN ASN 79 -2.223 6.897 -7.463 630 HA ASN 79 HA ASN 79 -3.877 4.712 -7.750 631 HB2 ASN 79 HB2 ASN 79 -4.115 6.967 -8.688 632 HB3 ASN 79 HB3 ASN 79 -2.736 6.701 -9.741 633 HD21 ASN 79 HD21 ASN 79 -3.200 6.010 -11.830 634 HD22 ASN 79 HD22 ASN 79 -4.848 5.640 -12.225 635 H GLN 80 HN GLN 80 -0.793 5.303 -9.598 636 HA GLN 80 HA GLN 80 -0.767 2.799 -10.924 637 HB2 GLN 80 HB2 GLN 80 1.464 4.682 -10.041 638 HB3 GLN 80 HB3 GLN 80 1.747 3.201 -10.929 639 HG2 GLN 80 HG2 GLN 80 0.032 4.159 -12.662 640 HG3 GLN 80 HG3 GLN 80 0.393 5.718 -11.901 641 HE21 GLN 80 HE21 GLN 80 2.335 6.775 -12.584 642 HE22 GLN 80 HE22 GLN 80 3.495 5.969 -13.625 643 H LEU 81 HN LEU 81 0.361 3.706 -7.653 644 HA LEU 81 HA LEU 81 1.947 1.380 -7.245 645 HB2 LEU 81 HB2 LEU 81 1.711 3.688 -5.890 646 HB3 LEU 81 HB3 LEU 81 0.556 2.749 -4.943 647 HG LEU 81 HG LEU 81 3.044 1.282 -5.465 648 HD11 LEU 81 HD11 LEU 81 3.273 3.794 -3.803 649 HD12 LEU 81 HD12 LEU 81 4.066 3.462 -5.366 650 HD13 LEU 81 HD13 LEU 81 4.487 2.490 -3.964 651 HD21 LEU 81 HD21 LEU 81 1.313 0.581 -3.842 652 HD22 LEU 81 HD22 LEU 81 1.655 2.004 -2.857 653 HD23 LEU 81 HD23 LEU 81 2.915 0.755 -3.102 654 H MET 82 HN MET 82 -1.366 2.237 -6.298 655 HA MET 82 HA MET 82 -2.040 -0.217 -5.039 656 HB2 MET 82 HB2 MET 82 -3.899 1.598 -6.648 657 HB3 MET 82 HB3 MET 82 -4.384 0.334 -5.528 658 HG2 MET 82 HG2 MET 82 -3.058 2.972 -4.917 659 HG3 MET 82 HG3 MET 82 -4.640 2.430 -4.409 660 HE1 MET 82 HE1 MET 82 -5.145 1.046 -2.367 661 HE2 MET 82 HE2 MET 82 -4.299 -0.373 -3.044 662 HE3 MET 82 HE3 MET 82 -3.968 0.154 -1.383 663 H HIS 83 HN HIS 83 -2.344 0.871 -8.451 664 HA HIS 83 HA HIS 83 -3.558 -1.367 -9.479 665 HB2 HIS 83 HB2 HIS 83 -3.073 0.822 -10.641 666 HB3 HIS 83 HB3 HIS 83 -1.428 0.263 -10.932 667 HD1 HIS 83 HD1 HIS 83 -1.725 0.119 -13.609 668 HD2 HIS 83 HD2 HIS 83 -4.424 -2.158 -11.292 669 HE1 HIS 83 HE1 HIS 83 -2.913 -1.447 -15.194 670 H PHE 84 HN PHE 84 -0.059 -0.872 -9.045 671 HA PHE 84 HA PHE 84 0.951 -3.213 -10.233 672 HB2 PHE 84 HB2 PHE 84 2.370 -1.428 -9.344 673 HB3 PHE 84 HB3 PHE 84 1.842 -1.759 -7.722 674 HD1 PHE 84 HD1 PHE 84 2.473 -4.051 -6.626 675 HD2 PHE 84 HD2 PHE 84 4.309 -2.475 -10.202 676 HE1 PHE 84 HE1 PHE 84 4.443 -5.485 -6.258 677 HE2 PHE 84 HE2 PHE 84 6.310 -3.884 -9.773 678 HZ PHE 84 HZ PHE 84 6.366 -5.385 -7.810 679 H ALA 85 HN ALA 85 -0.651 -2.842 -7.059 680 HA ALA 85 HA ALA 85 0.140 -5.464 -6.136 681 HB1 ALA 85 HB1 ALA 85 -1.302 -5.026 -4.254 682 HB2 ALA 85 HB2 ALA 85 -0.384 -3.548 -4.618 683 HB3 ALA 85 HB3 ALA 85 -2.092 -3.676 -5.087 684 H THR 86 HN THR 86 -2.886 -4.028 -7.409 685 HA THR 86 HA THR 86 -4.379 -6.406 -7.533 686 HB THR 86 HB THR 86 -4.392 -3.929 -9.342 687 HG1 THR 86 HG1 THR 86 -5.734 -3.037 -7.881 688 HG21 THR 86 HG21 THR 86 -6.774 -4.360 -9.694 689 HG22 THR 86 HG22 THR 86 -6.660 -5.850 -8.728 690 HG23 THR 86 HG23 THR 86 -5.810 -5.723 -10.275 691 H GLU 87 HN GLU 87 -2.022 -5.012 -9.847 692 HA GLU 87 HA GLU 87 -2.463 -6.764 -11.972 693 HB2 GLU 87 HB2 GLU 87 -0.230 -4.990 -11.033 694 HB3 GLU 87 HB3 GLU 87 0.289 -6.314 -12.066 695 HG2 GLU 87 HG2 GLU 87 -1.743 -4.164 -12.747 696 HG3 GLU 87 HG3 GLU 87 -0.133 -4.333 -13.397 697 H ASN 88 HN ASN 88 0.086 -7.240 -9.238 698 HA ASN 88 HA ASN 88 0.608 -9.792 -10.576 699 HB2 ASN 88 HB2 ASN 88 1.787 -8.317 -8.284 700 HB3 ASN 88 HB3 ASN 88 2.439 -9.778 -8.844 701 HD21 ASN 88 HD21 ASN 88 2.405 -6.323 -9.177 702 HD22 ASN 88 HD22 ASN 88 3.298 -6.239 -10.656 703 H GLN 89 HN GLN 89 -1.509 -8.660 -8.230 704 HA GLN 89 HA GLN 89 -3.224 -9.632 -7.158 705 HB2 GLN 89 HB2 GLN 89 -2.013 -12.327 -7.792 706 HB3 GLN 89 HB3 GLN 89 -3.551 -12.070 -7.013 707 HG2 GLN 89 HG2 GLN 89 -3.021 -10.946 -9.778 708 HG3 GLN 89 HG3 GLN 89 -3.575 -12.597 -9.494 709 HE21 GLN 89 HE21 GLN 89 -4.596 -9.143 -9.257 710 HE22 GLN 89 HE22 GLN 89 -6.268 -9.552 -9.009 711 H LEU 90 HN LEU 90 -0.585 -8.710 -6.017 712 HA LEU 90 HA LEU 90 0.016 -10.353 -3.864 713 HB2 LEU 90 HB2 LEU 90 0.270 -7.338 -4.124 714 HB3 LEU 90 HB3 LEU 90 1.266 -8.431 -3.165 715 HG LEU 90 HG LEU 90 2.587 -8.440 -4.828 716 HD11 LEU 90 HD11 LEU 90 1.993 -10.623 -5.039 717 HD12 LEU 90 HD12 LEU 90 2.858 -9.925 -6.428 718 HD13 LEU 90 HD13 LEU 90 1.122 -10.219 -6.507 719 HD21 LEU 90 HD21 LEU 90 1.939 -6.398 -5.443 720 HD22 LEU 90 HD22 LEU 90 0.966 -7.153 -6.769 721 HD23 LEU 90 HD23 LEU 90 2.767 -7.299 -6.662 722 H ASN 91 HN ASN 91 -0.297 -9.962 -1.678 723 HA ASN 91 HA ASN 91 -3.007 -9.273 -0.986 724 HB2 ASN 91 HB2 ASN 91 -1.234 -10.938 0.099 725 HB3 ASN 91 HB3 ASN 91 -0.808 -9.523 1.071 726 HD21 ASN 91 HD21 ASN 91 -1.685 -11.476 2.531 727 HD22 ASN 91 HD22 ASN 91 -3.413 -11.548 2.789 728 H ILE 92 HN ILE 92 -3.633 -7.162 -1.070 729 HA ILE 92 HA ILE 92 -1.863 -4.920 -0.293 730 HB ILE 92 HB ILE 92 -4.876 -4.953 -0.763 731 HG12 ILE 92 HG12 ILE 92 -2.642 -4.008 -2.601 732 HG13 ILE 92 HG13 ILE 92 -3.552 -5.513 -2.824 733 HG21 ILE 92 HG21 ILE 92 -2.949 -2.582 -0.595 734 HG22 ILE 92 HG22 ILE 92 -4.719 -2.516 -0.754 735 HG23 ILE 92 HG23 ILE 92 -3.993 -3.095 0.736 736 HD11 ILE 92 HD11 ILE 92 -4.663 -2.702 -3.020 737 HD12 ILE 92 HD12 ILE 92 -4.461 -3.889 -4.313 738 HD13 ILE 92 HD13 ILE 92 -5.654 -4.182 -3.027 739 H LEU 93 HN LEU 93 -1.438 -4.704 1.883 740 HA LEU 93 HA LEU 93 -3.509 -5.531 3.813 741 HB2 LEU 93 HB2 LEU 93 -0.503 -5.330 4.019 742 HB3 LEU 93 HB3 LEU 93 -1.490 -5.035 5.432 743 HG LEU 93 HG LEU 93 -2.245 -7.181 5.613 744 HD11 LEU 93 HD11 LEU 93 -3.009 -7.819 3.464 745 HD12 LEU 93 HD12 LEU 93 -1.845 -9.014 4.015 746 HD13 LEU 93 HD13 LEU 93 -1.357 -7.801 2.797 747 HD21 LEU 93 HD21 LEU 93 0.593 -7.320 4.551 748 HD22 LEU 93 HD22 LEU 93 -0.174 -8.508 5.636 749 HD23 LEU 93 HD23 LEU 93 0.094 -6.846 6.187 750 H ASP 94 HN ASP 94 -3.802 -4.093 5.489 751 HA ASP 94 HA ASP 94 -3.601 -1.214 4.749 752 HB2 ASP 94 HB2 ASP 94 -5.753 -2.484 5.555 753 HB3 ASP 94 HB3 ASP 94 -5.138 -2.237 7.155 754 H ALA 95 HN ALA 95 -3.607 -0.028 6.964 755 HA ALA 95 HA ALA 95 -0.812 -0.098 7.710 756 HB1 ALA 95 HB1 ALA 95 -2.017 2.009 8.037 757 HB2 ALA 95 HB2 ALA 95 -2.973 1.297 9.371 758 HB3 ALA 95 HB3 ALA 95 -1.226 1.541 9.524 759 H GLU 96 HN GLU 96 -3.427 -1.835 9.220 760 HA GLU 96 HA GLU 96 -1.856 -2.515 11.618 761 HB2 GLU 96 HB2 GLU 96 -4.546 -3.280 10.475 762 HB3 GLU 96 HB3 GLU 96 -3.831 -4.256 11.756 763 HG2 GLU 96 HG2 GLU 96 -3.472 -2.049 13.058 764 HG3 GLU 96 HG3 GLU 96 -4.552 -1.301 11.875 765 H GLY 97 HN GLY 97 -2.664 -4.015 8.484 766 HA2 GLY 97 HA2 GLY 97 -1.149 -5.927 7.753 767 HA3 GLY 97 HA1 GLY 97 -1.278 -6.523 9.393 768 H ASN 98 HN ASN 98 -4.203 -5.150 8.520 769 HA ASN 98 HA ASN 98 -5.635 -7.632 8.039 770 HB2 ASN 98 HB2 ASN 98 -6.514 -4.753 7.558 771 HB3 ASN 98 HB3 ASN 98 -7.555 -6.141 7.750 772 HD21 ASN 98 HD21 ASN 98 -7.282 -3.541 9.445 773 HD22 ASN 98 HD22 ASN 98 -6.908 -4.114 11.042 774 H SER 99 HN SER 99 -6.006 -8.474 5.969 775 HA SER 99 HA SER 99 -5.038 -7.142 3.585 776 HB2 SER 99 HB2 SER 99 -6.381 -9.079 2.526 777 HB3 SER 99 HB3 SER 99 -4.853 -9.365 3.383 778 HG SER 99 HG SER 99 -7.419 -10.072 4.087 779 H ILE 100 HN ILE 100 -6.291 -6.017 2.168 780 HA ILE 100 HA ILE 100 -9.166 -5.422 2.519 781 HB ILE 100 HB ILE 100 -8.552 -2.985 2.431 782 HG12 ILE 100 HG12 ILE 100 -5.827 -3.643 3.566 783 HG13 ILE 100 HG13 ILE 100 -6.020 -3.623 1.829 784 HG21 ILE 100 HG21 ILE 100 -8.258 -2.710 4.814 785 HG22 ILE 100 HG22 ILE 100 -9.310 -4.099 4.529 786 HG23 ILE 100 HG23 ILE 100 -7.610 -4.345 4.985 787 HD11 ILE 100 HD11 ILE 100 -6.771 -1.279 3.606 788 HD12 ILE 100 HD12 ILE 100 -5.267 -1.434 2.669 789 HD13 ILE 100 HD13 ILE 100 -6.836 -1.355 1.836 790 H ASP 101 HN ASP 101 -9.300 -3.415 0.609 791 HA ASP 101 HA ASP 101 -8.052 -4.517 -1.865 792 HB2 ASP 101 HB2 ASP 101 -10.879 -3.619 -1.333 793 HB3 ASP 101 HB3 ASP 101 -10.194 -3.412 -2.930 794 H ALA 102 HN ALA 102 -7.830 -2.791 -3.456 795 HA ALA 102 HA ALA 102 -6.818 -0.346 -2.269 796 HB1 ALA 102 HB1 ALA 102 -7.409 -0.901 -5.215 797 HB2 ALA 102 HB2 ALA 102 -6.444 0.421 -4.566 798 HB3 ALA 102 HB3 ALA 102 -5.880 -1.260 -4.406 799 H ALA 103 HN ALA 103 -9.865 -1.276 -3.769 800 HA ALA 103 HA ALA 103 -11.154 1.159 -4.130 801 HB1 ALA 103 HB1 ALA 103 -12.325 -1.368 -2.855 802 HB2 ALA 103 HB2 ALA 103 -13.206 -0.137 -3.782 803 HB3 ALA 103 HB3 ALA 103 -12.022 -1.172 -4.597 804 H GLN 104 HN GLN 104 -10.491 -0.565 -1.133 805 HA GLN 104 HA GLN 104 -12.259 1.060 0.499 806 HB2 GLN 104 HB2 GLN 104 -10.259 -1.138 1.161 807 HB3 GLN 104 HB3 GLN 104 -11.455 -0.479 2.275 808 HG2 GLN 104 HG2 GLN 104 -12.666 -1.494 -0.266 809 HG3 GLN 104 HG3 GLN 104 -11.770 -2.706 0.621 810 HE21 GLN 104 HE21 GLN 104 -12.313 -2.993 2.915 811 HE22 GLN 104 HE22 GLN 104 -13.953 -2.729 3.469 812 H VAL 105 HN VAL 105 -9.422 1.849 -0.890 813 HA VAL 105 HA VAL 105 -8.314 3.364 1.447 814 HB VAL 105 HB VAL 105 -6.977 2.297 -1.075 815 HG11 VAL 105 HG11 VAL 105 -5.672 3.442 1.408 816 HG12 VAL 105 HG12 VAL 105 -4.847 2.745 -0.001 817 HG13 VAL 105 HG13 VAL 105 -5.772 4.232 -0.187 818 HG21 VAL 105 HG21 VAL 105 -7.610 0.418 0.442 819 HG22 VAL 105 HG22 VAL 105 -5.864 0.626 0.310 820 HG23 VAL 105 HG23 VAL 105 -6.724 1.212 1.754 821 H THR 106 HN THR 106 -9.850 3.582 -1.648 822 HA THR 106 HA THR 106 -8.535 6.085 -2.437 823 HB THR 106 HB THR 106 -9.591 5.550 -4.655 824 HG1 THR 106 HG1 THR 106 -11.100 3.974 -3.738 825 HG21 THR 106 HG21 THR 106 -7.595 3.636 -3.389 826 HG22 THR 106 HG22 THR 106 -7.250 5.179 -4.194 827 HG23 THR 106 HG23 THR 106 -7.861 3.812 -5.139 828 H GLU 107 HN GLU 107 -9.667 6.604 -0.499 829 HA GLU 107 HA GLU 107 -10.994 7.998 0.616 830 HB2 GLU 107 HB2 GLU 107 -10.814 9.041 -2.205 831 HB3 GLU 107 HB3 GLU 107 -11.501 9.910 -0.828 832 HG2 GLU 107 HG2 GLU 107 -8.826 8.825 -0.259 833 HG3 GLU 107 HG3 GLU 107 -8.849 9.969 -1.584 834 H ILE 108 HN ILE 108 -12.138 5.938 0.416 835 HA ILE 108 HA ILE 108 -14.430 5.207 -0.596 836 HB ILE 108 HB ILE 108 -14.388 5.039 2.395 837 HG12 ILE 108 HG12 ILE 108 -12.753 3.005 1.799 838 HG13 ILE 108 HG13 ILE 108 -12.133 4.085 0.605 839 HG21 ILE 108 HG21 ILE 108 -14.724 3.015 0.152 840 HG22 ILE 108 HG22 ILE 108 -15.011 2.726 1.887 841 HG23 ILE 108 HG23 ILE 108 -16.058 3.840 1.009 842 HD11 ILE 108 HD11 ILE 108 -11.812 5.827 2.479 843 HD12 ILE 108 HD12 ILE 108 -12.300 4.563 3.624 844 HD13 ILE 108 HD13 ILE 108 -10.827 4.369 2.660 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -28.810 -3.181 0.134 2 HA2 GLY 1 HA2 GLY 1 -26.148 -1.881 0.002 3 HA3 GLY 1 HA1 GLY 1 -27.256 -1.820 1.388 4 H MET 2 HN MET 2 -24.429 -3.089 0.611 5 HA MET 2 HA MET 2 -24.967 -5.880 1.479 6 HB2 MET 2 HB2 MET 2 -23.431 -5.018 -0.566 7 HB3 MET 2 HB3 MET 2 -22.216 -4.972 0.706 8 HG2 MET 2 HG2 MET 2 -23.826 -7.319 -0.320 9 HG3 MET 2 HG3 MET 2 -22.087 -7.056 -0.402 10 HE1 MET 2 HE1 MET 2 -22.461 -9.765 0.243 11 HE2 MET 2 HE2 MET 2 -20.920 -8.961 0.599 12 HE3 MET 2 HE3 MET 2 -21.653 -10.037 1.804 13 H GLY 3 HN GLY 3 -22.366 -3.476 2.177 14 HA2 GLY 3 HA2 GLY 3 -22.724 -2.385 4.492 15 HA3 GLY 3 HA1 GLY 3 -22.601 -4.049 5.093 16 H THR 4 HN THR 4 -20.902 -1.515 3.235 17 HA THR 4 HA THR 4 -18.303 -2.898 3.536 18 HB THR 4 HB THR 4 -18.107 -2.447 1.038 19 HG1 THR 4 HG1 THR 4 -19.594 -1.083 0.505 20 HG21 THR 4 HG21 THR 4 -19.469 -4.358 0.343 21 HG22 THR 4 HG22 THR 4 -20.370 -4.325 1.852 22 HG23 THR 4 HG23 THR 4 -18.640 -4.694 1.875 23 H THR 5 HN THR 5 -19.130 -0.623 5.044 24 HA THR 5 HA THR 5 -17.683 1.647 3.780 25 HB THR 5 HB THR 5 -20.205 2.552 4.908 26 HG1 THR 5 HG1 THR 5 -21.208 0.703 4.385 27 HG21 THR 5 HG21 THR 5 -18.726 3.692 3.238 28 HG22 THR 5 HG22 THR 5 -20.425 3.618 2.766 29 HG23 THR 5 HG23 THR 5 -19.243 2.508 2.019 30 H GLU 6 HN GLU 6 -17.378 -0.143 6.204 31 HA GLU 6 HA GLU 6 -17.565 1.352 8.642 32 HB2 GLU 6 HB2 GLU 6 -16.001 -0.407 9.409 33 HB3 GLU 6 HB3 GLU 6 -17.416 -1.016 8.582 34 HG2 GLU 6 HG2 GLU 6 -15.757 -1.018 6.435 35 HG3 GLU 6 HG3 GLU 6 -14.523 -1.050 7.692 36 H LYS 7 HN LYS 7 -15.685 2.260 9.831 37 HA LYS 7 HA LYS 7 -13.548 3.334 8.036 38 HB2 LYS 7 HB2 LYS 7 -15.048 4.625 10.372 39 HB3 LYS 7 HB3 LYS 7 -13.452 5.161 9.855 40 HG2 LYS 7 HG2 LYS 7 -14.791 6.586 8.700 41 HG3 LYS 7 HG3 LYS 7 -14.408 5.362 7.490 42 HD2 LYS 7 HD2 LYS 7 -16.646 4.305 7.971 43 HD3 LYS 7 HD3 LYS 7 -17.003 5.660 9.056 44 HE2 LYS 7 HE2 LYS 7 -16.868 7.223 7.194 45 HE3 LYS 7 HE3 LYS 7 -16.273 5.951 6.115 46 HZ1 LYS 7 HZ1 LYS 7 -18.636 6.304 5.799 47 HZ2 LYS 7 HZ2 LYS 7 -18.947 5.991 7.380 48 HZ3 LYS 7 HZ3 LYS 7 -18.367 4.806 6.376 49 H SER 8 HN SER 8 -11.485 3.726 9.161 50 HA SER 8 HA SER 8 -11.067 2.232 11.645 51 HB2 SER 8 HB2 SER 8 -10.864 0.671 9.653 52 HB3 SER 8 HB3 SER 8 -9.528 1.687 9.066 53 HG SER 8 HG SER 8 -8.964 -0.193 10.402 54 H GLY 9 HN GLY 9 -8.650 2.519 12.184 55 HA2 GLY 9 HA2 GLY 9 -7.965 5.410 11.902 56 HA3 GLY 9 HA1 GLY 9 -7.562 4.375 13.257 57 H ILE 10 HN ILE 10 -7.230 3.683 9.745 58 HA ILE 10 HA ILE 10 -4.469 2.839 10.109 59 HB ILE 10 HB ILE 10 -6.389 2.758 7.733 60 HG12 ILE 10 HG12 ILE 10 -5.539 0.499 9.581 61 HG13 ILE 10 HG13 ILE 10 -7.011 1.388 9.820 62 HG21 ILE 10 HG21 ILE 10 -4.058 2.693 6.990 63 HG22 ILE 10 HG22 ILE 10 -3.662 1.472 8.212 64 HG23 ILE 10 HG23 ILE 10 -4.721 1.080 6.835 65 HD11 ILE 10 HD11 ILE 10 -7.500 -0.692 8.667 66 HD12 ILE 10 HD12 ILE 10 -7.908 0.703 7.653 67 HD13 ILE 10 HD13 ILE 10 -6.446 -0.244 7.322 68 H LYS 11 HN LYS 11 -2.733 4.110 9.520 69 HA LYS 11 HA LYS 11 -3.124 6.298 7.578 70 HB2 LYS 11 HB2 LYS 11 -1.379 6.355 10.066 71 HB3 LYS 11 HB3 LYS 11 -1.607 7.648 8.905 72 HG2 LYS 11 HG2 LYS 11 -3.002 8.281 10.602 73 HG3 LYS 11 HG3 LYS 11 -4.098 7.554 9.450 74 HD2 LYS 11 HD2 LYS 11 -4.941 6.669 11.373 75 HD3 LYS 11 HD3 LYS 11 -3.730 5.418 11.040 76 HE2 LYS 11 HE2 LYS 11 -2.113 6.670 12.417 77 HE3 LYS 11 HE3 LYS 11 -3.498 7.687 12.920 78 HZ1 LYS 11 HZ1 LYS 11 -3.674 6.043 14.520 79 HZ2 LYS 11 HZ2 LYS 11 -2.891 4.908 13.599 80 HZ3 LYS 11 HZ3 LYS 11 -4.434 5.219 13.316 81 H GLU 12 HN GLU 12 -1.902 3.495 7.444 82 HA GLU 12 HA GLU 12 -0.475 4.301 5.225 83 HB2 GLU 12 HB2 GLU 12 1.697 3.486 5.448 84 HB3 GLU 12 HB3 GLU 12 1.411 4.334 6.975 85 HG2 GLU 12 HG2 GLU 12 1.075 2.242 8.067 86 HG3 GLU 12 HG3 GLU 12 1.381 1.377 6.528 87 H ILE 13 HN ILE 13 -0.067 2.274 3.822 88 HA ILE 13 HA ILE 13 -1.559 -0.101 4.851 89 HB ILE 13 HB ILE 13 -2.086 -0.698 2.536 90 HG12 ILE 13 HG12 ILE 13 -1.319 2.088 1.625 91 HG13 ILE 13 HG13 ILE 13 -0.109 0.795 1.670 92 HG21 ILE 13 HG21 ILE 13 -3.200 2.063 3.168 93 HG22 ILE 13 HG22 ILE 13 -3.938 0.756 2.203 94 HG23 ILE 13 HG23 ILE 13 -3.726 0.553 3.941 95 HD11 ILE 13 HD11 ILE 13 -1.489 -0.641 0.326 96 HD12 ILE 13 HD12 ILE 13 -2.651 0.684 0.092 97 HD13 ILE 13 HD13 ILE 13 -0.981 0.839 -0.519 98 H ILE 14 HN ILE 14 -0.638 -2.149 3.645 99 HA ILE 14 HA ILE 14 2.232 -1.797 3.176 100 HB ILE 14 HB ILE 14 1.042 -3.622 5.321 101 HG12 ILE 14 HG12 ILE 14 2.950 -1.256 5.541 102 HG13 ILE 14 HG13 ILE 14 1.284 -1.324 6.109 103 HG21 ILE 14 HG21 ILE 14 3.951 -3.444 4.439 104 HG22 ILE 14 HG22 ILE 14 3.270 -4.485 5.721 105 HG23 ILE 14 HG23 ILE 14 2.830 -4.788 4.066 106 HD11 ILE 14 HD11 ILE 14 2.641 -1.538 8.020 107 HD12 ILE 14 HD12 ILE 14 1.948 -3.146 7.714 108 HD13 ILE 14 HD13 ILE 14 3.638 -2.788 7.271 109 H ILE 15 HN ILE 15 2.447 -2.547 1.209 110 HA ILE 15 HA ILE 15 0.720 -4.738 0.240 111 HB ILE 15 HB ILE 15 3.082 -3.463 -1.159 112 HG12 ILE 15 HG12 ILE 15 1.694 -1.599 -0.726 113 HG13 ILE 15 HG13 ILE 15 1.530 -2.036 -2.406 114 HG21 ILE 15 HG21 ILE 15 2.403 -5.604 -2.095 115 HG22 ILE 15 HG22 ILE 15 0.701 -5.121 -2.104 116 HG23 ILE 15 HG23 ILE 15 1.861 -4.334 -3.196 117 HD11 ILE 15 HD11 ILE 15 -0.600 -1.427 -1.662 118 HD12 ILE 15 HD12 ILE 15 -0.642 -3.190 -1.847 119 HD13 ILE 15 HD13 ILE 15 -0.494 -2.505 -0.229 120 H GLN 16 HN GLN 16 1.221 -6.783 1.028 121 HA GLN 16 HA GLN 16 3.740 -7.432 2.101 122 HB2 GLN 16 HB2 GLN 16 1.376 -8.562 2.429 123 HB3 GLN 16 HB3 GLN 16 1.769 -9.459 0.974 124 HG2 GLN 16 HG2 GLN 16 3.406 -10.726 2.040 125 HG3 GLN 16 HG3 GLN 16 3.899 -9.383 3.036 126 HE21 GLN 16 HE21 GLN 16 3.975 -10.358 5.071 127 HE22 GLN 16 HE22 GLN 16 2.541 -10.915 5.871 128 H GLY 17 HN GLY 17 5.286 -9.010 1.307 129 HA2 GLY 17 HA2 GLY 17 5.796 -8.877 -1.607 130 HA3 GLY 17 HA1 GLY 17 6.894 -9.473 -0.357 131 H LEU 18 HN LEU 18 3.622 -10.669 -0.188 132 HA LEU 18 HA LEU 18 4.354 -13.284 -1.395 133 HB2 LEU 18 HB2 LEU 18 2.757 -12.557 1.058 134 HB3 LEU 18 HB3 LEU 18 2.146 -13.834 0.046 135 HG LEU 18 HG LEU 18 4.056 -15.216 0.346 136 HD11 LEU 18 HD11 LEU 18 5.901 -13.585 0.391 137 HD12 LEU 18 HD12 LEU 18 5.933 -14.568 1.864 138 HD13 LEU 18 HD13 LEU 18 5.266 -12.920 1.894 139 HD21 LEU 18 HD21 LEU 18 3.896 -15.566 2.780 140 HD22 LEU 18 HD22 LEU 18 2.305 -15.142 2.131 141 HD23 LEU 18 HD23 LEU 18 3.250 -13.924 3.002 142 H THR 19 HN THR 19 2.744 -14.161 -2.716 143 HA THR 19 HA THR 19 0.866 -12.204 -3.885 144 HB THR 19 HB THR 19 0.510 -13.813 -5.623 145 HG1 THR 19 HG1 THR 19 1.371 -15.783 -5.657 146 HG21 THR 19 HG21 THR 19 2.618 -12.433 -5.711 147 HG22 THR 19 HG22 THR 19 2.703 -13.935 -6.607 148 HG23 THR 19 HG23 THR 19 3.506 -13.837 -5.045 149 H ARG 20 HN ARG 20 -1.414 -13.151 -4.318 150 HA ARG 20 HA ARG 20 -2.813 -13.808 -2.052 151 HB2 ARG 20 HB2 ARG 20 -4.598 -14.414 -3.358 152 HB3 ARG 20 HB3 ARG 20 -3.766 -13.210 -4.303 153 HG2 ARG 20 HG2 ARG 20 -3.053 -16.007 -5.052 154 HG3 ARG 20 HG3 ARG 20 -4.780 -15.679 -5.124 155 HD2 ARG 20 HD2 ARG 20 -4.198 -13.644 -6.558 156 HD3 ARG 20 HD3 ARG 20 -2.538 -14.253 -6.541 157 HE ARG 20 HE ARG 20 -3.103 -15.859 -8.087 158 HH11 ARG 20 HH11 ARG 20 -6.142 -14.472 -6.822 159 HH12 ARG 20 HH12 ARG 20 -7.144 -15.355 -7.925 160 HH21 ARG 20 HH21 ARG 20 -4.479 -16.970 -9.639 161 HH22 ARG 20 HH22 ARG 20 -6.141 -16.565 -9.682 162 H ALA 21 HN ALA 21 -0.891 -15.932 -3.889 163 HA ALA 21 HA ALA 21 -2.005 -18.439 -2.945 164 HB1 ALA 21 HB1 ALA 21 0.616 -17.936 -4.429 165 HB2 ALA 21 HB2 ALA 21 -0.300 -19.459 -4.329 166 HB3 ALA 21 HB3 ALA 21 -0.968 -18.081 -5.221 167 H GLY 22 HN GLY 22 -0.120 -16.181 -1.334 168 HA2 GLY 22 HA2 GLY 22 1.156 -16.238 0.503 169 HA3 GLY 22 HA1 GLY 22 0.750 -17.944 0.728 170 H LYS 23 HN LYS 23 2.198 -17.205 -2.325 171 HA LYS 23 HA LYS 23 4.787 -18.405 -1.515 172 HB2 LYS 23 HB2 LYS 23 3.392 -17.858 -4.151 173 HB3 LYS 23 HB3 LYS 23 5.125 -18.036 -4.107 174 HG2 LYS 23 HG2 LYS 23 4.302 -20.136 -4.694 175 HG3 LYS 23 HG3 LYS 23 4.857 -20.282 -3.020 176 HD2 LYS 23 HD2 LYS 23 2.593 -20.363 -2.188 177 HD3 LYS 23 HD3 LYS 23 1.935 -19.867 -3.776 178 HE2 LYS 23 HE2 LYS 23 2.864 -21.927 -4.800 179 HE3 LYS 23 HE3 LYS 23 3.500 -22.413 -3.234 180 HZ1 LYS 23 HZ1 LYS 23 0.604 -22.191 -3.869 181 HZ2 LYS 23 HZ2 LYS 23 1.262 -22.633 -2.416 182 HZ3 LYS 23 HZ3 LYS 23 1.503 -23.546 -3.740 183 HA PRO 24 HA PRO 24 6.362 -14.193 -1.583 184 HB2 PRO 24 HB2 PRO 24 9.068 -14.637 -1.778 185 HB3 PRO 24 HB3 PRO 24 8.119 -14.906 -0.286 186 HG2 PRO 24 HG2 PRO 24 9.024 -16.954 -2.311 187 HG3 PRO 24 HG3 PRO 24 9.026 -17.075 -0.535 188 HD2 PRO 24 HD2 PRO 24 7.069 -18.150 -2.177 189 HD3 PRO 24 HD3 PRO 24 6.732 -17.630 -0.502 190 H PHE 25 HN PHE 25 7.029 -12.610 -3.111 191 HA PHE 25 HA PHE 25 6.769 -13.475 -5.897 192 HB2 PHE 25 HB2 PHE 25 5.482 -11.621 -4.856 193 HB3 PHE 25 HB3 PHE 25 6.982 -10.748 -4.565 194 HD1 PHE 25 HD2 PHE 25 5.217 -12.467 -7.455 195 HD2 PHE 25 HD1 PHE 25 7.391 -8.990 -6.073 196 HE1 PHE 25 HE2 PHE 25 4.983 -11.425 -9.680 197 HE2 PHE 25 HE1 PHE 25 7.117 -7.947 -8.291 198 HZ PHE 25 HZ PHE 25 5.972 -9.187 -10.122 199 H ARG 26 HN ARG 26 8.278 -12.609 -7.545 200 HA ARG 26 HA ARG 26 10.875 -11.782 -6.541 201 HB2 ARG 26 HB2 ARG 26 10.502 -13.726 -8.814 202 HB3 ARG 26 HB3 ARG 26 11.961 -12.820 -8.617 203 HG2 ARG 26 HG2 ARG 26 10.888 -14.642 -6.446 204 HG3 ARG 26 HG3 ARG 26 12.001 -15.178 -7.700 205 HD2 ARG 26 HD2 ARG 26 12.998 -12.727 -6.448 206 HD3 ARG 26 HD3 ARG 26 12.637 -13.940 -5.213 207 HE ARG 26 HE ARG 26 14.012 -15.403 -7.051 208 HH11 ARG 26 HH11 ARG 26 14.922 -12.375 -5.312 209 HH12 ARG 26 HH12 ARG 26 16.573 -12.528 -5.746 210 HH21 ARG 26 HH21 ARG 26 16.148 -15.654 -7.390 211 HH22 ARG 26 HH22 ARG 26 17.334 -14.543 -6.774 212 HA PRO 27 HA PRO 27 12.724 -10.889 -8.001 213 HB2 PRO 27 HB2 PRO 27 13.636 -8.291 -7.873 214 HB3 PRO 27 HB3 PRO 27 13.426 -9.135 -9.438 215 HG2 PRO 27 HG2 PRO 27 11.487 -7.246 -8.073 216 HG3 PRO 27 HG3 PRO 27 12.044 -7.203 -9.768 217 HD2 PRO 27 HD2 PRO 27 9.687 -8.387 -9.054 218 HD3 PRO 27 HD3 PRO 27 10.713 -9.072 -10.345 219 H SER 28 HN SER 28 13.892 -10.223 -5.856 220 HA SER 28 HA SER 28 11.983 -9.901 -3.692 221 HB2 SER 28 HB2 SER 28 14.299 -9.398 -2.498 222 HB3 SER 28 HB3 SER 28 13.824 -11.031 -2.950 223 HG SER 28 HG SER 28 15.646 -9.385 -4.426 224 H ASP 29 HN ASP 29 14.231 -7.992 -5.485 225 HA ASP 29 HA ASP 29 14.300 -5.591 -4.160 226 HB2 ASP 29 HB2 ASP 29 14.970 -6.391 -7.024 227 HB3 ASP 29 HB3 ASP 29 15.528 -4.929 -6.221 228 H TRP 30 HN TRP 30 11.569 -6.614 -5.415 229 HA TRP 30 HA TRP 30 10.682 -4.581 -7.224 230 HB2 TRP 30 HB2 TRP 30 8.505 -5.459 -6.843 231 HB3 TRP 30 HB3 TRP 30 9.572 -6.836 -6.771 232 HD1 TRP 30 HD1 TRP 30 9.638 -8.186 -4.405 233 HE1 TRP 30 HE1 TRP 30 8.440 -7.889 -2.179 234 HE3 TRP 30 HE3 TRP 30 7.332 -3.672 -5.138 235 HZ2 TRP 30 HZ2 TRP 30 5.894 -6.573 -1.357 236 HZ3 TRP 30 HZ3 TRP 30 5.595 -2.914 -3.567 237 HH2 TRP 30 HH2 TRP 30 4.848 -4.398 -1.713 238 H VAL 31 HN VAL 31 11.142 -4.656 -3.774 239 HA VAL 31 HA VAL 31 9.524 -2.444 -2.999 240 HB VAL 31 HB VAL 31 11.995 -3.804 -1.860 241 HG11 VAL 31 HG11 VAL 31 12.231 -1.951 -0.601 242 HG12 VAL 31 HG12 VAL 31 10.588 -1.381 -0.871 243 HG13 VAL 31 HG13 VAL 31 10.882 -2.659 0.332 244 HG21 VAL 31 HG21 VAL 31 9.031 -3.998 -1.216 245 HG22 VAL 31 HG22 VAL 31 10.049 -5.243 -1.985 246 HG23 VAL 31 HG23 VAL 31 10.349 -4.792 -0.314 247 H ASP 32 HN ASP 32 12.999 -2.688 -3.922 248 HA ASP 32 HA ASP 32 13.683 0.002 -3.453 249 HB2 ASP 32 HB2 ASP 32 14.728 -1.987 -5.509 250 HB3 ASP 32 HB3 ASP 32 15.459 -0.409 -5.232 251 H ARG 33 HN ARG 33 12.557 -1.670 -6.346 252 HA ARG 33 HA ARG 33 12.839 0.473 -8.152 253 HB2 ARG 33 HB2 ARG 33 11.878 -0.715 -9.751 254 HB3 ARG 33 HB3 ARG 33 12.554 -1.889 -8.604 255 HG2 ARG 33 HG2 ARG 33 10.857 -2.963 -8.558 256 HG3 ARG 33 HG3 ARG 33 9.878 -1.694 -7.860 257 HD2 ARG 33 HD2 ARG 33 10.200 -2.246 -10.830 258 HD3 ARG 33 HD3 ARG 33 8.772 -2.538 -9.829 259 HE ARG 33 HE ARG 33 9.848 0.221 -10.076 260 HH11 ARG 33 HH11 ARG 33 7.297 -2.048 -11.144 261 HH12 ARG 33 HH12 ARG 33 6.197 -0.807 -11.566 262 HH21 ARG 33 HH21 ARG 33 8.285 1.896 -10.495 263 HH22 ARG 33 HH22 ARG 33 6.720 1.455 -11.048 264 H MET 34 HN MET 34 10.190 -0.514 -6.248 265 HA MET 34 HA MET 34 8.259 1.487 -6.969 266 HB2 MET 34 HB2 MET 34 8.625 -0.548 -4.799 267 HB3 MET 34 HB3 MET 34 7.549 0.808 -4.439 268 HG2 MET 34 HG2 MET 34 7.318 -0.607 -7.091 269 HG3 MET 34 HG3 MET 34 6.609 -1.331 -5.654 270 HE1 MET 34 HE1 MET 34 4.449 1.180 -4.048 271 HE2 MET 34 HE2 MET 34 3.850 -0.241 -4.921 272 HE3 MET 34 HE3 MET 34 5.382 -0.347 -4.070 273 H CYS 35 HN CYS 35 10.587 1.394 -4.150 274 HA CYS 35 HA CYS 35 9.690 3.964 -3.296 275 HB2 CYS 35 HB2 CYS 35 11.464 4.049 -1.788 276 HB3 CYS 35 HB3 CYS 35 10.921 2.353 -1.863 277 HG CYS 35 HG CYS 35 12.849 1.752 -3.695 278 H SER 36 HN SER 36 12.225 3.070 -5.606 279 HA SER 36 HA SER 36 13.203 5.655 -6.185 280 HB2 SER 36 HB2 SER 36 13.911 3.185 -6.888 281 HB3 SER 36 HB3 SER 36 12.997 3.610 -8.344 282 HG SER 36 HG SER 36 14.371 5.279 -8.727 283 H THR 37 HN THR 37 10.171 4.149 -7.180 284 HA THR 37 HA THR 37 9.690 5.881 -9.464 285 HB THR 37 HB THR 37 7.935 3.940 -7.902 286 HG1 THR 37 HG1 THR 37 9.721 3.012 -8.974 287 HG21 THR 37 HG21 THR 37 6.520 3.876 -9.947 288 HG22 THR 37 HG22 THR 37 7.382 5.299 -10.560 289 HG23 THR 37 HG23 THR 37 6.424 5.401 -9.068 290 H TYR 38 HN TYR 38 9.410 6.234 -6.052 291 HA TYR 38 HA TYR 38 7.921 8.785 -6.437 292 HB2 TYR 38 HB2 TYR 38 7.723 6.878 -4.076 293 HB3 TYR 38 HB3 TYR 38 6.960 8.462 -4.196 294 HD1 TYR 38 HD2 TYR 38 5.143 8.864 -5.908 295 HD2 TYR 38 HD1 TYR 38 6.807 4.941 -5.211 296 HE1 TYR 38 HE2 TYR 38 3.250 7.846 -7.111 297 HE2 TYR 38 HE1 TYR 38 4.908 3.918 -6.411 298 HH TYR 38 HH TYR 38 2.015 5.502 -7.035 299 H ALA 39 HN ALA 39 10.542 8.730 -6.916 300 HA ALA 39 HA ALA 39 11.792 9.942 -4.499 301 HB1 ALA 39 HB1 ALA 39 13.834 8.733 -4.998 302 HB2 ALA 39 HB2 ALA 39 12.507 7.561 -4.990 303 HB3 ALA 39 HB3 ALA 39 13.172 8.126 -6.525 304 H SER 40 HN SER 40 13.418 11.507 -5.003 305 HA SER 40 HA SER 40 13.603 12.429 -7.830 306 HB2 SER 40 HB2 SER 40 12.021 13.723 -5.805 307 HB3 SER 40 HB3 SER 40 13.480 14.703 -6.037 308 HG SER 40 HG SER 40 12.202 15.404 -7.568 309 H PHE 41 HN PHE 41 15.443 13.378 -8.387 310 HA PHE 41 HA PHE 41 17.742 12.795 -6.677 311 HB2 PHE 41 HB2 PHE 41 17.448 13.881 -9.507 312 HB3 PHE 41 HB3 PHE 41 18.987 13.633 -8.673 313 HD1 PHE 41 HD1 PHE 41 15.893 11.823 -9.906 314 HD2 PHE 41 HD2 PHE 41 19.981 11.461 -8.590 315 HE1 PHE 41 HE1 PHE 41 15.868 9.418 -10.445 316 HE2 PHE 41 HE2 PHE 41 19.969 9.072 -9.212 317 HZ PHE 41 HZ PHE 41 17.875 8.027 -10.077 318 H GLY 42 HN GLY 42 19.073 14.353 -5.807 319 HA2 GLY 42 HA2 GLY 42 17.895 17.050 -5.415 320 HA3 GLY 42 HA1 GLY 42 19.293 16.357 -4.586 321 H ALA 43 HN ALA 43 20.341 18.511 -5.202 322 HA ALA 43 HA ALA 43 20.861 19.093 -7.992 323 HB1 ALA 43 HB1 ALA 43 20.912 20.800 -6.169 324 HB2 ALA 43 HB2 ALA 43 22.342 19.985 -5.481 325 HB3 ALA 43 HB3 ALA 43 22.432 20.730 -7.088 326 H ASP 44 HN ASP 44 22.102 16.674 -5.918 327 HA ASP 44 HA ASP 44 24.894 16.888 -6.873 328 HB2 ASP 44 HB2 ASP 44 23.844 17.128 -4.423 329 HB3 ASP 44 HB3 ASP 44 23.962 15.371 -4.456 330 H ARG 45 HN ARG 45 22.748 15.421 -8.333 331 HA ARG 45 HA ARG 45 22.113 13.516 -9.271 332 HB2 ARG 45 HB2 ARG 45 25.017 13.671 -9.579 333 HB3 ARG 45 HB3 ARG 45 24.488 12.007 -9.596 334 HG2 ARG 45 HG2 ARG 45 24.289 12.588 -11.835 335 HG3 ARG 45 HG3 ARG 45 22.626 12.786 -11.239 336 HD2 ARG 45 HD2 ARG 45 23.162 15.249 -10.893 337 HD3 ARG 45 HD3 ARG 45 24.701 14.973 -11.699 338 HE ARG 45 HE ARG 45 23.336 14.105 -13.658 339 HH11 ARG 45 HH11 ARG 45 21.777 16.413 -11.454 340 HH12 ARG 45 HH12 ARG 45 20.736 17.070 -12.656 341 HH21 ARG 45 HH21 ARG 45 21.950 14.810 -15.148 342 HH22 ARG 45 HH22 ARG 45 20.936 16.209 -14.931 343 H LYS 46 HN LYS 46 22.988 13.128 -6.131 344 HA LYS 46 HA LYS 46 22.339 10.272 -6.020 345 HB2 LYS 46 HB2 LYS 46 22.556 12.413 -3.872 346 HB3 LYS 46 HB3 LYS 46 22.202 10.702 -3.584 347 HG2 LYS 46 HG2 LYS 46 24.440 10.376 -5.060 348 HG3 LYS 46 HG3 LYS 46 24.784 12.000 -4.437 349 HD2 LYS 46 HD2 LYS 46 24.442 11.124 -2.108 350 HD3 LYS 46 HD3 LYS 46 24.086 9.524 -2.795 351 HE2 LYS 46 HE2 LYS 46 26.422 9.809 -3.987 352 HE3 LYS 46 HE3 LYS 46 26.695 11.065 -2.773 353 HZ1 LYS 46 HZ1 LYS 46 26.280 8.196 -2.348 354 HZ2 LYS 46 HZ2 LYS 46 26.035 9.277 -1.137 355 HZ3 LYS 46 HZ3 LYS 46 27.521 9.190 -1.804 356 H LEU 47 HN LEU 47 20.402 9.682 -4.629 357 HA LEU 47 HA LEU 47 18.022 11.043 -5.666 358 HB2 LEU 47 HB2 LEU 47 18.758 8.896 -6.783 359 HB3 LEU 47 HB3 LEU 47 18.784 8.154 -5.197 360 HG LEU 47 HG LEU 47 16.516 8.251 -4.904 361 HD11 LEU 47 HD11 LEU 47 15.172 9.036 -7.124 362 HD12 LEU 47 HD12 LEU 47 16.637 10.001 -7.337 363 HD13 LEU 47 HD13 LEU 47 15.666 10.187 -5.870 364 HD21 LEU 47 HD21 LEU 47 15.819 6.715 -6.694 365 HD22 LEU 47 HD22 LEU 47 17.533 6.423 -6.308 366 HD23 LEU 47 HD23 LEU 47 17.098 7.333 -7.765 367 H ARG 48 HN ARG 48 16.299 11.158 -4.238 368 HA ARG 48 HA ARG 48 16.598 9.974 -1.528 369 HB2 ARG 48 HB2 ARG 48 15.732 12.771 -2.340 370 HB3 ARG 48 HB3 ARG 48 15.087 12.038 -0.877 371 HG2 ARG 48 HG2 ARG 48 18.064 12.419 -1.440 372 HG3 ARG 48 HG3 ARG 48 17.057 13.504 -0.461 373 HD2 ARG 48 HD2 ARG 48 16.548 11.646 1.093 374 HD3 ARG 48 HD3 ARG 48 17.601 10.570 0.150 375 HE ARG 48 HE ARG 48 19.121 12.837 0.850 376 HH11 ARG 48 HH11 ARG 48 17.752 9.892 2.304 377 HH12 ARG 48 HH12 ARG 48 18.999 9.780 3.495 378 HH21 ARG 48 HH21 ARG 48 20.603 12.774 2.507 379 HH22 ARG 48 HH22 ARG 48 20.530 11.573 3.763 380 H TYR 49 HN TYR 49 15.096 8.552 -1.181 381 HA TYR 49 HA TYR 49 12.674 8.271 -2.763 382 HB2 TYR 49 HB2 TYR 49 13.435 7.070 -0.077 383 HB3 TYR 49 HB3 TYR 49 12.240 6.452 -1.202 384 HD1 TYR 49 HD2 TYR 49 13.537 6.290 -3.755 385 HD2 TYR 49 HD1 TYR 49 15.243 5.598 0.115 386 HE1 TYR 49 HE2 TYR 49 15.272 4.873 -4.810 387 HE2 TYR 49 HE1 TYR 49 16.920 4.072 -0.901 388 HH TYR 49 HH TYR 49 17.385 2.746 -2.848 389 H SER 50 HN SER 50 10.550 8.682 -1.870 390 HA SER 50 HA SER 50 10.375 11.012 -0.125 391 HB2 SER 50 HB2 SER 50 8.324 9.116 -1.347 392 HB3 SER 50 HB3 SER 50 7.860 10.379 -0.198 393 HG SER 50 HG SER 50 8.857 11.912 -1.577 394 HA PRO 51 HA PRO 51 10.218 8.919 3.750 395 HB2 PRO 51 HB2 PRO 51 8.528 10.464 5.262 396 HB3 PRO 51 HB3 PRO 51 10.169 10.974 4.769 397 HG2 PRO 51 HG2 PRO 51 7.526 11.632 3.421 398 HG3 PRO 51 HG3 PRO 51 8.845 12.761 3.877 399 HD2 PRO 51 HD2 PRO 51 8.623 11.815 1.366 400 HD3 PRO 51 HD3 PRO 51 10.228 12.013 2.127 401 H TYR 52 HN TYR 52 7.395 9.236 1.825 402 HA TYR 52 HA TYR 52 5.530 7.874 3.471 403 HB2 TYR 52 HB2 TYR 52 5.423 8.290 0.442 404 HB3 TYR 52 HB3 TYR 52 4.082 7.933 1.500 405 HD1 TYR 52 HD2 TYR 52 4.216 9.737 3.711 406 HD2 TYR 52 HD1 TYR 52 5.349 10.466 -0.393 407 HE1 TYR 52 HE2 TYR 52 3.794 12.036 4.055 408 HE2 TYR 52 HE1 TYR 52 4.840 12.845 -0.105 409 HH TYR 52 HH TYR 52 4.117 14.498 1.323 410 H LEU 53 HN LEU 53 8.169 6.515 1.977 411 HA LEU 53 HA LEU 53 6.794 3.928 1.524 412 HB2 LEU 53 HB2 LEU 53 7.697 5.922 -0.422 413 HB3 LEU 53 HB3 LEU 53 8.564 4.409 -0.656 414 HG LEU 53 HG LEU 53 5.808 3.675 -0.305 415 HD11 LEU 53 HD11 LEU 53 4.691 4.928 -2.100 416 HD12 LEU 53 HD12 LEU 53 6.107 5.983 -2.262 417 HD13 LEU 53 HD13 LEU 53 5.158 5.984 -0.757 418 HD21 LEU 53 HD21 LEU 53 7.496 2.526 -1.697 419 HD22 LEU 53 HD22 LEU 53 7.408 3.853 -2.879 420 HD23 LEU 53 HD23 LEU 53 5.985 2.837 -2.561 421 H LYS 54 HN LYS 54 7.840 2.709 2.940 422 HA LYS 54 HA LYS 54 10.801 2.669 2.922 423 HB2 LYS 54 HB2 LYS 54 9.042 2.956 5.398 424 HB3 LYS 54 HB3 LYS 54 10.624 2.179 5.459 425 HG2 LYS 54 HG2 LYS 54 11.600 4.268 4.377 426 HG3 LYS 54 HG3 LYS 54 10.051 5.063 4.692 427 HD2 LYS 54 HD2 LYS 54 11.853 3.773 6.817 428 HD3 LYS 54 HD3 LYS 54 11.834 5.486 6.402 429 HE2 LYS 54 HE2 LYS 54 9.227 5.261 6.899 430 HE3 LYS 54 HE3 LYS 54 9.734 3.856 7.838 431 HZ1 LYS 54 HZ1 LYS 54 10.641 6.652 8.180 432 HZ2 LYS 54 HZ2 LYS 54 11.237 5.406 9.084 433 HZ3 LYS 54 HZ3 LYS 54 9.668 5.851 9.190 434 HA PRO 55 HA PRO 55 9.836 -1.728 2.917 435 HB2 PRO 55 HB2 PRO 55 12.225 -2.801 3.635 436 HB3 PRO 55 HB3 PRO 55 12.025 -1.991 2.063 437 HG2 PRO 55 HG2 PRO 55 13.147 -0.782 4.598 438 HG3 PRO 55 HG3 PRO 55 13.859 -0.766 2.943 439 HD2 PRO 55 HD2 PRO 55 12.382 1.318 3.915 440 HD3 PRO 55 HD3 PRO 55 12.313 0.837 2.189 441 H ARG 56 HN ARG 56 9.823 -3.496 4.554 442 HA ARG 56 HA ARG 56 10.371 -2.791 7.320 443 HB2 ARG 56 HB2 ARG 56 7.683 -3.789 6.333 444 HB3 ARG 56 HB3 ARG 56 8.264 -4.080 7.986 445 HG2 ARG 56 HG2 ARG 56 8.643 -1.676 8.313 446 HG3 ARG 56 HG3 ARG 56 7.943 -1.338 6.712 447 HD2 ARG 56 HD2 ARG 56 5.897 -2.501 7.395 448 HD3 ARG 56 HD3 ARG 56 6.504 -2.678 9.047 449 HE ARG 56 HE ARG 56 5.171 -0.401 7.948 450 HH11 ARG 56 HH11 ARG 56 7.742 -1.211 10.289 451 HH12 ARG 56 HH12 ARG 56 7.686 0.321 11.075 452 HH21 ARG 56 HH21 ARG 56 4.990 1.474 8.997 453 HH22 ARG 56 HH22 ARG 56 5.970 1.904 10.388 454 H VAL 57 HN VAL 57 9.879 -5.210 8.355 455 HA VAL 57 HA VAL 57 9.876 -7.207 6.363 456 HB VAL 57 HB VAL 57 12.052 -7.541 8.473 457 HG11 VAL 57 HG11 VAL 57 10.788 -9.641 8.146 458 HG12 VAL 57 HG12 VAL 57 10.953 -9.459 6.387 459 HG13 VAL 57 HG13 VAL 57 12.376 -9.774 7.384 460 HG21 VAL 57 HG21 VAL 57 13.545 -7.950 6.513 461 HG22 VAL 57 HG22 VAL 57 12.213 -7.528 5.409 462 HG23 VAL 57 HG23 VAL 57 12.911 -6.313 6.514 463 H ILE 58 HN ILE 58 8.027 -8.101 6.800 464 HA ILE 58 HA ILE 58 6.996 -8.361 9.587 465 HB ILE 58 HB ILE 58 5.661 -7.641 6.937 466 HG12 ILE 58 HG12 ILE 58 5.483 -6.204 9.605 467 HG13 ILE 58 HG13 ILE 58 6.818 -5.872 8.512 468 HG21 ILE 58 HG21 ILE 58 3.992 -8.979 7.687 469 HG22 ILE 58 HG22 ILE 58 4.385 -8.749 9.410 470 HG23 ILE 58 HG23 ILE 58 3.519 -7.514 8.520 471 HD11 ILE 58 HD11 ILE 58 3.931 -5.635 7.631 472 HD12 ILE 58 HD12 ILE 58 4.905 -4.313 8.287 473 HD13 ILE 58 HD13 ILE 58 5.395 -5.120 6.767 474 H GLU 59 HN GLU 59 6.548 -10.419 10.050 475 HA GLU 59 HA GLU 59 6.543 -12.709 9.902 476 HB2 GLU 59 HB2 GLU 59 5.288 -12.419 7.161 477 HB3 GLU 59 HB3 GLU 59 5.119 -13.731 8.334 478 HG2 GLU 59 HG2 GLU 59 4.051 -12.035 9.914 479 HG3 GLU 59 HG3 GLU 59 4.036 -10.905 8.570 480 H GLY 60 HN GLY 60 8.937 -11.260 8.776 481 HA2 GLY 60 HA2 GLY 60 11.006 -12.035 7.960 482 HA3 GLY 60 HA1 GLY 60 10.246 -13.541 7.449 483 H VAL 61 HN VAL 61 8.241 -11.161 6.224 484 HA VAL 61 HA VAL 61 9.419 -11.319 3.527 485 HB VAL 61 HB VAL 61 6.663 -10.316 4.398 486 HG11 VAL 61 HG11 VAL 61 7.373 -9.752 2.092 487 HG12 VAL 61 HG12 VAL 61 7.614 -11.485 1.754 488 HG13 VAL 61 HG13 VAL 61 5.996 -10.856 2.134 489 HG21 VAL 61 HG21 VAL 61 6.892 -12.596 5.272 490 HG22 VAL 61 HG22 VAL 61 5.754 -12.534 3.962 491 HG23 VAL 61 HG23 VAL 61 7.404 -13.170 3.669 492 H ARG 62 HN ARG 62 10.271 -9.499 2.663 493 HA ARG 62 HA ARG 62 10.782 -7.067 3.855 494 HB2 ARG 62 HB2 ARG 62 10.738 -6.116 1.453 495 HB3 ARG 62 HB3 ARG 62 11.982 -7.177 1.994 496 HG2 ARG 62 HG2 ARG 62 9.799 -8.600 0.704 497 HG3 ARG 62 HG3 ARG 62 10.678 -7.444 -0.301 498 HD2 ARG 62 HD2 ARG 62 12.770 -8.612 0.139 499 HD3 ARG 62 HD3 ARG 62 11.918 -9.739 1.218 500 HE ARG 62 HE ARG 62 11.072 -9.433 -1.603 501 HH11 ARG 62 HH11 ARG 62 12.832 -11.500 0.710 502 HH12 ARG 62 HH12 ARG 62 12.433 -12.983 -0.064 503 HH21 ARG 62 HH21 ARG 62 10.618 -11.529 -2.762 504 HH22 ARG 62 HH22 ARG 62 11.414 -12.928 -2.185 505 H CYS 63 HN CYS 63 8.007 -7.462 1.699 506 HA CYS 63 HA CYS 63 6.066 -6.337 1.435 507 HB2 CYS 63 HB2 CYS 63 6.328 -5.252 4.261 508 HB3 CYS 63 HB3 CYS 63 4.871 -5.348 3.257 509 HG CYS 63 HG CYS 63 4.795 -7.112 5.232 510 H LEU 64 HN LEU 64 5.230 -3.786 1.770 511 HA LEU 64 HA LEU 64 7.449 -1.888 1.799 512 HB2 LEU 64 HB2 LEU 64 6.511 -2.810 -0.675 513 HB3 LEU 64 HB3 LEU 64 5.550 -1.356 -0.430 514 HG LEU 64 HG LEU 64 8.536 -1.712 -0.563 515 HD11 LEU 64 HD11 LEU 64 7.312 -1.604 -2.698 516 HD12 LEU 64 HD12 LEU 64 8.378 -0.214 -2.486 517 HD13 LEU 64 HD13 LEU 64 6.629 -0.030 -2.218 518 HD21 LEU 64 HD21 LEU 64 8.808 0.759 -0.461 519 HD22 LEU 64 HD22 LEU 64 8.324 0.042 1.079 520 HD23 LEU 64 HD23 LEU 64 7.112 0.894 0.092 521 H ALA 65 HN ALA 65 6.705 -0.208 3.106 522 HA ALA 65 HA ALA 65 3.838 -0.044 3.775 523 HB1 ALA 65 HB1 ALA 65 5.489 0.304 5.564 524 HB2 ALA 65 HB2 ALA 65 6.264 1.611 4.624 525 HB3 ALA 65 HB3 ALA 65 4.613 1.813 5.231 526 H VAL 66 HN VAL 66 2.539 1.729 3.208 527 HA VAL 66 HA VAL 66 3.588 3.767 1.287 528 HB VAL 66 HB VAL 66 0.900 2.510 0.943 529 HG11 VAL 66 HG11 VAL 66 0.985 3.657 -1.181 530 HG12 VAL 66 HG12 VAL 66 1.292 4.829 0.109 531 HG13 VAL 66 HG13 VAL 66 2.646 4.223 -0.862 532 HG21 VAL 66 HG21 VAL 66 1.829 1.286 -0.902 533 HG22 VAL 66 HG22 VAL 66 3.483 1.878 -0.505 534 HG23 VAL 66 HG23 VAL 66 2.604 0.760 0.570 535 H ASP 67 HN ASP 67 3.521 5.323 2.915 536 HA ASP 67 HA ASP 67 1.626 5.661 5.094 537 HB2 ASP 67 HB2 ASP 67 3.873 6.665 5.023 538 HB3 ASP 67 HB3 ASP 67 3.376 7.692 3.675 539 H LEU 68 HN LEU 68 -0.319 6.657 5.214 540 HA LEU 68 HA LEU 68 -1.746 7.006 2.716 541 HB2 LEU 68 HB2 LEU 68 -2.449 6.784 5.556 542 HB3 LEU 68 HB3 LEU 68 -3.479 7.853 4.649 543 HG LEU 68 HG LEU 68 -2.806 5.065 3.629 544 HD11 LEU 68 HD11 LEU 68 -3.824 4.780 5.824 545 HD12 LEU 68 HD12 LEU 68 -4.976 4.309 4.568 546 HD13 LEU 68 HD13 LEU 68 -5.154 5.871 5.395 547 HD21 LEU 68 HD21 LEU 68 -4.909 5.333 2.343 548 HD22 LEU 68 HD22 LEU 68 -3.775 6.631 1.949 549 HD23 LEU 68 HD23 LEU 68 -5.139 6.949 3.037 550 H LYS 69 HN LYS 69 0.100 9.175 4.710 551 HA LYS 69 HA LYS 69 -1.286 11.597 4.072 552 HB2 LYS 69 HB2 LYS 69 0.616 11.103 5.759 553 HB3 LYS 69 HB3 LYS 69 1.720 11.278 4.408 554 HG2 LYS 69 HG2 LYS 69 -0.254 13.392 5.398 555 HG3 LYS 69 HG3 LYS 69 1.411 13.274 5.945 556 HD2 LYS 69 HD2 LYS 69 1.994 14.705 4.312 557 HD3 LYS 69 HD3 LYS 69 1.697 13.404 3.182 558 HE2 LYS 69 HE2 LYS 69 0.256 14.839 2.227 559 HE3 LYS 69 HE3 LYS 69 -0.842 14.238 3.467 560 HZ1 LYS 69 HZ1 LYS 69 -0.927 16.585 3.345 561 HZ2 LYS 69 HZ2 LYS 69 0.691 16.755 3.504 562 HZ3 LYS 69 HZ3 LYS 69 -0.189 16.226 4.797 563 H LEU 70 HN LEU 70 0.852 9.538 2.146 564 HA LEU 70 HA LEU 70 1.577 11.343 0.095 565 HB2 LEU 70 HB2 LEU 70 2.633 9.287 0.153 566 HB3 LEU 70 HB3 LEU 70 1.156 8.387 0.062 567 HG LEU 70 HG LEU 70 0.838 9.314 -2.317 568 HD11 LEU 70 HD11 LEU 70 2.837 10.167 -3.449 569 HD12 LEU 70 HD12 LEU 70 3.771 10.073 -1.951 570 HD13 LEU 70 HD13 LEU 70 2.438 11.237 -2.090 571 HD21 LEU 70 HD21 LEU 70 3.291 7.610 -1.742 572 HD22 LEU 70 HD22 LEU 70 2.437 7.726 -3.298 573 HD23 LEU 70 HD23 LEU 70 1.617 7.033 -1.888 574 H LYS 71 HN LYS 71 -1.573 9.745 0.732 575 HA LYS 71 HA LYS 71 -2.803 10.124 -1.810 576 HB2 LYS 71 HB2 LYS 71 -3.496 8.543 0.024 577 HB3 LYS 71 HB3 LYS 71 -3.921 9.937 1.024 578 HG2 LYS 71 HG2 LYS 71 -5.926 9.112 0.363 579 HG3 LYS 71 HG3 LYS 71 -5.722 10.537 -0.650 580 HD2 LYS 71 HD2 LYS 71 -5.505 9.278 -2.596 581 HD3 LYS 71 HD3 LYS 71 -4.740 7.928 -1.763 582 HE2 LYS 71 HE2 LYS 71 -6.696 6.859 -1.987 583 HE3 LYS 71 HE3 LYS 71 -7.201 7.815 -0.585 584 HZ1 LYS 71 HZ1 LYS 71 -8.011 9.463 -2.320 585 HZ2 LYS 71 HZ2 LYS 71 -8.871 8.100 -2.133 586 HZ3 LYS 71 HZ3 LYS 71 -7.863 8.233 -3.421 587 H ASP 72 HN ASP 72 -2.512 12.250 1.034 588 HA ASP 72 HA ASP 72 -4.463 14.190 0.124 589 HB2 ASP 72 HB2 ASP 72 -3.751 14.086 2.437 590 HB3 ASP 72 HB3 ASP 72 -2.080 14.345 1.971 591 H THR 73 HN THR 73 -0.892 13.966 -0.084 592 HA THR 73 HA THR 73 -0.798 16.478 -1.546 593 HB THR 73 HB THR 73 0.706 15.761 0.326 594 HG1 THR 73 HG1 THR 73 1.843 16.646 -2.088 595 HG21 THR 73 HG21 THR 73 1.261 13.477 -0.336 596 HG22 THR 73 HG22 THR 73 2.716 14.466 -0.170 597 HG23 THR 73 HG23 THR 73 2.109 14.070 -1.781 598 H ASN 74 HN ASN 74 -0.861 13.098 -2.516 599 HA ASN 74 HA ASN 74 -0.620 13.791 -5.337 600 HB2 ASN 74 HB2 ASN 74 1.768 13.644 -4.276 601 HB3 ASN 74 HB3 ASN 74 1.449 11.938 -4.083 602 HD21 ASN 74 HD21 ASN 74 0.737 10.856 -6.186 603 HD22 ASN 74 HD22 ASN 74 1.723 11.229 -7.618 604 HA PRO 75 HA PRO 75 -3.380 10.298 -3.886 605 HB2 PRO 75 HB2 PRO 75 -5.611 11.041 -5.366 606 HB3 PRO 75 HB3 PRO 75 -5.193 11.636 -3.733 607 HG2 PRO 75 HG2 PRO 75 -4.598 12.993 -6.354 608 HG3 PRO 75 HG3 PRO 75 -5.345 13.698 -4.887 609 HD2 PRO 75 HD2 PRO 75 -2.732 14.022 -5.275 610 HD3 PRO 75 HD3 PRO 75 -3.316 13.598 -3.667 611 H GLU 76 HN GLU 76 -2.758 11.458 -7.227 612 HA GLU 76 HA GLU 76 -3.583 9.074 -8.587 613 HB2 GLU 76 HB2 GLU 76 -2.928 11.422 -9.512 614 HB3 GLU 76 HB3 GLU 76 -1.254 10.884 -9.375 615 HG2 GLU 76 HG2 GLU 76 -1.971 8.865 -10.817 616 HG3 GLU 76 HG3 GLU 76 -3.484 9.731 -11.100 617 H GLY 77 HN GLY 77 -0.605 10.030 -7.026 618 HA2 GLY 77 HA2 GLY 77 1.043 7.813 -7.764 619 HA3 GLY 77 HA1 GLY 77 1.271 8.822 -6.321 620 H PHE 78 HN PHE 78 -1.175 8.304 -4.954 621 HA PHE 78 HA PHE 78 -0.644 5.732 -3.755 622 HB2 PHE 78 HB2 PHE 78 -1.607 7.681 -2.572 623 HB3 PHE 78 HB3 PHE 78 -3.114 7.409 -3.428 624 HD1 PHE 78 HD1 PHE 78 -0.559 5.759 -1.269 625 HD2 PHE 78 HD2 PHE 78 -4.644 5.658 -2.625 626 HE1 PHE 78 HE1 PHE 78 -1.090 4.047 0.461 627 HE2 PHE 78 HE2 PHE 78 -5.158 3.919 -0.945 628 HZ PHE 78 HZ PHE 78 -3.381 3.139 0.632 629 H ASN 79 HN ASN 79 -3.055 6.906 -6.115 630 HA ASN 79 HA ASN 79 -4.577 4.487 -6.309 631 HB2 ASN 79 HB2 ASN 79 -4.140 6.823 -8.200 632 HB3 ASN 79 HB3 ASN 79 -5.074 5.426 -8.687 633 HD21 ASN 79 HD21 ASN 79 -5.969 8.368 -8.108 634 HD22 ASN 79 HD22 ASN 79 -7.291 8.051 -7.021 635 H GLN 80 HN GLN 80 -1.742 5.613 -8.279 636 HA GLN 80 HA GLN 80 -1.470 3.212 -9.748 637 HB2 GLN 80 HB2 GLN 80 0.540 5.330 -8.885 638 HB3 GLN 80 HB3 GLN 80 0.966 3.920 -9.847 639 HG2 GLN 80 HG2 GLN 80 -1.163 4.805 -11.305 640 HG3 GLN 80 HG3 GLN 80 -0.616 6.338 -10.631 641 HE21 GLN 80 HE21 GLN 80 1.107 7.366 -11.845 642 HE22 GLN 80 HE22 GLN 80 2.062 6.449 -13.002 643 H LEU 81 HN LEU 81 -0.224 4.074 -6.440 644 HA LEU 81 HA LEU 81 1.304 1.752 -6.102 645 HB2 LEU 81 HB2 LEU 81 0.617 3.945 -4.445 646 HB3 LEU 81 HB3 LEU 81 -0.113 2.560 -3.618 647 HG LEU 81 HG LEU 81 2.313 2.866 -2.885 648 HD11 LEU 81 HD11 LEU 81 1.973 0.338 -4.372 649 HD12 LEU 81 HD12 LEU 81 1.075 0.740 -2.915 650 HD13 LEU 81 HD13 LEU 81 2.819 0.690 -2.822 651 HD21 LEU 81 HD21 LEU 81 4.030 3.159 -4.082 652 HD22 LEU 81 HD22 LEU 81 2.821 4.093 -4.897 653 HD23 LEU 81 HD23 LEU 81 3.274 2.520 -5.595 654 H MET 82 HN MET 82 -2.142 2.310 -5.352 655 HA MET 82 HA MET 82 -2.668 -0.171 -4.281 656 HB2 MET 82 HB2 MET 82 -4.512 1.563 -5.979 657 HB3 MET 82 HB3 MET 82 -5.037 0.124 -5.120 658 HG2 MET 82 HG2 MET 82 -3.609 1.824 -3.253 659 HG3 MET 82 HG3 MET 82 -4.791 2.787 -4.134 660 HE1 MET 82 HE1 MET 82 -5.585 -0.194 -0.806 661 HE2 MET 82 HE2 MET 82 -4.151 -0.284 -1.851 662 HE3 MET 82 HE3 MET 82 -4.458 1.173 -0.874 663 H HIS 83 HN HIS 83 -2.791 0.754 -7.739 664 HA HIS 83 HA HIS 83 -3.690 -1.758 -8.590 665 HB2 HIS 83 HB2 HIS 83 -3.527 0.505 -9.890 666 HB3 HIS 83 HB3 HIS 83 -1.921 -0.029 -10.351 667 HD1 HIS 83 HD1 HIS 83 -2.785 -0.254 -12.973 668 HD2 HIS 83 HD2 HIS 83 -4.546 -2.828 -10.141 669 HE1 HIS 83 HE1 HIS 83 -4.163 -1.920 -14.277 670 H PHE 84 HN PHE 84 -0.378 -0.605 -8.075 671 HA PHE 84 HA PHE 84 1.122 -2.560 -9.383 672 HB2 PHE 84 HB2 PHE 84 2.085 -0.635 -8.091 673 HB3 PHE 84 HB3 PHE 84 1.677 -1.443 -6.598 674 HD1 PHE 84 HD1 PHE 84 2.732 -3.865 -6.190 675 HD2 PHE 84 HD2 PHE 84 4.239 -0.965 -9.027 676 HE1 PHE 84 HE1 PHE 84 4.947 -4.917 -6.093 677 HE2 PHE 84 HE2 PHE 84 6.454 -2.060 -8.909 678 HZ PHE 84 HZ PHE 84 6.820 -3.998 -7.437 679 H ALA 85 HN ALA 85 -0.524 -2.783 -6.194 680 HA ALA 85 HA ALA 85 0.601 -5.322 -5.501 681 HB1 ALA 85 HB1 ALA 85 -2.100 -4.203 -4.689 682 HB2 ALA 85 HB2 ALA 85 -1.152 -5.454 -3.853 683 HB3 ALA 85 HB3 ALA 85 -0.552 -3.779 -3.929 684 H THR 86 HN THR 86 -2.627 -4.519 -6.976 685 HA THR 86 HA THR 86 -3.458 -7.172 -7.254 686 HB THR 86 HB THR 86 -4.312 -4.955 -9.126 687 HG1 THR 86 HG1 THR 86 -5.354 -5.058 -6.522 688 HG21 THR 86 HG21 THR 86 -5.830 -7.064 -7.510 689 HG22 THR 86 HG22 THR 86 -5.457 -7.143 -9.246 690 HG23 THR 86 HG23 THR 86 -6.551 -5.894 -8.635 691 H GLU 87 HN GLU 87 -1.705 -5.031 -9.545 692 HA GLU 87 HA GLU 87 -1.653 -6.632 -11.834 693 HB2 GLU 87 HB2 GLU 87 0.194 -4.601 -10.545 694 HB3 GLU 87 HB3 GLU 87 0.638 -5.358 -12.073 695 HG2 GLU 87 HG2 GLU 87 -2.117 -4.294 -12.112 696 HG3 GLU 87 HG3 GLU 87 -0.951 -3.069 -11.647 697 H ASN 88 HN ASN 88 0.367 -6.764 -8.923 698 HA ASN 88 HA ASN 88 1.901 -9.080 -10.016 699 HB2 ASN 88 HB2 ASN 88 2.415 -7.245 -7.659 700 HB3 ASN 88 HB3 ASN 88 3.423 -8.628 -8.109 701 HD21 ASN 88 HD21 ASN 88 2.853 -5.276 -8.698 702 HD22 ASN 88 HD22 ASN 88 4.000 -5.118 -10.011 703 H GLN 89 HN GLN 89 -0.940 -8.777 -8.620 704 HA GLN 89 HA GLN 89 -2.312 -9.864 -7.250 705 HB2 GLN 89 HB2 GLN 89 -0.521 -12.222 -7.928 706 HB3 GLN 89 HB3 GLN 89 -2.134 -12.319 -7.228 707 HG2 GLN 89 HG2 GLN 89 -1.641 -10.979 -9.925 708 HG3 GLN 89 HG3 GLN 89 -1.947 -12.697 -9.746 709 HE21 GLN 89 HE21 GLN 89 -3.515 -9.588 -9.931 710 HE22 GLN 89 HE22 GLN 89 -5.127 -10.199 -9.626 711 H LEU 90 HN LEU 90 -0.046 -8.557 -5.958 712 HA LEU 90 HA LEU 90 0.922 -10.160 -3.745 713 HB2 LEU 90 HB2 LEU 90 0.940 -7.173 -4.250 714 HB3 LEU 90 HB3 LEU 90 1.724 -7.944 -2.881 715 HG LEU 90 HG LEU 90 2.396 -8.542 -5.788 716 HD11 LEU 90 HD11 LEU 90 4.429 -7.227 -5.454 717 HD12 LEU 90 HD12 LEU 90 3.917 -6.824 -3.795 718 HD13 LEU 90 HD13 LEU 90 2.989 -6.227 -5.188 719 HD21 LEU 90 HD21 LEU 90 3.001 -10.432 -4.412 720 HD22 LEU 90 HD22 LEU 90 3.765 -9.371 -3.207 721 HD23 LEU 90 HD23 LEU 90 4.464 -9.538 -4.834 722 H ASN 91 HN ASN 91 0.313 -10.079 -1.594 723 HA ASN 91 HA ASN 91 -2.494 -9.612 -1.064 724 HB2 ASN 91 HB2 ASN 91 -0.850 -11.272 0.107 725 HB3 ASN 91 HB3 ASN 91 -0.375 -9.903 1.083 726 HD21 ASN 91 HD21 ASN 91 -1.655 -12.256 2.029 727 HD22 ASN 91 HD22 ASN 91 -3.259 -11.868 2.623 728 H ILE 92 HN ILE 92 -3.446 -7.755 -0.305 729 HA ILE 92 HA ILE 92 -1.725 -5.388 0.204 730 HB ILE 92 HB ILE 92 -4.727 -5.545 -0.277 731 HG12 ILE 92 HG12 ILE 92 -2.554 -4.569 -2.170 732 HG13 ILE 92 HG13 ILE 92 -3.249 -6.182 -2.291 733 HG21 ILE 92 HG21 ILE 92 -2.824 -3.139 -0.179 734 HG22 ILE 92 HG22 ILE 92 -4.586 -3.078 -0.434 735 HG23 ILE 92 HG23 ILE 92 -3.931 -3.595 1.116 736 HD11 ILE 92 HD11 ILE 92 -4.303 -4.683 -3.889 737 HD12 ILE 92 HD12 ILE 92 -5.457 -5.327 -2.717 738 HD13 ILE 92 HD13 ILE 92 -4.886 -3.664 -2.560 739 H LEU 93 HN LEU 93 -1.251 -5.175 2.402 740 HA LEU 93 HA LEU 93 -3.282 -5.964 4.331 741 HB2 LEU 93 HB2 LEU 93 -0.422 -5.191 4.906 742 HB3 LEU 93 HB3 LEU 93 -1.550 -6.087 5.906 743 HG LEU 93 HG LEU 93 -0.212 -7.073 3.438 744 HD11 LEU 93 HD11 LEU 93 1.404 -6.633 5.216 745 HD12 LEU 93 HD12 LEU 93 1.256 -8.369 4.909 746 HD13 LEU 93 HD13 LEU 93 0.478 -7.669 6.325 747 HD21 LEU 93 HD21 LEU 93 -1.833 -8.639 5.466 748 HD22 LEU 93 HD22 LEU 93 -0.896 -9.341 4.120 749 HD23 LEU 93 HD23 LEU 93 -2.274 -8.298 3.766 750 H ASP 94 HN ASP 94 -2.933 -4.609 6.247 751 HA ASP 94 HA ASP 94 -3.058 -1.680 5.612 752 HB2 ASP 94 HB2 ASP 94 -4.464 -1.300 7.354 753 HB3 ASP 94 HB3 ASP 94 -5.038 -2.852 6.800 754 H ALA 95 HN ALA 95 -2.620 -0.558 7.976 755 HA ALA 95 HA ALA 95 0.271 -0.529 8.177 756 HB1 ALA 95 HB1 ALA 95 -0.082 1.086 10.051 757 HB2 ALA 95 HB2 ALA 95 -0.950 1.547 8.599 758 HB3 ALA 95 HB3 ALA 95 -1.837 0.797 9.947 759 H GLU 96 HN GLU 96 -2.224 -2.313 9.986 760 HA GLU 96 HA GLU 96 -0.355 -3.180 12.090 761 HB2 GLU 96 HB2 GLU 96 -3.140 -3.992 11.263 762 HB3 GLU 96 HB3 GLU 96 -2.263 -4.730 12.612 763 HG2 GLU 96 HG2 GLU 96 -2.161 -2.517 13.704 764 HG3 GLU 96 HG3 GLU 96 -3.058 -1.801 12.377 765 H GLY 97 HN GLY 97 -1.636 -4.346 8.969 766 HA2 GLY 97 HA2 GLY 97 -0.235 -5.702 7.563 767 HA3 GLY 97 HA1 GLY 97 0.421 -6.537 8.947 768 H ASN 98 HN ASN 98 -3.000 -5.841 8.921 769 HA ASN 98 HA ASN 98 -3.780 -8.688 8.595 770 HB2 ASN 98 HB2 ASN 98 -5.576 -6.219 8.626 771 HB3 ASN 98 HB3 ASN 98 -6.037 -7.870 8.913 772 HD21 ASN 98 HD21 ASN 98 -4.667 -5.031 10.165 773 HD22 ASN 98 HD22 ASN 98 -4.805 -5.332 11.878 774 H SER 99 HN SER 99 -4.697 -9.406 6.554 775 HA SER 99 HA SER 99 -4.363 -7.876 4.178 776 HB2 SER 99 HB2 SER 99 -6.147 -9.628 3.380 777 HB3 SER 99 HB3 SER 99 -4.466 -10.043 3.703 778 HG SER 99 HG SER 99 -6.464 -10.326 5.707 779 H ILE 100 HN ILE 100 -5.781 -6.493 3.073 780 HA ILE 100 HA ILE 100 -8.576 -6.165 3.971 781 HB ILE 100 HB ILE 100 -8.225 -3.660 3.500 782 HG12 ILE 100 HG12 ILE 100 -5.355 -4.218 4.356 783 HG13 ILE 100 HG13 ILE 100 -5.823 -3.973 2.673 784 HG21 ILE 100 HG21 ILE 100 -7.071 -4.754 6.091 785 HG22 ILE 100 HG22 ILE 100 -7.831 -3.159 5.823 786 HG23 ILE 100 HG23 ILE 100 -8.804 -4.620 5.700 787 HD11 ILE 100 HD11 ILE 100 -4.994 -1.888 3.541 788 HD12 ILE 100 HD12 ILE 100 -6.742 -1.744 3.261 789 HD13 ILE 100 HD13 ILE 100 -6.118 -1.935 4.909 790 H ASP 101 HN ASP 101 -9.824 -5.044 2.270 791 HA ASP 101 HA ASP 101 -8.923 -5.677 -0.498 792 HB2 ASP 101 HB2 ASP 101 -11.496 -4.848 0.731 793 HB3 ASP 101 HB3 ASP 101 -11.178 -4.185 -0.838 794 H ALA 102 HN ALA 102 -8.948 -4.027 -1.983 795 HA ALA 102 HA ALA 102 -7.429 -1.619 -1.172 796 HB1 ALA 102 HB1 ALA 102 -7.303 -1.228 -3.632 797 HB2 ALA 102 HB2 ALA 102 -6.824 -2.875 -3.224 798 HB3 ALA 102 HB3 ALA 102 -8.427 -2.573 -3.905 799 H ALA 103 HN ALA 103 -10.724 -2.421 -2.146 800 HA ALA 103 HA ALA 103 -11.658 0.126 -2.898 801 HB1 ALA 103 HB1 ALA 103 -12.991 -1.935 -3.214 802 HB2 ALA 103 HB2 ALA 103 -13.110 -2.151 -1.448 803 HB3 ALA 103 HB3 ALA 103 -13.906 -0.775 -2.235 804 H GLN 104 HN GLN 104 -11.325 -1.369 0.280 805 HA GLN 104 HA GLN 104 -12.795 0.539 1.746 806 HB2 GLN 104 HB2 GLN 104 -10.592 -1.362 2.688 807 HB3 GLN 104 HB3 GLN 104 -11.807 -0.584 3.703 808 HG2 GLN 104 HG2 GLN 104 -13.287 -1.891 1.638 809 HG3 GLN 104 HG3 GLN 104 -12.010 -3.015 2.085 810 HE21 GLN 104 HE21 GLN 104 -12.112 -4.012 4.151 811 HE22 GLN 104 HE22 GLN 104 -13.475 -3.814 5.227 812 H VAL 105 HN VAL 105 -9.794 0.994 0.236 813 HA VAL 105 HA VAL 105 -8.692 2.721 2.397 814 HB VAL 105 HB VAL 105 -7.321 1.669 -0.093 815 HG11 VAL 105 HG11 VAL 105 -5.292 2.127 1.104 816 HG12 VAL 105 HG12 VAL 105 -6.260 3.606 1.092 817 HG13 VAL 105 HG13 VAL 105 -6.182 2.616 2.562 818 HG21 VAL 105 HG21 VAL 105 -7.478 0.397 2.663 819 HG22 VAL 105 HG22 VAL 105 -8.000 -0.318 1.121 820 HG23 VAL 105 HG23 VAL 105 -6.284 -0.054 1.427 821 H THR 106 HN THR 106 -9.414 2.726 -1.156 822 HA THR 106 HA THR 106 -8.320 5.352 -1.433 823 HB THR 106 HB THR 106 -9.587 4.987 -3.775 824 HG1 THR 106 HG1 THR 106 -9.445 2.557 -4.014 825 HG21 THR 106 HG21 THR 106 -7.176 5.091 -3.543 826 HG22 THR 106 HG22 THR 106 -7.566 3.647 -4.479 827 HG23 THR 106 HG23 THR 106 -7.132 3.510 -2.756 828 H GLU 107 HN GLU 107 -11.277 4.452 -0.167 829 HA GLU 107 HA GLU 107 -12.777 6.760 -1.197 830 HB2 GLU 107 HB2 GLU 107 -14.714 5.628 -0.191 831 HB3 GLU 107 HB3 GLU 107 -13.828 4.525 -1.238 832 HG2 GLU 107 HG2 GLU 107 -12.780 3.437 0.699 833 HG3 GLU 107 HG3 GLU 107 -13.446 4.638 1.782 834 H ILE 108 HN ILE 108 -10.677 6.436 1.195 835 HA ILE 108 HA ILE 108 -12.175 7.688 3.404 836 HB ILE 108 HB ILE 108 -9.192 7.156 3.242 837 HG12 ILE 108 HG12 ILE 108 -11.185 5.271 4.569 838 HG13 ILE 108 HG13 ILE 108 -10.544 4.994 2.954 839 HG21 ILE 108 HG21 ILE 108 -9.280 7.353 5.679 840 HG22 ILE 108 HG22 ILE 108 -10.108 8.750 5.000 841 HG23 ILE 108 HG23 ILE 108 -11.060 7.409 5.654 842 HD11 ILE 108 HD11 ILE 108 -8.215 5.047 3.849 843 HD12 ILE 108 HD12 ILE 108 -8.882 5.146 5.495 844 HD13 ILE 108 HD13 ILE 108 -9.213 3.735 4.481 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -12.832 -10.914 3.833 2 HA2 GLY 1 HA2 GLY 1 -12.219 -9.543 5.791 3 HA3 GLY 1 HA1 GLY 1 -13.965 -9.554 5.486 4 H MET 2 HN MET 2 -11.403 -11.247 7.401 5 HA MET 2 HA MET 2 -13.377 -12.318 9.267 6 HB2 MET 2 HB2 MET 2 -11.207 -13.445 8.670 7 HB3 MET 2 HB3 MET 2 -10.347 -12.156 9.510 8 HG2 MET 2 HG2 MET 2 -11.734 -12.756 11.574 9 HG3 MET 2 HG3 MET 2 -12.293 -14.168 10.677 10 HE1 MET 2 HE1 MET 2 -8.584 -15.877 10.155 11 HE2 MET 2 HE2 MET 2 -10.212 -15.788 9.438 12 HE3 MET 2 HE3 MET 2 -9.044 -14.462 9.195 13 H GLY 3 HN GLY 3 -14.505 -10.631 10.181 14 HA2 GLY 3 HA2 GLY 3 -14.782 -9.253 12.050 15 HA3 GLY 3 HA1 GLY 3 -13.049 -8.921 12.102 16 H THR 4 HN THR 4 -14.241 -6.745 12.524 17 HA THR 4 HA THR 4 -15.257 -5.431 10.087 18 HB THR 4 HB THR 4 -16.370 -3.949 11.799 19 HG1 THR 4 HG1 THR 4 -15.094 -4.556 13.599 20 HG21 THR 4 HG21 THR 4 -18.174 -5.503 12.213 21 HG22 THR 4 HG22 THR 4 -17.113 -6.906 11.984 22 HG23 THR 4 HG23 THR 4 -17.509 -5.859 10.609 23 H THR 5 HN THR 5 -13.362 -4.662 9.179 24 HA THR 5 HA THR 5 -12.194 -2.368 10.647 25 HB THR 5 HB THR 5 -10.787 -4.533 10.688 26 HG1 THR 5 HG1 THR 5 -9.875 -2.718 11.293 27 HG21 THR 5 HG21 THR 5 -10.089 -3.692 7.846 28 HG22 THR 5 HG22 THR 5 -11.036 -5.133 8.280 29 HG23 THR 5 HG23 THR 5 -9.346 -4.991 8.791 30 H GLU 6 HN GLU 6 -14.165 -3.116 8.303 31 HA GLU 6 HA GLU 6 -13.113 -1.752 5.993 32 HB2 GLU 6 HB2 GLU 6 -15.446 -1.728 5.214 33 HB3 GLU 6 HB3 GLU 6 -14.933 -3.319 5.763 34 HG2 GLU 6 HG2 GLU 6 -16.228 -2.982 7.865 35 HG3 GLU 6 HG3 GLU 6 -16.738 -1.398 7.272 36 H LYS 7 HN LYS 7 -13.282 0.363 5.362 37 HA LYS 7 HA LYS 7 -12.939 2.576 5.730 38 HB2 LYS 7 HB2 LYS 7 -15.794 2.157 6.614 39 HB3 LYS 7 HB3 LYS 7 -15.007 3.744 6.638 40 HG2 LYS 7 HG2 LYS 7 -14.553 3.710 4.309 41 HG3 LYS 7 HG3 LYS 7 -15.185 2.064 4.111 42 HD2 LYS 7 HD2 LYS 7 -17.392 2.784 4.161 43 HD3 LYS 7 HD3 LYS 7 -17.050 3.981 5.402 44 HE2 LYS 7 HE2 LYS 7 -17.702 5.213 3.482 45 HE3 LYS 7 HE3 LYS 7 -15.959 5.445 3.690 46 HZ1 LYS 7 HZ1 LYS 7 -17.293 3.718 1.693 47 HZ2 LYS 7 HZ2 LYS 7 -15.655 3.692 1.983 48 HZ3 LYS 7 HZ3 LYS 7 -16.334 5.046 1.433 49 H SER 8 HN SER 8 -11.257 2.612 7.182 50 HA SER 8 HA SER 8 -11.998 3.368 9.989 51 HB2 SER 8 HB2 SER 8 -10.938 1.006 9.513 52 HB3 SER 8 HB3 SER 8 -9.435 1.934 9.397 53 HG SER 8 HG SER 8 -9.874 1.092 11.427 54 H GLY 9 HN GLY 9 -10.431 4.760 11.062 55 HA2 GLY 9 HA2 GLY 9 -9.694 6.985 9.368 56 HA3 GLY 9 HA1 GLY 9 -9.585 6.873 11.124 57 H ILE 10 HN ILE 10 -8.034 4.657 8.789 58 HA ILE 10 HA ILE 10 -5.403 5.116 9.985 59 HB ILE 10 HB ILE 10 -6.518 3.198 7.888 60 HG12 ILE 10 HG12 ILE 10 -5.601 2.907 10.781 61 HG13 ILE 10 HG13 ILE 10 -7.259 2.825 10.207 62 HG21 ILE 10 HG21 ILE 10 -3.680 3.467 8.981 63 HG22 ILE 10 HG22 ILE 10 -4.282 2.057 8.088 64 HG23 ILE 10 HG23 ILE 10 -4.224 3.582 7.276 65 HD11 ILE 10 HD11 ILE 10 -6.801 0.756 8.999 66 HD12 ILE 10 HD12 ILE 10 -5.130 0.746 9.600 67 HD13 ILE 10 HD13 ILE 10 -6.482 0.622 10.727 68 H LYS 11 HN LYS 11 -3.703 6.143 9.008 69 HA LYS 11 HA LYS 11 -4.094 7.519 6.454 70 HB2 LYS 11 HB2 LYS 11 -2.860 8.196 9.127 71 HB3 LYS 11 HB3 LYS 11 -2.268 8.978 7.666 72 HG2 LYS 11 HG2 LYS 11 -3.828 10.411 8.337 73 HG3 LYS 11 HG3 LYS 11 -4.674 9.498 7.091 74 HD2 LYS 11 HD2 LYS 11 -6.305 9.841 8.722 75 HD3 LYS 11 HD3 LYS 11 -5.736 8.208 9.078 76 HE2 LYS 11 HE2 LYS 11 -4.056 9.317 10.659 77 HE3 LYS 11 HE3 LYS 11 -4.965 10.816 10.403 78 HZ1 LYS 11 HZ1 LYS 11 -6.131 8.316 11.481 79 HZ2 LYS 11 HZ2 LYS 11 -6.900 9.741 11.333 80 HZ3 LYS 11 HZ3 LYS 11 -5.661 9.609 12.410 81 H GLU 12 HN GLU 12 -2.901 4.772 6.874 82 HA GLU 12 HA GLU 12 -0.851 5.123 4.887 83 HB2 GLU 12 HB2 GLU 12 0.494 5.669 6.893 84 HB3 GLU 12 HB3 GLU 12 0.077 4.128 7.637 85 HG2 GLU 12 HG2 GLU 12 1.361 2.899 5.993 86 HG3 GLU 12 HG3 GLU 12 1.558 4.336 4.987 87 H ILE 13 HN ILE 13 -0.811 3.240 3.591 88 HA ILE 13 HA ILE 13 -2.145 0.773 4.648 89 HB ILE 13 HB ILE 13 -2.396 0.125 2.213 90 HG12 ILE 13 HG12 ILE 13 -1.624 2.955 1.490 91 HG13 ILE 13 HG13 ILE 13 -0.444 1.670 1.517 92 HG21 ILE 13 HG21 ILE 13 -4.280 1.682 1.808 93 HG22 ILE 13 HG22 ILE 13 -4.268 0.862 3.355 94 HG23 ILE 13 HG23 ILE 13 -3.813 2.549 3.309 95 HD11 ILE 13 HD11 ILE 13 -1.408 2.018 -0.728 96 HD12 ILE 13 HD12 ILE 13 -1.591 0.373 -0.105 97 HD13 ILE 13 HD13 ILE 13 -2.976 1.483 -0.074 98 H ILE 14 HN ILE 14 -1.196 -1.294 3.359 99 HA ILE 14 HA ILE 14 1.701 -1.027 2.990 100 HB ILE 14 HB ILE 14 0.535 -2.935 5.071 101 HG12 ILE 14 HG12 ILE 14 2.321 -0.475 5.389 102 HG13 ILE 14 HG13 ILE 14 0.643 -0.622 5.933 103 HG21 ILE 14 HG21 ILE 14 3.428 -2.478 4.172 104 HG22 ILE 14 HG22 ILE 14 2.877 -3.641 5.405 105 HG23 ILE 14 HG23 ILE 14 2.429 -3.880 3.730 106 HD11 ILE 14 HD11 ILE 14 2.108 -0.799 7.787 107 HD12 ILE 14 HD12 ILE 14 1.251 -2.343 7.534 108 HD13 ILE 14 HD13 ILE 14 2.956 -2.162 7.049 109 H ILE 15 HN ILE 15 1.996 -1.909 1.044 110 HA ILE 15 HA ILE 15 0.117 -3.922 -0.001 111 HB ILE 15 HB ILE 15 2.745 -2.951 -1.196 112 HG12 ILE 15 HG12 ILE 15 -0.046 -1.746 -1.403 113 HG13 ILE 15 HG13 ILE 15 1.382 -0.962 -0.738 114 HG21 ILE 15 HG21 ILE 15 1.709 -5.011 -2.173 115 HG22 ILE 15 HG22 ILE 15 0.203 -4.136 -2.408 116 HG23 ILE 15 HG23 ILE 15 1.674 -3.690 -3.322 117 HD11 ILE 15 HD11 ILE 15 0.877 -1.579 -3.652 118 HD12 ILE 15 HD12 ILE 15 1.075 -0.010 -2.860 119 HD13 ILE 15 HD13 ILE 15 2.465 -1.121 -2.980 120 H GLN 16 HN GLN 16 0.489 -6.194 0.188 121 HA GLN 16 HA GLN 16 2.887 -6.979 1.648 122 HB2 GLN 16 HB2 GLN 16 0.344 -7.947 1.810 123 HB3 GLN 16 HB3 GLN 16 0.931 -8.973 0.542 124 HG2 GLN 16 HG2 GLN 16 2.837 -9.648 1.969 125 HG3 GLN 16 HG3 GLN 16 2.214 -8.574 3.233 126 HE21 GLN 16 HE21 GLN 16 1.702 -10.037 4.881 127 HE22 GLN 16 HE22 GLN 16 0.655 -11.403 4.652 128 H GLY 17 HN GLY 17 4.255 -8.743 0.682 129 HA2 GLY 17 HA2 GLY 17 4.334 -8.536 -2.335 130 HA3 GLY 17 HA1 GLY 17 5.730 -8.956 -1.400 131 H LEU 18 HN LEU 18 2.405 -10.317 -0.793 132 HA LEU 18 HA LEU 18 3.331 -12.953 -1.728 133 HB2 LEU 18 HB2 LEU 18 2.756 -12.036 0.859 134 HB3 LEU 18 HB3 LEU 18 1.199 -12.606 0.297 135 HG LEU 18 HG LEU 18 2.466 -14.800 -0.386 136 HD11 LEU 18 HD11 LEU 18 4.378 -13.637 1.702 137 HD12 LEU 18 HD12 LEU 18 4.761 -13.696 -0.028 138 HD13 LEU 18 HD13 LEU 18 4.522 -15.204 0.887 139 HD21 LEU 18 HD21 LEU 18 0.809 -14.527 1.385 140 HD22 LEU 18 HD22 LEU 18 2.004 -13.779 2.433 141 HD23 LEU 18 HD23 LEU 18 2.149 -15.519 2.015 142 H THR 19 HN THR 19 1.977 -13.788 -3.282 143 HA THR 19 HA THR 19 -0.339 -12.417 -4.275 144 HB THR 19 HB THR 19 -0.791 -14.563 -5.430 145 HG1 THR 19 HG1 THR 19 1.567 -15.495 -4.130 146 HG21 THR 19 HG21 THR 19 2.179 -13.837 -5.594 147 HG22 THR 19 HG22 THR 19 0.861 -12.945 -6.397 148 HG23 THR 19 HG23 THR 19 1.184 -14.631 -6.829 149 H ARG 20 HN ARG 20 -2.575 -12.952 -3.899 150 HA ARG 20 HA ARG 20 -3.455 -13.704 -1.403 151 HB2 ARG 20 HB2 ARG 20 -5.622 -14.060 -2.360 152 HB3 ARG 20 HB3 ARG 20 -4.836 -12.631 -3.041 153 HG2 ARG 20 HG2 ARG 20 -4.318 -14.029 -5.095 154 HG3 ARG 20 HG3 ARG 20 -5.339 -15.310 -4.412 155 HD2 ARG 20 HD2 ARG 20 -6.671 -12.671 -4.353 156 HD3 ARG 20 HD3 ARG 20 -6.128 -13.088 -5.978 157 HE ARG 20 HE ARG 20 -7.628 -15.232 -4.647 158 HH11 ARG 20 HH11 ARG 20 -8.136 -12.134 -6.226 159 HH12 ARG 20 HH12 ARG 20 -9.584 -12.589 -7.029 160 HH21 ARG 20 HH21 ARG 20 -9.558 -15.852 -5.617 161 HH22 ARG 20 HH22 ARG 20 -10.514 -14.701 -6.526 162 H ALA 21 HN ALA 21 -2.313 -15.880 -3.798 163 HA ALA 21 HA ALA 21 -3.496 -18.342 -2.749 164 HB1 ALA 21 HB1 ALA 21 -1.133 -17.917 -4.644 165 HB2 ALA 21 HB2 ALA 21 -1.968 -19.451 -4.326 166 HB3 ALA 21 HB3 ALA 21 -2.837 -18.136 -5.130 167 H GLY 22 HN GLY 22 -1.150 -16.281 -1.461 168 HA2 GLY 22 HA2 GLY 22 0.103 -16.512 0.375 169 HA3 GLY 22 HA1 GLY 22 -0.328 -18.224 0.508 170 H LYS 23 HN LYS 23 1.127 -16.896 -2.464 171 HA LYS 23 HA LYS 23 3.725 -18.141 -1.756 172 HB2 LYS 23 HB2 LYS 23 2.193 -18.020 -4.378 173 HB3 LYS 23 HB3 LYS 23 3.950 -18.072 -4.377 174 HG2 LYS 23 HG2 LYS 23 3.443 -20.318 -4.523 175 HG3 LYS 23 HG3 LYS 23 3.764 -20.071 -2.800 176 HD2 LYS 23 HD2 LYS 23 1.278 -19.980 -2.407 177 HD3 LYS 23 HD3 LYS 23 1.036 -20.401 -4.120 178 HE2 LYS 23 HE2 LYS 23 2.316 -22.473 -3.800 179 HE3 LYS 23 HE3 LYS 23 2.746 -21.983 -2.153 180 HZ1 LYS 23 HZ1 LYS 23 1.041 -23.479 -1.943 181 HZ2 LYS 23 HZ2 LYS 23 0.102 -22.818 -3.132 182 HZ3 LYS 23 HZ3 LYS 23 0.304 -22.053 -1.680 183 HA PRO 24 HA PRO 24 5.261 -14.011 -2.131 184 HB2 PRO 24 HB2 PRO 24 7.925 -14.426 -2.595 185 HB3 PRO 24 HB3 PRO 24 7.144 -14.795 -1.023 186 HG2 PRO 24 HG2 PRO 24 7.763 -16.707 -3.298 187 HG3 PRO 24 HG3 PRO 24 8.095 -16.926 -1.552 188 HD2 PRO 24 HD2 PRO 24 5.894 -17.986 -2.775 189 HD3 PRO 24 HD3 PRO 24 5.829 -17.424 -1.093 190 H PHE 25 HN PHE 25 6.268 -12.470 -3.754 191 HA PHE 25 HA PHE 25 5.657 -13.367 -6.516 192 HB2 PHE 25 HB2 PHE 25 4.331 -11.579 -5.438 193 HB3 PHE 25 HB3 PHE 25 5.793 -10.684 -5.081 194 HD1 PHE 25 HD1 PHE 25 3.847 -12.192 -7.926 195 HD2 PHE 25 HD2 PHE 25 6.421 -8.989 -6.626 196 HE1 PHE 25 HE1 PHE 25 3.528 -11.056 -10.123 197 HE2 PHE 25 HE2 PHE 25 6.069 -7.835 -8.813 198 HZ PHE 25 HZ PHE 25 4.619 -8.882 -10.548 199 H ARG 26 HN ARG 26 7.158 -12.391 -8.199 200 HA ARG 26 HA ARG 26 9.778 -11.610 -7.145 201 HB2 ARG 26 HB2 ARG 26 9.304 -13.550 -9.378 202 HB3 ARG 26 HB3 ARG 26 10.728 -12.598 -9.375 203 HG2 ARG 26 HG2 ARG 26 10.217 -13.967 -6.763 204 HG3 ARG 26 HG3 ARG 26 10.541 -15.032 -8.132 205 HD2 ARG 26 HD2 ARG 26 12.669 -14.032 -8.587 206 HD3 ARG 26 HD3 ARG 26 12.286 -12.626 -7.577 207 HE ARG 26 HE ARG 26 13.128 -13.554 -5.832 208 HH11 ARG 26 HH11 ARG 26 12.441 -16.463 -7.897 209 HH12 ARG 26 HH12 ARG 26 13.616 -17.387 -7.055 210 HH21 ARG 26 HH21 ARG 26 14.610 -14.903 -4.766 211 HH22 ARG 26 HH22 ARG 26 14.731 -16.577 -5.244 212 HA PRO 27 HA PRO 27 11.710 -10.834 -8.646 213 HB2 PRO 27 HB2 PRO 27 12.804 -8.274 -8.328 214 HB3 PRO 27 HB3 PRO 27 12.620 -9.090 -9.911 215 HG2 PRO 27 HG2 PRO 27 10.762 -7.075 -8.637 216 HG3 PRO 27 HG3 PRO 27 11.404 -7.090 -10.309 217 HD2 PRO 27 HD2 PRO 27 8.933 -8.074 -9.722 218 HD3 PRO 27 HD3 PRO 27 9.970 -8.867 -10.942 219 H SER 28 HN SER 28 12.979 -10.537 -6.481 220 HA SER 28 HA SER 28 10.985 -10.485 -4.393 221 HB2 SER 28 HB2 SER 28 13.891 -10.371 -3.718 222 HB3 SER 28 HB3 SER 28 12.575 -11.234 -2.948 223 HG SER 28 HG SER 28 14.172 -12.449 -4.248 224 H ASP 29 HN ASP 29 13.554 -8.369 -5.491 225 HA ASP 29 HA ASP 29 13.577 -6.619 -3.259 226 HB2 ASP 29 HB2 ASP 29 14.892 -6.303 -5.975 227 HB3 ASP 29 HB3 ASP 29 15.381 -5.531 -4.469 228 H TRP 30 HN TRP 30 11.151 -6.757 -5.280 229 HA TRP 30 HA TRP 30 10.875 -4.541 -6.883 230 HB2 TRP 30 HB2 TRP 30 8.507 -4.959 -6.815 231 HB3 TRP 30 HB3 TRP 30 9.347 -6.494 -6.809 232 HD1 TRP 30 HD1 TRP 30 9.046 -8.039 -4.637 233 HE1 TRP 30 HE1 TRP 30 7.341 -8.111 -2.814 234 HE3 TRP 30 HE3 TRP 30 7.046 -3.379 -5.280 235 HZ2 TRP 30 HZ2 TRP 30 5.258 -6.325 -1.694 236 HZ3 TRP 30 HZ3 TRP 30 5.076 -2.696 -3.944 237 HH2 TRP 30 HH2 TRP 30 4.155 -4.219 -2.212 238 H VAL 31 HN VAL 31 10.487 -4.683 -3.446 239 HA VAL 31 HA VAL 31 8.962 -2.345 -2.942 240 HB VAL 31 HB VAL 31 11.060 -3.855 -1.316 241 HG11 VAL 31 HG11 VAL 31 9.013 -1.889 -0.232 242 HG12 VAL 31 HG12 VAL 31 10.116 -2.906 0.697 243 HG13 VAL 31 HG13 VAL 31 10.771 -1.613 -0.315 244 HG21 VAL 31 HG21 VAL 31 8.923 -4.729 -0.201 245 HG22 VAL 31 HG22 VAL 31 8.031 -4.017 -1.542 246 HG23 VAL 31 HG23 VAL 31 9.225 -5.298 -1.848 247 H ASP 32 HN ASP 32 12.525 -2.821 -3.263 248 HA ASP 32 HA ASP 32 13.031 -0.064 -2.539 249 HB2 ASP 32 HB2 ASP 32 14.603 -2.320 -2.545 250 HB3 ASP 32 HB3 ASP 32 15.175 -1.517 -4.001 251 H ARG 33 HN ARG 33 12.500 -1.863 -5.497 252 HA ARG 33 HA ARG 33 13.311 0.224 -7.341 253 HB2 ARG 33 HB2 ARG 33 11.249 -1.988 -7.748 254 HB3 ARG 33 HB3 ARG 33 11.843 -0.892 -8.982 255 HG2 ARG 33 HG2 ARG 33 14.229 -1.894 -7.962 256 HG3 ARG 33 HG3 ARG 33 13.153 -3.273 -7.748 257 HD2 ARG 33 HD2 ARG 33 14.222 -3.440 -9.920 258 HD3 ARG 33 HD3 ARG 33 12.510 -3.084 -10.173 259 HE ARG 33 HE ARG 33 14.272 -0.733 -10.026 260 HH11 ARG 33 HH11 ARG 33 12.760 -3.086 -12.265 261 HH12 ARG 33 HH12 ARG 33 13.131 -2.146 -13.664 262 HH21 ARG 33 HH21 ARG 33 14.484 0.616 -11.895 263 HH22 ARG 33 HH22 ARG 33 14.125 -0.036 -13.447 264 H MET 34 HN MET 34 10.148 -0.583 -5.840 265 HA MET 34 HA MET 34 8.749 1.522 -7.154 266 HB2 MET 34 HB2 MET 34 8.108 -0.066 -4.632 267 HB3 MET 34 HB3 MET 34 7.047 1.181 -5.318 268 HG2 MET 34 HG2 MET 34 7.196 -0.052 -7.526 269 HG3 MET 34 HG3 MET 34 7.904 -1.408 -6.640 270 HE1 MET 34 HE1 MET 34 3.620 -0.390 -7.347 271 HE2 MET 34 HE2 MET 34 4.949 0.781 -7.490 272 HE3 MET 34 HE3 MET 34 4.981 -0.714 -8.446 273 H CYS 35 HN CYS 35 10.429 1.493 -3.916 274 HA CYS 35 HA CYS 35 9.573 4.205 -3.429 275 HB2 CYS 35 HB2 CYS 35 11.191 4.371 -1.705 276 HB3 CYS 35 HB3 CYS 35 10.453 2.764 -1.626 277 HG CYS 35 HG CYS 35 12.463 1.649 -3.099 278 H SER 36 HN SER 36 12.397 2.870 -5.192 279 HA SER 36 HA SER 36 13.587 5.341 -5.878 280 HB2 SER 36 HB2 SER 36 13.654 2.774 -7.415 281 HB3 SER 36 HB3 SER 36 14.774 4.122 -7.564 282 HG SER 36 HG SER 36 14.424 2.328 -5.384 283 H THR 37 HN THR 37 10.618 3.931 -7.191 284 HA THR 37 HA THR 37 10.629 5.348 -9.688 285 HB THR 37 HB THR 37 8.363 4.260 -7.951 286 HG1 THR 37 HG1 THR 37 9.492 3.041 -10.218 287 HG21 THR 37 HG21 THR 37 7.046 4.150 -10.006 288 HG22 THR 37 HG22 THR 37 8.364 4.936 -10.923 289 HG23 THR 37 HG23 THR 37 7.490 5.813 -9.650 290 H TYR 38 HN TYR 38 9.748 6.288 -6.364 291 HA TYR 38 HA TYR 38 8.541 8.825 -7.403 292 HB2 TYR 38 HB2 TYR 38 7.955 7.147 -4.951 293 HB3 TYR 38 HB3 TYR 38 7.281 8.751 -5.224 294 HD1 TYR 38 HD2 TYR 38 5.875 9.209 -7.264 295 HD2 TYR 38 HD1 TYR 38 6.954 5.203 -6.073 296 HE1 TYR 38 HE2 TYR 38 4.228 8.311 -8.851 297 HE2 TYR 38 HE1 TYR 38 5.277 4.287 -7.665 298 HH TYR 38 HH TYR 38 3.789 6.326 -10.128 299 H ALA 39 HN ALA 39 11.342 7.786 -6.111 300 HA ALA 39 HA ALA 39 11.753 9.836 -4.057 301 HB1 ALA 39 HB1 ALA 39 12.581 7.526 -3.783 302 HB2 ALA 39 HB2 ALA 39 13.521 7.679 -5.291 303 HB3 ALA 39 HB3 ALA 39 13.923 8.665 -3.863 304 H SER 40 HN SER 40 14.240 10.688 -4.386 305 HA SER 40 HA SER 40 14.736 11.654 -7.088 306 HB2 SER 40 HB2 SER 40 14.600 14.078 -6.398 307 HB3 SER 40 HB3 SER 40 13.034 13.267 -6.469 308 HG SER 40 HG SER 40 13.233 12.981 -4.166 309 H PHE 41 HN PHE 41 16.800 12.795 -7.250 310 HA PHE 41 HA PHE 41 18.769 12.112 -5.217 311 HB2 PHE 41 HB2 PHE 41 18.712 13.474 -7.846 312 HB3 PHE 41 HB3 PHE 41 19.950 14.025 -6.697 313 HD1 PHE 41 HD1 PHE 41 18.535 10.566 -7.329 314 HD2 PHE 41 HD2 PHE 41 22.003 13.126 -7.499 315 HE1 PHE 41 HE1 PHE 41 19.961 8.607 -7.550 316 HE2 PHE 41 HE2 PHE 41 23.453 11.125 -7.661 317 HZ PHE 41 HZ PHE 41 22.471 8.858 -7.569 318 H GLY 42 HN GLY 42 19.672 13.325 -3.652 319 HA2 GLY 42 HA2 GLY 42 18.042 15.610 -2.761 320 HA3 GLY 42 HA1 GLY 42 19.242 14.662 -1.865 321 H ALA 43 HN ALA 43 19.712 17.021 -1.294 322 HA ALA 43 HA ALA 43 21.338 18.646 -3.031 323 HB1 ALA 43 HB1 ALA 43 21.298 18.378 0.009 324 HB2 ALA 43 HB2 ALA 43 22.104 19.662 -0.910 325 HB3 ALA 43 HB3 ALA 43 20.336 19.524 -0.958 326 H ASP 44 HN ASP 44 21.899 15.697 -1.168 327 HA ASP 44 HA ASP 44 24.804 15.868 -1.362 328 HB2 ASP 44 HB2 ASP 44 23.391 14.887 0.574 329 HB3 ASP 44 HB3 ASP 44 23.168 13.474 -0.461 330 H ARG 45 HN ARG 45 22.585 15.114 -3.637 331 HA ARG 45 HA ARG 45 22.425 13.810 -5.462 332 HB2 ARG 45 HB2 ARG 45 25.425 14.276 -5.623 333 HB3 ARG 45 HB3 ARG 45 24.367 13.773 -6.935 334 HG2 ARG 45 HG2 ARG 45 24.303 15.972 -7.418 335 HG3 ARG 45 HG3 ARG 45 23.010 15.975 -6.220 336 HD2 ARG 45 HD2 ARG 45 25.038 16.396 -4.541 337 HD3 ARG 45 HD3 ARG 45 25.856 16.979 -5.987 338 HE ARG 45 HE ARG 45 23.929 18.270 -4.385 339 HH11 ARG 45 HH11 ARG 45 24.985 18.165 -7.779 340 HH12 ARG 45 HH12 ARG 45 24.029 19.493 -8.303 341 HH21 ARG 45 HH21 ARG 45 22.651 20.155 -5.057 342 HH22 ARG 45 HH22 ARG 45 22.755 20.707 -6.676 343 H LYS 46 HN LYS 46 22.122 12.038 -3.477 344 HA LYS 46 HA LYS 46 23.482 9.621 -4.586 345 HB2 LYS 46 HB2 LYS 46 24.263 10.900 -2.245 346 HB3 LYS 46 HB3 LYS 46 23.079 9.785 -1.614 347 HG2 LYS 46 HG2 LYS 46 25.461 9.087 -3.404 348 HG3 LYS 46 HG3 LYS 46 25.445 8.891 -1.635 349 HD2 LYS 46 HD2 LYS 46 23.549 7.265 -1.908 350 HD3 LYS 46 HD3 LYS 46 23.815 7.364 -3.671 351 HE2 LYS 46 HE2 LYS 46 26.044 6.470 -3.441 352 HE3 LYS 46 HE3 LYS 46 25.912 6.450 -1.680 353 HZ1 LYS 46 HZ1 LYS 46 25.493 4.290 -2.784 354 HZ2 LYS 46 HZ2 LYS 46 24.112 4.917 -3.452 355 HZ3 LYS 46 HZ3 LYS 46 24.249 4.759 -1.839 356 H LEU 47 HN LEU 47 20.836 10.649 -4.908 357 HA LEU 47 HA LEU 47 18.603 10.201 -4.729 358 HB2 LEU 47 HB2 LEU 47 19.785 7.879 -5.312 359 HB3 LEU 47 HB3 LEU 47 19.051 7.416 -3.803 360 HG LEU 47 HG LEU 47 17.415 8.841 -5.952 361 HD11 LEU 47 HD11 LEU 47 17.734 5.839 -5.911 362 HD12 LEU 47 HD12 LEU 47 18.703 6.913 -6.971 363 HD13 LEU 47 HD13 LEU 47 16.937 6.870 -7.114 364 HD21 LEU 47 HD21 LEU 47 16.803 6.940 -3.671 365 HD22 LEU 47 HD22 LEU 47 15.682 7.125 -5.030 366 HD23 LEU 47 HD23 LEU 47 16.092 8.526 -4.041 367 H ARG 48 HN ARG 48 16.835 10.012 -3.216 368 HA ARG 48 HA ARG 48 17.355 9.436 -0.412 369 HB2 ARG 48 HB2 ARG 48 17.767 12.016 -1.142 370 HB3 ARG 48 HB3 ARG 48 16.019 12.088 -1.068 371 HG2 ARG 48 HG2 ARG 48 17.882 11.184 1.168 372 HG3 ARG 48 HG3 ARG 48 17.144 12.782 1.038 373 HD2 ARG 48 HD2 ARG 48 14.874 11.695 1.185 374 HD3 ARG 48 HD3 ARG 48 15.690 10.145 1.474 375 HE ARG 48 HE ARG 48 16.777 11.849 3.336 376 HH11 ARG 48 HH11 ARG 48 13.632 10.364 2.610 377 HH12 ARG 48 HH12 ARG 48 12.971 10.515 4.182 378 HH21 ARG 48 HH21 ARG 48 15.898 12.053 5.554 379 HH22 ARG 48 HH22 ARG 48 14.365 11.297 5.916 380 H TYR 49 HN TYR 49 15.744 7.976 -0.104 381 HA TYR 49 HA TYR 49 13.345 7.928 -1.695 382 HB2 TYR 49 HB2 TYR 49 13.929 6.614 0.978 383 HB3 TYR 49 HB3 TYR 49 12.607 6.206 -0.113 384 HD1 TYR 49 HD1 TYR 49 14.291 6.318 -2.778 385 HD2 TYR 49 HD2 TYR 49 14.993 4.452 1.055 386 HE1 TYR 49 HE1 TYR 49 15.666 4.602 -3.867 387 HE2 TYR 49 HE2 TYR 49 16.377 2.756 -0.044 388 HH TYR 49 HH TYR 49 16.736 1.695 -2.515 389 H SER 50 HN SER 50 11.412 8.891 -1.397 390 HA SER 50 HA SER 50 11.060 11.100 0.352 391 HB2 SER 50 HB2 SER 50 9.226 9.415 -1.409 392 HB3 SER 50 HB3 SER 50 8.720 10.942 -0.676 393 HG SER 50 HG SER 50 10.297 12.013 -1.820 394 HA PRO 51 HA PRO 51 9.378 9.476 4.036 395 HB2 PRO 51 HB2 PRO 51 7.064 10.998 4.476 396 HB3 PRO 51 HB3 PRO 51 8.734 11.504 4.832 397 HG2 PRO 51 HG2 PRO 51 7.062 12.130 2.393 398 HG3 PRO 51 HG3 PRO 51 8.170 13.217 3.296 399 HD2 PRO 51 HD2 PRO 51 8.925 12.107 1.000 400 HD3 PRO 51 HD3 PRO 51 10.073 12.259 2.358 401 H TYR 52 HN TYR 52 7.030 9.633 1.335 402 HA TYR 52 HA TYR 52 5.057 8.247 2.873 403 HB2 TYR 52 HB2 TYR 52 4.931 9.009 -0.047 404 HB3 TYR 52 HB3 TYR 52 3.582 8.762 1.026 405 HD1 TYR 52 HD1 TYR 52 4.133 10.461 3.376 406 HD2 TYR 52 HD2 TYR 52 4.966 11.181 -0.814 407 HE1 TYR 52 HE1 TYR 52 4.017 12.881 3.761 408 HE2 TYR 52 HE2 TYR 52 4.857 13.600 -0.416 409 HH TYR 52 HH TYR 52 4.396 15.260 1.078 410 H LEU 53 HN LEU 53 7.559 6.676 1.785 411 HA LEU 53 HA LEU 53 6.123 4.339 0.728 412 HB2 LEU 53 HB2 LEU 53 7.479 6.371 -0.897 413 HB3 LEU 53 HB3 LEU 53 8.215 4.790 -1.141 414 HG LEU 53 HG LEU 53 5.229 5.320 -1.437 415 HD11 LEU 53 HD11 LEU 53 6.537 6.534 -3.164 416 HD12 LEU 53 HD12 LEU 53 5.645 5.192 -3.861 417 HD13 LEU 53 HD13 LEU 53 7.389 5.034 -3.582 418 HD21 LEU 53 HD21 LEU 53 5.236 3.155 -2.625 419 HD22 LEU 53 HD22 LEU 53 5.739 2.965 -0.951 420 HD23 LEU 53 HD23 LEU 53 6.961 2.954 -2.246 421 H LYS 54 HN LYS 54 6.974 2.993 2.367 422 HA LYS 54 HA LYS 54 9.943 2.833 2.499 423 HB2 LYS 54 HB2 LYS 54 8.148 3.165 4.938 424 HB3 LYS 54 HB3 LYS 54 9.862 2.758 4.969 425 HG2 LYS 54 HG2 LYS 54 10.125 4.964 3.524 426 HG3 LYS 54 HG3 LYS 54 8.540 5.363 4.190 427 HD2 LYS 54 HD2 LYS 54 11.174 4.937 5.640 428 HD3 LYS 54 HD3 LYS 54 10.264 6.413 5.463 429 HE2 LYS 54 HE2 LYS 54 9.630 5.990 7.567 430 HE3 LYS 54 HE3 LYS 54 8.371 5.028 6.789 431 HZ1 LYS 54 HZ1 LYS 54 9.712 4.004 8.659 432 HZ2 LYS 54 HZ2 LYS 54 10.965 3.842 7.594 433 HZ3 LYS 54 HZ3 LYS 54 9.516 3.069 7.342 434 HA PRO 55 HA PRO 55 9.141 -1.554 2.772 435 HB2 PRO 55 HB2 PRO 55 11.520 -2.485 3.754 436 HB3 PRO 55 HB3 PRO 55 11.385 -1.775 2.122 437 HG2 PRO 55 HG2 PRO 55 12.245 -0.383 4.665 438 HG3 PRO 55 HG3 PRO 55 13.106 -0.411 3.101 439 HD2 PRO 55 HD2 PRO 55 11.488 1.646 3.783 440 HD3 PRO 55 HD3 PRO 55 11.491 1.030 2.102 441 H ARG 56 HN ARG 56 9.024 -3.292 4.341 442 HA ARG 56 HA ARG 56 9.454 -2.723 7.204 443 HB2 ARG 56 HB2 ARG 56 6.826 -3.430 5.910 444 HB3 ARG 56 HB3 ARG 56 7.179 -4.175 7.456 445 HG2 ARG 56 HG2 ARG 56 7.479 -2.104 8.585 446 HG3 ARG 56 HG3 ARG 56 7.379 -1.171 7.076 447 HD2 ARG 56 HD2 ARG 56 5.109 -1.820 6.724 448 HD3 ARG 56 HD3 ARG 56 5.129 -2.930 8.094 449 HE ARG 56 HE ARG 56 5.092 0.062 8.192 450 HH11 ARG 56 HH11 ARG 56 4.939 -2.983 10.107 451 HH12 ARG 56 HH12 ARG 56 4.223 -2.143 11.448 452 HH21 ARG 56 HH21 ARG 56 4.060 0.979 9.932 453 HH22 ARG 56 HH22 ARG 56 3.583 -0.018 11.312 454 H VAL 57 HN VAL 57 8.684 -5.206 8.111 455 HA VAL 57 HA VAL 57 8.967 -7.166 6.059 456 HB VAL 57 HB VAL 57 10.152 -7.694 8.821 457 HG11 VAL 57 HG11 VAL 57 9.939 -9.496 6.389 458 HG12 VAL 57 HG12 VAL 57 10.787 -9.892 7.901 459 HG13 VAL 57 HG13 VAL 57 9.040 -9.661 7.920 460 HG21 VAL 57 HG21 VAL 57 11.589 -7.514 6.143 461 HG22 VAL 57 HG22 VAL 57 11.785 -6.392 7.504 462 HG23 VAL 57 HG23 VAL 57 12.318 -8.065 7.668 463 H ILE 58 HN ILE 58 7.074 -8.484 6.295 464 HA ILE 58 HA ILE 58 5.752 -8.559 8.936 465 HB ILE 58 HB ILE 58 4.240 -8.084 6.323 466 HG12 ILE 58 HG12 ILE 58 4.683 -6.344 8.798 467 HG13 ILE 58 HG13 ILE 58 5.155 -5.982 7.137 468 HG21 ILE 58 HG21 ILE 58 3.166 -8.527 9.149 469 HG22 ILE 58 HG22 ILE 58 2.198 -8.235 7.690 470 HG23 ILE 58 HG23 ILE 58 3.108 -9.717 7.827 471 HD11 ILE 58 HD11 ILE 58 2.342 -6.028 8.266 472 HD12 ILE 58 HD12 ILE 58 3.261 -4.637 7.678 473 HD13 ILE 58 HD13 ILE 58 2.719 -5.881 6.529 474 H GLU 59 HN GLU 59 5.696 -10.694 9.421 475 HA GLU 59 HA GLU 59 5.844 -12.956 9.251 476 HB2 GLU 59 HB2 GLU 59 4.070 -12.357 6.886 477 HB3 GLU 59 HB3 GLU 59 4.311 -13.986 7.537 478 HG2 GLU 59 HG2 GLU 59 3.382 -13.412 9.655 479 HG3 GLU 59 HG3 GLU 59 3.405 -11.689 9.321 480 H GLY 60 HN GLY 60 7.749 -11.225 7.439 481 HA2 GLY 60 HA2 GLY 60 9.954 -12.131 6.833 482 HA3 GLY 60 HA1 GLY 60 9.151 -13.550 6.178 483 H VAL 61 HN VAL 61 7.008 -11.298 5.171 484 HA VAL 61 HA VAL 61 8.147 -11.274 2.500 485 HB VAL 61 HB VAL 61 5.678 -11.551 3.341 486 HG11 VAL 61 HG11 VAL 61 5.799 -9.135 4.332 487 HG12 VAL 61 HG12 VAL 61 5.419 -8.666 2.689 488 HG13 VAL 61 HG13 VAL 61 4.335 -9.768 3.603 489 HG21 VAL 61 HG21 VAL 61 6.375 -11.748 1.011 490 HG22 VAL 61 HG22 VAL 61 4.844 -10.887 1.164 491 HG23 VAL 61 HG23 VAL 61 6.344 -9.979 0.830 492 H ARG 62 HN ARG 62 8.711 -9.303 1.360 493 HA ARG 62 HA ARG 62 10.127 -7.394 2.915 494 HB2 ARG 62 HB2 ARG 62 9.135 -7.046 0.055 495 HB3 ARG 62 HB3 ARG 62 10.357 -6.096 0.898 496 HG2 ARG 62 HG2 ARG 62 11.626 -7.350 -0.458 497 HG3 ARG 62 HG3 ARG 62 11.770 -8.293 1.002 498 HD2 ARG 62 HD2 ARG 62 9.755 -8.962 -1.183 499 HD3 ARG 62 HD3 ARG 62 11.447 -9.467 -1.244 500 HE ARG 62 HE ARG 62 10.754 -10.338 1.202 501 HH11 ARG 62 HH11 ARG 62 9.447 -10.937 -2.113 502 HH12 ARG 62 HH12 ARG 62 9.296 -12.625 -1.843 503 HH21 ARG 62 HH21 ARG 62 10.243 -12.653 1.547 504 HH22 ARG 62 HH22 ARG 62 9.786 -13.587 0.214 505 H CYS 63 HN CYS 63 7.047 -7.000 1.170 506 HA CYS 63 HA CYS 63 5.240 -5.676 1.423 507 HB2 CYS 63 HB2 CYS 63 6.208 -5.841 4.223 508 HB3 CYS 63 HB3 CYS 63 5.196 -4.431 3.843 509 HG CYS 63 HG CYS 63 3.169 -5.663 3.064 510 H LEU 64 HN LEU 64 4.554 -3.421 1.348 511 HA LEU 64 HA LEU 64 6.740 -1.431 1.392 512 HB2 LEU 64 HB2 LEU 64 6.331 -2.622 -0.902 513 HB3 LEU 64 HB3 LEU 64 4.869 -1.683 -0.973 514 HG LEU 64 HG LEU 64 7.581 -1.012 -1.669 515 HD11 LEU 64 HD11 LEU 64 5.582 -0.666 -3.028 516 HD12 LEU 64 HD12 LEU 64 6.547 0.797 -2.867 517 HD13 LEU 64 HD13 LEU 64 5.051 0.612 -1.913 518 HD21 LEU 64 HD21 LEU 64 7.838 1.265 -0.834 519 HD22 LEU 64 HD22 LEU 64 7.933 0.105 0.476 520 HD23 LEU 64 HD23 LEU 64 6.447 1.055 0.236 521 H ALA 65 HN ALA 65 5.990 0.189 2.661 522 HA ALA 65 HA ALA 65 3.141 0.458 3.361 523 HB1 ALA 65 HB1 ALA 65 5.601 2.065 4.161 524 HB2 ALA 65 HB2 ALA 65 3.958 2.281 4.771 525 HB3 ALA 65 HB3 ALA 65 4.806 0.772 5.113 526 H VAL 66 HN VAL 66 1.872 2.400 2.791 527 HA VAL 66 HA VAL 66 3.178 4.395 1.040 528 HB VAL 66 HB VAL 66 0.428 3.470 0.288 529 HG11 VAL 66 HG11 VAL 66 1.221 5.718 -0.430 530 HG12 VAL 66 HG12 VAL 66 2.660 4.974 -1.161 531 HG13 VAL 66 HG13 VAL 66 1.045 4.612 -1.805 532 HG21 VAL 66 HG21 VAL 66 1.490 2.251 -1.586 533 HG22 VAL 66 HG22 VAL 66 3.088 2.519 -0.832 534 HG23 VAL 66 HG23 VAL 66 1.864 1.504 -0.033 535 H ASP 67 HN ASP 67 2.960 6.194 2.266 536 HA ASP 67 HA ASP 67 1.010 6.583 4.459 537 HB2 ASP 67 HB2 ASP 67 3.338 7.545 4.504 538 HB3 ASP 67 HB3 ASP 67 2.885 8.578 3.154 539 H LEU 68 HN LEU 68 -0.924 7.683 4.350 540 HA LEU 68 HA LEU 68 -2.165 7.932 1.794 541 HB2 LEU 68 HB2 LEU 68 -3.040 7.994 4.551 542 HB3 LEU 68 HB3 LEU 68 -3.794 9.281 3.683 543 HG LEU 68 HG LEU 68 -3.816 6.361 3.131 544 HD11 LEU 68 HD11 LEU 68 -6.252 6.477 3.447 545 HD12 LEU 68 HD12 LEU 68 -6.100 8.218 3.805 546 HD13 LEU 68 HD13 LEU 68 -5.344 7.000 4.853 547 HD21 LEU 68 HD21 LEU 68 -5.487 6.728 1.254 548 HD22 LEU 68 HD22 LEU 68 -3.892 7.300 0.846 549 HD23 LEU 68 HD23 LEU 68 -5.134 8.475 1.355 550 H LYS 69 HN LYS 69 -0.209 10.107 3.456 551 HA LYS 69 HA LYS 69 -1.453 12.606 2.736 552 HB2 LYS 69 HB2 LYS 69 0.478 12.131 4.412 553 HB3 LYS 69 HB3 LYS 69 1.547 12.257 3.029 554 HG2 LYS 69 HG2 LYS 69 -0.416 14.389 3.990 555 HG3 LYS 69 HG3 LYS 69 1.237 14.282 4.518 556 HD2 LYS 69 HD2 LYS 69 1.843 15.706 2.937 557 HD3 LYS 69 HD3 LYS 69 1.522 14.435 1.763 558 HE2 LYS 69 HE2 LYS 69 0.200 16.179 0.941 559 HE3 LYS 69 HE3 LYS 69 -0.932 15.205 1.878 560 HZ1 LYS 69 HZ1 LYS 69 -1.388 17.359 2.417 561 HZ2 LYS 69 HZ2 LYS 69 0.179 17.834 2.580 562 HZ3 LYS 69 HZ3 LYS 69 -0.498 16.864 3.732 563 H LEU 70 HN LEU 70 0.698 10.396 0.935 564 HA LEU 70 HA LEU 70 1.399 12.222 -1.144 565 HB2 LEU 70 HB2 LEU 70 2.497 10.098 -1.079 566 HB3 LEU 70 HB3 LEU 70 1.000 9.208 -1.211 567 HG LEU 70 HG LEU 70 2.219 9.142 -3.338 568 HD11 LEU 70 HD11 LEU 70 -0.334 9.425 -3.320 569 HD12 LEU 70 HD12 LEU 70 0.647 9.288 -4.777 570 HD13 LEU 70 HD13 LEU 70 0.085 10.857 -4.296 571 HD21 LEU 70 HD21 LEU 70 3.389 11.347 -2.871 572 HD22 LEU 70 HD22 LEU 70 2.006 12.119 -3.657 573 HD23 LEU 70 HD23 LEU 70 3.000 10.909 -4.533 574 H LYS 71 HN LYS 71 -1.550 10.210 -0.706 575 HA LYS 71 HA LYS 71 -2.529 10.701 -3.326 576 HB2 LYS 71 HB2 LYS 71 -3.149 8.822 -1.878 577 HB3 LYS 71 HB3 LYS 71 -4.073 9.918 -0.831 578 HG2 LYS 71 HG2 LYS 71 -5.703 8.929 -2.072 579 HG3 LYS 71 HG3 LYS 71 -5.506 10.421 -2.941 580 HD2 LYS 71 HD2 LYS 71 -4.108 9.183 -4.654 581 HD3 LYS 71 HD3 LYS 71 -4.421 7.727 -3.750 582 HE2 LYS 71 HE2 LYS 71 -5.957 7.679 -5.557 583 HE3 LYS 71 HE3 LYS 71 -6.878 8.026 -4.094 584 HZ1 LYS 71 HZ1 LYS 71 -6.897 10.384 -4.810 585 HZ2 LYS 71 HZ2 LYS 71 -7.658 9.349 -5.834 586 HZ3 LYS 71 HZ3 LYS 71 -6.206 9.942 -6.249 587 H ASP 72 HN ASP 72 -2.223 12.826 -0.775 588 HA ASP 72 HA ASP 72 -4.454 14.736 -1.236 589 HB2 ASP 72 HB2 ASP 72 -3.091 14.068 0.950 590 HB3 ASP 72 HB3 ASP 72 -1.932 15.218 0.265 591 H THR 73 HN THR 73 -1.299 14.094 -2.449 592 HA THR 73 HA THR 73 -0.963 16.845 -3.556 593 HB THR 73 HB THR 73 0.392 16.639 -1.646 594 HG1 THR 73 HG1 THR 73 1.505 17.713 -3.128 595 HG21 THR 73 HG21 THR 73 1.731 14.164 -2.721 596 HG22 THR 73 HG22 THR 73 0.606 14.273 -1.345 597 HG23 THR 73 HG23 THR 73 2.146 15.072 -1.246 598 H ASN 74 HN ASN 74 0.175 13.412 -4.164 599 HA ASN 74 HA ASN 74 0.160 14.136 -7.111 600 HB2 ASN 74 HB2 ASN 74 2.563 14.041 -6.010 601 HB3 ASN 74 HB3 ASN 74 2.303 12.368 -5.935 602 HD21 ASN 74 HD21 ASN 74 3.314 11.297 -7.635 603 HD22 ASN 74 HD22 ASN 74 3.324 11.884 -9.287 604 HA PRO 75 HA PRO 75 -1.899 10.379 -5.418 605 HB2 PRO 75 HB2 PRO 75 -4.475 10.612 -6.533 606 HB3 PRO 75 HB3 PRO 75 -3.942 11.494 -5.061 607 HG2 PRO 75 HG2 PRO 75 -3.988 12.518 -7.910 608 HG3 PRO 75 HG3 PRO 75 -4.650 13.304 -6.429 609 HD2 PRO 75 HD2 PRO 75 -2.193 13.965 -7.372 610 HD3 PRO 75 HD3 PRO 75 -2.465 13.735 -5.622 611 H GLU 76 HN GLU 76 -1.620 11.299 -8.749 612 HA GLU 76 HA GLU 76 -2.473 9.079 -10.209 613 HB2 GLU 76 HB2 GLU 76 -1.565 11.365 -10.853 614 HB3 GLU 76 HB3 GLU 76 0.048 10.756 -10.593 615 HG2 GLU 76 HG2 GLU 76 -0.278 9.085 -12.369 616 HG3 GLU 76 HG3 GLU 76 -1.983 9.569 -12.523 617 H GLY 77 HN GLY 77 0.504 9.617 -8.355 618 HA2 GLY 77 HA2 GLY 77 1.831 7.214 -9.136 619 HA3 GLY 77 HA1 GLY 77 2.228 8.221 -7.724 620 H PHE 78 HN PHE 78 -0.293 8.021 -6.394 621 HA PHE 78 HA PHE 78 0.021 5.533 -4.954 622 HB2 PHE 78 HB2 PHE 78 -0.828 7.627 -4.065 623 HB3 PHE 78 HB3 PHE 78 -2.292 7.486 -4.964 624 HD1 PHE 78 HD1 PHE 78 -3.702 5.268 -4.467 625 HD2 PHE 78 HD2 PHE 78 -0.498 6.768 -2.040 626 HE1 PHE 78 HE1 PHE 78 -4.423 3.798 -2.571 627 HE2 PHE 78 HE2 PHE 78 -1.264 5.284 -0.121 628 HZ PHE 78 HZ PHE 78 -3.198 3.792 -0.487 629 H ASN 79 HN ASN 79 -2.288 6.757 -7.365 630 HA ASN 79 HA ASN 79 -4.026 4.570 -7.531 631 HB2 ASN 79 HB2 ASN 79 -3.167 6.790 -9.368 632 HB3 ASN 79 HB3 ASN 79 -4.085 5.499 -10.082 633 HD21 ASN 79 HD21 ASN 79 -5.158 7.872 -10.273 634 HD22 ASN 79 HD22 ASN 79 -6.540 8.048 -9.206 635 H GLN 80 HN GLN 80 -0.904 5.057 -9.338 636 HA GLN 80 HA GLN 80 -1.051 2.570 -10.737 637 HB2 GLN 80 HB2 GLN 80 1.323 4.309 -9.910 638 HB3 GLN 80 HB3 GLN 80 1.432 2.828 -10.848 639 HG2 GLN 80 HG2 GLN 80 -0.225 3.911 -12.500 640 HG3 GLN 80 HG3 GLN 80 0.128 5.417 -11.634 641 HE21 GLN 80 HE21 GLN 80 1.123 6.330 -13.584 642 HE22 GLN 80 HE22 GLN 80 2.650 5.675 -14.210 643 H LEU 81 HN LEU 81 0.468 3.432 -7.543 644 HA LEU 81 HA LEU 81 1.710 0.931 -7.179 645 HB2 LEU 81 HB2 LEU 81 1.021 3.301 -5.531 646 HB3 LEU 81 HB3 LEU 81 0.912 1.803 -4.624 647 HG LEU 81 HG LEU 81 3.347 1.864 -6.297 648 HD11 LEU 81 HD11 LEU 81 3.181 4.060 -4.248 649 HD12 LEU 81 HD12 LEU 81 3.138 4.265 -6.038 650 HD13 LEU 81 HD13 LEU 81 4.577 3.576 -5.266 651 HD21 LEU 81 HD21 LEU 81 4.505 1.427 -4.212 652 HD22 LEU 81 HD22 LEU 81 3.114 0.371 -4.404 653 HD23 LEU 81 HD23 LEU 81 3.038 1.767 -3.269 654 H MET 82 HN MET 82 -1.591 2.011 -6.277 655 HA MET 82 HA MET 82 -2.301 -0.452 -5.076 656 HB2 MET 82 HB2 MET 82 -4.054 1.544 -6.598 657 HB3 MET 82 HB3 MET 82 -4.670 0.134 -5.735 658 HG2 MET 82 HG2 MET 82 -3.115 1.301 -3.789 659 HG3 MET 82 HG3 MET 82 -3.682 2.712 -4.690 660 HE1 MET 82 HE1 MET 82 -4.228 1.267 -1.614 661 HE2 MET 82 HE2 MET 82 -5.824 0.525 -1.473 662 HE3 MET 82 HE3 MET 82 -4.551 -0.293 -2.389 663 H HIS 83 HN HIS 83 -2.132 0.537 -8.517 664 HA HIS 83 HA HIS 83 -3.716 -1.663 -9.438 665 HB2 HIS 83 HB2 HIS 83 -3.280 0.512 -10.712 666 HB3 HIS 83 HB3 HIS 83 -1.701 -0.143 -11.132 667 HD1 HIS 83 HD1 HIS 83 -2.004 -0.870 -13.648 668 HD2 HIS 83 HD2 HIS 83 -5.143 -2.045 -11.084 669 HE1 HIS 83 HE1 HIS 83 -3.542 -2.385 -14.988 670 H PHE 84 HN PHE 84 -0.200 -1.044 -9.249 671 HA PHE 84 HA PHE 84 0.835 -3.494 -10.207 672 HB2 PHE 84 HB2 PHE 84 2.220 -1.638 -9.652 673 HB3 PHE 84 HB3 PHE 84 1.702 -1.558 -7.987 674 HD1 PHE 84 HD1 PHE 84 2.306 -3.506 -6.421 675 HD2 PHE 84 HD2 PHE 84 4.149 -2.928 -10.274 676 HE1 PHE 84 HE1 PHE 84 4.195 -4.967 -5.736 677 HE2 PHE 84 HE2 PHE 84 6.059 -4.342 -9.572 678 HZ PHE 84 HZ PHE 84 6.061 -5.405 -7.326 679 H ALA 85 HN ALA 85 -0.466 -2.779 -6.917 680 HA ALA 85 HA ALA 85 0.041 -5.446 -5.965 681 HB1 ALA 85 HB1 ALA 85 -0.371 -3.403 -4.506 682 HB2 ALA 85 HB2 ALA 85 -2.078 -3.485 -4.963 683 HB3 ALA 85 HB3 ALA 85 -1.348 -4.836 -4.075 684 H THR 86 HN THR 86 -2.886 -3.859 -7.196 685 HA THR 86 HA THR 86 -4.581 -6.088 -6.864 686 HB THR 86 HB THR 86 -4.736 -3.690 -8.783 687 HG1 THR 86 HG1 THR 86 -4.569 -2.925 -6.759 688 HG21 THR 86 HG21 THR 86 -6.476 -5.329 -9.386 689 HG22 THR 86 HG22 THR 86 -7.169 -3.860 -8.693 690 HG23 THR 86 HG23 THR 86 -7.062 -5.330 -7.720 691 H GLU 87 HN GLU 87 -2.372 -5.230 -9.541 692 HA GLU 87 HA GLU 87 -3.620 -6.969 -11.433 693 HB2 GLU 87 HB2 GLU 87 -1.213 -5.246 -11.281 694 HB3 GLU 87 HB3 GLU 87 -0.945 -6.698 -12.228 695 HG2 GLU 87 HG2 GLU 87 -3.230 -4.751 -12.646 696 HG3 GLU 87 HG3 GLU 87 -1.719 -4.748 -13.555 697 H ASN 88 HN ASN 88 -0.778 -7.482 -9.060 698 HA ASN 88 HA ASN 88 -0.618 -10.184 -10.252 699 HB2 ASN 88 HB2 ASN 88 1.185 -8.298 -8.751 700 HB3 ASN 88 HB3 ASN 88 1.551 -9.987 -8.854 701 HD21 ASN 88 HD21 ASN 88 2.035 -7.017 -10.390 702 HD22 ASN 88 HD22 ASN 88 2.074 -7.411 -12.048 703 H GLN 89 HN GLN 89 -2.094 -8.547 -7.721 704 HA GLN 89 HA GLN 89 -3.542 -9.115 -6.191 705 HB2 GLN 89 HB2 GLN 89 -2.978 -12.029 -6.761 706 HB3 GLN 89 HB3 GLN 89 -4.361 -11.382 -5.877 707 HG2 GLN 89 HG2 GLN 89 -3.815 -10.960 -8.848 708 HG3 GLN 89 HG3 GLN 89 -4.994 -12.070 -8.146 709 HE21 GLN 89 HE21 GLN 89 -5.987 -10.347 -9.960 710 HE22 GLN 89 HE22 GLN 89 -6.797 -9.000 -9.204 711 H LEU 90 HN LEU 90 -0.822 -8.544 -5.550 712 HA LEU 90 HA LEU 90 0.348 -10.127 -3.690 713 HB2 LEU 90 HB2 LEU 90 0.326 -7.170 -4.280 714 HB3 LEU 90 HB3 LEU 90 1.636 -7.971 -3.413 715 HG LEU 90 HG LEU 90 2.562 -8.517 -5.179 716 HD11 LEU 90 HD11 LEU 90 1.764 -10.609 -5.180 717 HD12 LEU 90 HD12 LEU 90 2.202 -10.064 -6.815 718 HD13 LEU 90 HD13 LEU 90 0.512 -10.173 -6.282 719 HD21 LEU 90 HD21 LEU 90 0.765 -7.153 -6.887 720 HD22 LEU 90 HD22 LEU 90 2.529 -7.448 -7.060 721 HD23 LEU 90 HD23 LEU 90 1.948 -6.427 -5.729 722 H ASN 91 HN ASN 91 -2.275 -9.545 -2.824 723 HA ASN 91 HA ASN 91 -3.647 -8.811 -1.066 724 HB2 ASN 91 HB2 ASN 91 -2.106 -10.649 -0.277 725 HB3 ASN 91 HB3 ASN 91 -1.207 -9.435 0.591 726 HD21 ASN 91 HD21 ASN 91 -2.724 -11.620 1.708 727 HD22 ASN 91 HD22 ASN 91 -3.906 -10.836 2.787 728 H ILE 92 HN ILE 92 -4.345 -6.841 -0.584 729 HA ILE 92 HA ILE 92 -2.403 -4.711 0.025 730 HB ILE 92 HB ILE 92 -5.406 -4.748 -0.524 731 HG12 ILE 92 HG12 ILE 92 -3.058 -3.664 -2.184 732 HG13 ILE 92 HG13 ILE 92 -3.886 -5.186 -2.496 733 HG21 ILE 92 HG21 ILE 92 -3.941 -2.118 -0.520 734 HG22 ILE 92 HG22 ILE 92 -5.639 -2.474 -0.207 735 HG23 ILE 92 HG23 ILE 92 -4.417 -2.790 1.037 736 HD11 ILE 92 HD11 ILE 92 -5.994 -3.994 -2.910 737 HD12 ILE 92 HD12 ILE 92 -5.136 -2.446 -2.707 738 HD13 ILE 92 HD13 ILE 92 -4.692 -3.535 -4.030 739 H LEU 93 HN LEU 93 -1.730 -5.222 2.074 740 HA LEU 93 HA LEU 93 -3.657 -5.549 4.234 741 HB2 LEU 93 HB2 LEU 93 -0.694 -4.870 4.336 742 HB3 LEU 93 HB3 LEU 93 -1.739 -5.276 5.696 743 HG LEU 93 HG LEU 93 -0.796 -6.979 3.460 744 HD11 LEU 93 HD11 LEU 93 0.405 -8.279 5.122 745 HD12 LEU 93 HD12 LEU 93 -0.209 -7.244 6.406 746 HD13 LEU 93 HD13 LEU 93 0.874 -6.569 5.172 747 HD21 LEU 93 HD21 LEU 93 -2.785 -7.804 5.570 748 HD22 LEU 93 HD22 LEU 93 -1.874 -8.957 4.573 749 HD23 LEU 93 HD23 LEU 93 -2.981 -7.814 3.821 750 H ASP 94 HN ASP 94 -3.306 -4.002 5.945 751 HA ASP 94 HA ASP 94 -3.164 -1.129 5.105 752 HB2 ASP 94 HB2 ASP 94 -5.542 -2.081 5.684 753 HB3 ASP 94 HB3 ASP 94 -5.038 -1.885 7.321 754 H ALA 95 HN ALA 95 -3.309 -0.053 7.546 755 HA ALA 95 HA ALA 95 -0.615 0.009 8.129 756 HB1 ALA 95 HB1 ALA 95 -2.014 1.860 8.814 757 HB2 ALA 95 HB2 ALA 95 -2.825 0.852 10.046 758 HB3 ALA 95 HB3 ALA 95 -1.113 1.285 10.217 759 H GLU 96 HN GLU 96 -3.005 -2.015 9.849 760 HA GLU 96 HA GLU 96 -1.034 -2.703 11.902 761 HB2 GLU 96 HB2 GLU 96 -3.905 -3.507 11.405 762 HB3 GLU 96 HB3 GLU 96 -2.937 -4.318 12.613 763 HG2 GLU 96 HG2 GLU 96 -2.887 -1.329 12.802 764 HG3 GLU 96 HG3 GLU 96 -4.477 -2.051 12.984 765 H GLY 97 HN GLY 97 -1.954 -3.799 8.797 766 HA2 GLY 97 HA2 GLY 97 -0.827 -5.414 7.581 767 HA3 GLY 97 HA1 GLY 97 -0.383 -6.335 8.989 768 H ASN 98 HN ASN 98 -3.706 -5.254 8.905 769 HA ASN 98 HA ASN 98 -4.723 -7.983 8.433 770 HB2 ASN 98 HB2 ASN 98 -6.384 -5.448 8.678 771 HB3 ASN 98 HB3 ASN 98 -6.868 -7.107 8.998 772 HD21 ASN 98 HD21 ASN 98 -6.650 -4.469 10.700 773 HD22 ASN 98 HD22 ASN 98 -5.913 -5.078 12.184 774 H SER 99 HN SER 99 -5.849 -8.573 6.519 775 HA SER 99 HA SER 99 -5.112 -7.177 4.051 776 HB2 SER 99 HB2 SER 99 -7.008 -9.512 4.359 777 HB3 SER 99 HB3 SER 99 -6.095 -8.992 2.933 778 HG SER 99 HG SER 99 -4.801 -9.933 5.298 779 H ILE 100 HN ILE 100 -6.266 -5.548 3.171 780 HA ILE 100 HA ILE 100 -9.219 -5.348 3.540 781 HB ILE 100 HB ILE 100 -8.941 -2.916 3.168 782 HG12 ILE 100 HG12 ILE 100 -5.981 -3.224 3.783 783 HG13 ILE 100 HG13 ILE 100 -6.579 -3.186 2.133 784 HG21 ILE 100 HG21 ILE 100 -7.497 -3.894 5.651 785 HG22 ILE 100 HG22 ILE 100 -8.353 -2.346 5.427 786 HG23 ILE 100 HG23 ILE 100 -9.265 -3.855 5.413 787 HD11 ILE 100 HD11 ILE 100 -5.865 -0.963 2.794 788 HD12 ILE 100 HD12 ILE 100 -7.613 -1.000 2.475 789 HD13 ILE 100 HD13 ILE 100 -7.019 -0.957 4.144 790 H ASP 101 HN ASP 101 -9.719 -3.553 1.539 791 HA ASP 101 HA ASP 101 -8.818 -4.858 -0.984 792 HB2 ASP 101 HB2 ASP 101 -11.522 -3.853 -0.110 793 HB3 ASP 101 HB3 ASP 101 -11.064 -3.627 -1.773 794 H ALA 102 HN ALA 102 -8.787 -3.294 -2.691 795 HA ALA 102 HA ALA 102 -7.266 -0.893 -2.019 796 HB1 ALA 102 HB1 ALA 102 -8.547 -1.728 -4.684 797 HB2 ALA 102 HB2 ALA 102 -7.311 -0.478 -4.459 798 HB3 ALA 102 HB3 ALA 102 -6.915 -2.178 -4.179 799 H ALA 103 HN ALA 103 -10.567 -1.604 -3.006 800 HA ALA 103 HA ALA 103 -11.417 0.975 -3.746 801 HB1 ALA 103 HB1 ALA 103 -13.668 0.088 -3.394 802 HB2 ALA 103 HB2 ALA 103 -12.648 -1.143 -4.177 803 HB3 ALA 103 HB3 ALA 103 -13.025 -1.271 -2.442 804 H GLN 104 HN GLN 104 -11.109 -0.538 -0.532 805 HA GLN 104 HA GLN 104 -12.586 1.438 0.925 806 HB2 GLN 104 HB2 GLN 104 -10.548 -0.640 1.814 807 HB3 GLN 104 HB3 GLN 104 -11.593 0.294 2.885 808 HG2 GLN 104 HG2 GLN 104 -13.309 -0.879 0.899 809 HG3 GLN 104 HG3 GLN 104 -12.162 -2.128 1.385 810 HE21 GLN 104 HE21 GLN 104 -12.877 -3.378 3.099 811 HE22 GLN 104 HE22 GLN 104 -14.143 -2.855 4.175 812 H VAL 105 HN VAL 105 -9.713 1.830 -0.715 813 HA VAL 105 HA VAL 105 -8.578 3.738 1.246 814 HB VAL 105 HB VAL 105 -7.075 2.436 -1.021 815 HG11 VAL 105 HG11 VAL 105 -6.089 4.407 0.072 816 HG12 VAL 105 HG12 VAL 105 -6.108 3.510 1.618 817 HG13 VAL 105 HG13 VAL 105 -5.154 2.914 0.223 818 HG21 VAL 105 HG21 VAL 105 -7.845 0.508 0.231 819 HG22 VAL 105 HG22 VAL 105 -6.179 0.790 0.699 820 HG23 VAL 105 HG23 VAL 105 -7.485 1.307 1.783 821 H THR 106 HN THR 106 -8.652 3.265 -2.358 822 HA THR 106 HA THR 106 -8.344 6.177 -2.581 823 HB THR 106 HB THR 106 -8.330 5.747 -5.072 824 HG1 THR 106 HG1 THR 106 -9.250 3.651 -5.070 825 HG21 THR 106 HG21 THR 106 -6.022 5.121 -4.998 826 HG22 THR 106 HG22 THR 106 -6.272 4.235 -3.466 827 HG23 THR 106 HG23 THR 106 -6.331 5.993 -3.493 828 H GLU 107 HN GLU 107 -10.903 4.926 -1.493 829 HA GLU 107 HA GLU 107 -12.855 6.450 -3.079 830 HB2 GLU 107 HB2 GLU 107 -14.470 5.493 -1.489 831 HB3 GLU 107 HB3 GLU 107 -13.483 4.222 -2.206 832 HG2 GLU 107 HG2 GLU 107 -12.016 4.222 -0.145 833 HG3 GLU 107 HG3 GLU 107 -12.984 5.510 0.529 834 H ILE 108 HN ILE 108 -10.520 7.228 -1.032 835 HA ILE 108 HA ILE 108 -12.026 8.976 0.810 836 HB ILE 108 HB ILE 108 -9.074 8.242 0.594 837 HG12 ILE 108 HG12 ILE 108 -11.128 7.505 2.746 838 HG13 ILE 108 HG13 ILE 108 -10.795 6.470 1.373 839 HG21 ILE 108 HG21 ILE 108 -9.213 10.479 1.625 840 HG22 ILE 108 HG22 ILE 108 -10.481 9.914 2.723 841 HG23 ILE 108 HG23 ILE 108 -8.819 9.301 2.860 842 HD11 ILE 108 HD11 ILE 108 -9.561 5.602 3.188 843 HD12 ILE 108 HD12 ILE 108 -8.395 6.315 2.070 844 HD13 ILE 108 HD13 ILE 108 -8.832 7.173 3.563 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -26.192 -5.713 7.134 2 HA2 GLY 1 HA2 GLY 1 -26.287 -4.938 9.472 3 HA3 GLY 1 HA1 GLY 1 -27.431 -6.249 9.783 4 H MET 2 HN MET 2 -24.235 -5.905 8.124 5 HA MET 2 HA MET 2 -23.157 -8.194 9.669 6 HB2 MET 2 HB2 MET 2 -22.913 -7.655 6.676 7 HB3 MET 2 HB3 MET 2 -21.923 -8.804 7.585 8 HG2 MET 2 HG2 MET 2 -23.844 -10.167 8.108 9 HG3 MET 2 HG3 MET 2 -24.944 -8.977 7.399 10 HE1 MET 2 HE1 MET 2 -26.095 -10.906 5.962 11 HE2 MET 2 HE2 MET 2 -25.174 -12.032 4.940 12 HE3 MET 2 HE3 MET 2 -24.966 -12.068 6.700 13 H GLY 3 HN GLY 3 -21.946 -5.907 7.132 14 HA2 GLY 3 HA2 GLY 3 -20.908 -3.906 8.732 15 HA3 GLY 3 HA1 GLY 3 -19.653 -5.155 8.671 16 H THR 4 HN THR 4 -18.334 -5.093 6.946 17 HA THR 4 HA THR 4 -17.259 -4.084 5.195 18 HB THR 4 HB THR 4 -18.234 -4.664 3.040 19 HG1 THR 4 HG1 THR 4 -20.543 -4.577 4.329 20 HG21 THR 4 HG21 THR 4 -18.359 -7.086 3.328 21 HG22 THR 4 HG22 THR 4 -18.678 -6.907 5.049 22 HG23 THR 4 HG23 THR 4 -17.096 -6.426 4.387 23 H THR 5 HN THR 5 -17.804 -1.956 6.511 24 HA THR 5 HA THR 5 -19.276 -0.105 4.693 25 HB THR 5 HB THR 5 -20.645 -1.046 6.520 26 HG1 THR 5 HG1 THR 5 -20.414 1.472 5.716 27 HG21 THR 5 HG21 THR 5 -19.076 -1.135 8.385 28 HG22 THR 5 HG22 THR 5 -20.464 -0.112 8.794 29 HG23 THR 5 HG23 THR 5 -18.919 0.637 8.375 30 H GLU 6 HN GLU 6 -16.415 -0.638 5.231 31 HA GLU 6 HA GLU 6 -14.532 0.612 5.029 32 HB2 GLU 6 HB2 GLU 6 -16.671 2.604 4.162 33 HB3 GLU 6 HB3 GLU 6 -14.958 2.782 3.896 34 HG2 GLU 6 HG2 GLU 6 -14.982 1.407 2.083 35 HG3 GLU 6 HG3 GLU 6 -15.822 0.147 2.962 36 H LYS 7 HN LYS 7 -15.994 0.919 7.545 37 HA LYS 7 HA LYS 7 -15.171 3.419 8.833 38 HB2 LYS 7 HB2 LYS 7 -16.322 0.789 9.798 39 HB3 LYS 7 HB3 LYS 7 -15.526 1.814 10.975 40 HG2 LYS 7 HG2 LYS 7 -17.821 2.763 9.213 41 HG3 LYS 7 HG3 LYS 7 -17.965 2.144 10.869 42 HD2 LYS 7 HD2 LYS 7 -16.195 3.988 11.483 43 HD3 LYS 7 HD3 LYS 7 -16.660 4.718 9.931 44 HE2 LYS 7 HE2 LYS 7 -19.062 4.635 10.688 45 HE3 LYS 7 HE3 LYS 7 -18.521 3.979 12.233 46 HZ1 LYS 7 HZ1 LYS 7 -18.101 6.674 11.165 47 HZ2 LYS 7 HZ2 LYS 7 -17.123 6.086 12.350 48 HZ3 LYS 7 HZ3 LYS 7 -18.751 6.190 12.617 49 H SER 8 HN SER 8 -13.017 3.863 8.800 50 HA SER 8 HA SER 8 -11.592 2.615 10.871 51 HB2 SER 8 HB2 SER 8 -11.078 1.484 8.306 52 HB3 SER 8 HB3 SER 8 -9.640 2.402 8.754 53 HG SER 8 HG SER 8 -9.552 1.260 10.687 54 H GLY 9 HN GLY 9 -9.448 3.725 11.222 55 HA2 GLY 9 HA2 GLY 9 -9.377 6.492 10.086 56 HA3 GLY 9 HA1 GLY 9 -8.858 6.036 11.718 57 H ILE 10 HN ILE 10 -8.178 3.963 8.918 58 HA ILE 10 HA ILE 10 -5.428 3.751 9.545 59 HB ILE 10 HB ILE 10 -7.123 2.935 7.150 60 HG12 ILE 10 HG12 ILE 10 -5.952 1.164 9.327 61 HG13 ILE 10 HG13 ILE 10 -7.515 1.921 9.521 62 HG21 ILE 10 HG21 ILE 10 -4.281 2.053 7.848 63 HG22 ILE 10 HG22 ILE 10 -5.270 1.401 6.522 64 HG23 ILE 10 HG23 ILE 10 -4.737 3.056 6.446 65 HD11 ILE 10 HD11 ILE 10 -8.419 0.805 7.581 66 HD12 ILE 10 HD12 ILE 10 -6.865 0.040 7.234 67 HD13 ILE 10 HD13 ILE 10 -7.753 -0.377 8.707 68 H LYS 11 HN LYS 11 -3.804 5.128 9.038 69 HA LYS 11 HA LYS 11 -3.957 6.692 6.518 70 HB2 LYS 11 HB2 LYS 11 -2.257 7.463 8.900 71 HB3 LYS 11 HB3 LYS 11 -2.627 8.402 7.464 72 HG2 LYS 11 HG2 LYS 11 -4.094 9.425 8.760 73 HG3 LYS 11 HG3 LYS 11 -5.157 8.079 8.379 74 HD2 LYS 11 HD2 LYS 11 -4.328 6.972 10.503 75 HD3 LYS 11 HD3 LYS 11 -3.369 8.404 10.861 76 HE2 LYS 11 HE2 LYS 11 -6.279 8.800 10.175 77 HE3 LYS 11 HE3 LYS 11 -5.931 8.062 11.732 78 HZ1 LYS 11 HZ1 LYS 11 -4.752 9.922 12.428 79 HZ2 LYS 11 HZ2 LYS 11 -6.072 10.573 11.694 80 HZ3 LYS 11 HZ3 LYS 11 -4.650 10.595 10.908 81 H GLU 12 HN GLU 12 -2.784 3.921 7.055 82 HA GLU 12 HA GLU 12 -0.557 4.380 5.293 83 HB2 GLU 12 HB2 GLU 12 0.610 4.668 7.465 84 HB3 GLU 12 HB3 GLU 12 -0.010 3.111 8.026 85 HG2 GLU 12 HG2 GLU 12 1.330 1.951 6.298 86 HG3 GLU 12 HG3 GLU 12 1.912 3.501 5.692 87 H ILE 13 HN ILE 13 -0.201 2.468 4.014 88 HA ILE 13 HA ILE 13 -1.652 0.022 4.831 89 HB ILE 13 HB ILE 13 -2.341 -0.304 2.469 90 HG12 ILE 13 HG12 ILE 13 -1.873 2.602 1.830 91 HG13 ILE 13 HG13 ILE 13 -0.498 1.509 1.782 92 HG21 ILE 13 HG21 ILE 13 -3.915 0.673 4.137 93 HG22 ILE 13 HG22 ILE 13 -3.458 2.299 3.608 94 HG23 ILE 13 HG23 ILE 13 -4.243 1.182 2.479 95 HD11 ILE 13 HD11 ILE 13 -1.580 0.013 0.245 96 HD12 ILE 13 HD12 ILE 13 -3.039 1.049 0.244 97 HD13 ILE 13 HD13 ILE 13 -1.501 1.661 -0.418 98 H ILE 14 HN ILE 14 -0.790 -1.853 3.416 99 HA ILE 14 HA ILE 14 2.086 -1.471 2.853 100 HB ILE 14 HB ILE 14 0.873 -3.537 4.731 101 HG12 ILE 14 HG12 ILE 14 2.897 -1.326 5.254 102 HG13 ILE 14 HG13 ILE 14 1.211 -1.343 5.773 103 HG21 ILE 14 HG21 ILE 14 3.246 -4.400 4.953 104 HG22 ILE 14 HG22 ILE 14 2.508 -4.691 3.393 105 HG23 ILE 14 HG23 ILE 14 3.674 -3.368 3.561 106 HD11 ILE 14 HD11 ILE 14 3.402 -3.130 6.811 107 HD12 ILE 14 HD12 ILE 14 2.431 -1.929 7.671 108 HD13 ILE 14 HD13 ILE 14 1.665 -3.419 7.106 109 H ILE 15 HN ILE 15 2.473 -2.147 0.888 110 HA ILE 15 HA ILE 15 0.654 -4.015 -0.489 111 HB ILE 15 HB ILE 15 3.346 -2.917 -1.367 112 HG12 ILE 15 HG12 ILE 15 2.095 -0.994 -1.188 113 HG13 ILE 15 HG13 ILE 15 2.028 -1.453 -2.885 114 HG21 ILE 15 HG21 ILE 15 2.471 -3.571 -3.667 115 HG22 ILE 15 HG22 ILE 15 2.832 -4.929 -2.596 116 HG23 ILE 15 HG23 ILE 15 1.156 -4.431 -2.828 117 HD11 ILE 15 HD11 ILE 15 -0.291 -2.416 -2.443 118 HD12 ILE 15 HD12 ILE 15 -0.178 -1.712 -0.815 119 HD13 ILE 15 HD13 ILE 15 -0.151 -0.659 -2.231 120 H GLN 16 HN GLN 16 0.710 -5.949 0.746 121 HA GLN 16 HA GLN 16 3.186 -7.085 1.464 122 HB2 GLN 16 HB2 GLN 16 0.817 -7.822 2.325 123 HB3 GLN 16 HB3 GLN 16 0.820 -8.880 0.917 124 HG2 GLN 16 HG2 GLN 16 2.905 -9.847 1.561 125 HG3 GLN 16 HG3 GLN 16 3.109 -8.702 2.872 126 HE21 GLN 16 HE21 GLN 16 2.848 -9.478 4.850 127 HE22 GLN 16 HE22 GLN 16 1.895 -10.841 5.282 128 H GLY 17 HN GLY 17 4.703 -7.389 -0.026 129 HA2 GLY 17 HA2 GLY 17 4.187 -8.507 -2.657 130 HA3 GLY 17 HA1 GLY 17 5.764 -8.369 -1.954 131 H LEU 18 HN LEU 18 3.065 -10.152 -0.421 132 HA LEU 18 HA LEU 18 4.151 -12.767 -1.183 133 HB2 LEU 18 HB2 LEU 18 3.335 -11.868 1.315 134 HB3 LEU 18 HB3 LEU 18 1.787 -12.370 0.643 135 HG LEU 18 HG LEU 18 2.908 -14.642 0.236 136 HD11 LEU 18 HD11 LEU 18 5.016 -15.068 1.471 137 HD12 LEU 18 HD12 LEU 18 5.077 -13.376 1.989 138 HD13 LEU 18 HD13 LEU 18 5.288 -13.778 0.287 139 HD21 LEU 18 HD21 LEU 18 1.447 -14.147 2.147 140 HD22 LEU 18 HD22 LEU 18 2.768 -13.388 3.006 141 HD23 LEU 18 HD23 LEU 18 2.808 -15.159 2.718 142 H THR 19 HN THR 19 2.705 -13.990 -2.550 143 HA THR 19 HA THR 19 0.745 -12.404 -3.971 144 HB THR 19 HB THR 19 0.323 -14.560 -5.158 145 HG1 THR 19 HG1 THR 19 1.843 -16.264 -4.629 146 HG21 THR 19 HG21 THR 19 3.314 -14.076 -4.873 147 HG22 THR 19 HG22 THR 19 2.207 -13.009 -5.797 148 HG23 THR 19 HG23 THR 19 2.429 -14.690 -6.278 149 H ARG 20 HN ARG 20 -1.577 -13.317 -4.263 150 HA ARG 20 HA ARG 20 -2.986 -13.606 -1.847 151 HB2 ARG 20 HB2 ARG 20 -4.807 -14.171 -3.207 152 HB3 ARG 20 HB3 ARG 20 -3.896 -12.973 -4.089 153 HG2 ARG 20 HG2 ARG 20 -3.722 -15.967 -4.581 154 HG3 ARG 20 HG3 ARG 20 -4.897 -14.920 -5.362 155 HD2 ARG 20 HD2 ARG 20 -2.506 -13.669 -5.868 156 HD3 ARG 20 HD3 ARG 20 -2.010 -15.349 -5.893 157 HE ARG 20 HE ARG 20 -4.064 -14.060 -7.650 158 HH11 ARG 20 HH11 ARG 20 -1.873 -16.796 -7.248 159 HH12 ARG 20 HH12 ARG 20 -2.881 -17.891 -8.152 160 HH21 ARG 20 HH21 ARG 20 -4.960 -15.206 -9.313 161 HH22 ARG 20 HH22 ARG 20 -4.521 -16.854 -9.657 162 H ALA 21 HN ALA 21 -1.195 -15.916 -3.664 163 HA ALA 21 HA ALA 21 -2.349 -18.300 -2.452 164 HB1 ALA 21 HB1 ALA 21 -0.656 -19.516 -3.733 165 HB2 ALA 21 HB2 ALA 21 -1.472 -18.336 -4.768 166 HB3 ALA 21 HB3 ALA 21 0.165 -18.000 -4.146 167 H GLY 22 HN GLY 22 -0.269 -15.938 -1.236 168 HA2 GLY 22 HA2 GLY 22 0.908 -15.837 0.682 169 HA3 GLY 22 HA1 GLY 22 0.441 -17.487 1.061 170 H LYS 23 HN LYS 23 2.261 -16.513 -1.924 171 HA LYS 23 HA LYS 23 4.698 -17.704 -0.725 172 HB2 LYS 23 HB2 LYS 23 3.430 -18.069 -3.470 173 HB3 LYS 23 HB3 LYS 23 5.178 -18.041 -3.316 174 HG2 LYS 23 HG2 LYS 23 4.802 -20.311 -3.019 175 HG3 LYS 23 HG3 LYS 23 4.828 -19.717 -1.358 176 HD2 LYS 23 HD2 LYS 23 2.258 -19.625 -1.540 177 HD3 LYS 23 HD3 LYS 23 2.432 -20.616 -2.985 178 HE2 LYS 23 HE2 LYS 23 3.506 -21.294 -0.194 179 HE3 LYS 23 HE3 LYS 23 1.980 -21.881 -0.847 180 HZ1 LYS 23 HZ1 LYS 23 4.642 -22.506 -1.981 181 HZ2 LYS 23 HZ2 LYS 23 3.174 -23.110 -2.507 182 HZ3 LYS 23 HZ3 LYS 23 3.751 -23.483 -1.035 183 HA PRO 24 HA PRO 24 6.468 -13.791 -1.434 184 HB2 PRO 24 HB2 PRO 24 9.114 -14.293 -1.910 185 HB3 PRO 24 HB3 PRO 24 8.340 -14.516 -0.309 186 HG2 PRO 24 HG2 PRO 24 8.884 -16.616 -2.430 187 HG3 PRO 24 HG3 PRO 24 9.216 -16.692 -0.672 188 HD2 PRO 24 HD2 PRO 24 6.992 -17.826 -1.774 189 HD3 PRO 24 HD3 PRO 24 6.937 -17.050 -0.168 190 H PHE 25 HN PHE 25 6.513 -12.433 -3.046 191 HA PHE 25 HA PHE 25 6.411 -13.357 -5.793 192 HB2 PHE 25 HB2 PHE 25 5.124 -11.465 -4.879 193 HB3 PHE 25 HB3 PHE 25 6.607 -10.564 -4.602 194 HD1 PHE 25 HD2 PHE 25 4.779 -12.425 -7.349 195 HD2 PHE 25 HD1 PHE 25 7.145 -8.956 -6.314 196 HE1 PHE 25 HE2 PHE 25 4.579 -11.587 -9.667 197 HE2 PHE 25 HE1 PHE 25 6.904 -8.116 -8.626 198 HZ PHE 25 HZ PHE 25 5.680 -9.457 -10.320 199 H ARG 26 HN ARG 26 7.960 -12.724 -7.485 200 HA ARG 26 HA ARG 26 10.630 -11.817 -6.573 201 HB2 ARG 26 HB2 ARG 26 9.973 -13.699 -8.856 202 HB3 ARG 26 HB3 ARG 26 11.499 -12.920 -8.721 203 HG2 ARG 26 HG2 ARG 26 10.557 -14.666 -6.432 204 HG3 ARG 26 HG3 ARG 26 11.241 -15.373 -7.902 205 HD2 ARG 26 HD2 ARG 26 13.269 -13.969 -7.665 206 HD3 ARG 26 HD3 ARG 26 12.643 -13.303 -6.155 207 HE ARG 26 HE ARG 26 13.555 -16.074 -6.730 208 HH11 ARG 26 HH11 ARG 26 12.473 -13.747 -4.306 209 HH12 ARG 26 HH12 ARG 26 12.676 -14.767 -2.936 210 HH21 ARG 26 HH21 ARG 26 14.263 -17.333 -4.939 211 HH22 ARG 26 HH22 ARG 26 13.854 -16.858 -3.309 212 HA PRO 27 HA PRO 27 12.403 -11.031 -8.057 213 HB2 PRO 27 HB2 PRO 27 13.447 -8.474 -8.255 214 HB3 PRO 27 HB3 PRO 27 13.114 -9.453 -9.713 215 HG2 PRO 27 HG2 PRO 27 11.322 -7.355 -8.463 216 HG3 PRO 27 HG3 PRO 27 11.843 -7.493 -10.167 217 HD2 PRO 27 HD2 PRO 27 9.467 -8.517 -9.366 218 HD3 PRO 27 HD3 PRO 27 10.504 -9.410 -10.529 219 H SER 28 HN SER 28 13.523 -10.542 -5.940 220 HA SER 28 HA SER 28 11.920 -9.351 -3.854 221 HB2 SER 28 HB2 SER 28 14.901 -9.942 -4.075 222 HB3 SER 28 HB3 SER 28 14.119 -9.308 -2.613 223 HG SER 28 HG SER 28 14.216 -11.521 -2.457 224 H ASP 29 HN ASP 29 14.117 -8.057 -6.258 225 HA ASP 29 HA ASP 29 14.653 -5.542 -5.154 226 HB2 ASP 29 HB2 ASP 29 14.332 -6.126 -8.120 227 HB3 ASP 29 HB3 ASP 29 15.355 -4.918 -7.345 228 H TRP 30 HN TRP 30 11.561 -6.684 -6.151 229 HA TRP 30 HA TRP 30 10.497 -4.579 -7.622 230 HB2 TRP 30 HB2 TRP 30 8.388 -5.430 -7.200 231 HB3 TRP 30 HB3 TRP 30 9.412 -6.834 -7.117 232 HD1 TRP 30 HD1 TRP 30 9.199 -8.272 -4.884 233 HE1 TRP 30 HE1 TRP 30 7.907 -8.125 -2.767 234 HE3 TRP 30 HE3 TRP 30 7.269 -3.579 -5.522 235 HZ2 TRP 30 HZ2 TRP 30 5.966 -6.224 -1.514 236 HZ3 TRP 30 HZ3 TRP 30 5.725 -2.641 -3.837 237 HH2 TRP 30 HH2 TRP 30 5.110 -3.973 -1.821 238 H VAL 31 HN VAL 31 10.953 -4.813 -4.148 239 HA VAL 31 HA VAL 31 9.256 -2.687 -3.340 240 HB VAL 31 HB VAL 31 11.730 -3.940 -2.065 241 HG11 VAL 31 HG11 VAL 31 9.602 -2.204 -0.755 242 HG12 VAL 31 HG12 VAL 31 10.929 -3.068 0.070 243 HG13 VAL 31 HG13 VAL 31 11.287 -1.737 -1.054 244 HG21 VAL 31 HG21 VAL 31 9.936 -5.061 -0.667 245 HG22 VAL 31 HG22 VAL 31 8.743 -4.437 -1.804 246 HG23 VAL 31 HG23 VAL 31 9.991 -5.592 -2.361 247 H ASP 32 HN ASP 32 12.817 -2.724 -4.012 248 HA ASP 32 HA ASP 32 13.076 0.101 -3.431 249 HB2 ASP 32 HB2 ASP 32 14.864 -2.016 -4.583 250 HB3 ASP 32 HB3 ASP 32 15.285 -0.325 -4.824 251 H ARG 33 HN ARG 33 12.560 -1.875 -6.348 252 HA ARG 33 HA ARG 33 12.834 0.182 -8.274 253 HB2 ARG 33 HB2 ARG 33 11.162 -2.351 -8.187 254 HB3 ARG 33 HB3 ARG 33 10.946 -1.169 -9.475 255 HG2 ARG 33 HG2 ARG 33 13.430 -1.296 -9.919 256 HG3 ARG 33 HG3 ARG 33 13.497 -2.698 -8.848 257 HD2 ARG 33 HD2 ARG 33 12.214 -4.031 -10.289 258 HD3 ARG 33 HD3 ARG 33 11.396 -2.654 -11.016 259 HE ARG 33 HE ARG 33 14.245 -3.394 -11.613 260 HH11 ARG 33 HH11 ARG 33 11.210 -1.859 -12.781 261 HH12 ARG 33 HH12 ARG 33 11.633 -2.031 -14.427 262 HH21 ARG 33 HH21 ARG 33 14.907 -3.249 -13.707 263 HH22 ARG 33 HH22 ARG 33 13.895 -2.544 -14.938 264 H MET 34 HN MET 34 9.900 -0.658 -6.310 265 HA MET 34 HA MET 34 8.376 1.477 -7.509 266 HB2 MET 34 HB2 MET 34 8.040 0.089 -4.818 267 HB3 MET 34 HB3 MET 34 6.882 1.232 -5.538 268 HG2 MET 34 HG2 MET 34 7.744 -1.425 -6.722 269 HG3 MET 34 HG3 MET 34 6.229 -1.121 -5.920 270 HE1 MET 34 HE1 MET 34 4.154 -0.253 -7.043 271 HE2 MET 34 HE2 MET 34 4.854 1.391 -7.036 272 HE3 MET 34 HE3 MET 34 4.108 0.736 -8.514 273 H CYS 35 HN CYS 35 10.307 1.282 -4.464 274 HA CYS 35 HA CYS 35 9.637 3.818 -3.424 275 HB2 CYS 35 HB2 CYS 35 12.312 2.346 -3.261 276 HB3 CYS 35 HB3 CYS 35 11.846 3.736 -2.283 277 HG CYS 35 HG CYS 35 10.372 0.789 -2.459 278 H SER 36 HN SER 36 12.326 2.951 -5.655 279 HA SER 36 HA SER 36 13.518 5.492 -5.724 280 HB2 SER 36 HB2 SER 36 14.912 4.466 -7.349 281 HB3 SER 36 HB3 SER 36 14.368 3.176 -6.274 282 HG SER 36 HG SER 36 13.787 3.560 -8.941 283 H THR 37 HN THR 37 11.379 3.915 -7.941 284 HA THR 37 HA THR 37 11.068 5.846 -9.930 285 HB THR 37 HB THR 37 8.806 4.099 -8.834 286 HG1 THR 37 HG1 THR 37 10.428 2.776 -9.398 287 HG21 THR 37 HG21 THR 37 8.145 4.193 -11.347 288 HG22 THR 37 HG22 THR 37 9.209 5.586 -11.447 289 HG23 THR 37 HG23 THR 37 7.787 5.604 -10.360 290 H TYR 38 HN TYR 38 9.546 5.936 -6.724 291 HA TYR 38 HA TYR 38 7.917 8.308 -7.458 292 HB2 TYR 38 HB2 TYR 38 8.040 6.417 -5.092 293 HB3 TYR 38 HB3 TYR 38 7.160 7.926 -5.012 294 HD1 TYR 38 HD2 TYR 38 7.374 5.059 -7.536 295 HD2 TYR 38 HD1 TYR 38 4.866 7.678 -5.191 296 HE1 TYR 38 HE2 TYR 38 5.414 4.090 -8.602 297 HE2 TYR 38 HE1 TYR 38 2.887 6.639 -6.169 298 HH TYR 38 HH TYR 38 2.053 5.062 -7.725 299 H ALA 39 HN ALA 39 11.065 7.797 -6.424 300 HA ALA 39 HA ALA 39 11.205 9.881 -4.363 301 HB1 ALA 39 HB1 ALA 39 12.415 7.692 -4.189 302 HB2 ALA 39 HB2 ALA 39 13.331 8.103 -5.643 303 HB3 ALA 39 HB3 ALA 39 13.524 9.078 -4.183 304 H SER 40 HN SER 40 13.539 11.120 -4.841 305 HA SER 40 HA SER 40 14.100 11.836 -7.584 306 HB2 SER 40 HB2 SER 40 12.820 13.887 -5.730 307 HB3 SER 40 HB3 SER 40 13.729 14.298 -7.197 308 HG SER 40 HG SER 40 11.712 12.399 -7.467 309 H PHE 41 HN PHE 41 15.947 13.335 -7.591 310 HA PHE 41 HA PHE 41 17.900 12.586 -5.619 311 HB2 PHE 41 HB2 PHE 41 17.709 14.391 -8.018 312 HB3 PHE 41 HB3 PHE 41 19.093 14.547 -6.903 313 HD1 PHE 41 HD1 PHE 41 18.228 11.067 -6.986 314 HD2 PHE 41 HD2 PHE 41 20.071 14.132 -9.406 315 HE1 PHE 41 HE1 PHE 41 19.563 9.369 -8.096 316 HE2 PHE 41 HE2 PHE 41 21.382 12.388 -10.564 317 HZ PHE 41 HZ PHE 41 21.157 9.969 -9.847 318 H GLY 42 HN GLY 42 18.685 13.656 -3.926 319 HA2 GLY 42 HA2 GLY 42 17.165 16.002 -2.957 320 HA3 GLY 42 HA1 GLY 42 18.278 14.952 -2.058 321 H ALA 43 HN ALA 43 18.338 17.103 -4.883 322 HA ALA 43 HA ALA 43 19.744 18.636 -5.708 323 HB1 ALA 43 HB1 ALA 43 19.018 19.815 -3.652 324 HB2 ALA 43 HB2 ALA 43 20.394 19.136 -2.761 325 HB3 ALA 43 HB3 ALA 43 20.655 20.274 -4.092 326 H ASP 44 HN ASP 44 21.308 15.999 -4.249 327 HA ASP 44 HA ASP 44 23.965 17.005 -5.105 328 HB2 ASP 44 HB2 ASP 44 23.288 17.063 -2.581 329 HB3 ASP 44 HB3 ASP 44 23.497 15.315 -2.630 330 H ARG 45 HN ARG 45 22.118 15.205 -6.472 331 HA ARG 45 HA ARG 45 21.896 13.179 -7.470 332 HB2 ARG 45 HB2 ARG 45 24.917 13.289 -7.653 333 HB3 ARG 45 HB3 ARG 45 23.870 12.191 -8.524 334 HG2 ARG 45 HG2 ARG 45 24.170 13.736 -10.150 335 HG3 ARG 45 HG3 ARG 45 22.658 14.298 -9.454 336 HD2 ARG 45 HD2 ARG 45 24.160 16.166 -9.927 337 HD3 ARG 45 HD3 ARG 45 23.884 16.030 -8.184 338 HE ARG 45 HE ARG 45 26.244 14.595 -9.190 339 HH11 ARG 45 HH11 ARG 45 25.145 17.792 -8.161 340 HH12 ARG 45 HH12 ARG 45 26.560 18.186 -7.259 341 HH21 ARG 45 HH21 ARG 45 28.155 15.086 -8.002 342 HH22 ARG 45 HH22 ARG 45 28.265 16.556 -7.089 343 H LYS 46 HN LYS 46 21.603 12.931 -4.705 344 HA LYS 46 HA LYS 46 22.025 10.001 -4.808 345 HB2 LYS 46 HB2 LYS 46 22.801 11.671 -2.625 346 HB3 LYS 46 HB3 LYS 46 21.220 11.078 -2.192 347 HG2 LYS 46 HG2 LYS 46 22.200 9.253 -1.395 348 HG3 LYS 46 HG3 LYS 46 22.452 8.734 -3.069 349 HD2 LYS 46 HD2 LYS 46 24.675 9.873 -3.059 350 HD3 LYS 46 HD3 LYS 46 24.368 10.426 -1.409 351 HE2 LYS 46 HE2 LYS 46 24.064 7.933 -0.799 352 HE3 LYS 46 HE3 LYS 46 24.804 7.576 -2.372 353 HZ1 LYS 46 HZ1 LYS 46 26.742 8.862 -1.647 354 HZ2 LYS 46 HZ2 LYS 46 26.436 7.651 -0.589 355 HZ3 LYS 46 HZ3 LYS 46 26.019 9.189 -0.203 356 H LEU 47 HN LEU 47 20.198 8.979 -5.099 357 HA LEU 47 HA LEU 47 17.625 10.274 -5.160 358 HB2 LEU 47 HB2 LEU 47 18.745 7.548 -5.438 359 HB3 LEU 47 HB3 LEU 47 17.225 7.547 -4.538 360 HG LEU 47 HG LEU 47 17.742 8.460 -7.377 361 HD11 LEU 47 HD11 LEU 47 15.827 6.414 -6.218 362 HD12 LEU 47 HD12 LEU 47 17.425 6.045 -6.914 363 HD13 LEU 47 HD13 LEU 47 16.148 6.735 -7.938 364 HD21 LEU 47 HD21 LEU 47 15.400 9.113 -5.626 365 HD22 LEU 47 HD22 LEU 47 15.159 8.844 -7.376 366 HD23 LEU 47 HD23 LEU 47 16.249 10.105 -6.822 367 H ARG 48 HN ARG 48 16.016 10.440 -3.646 368 HA ARG 48 HA ARG 48 16.616 9.553 -0.893 369 HB2 ARG 48 HB2 ARG 48 16.835 12.199 -1.725 370 HB3 ARG 48 HB3 ARG 48 15.195 12.159 -1.104 371 HG2 ARG 48 HG2 ARG 48 17.609 11.155 0.460 372 HG3 ARG 48 HG3 ARG 48 17.058 12.833 0.491 373 HD2 ARG 48 HD2 ARG 48 14.885 12.125 1.361 374 HD3 ARG 48 HD3 ARG 48 15.415 10.435 1.381 375 HE ARG 48 HE ARG 48 17.321 11.865 2.856 376 HH11 ARG 48 HH11 ARG 48 13.788 11.454 3.107 377 HH12 ARG 48 HH12 ARG 48 13.725 11.603 4.803 378 HH21 ARG 48 HH21 ARG 48 17.223 12.190 5.210 379 HH22 ARG 48 HH22 ARG 48 15.717 11.904 6.013 380 H TYR 49 HN TYR 49 15.166 7.951 -0.654 381 HA TYR 49 HA TYR 49 12.632 7.839 -2.028 382 HB2 TYR 49 HB2 TYR 49 13.544 6.430 0.508 383 HB3 TYR 49 HB3 TYR 49 12.076 6.063 -0.389 384 HD1 TYR 49 HD2 TYR 49 14.099 6.606 -3.099 385 HD2 TYR 49 HD1 TYR 49 13.737 3.878 0.221 386 HE1 TYR 49 HE2 TYR 49 15.281 4.876 -4.394 387 HE2 TYR 49 HE1 TYR 49 14.873 2.115 -1.106 388 HH TYR 49 HH TYR 49 15.806 1.556 -3.153 389 H SER 50 HN SER 50 10.610 8.406 -1.382 390 HA SER 50 HA SER 50 10.343 10.702 0.323 391 HB2 SER 50 HB2 SER 50 8.242 8.763 -0.764 392 HB3 SER 50 HB3 SER 50 7.907 10.361 -0.077 393 HG SER 50 HG SER 50 9.313 11.216 -1.722 394 HA PRO 51 HA PRO 51 9.975 8.778 4.281 395 HB2 PRO 51 HB2 PRO 51 8.222 10.414 5.608 396 HB3 PRO 51 HB3 PRO 51 9.899 10.897 5.210 397 HG2 PRO 51 HG2 PRO 51 7.358 11.553 3.684 398 HG3 PRO 51 HG3 PRO 51 8.678 12.666 4.154 399 HD2 PRO 51 HD2 PRO 51 8.549 11.604 1.682 400 HD3 PRO 51 HD3 PRO 51 10.113 11.843 2.515 401 H TYR 52 HN TYR 52 7.130 9.437 2.326 402 HA TYR 52 HA TYR 52 5.314 7.805 3.785 403 HB2 TYR 52 HB2 TYR 52 5.136 8.758 0.905 404 HB3 TYR 52 HB3 TYR 52 3.786 8.321 1.948 405 HD1 TYR 52 HD1 TYR 52 4.323 9.669 4.491 406 HD2 TYR 52 HD2 TYR 52 4.990 11.117 0.461 407 HE1 TYR 52 HE1 TYR 52 4.440 11.931 5.341 408 HE2 TYR 52 HE2 TYR 52 5.076 13.427 1.333 409 HH TYR 52 HH TYR 52 5.354 14.090 4.784 410 H LEU 53 HN LEU 53 7.949 6.726 2.111 411 HA LEU 53 HA LEU 53 6.596 4.296 1.123 412 HB2 LEU 53 HB2 LEU 53 7.657 6.643 -0.321 413 HB3 LEU 53 HB3 LEU 53 8.220 5.098 -0.977 414 HG LEU 53 HG LEU 53 5.281 5.778 -0.515 415 HD11 LEU 53 HD11 LEU 53 5.185 6.108 -2.967 416 HD12 LEU 53 HD12 LEU 53 6.950 5.930 -3.047 417 HD13 LEU 53 HD13 LEU 53 6.225 7.303 -2.175 418 HD21 LEU 53 HD21 LEU 53 6.644 3.544 -2.079 419 HD22 LEU 53 HD22 LEU 53 4.898 3.854 -2.030 420 HD23 LEU 53 HD23 LEU 53 5.739 3.343 -0.572 421 H LYS 54 HN LYS 54 7.664 3.108 2.689 422 HA LYS 54 HA LYS 54 10.645 3.190 2.509 423 HB2 LYS 54 HB2 LYS 54 8.832 3.149 4.907 424 HB3 LYS 54 HB3 LYS 54 10.169 2.029 4.941 425 HG2 LYS 54 HG2 LYS 54 11.601 4.189 4.199 426 HG3 LYS 54 HG3 LYS 54 10.232 5.036 4.911 427 HD2 LYS 54 HD2 LYS 54 11.847 4.747 6.681 428 HD3 LYS 54 HD3 LYS 54 10.562 3.579 6.992 429 HE2 LYS 54 HE2 LYS 54 12.600 2.377 7.316 430 HE3 LYS 54 HE3 LYS 54 11.983 1.829 5.755 431 HZ1 LYS 54 HZ1 LYS 54 13.521 3.598 4.793 432 HZ2 LYS 54 HZ2 LYS 54 14.296 2.325 5.487 433 HZ3 LYS 54 HZ3 LYS 54 14.155 3.747 6.280 434 HA PRO 55 HA PRO 55 10.244 -1.277 1.890 435 HB2 PRO 55 HB2 PRO 55 12.860 -1.977 2.263 436 HB3 PRO 55 HB3 PRO 55 12.289 -1.148 0.777 437 HG2 PRO 55 HG2 PRO 55 13.655 0.098 3.171 438 HG3 PRO 55 HG3 PRO 55 13.986 0.357 1.421 439 HD2 PRO 55 HD2 PRO 55 12.416 2.031 2.918 440 HD3 PRO 55 HD3 PRO 55 12.159 1.764 1.173 441 H ARG 56 HN ARG 56 10.392 -3.071 3.355 442 HA ARG 56 HA ARG 56 11.341 -2.682 6.084 443 HB2 ARG 56 HB2 ARG 56 8.482 -3.369 5.266 444 HB3 ARG 56 HB3 ARG 56 9.154 -3.990 6.758 445 HG2 ARG 56 HG2 ARG 56 9.816 -1.707 7.470 446 HG3 ARG 56 HG3 ARG 56 8.957 -1.085 6.026 447 HD2 ARG 56 HD2 ARG 56 7.008 -2.573 7.066 448 HD3 ARG 56 HD3 ARG 56 7.887 -2.308 8.557 449 HE ARG 56 HE ARG 56 7.692 0.202 7.406 450 HH11 ARG 56 HH11 ARG 56 5.386 -2.205 8.664 451 HH12 ARG 56 HH12 ARG 56 4.129 -1.035 8.940 452 HH21 ARG 56 HH21 ARG 56 5.936 1.720 7.649 453 HH22 ARG 56 HH22 ARG 56 4.401 1.205 8.245 454 H VAL 57 HN VAL 57 10.876 -5.244 6.977 455 HA VAL 57 HA VAL 57 10.123 -7.012 5.030 456 HB VAL 57 HB VAL 57 12.334 -7.092 4.581 457 HG11 VAL 57 HG11 VAL 57 14.155 -7.832 5.913 458 HG12 VAL 57 HG12 VAL 57 13.501 -6.247 6.307 459 HG13 VAL 57 HG13 VAL 57 13.132 -7.659 7.370 460 HG21 VAL 57 HG21 VAL 57 11.142 -9.296 4.523 461 HG22 VAL 57 HG22 VAL 57 12.890 -9.477 4.742 462 HG23 VAL 57 HG23 VAL 57 11.823 -9.645 6.133 463 H ILE 58 HN ILE 58 8.837 -8.704 5.968 464 HA ILE 58 HA ILE 58 8.779 -8.741 8.955 465 HB ILE 58 HB ILE 58 6.386 -8.929 7.040 466 HG12 ILE 58 HG12 ILE 58 5.734 -6.788 8.365 467 HG13 ILE 58 HG13 ILE 58 7.447 -6.599 8.707 468 HG21 ILE 58 HG21 ILE 58 5.085 -8.849 9.102 469 HG22 ILE 58 HG22 ILE 58 6.184 -10.254 9.084 470 HG23 ILE 58 HG23 ILE 58 6.590 -8.820 10.054 471 HD11 ILE 58 HD11 ILE 58 7.857 -6.252 6.296 472 HD12 ILE 58 HD12 ILE 58 6.244 -6.843 5.882 473 HD13 ILE 58 HD13 ILE 58 6.476 -5.268 6.744 474 H GLU 59 HN GLU 59 9.720 -10.702 9.409 475 HA GLU 59 HA GLU 59 10.289 -12.855 9.341 476 HB2 GLU 59 HB2 GLU 59 7.550 -13.227 8.042 477 HB3 GLU 59 HB3 GLU 59 8.473 -14.428 8.939 478 HG2 GLU 59 HG2 GLU 59 8.327 -13.081 10.983 479 HG3 GLU 59 HG3 GLU 59 7.402 -11.849 10.135 480 H GLY 60 HN GLY 60 10.174 -11.344 6.486 481 HA2 GLY 60 HA2 GLY 60 12.012 -12.409 4.850 482 HA3 GLY 60 HA1 GLY 60 10.729 -13.627 4.708 483 H VAL 61 HN VAL 61 8.583 -11.398 5.058 484 HA VAL 61 HA VAL 61 8.490 -10.814 2.217 485 HB VAL 61 HB VAL 61 6.615 -11.684 3.401 486 HG11 VAL 61 HG11 VAL 61 4.932 -10.200 4.283 487 HG12 VAL 61 HG12 VAL 61 6.298 -10.567 5.322 488 HG13 VAL 61 HG13 VAL 61 6.213 -8.997 4.512 489 HG21 VAL 61 HG21 VAL 61 6.529 -10.886 1.126 490 HG22 VAL 61 HG22 VAL 61 5.032 -10.478 1.987 491 HG23 VAL 61 HG23 VAL 61 6.256 -9.217 1.713 492 H ARG 62 HN ARG 62 9.962 -9.357 1.722 493 HA ARG 62 HA ARG 62 10.995 -7.146 2.995 494 HB2 ARG 62 HB2 ARG 62 10.029 -7.129 0.080 495 HB3 ARG 62 HB3 ARG 62 11.285 -6.136 0.777 496 HG2 ARG 62 HG2 ARG 62 12.806 -7.619 0.311 497 HG3 ARG 62 HG3 ARG 62 12.021 -8.868 1.259 498 HD2 ARG 62 HD2 ARG 62 11.767 -8.247 -1.701 499 HD3 ARG 62 HD3 ARG 62 12.389 -9.716 -0.946 500 HE ARG 62 HE ARG 62 9.531 -9.044 -0.534 501 HH11 ARG 62 HH11 ARG 62 11.820 -11.124 -2.427 502 HH12 ARG 62 HH12 ARG 62 10.509 -11.873 -3.270 503 HH21 ARG 62 HH21 ARG 62 7.891 -10.373 -1.559 504 HH22 ARG 62 HH22 ARG 62 8.430 -11.455 -2.813 505 H CYS 63 HN CYS 63 8.002 -7.149 1.062 506 HA CYS 63 HA CYS 63 6.143 -5.752 1.014 507 HB2 CYS 63 HB2 CYS 63 6.921 -5.831 3.914 508 HB3 CYS 63 HB3 CYS 63 5.621 -4.722 3.407 509 HG CYS 63 HG CYS 63 4.664 -6.966 4.364 510 H LEU 64 HN LEU 64 5.326 -3.395 1.551 511 HA LEU 64 HA LEU 64 7.468 -1.397 1.357 512 HB2 LEU 64 HB2 LEU 64 7.109 -2.018 -0.983 513 HB3 LEU 64 HB3 LEU 64 5.358 -1.916 -0.781 514 HG LEU 64 HG LEU 64 5.449 0.497 -0.482 515 HD11 LEU 64 HD11 LEU 64 7.512 0.927 0.624 516 HD12 LEU 64 HD12 LEU 64 7.663 1.690 -0.943 517 HD13 LEU 64 HD13 LEU 64 8.466 0.132 -0.652 518 HD21 LEU 64 HD21 LEU 64 5.297 -0.424 -2.754 519 HD22 LEU 64 HD22 LEU 64 7.071 -0.469 -2.866 520 HD23 LEU 64 HD23 LEU 64 6.218 1.089 -2.760 521 H ALA 65 HN ALA 65 6.815 0.045 2.838 522 HA ALA 65 HA ALA 65 4.045 0.178 3.851 523 HB1 ALA 65 HB1 ALA 65 6.060 0.419 5.339 524 HB2 ALA 65 HB2 ALA 65 6.538 1.854 4.432 525 HB3 ALA 65 HB3 ALA 65 5.013 1.876 5.343 526 H VAL 66 HN VAL 66 2.585 1.787 3.209 527 HA VAL 66 HA VAL 66 3.574 3.960 1.461 528 HB VAL 66 HB VAL 66 1.028 2.505 0.858 529 HG11 VAL 66 HG11 VAL 66 1.395 4.859 0.062 530 HG12 VAL 66 HG12 VAL 66 2.827 4.292 -0.805 531 HG13 VAL 66 HG13 VAL 66 1.204 3.663 -1.235 532 HG21 VAL 66 HG21 VAL 66 2.165 1.345 -0.931 533 HG22 VAL 66 HG22 VAL 66 3.731 2.030 -0.397 534 HG23 VAL 66 HG23 VAL 66 2.838 0.853 0.604 535 H ASP 67 HN ASP 67 3.372 5.476 2.974 536 HA ASP 67 HA ASP 67 1.203 5.651 4.958 537 HB2 ASP 67 HB2 ASP 67 3.585 6.571 5.257 538 HB3 ASP 67 HB3 ASP 67 3.108 7.846 4.143 539 H LEU 68 HN LEU 68 -0.668 6.926 4.795 540 HA LEU 68 HA LEU 68 -1.593 7.366 2.119 541 HB2 LEU 68 HB2 LEU 68 -2.777 7.127 4.726 542 HB3 LEU 68 HB3 LEU 68 -3.447 8.508 3.906 543 HG LEU 68 HG LEU 68 -3.236 5.723 2.721 544 HD11 LEU 68 HD11 LEU 68 -5.590 7.149 4.055 545 HD12 LEU 68 HD12 LEU 68 -4.746 5.694 4.627 546 HD13 LEU 68 HD13 LEU 68 -5.709 5.623 3.151 547 HD21 LEU 68 HD21 LEU 68 -4.779 8.177 1.759 548 HD22 LEU 68 HD22 LEU 68 -4.941 6.543 1.082 549 HD23 LEU 68 HD23 LEU 68 -3.406 7.399 0.939 550 H LYS 69 HN LYS 69 0.146 9.382 4.237 551 HA LYS 69 HA LYS 69 -0.939 11.944 3.573 552 HB2 LYS 69 HB2 LYS 69 0.850 11.217 5.327 553 HB3 LYS 69 HB3 LYS 69 2.015 11.430 4.037 554 HG2 LYS 69 HG2 LYS 69 0.106 13.519 5.129 555 HG3 LYS 69 HG3 LYS 69 1.762 13.309 5.682 556 HD2 LYS 69 HD2 LYS 69 2.359 14.901 4.222 557 HD3 LYS 69 HD3 LYS 69 2.110 13.722 2.941 558 HE2 LYS 69 HE2 LYS 69 0.808 15.570 2.284 559 HE3 LYS 69 HE3 LYS 69 -0.340 14.411 2.950 560 HZ1 LYS 69 HZ1 LYS 69 -0.196 15.728 5.059 561 HZ2 LYS 69 HZ2 LYS 69 -0.898 16.478 3.753 562 HZ3 LYS 69 HZ3 LYS 69 0.629 16.878 4.228 563 H LEU 70 HN LEU 70 1.191 9.782 1.733 564 HA LEU 70 HA LEU 70 1.999 11.693 -0.235 565 HB2 LEU 70 HB2 LEU 70 3.150 9.648 -0.276 566 HB3 LEU 70 HB3 LEU 70 1.684 8.709 -0.396 567 HG LEU 70 HG LEU 70 1.301 9.724 -2.733 568 HD11 LEU 70 HD11 LEU 70 3.349 10.624 -3.836 569 HD12 LEU 70 HD12 LEU 70 4.195 10.627 -2.278 570 HD13 LEU 70 HD13 LEU 70 2.799 11.691 -2.541 571 HD21 LEU 70 HD21 LEU 70 3.838 8.114 -2.280 572 HD22 LEU 70 HD22 LEU 70 2.866 8.201 -3.774 573 HD23 LEU 70 HD23 LEU 70 2.179 7.480 -2.315 574 H LYS 71 HN LYS 71 -1.049 9.811 0.059 575 HA LYS 71 HA LYS 71 -2.069 10.408 -2.514 576 HB2 LYS 71 HB2 LYS 71 -2.888 8.687 -0.951 577 HB3 LYS 71 HB3 LYS 71 -3.547 9.938 0.101 578 HG2 LYS 71 HG2 LYS 71 -5.484 9.779 -0.918 579 HG3 LYS 71 HG3 LYS 71 -4.777 10.433 -2.396 580 HD2 LYS 71 HD2 LYS 71 -4.323 8.218 -3.256 581 HD3 LYS 71 HD3 LYS 71 -4.615 7.507 -1.658 582 HE2 LYS 71 HE2 LYS 71 -6.465 6.975 -3.096 583 HE3 LYS 71 HE3 LYS 71 -6.967 7.997 -1.737 584 HZ1 LYS 71 HZ1 LYS 71 -8.017 8.769 -3.629 585 HZ2 LYS 71 HZ2 LYS 71 -6.649 8.848 -4.548 586 HZ3 LYS 71 HZ3 LYS 71 -6.922 9.886 -3.258 587 H ASP 72 HN ASP 72 -2.139 12.335 0.467 588 HA ASP 72 HA ASP 72 -3.978 14.382 -0.281 589 HB2 ASP 72 HB2 ASP 72 -3.006 14.034 1.985 590 HB3 ASP 72 HB3 ASP 72 -1.454 14.548 1.362 591 H THR 73 HN THR 73 -0.511 13.938 -0.937 592 HA THR 73 HA THR 73 -0.446 16.515 -2.378 593 HB THR 73 HB THR 73 1.147 15.901 -0.614 594 HG1 THR 73 HG1 THR 73 2.015 16.714 -3.160 595 HG21 THR 73 HG21 THR 73 1.761 13.673 -0.998 596 HG22 THR 73 HG22 THR 73 3.205 14.661 -1.194 597 HG23 THR 73 HG23 THR 73 2.372 14.023 -2.631 598 H ASN 74 HN ASN 74 -0.234 13.062 -3.174 599 HA ASN 74 HA ASN 74 -0.490 13.664 -6.039 600 HB2 ASN 74 HB2 ASN 74 1.935 13.440 -5.753 601 HB3 ASN 74 HB3 ASN 74 1.711 11.880 -4.953 602 HD21 ASN 74 HD21 ASN 74 3.233 11.235 -6.912 603 HD22 ASN 74 HD22 ASN 74 2.474 11.079 -8.482 604 HA PRO 75 HA PRO 75 -3.134 10.272 -4.367 605 HB2 PRO 75 HB2 PRO 75 -5.436 10.828 -5.773 606 HB3 PRO 75 HB3 PRO 75 -4.987 11.700 -4.277 607 HG2 PRO 75 HG2 PRO 75 -4.545 12.559 -7.133 608 HG3 PRO 75 HG3 PRO 75 -5.191 13.531 -5.778 609 HD2 PRO 75 HD2 PRO 75 -2.568 13.637 -6.576 610 HD3 PRO 75 HD3 PRO 75 -3.019 13.829 -4.866 611 H GLU 76 HN GLU 76 -2.539 11.339 -7.701 612 HA GLU 76 HA GLU 76 -3.471 9.081 -9.143 613 HB2 GLU 76 HB2 GLU 76 -2.852 11.459 -9.918 614 HB3 GLU 76 HB3 GLU 76 -1.157 11.023 -9.730 615 HG2 GLU 76 HG2 GLU 76 -1.436 9.233 -11.435 616 HG3 GLU 76 HG3 GLU 76 -3.143 9.666 -11.596 617 H GLY 77 HN GLY 77 -0.191 9.950 -7.940 618 HA2 GLY 77 HA2 GLY 77 1.147 7.630 -8.834 619 HA3 GLY 77 HA1 GLY 77 1.628 8.628 -7.443 620 H PHE 78 HN PHE 78 -0.547 8.270 -5.706 621 HA PHE 78 HA PHE 78 0.035 5.716 -4.536 622 HB2 PHE 78 HB2 PHE 78 -0.678 7.696 -3.262 623 HB3 PHE 78 HB3 PHE 78 -2.255 7.656 -4.049 624 HD1 PHE 78 HD1 PHE 78 -0.046 6.010 -1.628 625 HD2 PHE 78 HD2 PHE 78 -3.901 5.885 -3.504 626 HE1 PHE 78 HE1 PHE 78 -0.916 4.550 0.244 627 HE2 PHE 78 HE2 PHE 78 -4.764 4.467 -1.664 628 HZ PHE 78 HZ PHE 78 -3.266 3.831 0.222 629 H ASN 79 HN ASN 79 -2.794 6.878 -6.348 630 HA ASN 79 HA ASN 79 -4.421 4.606 -6.270 631 HB2 ASN 79 HB2 ASN 79 -3.976 6.784 -8.331 632 HB3 ASN 79 HB3 ASN 79 -5.151 5.546 -8.594 633 HD21 ASN 79 HD21 ASN 79 -6.098 7.960 -8.698 634 HD22 ASN 79 HD22 ASN 79 -6.907 8.502 -7.245 635 H GLN 80 HN GLN 80 -1.944 5.429 -8.825 636 HA GLN 80 HA GLN 80 -2.158 2.908 -10.141 637 HB2 GLN 80 HB2 GLN 80 0.013 5.038 -9.994 638 HB3 GLN 80 HB3 GLN 80 0.250 3.531 -10.865 639 HG2 GLN 80 HG2 GLN 80 -2.242 4.343 -11.825 640 HG3 GLN 80 HG3 GLN 80 -1.394 5.872 -11.607 641 HE21 GLN 80 HE21 GLN 80 0.076 6.434 -13.373 642 HE22 GLN 80 HE22 GLN 80 0.760 5.179 -14.396 643 H LEU 81 HN LEU 81 -0.370 3.758 -7.209 644 HA LEU 81 HA LEU 81 1.437 1.519 -7.317 645 HB2 LEU 81 HB2 LEU 81 1.355 3.710 -5.756 646 HB3 LEU 81 HB3 LEU 81 0.441 2.660 -4.696 647 HG LEU 81 HG LEU 81 2.826 1.323 -5.777 648 HD11 LEU 81 HD11 LEU 81 3.714 3.708 -5.502 649 HD12 LEU 81 HD12 LEU 81 4.587 2.360 -4.781 650 HD13 LEU 81 HD13 LEU 81 3.608 3.375 -3.750 651 HD21 LEU 81 HD21 LEU 81 3.168 0.721 -3.405 652 HD22 LEU 81 HD22 LEU 81 1.475 0.464 -3.908 653 HD23 LEU 81 HD23 LEU 81 1.913 1.895 -2.947 654 H MET 82 HN MET 82 -1.713 2.141 -5.854 655 HA MET 82 HA MET 82 -2.061 -0.392 -4.636 656 HB2 MET 82 HB2 MET 82 -4.193 1.480 -5.769 657 HB3 MET 82 HB3 MET 82 -4.514 0.056 -4.805 658 HG2 MET 82 HG2 MET 82 -2.738 1.191 -3.135 659 HG3 MET 82 HG3 MET 82 -3.193 2.650 -4.013 660 HE1 MET 82 HE1 MET 82 -5.836 0.133 -1.217 661 HE2 MET 82 HE2 MET 82 -5.108 -0.560 -2.680 662 HE3 MET 82 HE3 MET 82 -4.071 0.015 -1.354 663 H HIS 83 HN HIS 83 -2.733 0.627 -8.017 664 HA HIS 83 HA HIS 83 -3.868 -1.836 -8.820 665 HB2 HIS 83 HB2 HIS 83 -3.850 0.332 -10.090 666 HB3 HIS 83 HB3 HIS 83 -2.187 0.006 -10.562 667 HD1 HIS 83 HD1 HIS 83 -2.681 -0.343 -13.149 668 HD2 HIS 83 HD2 HIS 83 -4.854 -2.824 -10.542 669 HE1 HIS 83 HE1 HIS 83 -4.015 -1.947 -14.621 670 H PHE 84 HN PHE 84 -0.440 -0.744 -8.857 671 HA PHE 84 HA PHE 84 0.768 -2.881 -10.133 672 HB2 PHE 84 HB2 PHE 84 2.005 -0.885 -9.479 673 HB3 PHE 84 HB3 PHE 84 1.794 -1.248 -7.782 674 HD1 PHE 84 HD1 PHE 84 2.893 -3.331 -6.781 675 HD2 PHE 84 HD2 PHE 84 3.934 -1.704 -10.634 676 HE1 PHE 84 HE1 PHE 84 5.037 -4.562 -6.711 677 HE2 PHE 84 HE2 PHE 84 6.117 -2.901 -10.536 678 HZ PHE 84 HZ PHE 84 6.651 -4.361 -8.591 679 H ALA 85 HN ALA 85 -0.382 -2.777 -6.784 680 HA ALA 85 HA ALA 85 0.850 -5.187 -5.871 681 HB1 ALA 85 HB1 ALA 85 -0.182 -3.482 -4.399 682 HB2 ALA 85 HB2 ALA 85 -1.781 -3.918 -5.007 683 HB3 ALA 85 HB3 ALA 85 -0.841 -5.114 -4.099 684 H THR 86 HN THR 86 -2.590 -4.692 -6.770 685 HA THR 86 HA THR 86 -3.165 -7.431 -6.860 686 HB THR 86 HB THR 86 -4.665 -5.073 -8.068 687 HG1 THR 86 HG1 THR 86 -5.220 -4.543 -6.075 688 HG21 THR 86 HG21 THR 86 -5.696 -7.273 -8.540 689 HG22 THR 86 HG22 THR 86 -6.678 -6.345 -7.407 690 HG23 THR 86 HG23 THR 86 -5.653 -7.684 -6.814 691 H GLU 87 HN GLU 87 -1.983 -5.249 -9.411 692 HA GLU 87 HA GLU 87 -2.360 -6.733 -11.763 693 HB2 GLU 87 HB2 GLU 87 -0.240 -4.913 -10.634 694 HB3 GLU 87 HB3 GLU 87 0.105 -5.743 -12.132 695 HG2 GLU 87 HG2 GLU 87 -2.464 -4.194 -11.900 696 HG3 GLU 87 HG3 GLU 87 -0.945 -3.303 -12.049 697 H ASN 88 HN ASN 88 0.216 -6.964 -9.293 698 HA ASN 88 HA ASN 88 1.349 -9.379 -10.570 699 HB2 ASN 88 HB2 ASN 88 2.269 -7.583 -8.301 700 HB3 ASN 88 HB3 ASN 88 3.121 -9.048 -8.809 701 HD21 ASN 88 HD21 ASN 88 2.381 -5.702 -9.596 702 HD22 ASN 88 HD22 ASN 88 3.344 -5.637 -11.059 703 H GLN 89 HN GLN 89 -1.298 -9.146 -9.007 704 HA GLN 89 HA GLN 89 -2.547 -10.136 -7.474 705 HB2 GLN 89 HB2 GLN 89 -0.895 -12.618 -7.973 706 HB3 GLN 89 HB3 GLN 89 -2.574 -12.453 -7.400 707 HG2 GLN 89 HG2 GLN 89 -1.838 -11.554 -10.179 708 HG3 GLN 89 HG3 GLN 89 -2.160 -13.243 -9.775 709 HE21 GLN 89 HE21 GLN 89 -3.696 -9.969 -9.866 710 HE22 GLN 89 HE22 GLN 89 -5.315 -10.576 -9.748 711 H LEU 90 HN LEU 90 -0.503 -8.714 -6.337 712 HA LEU 90 HA LEU 90 0.573 -10.166 -4.020 713 HB2 LEU 90 HB2 LEU 90 0.499 -7.195 -4.693 714 HB3 LEU 90 HB3 LEU 90 1.397 -7.912 -3.390 715 HG LEU 90 HG LEU 90 1.869 -8.354 -6.350 716 HD11 LEU 90 HD11 LEU 90 3.623 -7.021 -4.248 717 HD12 LEU 90 HD12 LEU 90 2.740 -6.214 -5.553 718 HD13 LEU 90 HD13 LEU 90 4.060 -7.303 -5.957 719 HD21 LEU 90 HD21 LEU 90 3.119 -9.775 -3.998 720 HD22 LEU 90 HD22 LEU 90 3.905 -9.623 -5.600 721 HD23 LEU 90 HD23 LEU 90 2.363 -10.449 -5.454 722 H ASN 91 HN ASN 91 -0.069 -9.637 -1.867 723 HA ASN 91 HA ASN 91 -2.954 -9.052 -1.590 724 HB2 ASN 91 HB2 ASN 91 -1.266 -10.593 -0.040 725 HB3 ASN 91 HB3 ASN 91 -1.237 -9.067 0.835 726 HD21 ASN 91 HD21 ASN 91 -2.413 -11.651 1.563 727 HD22 ASN 91 HD22 ASN 91 -4.095 -11.271 1.971 728 H ILE 92 HN ILE 92 -3.546 -7.289 0.005 729 HA ILE 92 HA ILE 92 -1.543 -5.145 0.313 730 HB ILE 92 HB ILE 92 -4.426 -4.624 -0.361 731 HG12 ILE 92 HG12 ILE 92 -1.983 -4.191 -2.156 732 HG13 ILE 92 HG13 ILE 92 -3.209 -5.432 -2.395 733 HG21 ILE 92 HG21 ILE 92 -3.551 -2.215 -0.457 734 HG22 ILE 92 HG22 ILE 92 -3.392 -2.941 1.120 735 HG23 ILE 92 HG23 ILE 92 -1.969 -2.821 0.075 736 HD11 ILE 92 HD11 ILE 92 -4.944 -3.617 -2.585 737 HD12 ILE 92 HD12 ILE 92 -3.595 -2.452 -2.662 738 HD13 ILE 92 HD13 ILE 92 -3.765 -3.704 -3.900 739 H LEU 93 HN LEU 93 -1.488 -4.604 2.449 740 HA LEU 93 HA LEU 93 -3.615 -5.476 4.240 741 HB2 LEU 93 HB2 LEU 93 -0.733 -4.874 4.878 742 HB3 LEU 93 HB3 LEU 93 -1.938 -5.663 5.897 743 HG LEU 93 HG LEU 93 -0.624 -6.746 3.476 744 HD11 LEU 93 HD11 LEU 93 -0.078 -7.390 6.388 745 HD12 LEU 93 HD12 LEU 93 0.978 -6.470 5.295 746 HD13 LEU 93 HD13 LEU 93 0.683 -8.190 5.018 747 HD21 LEU 93 HD21 LEU 93 -1.422 -8.999 4.166 748 HD22 LEU 93 HD22 LEU 93 -2.686 -7.897 3.637 749 HD23 LEU 93 HD23 LEU 93 -2.436 -8.206 5.391 750 H ASP 94 HN ASP 94 -3.350 -4.174 6.185 751 HA ASP 94 HA ASP 94 -3.369 -1.248 5.527 752 HB2 ASP 94 HB2 ASP 94 -4.842 -0.812 7.195 753 HB3 ASP 94 HB3 ASP 94 -5.418 -2.363 6.640 754 H ALA 95 HN ALA 95 -3.013 -0.078 7.842 755 HA ALA 95 HA ALA 95 -0.214 0.055 8.238 756 HB1 ALA 95 HB1 ALA 95 -2.470 0.944 10.120 757 HB2 ALA 95 HB2 ALA 95 -0.794 1.518 10.175 758 HB3 ALA 95 HB3 ALA 95 -1.820 1.918 8.795 759 H GLU 96 HN GLU 96 -2.732 -1.726 10.031 760 HA GLU 96 HA GLU 96 -0.982 -2.650 12.135 761 HB2 GLU 96 HB2 GLU 96 -3.657 -3.646 11.226 762 HB3 GLU 96 HB3 GLU 96 -2.849 -4.092 12.711 763 HG2 GLU 96 HG2 GLU 96 -3.682 -1.263 11.919 764 HG3 GLU 96 HG3 GLU 96 -4.625 -2.309 12.971 765 H GLY 97 HN GLY 97 -2.208 -3.795 9.044 766 HA2 GLY 97 HA2 GLY 97 -0.858 -5.159 7.619 767 HA3 GLY 97 HA1 GLY 97 -0.238 -6.047 8.978 768 H ASN 98 HN ASN 98 -3.638 -5.269 8.926 769 HA ASN 98 HA ASN 98 -4.479 -8.087 8.531 770 HB2 ASN 98 HB2 ASN 98 -6.212 -5.589 8.498 771 HB3 ASN 98 HB3 ASN 98 -6.709 -7.241 8.818 772 HD21 ASN 98 HD21 ASN 98 -5.585 -4.345 10.173 773 HD22 ASN 98 HD22 ASN 98 -5.816 -4.823 11.869 774 H SER 99 HN SER 99 -5.301 -8.833 6.445 775 HA SER 99 HA SER 99 -4.619 -7.240 4.129 776 HB2 SER 99 HB2 SER 99 -6.445 -9.613 4.018 777 HB3 SER 99 HB3 SER 99 -5.212 -9.054 2.876 778 HG SER 99 HG SER 99 -3.631 -9.716 4.474 779 H ILE 100 HN ILE 100 -5.814 -5.784 3.012 780 HA ILE 100 HA ILE 100 -8.726 -5.677 3.535 781 HB ILE 100 HB ILE 100 -8.461 -3.143 3.227 782 HG12 ILE 100 HG12 ILE 100 -5.656 -3.620 4.311 783 HG13 ILE 100 HG13 ILE 100 -5.973 -3.335 2.599 784 HG21 ILE 100 HG21 ILE 100 -7.522 -4.441 5.817 785 HG22 ILE 100 HG22 ILE 100 -8.222 -2.810 5.639 786 HG23 ILE 100 HG23 ILE 100 -9.217 -4.213 5.281 787 HD11 ILE 100 HD11 ILE 100 -7.083 -1.185 3.188 788 HD12 ILE 100 HD12 ILE 100 -6.574 -1.403 4.868 789 HD13 ILE 100 HD13 ILE 100 -5.355 -1.245 3.589 790 H ASP 101 HN ASP 101 -9.970 -4.749 1.861 791 HA ASP 101 HA ASP 101 -8.903 -5.193 -0.869 792 HB2 ASP 101 HB2 ASP 101 -11.595 -4.424 0.246 793 HB3 ASP 101 HB3 ASP 101 -11.243 -4.103 -1.410 794 H ALA 102 HN ALA 102 -8.944 -3.546 -2.348 795 HA ALA 102 HA ALA 102 -7.517 -1.188 -1.349 796 HB1 ALA 102 HB1 ALA 102 -7.285 -0.615 -3.772 797 HB2 ALA 102 HB2 ALA 102 -6.818 -2.295 -3.445 798 HB3 ALA 102 HB3 ALA 102 -8.401 -1.942 -4.161 799 H ALA 103 HN ALA 103 -10.743 -1.834 -2.443 800 HA ALA 103 HA ALA 103 -11.642 0.828 -2.891 801 HB1 ALA 103 HB1 ALA 103 -12.826 -1.300 -3.548 802 HB2 ALA 103 HB2 ALA 103 -13.169 -1.593 -1.825 803 HB3 ALA 103 HB3 ALA 103 -13.866 -0.178 -2.652 804 H GLN 104 HN GLN 104 -10.856 -0.886 0.059 805 HA GLN 104 HA GLN 104 -12.334 0.995 1.769 806 HB2 GLN 104 HB2 GLN 104 -10.613 -1.413 2.385 807 HB3 GLN 104 HB3 GLN 104 -11.465 -0.413 3.576 808 HG2 GLN 104 HG2 GLN 104 -13.531 -0.994 1.834 809 HG3 GLN 104 HG3 GLN 104 -12.529 -2.443 1.677 810 HE21 GLN 104 HE21 GLN 104 -12.065 -3.689 3.674 811 HE22 GLN 104 HE22 GLN 104 -13.272 -3.644 4.945 812 H VAL 105 HN VAL 105 -9.779 1.454 -0.075 813 HA VAL 105 HA VAL 105 -8.412 3.161 1.949 814 HB VAL 105 HB VAL 105 -7.112 1.917 -0.496 815 HG11 VAL 105 HG11 VAL 105 -5.018 2.532 0.580 816 HG12 VAL 105 HG12 VAL 105 -6.018 3.972 0.343 817 HG13 VAL 105 HG13 VAL 105 -5.890 3.249 1.956 818 HG21 VAL 105 HG21 VAL 105 -5.937 0.377 1.083 819 HG22 VAL 105 HG22 VAL 105 -6.968 0.978 2.397 820 HG23 VAL 105 HG23 VAL 105 -7.666 0.065 1.034 821 H THR 106 HN THR 106 -9.360 2.829 -1.533 822 HA THR 106 HA THR 106 -8.614 5.559 -2.052 823 HB THR 106 HB THR 106 -9.650 5.005 -4.332 824 HG1 THR 106 HG1 THR 106 -10.934 3.211 -3.840 825 HG21 THR 106 HG21 THR 106 -7.656 3.710 -4.937 826 HG22 THR 106 HG22 THR 106 -7.426 3.196 -3.256 827 HG23 THR 106 HG23 THR 106 -7.203 4.901 -3.734 828 H GLU 107 HN GLU 107 -11.146 4.764 -0.194 829 HA GLU 107 HA GLU 107 -12.718 7.111 -1.069 830 HB2 GLU 107 HB2 GLU 107 -13.726 4.362 -0.253 831 HB3 GLU 107 HB3 GLU 107 -14.734 5.811 -0.443 832 HG2 GLU 107 HG2 GLU 107 -13.925 6.027 -2.793 833 HG3 GLU 107 HG3 GLU 107 -13.071 4.495 -2.614 834 H ILE 108 HN ILE 108 -10.636 6.451 1.191 835 HA ILE 108 HA ILE 108 -11.973 6.653 3.696 836 HB ILE 108 HB ILE 108 -9.208 7.461 2.832 837 HG12 ILE 108 HG12 ILE 108 -9.685 5.049 2.674 838 HG13 ILE 108 HG13 ILE 108 -8.533 5.429 3.917 839 HG21 ILE 108 HG21 ILE 108 -8.626 7.421 5.273 840 HG22 ILE 108 HG22 ILE 108 -9.714 8.765 4.827 841 HG23 ILE 108 HG23 ILE 108 -10.366 7.336 5.635 842 HD11 ILE 108 HD11 ILE 108 -10.260 5.076 5.669 843 HD12 ILE 108 HD12 ILE 108 -11.432 4.677 4.385 844 HD13 ILE 108 HD13 ILE 108 -10.018 3.660 4.636 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -12.983 -7.082 -1.186 2 HA2 GLY 1 HA2 GLY 1 -12.622 -8.981 1.058 3 HA3 GLY 1 HA1 GLY 1 -12.707 -7.205 1.210 4 H MET 2 HN MET 2 -14.450 -9.740 2.050 5 HA MET 2 HA MET 2 -16.999 -8.317 1.774 6 HB2 MET 2 HB2 MET 2 -16.675 -11.220 0.917 7 HB3 MET 2 HB3 MET 2 -18.202 -10.379 1.162 8 HG2 MET 2 HG2 MET 2 -17.620 -8.788 -0.660 9 HG3 MET 2 HG3 MET 2 -16.101 -9.642 -0.902 10 HE1 MET 2 HE1 MET 2 -19.785 -10.724 -0.274 11 HE2 MET 2 HE2 MET 2 -19.936 -9.596 -1.626 12 HE3 MET 2 HE3 MET 2 -20.274 -11.327 -1.861 13 H GLY 3 HN GLY 3 -15.984 -7.971 3.970 14 HA2 GLY 3 HA2 GLY 3 -16.672 -10.159 5.874 15 HA3 GLY 3 HA1 GLY 3 -15.070 -9.385 5.896 16 H THR 4 HN THR 4 -15.046 -6.963 6.191 17 HA THR 4 HA THR 4 -17.366 -5.868 7.588 18 HB THR 4 HB THR 4 -15.602 -5.007 9.334 19 HG1 THR 4 HG1 THR 4 -14.320 -6.912 9.915 20 HG21 THR 4 HG21 THR 4 -16.780 -7.812 9.525 21 HG22 THR 4 HG22 THR 4 -17.649 -6.290 9.854 22 HG23 THR 4 HG23 THR 4 -16.295 -6.756 10.874 23 H THR 5 HN THR 5 -17.734 -4.025 6.775 24 HA THR 5 HA THR 5 -15.562 -2.326 5.614 25 HB THR 5 HB THR 5 -17.464 -1.249 4.341 26 HG1 THR 5 HG1 THR 5 -18.794 -3.551 5.350 27 HG21 THR 5 HG21 THR 5 -16.867 -4.182 3.802 28 HG22 THR 5 HG22 THR 5 -15.881 -2.793 3.317 29 HG23 THR 5 HG23 THR 5 -17.495 -2.999 2.628 30 H GLU 6 HN GLU 6 -15.018 -1.719 7.776 31 HA GLU 6 HA GLU 6 -16.918 0.251 8.909 32 HB2 GLU 6 HB2 GLU 6 -14.995 -1.493 10.476 33 HB3 GLU 6 HB3 GLU 6 -16.098 -0.300 11.137 34 HG2 GLU 6 HG2 GLU 6 -18.023 -1.716 10.444 35 HG3 GLU 6 HG3 GLU 6 -16.919 -2.889 9.774 36 H LYS 7 HN LYS 7 -15.697 2.008 10.213 37 HA LYS 7 HA LYS 7 -13.139 2.642 8.791 38 HB2 LYS 7 HB2 LYS 7 -15.153 4.445 10.143 39 HB3 LYS 7 HB3 LYS 7 -13.568 4.963 9.554 40 HG2 LYS 7 HG2 LYS 7 -14.131 4.320 7.253 41 HG3 LYS 7 HG3 LYS 7 -15.653 3.617 7.802 42 HD2 LYS 7 HD2 LYS 7 -16.444 5.570 7.039 43 HD3 LYS 7 HD3 LYS 7 -16.188 6.042 8.704 44 HE2 LYS 7 HE2 LYS 7 -14.377 6.625 6.306 45 HE3 LYS 7 HE3 LYS 7 -15.478 7.761 7.082 46 HZ1 LYS 7 HZ1 LYS 7 -12.947 6.690 8.144 47 HZ2 LYS 7 HZ2 LYS 7 -14.042 7.393 9.144 48 HZ3 LYS 7 HZ3 LYS 7 -13.374 8.246 7.927 49 H SER 8 HN SER 8 -11.633 1.615 9.961 50 HA SER 8 HA SER 8 -10.947 2.313 12.712 51 HB2 SER 8 HB2 SER 8 -8.691 1.413 11.710 52 HB3 SER 8 HB3 SER 8 -10.053 0.280 11.860 53 HG SER 8 HG SER 8 -9.601 -0.031 9.829 54 H GLY 9 HN GLY 9 -8.514 3.484 12.628 55 HA2 GLY 9 HA2 GLY 9 -8.821 6.000 11.038 56 HA3 GLY 9 HA1 GLY 9 -7.992 5.833 12.581 57 H ILE 10 HN ILE 10 -7.730 3.762 9.602 58 HA ILE 10 HA ILE 10 -4.935 3.380 9.974 59 HB ILE 10 HB ILE 10 -6.692 2.948 7.524 60 HG12 ILE 10 HG12 ILE 10 -5.762 0.777 9.431 61 HG13 ILE 10 HG13 ILE 10 -7.232 1.654 9.763 62 HG21 ILE 10 HG21 ILE 10 -3.990 1.730 8.254 63 HG22 ILE 10 HG22 ILE 10 -4.926 1.382 6.786 64 HG23 ILE 10 HG23 ILE 10 -4.233 2.968 7.017 65 HD11 ILE 10 HD11 ILE 10 -7.590 -0.494 8.511 66 HD12 ILE 10 HD12 ILE 10 -8.261 0.932 7.694 67 HD13 ILE 10 HD13 ILE 10 -6.774 0.218 7.110 68 H LYS 11 HN LYS 11 -3.261 4.703 9.403 69 HA LYS 11 HA LYS 11 -3.708 6.837 7.354 70 HB2 LYS 11 HB2 LYS 11 -1.637 6.891 9.533 71 HB3 LYS 11 HB3 LYS 11 -2.105 8.219 8.477 72 HG2 LYS 11 HG2 LYS 11 -3.731 6.988 10.711 73 HG3 LYS 11 HG3 LYS 11 -2.922 8.547 10.724 74 HD2 LYS 11 HD2 LYS 11 -4.484 9.372 8.952 75 HD3 LYS 11 HD3 LYS 11 -5.277 7.783 8.924 76 HE2 LYS 11 HE2 LYS 11 -6.615 9.129 10.351 77 HE3 LYS 11 HE3 LYS 11 -5.712 8.013 11.389 78 HZ1 LYS 11 HZ1 LYS 11 -5.161 10.879 10.909 79 HZ2 LYS 11 HZ2 LYS 11 -4.094 9.925 11.695 80 HZ3 LYS 11 HZ3 LYS 11 -5.561 10.186 12.341 81 H GLU 12 HN GLU 12 -2.604 3.994 7.140 82 HA GLU 12 HA GLU 12 -0.457 4.525 5.349 83 HB2 GLU 12 HB2 GLU 12 0.610 4.738 7.714 84 HB3 GLU 12 HB3 GLU 12 0.363 3.008 7.894 85 HG2 GLU 12 HG2 GLU 12 1.836 2.578 5.986 86 HG3 GLU 12 HG3 GLU 12 1.941 4.297 5.616 87 H ILE 13 HN ILE 13 -0.283 2.654 3.966 88 HA ILE 13 HA ILE 13 -1.727 0.184 4.823 89 HB ILE 13 HB ILE 13 -2.649 -0.053 2.553 90 HG12 ILE 13 HG12 ILE 13 -2.533 2.480 1.401 91 HG13 ILE 13 HG13 ILE 13 -0.931 2.305 2.017 92 HG21 ILE 13 HG21 ILE 13 -3.893 1.060 4.444 93 HG22 ILE 13 HG22 ILE 13 -3.502 2.627 3.708 94 HG23 ILE 13 HG23 ILE 13 -4.467 1.435 2.828 95 HD11 ILE 13 HD11 ILE 13 -0.556 0.249 0.786 96 HD12 ILE 13 HD12 ILE 13 -2.245 0.220 0.233 97 HD13 ILE 13 HD13 ILE 13 -1.153 1.502 -0.318 98 H ILE 14 HN ILE 14 -0.983 -1.724 3.424 99 HA ILE 14 HA ILE 14 1.952 -1.465 3.110 100 HB ILE 14 HB ILE 14 0.558 -3.240 5.153 101 HG12 ILE 14 HG12 ILE 14 2.213 -0.686 5.436 102 HG13 ILE 14 HG13 ILE 14 0.528 -0.936 5.918 103 HG21 ILE 14 HG21 ILE 14 2.553 -4.284 4.132 104 HG22 ILE 14 HG22 ILE 14 3.528 -2.849 4.539 105 HG23 ILE 14 HG23 ILE 14 2.838 -3.893 5.816 106 HD11 ILE 14 HD11 ILE 14 1.243 -2.509 7.659 107 HD12 ILE 14 HD12 ILE 14 2.933 -2.151 7.242 108 HD13 ILE 14 HD13 ILE 14 1.894 -0.867 7.860 109 H ILE 15 HN ILE 15 1.924 -2.030 0.994 110 HA ILE 15 HA ILE 15 0.253 -4.180 -0.016 111 HB ILE 15 HB ILE 15 2.785 -3.178 -1.325 112 HG12 ILE 15 HG12 ILE 15 1.460 -1.167 -0.870 113 HG13 ILE 15 HG13 ILE 15 1.584 -1.540 -2.584 114 HG21 ILE 15 HG21 ILE 15 1.951 -5.173 -2.314 115 HG22 ILE 15 HG22 ILE 15 0.277 -4.585 -2.309 116 HG23 ILE 15 HG23 ILE 15 1.468 -3.849 -3.395 117 HD11 ILE 15 HD11 ILE 15 -0.657 -0.725 -1.780 118 HD12 ILE 15 HD12 ILE 15 -0.666 -2.201 -2.742 119 HD13 ILE 15 HD13 ILE 15 -0.854 -2.311 -0.990 120 H GLN 16 HN GLN 16 0.663 -6.337 0.196 121 HA GLN 16 HA GLN 16 2.950 -7.061 1.783 122 HB2 GLN 16 HB2 GLN 16 0.460 -8.072 1.617 123 HB3 GLN 16 HB3 GLN 16 1.267 -9.187 0.504 124 HG2 GLN 16 HG2 GLN 16 2.931 -9.713 2.305 125 HG3 GLN 16 HG3 GLN 16 2.129 -8.546 3.363 126 HE21 GLN 16 HE21 GLN 16 1.930 -10.342 4.937 127 HE22 GLN 16 HE22 GLN 16 0.611 -11.455 4.711 128 H GLY 17 HN GLY 17 4.583 -8.639 1.150 129 HA2 GLY 17 HA2 GLY 17 5.300 -8.611 -1.739 130 HA3 GLY 17 HA1 GLY 17 6.291 -9.224 -0.411 131 H LEU 18 HN LEU 18 2.988 -10.237 -0.170 132 HA LEU 18 HA LEU 18 3.668 -12.932 -1.106 133 HB2 LEU 18 HB2 LEU 18 2.680 -11.882 1.379 134 HB3 LEU 18 HB3 LEU 18 1.281 -12.584 0.580 135 HG LEU 18 HG LEU 18 2.450 -14.755 0.416 136 HD11 LEU 18 HD11 LEU 18 4.559 -15.035 1.828 137 HD12 LEU 18 HD12 LEU 18 4.725 -13.271 1.752 138 HD13 LEU 18 HD13 LEU 18 4.764 -14.225 0.283 139 HD21 LEU 18 HD21 LEU 18 2.346 -15.223 2.852 140 HD22 LEU 18 HD22 LEU 18 1.059 -14.095 2.400 141 HD23 LEU 18 HD23 LEU 18 2.507 -13.486 3.196 142 H THR 19 HN THR 19 2.102 -13.968 -2.422 143 HA THR 19 HA THR 19 0.456 -12.292 -4.046 144 HB THR 19 HB THR 19 -0.295 -14.450 -5.038 145 HG1 THR 19 HG1 THR 19 0.733 -16.336 -4.334 146 HG21 THR 19 HG21 THR 19 1.804 -13.348 -5.790 147 HG22 THR 19 HG22 THR 19 1.854 -15.109 -5.974 148 HG23 THR 19 HG23 THR 19 2.729 -14.335 -4.638 149 H ARG 20 HN ARG 20 -1.865 -12.763 -4.451 150 HA ARG 20 HA ARG 20 -3.676 -12.390 -2.393 151 HB2 ARG 20 HB2 ARG 20 -5.381 -13.151 -3.967 152 HB3 ARG 20 HB3 ARG 20 -4.152 -12.169 -4.744 153 HG2 ARG 20 HG2 ARG 20 -3.057 -14.505 -5.362 154 HG3 ARG 20 HG3 ARG 20 -4.664 -15.161 -5.031 155 HD2 ARG 20 HD2 ARG 20 -4.194 -12.791 -6.867 156 HD3 ARG 20 HD3 ARG 20 -4.039 -14.450 -7.473 157 HE ARG 20 HE ARG 20 -6.470 -12.990 -6.734 158 HH11 ARG 20 HH11 ARG 20 -5.144 -16.139 -7.839 159 HH12 ARG 20 HH12 ARG 20 -6.715 -16.644 -8.412 160 HH21 ARG 20 HH21 ARG 20 -8.378 -13.703 -7.542 161 HH22 ARG 20 HH22 ARG 20 -8.558 -15.299 -8.223 162 H ALA 21 HN ALA 21 -2.306 -15.479 -3.459 163 HA ALA 21 HA ALA 21 -3.868 -17.163 -1.692 164 HB1 ALA 21 HB1 ALA 21 -2.847 -18.093 -3.704 165 HB2 ALA 21 HB2 ALA 21 -1.222 -17.648 -3.145 166 HB3 ALA 21 HB3 ALA 21 -2.174 -18.865 -2.259 167 H GLY 22 HN GLY 22 -0.415 -16.440 -1.692 168 HA2 GLY 22 HA2 GLY 22 0.284 -15.368 0.622 169 HA3 GLY 22 HA1 GLY 22 -0.303 -16.916 1.221 170 H LYS 23 HN LYS 23 1.247 -16.611 -1.953 171 HA LYS 23 HA LYS 23 3.638 -18.121 -0.966 172 HB2 LYS 23 HB2 LYS 23 2.562 -17.625 -3.764 173 HB3 LYS 23 HB3 LYS 23 4.171 -18.252 -3.421 174 HG2 LYS 23 HG2 LYS 23 2.893 -19.911 -1.826 175 HG3 LYS 23 HG3 LYS 23 1.500 -19.553 -2.876 176 HD2 LYS 23 HD2 LYS 23 3.038 -20.159 -4.811 177 HD3 LYS 23 HD3 LYS 23 4.236 -20.630 -3.587 178 HE2 LYS 23 HE2 LYS 23 1.451 -21.847 -3.966 179 HE3 LYS 23 HE3 LYS 23 2.977 -22.579 -4.489 180 HZ1 LYS 23 HZ1 LYS 23 2.205 -22.070 -1.662 181 HZ2 LYS 23 HZ2 LYS 23 3.638 -22.751 -2.171 182 HZ3 LYS 23 HZ3 LYS 23 2.225 -23.508 -2.466 183 HA PRO 24 HA PRO 24 5.951 -14.286 -1.406 184 HB2 PRO 24 HB2 PRO 24 8.414 -15.174 -2.160 185 HB3 PRO 24 HB3 PRO 24 7.788 -15.345 -0.489 186 HG2 PRO 24 HG2 PRO 24 7.793 -17.435 -2.691 187 HG3 PRO 24 HG3 PRO 24 8.281 -17.623 -0.969 188 HD2 PRO 24 HD2 PRO 24 5.824 -18.352 -1.884 189 HD3 PRO 24 HD3 PRO 24 6.027 -17.639 -0.250 190 H PHE 25 HN PHE 25 6.550 -12.866 -3.022 191 HA PHE 25 HA PHE 25 6.278 -13.770 -5.851 192 HB2 PHE 25 HB2 PHE 25 4.645 -12.122 -5.195 193 HB3 PHE 25 HB3 PHE 25 5.850 -11.148 -4.366 194 HD1 PHE 25 HD2 PHE 25 4.577 -12.174 -7.677 195 HD2 PHE 25 HD1 PHE 25 7.266 -9.562 -5.530 196 HE1 PHE 25 HE2 PHE 25 5.014 -10.872 -9.755 197 HE2 PHE 25 HE1 PHE 25 7.643 -8.255 -7.593 198 HZ PHE 25 HZ PHE 25 6.516 -8.937 -9.715 199 H ARG 26 HN ARG 26 8.020 -13.404 -7.254 200 HA ARG 26 HA ARG 26 10.421 -12.118 -6.104 201 HB2 ARG 26 HB2 ARG 26 10.077 -14.131 -8.308 202 HB3 ARG 26 HB3 ARG 26 11.482 -13.157 -8.251 203 HG2 ARG 26 HG2 ARG 26 10.858 -14.503 -5.644 204 HG3 ARG 26 HG3 ARG 26 11.193 -15.601 -6.982 205 HD2 ARG 26 HD2 ARG 26 13.020 -13.363 -6.020 206 HD3 ARG 26 HD3 ARG 26 13.263 -15.094 -5.767 207 HE ARG 26 HE ARG 26 13.111 -15.115 -8.418 208 HH11 ARG 26 HH11 ARG 26 15.093 -12.835 -6.481 209 HH12 ARG 26 HH12 ARG 26 15.838 -12.192 -7.923 210 HH21 ARG 26 HH21 ARG 26 14.191 -14.342 -10.146 211 HH22 ARG 26 HH22 ARG 26 15.522 -13.235 -10.014 212 HA PRO 27 HA PRO 27 12.357 -11.383 -7.346 213 HB2 PRO 27 HB2 PRO 27 13.480 -8.869 -7.196 214 HB3 PRO 27 HB3 PRO 27 13.402 -9.796 -8.720 215 HG2 PRO 27 HG2 PRO 27 11.492 -7.643 -7.756 216 HG3 PRO 27 HG3 PRO 27 12.262 -7.790 -9.364 217 HD2 PRO 27 HD2 PRO 27 9.733 -8.693 -8.897 218 HD3 PRO 27 HD3 PRO 27 10.859 -9.527 -10.005 219 H SER 28 HN SER 28 12.897 -11.316 -5.026 220 HA SER 28 HA SER 28 10.824 -10.420 -3.376 221 HB2 SER 28 HB2 SER 28 13.540 -10.739 -2.179 222 HB3 SER 28 HB3 SER 28 12.008 -11.429 -1.703 223 HG SER 28 HG SER 28 13.503 -12.989 -2.637 224 H ASP 29 HN ASP 29 13.665 -8.885 -4.631 225 HA ASP 29 HA ASP 29 13.934 -6.596 -2.954 226 HB2 ASP 29 HB2 ASP 29 14.879 -7.188 -5.782 227 HB3 ASP 29 HB3 ASP 29 15.444 -5.851 -4.788 228 H TRP 30 HN TRP 30 11.257 -7.165 -4.909 229 HA TRP 30 HA TRP 30 10.973 -4.919 -6.540 230 HB2 TRP 30 HB2 TRP 30 8.614 -5.227 -6.368 231 HB3 TRP 30 HB3 TRP 30 9.362 -6.804 -6.402 232 HD1 TRP 30 HD1 TRP 30 9.023 -8.335 -4.190 233 HE1 TRP 30 HE1 TRP 30 7.598 -8.168 -2.143 234 HE3 TRP 30 HE3 TRP 30 7.489 -3.480 -4.696 235 HZ2 TRP 30 HZ2 TRP 30 5.594 -6.278 -1.051 236 HZ3 TRP 30 HZ3 TRP 30 5.769 -2.546 -3.145 237 HH2 TRP 30 HH2 TRP 30 4.842 -3.952 -1.325 238 H VAL 31 HN VAL 31 10.827 -5.108 -3.084 239 HA VAL 31 HA VAL 31 9.594 -2.674 -2.392 240 HB VAL 31 HB VAL 31 11.550 -4.581 -1.059 241 HG11 VAL 31 HG11 VAL 31 12.037 -2.803 0.295 242 HG12 VAL 31 HG12 VAL 31 10.481 -2.022 0.082 243 HG13 VAL 31 HG13 VAL 31 10.607 -3.453 1.117 244 HG21 VAL 31 HG21 VAL 31 9.438 -5.137 0.242 245 HG22 VAL 31 HG22 VAL 31 8.550 -4.103 -0.880 246 HG23 VAL 31 HG23 VAL 31 9.403 -5.551 -1.471 247 H ASP 32 HN ASP 32 12.949 -3.315 -3.457 248 HA ASP 32 HA ASP 32 13.772 -0.584 -2.697 249 HB2 ASP 32 HB2 ASP 32 15.135 -2.984 -2.832 250 HB3 ASP 32 HB3 ASP 32 15.590 -2.229 -4.358 251 H ARG 33 HN ARG 33 12.447 -2.289 -5.385 252 HA ARG 33 HA ARG 33 13.410 -0.461 -7.456 253 HB2 ARG 33 HB2 ARG 33 11.126 -2.466 -7.467 254 HB3 ARG 33 HB3 ARG 33 11.618 -1.523 -8.861 255 HG2 ARG 33 HG2 ARG 33 13.718 -3.217 -7.455 256 HG3 ARG 33 HG3 ARG 33 12.502 -4.001 -8.433 257 HD2 ARG 33 HD2 ARG 33 14.349 -3.662 -9.872 258 HD3 ARG 33 HD3 ARG 33 13.131 -2.479 -10.357 259 HE ARG 33 HE ARG 33 14.970 -1.358 -8.455 260 HH11 ARG 33 HH11 ARG 33 14.836 -2.312 -11.945 261 HH12 ARG 33 HH12 ARG 33 16.045 -1.163 -12.356 262 HH21 ARG 33 HH21 ARG 33 16.539 0.132 -9.129 263 HH22 ARG 33 HH22 ARG 33 17.158 0.052 -10.747 264 H MET 34 HN MET 34 10.450 -0.939 -5.594 265 HA MET 34 HA MET 34 8.964 1.230 -6.679 266 HB2 MET 34 HB2 MET 34 8.797 -0.601 -4.317 267 HB3 MET 34 HB3 MET 34 7.761 0.854 -4.309 268 HG2 MET 34 HG2 MET 34 7.848 -0.806 -6.805 269 HG3 MET 34 HG3 MET 34 6.960 -1.438 -5.426 270 HE1 MET 34 HE1 MET 34 5.608 -0.249 -4.012 271 HE2 MET 34 HE2 MET 34 4.487 1.068 -4.379 272 HE3 MET 34 HE3 MET 34 4.200 -0.567 -5.052 273 H CYS 35 HN CYS 35 11.061 1.184 -3.681 274 HA CYS 35 HA CYS 35 10.186 3.768 -2.845 275 HB2 CYS 35 HB2 CYS 35 12.224 3.795 -1.453 276 HB3 CYS 35 HB3 CYS 35 11.368 2.246 -1.326 277 HG CYS 35 HG CYS 35 13.936 1.860 -1.268 278 H SER 36 HN SER 36 12.915 2.772 -4.940 279 HA SER 36 HA SER 36 13.848 5.331 -5.609 280 HB2 SER 36 HB2 SER 36 13.874 2.706 -7.028 281 HB3 SER 36 HB3 SER 36 14.765 4.115 -7.635 282 HG SER 36 HG SER 36 15.740 2.441 -6.027 283 H THR 37 HN THR 37 11.066 3.478 -7.057 284 HA THR 37 HA THR 37 10.712 5.036 -9.355 285 HB THR 37 HB THR 37 8.601 3.765 -7.569 286 HG1 THR 37 HG1 THR 37 10.283 2.859 -9.641 287 HG21 THR 37 HG21 THR 37 8.383 4.474 -10.519 288 HG22 THR 37 HG22 THR 37 7.544 5.303 -9.189 289 HG23 THR 37 HG23 THR 37 7.181 3.616 -9.519 290 H TYR 38 HN TYR 38 9.489 5.758 -6.034 291 HA TYR 38 HA TYR 38 8.466 8.343 -7.088 292 HB2 TYR 38 HB2 TYR 38 8.060 6.870 -4.483 293 HB3 TYR 38 HB3 TYR 38 7.440 8.489 -4.804 294 HD1 TYR 38 HD1 TYR 38 5.739 8.931 -6.541 295 HD2 TYR 38 HD2 TYR 38 7.021 4.888 -5.620 296 HE1 TYR 38 HE1 TYR 38 3.791 8.015 -7.768 297 HE2 TYR 38 HE2 TYR 38 5.041 4.002 -6.813 298 HH TYR 38 HH TYR 38 3.479 5.621 -9.057 299 H ALA 39 HN ALA 39 11.438 7.388 -5.995 300 HA ALA 39 HA ALA 39 12.118 9.521 -4.189 301 HB1 ALA 39 HB1 ALA 39 13.776 7.704 -6.000 302 HB2 ALA 39 HB2 ALA 39 14.395 8.657 -4.651 303 HB3 ALA 39 HB3 ALA 39 13.291 7.304 -4.339 304 H SER 40 HN SER 40 13.807 10.986 -4.856 305 HA SER 40 HA SER 40 13.843 11.981 -7.671 306 HB2 SER 40 HB2 SER 40 13.892 14.314 -6.632 307 HB3 SER 40 HB3 SER 40 12.326 13.497 -6.697 308 HG SER 40 HG SER 40 12.194 13.709 -4.668 309 H PHE 41 HN PHE 41 15.837 13.096 -8.189 310 HA PHE 41 HA PHE 41 18.206 12.322 -6.695 311 HB2 PHE 41 HB2 PHE 41 17.500 14.083 -9.038 312 HB3 PHE 41 HB3 PHE 41 19.058 14.325 -8.238 313 HD1 PHE 41 HD1 PHE 41 18.060 10.809 -8.192 314 HD2 PHE 41 HD2 PHE 41 19.857 13.850 -10.662 315 HE1 PHE 41 HE1 PHE 41 19.088 9.080 -9.540 316 HE2 PHE 41 HE2 PHE 41 20.897 12.061 -12.041 317 HZ PHE 41 HZ PHE 41 20.534 9.661 -11.437 318 H GLY 42 HN GLY 42 19.598 13.722 -5.491 319 HA2 GLY 42 HA2 GLY 42 18.209 16.098 -4.284 320 HA3 GLY 42 HA1 GLY 42 19.033 14.822 -3.359 321 H ALA 43 HN ALA 43 19.588 17.298 -5.782 322 HA ALA 43 HA ALA 43 21.293 18.392 -6.626 323 HB1 ALA 43 HB1 ALA 43 21.150 19.409 -4.359 324 HB2 ALA 43 HB2 ALA 43 22.447 18.320 -3.819 325 HB3 ALA 43 HB3 ALA 43 22.769 19.515 -5.083 326 H ASP 44 HN ASP 44 22.737 16.108 -4.483 327 HA ASP 44 HA ASP 44 25.263 15.453 -5.620 328 HB2 ASP 44 HB2 ASP 44 23.803 15.062 -3.283 329 HB3 ASP 44 HB3 ASP 44 23.658 13.499 -4.022 330 H ARG 45 HN ARG 45 22.399 15.083 -7.068 331 HA ARG 45 HA ARG 45 21.283 13.685 -8.474 332 HB2 ARG 45 HB2 ARG 45 24.167 13.273 -9.315 333 HB3 ARG 45 HB3 ARG 45 22.782 12.887 -10.316 334 HG2 ARG 45 HG2 ARG 45 22.761 15.702 -9.377 335 HG3 ARG 45 HG3 ARG 45 24.195 15.258 -10.296 336 HD2 ARG 45 HD2 ARG 45 22.300 14.205 -11.928 337 HD3 ARG 45 HD3 ARG 45 21.332 15.454 -11.150 338 HE ARG 45 HE ARG 45 22.975 17.127 -11.901 339 HH11 ARG 45 HH11 ARG 45 23.328 13.985 -13.510 340 HH12 ARG 45 HH12 ARG 45 23.783 14.652 -15.024 341 HH21 ARG 45 HH21 ARG 45 23.897 17.971 -13.642 342 HH22 ARG 45 HH22 ARG 45 24.268 17.038 -15.081 343 H LYS 46 HN LYS 46 21.607 12.222 -6.018 344 HA LYS 46 HA LYS 46 22.330 9.499 -6.989 345 HB2 LYS 46 HB2 LYS 46 23.342 9.262 -4.767 346 HB3 LYS 46 HB3 LYS 46 23.757 10.890 -5.357 347 HG2 LYS 46 HG2 LYS 46 21.873 11.827 -4.110 348 HG3 LYS 46 HG3 LYS 46 21.503 10.254 -3.399 349 HD2 LYS 46 HD2 LYS 46 24.312 11.136 -3.115 350 HD3 LYS 46 HD3 LYS 46 23.096 12.098 -2.253 351 HE2 LYS 46 HE2 LYS 46 22.372 10.332 -0.925 352 HE3 LYS 46 HE3 LYS 46 23.014 9.088 -2.000 353 HZ1 LYS 46 HZ1 LYS 46 24.877 10.919 -0.651 354 HZ2 LYS 46 HZ2 LYS 46 25.147 9.429 -1.227 355 HZ3 LYS 46 HZ3 LYS 46 24.270 9.623 0.157 356 H LEU 47 HN LEU 47 19.655 10.527 -6.818 357 HA LEU 47 HA LEU 47 17.625 10.196 -6.151 358 HB2 LEU 47 HB2 LEU 47 18.836 7.541 -6.568 359 HB3 LEU 47 HB3 LEU 47 17.531 7.575 -5.449 360 HG LEU 47 HG LEU 47 17.533 8.112 -8.391 361 HD11 LEU 47 HD11 LEU 47 17.161 5.819 -7.567 362 HD12 LEU 47 HD12 LEU 47 15.739 6.461 -8.402 363 HD13 LEU 47 HD13 LEU 47 15.767 6.384 -6.620 364 HD21 LEU 47 HD21 LEU 47 16.275 9.926 -7.894 365 HD22 LEU 47 HD22 LEU 47 15.558 9.203 -6.454 366 HD23 LEU 47 HD23 LEU 47 15.029 8.694 -8.087 367 H ARG 48 HN ARG 48 16.184 9.911 -4.411 368 HA ARG 48 HA ARG 48 17.303 9.351 -1.733 369 HB2 ARG 48 HB2 ARG 48 17.534 11.917 -2.674 370 HB3 ARG 48 HB3 ARG 48 15.887 12.009 -2.061 371 HG2 ARG 48 HG2 ARG 48 18.324 11.043 -0.506 372 HG3 ARG 48 HG3 ARG 48 17.654 12.675 -0.411 373 HD2 ARG 48 HD2 ARG 48 15.647 11.936 0.637 374 HD3 ARG 48 HD3 ARG 48 16.003 10.242 0.265 375 HE ARG 48 HE ARG 48 18.005 11.549 1.936 376 HH11 ARG 48 HH11 ARG 48 14.975 9.633 1.887 377 HH12 ARG 48 HH12 ARG 48 15.347 8.825 3.369 378 HH21 ARG 48 HH21 ARG 48 18.306 10.637 4.081 379 HH22 ARG 48 HH22 ARG 48 17.050 9.623 4.714 380 H TYR 49 HN TYR 49 15.832 7.908 -1.037 381 HA TYR 49 HA TYR 49 13.290 7.536 -2.154 382 HB2 TYR 49 HB2 TYR 49 14.201 6.825 0.639 383 HB3 TYR 49 HB3 TYR 49 12.833 6.120 -0.233 384 HD1 TYR 49 HD2 TYR 49 14.774 6.084 -2.953 385 HD2 TYR 49 HD1 TYR 49 14.847 4.433 1.040 386 HE1 TYR 49 HE2 TYR 49 16.252 4.316 -3.726 387 HE2 TYR 49 HE1 TYR 49 16.297 2.593 0.244 388 HH TYR 49 HH TYR 49 16.849 1.481 -2.426 389 H SER 50 HN SER 50 11.384 8.378 -1.874 390 HA SER 50 HA SER 50 11.030 10.864 -0.442 391 HB2 SER 50 HB2 SER 50 9.279 9.046 -2.156 392 HB3 SER 50 HB3 SER 50 8.644 10.518 -1.403 393 HG SER 50 HG SER 50 9.791 10.522 -3.643 394 HA PRO 51 HA PRO 51 9.748 9.455 3.393 395 HB2 PRO 51 HB2 PRO 51 7.628 11.082 4.129 396 HB3 PRO 51 HB3 PRO 51 9.325 11.623 4.071 397 HG2 PRO 51 HG2 PRO 51 7.187 12.004 1.988 398 HG3 PRO 51 HG3 PRO 51 8.395 13.192 2.567 399 HD2 PRO 51 HD2 PRO 51 8.699 11.814 0.262 400 HD3 PRO 51 HD3 PRO 51 10.099 12.227 1.289 401 H TYR 52 HN TYR 52 7.262 9.470 0.884 402 HA TYR 52 HA TYR 52 5.294 8.292 2.559 403 HB2 TYR 52 HB2 TYR 52 5.118 8.723 -0.451 404 HB3 TYR 52 HB3 TYR 52 3.805 8.549 0.674 405 HD1 TYR 52 HD1 TYR 52 4.113 10.303 2.775 406 HD2 TYR 52 HD2 TYR 52 5.450 10.919 -1.273 407 HE1 TYR 52 HE1 TYR 52 4.149 12.676 3.177 408 HE2 TYR 52 HE2 TYR 52 5.436 13.358 -0.906 409 HH TYR 52 HH TYR 52 5.672 14.904 1.476 410 H LEU 53 HN LEU 53 7.803 6.630 1.755 411 HA LEU 53 HA LEU 53 6.396 4.154 1.057 412 HB2 LEU 53 HB2 LEU 53 7.760 5.881 -0.857 413 HB3 LEU 53 HB3 LEU 53 8.585 4.331 -0.774 414 HG LEU 53 HG LEU 53 5.569 4.612 -1.206 415 HD11 LEU 53 HD11 LEU 53 6.791 5.600 -3.085 416 HD12 LEU 53 HD12 LEU 53 6.039 4.081 -3.565 417 HD13 LEU 53 HD13 LEU 53 7.789 4.142 -3.244 418 HD21 LEU 53 HD21 LEU 53 7.490 2.282 -1.506 419 HD22 LEU 53 HD22 LEU 53 5.788 2.266 -2.050 420 HD23 LEU 53 HD23 LEU 53 6.153 2.412 -0.334 421 H LYS 54 HN LYS 54 7.215 2.857 2.721 422 HA LYS 54 HA LYS 54 10.152 2.647 2.889 423 HB2 LYS 54 HB2 LYS 54 8.453 3.276 5.344 424 HB3 LYS 54 HB3 LYS 54 10.101 2.643 5.386 425 HG2 LYS 54 HG2 LYS 54 10.669 4.697 3.870 426 HG3 LYS 54 HG3 LYS 54 9.158 5.367 4.491 427 HD2 LYS 54 HD2 LYS 54 11.731 4.674 5.934 428 HD3 LYS 54 HD3 LYS 54 10.941 6.223 5.787 429 HE2 LYS 54 HE2 LYS 54 10.443 5.736 7.959 430 HE3 LYS 54 HE3 LYS 54 8.989 5.138 7.177 431 HZ1 LYS 54 HZ1 LYS 54 9.847 2.895 7.406 432 HZ2 LYS 54 HZ2 LYS 54 9.949 3.640 8.839 433 HZ3 LYS 54 HZ3 LYS 54 11.319 3.445 7.917 434 HA PRO 55 HA PRO 55 9.164 -1.637 3.269 435 HB2 PRO 55 HB2 PRO 55 11.500 -2.691 4.279 436 HB3 PRO 55 HB3 PRO 55 11.365 -2.005 2.635 437 HG2 PRO 55 HG2 PRO 55 12.391 -0.616 5.107 438 HG3 PRO 55 HG3 PRO 55 13.160 -0.724 3.488 439 HD2 PRO 55 HD2 PRO 55 11.708 1.448 4.157 440 HD3 PRO 55 HD3 PRO 55 11.554 0.727 2.525 441 H ARG 56 HN ARG 56 8.948 -3.437 4.780 442 HA ARG 56 HA ARG 56 9.378 -2.908 7.654 443 HB2 ARG 56 HB2 ARG 56 6.759 -3.479 6.277 444 HB3 ARG 56 HB3 ARG 56 7.048 -4.411 7.719 445 HG2 ARG 56 HG2 ARG 56 7.558 -2.373 9.028 446 HG3 ARG 56 HG3 ARG 56 7.224 -1.382 7.624 447 HD2 ARG 56 HD2 ARG 56 4.955 -2.282 7.536 448 HD3 ARG 56 HD3 ARG 56 5.309 -3.373 8.867 449 HE ARG 56 HE ARG 56 5.094 -1.738 10.399 450 HH11 ARG 56 HH11 ARG 56 5.230 -0.251 7.187 451 HH12 ARG 56 HH12 ARG 56 4.593 1.298 7.731 452 HH21 ARG 56 HH21 ARG 56 4.428 0.361 11.130 453 HH22 ARG 56 HH22 ARG 56 4.356 1.695 10.032 454 H VAL 57 HN VAL 57 8.588 -5.227 8.661 455 HA VAL 57 HA VAL 57 8.982 -7.432 6.844 456 HB VAL 57 HB VAL 57 10.078 -7.462 9.706 457 HG11 VAL 57 HG11 VAL 57 9.832 -9.692 7.648 458 HG12 VAL 57 HG12 VAL 57 10.702 -9.822 9.198 459 HG13 VAL 57 HG13 VAL 57 8.954 -9.574 9.197 460 HG21 VAL 57 HG21 VAL 57 11.706 -6.464 8.145 461 HG22 VAL 57 HG22 VAL 57 12.244 -8.063 8.664 462 HG23 VAL 57 HG23 VAL 57 11.527 -7.846 7.050 463 H ILE 58 HN ILE 58 7.089 -8.508 6.883 464 HA ILE 58 HA ILE 58 5.274 -8.350 9.234 465 HB ILE 58 HB ILE 58 4.481 -8.399 6.287 466 HG12 ILE 58 HG12 ILE 58 5.259 -6.124 6.942 467 HG13 ILE 58 HG13 ILE 58 3.588 -6.215 6.451 468 HG21 ILE 58 HG21 ILE 58 2.789 -8.467 8.801 469 HG22 ILE 58 HG22 ILE 58 2.149 -8.130 7.178 470 HG23 ILE 58 HG23 ILE 58 2.904 -9.687 7.525 471 HD11 ILE 58 HD11 ILE 58 2.882 -6.191 8.861 472 HD12 ILE 58 HD12 ILE 58 4.588 -5.978 9.317 473 HD13 ILE 58 HD13 ILE 58 3.745 -4.750 8.346 474 H GLU 59 HN GLU 59 5.424 -10.458 10.015 475 HA GLU 59 HA GLU 59 5.792 -12.704 10.102 476 HB2 GLU 59 HB2 GLU 59 4.120 -12.694 7.566 477 HB3 GLU 59 HB3 GLU 59 4.360 -14.036 8.682 478 HG2 GLU 59 HG2 GLU 59 3.348 -12.655 10.514 479 HG3 GLU 59 HG3 GLU 59 2.945 -11.434 9.303 480 H GLY 60 HN GLY 60 7.871 -11.205 8.498 481 HA2 GLY 60 HA2 GLY 60 9.974 -12.031 7.773 482 HA3 GLY 60 HA1 GLY 60 9.240 -13.572 7.335 483 H VAL 61 HN VAL 61 7.093 -11.437 6.055 484 HA VAL 61 HA VAL 61 8.316 -11.395 3.397 485 HB VAL 61 HB VAL 61 5.726 -10.040 4.225 486 HG11 VAL 61 HG11 VAL 61 5.175 -10.638 1.838 487 HG12 VAL 61 HG12 VAL 61 6.556 -9.527 1.998 488 HG13 VAL 61 HG13 VAL 61 6.840 -11.224 1.639 489 HG21 VAL 61 HG21 VAL 61 4.496 -12.089 3.665 490 HG22 VAL 61 HG22 VAL 61 6.053 -12.986 3.589 491 HG23 VAL 61 HG23 VAL 61 5.468 -12.284 5.103 492 H ARG 62 HN ARG 62 9.095 -9.504 2.488 493 HA ARG 62 HA ARG 62 10.000 -7.330 4.052 494 HB2 ARG 62 HB2 ARG 62 9.417 -7.416 1.059 495 HB3 ARG 62 HB3 ARG 62 10.461 -6.272 1.883 496 HG2 ARG 62 HG2 ARG 62 11.839 -8.415 2.604 497 HG3 ARG 62 HG3 ARG 62 10.868 -9.240 1.395 498 HD2 ARG 62 HD2 ARG 62 11.548 -7.440 -0.242 499 HD3 ARG 62 HD3 ARG 62 12.596 -6.768 1.001 500 HE ARG 62 HE ARG 62 12.844 -9.622 0.253 501 HH11 ARG 62 HH11 ARG 62 14.469 -6.521 0.708 502 HH12 ARG 62 HH12 ARG 62 15.765 -6.809 -0.410 503 HH21 ARG 62 HH21 ARG 62 14.937 -10.166 -0.976 504 HH22 ARG 62 HH22 ARG 62 15.861 -8.799 -1.550 505 H CYS 63 HN CYS 63 7.496 -7.107 1.550 506 HA CYS 63 HA CYS 63 5.683 -5.807 1.225 507 HB2 CYS 63 HB2 CYS 63 5.621 -5.217 4.201 508 HB3 CYS 63 HB3 CYS 63 4.293 -5.106 3.041 509 HG CYS 63 HG CYS 63 4.106 -7.176 4.751 510 H LEU 64 HN LEU 64 4.881 -3.434 1.418 511 HA LEU 64 HA LEU 64 7.032 -1.535 2.121 512 HB2 LEU 64 HB2 LEU 64 6.331 -2.260 -0.585 513 HB3 LEU 64 HB3 LEU 64 5.800 -0.589 -0.263 514 HG LEU 64 HG LEU 64 8.517 -1.776 -0.183 515 HD11 LEU 64 HD11 LEU 64 7.088 0.166 -2.004 516 HD12 LEU 64 HD12 LEU 64 7.763 -1.414 -2.395 517 HD13 LEU 64 HD13 LEU 64 8.856 -0.063 -2.033 518 HD21 LEU 64 HD21 LEU 64 7.639 1.003 0.674 519 HD22 LEU 64 HD22 LEU 64 9.298 0.671 0.115 520 HD23 LEU 64 HD23 LEU 64 8.672 -0.189 1.506 521 H ALA 65 HN ALA 65 6.156 0.204 3.082 522 HA ALA 65 HA ALA 65 3.246 0.326 3.501 523 HB1 ALA 65 HB1 ALA 65 3.969 2.286 4.952 524 HB2 ALA 65 HB2 ALA 65 4.448 0.676 5.480 525 HB3 ALA 65 HB3 ALA 65 5.637 1.760 4.694 526 H VAL 66 HN VAL 66 2.034 1.906 2.457 527 HA VAL 66 HA VAL 66 3.334 3.965 0.714 528 HB VAL 66 HB VAL 66 0.499 2.937 0.616 529 HG11 VAL 66 HG11 VAL 66 2.042 4.677 -1.334 530 HG12 VAL 66 HG12 VAL 66 0.344 4.167 -1.460 531 HG13 VAL 66 HG13 VAL 66 0.827 5.280 -0.175 532 HG21 VAL 66 HG21 VAL 66 1.987 1.136 -0.088 533 HG22 VAL 66 HG22 VAL 66 1.186 1.844 -1.483 534 HG23 VAL 66 HG23 VAL 66 2.890 2.266 -1.128 535 H ASP 67 HN ASP 67 3.189 5.939 1.915 536 HA ASP 67 HA ASP 67 1.604 6.236 4.388 537 HB2 ASP 67 HB2 ASP 67 3.908 7.294 3.988 538 HB3 ASP 67 HB3 ASP 67 3.130 8.272 2.751 539 H LEU 68 HN LEU 68 -0.397 7.169 4.615 540 HA LEU 68 HA LEU 68 -1.893 7.701 2.228 541 HB2 LEU 68 HB2 LEU 68 -2.498 7.383 5.050 542 HB3 LEU 68 HB3 LEU 68 -3.222 8.876 4.496 543 HG LEU 68 HG LEU 68 -3.557 6.096 3.459 544 HD11 LEU 68 HD11 LEU 68 -4.750 6.612 5.520 545 HD12 LEU 68 HD12 LEU 68 -5.935 6.450 4.221 546 HD13 LEU 68 HD13 LEU 68 -5.486 8.065 4.801 547 HD21 LEU 68 HD21 LEU 68 -3.833 7.528 1.458 548 HD22 LEU 68 HD22 LEU 68 -4.955 8.584 2.351 549 HD23 LEU 68 HD23 LEU 68 -5.393 6.895 1.988 550 H LYS 69 HN LYS 69 0.165 9.668 4.251 551 HA LYS 69 HA LYS 69 -0.964 12.215 3.805 552 HB2 LYS 69 HB2 LYS 69 1.068 11.615 5.250 553 HB3 LYS 69 HB3 LYS 69 2.037 11.690 3.793 554 HG2 LYS 69 HG2 LYS 69 0.199 13.959 4.648 555 HG3 LYS 69 HG3 LYS 69 1.719 13.743 5.487 556 HD2 LYS 69 HD2 LYS 69 3.018 14.396 3.754 557 HD3 LYS 69 HD3 LYS 69 1.962 13.776 2.501 558 HE2 LYS 69 HE2 LYS 69 1.694 16.368 4.032 559 HE3 LYS 69 HE3 LYS 69 2.034 16.068 2.314 560 HZ1 LYS 69 HZ1 LYS 69 -0.213 15.069 2.189 561 HZ2 LYS 69 HZ2 LYS 69 -0.080 16.714 2.363 562 HZ3 LYS 69 HZ3 LYS 69 -0.553 15.787 3.638 563 H LEU 70 HN LEU 70 0.961 10.173 1.580 564 HA LEU 70 HA LEU 70 1.540 12.094 -0.410 565 HB2 LEU 70 HB2 LEU 70 2.484 9.946 -0.643 566 HB3 LEU 70 HB3 LEU 70 0.937 9.148 -0.662 567 HG LEU 70 HG LEU 70 1.956 9.288 -2.939 568 HD11 LEU 70 HD11 LEU 70 -0.559 9.485 -2.542 569 HD12 LEU 70 HD12 LEU 70 0.217 9.488 -4.139 570 HD13 LEU 70 HD13 LEU 70 -0.294 10.999 -3.405 571 HD21 LEU 70 HD21 LEU 70 1.743 12.256 -2.936 572 HD22 LEU 70 HD22 LEU 70 2.580 11.142 -4.066 573 HD23 LEU 70 HD23 LEU 70 3.223 11.404 -2.451 574 H LYS 71 HN LYS 71 -1.444 10.199 0.257 575 HA LYS 71 HA LYS 71 -2.802 10.768 -2.184 576 HB2 LYS 71 HB2 LYS 71 -3.270 8.920 -0.563 577 HB3 LYS 71 HB3 LYS 71 -3.851 10.138 0.594 578 HG2 LYS 71 HG2 LYS 71 -5.820 9.470 -0.118 579 HG3 LYS 71 HG3 LYS 71 -5.613 10.751 -1.261 580 HD2 LYS 71 HD2 LYS 71 -5.642 9.382 -3.020 581 HD3 LYS 71 HD3 LYS 71 -4.443 8.280 -2.343 582 HE2 LYS 71 HE2 LYS 71 -7.415 8.359 -1.669 583 HE3 LYS 71 HE3 LYS 71 -6.631 7.188 -2.742 584 HZ1 LYS 71 HZ1 LYS 71 -5.939 7.522 0.112 585 HZ2 LYS 71 HZ2 LYS 71 -5.415 6.321 -0.894 586 HZ3 LYS 71 HZ3 LYS 71 -7.005 6.423 -0.408 587 H ASP 72 HN ASP 72 -2.254 12.807 0.562 588 HA ASP 72 HA ASP 72 -4.541 14.583 0.124 589 HB2 ASP 72 HB2 ASP 72 -3.149 14.037 2.280 590 HB3 ASP 72 HB3 ASP 72 -1.993 15.168 1.609 591 H THR 73 HN THR 73 -1.222 14.209 -1.030 592 HA THR 73 HA THR 73 -1.176 16.932 -2.154 593 HB THR 73 HB THR 73 0.444 16.498 -0.347 594 HG1 THR 73 HG1 THR 73 1.100 17.951 -1.864 595 HG21 THR 73 HG21 THR 73 1.685 14.397 -2.127 596 HG22 THR 73 HG22 THR 73 0.941 14.189 -0.508 597 HG23 THR 73 HG23 THR 73 2.413 15.123 -0.689 598 H ASN 74 HN ASN 74 -0.409 13.506 -3.131 599 HA ASN 74 HA ASN 74 -0.779 14.386 -5.958 600 HB2 ASN 74 HB2 ASN 74 1.782 14.342 -5.337 601 HB3 ASN 74 HB3 ASN 74 1.597 12.661 -5.230 602 HD21 ASN 74 HD21 ASN 74 2.313 11.642 -7.013 603 HD22 ASN 74 HD22 ASN 74 1.911 12.032 -8.660 604 HA PRO 75 HA PRO 75 -2.482 10.403 -4.327 605 HB2 PRO 75 HB2 PRO 75 -5.152 10.581 -5.215 606 HB3 PRO 75 HB3 PRO 75 -4.514 11.364 -3.747 607 HG2 PRO 75 HG2 PRO 75 -4.854 12.599 -6.490 608 HG3 PRO 75 HG3 PRO 75 -5.358 13.270 -4.904 609 HD2 PRO 75 HD2 PRO 75 -3.067 14.060 -6.036 610 HD3 PRO 75 HD3 PRO 75 -3.169 13.772 -4.271 611 H GLU 76 HN GLU 76 -2.333 11.449 -7.530 612 HA GLU 76 HA GLU 76 -3.121 9.292 -9.155 613 HB2 GLU 76 HB2 GLU 76 -2.311 11.649 -9.692 614 HB3 GLU 76 HB3 GLU 76 -0.679 11.145 -9.275 615 HG2 GLU 76 HG2 GLU 76 -0.860 9.401 -11.116 616 HG3 GLU 76 HG3 GLU 76 -2.412 10.155 -11.548 617 H GLY 77 HN GLY 77 -0.030 9.897 -7.415 618 HA2 GLY 77 HA2 GLY 77 1.321 7.525 -8.250 619 HA3 GLY 77 HA1 GLY 77 1.671 8.458 -6.781 620 H PHE 78 HN PHE 78 -0.744 8.198 -5.439 621 HA PHE 78 HA PHE 78 -0.561 5.670 -4.098 622 HB2 PHE 78 HB2 PHE 78 -1.263 7.690 -3.130 623 HB3 PHE 78 HB3 PHE 78 -2.742 7.735 -4.024 624 HD1 PHE 78 HD2 PHE 78 -4.154 5.302 -3.694 625 HD2 PHE 78 HD1 PHE 78 -1.238 7.001 -0.981 626 HE1 PHE 78 HE2 PHE 78 -5.031 3.901 -1.849 627 HE2 PHE 78 HE1 PHE 78 -2.165 5.660 0.839 628 HZ PHE 78 HZ PHE 78 -4.029 4.090 0.416 629 H ASN 79 HN ASN 79 -2.882 6.925 -6.514 630 HA ASN 79 HA ASN 79 -4.590 4.668 -6.742 631 HB2 ASN 79 HB2 ASN 79 -3.789 6.962 -8.492 632 HB3 ASN 79 HB3 ASN 79 -4.748 5.697 -9.230 633 HD21 ASN 79 HD21 ASN 79 -5.547 8.340 -9.122 634 HD22 ASN 79 HD22 ASN 79 -6.930 8.475 -8.079 635 H GLN 80 HN GLN 80 -1.556 5.461 -8.533 636 HA GLN 80 HA GLN 80 -1.651 3.068 -10.149 637 HB2 GLN 80 HB2 GLN 80 0.513 5.105 -9.488 638 HB3 GLN 80 HB3 GLN 80 0.778 3.721 -10.565 639 HG2 GLN 80 HG2 GLN 80 -0.993 4.448 -12.067 640 HG3 GLN 80 HG3 GLN 80 -1.475 5.743 -10.972 641 HE21 GLN 80 HE21 GLN 80 -1.237 7.247 -12.765 642 HE22 GLN 80 HE22 GLN 80 0.375 7.823 -13.151 643 H LEU 81 HN LEU 81 -0.068 3.907 -7.044 644 HA LEU 81 HA LEU 81 1.328 1.564 -6.629 645 HB2 LEU 81 HB2 LEU 81 0.708 3.833 -5.079 646 HB3 LEU 81 HB3 LEU 81 -0.063 2.542 -4.179 647 HG LEU 81 HG LEU 81 2.338 2.834 -3.425 648 HD11 LEU 81 HD11 LEU 81 2.823 0.712 -3.214 649 HD12 LEU 81 HD12 LEU 81 2.199 0.253 -4.842 650 HD13 LEU 81 HD13 LEU 81 1.096 0.640 -3.517 651 HD21 LEU 81 HD21 LEU 81 4.085 3.076 -4.572 652 HD22 LEU 81 HD22 LEU 81 2.918 3.906 -5.585 653 HD23 LEU 81 HD23 LEU 81 3.426 2.274 -6.053 654 H MET 82 HN MET 82 -2.129 2.155 -5.888 655 HA MET 82 HA MET 82 -2.554 -0.441 -4.768 656 HB2 MET 82 HB2 MET 82 -4.544 1.460 -6.095 657 HB3 MET 82 HB3 MET 82 -4.976 0.039 -5.135 658 HG2 MET 82 HG2 MET 82 -3.485 2.515 -4.190 659 HG3 MET 82 HG3 MET 82 -5.109 2.074 -3.729 660 HE1 MET 82 HE1 MET 82 -4.731 -0.519 -1.000 661 HE2 MET 82 HE2 MET 82 -5.741 0.709 -1.775 662 HE3 MET 82 HE3 MET 82 -5.253 -0.757 -2.690 663 H HIS 83 HN HIS 83 -2.633 0.709 -8.134 664 HA HIS 83 HA HIS 83 -3.802 -1.681 -9.191 665 HB2 HIS 83 HB2 HIS 83 -3.726 0.569 -10.284 666 HB3 HIS 83 HB3 HIS 83 -2.006 0.332 -10.607 667 HD1 HIS 83 HD1 HIS 83 -2.144 0.113 -13.253 668 HD2 HIS 83 HD2 HIS 83 -4.714 -2.430 -11.084 669 HE1 HIS 83 HE1 HIS 83 -3.102 -1.552 -14.922 670 H PHE 84 HN PHE 84 -0.471 -0.581 -8.685 671 HA PHE 84 HA PHE 84 0.968 -2.640 -9.920 672 HB2 PHE 84 HB2 PHE 84 1.957 -0.617 -8.896 673 HB3 PHE 84 HB3 PHE 84 1.557 -1.215 -7.304 674 HD1 PHE 84 HD1 PHE 84 3.446 -2.212 -10.366 675 HD2 PHE 84 HD2 PHE 84 3.103 -2.494 -6.084 676 HE1 PHE 84 HE1 PHE 84 5.687 -3.301 -10.255 677 HE2 PHE 84 HE2 PHE 84 5.368 -3.475 -5.968 678 HZ PHE 84 HZ PHE 84 6.636 -3.945 -8.000 679 H ALA 85 HN ALA 85 -0.373 -2.622 -6.600 680 HA ALA 85 HA ALA 85 0.374 -5.229 -5.872 681 HB1 ALA 85 HB1 ALA 85 -2.206 -3.794 -5.115 682 HB2 ALA 85 HB2 ALA 85 -1.445 -5.143 -4.248 683 HB3 ALA 85 HB3 ALA 85 -0.628 -3.568 -4.353 684 H THR 86 HN THR 86 -2.816 -4.254 -7.334 685 HA THR 86 HA THR 86 -3.836 -6.840 -7.603 686 HB THR 86 HB THR 86 -4.317 -4.321 -9.235 687 HG1 THR 86 HG1 THR 86 -6.022 -4.121 -7.845 688 HG21 THR 86 HG21 THR 86 -5.144 -6.219 -10.574 689 HG22 THR 86 HG22 THR 86 -6.507 -5.352 -9.856 690 HG23 THR 86 HG23 THR 86 -5.965 -6.897 -9.157 691 H GLU 87 HN GLU 87 -1.806 -5.002 -9.981 692 HA GLU 87 HA GLU 87 -2.088 -6.849 -12.088 693 HB2 GLU 87 HB2 GLU 87 -0.167 -4.658 -11.277 694 HB3 GLU 87 HB3 GLU 87 0.197 -5.626 -12.695 695 HG2 GLU 87 HG2 GLU 87 -2.513 -4.287 -12.313 696 HG3 GLU 87 HG3 GLU 87 -1.125 -3.392 -12.976 697 H ASN 88 HN ASN 88 0.151 -6.745 -9.353 698 HA ASN 88 HA ASN 88 1.713 -9.014 -10.450 699 HB2 ASN 88 HB2 ASN 88 2.176 -7.230 -8.043 700 HB3 ASN 88 HB3 ASN 88 3.149 -8.653 -8.420 701 HD21 ASN 88 HD21 ASN 88 2.251 -5.409 -9.570 702 HD22 ASN 88 HD22 ASN 88 3.528 -5.270 -10.750 703 H GLN 89 HN GLN 89 -1.175 -8.874 -9.063 704 HA GLN 89 HA GLN 89 -2.510 -10.161 -7.888 705 HB2 GLN 89 HB2 GLN 89 -0.511 -12.435 -8.017 706 HB3 GLN 89 HB3 GLN 89 -2.268 -12.516 -7.888 707 HG2 GLN 89 HG2 GLN 89 -0.607 -11.739 -10.299 708 HG3 GLN 89 HG3 GLN 89 -1.635 -13.159 -10.057 709 HE21 GLN 89 HE21 GLN 89 -1.633 -10.106 -11.616 710 HE22 GLN 89 HE22 GLN 89 -3.350 -9.933 -11.748 711 H LEU 90 HN LEU 90 -0.640 -8.526 -6.419 712 HA LEU 90 HA LEU 90 0.269 -10.105 -4.099 713 HB2 LEU 90 HB2 LEU 90 0.500 -7.147 -4.767 714 HB3 LEU 90 HB3 LEU 90 1.207 -7.909 -3.342 715 HG LEU 90 HG LEU 90 1.897 -8.675 -6.217 716 HD11 LEU 90 HD11 LEU 90 2.663 -6.371 -5.701 717 HD12 LEU 90 HD12 LEU 90 3.978 -7.511 -5.960 718 HD13 LEU 90 HD13 LEU 90 3.562 -7.028 -4.296 719 HD21 LEU 90 HD21 LEU 90 2.332 -10.534 -4.724 720 HD22 LEU 90 HD22 LEU 90 3.128 -9.464 -3.547 721 HD23 LEU 90 HD23 LEU 90 3.862 -9.766 -5.139 722 H ASN 91 HN ASN 91 -0.274 -9.498 -1.968 723 HA ASN 91 HA ASN 91 -3.154 -8.973 -1.608 724 HB2 ASN 91 HB2 ASN 91 -1.712 -10.834 -0.518 725 HB3 ASN 91 HB3 ASN 91 -1.017 -9.543 0.470 726 HD21 ASN 91 HD21 ASN 91 -1.899 -11.139 2.118 727 HD22 ASN 91 HD22 ASN 91 -3.615 -11.022 2.511 728 H ILE 92 HN ILE 92 -3.893 -7.306 -0.013 729 HA ILE 92 HA ILE 92 -2.052 -4.959 0.202 730 HB ILE 92 HB ILE 92 -4.999 -5.041 -0.544 731 HG12 ILE 92 HG12 ILE 92 -2.561 -4.114 -2.125 732 HG13 ILE 92 HG13 ILE 92 -3.496 -5.574 -2.425 733 HG21 ILE 92 HG21 ILE 92 -3.476 -2.454 -0.502 734 HG22 ILE 92 HG22 ILE 92 -5.216 -2.765 -0.446 735 HG23 ILE 92 HG23 ILE 92 -4.264 -3.058 0.996 736 HD11 ILE 92 HD11 ILE 92 -4.282 -4.053 -4.035 737 HD12 ILE 92 HD12 ILE 92 -5.537 -4.028 -2.779 738 HD13 ILE 92 HD13 ILE 92 -4.344 -2.714 -2.882 739 H LEU 93 HN LEU 93 -1.512 -5.019 2.357 740 HA LEU 93 HA LEU 93 -3.607 -5.703 4.346 741 HB2 LEU 93 HB2 LEU 93 -0.588 -5.560 4.383 742 HB3 LEU 93 HB3 LEU 93 -1.474 -5.308 5.857 743 HG LEU 93 HG LEU 93 -2.385 -7.492 5.867 744 HD11 LEU 93 HD11 LEU 93 -2.992 -7.906 3.574 745 HD12 LEU 93 HD12 LEU 93 -1.945 -9.194 4.140 746 HD13 LEU 93 HD13 LEU 93 -1.281 -7.930 3.075 747 HD21 LEU 93 HD21 LEU 93 -0.016 -7.228 6.556 748 HD22 LEU 93 HD22 LEU 93 0.510 -7.606 4.904 749 HD23 LEU 93 HD23 LEU 93 -0.306 -8.841 5.891 750 H ASP 94 HN ASP 94 -3.731 -4.243 6.241 751 HA ASP 94 HA ASP 94 -3.370 -1.382 5.533 752 HB2 ASP 94 HB2 ASP 94 -4.916 -0.862 7.122 753 HB3 ASP 94 HB3 ASP 94 -5.590 -2.354 6.491 754 H ALA 95 HN ALA 95 -3.108 -0.321 7.956 755 HA ALA 95 HA ALA 95 -0.356 -0.482 8.670 756 HB1 ALA 95 HB1 ALA 95 -1.691 1.521 9.119 757 HB2 ALA 95 HB2 ALA 95 -2.735 0.602 10.237 758 HB3 ALA 95 HB3 ALA 95 -1.026 0.886 10.632 759 H GLU 96 HN GLU 96 -3.278 -2.152 10.071 760 HA GLU 96 HA GLU 96 -1.847 -3.266 12.311 761 HB2 GLU 96 HB2 GLU 96 -4.393 -4.229 10.960 762 HB3 GLU 96 HB3 GLU 96 -3.760 -4.761 12.501 763 HG2 GLU 96 HG2 GLU 96 -3.939 -2.077 12.981 764 HG3 GLU 96 HG3 GLU 96 -5.243 -2.293 11.793 765 H GLY 97 HN GLY 97 -2.491 -4.256 8.989 766 HA2 GLY 97 HA2 GLY 97 -1.080 -5.905 7.863 767 HA3 GLY 97 HA1 GLY 97 -0.890 -6.756 9.399 768 H ASN 98 HN ASN 98 -4.012 -5.365 8.422 769 HA ASN 98 HA ASN 98 -5.161 -8.098 8.136 770 HB2 ASN 98 HB2 ASN 98 -6.575 -5.436 8.382 771 HB3 ASN 98 HB3 ASN 98 -7.284 -7.043 8.576 772 HD21 ASN 98 HD21 ASN 98 -7.499 -4.894 10.586 773 HD22 ASN 98 HD22 ASN 98 -6.563 -5.343 11.956 774 H SER 99 HN SER 99 -5.962 -8.749 6.103 775 HA SER 99 HA SER 99 -5.198 -7.151 3.843 776 HB2 SER 99 HB2 SER 99 -6.274 -9.040 2.507 777 HB3 SER 99 HB3 SER 99 -4.809 -9.352 3.448 778 HG SER 99 HG SER 99 -5.954 -10.387 4.974 779 H ILE 100 HN ILE 100 -6.243 -5.406 3.291 780 HA ILE 100 HA ILE 100 -9.210 -5.258 3.458 781 HB ILE 100 HB ILE 100 -8.811 -2.797 3.285 782 HG12 ILE 100 HG12 ILE 100 -5.876 -3.431 3.853 783 HG13 ILE 100 HG13 ILE 100 -6.493 -2.992 2.257 784 HG21 ILE 100 HG21 ILE 100 -7.487 -4.166 5.664 785 HG22 ILE 100 HG22 ILE 100 -8.242 -2.561 5.649 786 HG23 ILE 100 HG23 ILE 100 -9.235 -3.998 5.410 787 HD11 ILE 100 HD11 ILE 100 -6.593 -1.243 4.747 788 HD12 ILE 100 HD12 ILE 100 -5.595 -1.016 3.297 789 HD13 ILE 100 HD13 ILE 100 -7.364 -0.858 3.201 790 H ASP 101 HN ASP 101 -10.175 -3.798 1.770 791 HA ASP 101 HA ASP 101 -9.253 -4.395 -0.984 792 HB2 ASP 101 HB2 ASP 101 -11.751 -3.228 0.245 793 HB3 ASP 101 HB3 ASP 101 -11.327 -2.716 -1.365 794 H ALA 102 HN ALA 102 -9.131 -2.555 -2.419 795 HA ALA 102 HA ALA 102 -7.667 -0.228 -1.288 796 HB1 ALA 102 HB1 ALA 102 -7.104 -1.335 -3.542 797 HB2 ALA 102 HB2 ALA 102 -8.664 -0.716 -4.126 798 HB3 ALA 102 HB3 ALA 102 -7.404 0.426 -3.607 799 H ALA 103 HN ALA 103 -10.889 -1.088 -2.533 800 HA ALA 103 HA ALA 103 -12.069 1.416 -2.917 801 HB1 ALA 103 HB1 ALA 103 -13.302 -1.037 -1.563 802 HB2 ALA 103 HB2 ALA 103 -14.166 0.297 -2.354 803 HB3 ALA 103 HB3 ALA 103 -13.154 -0.798 -3.330 804 H GLN 104 HN GLN 104 -11.485 -0.374 0.091 805 HA GLN 104 HA GLN 104 -12.720 1.495 1.879 806 HB2 GLN 104 HB2 GLN 104 -10.633 -0.680 2.348 807 HB3 GLN 104 HB3 GLN 104 -11.565 0.136 3.603 808 HG2 GLN 104 HG2 GLN 104 -13.418 -0.950 1.650 809 HG3 GLN 104 HG3 GLN 104 -12.263 -2.191 2.113 810 HE21 GLN 104 HE21 GLN 104 -12.622 -3.255 3.949 811 HE22 GLN 104 HE22 GLN 104 -13.615 -2.704 5.303 812 H VAL 105 HN VAL 105 -10.103 2.183 -0.016 813 HA VAL 105 HA VAL 105 -8.869 3.889 2.054 814 HB VAL 105 HB VAL 105 -7.184 2.559 -0.041 815 HG11 VAL 105 HG11 VAL 105 -6.787 4.118 2.543 816 HG12 VAL 105 HG12 VAL 105 -5.500 3.179 1.821 817 HG13 VAL 105 HG13 VAL 105 -6.234 4.484 0.884 818 HG21 VAL 105 HG21 VAL 105 -7.747 1.485 2.751 819 HG22 VAL 105 HG22 VAL 105 -8.079 0.679 1.182 820 HG23 VAL 105 HG23 VAL 105 -6.427 0.950 1.684 821 H THR 106 HN THR 106 -9.491 3.411 -1.480 822 HA THR 106 HA THR 106 -8.231 5.957 -2.016 823 HB THR 106 HB THR 106 -9.104 5.521 -4.335 824 HG1 THR 106 HG1 THR 106 -10.694 3.988 -3.663 825 HG21 THR 106 HG21 THR 106 -7.358 3.836 -4.803 826 HG22 THR 106 HG22 THR 106 -7.147 3.591 -3.057 827 HG23 THR 106 HG23 THR 106 -6.788 5.161 -3.834 828 H GLU 107 HN GLU 107 -11.209 5.490 -0.597 829 HA GLU 107 HA GLU 107 -12.392 7.793 -2.048 830 HB2 GLU 107 HB2 GLU 107 -13.845 5.481 -0.675 831 HB3 GLU 107 HB3 GLU 107 -14.563 6.812 -1.583 832 HG2 GLU 107 HG2 GLU 107 -13.317 6.004 -3.631 833 HG3 GLU 107 HG3 GLU 107 -12.795 4.597 -2.714 834 H ILE 108 HN ILE 108 -10.955 7.087 0.728 835 HA ILE 108 HA ILE 108 -12.590 8.321 2.714 836 HB ILE 108 HB ILE 108 -9.557 8.190 2.797 837 HG12 ILE 108 HG12 ILE 108 -11.580 6.037 3.596 838 HG13 ILE 108 HG13 ILE 108 -10.345 5.935 2.345 839 HG21 ILE 108 HG21 ILE 108 -11.582 8.198 5.087 840 HG22 ILE 108 HG22 ILE 108 -9.809 8.299 5.216 841 HG23 ILE 108 HG23 ILE 108 -10.713 9.640 4.508 842 HD11 ILE 108 HD11 ILE 108 -8.569 6.108 4.088 843 HD12 ILE 108 HD12 ILE 108 -9.838 6.006 5.340 844 HD13 ILE 108 HD13 ILE 108 -9.591 4.665 4.230 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -18.173 -12.538 0.420 2 HA2 GLY 1 HA2 GLY 1 -18.391 -9.707 1.238 3 HA3 GLY 1 HA1 GLY 1 -19.764 -10.838 1.274 4 H MET 2 HN MET 2 -16.512 -10.200 2.651 5 HA MET 2 HA MET 2 -16.927 -12.322 4.672 6 HB2 MET 2 HB2 MET 2 -14.523 -10.758 3.665 7 HB3 MET 2 HB3 MET 2 -14.467 -11.700 5.155 8 HG2 MET 2 HG2 MET 2 -13.602 -12.987 3.286 9 HG3 MET 2 HG3 MET 2 -15.022 -13.726 4.007 10 HE1 MET 2 HE1 MET 2 -15.599 -15.086 0.551 11 HE2 MET 2 HE2 MET 2 -13.981 -14.862 1.269 12 HE3 MET 2 HE3 MET 2 -15.342 -15.361 2.290 13 H GLY 3 HN GLY 3 -15.174 -9.243 5.102 14 HA2 GLY 3 HA2 GLY 3 -16.897 -8.400 7.335 15 HA3 GLY 3 HA1 GLY 3 -15.266 -8.987 7.720 16 H THR 4 HN THR 4 -14.558 -6.879 8.414 17 HA THR 4 HA THR 4 -13.846 -4.729 8.219 18 HB THR 4 HB THR 4 -12.134 -4.559 6.344 19 HG1 THR 4 HG1 THR 4 -12.340 -5.958 4.827 20 HG21 THR 4 HG21 THR 4 -12.040 -7.034 8.140 21 HG22 THR 4 HG22 THR 4 -11.626 -5.376 8.631 22 HG23 THR 4 HG23 THR 4 -10.657 -6.202 7.399 23 H THR 5 HN THR 5 -16.185 -4.198 7.928 24 HA THR 5 HA THR 5 -16.375 -2.283 5.694 25 HB THR 5 HB THR 5 -18.938 -2.813 5.786 26 HG1 THR 5 HG1 THR 5 -18.307 -5.459 6.000 27 HG21 THR 5 HG21 THR 5 -16.968 -4.607 4.331 28 HG22 THR 5 HG22 THR 5 -17.561 -3.022 3.805 29 HG23 THR 5 HG23 THR 5 -18.689 -4.381 3.919 30 H GLU 6 HN GLU 6 -15.296 -1.777 8.055 31 HA GLU 6 HA GLU 6 -17.206 0.156 9.243 32 HB2 GLU 6 HB2 GLU 6 -14.838 -1.213 10.595 33 HB3 GLU 6 HB3 GLU 6 -15.763 0.126 11.281 34 HG2 GLU 6 HG2 GLU 6 -17.755 -1.230 11.468 35 HG3 GLU 6 HG3 GLU 6 -16.963 -2.611 10.688 36 H LYS 7 HN LYS 7 -15.289 1.840 10.378 37 HA LYS 7 HA LYS 7 -13.145 2.272 8.425 38 HB2 LYS 7 HB2 LYS 7 -13.553 4.505 8.048 39 HB3 LYS 7 HB3 LYS 7 -15.173 3.821 7.986 40 HG2 LYS 7 HG2 LYS 7 -15.201 4.522 10.581 41 HG3 LYS 7 HG3 LYS 7 -13.902 5.602 10.067 42 HD2 LYS 7 HD2 LYS 7 -15.878 6.877 9.876 43 HD3 LYS 7 HD3 LYS 7 -15.533 6.400 8.204 44 HE2 LYS 7 HE2 LYS 7 -17.146 4.555 8.356 45 HE3 LYS 7 HE3 LYS 7 -17.335 4.816 10.091 46 HZ1 LYS 7 HZ1 LYS 7 -18.246 6.595 7.948 47 HZ2 LYS 7 HZ2 LYS 7 -18.330 6.990 9.554 48 HZ3 LYS 7 HZ3 LYS 7 -19.180 5.718 8.988 49 H SER 8 HN SER 8 -11.468 3.664 9.444 50 HA SER 8 HA SER 8 -11.551 3.871 12.378 51 HB2 SER 8 HB2 SER 8 -10.511 1.691 11.648 52 HB3 SER 8 HB3 SER 8 -9.301 2.606 10.745 53 HG SER 8 HG SER 8 -8.730 1.870 12.878 54 H GLY 9 HN GLY 9 -8.836 4.792 12.397 55 HA2 GLY 9 HA2 GLY 9 -9.020 7.375 10.905 56 HA3 GLY 9 HA1 GLY 9 -8.198 7.152 12.454 57 H ILE 10 HN ILE 10 -7.913 4.661 10.070 58 HA ILE 10 HA ILE 10 -5.130 4.544 10.218 59 HB ILE 10 HB ILE 10 -7.224 3.365 8.361 60 HG12 ILE 10 HG12 ILE 10 -5.399 2.157 10.496 61 HG13 ILE 10 HG13 ILE 10 -7.054 2.664 10.774 62 HG21 ILE 10 HG21 ILE 10 -5.336 3.442 6.910 63 HG22 ILE 10 HG22 ILE 10 -4.222 2.990 8.220 64 HG23 ILE 10 HG23 ILE 10 -5.369 1.822 7.558 65 HD11 ILE 10 HD11 ILE 10 -7.833 0.970 9.101 66 HD12 ILE 10 HD12 ILE 10 -6.156 0.367 9.002 67 HD13 ILE 10 HD13 ILE 10 -7.032 0.286 10.526 68 H LYS 11 HN LYS 11 -3.484 5.384 9.103 69 HA LYS 11 HA LYS 11 -3.942 6.748 6.523 70 HB2 LYS 11 HB2 LYS 11 -2.181 7.817 8.754 71 HB3 LYS 11 HB3 LYS 11 -2.390 8.554 7.166 72 HG2 LYS 11 HG2 LYS 11 -4.564 8.215 9.248 73 HG3 LYS 11 HG3 LYS 11 -3.637 9.678 8.976 74 HD2 LYS 11 HD2 LYS 11 -4.588 9.973 6.749 75 HD3 LYS 11 HD3 LYS 11 -5.376 8.409 6.818 76 HE2 LYS 11 HE2 LYS 11 -7.071 9.990 7.315 77 HE3 LYS 11 HE3 LYS 11 -6.678 9.168 8.827 78 HZ1 LYS 11 HZ1 LYS 11 -6.884 11.539 9.114 79 HZ2 LYS 11 HZ2 LYS 11 -5.692 11.829 8.013 80 HZ3 LYS 11 HZ3 LYS 11 -5.353 11.079 9.454 81 H GLU 12 HN GLU 12 -2.893 3.994 7.057 82 HA GLU 12 HA GLU 12 -0.624 4.327 5.310 83 HB2 GLU 12 HB2 GLU 12 0.501 4.439 7.536 84 HB3 GLU 12 HB3 GLU 12 -0.264 2.925 8.022 85 HG2 GLU 12 HG2 GLU 12 1.034 1.695 6.349 86 HG3 GLU 12 HG3 GLU 12 1.666 3.211 5.685 87 H ILE 13 HN ILE 13 -0.175 2.334 4.164 88 HA ILE 13 HA ILE 13 -1.910 0.016 4.733 89 HB ILE 13 HB ILE 13 -2.196 -0.259 2.232 90 HG12 ILE 13 HG12 ILE 13 -1.623 2.676 1.833 91 HG13 ILE 13 HG13 ILE 13 -0.262 1.560 1.901 92 HG21 ILE 13 HG21 ILE 13 -4.003 0.613 3.675 93 HG22 ILE 13 HG22 ILE 13 -3.467 2.270 3.364 94 HG23 ILE 13 HG23 ILE 13 -4.054 1.252 2.038 95 HD11 ILE 13 HD11 ILE 13 -1.153 0.200 0.119 96 HD12 ILE 13 HD12 ILE 13 -2.587 1.264 0.016 97 HD13 ILE 13 HD13 ILE 13 -0.978 1.895 -0.398 98 H ILE 14 HN ILE 14 -0.930 -1.945 3.489 99 HA ILE 14 HA ILE 14 1.994 -1.654 3.114 100 HB ILE 14 HB ILE 14 0.629 -3.567 5.057 101 HG12 ILE 14 HG12 ILE 14 2.706 -1.371 5.319 102 HG13 ILE 14 HG13 ILE 14 1.083 -1.402 6.002 103 HG21 ILE 14 HG21 ILE 14 2.818 -4.695 5.361 104 HG22 ILE 14 HG22 ILE 14 2.267 -4.902 3.736 105 HG23 ILE 14 HG23 ILE 14 3.521 -3.679 4.081 106 HD11 ILE 14 HD11 ILE 14 1.773 -3.298 7.459 107 HD12 ILE 14 HD12 ILE 14 3.448 -3.053 6.879 108 HD13 ILE 14 HD13 ILE 14 2.619 -1.761 7.761 109 H ILE 15 HN ILE 15 2.304 -2.244 1.102 110 HA ILE 15 HA ILE 15 0.661 -4.381 -0.107 111 HB ILE 15 HB ILE 15 3.166 -3.086 -1.238 112 HG12 ILE 15 HG12 ILE 15 0.272 -2.553 -2.052 113 HG13 ILE 15 HG13 ILE 15 1.098 -1.519 -0.890 114 HG21 ILE 15 HG21 ILE 15 0.995 -4.992 -2.289 115 HG22 ILE 15 HG22 ILE 15 2.106 -4.154 -3.356 116 HG23 ILE 15 HG23 ILE 15 2.740 -5.299 -2.174 117 HD11 ILE 15 HD11 ILE 15 1.199 -0.544 -3.092 118 HD12 ILE 15 HD12 ILE 15 2.827 -0.937 -2.491 119 HD13 ILE 15 HD13 ILE 15 2.056 -1.951 -3.733 120 H GLN 16 HN GLN 16 1.023 -6.340 0.834 121 HA GLN 16 HA GLN 16 3.449 -7.010 2.182 122 HB2 GLN 16 HB2 GLN 16 1.017 -7.963 2.389 123 HB3 GLN 16 HB3 GLN 16 1.482 -8.983 1.025 124 HG2 GLN 16 HG2 GLN 16 3.403 -9.842 2.395 125 HG3 GLN 16 HG3 GLN 16 2.881 -8.780 3.735 126 HE21 GLN 16 HE21 GLN 16 3.185 -11.211 4.433 127 HE22 GLN 16 HE22 GLN 16 1.774 -12.243 4.378 128 H GLY 17 HN GLY 17 5.079 -8.580 1.453 129 HA2 GLY 17 HA2 GLY 17 5.620 -8.630 -1.453 130 HA3 GLY 17 HA1 GLY 17 6.636 -9.312 -0.183 131 H LEU 18 HN LEU 18 3.181 -9.976 -0.403 132 HA LEU 18 HA LEU 18 3.609 -12.816 -1.076 133 HB2 LEU 18 HB2 LEU 18 2.293 -11.505 1.263 134 HB3 LEU 18 HB3 LEU 18 1.344 -12.773 0.521 135 HG LEU 18 HG LEU 18 2.466 -13.891 2.296 136 HD11 LEU 18 HD11 LEU 18 3.673 -15.389 1.642 137 HD12 LEU 18 HD12 LEU 18 4.264 -14.467 0.222 138 HD13 LEU 18 HD13 LEU 18 2.501 -14.865 0.388 139 HD21 LEU 18 HD21 LEU 18 5.071 -12.704 1.134 140 HD22 LEU 18 HD22 LEU 18 4.902 -13.608 2.661 141 HD23 LEU 18 HD23 LEU 18 4.251 -11.941 2.505 142 H THR 19 HN THR 19 1.837 -13.667 -2.177 143 HA THR 19 HA THR 19 0.329 -11.811 -3.809 144 HB THR 19 HB THR 19 -0.742 -13.862 -4.714 145 HG1 THR 19 HG1 THR 19 0.370 -15.837 -3.939 146 HG21 THR 19 HG21 THR 19 1.542 -13.109 -5.549 147 HG22 THR 19 HG22 THR 19 1.114 -14.820 -5.814 148 HG23 THR 19 HG23 THR 19 2.238 -14.412 -4.533 149 H ARG 20 HN ARG 20 -2.036 -11.916 -3.919 150 HA ARG 20 HA ARG 20 -3.590 -11.730 -1.560 151 HB2 ARG 20 HB2 ARG 20 -5.517 -11.992 -3.089 152 HB3 ARG 20 HB3 ARG 20 -4.313 -10.814 -3.592 153 HG2 ARG 20 HG2 ARG 20 -3.397 -12.608 -5.169 154 HG3 ARG 20 HG3 ARG 20 -4.835 -13.561 -4.808 155 HD2 ARG 20 HD2 ARG 20 -5.134 -10.653 -5.657 156 HD3 ARG 20 HD3 ARG 20 -4.718 -11.871 -6.865 157 HE ARG 20 HE ARG 20 -7.048 -12.460 -5.189 158 HH11 ARG 20 HH11 ARG 20 -6.070 -10.745 -8.132 159 HH12 ARG 20 HH12 ARG 20 -7.226 -11.510 -9.168 160 HH21 ARG 20 HH21 ARG 20 -8.848 -13.177 -6.424 161 HH22 ARG 20 HH22 ARG 20 -8.996 -12.711 -8.094 162 H ALA 21 HN ALA 21 -2.534 -14.637 -3.319 163 HA ALA 21 HA ALA 21 -4.312 -16.495 -1.991 164 HB1 ALA 21 HB1 ALA 21 -1.591 -16.990 -3.270 165 HB2 ALA 21 HB2 ALA 21 -2.866 -18.164 -2.965 166 HB3 ALA 21 HB3 ALA 21 -3.100 -16.897 -4.193 167 H GLY 22 HN GLY 22 -1.343 -14.866 -1.065 168 HA2 GLY 22 HA2 GLY 22 -0.409 -14.825 1.032 169 HA3 GLY 22 HA1 GLY 22 -1.261 -16.302 1.491 170 H LYS 23 HN LYS 23 0.748 -15.997 -1.534 171 HA LYS 23 HA LYS 23 2.962 -17.005 0.025 172 HB2 LYS 23 HB2 LYS 23 1.788 -18.150 -2.658 173 HB3 LYS 23 HB3 LYS 23 3.477 -18.311 -2.416 174 HG2 LYS 23 HG2 LYS 23 3.108 -20.271 -1.470 175 HG3 LYS 23 HG3 LYS 23 2.718 -19.317 -0.031 176 HD2 LYS 23 HD2 LYS 23 0.463 -19.721 -0.190 177 HD3 LYS 23 HD3 LYS 23 0.481 -19.863 -1.947 178 HE2 LYS 23 HE2 LYS 23 0.024 -22.054 -1.112 179 HE3 LYS 23 HE3 LYS 23 1.639 -22.048 -1.807 180 HZ1 LYS 23 HZ1 LYS 23 2.499 -21.875 0.532 181 HZ2 LYS 23 HZ2 LYS 23 1.630 -23.241 0.225 182 HZ3 LYS 23 HZ3 LYS 23 0.976 -22.013 1.078 183 HA PRO 24 HA PRO 24 5.164 -14.053 -1.586 184 HB2 PRO 24 HB2 PRO 24 7.784 -14.847 -1.769 185 HB3 PRO 24 HB3 PRO 24 6.853 -14.696 -0.259 186 HG2 PRO 24 HG2 PRO 24 7.358 -17.215 -1.847 187 HG3 PRO 24 HG3 PRO 24 7.479 -16.957 -0.079 188 HD2 PRO 24 HD2 PRO 24 5.321 -18.091 -1.272 189 HD3 PRO 24 HD3 PRO 24 5.152 -17.034 0.158 190 H PHE 25 HN PHE 25 6.270 -12.816 -3.101 191 HA PHE 25 HA PHE 25 5.885 -13.776 -5.885 192 HB2 PHE 25 HB2 PHE 25 4.427 -11.944 -5.058 193 HB3 PHE 25 HB3 PHE 25 5.843 -11.032 -4.549 194 HD1 PHE 25 HD1 PHE 25 4.007 -12.394 -7.479 195 HD2 PHE 25 HD2 PHE 25 7.083 -9.667 -6.141 196 HE1 PHE 25 HE1 PHE 25 4.091 -11.371 -9.732 197 HE2 PHE 25 HE2 PHE 25 7.185 -8.694 -8.397 198 HZ PHE 25 HZ PHE 25 5.728 -9.560 -10.214 199 H ARG 26 HN ARG 26 7.606 -13.233 -7.422 200 HA ARG 26 HA ARG 26 10.063 -12.152 -6.253 201 HB2 ARG 26 HB2 ARG 26 9.908 -14.349 -8.342 202 HB3 ARG 26 HB3 ARG 26 11.359 -13.568 -7.765 203 HG2 ARG 26 HG2 ARG 26 10.071 -14.494 -5.403 204 HG3 ARG 26 HG3 ARG 26 9.890 -15.806 -6.575 205 HD2 ARG 26 HD2 ARG 26 12.480 -14.360 -5.963 206 HD3 ARG 26 HD3 ARG 26 11.982 -15.852 -5.145 207 HE ARG 26 HE ARG 26 11.807 -16.484 -7.837 208 HH11 ARG 26 HH11 ARG 26 14.459 -15.606 -5.574 209 HH12 ARG 26 HH12 ARG 26 15.561 -16.672 -6.345 210 HH21 ARG 26 HH21 ARG 26 13.290 -17.689 -8.888 211 HH22 ARG 26 HH22 ARG 26 14.986 -17.624 -8.494 212 HA PRO 27 HA PRO 27 12.087 -11.486 -7.553 213 HB2 PRO 27 HB2 PRO 27 13.042 -8.919 -7.799 214 HB3 PRO 27 HB3 PRO 27 13.062 -10.128 -9.121 215 HG2 PRO 27 HG2 PRO 27 11.029 -7.929 -8.637 216 HG3 PRO 27 HG3 PRO 27 11.873 -8.335 -10.166 217 HD2 PRO 27 HD2 PRO 27 9.363 -9.268 -9.617 218 HD3 PRO 27 HD3 PRO 27 10.558 -10.273 -10.489 219 H SER 28 HN SER 28 12.469 -11.295 -5.342 220 HA SER 28 HA SER 28 10.526 -10.083 -3.627 221 HB2 SER 28 HB2 SER 28 12.963 -10.585 -2.225 222 HB3 SER 28 HB3 SER 28 11.447 -11.498 -2.213 223 HG SER 28 HG SER 28 13.809 -11.907 -3.653 224 H ASP 29 HN ASP 29 13.113 -8.750 -5.338 225 HA ASP 29 HA ASP 29 13.853 -6.593 -3.563 226 HB2 ASP 29 HB2 ASP 29 14.465 -6.677 -6.511 227 HB3 ASP 29 HB3 ASP 29 15.457 -6.071 -5.183 228 H TRP 30 HN TRP 30 11.063 -7.076 -5.450 229 HA TRP 30 HA TRP 30 10.589 -4.809 -6.898 230 HB2 TRP 30 HB2 TRP 30 8.275 -5.199 -6.595 231 HB3 TRP 30 HB3 TRP 30 9.071 -6.746 -6.720 232 HD1 TRP 30 HD1 TRP 30 8.804 -8.405 -4.573 233 HE1 TRP 30 HE1 TRP 30 7.788 -8.197 -2.301 234 HE3 TRP 30 HE3 TRP 30 7.334 -3.496 -4.762 235 HZ2 TRP 30 HZ2 TRP 30 5.834 -6.365 -0.987 236 HZ3 TRP 30 HZ3 TRP 30 5.943 -2.562 -2.934 237 HH2 TRP 30 HH2 TRP 30 5.177 -4.009 -1.075 238 H VAL 31 HN VAL 31 10.706 -5.033 -3.452 239 HA VAL 31 HA VAL 31 9.338 -2.716 -2.596 240 HB VAL 31 HB VAL 31 11.586 -4.437 -1.458 241 HG11 VAL 31 HG11 VAL 31 9.947 -2.368 0.048 242 HG12 VAL 31 HG12 VAL 31 11.005 -3.589 0.784 243 HG13 VAL 31 HG13 VAL 31 11.705 -2.346 -0.247 244 HG21 VAL 31 HG21 VAL 31 8.574 -4.347 -1.008 245 HG22 VAL 31 HG22 VAL 31 9.484 -5.607 -1.866 246 HG23 VAL 31 HG23 VAL 31 9.691 -5.388 -0.129 247 H ASP 32 HN ASP 32 12.700 -3.152 -3.775 248 HA ASP 32 HA ASP 32 13.300 -0.327 -3.165 249 HB2 ASP 32 HB2 ASP 32 14.858 -2.734 -3.551 250 HB3 ASP 32 HB3 ASP 32 15.459 -1.425 -4.559 251 H ARG 33 HN ARG 33 12.261 -2.384 -5.750 252 HA ARG 33 HA ARG 33 13.021 -0.567 -7.934 253 HB2 ARG 33 HB2 ARG 33 10.700 -2.549 -7.975 254 HB3 ARG 33 HB3 ARG 33 11.466 -1.740 -9.338 255 HG2 ARG 33 HG2 ARG 33 13.666 -2.939 -8.387 256 HG3 ARG 33 HG3 ARG 33 12.487 -4.029 -7.665 257 HD2 ARG 33 HD2 ARG 33 12.929 -5.056 -9.716 258 HD3 ARG 33 HD3 ARG 33 11.479 -4.114 -10.114 259 HE ARG 33 HE ARG 33 13.985 -2.666 -10.472 260 HH11 ARG 33 HH11 ARG 33 11.788 -4.936 -12.199 261 HH12 ARG 33 HH12 ARG 33 12.538 -4.564 -13.727 262 HH21 ARG 33 HH21 ARG 33 14.779 -2.168 -12.513 263 HH22 ARG 33 HH22 ARG 33 14.260 -3.095 -13.902 264 H MET 34 HN MET 34 10.225 -0.981 -5.828 265 HA MET 34 HA MET 34 8.689 1.102 -7.091 266 HB2 MET 34 HB2 MET 34 8.487 -0.350 -4.439 267 HB3 MET 34 HB3 MET 34 7.501 1.091 -4.771 268 HG2 MET 34 HG2 MET 34 6.827 0.034 -6.938 269 HG3 MET 34 HG3 MET 34 7.546 -1.482 -6.371 270 HE1 MET 34 HE1 MET 34 4.502 -0.318 -7.363 271 HE2 MET 34 HE2 MET 34 3.354 -0.112 -6.022 272 HE3 MET 34 HE3 MET 34 4.663 1.072 -6.287 273 H CYS 35 HN CYS 35 10.731 1.191 -4.029 274 HA CYS 35 HA CYS 35 10.092 3.940 -3.689 275 HB2 CYS 35 HB2 CYS 35 11.892 4.052 -2.080 276 HB3 CYS 35 HB3 CYS 35 10.957 2.555 -1.844 277 HG CYS 35 HG CYS 35 13.568 2.213 -1.450 278 H SER 36 HN SER 36 12.729 2.423 -5.639 279 HA SER 36 HA SER 36 14.041 4.883 -6.185 280 HB2 SER 36 HB2 SER 36 15.401 3.659 -7.491 281 HB3 SER 36 HB3 SER 36 14.562 2.295 -6.765 282 HG SER 36 HG SER 36 14.215 3.477 -9.295 283 H THR 37 HN THR 37 11.377 3.270 -7.802 284 HA THR 37 HA THR 37 11.021 5.095 -9.980 285 HB THR 37 HB THR 37 8.972 3.332 -8.554 286 HG1 THR 37 HG1 THR 37 10.405 1.965 -9.240 287 HG21 THR 37 HG21 THR 37 8.901 4.449 -11.384 288 HG22 THR 37 HG22 THR 37 7.863 4.960 -10.025 289 HG23 THR 37 HG23 THR 37 7.741 3.323 -10.634 290 H TYR 38 HN TYR 38 9.577 5.034 -6.697 291 HA TYR 38 HA TYR 38 8.317 7.671 -7.140 292 HB2 TYR 38 HB2 TYR 38 8.124 5.566 -4.974 293 HB3 TYR 38 HB3 TYR 38 7.392 7.160 -4.815 294 HD1 TYR 38 HD1 TYR 38 5.434 7.845 -6.081 295 HD2 TYR 38 HD2 TYR 38 7.181 3.947 -6.569 296 HE1 TYR 38 HE1 TYR 38 3.549 7.191 -7.556 297 HE2 TYR 38 HE2 TYR 38 5.332 3.290 -8.082 298 HH TYR 38 HH TYR 38 2.963 5.602 -9.243 299 H ALA 39 HN ALA 39 11.077 7.821 -7.325 300 HA ALA 39 HA ALA 39 11.671 9.662 -5.125 301 HB1 ALA 39 HB1 ALA 39 13.458 7.317 -5.891 302 HB2 ALA 39 HB2 ALA 39 13.926 8.655 -4.819 303 HB3 ALA 39 HB3 ALA 39 12.604 7.566 -4.361 304 H SER 40 HN SER 40 13.717 10.908 -5.678 305 HA SER 40 HA SER 40 14.545 10.980 -8.512 306 HB2 SER 40 HB2 SER 40 14.040 13.400 -8.620 307 HB3 SER 40 HB3 SER 40 12.574 12.408 -8.525 308 HG SER 40 HG SER 40 12.559 14.247 -7.166 309 H PHE 41 HN PHE 41 16.314 12.636 -8.724 310 HA PHE 41 HA PHE 41 18.236 12.189 -6.642 311 HB2 PHE 41 HB2 PHE 41 18.052 13.623 -9.212 312 HB3 PHE 41 HB3 PHE 41 19.349 14.107 -8.092 313 HD1 PHE 41 HD2 PHE 41 18.316 10.497 -8.235 314 HD2 PHE 41 HD1 PHE 41 21.026 13.497 -9.774 315 HE1 PHE 41 HE2 PHE 41 19.934 8.772 -8.785 316 HE2 PHE 41 HE1 PHE 41 22.628 11.713 -10.387 317 HZ PHE 41 HZ PHE 41 22.126 9.361 -9.818 318 H GLY 42 HN GLY 42 18.436 13.209 -4.936 319 HA2 GLY 42 HA2 GLY 42 17.549 15.970 -4.329 320 HA3 GLY 42 HA1 GLY 42 18.500 14.880 -3.300 321 H ALA 43 HN ALA 43 19.288 17.489 -3.602 322 HA ALA 43 HA ALA 43 20.573 18.514 -5.644 323 HB1 ALA 43 HB1 ALA 43 21.552 18.711 -2.758 324 HB2 ALA 43 HB2 ALA 43 21.865 19.880 -4.050 325 HB3 ALA 43 HB3 ALA 43 20.212 19.640 -3.461 326 H ASP 44 HN ASP 44 22.151 16.206 -3.510 327 HA ASP 44 HA ASP 44 24.869 16.424 -4.352 328 HB2 ASP 44 HB2 ASP 44 23.947 15.664 -2.185 329 HB3 ASP 44 HB3 ASP 44 23.298 14.231 -2.974 330 H ARG 45 HN ARG 45 22.553 15.651 -6.334 331 HA ARG 45 HA ARG 45 22.020 14.275 -8.002 332 HB2 ARG 45 HB2 ARG 45 25.051 14.295 -8.355 333 HB3 ARG 45 HB3 ARG 45 24.005 13.390 -9.429 334 HG2 ARG 45 HG2 ARG 45 24.311 15.317 -10.602 335 HG3 ARG 45 HG3 ARG 45 22.724 15.534 -9.886 336 HD2 ARG 45 HD2 ARG 45 23.829 16.945 -8.092 337 HD3 ARG 45 HD3 ARG 45 25.349 16.785 -8.968 338 HE ARG 45 HE ARG 45 24.149 17.780 -10.933 339 HH11 ARG 45 HH11 ARG 45 23.221 18.781 -7.601 340 HH12 ARG 45 HH12 ARG 45 22.463 20.230 -8.161 341 HH21 ARG 45 HH21 ARG 45 23.108 19.670 -11.595 342 HH22 ARG 45 HH22 ARG 45 22.477 20.801 -10.428 343 H LYS 46 HN LYS 46 21.351 12.991 -5.957 344 HA LYS 46 HA LYS 46 22.128 10.227 -6.513 345 HB2 LYS 46 HB2 LYS 46 23.509 11.529 -4.501 346 HB3 LYS 46 HB3 LYS 46 22.166 10.884 -3.575 347 HG2 LYS 46 HG2 LYS 46 23.746 9.146 -5.515 348 HG3 LYS 46 HG3 LYS 46 24.395 9.516 -3.936 349 HD2 LYS 46 HD2 LYS 46 21.583 8.505 -3.864 350 HD3 LYS 46 HD3 LYS 46 22.783 7.374 -4.513 351 HE2 LYS 46 HE2 LYS 46 24.191 7.698 -2.506 352 HE3 LYS 46 HE3 LYS 46 23.019 8.846 -1.851 353 HZ1 LYS 46 HZ1 LYS 46 21.493 7.193 -1.507 354 HZ2 LYS 46 HZ2 LYS 46 22.899 6.476 -1.061 355 HZ3 LYS 46 HZ3 LYS 46 22.225 6.085 -2.505 356 H LEU 47 HN LEU 47 20.442 8.795 -6.081 357 HA LEU 47 HA LEU 47 17.836 9.851 -6.089 358 HB2 LEU 47 HB2 LEU 47 19.091 7.149 -5.939 359 HB3 LEU 47 HB3 LEU 47 17.537 7.241 -5.143 360 HG LEU 47 HG LEU 47 18.054 7.884 -8.070 361 HD11 LEU 47 HD11 LEU 47 16.489 5.674 -6.686 362 HD12 LEU 47 HD12 LEU 47 18.078 5.491 -7.470 363 HD13 LEU 47 HD13 LEU 47 16.658 5.909 -8.444 364 HD21 LEU 47 HD21 LEU 47 15.455 7.913 -8.098 365 HD22 LEU 47 HD22 LEU 47 16.280 9.343 -7.508 366 HD23 LEU 47 HD23 LEU 47 15.575 8.189 -6.354 367 H ARG 48 HN ARG 48 16.243 10.115 -4.577 368 HA ARG 48 HA ARG 48 16.903 9.643 -1.733 369 HB2 ARG 48 HB2 ARG 48 16.496 12.215 -3.196 370 HB3 ARG 48 HB3 ARG 48 15.540 12.062 -1.737 371 HG2 ARG 48 HG2 ARG 48 18.549 11.540 -1.864 372 HG3 ARG 48 HG3 ARG 48 17.858 13.090 -1.419 373 HD2 ARG 48 HD2 ARG 48 16.709 10.819 0.130 374 HD3 ARG 48 HD3 ARG 48 18.437 10.970 0.323 375 HE ARG 48 HE ARG 48 16.333 12.844 1.155 376 HH11 ARG 48 HH11 ARG 48 19.905 12.318 0.861 377 HH12 ARG 48 HH12 ARG 48 20.229 13.503 2.084 378 HH21 ARG 48 HH21 ARG 48 16.969 14.397 2.848 379 HH22 ARG 48 HH22 ARG 48 18.673 14.598 3.134 380 H TYR 49 HN TYR 49 15.518 8.045 -1.313 381 HA TYR 49 HA TYR 49 12.930 7.733 -2.380 382 HB2 TYR 49 HB2 TYR 49 14.009 6.784 0.290 383 HB3 TYR 49 HB3 TYR 49 12.654 6.098 -0.594 384 HD1 TYR 49 HD2 TYR 49 13.969 6.040 -3.424 385 HD2 TYR 49 HD1 TYR 49 15.378 4.810 0.479 386 HE1 TYR 49 HE2 TYR 49 15.401 4.339 -4.469 387 HE2 TYR 49 HE1 TYR 49 16.773 3.090 -0.576 388 HH TYR 49 HH TYR 49 16.530 1.709 -2.888 389 H SER 50 HN SER 50 11.041 8.686 -1.977 390 HA SER 50 HA SER 50 10.711 11.005 -0.454 391 HB2 SER 50 HB2 SER 50 8.741 8.903 -1.452 392 HB3 SER 50 HB3 SER 50 8.253 10.496 -0.881 393 HG SER 50 HG SER 50 9.616 11.404 -2.525 394 HA PRO 51 HA PRO 51 9.853 9.912 3.707 395 HB2 PRO 51 HB2 PRO 51 7.459 11.306 4.248 396 HB3 PRO 51 HB3 PRO 51 9.094 12.003 4.270 397 HG2 PRO 51 HG2 PRO 51 7.076 12.051 2.038 398 HG3 PRO 51 HG3 PRO 51 8.148 13.375 2.591 399 HD2 PRO 51 HD2 PRO 51 8.759 12.002 0.415 400 HD3 PRO 51 HD3 PRO 51 10.037 12.417 1.581 401 H TYR 52 HN TYR 52 7.189 9.374 1.428 402 HA TYR 52 HA TYR 52 5.537 8.128 3.415 403 HB2 TYR 52 HB2 TYR 52 5.145 8.606 0.435 404 HB3 TYR 52 HB3 TYR 52 3.877 8.138 1.553 405 HD1 TYR 52 HD2 TYR 52 4.112 9.792 3.895 406 HD2 TYR 52 HD1 TYR 52 4.924 10.874 -0.214 407 HE1 TYR 52 HE2 TYR 52 3.812 12.134 4.470 408 HE2 TYR 52 HE1 TYR 52 4.659 13.257 0.384 409 HH TYR 52 HH TYR 52 4.733 14.693 2.254 410 H LEU 53 HN LEU 53 7.996 6.588 2.419 411 HA LEU 53 HA LEU 53 6.625 4.117 1.526 412 HB2 LEU 53 HB2 LEU 53 8.369 6.044 0.054 413 HB3 LEU 53 HB3 LEU 53 8.736 4.326 -0.238 414 HG LEU 53 HG LEU 53 6.023 5.666 -0.652 415 HD11 LEU 53 HD11 LEU 53 7.754 6.425 -2.280 416 HD12 LEU 53 HD12 LEU 53 6.483 5.457 -3.060 417 HD13 LEU 53 HD13 LEU 53 8.060 4.735 -2.722 418 HD21 LEU 53 HD21 LEU 53 6.974 2.892 -1.474 419 HD22 LEU 53 HD22 LEU 53 5.399 3.618 -1.844 420 HD23 LEU 53 HD23 LEU 53 5.811 3.226 -0.174 421 H LYS 54 HN LYS 54 7.411 2.445 2.708 422 HA LYS 54 HA LYS 54 10.227 2.472 3.517 423 HB2 LYS 54 HB2 LYS 54 9.060 1.832 5.865 424 HB3 LYS 54 HB3 LYS 54 9.775 3.355 5.364 425 HG2 LYS 54 HG2 LYS 54 7.456 4.144 4.806 426 HG3 LYS 54 HG3 LYS 54 6.829 2.665 5.517 427 HD2 LYS 54 HD2 LYS 54 7.348 3.357 7.671 428 HD3 LYS 54 HD3 LYS 54 8.768 4.287 7.156 429 HE2 LYS 54 HE2 LYS 54 7.279 5.903 6.004 430 HE3 LYS 54 HE3 LYS 54 5.872 5.111 6.746 431 HZ1 LYS 54 HZ1 LYS 54 8.095 6.320 8.258 432 HZ2 LYS 54 HZ2 LYS 54 6.693 5.732 8.903 433 HZ3 LYS 54 HZ3 LYS 54 6.665 7.083 7.988 434 HA PRO 55 HA PRO 55 9.506 -1.988 3.321 435 HB2 PRO 55 HB2 PRO 55 11.928 -2.932 4.152 436 HB3 PRO 55 HB3 PRO 55 11.696 -2.166 2.548 437 HG2 PRO 55 HG2 PRO 55 12.739 -0.902 5.086 438 HG3 PRO 55 HG3 PRO 55 13.450 -0.811 3.446 439 HD2 PRO 55 HD2 PRO 55 11.856 1.167 4.446 440 HD3 PRO 55 HD3 PRO 55 11.808 0.717 2.716 441 H ARG 56 HN ARG 56 9.315 -3.800 4.858 442 HA ARG 56 HA ARG 56 9.649 -3.200 7.721 443 HB2 ARG 56 HB2 ARG 56 7.054 -3.589 6.299 444 HB3 ARG 56 HB3 ARG 56 7.246 -4.576 7.743 445 HG2 ARG 56 HG2 ARG 56 7.892 -2.584 9.067 446 HG3 ARG 56 HG3 ARG 56 7.636 -1.562 7.633 447 HD2 ARG 56 HD2 ARG 56 5.316 -2.098 7.578 448 HD3 ARG 56 HD3 ARG 56 5.486 -3.354 8.819 449 HE ARG 56 HE ARG 56 5.768 -1.777 10.501 450 HH11 ARG 56 HH11 ARG 56 5.256 -0.025 7.431 451 HH12 ARG 56 HH12 ARG 56 4.352 1.224 8.234 452 HH21 ARG 56 HH21 ARG 56 4.715 0.060 11.443 453 HH22 ARG 56 HH22 ARG 56 4.614 1.513 10.494 454 H VAL 57 HN VAL 57 8.666 -5.615 8.698 455 HA VAL 57 HA VAL 57 9.496 -7.794 7.052 456 HB VAL 57 HB VAL 57 10.880 -7.551 9.751 457 HG11 VAL 57 HG11 VAL 57 11.001 -9.682 7.565 458 HG12 VAL 57 HG12 VAL 57 11.958 -9.683 9.067 459 HG13 VAL 57 HG13 VAL 57 10.205 -9.875 9.142 460 HG21 VAL 57 HG21 VAL 57 12.088 -6.167 8.116 461 HG22 VAL 57 HG22 VAL 57 12.985 -7.642 8.462 462 HG23 VAL 57 HG23 VAL 57 12.071 -7.498 6.938 463 H ILE 58 HN ILE 58 7.240 -8.016 7.063 464 HA ILE 58 HA ILE 58 5.925 -8.605 9.678 465 HB ILE 58 HB ILE 58 4.591 -8.695 6.928 466 HG12 ILE 58 HG12 ILE 58 4.897 -6.399 8.949 467 HG13 ILE 58 HG13 ILE 58 5.276 -6.386 7.229 468 HG21 ILE 58 HG21 ILE 58 3.551 -8.632 9.822 469 HG22 ILE 58 HG22 ILE 58 2.547 -8.653 8.363 470 HG23 ILE 58 HG23 ILE 58 3.551 -10.033 8.723 471 HD11 ILE 58 HD11 ILE 58 2.819 -6.628 6.742 472 HD12 ILE 58 HD12 ILE 58 2.508 -6.427 8.490 473 HD13 ILE 58 HD13 ILE 58 3.283 -5.133 7.594 474 H GLU 59 HN GLU 59 6.080 -10.684 10.307 475 HA GLU 59 HA GLU 59 6.532 -12.931 10.247 476 HB2 GLU 59 HB2 GLU 59 4.594 -12.562 7.936 477 HB3 GLU 59 HB3 GLU 59 5.013 -14.120 8.634 478 HG2 GLU 59 HG2 GLU 59 4.193 -13.466 10.824 479 HG3 GLU 59 HG3 GLU 59 3.804 -11.843 10.244 480 H GLY 60 HN GLY 60 8.565 -11.398 8.909 481 HA2 GLY 60 HA2 GLY 60 10.637 -12.159 8.086 482 HA3 GLY 60 HA1 GLY 60 9.859 -13.564 7.366 483 H VAL 61 HN VAL 61 7.864 -11.138 6.386 484 HA VAL 61 HA VAL 61 9.130 -11.046 3.746 485 HB VAL 61 HB VAL 61 6.378 -10.028 4.549 486 HG11 VAL 61 HG11 VAL 61 7.259 -9.468 2.274 487 HG12 VAL 61 HG12 VAL 61 7.453 -11.192 1.935 488 HG13 VAL 61 HG13 VAL 61 5.835 -10.502 2.205 489 HG21 VAL 61 HG21 VAL 61 6.651 -12.482 5.332 490 HG22 VAL 61 HG22 VAL 61 5.332 -12.068 4.288 491 HG23 VAL 61 HG23 VAL 61 6.793 -12.850 3.607 492 H ARG 62 HN ARG 62 10.025 -9.351 2.988 493 HA ARG 62 HA ARG 62 10.622 -6.890 4.015 494 HB2 ARG 62 HB2 ARG 62 9.789 -7.524 1.169 495 HB3 ARG 62 HB3 ARG 62 10.611 -6.080 1.654 496 HG2 ARG 62 HG2 ARG 62 12.286 -7.257 0.715 497 HG3 ARG 62 HG3 ARG 62 12.527 -7.662 2.429 498 HD2 ARG 62 HD2 ARG 62 11.634 -9.885 2.059 499 HD3 ARG 62 HD3 ARG 62 10.970 -9.434 0.496 500 HE ARG 62 HE ARG 62 13.100 -9.306 -0.460 501 HH11 ARG 62 HH11 ARG 62 13.285 -10.490 2.881 502 HH12 ARG 62 HH12 ARG 62 14.897 -11.096 2.749 503 HH21 ARG 62 HH21 ARG 62 15.266 -9.926 -0.620 504 HH22 ARG 62 HH22 ARG 62 16.103 -10.703 0.691 505 H CYS 63 HN CYS 63 7.921 -7.268 1.709 506 HA CYS 63 HA CYS 63 6.058 -6.046 1.303 507 HB2 CYS 63 HB2 CYS 63 6.019 -5.071 4.173 508 HB3 CYS 63 HB3 CYS 63 4.671 -5.290 3.056 509 HG CYS 63 HG CYS 63 6.575 -7.505 4.610 510 H LEU 64 HN LEU 64 5.172 -3.608 1.568 511 HA LEU 64 HA LEU 64 7.341 -1.663 1.960 512 HB2 LEU 64 HB2 LEU 64 7.318 -2.301 -0.468 513 HB3 LEU 64 HB3 LEU 64 5.621 -1.832 -0.546 514 HG LEU 64 HG LEU 64 6.132 0.489 -0.191 515 HD11 LEU 64 HD11 LEU 64 9.079 -0.296 0.052 516 HD12 LEU 64 HD12 LEU 64 8.055 0.397 1.328 517 HD13 LEU 64 HD13 LEU 64 8.449 1.355 -0.086 518 HD21 LEU 64 HD21 LEU 64 8.029 -0.849 -2.175 519 HD22 LEU 64 HD22 LEU 64 7.519 0.845 -2.244 520 HD23 LEU 64 HD23 LEU 64 6.323 -0.441 -2.456 521 H ALA 65 HN ALA 65 6.435 -0.128 3.366 522 HA ALA 65 HA ALA 65 3.508 -0.108 3.667 523 HB1 ALA 65 HB1 ALA 65 4.241 1.413 5.595 524 HB2 ALA 65 HB2 ALA 65 4.667 -0.312 5.721 525 HB3 ALA 65 HB3 ALA 65 5.907 0.859 5.262 526 H VAL 66 HN VAL 66 2.397 1.734 3.223 527 HA VAL 66 HA VAL 66 3.745 3.850 1.640 528 HB VAL 66 HB VAL 66 1.157 2.589 0.771 529 HG11 VAL 66 HG11 VAL 66 1.665 4.911 0.080 530 HG12 VAL 66 HG12 VAL 66 3.198 4.351 -0.626 531 HG13 VAL 66 HG13 VAL 66 1.644 3.760 -1.253 532 HG21 VAL 66 HG21 VAL 66 3.950 1.918 -0.212 533 HG22 VAL 66 HG22 VAL 66 2.823 0.801 0.584 534 HG23 VAL 66 HG23 VAL 66 2.425 1.438 -1.003 535 H ASP 67 HN ASP 67 3.300 5.651 2.724 536 HA ASP 67 HA ASP 67 1.217 5.777 4.812 537 HB2 ASP 67 HB2 ASP 67 3.492 6.825 5.042 538 HB3 ASP 67 HB3 ASP 67 3.035 7.961 3.777 539 H LEU 68 HN LEU 68 -0.763 6.654 4.564 540 HA LEU 68 HA LEU 68 -1.860 7.120 1.929 541 HB2 LEU 68 HB2 LEU 68 -2.822 6.798 4.655 542 HB3 LEU 68 HB3 LEU 68 -3.664 8.121 3.898 543 HG LEU 68 HG LEU 68 -3.372 5.370 2.636 544 HD11 LEU 68 HD11 LEU 68 -5.719 4.986 3.467 545 HD12 LEU 68 HD12 LEU 68 -5.568 6.437 4.474 546 HD13 LEU 68 HD13 LEU 68 -4.505 5.045 4.737 547 HD21 LEU 68 HD21 LEU 68 -5.442 6.207 1.365 548 HD22 LEU 68 HD22 LEU 68 -3.974 7.131 1.021 549 HD23 LEU 68 HD23 LEU 68 -5.202 7.788 2.105 550 H LYS 69 HN LYS 69 -0.280 9.218 4.212 551 HA LYS 69 HA LYS 69 -1.546 11.691 3.598 552 HB2 LYS 69 HB2 LYS 69 0.276 11.046 5.360 553 HB3 LYS 69 HB3 LYS 69 1.441 11.362 4.087 554 HG2 LYS 69 HG2 LYS 69 -0.660 13.338 5.096 555 HG3 LYS 69 HG3 LYS 69 0.953 13.206 5.786 556 HD2 LYS 69 HD2 LYS 69 1.780 14.628 4.293 557 HD3 LYS 69 HD3 LYS 69 1.344 13.564 2.986 558 HE2 LYS 69 HE2 LYS 69 0.248 15.552 2.440 559 HE3 LYS 69 HE3 LYS 69 -1.015 14.530 3.140 560 HZ1 LYS 69 HZ1 LYS 69 0.383 16.647 4.647 561 HZ2 LYS 69 HZ2 LYS 69 -0.972 15.815 5.119 562 HZ3 LYS 69 HZ3 LYS 69 -1.060 16.820 3.857 563 H LEU 70 HN LEU 70 0.692 9.702 1.705 564 HA LEU 70 HA LEU 70 1.446 11.626 -0.238 565 HB2 LEU 70 HB2 LEU 70 2.513 9.513 -0.161 566 HB3 LEU 70 HB3 LEU 70 0.997 8.640 -0.371 567 HG LEU 70 HG LEU 70 0.839 9.615 -2.716 568 HD11 LEU 70 HD11 LEU 70 3.726 10.456 -2.169 569 HD12 LEU 70 HD12 LEU 70 2.359 11.574 -2.373 570 HD13 LEU 70 HD13 LEU 70 2.870 10.543 -3.721 571 HD21 LEU 70 HD21 LEU 70 2.484 8.104 -3.689 572 HD22 LEU 70 HD22 LEU 70 1.686 7.341 -2.317 573 HD23 LEU 70 HD23 LEU 70 3.334 7.971 -2.129 574 H LYS 71 HN LYS 71 -1.658 9.830 0.118 575 HA LYS 71 HA LYS 71 -2.700 10.451 -2.496 576 HB2 LYS 71 HB2 LYS 71 -3.599 8.724 -0.888 577 HB3 LYS 71 HB3 LYS 71 -4.114 10.035 0.173 578 HG2 LYS 71 HG2 LYS 71 -6.088 9.580 -0.762 579 HG3 LYS 71 HG3 LYS 71 -5.576 10.814 -1.906 580 HD2 LYS 71 HD2 LYS 71 -4.877 9.025 -3.499 581 HD3 LYS 71 HD3 LYS 71 -5.207 7.822 -2.254 582 HE2 LYS 71 HE2 LYS 71 -7.117 7.597 -3.451 583 HE3 LYS 71 HE3 LYS 71 -7.627 8.742 -2.205 584 HZ1 LYS 71 HZ1 LYS 71 -8.436 9.433 -4.290 585 HZ2 LYS 71 HZ2 LYS 71 -6.979 9.269 -5.026 586 HZ3 LYS 71 HZ3 LYS 71 -7.272 10.491 -3.902 587 H ASP 72 HN ASP 72 -2.510 12.300 0.521 588 HA ASP 72 HA ASP 72 -4.467 14.280 -0.153 589 HB2 ASP 72 HB2 ASP 72 -3.476 13.631 2.123 590 HB3 ASP 72 HB3 ASP 72 -2.044 14.513 1.619 591 H THR 73 HN THR 73 -1.103 13.879 -0.893 592 HA THR 73 HA THR 73 -0.888 16.667 -1.933 593 HB THR 73 HB THR 73 0.356 16.023 0.133 594 HG1 THR 73 HG1 THR 73 0.971 17.732 -1.329 595 HG21 THR 73 HG21 THR 73 1.049 13.747 -0.443 596 HG22 THR 73 HG22 THR 73 2.424 14.757 -0.008 597 HG23 THR 73 HG23 THR 73 2.113 14.374 -1.716 598 H ASN 74 HN ASN 74 -0.847 13.384 -2.904 599 HA ASN 74 HA ASN 74 -0.617 14.089 -5.675 600 HB2 ASN 74 HB2 ASN 74 1.793 13.836 -5.175 601 HB3 ASN 74 HB3 ASN 74 1.470 12.254 -4.447 602 HD21 ASN 74 HD21 ASN 74 3.114 11.475 -6.182 603 HD22 ASN 74 HD22 ASN 74 2.449 11.274 -7.800 604 HA PRO 75 HA PRO 75 -3.392 10.584 -4.502 605 HB2 PRO 75 HB2 PRO 75 -5.588 11.383 -5.966 606 HB3 PRO 75 HB3 PRO 75 -5.240 11.919 -4.294 607 HG2 PRO 75 HG2 PRO 75 -4.680 13.389 -6.864 608 HG3 PRO 75 HG3 PRO 75 -5.370 14.017 -5.333 609 HD2 PRO 75 HD2 PRO 75 -2.731 14.298 -6.007 610 HD3 PRO 75 HD3 PRO 75 -3.260 14.118 -4.313 611 H GLU 76 HN GLU 76 -2.362 12.055 -7.532 612 HA GLU 76 HA GLU 76 -3.351 10.116 -9.376 613 HB2 GLU 76 HB2 GLU 76 -2.702 12.447 -9.845 614 HB3 GLU 76 HB3 GLU 76 -1.028 12.111 -9.433 615 HG2 GLU 76 HG2 GLU 76 -0.923 10.479 -11.325 616 HG3 GLU 76 HG3 GLU 76 -2.570 10.981 -11.780 617 H GLY 77 HN GLY 77 -0.113 10.660 -7.935 618 HA2 GLY 77 HA2 GLY 77 1.166 8.296 -8.856 619 HA3 GLY 77 HA1 GLY 77 1.583 9.174 -7.368 620 H PHE 78 HN PHE 78 -0.678 8.894 -5.811 621 HA PHE 78 HA PHE 78 -0.483 6.316 -4.725 622 HB2 PHE 78 HB2 PHE 78 -1.362 8.469 -3.694 623 HB3 PHE 78 HB3 PHE 78 -2.895 8.096 -4.459 624 HD1 PHE 78 HD2 PHE 78 -4.181 6.040 -3.739 625 HD2 PHE 78 HD1 PHE 78 -0.616 7.343 -1.700 626 HE1 PHE 78 HE2 PHE 78 -4.768 4.642 -1.774 627 HE2 PHE 78 HE1 PHE 78 -1.132 5.819 0.189 628 HZ PHE 78 HZ PHE 78 -3.214 4.433 0.138 629 H ASN 79 HN ASN 79 -2.537 7.519 -7.267 630 HA ASN 79 HA ASN 79 -4.380 5.360 -7.493 631 HB2 ASN 79 HB2 ASN 79 -4.001 7.924 -8.534 632 HB3 ASN 79 HB3 ASN 79 -3.780 6.914 -9.956 633 HD21 ASN 79 HD21 ASN 79 -5.596 7.595 -11.020 634 HD22 ASN 79 HD22 ASN 79 -7.180 7.665 -10.292 635 H GLN 80 HN GLN 80 -1.286 6.034 -9.207 636 HA GLN 80 HA GLN 80 -1.474 3.625 -10.848 637 HB2 GLN 80 HB2 GLN 80 0.807 5.515 -10.099 638 HB3 GLN 80 HB3 GLN 80 1.017 4.090 -11.096 639 HG2 GLN 80 HG2 GLN 80 -0.945 5.142 -12.544 640 HG3 GLN 80 HG3 GLN 80 -0.465 6.630 -11.713 641 HE21 GLN 80 HE21 GLN 80 0.701 7.838 -13.261 642 HE22 GLN 80 HE22 GLN 80 1.964 7.187 -14.257 643 H LEU 81 HN LEU 81 0.091 4.561 -7.768 644 HA LEU 81 HA LEU 81 1.693 2.366 -7.475 645 HB2 LEU 81 HB2 LEU 81 1.259 4.560 -6.002 646 HB3 LEU 81 HB3 LEU 81 0.332 3.482 -5.004 647 HG LEU 81 HG LEU 81 2.995 2.430 -5.842 648 HD11 LEU 81 HD11 LEU 81 3.409 4.885 -5.352 649 HD12 LEU 81 HD12 LEU 81 4.393 3.698 -4.543 650 HD13 LEU 81 HD13 LEU 81 3.075 4.508 -3.650 651 HD21 LEU 81 HD21 LEU 81 2.892 1.229 -3.904 652 HD22 LEU 81 HD22 LEU 81 1.174 1.533 -4.062 653 HD23 LEU 81 HD23 LEU 81 2.158 2.532 -2.968 654 H MET 82 HN MET 82 -1.646 2.711 -6.179 655 HA MET 82 HA MET 82 -1.615 0.087 -4.998 656 HB2 MET 82 HB2 MET 82 -3.969 1.713 -5.989 657 HB3 MET 82 HB3 MET 82 -4.084 0.268 -5.010 658 HG2 MET 82 HG2 MET 82 -2.518 1.468 -3.310 659 HG3 MET 82 HG3 MET 82 -2.788 2.926 -4.245 660 HE1 MET 82 HE1 MET 82 -3.976 0.678 -1.437 661 HE2 MET 82 HE2 MET 82 -5.747 0.691 -1.620 662 HE3 MET 82 HE3 MET 82 -4.726 -0.089 -2.853 663 H HIS 83 HN HIS 83 -2.475 1.164 -8.319 664 HA HIS 83 HA HIS 83 -3.740 -1.229 -9.125 665 HB2 HIS 83 HB2 HIS 83 -3.812 0.934 -10.298 666 HB3 HIS 83 HB3 HIS 83 -2.125 0.775 -10.754 667 HD1 HIS 83 HD1 HIS 83 -2.119 0.242 -13.293 668 HD2 HIS 83 HD2 HIS 83 -4.804 -2.045 -11.000 669 HE1 HIS 83 HE1 HIS 83 -2.940 -1.617 -14.803 670 H PHE 84 HN PHE 84 -0.369 -0.220 -9.099 671 HA PHE 84 HA PHE 84 0.802 -2.473 -10.360 672 HB2 PHE 84 HB2 PHE 84 2.068 -0.509 -9.778 673 HB3 PHE 84 HB3 PHE 84 1.907 -0.821 -8.054 674 HD1 PHE 84 HD2 PHE 84 3.036 -2.753 -7.002 675 HD2 PHE 84 HD1 PHE 84 3.707 -1.694 -11.116 676 HE1 PHE 84 HE2 PHE 84 5.150 -4.082 -7.006 677 HE2 PHE 84 HE1 PHE 84 5.785 -3.018 -11.123 678 HZ PHE 84 HZ PHE 84 6.515 -4.243 -9.041 679 H ALA 85 HN ALA 85 -0.307 -2.216 -6.945 680 HA ALA 85 HA ALA 85 0.623 -4.875 -6.259 681 HB1 ALA 85 HB1 ALA 85 0.220 -3.146 -4.550 682 HB2 ALA 85 HB2 ALA 85 -1.512 -3.158 -4.933 683 HB3 ALA 85 HB3 ALA 85 -0.742 -4.610 -4.255 684 H THR 86 HN THR 86 -2.539 -3.518 -7.361 685 HA THR 86 HA THR 86 -4.045 -5.897 -7.317 686 HB THR 86 HB THR 86 -4.194 -3.584 -9.293 687 HG1 THR 86 HG1 THR 86 -5.164 -3.912 -6.652 688 HG21 THR 86 HG21 THR 86 -6.615 -4.046 -9.336 689 HG22 THR 86 HG22 THR 86 -6.354 -5.490 -8.335 690 HG23 THR 86 HG23 THR 86 -5.662 -5.392 -9.969 691 H GLU 87 HN GLU 87 -1.969 -4.565 -9.941 692 HA GLU 87 HA GLU 87 -2.362 -6.574 -11.864 693 HB2 GLU 87 HB2 GLU 87 -0.334 -4.428 -11.254 694 HB3 GLU 87 HB3 GLU 87 0.204 -5.696 -12.353 695 HG2 GLU 87 HG2 GLU 87 -2.277 -4.002 -12.725 696 HG3 GLU 87 HG3 GLU 87 -0.724 -3.712 -13.501 697 H ASN 88 HN ASN 88 0.145 -6.404 -9.270 698 HA ASN 88 HA ASN 88 1.358 -8.831 -10.367 699 HB2 ASN 88 HB2 ASN 88 2.122 -7.036 -8.036 700 HB3 ASN 88 HB3 ASN 88 2.959 -8.538 -8.419 701 HD21 ASN 88 HD21 ASN 88 2.276 -5.233 -9.656 702 HD22 ASN 88 HD22 ASN 88 3.596 -5.274 -10.805 703 H GLN 89 HN GLN 89 -1.382 -8.481 -8.801 704 HA GLN 89 HA GLN 89 -2.667 -9.541 -7.414 705 HB2 GLN 89 HB2 GLN 89 -1.011 -12.056 -7.634 706 HB3 GLN 89 HB3 GLN 89 -2.699 -11.910 -7.270 707 HG2 GLN 89 HG2 GLN 89 -2.996 -12.477 -9.424 708 HG3 GLN 89 HG3 GLN 89 -2.739 -10.761 -9.754 709 HE21 GLN 89 HE21 GLN 89 -0.974 -10.309 -11.232 710 HE22 GLN 89 HE22 GLN 89 0.249 -11.482 -11.619 711 H LEU 90 HN LEU 90 -0.475 -8.074 -6.258 712 HA LEU 90 HA LEU 90 0.566 -9.653 -4.030 713 HB2 LEU 90 HB2 LEU 90 0.795 -6.711 -4.755 714 HB3 LEU 90 HB3 LEU 90 1.508 -7.411 -3.298 715 HG LEU 90 HG LEU 90 2.104 -8.472 -6.093 716 HD11 LEU 90 HD11 LEU 90 3.813 -6.549 -4.461 717 HD12 LEU 90 HD12 LEU 90 2.890 -6.113 -5.914 718 HD13 LEU 90 HD13 LEU 90 4.217 -7.284 -6.038 719 HD21 LEU 90 HD21 LEU 90 4.130 -9.367 -4.988 720 HD22 LEU 90 HD22 LEU 90 2.616 -10.108 -4.462 721 HD23 LEU 90 HD23 LEU 90 3.432 -8.917 -3.411 722 H ASN 91 HN ASN 91 0.105 -9.362 -1.890 723 HA ASN 91 HA ASN 91 -2.717 -9.056 -1.293 724 HB2 ASN 91 HB2 ASN 91 -0.732 -10.630 -0.276 725 HB3 ASN 91 HB3 ASN 91 -0.616 -9.297 0.848 726 HD21 ASN 91 HD21 ASN 91 -1.092 -11.166 2.289 727 HD22 ASN 91 HD22 ASN 91 -2.803 -11.380 2.677 728 H ILE 92 HN ILE 92 -3.456 -6.931 -1.249 729 HA ILE 92 HA ILE 92 -1.753 -4.785 -0.126 730 HB ILE 92 HB ILE 92 -4.681 -4.689 -1.002 731 HG12 ILE 92 HG12 ILE 92 -2.163 -3.749 -2.456 732 HG13 ILE 92 HG13 ILE 92 -3.173 -5.125 -2.920 733 HG21 ILE 92 HG21 ILE 92 -4.409 -2.221 -0.803 734 HG22 ILE 92 HG22 ILE 92 -4.087 -3.013 0.721 735 HG23 ILE 92 HG23 ILE 92 -2.725 -2.455 -0.262 736 HD11 ILE 92 HD11 ILE 92 -5.110 -3.517 -3.190 737 HD12 ILE 92 HD12 ILE 92 -3.943 -2.192 -3.036 738 HD13 ILE 92 HD13 ILE 92 -3.793 -3.340 -4.368 739 H LEU 93 HN LEU 93 -1.531 -4.899 2.055 740 HA LEU 93 HA LEU 93 -3.804 -5.713 3.703 741 HB2 LEU 93 HB2 LEU 93 -1.023 -4.912 4.576 742 HB3 LEU 93 HB3 LEU 93 -2.299 -5.674 5.520 743 HG LEU 93 HG LEU 93 -0.738 -6.871 3.328 744 HD11 LEU 93 HD11 LEU 93 -0.432 -7.408 6.281 745 HD12 LEU 93 HD12 LEU 93 0.670 -6.467 5.260 746 HD13 LEU 93 HD13 LEU 93 0.469 -8.200 4.976 747 HD21 LEU 93 HD21 LEU 93 -1.630 -9.099 4.057 748 HD22 LEU 93 HD22 LEU 93 -2.847 -8.016 3.372 749 HD23 LEU 93 HD23 LEU 93 -2.744 -8.232 5.132 750 H ASP 94 HN ASP 94 -4.000 -4.362 5.436 751 HA ASP 94 HA ASP 94 -3.942 -1.418 4.832 752 HB2 ASP 94 HB2 ASP 94 -6.077 -2.706 5.442 753 HB3 ASP 94 HB3 ASP 94 -5.497 -2.726 7.081 754 H ALA 95 HN ALA 95 -4.099 -0.305 7.145 755 HA ALA 95 HA ALA 95 -1.428 -0.501 8.337 756 HB1 ALA 95 HB1 ALA 95 -2.493 1.641 8.496 757 HB2 ALA 95 HB2 ALA 95 -3.853 0.944 9.429 758 HB3 ALA 95 HB3 ALA 95 -2.227 1.040 10.123 759 H GLU 96 HN GLU 96 -4.504 -2.205 9.212 760 HA GLU 96 HA GLU 96 -3.377 -3.125 11.727 761 HB2 GLU 96 HB2 GLU 96 -5.664 -3.989 9.920 762 HB3 GLU 96 HB3 GLU 96 -5.230 -4.882 11.378 763 HG2 GLU 96 HG2 GLU 96 -5.815 -1.897 11.538 764 HG3 GLU 96 HG3 GLU 96 -7.111 -3.097 11.538 765 H GLY 97 HN GLY 97 -2.724 -3.763 8.412 766 HA2 GLY 97 HA2 GLY 97 -1.418 -5.291 7.369 767 HA3 GLY 97 HA1 GLY 97 -1.044 -6.107 8.853 768 H ASN 98 HN ASN 98 -4.432 -5.502 8.060 769 HA ASN 98 HA ASN 98 -4.876 -8.395 7.519 770 HB2 ASN 98 HB2 ASN 98 -6.917 -6.167 7.843 771 HB3 ASN 98 HB3 ASN 98 -7.254 -7.890 7.681 772 HD21 ASN 98 HD21 ASN 98 -7.702 -5.783 9.853 773 HD22 ASN 98 HD22 ASN 98 -7.079 -6.460 11.332 774 H SER 99 HN SER 99 -5.668 -9.025 5.489 775 HA SER 99 HA SER 99 -5.048 -7.407 3.238 776 HB2 SER 99 HB2 SER 99 -6.243 -9.268 2.026 777 HB3 SER 99 HB3 SER 99 -4.900 -9.763 3.058 778 HG SER 99 HG SER 99 -7.400 -9.686 4.273 779 H ILE 100 HN ILE 100 -6.248 -5.941 2.087 780 HA ILE 100 HA ILE 100 -9.197 -5.919 2.335 781 HB ILE 100 HB ILE 100 -9.098 -3.423 2.354 782 HG12 ILE 100 HG12 ILE 100 -6.226 -3.655 3.340 783 HG13 ILE 100 HG13 ILE 100 -6.607 -3.322 1.660 784 HG21 ILE 100 HG21 ILE 100 -8.934 -3.207 4.733 785 HG22 ILE 100 HG22 ILE 100 -9.581 -4.811 4.389 786 HG23 ILE 100 HG23 ILE 100 -7.881 -4.634 4.862 787 HD11 ILE 100 HD11 ILE 100 -6.182 -1.244 2.885 788 HD12 ILE 100 HD12 ILE 100 -7.848 -1.300 2.262 789 HD13 ILE 100 HD13 ILE 100 -7.532 -1.581 3.978 790 H ASP 101 HN ASP 101 -10.119 -4.421 0.617 791 HA ASP 101 HA ASP 101 -8.776 -4.779 -1.998 792 HB2 ASP 101 HB2 ASP 101 -11.518 -3.965 -1.082 793 HB3 ASP 101 HB3 ASP 101 -10.971 -3.359 -2.589 794 H ALA 102 HN ALA 102 -8.666 -2.853 -3.333 795 HA ALA 102 HA ALA 102 -7.104 -0.837 -1.934 796 HB1 ALA 102 HB1 ALA 102 -6.480 -1.700 -4.203 797 HB2 ALA 102 HB2 ALA 102 -7.977 -1.003 -4.866 798 HB3 ALA 102 HB3 ALA 102 -6.724 0.062 -4.225 799 H ALA 103 HN ALA 103 -10.376 -0.944 -3.293 800 HA ALA 103 HA ALA 103 -10.740 1.841 -3.581 801 HB1 ALA 103 HB1 ALA 103 -13.168 1.344 -3.533 802 HB2 ALA 103 HB2 ALA 103 -12.285 0.189 -4.555 803 HB3 ALA 103 HB3 ALA 103 -12.830 -0.290 -2.923 804 H GLN 104 HN GLN 104 -11.130 -0.221 -0.750 805 HA GLN 104 HA GLN 104 -12.368 1.565 1.045 806 HB2 GLN 104 HB2 GLN 104 -10.495 -0.823 1.319 807 HB3 GLN 104 HB3 GLN 104 -11.030 0.100 2.749 808 HG2 GLN 104 HG2 GLN 104 -13.428 -0.297 1.572 809 HG3 GLN 104 HG3 GLN 104 -12.555 -1.677 0.891 810 HE21 GLN 104 HE21 GLN 104 -13.494 -3.404 1.980 811 HE22 GLN 104 HE22 GLN 104 -13.731 -3.411 3.739 812 H VAL 105 HN VAL 105 -9.112 1.632 -0.221 813 HA VAL 105 HA VAL 105 -8.041 3.227 2.001 814 HB VAL 105 HB VAL 105 -6.823 2.378 -0.661 815 HG11 VAL 105 HG11 VAL 105 -5.445 3.275 1.876 816 HG12 VAL 105 HG12 VAL 105 -4.675 2.734 0.361 817 HG13 VAL 105 HG13 VAL 105 -5.619 4.229 0.384 818 HG21 VAL 105 HG21 VAL 105 -7.375 0.341 0.594 819 HG22 VAL 105 HG22 VAL 105 -5.632 0.626 0.632 820 HG23 VAL 105 HG23 VAL 105 -6.612 1.033 2.052 821 H THR 106 HN THR 106 -8.786 3.568 -1.527 822 HA THR 106 HA THR 106 -7.713 6.209 -1.615 823 HB THR 106 HB THR 106 -8.961 6.284 -3.855 824 HG1 THR 106 HG1 THR 106 -10.422 4.467 -3.012 825 HG21 THR 106 HG21 THR 106 -7.084 3.918 -3.426 826 HG22 THR 106 HG22 THR 106 -6.573 5.607 -3.701 827 HG23 THR 106 HG23 THR 106 -7.424 4.748 -4.968 828 H GLU 107 HN GLU 107 -10.670 5.165 -0.417 829 HA GLU 107 HA GLU 107 -12.217 7.499 -1.257 830 HB2 GLU 107 HB2 GLU 107 -14.108 6.354 -0.365 831 HB3 GLU 107 HB3 GLU 107 -13.170 5.268 -1.384 832 HG2 GLU 107 HG2 GLU 107 -12.225 4.151 0.570 833 HG3 GLU 107 HG3 GLU 107 -12.975 5.314 1.657 834 H ILE 108 HN ILE 108 -9.905 7.443 0.864 835 HA ILE 108 HA ILE 108 -11.348 8.675 3.145 836 HB ILE 108 HB ILE 108 -8.491 7.651 2.942 837 HG12 ILE 108 HG12 ILE 108 -10.938 6.271 4.177 838 HG13 ILE 108 HG13 ILE 108 -10.186 5.780 2.670 839 HG21 ILE 108 HG21 ILE 108 -8.553 7.853 5.399 840 HG22 ILE 108 HG22 ILE 108 -9.047 9.415 4.706 841 HG23 ILE 108 HG23 ILE 108 -10.263 8.304 5.352 842 HD11 ILE 108 HD11 ILE 108 -8.098 5.217 3.821 843 HD12 ILE 108 HD12 ILE 108 -8.852 5.620 5.387 844 HD13 ILE 108 HD13 ILE 108 -9.490 4.294 4.408 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -23.588 1.682 7.119 2 HA2 GLY 1 HA2 GLY 1 -21.388 2.291 6.291 3 HA3 GLY 1 HA1 GLY 1 -21.257 1.223 7.709 4 H MET 2 HN MET 2 -19.077 0.907 6.687 5 HA MET 2 HA MET 2 -19.090 -1.195 4.568 6 HB2 MET 2 HB2 MET 2 -17.325 1.281 4.719 7 HB3 MET 2 HB3 MET 2 -17.101 -0.077 3.618 8 HG2 MET 2 HG2 MET 2 -18.157 1.571 2.346 9 HG3 MET 2 HG3 MET 2 -19.410 0.383 2.702 10 HE1 MET 2 HE1 MET 2 -20.244 3.043 1.436 11 HE2 MET 2 HE2 MET 2 -21.409 1.842 2.054 12 HE3 MET 2 HE3 MET 2 -21.577 3.557 2.493 13 H GLY 3 HN GLY 3 -19.155 -2.294 6.779 14 HA2 GLY 3 HA2 GLY 3 -17.869 -3.822 8.064 15 HA3 GLY 3 HA1 GLY 3 -16.413 -2.835 7.782 16 H THR 4 HN THR 4 -17.892 -3.708 10.274 17 HA THR 4 HA THR 4 -18.474 -3.013 12.326 18 HB THR 4 HB THR 4 -16.032 -3.210 11.915 19 HG1 THR 4 HG1 THR 4 -15.520 -2.356 13.999 20 HG21 THR 4 HG21 THR 4 -15.954 -0.200 12.356 21 HG22 THR 4 HG22 THR 4 -15.645 -1.006 10.796 22 HG23 THR 4 HG23 THR 4 -14.592 -1.337 12.165 23 H THR 5 HN THR 5 -19.426 -0.907 10.275 24 HA THR 5 HA THR 5 -20.462 0.875 10.002 25 HB THR 5 HB THR 5 -21.888 -0.076 11.770 26 HG1 THR 5 HG1 THR 5 -21.794 2.682 11.183 27 HG21 THR 5 HG21 THR 5 -20.856 0.423 13.888 28 HG22 THR 5 HG22 THR 5 -22.313 1.384 13.779 29 HG23 THR 5 HG23 THR 5 -20.739 2.154 13.502 30 H GLU 6 HN GLU 6 -17.613 0.988 11.178 31 HA GLU 6 HA GLU 6 -17.424 3.667 10.125 32 HB2 GLU 6 HB2 GLU 6 -16.057 4.676 11.755 33 HB3 GLU 6 HB3 GLU 6 -17.603 4.230 12.471 34 HG2 GLU 6 HG2 GLU 6 -16.681 2.480 13.746 35 HG3 GLU 6 HG3 GLU 6 -15.197 2.422 12.812 36 H LYS 7 HN LYS 7 -14.604 4.061 10.612 37 HA LYS 7 HA LYS 7 -13.273 1.794 9.286 38 HB2 LYS 7 HB2 LYS 7 -12.038 3.465 7.952 39 HB3 LYS 7 HB3 LYS 7 -13.681 3.102 7.438 40 HG2 LYS 7 HG2 LYS 7 -14.516 5.204 8.256 41 HG3 LYS 7 HG3 LYS 7 -12.973 5.582 9.060 42 HD2 LYS 7 HD2 LYS 7 -11.820 5.852 7.026 43 HD3 LYS 7 HD3 LYS 7 -13.092 5.068 6.073 44 HE2 LYS 7 HE2 LYS 7 -14.183 7.318 7.574 45 HE3 LYS 7 HE3 LYS 7 -12.805 7.866 6.621 46 HZ1 LYS 7 HZ1 LYS 7 -14.871 6.201 5.351 47 HZ2 LYS 7 HZ2 LYS 7 -13.917 7.385 4.653 48 HZ3 LYS 7 HZ3 LYS 7 -15.174 7.763 5.634 49 H SER 8 HN SER 8 -11.220 1.477 10.290 50 HA SER 8 HA SER 8 -10.761 2.913 12.713 51 HB2 SER 8 HB2 SER 8 -8.572 1.382 12.444 52 HB3 SER 8 HB3 SER 8 -10.140 0.788 12.984 53 HG SER 8 HG SER 8 -9.365 -0.570 11.535 54 H GLY 9 HN GLY 9 -8.536 3.703 13.296 55 HA2 GLY 9 HA2 GLY 9 -7.931 6.011 11.765 56 HA3 GLY 9 HA1 GLY 9 -7.089 5.411 13.213 57 H ILE 10 HN ILE 10 -7.420 3.550 10.300 58 HA ILE 10 HA ILE 10 -4.603 3.029 9.975 59 HB ILE 10 HB ILE 10 -7.150 2.332 8.449 60 HG12 ILE 10 HG12 ILE 10 -5.346 0.736 10.316 61 HG13 ILE 10 HG13 ILE 10 -6.980 1.271 10.650 62 HG21 ILE 10 HG21 ILE 10 -4.383 1.156 7.989 63 HG22 ILE 10 HG22 ILE 10 -5.900 0.846 7.118 64 HG23 ILE 10 HG23 ILE 10 -5.121 2.399 6.959 65 HD11 ILE 10 HD11 ILE 10 -7.108 -1.058 10.141 66 HD12 ILE 10 HD12 ILE 10 -7.752 -0.214 8.717 67 HD13 ILE 10 HD13 ILE 10 -6.096 -0.882 8.700 68 H LYS 11 HN LYS 11 -3.279 4.171 8.729 69 HA LYS 11 HA LYS 11 -4.281 5.878 6.509 70 HB2 LYS 11 HB2 LYS 11 -2.232 6.657 8.607 71 HB3 LYS 11 HB3 LYS 11 -2.607 7.625 7.205 72 HG2 LYS 11 HG2 LYS 11 -4.648 6.943 9.353 73 HG3 LYS 11 HG3 LYS 11 -3.691 8.400 9.340 74 HD2 LYS 11 HD2 LYS 11 -4.801 9.329 7.501 75 HD3 LYS 11 HD3 LYS 11 -5.207 7.744 6.837 76 HE2 LYS 11 HE2 LYS 11 -7.260 8.539 7.460 77 HE3 LYS 11 HE3 LYS 11 -6.807 7.380 8.714 78 HZ1 LYS 11 HZ1 LYS 11 -7.762 9.242 9.673 79 HZ2 LYS 11 HZ2 LYS 11 -6.795 10.331 8.945 80 HZ3 LYS 11 HZ3 LYS 11 -6.193 9.280 10.118 81 H GLU 12 HN GLU 12 -3.057 3.111 6.530 82 HA GLU 12 HA GLU 12 -0.845 3.571 4.706 83 HB2 GLU 12 HB2 GLU 12 0.122 3.957 6.997 84 HB3 GLU 12 HB3 GLU 12 -0.466 2.376 7.512 85 HG2 GLU 12 HG2 GLU 12 1.100 1.255 5.974 86 HG3 GLU 12 HG3 GLU 12 1.598 2.844 5.317 87 H ILE 13 HN ILE 13 -0.751 1.746 3.365 88 HA ILE 13 HA ILE 13 -2.042 -0.781 4.285 89 HB ILE 13 HB ILE 13 -2.170 -1.422 1.894 90 HG12 ILE 13 HG12 ILE 13 -2.348 1.015 0.508 91 HG13 ILE 13 HG13 ILE 13 -0.923 1.226 1.460 92 HG21 ILE 13 HG21 ILE 13 -4.123 -0.606 3.169 93 HG22 ILE 13 HG22 ILE 13 -3.854 1.008 2.429 94 HG23 ILE 13 HG23 ILE 13 -4.208 -0.412 1.417 95 HD11 ILE 13 HD11 ILE 13 -0.474 0.235 -0.776 96 HD12 ILE 13 HD12 ILE 13 0.052 -0.820 0.557 97 HD13 ILE 13 HD13 ILE 13 -1.465 -1.171 -0.331 98 H ILE 14 HN ILE 14 -0.823 -2.728 3.307 99 HA ILE 14 HA ILE 14 2.043 -2.174 3.067 100 HB ILE 14 HB ILE 14 0.938 -3.938 5.251 101 HG12 ILE 14 HG12 ILE 14 2.199 -1.184 5.522 102 HG13 ILE 14 HG13 ILE 14 0.503 -1.576 5.795 103 HG21 ILE 14 HG21 ILE 14 2.985 -4.891 5.032 104 HG22 ILE 14 HG22 ILE 14 3.608 -3.586 4.012 105 HG23 ILE 14 HG23 ILE 14 3.652 -3.441 5.765 106 HD11 ILE 14 HD11 ILE 14 1.081 -3.013 7.685 107 HD12 ILE 14 HD12 ILE 14 2.770 -2.476 7.526 108 HD13 ILE 14 HD13 ILE 14 1.504 -1.305 7.891 109 H ILE 15 HN ILE 15 1.991 -2.882 1.033 110 HA ILE 15 HA ILE 15 0.541 -5.160 0.055 111 HB ILE 15 HB ILE 15 2.774 -3.437 -1.051 112 HG12 ILE 15 HG12 ILE 15 -0.170 -3.789 -1.918 113 HG13 ILE 15 HG13 ILE 15 0.282 -2.698 -0.628 114 HG21 ILE 15 HG21 ILE 15 2.220 -6.026 -2.090 115 HG22 ILE 15 HG22 ILE 15 1.435 -4.901 -3.181 116 HG23 ILE 15 HG23 ILE 15 3.158 -4.747 -2.834 117 HD11 ILE 15 HD11 ILE 15 1.728 -1.440 -2.178 118 HD12 ILE 15 HD12 ILE 15 1.116 -2.430 -3.520 119 HD13 ILE 15 HD13 ILE 15 0.005 -1.411 -2.611 120 H GLN 16 HN GLN 16 0.966 -7.206 0.423 121 HA GLN 16 HA GLN 16 3.377 -7.972 1.752 122 HB2 GLN 16 HB2 GLN 16 0.772 -9.010 1.529 123 HB3 GLN 16 HB3 GLN 16 1.657 -10.081 0.454 124 HG2 GLN 16 HG2 GLN 16 3.306 -10.442 2.368 125 HG3 GLN 16 HG3 GLN 16 2.283 -9.357 3.342 126 HE21 GLN 16 HE21 GLN 16 1.853 -10.787 4.906 127 HE22 GLN 16 HE22 GLN 16 0.928 -12.281 4.686 128 H GLY 17 HN GLY 17 5.096 -9.216 0.985 129 HA2 GLY 17 HA2 GLY 17 5.697 -8.999 -1.870 130 HA3 GLY 17 HA1 GLY 17 6.725 -9.678 -0.623 131 H LEU 18 HN LEU 18 3.516 -10.912 -0.573 132 HA LEU 18 HA LEU 18 4.261 -13.503 -1.836 133 HB2 LEU 18 HB2 LEU 18 2.795 -12.690 0.666 134 HB3 LEU 18 HB3 LEU 18 1.987 -13.931 -0.317 135 HG LEU 18 HG LEU 18 3.985 -15.359 -0.230 136 HD11 LEU 18 HD11 LEU 18 5.075 -13.212 1.632 137 HD12 LEU 18 HD12 LEU 18 5.772 -13.641 0.056 138 HD13 LEU 18 HD13 LEU 18 5.813 -14.797 1.390 139 HD21 LEU 18 HD21 LEU 18 3.771 -15.891 2.210 140 HD22 LEU 18 HD22 LEU 18 2.194 -15.560 1.464 141 HD23 LEU 18 HD23 LEU 18 2.975 -14.322 2.460 142 H THR 19 HN THR 19 2.691 -14.453 -3.208 143 HA THR 19 HA THR 19 0.755 -12.585 -4.369 144 HB THR 19 HB THR 19 0.525 -14.163 -6.144 145 HG1 THR 19 HG1 THR 19 1.189 -16.158 -6.122 146 HG21 THR 19 HG21 THR 19 2.727 -14.296 -7.069 147 HG22 THR 19 HG22 THR 19 3.494 -14.259 -5.469 148 HG23 THR 19 HG23 THR 19 2.672 -12.808 -6.119 149 H ARG 20 HN ARG 20 -1.474 -13.467 -4.802 150 HA ARG 20 HA ARG 20 -2.997 -14.425 -2.716 151 HB2 ARG 20 HB2 ARG 20 -4.652 -15.077 -4.362 152 HB3 ARG 20 HB3 ARG 20 -3.890 -13.553 -4.796 153 HG2 ARG 20 HG2 ARG 20 -2.390 -14.977 -6.363 154 HG3 ARG 20 HG3 ARG 20 -3.548 -16.272 -6.127 155 HD2 ARG 20 HD2 ARG 20 -4.611 -13.546 -6.848 156 HD3 ARG 20 HD3 ARG 20 -3.660 -14.409 -8.074 157 HE ARG 20 HE ARG 20 -5.840 -16.005 -6.951 158 HH11 ARG 20 HH11 ARG 20 -5.373 -13.388 -9.259 159 HH12 ARG 20 HH12 ARG 20 -6.044 -14.201 -10.618 160 HH21 ARG 20 HH21 ARG 20 -6.997 -17.042 -8.654 161 HH22 ARG 20 HH22 ARG 20 -7.173 -16.235 -10.209 162 H ALA 21 HN ALA 21 -0.830 -16.326 -4.646 163 HA ALA 21 HA ALA 21 -2.021 -18.915 -3.947 164 HB1 ALA 21 HB1 ALA 21 -1.009 -18.400 -6.215 165 HB2 ALA 21 HB2 ALA 21 0.591 -18.362 -5.422 166 HB3 ALA 21 HB3 ALA 21 -0.373 -19.851 -5.427 167 H GLY 22 HN GLY 22 -0.168 -16.798 -2.152 168 HA2 GLY 22 HA2 GLY 22 0.844 -17.135 -0.163 169 HA3 GLY 22 HA1 GLY 22 0.592 -18.872 -0.333 170 H LYS 23 HN LYS 23 2.309 -17.493 -3.006 171 HA LYS 23 HA LYS 23 4.894 -18.534 -2.023 172 HB2 LYS 23 HB2 LYS 23 3.515 -18.343 -4.744 173 HB3 LYS 23 HB3 LYS 23 5.261 -18.206 -4.671 174 HG2 LYS 23 HG2 LYS 23 4.965 -20.489 -5.013 175 HG3 LYS 23 HG3 LYS 23 5.380 -20.263 -3.312 176 HD2 LYS 23 HD2 LYS 23 3.811 -21.940 -3.313 177 HD3 LYS 23 HD3 LYS 23 2.914 -20.532 -2.759 178 HE2 LYS 23 HE2 LYS 23 2.000 -20.281 -5.109 179 HE3 LYS 23 HE3 LYS 23 2.896 -21.736 -5.572 180 HZ1 LYS 23 HZ1 LYS 23 0.710 -22.429 -5.013 181 HZ2 LYS 23 HZ2 LYS 23 0.708 -21.559 -3.604 182 HZ3 LYS 23 HZ3 LYS 23 1.654 -22.881 -3.749 183 HA PRO 24 HA PRO 24 6.249 -14.338 -2.172 184 HB2 PRO 24 HB2 PRO 24 8.948 -14.558 -2.407 185 HB3 PRO 24 HB3 PRO 24 8.032 -15.057 -0.951 186 HG2 PRO 24 HG2 PRO 24 9.098 -16.784 -3.198 187 HG3 PRO 24 HG3 PRO 24 9.143 -17.091 -1.449 188 HD2 PRO 24 HD2 PRO 24 7.249 -18.133 -3.195 189 HD3 PRO 24 HD3 PRO 24 6.988 -17.911 -1.444 190 H PHE 25 HN PHE 25 6.440 -12.757 -3.667 191 HA PHE 25 HA PHE 25 6.365 -13.405 -6.513 192 HB2 PHE 25 HB2 PHE 25 5.001 -11.656 -5.537 193 HB3 PHE 25 HB3 PHE 25 6.431 -10.793 -4.962 194 HD1 PHE 25 HD1 PHE 25 5.139 -12.245 -8.229 195 HD2 PHE 25 HD2 PHE 25 7.008 -8.891 -6.226 196 HE1 PHE 25 HE1 PHE 25 5.285 -11.028 -10.366 197 HE2 PHE 25 HE2 PHE 25 7.072 -7.662 -8.371 198 HZ PHE 25 HZ PHE 25 6.225 -8.731 -10.444 199 H ARG 26 HN ARG 26 8.047 -12.396 -8.111 200 HA ARG 26 HA ARG 26 10.531 -11.771 -6.836 201 HB2 ARG 26 HB2 ARG 26 10.134 -13.733 -9.046 202 HB3 ARG 26 HB3 ARG 26 11.513 -12.734 -9.131 203 HG2 ARG 26 HG2 ARG 26 11.212 -13.856 -6.411 204 HG3 ARG 26 HG3 ARG 26 11.264 -15.125 -7.637 205 HD2 ARG 26 HD2 ARG 26 13.236 -12.959 -7.987 206 HD3 ARG 26 HD3 ARG 26 13.467 -13.918 -6.512 207 HE ARG 26 HE ARG 26 13.133 -15.882 -8.322 208 HH11 ARG 26 HH11 ARG 26 15.447 -13.107 -8.517 209 HH12 ARG 26 HH12 ARG 26 16.594 -14.079 -9.372 210 HH21 ARG 26 HH21 ARG 26 14.648 -17.032 -9.315 211 HH22 ARG 26 HH22 ARG 26 16.165 -16.362 -9.835 212 HA PRO 27 HA PRO 27 12.405 -11.035 -7.911 213 HB2 PRO 27 HB2 PRO 27 13.605 -8.590 -7.475 214 HB3 PRO 27 HB3 PRO 27 13.590 -9.400 -9.076 215 HG2 PRO 27 HG2 PRO 27 11.732 -7.220 -8.131 216 HG3 PRO 27 HG3 PRO 27 12.598 -7.332 -9.694 217 HD2 PRO 27 HD2 PRO 27 9.980 -8.134 -9.398 218 HD3 PRO 27 HD3 PRO 27 11.109 -8.993 -10.492 219 H SER 28 HN SER 28 12.845 -11.204 -5.634 220 HA SER 28 HA SER 28 11.025 -10.291 -3.686 221 HB2 SER 28 HB2 SER 28 13.951 -11.117 -3.609 222 HB3 SER 28 HB3 SER 28 12.883 -11.033 -2.202 223 HG SER 28 HG SER 28 13.074 -13.153 -3.243 224 H ASP 29 HN ASP 29 13.629 -8.737 -5.275 225 HA ASP 29 HA ASP 29 14.184 -6.628 -3.387 226 HB2 ASP 29 HB2 ASP 29 15.167 -7.173 -6.207 227 HB3 ASP 29 HB3 ASP 29 15.887 -6.062 -5.059 228 H TRP 30 HN TRP 30 11.538 -7.050 -5.262 229 HA TRP 30 HA TRP 30 11.176 -4.767 -6.840 230 HB2 TRP 30 HB2 TRP 30 8.832 -5.141 -6.602 231 HB3 TRP 30 HB3 TRP 30 9.600 -6.697 -6.701 232 HD1 TRP 30 HD1 TRP 30 9.241 -8.352 -4.533 233 HE1 TRP 30 HE1 TRP 30 7.936 -8.176 -2.401 234 HE3 TRP 30 HE3 TRP 30 7.689 -3.470 -4.857 235 HZ2 TRP 30 HZ2 TRP 30 5.707 -6.491 -1.386 236 HZ3 TRP 30 HZ3 TRP 30 5.984 -2.641 -3.276 237 HH2 TRP 30 HH2 TRP 30 4.983 -4.135 -1.570 238 H VAL 31 HN VAL 31 11.290 -5.097 -3.459 239 HA VAL 31 HA VAL 31 9.870 -3.010 -2.400 240 HB VAL 31 HB VAL 31 12.412 -4.426 -1.467 241 HG11 VAL 31 HG11 VAL 31 11.786 -3.809 0.829 242 HG12 VAL 31 HG12 VAL 31 12.115 -2.360 -0.125 243 HG13 VAL 31 HG13 VAL 31 10.439 -2.829 0.220 244 HG21 VAL 31 HG21 VAL 31 9.448 -4.938 -1.092 245 HG22 VAL 31 HG22 VAL 31 10.615 -5.982 -1.911 246 HG23 VAL 31 HG23 VAL 31 10.737 -5.771 -0.171 247 H ASP 32 HN ASP 32 13.404 -2.927 -3.245 248 HA ASP 32 HA ASP 32 13.400 -0.124 -2.384 249 HB2 ASP 32 HB2 ASP 32 15.357 -2.178 -2.657 250 HB3 ASP 32 HB3 ASP 32 15.851 -0.884 -3.744 251 H ARG 33 HN ARG 33 12.892 -1.800 -5.354 252 HA ARG 33 HA ARG 33 13.589 0.366 -7.159 253 HB2 ARG 33 HB2 ARG 33 11.413 -1.730 -7.513 254 HB3 ARG 33 HB3 ARG 33 12.073 -0.669 -8.757 255 HG2 ARG 33 HG2 ARG 33 14.363 -1.802 -8.284 256 HG3 ARG 33 HG3 ARG 33 13.444 -2.948 -7.336 257 HD2 ARG 33 HD2 ARG 33 13.662 -3.978 -9.424 258 HD3 ARG 33 HD3 ARG 33 11.994 -3.380 -9.393 259 HE ARG 33 HE ARG 33 14.239 -1.879 -10.744 260 HH11 ARG 33 HH11 ARG 33 10.789 -2.655 -10.854 261 HH12 ARG 33 HH12 ARG 33 10.719 -2.598 -12.584 262 HH21 ARG 33 HH21 ARG 33 14.108 -1.679 -12.955 263 HH22 ARG 33 HH22 ARG 33 12.587 -1.596 -13.765 264 H MET 34 HN MET 34 10.708 -0.362 -5.109 265 HA MET 34 HA MET 34 9.074 1.689 -6.265 266 HB2 MET 34 HB2 MET 34 9.094 0.600 -3.406 267 HB3 MET 34 HB3 MET 34 7.877 1.697 -4.065 268 HG2 MET 34 HG2 MET 34 8.391 -1.136 -5.039 269 HG3 MET 34 HG3 MET 34 7.069 -0.588 -4.069 270 HE1 MET 34 HE1 MET 34 5.042 -1.131 -5.317 271 HE2 MET 34 HE2 MET 34 5.020 0.562 -4.752 272 HE3 MET 34 HE3 MET 34 4.424 0.142 -6.374 273 H CYS 35 HN CYS 35 11.392 1.764 -3.442 274 HA CYS 35 HA CYS 35 10.627 4.454 -2.891 275 HB2 CYS 35 HB2 CYS 35 12.513 4.601 -1.375 276 HB3 CYS 35 HB3 CYS 35 11.551 3.140 -1.131 277 HG CYS 35 HG CYS 35 14.490 3.446 -2.608 278 H SER 36 HN SER 36 13.310 3.191 -4.958 279 HA SER 36 HA SER 36 14.336 5.770 -5.580 280 HB2 SER 36 HB2 SER 36 14.263 3.371 -7.361 281 HB3 SER 36 HB3 SER 36 15.415 4.736 -7.416 282 HG SER 36 HG SER 36 15.814 2.510 -6.285 283 H THR 37 HN THR 37 11.687 3.854 -7.121 284 HA THR 37 HA THR 37 11.343 5.665 -9.320 285 HB THR 37 HB THR 37 9.368 3.645 -8.163 286 HG1 THR 37 HG1 THR 37 11.145 2.519 -8.597 287 HG21 THR 37 HG21 THR 37 8.301 5.026 -9.876 288 HG22 THR 37 HG22 THR 37 8.652 3.437 -10.557 289 HG23 THR 37 HG23 THR 37 9.701 4.812 -10.964 290 H TYR 38 HN TYR 38 10.173 5.661 -6.026 291 HA TYR 38 HA TYR 38 8.484 8.074 -6.510 292 HB2 TYR 38 HB2 TYR 38 8.410 5.839 -4.480 293 HB3 TYR 38 HB3 TYR 38 7.595 7.358 -4.203 294 HD1 TYR 38 HD2 TYR 38 7.716 4.754 -6.971 295 HD2 TYR 38 HD1 TYR 38 5.326 7.361 -4.503 296 HE1 TYR 38 HE2 TYR 38 5.699 4.017 -8.158 297 HE2 TYR 38 HE1 TYR 38 3.287 6.514 -5.602 298 HH TYR 38 HH TYR 38 2.399 5.114 -7.255 299 H ALA 39 HN ALA 39 11.226 8.371 -6.552 300 HA ALA 39 HA ALA 39 11.723 9.887 -4.038 301 HB1 ALA 39 HB1 ALA 39 14.171 9.517 -4.531 302 HB2 ALA 39 HB2 ALA 39 13.319 8.059 -4.023 303 HB3 ALA 39 HB3 ALA 39 13.707 8.319 -5.732 304 H SER 40 HN SER 40 13.331 11.630 -4.485 305 HA SER 40 HA SER 40 13.413 12.522 -7.308 306 HB2 SER 40 HB2 SER 40 12.862 14.432 -5.005 307 HB3 SER 40 HB3 SER 40 12.936 14.816 -6.736 308 HG SER 40 HG SER 40 11.018 13.295 -5.298 309 H PHE 41 HN PHE 41 15.285 13.740 -7.782 310 HA PHE 41 HA PHE 41 17.577 13.551 -5.962 311 HB2 PHE 41 HB2 PHE 41 16.971 14.779 -8.661 312 HB3 PHE 41 HB3 PHE 41 18.384 15.290 -7.758 313 HD1 PHE 41 HD1 PHE 41 17.609 11.739 -7.278 314 HD2 PHE 41 HD2 PHE 41 19.583 14.544 -9.890 315 HE1 PHE 41 HE1 PHE 41 18.946 9.911 -8.212 316 HE2 PHE 41 HE2 PHE 41 20.908 12.689 -10.849 317 HZ PHE 41 HZ PHE 41 20.583 10.364 -10.019 318 H GLY 42 HN GLY 42 18.202 15.102 -4.581 319 HA2 GLY 42 HA2 GLY 42 16.493 17.390 -3.945 320 HA3 GLY 42 HA1 GLY 42 18.021 16.936 -3.188 321 H ALA 43 HN ALA 43 17.765 19.517 -3.630 322 HA ALA 43 HA ALA 43 18.541 20.668 -6.009 323 HB1 ALA 43 HB1 ALA 43 19.478 21.416 -3.223 324 HB2 ALA 43 HB2 ALA 43 19.454 22.495 -4.639 325 HB3 ALA 43 HB3 ALA 43 17.929 21.892 -3.940 326 H ASP 44 HN ASP 44 20.569 18.888 -3.747 327 HA ASP 44 HA ASP 44 23.062 19.542 -5.115 328 HB2 ASP 44 HB2 ASP 44 22.693 19.039 -2.612 329 HB3 ASP 44 HB3 ASP 44 22.611 17.338 -3.079 330 H ARG 45 HN ARG 45 20.639 17.730 -6.226 331 HA ARG 45 HA ARG 45 20.314 16.085 -7.691 332 HB2 ARG 45 HB2 ARG 45 23.153 16.817 -8.448 333 HB3 ARG 45 HB3 ARG 45 22.280 15.533 -9.283 334 HG2 ARG 45 HG2 ARG 45 22.096 17.589 -10.517 335 HG3 ARG 45 HG3 ARG 45 20.505 17.053 -9.964 336 HD2 ARG 45 HD2 ARG 45 20.460 18.752 -8.250 337 HD3 ARG 45 HD3 ARG 45 22.139 19.206 -8.558 338 HE ARG 45 HE ARG 45 21.495 20.040 -10.733 339 HH11 ARG 45 HH11 ARG 45 18.926 19.796 -8.321 340 HH12 ARG 45 HH12 ARG 45 17.925 21.029 -9.018 341 HH21 ARG 45 HH21 ARG 45 20.111 21.480 -11.834 342 HH22 ARG 45 HH22 ARG 45 18.587 21.898 -11.192 343 H LYS 46 HN LYS 46 21.278 15.374 -4.946 344 HA LYS 46 HA LYS 46 22.117 12.580 -5.470 345 HB2 LYS 46 HB2 LYS 46 23.254 14.117 -3.663 346 HB3 LYS 46 HB3 LYS 46 21.766 13.884 -2.751 347 HG2 LYS 46 HG2 LYS 46 23.298 12.237 -1.966 348 HG3 LYS 46 HG3 LYS 46 22.133 11.371 -2.959 349 HD2 LYS 46 HD2 LYS 46 24.310 10.508 -3.426 350 HD3 LYS 46 HD3 LYS 46 23.809 11.369 -4.861 351 HE2 LYS 46 HE2 LYS 46 25.318 13.054 -2.908 352 HE3 LYS 46 HE3 LYS 46 26.205 11.629 -3.437 353 HZ1 LYS 46 HZ1 LYS 46 26.755 13.312 -4.912 354 HZ2 LYS 46 HZ2 LYS 46 25.222 13.805 -5.191 355 HZ3 LYS 46 HZ3 LYS 46 25.713 12.374 -5.771 356 H LEU 47 HN LEU 47 20.569 10.889 -5.128 357 HA LEU 47 HA LEU 47 17.840 11.477 -5.225 358 HB2 LEU 47 HB2 LEU 47 19.367 9.468 -6.006 359 HB3 LEU 47 HB3 LEU 47 19.208 8.913 -4.386 360 HG LEU 47 HG LEU 47 17.959 7.820 -6.114 361 HD11 LEU 47 HD11 LEU 47 16.207 8.830 -3.862 362 HD12 LEU 47 HD12 LEU 47 17.462 7.591 -3.665 363 HD13 LEU 47 HD13 LEU 47 16.071 7.306 -4.749 364 HD21 LEU 47 HD21 LEU 47 17.053 9.630 -7.335 365 HD22 LEU 47 HD22 LEU 47 16.180 10.221 -5.894 366 HD23 LEU 47 HD23 LEU 47 15.730 8.687 -6.694 367 H ARG 48 HN ARG 48 16.171 11.251 -3.703 368 HA ARG 48 HA ARG 48 16.809 10.549 -0.887 369 HB2 ARG 48 HB2 ARG 48 15.366 13.031 -1.935 370 HB3 ARG 48 HB3 ARG 48 14.972 12.344 -0.382 371 HG2 ARG 48 HG2 ARG 48 16.460 13.949 0.248 372 HG3 ARG 48 HG3 ARG 48 17.505 12.540 0.160 373 HD2 ARG 48 HD2 ARG 48 18.163 13.287 -2.177 374 HD3 ARG 48 HD3 ARG 48 17.164 14.723 -1.947 375 HE ARG 48 HE ARG 48 18.717 15.637 -0.591 376 HH11 ARG 48 HH11 ARG 48 19.645 12.194 -1.104 377 HH12 ARG 48 HH12 ARG 48 21.089 12.299 -0.202 378 HH21 ARG 48 HH21 ARG 48 20.704 15.810 0.518 379 HH22 ARG 48 HH22 ARG 48 21.785 14.450 0.654 380 H TYR 49 HN TYR 49 15.695 8.689 -0.630 381 HA TYR 49 HA TYR 49 13.195 8.037 -1.885 382 HB2 TYR 49 HB2 TYR 49 14.237 7.166 0.823 383 HB3 TYR 49 HB3 TYR 49 13.023 6.355 -0.140 384 HD1 TYR 49 HD1 TYR 49 14.559 6.551 -2.882 385 HD2 TYR 49 HD2 TYR 49 15.761 5.378 1.091 386 HE1 TYR 49 HE1 TYR 49 16.386 5.207 -3.847 387 HE2 TYR 49 HE2 TYR 49 17.561 3.989 0.130 388 HH TYR 49 HH TYR 49 17.853 3.079 -3.024 389 H SER 50 HN SER 50 11.107 8.213 -1.078 390 HA SER 50 HA SER 50 10.572 10.551 0.611 391 HB2 SER 50 HB2 SER 50 8.711 8.620 -0.842 392 HB3 SER 50 HB3 SER 50 8.249 10.163 -0.106 393 HG SER 50 HG SER 50 9.494 9.647 -2.508 394 HA PRO 51 HA PRO 51 9.621 8.063 4.210 395 HB2 PRO 51 HB2 PRO 51 7.783 9.545 5.546 396 HB3 PRO 51 HB3 PRO 51 9.487 10.071 5.348 397 HG2 PRO 51 HG2 PRO 51 7.078 10.921 3.693 398 HG3 PRO 51 HG3 PRO 51 8.359 11.947 4.421 399 HD2 PRO 51 HD2 PRO 51 8.441 11.162 1.820 400 HD3 PRO 51 HD3 PRO 51 9.921 11.370 2.800 401 H TYR 52 HN TYR 52 7.213 8.727 1.779 402 HA TYR 52 HA TYR 52 5.027 7.405 3.058 403 HB2 TYR 52 HB2 TYR 52 5.322 8.023 0.085 404 HB3 TYR 52 HB3 TYR 52 3.837 7.745 0.970 405 HD1 TYR 52 HD1 TYR 52 3.645 9.357 3.159 406 HD2 TYR 52 HD2 TYR 52 5.536 10.235 -0.584 407 HE1 TYR 52 HE1 TYR 52 3.560 11.730 3.720 408 HE2 TYR 52 HE2 TYR 52 5.341 12.660 -0.131 409 HH TYR 52 HH TYR 52 4.649 14.278 1.361 410 H LEU 53 HN LEU 53 7.708 5.865 2.200 411 HA LEU 53 HA LEU 53 6.430 3.429 1.196 412 HB2 LEU 53 HB2 LEU 53 7.844 5.464 -0.393 413 HB3 LEU 53 HB3 LEU 53 8.570 3.866 -0.566 414 HG LEU 53 HG LEU 53 5.615 4.454 -1.001 415 HD11 LEU 53 HD11 LEU 53 6.962 5.635 -2.622 416 HD12 LEU 53 HD12 LEU 53 6.136 4.289 -3.406 417 HD13 LEU 53 HD13 LEU 53 7.859 4.140 -3.013 418 HD21 LEU 53 HD21 LEU 53 5.864 2.138 -0.501 419 HD22 LEU 53 HD22 LEU 53 7.279 1.980 -1.577 420 HD23 LEU 53 HD23 LEU 53 5.655 2.264 -2.241 421 H LYS 54 HN LYS 54 7.166 2.298 2.999 422 HA LYS 54 HA LYS 54 10.109 2.211 3.362 423 HB2 LYS 54 HB2 LYS 54 8.069 2.800 5.536 424 HB3 LYS 54 HB3 LYS 54 9.664 2.095 5.889 425 HG2 LYS 54 HG2 LYS 54 10.779 4.009 4.823 426 HG3 LYS 54 HG3 LYS 54 9.237 4.787 4.504 427 HD2 LYS 54 HD2 LYS 54 10.143 3.944 7.286 428 HD3 LYS 54 HD3 LYS 54 10.492 5.555 6.606 429 HE2 LYS 54 HE2 LYS 54 8.209 6.175 6.515 430 HE3 LYS 54 HE3 LYS 54 7.646 4.522 6.621 431 HZ1 LYS 54 HZ1 LYS 54 7.324 5.717 8.666 432 HZ2 LYS 54 HZ2 LYS 54 8.950 5.873 8.891 433 HZ3 LYS 54 HZ3 LYS 54 8.288 4.388 8.886 434 HA PRO 55 HA PRO 55 9.065 -2.066 3.455 435 HB2 PRO 55 HB2 PRO 55 11.356 -3.196 4.372 436 HB3 PRO 55 HB3 PRO 55 11.294 -2.346 2.800 437 HG2 PRO 55 HG2 PRO 55 12.218 -1.230 5.466 438 HG3 PRO 55 HG3 PRO 55 13.075 -1.169 3.893 439 HD2 PRO 55 HD2 PRO 55 11.544 0.900 4.778 440 HD3 PRO 55 HD3 PRO 55 11.624 0.460 3.044 441 H ARG 56 HN ARG 56 8.990 -3.955 5.007 442 HA ARG 56 HA ARG 56 9.207 -3.387 7.857 443 HB2 ARG 56 HB2 ARG 56 6.597 -4.060 6.486 444 HB3 ARG 56 HB3 ARG 56 6.938 -4.713 8.072 445 HG2 ARG 56 HG2 ARG 56 7.679 -2.237 8.678 446 HG3 ARG 56 HG3 ARG 56 6.624 -1.814 7.303 447 HD2 ARG 56 HD2 ARG 56 4.775 -2.949 8.366 448 HD3 ARG 56 HD3 ARG 56 5.799 -3.608 9.628 449 HE ARG 56 HE ARG 56 5.914 -1.637 10.747 450 HH11 ARG 56 HH11 ARG 56 4.157 -1.055 7.722 451 HH12 ARG 56 HH12 ARG 56 3.445 0.432 8.290 452 HH21 ARG 56 HH21 ARG 56 4.907 0.295 11.476 453 HH22 ARG 56 HH22 ARG 56 3.977 1.263 10.388 454 H VAL 57 HN VAL 57 8.429 -5.810 8.810 455 HA VAL 57 HA VAL 57 9.217 -7.951 7.006 456 HB VAL 57 HB VAL 57 10.360 -7.552 9.798 457 HG11 VAL 57 HG11 VAL 57 11.472 -9.746 9.532 458 HG12 VAL 57 HG12 VAL 57 9.712 -9.883 9.529 459 HG13 VAL 57 HG13 VAL 57 10.603 -9.988 8.006 460 HG21 VAL 57 HG21 VAL 57 11.731 -6.350 8.216 461 HG22 VAL 57 HG22 VAL 57 12.600 -7.806 8.700 462 HG23 VAL 57 HG23 VAL 57 11.781 -7.741 7.123 463 H ILE 58 HN ILE 58 7.669 -9.456 7.144 464 HA ILE 58 HA ILE 58 6.035 -9.662 9.610 465 HB ILE 58 HB ILE 58 4.936 -9.728 6.753 466 HG12 ILE 58 HG12 ILE 58 5.353 -7.399 7.761 467 HG13 ILE 58 HG13 ILE 58 3.734 -7.742 7.219 468 HG21 ILE 58 HG21 ILE 58 3.770 -11.398 7.885 469 HG22 ILE 58 HG22 ILE 58 3.799 -10.526 9.438 470 HG23 ILE 58 HG23 ILE 58 2.745 -9.995 8.137 471 HD11 ILE 58 HD11 ILE 58 4.401 -8.263 10.112 472 HD12 ILE 58 HD12 ILE 58 4.114 -6.610 9.552 473 HD13 ILE 58 HD13 ILE 58 2.850 -7.848 9.354 474 H GLU 59 HN GLU 59 6.603 -11.659 10.354 475 HA GLU 59 HA GLU 59 7.170 -13.885 10.373 476 HB2 GLU 59 HB2 GLU 59 5.463 -14.042 7.873 477 HB3 GLU 59 HB3 GLU 59 5.845 -15.351 8.997 478 HG2 GLU 59 HG2 GLU 59 4.662 -14.079 10.796 479 HG3 GLU 59 HG3 GLU 59 4.150 -12.891 9.598 480 H GLY 60 HN GLY 60 9.044 -12.138 8.966 481 HA2 GLY 60 HA2 GLY 60 11.119 -12.508 7.972 482 HA3 GLY 60 HA1 GLY 60 10.645 -14.155 7.568 483 H VAL 61 HN VAL 61 8.097 -12.425 6.353 484 HA VAL 61 HA VAL 61 9.098 -12.153 3.643 485 HB VAL 61 HB VAL 61 6.551 -10.973 4.805 486 HG11 VAL 61 HG11 VAL 61 7.262 -11.847 1.973 487 HG12 VAL 61 HG12 VAL 61 5.666 -11.268 2.516 488 HG13 VAL 61 HG13 VAL 61 7.010 -10.168 2.532 489 HG21 VAL 61 HG21 VAL 61 6.903 -13.769 3.660 490 HG22 VAL 61 HG22 VAL 61 6.479 -13.365 5.335 491 HG23 VAL 61 HG23 VAL 61 5.342 -12.995 4.047 492 H ARG 62 HN ARG 62 8.944 -10.015 2.639 493 HA ARG 62 HA ARG 62 10.277 -7.897 4.215 494 HB2 ARG 62 HB2 ARG 62 9.491 -7.981 1.269 495 HB3 ARG 62 HB3 ARG 62 10.502 -6.806 2.021 496 HG2 ARG 62 HG2 ARG 62 12.164 -8.094 1.186 497 HG3 ARG 62 HG3 ARG 62 11.942 -8.983 2.700 498 HD2 ARG 62 HD2 ARG 62 10.076 -10.173 0.956 499 HD3 ARG 62 HD3 ARG 62 11.399 -9.741 -0.125 500 HE ARG 62 HE ARG 62 12.573 -11.009 2.049 501 HH11 ARG 62 HH11 ARG 62 10.354 -11.916 -0.723 502 HH12 ARG 62 HH12 ARG 62 10.701 -13.582 -0.462 503 HH21 ARG 62 HH21 ARG 62 12.894 -13.340 2.176 504 HH22 ARG 62 HH22 ARG 62 12.400 -14.293 0.825 505 H CYS 63 HN CYS 63 7.677 -7.349 1.860 506 HA CYS 63 HA CYS 63 5.604 -6.554 1.945 507 HB2 CYS 63 HB2 CYS 63 5.611 -6.431 4.988 508 HB3 CYS 63 HB3 CYS 63 4.248 -6.244 3.893 509 HG CYS 63 HG CYS 63 4.005 -8.581 4.998 510 H LEU 64 HN LEU 64 5.042 -4.445 1.512 511 HA LEU 64 HA LEU 64 7.017 -2.392 2.397 512 HB2 LEU 64 HB2 LEU 64 6.957 -3.455 -0.066 513 HB3 LEU 64 HB3 LEU 64 5.692 -2.257 -0.290 514 HG LEU 64 HG LEU 64 8.582 -1.786 0.543 515 HD11 LEU 64 HD11 LEU 64 8.040 -2.227 -1.886 516 HD12 LEU 64 HD12 LEU 64 8.775 -0.648 -1.573 517 HD13 LEU 64 HD13 LEU 64 7.020 -0.777 -1.866 518 HD21 LEU 64 HD21 LEU 64 6.330 0.221 0.312 519 HD22 LEU 64 HD22 LEU 64 8.078 0.654 0.294 520 HD23 LEU 64 HD23 LEU 64 7.356 -0.094 1.708 521 H ALA 65 HN ALA 65 6.089 -0.737 3.465 522 HA ALA 65 HA ALA 65 3.184 -0.497 3.555 523 HB1 ALA 65 HB1 ALA 65 5.395 1.098 4.925 524 HB2 ALA 65 HB2 ALA 65 3.662 1.153 5.285 525 HB3 ALA 65 HB3 ALA 65 4.572 -0.340 5.597 526 H VAL 66 HN VAL 66 2.019 1.043 2.443 527 HA VAL 66 HA VAL 66 3.411 3.130 0.829 528 HB VAL 66 HB VAL 66 0.777 1.832 0.292 529 HG11 VAL 66 HG11 VAL 66 2.598 3.517 -1.427 530 HG12 VAL 66 HG12 VAL 66 0.957 2.958 -1.835 531 HG13 VAL 66 HG13 VAL 66 1.193 4.169 -0.564 532 HG21 VAL 66 HG21 VAL 66 1.960 0.710 -1.557 533 HG22 VAL 66 HG22 VAL 66 3.519 1.290 -0.906 534 HG23 VAL 66 HG23 VAL 66 2.521 0.119 0.006 535 H ASP 67 HN ASP 67 3.087 4.976 2.123 536 HA ASP 67 HA ASP 67 1.056 5.213 4.214 537 HB2 ASP 67 HB2 ASP 67 3.342 6.325 4.278 538 HB3 ASP 67 HB3 ASP 67 2.798 7.355 2.962 539 H LEU 68 HN LEU 68 -0.997 5.936 3.975 540 HA LEU 68 HA LEU 68 -2.186 6.590 1.421 541 HB2 LEU 68 HB2 LEU 68 -3.071 6.325 4.235 542 HB3 LEU 68 HB3 LEU 68 -3.879 7.598 3.397 543 HG LEU 68 HG LEU 68 -3.723 4.789 2.281 544 HD11 LEU 68 HD11 LEU 68 -6.033 4.527 3.208 545 HD12 LEU 68 HD12 LEU 68 -5.855 6.076 4.066 546 HD13 LEU 68 HD13 LEU 68 -4.806 4.693 4.471 547 HD21 LEU 68 HD21 LEU 68 -4.305 6.560 0.626 548 HD22 LEU 68 HD22 LEU 68 -5.541 7.208 1.725 549 HD23 LEU 68 HD23 LEU 68 -5.743 5.610 0.999 550 H LYS 69 HN LYS 69 -0.439 8.491 3.773 551 HA LYS 69 HA LYS 69 -1.511 11.051 3.241 552 HB2 LYS 69 HB2 LYS 69 0.220 10.281 4.978 553 HB3 LYS 69 HB3 LYS 69 1.432 10.461 3.714 554 HG2 LYS 69 HG2 LYS 69 -0.474 12.661 4.617 555 HG3 LYS 69 HG3 LYS 69 1.056 12.339 5.400 556 HD2 LYS 69 HD2 LYS 69 2.170 13.630 4.001 557 HD3 LYS 69 HD3 LYS 69 1.644 12.665 2.627 558 HE2 LYS 69 HE2 LYS 69 1.113 15.009 2.288 559 HE3 LYS 69 HE3 LYS 69 -0.340 14.026 2.332 560 HZ1 LYS 69 HZ1 LYS 69 -0.882 15.772 3.603 561 HZ2 LYS 69 HZ2 LYS 69 0.607 15.948 4.304 562 HZ3 LYS 69 HZ3 LYS 69 -0.375 14.745 4.817 563 H LEU 70 HN LEU 70 0.647 8.979 1.218 564 HA LEU 70 HA LEU 70 1.537 11.118 -0.432 565 HB2 LEU 70 HB2 LEU 70 2.666 9.069 -0.604 566 HB3 LEU 70 HB3 LEU 70 1.215 8.197 -1.004 567 HG LEU 70 HG LEU 70 1.083 9.678 -3.186 568 HD11 LEU 70 HD11 LEU 70 2.547 11.519 -2.500 569 HD12 LEU 70 HD12 LEU 70 3.374 10.649 -3.807 570 HD13 LEU 70 HD13 LEU 70 3.881 10.403 -2.141 571 HD21 LEU 70 HD21 LEU 70 3.536 7.943 -2.833 572 HD22 LEU 70 HD22 LEU 70 2.754 8.418 -4.358 573 HD23 LEU 70 HD23 LEU 70 1.870 7.413 -3.198 574 H LYS 71 HN LYS 71 -1.657 9.391 -0.318 575 HA LYS 71 HA LYS 71 -2.367 10.176 -3.011 576 HB2 LYS 71 HB2 LYS 71 -3.413 8.290 -1.703 577 HB3 LYS 71 HB3 LYS 71 -4.232 9.462 -0.717 578 HG2 LYS 71 HG2 LYS 71 -5.906 9.646 -2.173 579 HG3 LYS 71 HG3 LYS 71 -4.829 10.101 -3.485 580 HD2 LYS 71 HD2 LYS 71 -4.533 7.826 -4.196 581 HD3 LYS 71 HD3 LYS 71 -5.158 7.213 -2.669 582 HE2 LYS 71 HE2 LYS 71 -6.814 6.816 -4.339 583 HE3 LYS 71 HE3 LYS 71 -7.418 7.995 -3.172 584 HZ1 LYS 71 HZ1 LYS 71 -6.425 8.671 -5.885 585 HZ2 LYS 71 HZ2 LYS 71 -7.080 9.721 -4.770 586 HZ3 LYS 71 HZ3 LYS 71 -7.995 8.545 -5.409 587 H ASP 72 HN ASP 72 -2.474 11.873 0.078 588 HA ASP 72 HA ASP 72 -4.308 13.988 -0.630 589 HB2 ASP 72 HB2 ASP 72 -3.715 13.658 1.665 590 HB3 ASP 72 HB3 ASP 72 -2.020 13.702 1.316 591 H THR 73 HN THR 73 -0.795 13.639 -0.834 592 HA THR 73 HA THR 73 -0.543 16.257 -2.095 593 HB THR 73 HB THR 73 0.752 15.583 -0.144 594 HG1 THR 73 HG1 THR 73 2.865 16.087 -1.109 595 HG21 THR 73 HG21 THR 73 2.157 13.594 -1.940 596 HG22 THR 73 HG22 THR 73 1.062 13.211 -0.598 597 HG23 THR 73 HG23 THR 73 2.579 14.003 -0.259 598 H ASN 74 HN ASN 74 -0.306 12.926 -3.179 599 HA ASN 74 HA ASN 74 -0.157 13.751 -5.985 600 HB2 ASN 74 HB2 ASN 74 2.186 13.366 -5.557 601 HB3 ASN 74 HB3 ASN 74 1.793 11.835 -4.762 602 HD21 ASN 74 HD21 ASN 74 3.526 11.130 -6.544 603 HD22 ASN 74 HD22 ASN 74 2.807 10.606 -8.028 604 HA PRO 75 HA PRO 75 -3.263 10.502 -4.980 605 HB2 PRO 75 HB2 PRO 75 -5.364 11.581 -6.539 606 HB3 PRO 75 HB3 PRO 75 -4.945 12.132 -4.885 607 HG2 PRO 75 HG2 PRO 75 -4.032 13.335 -7.513 608 HG3 PRO 75 HG3 PRO 75 -4.804 14.183 -6.120 609 HD2 PRO 75 HD2 PRO 75 -2.128 14.135 -6.408 610 HD3 PRO 75 HD3 PRO 75 -2.847 13.942 -4.790 611 H GLU 76 HN GLU 76 -1.714 11.409 -7.763 612 HA GLU 76 HA GLU 76 -2.755 9.202 -9.470 613 HB2 GLU 76 HB2 GLU 76 -1.742 11.445 -10.267 614 HB3 GLU 76 HB3 GLU 76 -0.167 10.786 -9.893 615 HG2 GLU 76 HG2 GLU 76 -0.319 9.132 -11.534 616 HG3 GLU 76 HG3 GLU 76 -2.057 9.162 -11.537 617 H GLY 77 HN GLY 77 0.116 9.865 -7.503 618 HA2 GLY 77 HA2 GLY 77 1.609 7.593 -8.191 619 HA3 GLY 77 HA1 GLY 77 1.859 8.541 -6.734 620 H PHE 78 HN PHE 78 -0.154 7.996 -5.109 621 HA PHE 78 HA PHE 78 0.099 5.417 -3.924 622 HB2 PHE 78 HB2 PHE 78 -1.146 7.740 -3.075 623 HB3 PHE 78 HB3 PHE 78 -2.468 6.992 -3.867 624 HD1 PHE 78 HD1 PHE 78 -0.221 6.158 -1.041 625 HD2 PHE 78 HD2 PHE 78 -3.840 5.446 -3.224 626 HE1 PHE 78 HE1 PHE 78 -0.934 4.466 0.676 627 HE2 PHE 78 HE2 PHE 78 -4.575 3.786 -1.519 628 HZ PHE 78 HZ PHE 78 -3.111 3.270 0.410 629 H ASN 79 HN ASN 79 -2.236 6.726 -6.292 630 HA ASN 79 HA ASN 79 -3.994 4.492 -6.476 631 HB2 ASN 79 HB2 ASN 79 -4.721 6.497 -7.440 632 HB3 ASN 79 HB3 ASN 79 -3.242 6.838 -8.232 633 HD21 ASN 79 HD21 ASN 79 -2.863 6.090 -10.366 634 HD22 ASN 79 HD22 ASN 79 -4.080 5.126 -11.194 635 H GLN 80 HN GLN 80 -1.229 5.331 -8.639 636 HA GLN 80 HA GLN 80 -1.310 2.830 -10.033 637 HB2 GLN 80 HB2 GLN 80 0.829 4.976 -9.646 638 HB3 GLN 80 HB3 GLN 80 1.208 3.434 -10.392 639 HG2 GLN 80 HG2 GLN 80 -0.996 4.013 -11.863 640 HG3 GLN 80 HG3 GLN 80 -0.475 5.659 -11.453 641 HE21 GLN 80 HE21 GLN 80 0.654 6.415 -13.364 642 HE22 GLN 80 HE22 GLN 80 1.908 5.447 -14.109 643 H LEU 81 HN LEU 81 0.304 3.688 -6.912 644 HA LEU 81 HA LEU 81 1.882 1.367 -6.749 645 HB2 LEU 81 HB2 LEU 81 1.505 3.628 -5.194 646 HB3 LEU 81 HB3 LEU 81 0.648 2.426 -4.243 647 HG LEU 81 HG LEU 81 2.990 2.369 -3.494 648 HD11 LEU 81 HD11 LEU 81 2.680 -0.044 -5.106 649 HD12 LEU 81 HD12 LEU 81 1.689 0.363 -3.703 650 HD13 LEU 81 HD13 LEU 81 3.439 0.227 -3.493 651 HD21 LEU 81 HD21 LEU 81 4.838 2.535 -4.502 652 HD22 LEU 81 HD22 LEU 81 3.791 3.736 -5.135 653 HD23 LEU 81 HD23 LEU 81 4.103 2.322 -6.149 654 H MET 82 HN MET 82 -1.479 2.059 -5.653 655 HA MET 82 HA MET 82 -1.994 -0.478 -4.532 656 HB2 MET 82 HB2 MET 82 -3.994 1.379 -5.925 657 HB3 MET 82 HB3 MET 82 -4.394 0.004 -4.927 658 HG2 MET 82 HG2 MET 82 -3.070 2.576 -4.052 659 HG3 MET 82 HG3 MET 82 -4.671 2.002 -3.633 660 HE1 MET 82 HE1 MET 82 -5.188 0.142 -1.916 661 HE2 MET 82 HE2 MET 82 -4.203 -1.055 -2.798 662 HE3 MET 82 HE3 MET 82 -3.967 -0.828 -1.050 663 H HIS 83 HN HIS 83 -2.512 0.706 -7.914 664 HA HIS 83 HA HIS 83 -3.703 -1.660 -8.826 665 HB2 HIS 83 HB2 HIS 83 -3.575 0.583 -10.000 666 HB3 HIS 83 HB3 HIS 83 -1.952 0.172 -10.509 667 HD1 HIS 83 HD1 HIS 83 -2.944 0.281 -13.089 668 HD2 HIS 83 HD2 HIS 83 -4.422 -2.750 -10.569 669 HE1 HIS 83 HE1 HIS 83 -4.130 -1.390 -14.586 670 H PHE 84 HN PHE 84 -0.238 -0.750 -8.837 671 HA PHE 84 HA PHE 84 0.861 -2.872 -10.254 672 HB2 PHE 84 HB2 PHE 84 2.265 -1.133 -9.715 673 HB3 PHE 84 HB3 PHE 84 1.859 -1.148 -8.011 674 HD1 PHE 84 HD1 PHE 84 3.853 -2.942 -10.628 675 HD2 PHE 84 HD2 PHE 84 3.002 -2.491 -6.434 676 HE1 PHE 84 HE1 PHE 84 5.890 -4.258 -10.056 677 HE2 PHE 84 HE2 PHE 84 5.027 -3.816 -5.870 678 HZ PHE 84 HZ PHE 84 6.468 -4.697 -7.692 679 H ALA 85 HN ALA 85 -0.239 -2.901 -6.884 680 HA ALA 85 HA ALA 85 0.831 -5.419 -6.114 681 HB1 ALA 85 HB1 ALA 85 -1.779 -4.097 -5.261 682 HB2 ALA 85 HB2 ALA 85 -0.923 -5.394 -4.428 683 HB3 ALA 85 HB3 ALA 85 -0.189 -3.775 -4.563 684 H THR 86 HN THR 86 -2.504 -4.641 -7.310 685 HA THR 86 HA THR 86 -3.249 -7.357 -7.545 686 HB THR 86 HB THR 86 -4.456 -5.122 -9.182 687 HG1 THR 86 HG1 THR 86 -5.270 -4.184 -7.568 688 HG21 THR 86 HG21 THR 86 -6.573 -6.267 -8.446 689 HG22 THR 86 HG22 THR 86 -5.605 -7.482 -7.594 690 HG23 THR 86 HG23 THR 86 -5.508 -7.340 -9.368 691 H GLU 87 HN GLU 87 -1.692 -5.093 -9.897 692 HA GLU 87 HA GLU 87 -1.890 -6.580 -12.260 693 HB2 GLU 87 HB2 GLU 87 0.206 -4.717 -11.127 694 HB3 GLU 87 HB3 GLU 87 0.264 -5.292 -12.767 695 HG2 GLU 87 HG2 GLU 87 -2.193 -3.858 -11.806 696 HG3 GLU 87 HG3 GLU 87 -0.750 -2.937 -12.211 697 H ASN 88 HN ASN 88 -0.133 -7.358 -9.388 698 HA ASN 88 HA ASN 88 1.227 -9.585 -10.797 699 HB2 ASN 88 HB2 ASN 88 2.306 -7.829 -8.535 700 HB3 ASN 88 HB3 ASN 88 3.065 -9.343 -9.062 701 HD21 ASN 88 HD21 ASN 88 2.658 -5.958 -9.767 702 HD22 ASN 88 HD22 ASN 88 3.550 -5.958 -11.283 703 H GLN 89 HN GLN 89 -1.338 -9.116 -9.135 704 HA GLN 89 HA GLN 89 -2.582 -10.207 -7.599 705 HB2 GLN 89 HB2 GLN 89 -0.891 -12.580 -8.485 706 HB3 GLN 89 HB3 GLN 89 -2.456 -12.627 -7.673 707 HG2 GLN 89 HG2 GLN 89 -3.141 -12.926 -9.844 708 HG3 GLN 89 HG3 GLN 89 -3.311 -11.177 -9.668 709 HE21 GLN 89 HE21 GLN 89 -2.633 -10.095 -11.493 710 HE22 GLN 89 HE22 GLN 89 -1.416 -10.644 -12.589 711 H LEU 90 HN LEU 90 -0.293 -8.869 -6.502 712 HA LEU 90 HA LEU 90 0.838 -10.438 -4.316 713 HB2 LEU 90 HB2 LEU 90 0.604 -7.422 -4.753 714 HB3 LEU 90 HB3 LEU 90 1.454 -8.183 -3.404 715 HG LEU 90 HG LEU 90 2.203 -8.479 -6.334 716 HD11 LEU 90 HD11 LEU 90 4.170 -7.135 -5.765 717 HD12 LEU 90 HD12 LEU 90 3.620 -6.998 -4.078 718 HD13 LEU 90 HD13 LEU 90 2.707 -6.225 -5.389 719 HD21 LEU 90 HD21 LEU 90 4.299 -9.461 -5.343 720 HD22 LEU 90 HD22 LEU 90 2.866 -10.492 -5.208 721 HD23 LEU 90 HD23 LEU 90 3.452 -9.589 -3.790 722 H ASN 91 HN ASN 91 0.038 -10.627 -2.249 723 HA ASN 91 HA ASN 91 -2.798 -10.260 -1.851 724 HB2 ASN 91 HB2 ASN 91 -1.037 -11.999 -0.776 725 HB3 ASN 91 HB3 ASN 91 -0.894 -10.749 0.449 726 HD21 ASN 91 HD21 ASN 91 -1.791 -12.552 1.855 727 HD22 ASN 91 HD22 ASN 91 -3.506 -12.767 1.915 728 H ILE 92 HN ILE 92 -3.717 -8.198 -1.434 729 HA ILE 92 HA ILE 92 -1.907 -6.089 -0.427 730 HB ILE 92 HB ILE 92 -4.856 -5.918 -1.155 731 HG12 ILE 92 HG12 ILE 92 -2.388 -4.945 -2.654 732 HG13 ILE 92 HG13 ILE 92 -3.400 -6.328 -3.122 733 HG21 ILE 92 HG21 ILE 92 -4.136 -4.259 0.600 734 HG22 ILE 92 HG22 ILE 92 -2.836 -3.707 -0.466 735 HG23 ILE 92 HG23 ILE 92 -4.547 -3.468 -0.906 736 HD11 ILE 92 HD11 ILE 92 -5.350 -4.684 -3.285 737 HD12 ILE 92 HD12 ILE 92 -4.135 -3.388 -3.156 738 HD13 ILE 92 HD13 ILE 92 -4.067 -4.527 -4.504 739 H LEU 93 HN LEU 93 -1.544 -5.985 1.661 740 HA LEU 93 HA LEU 93 -3.707 -6.753 3.521 741 HB2 LEU 93 HB2 LEU 93 -0.739 -7.065 3.639 742 HB3 LEU 93 HB3 LEU 93 -1.556 -6.602 5.108 743 HG LEU 93 HG LEU 93 -2.950 -8.543 5.083 744 HD11 LEU 93 HD11 LEU 93 -1.606 -9.487 2.546 745 HD12 LEU 93 HD12 LEU 93 -3.290 -8.969 2.701 746 HD13 LEU 93 HD13 LEU 93 -2.754 -10.394 3.573 747 HD21 LEU 93 HD21 LEU 93 -1.250 -10.257 5.472 748 HD22 LEU 93 HD22 LEU 93 -0.640 -8.678 6.014 749 HD23 LEU 93 HD23 LEU 93 -0.098 -9.339 4.470 750 H ASP 94 HN ASP 94 -4.016 -5.422 5.211 751 HA ASP 94 HA ASP 94 -3.507 -2.559 4.701 752 HB2 ASP 94 HB2 ASP 94 -5.722 -3.774 5.443 753 HB3 ASP 94 HB3 ASP 94 -5.085 -3.611 7.050 754 H ALA 95 HN ALA 95 -3.481 -1.476 6.948 755 HA ALA 95 HA ALA 95 -0.847 -1.634 8.082 756 HB1 ALA 95 HB1 ALA 95 -1.731 -0.275 9.972 757 HB2 ALA 95 HB2 ALA 95 -2.136 0.398 8.388 758 HB3 ALA 95 HB3 ALA 95 -3.374 -0.483 9.329 759 H GLU 96 HN GLU 96 -3.844 -3.250 9.061 760 HA GLU 96 HA GLU 96 -2.718 -4.438 11.489 761 HB2 GLU 96 HB2 GLU 96 -5.311 -4.698 9.949 762 HB3 GLU 96 HB3 GLU 96 -4.965 -5.665 11.403 763 HG2 GLU 96 HG2 GLU 96 -4.513 -3.388 12.557 764 HG3 GLU 96 HG3 GLU 96 -5.399 -2.678 11.180 765 H GLY 97 HN GLY 97 -2.372 -5.213 8.187 766 HA2 GLY 97 HA2 GLY 97 -1.619 -7.164 7.214 767 HA3 GLY 97 HA1 GLY 97 -1.606 -7.961 8.781 768 H ASN 98 HN ASN 98 -4.560 -6.387 7.991 769 HA ASN 98 HA ASN 98 -6.052 -8.890 7.580 770 HB2 ASN 98 HB2 ASN 98 -7.020 -6.044 7.077 771 HB3 ASN 98 HB3 ASN 98 -8.009 -7.465 7.307 772 HD21 ASN 98 HD21 ASN 98 -7.864 -4.752 8.699 773 HD22 ASN 98 HD22 ASN 98 -7.736 -5.110 10.402 774 H SER 99 HN SER 99 -6.376 -9.740 5.507 775 HA SER 99 HA SER 99 -5.252 -8.405 3.213 776 HB2 SER 99 HB2 SER 99 -6.632 -10.486 2.206 777 HB3 SER 99 HB3 SER 99 -5.012 -10.606 2.884 778 HG SER 99 HG SER 99 -7.271 -11.777 3.694 779 H ILE 100 HN ILE 100 -6.238 -6.868 2.070 780 HA ILE 100 HA ILE 100 -9.192 -6.669 2.092 781 HB ILE 100 HB ILE 100 -8.958 -4.202 2.250 782 HG12 ILE 100 HG12 ILE 100 -6.167 -4.612 3.389 783 HG13 ILE 100 HG13 ILE 100 -6.391 -4.288 1.683 784 HG21 ILE 100 HG21 ILE 100 -9.642 -5.597 4.183 785 HG22 ILE 100 HG22 ILE 100 -7.948 -5.700 4.708 786 HG23 ILE 100 HG23 ILE 100 -8.783 -4.141 4.684 787 HD11 ILE 100 HD11 ILE 100 -7.576 -2.204 2.133 788 HD12 ILE 100 HD12 ILE 100 -7.424 -2.470 3.880 789 HD13 ILE 100 HD13 ILE 100 -5.968 -2.208 2.897 790 H ASP 101 HN ASP 101 -9.881 -4.988 0.413 791 HA ASP 101 HA ASP 101 -8.467 -5.496 -2.147 792 HB2 ASP 101 HB2 ASP 101 -11.150 -4.394 -1.339 793 HB3 ASP 101 HB3 ASP 101 -10.485 -3.922 -2.857 794 H ALA 102 HN ALA 102 -7.999 -3.723 -3.371 795 HA ALA 102 HA ALA 102 -6.789 -1.368 -2.116 796 HB1 ALA 102 HB1 ALA 102 -5.887 -2.202 -4.257 797 HB2 ALA 102 HB2 ALA 102 -7.466 -1.996 -5.040 798 HB3 ALA 102 HB3 ALA 102 -6.556 -0.578 -4.499 799 H ALA 103 HN ALA 103 -9.840 -2.226 -3.472 800 HA ALA 103 HA ALA 103 -11.042 0.264 -4.012 801 HB1 ALA 103 HB1 ALA 103 -11.851 -1.958 -4.808 802 HB2 ALA 103 HB2 ALA 103 -12.209 -2.408 -3.115 803 HB3 ALA 103 HB3 ALA 103 -13.108 -1.096 -3.888 804 H GLN 104 HN GLN 104 -10.293 -1.180 -0.934 805 HA GLN 104 HA GLN 104 -12.367 0.400 0.451 806 HB2 GLN 104 HB2 GLN 104 -10.379 -1.737 1.306 807 HB3 GLN 104 HB3 GLN 104 -11.472 -0.868 2.427 808 HG2 GLN 104 HG2 GLN 104 -13.282 -1.656 0.562 809 HG3 GLN 104 HG3 GLN 104 -12.081 -2.914 0.303 810 HE21 GLN 104 HE21 GLN 104 -11.234 -3.799 2.635 811 HE22 GLN 104 HE22 GLN 104 -12.545 -4.249 3.705 812 H VAL 105 HN VAL 105 -9.336 1.019 -0.775 813 HA VAL 105 HA VAL 105 -8.386 2.574 1.565 814 HB VAL 105 HB VAL 105 -6.864 1.666 -0.905 815 HG11 VAL 105 HG11 VAL 105 -4.893 1.912 0.491 816 HG12 VAL 105 HG12 VAL 105 -5.783 3.436 0.448 817 HG13 VAL 105 HG13 VAL 105 -5.891 2.401 1.882 818 HG21 VAL 105 HG21 VAL 105 -7.750 -0.370 0.244 819 HG22 VAL 105 HG22 VAL 105 -6.010 -0.216 0.339 820 HG23 VAL 105 HG23 VAL 105 -7.003 0.199 1.758 821 H THR 106 HN THR 106 -9.006 2.883 -1.990 822 HA THR 106 HA THR 106 -7.838 5.533 -2.012 823 HB THR 106 HB THR 106 -8.518 5.523 -4.380 824 HG1 THR 106 HG1 THR 106 -9.849 4.213 -5.098 825 HG21 THR 106 HG21 THR 106 -7.114 2.951 -3.543 826 HG22 THR 106 HG22 THR 106 -6.354 4.554 -3.624 827 HG23 THR 106 HG23 THR 106 -6.973 3.787 -5.101 828 H GLU 107 HN GLU 107 -10.600 4.608 -0.667 829 HA GLU 107 HA GLU 107 -12.386 6.706 -1.776 830 HB2 GLU 107 HB2 GLU 107 -12.748 3.805 -0.892 831 HB3 GLU 107 HB3 GLU 107 -14.118 4.883 -1.177 832 HG2 GLU 107 HG2 GLU 107 -12.017 4.325 -3.320 833 HG3 GLU 107 HG3 GLU 107 -13.465 3.352 -3.109 834 H ILE 108 HN ILE 108 -10.629 6.294 0.861 835 HA ILE 108 HA ILE 108 -12.336 6.319 3.090 836 HB ILE 108 HB ILE 108 -9.708 7.787 2.754 837 HG12 ILE 108 HG12 ILE 108 -9.324 5.467 2.378 838 HG13 ILE 108 HG13 ILE 108 -8.846 5.798 4.025 839 HG21 ILE 108 HG21 ILE 108 -9.584 7.598 5.258 840 HG22 ILE 108 HG22 ILE 108 -10.833 8.716 4.690 841 HG23 ILE 108 HG23 ILE 108 -11.274 7.088 5.254 842 HD11 ILE 108 HD11 ILE 108 -9.919 3.641 3.894 843 HD12 ILE 108 HD12 ILE 108 -10.970 4.716 4.845 844 HD13 ILE 108 HD13 ILE 108 -11.351 4.320 3.145 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -19.091 -12.004 9.396 2 HA2 GLY 1 HA2 GLY 1 -21.830 -11.901 8.273 3 HA3 GLY 1 HA1 GLY 1 -21.136 -10.813 9.486 4 H MET 2 HN MET 2 -22.049 -9.185 7.848 5 HA MET 2 HA MET 2 -20.207 -8.650 5.580 6 HB2 MET 2 HB2 MET 2 -23.146 -7.969 6.025 7 HB3 MET 2 HB3 MET 2 -22.188 -7.391 4.656 8 HG2 MET 2 HG2 MET 2 -22.683 -10.317 5.321 9 HG3 MET 2 HG3 MET 2 -23.539 -9.394 4.090 10 HE1 MET 2 HE1 MET 2 -20.667 -12.115 2.742 11 HE2 MET 2 HE2 MET 2 -20.797 -11.972 4.510 12 HE3 MET 2 HE3 MET 2 -22.268 -12.119 3.513 13 H GLY 3 HN GLY 3 -19.946 -7.829 8.559 14 HA2 GLY 3 HA2 GLY 3 -20.174 -4.878 8.378 15 HA3 GLY 3 HA1 GLY 3 -19.872 -5.835 9.840 16 H THR 4 HN THR 4 -18.483 -3.932 7.625 17 HA THR 4 HA THR 4 -15.796 -4.509 8.692 18 HB THR 4 HB THR 4 -15.907 -5.836 6.663 19 HG1 THR 4 HG1 THR 4 -13.926 -5.302 6.479 20 HG21 THR 4 HG21 THR 4 -16.367 -3.292 5.059 21 HG22 THR 4 HG22 THR 4 -17.630 -4.509 5.396 22 HG23 THR 4 HG23 THR 4 -16.198 -4.956 4.460 23 H THR 5 HN THR 5 -18.228 -2.260 8.085 24 HA THR 5 HA THR 5 -16.786 -0.084 7.042 25 HB THR 5 HB THR 5 -19.187 -0.617 6.818 26 HG1 THR 5 HG1 THR 5 -18.488 1.475 6.457 27 HG21 THR 5 HG21 THR 5 -19.424 0.278 9.726 28 HG22 THR 5 HG22 THR 5 -19.746 -1.347 9.095 29 HG23 THR 5 HG23 THR 5 -20.784 -0.005 8.611 30 H GLU 6 HN GLU 6 -16.035 -1.268 9.858 31 HA GLU 6 HA GLU 6 -16.088 0.971 11.727 32 HB2 GLU 6 HB2 GLU 6 -14.414 -1.543 11.745 33 HB3 GLU 6 HB3 GLU 6 -14.811 -0.500 13.113 34 HG2 GLU 6 HG2 GLU 6 -17.296 -1.367 12.070 35 HG3 GLU 6 HG3 GLU 6 -16.275 -2.788 11.944 36 H LYS 7 HN LYS 7 -15.052 2.793 10.925 37 HA LYS 7 HA LYS 7 -12.643 2.447 9.263 38 HB2 LYS 7 HB2 LYS 7 -14.086 4.966 10.161 39 HB3 LYS 7 HB3 LYS 7 -12.698 4.884 9.068 40 HG2 LYS 7 HG2 LYS 7 -14.218 3.383 7.564 41 HG3 LYS 7 HG3 LYS 7 -15.542 3.888 8.626 42 HD2 LYS 7 HD2 LYS 7 -14.862 6.298 8.094 43 HD3 LYS 7 HD3 LYS 7 -13.821 5.639 6.820 44 HE2 LYS 7 HE2 LYS 7 -15.662 4.781 5.596 45 HE3 LYS 7 HE3 LYS 7 -16.765 4.911 6.982 46 HZ1 LYS 7 HZ1 LYS 7 -15.570 7.305 5.703 47 HZ2 LYS 7 HZ2 LYS 7 -16.848 7.246 6.753 48 HZ3 LYS 7 HZ3 LYS 7 -17.001 6.685 5.228 49 H SER 8 HN SER 8 -11.056 1.660 10.578 50 HA SER 8 HA SER 8 -10.532 2.661 13.154 51 HB2 SER 8 HB2 SER 8 -8.205 1.351 12.314 52 HB3 SER 8 HB3 SER 8 -9.586 0.662 13.143 53 HG SER 8 HG SER 8 -9.111 -0.507 11.241 54 H GLY 9 HN GLY 9 -10.394 4.714 10.809 55 HA2 GLY 9 HA2 GLY 9 -9.357 6.707 10.553 56 HA3 GLY 9 HA1 GLY 9 -8.527 6.400 12.085 57 H ILE 10 HN ILE 10 -8.062 4.140 9.524 58 HA ILE 10 HA ILE 10 -5.249 4.240 9.823 59 HB ILE 10 HB ILE 10 -6.854 3.023 7.576 60 HG12 ILE 10 HG12 ILE 10 -6.150 1.765 10.240 61 HG13 ILE 10 HG13 ILE 10 -7.752 2.258 9.698 62 HG21 ILE 10 HG21 ILE 10 -4.349 1.716 8.586 63 HG22 ILE 10 HG22 ILE 10 -5.115 1.798 6.987 64 HG23 ILE 10 HG23 ILE 10 -4.145 3.128 7.558 65 HD11 ILE 10 HD11 ILE 10 -7.639 -0.084 9.306 66 HD12 ILE 10 HD12 ILE 10 -7.474 0.683 7.735 67 HD13 ILE 10 HD13 ILE 10 -6.033 0.032 8.540 68 H LYS 11 HN LYS 11 -3.661 5.117 8.672 69 HA LYS 11 HA LYS 11 -4.263 6.482 6.129 70 HB2 LYS 11 HB2 LYS 11 -2.736 7.870 8.350 71 HB3 LYS 11 HB3 LYS 11 -3.050 8.521 6.748 72 HG2 LYS 11 HG2 LYS 11 -5.322 7.818 8.632 73 HG3 LYS 11 HG3 LYS 11 -4.511 9.343 8.677 74 HD2 LYS 11 HD2 LYS 11 -5.116 9.792 6.328 75 HD3 LYS 11 HD3 LYS 11 -5.784 8.175 6.155 76 HE2 LYS 11 HE2 LYS 11 -7.586 9.781 6.460 77 HE3 LYS 11 HE3 LYS 11 -7.529 8.634 7.802 78 HZ1 LYS 11 HZ1 LYS 11 -6.532 10.300 9.167 79 HZ2 LYS 11 HZ2 LYS 11 -7.873 10.931 8.477 80 HZ3 LYS 11 HZ3 LYS 11 -6.392 11.356 7.898 81 H GLU 12 HN GLU 12 -2.767 3.938 6.694 82 HA GLU 12 HA GLU 12 -0.637 4.501 4.922 83 HB2 GLU 12 HB2 GLU 12 0.507 5.240 7.007 84 HB3 GLU 12 HB3 GLU 12 0.032 3.747 7.810 85 HG2 GLU 12 HG2 GLU 12 1.642 2.478 6.435 86 HG3 GLU 12 HG3 GLU 12 2.136 3.970 5.640 87 H ILE 13 HN ILE 13 -0.775 2.767 3.590 88 HA ILE 13 HA ILE 13 -1.711 0.143 4.599 89 HB ILE 13 HB ILE 13 -1.542 -0.492 2.111 90 HG12 ILE 13 HG12 ILE 13 -1.839 2.340 1.298 91 HG13 ILE 13 HG13 ILE 13 -0.210 1.850 1.791 92 HG21 ILE 13 HG21 ILE 13 -3.633 1.529 2.854 93 HG22 ILE 13 HG22 ILE 13 -3.687 0.309 1.556 94 HG23 ILE 13 HG23 ILE 13 -3.643 -0.230 3.209 95 HD11 ILE 13 HD11 ILE 13 -0.028 0.144 0.222 96 HD12 ILE 13 HD12 ILE 13 -1.749 0.219 -0.199 97 HD13 ILE 13 HD13 ILE 13 -0.657 1.555 -0.648 98 H ILE 14 HN ILE 14 -0.527 -1.797 3.402 99 HA ILE 14 HA ILE 14 2.327 -1.332 3.095 100 HB ILE 14 HB ILE 14 1.279 -3.501 4.943 101 HG12 ILE 14 HG12 ILE 14 2.628 -0.916 5.837 102 HG13 ILE 14 HG13 ILE 14 0.922 -1.323 6.074 103 HG21 ILE 14 HG21 ILE 14 3.368 -4.324 4.963 104 HG22 ILE 14 HG22 ILE 14 3.666 -3.362 3.518 105 HG23 ILE 14 HG23 ILE 14 4.146 -2.729 5.094 106 HD11 ILE 14 HD11 ILE 14 3.277 -2.707 7.285 107 HD12 ILE 14 HD12 ILE 14 2.007 -1.770 8.102 108 HD13 ILE 14 HD13 ILE 14 1.618 -3.344 7.388 109 H ILE 15 HN ILE 15 2.261 -1.854 0.944 110 HA ILE 15 HA ILE 15 0.681 -4.032 -0.188 111 HB ILE 15 HB ILE 15 3.245 -2.784 -1.215 112 HG12 ILE 15 HG12 ILE 15 1.645 -0.998 -1.009 113 HG13 ILE 15 HG13 ILE 15 1.801 -1.445 -2.700 114 HG21 ILE 15 HG21 ILE 15 1.849 -5.073 -2.139 115 HG22 ILE 15 HG22 ILE 15 1.436 -3.761 -3.249 116 HG23 ILE 15 HG23 ILE 15 3.100 -4.198 -2.988 117 HD11 ILE 15 HD11 ILE 15 -0.368 -2.718 -2.559 118 HD12 ILE 15 HD12 ILE 15 -0.531 -2.183 -0.878 119 HD13 ILE 15 HD13 ILE 15 -0.535 -0.999 -2.197 120 H GLN 16 HN GLN 16 1.043 -6.172 0.333 121 HA GLN 16 HA GLN 16 3.415 -6.843 1.754 122 HB2 GLN 16 HB2 GLN 16 0.952 -7.835 1.805 123 HB3 GLN 16 HB3 GLN 16 1.613 -8.984 0.642 124 HG2 GLN 16 HG2 GLN 16 3.371 -9.579 2.245 125 HG3 GLN 16 HG3 GLN 16 2.825 -8.309 3.369 126 HE21 GLN 16 HE21 GLN 16 2.792 -10.226 4.953 127 HE22 GLN 16 HE22 GLN 16 1.306 -11.140 4.990 128 H GLY 17 HN GLY 17 5.030 -8.412 1.175 129 HA2 GLY 17 HA2 GLY 17 5.874 -8.293 -1.610 130 HA3 GLY 17 HA1 GLY 17 6.815 -8.992 -0.389 131 H LEU 18 HN LEU 18 3.748 -10.376 0.083 132 HA LEU 18 HA LEU 18 4.351 -12.732 -1.457 133 HB2 LEU 18 HB2 LEU 18 2.399 -11.881 0.697 134 HB3 LEU 18 HB3 LEU 18 2.428 -13.531 0.089 135 HG LEU 18 HG LEU 18 5.037 -12.811 1.167 136 HD11 LEU 18 HD11 LEU 18 3.801 -13.179 3.584 137 HD12 LEU 18 HD12 LEU 18 2.416 -12.561 2.734 138 HD13 LEU 18 HD13 LEU 18 3.833 -11.527 2.956 139 HD21 LEU 18 HD21 LEU 18 4.948 -14.652 2.256 140 HD22 LEU 18 HD22 LEU 18 4.893 -14.584 0.572 141 HD23 LEU 18 HD23 LEU 18 3.356 -14.975 1.535 142 H THR 19 HN THR 19 2.268 -13.687 -2.116 143 HA THR 19 HA THR 19 0.816 -11.909 -4.001 144 HB THR 19 HB THR 19 0.096 -14.076 -5.008 145 HG1 THR 19 HG1 THR 19 1.998 -15.526 -3.734 146 HG21 THR 19 HG21 THR 19 2.136 -14.570 -6.081 147 HG22 THR 19 HG22 THR 19 3.111 -14.062 -4.703 148 HG23 THR 19 HG23 THR 19 2.238 -12.836 -5.674 149 H ARG 20 HN ARG 20 -1.592 -12.484 -4.391 150 HA ARG 20 HA ARG 20 -3.383 -12.517 -2.235 151 HB2 ARG 20 HB2 ARG 20 -4.999 -13.501 -3.788 152 HB3 ARG 20 HB3 ARG 20 -4.197 -12.055 -4.374 153 HG2 ARG 20 HG2 ARG 20 -2.648 -13.625 -5.692 154 HG3 ARG 20 HG3 ARG 20 -3.732 -14.943 -5.245 155 HD2 ARG 20 HD2 ARG 20 -4.970 -12.493 -6.479 156 HD3 ARG 20 HD3 ARG 20 -3.935 -13.457 -7.513 157 HE ARG 20 HE ARG 20 -5.343 -15.152 -7.611 158 HH11 ARG 20 HH11 ARG 20 -6.561 -12.900 -5.085 159 HH12 ARG 20 HH12 ARG 20 -8.048 -13.698 -4.894 160 HH21 ARG 20 HH21 ARG 20 -7.460 -16.112 -7.440 161 HH22 ARG 20 HH22 ARG 20 -8.534 -15.636 -6.186 162 H ALA 21 HN ALA 21 -1.366 -15.156 -3.186 163 HA ALA 21 HA ALA 21 -3.079 -17.183 -1.859 164 HB1 ALA 21 HB1 ALA 21 -2.323 -17.773 -4.087 165 HB2 ALA 21 HB2 ALA 21 -0.635 -17.384 -3.673 166 HB3 ALA 21 HB3 ALA 21 -1.423 -18.777 -2.933 167 H GLY 22 HN GLY 22 -0.913 -14.937 -0.743 168 HA2 GLY 22 HA2 GLY 22 0.206 -14.922 1.284 169 HA3 GLY 22 HA1 GLY 22 -0.357 -16.532 1.571 170 H LYS 23 HN LYS 23 1.715 -15.385 -1.222 171 HA LYS 23 HA LYS 23 3.973 -16.441 0.248 172 HB2 LYS 23 HB2 LYS 23 2.617 -17.542 -2.473 173 HB3 LYS 23 HB3 LYS 23 4.307 -17.801 -2.340 174 HG2 LYS 23 HG2 LYS 23 3.822 -19.725 -1.478 175 HG3 LYS 23 HG3 LYS 23 3.396 -18.954 -0.003 176 HD2 LYS 23 HD2 LYS 23 1.473 -18.908 -0.745 177 HD3 LYS 23 HD3 LYS 23 1.327 -19.600 -2.219 178 HE2 LYS 23 HE2 LYS 23 0.477 -21.345 -1.029 179 HE3 LYS 23 HE3 LYS 23 2.166 -21.816 -1.336 180 HZ1 LYS 23 HZ1 LYS 23 1.148 -20.630 1.169 181 HZ2 LYS 23 HZ2 LYS 23 2.686 -21.173 0.895 182 HZ3 LYS 23 HZ3 LYS 23 1.408 -22.218 0.927 183 HA PRO 24 HA PRO 24 6.303 -13.720 -1.335 184 HB2 PRO 24 HB2 PRO 24 8.816 -14.726 -1.629 185 HB3 PRO 24 HB3 PRO 24 7.965 -14.609 -0.084 186 HG2 PRO 24 HG2 PRO 24 8.126 -17.007 -1.960 187 HG3 PRO 24 HG3 PRO 24 8.521 -16.952 -0.236 188 HD2 PRO 24 HD2 PRO 24 6.088 -17.767 -1.053 189 HD3 PRO 24 HD3 PRO 24 6.200 -16.698 0.361 190 H PHE 25 HN PHE 25 6.404 -12.631 -3.063 191 HA PHE 25 HA PHE 25 6.344 -13.994 -5.682 192 HB2 PHE 25 HB2 PHE 25 4.578 -12.503 -5.534 193 HB3 PHE 25 HB3 PHE 25 5.461 -11.364 -4.542 194 HD1 PHE 25 HD1 PHE 25 4.710 -12.560 -7.983 195 HD2 PHE 25 HD2 PHE 25 6.843 -9.657 -5.584 196 HE1 PHE 25 HE1 PHE 25 5.232 -11.281 -10.027 197 HE2 PHE 25 HE2 PHE 25 7.289 -8.331 -7.676 198 HZ PHE 25 HZ PHE 25 6.517 -9.173 -9.885 199 H ARG 26 HN ARG 26 8.024 -13.645 -7.198 200 HA ARG 26 HA ARG 26 10.118 -11.856 -6.361 201 HB2 ARG 26 HB2 ARG 26 11.785 -13.302 -6.611 202 HB3 ARG 26 HB3 ARG 26 10.564 -14.500 -6.413 203 HG2 ARG 26 HG2 ARG 26 11.627 -15.377 -8.188 204 HG3 ARG 26 HG3 ARG 26 10.439 -14.431 -9.085 205 HD2 ARG 26 HD2 ARG 26 12.068 -12.797 -9.682 206 HD3 ARG 26 HD3 ARG 26 13.100 -13.226 -8.308 207 HE ARG 26 HE ARG 26 13.962 -15.038 -9.555 208 HH11 ARG 26 HH11 ARG 26 11.194 -13.594 -11.372 209 HH12 ARG 26 HH12 ARG 26 11.370 -14.697 -12.671 210 HH21 ARG 26 HH21 ARG 26 14.263 -16.308 -11.485 211 HH22 ARG 26 HH22 ARG 26 13.101 -16.152 -12.766 212 HA PRO 27 HA PRO 27 12.162 -11.479 -7.813 213 HB2 PRO 27 HB2 PRO 27 13.090 -9.061 -8.572 214 HB3 PRO 27 HB3 PRO 27 13.108 -10.475 -9.656 215 HG2 PRO 27 HG2 PRO 27 11.049 -8.259 -9.582 216 HG3 PRO 27 HG3 PRO 27 11.891 -8.979 -10.998 217 HD2 PRO 27 HD2 PRO 27 9.387 -9.789 -10.258 218 HD3 PRO 27 HD3 PRO 27 10.592 -10.935 -10.916 219 H SER 28 HN SER 28 12.565 -11.035 -5.800 220 HA SER 28 HA SER 28 10.567 -9.625 -4.281 221 HB2 SER 28 HB2 SER 28 12.718 -11.527 -3.785 222 HB3 SER 28 HB3 SER 28 12.921 -10.075 -2.764 223 HG SER 28 HG SER 28 10.692 -11.786 -3.009 224 H ASP 29 HN ASP 29 13.173 -8.565 -6.071 225 HA ASP 29 HA ASP 29 13.969 -6.173 -4.732 226 HB2 ASP 29 HB2 ASP 29 15.211 -5.754 -6.580 227 HB3 ASP 29 HB3 ASP 29 15.079 -7.488 -6.675 228 H TRP 30 HN TRP 30 10.978 -6.994 -6.236 229 HA TRP 30 HA TRP 30 10.164 -4.762 -7.522 230 HB2 TRP 30 HB2 TRP 30 7.949 -5.460 -7.263 231 HB3 TRP 30 HB3 TRP 30 8.907 -6.927 -7.227 232 HD1 TRP 30 HD1 TRP 30 8.808 -8.333 -4.934 233 HE1 TRP 30 HE1 TRP 30 7.578 -8.060 -2.728 234 HE3 TRP 30 HE3 TRP 30 6.726 -3.694 -5.697 235 HZ2 TRP 30 HZ2 TRP 30 5.903 -6.093 -1.403 236 HZ3 TRP 30 HZ3 TRP 30 5.461 -2.600 -3.863 237 HH2 TRP 30 HH2 TRP 30 5.068 -3.806 -1.732 238 H VAL 31 HN VAL 31 10.460 -5.186 -4.113 239 HA VAL 31 HA VAL 31 8.894 -3.103 -3.046 240 HB VAL 31 HB VAL 31 11.543 -4.300 -2.131 241 HG11 VAL 31 HG11 VAL 31 11.301 -2.467 -0.757 242 HG12 VAL 31 HG12 VAL 31 9.555 -2.670 -0.562 243 HG13 VAL 31 HG13 VAL 31 10.679 -3.808 0.221 244 HG21 VAL 31 HG21 VAL 31 8.909 -5.260 -1.031 245 HG22 VAL 31 HG22 VAL 31 9.553 -5.923 -2.543 246 HG23 VAL 31 HG23 VAL 31 10.520 -6.037 -1.112 247 H ASP 32 HN ASP 32 12.284 -3.176 -4.265 248 HA ASP 32 HA ASP 32 12.644 -0.338 -3.633 249 HB2 ASP 32 HB2 ASP 32 14.354 -2.531 -3.809 250 HB3 ASP 32 HB3 ASP 32 14.719 -1.609 -5.265 251 H ARG 33 HN ARG 33 11.641 -2.358 -6.231 252 HA ARG 33 HA ARG 33 12.030 -0.479 -8.440 253 HB2 ARG 33 HB2 ARG 33 10.123 -2.816 -8.108 254 HB3 ARG 33 HB3 ARG 33 10.389 -2.004 -9.604 255 HG2 ARG 33 HG2 ARG 33 12.858 -3.079 -8.274 256 HG3 ARG 33 HG3 ARG 33 11.732 -4.253 -8.928 257 HD2 ARG 33 HD2 ARG 33 11.786 -3.225 -11.125 258 HD3 ARG 33 HD3 ARG 33 12.731 -1.856 -10.524 259 HE ARG 33 HE ARG 33 13.652 -4.534 -11.183 260 HH11 ARG 33 HH11 ARG 33 14.370 -1.725 -9.192 261 HH12 ARG 33 HH12 ARG 33 16.089 -1.796 -9.372 262 HH21 ARG 33 HH21 ARG 33 15.841 -4.883 -11.130 263 HH22 ARG 33 HH22 ARG 33 16.973 -3.594 -10.768 264 H MET 34 HN MET 34 10.117 -0.322 -5.756 265 HA MET 34 HA MET 34 8.124 1.410 -7.179 266 HB2 MET 34 HB2 MET 34 8.168 0.037 -4.468 267 HB3 MET 34 HB3 MET 34 7.048 1.348 -4.841 268 HG2 MET 34 HG2 MET 34 6.695 -0.173 -7.046 269 HG3 MET 34 HG3 MET 34 7.148 -1.445 -5.918 270 HE1 MET 34 HE1 MET 34 3.109 -0.500 -6.808 271 HE2 MET 34 HE2 MET 34 4.303 0.650 -7.424 272 HE3 MET 34 HE3 MET 34 4.584 -1.087 -7.630 273 H CYS 35 HN CYS 35 10.479 1.346 -4.498 274 HA CYS 35 HA CYS 35 9.970 3.940 -3.637 275 HB2 CYS 35 HB2 CYS 35 11.981 3.796 -2.381 276 HB3 CYS 35 HB3 CYS 35 11.300 2.156 -2.513 277 HG CYS 35 HG CYS 35 12.900 1.554 -4.663 278 H SER 36 HN SER 36 12.321 2.922 -6.148 279 HA SER 36 HA SER 36 13.332 5.567 -6.636 280 HB2 SER 36 HB2 SER 36 13.672 2.834 -7.780 281 HB3 SER 36 HB3 SER 36 14.143 4.173 -8.775 282 HG SER 36 HG SER 36 15.670 3.169 -7.121 283 H THR 37 HN THR 37 10.758 3.575 -8.219 284 HA THR 37 HA THR 37 10.229 5.286 -10.352 285 HB THR 37 HB THR 37 8.202 3.686 -8.731 286 HG1 THR 37 HG1 THR 37 9.932 2.980 -10.841 287 HG21 THR 37 HG21 THR 37 8.054 4.889 -11.513 288 HG22 THR 37 HG22 THR 37 6.873 4.971 -10.180 289 HG23 THR 37 HG23 THR 37 7.089 3.467 -11.070 290 H TYR 38 HN TYR 38 9.450 5.823 -6.955 291 HA TYR 38 HA TYR 38 8.119 8.407 -7.692 292 HB2 TYR 38 HB2 TYR 38 7.438 6.460 -5.448 293 HB3 TYR 38 HB3 TYR 38 6.884 8.136 -5.507 294 HD1 TYR 38 HD2 TYR 38 5.376 8.997 -7.101 295 HD2 TYR 38 HD1 TYR 38 6.396 4.828 -6.968 296 HE1 TYR 38 HE2 TYR 38 3.475 8.528 -8.522 297 HE2 TYR 38 HE1 TYR 38 4.441 4.299 -8.439 298 HH TYR 38 HH TYR 38 2.630 6.868 -10.072 299 H ALA 39 HN ALA 39 10.921 8.103 -7.509 300 HA ALA 39 HA ALA 39 11.487 9.349 -4.845 301 HB1 ALA 39 HB1 ALA 39 13.528 8.168 -6.721 302 HB2 ALA 39 HB2 ALA 39 13.620 8.503 -4.942 303 HB3 ALA 39 HB3 ALA 39 12.657 7.218 -5.531 304 H SER 40 HN SER 40 13.678 10.700 -5.247 305 HA SER 40 HA SER 40 14.121 12.093 -7.503 306 HB2 SER 40 HB2 SER 40 13.423 14.441 -6.873 307 HB3 SER 40 HB3 SER 40 12.124 13.370 -7.363 308 HG SER 40 HG SER 40 11.720 13.024 -5.066 309 H PHE 41 HN PHE 41 16.035 13.190 -7.323 310 HA PHE 41 HA PHE 41 17.728 12.434 -5.106 311 HB2 PHE 41 HB2 PHE 41 17.964 14.270 -7.493 312 HB3 PHE 41 HB3 PHE 41 19.275 14.184 -6.296 313 HD1 PHE 41 HD2 PHE 41 17.336 11.222 -7.548 314 HD2 PHE 41 HD1 PHE 41 20.913 13.516 -7.946 315 HE1 PHE 41 HE2 PHE 41 18.315 9.442 -8.877 316 HE2 PHE 41 HE1 PHE 41 21.873 11.770 -9.409 317 HZ PHE 41 HZ PHE 41 20.543 9.768 -9.959 318 H GLY 42 HN GLY 42 18.916 13.897 -3.683 319 HA2 GLY 42 HA2 GLY 42 16.973 15.804 -2.485 320 HA3 GLY 42 HA1 GLY 42 18.136 14.808 -1.624 321 H ALA 43 HN ALA 43 18.415 16.940 -4.433 322 HA ALA 43 HA ALA 43 19.808 18.481 -5.100 323 HB1 ALA 43 HB1 ALA 43 18.661 19.862 -3.471 324 HB2 ALA 43 HB2 ALA 43 19.865 19.415 -2.229 325 HB3 ALA 43 HB3 ALA 43 20.347 20.368 -3.655 326 H ASP 44 HN ASP 44 20.958 15.987 -3.352 327 HA ASP 44 HA ASP 44 23.745 16.909 -3.204 328 HB2 ASP 44 HB2 ASP 44 21.969 15.604 -1.449 329 HB3 ASP 44 HB3 ASP 44 23.166 14.391 -1.853 330 H ARG 45 HN ARG 45 22.171 15.436 -5.442 331 HA ARG 45 HA ARG 45 22.482 13.901 -7.024 332 HB2 ARG 45 HB2 ARG 45 25.417 14.408 -6.568 333 HB3 ARG 45 HB3 ARG 45 24.773 13.396 -7.853 334 HG2 ARG 45 HG2 ARG 45 24.756 15.231 -9.116 335 HG3 ARG 45 HG3 ARG 45 23.253 15.590 -8.294 336 HD2 ARG 45 HD2 ARG 45 24.469 17.578 -8.211 337 HD3 ARG 45 HD3 ARG 45 24.673 16.908 -6.577 338 HE ARG 45 HE ARG 45 26.793 15.916 -8.063 339 HH11 ARG 45 HH11 ARG 45 25.569 19.106 -7.285 340 HH12 ARG 45 HH12 ARG 45 27.057 19.963 -7.489 341 HH21 ARG 45 HH21 ARG 45 28.869 16.960 -8.228 342 HH22 ARG 45 HH22 ARG 45 29.027 18.656 -7.956 343 H LYS 46 HN LYS 46 21.672 12.711 -4.533 344 HA LYS 46 HA LYS 46 22.933 10.120 -5.022 345 HB2 LYS 46 HB2 LYS 46 23.950 11.395 -3.031 346 HB3 LYS 46 HB3 LYS 46 22.369 11.210 -2.267 347 HG2 LYS 46 HG2 LYS 46 23.161 8.528 -2.960 348 HG3 LYS 46 HG3 LYS 46 24.611 9.337 -2.500 349 HD2 LYS 46 HD2 LYS 46 23.136 10.230 -0.457 350 HD3 LYS 46 HD3 LYS 46 22.180 8.781 -0.795 351 HE2 LYS 46 HE2 LYS 46 25.194 8.883 -0.410 352 HE3 LYS 46 HE3 LYS 46 24.057 8.589 0.923 353 HZ1 LYS 46 HZ1 LYS 46 23.831 6.850 -1.400 354 HZ2 LYS 46 HZ2 LYS 46 23.682 6.494 0.204 355 HZ3 LYS 46 HZ3 LYS 46 25.183 6.699 -0.441 356 H LEU 47 HN LEU 47 20.277 10.946 -5.792 357 HA LEU 47 HA LEU 47 18.145 10.362 -5.606 358 HB2 LEU 47 HB2 LEU 47 19.634 8.164 -6.061 359 HB3 LEU 47 HB3 LEU 47 18.897 7.624 -4.581 360 HG LEU 47 HG LEU 47 17.122 8.843 -6.619 361 HD11 LEU 47 HD11 LEU 47 18.584 7.470 -8.037 362 HD12 LEU 47 HD12 LEU 47 16.792 7.428 -8.119 363 HD13 LEU 47 HD13 LEU 47 17.693 6.080 -7.352 364 HD21 LEU 47 HD21 LEU 47 15.629 6.956 -5.915 365 HD22 LEU 47 HD22 LEU 47 16.333 7.680 -4.432 366 HD23 LEU 47 HD23 LEU 47 17.005 6.186 -5.103 367 H ARG 48 HN ARG 48 16.281 9.564 -3.978 368 HA ARG 48 HA ARG 48 16.695 9.631 -1.167 369 HB2 ARG 48 HB2 ARG 48 16.575 12.239 -2.469 370 HB3 ARG 48 HB3 ARG 48 15.056 12.025 -1.652 371 HG2 ARG 48 HG2 ARG 48 17.745 11.642 -0.296 372 HG3 ARG 48 HG3 ARG 48 16.865 13.166 -0.350 373 HD2 ARG 48 HD2 ARG 48 15.111 12.386 0.987 374 HD3 ARG 48 HD3 ARG 48 15.520 10.682 0.704 375 HE ARG 48 HE ARG 48 16.646 12.520 2.681 376 HH11 ARG 48 HH11 ARG 48 16.930 9.304 1.173 377 HH12 ARG 48 HH12 ARG 48 18.337 8.847 2.024 378 HH21 ARG 48 HH21 ARG 48 18.542 11.832 3.911 379 HH22 ARG 48 HH22 ARG 48 19.198 10.248 3.678 380 H TYR 49 HN TYR 49 15.347 7.914 -0.950 381 HA TYR 49 HA TYR 49 12.763 7.728 -2.241 382 HB2 TYR 49 HB2 TYR 49 13.648 6.427 0.353 383 HB3 TYR 49 HB3 TYR 49 12.401 5.874 -0.744 384 HD1 TYR 49 HD1 TYR 49 13.862 6.083 -3.382 385 HD2 TYR 49 HD2 TYR 49 15.116 4.602 0.442 386 HE1 TYR 49 HE1 TYR 49 15.489 4.634 -4.509 387 HE2 TYR 49 HE2 TYR 49 16.622 2.968 -0.679 388 HH TYR 49 HH TYR 49 16.342 1.916 -3.568 389 H SER 50 HN SER 50 10.821 8.362 -1.430 390 HA SER 50 HA SER 50 10.645 10.617 0.368 391 HB2 SER 50 HB2 SER 50 8.545 8.693 -0.750 392 HB3 SER 50 HB3 SER 50 8.186 10.246 -0.005 393 HG SER 50 HG SER 50 8.465 9.918 -2.377 394 HA PRO 51 HA PRO 51 9.774 8.649 4.266 395 HB2 PRO 51 HB2 PRO 51 7.560 10.100 5.148 396 HB3 PRO 51 HB3 PRO 51 9.257 10.639 5.310 397 HG2 PRO 51 HG2 PRO 51 7.195 11.394 3.218 398 HG3 PRO 51 HG3 PRO 51 8.414 12.444 4.004 399 HD2 PRO 51 HD2 PRO 51 8.728 11.507 1.521 400 HD3 PRO 51 HD3 PRO 51 10.114 11.739 2.629 401 H TYR 52 HN TYR 52 7.231 9.257 1.917 402 HA TYR 52 HA TYR 52 5.251 7.675 3.239 403 HB2 TYR 52 HB2 TYR 52 5.257 9.018 0.492 404 HB3 TYR 52 HB3 TYR 52 3.876 8.433 1.350 405 HD1 TYR 52 HD2 TYR 52 4.580 9.491 4.220 406 HD2 TYR 52 HD1 TYR 52 4.833 11.313 0.281 407 HE1 TYR 52 HE2 TYR 52 4.147 11.708 5.191 408 HE2 TYR 52 HE1 TYR 52 4.442 13.502 1.285 409 HH TYR 52 HH TYR 52 4.102 14.713 3.222 410 H LEU 53 HN LEU 53 7.772 6.357 1.873 411 HA LEU 53 HA LEU 53 6.319 4.070 0.802 412 HB2 LEU 53 HB2 LEU 53 7.349 6.199 -0.884 413 HB3 LEU 53 HB3 LEU 53 8.311 4.761 -1.186 414 HG LEU 53 HG LEU 53 5.271 4.783 -1.360 415 HD11 LEU 53 HD11 LEU 53 5.636 6.039 -3.232 416 HD12 LEU 53 HD12 LEU 53 6.231 4.530 -3.950 417 HD13 LEU 53 HD13 LEU 53 7.373 5.693 -3.270 418 HD21 LEU 53 HD21 LEU 53 6.261 2.622 -0.929 419 HD22 LEU 53 HD22 LEU 53 7.470 2.873 -2.223 420 HD23 LEU 53 HD23 LEU 53 5.752 2.678 -2.613 421 H LYS 54 HN LYS 54 7.390 2.766 2.375 422 HA LYS 54 HA LYS 54 10.323 2.585 2.035 423 HB2 LYS 54 HB2 LYS 54 9.002 3.364 4.655 424 HB3 LYS 54 HB3 LYS 54 10.580 2.569 4.605 425 HG2 LYS 54 HG2 LYS 54 11.277 4.387 2.897 426 HG3 LYS 54 HG3 LYS 54 9.831 5.267 3.415 427 HD2 LYS 54 HD2 LYS 54 12.116 4.385 5.222 428 HD3 LYS 54 HD3 LYS 54 11.954 5.959 4.446 429 HE2 LYS 54 HE2 LYS 54 9.471 5.571 5.765 430 HE3 LYS 54 HE3 LYS 54 10.686 4.939 6.885 431 HZ1 LYS 54 HZ1 LYS 54 10.440 7.636 5.807 432 HZ2 LYS 54 HZ2 LYS 54 11.902 7.113 6.357 433 HZ3 LYS 54 HZ3 LYS 54 10.611 7.164 7.387 434 HA PRO 55 HA PRO 55 9.587 -1.716 2.452 435 HB2 PRO 55 HB2 PRO 55 12.054 -2.700 3.076 436 HB3 PRO 55 HB3 PRO 55 11.702 -1.927 1.503 437 HG2 PRO 55 HG2 PRO 55 12.958 -0.648 3.934 438 HG3 PRO 55 HG3 PRO 55 13.543 -0.622 2.235 439 HD2 PRO 55 HD2 PRO 55 12.062 1.417 3.289 440 HD3 PRO 55 HD3 PRO 55 11.877 0.918 1.587 441 H ARG 56 HN ARG 56 9.755 -3.598 4.069 442 HA ARG 56 HA ARG 56 9.921 -2.779 6.876 443 HB2 ARG 56 HB2 ARG 56 7.431 -2.801 5.398 444 HB3 ARG 56 HB3 ARG 56 7.459 -4.226 6.418 445 HG2 ARG 56 HG2 ARG 56 8.202 -2.609 8.314 446 HG3 ARG 56 HG3 ARG 56 7.572 -1.338 7.227 447 HD2 ARG 56 HD2 ARG 56 5.506 -3.022 7.065 448 HD3 ARG 56 HD3 ARG 56 6.215 -3.684 8.552 449 HE ARG 56 HE ARG 56 5.544 -0.784 8.442 450 HH11 ARG 56 HH11 ARG 56 4.780 -4.013 9.633 451 HH12 ARG 56 HH12 ARG 56 3.257 -3.569 10.331 452 HH21 ARG 56 HH21 ARG 56 3.831 -0.037 9.733 453 HH22 ARG 56 HH22 ARG 56 2.865 -1.143 10.620 454 H VAL 57 HN VAL 57 8.930 -5.055 8.091 455 HA VAL 57 HA VAL 57 9.707 -7.391 6.626 456 HB VAL 57 HB VAL 57 11.201 -6.888 9.233 457 HG11 VAL 57 HG11 VAL 57 10.681 -9.215 9.059 458 HG12 VAL 57 HG12 VAL 57 10.959 -9.241 7.309 459 HG13 VAL 57 HG13 VAL 57 12.328 -9.082 8.430 460 HG21 VAL 57 HG21 VAL 57 12.329 -5.630 7.448 461 HG22 VAL 57 HG22 VAL 57 13.276 -7.040 7.885 462 HG23 VAL 57 HG23 VAL 57 12.316 -7.054 6.392 463 H ILE 58 HN ILE 58 7.680 -8.162 6.772 464 HA ILE 58 HA ILE 58 6.297 -8.424 9.391 465 HB ILE 58 HB ILE 58 5.155 -8.067 6.570 466 HG12 ILE 58 HG12 ILE 58 4.865 -6.399 9.109 467 HG13 ILE 58 HG13 ILE 58 5.733 -5.949 7.667 468 HG21 ILE 58 HG21 ILE 58 3.560 -8.749 9.049 469 HG22 ILE 58 HG22 ILE 58 2.972 -8.517 7.381 470 HG23 ILE 58 HG23 ILE 58 3.952 -9.900 7.757 471 HD11 ILE 58 HD11 ILE 58 2.734 -6.222 7.959 472 HD12 ILE 58 HD12 ILE 58 3.711 -4.804 7.560 473 HD13 ILE 58 HD13 ILE 58 3.551 -6.117 6.379 474 H GLU 59 HN GLU 59 6.145 -10.580 9.883 475 HA GLU 59 HA GLU 59 6.558 -12.860 9.734 476 HB2 GLU 59 HB2 GLU 59 4.760 -12.391 7.315 477 HB3 GLU 59 HB3 GLU 59 5.134 -13.989 8.036 478 HG2 GLU 59 HG2 GLU 59 4.171 -13.294 10.158 479 HG3 GLU 59 HG3 GLU 59 3.899 -11.649 9.561 480 H GLY 60 HN GLY 60 8.743 -11.477 8.777 481 HA2 GLY 60 HA2 GLY 60 10.663 -11.801 7.544 482 HA3 GLY 60 HA1 GLY 60 10.094 -13.464 7.276 483 H VAL 61 HN VAL 61 8.200 -10.702 6.104 484 HA VAL 61 HA VAL 61 9.135 -11.169 3.309 485 HB VAL 61 HB VAL 61 6.396 -10.196 4.228 486 HG11 VAL 61 HG11 VAL 61 7.201 -11.273 1.493 487 HG12 VAL 61 HG12 VAL 61 5.656 -10.524 1.977 488 HG13 VAL 61 HG13 VAL 61 7.115 -9.561 1.903 489 HG21 VAL 61 HG21 VAL 61 6.363 -12.880 3.042 490 HG22 VAL 61 HG22 VAL 61 7.203 -12.854 4.563 491 HG23 VAL 61 HG23 VAL 61 5.582 -12.216 4.532 492 H ARG 62 HN ARG 62 9.550 -9.416 2.122 493 HA ARG 62 HA ARG 62 10.600 -7.087 3.341 494 HB2 ARG 62 HB2 ARG 62 9.744 -7.517 0.450 495 HB3 ARG 62 HB3 ARG 62 10.882 -6.316 1.005 496 HG2 ARG 62 HG2 ARG 62 11.678 -9.101 1.735 497 HG3 ARG 62 HG3 ARG 62 11.479 -8.860 0.001 498 HD2 ARG 62 HD2 ARG 62 13.755 -8.467 0.604 499 HD3 ARG 62 HD3 ARG 62 12.989 -6.976 0.050 500 HE ARG 62 HE ARG 62 12.655 -7.182 2.860 501 HH11 ARG 62 HH11 ARG 62 15.476 -6.862 0.722 502 HH12 ARG 62 HH12 ARG 62 16.190 -5.586 1.655 503 HH21 ARG 62 HH21 ARG 62 13.646 -5.421 4.081 504 HH22 ARG 62 HH22 ARG 62 15.058 -4.659 3.488 505 H CYS 63 HN CYS 63 7.764 -7.259 1.145 506 HA CYS 63 HA CYS 63 5.971 -5.900 0.830 507 HB2 CYS 63 HB2 CYS 63 6.057 -5.266 3.768 508 HB3 CYS 63 HB3 CYS 63 4.645 -5.371 2.740 509 HG CYS 63 HG CYS 63 6.547 -7.702 4.052 510 H LEU 64 HN LEU 64 5.041 -3.524 1.574 511 HA LEU 64 HA LEU 64 7.220 -1.540 1.657 512 HB2 LEU 64 HB2 LEU 64 6.973 -2.335 -0.693 513 HB3 LEU 64 HB3 LEU 64 5.252 -1.942 -0.622 514 HG LEU 64 HG LEU 64 5.740 0.426 -0.354 515 HD11 LEU 64 HD11 LEU 64 8.025 1.298 -0.728 516 HD12 LEU 64 HD12 LEU 64 8.683 -0.349 -0.632 517 HD13 LEU 64 HD13 LEU 64 7.887 0.420 0.769 518 HD21 LEU 64 HD21 LEU 64 7.023 -1.068 -2.678 519 HD22 LEU 64 HD22 LEU 64 6.823 0.676 -2.656 520 HD23 LEU 64 HD23 LEU 64 5.391 -0.353 -2.563 521 H ALA 65 HN ALA 65 6.485 -0.282 3.284 522 HA ALA 65 HA ALA 65 3.699 0.169 3.989 523 HB1 ALA 65 HB1 ALA 65 4.738 1.876 5.468 524 HB2 ALA 65 HB2 ALA 65 5.514 0.278 5.667 525 HB3 ALA 65 HB3 ALA 65 6.323 1.563 4.749 526 H VAL 66 HN VAL 66 2.410 1.802 3.040 527 HA VAL 66 HA VAL 66 3.760 3.970 1.566 528 HB VAL 66 HB VAL 66 1.323 2.600 0.458 529 HG11 VAL 66 HG11 VAL 66 1.740 4.180 -1.447 530 HG12 VAL 66 HG12 VAL 66 1.326 4.997 0.057 531 HG13 VAL 66 HG13 VAL 66 3.007 4.964 -0.486 532 HG21 VAL 66 HG21 VAL 66 2.577 1.248 -0.721 533 HG22 VAL 66 HG22 VAL 66 3.581 2.594 -1.325 534 HG23 VAL 66 HG23 VAL 66 4.001 1.757 0.162 535 H ASP 67 HN ASP 67 3.138 5.815 2.655 536 HA ASP 67 HA ASP 67 0.911 5.792 4.600 537 HB2 ASP 67 HB2 ASP 67 3.007 7.741 3.701 538 HB3 ASP 67 HB3 ASP 67 1.502 8.363 4.400 539 H LEU 68 HN LEU 68 -1.011 6.926 4.382 540 HA LEU 68 HA LEU 68 -2.053 7.361 1.739 541 HB2 LEU 68 HB2 LEU 68 -3.144 7.007 4.363 542 HB3 LEU 68 HB3 LEU 68 -3.928 8.339 3.555 543 HG LEU 68 HG LEU 68 -3.551 5.544 2.445 544 HD11 LEU 68 HD11 LEU 68 -5.157 5.527 4.292 545 HD12 LEU 68 HD12 LEU 68 -6.073 5.386 2.797 546 HD13 LEU 68 HD13 LEU 68 -6.007 6.944 3.640 547 HD21 LEU 68 HD21 LEU 68 -5.134 7.938 1.368 548 HD22 LEU 68 HD22 LEU 68 -5.312 6.277 0.751 549 HD23 LEU 68 HD23 LEU 68 -3.769 7.118 0.571 550 H LYS 69 HN LYS 69 -0.419 9.465 3.880 551 HA LYS 69 HA LYS 69 -1.707 11.945 3.259 552 HB2 LYS 69 HB2 LYS 69 0.065 11.405 5.023 553 HB3 LYS 69 HB3 LYS 69 1.278 11.593 3.774 554 HG2 LYS 69 HG2 LYS 69 -0.670 13.721 4.752 555 HG3 LYS 69 HG3 LYS 69 1.028 13.517 5.222 556 HD2 LYS 69 HD2 LYS 69 1.675 14.897 3.685 557 HD3 LYS 69 HD3 LYS 69 1.190 13.781 2.448 558 HE2 LYS 69 HE2 LYS 69 0.060 15.779 1.875 559 HE3 LYS 69 HE3 LYS 69 -1.209 14.885 2.727 560 HZ1 LYS 69 HZ1 LYS 69 -0.645 16.163 4.727 561 HZ2 LYS 69 HZ2 LYS 69 -1.029 17.189 3.488 562 HZ3 LYS 69 HZ3 LYS 69 0.554 16.952 3.921 563 H LEU 70 HN LEU 70 0.607 10.089 1.375 564 HA LEU 70 HA LEU 70 1.452 11.980 -0.487 565 HB2 LEU 70 HB2 LEU 70 2.684 10.072 -0.310 566 HB3 LEU 70 HB3 LEU 70 1.321 9.001 -0.474 567 HG LEU 70 HG LEU 70 1.160 9.823 -2.940 568 HD11 LEU 70 HD11 LEU 70 3.970 10.798 -2.266 569 HD12 LEU 70 HD12 LEU 70 2.572 11.862 -2.546 570 HD13 LEU 70 HD13 LEU 70 3.175 10.791 -3.846 571 HD21 LEU 70 HD21 LEU 70 1.906 7.674 -2.777 572 HD22 LEU 70 HD22 LEU 70 3.179 8.023 -1.602 573 HD23 LEU 70 HD23 LEU 70 3.441 8.387 -3.307 574 H LYS 71 HN LYS 71 -1.576 10.216 -0.206 575 HA LYS 71 HA LYS 71 -2.527 10.434 -2.869 576 HB2 LYS 71 HB2 LYS 71 -3.243 8.834 -1.127 577 HB3 LYS 71 HB3 LYS 71 -4.009 10.157 -0.237 578 HG2 LYS 71 HG2 LYS 71 -5.821 9.273 -1.236 579 HG3 LYS 71 HG3 LYS 71 -5.407 10.473 -2.473 580 HD2 LYS 71 HD2 LYS 71 -4.337 8.711 -3.826 581 HD3 LYS 71 HD3 LYS 71 -4.478 7.592 -2.459 582 HE2 LYS 71 HE2 LYS 71 -6.158 7.039 -4.138 583 HE3 LYS 71 HE3 LYS 71 -6.891 7.560 -2.609 584 HZ1 LYS 71 HZ1 LYS 71 -6.660 9.171 -5.073 585 HZ2 LYS 71 HZ2 LYS 71 -7.167 9.756 -3.590 586 HZ3 LYS 71 HZ3 LYS 71 -8.030 8.623 -4.331 587 H ASP 72 HN ASP 72 -2.466 12.686 -0.104 588 HA ASP 72 HA ASP 72 -4.395 14.537 -1.277 589 HB2 ASP 72 HB2 ASP 72 -4.077 14.527 1.101 590 HB3 ASP 72 HB3 ASP 72 -2.340 14.732 0.917 591 H THR 73 HN THR 73 -0.860 14.412 -0.995 592 HA THR 73 HA THR 73 -0.593 16.852 -2.556 593 HB THR 73 HB THR 73 0.948 16.285 -0.774 594 HG1 THR 73 HG1 THR 73 2.223 16.478 -3.291 595 HG21 THR 73 HG21 THR 73 2.715 14.638 -1.085 596 HG22 THR 73 HG22 THR 73 2.032 14.180 -2.669 597 HG23 THR 73 HG23 THR 73 1.123 13.879 -1.175 598 H ASN 74 HN ASN 74 -0.783 13.478 -3.409 599 HA ASN 74 HA ASN 74 -0.600 14.011 -6.271 600 HB2 ASN 74 HB2 ASN 74 1.807 13.910 -5.451 601 HB3 ASN 74 HB3 ASN 74 1.491 12.256 -4.922 602 HD21 ASN 74 HD21 ASN 74 1.979 10.650 -6.507 603 HD22 ASN 74 HD22 ASN 74 2.320 11.142 -8.169 604 HA PRO 75 HA PRO 75 -3.156 10.467 -4.774 605 HB2 PRO 75 HB2 PRO 75 -5.423 10.972 -6.316 606 HB3 PRO 75 HB3 PRO 75 -5.105 11.693 -4.712 607 HG2 PRO 75 HG2 PRO 75 -4.615 12.914 -7.406 608 HG3 PRO 75 HG3 PRO 75 -5.356 13.666 -5.947 609 HD2 PRO 75 HD2 PRO 75 -2.746 14.059 -6.607 610 HD3 PRO 75 HD3 PRO 75 -3.264 13.930 -4.909 611 H GLU 76 HN GLU 76 -2.443 11.566 -8.020 612 HA GLU 76 HA GLU 76 -3.319 9.399 -9.560 613 HB2 GLU 76 HB2 GLU 76 -2.346 11.774 -10.150 614 HB3 GLU 76 HB3 GLU 76 -0.762 11.007 -10.049 615 HG2 GLU 76 HG2 GLU 76 -1.198 9.531 -11.813 616 HG3 GLU 76 HG3 GLU 76 -2.936 9.663 -11.634 617 H GLY 77 HN GLY 77 -0.366 9.855 -7.703 618 HA2 GLY 77 HA2 GLY 77 0.947 7.526 -8.865 619 HA3 GLY 77 HA1 GLY 77 1.570 8.585 -7.607 620 H PHE 78 HN PHE 78 -0.424 8.308 -5.644 621 HA PHE 78 HA PHE 78 0.027 5.814 -4.370 622 HB2 PHE 78 HB2 PHE 78 -0.892 7.833 -3.297 623 HB3 PHE 78 HB3 PHE 78 -2.408 7.595 -4.162 624 HD1 PHE 78 HD1 PHE 78 -3.879 5.622 -3.583 625 HD2 PHE 78 HD2 PHE 78 -0.204 6.397 -1.497 626 HE1 PHE 78 HE1 PHE 78 -4.575 4.067 -1.769 627 HE2 PHE 78 HE2 PHE 78 -0.980 4.957 0.401 628 HZ PHE 78 HZ PHE 78 -3.151 3.817 0.256 629 H ASN 79 HN ASN 79 -2.652 6.869 -6.483 630 HA ASN 79 HA ASN 79 -4.252 4.573 -6.580 631 HB2 ASN 79 HB2 ASN 79 -5.029 6.583 -7.470 632 HB3 ASN 79 HB3 ASN 79 -3.601 6.894 -8.374 633 HD21 ASN 79 HD21 ASN 79 -3.588 6.390 -10.530 634 HD22 ASN 79 HD22 ASN 79 -4.773 5.344 -11.267 635 H GLN 80 HN GLN 80 -1.631 5.408 -8.924 636 HA GLN 80 HA GLN 80 -1.744 2.951 -10.352 637 HB2 GLN 80 HB2 GLN 80 0.456 5.005 -9.897 638 HB3 GLN 80 HB3 GLN 80 0.797 3.506 -10.728 639 HG2 GLN 80 HG2 GLN 80 -1.346 4.174 -12.167 640 HG3 GLN 80 HG3 GLN 80 -0.903 5.794 -11.617 641 HE21 GLN 80 HE21 GLN 80 0.805 6.797 -12.796 642 HE22 GLN 80 HE22 GLN 80 1.819 5.937 -13.963 643 H LEU 81 HN LEU 81 -0.067 3.730 -7.331 644 HA LEU 81 HA LEU 81 1.654 1.494 -7.224 645 HB2 LEU 81 HB2 LEU 81 1.281 3.696 -5.707 646 HB3 LEU 81 HB3 LEU 81 0.335 2.547 -4.758 647 HG LEU 81 HG LEU 81 2.986 1.540 -5.542 648 HD11 LEU 81 HD11 LEU 81 4.261 2.866 -4.088 649 HD12 LEU 81 HD12 LEU 81 2.882 3.856 -3.602 650 HD13 LEU 81 HD13 LEU 81 3.528 3.887 -5.299 651 HD21 LEU 81 HD21 LEU 81 1.866 1.852 -2.743 652 HD22 LEU 81 HD22 LEU 81 3.167 0.784 -3.296 653 HD23 LEU 81 HD23 LEU 81 1.496 0.460 -3.806 654 H MET 82 HN MET 82 -1.608 1.993 -5.869 655 HA MET 82 HA MET 82 -2.055 -0.585 -4.824 656 HB2 MET 82 HB2 MET 82 -4.113 1.261 -6.105 657 HB3 MET 82 HB3 MET 82 -4.434 -0.044 -4.968 658 HG2 MET 82 HG2 MET 82 -2.961 2.536 -4.377 659 HG3 MET 82 HG3 MET 82 -4.595 2.137 -3.888 660 HE1 MET 82 HE1 MET 82 -4.569 -0.710 -2.525 661 HE2 MET 82 HE2 MET 82 -4.131 -0.204 -0.882 662 HE3 MET 82 HE3 MET 82 -5.234 0.796 -1.856 663 H HIS 83 HN HIS 83 -2.595 0.735 -8.123 664 HA HIS 83 HA HIS 83 -3.863 -1.593 -9.126 665 HB2 HIS 83 HB2 HIS 83 -3.811 0.750 -10.138 666 HB3 HIS 83 HB3 HIS 83 -2.206 0.397 -10.737 667 HD1 HIS 83 HD1 HIS 83 -2.896 0.458 -13.286 668 HD2 HIS 83 HD2 HIS 83 -4.829 -2.442 -10.914 669 HE1 HIS 83 HE1 HIS 83 -4.193 -1.056 -14.877 670 H PHE 84 HN PHE 84 -0.425 -0.652 -9.211 671 HA PHE 84 HA PHE 84 0.592 -2.794 -10.764 672 HB2 PHE 84 HB2 PHE 84 2.005 -0.948 -10.189 673 HB3 PHE 84 HB3 PHE 84 1.766 -1.178 -8.470 674 HD1 PHE 84 HD2 PHE 84 2.744 -3.224 -7.330 675 HD2 PHE 84 HD1 PHE 84 3.702 -2.231 -11.405 676 HE1 PHE 84 HE2 PHE 84 4.832 -4.523 -7.131 677 HE2 PHE 84 HE1 PHE 84 5.816 -3.534 -11.200 678 HZ PHE 84 HZ PHE 84 6.410 -4.630 -9.058 679 H ALA 85 HN ALA 85 -0.290 -2.635 -7.321 680 HA ALA 85 HA ALA 85 0.757 -5.125 -6.514 681 HB1 ALA 85 HB1 ALA 85 -1.596 -4.676 -5.018 682 HB2 ALA 85 HB2 ALA 85 0.068 -4.159 -4.660 683 HB3 ALA 85 HB3 ALA 85 -1.021 -3.054 -5.440 684 H THR 86 HN THR 86 -2.658 -4.372 -7.581 685 HA THR 86 HA THR 86 -3.515 -7.015 -7.508 686 HB THR 86 HB THR 86 -4.422 -5.050 -9.624 687 HG1 THR 86 HG1 THR 86 -5.531 -4.806 -7.089 688 HG21 THR 86 HG21 THR 86 -5.798 -7.135 -7.857 689 HG22 THR 86 HG22 THR 86 -5.659 -7.111 -9.627 690 HG23 THR 86 HG23 THR 86 -6.692 -5.935 -8.800 691 H GLU 87 HN GLU 87 -1.807 -5.265 -10.135 692 HA GLU 87 HA GLU 87 -2.113 -7.153 -12.190 693 HB2 GLU 87 HB2 GLU 87 -0.403 -4.851 -11.583 694 HB3 GLU 87 HB3 GLU 87 0.548 -6.115 -12.393 695 HG2 GLU 87 HG2 GLU 87 -2.010 -4.780 -13.365 696 HG3 GLU 87 HG3 GLU 87 -0.351 -4.576 -14.003 697 H ASN 88 HN ASN 88 0.493 -6.871 -9.805 698 HA ASN 88 HA ASN 88 1.840 -9.321 -10.713 699 HB2 ASN 88 HB2 ASN 88 2.415 -7.358 -8.469 700 HB3 ASN 88 HB3 ASN 88 3.392 -8.796 -8.793 701 HD21 ASN 88 HD21 ASN 88 2.410 -5.607 -9.970 702 HD22 ASN 88 HD22 ASN 88 3.818 -5.381 -10.970 703 H GLN 89 HN GLN 89 -0.942 -8.956 -9.176 704 HA GLN 89 HA GLN 89 -2.265 -9.986 -7.826 705 HB2 GLN 89 HB2 GLN 89 -0.466 -12.413 -8.092 706 HB3 GLN 89 HB3 GLN 89 -2.161 -12.395 -7.658 707 HG2 GLN 89 HG2 GLN 89 -1.047 -11.747 -10.403 708 HG3 GLN 89 HG3 GLN 89 -1.949 -13.178 -9.891 709 HE21 GLN 89 HE21 GLN 89 -2.364 -10.147 -11.356 710 HE22 GLN 89 HE22 GLN 89 -4.099 -10.046 -11.090 711 H LEU 90 HN LEU 90 -0.532 -8.446 -6.513 712 HA LEU 90 HA LEU 90 0.685 -9.892 -4.257 713 HB2 LEU 90 HB2 LEU 90 0.750 -6.935 -4.956 714 HB3 LEU 90 HB3 LEU 90 1.689 -7.734 -3.693 715 HG LEU 90 HG LEU 90 1.849 -8.276 -6.669 716 HD11 LEU 90 HD11 LEU 90 4.206 -7.322 -6.315 717 HD12 LEU 90 HD12 LEU 90 3.595 -6.708 -4.759 718 HD13 LEU 90 HD13 LEU 90 2.849 -6.190 -6.272 719 HD21 LEU 90 HD21 LEU 90 3.069 -9.710 -4.349 720 HD22 LEU 90 HD22 LEU 90 3.887 -9.625 -5.928 721 HD23 LEU 90 HD23 LEU 90 2.313 -10.341 -5.813 722 H ASN 91 HN ASN 91 0.279 -9.567 -2.126 723 HA ASN 91 HA ASN 91 -2.549 -9.121 -1.606 724 HB2 ASN 91 HB2 ASN 91 -0.810 -10.819 -0.540 725 HB3 ASN 91 HB3 ASN 91 -0.531 -9.540 0.607 726 HD21 ASN 91 HD21 ASN 91 -1.406 -11.501 1.909 727 HD22 ASN 91 HD22 ASN 91 -3.165 -11.575 2.127 728 H ILE 92 HN ILE 92 -3.425 -7.115 -1.169 729 HA ILE 92 HA ILE 92 -1.592 -4.946 -0.340 730 HB ILE 92 HB ILE 92 -4.577 -4.842 -0.807 731 HG12 ILE 92 HG12 ILE 92 -2.321 -4.052 -2.705 732 HG13 ILE 92 HG13 ILE 92 -3.299 -5.512 -2.854 733 HG21 ILE 92 HG21 ILE 92 -4.541 -2.628 -0.363 734 HG22 ILE 92 HG22 ILE 92 -3.087 -2.978 0.572 735 HG23 ILE 92 HG23 ILE 92 -2.935 -2.363 -1.076 736 HD11 ILE 92 HD11 ILE 92 -4.141 -4.009 -4.409 737 HD12 ILE 92 HD12 ILE 92 -5.334 -4.039 -3.090 738 HD13 ILE 92 HD13 ILE 92 -4.196 -2.673 -3.255 739 H LEU 93 HN LEU 93 -0.994 -5.086 1.841 740 HA LEU 93 HA LEU 93 -3.078 -5.827 3.824 741 HB2 LEU 93 HB2 LEU 93 -0.064 -5.871 3.871 742 HB3 LEU 93 HB3 LEU 93 -0.898 -5.435 5.330 743 HG LEU 93 HG LEU 93 -2.088 -7.500 5.428 744 HD11 LEU 93 HD11 LEU 93 -0.860 -8.235 2.761 745 HD12 LEU 93 HD12 LEU 93 -2.565 -7.967 3.087 746 HD13 LEU 93 HD13 LEU 93 -1.751 -9.336 3.837 747 HD21 LEU 93 HD21 LEU 93 -0.128 -9.053 5.628 748 HD22 LEU 93 HD22 LEU 93 0.224 -7.476 6.318 749 HD23 LEU 93 HD23 LEU 93 0.861 -7.859 4.734 750 H ASP 94 HN ASP 94 -3.050 -4.471 5.709 751 HA ASP 94 HA ASP 94 -2.696 -1.610 5.001 752 HB2 ASP 94 HB2 ASP 94 -4.997 -2.799 5.806 753 HB3 ASP 94 HB3 ASP 94 -4.371 -2.349 7.357 754 H ALA 95 HN ALA 95 -2.793 -0.491 7.348 755 HA ALA 95 HA ALA 95 -0.179 -0.534 8.390 756 HB1 ALA 95 HB1 ALA 95 -1.010 0.774 10.316 757 HB2 ALA 95 HB2 ALA 95 -1.742 1.351 8.816 758 HB3 ALA 95 HB3 ALA 95 -2.683 0.325 9.912 759 H GLU 96 HN GLU 96 -2.985 -2.278 9.588 760 HA GLU 96 HA GLU 96 -1.650 -3.496 11.892 761 HB2 GLU 96 HB2 GLU 96 -4.293 -3.837 10.457 762 HB3 GLU 96 HB3 GLU 96 -3.741 -5.084 11.574 763 HG2 GLU 96 HG2 GLU 96 -3.343 -2.830 13.102 764 HG3 GLU 96 HG3 GLU 96 -4.726 -2.347 12.118 765 H GLY 97 HN GLY 97 -1.752 -4.221 8.478 766 HA2 GLY 97 HA2 GLY 97 -0.653 -5.935 7.391 767 HA3 GLY 97 HA1 GLY 97 -0.351 -6.743 8.916 768 H ASN 98 HN ASN 98 -3.554 -5.671 7.943 769 HA ASN 98 HA ASN 98 -4.485 -8.501 7.686 770 HB2 ASN 98 HB2 ASN 98 -6.252 -6.025 7.858 771 HB3 ASN 98 HB3 ASN 98 -6.701 -7.709 8.068 772 HD21 ASN 98 HD21 ASN 98 -7.012 -5.296 9.927 773 HD22 ASN 98 HD22 ASN 98 -6.293 -5.790 11.426 774 H SER 99 HN SER 99 -5.259 -9.187 5.660 775 HA SER 99 HA SER 99 -4.647 -7.669 3.322 776 HB2 SER 99 HB2 SER 99 -5.760 -9.773 2.283 777 HB3 SER 99 HB3 SER 99 -4.249 -9.920 3.178 778 HG SER 99 HG SER 99 -6.852 -10.463 4.177 779 H ILE 100 HN ILE 100 -5.802 -6.154 2.383 780 HA ILE 100 HA ILE 100 -8.756 -6.166 2.506 781 HB ILE 100 HB ILE 100 -8.577 -3.671 2.767 782 HG12 ILE 100 HG12 ILE 100 -5.802 -4.019 3.935 783 HG13 ILE 100 HG13 ILE 100 -5.953 -3.769 2.207 784 HG21 ILE 100 HG21 ILE 100 -8.503 -3.765 5.152 785 HG22 ILE 100 HG22 ILE 100 -9.120 -5.335 4.623 786 HG23 ILE 100 HG23 ILE 100 -7.423 -5.152 5.160 787 HD11 ILE 100 HD11 ILE 100 -7.233 -1.721 2.536 788 HD12 ILE 100 HD12 ILE 100 -7.143 -1.938 4.298 789 HD13 ILE 100 HD13 ILE 100 -5.657 -1.635 3.360 790 H ASP 101 HN ASP 101 -9.603 -4.380 0.945 791 HA ASP 101 HA ASP 101 -8.256 -4.720 -1.686 792 HB2 ASP 101 HB2 ASP 101 -11.036 -4.515 -0.850 793 HB3 ASP 101 HB3 ASP 101 -10.705 -3.314 -2.045 794 H ALA 102 HN ALA 102 -8.365 -2.907 -3.028 795 HA ALA 102 HA ALA 102 -7.074 -0.537 -1.925 796 HB1 ALA 102 HB1 ALA 102 -7.727 0.152 -4.512 797 HB2 ALA 102 HB2 ALA 102 -6.306 -0.784 -4.017 798 HB3 ALA 102 HB3 ALA 102 -7.734 -1.622 -4.604 799 H ALA 103 HN ALA 103 -10.391 -1.331 -2.786 800 HA ALA 103 HA ALA 103 -11.435 1.329 -2.969 801 HB1 ALA 103 HB1 ALA 103 -12.582 -0.799 -3.675 802 HB2 ALA 103 HB2 ALA 103 -12.752 -1.215 -1.947 803 HB3 ALA 103 HB3 ALA 103 -13.600 0.206 -2.606 804 H GLN 104 HN GLN 104 -10.361 -0.545 -0.210 805 HA GLN 104 HA GLN 104 -11.920 1.145 1.650 806 HB2 GLN 104 HB2 GLN 104 -10.186 -1.310 2.152 807 HB3 GLN 104 HB3 GLN 104 -11.080 -0.396 3.390 808 HG2 GLN 104 HG2 GLN 104 -13.062 -0.850 1.533 809 HG3 GLN 104 HG3 GLN 104 -12.075 -2.290 1.316 810 HE21 GLN 104 HE21 GLN 104 -11.654 -3.563 3.460 811 HE22 GLN 104 HE22 GLN 104 -12.975 -3.535 4.635 812 H VAL 105 HN VAL 105 -9.422 1.720 -0.126 813 HA VAL 105 HA VAL 105 -7.889 3.152 1.982 814 HB VAL 105 HB VAL 105 -6.758 2.169 -0.661 815 HG11 VAL 105 HG11 VAL 105 -5.483 2.807 2.016 816 HG12 VAL 105 HG12 VAL 105 -4.652 2.309 0.525 817 HG13 VAL 105 HG13 VAL 105 -5.523 3.864 0.590 818 HG21 VAL 105 HG21 VAL 105 -7.075 0.507 1.831 819 HG22 VAL 105 HG22 VAL 105 -7.445 0.104 0.176 820 HG23 VAL 105 HG23 VAL 105 -5.758 0.223 0.681 821 H THR 106 HN THR 106 -8.931 3.079 -1.478 822 HA THR 106 HA THR 106 -8.314 5.881 -1.838 823 HB THR 106 HB THR 106 -8.945 5.509 -4.149 824 HG1 THR 106 HG1 THR 106 -10.571 4.072 -3.952 825 HG21 THR 106 HG21 THR 106 -7.123 4.299 -4.863 826 HG22 THR 106 HG22 THR 106 -7.276 3.071 -3.586 827 HG23 THR 106 HG23 THR 106 -6.634 4.684 -3.210 828 H GLU 107 HN GLU 107 -10.568 5.115 0.106 829 HA GLU 107 HA GLU 107 -12.494 7.078 -0.999 830 HB2 GLU 107 HB2 GLU 107 -13.132 4.378 0.298 831 HB3 GLU 107 HB3 GLU 107 -14.274 5.721 0.107 832 HG2 GLU 107 HG2 GLU 107 -13.636 5.677 -2.406 833 HG3 GLU 107 HG3 GLU 107 -12.840 4.148 -2.082 834 H ILE 108 HN ILE 108 -10.130 6.872 1.087 835 HA ILE 108 HA ILE 108 -11.600 8.181 3.327 836 HB ILE 108 HB ILE 108 -8.750 7.179 3.455 837 HG12 ILE 108 HG12 ILE 108 -11.237 5.526 4.072 838 HG13 ILE 108 HG13 ILE 108 -10.046 5.178 2.800 839 HG21 ILE 108 HG21 ILE 108 -9.662 8.709 5.228 840 HG22 ILE 108 HG22 ILE 108 -10.908 7.508 5.600 841 HG23 ILE 108 HG23 ILE 108 -9.159 7.174 5.866 842 HD11 ILE 108 HD11 ILE 108 -8.315 5.099 4.701 843 HD12 ILE 108 HD12 ILE 108 -9.702 4.947 5.797 844 HD13 ILE 108 HD13 ILE 108 -9.429 3.723 4.542 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -14.998 -4.951 -4.678 2 HA2 GLY 1 HA2 GLY 1 -14.448 -5.680 -1.862 3 HA3 GLY 1 HA1 GLY 1 -15.170 -4.151 -2.395 4 H MET 2 HN MET 2 -17.367 -4.089 -2.955 5 HA MET 2 HA MET 2 -19.525 -4.551 -2.623 6 HB2 MET 2 HB2 MET 2 -18.893 -7.375 -3.547 7 HB3 MET 2 HB3 MET 2 -20.445 -6.540 -3.584 8 HG2 MET 2 HG2 MET 2 -19.276 -4.790 -5.098 9 HG3 MET 2 HG3 MET 2 -17.964 -5.966 -5.238 10 HE1 MET 2 HE1 MET 2 -21.397 -4.803 -6.666 11 HE2 MET 2 HE2 MET 2 -22.277 -6.343 -6.737 12 HE3 MET 2 HE3 MET 2 -21.752 -5.695 -5.179 13 H GLY 3 HN GLY 3 -17.543 -5.217 -0.346 14 HA2 GLY 3 HA2 GLY 3 -19.285 -7.039 1.273 15 HA3 GLY 3 HA1 GLY 3 -17.559 -7.327 1.067 16 H THR 4 HN THR 4 -16.108 -6.158 2.306 17 HA THR 4 HA THR 4 -17.146 -5.217 4.748 18 HB THR 4 HB THR 4 -14.810 -5.179 5.364 19 HG1 THR 4 HG1 THR 4 -14.316 -4.676 2.984 20 HG21 THR 4 HG21 THR 4 -16.030 -7.345 5.382 21 HG22 THR 4 HG22 THR 4 -14.315 -7.602 5.009 22 HG23 THR 4 HG23 THR 4 -15.518 -7.667 3.717 23 H THR 5 HN THR 5 -18.118 -3.448 4.564 24 HA THR 5 HA THR 5 -16.726 -0.995 3.596 25 HB THR 5 HB THR 5 -19.697 -1.254 3.773 26 HG1 THR 5 HG1 THR 5 -18.936 -2.985 2.489 27 HG21 THR 5 HG21 THR 5 -17.787 0.347 2.000 28 HG22 THR 5 HG22 THR 5 -18.781 0.989 3.318 29 HG23 THR 5 HG23 THR 5 -19.552 0.356 1.857 30 H GLU 6 HN GLU 6 -16.173 -2.069 6.096 31 HA GLU 6 HA GLU 6 -17.676 -0.543 8.118 32 HB2 GLU 6 HB2 GLU 6 -16.169 -1.530 9.742 33 HB3 GLU 6 HB3 GLU 6 -16.905 -2.753 8.727 34 HG2 GLU 6 HG2 GLU 6 -14.830 -2.985 7.426 35 HG3 GLU 6 HG3 GLU 6 -14.077 -1.693 8.377 36 H LYS 7 HN LYS 7 -15.555 0.365 9.745 37 HA LYS 7 HA LYS 7 -14.076 2.313 8.125 38 HB2 LYS 7 HB2 LYS 7 -14.867 4.208 9.373 39 HB3 LYS 7 HB3 LYS 7 -16.226 3.340 8.676 40 HG2 LYS 7 HG2 LYS 7 -16.307 2.163 11.088 41 HG3 LYS 7 HG3 LYS 7 -15.435 3.637 11.568 42 HD2 LYS 7 HD2 LYS 7 -17.269 4.969 10.431 43 HD3 LYS 7 HD3 LYS 7 -18.091 3.427 10.098 44 HE2 LYS 7 HE2 LYS 7 -18.051 3.000 12.608 45 HE3 LYS 7 HE3 LYS 7 -17.544 4.690 12.808 46 HZ1 LYS 7 HZ1 LYS 7 -19.589 5.309 11.603 47 HZ2 LYS 7 HZ2 LYS 7 -19.924 4.446 12.980 48 HZ3 LYS 7 HZ3 LYS 7 -20.007 3.702 11.525 49 H SER 8 HN SER 8 -12.390 3.384 9.430 50 HA SER 8 HA SER 8 -11.637 2.192 11.970 51 HB2 SER 8 HB2 SER 8 -11.039 0.492 10.161 52 HB3 SER 8 HB3 SER 8 -9.903 1.687 9.515 53 HG SER 8 HG SER 8 -9.640 -0.028 11.542 54 H GLY 9 HN GLY 9 -8.883 2.993 11.824 55 HA2 GLY 9 HA2 GLY 9 -9.121 5.940 11.399 56 HA3 GLY 9 HA1 GLY 9 -8.267 5.202 12.769 57 H ILE 10 HN ILE 10 -7.964 3.574 9.845 58 HA ILE 10 HA ILE 10 -5.258 3.362 9.895 59 HB ILE 10 HB ILE 10 -7.080 3.122 7.462 60 HG12 ILE 10 HG12 ILE 10 -6.151 0.821 9.215 61 HG13 ILE 10 HG13 ILE 10 -7.632 1.692 9.571 62 HG21 ILE 10 HG21 ILE 10 -4.749 3.112 6.719 63 HG22 ILE 10 HG22 ILE 10 -4.318 1.947 8.004 64 HG23 ILE 10 HG23 ILE 10 -5.333 1.462 6.644 65 HD11 ILE 10 HD11 ILE 10 -8.166 -0.290 8.326 66 HD12 ILE 10 HD12 ILE 10 -8.505 1.130 7.310 67 HD13 ILE 10 HD13 ILE 10 -7.054 0.141 7.022 68 H LYS 11 HN LYS 11 -3.528 4.645 9.316 69 HA LYS 11 HA LYS 11 -3.961 6.718 7.215 70 HB2 LYS 11 HB2 LYS 11 -2.122 7.072 9.583 71 HB3 LYS 11 HB3 LYS 11 -2.499 8.286 8.367 72 HG2 LYS 11 HG2 LYS 11 -4.454 7.186 10.401 73 HG3 LYS 11 HG3 LYS 11 -3.570 8.686 10.564 74 HD2 LYS 11 HD2 LYS 11 -4.696 9.668 8.658 75 HD3 LYS 11 HD3 LYS 11 -5.584 8.170 8.331 76 HE2 LYS 11 HE2 LYS 11 -6.909 8.331 10.247 77 HE3 LYS 11 HE3 LYS 11 -5.705 9.289 11.117 78 HZ1 LYS 11 HZ1 LYS 11 -7.522 10.264 9.014 79 HZ2 LYS 11 HZ2 LYS 11 -6.235 11.145 9.622 80 HZ3 LYS 11 HZ3 LYS 11 -7.512 10.681 10.572 81 H GLU 12 HN GLU 12 -2.693 3.931 7.351 82 HA GLU 12 HA GLU 12 -0.888 4.533 5.260 83 HB2 GLU 12 HB2 GLU 12 1.215 4.151 6.097 84 HB3 GLU 12 HB3 GLU 12 0.474 4.880 7.518 85 HG2 GLU 12 HG2 GLU 12 -0.010 2.339 8.083 86 HG3 GLU 12 HG3 GLU 12 1.375 2.106 7.006 87 H ILE 13 HN ILE 13 -0.102 2.445 4.269 88 HA ILE 13 HA ILE 13 -1.583 0.032 5.172 89 HB ILE 13 HB ILE 13 -2.172 -0.370 2.742 90 HG12 ILE 13 HG12 ILE 13 -2.109 2.560 2.155 91 HG13 ILE 13 HG13 ILE 13 -0.545 1.767 2.174 92 HG21 ILE 13 HG21 ILE 13 -3.537 2.051 3.992 93 HG22 ILE 13 HG22 ILE 13 -4.206 0.918 2.803 94 HG23 ILE 13 HG23 ILE 13 -3.842 0.362 4.429 95 HD11 ILE 13 HD11 ILE 13 -2.868 0.695 0.576 96 HD12 ILE 13 HD12 ILE 13 -1.606 1.769 -0.083 97 HD13 ILE 13 HD13 ILE 13 -1.176 0.162 0.541 98 H ILE 14 HN ILE 14 -0.726 -1.938 3.937 99 HA ILE 14 HA ILE 14 2.151 -1.627 3.294 100 HB ILE 14 HB ILE 14 0.965 -3.470 5.381 101 HG12 ILE 14 HG12 ILE 14 3.025 -1.280 5.634 102 HG13 ILE 14 HG13 ILE 14 1.346 -1.173 6.149 103 HG21 ILE 14 HG21 ILE 14 3.819 -3.390 4.317 104 HG22 ILE 14 HG22 ILE 14 3.218 -4.429 5.640 105 HG23 ILE 14 HG23 ILE 14 2.643 -4.698 4.016 106 HD11 ILE 14 HD11 ILE 14 1.686 -3.069 7.719 107 HD12 ILE 14 HD12 ILE 14 3.422 -3.006 7.340 108 HD13 ILE 14 HD13 ILE 14 2.623 -1.611 8.083 109 H ILE 15 HN ILE 15 1.953 -2.040 1.144 110 HA ILE 15 HA ILE 15 0.475 -4.232 0.020 111 HB ILE 15 HB ILE 15 3.022 -2.968 -1.070 112 HG12 ILE 15 HG12 ILE 15 1.668 -1.097 -1.054 113 HG13 ILE 15 HG13 ILE 15 1.338 -1.756 -2.637 114 HG21 ILE 15 HG21 ILE 15 2.556 -5.087 -2.134 115 HG22 ILE 15 HG22 ILE 15 0.856 -4.663 -2.358 116 HG23 ILE 15 HG23 ILE 15 2.125 -3.807 -3.266 117 HD11 ILE 15 HD11 ILE 15 -0.755 -1.067 -1.741 118 HD12 ILE 15 HD12 ILE 15 -0.775 -2.841 -1.595 119 HD13 ILE 15 HD13 ILE 15 -0.456 -1.844 -0.181 120 H GLN 16 HN GLN 16 0.754 -6.238 0.752 121 HA GLN 16 HA GLN 16 3.033 -7.120 2.024 122 HB2 GLN 16 HB2 GLN 16 0.649 -8.080 2.026 123 HB3 GLN 16 HB3 GLN 16 1.126 -8.934 0.542 124 HG2 GLN 16 HG2 GLN 16 2.462 -10.394 1.686 125 HG3 GLN 16 HG3 GLN 16 3.020 -9.165 2.803 126 HE21 GLN 16 HE21 GLN 16 2.857 -10.331 4.694 127 HE22 GLN 16 HE22 GLN 16 1.300 -10.714 5.361 128 H GLY 17 HN GLY 17 4.722 -8.613 1.379 129 HA2 GLY 17 HA2 GLY 17 5.416 -8.580 -1.511 130 HA3 GLY 17 HA1 GLY 17 6.474 -9.069 -0.199 131 H LEU 18 HN LEU 18 3.651 -10.674 0.537 132 HA LEU 18 HA LEU 18 4.121 -13.001 -1.117 133 HB2 LEU 18 HB2 LEU 18 2.062 -12.387 0.984 134 HB3 LEU 18 HB3 LEU 18 2.182 -13.889 0.194 135 HG LEU 18 HG LEU 18 4.699 -12.992 1.448 136 HD11 LEU 18 HD11 LEU 18 2.028 -13.540 2.946 137 HD12 LEU 18 HD12 LEU 18 3.099 -12.153 3.165 138 HD13 LEU 18 HD13 LEU 18 3.529 -13.768 3.784 139 HD21 LEU 18 HD21 LEU 18 3.681 -15.600 1.809 140 HD22 LEU 18 HD22 LEU 18 5.092 -14.819 2.437 141 HD23 LEU 18 HD23 LEU 18 4.902 -14.833 0.663 142 H THR 19 HN THR 19 2.245 -13.896 -2.059 143 HA THR 19 HA THR 19 0.710 -12.079 -3.781 144 HB THR 19 HB THR 19 0.001 -14.190 -4.878 145 HG1 THR 19 HG1 THR 19 0.902 -16.105 -4.180 146 HG21 THR 19 HG21 THR 19 2.030 -14.779 -5.907 147 HG22 THR 19 HG22 THR 19 3.004 -14.367 -4.498 148 HG23 THR 19 HG23 THR 19 2.234 -13.078 -5.472 149 H ARG 20 HN ARG 20 -1.689 -12.718 -4.152 150 HA ARG 20 HA ARG 20 -3.422 -12.818 -1.948 151 HB2 ARG 20 HB2 ARG 20 -5.089 -13.549 -3.514 152 HB3 ARG 20 HB3 ARG 20 -4.122 -12.214 -4.152 153 HG2 ARG 20 HG2 ARG 20 -2.800 -13.947 -5.481 154 HG3 ARG 20 HG3 ARG 20 -3.958 -15.182 -4.913 155 HD2 ARG 20 HD2 ARG 20 -5.818 -13.899 -5.895 156 HD3 ARG 20 HD3 ARG 20 -4.674 -12.608 -6.304 157 HE ARG 20 HE ARG 20 -3.938 -15.209 -7.422 158 HH11 ARG 20 HH11 ARG 20 -5.980 -12.361 -8.044 159 HH12 ARG 20 HH12 ARG 20 -5.958 -12.546 -9.740 160 HH21 ARG 20 HH21 ARG 20 -4.188 -15.644 -9.686 161 HH22 ARG 20 HH22 ARG 20 -4.961 -14.458 -10.685 162 H ALA 21 HN ALA 21 -1.505 -15.381 -3.266 163 HA ALA 21 HA ALA 21 -3.052 -17.560 -1.962 164 HB1 ALA 21 HB1 ALA 21 -1.302 -19.020 -2.861 165 HB2 ALA 21 HB2 ALA 21 -1.939 -17.970 -4.137 166 HB3 ALA 21 HB3 ALA 21 -0.363 -17.633 -3.350 167 H GLY 22 HN GLY 22 -0.864 -15.187 -1.008 168 HA2 GLY 22 HA2 GLY 22 0.278 -14.818 0.877 169 HA3 GLY 22 HA1 GLY 22 -0.214 -16.365 1.533 170 H LYS 23 HN LYS 23 1.755 -15.809 -1.513 171 HA LYS 23 HA LYS 23 4.012 -16.573 0.075 172 HB2 LYS 23 HB2 LYS 23 3.006 -17.837 -2.602 173 HB3 LYS 23 HB3 LYS 23 4.644 -18.054 -2.297 174 HG2 LYS 23 HG2 LYS 23 3.949 -20.035 -1.454 175 HG3 LYS 23 HG3 LYS 23 3.677 -19.144 0.007 176 HD2 LYS 23 HD2 LYS 23 1.347 -19.112 -0.272 177 HD3 LYS 23 HD3 LYS 23 1.431 -19.302 -2.021 178 HE2 LYS 23 HE2 LYS 23 0.571 -21.276 -1.222 179 HE3 LYS 23 HE3 LYS 23 2.217 -21.625 -1.783 180 HZ1 LYS 23 HZ1 LYS 23 1.603 -22.685 0.300 181 HZ2 LYS 23 HZ2 LYS 23 1.549 -21.220 1.065 182 HZ3 LYS 23 HZ3 LYS 23 2.973 -21.798 0.412 183 HA PRO 24 HA PRO 24 6.326 -13.706 -1.233 184 HB2 PRO 24 HB2 PRO 24 8.927 -14.503 -1.299 185 HB3 PRO 24 HB3 PRO 24 7.932 -14.454 0.196 186 HG2 PRO 24 HG2 PRO 24 8.461 -16.835 -1.619 187 HG3 PRO 24 HG3 PRO 24 8.636 -16.730 0.150 188 HD2 PRO 24 HD2 PRO 24 6.406 -17.758 -0.969 189 HD3 PRO 24 HD3 PRO 24 6.309 -16.702 0.474 190 H PHE 25 HN PHE 25 6.566 -12.561 -2.914 191 HA PHE 25 HA PHE 25 6.554 -13.838 -5.564 192 HB2 PHE 25 HB2 PHE 25 4.727 -12.510 -5.171 193 HB3 PHE 25 HB3 PHE 25 5.594 -11.359 -4.198 194 HD1 PHE 25 HD2 PHE 25 6.968 -9.548 -5.366 195 HD2 PHE 25 HD1 PHE 25 4.473 -12.307 -7.570 196 HE1 PHE 25 HE2 PHE 25 7.084 -8.069 -7.335 197 HE2 PHE 25 HE1 PHE 25 4.612 -10.832 -9.540 198 HZ PHE 25 HZ PHE 25 5.925 -8.714 -9.445 199 H ARG 26 HN ARG 26 8.182 -13.696 -6.947 200 HA ARG 26 HA ARG 26 10.547 -12.018 -6.425 201 HB2 ARG 26 HB2 ARG 26 9.984 -14.145 -8.501 202 HB3 ARG 26 HB3 ARG 26 11.219 -12.994 -8.797 203 HG2 ARG 26 HG2 ARG 26 11.313 -14.780 -6.354 204 HG3 ARG 26 HG3 ARG 26 11.983 -15.217 -7.931 205 HD2 ARG 26 HD2 ARG 26 13.362 -13.119 -7.893 206 HD3 ARG 26 HD3 ARG 26 12.793 -12.833 -6.234 207 HE ARG 26 HE ARG 26 14.013 -15.458 -6.744 208 HH11 ARG 26 HH11 ARG 26 14.852 -12.083 -6.121 209 HH12 ARG 26 HH12 ARG 26 16.299 -12.443 -5.268 210 HH21 ARG 26 HH21 ARG 26 15.955 -15.951 -5.510 211 HH22 ARG 26 HH22 ARG 26 16.801 -14.639 -4.741 212 HA PRO 27 HA PRO 27 11.990 -11.088 -7.952 213 HB2 PRO 27 HB2 PRO 27 12.648 -8.448 -8.180 214 HB3 PRO 27 HB3 PRO 27 12.619 -9.565 -9.599 215 HG2 PRO 27 HG2 PRO 27 10.481 -7.594 -8.719 216 HG3 PRO 27 HG3 PRO 27 11.066 -7.912 -10.374 217 HD2 PRO 27 HD2 PRO 27 8.769 -9.046 -9.383 218 HD3 PRO 27 HD3 PRO 27 9.836 -9.916 -10.526 219 H SER 28 HN SER 28 12.833 -10.610 -5.856 220 HA SER 28 HA SER 28 10.962 -9.334 -3.959 221 HB2 SER 28 HB2 SER 28 13.601 -10.777 -3.717 222 HB3 SER 28 HB3 SER 28 12.971 -9.702 -2.464 223 HG SER 28 HG SER 28 11.947 -12.166 -3.362 224 H ASP 29 HN ASP 29 13.535 -8.366 -6.064 225 HA ASP 29 HA ASP 29 14.365 -5.954 -4.811 226 HB2 ASP 29 HB2 ASP 29 14.412 -7.144 -7.541 227 HB3 ASP 29 HB3 ASP 29 14.395 -5.390 -7.505 228 H TRP 30 HN TRP 30 11.185 -6.784 -5.833 229 HA TRP 30 HA TRP 30 10.294 -4.540 -7.170 230 HB2 TRP 30 HB2 TRP 30 8.121 -5.234 -6.699 231 HB3 TRP 30 HB3 TRP 30 9.048 -6.689 -6.770 232 HD1 TRP 30 HD1 TRP 30 8.879 -8.254 -4.623 233 HE1 TRP 30 HE1 TRP 30 7.459 -8.248 -2.549 234 HE3 TRP 30 HE3 TRP 30 7.235 -3.421 -4.848 235 HZ2 TRP 30 HZ2 TRP 30 5.557 -6.373 -1.199 236 HZ3 TRP 30 HZ3 TRP 30 5.565 -2.595 -3.214 237 HH2 TRP 30 HH2 TRP 30 4.779 -4.080 -1.386 238 H VAL 31 HN VAL 31 10.735 -4.920 -3.700 239 HA VAL 31 HA VAL 31 9.362 -2.636 -2.759 240 HB VAL 31 HB VAL 31 11.630 -4.402 -1.785 241 HG11 VAL 31 HG11 VAL 31 11.512 -3.580 0.446 242 HG12 VAL 31 HG12 VAL 31 11.952 -2.238 -0.604 243 HG13 VAL 31 HG13 VAL 31 10.298 -2.367 0.034 244 HG21 VAL 31 HG21 VAL 31 9.520 -5.517 -1.897 245 HG22 VAL 31 HG22 VAL 31 9.742 -5.096 -0.195 246 HG23 VAL 31 HG23 VAL 31 8.653 -4.136 -1.183 247 H ASP 32 HN ASP 32 12.842 -3.045 -3.691 248 HA ASP 32 HA ASP 32 13.298 -0.220 -3.131 249 HB2 ASP 32 HB2 ASP 32 14.995 -2.482 -4.109 250 HB3 ASP 32 HB3 ASP 32 15.577 -0.820 -4.175 251 H ARG 33 HN ARG 33 12.341 -2.096 -5.869 252 HA ARG 33 HA ARG 33 13.038 -0.071 -7.867 253 HB2 ARG 33 HB2 ARG 33 11.079 -2.412 -7.875 254 HB3 ARG 33 HB3 ARG 33 11.168 -1.229 -9.175 255 HG2 ARG 33 HG2 ARG 33 13.686 -1.764 -9.310 256 HG3 ARG 33 HG3 ARG 33 13.340 -3.170 -8.313 257 HD2 ARG 33 HD2 ARG 33 12.259 -4.296 -9.976 258 HD3 ARG 33 HD3 ARG 33 11.483 -2.841 -10.609 259 HE ARG 33 HE ARG 33 14.374 -3.419 -11.114 260 HH11 ARG 33 HH11 ARG 33 11.176 -2.478 -12.476 261 HH12 ARG 33 HH12 ARG 33 11.768 -2.465 -14.079 262 HH21 ARG 33 HH21 ARG 33 15.118 -3.096 -13.209 263 HH22 ARG 33 HH22 ARG 33 14.038 -2.432 -14.421 264 H MET 34 HN MET 34 10.124 -0.852 -5.897 265 HA MET 34 HA MET 34 8.458 1.163 -7.027 266 HB2 MET 34 HB2 MET 34 8.451 -0.587 -4.622 267 HB3 MET 34 HB3 MET 34 7.529 0.918 -4.474 268 HG2 MET 34 HG2 MET 34 7.130 -0.625 -7.009 269 HG3 MET 34 HG3 MET 34 6.483 -1.318 -5.524 270 HE1 MET 34 HE1 MET 34 5.563 0.057 -3.771 271 HE2 MET 34 HE2 MET 34 4.316 1.320 -3.941 272 HE3 MET 34 HE3 MET 34 3.995 -0.360 -4.458 273 H CYS 35 HN CYS 35 10.577 1.304 -4.057 274 HA CYS 35 HA CYS 35 9.780 3.991 -3.551 275 HB2 CYS 35 HB2 CYS 35 11.604 4.108 -2.000 276 HB3 CYS 35 HB3 CYS 35 10.803 2.529 -1.846 277 HG CYS 35 HG CYS 35 13.697 3.422 -3.041 278 H SER 36 HN SER 36 12.253 2.799 -5.748 279 HA SER 36 HA SER 36 13.524 5.388 -6.109 280 HB2 SER 36 HB2 SER 36 14.914 4.278 -7.633 281 HB3 SER 36 HB3 SER 36 14.473 3.079 -6.401 282 HG SER 36 HG SER 36 14.459 2.294 -8.536 283 H THR 37 HN THR 37 11.309 3.440 -7.858 284 HA THR 37 HA THR 37 10.643 5.204 -10.019 285 HB THR 37 HB THR 37 8.803 3.199 -8.636 286 HG1 THR 37 HG1 THR 37 10.678 2.238 -9.207 287 HG21 THR 37 HG21 THR 37 7.490 4.456 -10.181 288 HG22 THR 37 HG22 THR 37 7.878 2.932 -10.979 289 HG23 THR 37 HG23 THR 37 8.759 4.401 -11.436 290 H TYR 38 HN TYR 38 9.672 5.267 -6.657 291 HA TYR 38 HA TYR 38 8.107 7.770 -7.042 292 HB2 TYR 38 HB2 TYR 38 8.097 5.654 -4.907 293 HB3 TYR 38 HB3 TYR 38 7.345 7.227 -4.695 294 HD1 TYR 38 HD2 TYR 38 7.238 4.310 -7.129 295 HD2 TYR 38 HD1 TYR 38 5.059 7.420 -5.078 296 HE1 TYR 38 HE2 TYR 38 5.179 3.468 -8.103 297 HE2 TYR 38 HE1 TYR 38 2.943 6.471 -5.956 298 HH TYR 38 HH TYR 38 2.820 3.630 -8.118 299 H ALA 39 HN ALA 39 10.807 7.983 -7.426 300 HA ALA 39 HA ALA 39 11.582 9.714 -5.176 301 HB1 ALA 39 HB1 ALA 39 13.907 8.931 -5.312 302 HB2 ALA 39 HB2 ALA 39 12.861 7.529 -5.007 303 HB3 ALA 39 HB3 ALA 39 13.519 7.837 -6.623 304 H SER 40 HN SER 40 13.343 11.200 -5.942 305 HA SER 40 HA SER 40 13.903 11.192 -8.795 306 HB2 SER 40 HB2 SER 40 12.859 13.732 -7.452 307 HB3 SER 40 HB3 SER 40 13.421 13.572 -9.124 308 HG SER 40 HG SER 40 11.325 13.318 -9.411 309 H PHE 41 HN PHE 41 15.745 12.277 -9.260 310 HA PHE 41 HA PHE 41 17.904 12.439 -7.494 311 HB2 PHE 41 HB2 PHE 41 17.391 13.569 -10.176 312 HB3 PHE 41 HB3 PHE 41 18.822 14.013 -9.215 313 HD1 PHE 41 HD2 PHE 41 17.123 10.598 -9.533 314 HD2 PHE 41 HD1 PHE 41 20.644 12.980 -10.296 315 HE1 PHE 41 HE2 PHE 41 18.363 8.579 -10.101 316 HE2 PHE 41 HE1 PHE 41 21.912 10.905 -10.742 317 HZ PHE 41 HZ PHE 41 20.787 8.709 -10.707 318 H GLY 42 HN GLY 42 18.450 13.595 -6.009 319 HA2 GLY 42 HA2 GLY 42 17.325 16.213 -5.339 320 HA3 GLY 42 HA1 GLY 42 18.469 15.187 -4.435 321 H ALA 43 HN ALA 43 19.292 17.514 -4.245 322 HA ALA 43 HA ALA 43 20.410 18.885 -6.408 323 HB1 ALA 43 HB1 ALA 43 21.578 20.211 -4.719 324 HB2 ALA 43 HB2 ALA 43 19.922 19.879 -4.187 325 HB3 ALA 43 HB3 ALA 43 21.290 18.970 -3.490 326 H ASP 44 HN ASP 44 21.853 16.221 -4.549 327 HA ASP 44 HA ASP 44 24.541 16.809 -5.573 328 HB2 ASP 44 HB2 ASP 44 23.739 15.705 -3.262 329 HB3 ASP 44 HB3 ASP 44 23.919 14.222 -4.208 330 H ARG 45 HN ARG 45 22.034 15.793 -7.179 331 HA ARG 45 HA ARG 45 21.406 14.383 -8.752 332 HB2 ARG 45 HB2 ARG 45 24.263 14.190 -9.691 333 HB3 ARG 45 HB3 ARG 45 22.812 13.827 -10.587 334 HG2 ARG 45 HG2 ARG 45 23.004 15.920 -11.400 335 HG3 ARG 45 HG3 ARG 45 22.182 16.396 -9.915 336 HD2 ARG 45 HD2 ARG 45 24.142 17.809 -10.230 337 HD3 ARG 45 HD3 ARG 45 24.375 16.792 -8.823 338 HE ARG 45 HE ARG 45 26.111 15.720 -9.853 339 HH11 ARG 45 HH11 ARG 45 24.507 17.746 -12.346 340 HH12 ARG 45 HH12 ARG 45 25.377 16.993 -13.658 341 HH21 ARG 45 HH21 ARG 45 27.226 14.744 -11.701 342 HH22 ARG 45 HH22 ARG 45 26.974 15.458 -13.271 343 H LYS 46 HN LYS 46 21.267 13.205 -6.554 344 HA LYS 46 HA LYS 46 21.823 10.354 -7.106 345 HB2 LYS 46 HB2 LYS 46 23.207 11.644 -5.102 346 HB3 LYS 46 HB3 LYS 46 21.663 11.459 -4.289 347 HG2 LYS 46 HG2 LYS 46 22.849 9.591 -3.595 348 HG3 LYS 46 HG3 LYS 46 21.845 8.950 -4.902 349 HD2 LYS 46 HD2 LYS 46 23.793 9.106 -6.459 350 HD3 LYS 46 HD3 LYS 46 24.743 9.865 -5.187 351 HE2 LYS 46 HE2 LYS 46 25.446 7.615 -5.246 352 HE3 LYS 46 HE3 LYS 46 24.490 7.809 -3.779 353 HZ1 LYS 46 HZ1 LYS 46 24.026 5.759 -5.100 354 HZ2 LYS 46 HZ2 LYS 46 23.487 6.668 -6.316 355 HZ3 LYS 46 HZ3 LYS 46 22.655 6.686 -4.897 356 H LEU 47 HN LEU 47 19.823 9.289 -7.080 357 HA LEU 47 HA LEU 47 17.428 10.836 -6.623 358 HB2 LEU 47 HB2 LEU 47 16.143 8.941 -6.958 359 HB3 LEU 47 HB3 LEU 47 17.459 8.836 -8.072 360 HG LEU 47 HG LEU 47 18.645 7.346 -6.304 361 HD11 LEU 47 HD11 LEU 47 15.681 7.036 -5.737 362 HD12 LEU 47 HD12 LEU 47 16.864 7.638 -4.563 363 HD13 LEU 47 HD13 LEU 47 17.054 6.007 -5.119 364 HD21 LEU 47 HD21 LEU 47 16.269 6.545 -8.031 365 HD22 LEU 47 HD22 LEU 47 17.470 5.398 -7.365 366 HD23 LEU 47 HD23 LEU 47 17.976 6.631 -8.532 367 H ARG 48 HN ARG 48 15.864 10.516 -5.045 368 HA ARG 48 HA ARG 48 16.866 9.594 -2.429 369 HB2 ARG 48 HB2 ARG 48 16.818 12.323 -3.180 370 HB3 ARG 48 HB3 ARG 48 15.348 12.139 -2.240 371 HG2 ARG 48 HG2 ARG 48 18.153 11.347 -1.365 372 HG3 ARG 48 HG3 ARG 48 17.274 12.797 -0.854 373 HD2 ARG 48 HD2 ARG 48 15.546 11.412 0.240 374 HD3 ARG 48 HD3 ARG 48 16.328 9.940 -0.334 375 HE ARG 48 HE ARG 48 18.064 10.140 1.088 376 HH11 ARG 48 HH11 ARG 48 15.564 12.541 1.780 377 HH12 ARG 48 HH12 ARG 48 16.193 13.052 3.295 378 HH21 ARG 48 HH21 ARG 48 19.134 10.967 2.894 379 HH22 ARG 48 HH22 ARG 48 18.431 12.121 3.955 380 H TYR 49 HN TYR 49 15.432 8.053 -1.805 381 HA TYR 49 HA TYR 49 12.863 7.690 -2.948 382 HB2 TYR 49 HB2 TYR 49 13.886 6.771 -0.242 383 HB3 TYR 49 HB3 TYR 49 12.511 6.103 -1.103 384 HD1 TYR 49 HD2 TYR 49 14.014 6.121 -3.936 385 HD2 TYR 49 HD1 TYR 49 15.026 4.654 -0.023 386 HE1 TYR 49 HE2 TYR 49 15.559 4.555 -4.973 387 HE2 TYR 49 HE1 TYR 49 16.555 2.997 -1.050 388 HH TYR 49 HH TYR 49 16.716 2.358 -4.464 389 H SER 50 HN SER 50 10.777 8.248 -2.369 390 HA SER 50 HA SER 50 10.244 10.599 -0.862 391 HB2 SER 50 HB2 SER 50 8.460 8.203 -1.498 392 HB3 SER 50 HB3 SER 50 7.891 9.762 -0.886 393 HG SER 50 HG SER 50 9.033 9.138 -3.399 394 HA PRO 51 HA PRO 51 10.252 9.008 3.339 395 HB2 PRO 51 HB2 PRO 51 8.415 10.619 4.588 396 HB3 PRO 51 HB3 PRO 51 10.031 11.187 4.080 397 HG2 PRO 51 HG2 PRO 51 7.385 11.535 2.638 398 HG3 PRO 51 HG3 PRO 51 8.668 12.755 2.916 399 HD2 PRO 51 HD2 PRO 51 8.428 11.399 0.567 400 HD3 PRO 51 HD3 PRO 51 10.016 11.892 1.227 401 H TYR 52 HN TYR 52 7.220 9.330 1.510 402 HA TYR 52 HA TYR 52 5.584 7.928 3.345 403 HB2 TYR 52 HB2 TYR 52 5.150 8.494 0.382 404 HB3 TYR 52 HB3 TYR 52 3.904 8.110 1.545 405 HD1 TYR 52 HD1 TYR 52 4.306 9.777 3.869 406 HD2 TYR 52 HD2 TYR 52 4.966 10.756 -0.288 407 HE1 TYR 52 HE1 TYR 52 4.053 12.109 4.395 408 HE2 TYR 52 HE2 TYR 52 4.802 13.163 0.274 409 HH TYR 52 HH TYR 52 4.463 14.314 3.659 410 H LEU 53 HN LEU 53 8.050 6.401 1.982 411 HA LEU 53 HA LEU 53 6.564 3.970 1.211 412 HB2 LEU 53 HB2 LEU 53 7.710 5.971 -0.556 413 HB3 LEU 53 HB3 LEU 53 8.565 4.444 -0.775 414 HG LEU 53 HG LEU 53 5.527 4.778 -0.949 415 HD11 LEU 53 HD11 LEU 53 7.694 4.476 -3.067 416 HD12 LEU 53 HD12 LEU 53 6.695 5.919 -2.769 417 HD13 LEU 53 HD13 LEU 53 5.963 4.438 -3.403 418 HD21 LEU 53 HD21 LEU 53 6.084 2.472 -0.352 419 HD22 LEU 53 HD22 LEU 53 7.371 2.434 -1.578 420 HD23 LEU 53 HD23 LEU 53 5.659 2.518 -2.059 421 H LYS 54 HN LYS 54 7.470 2.792 2.940 422 HA LYS 54 HA LYS 54 10.435 2.546 2.885 423 HB2 LYS 54 HB2 LYS 54 8.705 2.860 5.365 424 HB3 LYS 54 HB3 LYS 54 10.421 2.514 5.412 425 HG2 LYS 54 HG2 LYS 54 9.329 5.059 4.132 426 HG3 LYS 54 HG3 LYS 54 9.623 4.920 5.852 427 HD2 LYS 54 HD2 LYS 54 11.422 6.072 4.575 428 HD3 LYS 54 HD3 LYS 54 11.954 4.747 5.618 429 HE2 LYS 54 HE2 LYS 54 12.132 3.242 3.715 430 HE3 LYS 54 HE3 LYS 54 11.486 4.486 2.630 431 HZ1 LYS 54 HZ1 LYS 54 13.867 4.187 2.565 432 HZ2 LYS 54 HZ2 LYS 54 13.998 4.793 4.117 433 HZ3 LYS 54 HZ3 LYS 54 13.404 5.745 2.900 434 HA PRO 55 HA PRO 55 9.581 -1.749 2.843 435 HB2 PRO 55 HB2 PRO 55 11.911 -2.845 3.756 436 HB3 PRO 55 HB3 PRO 55 11.821 -1.967 2.200 437 HG2 PRO 55 HG2 PRO 55 12.668 -0.838 4.892 438 HG3 PRO 55 HG3 PRO 55 13.566 -0.771 3.344 439 HD2 PRO 55 HD2 PRO 55 12.004 1.287 4.131 440 HD3 PRO 55 HD3 PRO 55 11.996 0.784 2.413 441 H ARG 56 HN ARG 56 9.462 -3.727 4.338 442 HA ARG 56 HA ARG 56 9.706 -3.127 7.177 443 HB2 ARG 56 HB2 ARG 56 7.085 -3.417 5.816 444 HB3 ARG 56 HB3 ARG 56 7.292 -4.564 7.142 445 HG2 ARG 56 HG2 ARG 56 8.116 -2.689 8.597 446 HG3 ARG 56 HG3 ARG 56 7.731 -1.550 7.293 447 HD2 ARG 56 HD2 ARG 56 5.395 -2.087 7.435 448 HD3 ARG 56 HD3 ARG 56 5.723 -3.398 8.615 449 HE ARG 56 HE ARG 56 6.738 -0.759 9.346 450 HH11 ARG 56 HH11 ARG 56 4.030 -3.026 9.741 451 HH12 ARG 56 HH12 ARG 56 3.431 -2.352 11.167 452 HH21 ARG 56 HH21 ARG 56 5.898 0.321 11.038 453 HH22 ARG 56 HH22 ARG 56 4.545 -0.204 11.957 454 H VAL 57 HN VAL 57 8.870 -5.415 8.307 455 HA VAL 57 HA VAL 57 9.653 -7.709 6.807 456 HB VAL 57 HB VAL 57 11.281 -7.144 9.333 457 HG11 VAL 57 HG11 VAL 57 12.416 -9.289 8.712 458 HG12 VAL 57 HG12 VAL 57 10.707 -9.534 9.083 459 HG13 VAL 57 HG13 VAL 57 11.251 -9.500 7.390 460 HG21 VAL 57 HG21 VAL 57 13.275 -7.329 7.797 461 HG22 VAL 57 HG22 VAL 57 12.144 -7.232 6.432 462 HG23 VAL 57 HG23 VAL 57 12.315 -5.871 7.552 463 H ILE 58 HN ILE 58 7.632 -8.318 7.073 464 HA ILE 58 HA ILE 58 6.539 -9.009 9.750 465 HB ILE 58 HB ILE 58 4.996 -8.526 7.135 466 HG12 ILE 58 HG12 ILE 58 5.296 -6.771 9.615 467 HG13 ILE 58 HG13 ILE 58 5.835 -6.398 7.979 468 HG21 ILE 58 HG21 ILE 58 4.003 -10.248 8.565 469 HG22 ILE 58 HG22 ILE 58 3.943 -9.101 9.918 470 HG23 ILE 58 HG23 ILE 58 2.988 -8.828 8.450 471 HD11 ILE 58 HD11 ILE 58 2.962 -6.589 8.931 472 HD12 ILE 58 HD12 ILE 58 3.842 -5.152 8.392 473 HD13 ILE 58 HD13 ILE 58 3.443 -6.432 7.221 474 H GLU 59 HN GLU 59 6.506 -11.150 10.044 475 HA GLU 59 HA GLU 59 6.914 -13.387 9.738 476 HB2 GLU 59 HB2 GLU 59 5.176 -12.948 7.285 477 HB3 GLU 59 HB3 GLU 59 5.634 -14.520 7.962 478 HG2 GLU 59 HG2 GLU 59 4.613 -13.835 10.154 479 HG3 GLU 59 HG3 GLU 59 4.044 -12.365 9.391 480 H GLY 60 HN GLY 60 8.957 -11.566 8.676 481 HA2 GLY 60 HA2 GLY 60 10.995 -11.807 7.628 482 HA3 GLY 60 HA1 GLY 60 10.577 -13.482 7.259 483 H VAL 61 HN VAL 61 8.105 -11.582 6.025 484 HA VAL 61 HA VAL 61 9.014 -11.670 3.267 485 HB VAL 61 HB VAL 61 6.487 -10.503 4.497 486 HG11 VAL 61 HG11 VAL 61 6.988 -11.347 1.618 487 HG12 VAL 61 HG12 VAL 61 5.425 -10.864 2.311 488 HG13 VAL 61 HG13 VAL 61 6.736 -9.679 2.203 489 HG21 VAL 61 HG21 VAL 61 5.436 -12.622 3.781 490 HG22 VAL 61 HG22 VAL 61 7.032 -13.256 3.351 491 HG23 VAL 61 HG23 VAL 61 6.619 -12.859 5.037 492 H ARG 62 HN ARG 62 8.959 -9.519 2.011 493 HA ARG 62 HA ARG 62 10.443 -7.414 3.455 494 HB2 ARG 62 HB2 ARG 62 9.720 -7.677 0.490 495 HB3 ARG 62 HB3 ARG 62 10.590 -6.356 1.254 496 HG2 ARG 62 HG2 ARG 62 12.342 -7.434 0.441 497 HG3 ARG 62 HG3 ARG 62 12.300 -8.178 2.027 498 HD2 ARG 62 HD2 ARG 62 11.003 -9.435 -0.440 499 HD3 ARG 62 HD3 ARG 62 12.716 -9.637 -0.068 500 HE ARG 62 HE ARG 62 11.764 -10.428 2.238 501 HH11 ARG 62 HH11 ARG 62 10.989 -11.501 -1.075 502 HH12 ARG 62 HH12 ARG 62 10.674 -13.090 -0.577 503 HH21 ARG 62 HH21 ARG 62 11.203 -12.556 2.840 504 HH22 ARG 62 HH22 ARG 62 10.430 -13.652 1.771 505 H CYS 63 HN CYS 63 7.782 -7.127 1.081 506 HA CYS 63 HA CYS 63 5.888 -5.891 1.028 507 HB2 CYS 63 HB2 CYS 63 6.080 -5.407 4.024 508 HB3 CYS 63 HB3 CYS 63 4.685 -5.181 2.978 509 HG CYS 63 HG CYS 63 4.217 -7.174 4.472 510 H LEU 64 HN LEU 64 5.089 -3.552 1.537 511 HA LEU 64 HA LEU 64 7.284 -1.630 1.955 512 HB2 LEU 64 HB2 LEU 64 6.311 -2.391 -0.627 513 HB3 LEU 64 HB3 LEU 64 5.605 -0.811 -0.294 514 HG LEU 64 HG LEU 64 8.484 -1.660 -0.520 515 HD11 LEU 64 HD11 LEU 64 8.508 0.064 -2.297 516 HD12 LEU 64 HD12 LEU 64 6.763 0.283 -2.036 517 HD13 LEU 64 HD13 LEU 64 7.397 -1.278 -2.593 518 HD21 LEU 64 HD21 LEU 64 7.467 0.933 0.655 519 HD22 LEU 64 HD22 LEU 64 9.035 0.839 -0.200 520 HD23 LEU 64 HD23 LEU 64 8.752 -0.154 1.215 521 H ALA 65 HN ALA 65 6.489 -0.154 3.371 522 HA ALA 65 HA ALA 65 3.653 0.160 3.978 523 HB1 ALA 65 HB1 ALA 65 5.479 0.398 5.678 524 HB2 ALA 65 HB2 ALA 65 6.123 1.779 4.771 525 HB3 ALA 65 HB3 ALA 65 4.511 1.885 5.508 526 H VAL 66 HN VAL 66 2.408 1.975 3.259 527 HA VAL 66 HA VAL 66 3.545 3.946 1.309 528 HB VAL 66 HB VAL 66 1.030 2.418 0.926 529 HG11 VAL 66 HG11 VAL 66 0.716 3.846 -1.030 530 HG12 VAL 66 HG12 VAL 66 0.767 4.854 0.421 531 HG13 VAL 66 HG13 VAL 66 2.183 4.781 -0.627 532 HG21 VAL 66 HG21 VAL 66 3.355 1.435 0.193 533 HG22 VAL 66 HG22 VAL 66 2.033 1.566 -0.940 534 HG23 VAL 66 HG23 VAL 66 3.378 2.759 -0.968 535 H ASP 67 HN ASP 67 3.285 5.778 2.769 536 HA ASP 67 HA ASP 67 1.310 5.883 4.946 537 HB2 ASP 67 HB2 ASP 67 3.591 6.845 5.099 538 HB3 ASP 67 HB3 ASP 67 3.205 7.945 3.785 539 H LEU 68 HN LEU 68 -0.703 6.785 4.858 540 HA LEU 68 HA LEU 68 -1.879 7.311 2.250 541 HB2 LEU 68 HB2 LEU 68 -2.831 7.023 5.031 542 HB3 LEU 68 HB3 LEU 68 -3.672 8.254 4.177 543 HG LEU 68 HG LEU 68 -3.356 5.461 3.040 544 HD11 LEU 68 HD11 LEU 68 -5.585 6.537 4.831 545 HD12 LEU 68 HD12 LEU 68 -4.414 5.272 5.250 546 HD13 LEU 68 HD13 LEU 68 -5.605 4.982 3.978 547 HD21 LEU 68 HD21 LEU 68 -5.378 6.095 1.747 548 HD22 LEU 68 HD22 LEU 68 -4.064 7.240 1.438 549 HD23 LEU 68 HD23 LEU 68 -5.398 7.686 2.521 550 H LYS 69 HN LYS 69 -0.232 9.314 4.561 551 HA LYS 69 HA LYS 69 -1.488 11.832 4.098 552 HB2 LYS 69 HB2 LYS 69 0.263 11.227 5.837 553 HB3 LYS 69 HB3 LYS 69 1.488 11.292 4.595 554 HG2 LYS 69 HG2 LYS 69 -0.396 13.610 5.161 555 HG3 LYS 69 HG3 LYS 69 0.992 13.326 6.207 556 HD2 LYS 69 HD2 LYS 69 2.560 13.824 4.651 557 HD3 LYS 69 HD3 LYS 69 1.615 13.347 3.273 558 HE2 LYS 69 HE2 LYS 69 1.519 15.954 4.754 559 HE3 LYS 69 HE3 LYS 69 1.869 15.587 3.061 560 HZ1 LYS 69 HZ1 LYS 69 -0.492 14.786 2.946 561 HZ2 LYS 69 HZ2 LYS 69 -0.344 16.422 3.075 562 HZ3 LYS 69 HZ3 LYS 69 -0.719 15.544 4.404 563 H LEU 70 HN LEU 70 0.665 9.892 2.070 564 HA LEU 70 HA LEU 70 1.538 11.800 0.206 565 HB2 LEU 70 HB2 LEU 70 2.383 9.584 0.153 566 HB3 LEU 70 HB3 LEU 70 0.786 8.892 0.001 567 HG LEU 70 HG LEU 70 0.586 9.885 -2.305 568 HD11 LEU 70 HD11 LEU 70 2.268 11.730 -2.067 569 HD12 LEU 70 HD12 LEU 70 2.600 10.669 -3.444 570 HD13 LEU 70 HD13 LEU 70 3.556 10.512 -1.966 571 HD21 LEU 70 HD21 LEU 70 1.279 7.559 -1.945 572 HD22 LEU 70 HD22 LEU 70 2.967 8.075 -1.802 573 HD23 LEU 70 HD23 LEU 70 2.106 8.258 -3.344 574 H LYS 71 HN LYS 71 -1.718 10.285 0.572 575 HA LYS 71 HA LYS 71 -2.596 10.865 -2.070 576 HB2 LYS 71 HB2 LYS 71 -3.564 9.215 -0.408 577 HB3 LYS 71 HB3 LYS 71 -4.238 10.566 0.477 578 HG2 LYS 71 HG2 LYS 71 -6.085 10.398 -0.742 579 HG3 LYS 71 HG3 LYS 71 -5.207 10.954 -2.154 580 HD2 LYS 71 HD2 LYS 71 -4.854 8.709 -2.925 581 HD3 LYS 71 HD3 LYS 71 -5.238 8.032 -1.330 582 HE2 LYS 71 HE2 LYS 71 -7.106 7.611 -2.752 583 HE3 LYS 71 HE3 LYS 71 -7.580 8.798 -1.529 584 HZ1 LYS 71 HZ1 LYS 71 -7.327 10.523 -3.220 585 HZ2 LYS 71 HZ2 LYS 71 -8.385 9.351 -3.679 586 HZ3 LYS 71 HZ3 LYS 71 -6.879 9.354 -4.337 587 H ASP 72 HN ASP 72 -2.587 12.871 0.826 588 HA ASP 72 HA ASP 72 -4.293 15.005 -0.063 589 HB2 ASP 72 HB2 ASP 72 -3.576 14.750 2.254 590 HB3 ASP 72 HB3 ASP 72 -1.903 14.861 1.789 591 H THR 73 HN THR 73 -0.868 14.350 -0.453 592 HA THR 73 HA THR 73 -0.419 16.989 -1.720 593 HB THR 73 HB THR 73 0.813 16.262 0.313 594 HG1 THR 73 HG1 THR 73 1.801 17.803 -0.667 595 HG21 THR 73 HG21 THR 73 1.236 13.929 -0.068 596 HG22 THR 73 HG22 THR 73 2.769 14.787 0.104 597 HG23 THR 73 HG23 THR 73 2.223 14.283 -1.507 598 H ASN 74 HN ASN 74 -0.541 13.640 -2.628 599 HA ASN 74 HA ASN 74 -0.437 14.252 -5.441 600 HB2 ASN 74 HB2 ASN 74 1.896 14.064 -5.273 601 HB3 ASN 74 HB3 ASN 74 1.803 12.676 -4.184 602 HD21 ASN 74 HD21 ASN 74 3.298 11.667 -5.786 603 HD22 ASN 74 HD22 ASN 74 2.637 10.966 -7.250 604 HA PRO 75 HA PRO 75 -3.279 10.871 -3.988 605 HB2 PRO 75 HB2 PRO 75 -5.355 11.427 -5.692 606 HB3 PRO 75 HB3 PRO 75 -5.112 12.264 -4.131 607 HG2 PRO 75 HG2 PRO 75 -4.277 13.203 -6.885 608 HG3 PRO 75 HG3 PRO 75 -5.137 14.110 -5.607 609 HD2 PRO 75 HD2 PRO 75 -2.455 14.330 -5.956 610 HD3 PRO 75 HD3 PRO 75 -3.160 14.338 -4.309 611 H GLU 76 HN GLU 76 -2.224 11.916 -7.213 612 HA GLU 76 HA GLU 76 -2.967 9.692 -8.782 613 HB2 GLU 76 HB2 GLU 76 -1.462 12.144 -8.985 614 HB3 GLU 76 HB3 GLU 76 -0.331 10.882 -9.439 615 HG2 GLU 76 HG2 GLU 76 -1.922 10.103 -11.178 616 HG3 GLU 76 HG3 GLU 76 -3.038 11.399 -10.710 617 H GLY 77 HN GLY 77 0.068 10.345 -6.999 618 HA2 GLY 77 HA2 GLY 77 1.401 7.933 -7.541 619 HA3 GLY 77 HA1 GLY 77 1.649 8.935 -6.097 620 H PHE 78 HN PHE 78 -0.659 8.726 -4.659 621 HA PHE 78 HA PHE 78 -0.395 6.111 -3.493 622 HB2 PHE 78 HB2 PHE 78 -1.132 8.218 -2.308 623 HB3 PHE 78 HB3 PHE 78 -2.672 8.104 -3.147 624 HD1 PHE 78 HD2 PHE 78 -4.152 6.030 -2.744 625 HD2 PHE 78 HD1 PHE 78 -0.632 6.874 -0.376 626 HE1 PHE 78 HE2 PHE 78 -4.854 4.343 -1.088 627 HE2 PHE 78 HE1 PHE 78 -1.361 5.180 1.283 628 HZ PHE 78 HZ PHE 78 -3.450 3.914 0.925 629 H ASN 79 HN ASN 79 -2.840 7.514 -5.676 630 HA ASN 79 HA ASN 79 -4.701 5.385 -5.751 631 HB2 ASN 79 HB2 ASN 79 -3.896 7.577 -7.685 632 HB3 ASN 79 HB3 ASN 79 -5.123 6.445 -8.118 633 HD21 ASN 79 HD21 ASN 79 -5.748 9.072 -8.083 634 HD22 ASN 79 HD22 ASN 79 -6.963 9.314 -6.863 635 H GLN 80 HN GLN 80 -1.875 6.082 -7.941 636 HA GLN 80 HA GLN 80 -2.104 3.627 -9.384 637 HB2 GLN 80 HB2 GLN 80 0.212 5.559 -8.916 638 HB3 GLN 80 HB3 GLN 80 0.316 4.119 -9.923 639 HG2 GLN 80 HG2 GLN 80 -1.936 5.239 -11.001 640 HG3 GLN 80 HG3 GLN 80 -1.069 6.699 -10.499 641 HE21 GLN 80 HE21 GLN 80 0.797 7.334 -11.799 642 HE22 GLN 80 HE22 GLN 80 1.383 6.299 -13.070 643 H LEU 81 HN LEU 81 -0.482 4.403 -6.284 644 HA LEU 81 HA LEU 81 1.053 2.047 -6.101 645 HB2 LEU 81 HB2 LEU 81 0.575 4.228 -4.429 646 HB3 LEU 81 HB3 LEU 81 -0.203 2.941 -3.551 647 HG LEU 81 HG LEU 81 2.237 3.126 -2.902 648 HD11 LEU 81 HD11 LEU 81 1.948 0.581 -4.396 649 HD12 LEU 81 HD12 LEU 81 0.969 0.953 -2.949 650 HD13 LEU 81 HD13 LEU 81 2.711 0.924 -2.814 651 HD21 LEU 81 HD21 LEU 81 3.959 3.291 -4.056 652 HD22 LEU 81 HD22 LEU 81 2.771 4.225 -4.938 653 HD23 LEU 81 HD23 LEU 81 3.202 2.610 -5.558 654 H MET 82 HN MET 82 -2.350 2.664 -5.312 655 HA MET 82 HA MET 82 -2.941 0.176 -4.140 656 HB2 MET 82 HB2 MET 82 -4.762 1.740 -6.033 657 HB3 MET 82 HB3 MET 82 -5.287 0.441 -4.998 658 HG2 MET 82 HG2 MET 82 -3.940 2.722 -3.596 659 HG3 MET 82 HG3 MET 82 -5.458 3.067 -4.412 660 HE1 MET 82 HE1 MET 82 -4.835 0.512 -0.664 661 HE2 MET 82 HE2 MET 82 -3.802 0.348 -2.099 662 HE3 MET 82 HE3 MET 82 -3.868 1.899 -1.231 663 H HIS 83 HN HIS 83 -2.990 1.079 -7.591 664 HA HIS 83 HA HIS 83 -3.887 -1.410 -8.525 665 HB2 HIS 83 HB2 HIS 83 -3.739 0.807 -9.797 666 HB3 HIS 83 HB3 HIS 83 -2.039 0.453 -10.060 667 HD1 HIS 83 HD1 HIS 83 -2.170 0.014 -12.678 668 HD2 HIS 83 HD2 HIS 83 -4.632 -2.431 -10.300 669 HE1 HIS 83 HE1 HIS 83 -3.234 -1.666 -14.245 670 H PHE 84 HN PHE 84 -0.566 -0.210 -7.974 671 HA PHE 84 HA PHE 84 0.908 -2.210 -9.185 672 HB2 PHE 84 HB2 PHE 84 1.940 -0.251 -8.136 673 HB3 PHE 84 HB3 PHE 84 1.493 -0.830 -6.538 674 HD1 PHE 84 HD2 PHE 84 2.589 -2.787 -5.525 675 HD2 PHE 84 HD1 PHE 84 3.830 -1.238 -9.352 676 HE1 PHE 84 HE2 PHE 84 4.631 -4.171 -5.420 677 HE2 PHE 84 HE1 PHE 84 5.927 -2.573 -9.205 678 HZ PHE 84 HZ PHE 84 6.327 -4.026 -7.229 679 H ALA 85 HN ALA 85 -0.602 -2.382 -5.902 680 HA ALA 85 HA ALA 85 0.532 -4.934 -5.260 681 HB1 ALA 85 HB1 ALA 85 -0.671 -3.393 -3.677 682 HB2 ALA 85 HB2 ALA 85 -2.204 -3.910 -4.405 683 HB3 ALA 85 HB3 ALA 85 -1.184 -5.096 -3.571 684 H THR 86 HN THR 86 -2.675 -4.076 -6.660 685 HA THR 86 HA THR 86 -3.550 -6.751 -6.898 686 HB THR 86 HB THR 86 -4.577 -4.474 -8.618 687 HG1 THR 86 HG1 THR 86 -4.857 -4.807 -5.821 688 HG21 THR 86 HG21 THR 86 -5.666 -6.750 -8.699 689 HG22 THR 86 HG22 THR 86 -6.743 -5.462 -8.129 690 HG23 THR 86 HG23 THR 86 -6.024 -6.608 -6.972 691 H GLU 87 HN GLU 87 -1.797 -4.618 -9.232 692 HA GLU 87 HA GLU 87 -2.010 -6.115 -11.575 693 HB2 GLU 87 HB2 GLU 87 0.080 -4.309 -10.324 694 HB3 GLU 87 HB3 GLU 87 0.475 -5.205 -11.790 695 HG2 GLU 87 HG2 GLU 87 -1.543 -4.151 -12.877 696 HG3 GLU 87 HG3 GLU 87 -1.658 -3.111 -11.441 697 H ASN 88 HN ASN 88 0.205 -6.427 -8.830 698 HA ASN 88 HA ASN 88 1.675 -8.665 -10.075 699 HB2 ASN 88 HB2 ASN 88 2.052 -7.012 -7.548 700 HB3 ASN 88 HB3 ASN 88 3.088 -8.381 -7.984 701 HD21 ASN 88 HD21 ASN 88 2.556 -5.000 -8.502 702 HD22 ASN 88 HD22 ASN 88 3.834 -4.782 -9.655 703 H GLN 89 HN GLN 89 -1.198 -8.531 -8.611 704 HA GLN 89 HA GLN 89 -2.494 -9.739 -7.326 705 HB2 GLN 89 HB2 GLN 89 -0.782 -12.180 -7.724 706 HB3 GLN 89 HB3 GLN 89 -2.520 -12.067 -7.474 707 HG2 GLN 89 HG2 GLN 89 -0.935 -11.433 -9.967 708 HG3 GLN 89 HG3 GLN 89 -2.192 -12.650 -9.755 709 HE21 GLN 89 HE21 GLN 89 -1.621 -9.637 -11.194 710 HE22 GLN 89 HE22 GLN 89 -3.230 -9.004 -11.062 711 H LEU 90 HN LEU 90 -0.219 -8.365 -6.056 712 HA LEU 90 HA LEU 90 0.690 -9.955 -3.776 713 HB2 LEU 90 HB2 LEU 90 0.796 -6.986 -4.410 714 HB3 LEU 90 HB3 LEU 90 1.464 -7.701 -2.954 715 HG LEU 90 HG LEU 90 2.334 -8.404 -5.778 716 HD11 LEU 90 HD11 LEU 90 3.744 -6.694 -3.698 717 HD12 LEU 90 HD12 LEU 90 2.954 -6.100 -5.180 718 HD13 LEU 90 HD13 LEU 90 4.380 -7.134 -5.298 719 HD21 LEU 90 HD21 LEU 90 3.432 -9.281 -3.093 720 HD22 LEU 90 HD22 LEU 90 4.307 -9.443 -4.633 721 HD23 LEU 90 HD23 LEU 90 2.789 -10.302 -4.401 722 H ASN 91 HN ASN 91 0.054 -9.547 -1.622 723 HA ASN 91 HA ASN 91 -2.852 -9.091 -1.376 724 HB2 ASN 91 HB2 ASN 91 -1.482 -10.930 -0.194 725 HB3 ASN 91 HB3 ASN 91 -0.845 -9.660 0.829 726 HD21 ASN 91 HD21 ASN 91 -1.793 -11.062 2.518 727 HD22 ASN 91 HD22 ASN 91 -3.523 -11.030 2.806 728 H ILE 92 HN ILE 92 -3.667 -7.582 0.381 729 HA ILE 92 HA ILE 92 -2.004 -5.105 0.561 730 HB ILE 92 HB ILE 92 -5.016 -5.279 0.196 731 HG12 ILE 92 HG12 ILE 92 -2.905 -4.221 -1.744 732 HG13 ILE 92 HG13 ILE 92 -3.654 -5.808 -1.897 733 HG21 ILE 92 HG21 ILE 92 -4.908 -2.807 0.120 734 HG22 ILE 92 HG22 ILE 92 -4.220 -3.367 1.632 735 HG23 ILE 92 HG23 ILE 92 -3.142 -2.851 0.329 736 HD11 ILE 92 HD11 ILE 92 -5.871 -4.813 -2.117 737 HD12 ILE 92 HD12 ILE 92 -5.169 -3.181 -2.056 738 HD13 ILE 92 HD13 ILE 92 -4.759 -4.269 -3.390 739 H LEU 93 HN LEU 93 -1.445 -4.779 2.680 740 HA LEU 93 HA LEU 93 -3.307 -5.632 4.786 741 HB2 LEU 93 HB2 LEU 93 -0.412 -4.850 4.884 742 HB3 LEU 93 HB3 LEU 93 -1.384 -5.366 6.262 743 HG LEU 93 HG LEU 93 -0.436 -6.928 3.937 744 HD11 LEU 93 HD11 LEU 93 0.503 -7.159 6.804 745 HD12 LEU 93 HD12 LEU 93 1.342 -6.266 5.520 746 HD13 LEU 93 HD13 LEU 93 1.154 -8.017 5.392 747 HD21 LEU 93 HD21 LEU 93 -1.955 -7.985 6.321 748 HD22 LEU 93 HD22 LEU 93 -1.114 -9.005 5.138 749 HD23 LEU 93 HD23 LEU 93 -2.455 -7.983 4.606 750 H ASP 94 HN ASP 94 -3.039 -4.158 6.574 751 HA ASP 94 HA ASP 94 -3.234 -1.273 5.786 752 HB2 ASP 94 HB2 ASP 94 -4.762 -0.847 7.442 753 HB3 ASP 94 HB3 ASP 94 -5.243 -2.457 6.933 754 H ALA 95 HN ALA 95 -2.953 -0.054 8.130 755 HA ALA 95 HA ALA 95 -0.169 0.178 8.586 756 HB1 ALA 95 HB1 ALA 95 -2.437 1.051 10.439 757 HB2 ALA 95 HB2 ALA 95 -0.787 1.711 10.392 758 HB3 ALA 95 HB3 ALA 95 -1.874 1.994 9.037 759 H GLU 96 HN GLU 96 -2.593 -1.858 10.242 760 HA GLU 96 HA GLU 96 -0.815 -2.560 12.453 761 HB2 GLU 96 HB2 GLU 96 -3.493 -3.619 11.528 762 HB3 GLU 96 HB3 GLU 96 -2.649 -4.149 12.958 763 HG2 GLU 96 HG2 GLU 96 -3.576 -1.315 12.352 764 HG3 GLU 96 HG3 GLU 96 -4.448 -2.427 13.401 765 H GLY 97 HN GLY 97 -1.122 -3.474 9.202 766 HA2 GLY 97 HA2 GLY 97 -0.282 -5.112 7.990 767 HA3 GLY 97 HA1 GLY 97 0.473 -5.906 9.346 768 H ASN 98 HN ASN 98 -3.019 -5.110 9.160 769 HA ASN 98 HA ASN 98 -3.763 -7.999 9.168 770 HB2 ASN 98 HB2 ASN 98 -5.436 -5.458 9.382 771 HB3 ASN 98 HB3 ASN 98 -6.047 -7.093 9.502 772 HD21 ASN 98 HD21 ASN 98 -5.701 -4.583 11.480 773 HD22 ASN 98 HD22 ASN 98 -5.143 -5.373 12.931 774 H SER 99 HN SER 99 -4.816 -8.866 7.246 775 HA SER 99 HA SER 99 -4.534 -7.295 4.843 776 HB2 SER 99 HB2 SER 99 -5.807 -9.378 3.898 777 HB3 SER 99 HB3 SER 99 -4.103 -9.434 4.349 778 HG SER 99 HG SER 99 -4.483 -10.876 5.706 779 H ILE 100 HN ILE 100 -5.952 -6.242 3.699 780 HA ILE 100 HA ILE 100 -8.801 -6.124 4.464 781 HB ILE 100 HB ILE 100 -8.623 -3.611 4.239 782 HG12 ILE 100 HG12 ILE 100 -5.650 -3.904 4.786 783 HG13 ILE 100 HG13 ILE 100 -6.263 -3.772 3.136 784 HG21 ILE 100 HG21 ILE 100 -7.116 -4.789 6.597 785 HG22 ILE 100 HG22 ILE 100 -7.981 -3.238 6.536 786 HG23 ILE 100 HG23 ILE 100 -8.887 -4.741 6.404 787 HD11 ILE 100 HD11 ILE 100 -6.729 -1.700 5.316 788 HD12 ILE 100 HD12 ILE 100 -5.590 -1.581 3.964 789 HD13 ILE 100 HD13 ILE 100 -7.342 -1.629 3.653 790 H ASP 101 HN ASP 101 -9.620 -4.218 2.697 791 HA ASP 101 HA ASP 101 -8.830 -5.177 -0.018 792 HB2 ASP 101 HB2 ASP 101 -11.520 -4.752 1.193 793 HB3 ASP 101 HB3 ASP 101 -11.310 -4.255 -0.413 794 H ALA 102 HN ALA 102 -9.088 -3.652 -1.528 795 HA ALA 102 HA ALA 102 -7.785 -1.238 -0.861 796 HB1 ALA 102 HB1 ALA 102 -7.944 -0.711 -3.286 797 HB2 ALA 102 HB2 ALA 102 -7.453 -2.391 -2.994 798 HB3 ALA 102 HB3 ALA 102 -9.121 -2.037 -3.469 799 H ALA 103 HN ALA 103 -11.288 -1.724 -1.337 800 HA ALA 103 HA ALA 103 -11.860 1.094 -1.722 801 HB1 ALA 103 HB1 ALA 103 -13.585 -0.667 -2.167 802 HB2 ALA 103 HB2 ALA 103 -13.743 -0.888 -0.395 803 HB3 ALA 103 HB3 ALA 103 -14.135 0.655 -1.135 804 H GLN 104 HN GLN 104 -11.208 -0.882 1.099 805 HA GLN 104 HA GLN 104 -12.063 1.067 3.104 806 HB2 GLN 104 HB2 GLN 104 -10.418 -1.496 3.277 807 HB3 GLN 104 HB3 GLN 104 -10.960 -0.523 4.653 808 HG2 GLN 104 HG2 GLN 104 -13.317 -1.037 3.194 809 HG3 GLN 104 HG3 GLN 104 -12.346 -2.524 3.044 810 HE21 GLN 104 HE21 GLN 104 -12.615 -3.993 4.602 811 HE22 GLN 104 HE22 GLN 104 -13.073 -3.660 6.266 812 H VAL 105 HN VAL 105 -9.802 1.350 0.817 813 HA VAL 105 HA VAL 105 -8.147 3.022 2.601 814 HB VAL 105 HB VAL 105 -7.113 1.713 0.062 815 HG11 VAL 105 HG11 VAL 105 -5.696 2.930 2.467 816 HG12 VAL 105 HG12 VAL 105 -4.925 2.276 1.005 817 HG13 VAL 105 HG13 VAL 105 -5.941 3.728 0.906 818 HG21 VAL 105 HG21 VAL 105 -7.595 -0.184 1.543 819 HG22 VAL 105 HG22 VAL 105 -5.859 0.086 1.426 820 HG23 VAL 105 HG23 VAL 105 -6.733 0.628 2.872 821 H THR 106 HN THR 106 -9.306 2.600 -0.804 822 HA THR 106 HA THR 106 -8.538 5.392 -1.231 823 HB THR 106 HB THR 106 -9.679 4.723 -3.607 824 HG1 THR 106 HG1 THR 106 -8.667 2.285 -2.562 825 HG21 THR 106 HG21 THR 106 -7.376 4.183 -4.338 826 HG22 THR 106 HG22 THR 106 -6.877 4.111 -2.620 827 HG23 THR 106 HG23 THR 106 -7.475 5.623 -3.319 828 H GLU 107 HN GLU 107 -11.393 4.003 -0.135 829 HA GLU 107 HA GLU 107 -13.016 6.235 -1.245 830 HB2 GLU 107 HB2 GLU 107 -13.856 3.322 -1.053 831 HB3 GLU 107 HB3 GLU 107 -14.692 4.682 -1.811 832 HG2 GLU 107 HG2 GLU 107 -12.652 4.894 -3.362 833 HG3 GLU 107 HG3 GLU 107 -12.170 3.296 -2.772 834 H ILE 108 HN ILE 108 -11.799 5.939 1.377 835 HA ILE 108 HA ILE 108 -13.448 5.291 3.479 836 HB ILE 108 HB ILE 108 -11.775 7.782 3.363 837 HG12 ILE 108 HG12 ILE 108 -10.301 6.050 2.704 838 HG13 ILE 108 HG13 ILE 108 -10.059 6.298 4.422 839 HG21 ILE 108 HG21 ILE 108 -11.540 7.459 5.790 840 HG22 ILE 108 HG22 ILE 108 -13.233 7.678 5.358 841 HG23 ILE 108 HG23 ILE 108 -12.629 6.060 5.742 842 HD11 ILE 108 HD11 ILE 108 -11.516 3.957 3.164 843 HD12 ILE 108 HD12 ILE 108 -9.960 3.965 4.008 844 HD13 ILE 108 HD13 ILE 108 -11.446 4.274 4.916 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -21.693 -0.861 -5.208 2 HA2 GLY 1 HA2 GLY 1 -21.397 -0.233 -2.908 3 HA3 GLY 1 HA1 GLY 1 -23.126 -0.178 -3.298 4 H MET 2 HN MET 2 -24.532 -1.550 -2.151 5 HA MET 2 HA MET 2 -25.246 -2.990 -0.593 6 HB2 MET 2 HB2 MET 2 -22.938 -4.723 -1.572 7 HB3 MET 2 HB3 MET 2 -24.301 -5.263 -0.604 8 HG2 MET 2 HG2 MET 2 -24.901 -5.891 -2.736 9 HG3 MET 2 HG3 MET 2 -25.847 -4.448 -2.422 10 HE1 MET 2 HE1 MET 2 -23.224 -6.248 -4.618 11 HE2 MET 2 HE2 MET 2 -22.405 -4.938 -5.489 12 HE3 MET 2 HE3 MET 2 -22.114 -5.158 -3.752 13 H GLY 3 HN GLY 3 -23.328 -0.947 0.388 14 HA2 GLY 3 HA2 GLY 3 -22.979 -0.366 2.594 15 HA3 GLY 3 HA1 GLY 3 -23.321 -2.012 3.101 16 H THR 4 HN THR 4 -20.901 0.109 1.664 17 HA THR 4 HA THR 4 -18.648 -1.528 2.618 18 HB THR 4 HB THR 4 -19.333 -2.333 0.426 19 HG1 THR 4 HG1 THR 4 -16.806 -1.069 0.438 20 HG21 THR 4 HG21 THR 4 -20.139 -0.103 -0.541 21 HG22 THR 4 HG22 THR 4 -19.240 -1.220 -1.578 22 HG23 THR 4 HG23 THR 4 -18.422 0.198 -0.919 23 H THR 5 HN THR 5 -18.566 0.139 4.193 24 HA THR 5 HA THR 5 -16.793 2.219 3.478 25 HB THR 5 HB THR 5 -19.062 3.181 2.887 26 HG1 THR 5 HG1 THR 5 -17.268 4.454 3.040 27 HG21 THR 5 HG21 THR 5 -19.349 3.781 5.834 28 HG22 THR 5 HG22 THR 5 -20.270 2.535 4.978 29 HG23 THR 5 HG23 THR 5 -20.425 4.246 4.513 30 H GLU 6 HN GLU 6 -17.360 -0.121 5.330 31 HA GLU 6 HA GLU 6 -17.105 1.062 8.009 32 HB2 GLU 6 HB2 GLU 6 -16.771 -1.043 8.934 33 HB3 GLU 6 HB3 GLU 6 -18.111 -1.181 7.802 34 HG2 GLU 6 HG2 GLU 6 -16.701 -2.386 6.211 35 HG3 GLU 6 HG3 GLU 6 -15.259 -2.108 7.215 36 H LYS 7 HN LYS 7 -15.284 1.439 9.095 37 HA LYS 7 HA LYS 7 -12.649 0.824 8.022 38 HB2 LYS 7 HB2 LYS 7 -11.962 3.213 7.832 39 HB3 LYS 7 HB3 LYS 7 -13.220 2.757 6.695 40 HG2 LYS 7 HG2 LYS 7 -14.705 3.746 8.858 41 HG3 LYS 7 HG3 LYS 7 -13.270 4.764 8.888 42 HD2 LYS 7 HD2 LYS 7 -14.963 4.234 6.410 43 HD3 LYS 7 HD3 LYS 7 -15.243 5.586 7.500 44 HE2 LYS 7 HE2 LYS 7 -12.535 5.130 6.192 45 HE3 LYS 7 HE3 LYS 7 -13.846 5.954 5.334 46 HZ1 LYS 7 HZ1 LYS 7 -12.719 6.889 7.905 47 HZ2 LYS 7 HZ2 LYS 7 -13.958 7.565 7.068 48 HZ3 LYS 7 HZ3 LYS 7 -12.481 7.553 6.407 49 H SER 8 HN SER 8 -10.927 1.479 9.532 50 HA SER 8 HA SER 8 -11.942 1.569 12.321 51 HB2 SER 8 HB2 SER 8 -11.148 -0.662 11.438 52 HB3 SER 8 HB3 SER 8 -9.536 0.044 11.273 53 HG SER 8 HG SER 8 -10.943 -0.753 13.534 54 H GLY 9 HN GLY 9 -10.430 3.412 10.150 55 HA2 GLY 9 HA2 GLY 9 -9.555 5.537 10.505 56 HA3 GLY 9 HA1 GLY 9 -9.305 5.170 12.223 57 H ILE 10 HN ILE 10 -8.161 2.932 9.869 58 HA ILE 10 HA ILE 10 -5.415 3.038 10.627 59 HB ILE 10 HB ILE 10 -6.575 1.885 8.060 60 HG12 ILE 10 HG12 ILE 10 -6.341 0.272 10.608 61 HG13 ILE 10 HG13 ILE 10 -7.831 1.126 10.266 62 HG21 ILE 10 HG21 ILE 10 -4.320 0.830 9.837 63 HG22 ILE 10 HG22 ILE 10 -4.737 0.300 8.194 64 HG23 ILE 10 HG23 ILE 10 -4.046 1.901 8.476 65 HD11 ILE 10 HD11 ILE 10 -6.624 -1.068 8.576 66 HD12 ILE 10 HD12 ILE 10 -8.115 -1.081 9.537 67 HD13 ILE 10 HD13 ILE 10 -8.019 -0.072 8.086 68 H LYS 11 HN LYS 11 -3.710 4.034 9.587 69 HA LYS 11 HA LYS 11 -4.214 5.785 7.280 70 HB2 LYS 11 HB2 LYS 11 -3.279 7.683 8.321 71 HB3 LYS 11 HB3 LYS 11 -4.623 7.056 9.281 72 HG2 LYS 11 HG2 LYS 11 -1.752 6.454 10.010 73 HG3 LYS 11 HG3 LYS 11 -2.514 7.947 10.494 74 HD2 LYS 11 HD2 LYS 11 -3.828 5.295 11.183 75 HD3 LYS 11 HD3 LYS 11 -2.460 5.915 12.096 76 HE2 LYS 11 HE2 LYS 11 -3.571 7.884 12.683 77 HE3 LYS 11 HE3 LYS 11 -4.906 7.574 11.551 78 HZ1 LYS 11 HZ1 LYS 11 -5.410 7.001 13.923 79 HZ2 LYS 11 HZ2 LYS 11 -4.282 5.811 13.850 80 HZ3 LYS 11 HZ3 LYS 11 -5.610 5.745 12.877 81 H GLU 12 HN GLU 12 -2.715 3.197 7.800 82 HA GLU 12 HA GLU 12 -0.803 3.671 5.753 83 HB2 GLU 12 HB2 GLU 12 0.630 4.453 7.684 84 HB3 GLU 12 HB3 GLU 12 0.249 2.986 8.576 85 HG2 GLU 12 HG2 GLU 12 1.580 1.644 7.058 86 HG3 GLU 12 HG3 GLU 12 1.848 3.026 5.990 87 H ILE 13 HN ILE 13 -0.242 1.809 4.784 88 HA ILE 13 HA ILE 13 -1.410 -0.735 5.810 89 HB ILE 13 HB ILE 13 -1.932 -1.337 3.490 90 HG12 ILE 13 HG12 ILE 13 -0.241 -0.053 2.303 91 HG13 ILE 13 HG13 ILE 13 -1.797 0.196 1.667 92 HG21 ILE 13 HG21 ILE 13 -3.873 -0.063 3.103 93 HG22 ILE 13 HG22 ILE 13 -3.712 -0.349 4.844 94 HG23 ILE 13 HG23 ILE 13 -3.332 1.247 4.155 95 HD11 ILE 13 HD11 ILE 13 -0.175 2.031 3.024 96 HD12 ILE 13 HD12 ILE 13 -1.039 2.247 1.492 97 HD13 ILE 13 HD13 ILE 13 -1.925 2.373 3.024 98 H ILE 14 HN ILE 14 -0.408 -2.529 4.278 99 HA ILE 14 HA ILE 14 2.374 -1.919 3.660 100 HB ILE 14 HB ILE 14 1.793 -4.401 5.287 101 HG12 ILE 14 HG12 ILE 14 2.614 -1.701 6.363 102 HG13 ILE 14 HG13 ILE 14 1.134 -2.592 6.755 103 HG21 ILE 14 HG21 ILE 14 4.171 -4.528 5.517 104 HG22 ILE 14 HG22 ILE 14 3.844 -4.162 3.817 105 HG23 ILE 14 HG23 ILE 14 4.392 -2.867 4.899 106 HD11 ILE 14 HD11 ILE 14 3.943 -3.237 7.544 107 HD12 ILE 14 HD12 ILE 14 2.555 -2.898 8.592 108 HD13 ILE 14 HD13 ILE 14 2.621 -4.434 7.687 109 H ILE 15 HN ILE 15 2.314 -2.331 1.532 110 HA ILE 15 HA ILE 15 0.695 -4.428 0.322 111 HB ILE 15 HB ILE 15 3.175 -3.162 -0.834 112 HG12 ILE 15 HG12 ILE 15 1.925 -1.215 -0.264 113 HG13 ILE 15 HG13 ILE 15 1.822 -1.479 -1.980 114 HG21 ILE 15 HG21 ILE 15 2.138 -3.697 -2.990 115 HG22 ILE 15 HG22 ILE 15 2.268 -5.135 -1.994 116 HG23 ILE 15 HG23 ILE 15 0.706 -4.336 -2.166 117 HD11 ILE 15 HD11 ILE 15 -0.310 -0.734 -1.220 118 HD12 ILE 15 HD12 ILE 15 -0.500 -2.439 -1.640 119 HD13 ILE 15 HD13 ILE 15 -0.359 -1.939 0.063 120 H GLN 16 HN GLN 16 1.166 -6.530 1.088 121 HA GLN 16 HA GLN 16 3.678 -7.262 2.143 122 HB2 GLN 16 HB2 GLN 16 1.218 -8.410 2.134 123 HB3 GLN 16 HB3 GLN 16 2.022 -9.406 0.901 124 HG2 GLN 16 HG2 GLN 16 3.846 -9.873 2.563 125 HG3 GLN 16 HG3 GLN 16 3.018 -8.848 3.728 126 HE21 GLN 16 HE21 GLN 16 2.878 -10.607 5.262 127 HE22 GLN 16 HE22 GLN 16 1.851 -11.991 4.913 128 H GLY 17 HN GLY 17 5.267 -8.778 1.257 129 HA2 GLY 17 HA2 GLY 17 5.720 -8.483 -1.685 130 HA3 GLY 17 HA1 GLY 17 6.916 -8.994 -0.498 131 H LEU 18 HN LEU 18 4.218 -10.830 0.403 132 HA LEU 18 HA LEU 18 4.665 -12.967 -1.444 133 HB2 LEU 18 HB2 LEU 18 2.739 -12.423 0.816 134 HB3 LEU 18 HB3 LEU 18 2.784 -13.948 -0.056 135 HG LEU 18 HG LEU 18 5.448 -13.392 0.878 136 HD11 LEU 18 HD11 LEU 18 4.590 -13.813 3.405 137 HD12 LEU 18 HD12 LEU 18 2.988 -13.538 2.741 138 HD13 LEU 18 HD13 LEU 18 4.143 -12.210 2.835 139 HD21 LEU 18 HD21 LEU 18 3.903 -15.646 1.249 140 HD22 LEU 18 HD22 LEU 18 5.573 -15.257 1.843 141 HD23 LEU 18 HD23 LEU 18 5.219 -15.106 0.134 142 H THR 19 HN THR 19 2.767 -13.848 -2.295 143 HA THR 19 HA THR 19 1.279 -11.939 -3.972 144 HB THR 19 HB THR 19 0.401 -14.076 -5.040 145 HG1 THR 19 HG1 THR 19 1.865 -15.872 -4.553 146 HG21 THR 19 HG21 THR 19 2.368 -12.742 -5.889 147 HG22 THR 19 HG22 THR 19 2.347 -14.464 -6.322 148 HG23 THR 19 HG23 THR 19 3.430 -13.857 -5.005 149 H ARG 20 HN ARG 20 -1.088 -12.440 -4.391 150 HA ARG 20 HA ARG 20 -2.903 -12.666 -2.256 151 HB2 ARG 20 HB2 ARG 20 -4.485 -13.288 -4.015 152 HB3 ARG 20 HB3 ARG 20 -3.462 -11.937 -4.474 153 HG2 ARG 20 HG2 ARG 20 -2.039 -13.574 -5.798 154 HG3 ARG 20 HG3 ARG 20 -3.214 -14.838 -5.425 155 HD2 ARG 20 HD2 ARG 20 -4.026 -12.185 -6.614 156 HD3 ARG 20 HD3 ARG 20 -3.452 -13.505 -7.669 157 HE ARG 20 HE ARG 20 -6.013 -13.101 -6.627 158 HH11 ARG 20 HH11 ARG 20 -3.755 -15.734 -7.442 159 HH12 ARG 20 HH12 ARG 20 -5.024 -16.923 -7.631 160 HH21 ARG 20 HH21 ARG 20 -7.648 -14.673 -6.960 161 HH22 ARG 20 HH22 ARG 20 -7.262 -16.267 -7.511 162 H ALA 21 HN ALA 21 -0.954 -15.199 -3.739 163 HA ALA 21 HA ALA 21 -2.463 -17.390 -2.463 164 HB1 ALA 21 HB1 ALA 21 -1.420 -17.673 -4.816 165 HB2 ALA 21 HB2 ALA 21 0.144 -17.436 -4.041 166 HB3 ALA 21 HB3 ALA 21 -0.923 -18.816 -3.588 167 H GLY 22 HN GLY 22 -0.408 -15.074 -1.205 168 HA2 GLY 22 HA2 GLY 22 0.925 -14.979 0.531 169 HA3 GLY 22 HA1 GLY 22 0.403 -16.619 1.045 170 H LYS 23 HN LYS 23 2.222 -15.669 -1.997 171 HA LYS 23 HA LYS 23 4.552 -16.865 -0.632 172 HB2 LYS 23 HB2 LYS 23 3.244 -17.734 -3.258 173 HB3 LYS 23 HB3 LYS 23 4.992 -17.702 -3.206 174 HG2 LYS 23 HG2 LYS 23 5.060 -19.681 -2.342 175 HG3 LYS 23 HG3 LYS 23 4.433 -18.967 -0.832 176 HD2 LYS 23 HD2 LYS 23 2.302 -19.818 -1.017 177 HD3 LYS 23 HD3 LYS 23 2.293 -19.784 -2.799 178 HE2 LYS 23 HE2 LYS 23 3.784 -21.555 -2.980 179 HE3 LYS 23 HE3 LYS 23 3.923 -21.706 -1.164 180 HZ1 LYS 23 HZ1 LYS 23 1.629 -22.428 -2.905 181 HZ2 LYS 23 HZ2 LYS 23 1.545 -22.334 -1.261 182 HZ3 LYS 23 HZ3 LYS 23 2.667 -23.318 -2.028 183 HA PRO 24 HA PRO 24 6.782 -13.694 -1.655 184 HB2 PRO 24 HB2 PRO 24 9.337 -14.466 -1.734 185 HB3 PRO 24 HB3 PRO 24 8.324 -14.566 -0.283 186 HG2 PRO 24 HG2 PRO 24 9.004 -16.754 -2.243 187 HG3 PRO 24 HG3 PRO 24 9.015 -16.821 -0.453 188 HD2 PRO 24 HD2 PRO 24 6.812 -17.755 -1.833 189 HD3 PRO 24 HD3 PRO 24 6.659 -16.928 -0.257 190 H PHE 25 HN PHE 25 6.921 -12.504 -3.298 191 HA PHE 25 HA PHE 25 6.905 -13.705 -5.993 192 HB2 PHE 25 HB2 PHE 25 5.035 -12.427 -5.589 193 HB3 PHE 25 HB3 PHE 25 5.834 -11.315 -4.540 194 HD1 PHE 25 HD2 PHE 25 5.340 -12.329 -8.116 195 HD2 PHE 25 HD1 PHE 25 6.685 -9.218 -5.458 196 HE1 PHE 25 HE2 PHE 25 5.423 -10.736 -10.011 197 HE2 PHE 25 HE1 PHE 25 6.695 -7.609 -7.341 198 HZ PHE 25 HZ PHE 25 6.025 -8.356 -9.618 199 H ARG 26 HN ARG 26 8.318 -13.032 -7.704 200 HA ARG 26 HA ARG 26 10.706 -11.567 -6.806 201 HB2 ARG 26 HB2 ARG 26 10.330 -13.818 -8.751 202 HB3 ARG 26 HB3 ARG 26 11.556 -12.678 -9.103 203 HG2 ARG 26 HG2 ARG 26 11.660 -13.581 -6.276 204 HG3 ARG 26 HG3 ARG 26 11.796 -14.903 -7.429 205 HD2 ARG 26 HD2 ARG 26 13.912 -14.388 -7.961 206 HD3 ARG 26 HD3 ARG 26 13.476 -12.726 -8.329 207 HE ARG 26 HE ARG 26 14.678 -12.185 -6.504 208 HH11 ARG 26 HH11 ARG 26 13.477 -15.505 -5.952 209 HH12 ARG 26 HH12 ARG 26 13.974 -15.558 -4.311 210 HH21 ARG 26 HH21 ARG 26 15.393 -12.300 -4.327 211 HH22 ARG 26 HH22 ARG 26 15.149 -13.729 -3.394 212 HA PRO 27 HA PRO 27 12.451 -10.848 -8.146 213 HB2 PRO 27 HB2 PRO 27 13.444 -8.286 -8.500 214 HB3 PRO 27 HB3 PRO 27 13.347 -9.479 -9.836 215 HG2 PRO 27 HG2 PRO 27 11.344 -7.347 -9.120 216 HG3 PRO 27 HG3 PRO 27 12.106 -7.636 -10.728 217 HD2 PRO 27 HD2 PRO 27 9.666 -8.665 -10.140 218 HD3 PRO 27 HD3 PRO 27 10.864 -9.660 -11.013 219 H SER 28 HN SER 28 13.259 -10.219 -5.985 220 HA SER 28 HA SER 28 11.158 -9.365 -4.195 221 HB2 SER 28 HB2 SER 28 13.459 -10.830 -3.899 222 HB3 SER 28 HB3 SER 28 13.982 -9.266 -3.250 223 HG SER 28 HG SER 28 11.749 -10.823 -2.408 224 H ASP 29 HN ASP 29 13.668 -7.798 -5.967 225 HA ASP 29 HA ASP 29 14.086 -5.325 -4.855 226 HB2 ASP 29 HB2 ASP 29 13.763 -6.056 -7.802 227 HB3 ASP 29 HB3 ASP 29 14.635 -4.668 -7.180 228 H TRP 30 HN TRP 30 11.013 -6.449 -6.051 229 HA TRP 30 HA TRP 30 10.006 -4.205 -7.387 230 HB2 TRP 30 HB2 TRP 30 7.863 -5.090 -7.003 231 HB3 TRP 30 HB3 TRP 30 8.939 -6.477 -7.140 232 HD1 TRP 30 HD1 TRP 30 9.053 -8.044 -4.991 233 HE1 TRP 30 HE1 TRP 30 7.850 -8.107 -2.723 234 HE3 TRP 30 HE3 TRP 30 6.705 -3.507 -5.227 235 HZ2 TRP 30 HZ2 TRP 30 5.855 -6.415 -1.288 236 HZ3 TRP 30 HZ3 TRP 30 5.189 -2.784 -3.423 237 HH2 TRP 30 HH2 TRP 30 4.797 -4.245 -1.465 238 H VAL 31 HN VAL 31 10.399 -4.660 -3.938 239 HA VAL 31 HA VAL 31 8.925 -2.400 -3.011 240 HB VAL 31 HB VAL 31 11.299 -3.997 -1.940 241 HG11 VAL 31 HG11 VAL 31 10.831 -3.093 0.272 242 HG12 VAL 31 HG12 VAL 31 11.376 -1.825 -0.838 243 HG13 VAL 31 HG13 VAL 31 9.651 -1.953 -0.412 244 HG21 VAL 31 HG21 VAL 31 8.303 -4.059 -1.410 245 HG22 VAL 31 HG22 VAL 31 9.325 -5.346 -2.098 246 HG23 VAL 31 HG23 VAL 31 9.493 -4.892 -0.401 247 H ASP 32 HN ASP 32 12.387 -2.799 -3.954 248 HA ASP 32 HA ASP 32 13.031 -0.058 -3.310 249 HB2 ASP 32 HB2 ASP 32 14.522 -2.372 -4.523 250 HB3 ASP 32 HB3 ASP 32 15.144 -0.727 -4.716 251 H ARG 33 HN ARG 33 12.211 -1.889 -6.251 252 HA ARG 33 HA ARG 33 12.639 0.342 -8.064 253 HB2 ARG 33 HB2 ARG 33 10.774 -2.039 -8.446 254 HB3 ARG 33 HB3 ARG 33 11.156 -0.815 -9.658 255 HG2 ARG 33 HG2 ARG 33 13.676 -1.534 -9.173 256 HG3 ARG 33 HG3 ARG 33 12.920 -2.985 -8.546 257 HD2 ARG 33 HD2 ARG 33 13.373 -3.563 -10.764 258 HD3 ARG 33 HD3 ARG 33 11.672 -3.121 -10.815 259 HE ARG 33 HE ARG 33 12.119 -1.130 -11.899 260 HH11 ARG 33 HH11 ARG 33 14.913 -3.354 -11.952 261 HH12 ARG 33 HH12 ARG 33 15.740 -2.476 -13.176 262 HH21 ARG 33 HH21 ARG 33 13.186 -0.065 -13.592 263 HH22 ARG 33 HH22 ARG 33 14.671 -0.644 -14.249 264 H MET 34 HN MET 34 9.727 -0.604 -6.019 265 HA MET 34 HA MET 34 8.090 1.435 -7.066 266 HB2 MET 34 HB2 MET 34 8.209 -0.308 -4.620 267 HB3 MET 34 HB3 MET 34 7.307 1.216 -4.487 268 HG2 MET 34 HG2 MET 34 6.847 -0.563 -6.857 269 HG3 MET 34 HG3 MET 34 6.075 -0.874 -5.305 270 HE1 MET 34 HE1 MET 34 3.160 0.793 -7.193 271 HE2 MET 34 HE2 MET 34 4.451 0.012 -8.142 272 HE3 MET 34 HE3 MET 34 3.929 -0.689 -6.593 273 H CYS 35 HN CYS 35 10.202 1.484 -4.079 274 HA CYS 35 HA CYS 35 9.517 4.185 -3.605 275 HB2 CYS 35 HB2 CYS 35 11.301 4.288 -2.020 276 HB3 CYS 35 HB3 CYS 35 10.533 2.690 -1.978 277 HG CYS 35 HG CYS 35 12.386 1.603 -3.629 278 H SER 36 HN SER 36 12.148 2.878 -5.609 279 HA SER 36 HA SER 36 13.360 5.326 -6.363 280 HB2 SER 36 HB2 SER 36 13.208 2.786 -7.936 281 HB3 SER 36 HB3 SER 36 14.423 4.069 -8.051 282 HG SER 36 HG SER 36 14.002 2.167 -6.001 283 H THR 37 HN THR 37 10.305 3.971 -7.402 284 HA THR 37 HA THR 37 10.120 5.594 -9.849 285 HB THR 37 HB THR 37 8.318 3.561 -8.451 286 HG1 THR 37 HG1 THR 37 9.993 2.619 -9.426 287 HG21 THR 37 HG21 THR 37 6.767 5.011 -9.586 288 HG22 THR 37 HG22 THR 37 6.928 3.532 -10.514 289 HG23 THR 37 HG23 THR 37 7.756 5.014 -11.048 290 H TYR 38 HN TYR 38 9.616 6.099 -6.506 291 HA TYR 38 HA TYR 38 7.617 8.259 -7.063 292 HB2 TYR 38 HB2 TYR 38 7.998 6.448 -4.662 293 HB3 TYR 38 HB3 TYR 38 7.080 7.942 -4.593 294 HD1 TYR 38 HD1 TYR 38 7.189 4.858 -6.870 295 HD2 TYR 38 HD2 TYR 38 4.711 7.617 -4.644 296 HE1 TYR 38 HE1 TYR 38 5.211 3.841 -7.844 297 HE2 TYR 38 HE2 TYR 38 2.725 6.535 -5.584 298 HH TYR 38 HH TYR 38 2.879 3.780 -7.867 299 H ALA 39 HN ALA 39 10.842 7.874 -6.757 300 HA ALA 39 HA ALA 39 11.414 10.088 -4.890 301 HB1 ALA 39 HB1 ALA 39 13.574 8.947 -4.739 302 HB2 ALA 39 HB2 ALA 39 12.310 7.762 -4.531 303 HB3 ALA 39 HB3 ALA 39 13.162 7.872 -6.085 304 H SER 40 HN SER 40 13.674 11.118 -5.669 305 HA SER 40 HA SER 40 14.117 11.478 -8.519 306 HB2 SER 40 HB2 SER 40 12.498 13.635 -7.087 307 HB3 SER 40 HB3 SER 40 13.472 13.976 -8.523 308 HG SER 40 HG SER 40 11.037 13.197 -8.475 309 H PHE 41 HN PHE 41 15.681 13.020 -9.095 310 HA PHE 41 HA PHE 41 17.796 12.811 -7.082 311 HB2 PHE 41 HB2 PHE 41 17.767 13.521 -10.021 312 HB3 PHE 41 HB3 PHE 41 19.248 13.421 -9.056 313 HD1 PHE 41 HD2 PHE 41 17.073 10.795 -8.031 314 HD2 PHE 41 HD1 PHE 41 19.738 11.876 -11.220 315 HE1 PHE 41 HE2 PHE 41 16.803 8.567 -9.023 316 HE2 PHE 41 HE1 PHE 41 19.829 9.486 -11.889 317 HZ PHE 41 HZ PHE 41 18.259 7.807 -10.727 318 H GLY 42 HN GLY 42 19.141 14.471 -6.484 319 HA2 GLY 42 HA2 GLY 42 18.112 17.271 -6.922 320 HA3 GLY 42 HA1 GLY 42 18.637 16.610 -5.365 321 H ALA 43 HN ALA 43 19.734 17.149 -8.680 322 HA ALA 43 HA ALA 43 21.607 17.522 -9.738 323 HB1 ALA 43 HB1 ALA 43 21.734 19.534 -8.387 324 HB2 ALA 43 HB2 ALA 43 22.653 18.669 -7.135 325 HB3 ALA 43 HB3 ALA 43 23.353 18.908 -8.749 326 H ASP 44 HN ASP 44 22.145 15.843 -6.728 327 HA ASP 44 HA ASP 44 24.782 14.980 -7.004 328 HB2 ASP 44 HB2 ASP 44 23.299 15.394 -4.990 329 HB3 ASP 44 HB3 ASP 44 22.499 13.865 -5.327 330 H ARG 45 HN ARG 45 22.594 13.975 -9.052 331 HA ARG 45 HA ARG 45 21.688 12.214 -9.987 332 HB2 ARG 45 HB2 ARG 45 24.600 11.444 -9.777 333 HB3 ARG 45 HB3 ARG 45 23.522 10.137 -10.156 334 HG2 ARG 45 HG2 ARG 45 24.115 10.763 -12.224 335 HG3 ARG 45 HG3 ARG 45 22.574 11.610 -12.059 336 HD2 ARG 45 HD2 ARG 45 23.686 13.728 -11.787 337 HD3 ARG 45 HD3 ARG 45 25.239 12.943 -11.445 338 HE ARG 45 HE ARG 45 24.103 12.340 -14.072 339 HH11 ARG 45 HH11 ARG 45 26.117 14.713 -12.354 340 HH12 ARG 45 HH12 ARG 45 27.186 14.997 -13.671 341 HH21 ARG 45 HH21 ARG 45 25.606 12.620 -15.816 342 HH22 ARG 45 HH22 ARG 45 26.781 13.874 -15.741 343 H LYS 46 HN LYS 46 21.712 12.230 -6.898 344 HA LYS 46 HA LYS 46 20.917 9.388 -6.494 345 HB2 LYS 46 HB2 LYS 46 23.006 9.960 -5.344 346 HB3 LYS 46 HB3 LYS 46 22.278 11.427 -4.681 347 HG2 LYS 46 HG2 LYS 46 20.772 10.135 -3.289 348 HG3 LYS 46 HG3 LYS 46 21.345 8.607 -3.992 349 HD2 LYS 46 HD2 LYS 46 23.496 8.821 -2.985 350 HD3 LYS 46 HD3 LYS 46 23.288 10.551 -2.689 351 HE2 LYS 46 HE2 LYS 46 21.328 9.911 -1.148 352 HE3 LYS 46 HE3 LYS 46 21.932 8.246 -1.246 353 HZ1 LYS 46 HZ1 LYS 46 24.013 9.020 -0.321 354 HZ2 LYS 46 HZ2 LYS 46 22.766 9.412 0.668 355 HZ3 LYS 46 HZ3 LYS 46 23.465 10.583 -0.239 356 H LEU 47 HN LEU 47 18.997 9.015 -5.950 357 HA LEU 47 HA LEU 47 17.132 11.208 -5.900 358 HB2 LEU 47 HB2 LEU 47 15.380 9.450 -5.616 359 HB3 LEU 47 HB3 LEU 47 16.217 9.373 -7.080 360 HG LEU 47 HG LEU 47 15.583 7.242 -6.103 361 HD11 LEU 47 HD11 LEU 47 18.218 7.892 -7.208 362 HD12 LEU 47 HD12 LEU 47 16.849 6.926 -7.804 363 HD13 LEU 47 HD13 LEU 47 17.931 6.231 -6.607 364 HD21 LEU 47 HD21 LEU 47 17.110 6.319 -4.412 365 HD22 LEU 47 HD22 LEU 47 16.301 7.796 -3.806 366 HD23 LEU 47 HD23 LEU 47 17.998 7.849 -4.396 367 H ARG 48 HN ARG 48 15.499 11.458 -4.359 368 HA ARG 48 HA ARG 48 16.154 10.730 -1.529 369 HB2 ARG 48 HB2 ARG 48 15.012 13.165 -2.928 370 HB3 ARG 48 HB3 ARG 48 14.199 12.673 -1.469 371 HG2 ARG 48 HG2 ARG 48 16.484 12.696 -0.296 372 HG3 ARG 48 HG3 ARG 48 17.176 13.266 -1.829 373 HD2 ARG 48 HD2 ARG 48 15.524 15.239 -1.638 374 HD3 ARG 48 HD3 ARG 48 15.262 14.711 0.041 375 HE ARG 48 HE ARG 48 17.914 15.356 -1.180 376 HH11 ARG 48 HH11 ARG 48 15.705 16.072 1.551 377 HH12 ARG 48 HH12 ARG 48 16.983 16.614 2.567 378 HH21 ARG 48 HH21 ARG 48 19.567 16.024 0.231 379 HH22 ARG 48 HH22 ARG 48 19.135 16.861 1.676 380 H TYR 49 HN TYR 49 14.943 8.993 -0.955 381 HA TYR 49 HA TYR 49 12.539 8.276 -2.440 382 HB2 TYR 49 HB2 TYR 49 13.578 7.323 0.253 383 HB3 TYR 49 HB3 TYR 49 12.267 6.598 -0.667 384 HD1 TYR 49 HD1 TYR 49 13.048 6.135 -3.301 385 HD2 TYR 49 HD2 TYR 49 15.591 6.127 0.165 386 HE1 TYR 49 HE1 TYR 49 14.664 4.696 -4.506 387 HE2 TYR 49 HE2 TYR 49 17.147 4.585 -0.988 388 HH TYR 49 HH TYR 49 16.924 3.811 -4.445 389 H SER 50 HN SER 50 10.511 8.962 -1.981 390 HA SER 50 HA SER 50 10.083 11.160 -0.177 391 HB2 SER 50 HB2 SER 50 8.218 9.175 -1.529 392 HB3 SER 50 HB3 SER 50 7.649 10.556 -0.583 393 HG SER 50 HG SER 50 7.867 10.983 -2.873 394 HA PRO 51 HA PRO 51 10.075 9.026 3.613 395 HB2 PRO 51 HB2 PRO 51 8.499 10.612 5.217 396 HB3 PRO 51 HB3 PRO 51 10.108 11.101 4.605 397 HG2 PRO 51 HG2 PRO 51 7.384 11.721 3.364 398 HG3 PRO 51 HG3 PRO 51 8.682 12.886 3.802 399 HD2 PRO 51 HD2 PRO 51 8.506 11.989 1.305 400 HD3 PRO 51 HD3 PRO 51 10.116 12.038 2.088 401 H TYR 52 HN TYR 52 6.988 9.518 2.082 402 HA TYR 52 HA TYR 52 5.342 8.118 3.946 403 HB2 TYR 52 HB2 TYR 52 4.900 8.741 1.002 404 HB3 TYR 52 HB3 TYR 52 3.649 8.273 2.120 405 HD1 TYR 52 HD2 TYR 52 3.858 9.946 4.474 406 HD2 TYR 52 HD1 TYR 52 4.633 10.963 0.356 407 HE1 TYR 52 HE2 TYR 52 3.528 12.326 5.009 408 HE2 TYR 52 HE1 TYR 52 4.270 13.343 0.880 409 HH TYR 52 HH TYR 52 4.013 14.558 4.154 410 H LEU 53 HN LEU 53 7.802 6.682 2.375 411 HA LEU 53 HA LEU 53 6.280 4.258 1.600 412 HB2 LEU 53 HB2 LEU 53 7.462 6.410 -0.084 413 HB3 LEU 53 HB3 LEU 53 7.996 4.782 -0.554 414 HG LEU 53 HG LEU 53 5.052 5.451 -0.129 415 HD11 LEU 53 HD11 LEU 53 5.839 6.984 -1.844 416 HD12 LEU 53 HD12 LEU 53 4.870 5.691 -2.583 417 HD13 LEU 53 HD13 LEU 53 6.641 5.654 -2.707 418 HD21 LEU 53 HD21 LEU 53 6.418 3.290 -1.783 419 HD22 LEU 53 HD22 LEU 53 4.694 3.427 -1.355 420 HD23 LEU 53 HD23 LEU 53 5.885 3.052 -0.121 421 H LYS 54 HN LYS 54 7.339 2.863 3.023 422 HA LYS 54 HA LYS 54 10.303 2.748 2.706 423 HB2 LYS 54 HB2 LYS 54 8.816 3.039 5.321 424 HB3 LYS 54 HB3 LYS 54 10.502 2.505 5.181 425 HG2 LYS 54 HG2 LYS 54 10.980 4.613 3.820 426 HG3 LYS 54 HG3 LYS 54 9.360 5.185 4.249 427 HD2 LYS 54 HD2 LYS 54 11.628 4.582 6.176 428 HD3 LYS 54 HD3 LYS 54 11.049 6.180 5.673 429 HE2 LYS 54 HE2 LYS 54 8.786 5.645 6.587 430 HE3 LYS 54 HE3 LYS 54 9.400 4.086 7.160 431 HZ1 LYS 54 HZ1 LYS 54 10.314 6.743 8.032 432 HZ2 LYS 54 HZ2 LYS 54 11.013 5.337 8.505 433 HZ3 LYS 54 HZ3 LYS 54 9.458 5.639 8.921 434 HA PRO 55 HA PRO 55 9.588 -1.595 2.510 435 HB2 PRO 55 HB2 PRO 55 12.008 -2.636 3.309 436 HB3 PRO 55 HB3 PRO 55 11.802 -1.754 1.768 437 HG2 PRO 55 HG2 PRO 55 12.783 -0.629 4.399 438 HG3 PRO 55 HG3 PRO 55 13.548 -0.506 2.774 439 HD2 PRO 55 HD2 PRO 55 11.978 1.501 3.698 440 HD3 PRO 55 HD3 PRO 55 11.857 0.976 1.997 441 H ARG 56 HN ARG 56 9.735 -3.645 3.942 442 HA ARG 56 HA ARG 56 10.217 -3.081 6.744 443 HB2 ARG 56 HB2 ARG 56 7.498 -3.690 5.736 444 HB3 ARG 56 HB3 ARG 56 8.022 -4.824 6.959 445 HG2 ARG 56 HG2 ARG 56 8.772 -2.691 8.317 446 HG3 ARG 56 HG3 ARG 56 7.674 -1.837 7.210 447 HD2 ARG 56 HD2 ARG 56 5.934 -3.582 7.847 448 HD3 ARG 56 HD3 ARG 56 7.042 -4.145 9.099 449 HE ARG 56 HE ARG 56 6.660 -1.333 9.391 450 HH11 ARG 56 HH11 ARG 56 5.059 -4.443 10.152 451 HH12 ARG 56 HH12 ARG 56 3.867 -3.729 11.156 452 HH21 ARG 56 HH21 ARG 56 5.035 -0.408 10.826 453 HH22 ARG 56 HH22 ARG 56 3.919 -1.465 11.596 454 H VAL 57 HN VAL 57 9.663 -5.552 7.727 455 HA VAL 57 HA VAL 57 10.426 -7.669 5.968 456 HB VAL 57 HB VAL 57 12.008 -7.209 8.558 457 HG11 VAL 57 HG11 VAL 57 11.388 -9.587 8.205 458 HG12 VAL 57 HG12 VAL 57 12.099 -9.502 6.568 459 HG13 VAL 57 HG13 VAL 57 13.123 -9.334 8.011 460 HG21 VAL 57 HG21 VAL 57 13.037 -5.917 6.750 461 HG22 VAL 57 HG22 VAL 57 14.029 -7.332 7.081 462 HG23 VAL 57 HG23 VAL 57 12.963 -7.327 5.660 463 H ILE 58 HN ILE 58 8.599 -8.791 6.216 464 HA ILE 58 HA ILE 58 7.285 -9.086 8.881 465 HB ILE 58 HB ILE 58 6.018 -9.149 6.094 466 HG12 ILE 58 HG12 ILE 58 6.639 -6.817 6.712 467 HG13 ILE 58 HG13 ILE 58 4.932 -7.092 6.494 468 HG21 ILE 58 HG21 ILE 58 4.778 -9.458 8.846 469 HG22 ILE 58 HG22 ILE 58 3.856 -9.177 7.358 470 HG23 ILE 58 HG23 ILE 58 4.831 -10.639 7.532 471 HD11 ILE 58 HD11 ILE 58 5.287 -5.642 8.401 472 HD12 ILE 58 HD12 ILE 58 4.615 -7.158 8.977 473 HD13 ILE 58 HD13 ILE 58 6.354 -6.830 9.181 474 H GLU 59 HN GLU 59 7.941 -11.133 9.522 475 HA GLU 59 HA GLU 59 8.686 -13.275 9.434 476 HB2 GLU 59 HB2 GLU 59 6.717 -13.573 7.140 477 HB3 GLU 59 HB3 GLU 59 7.348 -14.846 8.180 478 HG2 GLU 59 HG2 GLU 59 6.300 -13.363 10.101 479 HG3 GLU 59 HG3 GLU 59 5.299 -12.736 8.792 480 H GLY 60 HN GLY 60 10.058 -11.306 7.633 481 HA2 GLY 60 HA2 GLY 60 12.210 -11.669 6.625 482 HA3 GLY 60 HA1 GLY 60 11.667 -13.216 6.011 483 H VAL 61 HN VAL 61 9.008 -11.690 5.245 484 HA VAL 61 HA VAL 61 9.799 -11.248 2.496 485 HB VAL 61 HB VAL 61 7.112 -10.783 3.874 486 HG11 VAL 61 HG11 VAL 61 7.742 -11.355 0.955 487 HG12 VAL 61 HG12 VAL 61 6.162 -11.076 1.703 488 HG13 VAL 61 HG13 VAL 61 7.327 -9.759 1.628 489 HG21 VAL 61 HG21 VAL 61 6.588 -13.065 2.882 490 HG22 VAL 61 HG22 VAL 61 8.328 -13.274 2.613 491 HG23 VAL 61 HG23 VAL 61 7.680 -13.066 4.274 492 H ARG 62 HN ARG 62 10.015 -9.334 1.480 493 HA ARG 62 HA ARG 62 10.927 -7.109 2.954 494 HB2 ARG 62 HB2 ARG 62 10.037 -7.166 0.042 495 HB3 ARG 62 HB3 ARG 62 11.170 -6.020 0.750 496 HG2 ARG 62 HG2 ARG 62 11.770 -9.000 0.707 497 HG3 ARG 62 HG3 ARG 62 11.998 -8.019 -0.730 498 HD2 ARG 62 HD2 ARG 62 14.031 -8.452 0.746 499 HD3 ARG 62 HD3 ARG 62 13.733 -6.807 0.162 500 HE ARG 62 HE ARG 62 12.624 -7.396 2.809 501 HH11 ARG 62 HH11 ARG 62 15.632 -6.516 1.248 502 HH12 ARG 62 HH12 ARG 62 15.917 -5.079 2.180 503 HH21 ARG 62 HH21 ARG 62 12.946 -5.478 4.193 504 HH22 ARG 62 HH22 ARG 62 14.470 -4.677 4.046 505 H CYS 63 HN CYS 63 8.129 -6.933 0.744 506 HA CYS 63 HA CYS 63 6.160 -5.856 0.905 507 HB2 CYS 63 HB2 CYS 63 6.457 -5.475 3.892 508 HB3 CYS 63 HB3 CYS 63 4.994 -5.678 2.933 509 HG CYS 63 HG CYS 63 7.272 -7.812 3.945 510 H LEU 64 HN LEU 64 5.156 -3.676 1.540 511 HA LEU 64 HA LEU 64 7.191 -1.517 1.689 512 HB2 LEU 64 HB2 LEU 64 6.169 -2.459 -0.689 513 HB3 LEU 64 HB3 LEU 64 4.931 -1.306 -0.283 514 HG LEU 64 HG LEU 64 7.722 -0.976 -1.210 515 HD11 LEU 64 HD11 LEU 64 5.782 -0.562 -2.649 516 HD12 LEU 64 HD12 LEU 64 6.703 0.931 -2.412 517 HD13 LEU 64 HD13 LEU 64 5.191 0.685 -1.530 518 HD21 LEU 64 HD21 LEU 64 8.209 0.183 0.761 519 HD22 LEU 64 HD22 LEU 64 6.656 1.064 0.738 520 HD23 LEU 64 HD23 LEU 64 7.911 1.382 -0.496 521 H ALA 65 HN ALA 65 6.526 -0.272 3.367 522 HA ALA 65 HA ALA 65 3.753 -0.294 4.388 523 HB1 ALA 65 HB1 ALA 65 6.289 1.105 5.343 524 HB2 ALA 65 HB2 ALA 65 4.708 1.168 6.142 525 HB3 ALA 65 HB3 ALA 65 5.576 -0.378 6.029 526 H VAL 66 HN VAL 66 2.288 1.412 3.643 527 HA VAL 66 HA VAL 66 3.591 3.719 2.263 528 HB VAL 66 HB VAL 66 1.136 2.230 1.340 529 HG11 VAL 66 HG11 VAL 66 1.125 4.697 0.855 530 HG12 VAL 66 HG12 VAL 66 2.729 4.536 0.119 531 HG13 VAL 66 HG13 VAL 66 1.321 3.718 -0.602 532 HG21 VAL 66 HG21 VAL 66 4.058 2.125 0.642 533 HG22 VAL 66 HG22 VAL 66 2.901 0.806 0.862 534 HG23 VAL 66 HG23 VAL 66 2.843 1.818 -0.579 535 H ASP 67 HN ASP 67 3.223 5.615 3.285 536 HA ASP 67 HA ASP 67 1.341 5.759 5.512 537 HB2 ASP 67 HB2 ASP 67 3.603 6.910 5.356 538 HB3 ASP 67 HB3 ASP 67 2.886 7.995 4.160 539 H LEU 68 HN LEU 68 -0.799 6.447 5.409 540 HA LEU 68 HA LEU 68 -1.909 6.752 2.819 541 HB2 LEU 68 HB2 LEU 68 -2.955 6.406 5.472 542 HB3 LEU 68 HB3 LEU 68 -3.776 7.787 4.786 543 HG LEU 68 HG LEU 68 -3.456 5.051 3.553 544 HD11 LEU 68 HD11 LEU 68 -5.897 6.399 4.810 545 HD12 LEU 68 HD12 LEU 68 -5.013 5.007 5.460 546 HD13 LEU 68 HD13 LEU 68 -5.925 4.836 3.971 547 HD21 LEU 68 HD21 LEU 68 -3.756 6.706 1.735 548 HD22 LEU 68 HD22 LEU 68 -5.088 7.463 2.619 549 HD23 LEU 68 HD23 LEU 68 -5.258 5.805 1.989 550 H LYS 69 HN LYS 69 -0.529 9.131 4.952 551 HA LYS 69 HA LYS 69 -2.120 11.388 4.237 552 HB2 LYS 69 HB2 LYS 69 -0.457 11.200 6.120 553 HB3 LYS 69 HB3 LYS 69 0.842 11.352 4.917 554 HG2 LYS 69 HG2 LYS 69 -1.362 13.429 4.986 555 HG3 LYS 69 HG3 LYS 69 -0.194 13.448 6.301 556 HD2 LYS 69 HD2 LYS 69 1.423 14.399 5.059 557 HD3 LYS 69 HD3 LYS 69 1.177 13.284 3.723 558 HE2 LYS 69 HE2 LYS 69 0.819 15.566 2.985 559 HE3 LYS 69 HE3 LYS 69 -0.650 14.604 2.839 560 HZ1 LYS 69 HZ1 LYS 69 -0.101 16.603 4.941 561 HZ2 LYS 69 HZ2 LYS 69 -1.426 15.636 4.911 562 HZ3 LYS 69 HZ3 LYS 69 -1.219 16.679 3.692 563 H LEU 70 HN LEU 70 0.312 9.641 2.396 564 HA LEU 70 HA LEU 70 0.996 11.620 0.486 565 HB2 LEU 70 HB2 LEU 70 2.168 9.565 0.516 566 HB3 LEU 70 HB3 LEU 70 0.694 8.639 0.414 567 HG LEU 70 HG LEU 70 0.388 9.498 -1.971 568 HD11 LEU 70 HD11 LEU 70 3.220 10.587 -1.577 569 HD12 LEU 70 HD12 LEU 70 1.759 11.571 -1.777 570 HD13 LEU 70 HD13 LEU 70 2.301 10.544 -3.101 571 HD21 LEU 70 HD21 LEU 70 2.094 8.070 -2.961 572 HD22 LEU 70 HD22 LEU 70 1.367 7.310 -1.538 573 HD23 LEU 70 HD23 LEU 70 2.986 8.031 -1.416 574 H LYS 71 HN LYS 71 -2.116 9.949 0.997 575 HA LYS 71 HA LYS 71 -3.066 10.344 -1.725 576 HB2 LYS 71 HB2 LYS 71 -3.804 8.487 -0.126 577 HB3 LYS 71 HB3 LYS 71 -4.572 9.722 0.863 578 HG2 LYS 71 HG2 LYS 71 -6.334 8.834 -0.322 579 HG3 LYS 71 HG3 LYS 71 -5.997 10.295 -1.213 580 HD2 LYS 71 HD2 LYS 71 -4.699 8.888 -2.860 581 HD3 LYS 71 HD3 LYS 71 -5.225 7.450 -1.983 582 HE2 LYS 71 HE2 LYS 71 -7.531 7.865 -2.477 583 HE3 LYS 71 HE3 LYS 71 -7.186 9.517 -3.000 584 HZ1 LYS 71 HZ1 LYS 71 -7.445 8.423 -4.973 585 HZ2 LYS 71 HZ2 LYS 71 -6.788 7.035 -4.502 586 HZ3 LYS 71 HZ3 LYS 71 -5.819 8.350 -4.847 587 H ASP 72 HN ASP 72 -2.886 12.358 1.159 588 HA ASP 72 HA ASP 72 -4.936 14.268 0.344 589 HB2 ASP 72 HB2 ASP 72 -4.249 14.348 2.611 590 HB3 ASP 72 HB3 ASP 72 -2.553 14.336 2.201 591 H THR 73 HN THR 73 -1.361 14.173 0.150 592 HA THR 73 HA THR 73 -1.363 16.641 -1.306 593 HB THR 73 HB THR 73 0.207 15.841 0.491 594 HG1 THR 73 HG1 THR 73 0.693 17.616 -0.619 595 HG21 THR 73 HG21 THR 73 1.599 14.317 -1.741 596 HG22 THR 73 HG22 THR 73 0.740 13.608 -0.352 597 HG23 THR 73 HG23 THR 73 2.200 14.563 -0.098 598 H ASN 74 HN ASN 74 -1.105 13.253 -2.308 599 HA ASN 74 HA ASN 74 -1.325 14.010 -5.128 600 HB2 ASN 74 HB2 ASN 74 1.049 13.976 -5.000 601 HB3 ASN 74 HB3 ASN 74 1.045 12.519 -3.992 602 HD21 ASN 74 HD21 ASN 74 2.591 11.852 -5.713 603 HD22 ASN 74 HD22 ASN 74 1.971 10.904 -7.040 604 HA PRO 75 HA PRO 75 -3.831 10.501 -3.661 605 HB2 PRO 75 HB2 PRO 75 -6.128 11.057 -5.177 606 HB3 PRO 75 HB3 PRO 75 -5.799 11.686 -3.540 607 HG2 PRO 75 HG2 PRO 75 -5.258 13.025 -6.191 608 HG3 PRO 75 HG3 PRO 75 -6.023 13.717 -4.728 609 HD2 PRO 75 HD2 PRO 75 -3.414 14.157 -5.264 610 HD3 PRO 75 HD3 PRO 75 -3.941 13.841 -3.592 611 H GLU 76 HN GLU 76 -3.030 11.601 -6.889 612 HA GLU 76 HA GLU 76 -3.808 9.321 -8.443 613 HB2 GLU 76 HB2 GLU 76 -3.033 11.719 -9.161 614 HB3 GLU 76 HB3 GLU 76 -1.401 11.124 -8.874 615 HG2 GLU 76 HG2 GLU 76 -2.211 9.154 -10.484 616 HG3 GLU 76 HG3 GLU 76 -3.333 10.399 -11.032 617 H GLY 77 HN GLY 77 -0.792 10.224 -6.681 618 HA2 GLY 77 HA2 GLY 77 0.779 8.055 -7.519 619 HA3 GLY 77 HA1 GLY 77 1.037 8.999 -6.039 620 H PHE 78 HN PHE 78 -1.135 8.425 -4.479 621 HA PHE 78 HA PHE 78 -0.540 5.804 -3.491 622 HB2 PHE 78 HB2 PHE 78 -1.498 7.744 -2.200 623 HB3 PHE 78 HB3 PHE 78 -3.024 7.474 -3.021 624 HD1 PHE 78 HD1 PHE 78 -4.252 5.232 -2.655 625 HD2 PHE 78 HD2 PHE 78 -0.879 6.480 -0.258 626 HE1 PHE 78 HE1 PHE 78 -4.848 3.565 -0.940 627 HE2 PHE 78 HE2 PHE 78 -1.465 4.776 1.438 628 HZ PHE 78 HZ PHE 78 -3.455 3.296 1.096 629 H ASN 79 HN ASN 79 -3.111 6.999 -5.652 630 HA ASN 79 HA ASN 79 -4.663 4.612 -5.927 631 HB2 ASN 79 HB2 ASN 79 -5.568 6.678 -6.588 632 HB3 ASN 79 HB3 ASN 79 -4.214 7.121 -7.550 633 HD21 ASN 79 HD21 ASN 79 -3.908 6.125 -9.687 634 HD22 ASN 79 HD22 ASN 79 -5.274 5.417 -10.469 635 H GLN 80 HN GLN 80 -2.044 5.917 -8.007 636 HA GLN 80 HA GLN 80 -1.687 3.787 -9.801 637 HB2 GLN 80 HB2 GLN 80 0.254 5.747 -8.524 638 HB3 GLN 80 HB3 GLN 80 0.811 4.430 -9.525 639 HG2 GLN 80 HG2 GLN 80 -0.598 5.287 -11.401 640 HG3 GLN 80 HG3 GLN 80 -0.970 6.710 -10.417 641 HE21 GLN 80 HE21 GLN 80 0.333 8.437 -11.431 642 HE22 GLN 80 HE22 GLN 80 2.029 8.204 -11.709 643 H LEU 81 HN LEU 81 -0.287 4.223 -6.522 644 HA LEU 81 HA LEU 81 1.321 1.936 -6.521 645 HB2 LEU 81 HB2 LEU 81 0.928 3.990 -4.806 646 HB3 LEU 81 HB3 LEU 81 -0.014 2.784 -3.946 647 HG LEU 81 HG LEU 81 2.626 1.762 -4.877 648 HD11 LEU 81 HD11 LEU 81 2.616 3.921 -2.743 649 HD12 LEU 81 HD12 LEU 81 3.242 4.106 -4.391 650 HD13 LEU 81 HD13 LEU 81 3.989 2.932 -3.320 651 HD21 LEU 81 HD21 LEU 81 1.365 1.894 -2.117 652 HD22 LEU 81 HD22 LEU 81 2.781 0.931 -2.611 653 HD23 LEU 81 HD23 LEU 81 1.168 0.552 -3.265 654 H MET 82 HN MET 82 -2.013 2.354 -5.492 655 HA MET 82 HA MET 82 -2.395 -0.299 -4.545 656 HB2 MET 82 HB2 MET 82 -4.371 1.811 -5.538 657 HB3 MET 82 HB3 MET 82 -4.899 0.219 -4.986 658 HG2 MET 82 HG2 MET 82 -3.246 2.160 -3.350 659 HG3 MET 82 HG3 MET 82 -4.972 1.865 -3.141 660 HE1 MET 82 HE1 MET 82 -4.004 1.444 -0.449 661 HE2 MET 82 HE2 MET 82 -2.656 0.311 -0.209 662 HE3 MET 82 HE3 MET 82 -2.409 1.745 -1.225 663 H HIS 83 HN HIS 83 -2.927 1.099 -7.820 664 HA HIS 83 HA HIS 83 -4.042 -1.194 -8.961 665 HB2 HIS 83 HB2 HIS 83 -3.730 1.090 -10.063 666 HB3 HIS 83 HB3 HIS 83 -2.074 0.634 -10.398 667 HD1 HIS 83 HD1 HIS 83 -2.369 0.467 -13.094 668 HD2 HIS 83 HD2 HIS 83 -4.793 -2.095 -10.793 669 HE1 HIS 83 HE1 HIS 83 -3.598 -1.008 -14.722 670 H PHE 84 HN PHE 84 -0.615 -0.401 -8.477 671 HA PHE 84 HA PHE 84 0.559 -2.565 -9.859 672 HB2 PHE 84 HB2 PHE 84 1.810 -0.673 -8.898 673 HB3 PHE 84 HB3 PHE 84 1.470 -1.249 -7.274 674 HD1 PHE 84 HD2 PHE 84 2.590 -3.262 -6.354 675 HD2 PHE 84 HD1 PHE 84 3.427 -1.794 -10.314 676 HE1 PHE 84 HE2 PHE 84 4.634 -4.654 -6.431 677 HE2 PHE 84 HE1 PHE 84 5.476 -3.185 -10.398 678 HZ PHE 84 HZ PHE 84 6.063 -4.661 -8.455 679 H ALA 85 HN ALA 85 -0.888 -2.518 -6.560 680 HA ALA 85 HA ALA 85 0.148 -5.139 -5.872 681 HB1 ALA 85 HB1 ALA 85 -0.432 -3.447 -4.158 682 HB2 ALA 85 HB2 ALA 85 -2.135 -3.528 -4.661 683 HB3 ALA 85 HB3 ALA 85 -1.350 -4.955 -3.949 684 H THR 86 HN THR 86 -2.825 -3.934 -7.495 685 HA THR 86 HA THR 86 -4.192 -6.452 -7.485 686 HB THR 86 HB THR 86 -4.461 -4.353 -9.663 687 HG1 THR 86 HG1 THR 86 -5.966 -3.353 -8.170 688 HG21 THR 86 HG21 THR 86 -5.878 -6.443 -9.662 689 HG22 THR 86 HG22 THR 86 -6.798 -4.938 -9.562 690 HG23 THR 86 HG23 THR 86 -6.555 -5.930 -8.102 691 H GLU 87 HN GLU 87 -2.178 -4.731 -9.950 692 HA GLU 87 HA GLU 87 -2.279 -6.707 -11.945 693 HB2 GLU 87 HB2 GLU 87 -0.324 -4.466 -11.165 694 HB3 GLU 87 HB3 GLU 87 -0.095 -5.401 -12.642 695 HG2 GLU 87 HG2 GLU 87 -2.624 -3.834 -12.028 696 HG3 GLU 87 HG3 GLU 87 -1.234 -3.128 -12.869 697 H ASN 88 HN ASN 88 0.124 -6.240 -9.328 698 HA ASN 88 HA ASN 88 1.645 -8.549 -10.320 699 HB2 ASN 88 HB2 ASN 88 2.209 -6.594 -8.053 700 HB3 ASN 88 HB3 ASN 88 3.221 -7.979 -8.460 701 HD21 ASN 88 HD21 ASN 88 1.885 -4.954 -9.847 702 HD22 ASN 88 HD22 ASN 88 3.006 -4.900 -11.215 703 H GLN 89 HN GLN 89 -1.109 -8.220 -8.554 704 HA GLN 89 HA GLN 89 -2.178 -9.315 -6.991 705 HB2 GLN 89 HB2 GLN 89 -1.773 -11.944 -7.394 706 HB3 GLN 89 HB3 GLN 89 -2.951 -10.904 -8.178 707 HG2 GLN 89 HG2 GLN 89 -0.969 -10.615 -9.941 708 HG3 GLN 89 HG3 GLN 89 -0.336 -12.066 -9.157 709 HE21 GLN 89 HE21 GLN 89 -3.169 -10.610 -10.846 710 HE22 GLN 89 HE22 GLN 89 -3.790 -12.068 -11.500 711 H LEU 90 HN LEU 90 -0.666 -8.215 -5.634 712 HA LEU 90 HA LEU 90 0.956 -9.961 -3.846 713 HB2 LEU 90 HB2 LEU 90 0.740 -6.935 -4.064 714 HB3 LEU 90 HB3 LEU 90 1.691 -7.793 -2.857 715 HG LEU 90 HG LEU 90 2.132 -8.031 -5.870 716 HD11 LEU 90 HD11 LEU 90 4.190 -6.712 -5.433 717 HD12 LEU 90 HD12 LEU 90 3.729 -6.538 -3.731 718 HD13 LEU 90 HD13 LEU 90 2.749 -5.781 -4.998 719 HD21 LEU 90 HD21 LEU 90 2.841 -10.054 -4.846 720 HD22 LEU 90 HD22 LEU 90 3.712 -9.164 -3.556 721 HD23 LEU 90 HD23 LEU 90 4.247 -9.087 -5.255 722 H ASN 91 HN ASN 91 0.446 -10.075 -1.650 723 HA ASN 91 HA ASN 91 -2.390 -9.649 -1.015 724 HB2 ASN 91 HB2 ASN 91 -0.711 -11.428 0.030 725 HB3 ASN 91 HB3 ASN 91 -0.225 -10.083 1.061 726 HD21 ASN 91 HD21 ASN 91 -1.104 -12.037 2.453 727 HD22 ASN 91 HD22 ASN 91 -2.822 -12.087 2.793 728 H ILE 92 HN ILE 92 -3.071 -8.008 0.634 729 HA ILE 92 HA ILE 92 -1.083 -5.832 1.002 730 HB ILE 92 HB ILE 92 -3.996 -5.291 0.453 731 HG12 ILE 92 HG12 ILE 92 -1.644 -4.836 -1.445 732 HG13 ILE 92 HG13 ILE 92 -2.877 -6.090 -1.636 733 HG21 ILE 92 HG21 ILE 92 -2.986 -3.659 1.921 734 HG22 ILE 92 HG22 ILE 92 -1.488 -3.622 0.985 735 HG23 ILE 92 HG23 ILE 92 -2.967 -2.905 0.337 736 HD11 ILE 92 HD11 ILE 92 -3.614 -4.384 -3.050 737 HD12 ILE 92 HD12 ILE 92 -4.627 -4.230 -1.609 738 HD13 ILE 92 HD13 ILE 92 -3.268 -3.108 -1.869 739 H LEU 93 HN LEU 93 -0.790 -5.559 3.101 740 HA LEU 93 HA LEU 93 -2.759 -6.618 5.000 741 HB2 LEU 93 HB2 LEU 93 0.096 -5.690 5.388 742 HB3 LEU 93 HB3 LEU 93 -0.960 -6.357 6.630 743 HG LEU 93 HG LEU 93 0.296 -7.675 4.315 744 HD11 LEU 93 HD11 LEU 93 0.652 -8.205 7.257 745 HD12 LEU 93 HD12 LEU 93 1.754 -7.302 6.189 746 HD13 LEU 93 HD13 LEU 93 1.497 -9.036 5.946 747 HD21 LEU 93 HD21 LEU 93 -1.806 -8.774 4.343 748 HD22 LEU 93 HD22 LEU 93 -1.746 -8.985 6.097 749 HD23 LEU 93 HD23 LEU 93 -0.631 -9.887 5.043 750 H ASP 94 HN ASP 94 -2.758 -5.315 6.864 751 HA ASP 94 HA ASP 94 -2.899 -2.361 6.376 752 HB2 ASP 94 HB2 ASP 94 -4.579 -2.089 7.992 753 HB3 ASP 94 HB3 ASP 94 -5.089 -3.390 6.942 754 H ALA 95 HN ALA 95 -2.938 -1.373 8.857 755 HA ALA 95 HA ALA 95 -0.173 -1.228 9.466 756 HB1 ALA 95 HB1 ALA 95 -2.575 -0.317 11.116 757 HB2 ALA 95 HB2 ALA 95 -0.909 0.259 11.302 758 HB3 ALA 95 HB3 ALA 95 -1.798 0.623 9.817 759 H GLU 96 HN GLU 96 -2.697 -3.338 10.835 760 HA GLU 96 HA GLU 96 -1.120 -4.111 13.196 761 HB2 GLU 96 HB2 GLU 96 -3.532 -5.322 11.813 762 HB3 GLU 96 HB3 GLU 96 -2.809 -5.974 13.257 763 HG2 GLU 96 HG2 GLU 96 -3.974 -3.175 13.081 764 HG3 GLU 96 HG3 GLU 96 -4.892 -4.593 13.602 765 H GLY 97 HN GLY 97 -2.011 -5.192 9.955 766 HA2 GLY 97 HA2 GLY 97 -0.333 -6.347 8.559 767 HA3 GLY 97 HA1 GLY 97 0.021 -7.412 9.886 768 H ASN 98 HN ASN 98 -3.340 -6.373 9.511 769 HA ASN 98 HA ASN 98 -4.252 -9.123 9.052 770 HB2 ASN 98 HB2 ASN 98 -5.831 -6.526 8.836 771 HB3 ASN 98 HB3 ASN 98 -6.467 -8.131 9.003 772 HD21 ASN 98 HD21 ASN 98 -5.859 -5.323 10.651 773 HD22 ASN 98 HD22 ASN 98 -5.968 -5.963 12.285 774 H SER 99 HN SER 99 -4.849 -9.916 6.940 775 HA SER 99 HA SER 99 -4.110 -8.339 4.611 776 HB2 SER 99 HB2 SER 99 -5.315 -10.255 3.398 777 HB3 SER 99 HB3 SER 99 -3.844 -10.617 4.307 778 HG SER 99 HG SER 99 -6.481 -10.974 5.292 779 H ILE 100 HN ILE 100 -5.375 -6.969 3.393 780 HA ILE 100 HA ILE 100 -8.288 -6.787 3.930 781 HB ILE 100 HB ILE 100 -7.937 -4.261 3.853 782 HG12 ILE 100 HG12 ILE 100 -5.195 -4.745 5.029 783 HG13 ILE 100 HG13 ILE 100 -5.353 -4.623 3.291 784 HG21 ILE 100 HG21 ILE 100 -7.670 -4.068 6.251 785 HG22 ILE 100 HG22 ILE 100 -8.681 -5.448 5.848 786 HG23 ILE 100 HG23 ILE 100 -6.981 -5.704 6.351 787 HD11 ILE 100 HD11 ILE 100 -6.423 -2.416 3.484 788 HD12 ILE 100 HD12 ILE 100 -6.273 -2.474 5.246 789 HD13 ILE 100 HD13 ILE 100 -4.814 -2.440 4.231 790 H ASP 101 HN ASP 101 -9.448 -5.620 2.342 791 HA ASP 101 HA ASP 101 -8.391 -5.836 -0.407 792 HB2 ASP 101 HB2 ASP 101 -11.022 -4.983 0.744 793 HB3 ASP 101 HB3 ASP 101 -10.625 -4.521 -0.880 794 H ALA 102 HN ALA 102 -8.310 -3.987 -1.737 795 HA ALA 102 HA ALA 102 -7.130 -1.586 -0.394 796 HB1 ALA 102 HB1 ALA 102 -7.533 -2.099 -3.359 797 HB2 ALA 102 HB2 ALA 102 -6.601 -0.785 -2.620 798 HB3 ALA 102 HB3 ALA 102 -6.051 -2.457 -2.434 799 H ALA 103 HN ALA 103 -10.135 -2.589 -1.809 800 HA ALA 103 HA ALA 103 -11.424 -0.145 -2.357 801 HB1 ALA 103 HB1 ALA 103 -12.533 -2.742 -1.188 802 HB2 ALA 103 HB2 ALA 103 -13.489 -1.460 -1.959 803 HB3 ALA 103 HB3 ALA 103 -12.329 -2.390 -2.929 804 H GLN 104 HN GLN 104 -10.497 -1.555 0.725 805 HA GLN 104 HA GLN 104 -12.303 0.153 2.287 806 HB2 GLN 104 HB2 GLN 104 -10.255 -1.984 3.055 807 HB3 GLN 104 HB3 GLN 104 -11.341 -1.144 4.175 808 HG2 GLN 104 HG2 GLN 104 -13.057 -2.117 2.152 809 HG3 GLN 104 HG3 GLN 104 -11.858 -3.400 2.367 810 HE21 GLN 104 HE21 GLN 104 -11.584 -4.257 4.534 811 HE22 GLN 104 HE22 GLN 104 -12.886 -4.214 5.697 812 H VAL 105 HN VAL 105 -9.501 0.821 0.684 813 HA VAL 105 HA VAL 105 -8.370 2.521 2.859 814 HB VAL 105 HB VAL 105 -6.921 1.083 0.610 815 HG11 VAL 105 HG11 VAL 105 -5.843 2.675 2.976 816 HG12 VAL 105 HG12 VAL 105 -4.884 1.740 1.809 817 HG13 VAL 105 HG13 VAL 105 -5.793 3.158 1.261 818 HG21 VAL 105 HG21 VAL 105 -7.125 0.473 3.589 819 HG22 VAL 105 HG22 VAL 105 -7.627 -0.571 2.224 820 HG23 VAL 105 HG23 VAL 105 -5.925 -0.224 2.491 821 H THR 106 HN THR 106 -9.138 2.316 -0.668 822 HA THR 106 HA THR 106 -8.226 5.031 -1.111 823 HB THR 106 HB THR 106 -9.371 4.530 -3.379 824 HG1 THR 106 HG1 THR 106 -10.423 2.590 -2.550 825 HG21 THR 106 HG21 THR 106 -6.936 4.687 -3.019 826 HG22 THR 106 HG22 THR 106 -7.314 3.337 -4.088 827 HG23 THR 106 HG23 THR 106 -6.908 3.020 -2.389 828 H GLU 107 HN GLU 107 -10.633 4.270 0.808 829 HA GLU 107 HA GLU 107 -12.341 6.551 0.019 830 HB2 GLU 107 HB2 GLU 107 -14.247 5.294 0.627 831 HB3 GLU 107 HB3 GLU 107 -13.353 4.386 -0.575 832 HG2 GLU 107 HG2 GLU 107 -12.476 2.884 1.218 833 HG3 GLU 107 HG3 GLU 107 -13.357 3.831 2.432 834 H ILE 108 HN ILE 108 -10.097 5.969 2.156 835 HA ILE 108 HA ILE 108 -11.399 6.100 4.702 836 HB ILE 108 HB ILE 108 -8.589 6.768 3.830 837 HG12 ILE 108 HG12 ILE 108 -9.108 4.421 3.582 838 HG13 ILE 108 HG13 ILE 108 -8.064 4.646 4.969 839 HG21 ILE 108 HG21 ILE 108 -7.983 6.632 6.236 840 HG22 ILE 108 HG22 ILE 108 -9.009 8.015 5.841 841 HG23 ILE 108 HG23 ILE 108 -9.709 6.608 6.655 842 HD11 ILE 108 HD11 ILE 108 -11.002 3.925 4.975 843 HD12 ILE 108 HD12 ILE 108 -9.614 2.991 5.544 844 HD13 ILE 108 HD13 ILE 108 -10.121 4.421 6.448 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -29.307 -0.939 -0.231 2 HA2 GLY 1 HA2 GLY 1 -28.239 -2.641 1.210 3 HA3 GLY 1 HA1 GLY 1 -28.684 -3.287 -0.381 4 H MET 2 HN MET 2 -25.973 -2.044 1.598 5 HA MET 2 HA MET 2 -24.146 -3.844 0.153 6 HB2 MET 2 HB2 MET 2 -23.507 -0.917 0.741 7 HB3 MET 2 HB3 MET 2 -22.352 -2.135 0.224 8 HG2 MET 2 HG2 MET 2 -22.705 -1.345 -1.814 9 HG3 MET 2 HG3 MET 2 -24.084 -2.429 -1.794 10 HE1 MET 2 HE1 MET 2 -23.466 1.171 -0.117 11 HE2 MET 2 HE2 MET 2 -22.645 1.063 -1.695 12 HE3 MET 2 HE3 MET 2 -24.007 2.157 -1.473 13 H GLY 3 HN GLY 3 -21.970 -3.660 1.523 14 HA2 GLY 3 HA2 GLY 3 -22.489 -3.608 4.451 15 HA3 GLY 3 HA1 GLY 3 -21.395 -4.766 3.660 16 H THR 4 HN THR 4 -19.754 -3.695 5.081 17 HA THR 4 HA THR 4 -18.192 -2.137 5.652 18 HB THR 4 HB THR 4 -16.882 -1.432 3.437 19 HG1 THR 4 HG1 THR 4 -18.390 -2.135 1.978 20 HG21 THR 4 HG21 THR 4 -16.059 -2.925 5.176 21 HG22 THR 4 HG22 THR 4 -15.749 -3.592 3.566 22 HG23 THR 4 HG23 THR 4 -17.076 -4.250 4.564 23 H THR 5 HN THR 5 -19.960 -0.762 6.431 24 HA THR 5 HA THR 5 -19.723 1.939 5.222 25 HB THR 5 HB THR 5 -21.926 2.304 6.511 26 HG1 THR 5 HG1 THR 5 -22.621 -0.303 5.940 27 HG21 THR 5 HG21 THR 5 -21.862 0.616 3.988 28 HG22 THR 5 HG22 THR 5 -21.748 2.384 4.106 29 HG23 THR 5 HG23 THR 5 -23.252 1.566 4.567 30 H GLU 6 HN GLU 6 -17.880 0.576 7.009 31 HA GLU 6 HA GLU 6 -17.850 2.662 9.101 32 HB2 GLU 6 HB2 GLU 6 -17.010 -0.233 9.457 33 HB3 GLU 6 HB3 GLU 6 -16.466 1.080 10.505 34 HG2 GLU 6 HG2 GLU 6 -18.730 1.581 11.214 35 HG3 GLU 6 HG3 GLU 6 -19.401 0.434 10.046 36 H LYS 7 HN LYS 7 -16.679 3.998 7.825 37 HA LYS 7 HA LYS 7 -14.278 3.614 6.397 38 HB2 LYS 7 HB2 LYS 7 -13.838 5.932 6.967 39 HB3 LYS 7 HB3 LYS 7 -15.542 5.725 6.563 40 HG2 LYS 7 HG2 LYS 7 -15.882 5.538 9.183 41 HG3 LYS 7 HG3 LYS 7 -14.271 6.240 9.281 42 HD2 LYS 7 HD2 LYS 7 -14.975 8.196 8.072 43 HD3 LYS 7 HD3 LYS 7 -16.585 7.531 7.760 44 HE2 LYS 7 HE2 LYS 7 -15.444 8.060 10.540 45 HE3 LYS 7 HE3 LYS 7 -16.429 9.228 9.651 46 HZ1 LYS 7 HZ1 LYS 7 -18.272 7.688 9.704 47 HZ2 LYS 7 HZ2 LYS 7 -17.711 7.884 11.235 48 HZ3 LYS 7 HZ3 LYS 7 -17.371 6.521 10.401 49 H SER 8 HN SER 8 -12.266 3.001 6.978 50 HA SER 8 HA SER 8 -11.769 2.151 9.710 51 HB2 SER 8 HB2 SER 8 -9.598 1.403 8.743 52 HB3 SER 8 HB3 SER 8 -11.024 0.808 7.881 53 HG SER 8 HG SER 8 -10.699 2.306 6.270 54 H GLY 9 HN GLY 9 -9.300 2.745 10.451 55 HA2 GLY 9 HA2 GLY 9 -9.002 5.706 10.325 56 HA3 GLY 9 HA1 GLY 9 -8.633 4.760 11.780 57 H ILE 10 HN ILE 10 -7.817 3.246 8.942 58 HA ILE 10 HA ILE 10 -5.070 2.994 9.476 59 HB ILE 10 HB ILE 10 -6.827 2.366 7.065 60 HG12 ILE 10 HG12 ILE 10 -5.482 0.524 9.097 61 HG13 ILE 10 HG13 ILE 10 -7.097 1.162 9.343 62 HG21 ILE 10 HG21 ILE 10 -4.489 2.636 6.240 63 HG22 ILE 10 HG22 ILE 10 -3.940 1.492 7.494 64 HG23 ILE 10 HG23 ILE 10 -5.002 0.960 6.180 65 HD11 ILE 10 HD11 ILE 10 -6.366 -0.602 6.984 66 HD12 ILE 10 HD12 ILE 10 -7.116 -1.136 8.493 67 HD13 ILE 10 HD13 ILE 10 -7.975 0.000 7.453 68 H LYS 11 HN LYS 11 -3.324 4.153 8.881 69 HA LYS 11 HA LYS 11 -3.586 6.140 6.739 70 HB2 LYS 11 HB2 LYS 11 -2.627 7.900 7.904 71 HB3 LYS 11 HB3 LYS 11 -3.817 7.244 9.014 72 HG2 LYS 11 HG2 LYS 11 -0.833 6.664 9.116 73 HG3 LYS 11 HG3 LYS 11 -1.609 7.929 10.012 74 HD2 LYS 11 HD2 LYS 11 -2.568 5.083 10.432 75 HD3 LYS 11 HD3 LYS 11 -1.014 5.616 11.084 76 HE2 LYS 11 HE2 LYS 11 -2.315 7.671 11.975 77 HE3 LYS 11 HE3 LYS 11 -3.766 6.685 11.718 78 HZ1 LYS 11 HZ1 LYS 11 -2.889 6.417 13.949 79 HZ2 LYS 11 HZ2 LYS 11 -1.424 5.964 13.397 80 HZ3 LYS 11 HZ3 LYS 11 -2.758 4.999 13.124 81 H GLU 12 HN GLU 12 -2.236 3.440 7.262 82 HA GLU 12 HA GLU 12 -0.094 4.024 5.488 83 HB2 GLU 12 HB2 GLU 12 1.256 4.413 7.455 84 HB3 GLU 12 HB3 GLU 12 0.516 3.075 8.335 85 HG2 GLU 12 HG2 GLU 12 1.653 1.445 6.858 86 HG3 GLU 12 HG3 GLU 12 2.347 2.775 5.922 87 H ILE 13 HN ILE 13 0.372 2.148 4.296 88 HA ILE 13 HA ILE 13 -1.057 -0.356 5.035 89 HB ILE 13 HB ILE 13 -1.621 -0.602 2.635 90 HG12 ILE 13 HG12 ILE 13 -1.326 2.348 2.115 91 HG13 ILE 13 HG13 ILE 13 0.168 1.426 2.111 92 HG21 ILE 13 HG21 ILE 13 -3.289 0.216 4.280 93 HG22 ILE 13 HG22 ILE 13 -2.866 1.891 3.879 94 HG23 ILE 13 HG23 ILE 13 -3.577 0.829 2.647 95 HD11 ILE 13 HD11 ILE 13 -0.661 -0.125 0.461 96 HD12 ILE 13 HD12 ILE 13 -2.255 0.663 0.503 97 HD13 ILE 13 HD13 ILE 13 -0.831 1.542 -0.131 98 H ILE 14 HN ILE 14 -0.194 -2.241 3.704 99 HA ILE 14 HA ILE 14 2.705 -1.951 3.155 100 HB ILE 14 HB ILE 14 1.451 -3.801 5.220 101 HG12 ILE 14 HG12 ILE 14 3.500 -1.565 5.477 102 HG13 ILE 14 HG13 ILE 14 1.826 -1.522 6.034 103 HG21 ILE 14 HG21 ILE 14 4.314 -3.741 4.187 104 HG22 ILE 14 HG22 ILE 14 3.718 -4.755 5.528 105 HG23 ILE 14 HG23 ILE 14 3.138 -5.056 3.914 106 HD11 ILE 14 HD11 ILE 14 2.306 -3.404 7.594 107 HD12 ILE 14 HD12 ILE 14 4.025 -3.225 7.161 108 HD13 ILE 14 HD13 ILE 14 3.159 -1.882 7.925 109 H ILE 15 HN ILE 15 2.470 -2.372 1.002 110 HA ILE 15 HA ILE 15 1.014 -4.678 -0.008 111 HB ILE 15 HB ILE 15 3.428 -3.366 -1.299 112 HG12 ILE 15 HG12 ILE 15 2.020 -1.501 -1.099 113 HG13 ILE 15 HG13 ILE 15 1.774 -2.102 -2.720 114 HG21 ILE 15 HG21 ILE 15 2.400 -4.237 -3.393 115 HG22 ILE 15 HG22 ILE 15 2.806 -5.525 -2.258 116 HG23 ILE 15 HG23 ILE 15 1.120 -5.011 -2.426 117 HD11 ILE 15 HD11 ILE 15 -0.162 -2.390 -0.429 118 HD12 ILE 15 HD12 ILE 15 -0.296 -1.354 -1.876 119 HD13 ILE 15 HD13 ILE 15 -0.372 -3.124 -2.040 120 H GLN 16 HN GLN 16 1.504 -6.645 0.811 121 HA GLN 16 HA GLN 16 4.118 -7.269 1.834 122 HB2 GLN 16 HB2 GLN 16 1.675 -8.299 2.341 123 HB3 GLN 16 HB3 GLN 16 2.141 -9.423 1.059 124 HG2 GLN 16 HG2 GLN 16 4.163 -10.022 2.279 125 HG3 GLN 16 HG3 GLN 16 3.874 -8.722 3.461 126 HE21 GLN 16 HE21 GLN 16 3.938 -10.124 5.291 127 HE22 GLN 16 HE22 GLN 16 2.630 -11.200 5.590 128 H GLY 17 HN GLY 17 5.675 -8.698 0.882 129 HA2 GLY 17 HA2 GLY 17 5.682 -8.766 -2.089 130 HA3 GLY 17 HA1 GLY 17 7.023 -9.189 -1.029 131 H LEU 18 HN LEU 18 3.825 -10.510 -0.265 132 HA LEU 18 HA LEU 18 4.647 -13.221 -1.102 133 HB2 LEU 18 HB2 LEU 18 3.686 -12.110 1.374 134 HB3 LEU 18 HB3 LEU 18 2.331 -12.946 0.645 135 HG LEU 18 HG LEU 18 3.747 -14.995 0.408 136 HD11 LEU 18 HD11 LEU 18 6.034 -13.848 0.487 137 HD12 LEU 18 HD12 LEU 18 5.842 -15.226 1.584 138 HD13 LEU 18 HD13 LEU 18 5.756 -13.581 2.216 139 HD21 LEU 18 HD21 LEU 18 3.697 -15.422 2.895 140 HD22 LEU 18 HD22 LEU 18 2.231 -14.610 2.305 141 HD23 LEU 18 HD23 LEU 18 3.468 -13.674 3.153 142 H THR 19 HN THR 19 3.429 -14.151 -2.551 143 HA THR 19 HA THR 19 1.224 -12.807 -3.933 144 HB THR 19 HB THR 19 1.110 -14.956 -5.181 145 HG1 THR 19 HG1 THR 19 3.258 -15.720 -3.473 146 HG21 THR 19 HG21 THR 19 3.277 -14.885 -6.288 147 HG22 THR 19 HG22 THR 19 4.018 -14.043 -4.921 148 HG23 THR 19 HG23 THR 19 2.768 -13.228 -5.904 149 H ARG 20 HN ARG 20 -0.940 -13.737 -3.947 150 HA ARG 20 HA ARG 20 -2.146 -14.191 -1.586 151 HB2 ARG 20 HB2 ARG 20 -4.075 -15.051 -2.789 152 HB3 ARG 20 HB3 ARG 20 -3.343 -13.662 -3.573 153 HG2 ARG 20 HG2 ARG 20 -2.146 -15.316 -5.144 154 HG3 ARG 20 HG3 ARG 20 -3.241 -16.552 -4.500 155 HD2 ARG 20 HD2 ARG 20 -4.064 -13.882 -5.678 156 HD3 ARG 20 HD3 ARG 20 -4.061 -15.390 -6.614 157 HE ARG 20 HE ARG 20 -5.963 -14.426 -4.624 158 HH11 ARG 20 HH11 ARG 20 -5.115 -17.127 -6.779 159 HH12 ARG 20 HH12 ARG 20 -6.532 -18.034 -6.412 160 HH21 ARG 20 HH21 ARG 20 -7.780 -15.586 -4.125 161 HH22 ARG 20 HH22 ARG 20 -8.116 -17.139 -4.854 162 H ALA 21 HN ALA 21 -0.486 -16.711 -3.357 163 HA ALA 21 HA ALA 21 -1.726 -18.939 -1.925 164 HB1 ALA 21 HB1 ALA 21 -0.984 -19.162 -4.273 165 HB2 ALA 21 HB2 ALA 21 0.693 -18.818 -3.790 166 HB3 ALA 21 HB3 ALA 21 -0.122 -20.293 -3.221 167 H GLY 22 HN GLY 22 0.355 -16.606 -0.827 168 HA2 GLY 22 HA2 GLY 22 1.479 -16.487 1.083 169 HA3 GLY 22 HA1 GLY 22 1.421 -18.244 1.301 170 H LYS 23 HN LYS 23 2.629 -17.288 -1.779 171 HA LYS 23 HA LYS 23 5.301 -18.238 -0.935 172 HB2 LYS 23 HB2 LYS 23 3.784 -18.234 -3.568 173 HB3 LYS 23 HB3 LYS 23 5.531 -18.378 -3.564 174 HG2 LYS 23 HG2 LYS 23 4.674 -20.593 -3.672 175 HG3 LYS 23 HG3 LYS 23 5.400 -20.337 -2.086 176 HD2 LYS 23 HD2 LYS 23 3.123 -20.016 -1.123 177 HD3 LYS 23 HD3 LYS 23 2.413 -20.409 -2.697 178 HE2 LYS 23 HE2 LYS 23 4.288 -22.180 -1.066 179 HE3 LYS 23 HE3 LYS 23 2.529 -22.249 -0.944 180 HZ1 LYS 23 HZ1 LYS 23 3.488 -23.918 -2.389 181 HZ2 LYS 23 HZ2 LYS 23 3.992 -22.803 -3.470 182 HZ3 LYS 23 HZ3 LYS 23 2.375 -23.007 -3.166 183 HA PRO 24 HA PRO 24 6.928 -14.182 -1.530 184 HB2 PRO 24 HB2 PRO 24 9.563 -14.710 -2.135 185 HB3 PRO 24 HB3 PRO 24 8.855 -14.868 -0.493 186 HG2 PRO 24 HG2 PRO 24 9.381 -17.013 -2.554 187 HG3 PRO 24 HG3 PRO 24 9.687 -17.038 -0.791 188 HD2 PRO 24 HD2 PRO 24 7.482 -18.197 -1.946 189 HD3 PRO 24 HD3 PRO 24 7.421 -17.477 -0.314 190 H PHE 25 HN PHE 25 7.099 -12.704 -3.139 191 HA PHE 25 HA PHE 25 6.747 -13.642 -5.891 192 HB2 PHE 25 HB2 PHE 25 5.283 -11.942 -4.812 193 HB3 PHE 25 HB3 PHE 25 6.676 -10.880 -4.608 194 HD1 PHE 25 HD1 PHE 25 4.748 -12.744 -7.248 195 HD2 PHE 25 HD2 PHE 25 7.153 -9.289 -6.290 196 HE1 PHE 25 HE1 PHE 25 4.518 -11.895 -9.602 197 HE2 PHE 25 HE2 PHE 25 6.931 -8.505 -8.609 198 HZ PHE 25 HZ PHE 25 5.661 -9.820 -10.276 199 H ARG 26 HN ARG 26 8.001 -12.389 -7.679 200 HA ARG 26 HA ARG 26 10.667 -11.648 -6.973 201 HB2 ARG 26 HB2 ARG 26 11.265 -13.093 -9.130 202 HB3 ARG 26 HB3 ARG 26 11.265 -13.707 -7.494 203 HG2 ARG 26 HG2 ARG 26 8.750 -14.019 -9.150 204 HG3 ARG 26 HG3 ARG 26 10.136 -15.058 -9.449 205 HD2 ARG 26 HD2 ARG 26 9.883 -14.875 -6.610 206 HD3 ARG 26 HD3 ARG 26 8.231 -15.184 -7.239 207 HE ARG 26 HE ARG 26 9.857 -16.926 -8.633 208 HH11 ARG 26 HH11 ARG 26 8.965 -16.605 -5.226 209 HH12 ARG 26 HH12 ARG 26 10.121 -17.808 -4.709 210 HH21 ARG 26 HH21 ARG 26 10.957 -18.753 -8.037 211 HH22 ARG 26 HH22 ARG 26 11.049 -19.283 -6.378 212 HA PRO 27 HA PRO 27 12.456 -11.261 -8.491 213 HB2 PRO 27 HB2 PRO 27 13.688 -8.829 -8.984 214 HB3 PRO 27 HB3 PRO 27 13.422 -10.045 -10.272 215 HG2 PRO 27 HG2 PRO 27 11.696 -7.638 -9.604 216 HG3 PRO 27 HG3 PRO 27 12.307 -8.145 -11.208 217 HD2 PRO 27 HD2 PRO 27 9.788 -8.787 -10.341 218 HD3 PRO 27 HD3 PRO 27 10.745 -9.928 -11.334 219 H SER 28 HN SER 28 13.332 -10.745 -6.459 220 HA SER 28 HA SER 28 11.245 -9.944 -4.681 221 HB2 SER 28 HB2 SER 28 12.837 -11.771 -4.324 222 HB3 SER 28 HB3 SER 28 14.179 -10.583 -4.171 223 HG SER 28 HG SER 28 13.669 -10.683 -2.167 224 H ASP 29 HN ASP 29 13.965 -8.298 -6.080 225 HA ASP 29 HA ASP 29 14.010 -5.963 -4.413 226 HB2 ASP 29 HB2 ASP 29 15.106 -6.508 -7.194 227 HB3 ASP 29 HB3 ASP 29 15.500 -5.088 -6.211 228 H TRP 30 HN TRP 30 11.424 -6.895 -6.216 229 HA TRP 30 HA TRP 30 10.644 -4.709 -7.775 230 HB2 TRP 30 HB2 TRP 30 8.415 -5.399 -7.377 231 HB3 TRP 30 HB3 TRP 30 9.368 -6.849 -7.494 232 HD1 TRP 30 HD1 TRP 30 9.386 -8.424 -5.258 233 HE1 TRP 30 HE1 TRP 30 8.131 -8.367 -3.061 234 HE3 TRP 30 HE3 TRP 30 7.330 -3.771 -5.664 235 HZ2 TRP 30 HZ2 TRP 30 6.240 -6.518 -1.662 236 HZ3 TRP 30 HZ3 TRP 30 5.869 -2.890 -3.902 237 HH2 TRP 30 HH2 TRP 30 5.328 -4.254 -1.900 238 H VAL 31 HN VAL 31 10.745 -5.067 -4.286 239 HA VAL 31 HA VAL 31 9.371 -2.806 -3.357 240 HB VAL 31 HB VAL 31 11.841 -4.291 -2.334 241 HG11 VAL 31 HG11 VAL 31 11.750 -2.148 -1.157 242 HG12 VAL 31 HG12 VAL 31 10.038 -2.431 -0.745 243 HG13 VAL 31 HG13 VAL 31 11.311 -3.493 -0.095 244 HG21 VAL 31 HG21 VAL 31 8.873 -4.585 -1.746 245 HG22 VAL 31 HG22 VAL 31 9.957 -5.784 -2.506 246 HG23 VAL 31 HG23 VAL 31 10.152 -5.360 -0.800 247 H ASP 32 HN ASP 32 12.762 -3.157 -4.491 248 HA ASP 32 HA ASP 32 13.462 -0.435 -3.791 249 HB2 ASP 32 HB2 ASP 32 14.989 -2.545 -3.872 250 HB3 ASP 32 HB3 ASP 32 15.051 -2.264 -5.616 251 H ARG 33 HN ARG 33 12.252 -2.161 -6.619 252 HA ARG 33 HA ARG 33 12.802 -0.057 -8.534 253 HB2 ARG 33 HB2 ARG 33 10.520 -2.086 -8.630 254 HB3 ARG 33 HB3 ARG 33 11.047 -1.023 -9.928 255 HG2 ARG 33 HG2 ARG 33 13.394 -2.179 -9.599 256 HG3 ARG 33 HG3 ARG 33 12.462 -3.417 -8.748 257 HD2 ARG 33 HD2 ARG 33 12.646 -4.170 -11.001 258 HD3 ARG 33 HD3 ARG 33 10.986 -3.577 -10.831 259 HE ARG 33 HE ARG 33 13.072 -1.716 -11.824 260 HH11 ARG 33 HH11 ARG 33 10.338 -3.808 -12.845 261 HH12 ARG 33 HH12 ARG 33 9.954 -2.805 -14.191 262 HH21 ARG 33 HH21 ARG 33 12.731 -0.646 -13.754 263 HH22 ARG 33 HH22 ARG 33 11.497 -1.168 -14.861 264 H MET 34 HN MET 34 9.921 -0.775 -6.479 265 HA MET 34 HA MET 34 8.351 1.405 -7.392 266 HB2 MET 34 HB2 MET 34 8.334 -0.351 -4.944 267 HB3 MET 34 HB3 MET 34 7.486 1.207 -4.853 268 HG2 MET 34 HG2 MET 34 6.760 -0.953 -6.775 269 HG3 MET 34 HG3 MET 34 5.923 -0.450 -5.334 270 HE1 MET 34 HE1 MET 34 3.980 -0.500 -6.874 271 HE2 MET 34 HE2 MET 34 3.584 0.668 -8.159 272 HE3 MET 34 HE3 MET 34 4.813 -0.589 -8.440 273 H CYS 35 HN CYS 35 10.505 1.223 -4.463 274 HA CYS 35 HA CYS 35 9.844 3.855 -3.669 275 HB2 CYS 35 HB2 CYS 35 11.667 3.751 -2.126 276 HB3 CYS 35 HB3 CYS 35 10.923 2.146 -2.213 277 HG CYS 35 HG CYS 35 13.751 3.283 -3.508 278 H SER 36 HN SER 36 12.369 2.759 -5.927 279 HA SER 36 HA SER 36 13.735 5.198 -6.333 280 HB2 SER 36 HB2 SER 36 14.110 2.728 -7.151 281 HB3 SER 36 HB3 SER 36 13.120 3.172 -8.522 282 HG SER 36 HG SER 36 14.899 5.055 -8.450 283 H THR 37 HN THR 37 10.960 3.788 -8.187 284 HA THR 37 HA THR 37 10.679 5.903 -10.000 285 HB THR 37 HB THR 37 8.542 4.039 -8.884 286 HG1 THR 37 HG1 THR 37 10.360 3.757 -11.039 287 HG21 THR 37 HG21 THR 37 7.499 4.279 -11.125 288 HG22 THR 37 HG22 THR 37 8.669 5.539 -11.538 289 HG23 THR 37 HG23 THR 37 7.488 5.787 -10.226 290 H TYR 38 HN TYR 38 9.231 5.551 -6.762 291 HA TYR 38 HA TYR 38 7.709 8.058 -7.082 292 HB2 TYR 38 HB2 TYR 38 7.821 5.864 -5.009 293 HB3 TYR 38 HB3 TYR 38 6.920 7.361 -4.765 294 HD1 TYR 38 HD2 TYR 38 7.191 4.498 -7.226 295 HD2 TYR 38 HD1 TYR 38 4.690 7.519 -5.435 296 HE1 TYR 38 HE2 TYR 38 5.287 3.631 -8.497 297 HE2 TYR 38 HE1 TYR 38 2.747 6.588 -6.629 298 HH TYR 38 HH TYR 38 2.941 3.703 -8.759 299 H ALA 39 HN ALA 39 10.872 7.684 -6.580 300 HA ALA 39 HA ALA 39 11.120 9.701 -4.414 301 HB1 ALA 39 HB1 ALA 39 12.285 7.649 -3.941 302 HB2 ALA 39 HB2 ALA 39 13.045 7.612 -5.548 303 HB3 ALA 39 HB3 ALA 39 13.494 8.852 -4.385 304 H SER 40 HN SER 40 13.327 10.975 -4.911 305 HA SER 40 HA SER 40 13.809 11.513 -7.722 306 HB2 SER 40 HB2 SER 40 11.537 12.702 -6.982 307 HB3 SER 40 HB3 SER 40 12.647 13.835 -6.195 308 HG SER 40 HG SER 40 11.850 14.009 -8.544 309 H PHE 41 HN PHE 41 15.376 13.344 -7.923 310 HA PHE 41 HA PHE 41 17.366 13.207 -5.795 311 HB2 PHE 41 HB2 PHE 41 17.113 14.355 -8.558 312 HB3 PHE 41 HB3 PHE 41 18.354 15.013 -7.481 313 HD1 PHE 41 HD2 PHE 41 17.270 11.354 -7.540 314 HD2 PHE 41 HD1 PHE 41 20.269 14.243 -8.726 315 HE1 PHE 41 HE2 PHE 41 18.884 9.550 -7.900 316 HE2 PHE 41 HE1 PHE 41 21.876 12.388 -9.038 317 HZ PHE 41 HZ PHE 41 21.202 10.049 -8.557 318 H GLY 42 HN GLY 42 18.239 15.044 -4.691 319 HA2 GLY 42 HA2 GLY 42 16.402 17.354 -4.304 320 HA3 GLY 42 HA1 GLY 42 17.267 16.582 -2.961 321 H ALA 43 HN ALA 43 18.191 18.963 -2.861 322 HA ALA 43 HA ALA 43 19.707 20.005 -4.965 323 HB1 ALA 43 HB1 ALA 43 20.301 20.464 -2.029 324 HB2 ALA 43 HB2 ALA 43 20.678 21.533 -3.387 325 HB3 ALA 43 HB3 ALA 43 18.982 21.269 -2.928 326 H ASP 44 HN ASP 44 20.721 17.710 -2.477 327 HA ASP 44 HA ASP 44 23.532 17.695 -2.937 328 HB2 ASP 44 HB2 ASP 44 22.180 16.788 -0.982 329 HB3 ASP 44 HB3 ASP 44 21.754 15.416 -2.004 330 H ARG 45 HN ARG 45 21.118 16.804 -5.067 331 HA ARG 45 HA ARG 45 20.747 15.324 -6.717 332 HB2 ARG 45 HB2 ARG 45 23.633 16.000 -7.392 333 HB3 ARG 45 HB3 ARG 45 22.414 15.363 -8.486 334 HG2 ARG 45 HG2 ARG 45 21.084 17.534 -7.465 335 HG3 ARG 45 HG3 ARG 45 22.750 18.111 -7.417 336 HD2 ARG 45 HD2 ARG 45 21.346 16.944 -9.852 337 HD3 ARG 45 HD3 ARG 45 21.463 18.673 -9.493 338 HE ARG 45 HE ARG 45 24.068 17.518 -9.542 339 HH11 ARG 45 HH11 ARG 45 21.380 18.386 -11.747 340 HH12 ARG 45 HH12 ARG 45 22.444 18.855 -13.033 341 HH21 ARG 45 HH21 ARG 45 25.437 18.015 -11.447 342 HH22 ARG 45 HH22 ARG 45 24.645 18.574 -12.891 343 H LYS 46 HN LYS 46 20.956 13.902 -4.557 344 HA LYS 46 HA LYS 46 22.454 11.436 -5.337 345 HB2 LYS 46 HB2 LYS 46 23.327 13.213 -3.510 346 HB3 LYS 46 HB3 LYS 46 22.135 12.425 -2.500 347 HG2 LYS 46 HG2 LYS 46 24.118 11.232 -2.031 348 HG3 LYS 46 HG3 LYS 46 23.388 10.198 -3.257 349 HD2 LYS 46 HD2 LYS 46 24.800 11.586 -4.968 350 HD3 LYS 46 HD3 LYS 46 25.677 12.181 -3.542 351 HE2 LYS 46 HE2 LYS 46 26.059 9.757 -2.885 352 HE3 LYS 46 HE3 LYS 46 25.294 9.279 -4.411 353 HZ1 LYS 46 HZ1 LYS 46 27.540 9.245 -4.797 354 HZ2 LYS 46 HZ2 LYS 46 27.843 10.692 -4.042 355 HZ3 LYS 46 HZ3 LYS 46 27.067 10.653 -5.501 356 H LEU 47 HN LEU 47 19.623 11.912 -5.611 357 HA LEU 47 HA LEU 47 17.544 11.074 -5.203 358 HB2 LEU 47 HB2 LEU 47 19.171 9.026 -5.638 359 HB3 LEU 47 HB3 LEU 47 18.743 8.588 -4.010 360 HG LEU 47 HG LEU 47 16.573 9.274 -6.035 361 HD11 LEU 47 HD11 LEU 47 17.945 6.581 -5.731 362 HD12 LEU 47 HD12 LEU 47 18.025 7.661 -7.145 363 HD13 LEU 47 HD13 LEU 47 16.481 6.935 -6.686 364 HD21 LEU 47 HD21 LEU 47 15.675 8.924 -3.845 365 HD22 LEU 47 HD22 LEU 47 16.743 7.540 -3.538 366 HD23 LEU 47 HD23 LEU 47 15.410 7.421 -4.696 367 H ARG 48 HN ARG 48 15.873 11.226 -3.761 368 HA ARG 48 HA ARG 48 16.285 10.714 -0.879 369 HB2 ARG 48 HB2 ARG 48 15.295 13.239 -2.237 370 HB3 ARG 48 HB3 ARG 48 14.403 12.639 -0.863 371 HG2 ARG 48 HG2 ARG 48 15.982 14.065 0.169 372 HG3 ARG 48 HG3 ARG 48 16.749 12.491 0.343 373 HD2 ARG 48 HD2 ARG 48 17.809 13.164 -2.046 374 HD3 ARG 48 HD3 ARG 48 17.415 14.773 -1.526 375 HE ARG 48 HE ARG 48 19.294 12.839 -0.214 376 HH11 ARG 48 HH11 ARG 48 17.979 16.139 -0.209 377 HH12 ARG 48 HH12 ARG 48 19.467 16.847 0.372 378 HH21 ARG 48 HH21 ARG 48 21.237 13.779 0.596 379 HH22 ARG 48 HH22 ARG 48 21.254 15.432 1.071 380 H TYR 49 HN TYR 49 14.779 9.300 -0.220 381 HA TYR 49 HA TYR 49 12.510 8.579 -1.981 382 HB2 TYR 49 HB2 TYR 49 13.462 7.405 0.676 383 HB3 TYR 49 HB3 TYR 49 12.170 6.769 -0.335 384 HD1 TYR 49 HD2 TYR 49 12.764 6.002 -2.721 385 HD2 TYR 49 HD1 TYR 49 15.725 6.685 0.338 386 HE1 TYR 49 HE2 TYR 49 14.477 4.893 -4.140 387 HE2 TYR 49 HE1 TYR 49 17.412 5.493 -1.040 388 HH TYR 49 HH TYR 49 16.987 3.530 -3.317 389 H SER 50 HN SER 50 10.372 9.212 -1.361 390 HA SER 50 HA SER 50 10.042 11.287 0.554 391 HB2 SER 50 HB2 SER 50 8.036 9.265 -0.558 392 HB3 SER 50 HB3 SER 50 7.618 10.780 0.272 393 HG SER 50 HG SER 50 8.794 11.881 -1.368 394 HA PRO 51 HA PRO 51 9.812 8.880 4.368 395 HB2 PRO 51 HB2 PRO 51 8.238 10.471 5.941 396 HB3 PRO 51 HB3 PRO 51 9.913 10.890 5.486 397 HG2 PRO 51 HG2 PRO 51 7.349 11.813 4.157 398 HG3 PRO 51 HG3 PRO 51 8.732 12.814 4.711 399 HD2 PRO 51 HD2 PRO 51 8.488 12.011 2.133 400 HD3 PRO 51 HD3 PRO 51 10.090 12.100 2.920 401 H TYR 52 HN TYR 52 7.469 8.964 2.074 402 HA TYR 52 HA TYR 52 5.392 7.631 3.681 403 HB2 TYR 52 HB2 TYR 52 5.166 8.863 0.926 404 HB3 TYR 52 HB3 TYR 52 3.842 8.308 1.936 405 HD1 TYR 52 HD2 TYR 52 4.719 9.600 4.622 406 HD2 TYR 52 HD1 TYR 52 4.537 11.121 0.569 407 HE1 TYR 52 HE2 TYR 52 4.438 11.885 5.485 408 HE2 TYR 52 HE1 TYR 52 4.255 13.401 1.443 409 HH TYR 52 HH TYR 52 4.331 14.746 3.335 410 H LEU 53 HN LEU 53 7.987 6.447 2.324 411 HA LEU 53 HA LEU 53 6.720 4.100 1.137 412 HB2 LEU 53 HB2 LEU 53 7.703 6.386 -0.414 413 HB3 LEU 53 HB3 LEU 53 8.510 4.902 -0.887 414 HG LEU 53 HG LEU 53 5.487 4.891 -0.673 415 HD11 LEU 53 HD11 LEU 53 7.154 6.055 -2.896 416 HD12 LEU 53 HD12 LEU 53 5.874 6.861 -1.979 417 HD13 LEU 53 HD13 LEU 53 5.455 5.557 -3.108 418 HD21 LEU 53 HD21 LEU 53 7.494 3.480 -2.492 419 HD22 LEU 53 HD22 LEU 53 5.741 3.203 -2.445 420 HD23 LEU 53 HD23 LEU 53 6.728 2.792 -1.040 421 H LYS 54 HN LYS 54 7.906 2.782 2.592 422 HA LYS 54 HA LYS 54 10.809 2.702 2.073 423 HB2 LYS 54 HB2 LYS 54 9.608 3.088 4.847 424 HB3 LYS 54 HB3 LYS 54 11.226 2.450 4.578 425 HG2 LYS 54 HG2 LYS 54 11.704 4.547 3.160 426 HG3 LYS 54 HG3 LYS 54 10.202 5.212 3.805 427 HD2 LYS 54 HD2 LYS 54 12.708 4.477 5.357 428 HD3 LYS 54 HD3 LYS 54 12.075 6.089 5.002 429 HE2 LYS 54 HE2 LYS 54 9.898 5.020 6.242 430 HE3 LYS 54 HE3 LYS 54 11.170 4.060 7.020 431 HZ1 LYS 54 HZ1 LYS 54 10.881 5.964 8.326 432 HZ2 LYS 54 HZ2 LYS 54 10.694 6.945 7.079 433 HZ3 LYS 54 HZ3 LYS 54 12.213 6.405 7.430 434 HA PRO 55 HA PRO 55 9.994 -1.667 2.438 435 HB2 PRO 55 HB2 PRO 55 12.442 -2.657 3.171 436 HB3 PRO 55 HB3 PRO 55 12.091 -2.043 1.529 437 HG2 PRO 55 HG2 PRO 55 13.426 -0.573 3.813 438 HG3 PRO 55 HG3 PRO 55 13.959 -0.690 2.100 439 HD2 PRO 55 HD2 PRO 55 12.568 1.458 3.011 440 HD3 PRO 55 HD3 PRO 55 12.271 0.809 1.377 441 H ARG 56 HN ARG 56 10.078 -3.447 4.109 442 HA ARG 56 HA ARG 56 10.433 -2.598 6.902 443 HB2 ARG 56 HB2 ARG 56 7.824 -2.991 5.609 444 HB3 ARG 56 HB3 ARG 56 8.060 -4.190 6.847 445 HG2 ARG 56 HG2 ARG 56 8.558 -2.433 8.514 446 HG3 ARG 56 HG3 ARG 56 8.273 -1.187 7.279 447 HD2 ARG 56 HD2 ARG 56 6.011 -1.921 6.938 448 HD3 ARG 56 HD3 ARG 56 6.247 -3.367 7.905 449 HE ARG 56 HE ARG 56 5.717 -2.311 9.777 450 HH11 ARG 56 HH11 ARG 56 6.532 0.451 7.609 451 HH12 ARG 56 HH12 ARG 56 5.152 1.366 8.086 452 HH21 ARG 56 HH21 ARG 56 4.092 -0.821 10.667 453 HH22 ARG 56 HH22 ARG 56 3.835 0.644 9.779 454 H VAL 57 HN VAL 57 9.674 -5.052 8.038 455 HA VAL 57 HA VAL 57 10.080 -7.151 6.092 456 HB VAL 57 HB VAL 57 11.476 -7.216 8.816 457 HG11 VAL 57 HG11 VAL 57 11.047 -9.444 6.788 458 HG12 VAL 57 HG12 VAL 57 12.142 -9.539 8.187 459 HG13 VAL 57 HG13 VAL 57 10.409 -9.387 8.453 460 HG21 VAL 57 HG21 VAL 57 13.490 -7.712 7.519 461 HG22 VAL 57 HG22 VAL 57 12.586 -7.549 5.992 462 HG23 VAL 57 HG23 VAL 57 12.837 -6.150 7.052 463 H ILE 58 HN ILE 58 8.228 -8.483 6.420 464 HA ILE 58 HA ILE 58 7.054 -8.711 9.145 465 HB ILE 58 HB ILE 58 5.485 -8.254 6.564 466 HG12 ILE 58 HG12 ILE 58 5.838 -6.718 9.163 467 HG13 ILE 58 HG13 ILE 58 6.087 -6.161 7.513 468 HG21 ILE 58 HG21 ILE 58 4.419 -9.134 9.285 469 HG22 ILE 58 HG22 ILE 58 3.434 -8.724 7.863 470 HG23 ILE 58 HG23 ILE 58 4.464 -10.129 7.809 471 HD11 ILE 58 HD11 ILE 58 3.429 -6.655 8.906 472 HD12 ILE 58 HD12 ILE 58 4.122 -5.120 8.405 473 HD13 ILE 58 HD13 ILE 58 3.586 -6.288 7.173 474 H GLU 59 HN GLU 59 7.224 -10.892 9.679 475 HA GLU 59 HA GLU 59 7.462 -13.150 9.443 476 HB2 GLU 59 HB2 GLU 59 5.674 -12.730 7.024 477 HB3 GLU 59 HB3 GLU 59 5.958 -14.257 7.858 478 HG2 GLU 59 HG2 GLU 59 4.884 -13.493 9.855 479 HG3 GLU 59 HG3 GLU 59 4.854 -11.824 9.306 480 H GLY 60 HN GLY 60 9.470 -11.444 8.127 481 HA2 GLY 60 HA2 GLY 60 11.495 -11.883 7.058 482 HA3 GLY 60 HA1 GLY 60 10.870 -13.429 6.478 483 H VAL 61 HN VAL 61 8.418 -11.453 5.543 484 HA VAL 61 HA VAL 61 9.378 -11.450 2.831 485 HB VAL 61 HB VAL 61 6.999 -11.835 3.774 486 HG11 VAL 61 HG11 VAL 61 7.064 -9.285 4.637 487 HG12 VAL 61 HG12 VAL 61 6.436 -9.011 3.027 488 HG13 VAL 61 HG13 VAL 61 5.610 -10.135 4.163 489 HG21 VAL 61 HG21 VAL 61 7.404 -10.239 1.226 490 HG22 VAL 61 HG22 VAL 61 7.574 -11.998 1.414 491 HG23 VAL 61 HG23 VAL 61 5.992 -11.244 1.674 492 H ARG 62 HN ARG 62 9.913 -9.725 1.595 493 HA ARG 62 HA ARG 62 11.253 -7.600 2.824 494 HB2 ARG 62 HB2 ARG 62 10.210 -7.513 -0.089 495 HB3 ARG 62 HB3 ARG 62 11.692 -6.819 0.515 496 HG2 ARG 62 HG2 ARG 62 12.492 -8.631 -0.664 497 HG3 ARG 62 HG3 ARG 62 12.406 -9.308 0.950 498 HD2 ARG 62 HD2 ARG 62 9.852 -9.895 -0.059 499 HD3 ARG 62 HD3 ARG 62 10.776 -9.842 -1.524 500 HE ARG 62 HE ARG 62 11.827 -11.511 0.710 501 HH11 ARG 62 HH11 ARG 62 10.759 -11.401 -2.572 502 HH12 ARG 62 HH12 ARG 62 10.587 -13.077 -2.849 503 HH21 ARG 62 HH21 ARG 62 11.951 -13.791 0.405 504 HH22 ARG 62 HH22 ARG 62 11.754 -14.444 -1.156 505 H CYS 63 HN CYS 63 8.184 -7.456 1.151 506 HA CYS 63 HA CYS 63 6.561 -5.958 0.948 507 HB2 CYS 63 HB2 CYS 63 5.582 -5.141 3.056 508 HB3 CYS 63 HB3 CYS 63 5.973 -6.859 3.057 509 HG CYS 63 HG CYS 63 8.516 -6.023 4.171 510 H LEU 64 HN LEU 64 5.665 -3.646 1.371 511 HA LEU 64 HA LEU 64 7.806 -1.623 1.475 512 HB2 LEU 64 HB2 LEU 64 7.565 -2.278 -0.913 513 HB3 LEU 64 HB3 LEU 64 5.844 -1.956 -0.836 514 HG LEU 64 HG LEU 64 6.148 0.397 -0.634 515 HD11 LEU 64 HD11 LEU 64 7.932 0.738 0.883 516 HD12 LEU 64 HD12 LEU 64 8.487 1.445 -0.619 517 HD13 LEU 64 HD13 LEU 64 9.106 -0.149 -0.140 518 HD21 LEU 64 HD21 LEU 64 7.408 0.933 -2.638 519 HD22 LEU 64 HD22 LEU 64 6.546 -0.587 -2.892 520 HD23 LEU 64 HD23 LEU 64 8.288 -0.613 -2.554 521 H ALA 65 HN ALA 65 7.072 -0.268 3.049 522 HA ALA 65 HA ALA 65 4.244 -0.139 3.799 523 HB1 ALA 65 HB1 ALA 65 6.685 1.470 4.689 524 HB2 ALA 65 HB2 ALA 65 5.088 1.433 5.456 525 HB3 ALA 65 HB3 ALA 65 6.104 -0.025 5.465 526 H VAL 66 HN VAL 66 2.915 1.625 3.177 527 HA VAL 66 HA VAL 66 4.127 3.864 1.705 528 HB VAL 66 HB VAL 66 1.717 2.406 0.680 529 HG11 VAL 66 HG11 VAL 66 1.670 4.145 -1.040 530 HG12 VAL 66 HG12 VAL 66 1.476 4.904 0.541 531 HG13 VAL 66 HG13 VAL 66 3.044 4.992 -0.271 532 HG21 VAL 66 HG21 VAL 66 3.442 2.578 -1.360 533 HG22 VAL 66 HG22 VAL 66 4.630 2.749 -0.097 534 HG23 VAL 66 HG23 VAL 66 3.640 1.289 -0.158 535 H ASP 67 HN ASP 67 3.517 5.720 2.758 536 HA ASP 67 HA ASP 67 1.574 5.586 5.007 537 HB2 ASP 67 HB2 ASP 67 3.889 6.792 5.079 538 HB3 ASP 67 HB3 ASP 67 3.101 8.040 4.119 539 H LEU 68 HN LEU 68 -0.426 6.595 4.902 540 HA LEU 68 HA LEU 68 -1.437 6.994 2.239 541 HB2 LEU 68 HB2 LEU 68 -2.533 6.561 4.891 542 HB3 LEU 68 HB3 LEU 68 -3.406 7.843 4.133 543 HG LEU 68 HG LEU 68 -2.875 5.132 2.891 544 HD11 LEU 68 HD11 LEU 68 -5.339 6.210 4.340 545 HD12 LEU 68 HD12 LEU 68 -4.303 4.857 4.850 546 HD13 LEU 68 HD13 LEU 68 -5.312 4.710 3.408 547 HD21 LEU 68 HD21 LEU 68 -3.344 6.841 1.172 548 HD22 LEU 68 HD22 LEU 68 -4.775 7.394 2.070 549 HD23 LEU 68 HD23 LEU 68 -4.747 5.786 1.330 550 H LYS 69 HN LYS 69 0.055 9.152 4.439 551 HA LYS 69 HA LYS 69 -1.288 11.593 3.871 552 HB2 LYS 69 HB2 LYS 69 0.778 10.945 5.405 553 HB3 LYS 69 HB3 LYS 69 1.735 11.495 4.046 554 HG2 LYS 69 HG2 LYS 69 -0.360 13.031 5.642 555 HG3 LYS 69 HG3 LYS 69 1.373 13.142 5.869 556 HD2 LYS 69 HD2 LYS 69 1.153 15.030 4.643 557 HD3 LYS 69 HD3 LYS 69 1.333 13.886 3.324 558 HE2 LYS 69 HE2 LYS 69 -0.455 15.277 2.679 559 HE3 LYS 69 HE3 LYS 69 -1.221 13.782 3.218 560 HZ1 LYS 69 HZ1 LYS 69 -1.038 16.222 4.877 561 HZ2 LYS 69 HZ2 LYS 69 -1.838 14.831 5.261 562 HZ3 LYS 69 HZ3 LYS 69 -2.348 15.768 4.007 563 H LEU 70 HN LEU 70 1.003 9.687 1.950 564 HA LEU 70 HA LEU 70 1.548 11.557 -0.099 565 HB2 LEU 70 HB2 LEU 70 2.737 9.487 -0.032 566 HB3 LEU 70 HB3 LEU 70 1.250 8.553 -0.258 567 HG LEU 70 HG LEU 70 1.009 9.561 -2.578 568 HD11 LEU 70 HD11 LEU 70 3.773 10.740 -1.958 569 HD12 LEU 70 HD12 LEU 70 2.285 11.660 -2.292 570 HD13 LEU 70 HD13 LEU 70 3.005 10.672 -3.558 571 HD21 LEU 70 HD21 LEU 70 3.678 8.203 -2.086 572 HD22 LEU 70 HD22 LEU 70 2.688 8.200 -3.576 573 HD23 LEU 70 HD23 LEU 70 2.087 7.405 -2.119 574 H LYS 71 HN LYS 71 -1.351 9.474 0.332 575 HA LYS 71 HA LYS 71 -2.381 9.879 -2.315 576 HB2 LYS 71 HB2 LYS 71 -3.085 8.054 -0.802 577 HB3 LYS 71 HB3 LYS 71 -3.805 9.220 0.298 578 HG2 LYS 71 HG2 LYS 71 -5.746 9.123 -0.750 579 HG3 LYS 71 HG3 LYS 71 -5.033 9.627 -2.278 580 HD2 LYS 71 HD2 LYS 71 -4.510 7.353 -2.890 581 HD3 LYS 71 HD3 LYS 71 -4.995 6.768 -1.285 582 HE2 LYS 71 HE2 LYS 71 -6.684 6.246 -2.943 583 HE3 LYS 71 HE3 LYS 71 -7.318 7.357 -1.718 584 HZ1 LYS 71 HZ1 LYS 71 -7.151 9.113 -3.212 585 HZ2 LYS 71 HZ2 LYS 71 -7.974 7.931 -3.943 586 HZ3 LYS 71 HZ3 LYS 71 -6.413 8.169 -4.401 587 H ASP 72 HN ASP 72 -2.393 11.921 0.539 588 HA ASP 72 HA ASP 72 -4.576 13.609 -0.280 589 HB2 ASP 72 HB2 ASP 72 -3.448 13.280 2.017 590 HB3 ASP 72 HB3 ASP 72 -2.205 14.375 1.418 591 H THR 73 HN THR 73 -1.081 13.533 -0.972 592 HA THR 73 HA THR 73 -1.259 16.193 -2.283 593 HB THR 73 HB THR 73 0.237 15.777 -0.321 594 HG1 THR 73 HG1 THR 73 0.612 17.288 -2.271 595 HG21 THR 73 HG21 THR 73 1.113 13.565 -0.740 596 HG22 THR 73 HG22 THR 73 2.475 14.693 -0.787 597 HG23 THR 73 HG23 THR 73 1.823 14.066 -2.291 598 H ASN 74 HN ASN 74 -0.849 12.833 -2.982 599 HA ASN 74 HA ASN 74 -1.093 13.398 -5.800 600 HB2 ASN 74 HB2 ASN 74 1.351 13.284 -5.675 601 HB3 ASN 74 HB3 ASN 74 1.252 11.736 -4.821 602 HD21 ASN 74 HD21 ASN 74 2.588 11.018 -6.753 603 HD22 ASN 74 HD22 ASN 74 1.746 10.594 -8.239 604 HA PRO 75 HA PRO 75 -3.506 9.877 -4.043 605 HB2 PRO 75 HB2 PRO 75 -5.776 10.285 -5.571 606 HB3 PRO 75 HB3 PRO 75 -5.485 11.095 -4.007 607 HG2 PRO 75 HG2 PRO 75 -5.013 12.171 -6.785 608 HG3 PRO 75 HG3 PRO 75 -5.772 12.991 -5.385 609 HD2 PRO 75 HD2 PRO 75 -3.166 13.393 -6.071 610 HD3 PRO 75 HD3 PRO 75 -3.682 13.378 -4.359 611 H GLU 76 HN GLU 76 -2.784 11.014 -7.307 612 HA GLU 76 HA GLU 76 -3.800 8.786 -8.731 613 HB2 GLU 76 HB2 GLU 76 -3.281 11.232 -9.456 614 HB3 GLU 76 HB3 GLU 76 -1.592 10.714 -9.559 615 HG2 GLU 76 HG2 GLU 76 -2.518 8.805 -11.055 616 HG3 GLU 76 HG3 GLU 76 -3.954 9.838 -11.217 617 H GLY 77 HN GLY 77 -0.500 9.660 -7.697 618 HA2 GLY 77 HA2 GLY 77 0.846 7.349 -8.669 619 HA3 GLY 77 HA1 GLY 77 1.354 8.330 -7.280 620 H PHE 78 HN PHE 78 -0.625 7.998 -5.425 621 HA PHE 78 HA PHE 78 -0.105 5.445 -4.321 622 HB2 PHE 78 HB2 PHE 78 -0.805 7.500 -3.095 623 HB3 PHE 78 HB3 PHE 78 -2.422 7.325 -3.752 624 HD1 PHE 78 HD1 PHE 78 -3.701 5.091 -3.224 625 HD2 PHE 78 HD2 PHE 78 -0.194 6.414 -1.070 626 HE1 PHE 78 HE1 PHE 78 -4.308 3.637 -1.330 627 HE2 PHE 78 HE2 PHE 78 -0.821 4.932 0.825 628 HZ PHE 78 HZ PHE 78 -2.872 3.537 0.679 629 H ASN 79 HN ASN 79 -2.907 6.623 -6.156 630 HA ASN 79 HA ASN 79 -4.516 4.310 -6.053 631 HB2 ASN 79 HB2 ASN 79 -4.314 6.548 -8.090 632 HB3 ASN 79 HB3 ASN 79 -5.472 5.254 -8.260 633 HD21 ASN 79 HD21 ASN 79 -6.233 8.007 -8.028 634 HD22 ASN 79 HD22 ASN 79 -7.200 8.156 -6.603 635 H GLN 80 HN GLN 80 -1.795 5.089 -8.323 636 HA GLN 80 HA GLN 80 -2.189 2.677 -9.867 637 HB2 GLN 80 HB2 GLN 80 0.147 4.625 -9.544 638 HB3 GLN 80 HB3 GLN 80 0.277 3.132 -10.457 639 HG2 GLN 80 HG2 GLN 80 -1.707 3.905 -11.852 640 HG3 GLN 80 HG3 GLN 80 -1.521 5.490 -11.084 641 HE21 GLN 80 HE21 GLN 80 0.191 6.896 -11.909 642 HE22 GLN 80 HE22 GLN 80 1.094 6.347 -13.319 643 H LEU 81 HN LEU 81 -0.112 3.547 -7.058 644 HA LEU 81 HA LEU 81 1.386 1.204 -6.934 645 HB2 LEU 81 HB2 LEU 81 1.249 3.464 -5.402 646 HB3 LEU 81 HB3 LEU 81 0.453 2.333 -4.303 647 HG LEU 81 HG LEU 81 2.899 1.170 -5.453 648 HD11 LEU 81 HD11 LEU 81 4.607 2.436 -4.547 649 HD12 LEU 81 HD12 LEU 81 3.541 3.424 -3.563 650 HD13 LEU 81 HD13 LEU 81 3.604 3.633 -5.351 651 HD21 LEU 81 HD21 LEU 81 3.470 0.890 -3.041 652 HD22 LEU 81 HD22 LEU 81 1.889 0.199 -3.495 653 HD23 LEU 81 HD23 LEU 81 1.963 1.730 -2.610 654 H MET 82 HN MET 82 -1.784 1.875 -5.517 655 HA MET 82 HA MET 82 -2.198 -0.571 -4.179 656 HB2 MET 82 HB2 MET 82 -4.289 1.150 -5.614 657 HB3 MET 82 HB3 MET 82 -4.651 -0.147 -4.482 658 HG2 MET 82 HG2 MET 82 -3.262 2.470 -3.891 659 HG3 MET 82 HG3 MET 82 -4.832 1.951 -3.314 660 HE1 MET 82 HE1 MET 82 -4.295 -1.078 -2.251 661 HE2 MET 82 HE2 MET 82 -3.923 -0.679 -0.565 662 HE3 MET 82 HE3 MET 82 -5.221 0.193 -1.407 663 H HIS 83 HN HIS 83 -3.030 0.251 -7.583 664 HA HIS 83 HA HIS 83 -4.371 -2.176 -8.191 665 HB2 HIS 83 HB2 HIS 83 -4.557 -0.027 -9.434 666 HB3 HIS 83 HB3 HIS 83 -2.880 -0.153 -9.892 667 HD1 HIS 83 HD1 HIS 83 -3.165 -0.429 -12.491 668 HD2 HIS 83 HD2 HIS 83 -5.169 -3.231 -10.075 669 HE1 HIS 83 HE1 HIS 83 -3.987 -2.274 -14.051 670 H PHE 84 HN PHE 84 -1.005 -1.163 -8.683 671 HA PHE 84 HA PHE 84 0.056 -3.320 -10.089 672 HB2 PHE 84 HB2 PHE 84 1.325 -1.353 -9.626 673 HB3 PHE 84 HB3 PHE 84 1.165 -1.547 -7.898 674 HD1 PHE 84 HD2 PHE 84 2.347 -3.593 -6.754 675 HD2 PHE 84 HD1 PHE 84 3.311 -2.133 -10.707 676 HE1 PHE 84 HE2 PHE 84 4.673 -4.282 -6.431 677 HE2 PHE 84 HE1 PHE 84 5.616 -2.936 -10.428 678 HZ PHE 84 HZ PHE 84 6.345 -3.959 -8.281 679 H ALA 85 HN ALA 85 -0.770 -3.208 -6.595 680 HA ALA 85 HA ALA 85 0.526 -5.660 -5.907 681 HB1 ALA 85 HB1 ALA 85 -1.949 -4.423 -4.645 682 HB2 ALA 85 HB2 ALA 85 -0.891 -5.651 -3.933 683 HB3 ALA 85 HB3 ALA 85 -0.269 -4.009 -4.241 684 H THR 86 HN THR 86 -2.913 -5.017 -6.950 685 HA THR 86 HA THR 86 -3.720 -7.723 -6.800 686 HB THR 86 HB THR 86 -4.806 -5.677 -8.773 687 HG1 THR 86 HG1 THR 86 -6.219 -5.081 -7.222 688 HG21 THR 86 HG21 THR 86 -5.722 -7.964 -8.972 689 HG22 THR 86 HG22 THR 86 -6.951 -6.919 -8.262 690 HG23 THR 86 HG23 THR 86 -6.031 -8.024 -7.225 691 H GLU 87 HN GLU 87 -2.308 -5.806 -9.546 692 HA GLU 87 HA GLU 87 -2.540 -7.771 -11.537 693 HB2 GLU 87 HB2 GLU 87 -0.697 -5.429 -10.983 694 HB3 GLU 87 HB3 GLU 87 -0.392 -6.490 -12.358 695 HG2 GLU 87 HG2 GLU 87 -2.808 -6.068 -13.071 696 HG3 GLU 87 HG3 GLU 87 -2.821 -4.786 -11.839 697 H ASN 88 HN ASN 88 -0.367 -7.685 -8.834 698 HA ASN 88 HA ASN 88 1.276 -9.877 -10.050 699 HB2 ASN 88 HB2 ASN 88 2.002 -7.815 -7.946 700 HB3 ASN 88 HB3 ASN 88 2.996 -9.220 -8.355 701 HD21 ASN 88 HD21 ASN 88 1.716 -6.120 -9.599 702 HD22 ASN 88 HD22 ASN 88 2.718 -6.049 -11.021 703 H GLN 89 HN GLN 89 -1.363 -9.522 -8.285 704 HA GLN 89 HA GLN 89 -2.554 -10.565 -6.751 705 HB2 GLN 89 HB2 GLN 89 -0.780 -12.899 -7.499 706 HB3 GLN 89 HB3 GLN 89 -2.285 -13.042 -6.611 707 HG2 GLN 89 HG2 GLN 89 -2.149 -11.799 -9.407 708 HG3 GLN 89 HG3 GLN 89 -2.339 -13.509 -9.111 709 HE21 GLN 89 HE21 GLN 89 -4.018 -10.393 -9.043 710 HE22 GLN 89 HE22 GLN 89 -5.596 -11.063 -8.733 711 H LEU 90 HN LEU 90 -0.323 -9.060 -5.814 712 HA LEU 90 HA LEU 90 0.972 -10.400 -3.578 713 HB2 LEU 90 HB2 LEU 90 0.760 -7.478 -4.423 714 HB3 LEU 90 HB3 LEU 90 1.691 -8.026 -3.043 715 HG LEU 90 HG LEU 90 2.176 -8.897 -5.922 716 HD11 LEU 90 HD11 LEU 90 2.772 -6.526 -5.560 717 HD12 LEU 90 HD12 LEU 90 4.201 -7.528 -5.842 718 HD13 LEU 90 HD13 LEU 90 3.806 -6.991 -4.191 719 HD21 LEU 90 HD21 LEU 90 2.946 -10.667 -4.523 720 HD22 LEU 90 HD22 LEU 90 3.653 -9.528 -3.349 721 HD23 LEU 90 HD23 LEU 90 4.364 -9.709 -4.963 722 H ASN 91 HN ASN 91 0.524 -10.124 -1.422 723 HA ASN 91 HA ASN 91 -2.275 -9.690 -0.770 724 HB2 ASN 91 HB2 ASN 91 -0.416 -11.307 0.302 725 HB3 ASN 91 HB3 ASN 91 -0.137 -9.921 1.349 726 HD21 ASN 91 HD21 ASN 91 -0.848 -11.921 2.763 727 HD22 ASN 91 HD22 ASN 91 -2.555 -12.135 3.040 728 H ILE 92 HN ILE 92 -3.194 -7.722 -0.088 729 HA ILE 92 HA ILE 92 -1.358 -5.410 0.240 730 HB ILE 92 HB ILE 92 -4.394 -5.502 -0.110 731 HG12 ILE 92 HG12 ILE 92 -2.213 -4.787 -2.118 732 HG13 ILE 92 HG13 ILE 92 -3.230 -6.231 -2.173 733 HG21 ILE 92 HG21 ILE 92 -4.256 -3.076 -0.294 734 HG22 ILE 92 HG22 ILE 92 -3.461 -3.543 1.202 735 HG23 ILE 92 HG23 ILE 92 -2.474 -3.118 -0.202 736 HD11 ILE 92 HD11 ILE 92 -5.252 -4.712 -2.357 737 HD12 ILE 92 HD12 ILE 92 -4.098 -3.376 -2.630 738 HD13 ILE 92 HD13 ILE 92 -4.153 -4.747 -3.749 739 H LEU 93 HN LEU 93 -0.799 -5.162 2.470 740 HA LEU 93 HA LEU 93 -2.842 -5.982 4.378 741 HB2 LEU 93 HB2 LEU 93 0.063 -5.354 4.872 742 HB3 LEU 93 HB3 LEU 93 -1.117 -5.990 5.996 743 HG LEU 93 HG LEU 93 0.098 -7.305 3.643 744 HD11 LEU 93 HD11 LEU 93 1.571 -7.119 5.616 745 HD12 LEU 93 HD12 LEU 93 1.204 -8.806 5.198 746 HD13 LEU 93 HD13 LEU 93 0.390 -8.061 6.558 747 HD21 LEU 93 HD21 LEU 93 -0.989 -9.463 4.393 748 HD22 LEU 93 HD22 LEU 93 -2.068 -8.263 3.684 749 HD23 LEU 93 HD23 LEU 93 -2.022 -8.476 5.446 750 H ASP 94 HN ASP 94 -2.623 -4.655 6.279 751 HA ASP 94 HA ASP 94 -2.584 -1.711 5.676 752 HB2 ASP 94 HB2 ASP 94 -3.998 -1.237 7.365 753 HB3 ASP 94 HB3 ASP 94 -4.651 -2.779 6.866 754 H ALA 95 HN ALA 95 -2.069 -0.696 8.079 755 HA ALA 95 HA ALA 95 0.771 -0.929 8.364 756 HB1 ALA 95 HB1 ALA 95 0.596 0.641 10.185 757 HB2 ALA 95 HB2 ALA 95 -0.589 1.130 8.964 758 HB3 ALA 95 HB3 ALA 95 -1.114 0.260 10.430 759 H GLU 96 HN GLU 96 -1.902 -2.622 10.049 760 HA GLU 96 HA GLU 96 -0.148 -3.594 12.147 761 HB2 GLU 96 HB2 GLU 96 -2.982 -4.238 11.379 762 HB3 GLU 96 HB3 GLU 96 -2.127 -5.060 12.679 763 HG2 GLU 96 HG2 GLU 96 -1.787 -2.803 13.758 764 HG3 GLU 96 HG3 GLU 96 -2.864 -2.121 12.534 765 H GLY 97 HN GLY 97 -1.395 -4.680 9.054 766 HA2 GLY 97 HA2 GLY 97 -0.098 -6.305 7.786 767 HA3 GLY 97 HA1 GLY 97 0.136 -7.265 9.217 768 H ASN 98 HN ASN 98 -3.027 -5.816 8.872 769 HA ASN 98 HA ASN 98 -4.410 -8.388 8.559 770 HB2 ASN 98 HB2 ASN 98 -5.423 -5.513 8.456 771 HB3 ASN 98 HB3 ASN 98 -6.418 -6.930 8.620 772 HD21 ASN 98 HD21 ASN 98 -4.953 -4.496 10.377 773 HD22 ASN 98 HD22 ASN 98 -5.066 -5.170 11.987 774 H SER 99 HN SER 99 -5.295 -9.094 6.517 775 HA SER 99 HA SER 99 -4.166 -7.753 4.204 776 HB2 SER 99 HB2 SER 99 -5.162 -9.807 3.033 777 HB3 SER 99 HB3 SER 99 -3.744 -9.964 4.079 778 HG SER 99 HG SER 99 -4.736 -11.162 5.377 779 H ILE 100 HN ILE 100 -5.262 -5.918 3.882 780 HA ILE 100 HA ILE 100 -8.200 -5.837 3.957 781 HB ILE 100 HB ILE 100 -7.836 -3.384 3.686 782 HG12 ILE 100 HG12 ILE 100 -4.854 -3.989 4.011 783 HG13 ILE 100 HG13 ILE 100 -5.612 -3.472 2.512 784 HG21 ILE 100 HG21 ILE 100 -6.208 -4.523 5.999 785 HG22 ILE 100 HG22 ILE 100 -7.164 -3.022 5.950 786 HG23 ILE 100 HG23 ILE 100 -7.977 -4.570 5.919 787 HD11 ILE 100 HD11 ILE 100 -6.469 -1.433 3.759 788 HD12 ILE 100 HD12 ILE 100 -5.335 -1.851 5.036 789 HD13 ILE 100 HD13 ILE 100 -4.718 -1.515 3.415 790 H ASP 101 HN ASP 101 -9.333 -4.526 2.276 791 HA ASP 101 HA ASP 101 -8.508 -5.313 -0.495 792 HB2 ASP 101 HB2 ASP 101 -11.037 -4.267 0.727 793 HB3 ASP 101 HB3 ASP 101 -10.736 -3.919 -0.939 794 H ALA 102 HN ALA 102 -8.369 -3.652 -1.927 795 HA ALA 102 HA ALA 102 -7.068 -1.209 -0.897 796 HB1 ALA 102 HB1 ALA 102 -6.649 -0.664 -3.279 797 HB2 ALA 102 HB2 ALA 102 -6.156 -2.330 -2.901 798 HB3 ALA 102 HB3 ALA 102 -7.670 -2.025 -3.763 799 H ALA 103 HN ALA 103 -10.267 -2.048 -1.962 800 HA ALA 103 HA ALA 103 -11.275 0.569 -2.557 801 HB1 ALA 103 HB1 ALA 103 -12.569 -1.449 -3.071 802 HB2 ALA 103 HB2 ALA 103 -12.602 -1.910 -1.351 803 HB3 ALA 103 HB3 ALA 103 -13.465 -0.465 -1.905 804 H GLN 104 HN GLN 104 -11.103 -1.322 0.490 805 HA GLN 104 HA GLN 104 -12.178 0.676 2.152 806 HB2 GLN 104 HB2 GLN 104 -10.118 -1.422 2.945 807 HB3 GLN 104 HB3 GLN 104 -11.230 -0.573 4.005 808 HG2 GLN 104 HG2 GLN 104 -12.880 -1.854 2.072 809 HG3 GLN 104 HG3 GLN 104 -11.599 -3.008 2.486 810 HE21 GLN 104 HE21 GLN 104 -12.217 -4.380 4.083 811 HE22 GLN 104 HE22 GLN 104 -13.196 -3.931 5.463 812 H VAL 105 HN VAL 105 -9.170 0.782 0.535 813 HA VAL 105 HA VAL 105 -7.873 2.536 2.576 814 HB VAL 105 HB VAL 105 -6.787 1.415 -0.051 815 HG11 VAL 105 HG11 VAL 105 -5.649 3.513 0.680 816 HG12 VAL 105 HG12 VAL 105 -5.302 2.746 2.243 817 HG13 VAL 105 HG13 VAL 105 -4.601 2.087 0.752 818 HG21 VAL 105 HG21 VAL 105 -6.251 0.549 2.808 819 HG22 VAL 105 HG22 VAL 105 -7.157 -0.397 1.612 820 HG23 VAL 105 HG23 VAL 105 -5.440 -0.098 1.361 821 H THR 106 HN THR 106 -8.949 2.447 -0.860 822 HA THR 106 HA THR 106 -8.098 5.160 -1.311 823 HB THR 106 HB THR 106 -9.238 4.792 -3.548 824 HG1 THR 106 HG1 THR 106 -9.443 2.111 -2.585 825 HG21 THR 106 HG21 THR 106 -7.178 2.669 -2.783 826 HG22 THR 106 HG22 THR 106 -6.785 4.353 -3.149 827 HG23 THR 106 HG23 THR 106 -7.495 3.351 -4.402 828 H GLU 107 HN GLU 107 -10.777 4.062 0.339 829 HA GLU 107 HA GLU 107 -12.459 6.407 -0.372 830 HB2 GLU 107 HB2 GLU 107 -13.157 3.667 0.771 831 HB3 GLU 107 HB3 GLU 107 -14.310 4.981 0.501 832 HG2 GLU 107 HG2 GLU 107 -13.764 4.963 -1.921 833 HG3 GLU 107 HG3 GLU 107 -12.706 3.575 -1.679 834 H ILE 108 HN ILE 108 -10.157 6.078 1.765 835 HA ILE 108 HA ILE 108 -11.625 6.623 4.257 836 HB ILE 108 HB ILE 108 -8.629 6.633 3.672 837 HG12 ILE 108 HG12 ILE 108 -10.439 4.532 4.944 838 HG13 ILE 108 HG13 ILE 108 -9.626 4.395 3.388 839 HG21 ILE 108 HG21 ILE 108 -9.351 8.032 5.669 840 HG22 ILE 108 HG22 ILE 108 -10.055 6.551 6.365 841 HG23 ILE 108 HG23 ILE 108 -8.306 6.676 6.076 842 HD11 ILE 108 HD11 ILE 108 -8.368 3.096 4.911 843 HD12 ILE 108 HD12 ILE 108 -7.415 4.564 4.629 844 HD13 ILE 108 HD13 ILE 108 -8.357 4.369 6.134 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -22.293 -9.220 9.832 2 HA2 GLY 1 HA2 GLY 1 -21.484 -6.952 8.098 3 HA3 GLY 1 HA1 GLY 1 -20.530 -7.567 9.465 4 H MET 2 HN MET 2 -18.711 -8.511 8.444 5 HA MET 2 HA MET 2 -17.524 -10.111 7.501 6 HB2 MET 2 HB2 MET 2 -19.188 -11.633 8.506 7 HB3 MET 2 HB3 MET 2 -20.093 -11.641 6.987 8 HG2 MET 2 HG2 MET 2 -18.190 -12.639 5.823 9 HG3 MET 2 HG3 MET 2 -17.214 -12.534 7.288 10 HE1 MET 2 HE1 MET 2 -17.575 -15.208 5.537 11 HE2 MET 2 HE2 MET 2 -16.538 -14.975 6.960 12 HE3 MET 2 HE3 MET 2 -17.645 -16.356 6.894 13 H GLY 3 HN GLY 3 -20.082 -8.708 5.510 14 HA2 GLY 3 HA2 GLY 3 -19.152 -9.583 2.992 15 HA3 GLY 3 HA1 GLY 3 -20.098 -8.119 3.300 16 H THR 4 HN THR 4 -18.985 -6.101 3.554 17 HA THR 4 HA THR 4 -16.023 -6.098 3.214 18 HB THR 4 HB THR 4 -16.422 -4.185 1.556 19 HG1 THR 4 HG1 THR 4 -18.343 -3.744 1.017 20 HG21 THR 4 HG21 THR 4 -17.309 -6.968 0.669 21 HG22 THR 4 HG22 THR 4 -15.634 -6.414 0.828 22 HG23 THR 4 HG23 THR 4 -16.699 -5.660 -0.365 23 H THR 5 HN THR 5 -18.353 -5.233 5.323 24 HA THR 5 HA THR 5 -17.893 -2.397 5.624 25 HB THR 5 HB THR 5 -19.487 -2.823 7.581 26 HG1 THR 5 HG1 THR 5 -19.127 -4.986 7.871 27 HG21 THR 5 HG21 THR 5 -20.330 -3.643 4.764 28 HG22 THR 5 HG22 THR 5 -20.227 -1.993 5.413 29 HG23 THR 5 HG23 THR 5 -21.423 -3.126 6.070 30 H GLU 6 HN GLU 6 -15.648 -2.720 5.810 31 HA GLU 6 HA GLU 6 -14.776 -2.995 8.621 32 HB2 GLU 6 HB2 GLU 6 -13.237 -4.145 6.238 33 HB3 GLU 6 HB3 GLU 6 -12.647 -4.039 7.899 34 HG2 GLU 6 HG2 GLU 6 -14.766 -5.417 8.526 35 HG3 GLU 6 HG3 GLU 6 -14.879 -5.776 6.804 36 H LYS 7 HN LYS 7 -14.891 -0.763 8.780 37 HA LYS 7 HA LYS 7 -13.092 0.888 7.074 38 HB2 LYS 7 HB2 LYS 7 -14.373 2.760 7.589 39 HB3 LYS 7 HB3 LYS 7 -15.588 1.507 7.383 40 HG2 LYS 7 HG2 LYS 7 -15.332 1.310 10.061 41 HG3 LYS 7 HG3 LYS 7 -14.631 2.920 9.885 42 HD2 LYS 7 HD2 LYS 7 -16.884 3.413 10.274 43 HD3 LYS 7 HD3 LYS 7 -16.814 3.439 8.509 44 HE2 LYS 7 HE2 LYS 7 -18.707 2.138 8.943 45 HE3 LYS 7 HE3 LYS 7 -17.457 0.936 8.597 46 HZ1 LYS 7 HZ1 LYS 7 -18.446 1.762 11.263 47 HZ2 LYS 7 HZ2 LYS 7 -17.193 0.716 11.064 48 HZ3 LYS 7 HZ3 LYS 7 -18.666 0.300 10.525 49 H SER 8 HN SER 8 -11.533 2.309 8.255 50 HA SER 8 HA SER 8 -11.289 2.018 11.120 51 HB2 SER 8 HB2 SER 8 -10.355 -0.117 10.290 52 HB3 SER 8 HB3 SER 8 -9.235 0.759 9.256 53 HG SER 8 HG SER 8 -8.389 0.020 11.284 54 H GLY 9 HN GLY 9 -9.329 3.278 11.845 55 HA2 GLY 9 HA2 GLY 9 -9.331 5.874 10.490 56 HA3 GLY 9 HA1 GLY 9 -8.681 5.474 12.086 57 H ILE 10 HN ILE 10 -7.906 3.676 9.134 58 HA ILE 10 HA ILE 10 -5.155 3.572 9.615 59 HB ILE 10 HB ILE 10 -6.713 3.245 7.034 60 HG12 ILE 10 HG12 ILE 10 -5.741 0.894 8.669 61 HG13 ILE 10 HG13 ILE 10 -7.194 1.713 9.197 62 HG21 ILE 10 HG21 ILE 10 -3.899 2.318 7.760 63 HG22 ILE 10 HG22 ILE 10 -4.802 1.733 6.347 64 HG23 ILE 10 HG23 ILE 10 -4.373 3.434 6.452 65 HD11 ILE 10 HD11 ILE 10 -8.285 1.383 7.037 66 HD12 ILE 10 HD12 ILE 10 -6.826 0.614 6.385 67 HD13 ILE 10 HD13 ILE 10 -7.729 -0.168 7.697 68 H LYS 11 HN LYS 11 -3.505 4.963 9.179 69 HA LYS 11 HA LYS 11 -3.812 7.031 7.080 70 HB2 LYS 11 HB2 LYS 11 -2.075 7.177 9.565 71 HB3 LYS 11 HB3 LYS 11 -2.359 8.466 8.413 72 HG2 LYS 11 HG2 LYS 11 -3.927 9.222 9.713 73 HG3 LYS 11 HG3 LYS 11 -4.951 7.873 9.254 74 HD2 LYS 11 HD2 LYS 11 -4.031 6.572 11.189 75 HD3 LYS 11 HD3 LYS 11 -3.070 7.975 11.666 76 HE2 LYS 11 HE2 LYS 11 -6.105 7.935 11.392 77 HE3 LYS 11 HE3 LYS 11 -5.227 7.740 12.907 78 HZ1 LYS 11 HZ1 LYS 11 -5.879 9.990 12.729 79 HZ2 LYS 11 HZ2 LYS 11 -5.320 10.164 11.201 80 HZ3 LYS 11 HZ3 LYS 11 -4.250 10.005 12.405 81 H GLU 12 HN GLU 12 -2.522 4.254 7.298 82 HA GLU 12 HA GLU 12 -0.429 4.740 5.407 83 HB2 GLU 12 HB2 GLU 12 0.736 5.372 7.545 84 HB3 GLU 12 HB3 GLU 12 0.538 3.715 8.127 85 HG2 GLU 12 HG2 GLU 12 2.036 2.881 6.409 86 HG3 GLU 12 HG3 GLU 12 1.978 4.377 5.545 87 H ILE 13 HN ILE 13 -0.531 3.000 4.074 88 HA ILE 13 HA ILE 13 -1.731 0.418 5.029 89 HB ILE 13 HB ILE 13 -2.258 0.054 2.648 90 HG12 ILE 13 HG12 ILE 13 -1.227 2.840 2.010 91 HG13 ILE 13 HG13 ILE 13 -0.196 1.404 1.859 92 HG21 ILE 13 HG21 ILE 13 -4.006 1.633 2.420 93 HG22 ILE 13 HG22 ILE 13 -3.830 1.292 4.133 94 HG23 ILE 13 HG23 ILE 13 -3.211 2.821 3.470 95 HD11 ILE 13 HD11 ILE 13 -1.786 0.377 0.303 96 HD12 ILE 13 HD12 ILE 13 -2.776 1.856 0.362 97 HD13 ILE 13 HD13 ILE 13 -1.128 1.909 -0.284 98 H ILE 14 HN ILE 14 -0.735 -1.484 3.442 99 HA ILE 14 HA ILE 14 2.061 -1.013 2.952 100 HB ILE 14 HB ILE 14 1.538 -3.433 4.652 101 HG12 ILE 14 HG12 ILE 14 2.629 -0.843 5.807 102 HG13 ILE 14 HG13 ILE 14 0.994 -1.449 6.094 103 HG21 ILE 14 HG21 ILE 14 3.564 -3.250 3.175 104 HG22 ILE 14 HG22 ILE 14 4.169 -2.021 4.312 105 HG23 ILE 14 HG23 ILE 14 3.839 -3.676 4.870 106 HD11 ILE 14 HD11 ILE 14 1.893 -3.483 7.161 107 HD12 ILE 14 HD12 ILE 14 3.537 -2.796 7.017 108 HD13 ILE 14 HD13 ILE 14 2.289 -2.003 7.999 109 H ILE 15 HN ILE 15 2.263 -1.763 0.948 110 HA ILE 15 HA ILE 15 0.429 -3.782 -0.166 111 HB ILE 15 HB ILE 15 3.090 -2.742 -1.254 112 HG12 ILE 15 HG12 ILE 15 1.863 -0.763 -1.062 113 HG13 ILE 15 HG13 ILE 15 1.738 -1.266 -2.735 114 HG21 ILE 15 HG21 ILE 15 2.117 -3.475 -3.456 115 HG22 ILE 15 HG22 ILE 15 2.432 -4.799 -2.324 116 HG23 ILE 15 HG23 ILE 15 0.781 -4.224 -2.538 117 HD11 ILE 15 HD11 ILE 15 -0.421 -1.428 -0.613 118 HD12 ILE 15 HD12 ILE 15 -0.395 -0.434 -2.079 119 HD13 ILE 15 HD13 ILE 15 -0.566 -2.200 -2.200 120 H GLN 16 HN GLN 16 0.646 -5.918 0.477 121 HA GLN 16 HA GLN 16 3.001 -6.660 1.901 122 HB2 GLN 16 HB2 GLN 16 0.422 -7.659 1.885 123 HB3 GLN 16 HB3 GLN 16 1.265 -8.869 0.918 124 HG2 GLN 16 HG2 GLN 16 3.056 -8.901 2.725 125 HG3 GLN 16 HG3 GLN 16 2.022 -7.836 3.695 126 HE21 GLN 16 HE21 GLN 16 2.443 -9.635 5.265 127 HE22 GLN 16 HE22 GLN 16 1.593 -11.136 5.114 128 H GLY 17 HN GLY 17 4.598 -8.227 1.266 129 HA2 GLY 17 HA2 GLY 17 5.243 -8.212 -1.619 130 HA3 GLY 17 HA1 GLY 17 6.247 -8.854 -0.301 131 H LEU 18 HN LEU 18 2.859 -9.894 -0.260 132 HA LEU 18 HA LEU 18 3.620 -12.527 -0.958 133 HB2 LEU 18 HB2 LEU 18 2.807 -11.140 1.464 134 HB3 LEU 18 HB3 LEU 18 1.417 -12.005 0.934 135 HG LEU 18 HG LEU 18 4.114 -13.392 1.641 136 HD11 LEU 18 HD11 LEU 18 1.251 -13.406 2.813 137 HD12 LEU 18 HD12 LEU 18 2.643 -12.622 3.615 138 HD13 LEU 18 HD13 LEU 18 2.633 -14.392 3.385 139 HD21 LEU 18 HD21 LEU 18 2.875 -15.271 1.249 140 HD22 LEU 18 HD22 LEU 18 3.481 -14.236 -0.061 141 HD23 LEU 18 HD23 LEU 18 1.712 -14.238 0.305 142 H THR 19 HN THR 19 2.011 -13.755 -2.133 143 HA THR 19 HA THR 19 0.273 -12.071 -3.738 144 HB THR 19 HB THR 19 -0.208 -14.126 -4.961 145 HG1 THR 19 HG1 THR 19 0.945 -16.048 -4.348 146 HG21 THR 19 HG21 THR 19 2.743 -14.501 -4.633 147 HG22 THR 19 HG22 THR 19 2.142 -12.867 -5.138 148 HG23 THR 19 HG23 THR 19 1.742 -14.317 -6.067 149 H ARG 20 HN ARG 20 -1.978 -12.665 -4.140 150 HA ARG 20 HA ARG 20 -3.787 -13.199 -2.102 151 HB2 ARG 20 HB2 ARG 20 -5.318 -13.860 -3.848 152 HB3 ARG 20 HB3 ARG 20 -4.405 -12.399 -4.270 153 HG2 ARG 20 HG2 ARG 20 -2.935 -13.785 -5.740 154 HG3 ARG 20 HG3 ARG 20 -3.906 -15.221 -5.372 155 HD2 ARG 20 HD2 ARG 20 -5.349 -12.757 -6.324 156 HD3 ARG 20 HD3 ARG 20 -4.333 -13.605 -7.496 157 HE ARG 20 HE ARG 20 -5.651 -15.391 -7.584 158 HH11 ARG 20 HH11 ARG 20 -7.152 -12.976 -5.328 159 HH12 ARG 20 HH12 ARG 20 -8.717 -13.602 -5.699 160 HH21 ARG 20 HH21 ARG 20 -7.767 -16.171 -7.824 161 HH22 ARG 20 HH22 ARG 20 -9.071 -15.401 -6.947 162 H ALA 21 HN ALA 21 -1.628 -15.466 -3.552 163 HA ALA 21 HA ALA 21 -3.099 -17.808 -2.458 164 HB1 ALA 21 HB1 ALA 21 -2.451 -18.020 -4.817 165 HB2 ALA 21 HB2 ALA 21 -0.751 -17.719 -4.369 166 HB3 ALA 21 HB3 ALA 21 -1.578 -19.163 -3.769 167 H GLY 22 HN GLY 22 -1.161 -15.610 -1.083 168 HA2 GLY 22 HA2 GLY 22 -0.084 -15.741 0.896 169 HA3 GLY 22 HA1 GLY 22 -0.552 -17.447 0.957 170 H LYS 23 HN LYS 23 1.505 -16.296 -1.725 171 HA LYS 23 HA LYS 23 3.879 -16.842 -0.120 172 HB2 LYS 23 HB2 LYS 23 3.063 -18.100 -2.866 173 HB3 LYS 23 HB3 LYS 23 4.748 -17.947 -2.493 174 HG2 LYS 23 HG2 LYS 23 4.542 -20.036 -1.706 175 HG3 LYS 23 HG3 LYS 23 4.029 -19.207 -0.230 176 HD2 LYS 23 HD2 LYS 23 1.659 -19.520 -0.950 177 HD3 LYS 23 HD3 LYS 23 2.187 -20.367 -2.404 178 HE2 LYS 23 HE2 LYS 23 2.612 -21.252 0.476 179 HE3 LYS 23 HE3 LYS 23 1.379 -21.873 -0.610 180 HZ1 LYS 23 HZ1 LYS 23 4.283 -22.137 -1.186 181 HZ2 LYS 23 HZ2 LYS 23 3.004 -22.915 -1.899 182 HZ3 LYS 23 HZ3 LYS 23 3.390 -23.256 -0.386 183 HA PRO 24 HA PRO 24 5.263 -13.406 -1.469 184 HB2 PRO 24 HB2 PRO 24 7.799 -13.325 -0.880 185 HB3 PRO 24 HB3 PRO 24 6.600 -13.757 0.331 186 HG2 PRO 24 HG2 PRO 24 8.247 -15.735 -1.318 187 HG3 PRO 24 HG3 PRO 24 8.088 -15.657 0.477 188 HD2 PRO 24 HD2 PRO 24 6.485 -17.261 -1.045 189 HD3 PRO 24 HD3 PRO 24 5.857 -16.397 0.389 190 H PHE 25 HN PHE 25 5.611 -12.248 -3.137 191 HA PHE 25 HA PHE 25 5.848 -13.533 -5.716 192 HB2 PHE 25 HB2 PHE 25 4.148 -11.904 -5.071 193 HB3 PHE 25 HB3 PHE 25 5.376 -10.722 -4.636 194 HD1 PHE 25 HD2 PHE 25 3.699 -12.503 -7.463 195 HD2 PHE 25 HD1 PHE 25 6.313 -9.242 -6.328 196 HE1 PHE 25 HE2 PHE 25 3.514 -11.538 -9.727 197 HE2 PHE 25 HE1 PHE 25 6.105 -8.312 -8.592 198 HZ PHE 25 HZ PHE 25 4.767 -9.487 -10.332 199 H ARG 26 HN ARG 26 7.450 -12.973 -7.442 200 HA ARG 26 HA ARG 26 9.842 -11.606 -6.448 201 HB2 ARG 26 HB2 ARG 26 9.431 -13.802 -8.474 202 HB3 ARG 26 HB3 ARG 26 10.826 -12.797 -8.566 203 HG2 ARG 26 HG2 ARG 26 11.062 -13.348 -5.957 204 HG3 ARG 26 HG3 ARG 26 10.114 -14.784 -6.409 205 HD2 ARG 26 HD2 ARG 26 12.582 -13.794 -7.864 206 HD3 ARG 26 HD3 ARG 26 12.713 -14.914 -6.518 207 HE ARG 26 HE ARG 26 11.784 -15.463 -9.251 208 HH11 ARG 26 HH11 ARG 26 11.830 -16.654 -5.899 209 HH12 ARG 26 HH12 ARG 26 11.745 -18.322 -6.325 210 HH21 ARG 26 HH21 ARG 26 11.731 -17.661 -9.857 211 HH22 ARG 26 HH22 ARG 26 11.723 -18.914 -8.658 212 HA PRO 27 HA PRO 27 11.950 -11.121 -8.173 213 HB2 PRO 27 HB2 PRO 27 13.101 -8.629 -8.090 214 HB3 PRO 27 HB3 PRO 27 12.783 -9.491 -9.626 215 HG2 PRO 27 HG2 PRO 27 11.071 -7.393 -8.257 216 HG3 PRO 27 HG3 PRO 27 11.608 -7.426 -9.956 217 HD2 PRO 27 HD2 PRO 27 9.149 -8.348 -9.256 218 HD3 PRO 27 HD3 PRO 27 10.128 -9.213 -10.485 219 H SER 28 HN SER 28 13.250 -10.772 -6.113 220 HA SER 28 HA SER 28 11.556 -10.422 -3.815 221 HB2 SER 28 HB2 SER 28 13.907 -10.310 -2.722 222 HB3 SER 28 HB3 SER 28 13.413 -11.802 -3.557 223 HG SER 28 HG SER 28 15.256 -9.817 -4.437 224 H ASP 29 HN ASP 29 13.858 -8.498 -5.547 225 HA ASP 29 HA ASP 29 13.939 -6.297 -3.768 226 HB2 ASP 29 HB2 ASP 29 15.028 -6.742 -6.574 227 HB3 ASP 29 HB3 ASP 29 15.460 -5.405 -5.502 228 H TRP 30 HN TRP 30 11.309 -6.989 -5.403 229 HA TRP 30 HA TRP 30 10.620 -4.819 -7.059 230 HB2 TRP 30 HB2 TRP 30 8.413 -5.512 -6.805 231 HB3 TRP 30 HB3 TRP 30 9.333 -6.989 -6.692 232 HD1 TRP 30 HD1 TRP 30 9.004 -8.403 -4.435 233 HE1 TRP 30 HE1 TRP 30 7.513 -8.185 -2.409 234 HE3 TRP 30 HE3 TRP 30 7.213 -3.705 -5.319 235 HZ2 TRP 30 HZ2 TRP 30 5.599 -6.144 -1.301 236 HZ3 TRP 30 HZ3 TRP 30 5.513 -2.701 -3.810 237 HH2 TRP 30 HH2 TRP 30 4.750 -3.940 -1.805 238 H VAL 31 HN VAL 31 10.633 -5.164 -3.553 239 HA VAL 31 HA VAL 31 9.271 -2.816 -2.816 240 HB VAL 31 HB VAL 31 11.451 -4.475 -1.476 241 HG11 VAL 31 HG11 VAL 31 9.608 -2.468 -0.141 242 HG12 VAL 31 HG12 VAL 31 10.714 -3.620 0.669 243 HG13 VAL 31 HG13 VAL 31 11.360 -2.317 -0.345 244 HG21 VAL 31 HG21 VAL 31 9.502 -5.812 -1.872 245 HG22 VAL 31 HG22 VAL 31 9.384 -5.299 -0.183 246 HG23 VAL 31 HG23 VAL 31 8.411 -4.478 -1.394 247 H ASP 32 HN ASP 32 12.631 -3.250 -3.925 248 HA ASP 32 HA ASP 32 13.360 -0.471 -3.269 249 HB2 ASP 32 HB2 ASP 32 14.764 -2.896 -4.356 250 HB3 ASP 32 HB3 ASP 32 15.456 -1.306 -4.677 251 H ARG 33 HN ARG 33 11.989 -2.262 -5.863 252 HA ARG 33 HA ARG 33 12.825 -0.441 -8.040 253 HB2 ARG 33 HB2 ARG 33 10.611 -2.531 -7.850 254 HB3 ARG 33 HB3 ARG 33 10.834 -1.528 -9.252 255 HG2 ARG 33 HG2 ARG 33 13.306 -2.921 -8.285 256 HG3 ARG 33 HG3 ARG 33 12.018 -3.971 -8.881 257 HD2 ARG 33 HD2 ARG 33 12.041 -3.013 -11.048 258 HD3 ARG 33 HD3 ARG 33 12.877 -1.563 -10.505 259 HE ARG 33 HE ARG 33 14.061 -4.235 -10.992 260 HH11 ARG 33 HH11 ARG 33 14.566 -0.805 -10.163 261 HH12 ARG 33 HH12 ARG 33 16.271 -0.846 -10.337 262 HH21 ARG 33 HH21 ARG 33 16.402 -4.193 -11.532 263 HH22 ARG 33 HH22 ARG 33 17.210 -2.675 -11.393 264 H MET 34 HN MET 34 9.950 -0.926 -5.966 265 HA MET 34 HA MET 34 8.518 1.284 -7.066 266 HB2 MET 34 HB2 MET 34 8.298 0.072 -4.282 267 HB3 MET 34 HB3 MET 34 7.142 1.196 -5.015 268 HG2 MET 34 HG2 MET 34 7.818 -1.605 -5.936 269 HG3 MET 34 HG3 MET 34 6.305 -1.064 -5.247 270 HE1 MET 34 HE1 MET 34 4.629 0.869 -8.231 271 HE2 MET 34 HE2 MET 34 4.335 0.085 -6.680 272 HE3 MET 34 HE3 MET 34 5.407 1.506 -6.768 273 H CYS 35 HN CYS 35 10.642 1.190 -4.076 274 HA CYS 35 HA CYS 35 10.185 3.852 -3.395 275 HB2 CYS 35 HB2 CYS 35 12.154 3.767 -2.056 276 HB3 CYS 35 HB3 CYS 35 11.417 2.163 -2.044 277 HG CYS 35 HG CYS 35 14.050 3.179 -3.674 278 H SER 36 HN SER 36 12.601 2.580 -5.674 279 HA SER 36 HA SER 36 13.859 5.054 -6.282 280 HB2 SER 36 HB2 SER 36 13.646 2.545 -7.900 281 HB3 SER 36 HB3 SER 36 14.896 3.790 -8.064 282 HG SER 36 HG SER 36 14.557 1.774 -6.151 283 H THR 37 HN THR 37 10.894 3.592 -7.528 284 HA THR 37 HA THR 37 10.784 5.369 -9.844 285 HB THR 37 HB THR 37 8.708 3.416 -8.772 286 HG1 THR 37 HG1 THR 37 10.530 2.259 -9.088 287 HG21 THR 37 HG21 THR 37 7.655 4.671 -10.467 288 HG22 THR 37 HG22 THR 37 8.273 3.260 -11.345 289 HG23 THR 37 HG23 THR 37 9.138 4.799 -11.444 290 H TYR 38 HN TYR 38 10.145 5.790 -6.560 291 HA TYR 38 HA TYR 38 8.183 7.979 -7.043 292 HB2 TYR 38 HB2 TYR 38 8.347 5.867 -4.878 293 HB3 TYR 38 HB3 TYR 38 7.530 7.400 -4.609 294 HD1 TYR 38 HD1 TYR 38 7.517 4.482 -7.010 295 HD2 TYR 38 HD2 TYR 38 5.304 7.717 -5.231 296 HE1 TYR 38 HE1 TYR 38 5.523 3.745 -8.207 297 HE2 TYR 38 HE2 TYR 38 3.286 6.976 -6.387 298 HH TYR 38 HH TYR 38 2.326 5.319 -7.720 299 H ALA 39 HN ALA 39 11.015 8.180 -7.330 300 HA ALA 39 HA ALA 39 11.754 9.999 -5.124 301 HB1 ALA 39 HB1 ALA 39 12.340 7.703 -4.488 302 HB2 ALA 39 HB2 ALA 39 13.265 7.496 -5.992 303 HB3 ALA 39 HB3 ALA 39 13.801 8.669 -4.770 304 H SER 40 HN SER 40 14.150 10.722 -5.519 305 HA SER 40 HA SER 40 14.694 11.273 -8.391 306 HB2 SER 40 HB2 SER 40 14.779 13.759 -7.651 307 HB3 SER 40 HB3 SER 40 13.183 13.035 -7.891 308 HG SER 40 HG SER 40 14.522 13.534 -5.422 309 H PHE 41 HN PHE 41 16.692 12.507 -8.642 310 HA PHE 41 HA PHE 41 18.782 11.962 -6.630 311 HB2 PHE 41 HB2 PHE 41 18.586 13.136 -9.414 312 HB3 PHE 41 HB3 PHE 41 19.987 13.467 -8.394 313 HD1 PHE 41 HD1 PHE 41 18.541 10.119 -7.912 314 HD2 PHE 41 HD2 PHE 41 21.305 12.421 -10.309 315 HE1 PHE 41 HE1 PHE 41 19.622 8.100 -8.557 316 HE2 PHE 41 HE2 PHE 41 22.425 10.309 -10.974 317 HZ PHE 41 HZ PHE 41 21.581 8.126 -10.141 318 H GLY 42 HN GLY 42 19.440 13.539 -5.242 319 HA2 GLY 42 HA2 GLY 42 17.946 16.098 -5.133 320 HA3 GLY 42 HA1 GLY 42 19.198 15.530 -4.017 321 H ALA 43 HN ALA 43 19.679 17.889 -4.562 322 HA ALA 43 HA ALA 43 20.895 18.992 -6.762 323 HB1 ALA 43 HB1 ALA 43 21.801 19.105 -3.836 324 HB2 ALA 43 HB2 ALA 43 22.237 20.276 -5.084 325 HB3 ALA 43 HB3 ALA 43 20.545 20.115 -4.572 326 H ASP 44 HN ASP 44 22.307 16.687 -4.488 327 HA ASP 44 HA ASP 44 24.986 16.957 -5.611 328 HB2 ASP 44 HB2 ASP 44 24.025 15.153 -3.373 329 HB3 ASP 44 HB3 ASP 44 25.681 15.670 -3.723 330 H ARG 45 HN ARG 45 22.517 15.346 -6.785 331 HA ARG 45 HA ARG 45 22.159 13.616 -8.195 332 HB2 ARG 45 HB2 ARG 45 25.181 13.468 -8.506 333 HB3 ARG 45 HB3 ARG 45 23.983 12.666 -9.509 334 HG2 ARG 45 HG2 ARG 45 24.287 14.506 -10.808 335 HG3 ARG 45 HG3 ARG 45 22.968 15.083 -9.801 336 HD2 ARG 45 HD2 ARG 45 25.106 15.917 -8.306 337 HD3 ARG 45 HD3 ARG 45 25.858 15.908 -9.893 338 HE ARG 45 HE ARG 45 23.893 17.716 -8.802 339 HH11 ARG 45 HH11 ARG 45 25.038 16.414 -11.891 340 HH12 ARG 45 HH12 ARG 45 24.333 17.645 -12.874 341 HH21 ARG 45 HH21 ARG 45 22.889 19.349 -10.048 342 HH22 ARG 45 HH22 ARG 45 23.141 19.490 -11.721 343 H LYS 46 HN LYS 46 23.078 13.046 -5.187 344 HA LYS 46 HA LYS 46 22.988 10.088 -5.464 345 HB2 LYS 46 HB2 LYS 46 24.471 11.114 -3.771 346 HB3 LYS 46 HB3 LYS 46 23.088 11.920 -3.018 347 HG2 LYS 46 HG2 LYS 46 22.296 9.980 -2.044 348 HG3 LYS 46 HG3 LYS 46 23.001 8.919 -3.270 349 HD2 LYS 46 HD2 LYS 46 25.170 9.042 -2.382 350 HD3 LYS 46 HD3 LYS 46 24.839 10.490 -1.434 351 HE2 LYS 46 HE2 LYS 46 23.376 7.901 -0.857 352 HE3 LYS 46 HE3 LYS 46 25.001 8.198 -0.215 353 HZ1 LYS 46 HZ1 LYS 46 23.227 8.872 1.299 354 HZ2 LYS 46 HZ2 LYS 46 22.745 10.057 0.224 355 HZ3 LYS 46 HZ3 LYS 46 24.230 10.106 0.901 356 H LEU 47 HN LEU 47 21.251 8.921 -4.874 357 HA LEU 47 HA LEU 47 18.718 10.059 -5.517 358 HB2 LEU 47 HB2 LEU 47 19.798 7.703 -5.886 359 HB3 LEU 47 HB3 LEU 47 19.083 7.317 -4.326 360 HG LEU 47 HG LEU 47 17.550 8.553 -6.663 361 HD11 LEU 47 HD11 LEU 47 17.780 5.638 -5.925 362 HD12 LEU 47 HD12 LEU 47 18.540 6.465 -7.331 363 HD13 LEU 47 HD13 LEU 47 16.780 6.348 -7.226 364 HD21 LEU 47 HD21 LEU 47 16.687 7.316 -4.032 365 HD22 LEU 47 HD22 LEU 47 15.628 7.229 -5.456 366 HD23 LEU 47 HD23 LEU 47 16.103 8.791 -4.846 367 H ARG 48 HN ARG 48 16.988 10.546 -4.159 368 HA ARG 48 HA ARG 48 17.081 9.862 -1.289 369 HB2 ARG 48 HB2 ARG 48 16.957 12.544 -2.588 370 HB3 ARG 48 HB3 ARG 48 15.589 12.260 -1.541 371 HG2 ARG 48 HG2 ARG 48 18.505 11.856 -0.702 372 HG3 ARG 48 HG3 ARG 48 17.668 13.383 -0.498 373 HD2 ARG 48 HD2 ARG 48 16.640 10.788 0.696 374 HD3 ARG 48 HD3 ARG 48 17.777 11.838 1.540 375 HE ARG 48 HE ARG 48 15.854 13.606 0.922 376 HH11 ARG 48 HH11 ARG 48 15.595 10.427 2.606 377 HH12 ARG 48 HH12 ARG 48 14.520 11.095 3.811 378 HH21 ARG 48 HH21 ARG 48 14.112 14.237 2.396 379 HH22 ARG 48 HH22 ARG 48 13.649 13.095 3.621 380 H TYR 49 HN TYR 49 15.627 8.368 -1.062 381 HA TYR 49 HA TYR 49 13.231 8.195 -2.678 382 HB2 TYR 49 HB2 TYR 49 13.854 6.923 -0.001 383 HB3 TYR 49 HB3 TYR 49 12.571 6.461 -1.098 384 HD1 TYR 49 HD2 TYR 49 13.896 6.339 -3.734 385 HD2 TYR 49 HD1 TYR 49 15.360 5.137 0.104 386 HE1 TYR 49 HE2 TYR 49 15.369 4.704 -4.842 387 HE2 TYR 49 HE1 TYR 49 16.800 3.409 -0.985 388 HH TYR 49 HH TYR 49 16.502 2.671 -4.440 389 H SER 50 HN SER 50 11.056 8.466 -1.833 390 HA SER 50 HA SER 50 10.656 10.902 -0.296 391 HB2 SER 50 HB2 SER 50 8.751 8.712 -1.273 392 HB3 SER 50 HB3 SER 50 8.251 10.260 -0.564 393 HG SER 50 HG SER 50 9.172 9.699 -3.088 394 HA PRO 51 HA PRO 51 10.338 8.934 3.741 395 HB2 PRO 51 HB2 PRO 51 8.719 10.637 5.108 396 HB3 PRO 51 HB3 PRO 51 10.366 11.103 4.587 397 HG2 PRO 51 HG2 PRO 51 7.727 11.705 3.191 398 HG3 PRO 51 HG3 PRO 51 9.054 12.845 3.578 399 HD2 PRO 51 HD2 PRO 51 8.831 11.704 1.128 400 HD3 PRO 51 HD3 PRO 51 10.433 12.005 1.882 401 H TYR 52 HN TYR 52 7.510 9.598 1.764 402 HA TYR 52 HA TYR 52 5.533 8.401 3.388 403 HB2 TYR 52 HB2 TYR 52 5.565 8.740 0.367 404 HB3 TYR 52 HB3 TYR 52 4.142 8.510 1.372 405 HD1 TYR 52 HD1 TYR 52 4.419 10.347 3.594 406 HD2 TYR 52 HD2 TYR 52 5.431 10.896 -0.560 407 HE1 TYR 52 HE1 TYR 52 4.244 12.756 3.894 408 HE2 TYR 52 HE2 TYR 52 5.252 13.350 -0.282 409 HH TYR 52 HH TYR 52 5.083 15.120 1.301 410 H LEU 53 HN LEU 53 8.048 6.828 1.787 411 HA LEU 53 HA LEU 53 6.450 4.401 1.253 412 HB2 LEU 53 HB2 LEU 53 7.570 6.441 -0.573 413 HB3 LEU 53 HB3 LEU 53 8.095 4.801 -0.976 414 HG LEU 53 HG LEU 53 5.183 5.567 -0.525 415 HD11 LEU 53 HD11 LEU 53 4.924 5.700 -2.945 416 HD12 LEU 53 HD12 LEU 53 6.645 5.313 -3.181 417 HD13 LEU 53 HD13 LEU 53 6.162 6.852 -2.425 418 HD21 LEU 53 HD21 LEU 53 6.408 3.198 -2.000 419 HD22 LEU 53 HD22 LEU 53 4.694 3.454 -1.645 420 HD23 LEU 53 HD23 LEU 53 5.808 3.108 -0.341 421 H LYS 54 HN LYS 54 7.526 3.000 2.541 422 HA LYS 54 HA LYS 54 10.475 2.969 2.301 423 HB2 LYS 54 HB2 LYS 54 8.958 3.239 4.932 424 HB3 LYS 54 HB3 LYS 54 10.620 2.663 4.816 425 HG2 LYS 54 HG2 LYS 54 10.945 4.912 3.369 426 HG3 LYS 54 HG3 LYS 54 9.539 5.441 4.311 427 HD2 LYS 54 HD2 LYS 54 12.190 4.367 5.362 428 HD3 LYS 54 HD3 LYS 54 11.720 6.073 5.318 429 HE2 LYS 54 HE2 LYS 54 10.135 5.843 7.028 430 HE3 LYS 54 HE3 LYS 54 9.970 4.097 6.798 431 HZ1 LYS 54 HZ1 LYS 54 12.058 3.722 7.761 432 HZ2 LYS 54 HZ2 LYS 54 11.263 4.754 8.770 433 HZ3 LYS 54 HZ3 LYS 54 12.459 5.320 7.777 434 HA PRO 55 HA PRO 55 9.792 -1.401 2.441 435 HB2 PRO 55 HB2 PRO 55 12.175 -2.293 3.493 436 HB3 PRO 55 HB3 PRO 55 11.991 -1.738 1.812 437 HG2 PRO 55 HG2 PRO 55 13.045 -0.196 4.186 438 HG3 PRO 55 HG3 PRO 55 13.711 -0.283 2.519 439 HD2 PRO 55 HD2 PRO 55 12.142 1.794 3.399 440 HD3 PRO 55 HD3 PRO 55 12.092 1.240 1.717 441 H ARG 56 HN ARG 56 9.445 -3.009 3.976 442 HA ARG 56 HA ARG 56 10.318 -2.587 6.702 443 HB2 ARG 56 HB2 ARG 56 7.418 -3.095 5.987 444 HB3 ARG 56 HB3 ARG 56 8.113 -3.818 7.468 445 HG2 ARG 56 HG2 ARG 56 8.967 -1.517 8.097 446 HG3 ARG 56 HG3 ARG 56 7.998 -0.860 6.760 447 HD2 ARG 56 HD2 ARG 56 6.011 -2.009 7.776 448 HD3 ARG 56 HD3 ARG 56 6.989 -2.432 9.180 449 HE ARG 56 HE ARG 56 5.888 0.187 8.450 450 HH11 ARG 56 HH11 ARG 56 8.370 -1.351 10.510 451 HH12 ARG 56 HH12 ARG 56 8.389 -0.037 11.641 452 HH21 ARG 56 HH21 ARG 56 5.913 1.834 9.946 453 HH22 ARG 56 HH22 ARG 56 6.773 1.686 11.457 454 H VAL 57 HN VAL 57 9.790 -5.120 7.663 455 HA VAL 57 HA VAL 57 9.207 -7.016 5.715 456 HB VAL 57 HB VAL 57 11.385 -6.977 5.370 457 HG11 VAL 57 HG11 VAL 57 12.037 -6.785 8.201 458 HG12 VAL 57 HG12 VAL 57 13.203 -7.525 7.026 459 HG13 VAL 57 HG13 VAL 57 12.590 -5.912 6.760 460 HG21 VAL 57 HG21 VAL 57 12.154 -9.286 5.880 461 HG22 VAL 57 HG22 VAL 57 10.980 -9.362 7.209 462 HG23 VAL 57 HG23 VAL 57 10.419 -9.228 5.529 463 H ILE 58 HN ILE 58 7.788 -8.394 6.623 464 HA ILE 58 HA ILE 58 7.514 -8.589 9.540 465 HB ILE 58 HB ILE 58 5.179 -8.301 7.548 466 HG12 ILE 58 HG12 ILE 58 6.214 -6.353 9.666 467 HG13 ILE 58 HG13 ILE 58 6.118 -6.083 8.030 468 HG21 ILE 58 HG21 ILE 58 4.716 -9.923 9.294 469 HG22 ILE 58 HG22 ILE 58 5.198 -8.770 10.563 470 HG23 ILE 58 HG23 ILE 58 3.758 -8.503 9.555 471 HD11 ILE 58 HD11 ILE 58 4.349 -4.869 8.930 472 HD12 ILE 58 HD12 ILE 58 3.608 -6.261 8.124 473 HD13 ILE 58 HD13 ILE 58 3.775 -6.260 9.882 474 H GLU 59 HN GLU 59 7.551 -10.753 9.991 475 HA GLU 59 HA GLU 59 7.834 -12.987 9.678 476 HB2 GLU 59 HB2 GLU 59 5.384 -12.515 7.953 477 HB3 GLU 59 HB3 GLU 59 5.959 -14.117 8.468 478 HG2 GLU 59 HG2 GLU 59 5.876 -13.419 10.816 479 HG3 GLU 59 HG3 GLU 59 5.295 -11.817 10.388 480 H GLY 60 HN GLY 60 9.585 -11.437 8.122 481 HA2 GLY 60 HA2 GLY 60 11.242 -11.790 6.577 482 HA3 GLY 60 HA1 GLY 60 10.540 -13.365 6.182 483 H VAL 61 HN VAL 61 7.950 -11.384 5.758 484 HA VAL 61 HA VAL 61 8.443 -11.108 2.881 485 HB VAL 61 HB VAL 61 5.904 -10.279 4.371 486 HG11 VAL 61 HG11 VAL 61 6.310 -11.490 1.595 487 HG12 VAL 61 HG12 VAL 61 4.842 -10.745 2.271 488 HG13 VAL 61 HG13 VAL 61 6.252 -9.741 1.919 489 HG21 VAL 61 HG21 VAL 61 5.015 -12.569 3.919 490 HG22 VAL 61 HG22 VAL 61 6.674 -13.097 3.538 491 HG23 VAL 61 HG23 VAL 61 6.255 -12.515 5.166 492 H ARG 62 HN ARG 62 9.405 -9.445 2.248 493 HA ARG 62 HA ARG 62 10.328 -7.176 3.574 494 HB2 ARG 62 HB2 ARG 62 9.645 -7.499 0.598 495 HB3 ARG 62 HB3 ARG 62 10.754 -6.300 1.287 496 HG2 ARG 62 HG2 ARG 62 12.281 -8.062 1.999 497 HG3 ARG 62 HG3 ARG 62 11.145 -9.302 1.531 498 HD2 ARG 62 HD2 ARG 62 11.930 -7.439 -0.644 499 HD3 ARG 62 HD3 ARG 62 13.143 -8.571 -0.104 500 HE ARG 62 HE ARG 62 10.838 -9.110 -1.664 501 HH11 ARG 62 HH11 ARG 62 13.213 -10.667 0.507 502 HH12 ARG 62 HH12 ARG 62 12.785 -12.277 0.042 503 HH21 ARG 62 HH21 ARG 62 10.147 -11.312 -2.117 504 HH22 ARG 62 HH22 ARG 62 11.256 -12.601 -1.734 505 H CYS 63 HN CYS 63 7.676 -6.948 1.096 506 HA CYS 63 HA CYS 63 5.835 -5.634 0.980 507 HB2 CYS 63 HB2 CYS 63 5.778 -5.169 3.994 508 HB3 CYS 63 HB3 CYS 63 4.460 -5.231 2.860 509 HG CYS 63 HG CYS 63 6.343 -7.591 4.113 510 H LEU 64 HN LEU 64 4.968 -3.357 1.462 511 HA LEU 64 HA LEU 64 7.179 -1.367 1.527 512 HB2 LEU 64 HB2 LEU 64 6.889 -2.141 -0.787 513 HB3 LEU 64 HB3 LEU 64 5.133 -1.976 -0.643 514 HG LEU 64 HG LEU 64 5.375 0.503 -0.406 515 HD11 LEU 64 HD11 LEU 64 7.655 0.666 0.478 516 HD12 LEU 64 HD12 LEU 64 7.566 1.493 -1.072 517 HD13 LEU 64 HD13 LEU 64 8.320 -0.118 -0.982 518 HD21 LEU 64 HD21 LEU 64 5.934 0.868 -2.776 519 HD22 LEU 64 HD22 LEU 64 4.915 -0.555 -2.576 520 HD23 LEU 64 HD23 LEU 64 6.653 -0.760 -2.858 521 H ALA 65 HN ALA 65 6.489 0.065 3.095 522 HA ALA 65 HA ALA 65 3.639 0.235 3.831 523 HB1 ALA 65 HB1 ALA 65 4.459 1.735 5.580 524 HB2 ALA 65 HB2 ALA 65 5.366 0.207 5.604 525 HB3 ALA 65 HB3 ALA 65 6.104 1.674 4.905 526 H VAL 66 HN VAL 66 2.368 2.130 3.446 527 HA VAL 66 HA VAL 66 3.583 4.229 1.750 528 HB VAL 66 HB VAL 66 0.877 3.175 1.019 529 HG11 VAL 66 HG11 VAL 66 3.091 4.587 -0.508 530 HG12 VAL 66 HG12 VAL 66 1.502 4.140 -1.153 531 HG13 VAL 66 HG13 VAL 66 1.631 5.343 0.146 532 HG21 VAL 66 HG21 VAL 66 1.851 1.724 -0.664 533 HG22 VAL 66 HG22 VAL 66 3.490 2.073 -0.043 534 HG23 VAL 66 HG23 VAL 66 2.302 1.170 0.924 535 H ASP 67 HN ASP 67 3.347 5.960 2.855 536 HA ASP 67 HA ASP 67 1.442 6.450 4.995 537 HB2 ASP 67 HB2 ASP 67 3.827 7.407 4.778 538 HB3 ASP 67 HB3 ASP 67 3.168 8.479 3.545 539 H LEU 68 HN LEU 68 -0.611 7.226 4.780 540 HA LEU 68 HA LEU 68 -1.761 7.577 2.189 541 HB2 LEU 68 HB2 LEU 68 -2.685 7.447 4.943 542 HB3 LEU 68 HB3 LEU 68 -3.478 8.784 4.138 543 HG LEU 68 HG LEU 68 -3.313 5.969 3.001 544 HD11 LEU 68 HD11 LEU 68 -4.473 5.880 5.159 545 HD12 LEU 68 HD12 LEU 68 -5.641 5.673 3.845 546 HD13 LEU 68 HD13 LEU 68 -5.524 7.232 4.688 547 HD21 LEU 68 HD21 LEU 68 -5.084 8.376 2.332 548 HD22 LEU 68 HD22 LEU 68 -5.319 6.760 1.672 549 HD23 LEU 68 HD23 LEU 68 -3.845 7.644 1.297 550 H LYS 69 HN LYS 69 -0.010 9.827 4.160 551 HA LYS 69 HA LYS 69 -1.141 12.287 3.205 552 HB2 LYS 69 HB2 LYS 69 0.574 11.828 5.097 553 HB3 LYS 69 HB3 LYS 69 1.792 11.827 3.816 554 HG2 LYS 69 HG2 LYS 69 -0.245 14.078 4.098 555 HG3 LYS 69 HG3 LYS 69 1.063 14.003 5.256 556 HD2 LYS 69 HD2 LYS 69 2.702 14.545 3.833 557 HD3 LYS 69 HD3 LYS 69 1.913 13.867 2.407 558 HE2 LYS 69 HE2 LYS 69 1.101 16.434 3.844 559 HE3 LYS 69 HE3 LYS 69 2.028 16.260 2.346 560 HZ1 LYS 69 HZ1 LYS 69 -0.037 14.926 1.594 561 HZ2 LYS 69 HZ2 LYS 69 -0.071 16.577 1.527 562 HZ3 LYS 69 HZ3 LYS 69 -0.835 15.823 2.711 563 H LEU 70 HN LEU 70 0.895 9.860 1.602 564 HA LEU 70 HA LEU 70 1.701 11.574 -0.543 565 HB2 LEU 70 HB2 LEU 70 2.881 9.576 -0.253 566 HB3 LEU 70 HB3 LEU 70 1.434 8.610 -0.329 567 HG LEU 70 HG LEU 70 1.176 9.453 -2.782 568 HD11 LEU 70 HD11 LEU 70 3.983 10.476 -2.266 569 HD12 LEU 70 HD12 LEU 70 2.566 11.461 -2.661 570 HD13 LEU 70 HD13 LEU 70 3.224 10.340 -3.856 571 HD21 LEU 70 HD21 LEU 70 3.690 7.893 -2.170 572 HD22 LEU 70 HD22 LEU 70 2.784 7.930 -3.707 573 HD23 LEU 70 HD23 LEU 70 2.042 7.225 -2.268 574 H LYS 71 HN LYS 71 -1.369 9.677 0.055 575 HA LYS 71 HA LYS 71 -2.388 10.146 -2.619 576 HB2 LYS 71 HB2 LYS 71 -3.284 8.384 -0.981 577 HB3 LYS 71 HB3 LYS 71 -3.939 9.706 -0.024 578 HG2 LYS 71 HG2 LYS 71 -5.782 8.917 -1.205 579 HG3 LYS 71 HG3 LYS 71 -5.323 10.369 -2.075 580 HD2 LYS 71 HD2 LYS 71 -4.032 8.753 -3.669 581 HD3 LYS 71 HD3 LYS 71 -4.954 7.465 -2.867 582 HE2 LYS 71 HE2 LYS 71 -7.072 8.533 -3.540 583 HE3 LYS 71 HE3 LYS 71 -6.182 9.900 -4.198 584 HZ1 LYS 71 HZ1 LYS 71 -6.213 7.160 -5.358 585 HZ2 LYS 71 HZ2 LYS 71 -5.194 8.378 -5.859 586 HZ3 LYS 71 HZ3 LYS 71 -6.804 8.526 -5.964 587 H ASP 72 HN ASP 72 -2.402 12.021 0.383 588 HA ASP 72 HA ASP 72 -4.278 14.007 -0.466 589 HB2 ASP 72 HB2 ASP 72 -3.540 13.543 1.850 590 HB3 ASP 72 HB3 ASP 72 -1.970 14.172 1.488 591 H THR 73 HN THR 73 -0.825 13.702 -0.887 592 HA THR 73 HA THR 73 -0.655 16.403 -2.160 593 HB THR 73 HB THR 73 0.811 15.799 -0.254 594 HG1 THR 73 HG1 THR 73 2.340 16.426 -2.538 595 HG21 THR 73 HG21 THR 73 1.392 13.507 -0.958 596 HG22 THR 73 HG22 THR 73 2.792 14.491 -0.513 597 HG23 THR 73 HG23 THR 73 2.435 14.158 -2.226 598 H ASN 74 HN ASN 74 -0.427 13.035 -3.160 599 HA ASN 74 HA ASN 74 -0.396 13.858 -5.946 600 HB2 ASN 74 HB2 ASN 74 2.025 13.703 -5.567 601 HB3 ASN 74 HB3 ASN 74 1.830 12.095 -4.863 602 HD21 ASN 74 HD21 ASN 74 3.398 11.413 -6.593 603 HD22 ASN 74 HD22 ASN 74 2.888 11.232 -8.228 604 HA PRO 75 HA PRO 75 -3.096 10.450 -4.518 605 HB2 PRO 75 HB2 PRO 75 -5.302 11.168 -6.120 606 HB3 PRO 75 HB3 PRO 75 -5.001 11.718 -4.454 607 HG2 PRO 75 HG2 PRO 75 -4.316 13.147 -7.021 608 HG3 PRO 75 HG3 PRO 75 -5.094 13.808 -5.543 609 HD2 PRO 75 HD2 PRO 75 -2.459 14.146 -5.965 610 HD3 PRO 75 HD3 PRO 75 -3.044 13.753 -4.341 611 H GLU 76 HN GLU 76 -2.404 11.610 -7.799 612 HA GLU 76 HA GLU 76 -3.080 9.301 -9.295 613 HB2 GLU 76 HB2 GLU 76 -2.488 11.642 -10.067 614 HB3 GLU 76 HB3 GLU 76 -0.778 11.272 -9.741 615 HG2 GLU 76 HG2 GLU 76 -0.717 9.624 -11.471 616 HG3 GLU 76 HG3 GLU 76 -2.477 9.521 -11.553 617 H GLY 77 HN GLY 77 -0.013 10.275 -7.717 618 HA2 GLY 77 HA2 GLY 77 1.558 8.035 -8.566 619 HA3 GLY 77 HA1 GLY 77 1.885 9.050 -7.149 620 H PHE 78 HN PHE 78 -0.159 8.638 -5.459 621 HA PHE 78 HA PHE 78 0.387 6.105 -4.266 622 HB2 PHE 78 HB2 PHE 78 -0.515 8.191 -3.152 623 HB3 PHE 78 HB3 PHE 78 -2.045 7.927 -3.949 624 HD1 PHE 78 HD2 PHE 78 -3.441 5.873 -3.327 625 HD2 PHE 78 HD1 PHE 78 0.075 7.036 -1.105 626 HE1 PHE 78 HE2 PHE 78 -4.257 4.651 -1.348 627 HE2 PHE 78 HE1 PHE 78 -0.707 5.709 0.827 628 HZ PHE 78 HZ PHE 78 -2.883 4.497 0.692 629 H ASN 79 HN ASN 79 -2.304 7.175 -6.374 630 HA ASN 79 HA ASN 79 -3.889 4.839 -6.414 631 HB2 ASN 79 HB2 ASN 79 -4.754 6.801 -7.380 632 HB3 ASN 79 HB3 ASN 79 -3.371 7.121 -8.309 633 HD21 ASN 79 HD21 ASN 79 -3.284 6.423 -10.459 634 HD22 ASN 79 HD22 ASN 79 -4.385 5.244 -11.107 635 H GLN 80 HN GLN 80 -1.306 5.761 -8.800 636 HA GLN 80 HA GLN 80 -1.383 3.330 -10.213 637 HB2 GLN 80 HB2 GLN 80 0.931 5.277 -9.750 638 HB3 GLN 80 HB3 GLN 80 0.956 3.922 -10.863 639 HG2 GLN 80 HG2 GLN 80 -1.250 5.029 -11.829 640 HG3 GLN 80 HG3 GLN 80 -0.598 6.485 -11.097 641 HE21 GLN 80 HE21 GLN 80 1.512 7.377 -12.014 642 HE22 GLN 80 HE22 GLN 80 1.990 6.801 -13.603 643 H LEU 81 HN LEU 81 0.313 4.119 -7.207 644 HA LEU 81 HA LEU 81 1.944 1.792 -7.068 645 HB2 LEU 81 HB2 LEU 81 1.777 4.051 -5.620 646 HB3 LEU 81 HB3 LEU 81 0.744 3.059 -4.606 647 HG LEU 81 HG LEU 81 3.279 1.738 -5.380 648 HD11 LEU 81 HD11 LEU 81 3.354 4.093 -3.488 649 HD12 LEU 81 HD12 LEU 81 4.099 4.033 -5.099 650 HD13 LEU 81 HD13 LEU 81 4.684 2.951 -3.849 651 HD21 LEU 81 HD21 LEU 81 1.896 2.228 -2.726 652 HD22 LEU 81 HD22 LEU 81 3.248 1.103 -2.990 653 HD23 LEU 81 HD23 LEU 81 1.666 0.795 -3.732 654 H MET 82 HN MET 82 -1.304 2.532 -5.769 655 HA MET 82 HA MET 82 -1.764 0.013 -4.604 656 HB2 MET 82 HB2 MET 82 -3.814 1.980 -5.739 657 HB3 MET 82 HB3 MET 82 -4.191 0.562 -4.775 658 HG2 MET 82 HG2 MET 82 -2.498 1.629 -3.034 659 HG3 MET 82 HG3 MET 82 -2.818 3.102 -3.954 660 HE1 MET 82 HE1 MET 82 -5.540 0.921 -1.056 661 HE2 MET 82 HE2 MET 82 -4.898 0.053 -2.463 662 HE3 MET 82 HE3 MET 82 -3.783 0.750 -1.266 663 H HIS 83 HN HIS 83 -2.530 1.243 -7.895 664 HA HIS 83 HA HIS 83 -3.887 -1.001 -8.855 665 HB2 HIS 83 HB2 HIS 83 -3.653 1.179 -10.032 666 HB3 HIS 83 HB3 HIS 83 -1.977 0.794 -10.410 667 HD1 HIS 83 HD1 HIS 83 -1.978 0.242 -12.980 668 HD2 HIS 83 HD2 HIS 83 -4.928 -1.737 -10.760 669 HE1 HIS 83 HE1 HIS 83 -3.333 -1.103 -14.646 670 H PHE 84 HN PHE 84 -0.364 -0.325 -9.038 671 HA PHE 84 HA PHE 84 0.518 -2.692 -10.176 672 HB2 PHE 84 HB2 PHE 84 1.987 -0.876 -9.776 673 HB3 PHE 84 HB3 PHE 84 1.688 -0.875 -8.058 674 HD1 PHE 84 HD2 PHE 84 2.487 -2.852 -6.637 675 HD2 PHE 84 HD1 PHE 84 3.822 -2.142 -10.667 676 HE1 PHE 84 HE2 PHE 84 4.609 -4.017 -6.125 677 HE2 PHE 84 HE1 PHE 84 5.939 -3.347 -10.166 678 HZ PHE 84 HZ PHE 84 6.367 -4.229 -7.906 679 H ALA 85 HN ALA 85 -0.467 -2.223 -6.740 680 HA ALA 85 HA ALA 85 0.432 -4.810 -5.864 681 HB1 ALA 85 HB1 ALA 85 -1.893 -3.214 -4.738 682 HB2 ALA 85 HB2 ALA 85 -0.962 -4.476 -3.938 683 HB3 ALA 85 HB3 ALA 85 -0.188 -2.915 -4.345 684 H THR 86 HN THR 86 -2.843 -3.644 -6.866 685 HA THR 86 HA THR 86 -4.178 -6.096 -6.750 686 HB THR 86 HB THR 86 -4.695 -3.856 -8.757 687 HG1 THR 86 HG1 THR 86 -5.453 -2.637 -7.236 688 HG21 THR 86 HG21 THR 86 -6.570 -5.691 -7.184 689 HG22 THR 86 HG22 THR 86 -6.168 -5.856 -8.898 690 HG23 THR 86 HG23 THR 86 -7.063 -4.433 -8.347 691 H GLU 87 HN GLU 87 -2.414 -4.571 -9.497 692 HA GLU 87 HA GLU 87 -3.024 -6.342 -11.515 693 HB2 GLU 87 HB2 GLU 87 -0.686 -4.532 -10.851 694 HB3 GLU 87 HB3 GLU 87 -0.653 -5.484 -12.339 695 HG2 GLU 87 HG2 GLU 87 -2.867 -3.551 -11.574 696 HG3 GLU 87 HG3 GLU 87 -1.445 -3.103 -12.524 697 H ASN 88 HN ASN 88 -0.286 -6.478 -9.255 698 HA ASN 88 HA ASN 88 0.847 -8.913 -10.453 699 HB2 ASN 88 HB2 ASN 88 1.563 -7.268 -7.998 700 HB3 ASN 88 HB3 ASN 88 2.444 -8.703 -8.509 701 HD21 ASN 88 HD21 ASN 88 2.166 -5.309 -8.941 702 HD22 ASN 88 HD22 ASN 88 3.457 -5.171 -10.112 703 H GLN 89 HN GLN 89 -1.786 -8.361 -8.511 704 HA GLN 89 HA GLN 89 -3.091 -9.482 -7.184 705 HB2 GLN 89 HB2 GLN 89 -1.605 -12.063 -7.632 706 HB3 GLN 89 HB3 GLN 89 -3.302 -11.789 -7.266 707 HG2 GLN 89 HG2 GLN 89 -1.970 -11.141 -9.926 708 HG3 GLN 89 HG3 GLN 89 -2.828 -12.633 -9.551 709 HE21 GLN 89 HE21 GLN 89 -3.258 -9.191 -10.309 710 HE22 GLN 89 HE22 GLN 89 -4.964 -9.306 -10.605 711 H LEU 90 HN LEU 90 -0.927 -8.178 -6.053 712 HA LEU 90 HA LEU 90 0.193 -9.789 -3.854 713 HB2 LEU 90 HB2 LEU 90 0.237 -6.806 -4.455 714 HB3 LEU 90 HB3 LEU 90 1.008 -7.539 -3.060 715 HG LEU 90 HG LEU 90 1.684 -8.276 -5.943 716 HD11 LEU 90 HD11 LEU 90 3.714 -6.992 -5.693 717 HD12 LEU 90 HD12 LEU 90 3.251 -6.483 -4.047 718 HD13 LEU 90 HD13 LEU 90 2.323 -5.929 -5.458 719 HD21 LEU 90 HD21 LEU 90 2.992 -8.986 -3.300 720 HD22 LEU 90 HD22 LEU 90 3.744 -9.207 -4.906 721 HD23 LEU 90 HD23 LEU 90 2.262 -10.092 -4.498 722 H ASN 91 HN ASN 91 -0.408 -9.472 -1.680 723 HA ASN 91 HA ASN 91 -3.240 -8.795 -1.315 724 HB2 ASN 91 HB2 ASN 91 -1.807 -10.615 -0.064 725 HB3 ASN 91 HB3 ASN 91 -1.332 -9.283 0.978 726 HD21 ASN 91 HD21 ASN 91 -2.818 -11.513 1.846 727 HD22 ASN 91 HD22 ASN 91 -4.419 -11.009 2.330 728 H ILE 92 HN ILE 92 -3.903 -7.060 0.163 729 HA ILE 92 HA ILE 92 -2.104 -4.703 0.244 730 HB ILE 92 HB ILE 92 -5.045 -4.661 -0.538 731 HG12 ILE 92 HG12 ILE 92 -2.657 -3.900 -2.264 732 HG13 ILE 92 HG13 ILE 92 -3.422 -5.475 -2.371 733 HG21 ILE 92 HG21 ILE 92 -4.772 -2.237 -0.686 734 HG22 ILE 92 HG22 ILE 92 -4.124 -2.713 0.882 735 HG23 ILE 92 HG23 ILE 92 -3.006 -2.365 -0.415 736 HD11 ILE 92 HD11 ILE 92 -4.270 -3.941 -4.090 737 HD12 ILE 92 HD12 ILE 92 -5.538 -4.544 -3.003 738 HD13 ILE 92 HD13 ILE 92 -4.947 -2.895 -2.840 739 H LEU 93 HN LEU 93 -1.760 -4.822 2.481 740 HA LEU 93 HA LEU 93 -4.064 -5.595 4.170 741 HB2 LEU 93 HB2 LEU 93 -1.081 -5.739 4.459 742 HB3 LEU 93 HB3 LEU 93 -2.076 -5.564 5.894 743 HG LEU 93 HG LEU 93 -3.184 -7.612 5.607 744 HD11 LEU 93 HD11 LEU 93 -1.853 -7.908 2.894 745 HD12 LEU 93 HD12 LEU 93 -3.594 -7.710 3.219 746 HD13 LEU 93 HD13 LEU 93 -2.776 -9.167 3.766 747 HD21 LEU 93 HD21 LEU 93 -1.280 -9.215 5.566 748 HD22 LEU 93 HD22 LEU 93 -0.886 -7.766 6.495 749 HD23 LEU 93 HD23 LEU 93 -0.251 -7.943 4.851 750 H ASP 94 HN ASP 94 -4.270 -4.381 6.187 751 HA ASP 94 HA ASP 94 -3.884 -1.463 5.809 752 HB2 ASP 94 HB2 ASP 94 -5.483 -1.096 7.438 753 HB3 ASP 94 HB3 ASP 94 -6.155 -2.341 6.442 754 H ALA 95 HN ALA 95 -3.632 -0.485 8.089 755 HA ALA 95 HA ALA 95 -0.915 -0.871 8.803 756 HB1 ALA 95 HB1 ALA 95 -1.302 0.649 10.709 757 HB2 ALA 95 HB2 ALA 95 -2.093 1.252 9.242 758 HB3 ALA 95 HB3 ALA 95 -3.066 0.458 10.508 759 H GLU 96 HN GLU 96 -3.634 -2.778 9.937 760 HA GLU 96 HA GLU 96 -2.163 -3.793 12.282 761 HB2 GLU 96 HB2 GLU 96 -4.941 -4.242 11.206 762 HB3 GLU 96 HB3 GLU 96 -4.201 -5.241 12.457 763 HG2 GLU 96 HG2 GLU 96 -3.780 -3.183 13.823 764 HG3 GLU 96 HG3 GLU 96 -4.640 -2.229 12.598 765 H GLY 97 HN GLY 97 -3.095 -4.682 8.971 766 HA2 GLY 97 HA2 GLY 97 -1.832 -6.474 7.861 767 HA3 GLY 97 HA1 GLY 97 -1.848 -7.391 9.368 768 H ASN 98 HN ASN 98 -4.803 -5.689 8.598 769 HA ASN 98 HA ASN 98 -6.272 -8.166 7.888 770 HB2 ASN 98 HB2 ASN 98 -7.237 -5.274 7.874 771 HB3 ASN 98 HB3 ASN 98 -8.226 -6.724 7.801 772 HD21 ASN 98 HD21 ASN 98 -7.059 -4.328 9.872 773 HD22 ASN 98 HD22 ASN 98 -7.488 -5.122 11.369 774 H SER 99 HN SER 99 -6.686 -8.657 5.669 775 HA SER 99 HA SER 99 -5.603 -6.993 3.562 776 HB2 SER 99 HB2 SER 99 -6.959 -8.569 2.108 777 HB3 SER 99 HB3 SER 99 -5.644 -9.241 3.069 778 HG SER 99 HG SER 99 -8.440 -9.407 3.612 779 H ILE 100 HN ILE 100 -6.637 -5.338 2.424 780 HA ILE 100 HA ILE 100 -9.558 -4.955 2.819 781 HB ILE 100 HB ILE 100 -9.096 -2.497 2.959 782 HG12 ILE 100 HG12 ILE 100 -6.276 -3.229 3.862 783 HG13 ILE 100 HG13 ILE 100 -6.626 -2.686 2.225 784 HG21 ILE 100 HG21 ILE 100 -8.061 -4.148 5.307 785 HG22 ILE 100 HG22 ILE 100 -8.790 -2.533 5.378 786 HG23 ILE 100 HG23 ILE 100 -9.772 -3.916 4.893 787 HD11 ILE 100 HD11 ILE 100 -5.890 -0.796 3.544 788 HD12 ILE 100 HD12 ILE 100 -7.605 -0.586 3.108 789 HD13 ILE 100 HD13 ILE 100 -7.157 -1.082 4.752 790 H ASP 101 HN ASP 101 -10.449 -3.445 1.216 791 HA ASP 101 HA ASP 101 -9.448 -3.941 -1.515 792 HB2 ASP 101 HB2 ASP 101 -11.857 -2.705 -0.271 793 HB3 ASP 101 HB3 ASP 101 -11.359 -1.951 -1.721 794 H ALA 102 HN ALA 102 -9.144 -2.092 -2.871 795 HA ALA 102 HA ALA 102 -7.338 -0.096 -1.674 796 HB1 ALA 102 HB1 ALA 102 -7.008 0.686 -3.986 797 HB2 ALA 102 HB2 ALA 102 -6.748 -1.062 -3.853 798 HB3 ALA 102 HB3 ALA 102 -8.256 -0.438 -4.563 799 H ALA 103 HN ALA 103 -10.641 -0.231 -2.943 800 HA ALA 103 HA ALA 103 -11.265 2.517 -3.112 801 HB1 ALA 103 HB1 ALA 103 -13.056 0.242 -2.137 802 HB2 ALA 103 HB2 ALA 103 -13.599 1.846 -2.670 803 HB3 ALA 103 HB3 ALA 103 -12.832 0.748 -3.826 804 H GLN 104 HN GLN 104 -11.057 0.397 -0.289 805 HA GLN 104 HA GLN 104 -12.178 2.266 1.605 806 HB2 GLN 104 HB2 GLN 104 -10.559 -0.287 1.990 807 HB3 GLN 104 HB3 GLN 104 -11.427 0.566 3.258 808 HG2 GLN 104 HG2 GLN 104 -13.360 0.197 1.207 809 HG3 GLN 104 HG3 GLN 104 -12.424 -1.293 1.227 810 HE21 GLN 104 HE21 GLN 104 -13.479 -2.828 2.413 811 HE22 GLN 104 HE22 GLN 104 -14.442 -2.502 3.821 812 H VAL 105 HN VAL 105 -9.394 2.614 -0.051 813 HA VAL 105 HA VAL 105 -7.986 4.014 2.153 814 HB VAL 105 HB VAL 105 -6.744 2.832 -0.359 815 HG11 VAL 105 HG11 VAL 105 -5.486 3.782 2.241 816 HG12 VAL 105 HG12 VAL 105 -4.646 3.139 0.806 817 HG13 VAL 105 HG13 VAL 105 -5.499 4.678 0.706 818 HG21 VAL 105 HG21 VAL 105 -5.765 1.065 1.115 819 HG22 VAL 105 HG22 VAL 105 -6.846 1.594 2.418 820 HG23 VAL 105 HG23 VAL 105 -7.502 0.903 0.907 821 H THR 106 HN THR 106 -9.032 4.026 -1.311 822 HA THR 106 HA THR 106 -7.890 6.657 -1.718 823 HB THR 106 HB THR 106 -8.873 6.260 -4.034 824 HG1 THR 106 HG1 THR 106 -10.490 4.811 -3.526 825 HG21 THR 106 HG21 THR 106 -7.252 4.399 -4.570 826 HG22 THR 106 HG22 THR 106 -6.964 4.187 -2.845 827 HG23 THR 106 HG23 THR 106 -6.532 5.713 -3.652 828 H GLU 107 HN GLU 107 -10.653 5.826 -0.097 829 HA GLU 107 HA GLU 107 -12.024 8.354 -0.870 830 HB2 GLU 107 HB2 GLU 107 -13.250 5.651 -0.204 831 HB3 GLU 107 HB3 GLU 107 -14.151 7.161 -0.363 832 HG2 GLU 107 HG2 GLU 107 -13.242 7.403 -2.701 833 HG3 GLU 107 HG3 GLU 107 -12.573 5.775 -2.558 834 H ILE 108 HN ILE 108 -10.024 7.865 1.245 835 HA ILE 108 HA ILE 108 -11.465 8.118 3.804 836 HB ILE 108 HB ILE 108 -8.554 8.353 3.045 837 HG12 ILE 108 HG12 ILE 108 -9.284 6.075 2.812 838 HG13 ILE 108 HG13 ILE 108 -8.370 6.235 4.300 839 HG21 ILE 108 HG21 ILE 108 -8.072 8.248 5.469 840 HG22 ILE 108 HG22 ILE 108 -8.933 9.730 5.028 841 HG23 ILE 108 HG23 ILE 108 -9.804 8.404 5.822 842 HD11 ILE 108 HD11 ILE 108 -10.215 4.747 4.681 843 HD12 ILE 108 HD12 ILE 108 -10.520 6.221 5.594 844 HD13 ILE 108 HD13 ILE 108 -11.380 5.913 4.063 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -25.684 -3.146 8.496 2 HA2 GLY 1 HA2 GLY 1 -23.756 -4.552 8.118 3 HA3 GLY 1 HA1 GLY 1 -24.823 -4.597 6.696 4 H MET 2 HN MET 2 -22.314 -5.301 6.121 5 HA MET 2 HA MET 2 -20.447 -3.297 5.647 6 HB2 MET 2 HB2 MET 2 -19.897 -5.644 5.502 7 HB3 MET 2 HB3 MET 2 -20.928 -5.865 4.079 8 HG2 MET 2 HG2 MET 2 -18.781 -3.743 3.997 9 HG3 MET 2 HG3 MET 2 -18.291 -5.420 3.946 10 HE1 MET 2 HE1 MET 2 -18.810 -7.125 2.160 11 HE2 MET 2 HE2 MET 2 -18.636 -6.560 0.480 12 HE3 MET 2 HE3 MET 2 -17.408 -6.132 1.692 13 H GLY 3 HN GLY 3 -20.362 -1.629 4.326 14 HA2 GLY 3 HA2 GLY 3 -21.022 -1.262 1.692 15 HA3 GLY 3 HA1 GLY 3 -22.559 -1.010 2.537 16 H THR 4 HN THR 4 -21.511 0.082 4.956 17 HA THR 4 HA THR 4 -21.295 2.833 4.368 18 HB THR 4 HB THR 4 -22.329 1.784 6.343 19 HG1 THR 4 HG1 THR 4 -21.936 3.840 6.686 20 HG21 THR 4 HG21 THR 4 -19.492 1.228 7.287 21 HG22 THR 4 HG22 THR 4 -20.752 0.026 6.925 22 HG23 THR 4 HG23 THR 4 -20.948 1.117 8.293 23 H THR 5 HN THR 5 -18.885 0.628 3.832 24 HA THR 5 HA THR 5 -16.656 0.666 3.562 25 HB THR 5 HB THR 5 -16.914 3.639 3.456 26 HG1 THR 5 HG1 THR 5 -18.270 3.147 1.925 27 HG21 THR 5 HG21 THR 5 -14.981 1.690 2.145 28 HG22 THR 5 HG22 THR 5 -14.633 2.887 3.410 29 HG23 THR 5 HG23 THR 5 -15.068 3.422 1.769 30 H GLU 6 HN GLU 6 -16.986 -0.133 5.778 31 HA GLU 6 HA GLU 6 -16.415 1.512 8.065 32 HB2 GLU 6 HB2 GLU 6 -16.576 -0.575 9.349 33 HB3 GLU 6 HB3 GLU 6 -17.929 -0.319 8.266 34 HG2 GLU 6 HG2 GLU 6 -16.682 -1.912 6.629 35 HG3 GLU 6 HG3 GLU 6 -15.661 -2.338 7.975 36 H LYS 7 HN LYS 7 -14.514 1.999 9.006 37 HA LYS 7 HA LYS 7 -12.059 0.448 8.504 38 HB2 LYS 7 HB2 LYS 7 -10.933 2.534 7.724 39 HB3 LYS 7 HB3 LYS 7 -12.073 1.794 6.610 40 HG2 LYS 7 HG2 LYS 7 -13.773 3.471 7.109 41 HG3 LYS 7 HG3 LYS 7 -12.727 4.209 8.350 42 HD2 LYS 7 HD2 LYS 7 -11.127 4.887 6.704 43 HD3 LYS 7 HD3 LYS 7 -11.844 3.852 5.455 44 HE2 LYS 7 HE2 LYS 7 -13.475 5.322 4.918 45 HE3 LYS 7 HE3 LYS 7 -13.787 5.736 6.615 46 HZ1 LYS 7 HZ1 LYS 7 -11.853 7.140 6.591 47 HZ2 LYS 7 HZ2 LYS 7 -12.939 7.634 5.457 48 HZ3 LYS 7 HZ3 LYS 7 -11.580 6.817 5.000 49 H SER 8 HN SER 8 -10.221 2.099 9.620 50 HA SER 8 HA SER 8 -11.272 2.829 12.300 51 HB2 SER 8 HB2 SER 8 -10.298 0.487 12.108 52 HB3 SER 8 HB3 SER 8 -8.730 1.250 11.838 53 HG SER 8 HG SER 8 -8.589 1.367 13.884 54 H GLY 9 HN GLY 9 -10.615 4.596 10.013 55 HA2 GLY 9 HA2 GLY 9 -9.542 6.588 9.634 56 HA3 GLY 9 HA1 GLY 9 -9.256 6.600 11.396 57 H ILE 10 HN ILE 10 -7.876 4.094 9.304 58 HA ILE 10 HA ILE 10 -5.239 4.576 10.351 59 HB ILE 10 HB ILE 10 -6.170 2.683 8.180 60 HG12 ILE 10 HG12 ILE 10 -5.976 2.187 11.190 61 HG13 ILE 10 HG13 ILE 10 -7.477 2.384 10.301 62 HG21 ILE 10 HG21 ILE 10 -3.791 2.471 10.041 63 HG22 ILE 10 HG22 ILE 10 -4.240 1.355 8.725 64 HG23 ILE 10 HG23 ILE 10 -3.728 2.954 8.333 65 HD11 ILE 10 HD11 ILE 10 -5.552 0.072 9.878 66 HD12 ILE 10 HD12 ILE 10 -7.091 0.046 10.725 67 HD13 ILE 10 HD13 ILE 10 -7.071 0.389 8.993 68 H LYS 11 HN LYS 11 -3.451 5.328 9.300 69 HA LYS 11 HA LYS 11 -3.778 6.571 6.639 70 HB2 LYS 11 HB2 LYS 11 -2.074 7.493 8.983 71 HB3 LYS 11 HB3 LYS 11 -2.171 8.252 7.391 72 HG2 LYS 11 HG2 LYS 11 -3.778 9.487 8.161 73 HG3 LYS 11 HG3 LYS 11 -4.860 8.130 8.068 74 HD2 LYS 11 HD2 LYS 11 -4.290 7.611 10.482 75 HD3 LYS 11 HD3 LYS 11 -3.224 9.035 10.467 76 HE2 LYS 11 HE2 LYS 11 -5.414 10.252 9.550 77 HE3 LYS 11 HE3 LYS 11 -6.244 8.900 10.332 78 HZ1 LYS 11 HZ1 LYS 11 -4.998 9.512 12.366 79 HZ2 LYS 11 HZ2 LYS 11 -5.978 10.771 11.828 80 HZ3 LYS 11 HZ3 LYS 11 -4.380 10.809 11.560 81 H GLU 12 HN GLU 12 -2.800 3.768 7.257 82 HA GLU 12 HA GLU 12 -0.499 3.892 5.500 83 HB2 GLU 12 HB2 GLU 12 0.710 4.299 7.578 84 HB3 GLU 12 HB3 GLU 12 -0.352 3.234 8.500 85 HG2 GLU 12 HG2 GLU 12 0.688 1.241 7.473 86 HG3 GLU 12 HG3 GLU 12 1.800 2.295 6.580 87 H ILE 13 HN ILE 13 -0.140 2.037 4.489 88 HA ILE 13 HA ILE 13 -1.550 -0.420 5.296 89 HB ILE 13 HB ILE 13 -1.997 -0.873 2.930 90 HG12 ILE 13 HG12 ILE 13 -0.170 0.371 1.908 91 HG13 ILE 13 HG13 ILE 13 -1.662 0.751 1.202 92 HG21 ILE 13 HG21 ILE 13 -3.827 0.613 2.484 93 HG22 ILE 13 HG22 ILE 13 -3.812 0.115 4.184 94 HG23 ILE 13 HG23 ILE 13 -3.290 1.744 3.751 95 HD11 ILE 13 HD11 ILE 13 -0.689 2.759 1.236 96 HD12 ILE 13 HD12 ILE 13 -1.735 2.861 2.662 97 HD13 ILE 13 HD13 ILE 13 0.002 2.475 2.839 98 H ILE 14 HN ILE 14 -0.548 -2.172 3.791 99 HA ILE 14 HA ILE 14 2.271 -1.713 3.278 100 HB ILE 14 HB ILE 14 1.467 -3.901 5.277 101 HG12 ILE 14 HG12 ILE 14 2.821 -1.237 5.905 102 HG13 ILE 14 HG13 ILE 14 1.192 -1.723 6.382 103 HG21 ILE 14 HG21 ILE 14 3.397 -4.494 3.959 104 HG22 ILE 14 HG22 ILE 14 4.156 -2.903 4.230 105 HG23 ILE 14 HG23 ILE 14 3.985 -4.050 5.558 106 HD11 ILE 14 HD11 ILE 14 2.510 -1.933 8.294 107 HD12 ILE 14 HD12 ILE 14 2.173 -3.582 7.733 108 HD13 ILE 14 HD13 ILE 14 3.776 -2.833 7.451 109 H ILE 15 HN ILE 15 2.479 -2.437 1.295 110 HA ILE 15 HA ILE 15 0.870 -4.574 0.110 111 HB ILE 15 HB ILE 15 3.447 -3.251 -0.830 112 HG12 ILE 15 HG12 ILE 15 2.007 -1.384 -0.575 113 HG13 ILE 15 HG13 ILE 15 2.033 -1.782 -2.278 114 HG21 ILE 15 HG21 ILE 15 2.768 -5.353 -2.043 115 HG22 ILE 15 HG22 ILE 15 1.291 -4.513 -2.539 116 HG23 ILE 15 HG23 ILE 15 2.851 -3.907 -3.069 117 HD11 ILE 15 HD11 ILE 15 -0.210 -2.148 -0.286 118 HD12 ILE 15 HD12 ILE 15 -0.233 -1.325 -1.858 119 HD13 ILE 15 HD13 ILE 15 -0.209 -3.088 -1.796 120 H GLN 16 HN GLN 16 1.309 -6.767 0.692 121 HA GLN 16 HA GLN 16 3.871 -7.395 1.929 122 HB2 GLN 16 HB2 GLN 16 1.403 -8.597 2.126 123 HB3 GLN 16 HB3 GLN 16 2.180 -9.632 0.923 124 HG2 GLN 16 HG2 GLN 16 4.037 -9.956 2.543 125 HG3 GLN 16 HG3 GLN 16 3.195 -8.861 3.691 126 HE21 GLN 16 HE21 GLN 16 3.280 -10.606 5.269 127 HE22 GLN 16 HE22 GLN 16 2.206 -11.962 5.137 128 H GLY 17 HN GLY 17 5.315 -9.109 0.953 129 HA2 GLY 17 HA2 GLY 17 5.561 -8.821 -2.011 130 HA3 GLY 17 HA1 GLY 17 6.835 -9.342 -0.920 131 H LEU 18 HN LEU 18 3.766 -10.659 -0.112 132 HA LEU 18 HA LEU 18 4.412 -13.310 -1.261 133 HB2 LEU 18 HB2 LEU 18 3.351 -12.350 1.308 134 HB3 LEU 18 HB3 LEU 18 2.172 -13.360 0.497 135 HG LEU 18 HG LEU 18 3.838 -15.184 0.309 136 HD11 LEU 18 HD11 LEU 18 5.636 -13.335 1.918 137 HD12 LEU 18 HD12 LEU 18 5.941 -13.862 0.269 138 HD13 LEU 18 HD13 LEU 18 5.961 -15.042 1.582 139 HD21 LEU 18 HD21 LEU 18 3.472 -13.981 3.096 140 HD22 LEU 18 HD22 LEU 18 3.840 -15.697 2.754 141 HD23 LEU 18 HD23 LEU 18 2.297 -14.975 2.267 142 H THR 19 HN THR 19 2.840 -14.253 -2.508 143 HA THR 19 HA THR 19 0.850 -12.612 -3.850 144 HB THR 19 HB THR 19 0.232 -14.730 -4.937 145 HG1 THR 19 HG1 THR 19 1.195 -15.645 -2.608 146 HG21 THR 19 HG21 THR 19 3.263 -14.752 -4.557 147 HG22 THR 19 HG22 THR 19 2.385 -13.755 -5.765 148 HG23 THR 19 HG23 THR 19 2.363 -15.565 -5.818 149 H ARG 20 HN ARG 20 -1.560 -13.264 -3.736 150 HA ARG 20 HA ARG 20 -2.814 -13.638 -1.298 151 HB2 ARG 20 HB2 ARG 20 -4.717 -14.277 -2.421 152 HB3 ARG 20 HB3 ARG 20 -3.817 -13.238 -3.527 153 HG2 ARG 20 HG2 ARG 20 -2.925 -15.534 -4.487 154 HG3 ARG 20 HG3 ARG 20 -4.337 -16.236 -3.664 155 HD2 ARG 20 HD2 ARG 20 -5.839 -14.811 -4.938 156 HD3 ARG 20 HD3 ARG 20 -4.472 -13.854 -5.517 157 HE ARG 20 HE ARG 20 -5.503 -16.360 -6.616 158 HH11 ARG 20 HH11 ARG 20 -2.541 -14.465 -6.383 159 HH12 ARG 20 HH12 ARG 20 -1.643 -15.401 -7.529 160 HH21 ARG 20 HH21 ARG 20 -4.499 -17.447 -8.232 161 HH22 ARG 20 HH22 ARG 20 -2.934 -17.010 -8.857 162 H ALA 21 HN ALA 21 -1.213 -16.099 -3.191 163 HA ALA 21 HA ALA 21 -2.194 -18.358 -1.599 164 HB1 ALA 21 HB1 ALA 21 -0.545 -18.234 -4.156 165 HB2 ALA 21 HB2 ALA 21 -1.222 -19.701 -3.423 166 HB3 ALA 21 HB3 ALA 21 -2.305 -18.451 -4.073 167 H GLY 22 HN GLY 22 0.023 -16.238 -0.794 168 HA2 GLY 22 HA2 GLY 22 1.528 -16.352 0.805 169 HA3 GLY 22 HA1 GLY 22 1.188 -18.072 0.946 170 H LYS 23 HN LYS 23 2.553 -17.364 -2.342 171 HA LYS 23 HA LYS 23 5.016 -18.376 -1.462 172 HB2 LYS 23 HB2 LYS 23 5.467 -18.151 -3.791 173 HB3 LYS 23 HB3 LYS 23 4.353 -19.402 -3.365 174 HG2 LYS 23 HG2 LYS 23 3.365 -16.833 -4.302 175 HG3 LYS 23 HG3 LYS 23 4.223 -17.927 -5.385 176 HD2 LYS 23 HD2 LYS 23 2.148 -19.047 -3.527 177 HD3 LYS 23 HD3 LYS 23 1.517 -18.111 -4.927 178 HE2 LYS 23 HE2 LYS 23 2.628 -19.591 -6.510 179 HE3 LYS 23 HE3 LYS 23 3.419 -20.470 -5.191 180 HZ1 LYS 23 HZ1 LYS 23 1.316 -21.278 -4.473 181 HZ2 LYS 23 HZ2 LYS 23 1.563 -21.653 -6.041 182 HZ3 LYS 23 HZ3 LYS 23 0.491 -20.479 -5.689 183 HA PRO 24 HA PRO 24 6.577 -14.096 -1.720 184 HB2 PRO 24 HB2 PRO 24 9.183 -14.466 -2.306 185 HB3 PRO 24 HB3 PRO 24 8.518 -14.929 -0.702 186 HG2 PRO 24 HG2 PRO 24 9.137 -16.695 -3.081 187 HG3 PRO 24 HG3 PRO 24 9.428 -17.029 -1.334 188 HD2 PRO 24 HD2 PRO 24 7.267 -17.901 -2.862 189 HD3 PRO 24 HD3 PRO 24 7.182 -17.790 -1.108 190 H PHE 25 HN PHE 25 7.043 -12.575 -3.368 191 HA PHE 25 HA PHE 25 6.558 -13.465 -6.118 192 HB2 PHE 25 HB2 PHE 25 5.407 -11.598 -5.104 193 HB3 PHE 25 HB3 PHE 25 6.926 -10.790 -4.738 194 HD1 PHE 25 HD1 PHE 25 5.069 -12.208 -7.739 195 HD2 PHE 25 HD2 PHE 25 7.508 -9.034 -6.117 196 HE1 PHE 25 HE1 PHE 25 4.921 -10.980 -9.884 197 HE2 PHE 25 HE2 PHE 25 7.327 -7.808 -8.259 198 HZ PHE 25 HZ PHE 25 6.100 -8.809 -10.159 199 H ARG 26 HN ARG 26 7.985 -12.896 -7.869 200 HA ARG 26 HA ARG 26 10.692 -12.026 -7.117 201 HB2 ARG 26 HB2 ARG 26 9.947 -13.925 -9.353 202 HB3 ARG 26 HB3 ARG 26 11.460 -13.100 -9.311 203 HG2 ARG 26 HG2 ARG 26 10.633 -14.981 -7.071 204 HG3 ARG 26 HG3 ARG 26 11.509 -15.495 -8.522 205 HD2 ARG 26 HD2 ARG 26 13.237 -13.708 -8.034 206 HD3 ARG 26 HD3 ARG 26 12.461 -13.445 -6.484 207 HE ARG 26 HE ARG 26 13.167 -15.500 -5.683 208 HH11 ARG 26 HH11 ARG 26 14.201 -15.223 -9.127 209 HH12 ARG 26 HH12 ARG 26 15.738 -15.969 -8.812 210 HH21 ARG 26 HH21 ARG 26 15.060 -16.874 -5.471 211 HH22 ARG 26 HH22 ARG 26 16.120 -17.092 -6.790 212 HA PRO 27 HA PRO 27 12.287 -11.198 -8.481 213 HB2 PRO 27 HB2 PRO 27 13.322 -8.612 -8.662 214 HB3 PRO 27 HB3 PRO 27 13.162 -9.707 -10.073 215 HG2 PRO 27 HG2 PRO 27 11.282 -7.507 -9.186 216 HG3 PRO 27 HG3 PRO 27 11.889 -7.889 -10.839 217 HD2 PRO 27 HD2 PRO 27 9.439 -8.725 -9.969 218 HD3 PRO 27 HD3 PRO 27 10.464 -9.689 -11.088 219 H SER 28 HN SER 28 13.349 -10.660 -6.402 220 HA SER 28 HA SER 28 11.676 -9.869 -4.214 221 HB2 SER 28 HB2 SER 28 14.015 -9.769 -3.104 222 HB3 SER 28 HB3 SER 28 13.482 -11.323 -3.785 223 HG SER 28 HG SER 28 15.629 -10.785 -4.461 224 H ASP 29 HN ASP 29 13.951 -8.216 -6.280 225 HA ASP 29 HA ASP 29 14.288 -5.783 -4.933 226 HB2 ASP 29 HB2 ASP 29 14.543 -6.417 -7.877 227 HB3 ASP 29 HB3 ASP 29 15.171 -4.965 -7.088 228 H TRP 30 HN TRP 30 11.368 -6.801 -6.304 229 HA TRP 30 HA TRP 30 10.350 -4.676 -7.710 230 HB2 TRP 30 HB2 TRP 30 8.217 -5.535 -7.239 231 HB3 TRP 30 HB3 TRP 30 9.283 -6.917 -7.255 232 HD1 TRP 30 HD1 TRP 30 9.618 -8.189 -4.819 233 HE1 TRP 30 HE1 TRP 30 8.453 -8.020 -2.595 234 HE3 TRP 30 HE3 TRP 30 6.853 -3.981 -5.694 235 HZ2 TRP 30 HZ2 TRP 30 6.113 -6.487 -1.458 236 HZ3 TRP 30 HZ3 TRP 30 5.250 -3.165 -3.983 237 HH2 TRP 30 HH2 TRP 30 4.940 -4.429 -1.869 238 H VAL 31 HN VAL 31 10.689 -4.969 -4.275 239 HA VAL 31 HA VAL 31 9.203 -2.890 -3.146 240 HB VAL 31 HB VAL 31 11.901 -4.111 -2.456 241 HG11 VAL 31 HG11 VAL 31 11.584 -3.626 -0.133 242 HG12 VAL 31 HG12 VAL 31 11.655 -2.137 -1.072 243 HG13 VAL 31 HG13 VAL 31 10.088 -2.746 -0.468 244 HG21 VAL 31 HG21 VAL 31 9.096 -4.908 -1.693 245 HG22 VAL 31 HG22 VAL 31 10.288 -5.869 -2.608 246 HG23 VAL 31 HG23 VAL 31 10.551 -5.551 -0.893 247 H ASP 32 HN ASP 32 12.599 -2.877 -4.353 248 HA ASP 32 HA ASP 32 13.019 -0.107 -3.587 249 HB2 ASP 32 HB2 ASP 32 14.677 -1.923 -5.394 250 HB3 ASP 32 HB3 ASP 32 15.208 -0.409 -4.642 251 H ARG 33 HN ARG 33 12.417 -2.013 -6.487 252 HA ARG 33 HA ARG 33 12.575 0.092 -8.458 253 HB2 ARG 33 HB2 ARG 33 11.249 -2.635 -8.299 254 HB3 ARG 33 HB3 ARG 33 10.857 -1.549 -9.613 255 HG2 ARG 33 HG2 ARG 33 13.717 -1.592 -9.460 256 HG3 ARG 33 HG3 ARG 33 13.166 -3.275 -9.320 257 HD2 ARG 33 HD2 ARG 33 11.717 -2.956 -11.317 258 HD3 ARG 33 HD3 ARG 33 12.250 -1.267 -11.423 259 HE ARG 33 HE ARG 33 14.510 -3.021 -11.559 260 HH11 ARG 33 HH11 ARG 33 11.709 -1.856 -13.451 261 HH12 ARG 33 HH12 ARG 33 12.570 -1.982 -14.966 262 HH21 ARG 33 HH21 ARG 33 15.528 -3.253 -13.582 263 HH22 ARG 33 HH22 ARG 33 14.762 -2.715 -15.053 264 H MET 34 HN MET 34 10.055 -0.757 -6.107 265 HA MET 34 HA MET 34 8.108 1.045 -7.334 266 HB2 MET 34 HB2 MET 34 8.262 -0.575 -4.781 267 HB3 MET 34 HB3 MET 34 7.173 0.821 -4.882 268 HG2 MET 34 HG2 MET 34 6.572 -0.388 -7.243 269 HG3 MET 34 HG3 MET 34 7.012 -1.803 -6.289 270 HE1 MET 34 HE1 MET 34 4.160 0.687 -7.217 271 HE2 MET 34 HE2 MET 34 4.293 -0.997 -7.716 272 HE3 MET 34 HE3 MET 34 2.973 -0.456 -6.645 273 H CYS 35 HN CYS 35 10.193 1.244 -4.315 274 HA CYS 35 HA CYS 35 9.269 3.856 -3.800 275 HB2 CYS 35 HB2 CYS 35 11.088 4.113 -2.236 276 HB3 CYS 35 HB3 CYS 35 10.389 2.489 -2.139 277 HG CYS 35 HG CYS 35 13.195 3.438 -3.606 278 H SER 36 HN SER 36 11.966 2.828 -5.821 279 HA SER 36 HA SER 36 13.122 5.246 -6.629 280 HB2 SER 36 HB2 SER 36 12.625 2.654 -8.046 281 HB3 SER 36 HB3 SER 36 13.757 3.862 -8.606 282 HG SER 36 HG SER 36 13.869 2.143 -6.404 283 H THR 37 HN THR 37 9.937 4.009 -7.533 284 HA THR 37 HA THR 37 9.774 5.673 -9.940 285 HB THR 37 HB THR 37 7.920 3.703 -8.543 286 HG1 THR 37 HG1 THR 37 9.489 2.661 -9.597 287 HG21 THR 37 HG21 THR 37 6.574 3.765 -10.683 288 HG22 THR 37 HG22 THR 37 7.326 5.335 -11.028 289 HG23 THR 37 HG23 THR 37 6.353 5.132 -9.581 290 H TYR 38 HN TYR 38 9.331 6.126 -6.568 291 HA TYR 38 HA TYR 38 7.638 8.542 -7.060 292 HB2 TYR 38 HB2 TYR 38 7.634 6.537 -4.792 293 HB3 TYR 38 HB3 TYR 38 6.866 8.118 -4.671 294 HD1 TYR 38 HD1 TYR 38 6.696 4.807 -6.435 295 HD2 TYR 38 HD2 TYR 38 4.810 8.645 -5.796 296 HE1 TYR 38 HE1 TYR 38 4.770 4.116 -7.821 297 HE2 TYR 38 HE2 TYR 38 2.885 7.917 -7.146 298 HH TYR 38 HH TYR 38 2.581 4.621 -8.478 299 H ALA 39 HN ALA 39 10.427 8.560 -7.445 300 HA ALA 39 HA ALA 39 11.535 9.860 -5.016 301 HB1 ALA 39 HB1 ALA 39 12.111 7.448 -5.227 302 HB2 ALA 39 HB2 ALA 39 12.847 7.775 -6.812 303 HB3 ALA 39 HB3 ALA 39 13.517 8.501 -5.337 304 H SER 40 HN SER 40 13.862 10.736 -5.687 305 HA SER 40 HA SER 40 14.215 11.548 -8.436 306 HB2 SER 40 HB2 SER 40 13.980 13.999 -8.086 307 HB3 SER 40 HB3 SER 40 12.443 13.136 -8.003 308 HG SER 40 HG SER 40 12.706 13.235 -5.639 309 H PHE 41 HN PHE 41 16.144 12.779 -8.785 310 HA PHE 41 HA PHE 41 18.181 12.645 -6.660 311 HB2 PHE 41 HB2 PHE 41 18.087 13.373 -9.571 312 HB3 PHE 41 HB3 PHE 41 19.382 14.001 -8.583 313 HD1 PHE 41 HD1 PHE 41 17.850 10.516 -8.608 314 HD2 PHE 41 HD2 PHE 41 21.338 12.988 -9.232 315 HE1 PHE 41 HE1 PHE 41 19.174 8.527 -9.106 316 HE2 PHE 41 HE2 PHE 41 22.677 10.995 -9.660 317 HZ PHE 41 HZ PHE 41 21.618 8.742 -9.659 318 H GLY 42 HN GLY 42 18.542 14.360 -5.400 319 HA2 GLY 42 HA2 GLY 42 18.606 17.084 -6.267 320 HA3 GLY 42 HA1 GLY 42 17.084 16.780 -5.369 321 H ALA 43 HN ALA 43 17.896 15.299 -3.197 322 HA ALA 43 HA ALA 43 19.686 17.089 -1.809 323 HB1 ALA 43 HB1 ALA 43 18.862 14.298 -1.010 324 HB2 ALA 43 HB2 ALA 43 19.804 15.484 -0.053 325 HB3 ALA 43 HB3 ALA 43 18.109 15.844 -0.484 326 H ASP 44 HN ASP 44 21.310 17.185 -3.195 327 HA ASP 44 HA ASP 44 23.538 17.237 -3.152 328 HB2 ASP 44 HB2 ASP 44 23.515 15.943 -0.980 329 HB3 ASP 44 HB3 ASP 44 23.816 14.491 -1.930 330 H ARG 45 HN ARG 45 21.693 16.326 -5.136 331 HA ARG 45 HA ARG 45 21.335 14.987 -7.011 332 HB2 ARG 45 HB2 ARG 45 24.306 15.542 -7.281 333 HB3 ARG 45 HB3 ARG 45 23.310 14.817 -8.532 334 HG2 ARG 45 HG2 ARG 45 23.591 17.072 -9.082 335 HG3 ARG 45 HG3 ARG 45 21.895 16.842 -8.648 336 HD2 ARG 45 HD2 ARG 45 22.089 18.148 -6.684 337 HD3 ARG 45 HD3 ARG 45 23.857 17.914 -6.593 338 HE ARG 45 HE ARG 45 23.614 19.229 -8.950 339 HH11 ARG 45 HH11 ARG 45 22.210 20.194 -5.739 340 HH12 ARG 45 HH12 ARG 45 22.566 21.849 -6.071 341 HH21 ARG 45 HH21 ARG 45 23.926 21.358 -9.247 342 HH22 ARG 45 HH22 ARG 45 23.506 22.537 -7.993 343 H LYS 46 HN LYS 46 21.653 13.585 -4.560 344 HA LYS 46 HA LYS 46 22.324 10.881 -5.626 345 HB2 LYS 46 HB2 LYS 46 22.475 12.145 -2.891 346 HB3 LYS 46 HB3 LYS 46 21.696 10.574 -2.965 347 HG2 LYS 46 HG2 LYS 46 24.018 10.272 -2.416 348 HG3 LYS 46 HG3 LYS 46 23.701 9.592 -4.019 349 HD2 LYS 46 HD2 LYS 46 24.647 11.625 -5.061 350 HD3 LYS 46 HD3 LYS 46 24.976 12.321 -3.462 351 HE2 LYS 46 HE2 LYS 46 26.611 10.657 -2.955 352 HE3 LYS 46 HE3 LYS 46 26.028 9.585 -4.237 353 HZ1 LYS 46 HZ1 LYS 46 26.799 11.208 -5.850 354 HZ2 LYS 46 HZ2 LYS 46 28.037 10.604 -4.918 355 HZ3 LYS 46 HZ3 LYS 46 27.453 12.127 -4.656 356 H LEU 47 HN LEU 47 20.642 9.312 -5.108 357 HA LEU 47 HA LEU 47 18.046 10.306 -5.799 358 HB2 LEU 47 HB2 LEU 47 19.366 8.007 -6.194 359 HB3 LEU 47 HB3 LEU 47 18.553 7.519 -4.727 360 HG LEU 47 HG LEU 47 17.028 8.809 -7.021 361 HD11 LEU 47 HD11 LEU 47 16.684 6.747 -8.080 362 HD12 LEU 47 HD12 LEU 47 17.556 5.837 -6.809 363 HD13 LEU 47 HD13 LEU 47 18.440 6.919 -7.898 364 HD21 LEU 47 HD21 LEU 47 15.241 7.230 -6.216 365 HD22 LEU 47 HD22 LEU 47 15.709 8.460 -5.026 366 HD23 LEU 47 HD23 LEU 47 16.305 6.794 -4.864 367 H ARG 48 HN ARG 48 16.269 10.681 -4.431 368 HA ARG 48 HA ARG 48 16.362 9.508 -1.722 369 HB2 ARG 48 HB2 ARG 48 15.810 12.389 -2.334 370 HB3 ARG 48 HB3 ARG 48 14.629 11.615 -1.338 371 HG2 ARG 48 HG2 ARG 48 17.622 11.537 -0.767 372 HG3 ARG 48 HG3 ARG 48 16.521 12.715 -0.064 373 HD2 ARG 48 HD2 ARG 48 15.492 9.976 0.318 374 HD3 ARG 48 HD3 ARG 48 17.134 10.132 0.950 375 HE ARG 48 HE ARG 48 15.651 12.354 1.851 376 HH11 ARG 48 HH11 ARG 48 15.290 8.828 2.262 377 HH12 ARG 48 HH12 ARG 48 14.572 8.970 3.824 378 HH21 ARG 48 HH21 ARG 48 14.985 12.487 3.982 379 HH22 ARG 48 HH22 ARG 48 14.010 11.236 4.626 380 H TYR 49 HN TYR 49 14.874 8.045 -1.632 381 HA TYR 49 HA TYR 49 12.337 8.058 -3.016 382 HB2 TYR 49 HB2 TYR 49 13.053 6.822 -0.330 383 HB3 TYR 49 HB3 TYR 49 11.828 6.282 -1.464 384 HD1 TYR 49 HD2 TYR 49 13.127 6.050 -4.013 385 HD2 TYR 49 HD1 TYR 49 14.813 5.262 -0.135 386 HE1 TYR 49 HE2 TYR 49 14.862 4.588 -5.063 387 HE2 TYR 49 HE1 TYR 49 16.486 3.766 -1.166 388 HH TYR 49 HH TYR 49 16.773 2.354 -3.144 389 H SER 50 HN SER 50 10.436 8.767 -2.140 390 HA SER 50 HA SER 50 10.452 11.031 -0.242 391 HB2 SER 50 HB2 SER 50 8.356 9.547 -1.860 392 HB3 SER 50 HB3 SER 50 7.856 10.550 -0.499 393 HG SER 50 HG SER 50 7.839 11.758 -2.381 394 HA PRO 51 HA PRO 51 10.155 8.613 3.314 395 HB2 PRO 51 HB2 PRO 51 8.615 10.039 5.061 396 HB3 PRO 51 HB3 PRO 51 10.207 10.610 4.474 397 HG2 PRO 51 HG2 PRO 51 7.459 11.384 3.442 398 HG3 PRO 51 HG3 PRO 51 8.839 12.458 3.847 399 HD2 PRO 51 HD2 PRO 51 8.315 11.656 1.302 400 HD3 PRO 51 HD3 PRO 51 9.974 11.919 1.890 401 H TYR 52 HN TYR 52 7.303 9.061 1.483 402 HA TYR 52 HA TYR 52 5.466 7.684 3.211 403 HB2 TYR 52 HB2 TYR 52 5.087 8.524 0.284 404 HB3 TYR 52 HB3 TYR 52 3.858 8.102 1.434 405 HD1 TYR 52 HD2 TYR 52 4.773 9.617 3.898 406 HD2 TYR 52 HD1 TYR 52 4.533 10.737 -0.274 407 HE1 TYR 52 HE2 TYR 52 4.318 11.949 4.551 408 HE2 TYR 52 HE1 TYR 52 4.128 13.083 0.390 409 HH TYR 52 HH TYR 52 4.164 14.246 3.760 410 H LEU 53 HN LEU 53 7.917 6.182 1.897 411 HA LEU 53 HA LEU 53 6.476 3.739 1.077 412 HB2 LEU 53 HB2 LEU 53 7.728 5.813 -0.653 413 HB3 LEU 53 HB3 LEU 53 8.394 4.223 -0.964 414 HG LEU 53 HG LEU 53 5.387 4.726 -0.934 415 HD11 LEU 53 HD11 LEU 53 6.455 6.175 -2.617 416 HD12 LEU 53 HD12 LEU 53 5.508 4.888 -3.372 417 HD13 LEU 53 HD13 LEU 53 7.275 4.756 -3.314 418 HD21 LEU 53 HD21 LEU 53 7.135 2.504 -2.076 419 HD22 LEU 53 HD22 LEU 53 5.388 2.643 -2.315 420 HD23 LEU 53 HD23 LEU 53 6.028 2.380 -0.688 421 H LYS 54 HN LYS 54 7.541 2.386 2.634 422 HA LYS 54 HA LYS 54 10.479 2.188 2.379 423 HB2 LYS 54 HB2 LYS 54 9.120 2.716 5.048 424 HB3 LYS 54 HB3 LYS 54 10.764 2.094 4.858 425 HG2 LYS 54 HG2 LYS 54 11.096 4.196 3.276 426 HG3 LYS 54 HG3 LYS 54 9.704 4.837 4.150 427 HD2 LYS 54 HD2 LYS 54 12.467 4.093 5.162 428 HD3 LYS 54 HD3 LYS 54 11.701 5.683 5.117 429 HE2 LYS 54 HE2 LYS 54 9.959 4.659 6.782 430 HE3 LYS 54 HE3 LYS 54 11.132 3.350 6.972 431 HZ1 LYS 54 HZ1 LYS 54 12.780 5.139 7.487 432 HZ2 LYS 54 HZ2 LYS 54 11.603 4.904 8.607 433 HZ3 LYS 54 HZ3 LYS 54 11.504 6.199 7.601 434 HA PRO 55 HA PRO 55 9.467 -2.119 2.841 435 HB2 PRO 55 HB2 PRO 55 11.869 -3.253 3.419 436 HB3 PRO 55 HB3 PRO 55 11.523 -2.508 1.839 437 HG2 PRO 55 HG2 PRO 55 12.920 -1.212 4.196 438 HG3 PRO 55 HG3 PRO 55 13.497 -1.316 2.499 439 HD2 PRO 55 HD2 PRO 55 12.184 0.887 3.408 440 HD3 PRO 55 HD3 PRO 55 11.882 0.260 1.763 441 H ARG 56 HN ARG 56 9.666 -3.944 4.470 442 HA ARG 56 HA ARG 56 10.206 -3.234 7.231 443 HB2 ARG 56 HB2 ARG 56 7.461 -3.123 6.208 444 HB3 ARG 56 HB3 ARG 56 7.596 -4.408 7.402 445 HG2 ARG 56 HG2 ARG 56 8.739 -2.769 8.952 446 HG3 ARG 56 HG3 ARG 56 8.408 -1.499 7.760 447 HD2 ARG 56 HD2 ARG 56 5.985 -1.989 7.946 448 HD3 ARG 56 HD3 ARG 56 6.334 -3.219 9.183 449 HE ARG 56 HE ARG 56 7.450 -0.566 9.699 450 HH11 ARG 56 HH11 ARG 56 4.547 -2.576 10.246 451 HH12 ARG 56 HH12 ARG 56 3.850 -1.458 11.345 452 HH21 ARG 56 HH21 ARG 56 6.576 0.827 11.192 453 HH22 ARG 56 HH22 ARG 56 5.077 0.461 11.973 454 H VAL 57 HN VAL 57 9.170 -5.569 8.496 455 HA VAL 57 HA VAL 57 9.701 -7.735 6.633 456 HB VAL 57 HB VAL 57 11.079 -7.770 9.329 457 HG11 VAL 57 HG11 VAL 57 11.183 -9.629 6.905 458 HG12 VAL 57 HG12 VAL 57 12.209 -9.746 8.341 459 HG13 VAL 57 HG13 VAL 57 10.455 -9.998 8.467 460 HG21 VAL 57 HG21 VAL 57 12.273 -6.143 7.919 461 HG22 VAL 57 HG22 VAL 57 13.209 -7.622 8.084 462 HG23 VAL 57 HG23 VAL 57 12.313 -7.317 6.581 463 H ILE 58 HN ILE 58 7.708 -8.575 6.583 464 HA ILE 58 HA ILE 58 6.283 -9.135 9.150 465 HB ILE 58 HB ILE 58 5.203 -8.322 6.422 466 HG12 ILE 58 HG12 ILE 58 4.840 -7.004 9.157 467 HG13 ILE 58 HG13 ILE 58 6.035 -6.480 7.968 468 HG21 ILE 58 HG21 ILE 58 3.790 -10.131 7.360 469 HG22 ILE 58 HG22 ILE 58 3.670 -9.240 8.887 470 HG23 ILE 58 HG23 ILE 58 2.936 -8.608 7.407 471 HD11 ILE 58 HD11 ILE 58 4.190 -6.135 6.309 472 HD12 ILE 58 HD12 ILE 58 3.023 -6.403 7.619 473 HD13 ILE 58 HD13 ILE 58 4.166 -5.061 7.733 474 H GLU 59 HN GLU 59 5.856 -11.302 9.374 475 HA GLU 59 HA GLU 59 6.269 -13.519 9.053 476 HB2 GLU 59 HB2 GLU 59 4.749 -12.824 6.495 477 HB3 GLU 59 HB3 GLU 59 4.984 -14.480 7.091 478 HG2 GLU 59 HG2 GLU 59 3.645 -13.930 9.083 479 HG3 GLU 59 HG3 GLU 59 3.350 -12.307 8.449 480 H GLY 60 HN GLY 60 8.542 -11.958 8.244 481 HA2 GLY 60 HA2 GLY 60 10.643 -12.516 7.410 482 HA3 GLY 60 HA1 GLY 60 9.972 -13.984 6.705 483 H VAL 61 HN VAL 61 8.052 -11.480 5.490 484 HA VAL 61 HA VAL 61 9.383 -11.546 2.910 485 HB VAL 61 HB VAL 61 6.899 -11.753 3.551 486 HG11 VAL 61 HG11 VAL 61 5.643 -10.014 4.040 487 HG12 VAL 61 HG12 VAL 61 7.140 -9.227 4.519 488 HG13 VAL 61 HG13 VAL 61 6.487 -8.925 2.900 489 HG21 VAL 61 HG21 VAL 61 7.592 -10.032 1.176 490 HG22 VAL 61 HG22 VAL 61 7.780 -11.799 1.248 491 HG23 VAL 61 HG23 VAL 61 6.172 -11.087 1.413 492 H ARG 62 HN ARG 62 9.786 -9.454 1.696 493 HA ARG 62 HA ARG 62 10.992 -7.421 3.434 494 HB2 ARG 62 HB2 ARG 62 10.715 -7.491 0.387 495 HB3 ARG 62 HB3 ARG 62 11.670 -6.344 1.264 496 HG2 ARG 62 HG2 ARG 62 12.820 -8.607 2.207 497 HG3 ARG 62 HG3 ARG 62 12.130 -9.271 0.736 498 HD2 ARG 62 HD2 ARG 62 14.268 -7.184 1.080 499 HD3 ARG 62 HD3 ARG 62 14.375 -8.764 0.281 500 HE ARG 62 HE ARG 62 12.557 -7.460 -1.258 501 HH11 ARG 62 HH11 ARG 62 15.935 -6.879 -0.424 502 HH12 ARG 62 HH12 ARG 62 16.147 -5.564 -1.533 503 HH21 ARG 62 HH21 ARG 62 12.990 -5.990 -2.946 504 HH22 ARG 62 HH22 ARG 62 14.308 -4.836 -2.793 505 H CYS 63 HN CYS 63 8.030 -7.841 1.887 506 HA CYS 63 HA CYS 63 6.257 -6.548 1.386 507 HB2 CYS 63 HB2 CYS 63 5.409 -5.218 3.418 508 HB3 CYS 63 HB3 CYS 63 5.575 -6.971 3.488 509 HG CYS 63 HG CYS 63 6.063 -6.025 5.797 510 H LEU 64 HN LEU 64 5.378 -3.963 1.876 511 HA LEU 64 HA LEU 64 7.487 -2.037 1.564 512 HB2 LEU 64 HB2 LEU 64 6.606 -3.030 -0.840 513 HB3 LEU 64 HB3 LEU 64 5.387 -1.802 -0.585 514 HG LEU 64 HG LEU 64 8.341 -1.563 -1.066 515 HD11 LEU 64 HD11 LEU 64 7.619 0.128 -2.655 516 HD12 LEU 64 HD12 LEU 64 5.933 -0.043 -2.113 517 HD13 LEU 64 HD13 LEU 64 6.755 -1.403 -2.912 518 HD21 LEU 64 HD21 LEU 64 8.231 0.897 -0.532 519 HD22 LEU 64 HD22 LEU 64 8.322 -0.187 0.844 520 HD23 LEU 64 HD23 LEU 64 6.760 0.551 0.413 521 H ALA 65 HN ALA 65 6.734 -0.736 3.242 522 HA ALA 65 HA ALA 65 3.870 -0.504 3.887 523 HB1 ALA 65 HB1 ALA 65 4.689 0.994 5.633 524 HB2 ALA 65 HB2 ALA 65 5.521 -0.587 5.735 525 HB3 ALA 65 HB3 ALA 65 6.358 0.837 5.040 526 H VAL 66 HN VAL 66 2.590 1.231 3.148 527 HA VAL 66 HA VAL 66 4.018 3.470 1.804 528 HB VAL 66 HB VAL 66 1.486 1.988 1.233 529 HG11 VAL 66 HG11 VAL 66 1.035 4.447 1.011 530 HG12 VAL 66 HG12 VAL 66 2.405 4.585 -0.089 531 HG13 VAL 66 HG13 VAL 66 0.975 3.577 -0.497 532 HG21 VAL 66 HG21 VAL 66 3.573 2.612 -0.808 533 HG22 VAL 66 HG22 VAL 66 3.873 1.289 0.333 534 HG23 VAL 66 HG23 VAL 66 2.443 1.240 -0.659 535 H ASP 67 HN ASP 67 3.034 5.590 2.371 536 HA ASP 67 HA ASP 67 1.406 5.591 4.882 537 HB2 ASP 67 HB2 ASP 67 3.652 6.602 5.003 538 HB3 ASP 67 HB3 ASP 67 3.317 7.601 3.656 539 H LEU 68 HN LEU 68 -0.610 6.676 4.769 540 HA LEU 68 HA LEU 68 -1.721 6.848 2.140 541 HB2 LEU 68 HB2 LEU 68 -2.653 6.597 4.818 542 HB3 LEU 68 HB3 LEU 68 -3.511 7.952 4.148 543 HG LEU 68 HG LEU 68 -3.254 5.188 2.948 544 HD11 LEU 68 HD11 LEU 68 -5.506 6.504 4.553 545 HD12 LEU 68 HD12 LEU 68 -4.567 5.054 4.982 546 HD13 LEU 68 HD13 LEU 68 -5.711 5.006 3.646 547 HD21 LEU 68 HD21 LEU 68 -5.173 5.925 1.460 548 HD22 LEU 68 HD22 LEU 68 -3.746 6.929 1.200 549 HD23 LEU 68 HD23 LEU 68 -5.093 7.542 2.178 550 H LYS 69 HN LYS 69 -0.149 9.198 4.112 551 HA LYS 69 HA LYS 69 -1.673 11.544 3.704 552 HB2 LYS 69 HB2 LYS 69 0.142 11.006 5.361 553 HB3 LYS 69 HB3 LYS 69 1.348 11.291 4.127 554 HG2 LYS 69 HG2 LYS 69 -0.655 13.249 5.305 555 HG3 LYS 69 HG3 LYS 69 0.996 13.073 5.828 556 HD2 LYS 69 HD2 LYS 69 1.801 14.435 4.288 557 HD3 LYS 69 HD3 LYS 69 0.986 13.614 2.972 558 HE2 LYS 69 HE2 LYS 69 -0.176 15.770 4.774 559 HE3 LYS 69 HE3 LYS 69 0.294 15.898 3.059 560 HZ1 LYS 69 HZ1 LYS 69 -1.921 14.249 4.131 561 HZ2 LYS 69 HZ2 LYS 69 -1.389 14.205 2.585 562 HZ3 LYS 69 HZ3 LYS 69 -2.089 15.560 3.201 563 H LEU 70 HN LEU 70 0.590 9.824 1.677 564 HA LEU 70 HA LEU 70 1.254 11.551 -0.343 565 HB2 LEU 70 HB2 LEU 70 2.232 9.425 -0.199 566 HB3 LEU 70 HB3 LEU 70 0.691 8.609 -0.334 567 HG LEU 70 HG LEU 70 0.466 9.432 -2.700 568 HD11 LEU 70 HD11 LEU 70 2.419 10.426 -3.849 569 HD12 LEU 70 HD12 LEU 70 3.281 10.556 -2.298 570 HD13 LEU 70 HD13 LEU 70 1.805 11.511 -2.601 571 HD21 LEU 70 HD21 LEU 70 1.483 7.261 -2.202 572 HD22 LEU 70 HD22 LEU 70 3.094 8.006 -2.158 573 HD23 LEU 70 HD23 LEU 70 2.150 7.980 -3.672 574 H LYS 71 HN LYS 71 -1.784 9.625 0.090 575 HA LYS 71 HA LYS 71 -2.772 10.163 -2.546 576 HB2 LYS 71 HB2 LYS 71 -3.481 8.251 -1.157 577 HB3 LYS 71 HB3 LYS 71 -4.257 9.328 -0.003 578 HG2 LYS 71 HG2 LYS 71 -6.065 9.686 -1.293 579 HG3 LYS 71 HG3 LYS 71 -5.169 9.709 -2.799 580 HD2 LYS 71 HD2 LYS 71 -5.022 7.322 -2.886 581 HD3 LYS 71 HD3 LYS 71 -5.848 7.154 -1.318 582 HE2 LYS 71 HE2 LYS 71 -6.986 8.311 -3.913 583 HE3 LYS 71 HE3 LYS 71 -7.371 6.739 -3.226 584 HZ1 LYS 71 HZ1 LYS 71 -8.210 8.117 -1.209 585 HZ2 LYS 71 HZ2 LYS 71 -9.105 8.121 -2.568 586 HZ3 LYS 71 HZ3 LYS 71 -8.120 9.394 -2.183 587 H ASP 72 HN ASP 72 -3.109 11.931 0.481 588 HA ASP 72 HA ASP 72 -5.163 13.771 -0.364 589 HB2 ASP 72 HB2 ASP 72 -4.393 13.222 1.969 590 HB3 ASP 72 HB3 ASP 72 -2.890 13.973 1.597 591 H THR 73 HN THR 73 -1.704 13.626 -0.764 592 HA THR 73 HA THR 73 -1.599 16.415 -1.812 593 HB THR 73 HB THR 73 -0.036 15.771 -0.030 594 HG1 THR 73 HG1 THR 73 0.521 17.458 -1.373 595 HG21 THR 73 HG21 THR 73 2.048 14.507 -0.689 596 HG22 THR 73 HG22 THR 73 1.185 13.943 -2.130 597 HG23 THR 73 HG23 THR 73 0.582 13.555 -0.499 598 H ASN 74 HN ASN 74 -1.414 13.111 -2.993 599 HA ASN 74 HA ASN 74 -1.695 13.952 -5.751 600 HB2 ASN 74 HB2 ASN 74 0.695 14.030 -5.660 601 HB3 ASN 74 HB3 ASN 74 0.773 12.469 -4.825 602 HD21 ASN 74 HD21 ASN 74 2.277 12.066 -6.683 603 HD22 ASN 74 HD22 ASN 74 1.617 11.478 -8.204 604 HA PRO 75 HA PRO 75 -3.869 10.154 -4.345 605 HB2 PRO 75 HB2 PRO 75 -6.185 10.456 -5.870 606 HB3 PRO 75 HB3 PRO 75 -5.934 11.210 -4.266 607 HG2 PRO 75 HG2 PRO 75 -5.488 12.441 -6.980 608 HG3 PRO 75 HG3 PRO 75 -6.338 13.153 -5.562 609 HD2 PRO 75 HD2 PRO 75 -3.775 13.780 -6.155 610 HD3 PRO 75 HD3 PRO 75 -4.274 13.568 -4.460 611 H GLU 76 HN GLU 76 -3.403 11.258 -7.688 612 HA GLU 76 HA GLU 76 -3.977 8.859 -9.075 613 HB2 GLU 76 HB2 GLU 76 -3.592 11.171 -9.988 614 HB3 GLU 76 HB3 GLU 76 -1.878 11.034 -9.637 615 HG2 GLU 76 HG2 GLU 76 -1.636 9.181 -11.195 616 HG3 GLU 76 HG3 GLU 76 -3.381 9.152 -11.489 617 H GLY 77 HN GLY 77 -0.950 10.042 -7.678 618 HA2 GLY 77 HA2 GLY 77 0.768 7.880 -8.356 619 HA3 GLY 77 HA1 GLY 77 0.934 8.912 -6.912 620 H PHE 78 HN PHE 78 -1.166 8.339 -5.344 621 HA PHE 78 HA PHE 78 -0.433 5.808 -4.236 622 HB2 PHE 78 HB2 PHE 78 -1.343 7.771 -2.975 623 HB3 PHE 78 HB3 PHE 78 -2.905 7.521 -3.733 624 HD1 PHE 78 HD1 PHE 78 -4.158 5.281 -3.260 625 HD2 PHE 78 HD2 PHE 78 -0.710 6.582 -0.996 626 HE1 PHE 78 HE1 PHE 78 -4.778 3.754 -1.433 627 HE2 PHE 78 HE2 PHE 78 -1.322 5.024 0.812 628 HZ PHE 78 HZ PHE 78 -3.348 3.583 0.599 629 H ASN 79 HN ASN 79 -3.142 6.764 -6.290 630 HA ASN 79 HA ASN 79 -4.668 4.378 -6.210 631 HB2 ASN 79 HB2 ASN 79 -4.290 6.533 -8.319 632 HB3 ASN 79 HB3 ASN 79 -5.406 5.218 -8.532 633 HD21 ASN 79 HD21 ASN 79 -6.312 7.770 -8.623 634 HD22 ASN 79 HD22 ASN 79 -7.196 8.241 -7.169 635 H GLN 80 HN GLN 80 -2.071 5.368 -8.572 636 HA GLN 80 HA GLN 80 -1.991 2.953 -10.022 637 HB2 GLN 80 HB2 GLN 80 0.116 5.020 -9.281 638 HB3 GLN 80 HB3 GLN 80 0.545 3.553 -10.139 639 HG2 GLN 80 HG2 GLN 80 -1.141 4.106 -11.894 640 HG3 GLN 80 HG3 GLN 80 -1.352 5.686 -11.111 641 HE21 GLN 80 HE21 GLN 80 -0.155 7.153 -12.247 642 HE22 GLN 80 HE22 GLN 80 1.374 6.811 -13.060 643 H LEU 81 HN LEU 81 -0.384 3.761 -6.929 644 HA LEU 81 HA LEU 81 1.259 1.470 -6.891 645 HB2 LEU 81 HB2 LEU 81 0.854 3.698 -5.243 646 HB3 LEU 81 HB3 LEU 81 0.294 2.360 -4.240 647 HG LEU 81 HG LEU 81 2.828 1.780 -5.618 648 HD11 LEU 81 HD11 LEU 81 3.142 4.209 -5.197 649 HD12 LEU 81 HD12 LEU 81 4.344 3.099 -4.530 650 HD13 LEU 81 HD13 LEU 81 3.136 3.827 -3.453 651 HD21 LEU 81 HD21 LEU 81 2.067 1.769 -2.687 652 HD22 LEU 81 HD22 LEU 81 3.499 0.981 -3.369 653 HD23 LEU 81 HD23 LEU 81 1.867 0.389 -3.771 654 H MET 82 HN MET 82 -2.044 1.939 -5.787 655 HA MET 82 HA MET 82 -2.342 -0.571 -4.453 656 HB2 MET 82 HB2 MET 82 -4.348 1.348 -5.711 657 HB3 MET 82 HB3 MET 82 -4.858 -0.204 -5.046 658 HG2 MET 82 HG2 MET 82 -3.244 1.863 -3.522 659 HG3 MET 82 HG3 MET 82 -4.992 1.680 -3.394 660 HE1 MET 82 HE1 MET 82 -2.616 1.536 -1.207 661 HE2 MET 82 HE2 MET 82 -4.342 1.581 -0.764 662 HE3 MET 82 HE3 MET 82 -3.278 0.338 -0.073 663 H HIS 83 HN HIS 83 -2.979 0.536 -7.814 664 HA HIS 83 HA HIS 83 -4.048 -1.800 -8.821 665 HB2 HIS 83 HB2 HIS 83 -3.842 0.485 -9.936 666 HB3 HIS 83 HB3 HIS 83 -2.212 0.040 -10.415 667 HD1 HIS 83 HD1 HIS 83 -3.082 0.215 -13.010 668 HD2 HIS 83 HD2 HIS 83 -4.852 -2.733 -10.580 669 HE1 HIS 83 HE1 HIS 83 -4.380 -1.350 -14.574 670 H PHE 84 HN PHE 84 -0.574 -0.874 -8.760 671 HA PHE 84 HA PHE 84 0.419 -3.123 -10.143 672 HB2 PHE 84 HB2 PHE 84 1.796 -1.181 -9.724 673 HB3 PHE 84 HB3 PHE 84 1.710 -1.414 -7.988 674 HD1 PHE 84 HD2 PHE 84 2.924 -3.417 -6.931 675 HD2 PHE 84 HD1 PHE 84 3.394 -2.388 -11.100 676 HE1 PHE 84 HE2 PHE 84 4.957 -4.793 -7.033 677 HE2 PHE 84 HE1 PHE 84 5.476 -3.746 -11.176 678 HZ PHE 84 HZ PHE 84 6.259 -4.958 -9.144 679 H ALA 85 HN ALA 85 -0.182 -2.763 -6.630 680 HA ALA 85 HA ALA 85 0.856 -5.247 -5.698 681 HB1 ALA 85 HB1 ALA 85 0.088 -3.360 -4.247 682 HB2 ALA 85 HB2 ALA 85 -1.581 -3.638 -4.755 683 HB3 ALA 85 HB3 ALA 85 -0.717 -4.867 -3.842 684 H THR 86 HN THR 86 -2.461 -4.373 -6.580 685 HA THR 86 HA THR 86 -3.600 -6.904 -6.395 686 HB THR 86 HB THR 86 -4.530 -4.742 -8.328 687 HG1 THR 86 HG1 THR 86 -4.162 -3.608 -6.455 688 HG21 THR 86 HG21 THR 86 -6.734 -5.520 -7.755 689 HG22 THR 86 HG22 THR 86 -6.111 -6.526 -6.421 690 HG23 THR 86 HG23 THR 86 -5.768 -6.959 -8.094 691 H GLU 87 HN GLU 87 -2.122 -5.311 -9.296 692 HA GLU 87 HA GLU 87 -2.785 -7.285 -11.134 693 HB2 GLU 87 HB2 GLU 87 -0.639 -5.167 -10.910 694 HB3 GLU 87 HB3 GLU 87 -0.580 -6.291 -12.247 695 HG2 GLU 87 HG2 GLU 87 -3.112 -4.737 -11.607 696 HG3 GLU 87 HG3 GLU 87 -1.809 -4.070 -12.601 697 H ASN 88 HN ASN 88 -0.022 -7.146 -8.917 698 HA ASN 88 HA ASN 88 1.150 -9.584 -10.141 699 HB2 ASN 88 HB2 ASN 88 2.042 -7.802 -7.861 700 HB3 ASN 88 HB3 ASN 88 2.893 -9.270 -8.363 701 HD21 ASN 88 HD21 ASN 88 2.177 -5.914 -9.232 702 HD22 ASN 88 HD22 ASN 88 3.377 -5.824 -10.499 703 H GLN 89 HN GLN 89 -1.503 -9.200 -8.392 704 HA GLN 89 HA GLN 89 -2.678 -10.153 -6.764 705 HB2 GLN 89 HB2 GLN 89 -1.285 -12.717 -7.549 706 HB3 GLN 89 HB3 GLN 89 -2.833 -12.560 -6.717 707 HG2 GLN 89 HG2 GLN 89 -2.431 -11.558 -9.551 708 HG3 GLN 89 HG3 GLN 89 -2.915 -13.201 -9.127 709 HE21 GLN 89 HE21 GLN 89 -4.033 -9.762 -8.933 710 HE22 GLN 89 HE22 GLN 89 -5.703 -10.154 -8.760 711 H LEU 90 HN LEU 90 -0.440 -8.921 -5.842 712 HA LEU 90 HA LEU 90 0.901 -10.507 -3.825 713 HB2 LEU 90 HB2 LEU 90 0.716 -7.546 -4.346 714 HB3 LEU 90 HB3 LEU 90 1.641 -8.245 -3.004 715 HG LEU 90 HG LEU 90 2.121 -9.038 -5.905 716 HD11 LEU 90 HD11 LEU 90 4.088 -7.521 -5.860 717 HD12 LEU 90 HD12 LEU 90 3.621 -6.954 -4.236 718 HD13 LEU 90 HD13 LEU 90 2.590 -6.607 -5.645 719 HD21 LEU 90 HD21 LEU 90 3.684 -9.474 -3.363 720 HD22 LEU 90 HD22 LEU 90 4.334 -9.689 -5.009 721 HD23 LEU 90 HD23 LEU 90 2.973 -10.691 -4.465 722 H ASN 91 HN ASN 91 0.592 -9.801 -1.407 723 HA ASN 91 HA ASN 91 -2.338 -9.843 -0.811 724 HB2 ASN 91 HB2 ASN 91 -0.712 -11.605 0.092 725 HB3 ASN 91 HB3 ASN 91 0.021 -10.304 1.012 726 HD21 ASN 91 HD21 ASN 91 -0.543 -11.787 2.810 727 HD22 ASN 91 HD22 ASN 91 -2.188 -11.823 3.411 728 H ILE 92 HN ILE 92 -3.144 -7.789 -0.386 729 HA ILE 92 HA ILE 92 -1.264 -5.669 0.533 730 HB ILE 92 HB ILE 92 -4.218 -5.350 0.058 731 HG12 ILE 92 HG12 ILE 92 -1.917 -4.752 -1.825 732 HG13 ILE 92 HG13 ILE 92 -3.151 -6.014 -2.003 733 HG21 ILE 92 HG21 ILE 92 -3.298 -3.641 1.534 734 HG22 ILE 92 HG22 ILE 92 -1.847 -3.469 0.542 735 HG23 ILE 92 HG23 ILE 92 -3.401 -2.866 -0.034 736 HD11 ILE 92 HD11 ILE 92 -3.575 -4.209 -3.528 737 HD12 ILE 92 HD12 ILE 92 -4.881 -4.347 -2.356 738 HD13 ILE 92 HD13 ILE 92 -3.664 -3.050 -2.202 739 H LEU 93 HN LEU 93 -1.029 -5.343 2.668 740 HA LEU 93 HA LEU 93 -3.076 -6.266 4.608 741 HB2 LEU 93 HB2 LEU 93 -0.075 -5.809 4.768 742 HB3 LEU 93 HB3 LEU 93 -1.070 -5.639 6.186 743 HG LEU 93 HG LEU 93 -1.664 -7.909 6.257 744 HD11 LEU 93 HD11 LEU 93 -0.922 -9.608 4.621 745 HD12 LEU 93 HD12 LEU 93 -0.456 -8.294 3.506 746 HD13 LEU 93 HD13 LEU 93 -2.151 -8.518 3.990 747 HD21 LEU 93 HD21 LEU 93 1.242 -7.747 5.397 748 HD22 LEU 93 HD22 LEU 93 0.507 -8.966 6.473 749 HD23 LEU 93 HD23 LEU 93 0.608 -7.273 6.986 750 H ASP 94 HN ASP 94 -3.410 -4.766 6.291 751 HA ASP 94 HA ASP 94 -3.233 -1.865 5.544 752 HB2 ASP 94 HB2 ASP 94 -5.392 -3.203 6.387 753 HB3 ASP 94 HB3 ASP 94 -4.720 -2.839 7.928 754 H ALA 95 HN ALA 95 -3.264 -0.803 7.903 755 HA ALA 95 HA ALA 95 -0.495 -0.907 8.687 756 HB1 ALA 95 HB1 ALA 95 -1.788 1.131 9.069 757 HB2 ALA 95 HB2 ALA 95 -2.744 0.295 10.328 758 HB3 ALA 95 HB3 ALA 95 -1.003 0.596 10.551 759 H GLU 96 HN GLU 96 -3.268 -2.596 10.236 760 HA GLU 96 HA GLU 96 -1.644 -3.377 12.540 761 HB2 GLU 96 HB2 GLU 96 -4.458 -3.828 11.686 762 HB3 GLU 96 HB3 GLU 96 -3.694 -5.154 12.571 763 HG2 GLU 96 HG2 GLU 96 -3.024 -3.356 14.264 764 HG3 GLU 96 HG3 GLU 96 -4.085 -2.270 13.313 765 H GLY 97 HN GLY 97 -2.150 -4.531 9.315 766 HA2 GLY 97 HA2 GLY 97 -0.757 -6.193 8.307 767 HA3 GLY 97 HA1 GLY 97 -0.453 -6.893 9.909 768 H ASN 98 HN ASN 98 -3.732 -6.060 9.006 769 HA ASN 98 HA ASN 98 -4.474 -8.917 8.639 770 HB2 ASN 98 HB2 ASN 98 -6.263 -6.442 8.800 771 HB3 ASN 98 HB3 ASN 98 -6.758 -8.109 8.800 772 HD21 ASN 98 HD21 ASN 98 -6.580 -5.603 11.043 773 HD22 ASN 98 HD22 ASN 98 -6.209 -6.563 12.400 774 H SER 99 HN SER 99 -5.060 -9.560 6.501 775 HA SER 99 HA SER 99 -4.330 -7.980 4.263 776 HB2 SER 99 HB2 SER 99 -5.608 -9.821 3.029 777 HB3 SER 99 HB3 SER 99 -4.246 -10.327 4.041 778 HG SER 99 HG SER 99 -6.886 -10.250 5.036 779 H ILE 100 HN ILE 100 -5.588 -6.580 2.942 780 HA ILE 100 HA ILE 100 -8.502 -6.363 3.464 781 HB ILE 100 HB ILE 100 -8.206 -3.858 3.304 782 HG12 ILE 100 HG12 ILE 100 -5.386 -4.207 4.321 783 HG13 ILE 100 HG13 ILE 100 -5.634 -4.210 2.602 784 HG21 ILE 100 HG21 ILE 100 -8.767 -4.984 5.417 785 HG22 ILE 100 HG22 ILE 100 -7.027 -5.149 5.796 786 HG23 ILE 100 HG23 ILE 100 -7.779 -3.540 5.664 787 HD11 ILE 100 HD11 ILE 100 -6.710 -2.030 2.644 788 HD12 ILE 100 HD12 ILE 100 -6.545 -1.950 4.410 789 HD13 ILE 100 HD13 ILE 100 -5.094 -1.958 3.383 790 H ASP 101 HN ASP 101 -9.566 -4.925 1.769 791 HA ASP 101 HA ASP 101 -8.292 -5.234 -0.918 792 HB2 ASP 101 HB2 ASP 101 -11.100 -5.154 -0.059 793 HB3 ASP 101 HB3 ASP 101 -10.785 -4.113 -1.382 794 H ALA 102 HN ALA 102 -8.464 -3.541 -2.292 795 HA ALA 102 HA ALA 102 -7.414 -1.159 -0.968 796 HB1 ALA 102 HB1 ALA 102 -6.745 -0.371 -3.144 797 HB2 ALA 102 HB2 ALA 102 -6.277 -2.064 -2.940 798 HB3 ALA 102 HB3 ALA 102 -7.698 -1.644 -3.943 799 H ALA 103 HN ALA 103 -10.497 -1.971 -2.329 800 HA ALA 103 HA ALA 103 -11.523 0.656 -2.875 801 HB1 ALA 103 HB1 ALA 103 -12.642 -1.488 -3.427 802 HB2 ALA 103 HB2 ALA 103 -12.921 -1.810 -1.690 803 HB3 ALA 103 HB3 ALA 103 -13.708 -0.422 -2.475 804 H GLN 104 HN GLN 104 -10.716 -1.028 0.109 805 HA GLN 104 HA GLN 104 -12.353 0.670 1.831 806 HB2 GLN 104 HB2 GLN 104 -10.231 -1.441 2.435 807 HB3 GLN 104 HB3 GLN 104 -11.311 -0.681 3.607 808 HG2 GLN 104 HG2 GLN 104 -13.001 -1.661 1.471 809 HG3 GLN 104 HG3 GLN 104 -11.824 -2.926 1.815 810 HE21 GLN 104 HE21 GLN 104 -11.890 -3.958 3.806 811 HE22 GLN 104 HE22 GLN 104 -13.135 -3.720 5.017 812 H VAL 105 HN VAL 105 -9.571 1.271 0.118 813 HA VAL 105 HA VAL 105 -8.499 3.148 2.128 814 HB VAL 105 HB VAL 105 -6.930 1.568 0.059 815 HG11 VAL 105 HG11 VAL 105 -5.896 3.705 0.742 816 HG12 VAL 105 HG12 VAL 105 -6.042 3.212 2.448 817 HG13 VAL 105 HG13 VAL 105 -4.991 2.307 1.361 818 HG21 VAL 105 HG21 VAL 105 -6.039 0.393 2.159 819 HG22 VAL 105 HG22 VAL 105 -7.465 1.012 3.004 820 HG23 VAL 105 HG23 VAL 105 -7.639 -0.082 1.597 821 H THR 106 HN THR 106 -9.103 2.543 -1.398 822 HA THR 106 HA THR 106 -8.092 5.154 -2.044 823 HB THR 106 HB THR 106 -9.064 4.649 -4.298 824 HG1 THR 106 HG1 THR 106 -10.728 3.231 -3.675 825 HG21 THR 106 HG21 THR 106 -6.740 4.071 -3.724 826 HG22 THR 106 HG22 THR 106 -7.444 2.892 -4.836 827 HG23 THR 106 HG23 THR 106 -7.277 2.485 -3.115 828 H GLU 107 HN GLU 107 -10.952 4.231 -0.591 829 HA GLU 107 HA GLU 107 -12.494 6.559 -1.568 830 HB2 GLU 107 HB2 GLU 107 -13.309 4.199 0.162 831 HB3 GLU 107 HB3 GLU 107 -14.360 5.519 -0.308 832 HG2 GLU 107 HG2 GLU 107 -13.909 5.031 -2.708 833 HG3 GLU 107 HG3 GLU 107 -13.172 3.569 -2.083 834 H ILE 108 HN ILE 108 -10.112 6.177 0.522 835 HA ILE 108 HA ILE 108 -11.148 7.981 2.627 836 HB ILE 108 HB ILE 108 -8.374 6.727 2.351 837 HG12 ILE 108 HG12 ILE 108 -10.844 5.727 3.819 838 HG13 ILE 108 HG13 ILE 108 -9.910 4.883 2.603 839 HG21 ILE 108 HG21 ILE 108 -8.557 8.809 3.688 840 HG22 ILE 108 HG22 ILE 108 -9.782 8.043 4.703 841 HG23 ILE 108 HG23 ILE 108 -8.112 7.430 4.676 842 HD11 ILE 108 HD11 ILE 108 -8.012 4.652 4.181 843 HD12 ILE 108 HD12 ILE 108 -9.009 5.430 5.461 844 HD13 ILE 108 HD13 ILE 108 -9.501 3.877 4.748
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