NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
540193 | 2lop | 18220 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H1 MET 1 -12.279 -18.006 -19.896 2 HA MET 1 HA MET 1 -13.264 -19.995 -18.936 3 HB2 MET 1 HB2 MET 1 -12.937 -18.392 -16.579 4 HB3 MET 1 HB3 MET 1 -14.668 -18.580 -16.781 5 HG2 MET 1 HG2 MET 1 -14.544 -20.972 -16.679 6 HG3 MET 1 HG3 MET 1 -12.820 -20.987 -16.996 7 HE1 MET 1 HE1 MET 1 -15.665 -20.231 -14.776 8 HE2 MET 1 HE2 MET 1 -15.115 -21.757 -14.045 9 HE3 MET 1 HE3 MET 1 -15.030 -20.243 -13.114 10 H ASP 2 H ASP 2 -14.988 -20.286 -20.276 11 HA ASP 2 HA ASP 2 -16.851 -19.960 -21.335 12 HB2 ASP 2 HB2 ASP 2 -17.269 -18.363 -18.856 13 HB3 ASP 2 HB3 ASP 2 -18.295 -17.884 -20.193 14 H LEU 3 H LEU 3 -17.011 -18.893 -23.321 15 HA LEU 3 HA LEU 3 -15.871 -16.198 -23.452 16 HB2 LEU 3 HB2 LEU 3 -15.938 -18.538 -25.263 17 HB3 LEU 3 HB3 LEU 3 -16.122 -16.972 -26.026 18 HG LEU 3 HG LEU 3 -13.990 -16.358 -24.588 19 HD11 LEU 3 HD11 LEU 3 -12.487 -18.154 -24.159 20 HD12 LEU 3 HD12 LEU 3 -14.041 -18.573 -23.399 21 HD13 LEU 3 HD13 LEU 3 -13.569 -19.334 -24.937 22 HD21 LEU 3 HD21 LEU 3 -13.465 -16.084 -26.744 23 HD22 LEU 3 HD22 LEU 3 -12.718 -17.694 -26.617 24 HD23 LEU 3 HD23 LEU 3 -14.372 -17.529 -27.252 25 H ILE 4 H ILE 4 -17.914 -15.393 -22.433 26 HA ILE 4 HA ILE 4 -20.015 -15.200 -24.478 27 HB ILE 4 HB ILE 4 -21.650 -15.083 -22.729 28 HG12 ILE 4 HG12 ILE 4 -20.511 -15.827 -20.353 29 HG13 ILE 4 HG13 ILE 4 -19.285 -14.751 -20.993 30 HG21 ILE 4 HG21 ILE 4 -19.957 -17.458 -21.992 31 HG22 ILE 4 HG22 ILE 4 -21.725 -17.335 -22.163 32 HG23 ILE 4 HG23 ILE 4 -20.688 -17.316 -23.609 33 HD11 ILE 4 HD11 ILE 4 -22.230 -14.124 -20.531 34 HD12 ILE 4 HD12 ILE 4 -20.821 -13.379 -19.738 35 HD13 ILE 4 HD13 ILE 4 -21.148 -13.057 -21.458 36 H GLY 5 H GLY 5 -21.445 -13.120 -23.932 37 HA2 GLY 5 HA2 GLY 5 -20.161 -10.885 -24.617 38 HA3 GLY 5 HA3 GLY 5 -21.553 -10.881 -23.554 39 H PHE 6 H PHE 6 -18.526 -9.638 -23.831 40 HA PHE 6 HA PHE 6 -17.643 -10.105 -21.126 41 HB2 PHE 6 HB2 PHE 6 -15.900 -9.904 -22.771 42 HB3 PHE 6 HB3 PHE 6 -16.746 -8.640 -23.641 43 HD1 PHE 6 HD2 PHE 6 -14.698 -9.360 -20.664 44 HD2 PHE 6 HD1 PHE 6 -16.439 -6.339 -23.082 45 HE1 PHE 6 HE2 PHE 6 -13.302 -7.627 -19.503 46 HE2 PHE 6 HE1 PHE 6 -15.043 -4.606 -21.921 47 HZ PHE 6 HZ PHE 6 -13.491 -5.270 -20.146 48 H GLY 7 H GLY 7 -18.578 -7.220 -23.141 49 HA2 GLY 7 HA2 GLY 7 -18.462 -5.196 -21.413 50 HA3 GLY 7 HA3 GLY 7 -19.800 -5.403 -22.526 51 H TYR 8 H TYR 8 -21.302 -7.472 -21.591 52 HA TYR 8 HA TYR 8 -22.805 -6.408 -19.587 53 HB2 TYR 8 HB2 TYR 8 -22.288 -9.023 -20.939 54 HB3 TYR 8 HB3 TYR 8 -22.948 -9.234 -19.329 55 HD1 TYR 8 HD2 TYR 8 -23.627 -6.834 -22.146 56 HD2 TYR 8 HD1 TYR 8 -25.217 -9.677 -19.373 57 HE1 TYR 8 HE2 TYR 8 -25.967 -6.412 -23.044 58 HE2 TYR 8 HE1 TYR 8 -27.553 -9.245 -20.280 59 HH TYR 8 HH TYR 8 -28.557 -8.454 -22.356 60 H ALA 9 H ALA 9 -20.197 -8.914 -19.255 61 HA ALA 9 HA ALA 9 -20.450 -9.239 -16.510 62 HB1 ALA 9 HB1 ALA 9 -18.137 -10.149 -16.686 63 HB2 ALA 9 HB2 ALA 9 -19.210 -10.770 -17.963 64 HB3 ALA 9 HB3 ALA 9 -18.026 -9.494 -18.337 65 H ALA 10 H ALA 10 -18.822 -6.749 -18.485 66 HA ALA 10 HA ALA 10 -17.327 -5.663 -16.334 67 HB1 ALA 10 HB1 ALA 10 -16.360 -4.775 -18.160 68 HB2 ALA 10 HB2 ALA 10 -17.752 -5.219 -19.178 69 HB3 ALA 10 HB3 ALA 10 -17.754 -3.676 -18.290 70 H LEU 11 H LEU 11 -20.644 -5.338 -17.551 71 HA LEU 11 HA LEU 11 -21.170 -2.884 -16.227 72 HB2 LEU 11 HB2 LEU 11 -22.578 -4.824 -17.887 73 HB3 LEU 11 HB3 LEU 11 -23.590 -4.181 -16.609 74 HG LEU 11 HG LEU 11 -23.853 -2.896 -18.652 75 HD11 LEU 11 HD11 LEU 11 -23.540 -1.862 -16.159 76 HD12 LEU 11 HD12 LEU 11 -22.353 -0.902 -17.075 77 HD13 LEU 11 HD13 LEU 11 -24.059 -0.929 -17.584 78 HD21 LEU 11 HD21 LEU 11 -21.799 -1.407 -19.293 79 HD22 LEU 11 HD22 LEU 11 -20.862 -2.713 -18.526 80 HD23 LEU 11 HD23 LEU 11 -21.929 -3.074 -19.905 81 H VAL 12 H VAL 12 -22.260 -6.289 -15.549 82 HA VAL 12 HA VAL 12 -23.357 -5.760 -13.083 83 HB VAL 12 HB VAL 12 -23.689 -7.810 -14.327 84 HG11 VAL 12 HG11 VAL 12 -21.381 -8.018 -15.226 85 HG12 VAL 12 HG12 VAL 12 -20.827 -8.537 -13.617 86 HG13 VAL 12 HG13 VAL 12 -21.991 -9.534 -14.521 87 HG21 VAL 12 HG21 VAL 12 -22.413 -8.280 -11.611 88 HG22 VAL 12 HG22 VAL 12 -24.117 -7.880 -11.933 89 HG23 VAL 12 HG23 VAL 12 -23.452 -9.440 -12.474 90 H THR 13 H THR 13 -19.949 -6.400 -14.025 91 HA THR 13 HA THR 13 -18.928 -6.694 -11.438 92 HB THR 13 HB THR 13 -17.799 -5.816 -14.134 93 HG1 THR 13 HG1 THR 13 -17.163 -8.019 -14.035 94 HG21 THR 13 HG21 THR 13 -16.401 -4.881 -12.189 95 HG22 THR 13 HG22 THR 13 -16.204 -6.560 -11.633 96 HG23 THR 13 HG23 THR 13 -15.557 -6.066 -13.215 97 H PHE 14 H PHE 14 -19.158 -3.737 -13.524 98 HA PHE 14 HA PHE 14 -18.018 -1.998 -11.729 99 HB2 PHE 14 HB2 PHE 14 -19.886 -1.998 -14.064 100 HB3 PHE 14 HB3 PHE 14 -20.106 -0.603 -13.027 101 HD1 PHE 14 HD2 PHE 14 -17.040 -2.463 -14.078 102 HD2 PHE 14 HD1 PHE 14 -19.136 1.227 -14.039 103 HE1 PHE 14 HE2 PHE 14 -15.082 -1.339 -15.174 104 HE2 PHE 14 HE1 PHE 14 -17.178 2.351 -15.135 105 HZ PHE 14 HZ PHE 14 -15.174 1.055 -15.690 106 H GLY 15 H GLY 15 -21.547 -2.768 -12.171 107 HA2 GLY 15 HA2 GLY 15 -22.512 -1.126 -10.140 108 HA3 GLY 15 HA3 GLY 15 -23.292 -2.562 -10.772 109 H SER 16 H SER 16 -22.264 -4.749 -9.972 110 HA SER 16 HA SER 16 -22.724 -5.068 -7.385 111 HB2 SER 16 HB2 SER 16 -21.194 -7.090 -7.501 112 HB3 SER 16 HB3 SER 16 -22.370 -6.983 -8.796 113 HG SER 16 HG SER 16 -20.716 -6.129 -10.192 114 H ILE 17 H ILE 17 -19.433 -4.465 -8.818 115 HA ILE 17 HA ILE 17 -17.968 -4.462 -6.520 116 HB ILE 17 HB ILE 17 -17.738 -2.981 -9.116 117 HG12 ILE 17 HG12 ILE 17 -17.348 -5.421 -9.049 118 HG13 ILE 17 HG13 ILE 17 -15.928 -4.514 -9.529 119 HG21 ILE 17 HG21 ILE 17 -16.367 -2.318 -6.624 120 HG22 ILE 17 HG22 ILE 17 -15.246 -2.743 -7.940 121 HG23 ILE 17 HG23 ILE 17 -16.436 -1.439 -8.170 122 HD11 ILE 17 HD11 ILE 17 -15.846 -4.709 -6.671 123 HD12 ILE 17 HD12 ILE 17 -16.232 -6.327 -7.303 124 HD13 ILE 17 HD13 ILE 17 -14.763 -5.485 -7.852 125 H PHE 18 H PHE 18 -19.823 -1.713 -7.976 126 HA PHE 18 HA PHE 18 -19.099 0.191 -6.113 127 HB2 PHE 18 HB2 PHE 18 -20.644 0.019 -8.377 128 HB3 PHE 18 HB3 PHE 18 -21.930 0.009 -7.187 129 HD1 PHE 18 HD2 PHE 18 -18.924 1.959 -8.201 130 HD2 PHE 18 HD1 PHE 18 -22.740 2.021 -6.345 131 HE1 PHE 18 HE2 PHE 18 -18.816 4.462 -8.063 132 HE2 PHE 18 HE1 PHE 18 -22.631 4.525 -6.207 133 HZ PHE 18 HZ PHE 18 -20.671 5.716 -7.068 134 H GLY 19 H GLY 19 -21.589 -2.386 -5.988 135 HA2 GLY 19 HA2 GLY 19 -22.825 -1.372 -3.601 136 HA3 GLY 19 HA3 GLY 19 -23.112 -2.910 -4.389 137 H TYR 20 H TYR 20 -19.987 -3.291 -4.382 138 HA TYR 20 HA TYR 20 -18.710 -4.678 -3.160 139 HB2 TYR 20 HB2 TYR 20 -19.402 -2.244 -1.422 140 HB3 TYR 20 HB3 TYR 20 -18.229 -3.418 -0.858 141 HD1 TYR 20 HD2 TYR 20 -16.221 -3.922 -2.468 142 HD2 TYR 20 HD1 TYR 20 -18.706 -0.451 -2.754 143 HE1 TYR 20 HE2 TYR 20 -14.400 -2.716 -3.769 144 HE2 TYR 20 HE1 TYR 20 -16.876 0.743 -4.054 145 HH TYR 20 HH TYR 20 -13.993 -0.969 -5.093 146 H LYS 21 H LYS 21 -19.967 -6.575 -2.872 147 HA LYS 21 HA LYS 21 -20.505 -7.222 -0.198 148 HB2 LYS 21 HB2 LYS 21 -22.989 -7.580 -0.446 149 HB3 LYS 21 HB3 LYS 21 -22.474 -5.914 -0.286 150 HG2 LYS 21 HG2 LYS 21 -22.996 -5.382 -2.494 151 HG3 LYS 21 HG3 LYS 21 -22.658 -6.998 -3.082 152 HD2 LYS 21 HD2 LYS 21 -24.760 -7.784 -1.835 153 HD3 LYS 21 HD3 LYS 21 -25.123 -6.097 -1.525 154 HE2 LYS 21 HE2 LYS 21 -24.528 -6.273 -4.316 155 HE3 LYS 21 HE3 LYS 21 -25.563 -7.641 -3.957 156 HZ1 LYS 21 HZ1 LYS 21 -26.665 -5.556 -2.608 157 HZ2 LYS 21 HZ2 LYS 21 -26.219 -4.903 -4.036 158 HZ3 LYS 21 HZ3 LYS 21 -27.211 -6.200 -4.006 159 H ARG 22 H ARG 22 -18.801 -8.410 -1.857 160 HA ARG 22 HA ARG 22 -20.109 -10.919 -2.291 161 HB2 ARG 22 HB2 ARG 22 -20.134 -9.471 -4.493 162 HB3 ARG 22 HB3 ARG 22 -18.414 -9.803 -4.561 163 HG2 ARG 22 HG2 ARG 22 -20.294 -12.126 -4.128 164 HG3 ARG 22 HG3 ARG 22 -20.201 -11.428 -5.733 165 HD2 ARG 22 HD2 ARG 22 -17.512 -11.778 -4.634 166 HD3 ARG 22 HD3 ARG 22 -18.394 -13.290 -4.562 167 HE ARG 22 HE ARG 22 -18.635 -11.880 -7.133 168 HH11 ARG 22 HH22 ARG 22 -16.822 -14.249 -5.266 169 HH12 ARG 22 HH21 ARG 22 -16.156 -15.029 -6.661 170 HH21 ARG 22 HH12 ARG 22 -17.756 -12.908 -8.975 171 HH22 ARG 22 HH11 ARG 22 -16.691 -14.261 -8.786 172 H ARG 23 H ARG 23 -17.047 -9.052 -2.947 173 HA ARG 23 HA ARG 23 -15.304 -11.092 -2.805 174 HB2 ARG 23 HB2 ARG 23 -13.604 -9.396 -2.165 175 HB3 ARG 23 HB3 ARG 23 -14.694 -8.748 -3.375 176 HG2 ARG 23 HG2 ARG 23 -15.647 -7.231 -1.915 177 HG3 ARG 23 HG3 ARG 23 -15.549 -8.319 -0.545 178 HD2 ARG 23 HD2 ARG 23 -12.867 -7.858 -1.029 179 HD3 ARG 23 HD3 ARG 23 -13.557 -6.326 -1.527 180 HE ARG 23 HE ARG 23 -13.317 -7.278 1.182 181 HH11 ARG 23 HH22 ARG 23 -15.492 -5.469 -0.912 182 HH12 ARG 23 HH21 ARG 23 -16.191 -4.560 0.386 183 HH21 ARG 23 HH12 ARG 23 -14.240 -6.079 2.895 184 HH22 ARG 23 HH11 ARG 23 -15.474 -4.909 2.566 185 H GLY 24 H GLY 24 -13.539 -11.296 -0.892 186 HA2 GLY 24 HA2 GLY 24 -13.913 -10.826 1.720 187 HA3 GLY 24 HA3 GLY 24 -15.033 -12.144 1.445 188 H GLY 25 H GLY 25 -11.618 -11.218 0.588 189 HA2 GLY 25 HA2 GLY 25 -10.852 -14.020 1.158 190 HA3 GLY 25 HA3 GLY 25 -10.159 -13.065 -0.138 191 H VAL 26 H VAL 26 -9.896 -10.527 1.177 192 HA VAL 26 HA VAL 26 -8.326 -9.436 2.300 193 HB VAL 26 HB VAL 26 -9.301 -11.418 4.351 194 HG11 VAL 26 HG11 VAL 26 -8.265 -9.328 5.810 195 HG12 VAL 26 HG12 VAL 26 -7.483 -10.909 5.574 196 HG13 VAL 26 HG13 VAL 26 -7.047 -9.536 4.529 197 HG21 VAL 26 HG21 VAL 26 -10.174 -9.013 5.185 198 HG22 VAL 26 HG22 VAL 26 -10.082 -8.694 3.436 199 HG23 VAL 26 HG23 VAL 26 -11.083 -10.034 4.045 200 HA PRO 27 HA PRO 27 -5.152 -12.606 1.500 201 HB2 PRO 27 HB2 PRO 27 -4.086 -11.550 -0.785 202 HB3 PRO 27 HB3 PRO 27 -5.301 -12.813 -0.789 203 HG2 PRO 27 HG2 PRO 27 -5.613 -9.939 -1.408 204 HG3 PRO 27 HG3 PRO 27 -6.680 -11.270 -1.808 205 HD2 PRO 27 HD2 PRO 27 -7.056 -9.336 0.276 206 HD3 PRO 27 HD3 PRO 27 -8.061 -10.734 -0.050 207 H SER 28 H SER 28 -4.841 -9.142 0.925 208 HA SER 28 HA SER 28 -3.226 -8.735 3.081 209 HB2 SER 28 HB2 SER 28 -1.474 -10.072 2.116 210 HB3 SER 28 HB3 SER 28 -1.678 -9.342 0.536 211 HG SER 28 HG SER 28 -0.337 -7.772 1.094 212 H LEU 29 H LEU 29 -3.740 -7.941 -0.406 213 HA LEU 29 HA LEU 29 -2.984 -5.366 -0.529 214 HB2 LEU 29 HB2 LEU 29 -5.255 -6.884 -1.744 215 HB3 LEU 29 HB3 LEU 29 -5.141 -5.157 -2.018 216 HG LEU 29 HG LEU 29 -2.638 -6.658 -2.501 217 HD11 LEU 29 HD11 LEU 29 -3.970 -7.049 -4.905 218 HD12 LEU 29 HD12 LEU 29 -3.524 -8.297 -3.717 219 HD13 LEU 29 HD13 LEU 29 -5.145 -7.564 -3.671 220 HD21 LEU 29 HD21 LEU 29 -3.447 -5.124 -4.732 221 HD22 LEU 29 HD22 LEU 29 -3.884 -4.192 -3.280 222 HD23 LEU 29 HD23 LEU 29 -2.206 -4.736 -3.516 223 H ILE 30 H ILE 30 -6.076 -6.613 0.874 224 HA ILE 30 HA ILE 30 -7.268 -4.213 1.427 225 HB ILE 30 HB ILE 30 -8.325 -6.390 1.653 226 HG12 ILE 30 HG12 ILE 30 -9.139 -5.851 4.203 227 HG13 ILE 30 HG13 ILE 30 -8.427 -4.314 3.757 228 HG21 ILE 30 HG21 ILE 30 -6.396 -7.583 2.651 229 HG22 ILE 30 HG22 ILE 30 -6.703 -6.739 4.188 230 HG23 ILE 30 HG23 ILE 30 -7.922 -7.856 3.528 231 HD11 ILE 30 HD11 ILE 30 -10.417 -5.788 1.979 232 HD12 ILE 30 HD12 ILE 30 -10.895 -4.563 3.178 233 HD13 ILE 30 HD13 ILE 30 -9.853 -4.108 1.809 234 H ALA 31 H ALA 31 -4.954 -6.079 3.511 235 HA ALA 31 HA ALA 31 -4.895 -4.247 5.593 236 HB1 ALA 31 HB1 ALA 31 -2.958 -5.451 6.313 237 HB2 ALA 31 HB2 ALA 31 -3.993 -6.636 5.480 238 HB3 ALA 31 HB3 ALA 31 -2.569 -5.960 4.652 239 H GLY 32 H GLY 32 -3.326 -4.269 2.398 240 HA2 GLY 32 HA2 GLY 32 -1.389 -2.264 2.986 241 HA3 GLY 32 HA3 GLY 32 -1.900 -2.827 1.407 242 H LEU 33 H LEU 33 -4.823 -2.284 2.002 243 HA LEU 33 HA LEU 33 -4.803 0.425 1.119 244 HB2 LEU 33 HB2 LEU 33 -6.740 -1.776 1.415 245 HB3 LEU 33 HB3 LEU 33 -7.412 -0.171 1.623 246 HG LEU 33 HG LEU 33 -5.932 0.165 -0.661 247 HD11 LEU 33 HD11 LEU 33 -5.271 -2.035 -1.052 248 HD12 LEU 33 HD12 LEU 33 -6.839 -2.704 -0.541 249 HD13 LEU 33 HD13 LEU 33 -6.704 -1.835 -2.089 250 HD21 LEU 33 HD21 LEU 33 -8.197 0.964 -0.312 251 HD22 LEU 33 HD22 LEU 33 -8.089 0.071 -1.848 252 HD23 LEU 33 HD23 LEU 33 -8.828 -0.697 -0.423 253 H PHE 34 H PHE 34 -5.698 -1.326 4.143 254 HA PHE 34 HA PHE 34 -6.720 0.912 5.464 255 HB2 PHE 34 HB2 PHE 34 -5.671 -1.851 6.040 256 HB3 PHE 34 HB3 PHE 34 -5.634 -0.765 7.414 257 HD1 PHE 34 HD1 PHE 34 -7.908 0.582 7.783 258 HD2 PHE 34 HD2 PHE 34 -7.576 -3.108 5.715 259 HE1 PHE 34 HE1 PHE 34 -10.338 0.122 8.213 260 HE2 PHE 34 HE2 PHE 34 -10.005 -3.568 6.145 261 HZ PHE 34 HZ PHE 34 -11.357 -1.948 7.389 262 H VAL 35 H VAL 35 -3.435 -0.642 5.588 263 HA VAL 35 HA VAL 35 -2.351 1.196 7.382 264 HB VAL 35 HB VAL 35 -1.033 -0.469 5.227 265 HG11 VAL 35 HG11 VAL 35 0.393 0.247 7.744 266 HG12 VAL 35 HG12 VAL 35 1.018 0.018 6.093 267 HG13 VAL 35 HG13 VAL 35 0.195 1.534 6.531 268 HG21 VAL 35 HG21 VAL 35 -2.500 -1.323 7.434 269 HG22 VAL 35 HG22 VAL 35 -1.314 -2.280 6.514 270 HG23 VAL 35 HG23 VAL 35 -0.808 -1.411 7.982 271 H GLY 36 H GLY 36 -1.982 1.011 3.765 272 HA2 GLY 36 HA2 GLY 36 -0.590 3.350 3.385 273 HA3 GLY 36 HA3 GLY 36 -1.704 2.637 2.236 274 H CYS 37 H CYS 37 -4.146 2.848 3.795 275 HA CYS 37 HA CYS 37 -4.961 5.371 3.059 276 HB2 CYS 37 HB2 CYS 37 -6.090 3.178 4.731 277 HB3 CYS 37 HB3 CYS 37 -6.805 4.765 4.936 278 HG CYS 37 HG CYS 37 -8.338 4.255 3.171 279 H LEU 38 H LEU 38 -4.626 4.133 6.472 280 HA LEU 38 HA LEU 38 -4.811 6.455 7.806 281 HB2 LEU 38 HB2 LEU 38 -2.960 4.132 8.352 282 HB3 LEU 38 HB3 LEU 38 -3.297 5.413 9.500 283 HG LEU 38 HG LEU 38 -5.509 3.733 8.315 284 HD11 LEU 38 HD11 LEU 38 -5.211 2.018 9.764 285 HD12 LEU 38 HD12 LEU 38 -3.509 2.519 9.623 286 HD13 LEU 38 HD13 LEU 38 -4.480 3.049 11.018 287 HD21 LEU 38 HD21 LEU 38 -5.628 4.843 11.065 288 HD22 LEU 38 HD22 LEU 38 -5.690 6.013 9.726 289 HD23 LEU 38 HD23 LEU 38 -6.891 4.703 9.819 290 H ALA 39 H ALA 39 -1.949 5.230 6.009 291 HA ALA 39 HA ALA 39 -0.126 7.129 6.877 292 HB1 ALA 39 HB1 ALA 39 0.007 6.265 4.034 293 HB2 ALA 39 HB2 ALA 39 1.228 6.150 5.324 294 HB3 ALA 39 HB3 ALA 39 -0.089 4.956 5.236 295 H GLY 40 H GLY 40 -1.852 7.147 3.674 296 HA2 GLY 40 HA2 GLY 40 -1.269 9.766 3.011 297 HA3 GLY 40 HA3 GLY 40 -2.643 8.845 2.433 298 H TYR 41 H TYR 41 -4.517 8.600 4.160 299 HA TYR 41 HA TYR 41 -5.762 10.917 4.553 300 HB2 TYR 41 HB2 TYR 41 -5.616 8.216 5.830 301 HB3 TYR 41 HB3 TYR 41 -6.289 9.423 6.908 302 HD1 TYR 41 HD1 TYR 41 -6.700 7.943 3.504 303 HD2 TYR 41 HD2 TYR 41 -8.546 10.077 6.719 304 HE1 TYR 41 HE1 TYR 41 -8.966 7.696 2.376 305 HE2 TYR 41 HE2 TYR 41 -10.805 9.823 5.581 306 HH TYR 41 HH TYR 41 -11.222 9.204 2.525 307 H GLY 42 H GLY 42 -3.736 9.359 7.147 308 HA2 GLY 42 HA2 GLY 42 -3.895 11.332 9.042 309 HA3 GLY 42 HA3 GLY 42 -2.517 10.275 8.802 310 H ALA 43 H ALA 43 -1.419 11.021 6.391 311 HA ALA 43 HA ALA 43 0.034 13.273 7.026 312 HB1 ALA 43 HB1 ALA 43 1.169 12.705 5.149 313 HB2 ALA 43 HB2 ALA 43 0.084 11.295 5.104 314 HB3 ALA 43 HB3 ALA 43 -0.297 12.742 4.140 315 H TYR 44 H TYR 44 -3.106 12.911 5.385 316 HA TYR 44 HA TYR 44 -3.134 15.597 4.404 317 HB2 TYR 44 HB2 TYR 44 -4.380 13.301 3.737 318 HB3 TYR 44 HB3 TYR 44 -5.519 13.768 4.984 319 HD1 TYR 44 HD1 TYR 44 -3.746 15.922 2.485 320 HD2 TYR 44 HD2 TYR 44 -7.479 14.325 3.832 321 HE1 TYR 44 HE1 TYR 44 -4.983 17.385 0.814 322 HE2 TYR 44 HE2 TYR 44 -8.704 15.793 2.156 323 HH TYR 44 HH TYR 44 -6.905 17.780 -0.151 324 H ARG 45 H ARG 45 -4.109 13.906 7.377 325 HA ARG 45 HA ARG 45 -5.908 15.824 8.254 326 HB2 ARG 45 HB2 ARG 45 -5.410 13.403 9.140 327 HB3 ARG 45 HB3 ARG 45 -4.155 14.155 10.104 328 HG2 ARG 45 HG2 ARG 45 -5.753 15.550 11.275 329 HG3 ARG 45 HG3 ARG 45 -7.033 15.156 10.144 330 HD2 ARG 45 HD2 ARG 45 -7.602 13.305 11.335 331 HD3 ARG 45 HD3 ARG 45 -5.963 12.691 11.263 332 HE ARG 45 HE ARG 45 -6.240 14.861 13.194 333 HH11 ARG 45 HH22 ARG 45 -6.673 11.402 12.715 334 HH12 ARG 45 HH21 ARG 45 -6.537 11.022 14.400 335 HH21 ARG 45 HH12 ARG 45 -6.060 14.360 15.417 336 HH22 ARG 45 HH11 ARG 45 -6.186 12.716 15.947 337 H VAL 46 H VAL 46 -2.353 15.371 8.726 338 HA VAL 46 HA VAL 46 -0.757 16.767 9.350 339 HB VAL 46 HB VAL 46 -2.805 18.971 9.055 340 HG11 VAL 46 HG11 VAL 46 -0.312 19.173 10.109 341 HG12 VAL 46 HG12 VAL 46 0.049 19.413 8.383 342 HG13 VAL 46 HG13 VAL 46 -1.118 20.476 9.204 343 HG21 VAL 46 HG21 VAL 46 -2.701 18.832 6.817 344 HG22 VAL 46 HG22 VAL 46 -0.944 18.545 6.826 345 HG23 VAL 46 HG23 VAL 46 -2.069 17.189 7.078 346 H SER 47 H SER 47 -0.942 15.584 11.420 347 HA SER 47 HA SER 47 -1.936 17.390 13.484 348 HB2 SER 47 HB2 SER 47 -3.279 15.229 13.147 349 HB3 SER 47 HB3 SER 47 -1.865 14.352 13.696 350 HG SER 47 HG SER 47 -1.988 15.807 15.667 351 H ASN 48 H ASN 48 0.350 14.696 12.661 352 HA ASN 48 HA ASN 48 2.424 16.101 14.007 353 HB2 ASN 48 HB2 ASN 48 0.975 14.260 15.555 354 HB3 ASN 48 HB3 ASN 48 2.328 13.300 14.992 355 HD21 ASN 48 HD21 ASN 48 4.466 13.975 15.427 356 HD22 ASN 48 HD22 ASN 48 4.844 15.004 16.767 357 H ASP 49 H ASP 49 1.276 12.894 12.722 358 HA ASP 49 HA ASP 49 3.527 11.730 11.987 359 HB2 ASP 49 HB2 ASP 49 0.792 11.896 10.808 360 HB3 ASP 49 HB3 ASP 49 2.019 11.310 9.703 361 H LYS 50 H LYS 50 4.755 11.645 9.862 362 HA LYS 50 HA LYS 50 5.631 14.142 9.058 363 HB2 LYS 50 HB2 LYS 50 6.109 11.348 8.368 364 HB3 LYS 50 HB3 LYS 50 6.232 12.391 6.966 365 HG2 LYS 50 HG2 LYS 50 8.125 13.429 7.739 366 HG3 LYS 50 HG3 LYS 50 7.523 13.528 9.381 367 HD2 LYS 50 HD2 LYS 50 7.905 10.800 9.124 368 HD3 LYS 50 HD3 LYS 50 9.187 11.416 8.099 369 HE2 LYS 50 HE2 LYS 50 8.948 12.880 10.667 370 HE3 LYS 50 HE3 LYS 50 9.308 11.178 10.877 371 HZ1 LYS 50 HZ1 LYS 50 10.800 12.880 9.012 372 HZ2 LYS 50 HZ2 LYS 50 11.252 12.666 10.567 373 HZ3 LYS 50 HZ3 LYS 50 11.208 11.392 9.546 374 H ARG 51 H ARG 51 5.670 14.520 6.408 375 HA ARG 51 HA ARG 51 2.949 15.214 5.928 376 HB2 ARG 51 HB2 ARG 51 5.604 15.790 4.576 377 HB3 ARG 51 HB3 ARG 51 4.118 16.126 3.710 378 HG2 ARG 51 HG2 ARG 51 4.518 18.171 4.802 379 HG3 ARG 51 HG3 ARG 51 3.383 17.396 5.888 380 HD2 ARG 51 HD2 ARG 51 4.901 17.481 7.574 381 HD3 ARG 51 HD3 ARG 51 6.026 16.517 6.637 382 HE ARG 51 HE ARG 51 7.256 18.462 6.303 383 HH11 ARG 51 HH22 ARG 51 3.875 19.353 6.697 384 HH12 ARG 51 HH21 ARG 51 4.174 21.053 6.551 385 HH21 ARG 51 HH12 ARG 51 7.651 20.704 6.109 386 HH22 ARG 51 HH11 ARG 51 6.336 21.827 6.214 387 H ASP 52 H ASP 52 2.158 14.921 3.484 388 HA ASP 52 HA ASP 52 1.782 12.252 3.075 389 HB2 ASP 52 HB2 ASP 52 1.145 13.017 0.680 390 HB3 ASP 52 HB3 ASP 52 0.261 13.729 2.015 391 H VAL 53 H VAL 53 2.354 11.312 0.627 392 HA VAL 53 HA VAL 53 3.896 10.532 -0.751 393 HB VAL 53 HB VAL 53 5.543 12.959 -0.021 394 HG11 VAL 53 HG11 VAL 53 6.422 10.865 -1.419 395 HG12 VAL 53 HG12 VAL 53 5.563 11.703 -2.734 396 HG13 VAL 53 HG13 VAL 53 6.861 12.536 -1.846 397 HG21 VAL 53 HG21 VAL 53 3.095 13.333 -0.810 398 HG22 VAL 53 HG22 VAL 53 4.405 14.235 -1.609 399 HG23 VAL 53 HG23 VAL 53 3.697 12.806 -2.400 400 H LYS 54 H LYS 54 6.082 12.131 1.660 401 HA LYS 54 HA LYS 54 7.862 10.104 1.892 402 HB2 LYS 54 HB2 LYS 54 7.057 12.429 3.495 403 HB3 LYS 54 HB3 LYS 54 7.768 11.145 4.453 404 HG2 LYS 54 HG2 LYS 54 9.781 11.119 3.089 405 HG3 LYS 54 HG3 LYS 54 9.052 12.155 1.878 406 HD2 LYS 54 HD2 LYS 54 9.730 14.007 2.994 407 HD3 LYS 54 HD3 LYS 54 8.860 13.501 4.429 408 HE2 LYS 54 HE2 LYS 54 11.047 13.546 5.255 409 HE3 LYS 54 HE3 LYS 54 10.925 11.865 4.776 410 HZ1 LYS 54 HZ1 LYS 54 11.856 12.611 2.595 411 HZ2 LYS 54 HZ2 LYS 54 12.200 14.046 3.294 412 HZ3 LYS 54 HZ3 LYS 54 12.889 12.677 3.858 413 H VAL 55 H VAL 55 4.740 10.498 3.661 414 HA VAL 55 HA VAL 55 4.890 8.521 5.475 415 HB VAL 55 HB VAL 55 2.421 8.202 5.016 416 HG11 VAL 55 HG11 VAL 55 3.811 10.746 5.700 417 HG12 VAL 55 HG12 VAL 55 2.058 10.839 5.406 418 HG13 VAL 55 HG13 VAL 55 2.692 9.751 6.663 419 HG21 VAL 55 HG21 VAL 55 1.936 8.614 2.823 420 HG22 VAL 55 HG22 VAL 55 1.639 10.245 3.471 421 HG23 VAL 55 HG23 VAL 55 3.182 9.874 2.665 422 H SER 56 H SER 56 3.828 8.059 2.026 423 HA SER 56 HA SER 56 3.478 5.395 2.092 424 HB2 SER 56 HB2 SER 56 4.603 7.179 -0.100 425 HB3 SER 56 HB3 SER 56 4.258 5.484 -0.379 426 HG SER 56 HG SER 56 2.481 7.656 0.002 427 H LEU 57 H LEU 57 6.573 7.209 1.616 428 HA LEU 57 HA LEU 57 8.205 5.044 1.085 429 HB2 LEU 57 HB2 LEU 57 8.476 7.767 1.369 430 HB3 LEU 57 HB3 LEU 57 9.410 7.156 2.720 431 HG LEU 57 HG LEU 57 9.836 6.079 -0.063 432 HD11 LEU 57 HD11 LEU 57 9.983 8.648 0.071 433 HD12 LEU 57 HD12 LEU 57 11.454 8.370 1.035 434 HD13 LEU 57 HD13 LEU 57 11.353 7.754 -0.632 435 HD21 LEU 57 HD21 LEU 57 12.252 6.107 1.202 436 HD22 LEU 57 HD22 LEU 57 11.142 5.832 2.566 437 HD23 LEU 57 HD23 LEU 57 11.130 4.725 1.172 438 H PHE 58 H PHE 58 7.057 6.414 4.210 439 HA PHE 58 HA PHE 58 8.665 4.674 5.766 440 HB2 PHE 58 HB2 PHE 58 7.711 6.894 6.499 441 HB3 PHE 58 HB3 PHE 58 6.087 6.273 6.286 442 HD1 PHE 58 HD2 PHE 58 9.193 5.737 8.255 443 HD2 PHE 58 HD1 PHE 58 4.986 5.218 8.056 444 HE1 PHE 58 HE2 PHE 58 9.177 4.958 10.641 445 HE2 PHE 58 HE1 PHE 58 4.970 4.439 10.442 446 HZ PHE 58 HZ PHE 58 7.065 4.319 11.706 447 H THR 59 H THR 59 5.605 4.371 4.072 448 HA THR 59 HA THR 59 4.560 2.284 5.722 449 HB THR 59 HB THR 59 3.905 3.320 2.915 450 HG1 THR 59 HG1 THR 59 3.369 4.856 4.501 451 HG21 THR 59 HG21 THR 59 1.901 1.910 4.662 452 HG22 THR 59 HG22 THR 59 2.001 1.975 2.886 453 HG23 THR 59 HG23 THR 59 3.070 0.883 3.798 454 H ALA 60 H ALA 60 6.296 2.405 2.554 455 HA ALA 60 HA ALA 60 6.264 -0.408 2.258 456 HB1 ALA 60 HB1 ALA 60 6.485 1.252 0.405 457 HB2 ALA 60 HB2 ALA 60 8.102 1.678 1.017 458 HB3 ALA 60 HB3 ALA 60 7.786 0.037 0.402 459 H PHE 61 H PHE 61 8.530 1.987 3.689 460 HA PHE 61 HA PHE 61 10.689 0.271 4.018 461 HB2 PHE 61 HB2 PHE 61 10.412 2.854 4.318 462 HB3 PHE 61 HB3 PHE 61 9.706 2.507 5.884 463 HD1 PHE 61 HD2 PHE 61 12.788 1.777 3.910 464 HD2 PHE 61 HD1 PHE 61 11.087 2.459 7.737 465 HE1 PHE 61 HE2 PHE 61 15.079 1.740 4.935 466 HE2 PHE 61 HE1 PHE 61 13.378 2.422 8.762 467 HZ PHE 61 HZ PHE 61 15.347 2.064 7.349 468 H PHE 62 H PHE 62 7.989 1.120 6.296 469 HA PHE 62 HA PHE 62 8.888 -0.489 8.380 470 HB2 PHE 62 HB2 PHE 62 7.020 1.380 8.146 471 HB3 PHE 62 HB3 PHE 62 5.976 0.080 7.605 472 HD1 PHE 62 HD1 PHE 62 8.245 0.935 10.443 473 HD2 PHE 62 HD2 PHE 62 4.719 -1.058 9.176 474 HE1 PHE 62 HE1 PHE 62 7.702 0.378 12.830 475 HE2 PHE 62 HE2 PHE 62 4.176 -1.614 11.563 476 HZ PHE 62 HZ PHE 62 5.674 -0.890 13.361 477 H LEU 63 H LEU 63 6.552 -1.146 5.688 478 HA LEU 63 HA LEU 63 5.768 -3.660 6.520 479 HB2 LEU 63 HB2 LEU 63 5.336 -1.962 4.352 480 HB3 LEU 63 HB3 LEU 63 6.001 -3.416 3.635 481 HG LEU 63 HG LEU 63 4.248 -4.765 4.741 482 HD11 LEU 63 HD11 LEU 63 3.564 -3.733 6.668 483 HD12 LEU 63 HD12 LEU 63 3.530 -2.114 5.928 484 HD13 LEU 63 HD13 LEU 63 2.235 -3.283 5.573 485 HD21 LEU 63 HD21 LEU 63 2.735 -4.419 3.084 486 HD22 LEU 63 HD22 LEU 63 2.704 -2.654 3.319 487 HD23 LEU 63 HD23 LEU 63 4.058 -3.412 2.448 488 H ALA 64 H ALA 64 8.362 -2.816 4.113 489 HA ALA 64 HA ALA 64 9.309 -5.358 3.732 490 HB1 ALA 64 HB1 ALA 64 10.134 -2.624 3.236 491 HB2 ALA 64 HB2 ALA 64 11.540 -3.612 3.701 492 HB3 ALA 64 HB3 ALA 64 10.526 -4.101 2.322 493 H THR 65 H THR 65 10.321 -2.920 6.222 494 HA THR 65 HA THR 65 12.279 -4.472 7.428 495 HB THR 65 HB THR 65 10.411 -2.254 8.383 496 HG1 THR 65 HG1 THR 65 12.027 -1.529 6.962 497 HG21 THR 65 HG21 THR 65 12.248 -3.954 9.960 498 HG22 THR 65 HG22 THR 65 12.722 -2.239 9.979 499 HG23 THR 65 HG23 THR 65 11.097 -2.719 10.524 500 H ILE 66 H ILE 66 8.741 -4.642 7.655 501 HA ILE 66 HA ILE 66 8.817 -6.313 9.976 502 HB ILE 66 HB ILE 66 6.922 -4.774 8.623 503 HG12 ILE 66 HG12 ILE 66 5.434 -5.714 10.539 504 HG13 ILE 66 HG13 ILE 66 6.882 -6.559 11.049 505 HG21 ILE 66 HG21 ILE 66 5.035 -6.384 8.358 506 HG22 ILE 66 HG22 ILE 66 6.328 -6.569 7.149 507 HG23 ILE 66 HG23 ILE 66 6.208 -7.714 8.506 508 HD11 ILE 66 HD11 ILE 66 6.195 -3.845 11.560 509 HD12 ILE 66 HD12 ILE 66 7.718 -4.670 11.971 510 HD13 ILE 66 HD13 ILE 66 7.564 -3.806 10.422 511 H MET 67 H MET 67 8.953 -6.704 6.458 512 HA MET 67 HA MET 67 8.233 -9.423 6.485 513 HB2 MET 67 HB2 MET 67 8.714 -7.402 4.575 514 HB3 MET 67 HB3 MET 67 10.033 -8.521 4.298 515 HG2 MET 67 HG2 MET 67 8.455 -10.393 4.001 516 HG3 MET 67 HG3 MET 67 7.101 -9.372 4.445 517 HE1 MET 67 HE1 MET 67 9.994 -9.957 1.906 518 HE2 MET 67 HE2 MET 67 8.603 -11.031 1.619 519 HE3 MET 67 HE3 MET 67 9.050 -9.808 0.404 520 H GLY 68 H GLY 68 11.419 -7.699 6.164 521 HA2 GLY 68 HA2 GLY 68 13.283 -8.491 7.447 522 HA3 GLY 68 HA3 GLY 68 12.710 -10.133 7.232 523 H VAL 69 H VAL 69 12.274 -10.613 4.662 524 HA VAL 69 HA VAL 69 14.888 -10.272 3.492 525 HB VAL 69 HB VAL 69 13.738 -12.439 3.532 526 HG11 VAL 69 HG11 VAL 69 11.453 -11.058 2.938 527 HG12 VAL 69 HG12 VAL 69 11.858 -11.765 1.356 528 HG13 VAL 69 HG13 VAL 69 11.647 -12.819 2.774 529 HG21 VAL 69 HG21 VAL 69 13.914 -12.878 0.989 530 HG22 VAL 69 HG22 VAL 69 14.395 -11.168 0.873 531 HG23 VAL 69 HG23 VAL 69 15.362 -12.301 1.849 532 H ARG 70 H ARG 70 15.216 -8.220 2.701 533 HA ARG 70 HA ARG 70 13.287 -6.575 1.740 534 HB2 ARG 70 HB2 ARG 70 16.264 -6.800 1.416 535 HB3 ARG 70 HB3 ARG 70 15.449 -5.761 0.264 536 HG2 ARG 70 HG2 ARG 70 15.363 -4.127 1.830 537 HG3 ARG 70 HG3 ARG 70 14.305 -5.134 2.798 538 HD2 ARG 70 HD2 ARG 70 15.997 -5.771 4.235 539 HD3 ARG 70 HD3 ARG 70 17.191 -5.873 2.957 540 HE ARG 70 HE ARG 70 16.642 -3.140 3.185 541 HH11 ARG 70 HH22 ARG 70 17.786 -5.664 5.354 542 HH12 ARG 70 HH21 ARG 70 18.709 -4.577 6.338 543 HH21 ARG 70 HH12 ARG 70 17.859 -1.706 4.482 544 HH22 ARG 70 HH11 ARG 70 18.751 -2.311 5.839 545 H PHE 71 H PHE 71 12.903 -5.819 -0.570 546 HA PHE 71 HA PHE 71 11.879 -7.658 -2.183 547 HB2 PHE 71 HB2 PHE 71 11.641 -5.342 -2.766 548 HB3 PHE 71 HB3 PHE 71 13.360 -5.034 -2.613 549 HD1 PHE 71 HD2 PHE 71 10.915 -6.858 -4.752 550 HD2 PHE 71 HD1 PHE 71 14.681 -4.915 -4.522 551 HE1 PHE 71 HE2 PHE 71 11.173 -7.063 -7.240 552 HE2 PHE 71 HE1 PHE 71 14.938 -5.120 -7.010 553 HZ PHE 71 HZ PHE 71 13.181 -6.192 -8.340 554 H LYS 72 H LYS 72 12.486 -9.049 -3.878 555 HA LYS 72 HA LYS 72 15.099 -9.076 -4.934 556 HB2 LYS 72 HB2 LYS 72 15.066 -10.184 -2.432 557 HB3 LYS 72 HB3 LYS 72 14.753 -11.594 -3.425 558 HG2 LYS 72 HG2 LYS 72 16.963 -11.683 -3.919 559 HG3 LYS 72 HG3 LYS 72 16.794 -10.176 -4.797 560 HD2 LYS 72 HD2 LYS 72 18.516 -9.781 -3.175 561 HD3 LYS 72 HD3 LYS 72 17.099 -8.954 -2.560 562 HE2 LYS 72 HE2 LYS 72 16.763 -10.500 -0.833 563 HE3 LYS 72 HE3 LYS 72 17.500 -11.820 -1.720 564 HZ1 LYS 72 HZ1 LYS 72 18.821 -9.647 -0.290 565 HZ2 LYS 72 HZ2 LYS 72 19.062 -11.257 -0.156 566 HZ3 LYS 72 HZ3 LYS 72 19.615 -10.455 -1.467 567 H ARG 73 H ARG 73 14.788 -9.750 -6.983 568 HA ARG 73 HA ARG 73 12.392 -10.643 -7.876 569 HB2 ARG 73 HB2 ARG 73 15.217 -10.873 -8.976 570 HB3 ARG 73 HB3 ARG 73 13.877 -11.565 -9.868 571 HG2 ARG 73 HG2 ARG 73 13.372 -9.520 -10.699 572 HG3 ARG 73 HG3 ARG 73 13.045 -8.942 -9.077 573 HD2 ARG 73 HD2 ARG 73 14.828 -7.549 -9.342 574 HD3 ARG 73 HD3 ARG 73 15.846 -8.965 -9.168 575 HE ARG 73 HE ARG 73 16.359 -8.803 -11.435 576 HH11 ARG 73 HH22 ARG 73 13.275 -7.204 -10.873 577 HH12 ARG 73 HH21 ARG 73 13.120 -6.651 -12.507 578 HH21 ARG 73 HH12 ARG 73 16.155 -8.072 -13.590 579 HH22 ARG 73 HH11 ARG 73 14.769 -7.148 -14.063 580 H SER 74 H SER 74 11.312 -12.578 -7.642 581 HA SER 74 HA SER 74 12.668 -15.018 -7.930 582 HB2 SER 74 HB2 SER 74 12.699 -13.976 -5.300 583 HB3 SER 74 HB3 SER 74 11.428 -15.182 -5.283 584 HG SER 74 HG SER 74 12.922 -16.761 -6.055 585 H LYS 75 H LYS 75 10.927 -16.875 -7.051 586 HA LYS 75 HA LYS 75 8.730 -16.614 -8.691 587 HB2 LYS 75 HB2 LYS 75 9.562 -18.457 -6.498 588 HB3 LYS 75 HB3 LYS 75 7.878 -18.499 -6.980 589 HG2 LYS 75 HG2 LYS 75 8.478 -19.797 -8.739 590 HG3 LYS 75 HG3 LYS 75 9.300 -18.408 -9.423 591 HD2 LYS 75 HD2 LYS 75 10.805 -19.860 -7.284 592 HD3 LYS 75 HD3 LYS 75 10.555 -20.760 -8.767 593 HE2 LYS 75 HE2 LYS 75 11.486 -18.790 -10.065 594 HE3 LYS 75 HE3 LYS 75 11.830 -17.991 -8.544 595 HZ1 LYS 75 HZ1 LYS 75 13.769 -19.081 -9.073 596 HZ2 LYS 75 HZ2 LYS 75 13.087 -20.111 -8.005 597 HZ3 LYS 75 HZ3 LYS 75 13.026 -20.434 -9.605 598 H LYS 76 H LYS 76 6.347 -16.883 -7.775 599 HA LYS 76 HA LYS 76 4.619 -15.836 -6.886 600 HB2 LYS 76 HB2 LYS 76 6.537 -16.000 -4.601 601 HB3 LYS 76 HB3 LYS 76 5.115 -14.997 -4.396 602 HG2 LYS 76 HG2 LYS 76 4.049 -17.284 -5.582 603 HG3 LYS 76 HG3 LYS 76 5.327 -17.949 -4.584 604 HD2 LYS 76 HD2 LYS 76 4.122 -17.601 -2.693 605 HD3 LYS 76 HD3 LYS 76 3.913 -15.904 -3.076 606 HE2 LYS 76 HE2 LYS 76 1.867 -16.256 -4.185 607 HE3 LYS 76 HE3 LYS 76 2.248 -17.917 -4.593 608 HZ1 LYS 76 HZ1 LYS 76 0.954 -18.354 -2.859 609 HZ2 LYS 76 HZ2 LYS 76 2.248 -17.989 -1.933 610 HZ3 LYS 76 HZ3 LYS 76 1.093 -16.866 -2.201 611 H ILE 77 H ILE 77 3.989 -13.591 -5.624 612 HA ILE 77 HA ILE 77 5.714 -11.505 -6.744 613 HB ILE 77 HB ILE 77 3.920 -11.915 -8.330 614 HG12 ILE 77 HG12 ILE 77 2.889 -9.383 -7.356 615 HG13 ILE 77 HG13 ILE 77 4.631 -9.451 -7.177 616 HG21 ILE 77 HG21 ILE 77 1.654 -11.894 -7.853 617 HG22 ILE 77 HG22 ILE 77 2.336 -12.749 -6.449 618 HG23 ILE 77 HG23 ILE 77 1.876 -11.035 -6.310 619 HD11 ILE 77 HD11 ILE 77 3.317 -8.811 -9.520 620 HD12 ILE 77 HD12 ILE 77 4.993 -9.406 -9.433 621 HD13 ILE 77 HD13 ILE 77 3.662 -10.541 -9.762 622 H MET 78 H MET 78 5.168 -12.805 -4.012 623 HA MET 78 HA MET 78 3.642 -11.080 -2.496 624 HB2 MET 78 HB2 MET 78 5.255 -13.379 -2.121 625 HB3 MET 78 HB3 MET 78 6.029 -12.170 -1.115 626 HG2 MET 78 HG2 MET 78 3.050 -12.246 -0.905 627 HG3 MET 78 HG3 MET 78 3.863 -13.687 -0.328 628 HE1 MET 78 HE1 MET 78 3.303 -12.367 2.959 629 HE2 MET 78 HE2 MET 78 3.148 -13.616 1.700 630 HE3 MET 78 HE3 MET 78 4.663 -13.465 2.622 631 HA PRO 79 HA PRO 79 7.683 -8.711 -1.726 632 HB2 PRO 79 HB2 PRO 79 9.884 -9.232 -3.259 633 HB3 PRO 79 HB3 PRO 79 9.627 -9.944 -1.679 634 HG2 PRO 79 HG2 PRO 79 9.345 -11.195 -4.342 635 HG3 PRO 79 HG3 PRO 79 9.511 -11.968 -2.778 636 HD2 PRO 79 HD2 PRO 79 7.099 -11.682 -4.304 637 HD3 PRO 79 HD3 PRO 79 7.245 -12.350 -2.691 638 H ALA 80 H ALA 80 7.824 -9.525 -5.167 639 HA ALA 80 HA ALA 80 8.317 -6.977 -6.067 640 HB1 ALA 80 HB1 ALA 80 6.464 -8.597 -7.715 641 HB2 ALA 80 HB2 ALA 80 8.078 -7.955 -8.103 642 HB3 ALA 80 HB3 ALA 80 7.921 -9.461 -7.168 643 H GLY 81 H GLY 81 5.129 -8.612 -5.491 644 HA2 GLY 81 HA2 GLY 81 3.352 -6.790 -6.342 645 HA3 GLY 81 HA3 GLY 81 3.157 -7.694 -4.854 646 H LEU 82 H LEU 82 5.077 -6.652 -3.142 647 HA LEU 82 HA LEU 82 3.887 -4.398 -2.159 648 HB2 LEU 82 HB2 LEU 82 5.715 -6.081 -1.253 649 HB3 LEU 82 HB3 LEU 82 6.816 -4.814 -1.758 650 HG LEU 82 HG LEU 82 4.494 -3.983 -0.085 651 HD11 LEU 82 HD11 LEU 82 6.154 -4.588 1.918 652 HD12 LEU 82 HD12 LEU 82 4.884 -5.698 1.349 653 HD13 LEU 82 HD13 LEU 82 6.566 -5.921 0.812 654 HD21 LEU 82 HD21 LEU 82 6.027 -2.379 0.786 655 HD22 LEU 82 HD22 LEU 82 7.421 -3.234 0.083 656 HD23 LEU 82 HD23 LEU 82 6.245 -2.423 -0.980 657 H VAL 83 H VAL 83 6.808 -4.622 -4.295 658 HA VAL 83 HA VAL 83 7.263 -1.886 -4.445 659 HB VAL 83 HB VAL 83 7.831 -4.156 -6.356 660 HG11 VAL 83 HG11 VAL 83 7.862 -2.115 -7.649 661 HG12 VAL 83 HG12 VAL 83 8.843 -1.294 -6.411 662 HG13 VAL 83 HG13 VAL 83 9.539 -2.632 -7.356 663 HG21 VAL 83 HG21 VAL 83 8.832 -3.912 -3.909 664 HG22 VAL 83 HG22 VAL 83 9.836 -4.451 -5.276 665 HG23 VAL 83 HG23 VAL 83 9.918 -2.761 -4.723 666 H ALA 84 H ALA 84 4.965 -4.029 -6.139 667 HA ALA 84 HA ALA 84 4.283 -2.164 -8.150 668 HB1 ALA 84 HB1 ALA 84 3.417 -4.809 -7.166 669 HB2 ALA 84 HB2 ALA 84 2.096 -3.824 -7.839 670 HB3 ALA 84 HB3 ALA 84 3.528 -4.188 -8.831 671 H GLY 85 H GLY 85 3.351 -2.667 -4.763 672 HA2 GLY 85 HA2 GLY 85 0.942 -1.147 -4.862 673 HA3 GLY 85 HA3 GLY 85 1.842 -1.634 -3.439 674 H LEU 86 H LEU 86 4.297 -0.453 -3.624 675 HA LEU 86 HA LEU 86 3.795 2.169 -2.899 676 HB2 LEU 86 HB2 LEU 86 5.734 0.805 -2.230 677 HB3 LEU 86 HB3 LEU 86 6.375 0.923 -3.857 678 HG LEU 86 HG LEU 86 7.526 2.465 -2.399 679 HD11 LEU 86 HD11 LEU 86 6.659 3.072 -4.847 680 HD12 LEU 86 HD12 LEU 86 5.843 4.372 -3.947 681 HD13 LEU 86 HD13 LEU 86 7.613 4.203 -3.859 682 HD21 LEU 86 HD21 LEU 86 4.856 3.791 -1.859 683 HD22 LEU 86 HD22 LEU 86 5.716 2.721 -0.726 684 HD23 LEU 86 HD23 LEU 86 6.445 4.269 -1.216 685 H SER 87 H SER 87 4.896 0.765 -6.040 686 HA SER 87 HA SER 87 5.341 3.164 -7.303 687 HB2 SER 87 HB2 SER 87 5.373 0.430 -7.976 688 HB3 SER 87 HB3 SER 87 4.197 1.120 -9.078 689 HG SER 87 HG SER 87 5.761 2.604 -9.842 690 H LEU 88 H LEU 88 2.373 1.056 -7.307 691 HA LEU 88 HA LEU 88 0.780 2.610 -8.893 692 HB2 LEU 88 HB2 LEU 88 0.493 0.432 -7.048 693 HB3 LEU 88 HB3 LEU 88 -0.832 1.557 -6.819 694 HG LEU 88 HG LEU 88 -1.454 -0.177 -8.390 695 HD11 LEU 88 HD11 LEU 88 -2.723 1.329 -9.404 696 HD12 LEU 88 HD12 LEU 88 -1.596 2.614 -8.907 697 HD13 LEU 88 HD13 LEU 88 -1.368 1.784 -10.465 698 HD21 LEU 88 HD21 LEU 88 0.223 -1.092 -9.559 699 HD22 LEU 88 HD22 LEU 88 -0.109 0.198 -10.740 700 HD23 LEU 88 HD23 LEU 88 1.190 0.402 -9.540 701 H MET 89 H MET 89 1.608 2.999 -5.422 702 HA MET 89 HA MET 89 -0.278 4.949 -4.878 703 HB2 MET 89 HB2 MET 89 1.986 3.674 -3.610 704 HB3 MET 89 HB3 MET 89 2.201 5.401 -3.410 705 HG2 MET 89 HG2 MET 89 0.857 4.991 -1.560 706 HG3 MET 89 HG3 MET 89 -0.400 5.310 -2.738 707 HE1 MET 89 HE1 MET 89 -1.093 2.527 -4.422 708 HE2 MET 89 HE2 MET 89 -2.338 2.354 -3.161 709 HE3 MET 89 HE3 MET 89 -1.835 3.974 -3.699 710 H MET 90 H MET 90 3.233 5.275 -5.776 711 HA MET 90 HA MET 90 3.388 7.974 -5.731 712 HB2 MET 90 HB2 MET 90 4.991 5.840 -6.535 713 HB3 MET 90 HB3 MET 90 4.728 6.657 -8.062 714 HG2 MET 90 HG2 MET 90 5.746 8.676 -7.308 715 HG3 MET 90 HG3 MET 90 5.544 8.262 -5.617 716 HE1 MET 90 HE1 MET 90 7.569 8.809 -8.250 717 HE2 MET 90 HE2 MET 90 9.153 8.097 -7.864 718 HE3 MET 90 HE3 MET 90 8.002 7.206 -8.888 719 H ILE 91 H ILE 91 2.487 5.898 -8.578 720 HA ILE 91 HA ILE 91 2.103 7.917 -10.397 721 HB ILE 91 HB ILE 91 0.754 5.242 -10.067 722 HG12 ILE 91 HG12 ILE 91 2.767 5.911 -12.181 723 HG13 ILE 91 HG13 ILE 91 3.334 5.647 -10.544 724 HG21 ILE 91 HG21 ILE 91 0.552 7.232 -12.336 725 HG22 ILE 91 HG22 ILE 91 0.168 5.502 -12.503 726 HG23 ILE 91 HG23 ILE 91 -0.765 6.516 -11.377 727 HD11 ILE 91 HD11 ILE 91 3.110 3.601 -12.207 728 HD12 ILE 91 HD12 ILE 91 2.632 3.407 -10.503 729 HD13 ILE 91 HD13 ILE 91 1.390 3.670 -11.752 730 H LEU 92 H LEU 92 -0.319 6.453 -8.124 731 HA LEU 92 HA LEU 92 -2.445 8.051 -8.871 732 HB2 LEU 92 HB2 LEU 92 -1.825 6.124 -6.884 733 HB3 LEU 92 HB3 LEU 92 -2.529 7.503 -6.063 734 HG LEU 92 HG LEU 92 -4.449 7.382 -7.719 735 HD11 LEU 92 HD11 LEU 92 -2.813 5.109 -8.666 736 HD12 LEU 92 HD12 LEU 92 -4.558 4.794 -8.507 737 HD13 LEU 92 HD13 LEU 92 -3.985 6.132 -9.532 738 HD21 LEU 92 HD21 LEU 92 -4.608 6.593 -5.397 739 HD22 LEU 92 HD22 LEU 92 -5.591 5.609 -6.508 740 HD23 LEU 92 HD23 LEU 92 -4.035 4.987 -5.908 741 H ARG 93 H ARG 93 0.419 8.753 -6.907 742 HA ARG 93 HA ARG 93 -0.696 11.058 -5.738 743 HB2 ARG 93 HB2 ARG 93 1.360 9.605 -4.979 744 HB3 ARG 93 HB3 ARG 93 2.284 10.557 -6.125 745 HG2 ARG 93 HG2 ARG 93 0.552 12.191 -4.349 746 HG3 ARG 93 HG3 ARG 93 1.773 11.276 -3.488 747 HD2 ARG 93 HD2 ARG 93 2.366 13.075 -5.888 748 HD3 ARG 93 HD3 ARG 93 2.545 13.577 -4.219 749 HE ARG 93 HE ARG 93 4.030 11.249 -4.312 750 HH11 ARG 93 HH22 ARG 93 4.015 14.185 -6.251 751 HH12 ARG 93 HH21 ARG 93 5.699 14.085 -6.646 752 HH21 ARG 93 HH12 ARG 93 6.251 11.117 -4.833 753 HH22 ARG 93 HH11 ARG 93 6.979 12.328 -5.834 754 H LEU 94 H LEU 94 1.081 10.273 -8.725 755 HA LEU 94 HA LEU 94 1.996 12.804 -9.390 756 HB2 LEU 94 HB2 LEU 94 1.983 10.252 -10.495 757 HB3 LEU 94 HB3 LEU 94 1.112 11.223 -11.665 758 HG LEU 94 HG LEU 94 3.905 11.763 -10.621 759 HD11 LEU 94 HD11 LEU 94 4.189 11.450 -13.285 760 HD12 LEU 94 HD12 LEU 94 4.365 10.128 -12.106 761 HD13 LEU 94 HD13 LEU 94 2.832 10.338 -12.986 762 HD21 LEU 94 HD21 LEU 94 1.991 13.462 -12.080 763 HD22 LEU 94 HD22 LEU 94 3.426 13.896 -11.120 764 HD23 LEU 94 HD23 LEU 94 3.613 13.364 -12.808 765 H VAL 95 H VAL 95 -1.227 11.283 -9.684 766 HA VAL 95 HA VAL 95 -2.220 13.578 -11.148 767 HB VAL 95 HB VAL 95 -3.520 11.032 -10.162 768 HG11 VAL 95 HG11 VAL 95 -4.831 12.639 -12.280 769 HG12 VAL 95 HG12 VAL 95 -5.537 11.714 -10.933 770 HG13 VAL 95 HG13 VAL 95 -4.869 13.338 -10.644 771 HG21 VAL 95 HG21 VAL 95 -2.394 10.160 -11.903 772 HG22 VAL 95 HG22 VAL 95 -3.591 11.006 -12.913 773 HG23 VAL 95 HG23 VAL 95 -2.013 11.760 -12.582 774 H LEU 96 H LEU 96 -2.339 12.082 -7.888 775 HA LEU 96 HA LEU 96 -4.369 13.518 -6.767 776 HB2 LEU 96 HB2 LEU 96 -2.739 11.665 -5.876 777 HB3 LEU 96 HB3 LEU 96 -1.839 13.030 -5.245 778 HG LEU 96 HG LEU 96 -4.777 12.623 -4.659 779 HD11 LEU 96 HD11 LEU 96 -2.403 11.602 -3.076 780 HD12 LEU 96 HD12 LEU 96 -4.087 11.637 -2.499 781 HD13 LEU 96 HD13 LEU 96 -3.645 10.626 -3.897 782 HD21 LEU 96 HD21 LEU 96 -3.118 13.960 -2.664 783 HD22 LEU 96 HD22 LEU 96 -3.115 14.794 -4.236 784 HD23 LEU 96 HD23 LEU 96 -4.655 14.463 -3.408 785 H LEU 97 H LEU 97 -0.953 14.517 -7.341 786 HA LEU 97 HA LEU 97 -0.815 16.820 -5.964 787 HB2 LEU 97 HB2 LEU 97 0.765 15.619 -7.700 788 HB3 LEU 97 HB3 LEU 97 0.112 16.813 -8.804 789 HG LEU 97 HG LEU 97 0.821 18.331 -6.590 790 HD11 LEU 97 HD11 LEU 97 2.883 17.683 -5.754 791 HD12 LEU 97 HD12 LEU 97 1.996 16.142 -5.843 792 HD13 LEU 97 HD13 LEU 97 3.192 16.554 -7.095 793 HD21 LEU 97 HD21 LEU 97 1.104 18.981 -8.915 794 HD22 LEU 97 HD22 LEU 97 2.635 19.164 -8.026 795 HD23 LEU 97 HD23 LEU 97 2.400 17.777 -9.117 796 H LEU 98 H LEU 98 -2.346 16.412 -9.227 797 HA LEU 98 HA LEU 98 -3.177 19.094 -9.383 798 HB2 LEU 98 HB2 LEU 98 -2.860 17.514 -11.277 799 HB3 LEU 98 HB3 LEU 98 -4.305 16.661 -10.772 800 HG LEU 98 HG LEU 98 -4.378 19.605 -11.431 801 HD11 LEU 98 HD11 LEU 98 -4.077 19.258 -13.598 802 HD12 LEU 98 HD12 LEU 98 -3.684 17.555 -13.258 803 HD13 LEU 98 HD13 LEU 98 -5.364 18.028 -13.612 804 HD21 LEU 98 HD21 LEU 98 -6.461 19.322 -10.688 805 HD22 LEU 98 HD22 LEU 98 -6.756 18.419 -12.193 806 HD23 LEU 98 HD23 LEU 98 -6.320 17.548 -10.704 807 H LEU 99 H LEU 99 -5.008 16.053 -8.596 808 HA LEU 99 HA LEU 99 -7.431 17.077 -8.073 809 HB2 LEU 99 HB2 LEU 99 -6.820 14.715 -7.967 810 HB3 LEU 99 HB3 LEU 99 -5.959 14.986 -6.464 811 HG LEU 99 HG LEU 99 -8.365 15.917 -5.716 812 HD11 LEU 99 HD11 LEU 99 -8.867 14.226 -8.118 813 HD12 LEU 99 HD12 LEU 99 -9.949 14.026 -6.718 814 HD13 LEU 99 HD13 LEU 99 -9.768 15.624 -7.482 815 HD21 LEU 99 HD21 LEU 99 -8.426 13.022 -5.541 816 HD22 LEU 99 HD22 LEU 99 -6.798 13.662 -5.211 817 HD23 LEU 99 HD23 LEU 99 -8.191 14.242 -4.266 Start of MODEL 2 1 H MET 1 H1 MET 1 -23.420 -17.343 -15.205 2 HA MET 1 HA MET 1 -25.230 -15.882 -15.564 3 HB2 MET 1 HB2 MET 1 -22.986 -13.906 -15.253 4 HB3 MET 1 HB3 MET 1 -24.200 -13.467 -16.438 5 HG2 MET 1 HG2 MET 1 -25.382 -12.640 -14.665 6 HG3 MET 1 HG3 MET 1 -25.787 -14.311 -14.323 7 HE1 MET 1 HE1 MET 1 -24.636 -11.927 -11.209 8 HE2 MET 1 HE2 MET 1 -25.770 -11.894 -12.581 9 HE3 MET 1 HE3 MET 1 -25.870 -13.200 -11.376 10 H ASP 2 H ASP 2 -26.074 -16.125 -17.610 11 HA ASP 2 HA ASP 2 -24.257 -15.785 -19.831 12 HB2 ASP 2 HB2 ASP 2 -24.806 -18.322 -18.871 13 HB3 ASP 2 HB3 ASP 2 -26.085 -18.131 -20.054 14 H LEU 3 H LEU 3 -25.466 -15.386 -21.877 15 HA LEU 3 HA LEU 3 -27.060 -14.205 -22.905 16 HB2 LEU 3 HB2 LEU 3 -28.038 -16.842 -22.168 17 HB3 LEU 3 HB3 LEU 3 -29.351 -15.708 -22.420 18 HG LEU 3 HG LEU 3 -28.854 -16.930 -24.459 19 HD11 LEU 3 HD11 LEU 3 -28.709 -14.022 -24.247 20 HD12 LEU 3 HD12 LEU 3 -27.955 -14.646 -25.734 21 HD13 LEU 3 HD13 LEU 3 -29.646 -15.051 -25.357 22 HD21 LEU 3 HD21 LEU 3 -26.698 -16.586 -25.651 23 HD22 LEU 3 HD22 LEU 3 -26.064 -15.781 -24.196 24 HD23 LEU 3 HD23 LEU 3 -26.541 -17.495 -24.129 25 H ILE 4 H ILE 4 -26.660 -12.509 -21.118 26 HA ILE 4 HA ILE 4 -29.263 -11.731 -20.164 27 HB ILE 4 HB ILE 4 -28.401 -13.201 -18.376 28 HG12 ILE 4 HG12 ILE 4 -28.479 -10.343 -17.406 29 HG13 ILE 4 HG13 ILE 4 -29.902 -11.130 -18.059 30 HG21 ILE 4 HG21 ILE 4 -26.374 -13.030 -17.436 31 HG22 ILE 4 HG22 ILE 4 -25.949 -12.123 -18.907 32 HG23 ILE 4 HG23 ILE 4 -26.413 -11.250 -17.427 33 HD11 ILE 4 HD11 ILE 4 -28.231 -12.142 -15.711 34 HD12 ILE 4 HD12 ILE 4 -29.837 -11.380 -15.606 35 HD13 ILE 4 HD13 ILE 4 -29.655 -12.970 -16.385 36 H GLY 5 H GLY 5 -29.492 -9.548 -20.366 37 HA2 GLY 5 HA2 GLY 5 -27.883 -7.950 -21.778 38 HA3 GLY 5 HA3 GLY 5 -28.899 -7.359 -20.478 39 H PHE 6 H PHE 6 -25.758 -7.392 -21.639 40 HA PHE 6 HA PHE 6 -24.219 -7.825 -19.368 41 HB2 PHE 6 HB2 PHE 6 -23.684 -7.437 -21.940 42 HB3 PHE 6 HB3 PHE 6 -23.725 -5.729 -21.550 43 HD1 PHE 6 HD2 PHE 6 -21.924 -8.885 -20.988 44 HD2 PHE 6 HD1 PHE 6 -21.932 -4.691 -20.339 45 HE1 PHE 6 HE2 PHE 6 -19.521 -8.991 -20.273 46 HE2 PHE 6 HE1 PHE 6 -19.528 -4.797 -19.625 47 HZ PHE 6 HZ PHE 6 -18.351 -6.946 -19.600 48 H GLY 7 H GLY 7 -25.400 -4.690 -20.793 49 HA2 GLY 7 HA2 GLY 7 -24.439 -2.851 -19.123 50 HA3 GLY 7 HA3 GLY 7 -26.091 -2.815 -19.706 51 H TYR 8 H TYR 8 -27.452 -4.771 -18.405 52 HA TYR 8 HA TYR 8 -28.018 -3.738 -15.951 53 HB2 TYR 8 HB2 TYR 8 -28.363 -6.253 -17.527 54 HB3 TYR 8 HB3 TYR 8 -28.453 -6.543 -15.801 55 HD1 TYR 8 HD2 TYR 8 -29.717 -3.817 -18.065 56 HD2 TYR 8 HD1 TYR 8 -30.639 -6.729 -15.069 57 HE1 TYR 8 HE2 TYR 8 -32.141 -3.050 -18.056 58 HE2 TYR 8 HE1 TYR 8 -33.060 -5.952 -15.070 59 HH TYR 8 HH TYR 8 -34.026 -3.065 -16.479 60 H ALA 9 H ALA 9 -25.820 -6.535 -16.683 61 HA ALA 9 HA ALA 9 -25.167 -7.102 -14.048 62 HB1 ALA 9 HB1 ALA 9 -23.816 -8.652 -15.016 63 HB2 ALA 9 HB2 ALA 9 -24.607 -8.139 -16.526 64 HB3 ALA 9 HB3 ALA 9 -23.029 -7.453 -16.070 65 H ALA 10 H ALA 10 -23.975 -4.618 -16.323 66 HA ALA 10 HA ALA 10 -21.722 -3.909 -14.753 67 HB1 ALA 10 HB1 ALA 10 -22.418 -1.705 -16.315 68 HB2 ALA 10 HB2 ALA 10 -21.332 -3.031 -16.794 69 HB3 ALA 10 HB3 ALA 10 -23.055 -3.090 -17.234 70 H LEU 11 H LEU 11 -25.180 -3.114 -14.753 71 HA LEU 11 HA LEU 11 -24.932 -0.744 -13.231 72 HB2 LEU 11 HB2 LEU 11 -27.046 -2.446 -14.313 73 HB3 LEU 11 HB3 LEU 11 -27.456 -1.760 -12.753 74 HG LEU 11 HG LEU 11 -26.385 0.006 -14.943 75 HD11 LEU 11 HD11 LEU 11 -28.489 -1.554 -15.527 76 HD12 LEU 11 HD12 LEU 11 -29.335 -0.232 -14.688 77 HD13 LEU 11 HD13 LEU 11 -28.321 0.120 -16.109 78 HD21 LEU 11 HD21 LEU 11 -26.487 1.164 -12.923 79 HD22 LEU 11 HD22 LEU 11 -28.005 1.608 -13.740 80 HD23 LEU 11 HD23 LEU 11 -28.017 0.392 -12.440 81 H VAL 12 H VAL 12 -25.738 -4.181 -12.393 82 HA VAL 12 HA VAL 12 -25.918 -3.680 -9.636 83 HB VAL 12 HB VAL 12 -25.404 -6.178 -11.256 84 HG11 VAL 12 HG11 VAL 12 -24.571 -6.273 -8.846 85 HG12 VAL 12 HG12 VAL 12 -26.275 -6.106 -8.357 86 HG13 VAL 12 HG13 VAL 12 -25.760 -7.507 -9.327 87 HG21 VAL 12 HG21 VAL 12 -27.691 -4.620 -11.007 88 HG22 VAL 12 HG22 VAL 12 -27.621 -6.316 -11.543 89 HG23 VAL 12 HG23 VAL 12 -27.948 -5.935 -9.835 90 H THR 13 H THR 13 -23.282 -5.255 -11.591 91 HA THR 13 HA THR 13 -21.431 -5.572 -9.630 92 HB THR 13 HB THR 13 -21.223 -4.828 -12.583 93 HG1 THR 13 HG1 THR 13 -22.085 -6.930 -11.853 94 HG21 THR 13 HG21 THR 13 -19.042 -5.487 -10.557 95 HG22 THR 13 HG22 THR 13 -18.871 -5.935 -12.271 96 HG23 THR 13 HG23 THR 13 -19.032 -4.223 -11.810 97 H PHE 14 H PHE 14 -21.662 -2.607 -11.717 98 HA PHE 14 HA PHE 14 -19.752 -1.171 -10.362 99 HB2 PHE 14 HB2 PHE 14 -20.796 -0.532 -12.530 100 HB3 PHE 14 HB3 PHE 14 -22.373 -0.408 -11.776 101 HD1 PHE 14 HD2 PHE 14 -22.754 1.436 -10.075 102 HD2 PHE 14 HD1 PHE 14 -19.341 1.318 -12.595 103 HE1 PHE 14 HE2 PHE 14 -22.362 3.879 -9.657 104 HE2 PHE 14 HE1 PHE 14 -18.949 3.762 -12.177 105 HZ PHE 14 HZ PHE 14 -20.464 5.013 -10.713 106 H GLY 15 H GLY 15 -23.337 -1.287 -9.810 107 HA2 GLY 15 HA2 GLY 15 -23.522 0.607 -7.809 108 HA3 GLY 15 HA3 GLY 15 -24.567 -0.788 -7.996 109 H SER 16 H SER 16 -23.839 -2.902 -7.034 110 HA SER 16 HA SER 16 -23.377 -2.787 -4.445 111 HB2 SER 16 HB2 SER 16 -23.314 -4.808 -6.443 112 HB3 SER 16 HB3 SER 16 -21.856 -5.043 -5.499 113 HG SER 16 HG SER 16 -24.285 -4.574 -4.077 114 H ILE 17 H ILE 17 -20.794 -2.996 -6.984 115 HA ILE 17 HA ILE 17 -18.596 -3.177 -5.389 116 HB ILE 17 HB ILE 17 -19.135 -1.912 -8.045 117 HG12 ILE 17 HG12 ILE 17 -17.329 -4.216 -7.267 118 HG13 ILE 17 HG13 ILE 17 -19.022 -4.412 -7.677 119 HG21 ILE 17 HG21 ILE 17 -16.394 -1.982 -7.926 120 HG22 ILE 17 HG22 ILE 17 -17.403 -0.523 -7.783 121 HG23 ILE 17 HG23 ILE 17 -16.830 -1.356 -6.318 122 HD11 ILE 17 HD11 ILE 17 -17.028 -3.023 -9.518 123 HD12 ILE 17 HD12 ILE 17 -17.403 -4.760 -9.612 124 HD13 ILE 17 HD13 ILE 17 -18.678 -3.557 -9.918 125 H PHE 18 H PHE 18 -20.204 -0.117 -6.510 126 HA PHE 18 HA PHE 18 -18.557 1.592 -5.086 127 HB2 PHE 18 HB2 PHE 18 -20.216 2.178 -6.900 128 HB3 PHE 18 HB3 PHE 18 -21.538 1.724 -5.843 129 HD1 PHE 18 HD2 PHE 18 -18.732 4.137 -6.165 130 HD2 PHE 18 HD1 PHE 18 -22.506 3.303 -4.414 131 HE1 PHE 18 HE2 PHE 18 -18.853 6.492 -5.306 132 HE2 PHE 18 HE1 PHE 18 -22.627 5.658 -3.554 133 HZ PHE 18 HZ PHE 18 -20.800 7.224 -4.011 134 H GLY 19 H GLY 19 -21.317 -0.398 -4.059 135 HA2 GLY 19 HA2 GLY 19 -21.823 1.012 -1.628 136 HA3 GLY 19 HA3 GLY 19 -22.402 -0.577 -2.084 137 H TYR 20 H TYR 20 -19.547 -1.504 -2.697 138 HA TYR 20 HA TYR 20 -17.922 -1.260 -0.471 139 HB2 TYR 20 HB2 TYR 20 -18.522 -3.553 0.555 140 HB3 TYR 20 HB3 TYR 20 -19.757 -2.332 0.787 141 HD1 TYR 20 HD2 TYR 20 -21.880 -2.430 -0.466 142 HD2 TYR 20 HD1 TYR 20 -18.901 -5.470 -0.895 143 HE1 TYR 20 HE2 TYR 20 -23.592 -3.965 -1.551 144 HE2 TYR 20 HE1 TYR 20 -20.623 -6.995 -1.979 145 HH TYR 20 HH TYR 20 -23.871 -6.475 -1.774 146 H LYS 21 H LYS 21 -19.305 -3.729 -2.743 147 HA LYS 21 HA LYS 21 -17.059 -3.888 -4.323 148 HB2 LYS 21 HB2 LYS 21 -16.421 -4.983 -1.875 149 HB3 LYS 21 HB3 LYS 21 -16.906 -6.395 -2.791 150 HG2 LYS 21 HG2 LYS 21 -14.564 -6.131 -3.225 151 HG3 LYS 21 HG3 LYS 21 -15.370 -5.573 -4.678 152 HD2 LYS 21 HD2 LYS 21 -15.257 -3.193 -3.623 153 HD3 LYS 21 HD3 LYS 21 -14.131 -3.882 -2.470 154 HE2 LYS 21 HE2 LYS 21 -12.519 -4.396 -4.161 155 HE3 LYS 21 HE3 LYS 21 -13.695 -4.262 -5.453 156 HZ1 LYS 21 HZ1 LYS 21 -12.796 -2.241 -5.624 157 HZ2 LYS 21 HZ2 LYS 21 -13.823 -1.841 -4.418 158 HZ3 LYS 21 HZ3 LYS 21 -12.262 -2.186 -4.081 159 H ARG 22 H ARG 22 -17.233 -6.878 -4.663 160 HA ARG 22 HA ARG 22 -19.955 -6.905 -5.698 161 HB2 ARG 22 HB2 ARG 22 -18.295 -6.787 -7.528 162 HB3 ARG 22 HB3 ARG 22 -17.416 -8.151 -6.866 163 HG2 ARG 22 HG2 ARG 22 -19.557 -9.540 -7.155 164 HG3 ARG 22 HG3 ARG 22 -20.235 -8.183 -8.033 165 HD2 ARG 22 HD2 ARG 22 -19.334 -9.409 -9.806 166 HD3 ARG 22 HD3 ARG 22 -17.985 -8.347 -9.454 167 HE ARG 22 HE ARG 22 -16.768 -10.178 -8.617 168 HH11 ARG 22 HH22 ARG 22 -20.145 -11.079 -9.018 169 HH12 ARG 22 HH21 ARG 22 -19.861 -12.765 -8.738 170 HH21 ARG 22 HH12 ARG 22 -16.392 -12.401 -8.247 171 HH22 ARG 22 HH11 ARG 22 -17.712 -13.522 -8.296 172 H ARG 23 H ARG 23 -17.183 -8.848 -4.419 173 HA ARG 23 HA ARG 23 -19.161 -10.672 -3.342 174 HB2 ARG 23 HB2 ARG 23 -18.057 -11.628 -5.449 175 HB3 ARG 23 HB3 ARG 23 -16.527 -11.591 -4.596 176 HG2 ARG 23 HG2 ARG 23 -18.890 -12.965 -3.297 177 HG3 ARG 23 HG3 ARG 23 -18.034 -13.790 -4.584 178 HD2 ARG 23 HD2 ARG 23 -15.857 -13.267 -3.259 179 HD3 ARG 23 HD3 ARG 23 -16.903 -12.827 -1.923 180 HE ARG 23 HE ARG 23 -17.476 -15.096 -1.624 181 HH11 ARG 23 HH22 ARG 23 -15.727 -14.680 -4.649 182 HH12 ARG 23 HH21 ARG 23 -15.512 -16.379 -4.906 183 HH21 ARG 23 HH12 ARG 23 -17.192 -17.338 -1.963 184 HH22 ARG 23 HH11 ARG 23 -16.351 -17.901 -3.368 185 H GLY 24 H GLY 24 -15.720 -9.543 -3.408 186 HA2 GLY 24 HA2 GLY 24 -15.569 -9.049 -0.664 187 HA3 GLY 24 HA3 GLY 24 -14.951 -10.665 -0.940 188 H GLY 25 H GLY 25 -12.774 -10.097 -0.411 189 HA2 GLY 25 HA2 GLY 25 -11.228 -9.151 -2.603 190 HA3 GLY 25 HA3 GLY 25 -11.353 -7.925 -1.358 191 H VAL 26 H VAL 26 -9.204 -10.038 -2.411 192 HA VAL 26 HA VAL 26 -8.576 -11.838 -0.473 193 HB VAL 26 HB VAL 26 -6.271 -11.621 -1.260 194 HG11 VAL 26 HG11 VAL 26 -6.666 -12.431 -3.397 195 HG12 VAL 26 HG12 VAL 26 -8.255 -12.653 -2.625 196 HG13 VAL 26 HG13 VAL 26 -7.979 -11.270 -3.712 197 HG21 VAL 26 HG21 VAL 26 -5.513 -9.578 -1.772 198 HG22 VAL 26 HG22 VAL 26 -6.369 -9.749 -3.323 199 HG23 VAL 26 HG23 VAL 26 -7.160 -8.929 -1.956 200 HA PRO 27 HA PRO 27 -7.494 -9.524 3.015 201 HB2 PRO 27 HB2 PRO 27 -5.989 -11.342 4.392 202 HB3 PRO 27 HB3 PRO 27 -7.741 -11.354 4.391 203 HG2 PRO 27 HG2 PRO 27 -5.874 -13.150 2.967 204 HG3 PRO 27 HG3 PRO 27 -7.573 -13.391 3.323 205 HD2 PRO 27 HD2 PRO 27 -6.437 -12.650 0.795 206 HD3 PRO 27 HD3 PRO 27 -8.142 -12.778 1.181 207 H SER 28 H SER 28 -5.489 -9.017 4.549 208 HA SER 28 HA SER 28 -3.464 -8.220 4.707 209 HB2 SER 28 HB2 SER 28 -2.795 -10.276 3.300 210 HB3 SER 28 HB3 SER 28 -2.796 -9.212 1.908 211 HG SER 28 HG SER 28 -1.334 -7.837 3.516 212 H LEU 29 H LEU 29 -4.207 -7.956 1.145 213 HA LEU 29 HA LEU 29 -3.215 -5.506 0.664 214 HB2 LEU 29 HB2 LEU 29 -4.195 -7.012 -0.993 215 HB3 LEU 29 HB3 LEU 29 -5.801 -6.660 -0.388 216 HG LEU 29 HG LEU 29 -4.968 -4.144 -0.954 217 HD11 LEU 29 HD11 LEU 29 -2.801 -4.863 -1.811 218 HD12 LEU 29 HD12 LEU 29 -3.604 -5.912 -3.004 219 HD13 LEU 29 HD13 LEU 29 -3.791 -4.144 -3.104 220 HD21 LEU 29 HD21 LEU 29 -6.894 -4.362 -2.036 221 HD22 LEU 29 HD22 LEU 29 -5.994 -5.077 -3.395 222 HD23 LEU 29 HD23 LEU 29 -6.698 -6.128 -2.143 223 H ILE 30 H ILE 30 -6.482 -6.232 2.050 224 HA ILE 30 HA ILE 30 -7.434 -3.676 2.202 225 HB ILE 30 HB ILE 30 -7.798 -6.028 4.054 226 HG12 ILE 30 HG12 ILE 30 -9.939 -5.110 2.219 227 HG13 ILE 30 HG13 ILE 30 -8.525 -5.798 1.445 228 HG21 ILE 30 HG21 ILE 30 -10.037 -4.288 4.156 229 HG22 ILE 30 HG22 ILE 30 -8.923 -4.745 5.467 230 HG23 ILE 30 HG23 ILE 30 -8.584 -3.309 4.471 231 HD11 ILE 30 HD11 ILE 30 -9.703 -7.752 1.835 232 HD12 ILE 30 HD12 ILE 30 -8.829 -7.654 3.382 233 HD13 ILE 30 HD13 ILE 30 -10.516 -7.098 3.277 234 H ALA 31 H ALA 31 -5.394 -5.431 4.635 235 HA ALA 31 HA ALA 31 -5.241 -3.356 6.462 236 HB1 ALA 31 HB1 ALA 31 -4.227 -5.077 7.492 237 HB2 ALA 31 HB2 ALA 31 -3.997 -5.926 5.944 238 HB3 ALA 31 HB3 ALA 31 -2.781 -4.753 6.506 239 H GLY 32 H GLY 32 -3.504 -3.958 3.398 240 HA2 GLY 32 HA2 GLY 32 -1.460 -2.029 3.806 241 HA3 GLY 32 HA3 GLY 32 -1.950 -2.760 2.290 242 H LEU 33 H LEU 33 -4.838 -1.922 2.647 243 HA LEU 33 HA LEU 33 -4.551 0.644 1.435 244 HB2 LEU 33 HB2 LEU 33 -6.172 -1.046 0.694 245 HB3 LEU 33 HB3 LEU 33 -7.009 -0.923 2.229 246 HG LEU 33 HG LEU 33 -6.983 1.701 1.377 247 HD11 LEU 33 HD11 LEU 33 -6.233 0.321 -0.885 248 HD12 LEU 33 HD12 LEU 33 -7.995 0.484 -1.086 249 HD13 LEU 33 HD13 LEU 33 -6.989 1.932 -0.843 250 HD21 LEU 33 HD21 LEU 33 -8.839 0.351 2.388 251 HD22 LEU 33 HD22 LEU 33 -9.336 1.447 1.077 252 HD23 LEU 33 HD23 LEU 33 -9.172 -0.297 0.763 253 H PHE 34 H PHE 34 -5.782 -0.646 4.573 254 HA PHE 34 HA PHE 34 -6.704 1.792 5.551 255 HB2 PHE 34 HB2 PHE 34 -6.746 -0.822 6.318 256 HB3 PHE 34 HB3 PHE 34 -5.371 -0.325 7.285 257 HD1 PHE 34 HD1 PHE 34 -8.672 1.241 6.476 258 HD2 PHE 34 HD2 PHE 34 -5.959 -0.023 9.485 259 HE1 PHE 34 HE1 PHE 34 -10.229 2.107 8.245 260 HE2 PHE 34 HE2 PHE 34 -7.516 0.842 11.253 261 HZ PHE 34 HZ PHE 34 -9.633 1.897 10.612 262 H VAL 35 H VAL 35 -3.507 0.120 5.945 263 HA VAL 35 HA VAL 35 -2.409 2.095 7.601 264 HB VAL 35 HB VAL 35 -1.679 -0.312 7.175 265 HG11 VAL 35 HG11 VAL 35 -0.313 1.029 4.818 266 HG12 VAL 35 HG12 VAL 35 0.088 -0.589 5.443 267 HG13 VAL 35 HG13 VAL 35 -1.524 -0.274 4.758 268 HG21 VAL 35 HG21 VAL 35 0.648 1.599 7.041 269 HG22 VAL 35 HG22 VAL 35 -0.446 1.597 8.445 270 HG23 VAL 35 HG23 VAL 35 0.451 0.122 8.015 271 H GLY 36 H GLY 36 -2.385 1.589 4.023 272 HA2 GLY 36 HA2 GLY 36 -0.645 3.644 3.335 273 HA3 GLY 36 HA3 GLY 36 -1.930 2.999 2.334 274 H CYS 37 H CYS 37 -4.188 3.674 4.041 275 HA CYS 37 HA CYS 37 -4.529 6.347 3.209 276 HB2 CYS 37 HB2 CYS 37 -6.271 4.390 3.585 277 HB3 CYS 37 HB3 CYS 37 -6.361 5.050 5.205 278 HG CYS 37 HG CYS 37 -8.198 5.867 3.221 279 H LEU 38 H LEU 38 -4.593 4.792 6.510 280 HA LEU 38 HA LEU 38 -4.647 6.965 8.071 281 HB2 LEU 38 HB2 LEU 38 -4.486 4.451 8.616 282 HB3 LEU 38 HB3 LEU 38 -2.753 4.705 8.657 283 HG LEU 38 HG LEU 38 -4.172 6.683 10.268 284 HD11 LEU 38 HD11 LEU 38 -4.337 3.960 11.480 285 HD12 LEU 38 HD12 LEU 38 -5.302 5.421 11.797 286 HD13 LEU 38 HD13 LEU 38 -5.604 4.455 10.333 287 HD21 LEU 38 HD21 LEU 38 -2.425 6.380 11.731 288 HD22 LEU 38 HD22 LEU 38 -2.250 4.651 11.343 289 HD23 LEU 38 HD23 LEU 38 -1.675 5.884 10.195 290 H ALA 39 H ALA 39 -1.698 5.600 6.478 291 HA ALA 39 HA ALA 39 0.108 7.411 7.553 292 HB1 ALA 39 HB1 ALA 39 1.602 6.492 6.025 293 HB2 ALA 39 HB2 ALA 39 0.361 5.219 6.096 294 HB3 ALA 39 HB3 ALA 39 0.377 6.371 4.739 295 H GLY 40 H GLY 40 -1.536 7.496 4.306 296 HA2 GLY 40 HA2 GLY 40 -0.644 10.055 3.608 297 HA3 GLY 40 HA3 GLY 40 -2.034 9.216 2.948 298 H TYR 41 H TYR 41 -4.122 9.300 4.209 299 HA TYR 41 HA TYR 41 -5.012 11.783 4.670 300 HB2 TYR 41 HB2 TYR 41 -6.063 9.323 4.755 301 HB3 TYR 41 HB3 TYR 41 -5.731 9.408 6.473 302 HD1 TYR 41 HD2 TYR 41 -7.554 11.174 3.732 303 HD2 TYR 41 HD1 TYR 41 -7.255 10.448 7.937 304 HE1 TYR 41 HE2 TYR 41 -9.757 12.386 4.105 305 HE2 TYR 41 HE1 TYR 41 -9.459 11.662 8.296 306 HH TYR 41 HH TYR 41 -11.575 12.322 5.825 307 H GLY 42 H GLY 42 -3.843 9.563 7.309 308 HA2 GLY 42 HA2 GLY 42 -4.086 11.305 9.426 309 HA3 GLY 42 HA3 GLY 42 -2.905 10.016 9.301 310 H ALA 43 H ALA 43 -1.187 10.772 7.290 311 HA ALA 43 HA ALA 43 0.489 12.570 8.519 312 HB1 ALA 43 HB1 ALA 43 1.301 11.025 6.868 313 HB2 ALA 43 HB2 ALA 43 0.216 11.689 5.622 314 HB3 ALA 43 HB3 ALA 43 1.579 12.661 6.226 315 H TYR 44 H TYR 44 -2.297 13.105 6.389 316 HA TYR 44 HA TYR 44 -1.595 15.867 5.929 317 HB2 TYR 44 HB2 TYR 44 -3.532 13.760 5.089 318 HB3 TYR 44 HB3 TYR 44 -4.314 15.316 5.283 319 HD1 TYR 44 HD1 TYR 44 -2.569 17.302 4.266 320 HD2 TYR 44 HD2 TYR 44 -3.065 13.287 2.874 321 HE1 TYR 44 HE1 TYR 44 -1.751 17.993 1.960 322 HE2 TYR 44 HE2 TYR 44 -2.246 13.992 0.572 323 HH TYR 44 HH TYR 44 -1.830 17.324 -0.250 324 H ARG 45 H ARG 45 -3.578 13.928 8.155 325 HA ARG 45 HA ARG 45 -4.922 16.294 9.068 326 HB2 ARG 45 HB2 ARG 45 -6.146 14.115 8.876 327 HB3 ARG 45 HB3 ARG 45 -5.063 13.398 10.052 328 HG2 ARG 45 HG2 ARG 45 -6.339 14.191 11.747 329 HG3 ARG 45 HG3 ARG 45 -6.078 15.835 11.201 330 HD2 ARG 45 HD2 ARG 45 -7.945 14.914 9.352 331 HD3 ARG 45 HD3 ARG 45 -8.435 14.069 10.806 332 HE ARG 45 HE ARG 45 -9.096 16.110 11.756 333 HH11 ARG 45 HH22 ARG 45 -7.068 16.730 8.948 334 HH12 ARG 45 HH21 ARG 45 -7.371 18.435 8.946 335 HH21 ARG 45 HH12 ARG 45 -9.496 18.360 11.754 336 HH22 ARG 45 HH11 ARG 45 -8.761 19.369 10.553 337 H VAL 46 H VAL 46 -3.274 13.549 10.811 338 HA VAL 46 HA VAL 46 -2.757 14.923 13.128 339 HB VAL 46 HB VAL 46 -1.175 12.709 11.807 340 HG11 VAL 46 HG11 VAL 46 -1.271 12.818 14.748 341 HG12 VAL 46 HG12 VAL 46 0.095 12.499 13.653 342 HG13 VAL 46 HG13 VAL 46 -0.396 14.175 13.999 343 HG21 VAL 46 HG21 VAL 46 -3.769 12.807 13.228 344 HG22 VAL 46 HG22 VAL 46 -3.142 11.623 12.056 345 HG23 VAL 46 HG23 VAL 46 -2.656 11.526 13.765 346 H SER 47 H SER 47 -1.027 14.940 10.008 347 HA SER 47 HA SER 47 0.612 16.139 9.247 348 HB2 SER 47 HB2 SER 47 -0.778 17.921 11.108 349 HB3 SER 47 HB3 SER 47 0.915 18.355 10.981 350 HG SER 47 HG SER 47 -1.093 18.289 8.933 351 H ASN 48 H ASN 48 2.526 15.005 9.501 352 HA ASN 48 HA ASN 48 4.380 15.874 11.331 353 HB2 ASN 48 HB2 ASN 48 2.589 14.159 12.610 354 HB3 ASN 48 HB3 ASN 48 3.847 13.045 12.113 355 HD21 ASN 48 HD21 ASN 48 3.095 13.901 14.769 356 HD22 ASN 48 HD22 ASN 48 4.487 14.616 15.513 357 H ASP 49 H ASP 49 5.855 15.727 9.582 358 HA ASP 49 HA ASP 49 7.349 14.771 8.316 359 HB2 ASP 49 HB2 ASP 49 6.672 12.637 10.072 360 HB3 ASP 49 HB3 ASP 49 6.616 11.940 8.466 361 H LYS 50 H LYS 50 6.358 15.538 6.358 362 HA LYS 50 HA LYS 50 5.153 13.494 4.743 363 HB2 LYS 50 HB2 LYS 50 3.336 14.780 6.220 364 HB3 LYS 50 HB3 LYS 50 3.487 15.967 4.940 365 HG2 LYS 50 HG2 LYS 50 3.167 13.046 4.207 366 HG3 LYS 50 HG3 LYS 50 1.758 13.957 4.714 367 HD2 LYS 50 HD2 LYS 50 3.566 15.180 2.628 368 HD3 LYS 50 HD3 LYS 50 2.514 13.866 2.140 369 HE2 LYS 50 HE2 LYS 50 0.638 15.170 2.252 370 HE3 LYS 50 HE3 LYS 50 1.100 15.860 3.795 371 HZ1 LYS 50 HZ1 LYS 50 1.160 17.576 2.233 372 HZ2 LYS 50 HZ2 LYS 50 2.729 17.213 2.507 373 HZ3 LYS 50 HZ3 LYS 50 2.000 16.704 1.137 374 H ARG 51 H ARG 51 6.382 13.638 2.949 375 HA ARG 51 HA ARG 51 7.298 16.292 2.231 376 HB2 ARG 51 HB2 ARG 51 8.417 13.557 2.032 377 HB3 ARG 51 HB3 ARG 51 8.587 14.456 0.538 378 HG2 ARG 51 HG2 ARG 51 9.330 16.380 2.365 379 HG3 ARG 51 HG3 ARG 51 9.865 14.932 3.194 380 HD2 ARG 51 HD2 ARG 51 10.723 14.468 0.575 381 HD3 ARG 51 HD3 ARG 51 10.943 16.199 0.740 382 HE ARG 51 HE ARG 51 12.012 15.210 3.095 383 HH11 ARG 51 HH22 ARG 51 12.557 14.506 -0.310 384 HH12 ARG 51 HH21 ARG 51 14.213 14.051 -0.083 385 HH21 ARG 51 HH12 ARG 51 14.197 14.610 3.395 386 HH22 ARG 51 HH11 ARG 51 15.152 14.111 2.039 387 H ASP 52 H ASP 52 6.247 13.203 0.596 388 HA ASP 52 HA ASP 52 4.370 14.645 -0.961 389 HB2 ASP 52 HB2 ASP 52 6.831 14.765 -2.049 390 HB3 ASP 52 HB3 ASP 52 6.417 13.155 -2.605 391 H VAL 53 H VAL 53 6.496 11.680 -1.175 392 HA VAL 53 HA VAL 53 4.172 10.014 -0.683 393 HB VAL 53 HB VAL 53 4.675 8.614 -2.654 394 HG11 VAL 53 HG11 VAL 53 2.910 10.448 -2.601 395 HG12 VAL 53 HG12 VAL 53 4.059 11.450 -3.521 396 HG13 VAL 53 HG13 VAL 53 3.455 9.925 -4.213 397 HG21 VAL 53 HG21 VAL 53 5.949 10.016 -4.517 398 HG22 VAL 53 HG22 VAL 53 6.748 10.729 -3.095 399 HG23 VAL 53 HG23 VAL 53 6.826 8.972 -3.373 400 H LYS 54 H LYS 54 6.641 10.852 0.765 401 HA LYS 54 HA LYS 54 8.426 8.623 0.602 402 HB2 LYS 54 HB2 LYS 54 9.214 10.880 1.152 403 HB3 LYS 54 HB3 LYS 54 8.221 10.901 2.594 404 HG2 LYS 54 HG2 LYS 54 9.891 9.888 3.740 405 HG3 LYS 54 HG3 LYS 54 9.715 8.473 2.722 406 HD2 LYS 54 HD2 LYS 54 11.283 9.452 1.055 407 HD3 LYS 54 HD3 LYS 54 11.428 10.906 2.023 408 HE2 LYS 54 HE2 LYS 54 12.354 9.537 3.917 409 HE3 LYS 54 HE3 LYS 54 12.236 8.098 2.923 410 HZ1 LYS 54 HZ1 LYS 54 14.375 8.812 2.603 411 HZ2 LYS 54 HZ2 LYS 54 13.633 9.443 1.293 412 HZ3 LYS 54 HZ3 LYS 54 13.991 10.399 2.568 413 H VAL 55 H VAL 55 6.028 9.843 3.043 414 HA VAL 55 HA VAL 55 6.229 7.961 4.936 415 HB VAL 55 HB VAL 55 4.711 9.828 5.041 416 HG11 VAL 55 HG11 VAL 55 2.736 8.452 3.232 417 HG12 VAL 55 HG12 VAL 55 2.843 10.166 3.701 418 HG13 VAL 55 HG13 VAL 55 4.013 9.485 2.546 419 HG21 VAL 55 HG21 VAL 55 3.826 7.068 5.596 420 HG22 VAL 55 HG22 VAL 55 3.875 8.497 6.657 421 HG23 VAL 55 HG23 VAL 55 2.513 8.268 5.535 422 H SER 56 H SER 56 4.375 7.622 1.838 423 HA SER 56 HA SER 56 3.318 5.183 2.254 424 HB2 SER 56 HB2 SER 56 4.527 6.279 -0.324 425 HB3 SER 56 HB3 SER 56 3.449 4.899 -0.252 426 HG SER 56 HG SER 56 2.679 7.430 0.888 427 H LEU 57 H LEU 57 6.593 5.929 0.861 428 HA LEU 57 HA LEU 57 7.393 3.304 0.494 429 HB2 LEU 57 HB2 LEU 57 8.404 5.618 -0.205 430 HB3 LEU 57 HB3 LEU 57 9.319 5.456 1.281 431 HG LEU 57 HG LEU 57 10.054 3.159 0.399 432 HD11 LEU 57 HD11 LEU 57 10.079 3.072 -2.141 433 HD12 LEU 57 HD12 LEU 57 8.525 2.731 -1.343 434 HD13 LEU 57 HD13 LEU 57 8.809 4.319 -2.097 435 HD21 LEU 57 HD21 LEU 57 11.700 4.345 -1.254 436 HD22 LEU 57 HD22 LEU 57 10.934 5.831 -0.642 437 HD23 LEU 57 HD23 LEU 57 11.746 4.719 0.486 438 H PHE 58 H PHE 58 7.305 5.369 3.405 439 HA PHE 58 HA PHE 58 8.925 3.668 4.972 440 HB2 PHE 58 HB2 PHE 58 7.921 6.207 5.144 441 HB3 PHE 58 HB3 PHE 58 6.680 5.393 6.075 442 HD1 PHE 58 HD2 PHE 58 10.372 4.859 5.932 443 HD2 PHE 58 HD1 PHE 58 7.016 5.931 8.296 444 HE1 PHE 58 HE2 PHE 58 11.837 4.953 7.968 445 HE2 PHE 58 HE1 PHE 58 8.481 6.025 10.332 446 HZ PHE 58 HZ PHE 58 10.874 5.536 10.144 447 H THR 59 H THR 59 5.492 3.712 4.067 448 HA THR 59 HA THR 59 4.658 1.990 6.193 449 HB THR 59 HB THR 59 3.437 2.974 3.568 450 HG1 THR 59 HG1 THR 59 2.421 4.357 5.099 451 HG21 THR 59 HG21 THR 59 2.119 1.038 3.922 452 HG22 THR 59 HG22 THR 59 2.384 1.067 5.682 453 HG23 THR 59 HG23 THR 59 1.273 2.237 4.930 454 H ALA 60 H ALA 60 5.488 1.539 2.706 455 HA ALA 60 HA ALA 60 4.921 -1.216 2.721 456 HB1 ALA 60 HB1 ALA 60 5.444 0.677 0.830 457 HB2 ALA 60 HB2 ALA 60 7.005 -0.177 0.873 458 HB3 ALA 60 HB3 ALA 60 5.509 -1.075 0.523 459 H PHE 61 H PHE 61 7.794 0.753 3.549 460 HA PHE 61 HA PHE 61 9.623 -1.366 3.601 461 HB2 PHE 61 HB2 PHE 61 10.052 1.159 3.597 462 HB3 PHE 61 HB3 PHE 61 9.438 1.236 5.237 463 HD1 PHE 61 HD2 PHE 61 11.932 -0.856 3.388 464 HD2 PHE 61 HD1 PHE 61 11.063 1.452 6.842 465 HE1 PHE 61 HE2 PHE 61 14.237 -1.310 4.272 466 HE2 PHE 61 HE1 PHE 61 13.368 0.998 7.725 467 HZ PHE 61 HZ PHE 61 14.928 -0.378 6.430 468 H PHE 62 H PHE 62 8.125 0.398 6.414 469 HA PHE 62 HA PHE 62 8.956 -1.430 8.314 470 HB2 PHE 62 HB2 PHE 62 7.049 0.822 7.951 471 HB3 PHE 62 HB3 PHE 62 6.452 -0.335 9.124 472 HD1 PHE 62 HD1 PHE 62 9.865 0.998 8.373 473 HD2 PHE 62 HD2 PHE 62 6.801 0.450 11.258 474 HE1 PHE 62 HE1 PHE 62 11.336 2.023 10.130 475 HE2 PHE 62 HE2 PHE 62 8.272 1.475 13.015 476 HZ PHE 62 HZ PHE 62 10.522 2.249 12.430 477 H LEU 63 H LEU 63 5.954 -1.306 6.320 478 HA LEU 63 HA LEU 63 4.537 -3.275 7.642 479 HB2 LEU 63 HB2 LEU 63 3.528 -1.834 6.022 480 HB3 LEU 63 HB3 LEU 63 4.579 -2.423 4.749 481 HG LEU 63 HG LEU 63 3.332 -4.737 5.626 482 HD11 LEU 63 HD11 LEU 63 1.302 -2.486 5.649 483 HD12 LEU 63 HD12 LEU 63 0.925 -4.226 5.654 484 HD13 LEU 63 HD13 LEU 63 1.786 -3.498 7.031 485 HD21 LEU 63 HD21 LEU 63 2.408 -4.828 3.488 486 HD22 LEU 63 HD22 LEU 63 2.212 -3.062 3.387 487 HD23 LEU 63 HD23 LEU 63 3.836 -3.785 3.284 488 H ALA 64 H ALA 64 6.575 -3.664 4.651 489 HA ALA 64 HA ALA 64 6.464 -6.396 4.527 490 HB1 ALA 64 HB1 ALA 64 8.493 -6.211 3.177 491 HB2 ALA 64 HB2 ALA 64 7.413 -4.842 2.819 492 HB3 ALA 64 HB3 ALA 64 8.835 -4.604 3.862 493 H THR 65 H THR 65 8.854 -4.320 6.301 494 HA THR 65 HA THR 65 10.397 -6.385 7.324 495 HB THR 65 HB THR 65 9.698 -3.577 8.313 496 HG1 THR 65 HG1 THR 65 11.841 -4.987 6.895 497 HG21 THR 65 HG21 THR 65 11.813 -5.568 9.277 498 HG22 THR 65 HG22 THR 65 11.936 -3.813 9.544 499 HG23 THR 65 HG23 THR 65 10.595 -4.731 10.270 500 H ILE 66 H ILE 66 7.211 -5.168 8.336 501 HA ILE 66 HA ILE 66 7.292 -6.567 10.824 502 HB ILE 66 HB ILE 66 5.141 -5.140 9.273 503 HG12 ILE 66 HG12 ILE 66 6.189 -4.383 11.986 504 HG13 ILE 66 HG13 ILE 66 7.128 -3.993 10.558 505 HG21 ILE 66 HG21 ILE 66 4.156 -7.044 10.518 506 HG22 ILE 66 HG22 ILE 66 4.856 -6.390 12.018 507 HG23 ILE 66 HG23 ILE 66 3.631 -5.455 11.127 508 HD11 ILE 66 HD11 ILE 66 5.456 -2.575 9.672 509 HD12 ILE 66 HD12 ILE 66 4.173 -3.321 10.655 510 HD13 ILE 66 HD13 ILE 66 5.372 -2.251 11.420 511 H MET 67 H MET 67 6.374 -7.259 7.472 512 HA MET 67 HA MET 67 5.020 -9.664 8.293 513 HB2 MET 67 HB2 MET 67 5.116 -7.909 5.950 514 HB3 MET 67 HB3 MET 67 5.408 -9.561 5.445 515 HG2 MET 67 HG2 MET 67 3.032 -9.327 5.363 516 HG3 MET 67 HG3 MET 67 3.329 -10.214 6.845 517 HE1 MET 67 HE1 MET 67 0.486 -8.129 6.348 518 HE2 MET 67 HE2 MET 67 0.976 -9.633 7.163 519 HE3 MET 67 HE3 MET 67 0.454 -8.229 8.124 520 H GLY 68 H GLY 68 7.403 -9.129 5.611 521 HA2 GLY 68 HA2 GLY 68 9.100 -10.414 4.880 522 HA3 GLY 68 HA3 GLY 68 9.559 -10.513 6.568 523 H VAL 69 H VAL 69 6.392 -11.762 5.633 524 HA VAL 69 HA VAL 69 7.360 -14.435 5.203 525 HB VAL 69 HB VAL 69 7.420 -14.077 7.691 526 HG11 VAL 69 HG11 VAL 69 5.607 -13.505 8.921 527 HG12 VAL 69 HG12 VAL 69 5.049 -12.790 7.389 528 HG13 VAL 69 HG13 VAL 69 4.479 -14.404 7.878 529 HG21 VAL 69 HG21 VAL 69 7.250 -16.311 6.636 530 HG22 VAL 69 HG22 VAL 69 6.419 -16.236 8.209 531 HG23 VAL 69 HG23 VAL 69 5.475 -16.189 6.701 532 H ARG 70 H ARG 70 6.258 -13.532 3.180 533 HA ARG 70 HA ARG 70 3.543 -14.444 3.291 534 HB2 ARG 70 HB2 ARG 70 3.774 -11.793 3.610 535 HB3 ARG 70 HB3 ARG 70 4.012 -11.807 1.874 536 HG2 ARG 70 HG2 ARG 70 1.686 -11.587 1.996 537 HG3 ARG 70 HG3 ARG 70 1.842 -13.325 1.845 538 HD2 ARG 70 HD2 ARG 70 2.046 -12.969 4.601 539 HD3 ARG 70 HD3 ARG 70 0.909 -11.712 4.157 540 HE ARG 70 HE ARG 70 0.115 -14.078 2.795 541 HH11 ARG 70 HH22 ARG 70 0.367 -12.889 6.097 542 HH12 ARG 70 HH21 ARG 70 -0.917 -13.889 6.690 543 HH21 ARG 70 HH12 ARG 70 -1.578 -15.397 3.577 544 HH22 ARG 70 HH11 ARG 70 -2.031 -15.325 5.247 545 H PHE 71 H PHE 71 5.697 -15.779 2.181 546 HA PHE 71 HA PHE 71 6.483 -16.690 0.334 547 HB2 PHE 71 HB2 PHE 71 3.727 -16.410 0.072 548 HB3 PHE 71 HB3 PHE 71 4.263 -15.549 -1.357 549 HD1 PHE 71 HD1 PHE 71 6.382 -16.979 -2.504 550 HD2 PHE 71 HD2 PHE 71 3.055 -18.554 -0.394 551 HE1 PHE 71 HE1 PHE 71 6.642 -19.158 -3.722 552 HE2 PHE 71 HE2 PHE 71 3.315 -20.734 -1.612 553 HZ PHE 71 HZ PHE 71 5.105 -21.010 -3.261 554 H LYS 72 H LYS 72 7.678 -14.253 0.869 555 HA LYS 72 HA LYS 72 7.660 -12.783 -1.647 556 HB2 LYS 72 HB2 LYS 72 8.861 -12.184 1.070 557 HB3 LYS 72 HB3 LYS 72 9.100 -11.177 -0.344 558 HG2 LYS 72 HG2 LYS 72 6.311 -11.943 0.607 559 HG3 LYS 72 HG3 LYS 72 7.152 -10.553 1.265 560 HD2 LYS 72 HD2 LYS 72 6.307 -9.376 -0.488 561 HD3 LYS 72 HD3 LYS 72 7.487 -10.204 -1.485 562 HE2 LYS 72 HE2 LYS 72 5.901 -11.516 -2.489 563 HE3 LYS 72 HE3 LYS 72 5.080 -11.848 -0.976 564 HZ1 LYS 72 HZ1 LYS 72 4.760 -9.152 -1.715 565 HZ2 LYS 72 HZ2 LYS 72 4.264 -10.132 -2.924 566 HZ3 LYS 72 HZ3 LYS 72 3.617 -10.284 -1.433 567 H ARG 73 H ARG 73 10.282 -11.843 -1.742 568 HA ARG 73 HA ARG 73 12.358 -12.366 -2.173 569 HB2 ARG 73 HB2 ARG 73 11.865 -14.314 -0.327 570 HB3 ARG 73 HB3 ARG 73 12.107 -15.332 -1.732 571 HG2 ARG 73 HG2 ARG 73 14.186 -13.381 -1.827 572 HG3 ARG 73 HG3 ARG 73 14.089 -13.889 -0.153 573 HD2 ARG 73 HD2 ARG 73 13.857 -16.293 -1.636 574 HD3 ARG 73 HD3 ARG 73 15.085 -15.372 -2.483 575 HE ARG 73 HE ARG 73 15.441 -16.678 0.022 576 HH11 ARG 73 HH22 ARG 73 16.149 -13.574 -1.477 577 HH12 ARG 73 HH21 ARG 73 17.543 -13.273 -0.494 578 HH21 ARG 73 HH12 ARG 73 17.280 -16.282 1.319 579 HH22 ARG 73 HH11 ARG 73 18.191 -14.824 1.107 580 H SER 74 H SER 74 10.148 -15.122 -3.059 581 HA SER 74 HA SER 74 11.297 -16.072 -5.233 582 HB2 SER 74 HB2 SER 74 9.143 -16.787 -5.980 583 HB3 SER 74 HB3 SER 74 9.022 -16.672 -4.235 584 HG SER 74 HG SER 74 7.222 -15.591 -4.896 585 H LYS 75 H LYS 75 11.616 -15.522 -7.428 586 HA LYS 75 HA LYS 75 12.004 -14.158 -9.124 587 HB2 LYS 75 HB2 LYS 75 9.161 -13.664 -8.401 588 HB3 LYS 75 HB3 LYS 75 9.893 -12.513 -9.500 589 HG2 LYS 75 HG2 LYS 75 10.194 -15.505 -9.951 590 HG3 LYS 75 HG3 LYS 75 8.768 -14.653 -10.506 591 HD2 LYS 75 HD2 LYS 75 9.889 -13.908 -12.327 592 HD3 LYS 75 HD3 LYS 75 11.057 -13.097 -11.302 593 HE2 LYS 75 HE2 LYS 75 12.512 -14.565 -12.338 594 HE3 LYS 75 HE3 LYS 75 12.005 -15.615 -11.030 595 HZ1 LYS 75 HZ1 LYS 75 10.187 -16.326 -12.605 596 HZ2 LYS 75 HZ2 LYS 75 11.044 -15.601 -13.791 597 HZ3 LYS 75 HZ3 LYS 75 11.699 -16.839 -12.950 598 H LYS 76 H LYS 76 13.778 -12.926 -8.643 599 HA LYS 76 HA LYS 76 14.964 -11.149 -8.094 600 HB2 LYS 76 HB2 LYS 76 12.511 -10.108 -9.070 601 HB3 LYS 76 HB3 LYS 76 12.946 -9.135 -7.679 602 HG2 LYS 76 HG2 LYS 76 15.088 -8.556 -8.610 603 HG3 LYS 76 HG3 LYS 76 14.998 -9.822 -9.818 604 HD2 LYS 76 HD2 LYS 76 13.535 -8.622 -11.185 605 HD3 LYS 76 HD3 LYS 76 12.805 -7.764 -9.843 606 HE2 LYS 76 HE2 LYS 76 14.093 -5.993 -10.482 607 HE3 LYS 76 HE3 LYS 76 15.426 -6.847 -9.730 608 HZ1 LYS 76 HZ1 LYS 76 15.989 -6.309 -11.954 609 HZ2 LYS 76 HZ2 LYS 76 15.804 -7.930 -11.880 610 HZ3 LYS 76 HZ3 LYS 76 14.640 -7.005 -12.555 611 H ILE 77 H ILE 77 15.901 -10.349 -6.216 612 HA ILE 77 HA ILE 77 14.746 -11.316 -3.792 613 HB ILE 77 HB ILE 77 17.275 -9.896 -4.557 614 HG12 ILE 77 HG12 ILE 77 17.634 -12.257 -2.991 615 HG13 ILE 77 HG13 ILE 77 16.446 -12.617 -4.228 616 HG21 ILE 77 HG21 ILE 77 15.983 -9.893 -1.921 617 HG22 ILE 77 HG22 ILE 77 17.646 -10.529 -1.912 618 HG23 ILE 77 HG23 ILE 77 17.319 -8.901 -2.555 619 HD11 ILE 77 HD11 ILE 77 18.102 -11.413 -5.870 620 HD12 ILE 77 HD12 ILE 77 19.299 -11.654 -4.575 621 HD13 ILE 77 HD13 ILE 77 18.495 -13.058 -5.316 622 H MET 78 H MET 78 12.678 -10.031 -4.147 623 HA MET 78 HA MET 78 12.567 -7.997 -2.336 624 HB2 MET 78 HB2 MET 78 13.468 -7.141 -5.001 625 HB3 MET 78 HB3 MET 78 11.940 -6.375 -4.612 626 HG2 MET 78 HG2 MET 78 13.228 -6.023 -2.226 627 HG3 MET 78 HG3 MET 78 14.616 -6.053 -3.294 628 HE1 MET 78 HE1 MET 78 14.998 -2.849 -4.533 629 HE2 MET 78 HE2 MET 78 15.422 -4.577 -4.503 630 HE3 MET 78 HE3 MET 78 14.390 -3.937 -5.804 631 HA PRO 79 HA PRO 79 8.373 -8.800 -3.103 632 HB2 PRO 79 HB2 PRO 79 7.140 -6.699 -1.865 633 HB3 PRO 79 HB3 PRO 79 7.761 -8.090 -1.000 634 HG2 PRO 79 HG2 PRO 79 8.889 -5.364 -1.179 635 HG3 PRO 79 HG3 PRO 79 9.240 -6.623 -0.011 636 HD2 PRO 79 HD2 PRO 79 10.877 -5.837 -2.230 637 HD3 PRO 79 HD3 PRO 79 11.170 -7.171 -1.132 638 H ALA 80 H ALA 80 7.856 -8.892 -5.219 639 HA ALA 80 HA ALA 80 7.970 -6.595 -6.825 640 HB1 ALA 80 HB1 ALA 80 6.108 -8.604 -7.791 641 HB2 ALA 80 HB2 ALA 80 7.716 -8.164 -8.414 642 HB3 ALA 80 HB3 ALA 80 7.564 -9.375 -7.118 643 H GLY 81 H GLY 81 5.096 -8.434 -5.553 644 HA2 GLY 81 HA2 GLY 81 3.057 -6.882 -6.356 645 HA3 GLY 81 HA3 GLY 81 3.117 -7.645 -4.780 646 H LEU 82 H LEU 82 5.002 -6.289 -3.335 647 HA LEU 82 HA LEU 82 3.707 -4.036 -2.496 648 HB2 LEU 82 HB2 LEU 82 5.478 -5.364 -1.325 649 HB3 LEU 82 HB3 LEU 82 6.677 -4.550 -2.311 650 HG LEU 82 HG LEU 82 5.081 -2.514 -1.144 651 HD11 LEU 82 HD11 LEU 82 6.169 -4.101 1.129 652 HD12 LEU 82 HD12 LEU 82 4.804 -2.961 1.067 653 HD13 LEU 82 HD13 LEU 82 4.613 -4.613 0.432 654 HD21 LEU 82 HD21 LEU 82 7.089 -1.608 -0.691 655 HD22 LEU 82 HD22 LEU 82 7.712 -3.092 0.068 656 HD23 LEU 82 HD23 LEU 82 7.700 -2.937 -1.705 657 H VAL 83 H VAL 83 6.446 -4.299 -4.849 658 HA VAL 83 HA VAL 83 6.762 -1.581 -5.277 659 HB VAL 83 HB VAL 83 7.158 -3.921 -7.153 660 HG11 VAL 83 HG11 VAL 83 8.562 -2.551 -8.480 661 HG12 VAL 83 HG12 VAL 83 7.087 -1.594 -8.200 662 HG13 VAL 83 HG13 VAL 83 8.565 -1.243 -7.273 663 HG21 VAL 83 HG21 VAL 83 8.400 -3.412 -4.721 664 HG22 VAL 83 HG22 VAL 83 9.026 -4.442 -6.031 665 HG23 VAL 83 HG23 VAL 83 9.532 -2.739 -5.919 666 H ALA 84 H ALA 84 4.428 -3.946 -6.623 667 HA ALA 84 HA ALA 84 3.436 -2.222 -8.625 668 HB1 ALA 84 HB1 ALA 84 3.025 -4.894 -7.649 669 HB2 ALA 84 HB2 ALA 84 1.443 -4.086 -7.769 670 HB3 ALA 84 HB3 ALA 84 2.504 -4.183 -9.195 671 H GLY 85 H GLY 85 2.868 -2.611 -5.144 672 HA2 GLY 85 HA2 GLY 85 0.380 -1.199 -5.094 673 HA3 GLY 85 HA3 GLY 85 1.396 -1.630 -3.733 674 H LEU 86 H LEU 86 3.779 -0.376 -4.070 675 HA LEU 86 HA LEU 86 3.257 2.235 -3.361 676 HB2 LEU 86 HB2 LEU 86 5.377 0.617 -3.235 677 HB3 LEU 86 HB3 LEU 86 5.866 1.567 -4.624 678 HG LEU 86 HG LEU 86 6.835 2.516 -2.646 679 HD11 LEU 86 HD11 LEU 86 6.528 4.619 -3.323 680 HD12 LEU 86 HD12 LEU 86 5.355 3.949 -4.482 681 HD13 LEU 86 HD13 LEU 86 4.794 4.593 -2.921 682 HD21 LEU 86 HD21 LEU 86 4.769 3.578 -1.113 683 HD22 LEU 86 HD22 LEU 86 4.243 1.917 -1.474 684 HD23 LEU 86 HD23 LEU 86 5.817 2.202 -0.694 685 H SER 87 H SER 87 4.006 0.792 -6.572 686 HA SER 87 HA SER 87 4.294 3.216 -7.888 687 HB2 SER 87 HB2 SER 87 4.096 0.382 -8.565 688 HB3 SER 87 HB3 SER 87 3.221 1.348 -9.737 689 HG SER 87 HG SER 87 5.094 1.923 -10.577 690 H LEU 88 H LEU 88 1.463 0.920 -7.789 691 HA LEU 88 HA LEU 88 -0.345 2.296 -9.211 692 HB2 LEU 88 HB2 LEU 88 -0.350 0.224 -7.292 693 HB3 LEU 88 HB3 LEU 88 -1.613 1.341 -6.814 694 HG LEU 88 HG LEU 88 -2.127 1.126 -9.484 695 HD11 LEU 88 HD11 LEU 88 -1.705 -0.946 -10.373 696 HD12 LEU 88 HD12 LEU 88 -0.232 -0.698 -9.404 697 HD13 LEU 88 HD13 LEU 88 -1.545 -1.725 -8.780 698 HD21 LEU 88 HD21 LEU 88 -3.594 -0.962 -8.344 699 HD22 LEU 88 HD22 LEU 88 -3.252 0.150 -6.997 700 HD23 LEU 88 HD23 LEU 88 -4.064 0.750 -8.463 701 H MET 89 H MET 89 0.500 2.894 -5.741 702 HA MET 89 HA MET 89 -1.334 4.924 -5.375 703 HB2 MET 89 HB2 MET 89 1.117 3.858 -4.058 704 HB3 MET 89 HB3 MET 89 0.853 5.559 -3.730 705 HG2 MET 89 HG2 MET 89 -0.596 4.875 -2.107 706 HG3 MET 89 HG3 MET 89 -1.708 4.500 -3.408 707 HE1 MET 89 HE1 MET 89 -2.897 2.329 -3.234 708 HE2 MET 89 HE2 MET 89 -2.443 1.145 -1.984 709 HE3 MET 89 HE3 MET 89 -2.723 2.846 -1.540 710 H MET 90 H MET 90 2.154 5.043 -6.360 711 HA MET 90 HA MET 90 2.487 7.726 -6.384 712 HB2 MET 90 HB2 MET 90 4.027 5.618 -7.049 713 HB3 MET 90 HB3 MET 90 3.549 6.043 -8.681 714 HG2 MET 90 HG2 MET 90 4.755 8.060 -6.730 715 HG3 MET 90 HG3 MET 90 5.723 7.123 -7.851 716 HE1 MET 90 HE1 MET 90 6.131 7.799 -10.295 717 HE2 MET 90 HE2 MET 90 4.634 6.846 -10.434 718 HE3 MET 90 HE3 MET 90 4.792 8.387 -11.310 719 H ILE 91 H ILE 91 1.521 5.713 -9.264 720 HA ILE 91 HA ILE 91 1.073 7.788 -10.995 721 HB ILE 91 HB ILE 91 -0.302 5.111 -10.770 722 HG12 ILE 91 HG12 ILE 91 1.677 5.533 -12.891 723 HG13 ILE 91 HG13 ILE 91 2.357 5.699 -11.285 724 HG21 ILE 91 HG21 ILE 91 -1.526 6.888 -12.132 725 HG22 ILE 91 HG22 ILE 91 -0.149 6.814 -13.257 726 HG23 ILE 91 HG23 ILE 91 -1.131 5.360 -12.955 727 HD11 ILE 91 HD11 ILE 91 0.973 3.302 -12.513 728 HD12 ILE 91 HD12 ILE 91 2.547 3.384 -11.686 729 HD13 ILE 91 HD13 ILE 91 1.040 3.486 -10.743 730 H LEU 92 H LEU 92 -1.205 6.289 -8.617 731 HA LEU 92 HA LEU 92 -3.445 7.732 -9.297 732 HB2 LEU 92 HB2 LEU 92 -2.711 5.884 -7.381 733 HB3 LEU 92 HB3 LEU 92 -3.113 7.297 -6.427 734 HG LEU 92 HG LEU 92 -5.034 5.829 -6.660 735 HD11 LEU 92 HD11 LEU 92 -5.504 8.181 -6.425 736 HD12 LEU 92 HD12 LEU 92 -5.327 8.434 -8.178 737 HD13 LEU 92 HD13 LEU 92 -6.678 7.459 -7.552 738 HD21 LEU 92 HD21 LEU 92 -4.344 4.843 -8.854 739 HD22 LEU 92 HD22 LEU 92 -6.066 5.284 -8.748 740 HD23 LEU 92 HD23 LEU 92 -4.935 6.325 -9.645 741 H ARG 93 H ARG 93 -0.589 8.658 -7.345 742 HA ARG 93 HA ARG 93 -1.775 11.037 -6.435 743 HB2 ARG 93 HB2 ARG 93 1.129 10.098 -6.593 744 HB3 ARG 93 HB3 ARG 93 0.669 11.619 -5.853 745 HG2 ARG 93 HG2 ARG 93 -1.082 9.662 -4.739 746 HG3 ARG 93 HG3 ARG 93 0.506 8.922 -4.752 747 HD2 ARG 93 HD2 ARG 93 0.428 10.083 -2.672 748 HD3 ARG 93 HD3 ARG 93 1.382 11.130 -3.704 749 HE ARG 93 HE ARG 93 -0.388 12.701 -3.755 750 HH11 ARG 93 HH22 ARG 93 -1.431 9.717 -2.209 751 HH12 ARG 93 HH21 ARG 93 -2.899 10.399 -1.593 752 HH21 ARG 93 HH12 ARG 93 -2.324 13.601 -2.943 753 HH22 ARG 93 HH11 ARG 93 -3.411 12.624 -2.013 754 H LEU 94 H LEU 94 0.033 10.021 -9.314 755 HA LEU 94 HA LEU 94 1.133 12.309 -10.236 756 HB2 LEU 94 HB2 LEU 94 1.079 9.969 -11.232 757 HB3 LEU 94 HB3 LEU 94 -0.442 10.420 -11.978 758 HG LEU 94 HG LEU 94 1.669 12.385 -12.481 759 HD11 LEU 94 HD11 LEU 94 2.088 9.662 -13.724 760 HD12 LEU 94 HD12 LEU 94 3.120 11.108 -13.841 761 HD13 LEU 94 HD13 LEU 94 2.990 10.230 -12.298 762 HD21 LEU 94 HD21 LEU 94 -0.558 11.053 -13.880 763 HD22 LEU 94 HD22 LEU 94 0.022 12.734 -13.966 764 HD23 LEU 94 HD23 LEU 94 0.839 11.461 -14.904 765 H VAL 95 H VAL 95 -2.265 11.256 -11.008 766 HA VAL 95 HA VAL 95 -2.920 13.817 -12.029 767 HB VAL 95 HB VAL 95 -5.160 12.912 -12.188 768 HG11 VAL 95 HG11 VAL 95 -4.057 10.452 -13.072 769 HG12 VAL 95 HG12 VAL 95 -4.408 11.909 -14.032 770 HG13 VAL 95 HG13 VAL 95 -2.802 11.693 -13.297 771 HG21 VAL 95 HG21 VAL 95 -5.724 10.675 -11.340 772 HG22 VAL 95 HG22 VAL 95 -4.119 10.555 -10.579 773 HG23 VAL 95 HG23 VAL 95 -5.281 11.779 -10.015 774 H LEU 96 H LEU 96 -3.314 12.130 -8.879 775 HA LEU 96 HA LEU 96 -5.079 13.682 -7.592 776 HB2 LEU 96 HB2 LEU 96 -3.625 11.706 -6.807 777 HB3 LEU 96 HB3 LEU 96 -2.468 12.924 -6.307 778 HG LEU 96 HG LEU 96 -3.888 12.162 -4.456 779 HD11 LEU 96 HD11 LEU 96 -4.681 15.013 -4.990 780 HD12 LEU 96 HD12 LEU 96 -4.179 14.240 -3.468 781 HD13 LEU 96 HD13 LEU 96 -2.975 14.573 -4.736 782 HD21 LEU 96 HD21 LEU 96 -5.955 12.260 -6.336 783 HD22 LEU 96 HD22 LEU 96 -6.087 11.886 -4.600 784 HD23 LEU 96 HD23 LEU 96 -6.326 13.555 -5.172 785 H LEU 97 H LEU 97 -1.731 14.558 -8.514 786 HA LEU 97 HA LEU 97 -1.245 16.744 -7.043 787 HB2 LEU 97 HB2 LEU 97 -0.144 15.602 -9.221 788 HB3 LEU 97 HB3 LEU 97 -0.787 17.060 -9.952 789 HG LEU 97 HG LEU 97 1.515 17.406 -9.331 790 HD11 LEU 97 HD11 LEU 97 0.647 19.102 -7.207 791 HD12 LEU 97 HD12 LEU 97 0.999 19.517 -8.902 792 HD13 LEU 97 HD13 LEU 97 -0.645 19.024 -8.428 793 HD21 LEU 97 HD21 LEU 97 0.753 16.811 -6.461 794 HD22 LEU 97 HD22 LEU 97 1.594 15.676 -7.544 795 HD23 LEU 97 HD23 LEU 97 2.367 17.214 -7.092 796 H LEU 98 H LEU 98 -3.468 16.550 -9.882 797 HA LEU 98 HA LEU 98 -4.089 19.249 -9.999 798 HB2 LEU 98 HB2 LEU 98 -4.737 16.991 -11.387 799 HB3 LEU 98 HB3 LEU 98 -6.261 17.356 -10.603 800 HG LEU 98 HG LEU 98 -6.170 18.330 -12.826 801 HD11 LEU 98 HD11 LEU 98 -5.976 20.858 -11.385 802 HD12 LEU 98 HD12 LEU 98 -7.374 20.086 -12.170 803 HD13 LEU 98 HD13 LEU 98 -6.929 19.639 -10.505 804 HD21 LEU 98 HD21 LEU 98 -4.119 18.876 -13.556 805 HD22 LEU 98 HD22 LEU 98 -4.470 20.458 -12.821 806 HD23 LEU 98 HD23 LEU 98 -3.520 19.251 -11.922 807 H LEU 99 H LEU 99 -5.651 16.560 -8.140 808 HA LEU 99 HA LEU 99 -7.711 17.983 -7.041 809 HB2 LEU 99 HB2 LEU 99 -6.695 15.458 -6.832 810 HB3 LEU 99 HB3 LEU 99 -6.369 16.090 -5.230 811 HG LEU 99 HG LEU 99 -9.105 16.192 -6.521 812 HD11 LEU 99 HD11 LEU 99 -8.142 14.132 -4.524 813 HD12 LEU 99 HD12 LEU 99 -9.719 14.207 -5.347 814 HD13 LEU 99 HD13 LEU 99 -8.244 13.850 -6.279 815 HD21 LEU 99 HD21 LEU 99 -8.018 16.849 -3.803 816 HD22 LEU 99 HD22 LEU 99 -9.164 17.750 -4.825 817 HD23 LEU 99 HD23 LEU 99 -9.696 16.279 -3.976 Start of MODEL 3 1 H MET 1 H1 MET 1 -17.728 -21.055 -15.460 2 HA MET 1 HA MET 1 -18.857 -19.131 -15.912 3 HB2 MET 1 HB2 MET 1 -17.820 -18.432 -13.163 4 HB3 MET 1 HB3 MET 1 -18.103 -17.086 -14.250 5 HG2 MET 1 HG2 MET 1 -20.426 -18.475 -14.650 6 HG3 MET 1 HG3 MET 1 -20.077 -18.971 -13.006 7 HE1 MET 1 HE1 MET 1 -22.113 -16.308 -11.453 8 HE2 MET 1 HE2 MET 1 -22.465 -17.727 -12.469 9 HE3 MET 1 HE3 MET 1 -21.197 -17.817 -11.222 10 H ASP 2 H ASP 2 -17.739 -18.739 -17.797 11 HA ASP 2 HA ASP 2 -15.693 -16.833 -17.723 12 HB2 ASP 2 HB2 ASP 2 -14.952 -19.732 -18.272 13 HB3 ASP 2 HB3 ASP 2 -14.021 -18.421 -18.968 14 H LEU 3 H LEU 3 -16.841 -19.750 -19.592 15 HA LEU 3 HA LEU 3 -16.606 -18.473 -22.101 16 HB2 LEU 3 HB2 LEU 3 -18.045 -20.961 -21.183 17 HB3 LEU 3 HB3 LEU 3 -17.976 -20.446 -22.857 18 HG LEU 3 HG LEU 3 -15.308 -20.428 -22.083 19 HD11 LEU 3 HD11 LEU 3 -16.605 -21.937 -20.133 20 HD12 LEU 3 HD12 LEU 3 -15.926 -23.142 -21.254 21 HD13 LEU 3 HD13 LEU 3 -14.864 -21.927 -20.503 22 HD21 LEU 3 HD21 LEU 3 -17.079 -22.130 -23.747 23 HD22 LEU 3 HD22 LEU 3 -15.593 -21.246 -24.171 24 HD23 LEU 3 HD23 LEU 3 -15.488 -22.808 -23.323 25 H ILE 4 H ILE 4 -17.679 -16.395 -21.322 26 HA ILE 4 HA ILE 4 -20.311 -16.349 -22.375 27 HB ILE 4 HB ILE 4 -20.611 -17.252 -20.020 28 HG12 ILE 4 HG12 ILE 4 -22.263 -14.875 -19.950 29 HG13 ILE 4 HG13 ILE 4 -22.135 -15.474 -21.592 30 HG21 ILE 4 HG21 ILE 4 -20.610 -14.606 -18.817 31 HG22 ILE 4 HG22 ILE 4 -19.914 -16.134 -18.228 32 HG23 ILE 4 HG23 ILE 4 -18.982 -15.100 -19.338 33 HD11 ILE 4 HD11 ILE 4 -23.254 -16.848 -19.149 34 HD12 ILE 4 HD12 ILE 4 -23.921 -16.753 -20.797 35 HD13 ILE 4 HD13 ILE 4 -22.557 -17.843 -20.450 36 H GLY 5 H GLY 5 -21.112 -14.099 -22.563 37 HA2 GLY 5 HA2 GLY 5 -19.367 -12.322 -23.550 38 HA3 GLY 5 HA3 GLY 5 -20.845 -11.853 -22.734 39 H PHE 6 H PHE 6 -17.915 -10.762 -22.852 40 HA PHE 6 HA PHE 6 -17.151 -10.939 -20.074 41 HB2 PHE 6 HB2 PHE 6 -16.110 -9.942 -22.720 42 HB3 PHE 6 HB3 PHE 6 -15.558 -9.028 -21.331 43 HD1 PHE 6 HD1 PHE 6 -15.575 -12.371 -22.887 44 HD2 PHE 6 HD2 PHE 6 -13.935 -9.923 -19.833 45 HE1 PHE 6 HE1 PHE 6 -13.804 -14.096 -22.455 46 HE2 PHE 6 HE2 PHE 6 -12.164 -11.648 -19.401 47 HZ PHE 6 HZ PHE 6 -12.120 -13.714 -20.717 48 H GLY 7 H GLY 7 -18.028 -8.316 -22.439 49 HA2 GLY 7 HA2 GLY 7 -17.979 -6.100 -20.962 50 HA3 GLY 7 HA3 GLY 7 -19.283 -6.453 -22.079 51 H TYR 8 H TYR 8 -20.837 -8.362 -20.979 52 HA TYR 8 HA TYR 8 -22.372 -7.087 -19.131 53 HB2 TYR 8 HB2 TYR 8 -21.764 -9.948 -19.972 54 HB3 TYR 8 HB3 TYR 8 -22.801 -9.742 -18.574 55 HD1 TYR 8 HD1 TYR 8 -24.876 -8.167 -18.887 56 HD2 TYR 8 HD2 TYR 8 -22.690 -9.920 -22.120 57 HE1 TYR 8 HE1 TYR 8 -26.873 -7.836 -20.426 58 HE2 TYR 8 HE2 TYR 8 -24.694 -9.584 -23.648 59 HH TYR 8 HH TYR 8 -27.684 -8.115 -22.402 60 H ALA 9 H ALA 9 -19.783 -9.550 -18.489 61 HA ALA 9 HA ALA 9 -20.111 -9.644 -15.741 62 HB1 ALA 9 HB1 ALA 9 -18.101 -10.841 -15.755 63 HB2 ALA 9 HB2 ALA 9 -18.677 -11.057 -17.425 64 HB3 ALA 9 HB3 ALA 9 -17.408 -9.861 -17.069 65 H ALA 10 H ALA 10 -18.394 -7.318 -17.855 66 HA ALA 10 HA ALA 10 -17.045 -6.015 -15.731 67 HB1 ALA 10 HB1 ALA 10 -17.437 -4.260 -17.946 68 HB2 ALA 10 HB2 ALA 10 -15.983 -5.200 -17.533 69 HB3 ALA 10 HB3 ALA 10 -17.221 -5.900 -18.604 70 H LEU 11 H LEU 11 -20.284 -5.846 -17.168 71 HA LEU 11 HA LEU 11 -20.927 -3.283 -16.181 72 HB2 LEU 11 HB2 LEU 11 -22.112 -5.302 -17.770 73 HB3 LEU 11 HB3 LEU 11 -23.221 -4.985 -16.451 74 HG LEU 11 HG LEU 11 -23.079 -2.529 -17.031 75 HD11 LEU 11 HD11 LEU 11 -20.892 -2.875 -18.334 76 HD12 LEU 11 HD12 LEU 11 -21.933 -3.412 -19.675 77 HD13 LEU 11 HD13 LEU 11 -22.108 -1.768 -19.015 78 HD21 LEU 11 HD21 LEU 11 -24.323 -4.652 -18.715 79 HD22 LEU 11 HD22 LEU 11 -25.074 -3.384 -17.716 80 HD23 LEU 11 HD23 LEU 11 -24.385 -2.974 -19.305 81 H VAL 12 H VAL 12 -21.773 -6.621 -15.012 82 HA VAL 12 HA VAL 12 -22.980 -5.739 -12.660 83 HB VAL 12 HB VAL 12 -22.582 -8.091 -11.920 84 HG11 VAL 12 HG11 VAL 12 -23.932 -9.116 -13.807 85 HG12 VAL 12 HG12 VAL 12 -24.606 -7.633 -13.089 86 HG13 VAL 12 HG13 VAL 12 -23.768 -7.562 -14.658 87 HG21 VAL 12 HG21 VAL 12 -20.384 -8.331 -13.133 88 HG22 VAL 12 HG22 VAL 12 -21.517 -9.686 -13.352 89 HG23 VAL 12 HG23 VAL 12 -21.311 -8.480 -14.645 90 H THR 13 H THR 13 -19.578 -6.321 -13.564 91 HA THR 13 HA THR 13 -18.516 -6.386 -10.971 92 HB THR 13 HB THR 13 -17.400 -5.574 -13.703 93 HG1 THR 13 HG1 THR 13 -16.875 -7.792 -13.664 94 HG21 THR 13 HG21 THR 13 -15.452 -6.669 -11.851 95 HG22 THR 13 HG22 THR 13 -15.397 -5.111 -12.710 96 HG23 THR 13 HG23 THR 13 -16.187 -5.222 -11.119 97 H PHE 14 H PHE 14 -18.823 -3.611 -13.288 98 HA PHE 14 HA PHE 14 -17.811 -1.721 -11.528 99 HB2 PHE 14 HB2 PHE 14 -18.584 -1.814 -14.133 100 HB3 PHE 14 HB3 PHE 14 -20.074 -1.155 -13.487 101 HD1 PHE 14 HD2 PHE 14 -16.408 -0.539 -13.602 102 HD2 PHE 14 HD1 PHE 14 -20.274 1.140 -13.105 103 HE1 PHE 14 HE2 PHE 14 -15.415 1.765 -13.662 104 HE2 PHE 14 HE1 PHE 14 -19.281 3.444 -13.165 105 HZ PHE 14 HZ PHE 14 -16.863 3.729 -13.443 106 H GLY 15 H GLY 15 -21.292 -2.381 -12.375 107 HA2 GLY 15 HA2 GLY 15 -22.458 -0.661 -10.565 108 HA3 GLY 15 HA3 GLY 15 -23.174 -2.142 -11.169 109 H SER 16 H SER 16 -22.204 -4.259 -10.097 110 HA SER 16 HA SER 16 -22.983 -4.403 -7.571 111 HB2 SER 16 HB2 SER 16 -22.246 -6.305 -9.065 112 HB3 SER 16 HB3 SER 16 -20.580 -5.920 -8.679 113 HG SER 16 HG SER 16 -21.793 -7.647 -7.364 114 H ILE 17 H ILE 17 -19.578 -3.736 -8.653 115 HA ILE 17 HA ILE 17 -18.371 -3.576 -6.214 116 HB ILE 17 HB ILE 17 -17.927 -2.263 -8.860 117 HG12 ILE 17 HG12 ILE 17 -16.159 -4.092 -7.216 118 HG13 ILE 17 HG13 ILE 17 -17.354 -4.673 -8.358 119 HG21 ILE 17 HG21 ILE 17 -16.294 -1.683 -6.373 120 HG22 ILE 17 HG22 ILE 17 -15.866 -1.220 -8.037 121 HG23 ILE 17 HG23 ILE 17 -17.311 -0.526 -7.264 122 HD11 ILE 17 HD11 ILE 17 -16.247 -3.360 -10.180 123 HD12 ILE 17 HD12 ILE 17 -15.015 -2.823 -9.013 124 HD13 ILE 17 HD13 ILE 17 -15.145 -4.546 -9.439 125 H PHE 18 H PHE 18 -20.122 -0.946 -7.994 126 HA PHE 18 HA PHE 18 -19.706 1.023 -6.091 127 HB2 PHE 18 HB2 PHE 18 -20.701 1.041 -8.522 128 HB3 PHE 18 HB3 PHE 18 -22.216 0.546 -7.795 129 HD1 PHE 18 HD1 PHE 18 -23.458 2.088 -6.338 130 HD2 PHE 18 HD2 PHE 18 -19.890 3.299 -8.290 131 HE1 PHE 18 HE1 PHE 18 -24.029 4.491 -5.891 132 HE2 PHE 18 HE2 PHE 18 -20.461 5.701 -7.843 133 HZ PHE 18 HZ PHE 18 -22.524 6.269 -6.649 134 H GLY 19 H GLY 19 -22.073 -1.649 -6.248 135 HA2 GLY 19 HA2 GLY 19 -23.739 -0.605 -4.154 136 HA3 GLY 19 HA3 GLY 19 -23.811 -2.192 -4.894 137 H TYR 20 H TYR 20 -20.715 -2.383 -4.353 138 HA TYR 20 HA TYR 20 -19.590 -3.633 -2.865 139 HB2 TYR 20 HB2 TYR 20 -19.996 -0.948 -2.131 140 HB3 TYR 20 HB3 TYR 20 -20.487 -1.783 -0.670 141 HD1 TYR 20 HD2 TYR 20 -17.674 -1.963 -3.161 142 HD2 TYR 20 HD1 TYR 20 -18.857 -2.061 0.949 143 HE1 TYR 20 HE2 TYR 20 -15.240 -2.176 -2.459 144 HE2 TYR 20 HE1 TYR 20 -16.419 -2.274 1.638 145 HH TYR 20 HH TYR 20 -14.380 -2.621 0.947 146 H LYS 21 H LYS 21 -20.748 -5.595 -2.665 147 HA LYS 21 HA LYS 21 -22.380 -5.720 -0.228 148 HB2 LYS 21 HB2 LYS 21 -23.847 -7.337 -1.335 149 HB3 LYS 21 HB3 LYS 21 -23.875 -5.784 -2.146 150 HG2 LYS 21 HG2 LYS 21 -23.197 -6.740 -4.086 151 HG3 LYS 21 HG3 LYS 21 -21.749 -7.355 -3.314 152 HD2 LYS 21 HD2 LYS 21 -23.344 -9.220 -2.341 153 HD3 LYS 21 HD3 LYS 21 -24.449 -8.712 -3.603 154 HE2 LYS 21 HE2 LYS 21 -22.632 -9.092 -5.311 155 HE3 LYS 21 HE3 LYS 21 -21.576 -9.663 -4.035 156 HZ1 LYS 21 HZ1 LYS 21 -22.592 -11.608 -4.044 157 HZ2 LYS 21 HZ2 LYS 21 -24.090 -10.960 -3.980 158 HZ3 LYS 21 HZ3 LYS 21 -23.347 -11.160 -5.421 159 H ARG 22 H ARG 22 -19.427 -6.246 -1.142 160 HA ARG 22 HA ARG 22 -19.060 -8.400 0.554 161 HB2 ARG 22 HB2 ARG 22 -19.808 -9.250 -2.024 162 HB3 ARG 22 HB3 ARG 22 -18.061 -9.382 -2.051 163 HG2 ARG 22 HG2 ARG 22 -18.402 -11.407 -1.045 164 HG3 ARG 22 HG3 ARG 22 -18.603 -10.469 0.421 165 HD2 ARG 22 HD2 ARG 22 -20.875 -10.831 0.501 166 HD3 ARG 22 HD3 ARG 22 -21.071 -10.641 -1.230 167 HE ARG 22 HE ARG 22 -19.672 -13.067 -0.867 168 HH11 ARG 22 HH22 ARG 22 -22.809 -11.732 0.006 169 HH12 ARG 22 HH21 ARG 22 -23.604 -13.271 0.014 170 HH21 ARG 22 HH12 ARG 22 -20.721 -15.097 -0.857 171 HH22 ARG 22 HH11 ARG 22 -22.409 -15.198 -0.480 172 H ARG 23 H ARG 23 -16.631 -9.134 0.477 173 HA ARG 23 HA ARG 23 -15.118 -6.763 -0.192 174 HB2 ARG 23 HB2 ARG 23 -13.453 -7.576 1.389 175 HB3 ARG 23 HB3 ARG 23 -15.023 -7.753 2.146 176 HG2 ARG 23 HG2 ARG 23 -14.831 -10.185 0.891 177 HG3 ARG 23 HG3 ARG 23 -13.132 -9.860 1.177 178 HD2 ARG 23 HD2 ARG 23 -13.369 -9.886 3.514 179 HD3 ARG 23 HD3 ARG 23 -15.050 -9.394 3.461 180 HE ARG 23 HE ARG 23 -14.751 -11.977 2.213 181 HH11 ARG 23 HH22 ARG 23 -14.777 -10.429 5.373 182 HH12 ARG 23 HH21 ARG 23 -15.308 -11.851 6.207 183 HH21 ARG 23 HH12 ARG 23 -15.451 -13.854 3.313 184 HH22 ARG 23 HH11 ARG 23 -15.694 -13.812 5.027 185 H GLY 24 H GLY 24 -12.763 -7.201 -0.992 186 HA2 GLY 24 HA2 GLY 24 -12.835 -8.575 -3.424 187 HA3 GLY 24 HA3 GLY 24 -11.405 -7.987 -2.599 188 H GLY 25 H GLY 25 -9.940 -9.484 -1.891 189 HA2 GLY 25 HA2 GLY 25 -10.655 -11.922 -0.666 190 HA3 GLY 25 HA3 GLY 25 -10.279 -12.216 -2.352 191 H VAL 26 H VAL 26 -8.196 -10.733 -3.080 192 HA VAL 26 HA VAL 26 -5.988 -11.903 -2.121 193 HB VAL 26 HB VAL 26 -6.317 -9.056 -3.085 194 HG11 VAL 26 HG11 VAL 26 -4.171 -9.198 -2.024 195 HG12 VAL 26 HG12 VAL 26 -3.829 -10.767 -2.793 196 HG13 VAL 26 HG13 VAL 26 -3.908 -9.289 -3.783 197 HG21 VAL 26 HG21 VAL 26 -7.027 -10.219 -4.906 198 HG22 VAL 26 HG22 VAL 26 -5.276 -10.389 -5.181 199 HG23 VAL 26 HG23 VAL 26 -6.190 -11.713 -4.419 200 HA PRO 27 HA PRO 27 -6.058 -10.299 2.002 201 HB2 PRO 27 HB2 PRO 27 -4.658 -12.348 3.148 202 HB3 PRO 27 HB3 PRO 27 -6.403 -12.352 2.986 203 HG2 PRO 27 HG2 PRO 27 -4.394 -13.860 1.428 204 HG3 PRO 27 HG3 PRO 27 -6.114 -14.156 1.578 205 HD2 PRO 27 HD2 PRO 27 -4.767 -12.962 -0.655 206 HD3 PRO 27 HD3 PRO 27 -6.498 -13.153 -0.454 207 H SER 28 H SER 28 -4.768 -8.585 0.865 208 HA SER 28 HA SER 28 -2.393 -8.343 2.302 209 HB2 SER 28 HB2 SER 28 -2.183 -9.656 -0.309 210 HB3 SER 28 HB3 SER 28 -1.258 -8.169 -0.282 211 HG SER 28 HG SER 28 0.087 -9.835 0.479 212 H LEU 29 H LEU 29 -3.513 -7.458 -1.055 213 HA LEU 29 HA LEU 29 -2.736 -4.885 -1.117 214 HB2 LEU 29 HB2 LEU 29 -3.996 -6.377 -2.817 215 HB3 LEU 29 HB3 LEU 29 -5.449 -5.683 -2.126 216 HG LEU 29 HG LEU 29 -4.011 -3.421 -2.625 217 HD11 LEU 29 HD11 LEU 29 -3.319 -5.348 -4.861 218 HD12 LEU 29 HD12 LEU 29 -2.999 -3.597 -4.838 219 HD13 LEU 29 HD13 LEU 29 -2.180 -4.666 -3.675 220 HD21 LEU 29 HD21 LEU 29 -5.770 -4.766 -4.687 221 HD22 LEU 29 HD22 LEU 29 -6.387 -3.989 -3.209 222 HD23 LEU 29 HD23 LEU 29 -5.519 -3.023 -4.426 223 H ILE 30 H ILE 30 -5.787 -6.145 0.372 224 HA ILE 30 HA ILE 30 -6.892 -3.759 1.112 225 HB ILE 30 HB ILE 30 -6.905 -6.459 2.449 226 HG12 ILE 30 HG12 ILE 30 -7.846 -6.266 0.146 227 HG13 ILE 30 HG13 ILE 30 -9.001 -6.784 1.357 228 HG21 ILE 30 HG21 ILE 30 -9.173 -5.286 3.348 229 HG22 ILE 30 HG22 ILE 30 -7.649 -5.357 4.266 230 HG23 ILE 30 HG23 ILE 30 -8.066 -3.892 3.345 231 HD11 ILE 30 HD11 ILE 30 -10.179 -5.134 0.126 232 HD12 ILE 30 HD12 ILE 30 -9.627 -4.257 1.573 233 HD13 ILE 30 HD13 ILE 30 -8.759 -4.064 0.031 234 H ALA 31 H ALA 31 -4.493 -5.761 2.957 235 HA ALA 31 HA ALA 31 -4.298 -4.075 5.143 236 HB1 ALA 31 HB1 ALA 31 -3.409 -6.352 5.089 237 HB2 ALA 31 HB2 ALA 31 -2.232 -5.891 3.836 238 HB3 ALA 31 HB3 ALA 31 -2.101 -5.209 5.475 239 H GLY 32 H GLY 32 -2.845 -3.911 1.882 240 HA2 GLY 32 HA2 GLY 32 -0.922 -1.912 2.492 241 HA3 GLY 32 HA3 GLY 32 -1.504 -2.383 0.908 242 H LEU 33 H LEU 33 -4.398 -1.906 1.669 243 HA LEU 33 HA LEU 33 -4.432 0.858 0.965 244 HB2 LEU 33 HB2 LEU 33 -5.988 -0.856 0.082 245 HB3 LEU 33 HB3 LEU 33 -6.696 -1.012 1.677 246 HG LEU 33 HG LEU 33 -6.619 1.700 0.401 247 HD11 LEU 33 HD11 LEU 33 -8.172 1.319 -1.177 248 HD12 LEU 33 HD12 LEU 33 -7.584 -0.359 -1.091 249 HD13 LEU 33 HD13 LEU 33 -9.041 0.121 -0.187 250 HD21 LEU 33 HD21 LEU 33 -8.881 1.788 1.586 251 HD22 LEU 33 HD22 LEU 33 -8.397 0.266 2.372 252 HD23 LEU 33 HD23 LEU 33 -7.422 1.737 2.606 253 H PHE 34 H PHE 34 -5.279 -1.105 3.879 254 HA PHE 34 HA PHE 34 -6.227 1.044 5.385 255 HB2 PHE 34 HB2 PHE 34 -6.074 -1.683 5.604 256 HB3 PHE 34 HB3 PHE 34 -4.688 -1.276 6.597 257 HD1 PHE 34 HD1 PHE 34 -5.294 0.804 8.291 258 HD2 PHE 34 HD2 PHE 34 -8.011 -2.078 6.769 259 HE1 PHE 34 HE1 PHE 34 -6.813 1.203 10.249 260 HE2 PHE 34 HE2 PHE 34 -9.531 -1.679 8.726 261 HZ PHE 34 HZ PHE 34 -8.914 -0.043 10.443 262 H VAL 35 H VAL 35 -2.934 -0.330 4.915 263 HA VAL 35 HA VAL 35 -1.745 1.211 6.965 264 HB VAL 35 HB VAL 35 -0.773 -0.378 4.608 265 HG11 VAL 35 HG11 VAL 35 0.989 1.178 6.533 266 HG12 VAL 35 HG12 VAL 35 1.544 0.034 5.287 267 HG13 VAL 35 HG13 VAL 35 0.746 1.552 4.809 268 HG21 VAL 35 HG21 VAL 35 0.392 -1.148 7.088 269 HG22 VAL 35 HG22 VAL 35 -1.349 -0.901 7.368 270 HG23 VAL 35 HG23 VAL 35 -0.802 -2.029 6.104 271 H GLY 36 H GLY 36 -1.432 1.487 3.348 272 HA2 GLY 36 HA2 GLY 36 -0.185 3.909 3.219 273 HA3 GLY 36 HA3 GLY 36 -1.318 3.307 2.025 274 H CYS 37 H CYS 37 -3.766 3.293 3.369 275 HA CYS 37 HA CYS 37 -4.544 5.925 3.158 276 HB2 CYS 37 HB2 CYS 37 -5.838 3.529 4.472 277 HB3 CYS 37 HB3 CYS 37 -6.616 5.098 4.451 278 HG CYS 37 HG CYS 37 -6.046 5.347 1.730 279 H LEU 38 H LEU 38 -4.206 3.892 6.168 280 HA LEU 38 HA LEU 38 -4.661 5.733 8.060 281 HB2 LEU 38 HB2 LEU 38 -4.159 3.362 8.428 282 HB3 LEU 38 HB3 LEU 38 -2.468 3.653 8.071 283 HG LEU 38 HG LEU 38 -2.396 5.228 10.036 284 HD11 LEU 38 HD11 LEU 38 -4.195 5.770 11.228 285 HD12 LEU 38 HD12 LEU 38 -5.166 5.021 9.937 286 HD13 LEU 38 HD13 LEU 38 -4.708 4.072 11.372 287 HD21 LEU 38 HD21 LEU 38 -1.789 3.551 11.453 288 HD22 LEU 38 HD22 LEU 38 -3.233 2.571 11.102 289 HD23 LEU 38 HD23 LEU 38 -1.888 2.623 9.937 290 H ALA 39 H ALA 39 -1.651 5.370 6.118 291 HA ALA 39 HA ALA 39 -0.149 7.262 7.517 292 HB1 ALA 39 HB1 ALA 39 1.396 6.579 6.032 293 HB2 ALA 39 HB2 ALA 39 0.144 5.543 5.305 294 HB3 ALA 39 HB3 ALA 39 0.429 7.179 4.664 295 H GLY 40 H GLY 40 -1.608 7.705 4.217 296 HA2 GLY 40 HA2 GLY 40 -1.415 10.443 4.112 297 HA3 GLY 40 HA3 GLY 40 -2.617 9.481 3.275 298 H TYR 41 H TYR 41 -4.579 8.755 4.658 299 HA TYR 41 HA TYR 41 -6.044 10.841 5.480 300 HB2 TYR 41 HB2 TYR 41 -6.271 8.107 5.351 301 HB3 TYR 41 HB3 TYR 41 -6.109 8.260 7.090 302 HD1 TYR 41 HD1 TYR 41 -8.106 9.660 4.241 303 HD2 TYR 41 HD2 TYR 41 -8.019 8.595 8.384 304 HE1 TYR 41 HE1 TYR 41 -10.588 10.178 4.434 305 HE2 TYR 41 HE2 TYR 41 -10.501 9.116 8.562 306 HH TYR 41 HH TYR 41 -12.369 9.406 7.342 307 H GLY 42 H GLY 42 -4.070 8.746 7.705 308 HA2 GLY 42 HA2 GLY 42 -4.613 9.975 10.087 309 HA3 GLY 42 HA3 GLY 42 -3.084 9.226 9.671 310 H ALA 43 H ALA 43 -1.889 10.794 7.809 311 HA ALA 43 HA ALA 43 -0.915 12.929 9.266 312 HB1 ALA 43 HB1 ALA 43 0.128 11.722 7.291 313 HB2 ALA 43 HB2 ALA 43 -0.945 12.673 6.237 314 HB3 ALA 43 HB3 ALA 43 0.266 13.496 7.249 315 H TYR 44 H TYR 44 -3.755 12.637 7.159 316 HA TYR 44 HA TYR 44 -4.108 15.448 6.835 317 HB2 TYR 44 HB2 TYR 44 -4.983 13.134 5.634 318 HB3 TYR 44 HB3 TYR 44 -6.328 13.373 6.732 319 HD1 TYR 44 HD2 TYR 44 -4.290 15.758 4.662 320 HD2 TYR 44 HD1 TYR 44 -8.161 14.175 5.561 321 HE1 TYR 44 HE2 TYR 44 -5.346 17.389 3.022 322 HE2 TYR 44 HE1 TYR 44 -9.204 15.811 3.919 323 HH TYR 44 HH TYR 44 -7.168 18.119 2.135 324 H ARG 45 H ARG 45 -5.082 12.985 9.216 325 HA ARG 45 HA ARG 45 -6.973 14.804 10.372 326 HB2 ARG 45 HB2 ARG 45 -6.551 11.953 10.380 327 HB3 ARG 45 HB3 ARG 45 -6.445 12.489 12.045 328 HG2 ARG 45 HG2 ARG 45 -8.675 13.005 12.154 329 HG3 ARG 45 HG3 ARG 45 -8.678 13.758 10.572 330 HD2 ARG 45 HD2 ARG 45 -10.096 11.797 10.427 331 HD3 ARG 45 HD3 ARG 45 -8.634 11.437 9.531 332 HE ARG 45 HE ARG 45 -8.045 9.830 11.146 333 HH11 ARG 45 HH22 ARG 45 -10.685 11.819 12.353 334 HH12 ARG 45 HH21 ARG 45 -10.986 10.810 13.728 335 HH21 ARG 45 HH12 ARG 45 -8.441 8.498 12.961 336 HH22 ARG 45 HH11 ARG 45 -9.701 8.908 14.076 337 H VAL 46 H VAL 46 -4.034 12.941 11.467 338 HA VAL 46 HA VAL 46 -3.777 14.475 13.839 339 HB VAL 46 HB VAL 46 -1.976 12.538 12.383 340 HG11 VAL 46 HG11 VAL 46 -1.246 14.424 14.401 341 HG12 VAL 46 HG12 VAL 46 -1.241 12.801 15.132 342 HG13 VAL 46 HG13 VAL 46 -0.263 13.127 13.680 343 HG21 VAL 46 HG21 VAL 46 -3.101 11.931 15.061 344 HG22 VAL 46 HG22 VAL 46 -4.272 12.014 13.723 345 HG23 VAL 46 HG23 VAL 46 -2.897 10.887 13.635 346 H SER 47 H SER 47 -1.601 14.208 10.934 347 HA SER 47 HA SER 47 -0.569 15.773 9.800 348 HB2 SER 47 HB2 SER 47 -2.601 17.271 10.457 349 HB3 SER 47 HB3 SER 47 -1.544 17.954 11.676 350 HG SER 47 HG SER 47 -0.283 17.836 9.208 351 H ASN 48 H ASN 48 1.577 16.653 9.932 352 HA ASN 48 HA ASN 48 2.730 17.647 12.189 353 HB2 ASN 48 HB2 ASN 48 2.306 14.931 12.612 354 HB3 ASN 48 HB3 ASN 48 3.929 14.920 11.948 355 HD21 ASN 48 HD21 ASN 48 5.610 15.937 13.012 356 HD22 ASN 48 HD22 ASN 48 5.532 16.416 14.675 357 H ASP 49 H ASP 49 2.981 15.551 9.288 358 HA ASP 49 HA ASP 49 5.084 17.226 8.315 359 HB2 ASP 49 HB2 ASP 49 5.527 14.444 9.266 360 HB3 ASP 49 HB3 ASP 49 6.116 14.732 7.641 361 H LYS 50 H LYS 50 3.214 17.678 6.834 362 HA LYS 50 HA LYS 50 2.461 15.432 5.128 363 HB2 LYS 50 HB2 LYS 50 1.022 17.557 6.272 364 HB3 LYS 50 HB3 LYS 50 1.123 17.948 4.568 365 HG2 LYS 50 HG2 LYS 50 0.338 15.596 4.033 366 HG3 LYS 50 HG3 LYS 50 0.128 15.313 5.749 367 HD2 LYS 50 HD2 LYS 50 -1.961 16.175 5.551 368 HD3 LYS 50 HD3 LYS 50 -1.221 17.745 5.309 369 HE2 LYS 50 HE2 LYS 50 -1.361 15.935 2.912 370 HE3 LYS 50 HE3 LYS 50 -2.876 16.608 3.480 371 HZ1 LYS 50 HZ1 LYS 50 -2.311 18.532 2.609 372 HZ2 LYS 50 HZ2 LYS 50 -0.916 18.601 3.455 373 HZ3 LYS 50 HZ3 LYS 50 -0.949 17.874 1.993 374 H ARG 51 H ARG 51 1.777 17.071 2.830 375 HA ARG 51 HA ARG 51 2.635 17.842 1.003 376 HB2 ARG 51 HB2 ARG 51 4.272 19.159 3.066 377 HB3 ARG 51 HB3 ARG 51 5.178 18.949 1.581 378 HG2 ARG 51 HG2 ARG 51 3.198 19.967 0.325 379 HG3 ARG 51 HG3 ARG 51 2.469 20.326 1.877 380 HD2 ARG 51 HD2 ARG 51 4.680 21.562 2.459 381 HD3 ARG 51 HD3 ARG 51 5.084 21.425 0.759 382 HE ARG 51 HE ARG 51 3.505 23.084 0.273 383 HH11 ARG 51 HH22 ARG 51 2.867 21.794 3.485 384 HH12 ARG 51 HH21 ARG 51 1.651 22.971 3.855 385 HH21 ARG 51 HH12 ARG 51 1.901 24.636 0.762 386 HH22 ARG 51 HH11 ARG 51 1.098 24.598 2.296 387 H ASP 52 H ASP 52 3.724 16.807 -0.690 388 HA ASP 52 HA ASP 52 5.114 15.510 -1.743 389 HB2 ASP 52 HB2 ASP 52 6.891 15.282 0.716 390 HB3 ASP 52 HB3 ASP 52 7.363 15.111 -0.963 391 H VAL 53 H VAL 53 4.767 13.296 -2.101 392 HA VAL 53 HA VAL 53 3.541 11.764 -0.053 393 HB VAL 53 HB VAL 53 2.977 11.619 -2.437 394 HG11 VAL 53 HG11 VAL 53 5.605 11.704 -2.984 395 HG12 VAL 53 HG12 VAL 53 5.363 9.942 -3.048 396 HG13 VAL 53 HG13 VAL 53 4.408 11.011 -4.104 397 HG21 VAL 53 HG21 VAL 53 3.557 8.914 -2.426 398 HG22 VAL 53 HG22 VAL 53 3.605 9.342 -0.699 399 HG23 VAL 53 HG23 VAL 53 2.147 9.684 -1.661 400 H LYS 54 H LYS 54 5.602 12.367 1.373 401 HA LYS 54 HA LYS 54 7.777 10.513 0.876 402 HB2 LYS 54 HB2 LYS 54 7.711 13.070 1.843 403 HB3 LYS 54 HB3 LYS 54 7.780 12.154 3.335 404 HG2 LYS 54 HG2 LYS 54 9.833 11.082 2.726 405 HG3 LYS 54 HG3 LYS 54 9.651 11.495 1.033 406 HD2 LYS 54 HD2 LYS 54 11.068 13.223 1.513 407 HD3 LYS 54 HD3 LYS 54 9.640 14.008 2.158 408 HE2 LYS 54 HE2 LYS 54 10.236 12.712 4.387 409 HE3 LYS 54 HE3 LYS 54 11.824 12.535 3.665 410 HZ1 LYS 54 HZ1 LYS 54 12.230 14.708 3.885 411 HZ2 LYS 54 HZ2 LYS 54 10.703 15.180 3.550 412 HZ3 LYS 54 HZ3 LYS 54 11.084 14.648 5.046 413 H VAL 55 H VAL 55 5.153 11.163 3.266 414 HA VAL 55 HA VAL 55 5.717 9.375 5.193 415 HB VAL 55 HB VAL 55 3.092 10.080 3.882 416 HG11 VAL 55 HG11 VAL 55 2.213 9.280 6.236 417 HG12 VAL 55 HG12 VAL 55 2.440 8.118 4.907 418 HG13 VAL 55 HG13 VAL 55 3.664 8.250 6.192 419 HG21 VAL 55 HG21 VAL 55 4.451 11.013 6.433 420 HG22 VAL 55 HG22 VAL 55 4.236 11.948 4.934 421 HG23 VAL 55 HG23 VAL 55 2.818 11.489 5.908 422 H SER 56 H SER 56 3.936 8.612 2.115 423 HA SER 56 HA SER 56 3.571 5.978 2.535 424 HB2 SER 56 HB2 SER 56 3.239 7.724 0.416 425 HB3 SER 56 HB3 SER 56 4.460 6.642 -0.223 426 HG SER 56 HG SER 56 2.098 6.048 -0.529 427 H LEU 57 H LEU 57 6.503 7.631 1.199 428 HA LEU 57 HA LEU 57 7.953 5.356 0.582 429 HB2 LEU 57 HB2 LEU 57 8.440 7.704 -0.080 430 HB3 LEU 57 HB3 LEU 57 8.998 8.019 1.551 431 HG LEU 57 HG LEU 57 10.505 5.826 0.880 432 HD11 LEU 57 HD11 LEU 57 11.157 7.240 -1.530 433 HD12 LEU 57 HD12 LEU 57 10.713 5.530 -1.306 434 HD13 LEU 57 HD13 LEU 57 9.446 6.751 -1.573 435 HD21 LEU 57 HD21 LEU 57 11.749 7.427 1.869 436 HD22 LEU 57 HD22 LEU 57 12.192 7.815 0.190 437 HD23 LEU 57 HD23 LEU 57 10.926 8.755 1.017 438 H PHE 58 H PHE 58 7.485 7.097 3.687 439 HA PHE 58 HA PHE 58 9.421 5.534 5.057 440 HB2 PHE 58 HB2 PHE 58 7.299 7.609 5.566 441 HB3 PHE 58 HB3 PHE 58 7.648 6.581 6.942 442 HD1 PHE 58 HD1 PHE 58 9.687 8.300 4.315 443 HD2 PHE 58 HD2 PHE 58 9.095 7.532 8.446 444 HE1 PHE 58 HE1 PHE 58 11.686 9.715 4.864 445 HE2 PHE 58 HE2 PHE 58 11.094 8.947 8.996 446 HZ PHE 58 HZ PHE 58 12.366 10.022 7.198 447 H THR 59 H THR 59 6.075 5.088 4.105 448 HA THR 59 HA THR 59 5.453 3.216 6.190 449 HB THR 59 HB THR 59 4.147 4.181 3.607 450 HG1 THR 59 HG1 THR 59 3.332 5.500 5.183 451 HG21 THR 59 HG21 THR 59 2.256 2.819 5.249 452 HG22 THR 59 HG22 THR 59 2.784 2.346 3.616 453 HG23 THR 59 HG23 THR 59 3.616 1.688 5.045 454 H ALA 60 H ALA 60 6.568 3.049 2.776 455 HA ALA 60 HA ALA 60 6.363 0.215 2.689 456 HB1 ALA 60 HB1 ALA 60 8.240 1.195 0.776 457 HB2 ALA 60 HB2 ALA 60 6.543 0.731 0.511 458 HB3 ALA 60 HB3 ALA 60 6.951 2.413 0.924 459 H PHE 61 H PHE 61 9.037 2.596 3.221 460 HA PHE 61 HA PHE 61 11.080 0.724 3.390 461 HB2 PHE 61 HB2 PHE 61 10.847 3.434 3.392 462 HB3 PHE 61 HB3 PHE 61 10.933 3.220 5.129 463 HD1 PHE 61 HD2 PHE 61 12.776 2.954 1.981 464 HD2 PHE 61 HD1 PHE 61 12.986 2.478 6.192 465 HE1 PHE 61 HE2 PHE 61 15.281 2.865 1.846 466 HE2 PHE 61 HE1 PHE 61 15.491 2.389 6.058 467 HZ PHE 61 HZ PHE 61 16.608 2.584 3.886 468 H PHE 62 H PHE 62 9.043 2.228 5.993 469 HA PHE 62 HA PHE 62 10.291 0.911 8.103 470 HB2 PHE 62 HB2 PHE 62 8.768 2.870 8.317 471 HB3 PHE 62 HB3 PHE 62 7.450 1.971 7.591 472 HD1 PHE 62 HD2 PHE 62 9.831 1.301 10.400 473 HD2 PHE 62 HD1 PHE 62 5.793 1.502 9.109 474 HE1 PHE 62 HE2 PHE 62 9.066 0.581 12.680 475 HE2 PHE 62 HE1 PHE 62 5.029 0.782 11.389 476 HZ PHE 62 HZ PHE 62 6.674 0.330 13.147 477 H LEU 63 H LEU 63 7.118 0.154 6.480 478 HA LEU 63 HA LEU 63 6.459 -2.093 7.805 479 HB2 LEU 63 HB2 LEU 63 5.178 -0.938 6.019 480 HB3 LEU 63 HB3 LEU 63 6.218 -1.684 4.822 481 HG LEU 63 HG LEU 63 5.456 -3.936 5.862 482 HD11 LEU 63 HD11 LEU 63 3.306 -3.958 6.946 483 HD12 LEU 63 HD12 LEU 63 4.411 -2.906 7.864 484 HD13 LEU 63 HD13 LEU 63 3.170 -2.188 6.809 485 HD21 LEU 63 HD21 LEU 63 3.150 -3.569 4.547 486 HD22 LEU 63 HD22 LEU 63 4.028 -2.124 3.989 487 HD23 LEU 63 HD23 LEU 63 4.721 -3.742 3.728 488 H ALA 64 H ALA 64 8.600 -1.976 4.870 489 HA ALA 64 HA ALA 64 9.202 -4.650 4.768 490 HB1 ALA 64 HB1 ALA 64 11.520 -3.022 4.144 491 HB2 ALA 64 HB2 ALA 64 10.428 -3.896 3.043 492 HB3 ALA 64 HB3 ALA 64 10.038 -2.235 3.551 493 H THR 65 H THR 65 10.895 -2.015 6.602 494 HA THR 65 HA THR 65 12.879 -3.608 7.710 495 HB THR 65 HB THR 65 11.464 -1.030 8.508 496 HG1 THR 65 HG1 THR 65 14.070 -1.966 7.539 497 HG21 THR 65 HG21 THR 65 13.958 -2.245 9.809 498 HG22 THR 65 HG22 THR 65 13.237 -0.659 10.175 499 HG23 THR 65 HG23 THR 65 12.368 -2.152 10.604 500 H ILE 66 H ILE 66 9.444 -3.308 8.532 501 HA ILE 66 HA ILE 66 9.783 -4.598 11.066 502 HB ILE 66 HB ILE 66 7.331 -3.947 9.428 503 HG12 ILE 66 HG12 ILE 66 8.229 -1.885 9.991 504 HG13 ILE 66 HG13 ILE 66 7.111 -2.188 11.306 505 HG21 ILE 66 HG21 ILE 66 5.976 -4.620 11.167 506 HG22 ILE 66 HG22 ILE 66 7.246 -5.866 11.199 507 HG23 ILE 66 HG23 ILE 66 7.284 -4.528 12.371 508 HD11 ILE 66 HD11 ILE 66 9.213 -3.301 12.481 509 HD12 ILE 66 HD12 ILE 66 10.130 -2.318 11.314 510 HD13 ILE 66 HD13 ILE 66 9.033 -1.530 12.474 511 H MET 67 H MET 67 9.215 -5.524 7.692 512 HA MET 67 HA MET 67 8.365 -8.147 8.409 513 HB2 MET 67 HB2 MET 67 8.618 -6.467 6.003 514 HB3 MET 67 HB3 MET 67 9.226 -8.080 5.685 515 HG2 MET 67 HG2 MET 67 7.125 -9.108 6.296 516 HG3 MET 67 HG3 MET 67 6.532 -7.636 7.040 517 HE1 MET 67 HE1 MET 67 5.746 -9.307 3.248 518 HE2 MET 67 HE2 MET 67 5.722 -9.766 4.968 519 HE3 MET 67 HE3 MET 67 4.426 -8.744 4.301 520 H GLY 68 H GLY 68 11.285 -6.752 6.738 521 HA2 GLY 68 HA2 GLY 68 13.468 -7.364 6.987 522 HA3 GLY 68 HA3 GLY 68 13.001 -8.646 8.086 523 H VAL 69 H VAL 69 12.461 -7.755 4.595 524 HA VAL 69 HA VAL 69 13.580 -10.287 3.800 525 HB VAL 69 HB VAL 69 11.246 -10.843 4.362 526 HG11 VAL 69 HG11 VAL 69 10.528 -8.872 2.163 527 HG12 VAL 69 HG12 VAL 69 9.399 -9.963 3.003 528 HG13 VAL 69 HG13 VAL 69 10.214 -8.661 3.903 529 HG21 VAL 69 HG21 VAL 69 10.658 -11.859 2.136 530 HG22 VAL 69 HG22 VAL 69 12.017 -10.952 1.430 531 HG23 VAL 69 HG23 VAL 69 12.321 -12.178 2.683 532 H ARG 70 H ARG 70 14.021 -10.342 1.474 533 HA ARG 70 HA ARG 70 14.848 -7.873 0.564 534 HB2 ARG 70 HB2 ARG 70 15.151 -10.586 -0.193 535 HB3 ARG 70 HB3 ARG 70 14.428 -9.828 -1.598 536 HG2 ARG 70 HG2 ARG 70 16.306 -8.595 -2.063 537 HG3 ARG 70 HG3 ARG 70 16.594 -8.208 -0.378 538 HD2 ARG 70 HD2 ARG 70 17.157 -10.905 -0.366 539 HD3 ARG 70 HD3 ARG 70 17.628 -10.495 -2.003 540 HE ARG 70 HE ARG 70 19.054 -9.788 0.390 541 HH11 ARG 70 HH22 ARG 70 18.160 -8.462 -2.745 542 HH12 ARG 70 HH21 ARG 70 19.525 -7.399 -2.827 543 HH21 ARG 70 HH12 ARG 70 20.855 -8.385 0.282 544 HH22 ARG 70 HH11 ARG 70 21.068 -7.355 -1.094 545 H PHE 71 H PHE 71 14.120 -6.660 -1.389 546 HA PHE 71 HA PHE 71 11.324 -6.315 -1.397 547 HB2 PHE 71 HB2 PHE 71 13.811 -5.287 -2.743 548 HB3 PHE 71 HB3 PHE 71 12.349 -5.083 -3.688 549 HD1 PHE 71 HD1 PHE 71 13.449 -4.581 -0.147 550 HD2 PHE 71 HD2 PHE 71 11.261 -3.073 -3.455 551 HE1 PHE 71 HE1 PHE 71 12.888 -2.516 1.165 552 HE2 PHE 71 HE2 PHE 71 10.700 -1.008 -2.143 553 HZ PHE 71 HZ PHE 71 11.520 -0.755 0.152 554 H LYS 72 H LYS 72 13.616 -7.443 -3.993 555 HA LYS 72 HA LYS 72 11.558 -9.269 -4.906 556 HB2 LYS 72 HB2 LYS 72 11.453 -8.457 -7.131 557 HB3 LYS 72 HB3 LYS 72 11.164 -7.082 -6.085 558 HG2 LYS 72 HG2 LYS 72 13.810 -6.766 -6.276 559 HG3 LYS 72 HG3 LYS 72 13.620 -7.732 -7.726 560 HD2 LYS 72 HD2 LYS 72 11.932 -6.126 -8.601 561 HD3 LYS 72 HD3 LYS 72 12.052 -5.176 -7.133 562 HE2 LYS 72 HE2 LYS 72 14.242 -4.418 -7.638 563 HE3 LYS 72 HE3 LYS 72 14.564 -5.752 -8.728 564 HZ1 LYS 72 HZ1 LYS 72 13.339 -3.264 -9.276 565 HZ2 LYS 72 HZ2 LYS 72 13.976 -4.353 -10.312 566 HZ3 LYS 72 HZ3 LYS 72 12.427 -4.505 -9.818 567 H ARG 73 H ARG 73 12.419 -11.143 -5.783 568 HA ARG 73 HA ARG 73 14.907 -11.298 -6.925 569 HB2 ARG 73 HB2 ARG 73 15.580 -10.807 -4.471 570 HB3 ARG 73 HB3 ARG 73 14.949 -12.393 -4.074 571 HG2 ARG 73 HG2 ARG 73 16.932 -12.143 -6.345 572 HG3 ARG 73 HG3 ARG 73 17.523 -12.067 -4.697 573 HD2 ARG 73 HD2 ARG 73 15.734 -14.263 -4.699 574 HD3 ARG 73 HD3 ARG 73 16.588 -14.396 -6.223 575 HE ARG 73 HE ARG 73 18.521 -13.821 -4.214 576 HH11 ARG 73 HH22 ARG 73 16.317 -16.413 -5.112 577 HH12 ARG 73 HH21 ARG 73 17.303 -17.661 -4.425 578 HH21 ARG 73 HH12 ARG 73 19.822 -15.467 -3.308 579 HH22 ARG 73 HH11 ARG 73 19.309 -17.119 -3.393 580 H SER 74 H SER 74 12.599 -12.964 -4.683 581 HA SER 74 HA SER 74 13.080 -15.498 -5.811 582 HB2 SER 74 HB2 SER 74 11.517 -14.355 -3.648 583 HB3 SER 74 HB3 SER 74 10.507 -15.454 -4.567 584 HG SER 74 HG SER 74 11.800 -17.167 -4.057 585 H LYS 75 H LYS 75 12.338 -16.255 -7.758 586 HA LYS 75 HA LYS 75 10.585 -14.694 -9.326 587 HB2 LYS 75 HB2 LYS 75 11.785 -17.452 -9.635 588 HB3 LYS 75 HB3 LYS 75 10.691 -16.773 -10.822 589 HG2 LYS 75 HG2 LYS 75 12.459 -15.695 -11.744 590 HG3 LYS 75 HG3 LYS 75 12.534 -14.692 -10.309 591 HD2 LYS 75 HD2 LYS 75 13.766 -17.135 -9.553 592 HD3 LYS 75 HD3 LYS 75 14.354 -16.818 -11.173 593 HE2 LYS 75 HE2 LYS 75 14.514 -14.297 -9.987 594 HE3 LYS 75 HE3 LYS 75 14.908 -15.360 -8.651 595 HZ1 LYS 75 HZ1 LYS 75 16.698 -16.218 -9.791 596 HZ2 LYS 75 HZ2 LYS 75 16.167 -15.738 -11.259 597 HZ3 LYS 75 HZ3 LYS 75 16.755 -14.639 -10.204 598 H LYS 76 H LYS 76 8.499 -14.390 -8.701 599 HA LYS 76 HA LYS 76 6.393 -14.858 -8.237 600 HB2 LYS 76 HB2 LYS 76 7.208 -17.594 -9.233 601 HB3 LYS 76 HB3 LYS 76 5.575 -17.241 -8.706 602 HG2 LYS 76 HG2 LYS 76 5.103 -16.202 -10.667 603 HG3 LYS 76 HG3 LYS 76 6.463 -15.114 -10.471 604 HD2 LYS 76 HD2 LYS 76 7.755 -17.460 -11.173 605 HD3 LYS 76 HD3 LYS 76 6.257 -17.619 -12.069 606 HE2 LYS 76 HE2 LYS 76 7.384 -16.359 -13.634 607 HE3 LYS 76 HE3 LYS 76 6.816 -15.020 -12.656 608 HZ1 LYS 76 HZ1 LYS 76 9.462 -16.063 -12.928 609 HZ2 LYS 76 HZ2 LYS 76 8.971 -14.558 -12.525 610 HZ3 LYS 76 HZ3 LYS 76 9.045 -15.726 -11.385 611 H ILE 77 H ILE 77 4.944 -16.358 -6.714 612 HA ILE 77 HA ILE 77 4.544 -16.966 -4.631 613 HB ILE 77 HB ILE 77 7.289 -18.216 -4.797 614 HG12 ILE 77 HG12 ILE 77 4.591 -19.457 -5.401 615 HG13 ILE 77 HG13 ILE 77 5.684 -18.844 -6.626 616 HG21 ILE 77 HG21 ILE 77 6.890 -19.353 -2.874 617 HG22 ILE 77 HG22 ILE 77 5.943 -17.889 -2.513 618 HG23 ILE 77 HG23 ILE 77 5.124 -19.356 -3.102 619 HD11 ILE 77 HD11 ILE 77 6.327 -21.042 -4.605 620 HD12 ILE 77 HD12 ILE 77 6.002 -21.272 -6.340 621 HD13 ILE 77 HD13 ILE 77 7.465 -20.403 -5.817 622 H MET 78 H MET 78 4.845 -14.424 -4.552 623 HA MET 78 HA MET 78 6.046 -13.927 -2.082 624 HB2 MET 78 HB2 MET 78 7.632 -13.409 -4.557 625 HB3 MET 78 HB3 MET 78 7.519 -12.013 -3.503 626 HG2 MET 78 HG2 MET 78 8.058 -14.046 -1.683 627 HG3 MET 78 HG3 MET 78 8.962 -14.579 -3.086 628 HE1 MET 78 HE1 MET 78 10.863 -12.194 -0.160 629 HE2 MET 78 HE2 MET 78 9.192 -12.776 0.033 630 HE3 MET 78 HE3 MET 78 10.475 -13.903 -0.471 631 HA PRO 79 HA PRO 79 3.353 -10.543 -2.435 632 HB2 PRO 79 HB2 PRO 79 4.332 -8.781 -0.589 633 HB3 PRO 79 HB3 PRO 79 3.359 -10.175 -0.162 634 HG2 PRO 79 HG2 PRO 79 6.273 -9.782 0.148 635 HG3 PRO 79 HG3 PRO 79 5.233 -10.953 0.935 636 HD2 PRO 79 HD2 PRO 79 7.036 -11.447 -1.240 637 HD3 PRO 79 HD3 PRO 79 5.913 -12.589 -0.530 638 H ALA 80 H ALA 80 4.811 -10.567 -4.641 639 HA ALA 80 HA ALA 80 6.312 -8.178 -4.924 640 HB1 ALA 80 HB1 ALA 80 5.547 -9.029 -7.469 641 HB2 ALA 80 HB2 ALA 80 7.014 -9.525 -6.591 642 HB3 ALA 80 HB3 ALA 80 5.544 -10.525 -6.504 643 H GLY 81 H GLY 81 3.082 -9.230 -6.233 644 HA2 GLY 81 HA2 GLY 81 2.214 -7.050 -7.502 645 HA3 GLY 81 HA3 GLY 81 1.180 -8.007 -6.460 646 H LEU 82 H LEU 82 2.055 -7.475 -3.891 647 HA LEU 82 HA LEU 82 0.813 -5.175 -3.214 648 HB2 LEU 82 HB2 LEU 82 2.882 -6.887 -1.938 649 HB3 LEU 82 HB3 LEU 82 2.576 -5.322 -1.212 650 HG LEU 82 HG LEU 82 0.273 -7.158 -1.818 651 HD11 LEU 82 HD11 LEU 82 0.672 -7.792 0.741 652 HD12 LEU 82 HD12 LEU 82 1.363 -8.736 -0.600 653 HD13 LEU 82 HD13 LEU 82 2.368 -7.547 0.262 654 HD21 LEU 82 HD21 LEU 82 -0.914 -5.621 -0.748 655 HD22 LEU 82 HD22 LEU 82 0.152 -5.719 0.674 656 HD23 LEU 82 HD23 LEU 82 0.546 -4.607 -0.659 657 H VAL 83 H VAL 83 4.396 -5.561 -3.689 658 HA VAL 83 HA VAL 83 5.020 -2.892 -3.303 659 HB VAL 83 HB VAL 83 6.312 -5.082 -4.932 660 HG11 VAL 83 HG11 VAL 83 8.381 -3.657 -4.823 661 HG12 VAL 83 HG12 VAL 83 7.100 -3.025 -5.885 662 HG13 VAL 83 HG13 VAL 83 7.355 -2.310 -4.275 663 HG21 VAL 83 HG21 VAL 83 6.300 -5.631 -2.614 664 HG22 VAL 83 HG22 VAL 83 7.934 -5.029 -2.983 665 HG23 VAL 83 HG23 VAL 83 6.767 -3.978 -2.147 666 H ALA 84 H ALA 84 3.901 -4.674 -6.217 667 HA ALA 84 HA ALA 84 4.355 -2.609 -8.045 668 HB1 ALA 84 HB1 ALA 84 3.864 -4.456 -9.250 669 HB2 ALA 84 HB2 ALA 84 2.957 -5.192 -7.907 670 HB3 ALA 84 HB3 ALA 84 2.158 -4.024 -8.986 671 H GLY 85 H GLY 85 1.807 -3.217 -5.641 672 HA2 GLY 85 HA2 GLY 85 -0.099 -1.400 -6.722 673 HA3 GLY 85 HA3 GLY 85 -0.069 -2.082 -5.108 674 H LEU 86 H LEU 86 2.020 -1.194 -3.765 675 HA LEU 86 HA LEU 86 1.495 1.379 -3.098 676 HB2 LEU 86 HB2 LEU 86 3.606 -0.567 -2.620 677 HB3 LEU 86 HB3 LEU 86 4.210 1.078 -2.586 678 HG LEU 86 HG LEU 86 3.666 0.611 -0.366 679 HD11 LEU 86 HD11 LEU 86 1.033 1.848 -0.942 680 HD12 LEU 86 HD12 LEU 86 2.339 2.365 0.151 681 HD13 LEU 86 HD13 LEU 86 2.464 2.680 -1.597 682 HD21 LEU 86 HD21 LEU 86 2.063 -0.786 0.410 683 HD22 LEU 86 HD22 LEU 86 0.861 -0.267 -0.796 684 HD23 LEU 86 HD23 LEU 86 2.146 -1.410 -1.255 685 H SER 87 H SER 87 3.874 0.184 -5.540 686 HA SER 87 HA SER 87 4.962 2.644 -6.115 687 HB2 SER 87 HB2 SER 87 4.875 -0.038 -7.337 688 HB3 SER 87 HB3 SER 87 5.006 1.233 -8.537 689 HG SER 87 HG SER 87 7.011 0.232 -7.226 690 H LEU 88 H LEU 88 2.416 0.813 -7.978 691 HA LEU 88 HA LEU 88 1.790 2.676 -9.827 692 HB2 LEU 88 HB2 LEU 88 0.524 0.380 -8.608 693 HB3 LEU 88 HB3 LEU 88 -0.668 1.596 -9.021 694 HG LEU 88 HG LEU 88 0.489 1.632 -11.349 695 HD11 LEU 88 HD11 LEU 88 2.450 0.283 -10.593 696 HD12 LEU 88 HD12 LEU 88 1.366 -1.121 -10.442 697 HD13 LEU 88 HD13 LEU 88 1.625 -0.364 -12.032 698 HD21 LEU 88 HD21 LEU 88 -1.619 0.052 -10.208 699 HD22 LEU 88 HD22 LEU 88 -1.475 0.734 -11.846 700 HD23 LEU 88 HD23 LEU 88 -0.805 -0.877 -11.490 701 H MET 89 H MET 89 0.508 2.493 -6.444 702 HA MET 89 HA MET 89 -1.234 4.565 -6.589 703 HB2 MET 89 HB2 MET 89 0.529 3.386 -4.421 704 HB3 MET 89 HB3 MET 89 -0.355 4.850 -4.042 705 HG2 MET 89 HG2 MET 89 -1.983 2.749 -5.397 706 HG3 MET 89 HG3 MET 89 -1.386 2.293 -3.813 707 HE1 MET 89 HE1 MET 89 -3.343 2.913 -1.714 708 HE2 MET 89 HE2 MET 89 -1.620 3.343 -1.831 709 HE3 MET 89 HE3 MET 89 -2.812 4.570 -1.341 710 H MET 90 H MET 90 2.224 4.765 -5.459 711 HA MET 90 HA MET 90 2.360 7.415 -5.051 712 HB2 MET 90 HB2 MET 90 4.248 5.242 -5.868 713 HB3 MET 90 HB3 MET 90 4.831 6.857 -6.223 714 HG2 MET 90 HG2 MET 90 4.476 7.531 -3.852 715 HG3 MET 90 HG3 MET 90 3.823 5.947 -3.483 716 HE1 MET 90 HE1 MET 90 4.928 4.969 -2.023 717 HE2 MET 90 HE2 MET 90 5.783 3.697 -2.928 718 HE3 MET 90 HE3 MET 90 6.679 4.740 -1.799 719 H ILE 91 H ILE 91 3.032 5.723 -8.200 720 HA ILE 91 HA ILE 91 3.664 7.908 -9.707 721 HB ILE 91 HB ILE 91 2.187 5.378 -10.422 722 HG12 ILE 91 HG12 ILE 91 4.995 5.911 -11.246 723 HG13 ILE 91 HG13 ILE 91 4.726 5.628 -9.537 724 HG21 ILE 91 HG21 ILE 91 2.738 7.753 -12.045 725 HG22 ILE 91 HG22 ILE 91 3.400 6.251 -12.735 726 HG23 ILE 91 HG23 ILE 91 1.665 6.367 -12.355 727 HD11 ILE 91 HD11 ILE 91 5.195 3.534 -10.905 728 HD12 ILE 91 HD12 ILE 91 3.686 3.478 -9.962 729 HD13 ILE 91 HD13 ILE 91 3.630 3.792 -11.713 730 H LEU 92 H LEU 92 0.344 6.457 -9.362 731 HA LEU 92 HA LEU 92 -0.988 8.422 -10.748 732 HB2 LEU 92 HB2 LEU 92 -1.650 6.322 -8.797 733 HB3 LEU 92 HB3 LEU 92 -2.795 7.647 -8.852 734 HG LEU 92 HG LEU 92 -3.324 5.671 -10.318 735 HD11 LEU 92 HD11 LEU 92 -3.101 8.462 -11.442 736 HD12 LEU 92 HD12 LEU 92 -3.865 7.134 -12.349 737 HD13 LEU 92 HD13 LEU 92 -4.526 7.631 -10.773 738 HD21 LEU 92 HD21 LEU 92 -1.477 6.611 -12.426 739 HD22 LEU 92 HD22 LEU 92 -0.722 5.745 -11.067 740 HD23 LEU 92 HD23 LEU 92 -2.016 4.967 -12.009 741 H ARG 93 H ARG 93 0.392 8.448 -7.485 742 HA ARG 93 HA ARG 93 -1.104 10.596 -6.546 743 HB2 ARG 93 HB2 ARG 93 0.606 8.864 -5.379 744 HB3 ARG 93 HB3 ARG 93 1.745 10.173 -5.630 745 HG2 ARG 93 HG2 ARG 93 0.907 10.756 -3.533 746 HG3 ARG 93 HG3 ARG 93 -0.174 11.675 -4.561 747 HD2 ARG 93 HD2 ARG 93 -1.679 9.500 -4.511 748 HD3 ARG 93 HD3 ARG 93 -0.721 9.064 -3.111 749 HE ARG 93 HE ARG 93 -1.710 11.800 -2.939 750 HH11 ARG 93 HH22 ARG 93 -2.582 8.430 -2.425 751 HH12 ARG 93 HH21 ARG 93 -3.804 8.792 -1.252 752 HH21 ARG 93 HH12 ARG 93 -3.322 12.278 -1.392 753 HH22 ARG 93 HH11 ARG 93 -4.228 10.996 -0.661 754 H LEU 94 H LEU 94 1.997 10.306 -8.349 755 HA LEU 94 HA LEU 94 3.046 12.781 -8.103 756 HB2 LEU 94 HB2 LEU 94 3.447 10.574 -9.693 757 HB3 LEU 94 HB3 LEU 94 3.027 11.806 -10.867 758 HG LEU 94 HG LEU 94 5.396 11.772 -10.677 759 HD11 LEU 94 HD11 LEU 94 5.346 14.137 -9.068 760 HD12 LEU 94 HD12 LEU 94 5.459 13.981 -10.838 761 HD13 LEU 94 HD13 LEU 94 3.865 14.078 -10.052 762 HD21 LEU 94 HD21 LEU 94 5.146 10.759 -8.228 763 HD22 LEU 94 HD22 LEU 94 6.639 11.554 -8.784 764 HD23 LEU 94 HD23 LEU 94 5.476 12.449 -7.776 765 H VAL 95 H VAL 95 0.332 11.784 -10.273 766 HA VAL 95 HA VAL 95 0.013 14.492 -11.191 767 HB VAL 95 HB VAL 95 -1.502 11.917 -11.635 768 HG11 VAL 95 HG11 VAL 95 -1.961 14.534 -13.095 769 HG12 VAL 95 HG12 VAL 95 -2.886 13.020 -13.238 770 HG13 VAL 95 HG13 VAL 95 -2.970 13.975 -11.739 771 HG21 VAL 95 HG21 VAL 95 0.511 11.743 -12.799 772 HG22 VAL 95 HG22 VAL 95 -0.597 12.403 -14.025 773 HG23 VAL 95 HG23 VAL 95 0.552 13.478 -13.194 774 H LEU 96 H LEU 96 -1.772 12.138 -9.094 775 HA LEU 96 HA LEU 96 -3.978 13.546 -8.493 776 HB2 LEU 96 HB2 LEU 96 -2.770 11.303 -7.556 777 HB3 LEU 96 HB3 LEU 96 -2.622 12.351 -6.160 778 HG LEU 96 HG LEU 96 -4.612 11.019 -5.952 779 HD11 LEU 96 HD11 LEU 96 -4.543 13.597 -5.417 780 HD12 LEU 96 HD12 LEU 96 -5.776 13.673 -6.699 781 HD13 LEU 96 HD13 LEU 96 -6.050 12.663 -5.259 782 HD21 LEU 96 HD21 LEU 96 -6.415 10.992 -7.536 783 HD22 LEU 96 HD22 LEU 96 -5.606 12.206 -8.555 784 HD23 LEU 96 HD23 LEU 96 -4.908 10.577 -8.387 785 H LEU 97 H LEU 97 -0.636 14.223 -7.439 786 HA LEU 97 HA LEU 97 -1.003 15.903 -5.362 787 HB2 LEU 97 HB2 LEU 97 1.083 15.158 -6.850 788 HB3 LEU 97 HB3 LEU 97 0.880 16.776 -7.492 789 HG LEU 97 HG LEU 97 0.813 17.368 -4.867 790 HD11 LEU 97 HD11 LEU 97 2.764 15.060 -4.951 791 HD12 LEU 97 HD12 LEU 97 2.257 16.034 -3.549 792 HD13 LEU 97 HD13 LEU 97 1.106 14.915 -4.318 793 HD21 LEU 97 HD21 LEU 97 2.607 18.551 -5.432 794 HD22 LEU 97 HD22 LEU 97 3.587 17.084 -5.668 795 HD23 LEU 97 HD23 LEU 97 2.582 17.707 -6.999 796 H LEU 98 H LEU 98 -1.274 16.770 -8.872 797 HA LEU 98 HA LEU 98 -1.830 19.435 -8.554 798 HB2 LEU 98 HB2 LEU 98 -1.366 18.519 -10.689 799 HB3 LEU 98 HB3 LEU 98 -2.725 17.415 -10.601 800 HG LEU 98 HG LEU 98 -3.986 19.843 -10.372 801 HD11 LEU 98 HD11 LEU 98 -1.367 20.392 -11.425 802 HD12 LEU 98 HD12 LEU 98 -2.600 20.727 -12.665 803 HD13 LEU 98 HD13 LEU 98 -2.705 21.512 -11.071 804 HD21 LEU 98 HD21 LEU 98 -5.086 18.600 -11.868 805 HD22 LEU 98 HD22 LEU 98 -4.050 19.388 -13.082 806 HD23 LEU 98 HD23 LEU 98 -3.604 17.792 -12.432 807 H LEU 99 H LEU 99 -4.079 16.608 -8.424 808 HA LEU 99 HA LEU 99 -6.458 17.887 -8.272 809 HB2 LEU 99 HB2 LEU 99 -5.689 15.361 -8.086 810 HB3 LEU 99 HB3 LEU 99 -5.920 15.649 -6.373 811 HG LEU 99 HG LEU 99 -8.268 16.562 -7.113 812 HD11 LEU 99 HD11 LEU 99 -7.506 14.825 -9.475 813 HD12 LEU 99 HD12 LEU 99 -9.164 15.342 -9.083 814 HD13 LEU 99 HD13 LEU 99 -7.928 16.554 -9.496 815 HD21 LEU 99 HD21 LEU 99 -7.789 13.578 -7.231 816 HD22 LEU 99 HD22 LEU 99 -7.719 14.525 -5.726 817 HD23 LEU 99 HD23 LEU 99 -9.234 14.444 -6.656 Start of MODEL 4 1 H MET 1 H1 MET 1 -8.912 -13.805 -22.850 2 HA MET 1 HA MET 1 -10.539 -13.011 -20.682 3 HB2 MET 1 HB2 MET 1 -8.741 -11.102 -21.122 4 HB3 MET 1 HB3 MET 1 -9.692 -10.755 -22.553 5 HG2 MET 1 HG2 MET 1 -10.807 -9.363 -21.075 6 HG3 MET 1 HG3 MET 1 -11.725 -10.825 -20.773 7 HE1 MET 1 HE1 MET 1 -11.543 -8.650 -18.042 8 HE2 MET 1 HE2 MET 1 -9.806 -8.280 -17.918 9 HE3 MET 1 HE3 MET 1 -10.651 -8.078 -19.472 10 H ASP 2 H ASP 2 -12.641 -13.299 -21.326 11 HA ASP 2 HA ASP 2 -13.185 -14.149 -23.891 12 HB2 ASP 2 HB2 ASP 2 -14.718 -13.438 -21.443 13 HB3 ASP 2 HB3 ASP 2 -15.638 -13.268 -22.925 14 H LEU 3 H LEU 3 -14.533 -13.065 -25.581 15 HA LEU 3 HA LEU 3 -14.787 -10.178 -25.286 16 HB2 LEU 3 HB2 LEU 3 -13.678 -9.687 -27.320 17 HB3 LEU 3 HB3 LEU 3 -12.586 -10.608 -26.305 18 HG LEU 3 HG LEU 3 -13.835 -12.554 -27.865 19 HD11 LEU 3 HD11 LEU 3 -13.672 -11.829 -30.156 20 HD12 LEU 3 HD12 LEU 3 -14.765 -10.734 -29.276 21 HD13 LEU 3 HD13 LEU 3 -13.103 -10.220 -29.652 22 HD21 LEU 3 HD21 LEU 3 -11.177 -11.359 -27.547 23 HD22 LEU 3 HD22 LEU 3 -11.668 -13.065 -27.673 24 HD23 LEU 3 HD23 LEU 3 -11.448 -12.091 -29.146 25 H ILE 4 H ILE 4 -16.969 -9.981 -25.422 26 HA ILE 4 HA ILE 4 -18.257 -10.462 -27.847 27 HB ILE 4 HB ILE 4 -18.055 -12.808 -27.259 28 HG12 ILE 4 HG12 ILE 4 -20.942 -11.988 -26.889 29 HG13 ILE 4 HG13 ILE 4 -20.106 -11.804 -28.418 30 HG21 ILE 4 HG21 ILE 4 -19.681 -12.176 -24.782 31 HG22 ILE 4 HG22 ILE 4 -19.086 -13.770 -25.303 32 HG23 ILE 4 HG23 ILE 4 -17.933 -12.510 -24.800 33 HD11 ILE 4 HD11 ILE 4 -20.842 -14.336 -26.948 34 HD12 ILE 4 HD12 ILE 4 -21.038 -13.934 -28.671 35 HD13 ILE 4 HD13 ILE 4 -19.429 -14.347 -28.031 36 H GLY 5 H GLY 5 -18.658 -10.366 -24.251 37 HA2 GLY 5 HA2 GLY 5 -20.476 -8.084 -24.629 38 HA3 GLY 5 HA3 GLY 5 -21.004 -9.458 -23.678 39 H PHE 6 H PHE 6 -18.013 -7.402 -24.003 40 HA PHE 6 HA PHE 6 -17.362 -7.776 -21.261 41 HB2 PHE 6 HB2 PHE 6 -15.789 -7.329 -23.242 42 HB3 PHE 6 HB3 PHE 6 -16.461 -5.715 -23.363 43 HD1 PHE 6 HD1 PHE 6 -14.793 -7.946 -20.880 44 HD2 PHE 6 HD2 PHE 6 -15.395 -3.981 -22.265 45 HE1 PHE 6 HE1 PHE 6 -13.088 -7.113 -19.237 46 HE2 PHE 6 HE2 PHE 6 -13.690 -3.148 -20.622 47 HZ PHE 6 HZ PHE 6 -12.557 -4.724 -19.128 48 H GLY 7 H GLY 7 -18.469 -4.917 -23.222 49 HA2 GLY 7 HA2 GLY 7 -18.605 -2.947 -21.435 50 HA3 GLY 7 HA3 GLY 7 -19.878 -3.243 -22.602 51 H TYR 8 H TYR 8 -21.249 -5.427 -21.804 52 HA TYR 8 HA TYR 8 -22.880 -4.571 -19.798 53 HB2 TYR 8 HB2 TYR 8 -22.791 -6.623 -21.574 54 HB3 TYR 8 HB3 TYR 8 -22.172 -7.515 -20.199 55 HD1 TYR 8 HD1 TYR 8 -23.624 -7.389 -18.001 56 HD2 TYR 8 HD2 TYR 8 -25.097 -6.492 -21.916 57 HE1 TYR 8 HE1 TYR 8 -26.004 -7.803 -17.208 58 HE2 TYR 8 HE2 TYR 8 -27.472 -6.909 -21.110 59 HH TYR 8 HH TYR 8 -28.501 -6.738 -18.379 60 H ALA 9 H ALA 9 -20.090 -6.876 -19.518 61 HA ALA 9 HA ALA 9 -20.392 -7.412 -16.818 62 HB1 ALA 9 HB1 ALA 9 -17.739 -7.205 -18.276 63 HB2 ALA 9 HB2 ALA 9 -18.197 -8.318 -16.965 64 HB3 ALA 9 HB3 ALA 9 -18.897 -8.521 -18.588 65 H ALA 10 H ALA 10 -18.920 -4.646 -18.543 66 HA ALA 10 HA ALA 10 -17.668 -3.573 -16.233 67 HB1 ALA 10 HB1 ALA 10 -17.059 -1.803 -17.661 68 HB2 ALA 10 HB2 ALA 10 -17.183 -3.195 -18.763 69 HB3 ALA 10 HB3 ALA 10 -18.503 -2.004 -18.681 70 H LEU 11 H LEU 11 -20.910 -3.461 -17.669 71 HA LEU 11 HA LEU 11 -21.769 -1.138 -16.323 72 HB2 LEU 11 HB2 LEU 11 -22.772 -2.192 -18.366 73 HB3 LEU 11 HB3 LEU 11 -23.430 -3.447 -17.335 74 HG LEU 11 HG LEU 11 -25.194 -1.943 -17.687 75 HD11 LEU 11 HD11 LEU 11 -24.141 -0.951 -15.041 76 HD12 LEU 11 HD12 LEU 11 -25.821 -1.277 -15.531 77 HD13 LEU 11 HD13 LEU 11 -24.692 -2.628 -15.270 78 HD21 LEU 11 HD21 LEU 11 -23.075 0.102 -17.625 79 HD22 LEU 11 HD22 LEU 11 -24.590 0.035 -18.556 80 HD23 LEU 11 HD23 LEU 11 -24.608 0.589 -16.864 81 H VAL 12 H VAL 12 -22.245 -4.675 -15.642 82 HA VAL 12 HA VAL 12 -23.576 -4.304 -13.234 83 HB VAL 12 HB VAL 12 -21.863 -6.538 -14.322 84 HG11 VAL 12 HG11 VAL 12 -23.206 -7.896 -12.539 85 HG12 VAL 12 HG12 VAL 12 -21.740 -7.013 -12.051 86 HG13 VAL 12 HG13 VAL 12 -23.347 -6.327 -11.711 87 HG21 VAL 12 HG21 VAL 12 -24.874 -6.388 -13.999 88 HG22 VAL 12 HG22 VAL 12 -24.018 -5.916 -15.486 89 HG23 VAL 12 HG23 VAL 12 -23.927 -7.594 -14.902 90 H THR 13 H THR 13 -20.069 -5.108 -13.787 91 HA THR 13 HA THR 13 -19.180 -4.992 -11.234 92 HB THR 13 HB THR 13 -17.949 -4.051 -13.868 93 HG1 THR 13 HG1 THR 13 -17.588 -6.334 -12.059 94 HG21 THR 13 HG21 THR 13 -15.747 -4.504 -12.639 95 HG22 THR 13 HG22 THR 13 -16.575 -3.011 -12.134 96 HG23 THR 13 HG23 THR 13 -16.672 -4.470 -11.118 97 H PHE 14 H PHE 14 -19.582 -2.134 -13.424 98 HA PHE 14 HA PHE 14 -18.683 -0.238 -11.657 99 HB2 PHE 14 HB2 PHE 14 -19.379 -0.052 -14.130 100 HB3 PHE 14 HB3 PHE 14 -21.053 -0.114 -13.617 101 HD1 PHE 14 HD1 PHE 14 -18.048 1.792 -12.460 102 HD2 PHE 14 HD2 PHE 14 -22.073 1.935 -13.796 103 HE1 PHE 14 HE1 PHE 14 -18.054 4.286 -12.175 104 HE2 PHE 14 HE2 PHE 14 -22.079 4.428 -13.511 105 HZ PHE 14 HZ PHE 14 -20.070 5.574 -12.704 106 H GLY 15 H GLY 15 -22.092 -1.404 -12.152 107 HA2 GLY 15 HA2 GLY 15 -23.265 0.210 -10.192 108 HA3 GLY 15 HA3 GLY 15 -23.902 -1.294 -10.828 109 H SER 16 H SER 16 -22.748 -3.379 -9.961 110 HA SER 16 HA SER 16 -23.250 -3.698 -7.383 111 HB2 SER 16 HB2 SER 16 -22.627 -5.516 -8.962 112 HB3 SER 16 HB3 SER 16 -20.952 -5.003 -8.910 113 HG SER 16 HG SER 16 -21.126 -6.689 -7.436 114 H ILE 17 H ILE 17 -19.954 -2.917 -8.723 115 HA ILE 17 HA ILE 17 -18.583 -2.747 -6.375 116 HB ILE 17 HB ILE 17 -18.328 -1.204 -8.949 117 HG12 ILE 17 HG12 ILE 17 -18.015 -3.758 -8.800 118 HG13 ILE 17 HG13 ILE 17 -16.780 -2.808 -9.602 119 HG21 ILE 17 HG21 ILE 17 -16.946 0.211 -7.938 120 HG22 ILE 17 HG22 ILE 17 -17.008 -0.706 -6.413 121 HG23 ILE 17 HG23 ILE 17 -15.845 -1.163 -7.681 122 HD11 ILE 17 HD11 ILE 17 -16.263 -3.001 -6.718 123 HD12 ILE 17 HD12 ILE 17 -16.376 -4.604 -7.483 124 HD13 ILE 17 HD13 ILE 17 -15.201 -3.412 -8.087 125 H PHE 18 H PHE 18 -20.565 -0.180 -7.982 126 HA PHE 18 HA PHE 18 -20.029 1.841 -6.188 127 HB2 PHE 18 HB2 PHE 18 -21.606 1.355 -8.443 128 HB3 PHE 18 HB3 PHE 18 -22.840 1.507 -7.208 129 HD1 PHE 18 HD2 PHE 18 -19.880 3.278 -8.604 130 HD2 PHE 18 HD1 PHE 18 -23.582 3.617 -6.557 131 HE1 PHE 18 HE2 PHE 18 -19.747 5.779 -8.777 132 HE2 PHE 18 HE1 PHE 18 -23.449 6.117 -6.730 133 HZ PHE 18 HZ PHE 18 -21.533 7.168 -7.838 134 H GLY 19 H GLY 19 -22.359 -0.886 -6.002 135 HA2 GLY 19 HA2 GLY 19 -23.668 0.128 -3.653 136 HA3 GLY 19 HA3 GLY 19 -23.867 -1.445 -4.400 137 H TYR 20 H TYR 20 -20.725 -1.657 -4.360 138 HA TYR 20 HA TYR 20 -19.302 -2.813 -3.096 139 HB2 TYR 20 HB2 TYR 20 -19.296 -0.384 -2.200 140 HB3 TYR 20 HB3 TYR 20 -20.438 -0.891 -0.971 141 HD1 TYR 20 HD2 TYR 20 -19.712 -2.616 0.748 142 HD2 TYR 20 HD1 TYR 20 -16.958 -0.721 -1.922 143 HE1 TYR 20 HE2 TYR 20 -17.778 -3.278 2.261 144 HE2 TYR 20 HE1 TYR 20 -15.034 -1.389 -0.400 145 HH TYR 20 HH TYR 20 -15.637 -2.857 2.729 146 H LYS 21 H LYS 21 -20.077 -4.915 -2.904 147 HA LYS 21 HA LYS 21 -20.877 -5.723 -0.333 148 HB2 LYS 21 HB2 LYS 21 -23.021 -4.843 -1.977 149 HB3 LYS 21 HB3 LYS 21 -23.115 -6.592 -1.918 150 HG2 LYS 21 HG2 LYS 21 -22.550 -5.189 0.678 151 HG3 LYS 21 HG3 LYS 21 -24.160 -4.992 0.016 152 HD2 LYS 21 HD2 LYS 21 -24.164 -7.590 -0.266 153 HD3 LYS 21 HD3 LYS 21 -22.765 -7.583 0.790 154 HE2 LYS 21 HE2 LYS 21 -24.766 -5.881 1.984 155 HE3 LYS 21 HE3 LYS 21 -25.553 -7.375 1.514 156 HZ1 LYS 21 HZ1 LYS 21 -23.662 -6.932 3.568 157 HZ2 LYS 21 HZ2 LYS 21 -24.662 -8.203 3.340 158 HZ3 LYS 21 HZ3 LYS 21 -23.205 -8.168 2.603 159 H ARG 22 H ARG 22 -18.699 -6.523 -1.519 160 HA ARG 22 HA ARG 22 -19.030 -9.226 -1.807 161 HB2 ARG 22 HB2 ARG 22 -20.046 -8.679 -4.021 162 HB3 ARG 22 HB3 ARG 22 -18.610 -7.782 -4.473 163 HG2 ARG 22 HG2 ARG 22 -17.490 -9.674 -5.063 164 HG3 ARG 22 HG3 ARG 22 -17.908 -10.482 -3.565 165 HD2 ARG 22 HD2 ARG 22 -20.351 -10.432 -4.934 166 HD3 ARG 22 HD3 ARG 22 -19.193 -10.679 -6.226 167 HE ARG 22 HE ARG 22 -18.769 -12.394 -3.868 168 HH11 ARG 22 HH22 ARG 22 -20.310 -12.081 -7.016 169 HH12 ARG 22 HH21 ARG 22 -20.486 -13.789 -7.242 170 HH21 ARG 22 HH12 ARG 22 -19.001 -14.647 -4.166 171 HH22 ARG 22 HH11 ARG 22 -19.736 -15.259 -5.610 172 H ARG 23 H ARG 23 -17.121 -6.487 -3.262 173 HA ARG 23 HA ARG 23 -14.722 -7.580 -3.452 174 HB2 ARG 23 HB2 ARG 23 -15.272 -5.194 -3.973 175 HB3 ARG 23 HB3 ARG 23 -15.320 -4.824 -2.261 176 HG2 ARG 23 HG2 ARG 23 -12.813 -6.174 -3.060 177 HG3 ARG 23 HG3 ARG 23 -13.064 -4.663 -3.911 178 HD2 ARG 23 HD2 ARG 23 -13.713 -4.417 -1.047 179 HD3 ARG 23 HD3 ARG 23 -12.065 -4.957 -1.292 180 HE ARG 23 HE ARG 23 -13.025 -2.311 -1.754 181 HH11 ARG 23 HH22 ARG 23 -10.982 -4.718 -3.308 182 HH12 ARG 23 HH21 ARG 23 -10.012 -3.546 -4.137 183 HH21 ARG 23 HH12 ARG 23 -11.745 -0.764 -2.847 184 HH22 ARG 23 HH11 ARG 23 -10.449 -1.282 -3.872 185 H GLY 24 H GLY 24 -12.977 -8.183 -2.098 186 HA2 GLY 24 HA2 GLY 24 -11.992 -7.704 0.162 187 HA3 GLY 24 HA3 GLY 24 -13.568 -8.130 0.799 188 H GLY 25 H GLY 25 -10.499 -9.311 -0.307 189 HA2 GLY 25 HA2 GLY 25 -11.228 -12.010 0.459 190 HA3 GLY 25 HA3 GLY 25 -10.821 -11.808 -1.233 191 H VAL 26 H VAL 26 -8.662 -11.160 -1.860 192 HA VAL 26 HA VAL 26 -6.610 -12.325 -0.609 193 HB VAL 26 HB VAL 26 -6.635 -11.231 -2.840 194 HG11 VAL 26 HG11 VAL 26 -5.858 -8.664 -1.450 195 HG12 VAL 26 HG12 VAL 26 -6.316 -8.924 -3.150 196 HG13 VAL 26 HG13 VAL 26 -7.550 -9.026 -1.870 197 HG21 VAL 26 HG21 VAL 26 -4.202 -10.115 -1.546 198 HG22 VAL 26 HG22 VAL 26 -4.523 -11.844 -1.273 199 HG23 VAL 26 HG23 VAL 26 -4.365 -11.220 -2.932 200 HA PRO 27 HA PRO 27 -6.558 -9.912 3.101 201 HB2 PRO 27 HB2 PRO 27 -5.438 -11.829 4.694 202 HB3 PRO 27 HB3 PRO 27 -7.167 -11.663 4.466 203 HG2 PRO 27 HG2 PRO 27 -5.333 -13.684 3.329 204 HG3 PRO 27 HG3 PRO 27 -7.079 -13.740 3.467 205 HD2 PRO 27 HD2 PRO 27 -5.561 -13.197 1.094 206 HD3 PRO 27 HD3 PRO 27 -7.305 -13.139 1.259 207 H SER 28 H SER 28 -5.094 -8.508 1.890 208 HA SER 28 HA SER 28 -2.708 -8.337 3.278 209 HB2 SER 28 HB2 SER 28 -2.623 -9.914 0.743 210 HB3 SER 28 HB3 SER 28 -1.373 -8.697 0.912 211 HG SER 28 HG SER 28 -0.892 -10.905 1.800 212 H LEU 29 H LEU 29 -3.474 -7.905 -0.256 213 HA LEU 29 HA LEU 29 -2.475 -5.437 -0.607 214 HB2 LEU 29 HB2 LEU 29 -3.974 -7.179 -2.064 215 HB3 LEU 29 HB3 LEU 29 -5.106 -5.856 -1.868 216 HG LEU 29 HG LEU 29 -3.224 -4.328 -2.721 217 HD11 LEU 29 HD11 LEU 29 -2.025 -7.033 -3.207 218 HD12 LEU 29 HD12 LEU 29 -1.712 -5.706 -4.351 219 HD13 LEU 29 HD13 LEU 29 -1.261 -5.529 -2.639 220 HD21 LEU 29 HD21 LEU 29 -4.808 -4.397 -4.309 221 HD22 LEU 29 HD22 LEU 29 -3.662 -5.462 -5.157 222 HD23 LEU 29 HD23 LEU 29 -4.990 -6.165 -4.203 223 H ILE 30 H ILE 30 -5.878 -6.136 0.465 224 HA ILE 30 HA ILE 30 -6.708 -3.565 0.804 225 HB ILE 30 HB ILE 30 -8.321 -5.188 1.009 226 HG12 ILE 30 HG12 ILE 30 -8.251 -4.930 3.930 227 HG13 ILE 30 HG13 ILE 30 -7.989 -3.407 3.104 228 HG21 ILE 30 HG21 ILE 30 -6.235 -6.709 2.290 229 HG22 ILE 30 HG22 ILE 30 -7.739 -6.805 3.236 230 HG23 ILE 30 HG23 ILE 30 -7.739 -7.267 1.517 231 HD11 ILE 30 HD11 ILE 30 -10.401 -5.203 3.065 232 HD12 ILE 30 HD12 ILE 30 -10.311 -3.427 3.144 233 HD13 ILE 30 HD13 ILE 30 -10.041 -4.264 1.596 234 H ALA 31 H ALA 31 -4.866 -5.630 3.137 235 HA ALA 31 HA ALA 31 -4.827 -3.875 5.252 236 HB1 ALA 31 HB1 ALA 31 -2.319 -5.371 4.697 237 HB2 ALA 31 HB2 ALA 31 -3.367 -5.387 6.135 238 HB3 ALA 31 HB3 ALA 31 -3.808 -6.345 4.702 239 H GLY 32 H GLY 32 -2.752 -4.008 2.307 240 HA2 GLY 32 HA2 GLY 32 -0.962 -1.971 3.123 241 HA3 GLY 32 HA3 GLY 32 -1.221 -2.569 1.497 242 H LEU 33 H LEU 33 -4.196 -1.998 1.609 243 HA LEU 33 HA LEU 33 -4.045 0.643 0.607 244 HB2 LEU 33 HB2 LEU 33 -5.859 -1.554 0.585 245 HB3 LEU 33 HB3 LEU 33 -6.732 -0.140 1.143 246 HG LEU 33 HG LEU 33 -6.959 -0.386 -1.255 247 HD11 LEU 33 HD11 LEU 33 -7.145 1.833 -1.080 248 HD12 LEU 33 HD12 LEU 33 -5.725 1.964 -0.014 249 HD13 LEU 33 HD13 LEU 33 -5.509 1.893 -1.780 250 HD21 LEU 33 HD21 LEU 33 -4.122 0.211 -1.869 251 HD22 LEU 33 HD22 LEU 33 -4.476 -1.434 -1.290 252 HD23 LEU 33 HD23 LEU 33 -5.304 -0.802 -2.733 253 H PHE 34 H PHE 34 -5.354 -0.848 3.629 254 HA PHE 34 HA PHE 34 -6.324 1.576 4.664 255 HB2 PHE 34 HB2 PHE 34 -5.722 -1.246 5.501 256 HB3 PHE 34 HB3 PHE 34 -5.696 -0.096 6.824 257 HD1 PHE 34 HD2 PHE 34 -7.756 1.277 7.284 258 HD2 PHE 34 HD1 PHE 34 -7.768 -1.987 4.573 259 HE1 PHE 34 HE2 PHE 34 -10.258 1.161 7.435 260 HE2 PHE 34 HE1 PHE 34 -10.271 -2.103 4.724 261 HZ PHE 34 HZ PHE 34 -11.486 -0.527 6.153 262 H VAL 35 H VAL 35 -3.157 -0.099 4.819 263 HA VAL 35 HA VAL 35 -2.083 1.430 6.903 264 HB VAL 35 HB VAL 35 -0.841 -0.074 4.597 265 HG11 VAL 35 HG11 VAL 35 1.016 1.117 5.104 266 HG12 VAL 35 HG12 VAL 35 0.396 1.610 6.698 267 HG13 VAL 35 HG13 VAL 35 1.115 -0.004 6.483 268 HG21 VAL 35 HG21 VAL 35 -2.225 -1.058 6.733 269 HG22 VAL 35 HG22 VAL 35 -0.934 -1.933 5.875 270 HG23 VAL 35 HG23 VAL 35 -0.564 -1.048 7.374 271 H GLY 36 H GLY 36 -1.419 1.681 3.333 272 HA2 GLY 36 HA2 GLY 36 -0.043 4.050 3.356 273 HA3 GLY 36 HA3 GLY 36 -1.041 3.480 2.034 274 H CYS 37 H CYS 37 -3.626 3.524 3.269 275 HA CYS 37 HA CYS 37 -4.340 6.152 2.839 276 HB2 CYS 37 HB2 CYS 37 -5.683 3.726 3.912 277 HB3 CYS 37 HB3 CYS 37 -6.424 5.259 4.327 278 HG CYS 37 HG CYS 37 -5.491 4.208 1.325 279 H LEU 38 H LEU 38 -4.388 4.331 6.000 280 HA LEU 38 HA LEU 38 -4.838 6.353 7.699 281 HB2 LEU 38 HB2 LEU 38 -3.803 3.722 7.822 282 HB3 LEU 38 HB3 LEU 38 -2.741 4.725 8.790 283 HG LEU 38 HG LEU 38 -4.504 3.717 10.141 284 HD11 LEU 38 HD11 LEU 38 -4.368 5.494 11.458 285 HD12 LEU 38 HD12 LEU 38 -3.811 6.461 10.071 286 HD13 LEU 38 HD13 LEU 38 -5.547 6.369 10.452 287 HD21 LEU 38 HD21 LEU 38 -6.238 4.777 7.998 288 HD22 LEU 38 HD22 LEU 38 -6.439 3.358 9.054 289 HD23 LEU 38 HD23 LEU 38 -6.858 4.981 9.655 290 H ALA 39 H ALA 39 -1.751 5.617 6.021 291 HA ALA 39 HA ALA 39 -0.142 7.390 7.431 292 HB1 ALA 39 HB1 ALA 39 0.082 5.611 5.276 293 HB2 ALA 39 HB2 ALA 39 0.501 7.198 4.586 294 HB3 ALA 39 HB3 ALA 39 1.393 6.577 5.996 295 H GLY 40 H GLY 40 -1.517 7.918 4.104 296 HA2 GLY 40 HA2 GLY 40 -1.047 10.666 4.057 297 HA3 GLY 40 HA3 GLY 40 -2.200 9.791 3.069 298 H TYR 41 H TYR 41 -4.323 9.108 4.268 299 HA TYR 41 HA TYR 41 -5.767 11.269 4.954 300 HB2 TYR 41 HB2 TYR 41 -6.151 8.581 4.715 301 HB3 TYR 41 HB3 TYR 41 -6.095 8.640 6.466 302 HD1 TYR 41 HD2 TYR 41 -7.736 10.609 3.710 303 HD2 TYR 41 HD1 TYR 41 -8.154 8.700 7.516 304 HE1 TYR 41 HE2 TYR 41 -10.193 11.256 3.773 305 HE2 TYR 41 HE1 TYR 41 -10.611 9.353 7.565 306 HH TYR 41 HH TYR 41 -12.361 9.947 5.301 307 H GLY 42 H GLY 42 -4.241 9.006 7.363 308 HA2 GLY 42 HA2 GLY 42 -4.948 10.295 9.673 309 HA3 GLY 42 HA3 GLY 42 -3.467 9.387 9.442 310 H ALA 43 H ALA 43 -1.932 10.840 7.705 311 HA ALA 43 HA ALA 43 -0.863 12.825 9.285 312 HB1 ALA 43 HB1 ALA 43 -0.691 12.702 6.254 313 HB2 ALA 43 HB2 ALA 43 0.535 13.295 7.401 314 HB3 ALA 43 HB3 ALA 43 0.161 11.557 7.318 315 H TYR 44 H TYR 44 -3.524 12.912 6.924 316 HA TYR 44 HA TYR 44 -3.565 15.773 6.785 317 HB2 TYR 44 HB2 TYR 44 -4.405 13.766 5.187 318 HB3 TYR 44 HB3 TYR 44 -5.840 13.815 6.191 319 HD1 TYR 44 HD2 TYR 44 -3.646 16.166 4.250 320 HD2 TYR 44 HD1 TYR 44 -7.609 15.153 5.503 321 HE1 TYR 44 HE2 TYR 44 -4.586 18.051 2.826 322 HE2 TYR 44 HE1 TYR 44 -8.536 17.041 4.074 323 HH TYR 44 HH TYR 44 -7.617 19.256 3.206 324 H ARG 45 H ARG 45 -5.036 13.230 8.790 325 HA ARG 45 HA ARG 45 -7.018 15.005 9.794 326 HB2 ARG 45 HB2 ARG 45 -6.558 12.185 9.788 327 HB3 ARG 45 HB3 ARG 45 -6.547 12.657 11.476 328 HG2 ARG 45 HG2 ARG 45 -8.716 14.097 10.423 329 HG3 ARG 45 HG3 ARG 45 -8.801 12.569 9.570 330 HD2 ARG 45 HD2 ARG 45 -8.549 11.422 11.879 331 HD3 ARG 45 HD3 ARG 45 -8.815 13.002 12.589 332 HE ARG 45 HE ARG 45 -10.869 12.437 10.639 333 HH11 ARG 45 HH22 ARG 45 -9.846 11.601 13.900 334 HH12 ARG 45 HH21 ARG 45 -11.444 11.197 14.435 335 HH21 ARG 45 HH12 ARG 45 -12.977 11.905 11.344 336 HH22 ARG 45 HH11 ARG 45 -13.236 11.372 12.971 337 H VAL 46 H VAL 46 -4.070 13.325 11.114 338 HA VAL 46 HA VAL 46 -4.041 15.324 13.264 339 HB VAL 46 HB VAL 46 -2.783 12.576 13.134 340 HG11 VAL 46 HG11 VAL 46 -1.428 13.643 14.650 341 HG12 VAL 46 HG12 VAL 46 -2.690 14.803 15.134 342 HG13 VAL 46 HG13 VAL 46 -2.743 13.128 15.734 343 HG21 VAL 46 HG21 VAL 46 -4.552 11.710 14.333 344 HG22 VAL 46 HG22 VAL 46 -5.023 13.293 14.998 345 HG23 VAL 46 HG23 VAL 46 -5.398 12.892 13.305 346 H SER 47 H SER 47 -3.198 16.599 11.187 347 HA SER 47 HA SER 47 -0.708 16.045 10.183 348 HB2 SER 47 HB2 SER 47 -0.667 18.432 9.508 349 HB3 SER 47 HB3 SER 47 -2.225 17.698 9.185 350 HG SER 47 HG SER 47 -2.603 18.614 11.579 351 H ASN 48 H ASN 48 1.362 17.354 10.574 352 HA ASN 48 HA ASN 48 1.726 18.765 12.915 353 HB2 ASN 48 HB2 ASN 48 1.359 16.356 13.841 354 HB3 ASN 48 HB3 ASN 48 2.895 15.947 13.103 355 HD21 ASN 48 HD21 ASN 48 1.521 16.717 15.906 356 HD22 ASN 48 HD22 ASN 48 2.807 17.523 16.741 357 H ASP 49 H ASP 49 3.019 16.427 10.500 358 HA ASP 49 HA ASP 49 4.925 18.283 9.623 359 HB2 ASP 49 HB2 ASP 49 5.780 16.740 11.808 360 HB3 ASP 49 HB3 ASP 49 6.418 15.863 10.432 361 H LYS 50 H LYS 50 4.864 14.653 10.025 362 HA LYS 50 HA LYS 50 5.113 13.050 8.482 363 HB2 LYS 50 HB2 LYS 50 2.573 14.046 8.551 364 HB3 LYS 50 HB3 LYS 50 2.916 14.153 6.836 365 HG2 LYS 50 HG2 LYS 50 2.173 11.959 6.912 366 HG3 LYS 50 HG3 LYS 50 3.877 11.675 7.210 367 HD2 LYS 50 HD2 LYS 50 2.396 12.296 9.689 368 HD3 LYS 50 HD3 LYS 50 1.755 10.886 8.869 369 HE2 LYS 50 HE2 LYS 50 4.531 10.509 8.697 370 HE3 LYS 50 HE3 LYS 50 4.327 11.220 10.285 371 HZ1 LYS 50 HZ1 LYS 50 2.339 9.302 9.854 372 HZ2 LYS 50 HZ2 LYS 50 3.797 8.634 9.545 373 HZ3 LYS 50 HZ3 LYS 50 3.506 9.323 10.997 374 H ARG 51 H ARG 51 4.259 13.293 5.600 375 HA ARG 51 HA ARG 51 5.740 15.296 4.399 376 HB2 ARG 51 HB2 ARG 51 7.337 13.083 5.347 377 HB3 ARG 51 HB3 ARG 51 7.299 12.990 3.598 378 HG2 ARG 51 HG2 ARG 51 8.801 14.679 3.472 379 HG3 ARG 51 HG3 ARG 51 7.658 15.756 4.250 380 HD2 ARG 51 HD2 ARG 51 8.596 15.455 6.377 381 HD3 ARG 51 HD3 ARG 51 9.170 13.839 6.019 382 HE ARG 51 HE ARG 51 11.141 14.744 5.102 383 HH11 ARG 51 HH22 ARG 51 8.776 17.299 5.613 384 HH12 ARG 51 HH21 ARG 51 9.902 18.578 5.304 385 HH21 ARG 51 HH12 ARG 51 12.627 16.431 4.694 386 HH22 ARG 51 HH11 ARG 51 12.108 18.081 4.778 387 H ASP 52 H ASP 52 4.369 15.484 2.648 388 HA ASP 52 HA ASP 52 2.707 13.573 1.732 389 HB2 ASP 52 HB2 ASP 52 3.692 16.160 0.846 390 HB3 ASP 52 HB3 ASP 52 3.535 15.109 -0.547 391 H VAL 53 H VAL 53 2.858 11.866 0.185 392 HA VAL 53 HA VAL 53 3.772 10.385 -1.179 393 HB VAL 53 HB VAL 53 5.919 12.446 -1.710 394 HG11 VAL 53 HG11 VAL 53 6.617 10.359 -2.599 395 HG12 VAL 53 HG12 VAL 53 4.985 9.982 -3.202 396 HG13 VAL 53 HG13 VAL 53 5.941 11.272 -3.970 397 HG21 VAL 53 HG21 VAL 53 3.459 12.065 -3.409 398 HG22 VAL 53 HG22 VAL 53 3.436 13.153 -2.001 399 HG23 VAL 53 HG23 VAL 53 4.577 13.447 -3.335 400 H LYS 54 H LYS 54 6.698 12.076 0.166 401 HA LYS 54 HA LYS 54 8.285 9.950 0.538 402 HB2 LYS 54 HB2 LYS 54 7.993 12.599 1.760 403 HB3 LYS 54 HB3 LYS 54 8.748 11.437 2.832 404 HG2 LYS 54 HG2 LYS 54 10.653 12.036 1.689 405 HG3 LYS 54 HG3 LYS 54 10.095 10.827 0.549 406 HD2 LYS 54 HD2 LYS 54 8.770 13.369 0.009 407 HD3 LYS 54 HD3 LYS 54 10.505 13.609 0.067 408 HE2 LYS 54 HE2 LYS 54 10.670 11.515 -1.483 409 HE3 LYS 54 HE3 LYS 54 8.946 11.708 -1.729 410 HZ1 LYS 54 HZ1 LYS 54 9.790 12.994 -3.374 411 HZ2 LYS 54 HZ2 LYS 54 9.646 14.137 -2.216 412 HZ3 LYS 54 HZ3 LYS 54 11.105 13.473 -2.532 413 H VAL 55 H VAL 55 5.617 11.008 2.732 414 HA VAL 55 HA VAL 55 5.960 9.355 4.825 415 HB VAL 55 HB VAL 55 4.193 10.950 4.727 416 HG11 VAL 55 HG11 VAL 55 2.598 9.294 2.785 417 HG12 VAL 55 HG12 VAL 55 2.449 11.020 3.195 418 HG13 VAL 55 HG13 VAL 55 3.805 10.457 2.188 419 HG21 VAL 55 HG21 VAL 55 2.900 8.207 4.843 420 HG22 VAL 55 HG22 VAL 55 3.879 8.915 6.151 421 HG23 VAL 55 HG23 VAL 55 2.357 9.694 5.656 422 H SER 56 H SER 56 4.184 8.470 1.776 423 HA SER 56 HA SER 56 3.620 5.914 2.404 424 HB2 SER 56 HB2 SER 56 3.212 7.394 0.228 425 HB3 SER 56 HB3 SER 56 4.622 6.546 -0.375 426 HG SER 56 HG SER 56 3.150 5.073 -0.934 427 H LEU 57 H LEU 57 6.694 7.242 1.035 428 HA LEU 57 HA LEU 57 7.985 4.836 0.603 429 HB2 LEU 57 HB2 LEU 57 8.565 7.591 0.501 430 HB3 LEU 57 HB3 LEU 57 9.797 6.877 1.523 431 HG LEU 57 HG LEU 57 10.517 6.989 -0.804 432 HD11 LEU 57 HD11 LEU 57 11.665 5.068 -0.666 433 HD12 LEU 57 HD12 LEU 57 10.808 4.861 0.880 434 HD13 LEU 57 HD13 LEU 57 10.193 4.071 -0.591 435 HD21 LEU 57 HD21 LEU 57 9.443 5.949 -2.609 436 HD22 LEU 57 HD22 LEU 57 8.381 4.993 -1.547 437 HD23 LEU 57 HD23 LEU 57 8.134 6.748 -1.705 438 H PHE 58 H PHE 58 7.618 6.814 3.586 439 HA PHE 58 HA PHE 58 9.360 5.154 5.097 440 HB2 PHE 58 HB2 PHE 58 7.304 7.361 5.536 441 HB3 PHE 58 HB3 PHE 58 7.871 6.479 6.940 442 HD1 PHE 58 HD1 PHE 58 9.490 7.933 3.894 443 HD2 PHE 58 HD2 PHE 58 9.473 7.616 8.126 444 HE1 PHE 58 HE1 PHE 58 11.508 9.421 4.014 445 HE2 PHE 58 HE2 PHE 58 11.491 9.105 8.245 446 HZ PHE 58 HZ PHE 58 12.484 9.989 6.188 447 H THR 59 H THR 59 6.008 4.979 4.089 448 HA THR 59 HA THR 59 5.131 3.352 6.275 449 HB THR 59 HB THR 59 4.029 4.132 3.534 450 HG1 THR 59 HG1 THR 59 4.231 5.572 5.545 451 HG21 THR 59 HG21 THR 59 2.720 2.219 3.813 452 HG22 THR 59 HG22 THR 59 3.029 2.144 5.565 453 HG23 THR 59 HG23 THR 59 1.844 3.304 4.919 454 H ALA 60 H ALA 60 5.998 2.697 2.816 455 HA ALA 60 HA ALA 60 5.729 -0.104 3.166 456 HB1 ALA 60 HB1 ALA 60 6.519 -0.220 0.906 457 HB2 ALA 60 HB2 ALA 60 5.518 1.248 1.015 458 HB3 ALA 60 HB3 ALA 60 7.293 1.379 1.023 459 H PHE 61 H PHE 61 8.331 2.288 3.588 460 HA PHE 61 HA PHE 61 10.468 0.481 3.563 461 HB2 PHE 61 HB2 PHE 61 10.752 2.922 3.377 462 HB3 PHE 61 HB3 PHE 61 9.871 3.194 4.867 463 HD1 PHE 61 HD1 PHE 61 13.064 2.074 3.439 464 HD2 PHE 61 HD2 PHE 61 10.954 2.992 7.005 465 HE1 PHE 61 HE1 PHE 61 15.226 2.090 4.714 466 HE2 PHE 61 HE2 PHE 61 13.116 3.008 8.280 467 HZ PHE 61 HZ PHE 61 15.226 2.557 7.120 468 H PHE 62 H PHE 62 8.581 1.932 6.312 469 HA PHE 62 HA PHE 62 9.955 0.535 8.299 470 HB2 PHE 62 HB2 PHE 62 8.247 2.584 8.269 471 HB3 PHE 62 HB3 PHE 62 7.004 1.351 8.346 472 HD1 PHE 62 HD2 PHE 62 10.156 2.309 10.108 473 HD2 PHE 62 HD1 PHE 62 6.233 0.724 10.426 474 HE1 PHE 62 HE2 PHE 62 10.391 2.228 12.606 475 HE2 PHE 62 HE1 PHE 62 6.468 0.643 12.924 476 HZ PHE 62 HZ PHE 62 8.544 1.396 13.984 477 H LEU 63 H LEU 63 6.898 -0.186 6.502 478 HA LEU 63 HA LEU 63 6.133 -2.404 7.949 479 HB2 LEU 63 HB2 LEU 63 5.093 -1.022 5.929 480 HB3 LEU 63 HB3 LEU 63 5.741 -2.357 4.997 481 HG LEU 63 HG LEU 63 4.190 -3.175 7.373 482 HD11 LEU 63 HD11 LEU 63 2.953 -1.508 5.193 483 HD12 LEU 63 HD12 LEU 63 2.016 -2.763 6.040 484 HD13 LEU 63 HD13 LEU 63 2.729 -1.414 6.956 485 HD21 LEU 63 HD21 LEU 63 3.172 -4.312 5.013 486 HD22 LEU 63 HD22 LEU 63 4.931 -4.184 4.773 487 HD23 LEU 63 HD23 LEU 63 4.287 -5.049 6.189 488 H ALA 64 H ALA 64 8.092 -2.318 4.886 489 HA ALA 64 HA ALA 64 8.649 -4.997 4.760 490 HB1 ALA 64 HB1 ALA 64 9.633 -2.501 3.629 491 HB2 ALA 64 HB2 ALA 64 10.965 -3.655 3.881 492 HB3 ALA 64 HB3 ALA 64 9.557 -4.121 2.897 493 H THR 65 H THR 65 10.515 -2.385 6.455 494 HA THR 65 HA THR 65 12.533 -4.017 7.441 495 HB THR 65 HB THR 65 11.235 -1.410 8.355 496 HG1 THR 65 HG1 THR 65 12.651 -0.861 6.747 497 HG21 THR 65 HG21 THR 65 13.871 -2.616 9.340 498 HG22 THR 65 HG22 THR 65 13.160 -1.059 9.827 499 HG23 THR 65 HG23 THR 65 12.384 -2.584 10.317 500 H ILE 66 H ILE 66 9.176 -3.597 8.511 501 HA ILE 66 HA ILE 66 9.648 -4.863 11.029 502 HB ILE 66 HB ILE 66 7.155 -4.108 9.509 503 HG12 ILE 66 HG12 ILE 66 8.016 -2.888 12.103 504 HG13 ILE 66 HG13 ILE 66 8.868 -2.421 10.645 505 HG21 ILE 66 HG21 ILE 66 6.199 -5.732 10.763 506 HG22 ILE 66 HG22 ILE 66 7.502 -5.725 11.976 507 HG23 ILE 66 HG23 ILE 66 6.248 -4.462 12.009 508 HD11 ILE 66 HD11 ILE 66 6.365 -1.444 11.549 509 HD12 ILE 66 HD12 ILE 66 7.146 -1.107 9.986 510 HD13 ILE 66 HD13 ILE 66 5.999 -2.460 10.134 511 H MET 67 H MET 67 8.866 -5.848 7.717 512 HA MET 67 HA MET 67 8.021 -8.441 8.536 513 HB2 MET 67 HB2 MET 67 7.819 -6.819 6.224 514 HB3 MET 67 HB3 MET 67 8.886 -8.115 5.719 515 HG2 MET 67 HG2 MET 67 6.377 -8.845 7.238 516 HG3 MET 67 HG3 MET 67 6.219 -8.370 5.559 517 HE1 MET 67 HE1 MET 67 6.126 -11.474 7.438 518 HE2 MET 67 HE2 MET 67 5.148 -10.896 6.068 519 HE3 MET 67 HE3 MET 67 6.130 -12.371 5.900 520 H GLY 68 H GLY 68 10.881 -7.097 6.733 521 HA2 GLY 68 HA2 GLY 68 13.082 -7.749 7.132 522 HA3 GLY 68 HA3 GLY 68 12.526 -9.231 7.884 523 H VAL 69 H VAL 69 12.011 -7.591 4.671 524 HA VAL 69 HA VAL 69 12.667 -10.176 3.434 525 HB VAL 69 HB VAL 69 10.718 -8.016 2.625 526 HG11 VAL 69 HG11 VAL 69 10.314 -9.960 0.784 527 HG12 VAL 69 HG12 VAL 69 11.361 -8.545 0.515 528 HG13 VAL 69 HG13 VAL 69 12.075 -10.101 1.004 529 HG21 VAL 69 HG21 VAL 69 9.261 -9.281 3.747 530 HG22 VAL 69 HG22 VAL 69 9.532 -10.566 2.546 531 HG23 VAL 69 HG23 VAL 69 10.493 -10.531 4.045 532 H ARG 70 H ARG 70 14.182 -10.198 1.766 533 HA ARG 70 HA ARG 70 15.684 -7.745 1.579 534 HB2 ARG 70 HB2 ARG 70 16.278 -10.619 1.415 535 HB3 ARG 70 HB3 ARG 70 16.973 -9.764 0.053 536 HG2 ARG 70 HG2 ARG 70 18.523 -8.695 1.354 537 HG3 ARG 70 HG3 ARG 70 17.355 -8.323 2.606 538 HD2 ARG 70 HD2 ARG 70 17.749 -10.310 3.773 539 HD3 ARG 70 HD3 ARG 70 18.174 -11.206 2.328 540 HE ARG 70 HE ARG 70 20.008 -9.817 4.046 541 HH11 ARG 70 HH22 ARG 70 19.414 -10.437 0.634 542 HH12 ARG 70 HH21 ARG 70 21.078 -10.273 0.183 543 HH21 ARG 70 HH12 ARG 70 22.204 -9.601 3.452 544 HH22 ARG 70 HH11 ARG 70 22.676 -9.795 1.797 545 H PHE 71 H PHE 71 16.622 -7.194 -0.685 546 HA PHE 71 HA PHE 71 14.432 -7.081 -2.515 547 HB2 PHE 71 HB2 PHE 71 17.296 -6.095 -2.247 548 HB3 PHE 71 HB3 PHE 71 16.582 -6.048 -3.846 549 HD1 PHE 71 HD1 PHE 71 15.777 -5.031 -0.343 550 HD2 PHE 71 HD2 PHE 71 15.453 -4.138 -4.479 551 HE1 PHE 71 HE1 PHE 71 14.671 -2.848 0.215 552 HE2 PHE 71 HE2 PHE 71 14.347 -1.955 -3.921 553 HZ PHE 71 HZ PHE 71 13.969 -1.336 -1.581 554 H LYS 72 H LYS 72 13.947 -8.588 -4.033 555 HA LYS 72 HA LYS 72 14.158 -10.220 -5.502 556 HB2 LYS 72 HB2 LYS 72 16.076 -8.495 -6.225 557 HB3 LYS 72 HB3 LYS 72 17.103 -9.862 -5.840 558 HG2 LYS 72 HG2 LYS 72 16.619 -10.649 -7.918 559 HG3 LYS 72 HG3 LYS 72 15.036 -11.058 -7.287 560 HD2 LYS 72 HD2 LYS 72 14.507 -9.737 -9.169 561 HD3 LYS 72 HD3 LYS 72 14.385 -8.586 -7.852 562 HE2 LYS 72 HE2 LYS 72 16.000 -7.297 -8.785 563 HE3 LYS 72 HE3 LYS 72 17.137 -8.629 -8.719 564 HZ1 LYS 72 HZ1 LYS 72 16.224 -9.427 -10.799 565 HZ2 LYS 72 HZ2 LYS 72 15.181 -8.171 -10.864 566 HZ3 LYS 72 HZ3 LYS 72 16.789 -7.903 -10.961 567 H ARG 73 H ARG 73 14.034 -12.360 -5.069 568 HA ARG 73 HA ARG 73 16.197 -13.739 -3.966 569 HB2 ARG 73 HB2 ARG 73 14.239 -12.613 -2.083 570 HB3 ARG 73 HB3 ARG 73 14.279 -14.361 -1.968 571 HG2 ARG 73 HG2 ARG 73 16.970 -13.106 -2.149 572 HG3 ARG 73 HG3 ARG 73 16.066 -12.642 -0.721 573 HD2 ARG 73 HD2 ARG 73 16.146 -14.763 0.192 574 HD3 ARG 73 HD3 ARG 73 15.959 -15.556 -1.360 575 HE ARG 73 HE ARG 73 18.535 -14.245 -1.201 576 HH11 ARG 73 HH22 ARG 73 16.787 -17.091 -0.090 577 HH12 ARG 73 HH21 ARG 73 18.216 -18.051 0.100 578 HH21 ARG 73 HH12 ARG 73 20.420 -15.512 -0.950 579 HH22 ARG 73 HH11 ARG 73 20.296 -17.147 -0.392 580 H SER 74 H SER 74 12.579 -13.609 -4.228 581 HA SER 74 HA SER 74 12.626 -16.411 -4.975 582 HB2 SER 74 HB2 SER 74 10.653 -14.583 -3.722 583 HB3 SER 74 HB3 SER 74 9.958 -15.648 -4.928 584 HG SER 74 HG SER 74 10.259 -17.358 -3.651 585 H LYS 75 H LYS 75 11.107 -17.045 -6.849 586 HA LYS 75 HA LYS 75 11.158 -14.933 -8.891 587 HB2 LYS 75 HB2 LYS 75 11.558 -16.754 -10.544 588 HB3 LYS 75 HB3 LYS 75 12.886 -16.495 -9.430 589 HG2 LYS 75 HG2 LYS 75 10.991 -18.437 -8.328 590 HG3 LYS 75 HG3 LYS 75 11.516 -18.933 -9.924 591 HD2 LYS 75 HD2 LYS 75 13.837 -18.926 -9.288 592 HD3 LYS 75 HD3 LYS 75 13.519 -18.011 -7.828 593 HE2 LYS 75 HE2 LYS 75 13.687 -20.142 -6.910 594 HE3 LYS 75 HE3 LYS 75 11.964 -20.104 -7.226 595 HZ1 LYS 75 HZ1 LYS 75 13.399 -22.042 -8.082 596 HZ2 LYS 75 HZ2 LYS 75 12.197 -21.459 -9.021 597 HZ3 LYS 75 HZ3 LYS 75 13.746 -21.040 -9.324 598 H LYS 76 H LYS 76 9.173 -14.337 -9.562 599 HA LYS 76 HA LYS 76 7.027 -14.422 -10.076 600 HB2 LYS 76 HB2 LYS 76 7.427 -17.428 -10.069 601 HB3 LYS 76 HB3 LYS 76 5.970 -16.623 -10.615 602 HG2 LYS 76 HG2 LYS 76 7.028 -16.669 -12.655 603 HG3 LYS 76 HG3 LYS 76 7.799 -15.212 -12.060 604 HD2 LYS 76 HD2 LYS 76 9.360 -17.297 -10.974 605 HD3 LYS 76 HD3 LYS 76 8.974 -17.856 -12.590 606 HE2 LYS 76 HE2 LYS 76 9.622 -15.279 -13.185 607 HE3 LYS 76 HE3 LYS 76 10.593 -15.473 -11.739 608 HZ1 LYS 76 HZ1 LYS 76 10.647 -17.447 -13.902 609 HZ2 LYS 76 HZ2 LYS 76 11.632 -16.144 -13.896 610 HZ3 LYS 76 HZ3 LYS 76 11.730 -17.247 -12.695 611 H ILE 77 H ILE 77 7.464 -17.247 -7.823 612 HA ILE 77 HA ILE 77 5.163 -16.503 -6.342 613 HB ILE 77 HB ILE 77 5.734 -18.792 -6.515 614 HG12 ILE 77 HG12 ILE 77 6.490 -18.924 -3.796 615 HG13 ILE 77 HG13 ILE 77 5.538 -17.462 -3.956 616 HG21 ILE 77 HG21 ILE 77 7.904 -19.232 -6.871 617 HG22 ILE 77 HG22 ILE 77 8.454 -17.844 -5.902 618 HG23 ILE 77 HG23 ILE 77 7.993 -19.364 -5.098 619 HD11 ILE 77 HD11 ILE 77 4.522 -19.933 -5.343 620 HD12 ILE 77 HD12 ILE 77 4.379 -19.848 -3.570 621 HD13 ILE 77 HD13 ILE 77 3.612 -18.604 -4.586 622 H MET 78 H MET 78 6.100 -14.142 -6.253 623 HA MET 78 HA MET 78 7.331 -13.949 -3.632 624 HB2 MET 78 HB2 MET 78 8.768 -12.054 -4.524 625 HB3 MET 78 HB3 MET 78 9.168 -13.602 -5.240 626 HG2 MET 78 HG2 MET 78 7.199 -12.692 -6.974 627 HG3 MET 78 HG3 MET 78 7.969 -11.189 -6.506 628 HE1 MET 78 HE1 MET 78 9.576 -11.513 -9.760 629 HE2 MET 78 HE2 MET 78 8.439 -10.727 -8.638 630 HE3 MET 78 HE3 MET 78 10.192 -10.492 -8.439 631 HA PRO 79 HA PRO 79 4.315 -10.872 -3.104 632 HB2 PRO 79 HB2 PRO 79 5.351 -9.429 -1.028 633 HB3 PRO 79 HB3 PRO 79 4.516 -10.955 -0.812 634 HG2 PRO 79 HG2 PRO 79 7.414 -10.391 -0.667 635 HG3 PRO 79 HG3 PRO 79 6.533 -11.775 -0.051 636 HD2 PRO 79 HD2 PRO 79 8.147 -11.685 -2.420 637 HD3 PRO 79 HD3 PRO 79 7.173 -13.032 -1.866 638 H ALA 80 H ALA 80 5.509 -10.335 -5.386 639 HA ALA 80 HA ALA 80 6.850 -7.839 -5.316 640 HB1 ALA 80 HB1 ALA 80 7.399 -9.080 -7.187 641 HB2 ALA 80 HB2 ALA 80 5.748 -9.716 -7.384 642 HB3 ALA 80 HB3 ALA 80 6.123 -8.047 -7.875 643 H GLY 81 H GLY 81 3.458 -8.925 -5.819 644 HA2 GLY 81 HA2 GLY 81 2.171 -6.819 -6.823 645 HA3 GLY 81 HA3 GLY 81 1.550 -7.739 -5.467 646 H LEU 82 H LEU 82 3.249 -7.069 -3.359 647 HA LEU 82 HA LEU 82 2.208 -4.770 -2.387 648 HB2 LEU 82 HB2 LEU 82 4.354 -6.583 -1.727 649 HB3 LEU 82 HB3 LEU 82 4.800 -4.938 -1.317 650 HG LEU 82 HG LEU 82 2.235 -5.099 -0.319 651 HD11 LEU 82 HD11 LEU 82 3.167 -7.801 -0.675 652 HD12 LEU 82 HD12 LEU 82 2.984 -7.438 1.058 653 HD13 LEU 82 HD13 LEU 82 1.609 -7.209 -0.049 654 HD21 LEU 82 HD21 LEU 82 4.598 -4.349 0.625 655 HD22 LEU 82 HD22 LEU 82 3.219 -4.689 1.697 656 HD23 LEU 82 HD23 LEU 82 4.486 -5.916 1.462 657 H VAL 83 H VAL 83 5.452 -5.085 -3.997 658 HA VAL 83 HA VAL 83 6.023 -2.370 -3.963 659 HB VAL 83 HB VAL 83 6.873 -4.618 -5.792 660 HG11 VAL 83 HG11 VAL 83 7.400 -1.737 -5.975 661 HG12 VAL 83 HG12 VAL 83 8.881 -2.721 -5.896 662 HG13 VAL 83 HG13 VAL 83 7.673 -3.032 -7.166 663 HG21 VAL 83 HG21 VAL 83 7.817 -3.515 -3.186 664 HG22 VAL 83 HG22 VAL 83 7.811 -5.189 -3.791 665 HG23 VAL 83 HG23 VAL 83 9.055 -4.045 -4.350 666 H ALA 84 H ALA 84 4.090 -4.382 -6.209 667 HA ALA 84 HA ALA 84 3.874 -2.487 -8.254 668 HB1 ALA 84 HB1 ALA 84 1.506 -4.151 -7.928 669 HB2 ALA 84 HB2 ALA 84 2.749 -4.190 -9.201 670 HB3 ALA 84 HB3 ALA 84 2.992 -5.102 -7.692 671 H GLY 85 H GLY 85 2.255 -2.881 -5.109 672 HA2 GLY 85 HA2 GLY 85 0.080 -1.119 -5.673 673 HA3 GLY 85 HA3 GLY 85 0.600 -1.713 -4.108 674 H LEU 86 H LEU 86 3.155 -0.805 -3.745 675 HA LEU 86 HA LEU 86 2.830 1.795 -2.965 676 HB2 LEU 86 HB2 LEU 86 4.556 0.680 -1.957 677 HB3 LEU 86 HB3 LEU 86 5.164 0.009 -3.457 678 HG LEU 86 HG LEU 86 5.822 2.460 -4.033 679 HD11 LEU 86 HD11 LEU 86 6.464 3.686 -1.862 680 HD12 LEU 86 HD12 LEU 86 4.768 3.746 -2.398 681 HD13 LEU 86 HD13 LEU 86 5.247 2.648 -1.082 682 HD21 LEU 86 HD21 LEU 86 7.322 0.974 -1.859 683 HD22 LEU 86 HD22 LEU 86 7.387 0.598 -3.598 684 HD23 LEU 86 HD23 LEU 86 7.991 2.163 -3.002 685 H SER 87 H SER 87 4.134 0.504 -6.070 686 HA SER 87 HA SER 87 4.888 2.981 -7.065 687 HB2 SER 87 HB2 SER 87 5.515 0.645 -7.924 688 HB3 SER 87 HB3 SER 87 3.948 0.593 -8.706 689 HG SER 87 HG SER 87 4.766 1.746 -10.301 690 H LEU 88 H LEU 88 1.925 0.959 -7.701 691 HA LEU 88 HA LEU 88 0.598 2.602 -9.387 692 HB2 LEU 88 HB2 LEU 88 -0.003 0.411 -7.659 693 HB3 LEU 88 HB3 LEU 88 -1.291 1.590 -7.517 694 HG LEU 88 HG LEU 88 -1.579 -0.243 -9.252 695 HD11 LEU 88 HD11 LEU 88 -2.854 1.124 -10.664 696 HD12 LEU 88 HD12 LEU 88 -2.809 1.999 -9.114 697 HD13 LEU 88 HD13 LEU 88 -1.763 2.515 -10.458 698 HD21 LEU 88 HD21 LEU 88 -0.395 -0.272 -11.236 699 HD22 LEU 88 HD22 LEU 88 0.162 1.409 -11.057 700 HD23 LEU 88 HD23 LEU 88 0.873 0.123 -10.051 701 H MET 89 H MET 89 0.952 2.928 -5.827 702 HA MET 89 HA MET 89 -0.883 5.020 -5.603 703 HB2 MET 89 HB2 MET 89 0.810 3.460 -3.920 704 HB3 MET 89 HB3 MET 89 1.341 5.110 -3.666 705 HG2 MET 89 HG2 MET 89 -0.725 5.795 -2.783 706 HG3 MET 89 HG3 MET 89 -1.631 4.583 -3.666 707 HE1 MET 89 HE1 MET 89 -2.399 2.488 -2.788 708 HE2 MET 89 HE2 MET 89 -0.796 1.807 -3.153 709 HE3 MET 89 HE3 MET 89 -1.565 1.478 -1.582 710 H MET 90 H MET 90 2.737 4.959 -5.874 711 HA MET 90 HA MET 90 3.194 7.618 -5.623 712 HB2 MET 90 HB2 MET 90 4.614 5.295 -6.400 713 HB3 MET 90 HB3 MET 90 4.790 6.358 -7.782 714 HG2 MET 90 HG2 MET 90 5.679 8.161 -6.338 715 HG3 MET 90 HG3 MET 90 5.396 7.193 -4.904 716 HE1 MET 90 HE1 MET 90 7.733 8.678 -6.462 717 HE2 MET 90 HE2 MET 90 8.639 7.974 -5.101 718 HE3 MET 90 HE3 MET 90 9.154 7.653 -6.774 719 H ILE 91 H ILE 91 2.837 5.848 -8.790 720 HA ILE 91 HA ILE 91 2.840 8.071 -10.400 721 HB ILE 91 HB ILE 91 1.556 6.606 -11.988 722 HG12 ILE 91 HG12 ILE 91 1.751 4.099 -10.894 723 HG13 ILE 91 HG13 ILE 91 1.226 5.038 -9.510 724 HG21 ILE 91 HG21 ILE 91 3.962 6.662 -12.030 725 HG22 ILE 91 HG22 ILE 91 4.057 5.525 -10.664 726 HG23 ILE 91 HG23 ILE 91 3.418 4.979 -12.232 727 HD11 ILE 91 HD11 ILE 91 -0.532 4.031 -11.268 728 HD12 ILE 91 HD12 ILE 91 -0.815 5.598 -10.472 729 HD13 ILE 91 HD13 ILE 91 -0.167 5.545 -12.129 730 H LEU 92 H LEU 92 0.044 6.434 -8.784 731 HA LEU 92 HA LEU 92 -1.945 8.026 -9.834 732 HB2 LEU 92 HB2 LEU 92 -1.591 6.298 -7.458 733 HB3 LEU 92 HB3 LEU 92 -2.898 7.462 -7.371 734 HG LEU 92 HG LEU 92 -2.838 5.976 -9.906 735 HD11 LEU 92 HD11 LEU 92 -2.395 3.954 -9.072 736 HD12 LEU 92 HD12 LEU 92 -2.560 4.509 -7.389 737 HD13 LEU 92 HD13 LEU 92 -4.005 4.048 -8.319 738 HD21 LEU 92 HD21 LEU 92 -4.839 6.983 -9.752 739 HD22 LEU 92 HD22 LEU 92 -5.282 5.560 -8.779 740 HD23 LEU 92 HD23 LEU 92 -4.781 7.068 -7.975 741 H ARG 93 H ARG 93 0.418 8.656 -7.240 742 HA ARG 93 HA ARG 93 -0.948 10.951 -6.334 743 HB2 ARG 93 HB2 ARG 93 1.950 10.044 -5.944 744 HB3 ARG 93 HB3 ARG 93 1.209 11.370 -5.071 745 HG2 ARG 93 HG2 ARG 93 -0.447 8.939 -4.950 746 HG3 ARG 93 HG3 ARG 93 1.168 8.649 -4.335 747 HD2 ARG 93 HD2 ARG 93 0.894 10.767 -2.903 748 HD3 ARG 93 HD3 ARG 93 -0.787 10.799 -3.397 749 HE ARG 93 HE ARG 93 0.112 8.220 -2.288 750 HH11 ARG 93 HH22 ARG 93 -1.361 11.344 -1.610 751 HH12 ARG 93 HH21 ARG 93 -2.110 10.814 -0.141 752 HH21 ARG 93 HH12 ARG 93 -0.877 7.522 -0.350 753 HH22 ARG 93 HH11 ARG 93 -1.834 8.626 0.580 754 H LEU 94 H LEU 94 1.470 10.189 -8.818 755 HA LEU 94 HA LEU 94 2.725 12.581 -9.179 756 HB2 LEU 94 HB2 LEU 94 2.735 10.196 -10.411 757 HB3 LEU 94 HB3 LEU 94 1.845 11.118 -11.606 758 HG LEU 94 HG LEU 94 3.943 12.803 -11.117 759 HD11 LEU 94 HD11 LEU 94 4.769 10.090 -10.296 760 HD12 LEU 94 HD12 LEU 94 5.862 10.907 -11.439 761 HD13 LEU 94 HD13 LEU 94 5.455 11.681 -9.889 762 HD21 LEU 94 HD21 LEU 94 3.292 10.772 -13.188 763 HD22 LEU 94 HD22 LEU 94 3.524 12.532 -13.327 764 HD23 LEU 94 HD23 LEU 94 4.936 11.454 -13.209 765 H VAL 95 H VAL 95 -0.457 11.530 -10.567 766 HA VAL 95 HA VAL 95 -0.892 14.111 -11.715 767 HB VAL 95 HB VAL 95 -1.694 11.867 -12.573 768 HG11 VAL 95 HG11 VAL 95 -2.548 10.953 -10.471 769 HG12 VAL 95 HG12 VAL 95 -3.771 12.243 -10.388 770 HG13 VAL 95 HG13 VAL 95 -3.840 11.033 -11.692 771 HG21 VAL 95 HG21 VAL 95 -2.806 14.443 -12.745 772 HG22 VAL 95 HG22 VAL 95 -3.042 13.085 -13.871 773 HG23 VAL 95 HG23 VAL 95 -4.189 13.342 -12.535 774 H LEU 96 H LEU 96 -1.969 12.299 -8.793 775 HA LEU 96 HA LEU 96 -3.939 13.939 -7.896 776 HB2 LEU 96 HB2 LEU 96 -2.667 11.766 -6.961 777 HB3 LEU 96 HB3 LEU 96 -1.978 12.971 -5.892 778 HG LEU 96 HG LEU 96 -4.495 13.672 -5.532 779 HD11 LEU 96 HD11 LEU 96 -5.289 10.887 -5.686 780 HD12 LEU 96 HD12 LEU 96 -6.101 12.345 -6.304 781 HD13 LEU 96 HD13 LEU 96 -4.860 11.533 -7.288 782 HD21 LEU 96 HD21 LEU 96 -4.462 11.471 -3.882 783 HD22 LEU 96 HD22 LEU 96 -2.736 11.713 -4.246 784 HD23 LEU 96 HD23 LEU 96 -3.692 13.041 -3.546 785 H LEU 97 H LEU 97 -0.409 14.489 -7.897 786 HA LEU 97 HA LEU 97 -0.122 16.497 -6.126 787 HB2 LEU 97 HB2 LEU 97 1.276 15.462 -8.350 788 HB3 LEU 97 HB3 LEU 97 1.236 17.201 -8.561 789 HG LEU 97 HG LEU 97 1.975 17.126 -5.976 790 HD11 LEU 97 HD11 LEU 97 2.265 14.968 -5.378 791 HD12 LEU 97 HD12 LEU 97 2.535 14.420 -7.050 792 HD13 LEU 97 HD13 LEU 97 3.853 15.202 -6.146 793 HD21 LEU 97 HD21 LEU 97 3.742 18.174 -6.818 794 HD22 LEU 97 HD22 LEU 97 4.340 16.683 -7.583 795 HD23 LEU 97 HD23 LEU 97 3.171 17.715 -8.440 796 H LEU 98 H LEU 98 -1.626 16.681 -9.387 797 HA LEU 98 HA LEU 98 -1.931 19.490 -9.322 798 HB2 LEU 98 HB2 LEU 98 -2.218 17.442 -11.173 799 HB3 LEU 98 HB3 LEU 98 -3.854 18.028 -10.950 800 HG LEU 98 HG LEU 98 -2.709 20.397 -11.283 801 HD11 LEU 98 HD11 LEU 98 -0.972 19.825 -13.266 802 HD12 LEU 98 HD12 LEU 98 -0.487 20.139 -11.582 803 HD13 LEU 98 HD13 LEU 98 -0.643 18.464 -12.166 804 HD21 LEU 98 HD21 LEU 98 -2.903 19.154 -13.909 805 HD22 LEU 98 HD22 LEU 98 -4.246 18.685 -12.839 806 HD23 LEU 98 HD23 LEU 98 -3.916 20.406 -13.153 807 H LEU 99 H LEU 99 -4.083 16.697 -8.515 808 HA LEU 99 HA LEU 99 -6.367 18.126 -7.975 809 HB2 LEU 99 HB2 LEU 99 -5.251 15.496 -7.313 810 HB3 LEU 99 HB3 LEU 99 -6.408 16.087 -6.137 811 HG LEU 99 HG LEU 99 -7.926 16.547 -8.210 812 HD11 LEU 99 HD11 LEU 99 -6.868 16.148 -10.150 813 HD12 LEU 99 HD12 LEU 99 -5.668 15.070 -9.399 814 HD13 LEU 99 HD13 LEU 99 -7.282 14.449 -9.818 815 HD21 LEU 99 HD21 LEU 99 -8.588 14.034 -8.170 816 HD22 LEU 99 HD22 LEU 99 -7.341 13.903 -6.907 817 HD23 LEU 99 HD23 LEU 99 -8.723 15.001 -6.681 Start of MODEL 5 1 H MET 1 H1 MET 1 -5.113 -14.945 -27.538 2 HA MET 1 HA MET 1 -7.247 -14.118 -26.656 3 HB2 MET 1 HB2 MET 1 -8.186 -16.399 -26.307 4 HB3 MET 1 HB3 MET 1 -7.009 -16.433 -27.605 5 HG2 MET 1 HG2 MET 1 -6.124 -18.200 -26.435 6 HG3 MET 1 HG3 MET 1 -5.360 -16.949 -25.474 7 HE1 MET 1 HE1 MET 1 -5.319 -18.849 -23.295 8 HE2 MET 1 HE2 MET 1 -5.287 -17.070 -23.256 9 HE3 MET 1 HE3 MET 1 -6.342 -17.966 -22.137 10 H ASP 2 H ASP 2 -8.705 -14.000 -24.819 11 HA ASP 2 HA ASP 2 -8.035 -14.976 -22.324 12 HB2 ASP 2 HB2 ASP 2 -6.472 -12.747 -22.967 13 HB3 ASP 2 HB3 ASP 2 -7.797 -12.032 -22.071 14 H LEU 3 H LEU 3 -9.286 -11.937 -23.913 15 HA LEU 3 HA LEU 3 -11.813 -12.363 -22.478 16 HB2 LEU 3 HB2 LEU 3 -10.128 -10.024 -22.882 17 HB3 LEU 3 HB3 LEU 3 -11.777 -9.746 -23.407 18 HG LEU 3 HG LEU 3 -11.163 -10.899 -20.685 19 HD11 LEU 3 HD11 LEU 3 -10.328 -8.362 -21.551 20 HD12 LEU 3 HD12 LEU 3 -11.800 -8.083 -20.590 21 HD13 LEU 3 HD13 LEU 3 -10.427 -8.966 -19.880 22 HD21 LEU 3 HD21 LEU 3 -13.359 -10.095 -20.100 23 HD22 LEU 3 HD22 LEU 3 -13.540 -9.311 -21.688 24 HD23 LEU 3 HD23 LEU 3 -13.471 -11.086 -21.575 25 H ILE 4 H ILE 4 -13.673 -11.117 -23.832 26 HA ILE 4 HA ILE 4 -13.384 -12.111 -26.582 27 HB ILE 4 HB ILE 4 -15.779 -12.101 -24.747 28 HG12 ILE 4 HG12 ILE 4 -15.107 -14.601 -26.061 29 HG13 ILE 4 HG13 ILE 4 -13.739 -13.991 -25.151 30 HG21 ILE 4 HG21 ILE 4 -15.778 -13.087 -27.598 31 HG22 ILE 4 HG22 ILE 4 -17.158 -12.797 -26.512 32 HG23 ILE 4 HG23 ILE 4 -16.239 -11.421 -27.170 33 HD11 ILE 4 HD11 ILE 4 -16.437 -14.866 -24.174 34 HD12 ILE 4 HD12 ILE 4 -14.833 -15.093 -23.436 35 HD13 ILE 4 HD13 ILE 4 -15.658 -13.521 -23.307 36 H GLY 5 H GLY 5 -15.460 -9.842 -24.636 37 HA2 GLY 5 HA2 GLY 5 -14.952 -7.810 -26.724 38 HA3 GLY 5 HA3 GLY 5 -16.561 -8.128 -26.107 39 H PHE 6 H PHE 6 -15.716 -5.563 -25.846 40 HA PHE 6 HA PHE 6 -14.452 -5.261 -23.259 41 HB2 PHE 6 HB2 PHE 6 -15.467 -3.463 -25.524 42 HB3 PHE 6 HB3 PHE 6 -14.954 -2.759 -24.004 43 HD1 PHE 6 HD2 PHE 6 -13.789 -4.809 -26.860 44 HD2 PHE 6 HD1 PHE 6 -12.668 -2.415 -23.541 45 HE1 PHE 6 HE2 PHE 6 -11.410 -4.812 -27.661 46 HE2 PHE 6 HE1 PHE 6 -10.290 -2.418 -24.341 47 HZ PHE 6 HZ PHE 6 -9.689 -3.617 -26.392 48 H GLY 7 H GLY 7 -17.566 -4.356 -24.899 49 HA2 GLY 7 HA2 GLY 7 -18.930 -3.048 -23.023 50 HA3 GLY 7 HA3 GLY 7 -19.659 -4.301 -24.009 51 H TYR 8 H TYR 8 -18.824 -6.689 -23.135 52 HA TYR 8 HA TYR 8 -20.230 -7.196 -20.863 53 HB2 TYR 8 HB2 TYR 8 -18.089 -8.404 -22.563 54 HB3 TYR 8 HB3 TYR 8 -18.054 -9.024 -20.924 55 HD1 TYR 8 HD1 TYR 8 -20.058 -10.212 -19.994 56 HD2 TYR 8 HD2 TYR 8 -19.817 -9.042 -24.102 57 HE1 TYR 8 HE1 TYR 8 -21.938 -11.823 -20.571 58 HE2 TYR 8 HE2 TYR 8 -21.698 -10.656 -24.665 59 HH TYR 8 HH TYR 8 -22.515 -13.055 -23.183 60 H ALA 9 H ALA 9 -16.666 -6.574 -21.136 61 HA ALA 9 HA ALA 9 -16.054 -6.974 -18.469 62 HB1 ALA 9 HB1 ALA 9 -14.527 -6.647 -20.510 63 HB2 ALA 9 HB2 ALA 9 -14.758 -4.900 -20.265 64 HB3 ALA 9 HB3 ALA 9 -14.003 -5.885 -18.990 65 H ALA 10 H ALA 10 -17.434 -4.144 -20.187 66 HA ALA 10 HA ALA 10 -17.153 -2.382 -17.984 67 HB1 ALA 10 HB1 ALA 10 -18.040 -0.839 -19.426 68 HB2 ALA 10 HB2 ALA 10 -17.627 -2.082 -20.632 69 HB3 ALA 10 HB3 ALA 10 -19.293 -1.954 -20.020 70 H LEU 11 H LEU 11 -19.496 -4.849 -18.987 71 HA LEU 11 HA LEU 11 -21.622 -3.918 -17.378 72 HB2 LEU 11 HB2 LEU 11 -21.031 -6.137 -19.143 73 HB3 LEU 11 HB3 LEU 11 -21.885 -6.683 -17.714 74 HG LEU 11 HG LEU 11 -23.443 -6.199 -19.505 75 HD11 LEU 11 HD11 LEU 11 -24.107 -5.777 -17.148 76 HD12 LEU 11 HD12 LEU 11 -23.680 -4.063 -17.370 77 HD13 LEU 11 HD13 LEU 11 -24.994 -4.784 -18.329 78 HD21 LEU 11 HD21 LEU 11 -23.693 -4.092 -20.563 79 HD22 LEU 11 HD22 LEU 11 -22.564 -3.306 -19.433 80 HD23 LEU 11 HD23 LEU 11 -21.959 -4.486 -20.620 81 H VAL 12 H VAL 12 -19.197 -6.589 -16.929 82 HA VAL 12 HA VAL 12 -19.986 -7.282 -14.376 83 HB VAL 12 HB VAL 12 -17.317 -7.388 -15.782 84 HG11 VAL 12 HG11 VAL 12 -17.503 -9.360 -13.721 85 HG12 VAL 12 HG12 VAL 12 -16.321 -8.041 -13.899 86 HG13 VAL 12 HG13 VAL 12 -17.833 -7.766 -12.999 87 HG21 VAL 12 HG21 VAL 12 -19.085 -9.741 -15.163 88 HG22 VAL 12 HG22 VAL 12 -19.450 -8.695 -16.556 89 HG23 VAL 12 HG23 VAL 12 -17.882 -9.533 -16.459 90 H THR 13 H THR 13 -17.496 -4.877 -15.458 91 HA THR 13 HA THR 13 -16.595 -4.091 -12.986 92 HB THR 13 HB THR 13 -17.079 -2.412 -15.505 93 HG1 THR 13 HG1 THR 13 -15.266 -3.535 -16.189 94 HG21 THR 13 HG21 THR 13 -16.345 -0.986 -13.622 95 HG22 THR 13 HG22 THR 13 -15.086 -2.167 -13.190 96 HG23 THR 13 HG23 THR 13 -14.968 -1.259 -14.716 97 H PHE 14 H PHE 14 -19.266 -2.480 -14.849 98 HA PHE 14 HA PHE 14 -19.995 -0.716 -12.902 99 HB2 PHE 14 HB2 PHE 14 -20.830 -1.468 -15.413 100 HB3 PHE 14 HB3 PHE 14 -22.114 -2.207 -14.477 101 HD1 PHE 14 HD2 PHE 14 -23.440 -0.702 -12.885 102 HD2 PHE 14 HD1 PHE 14 -20.893 0.818 -15.920 103 HE1 PHE 14 HE2 PHE 14 -24.633 1.504 -12.782 104 HE2 PHE 14 HE1 PHE 14 -22.086 3.024 -15.817 105 HZ PHE 14 HZ PHE 14 -23.942 3.340 -14.248 106 H GLY 15 H GLY 15 -21.013 -4.158 -13.315 107 HA2 GLY 15 HA2 GLY 15 -22.956 -4.174 -11.280 108 HA3 GLY 15 HA3 GLY 15 -22.119 -5.560 -11.950 109 H SER 16 H SER 16 -19.824 -5.981 -11.143 110 HA SER 16 HA SER 16 -19.738 -6.431 -8.544 111 HB2 SER 16 HB2 SER 16 -17.843 -6.359 -10.691 112 HB3 SER 16 HB3 SER 16 -17.074 -5.591 -9.316 113 HG SER 16 HG SER 16 -17.182 -7.452 -8.135 114 H ILE 17 H ILE 17 -18.491 -3.418 -10.148 115 HA ILE 17 HA ILE 17 -17.536 -2.132 -7.933 116 HB ILE 17 HB ILE 17 -18.804 -1.155 -10.475 117 HG12 ILE 17 HG12 ILE 17 -16.625 -2.303 -10.611 118 HG13 ILE 17 HG13 ILE 17 -16.537 -0.625 -11.108 119 HG21 ILE 17 HG21 ILE 17 -17.486 0.589 -8.377 120 HG22 ILE 17 HG22 ILE 17 -18.119 1.103 -9.959 121 HG23 ILE 17 HG23 ILE 17 -19.235 0.518 -8.702 122 HD11 ILE 17 HD11 ILE 17 -14.999 -0.174 -9.510 123 HD12 ILE 17 HD12 ILE 17 -16.072 -0.811 -8.241 124 HD13 ILE 17 HD13 ILE 17 -14.977 -1.909 -9.114 125 H PHE 18 H PHE 18 -20.913 -2.070 -9.258 126 HA PHE 18 HA PHE 18 -21.957 -0.388 -7.326 127 HB2 PHE 18 HB2 PHE 18 -22.810 -2.362 -9.381 128 HB3 PHE 18 HB3 PHE 18 -23.936 -2.307 -8.039 129 HD1 PHE 18 HD1 PHE 18 -22.024 0.182 -10.079 130 HD2 PHE 18 HD2 PHE 18 -25.740 -0.926 -8.356 131 HE1 PHE 18 HE1 PHE 18 -23.089 2.233 -11.057 132 HE2 PHE 18 HE2 PHE 18 -26.806 1.126 -9.334 133 HZ PHE 18 HZ PHE 18 -25.467 2.681 -10.673 134 H GLY 19 H GLY 19 -21.156 -3.851 -7.227 135 HA2 GLY 19 HA2 GLY 19 -22.705 -4.361 -4.846 136 HA3 GLY 19 HA3 GLY 19 -21.600 -5.448 -5.664 137 H TYR 20 H TYR 20 -19.511 -3.118 -5.663 138 HA TYR 20 HA TYR 20 -17.624 -2.901 -4.453 139 HB2 TYR 20 HB2 TYR 20 -19.696 -1.274 -3.700 140 HB3 TYR 20 HB3 TYR 20 -19.486 -2.113 -2.175 141 HD1 TYR 20 HD1 TYR 20 -16.781 -2.318 -1.560 142 HD2 TYR 20 HD2 TYR 20 -18.674 0.796 -3.801 143 HE1 TYR 20 HE1 TYR 20 -14.898 -0.723 -0.948 144 HE2 TYR 20 HE2 TYR 20 -16.784 2.380 -3.182 145 HH TYR 20 HH TYR 20 -13.982 1.221 -1.364 146 H LYS 21 H LYS 21 -17.779 -5.494 -4.339 147 HA LYS 21 HA LYS 21 -16.767 -6.178 -1.831 148 HB2 LYS 21 HB2 LYS 21 -19.463 -6.007 -1.612 149 HB3 LYS 21 HB3 LYS 21 -19.314 -7.673 -2.133 150 HG2 LYS 21 HG2 LYS 21 -17.403 -6.775 -0.000 151 HG3 LYS 21 HG3 LYS 21 -19.087 -6.900 0.471 152 HD2 LYS 21 HD2 LYS 21 -18.840 -9.261 -0.873 153 HD3 LYS 21 HD3 LYS 21 -17.177 -9.062 -0.357 154 HE2 LYS 21 HE2 LYS 21 -18.096 -10.208 1.475 155 HE3 LYS 21 HE3 LYS 21 -18.222 -8.545 2.013 156 HZ1 LYS 21 HZ1 LYS 21 -20.402 -9.885 0.583 157 HZ2 LYS 21 HZ2 LYS 21 -20.267 -9.930 2.210 158 HZ3 LYS 21 HZ3 LYS 21 -20.474 -8.501 1.447 159 H ARG 22 H ARG 22 -18.837 -7.723 -4.394 160 HA ARG 22 HA ARG 22 -17.578 -10.062 -4.552 161 HB2 ARG 22 HB2 ARG 22 -19.339 -8.531 -6.208 162 HB3 ARG 22 HB3 ARG 22 -18.070 -9.108 -7.270 163 HG2 ARG 22 HG2 ARG 22 -18.552 -11.395 -5.835 164 HG3 ARG 22 HG3 ARG 22 -20.142 -10.660 -5.768 165 HD2 ARG 22 HD2 ARG 22 -20.371 -10.642 -8.153 166 HD3 ARG 22 HD3 ARG 22 -18.652 -10.864 -8.411 167 HE ARG 22 HE ARG 22 -19.741 -13.092 -6.921 168 HH11 ARG 22 HH22 ARG 22 -19.565 -11.736 -10.164 169 HH12 ARG 22 HH21 ARG 22 -19.768 -13.265 -10.952 170 HH21 ARG 22 HH12 ARG 22 -20.008 -15.110 -7.961 171 HH22 ARG 22 HH11 ARG 22 -20.022 -15.197 -9.691 172 H ARG 23 H ARG 23 -16.124 -10.847 -6.535 173 HA ARG 23 HA ARG 23 -14.218 -10.846 -7.553 174 HB2 ARG 23 HB2 ARG 23 -15.209 -8.216 -8.055 175 HB3 ARG 23 HB3 ARG 23 -13.516 -8.006 -7.656 176 HG2 ARG 23 HG2 ARG 23 -13.144 -10.035 -9.324 177 HG3 ARG 23 HG3 ARG 23 -14.739 -9.613 -9.916 178 HD2 ARG 23 HD2 ARG 23 -14.043 -7.523 -10.734 179 HD3 ARG 23 HD3 ARG 23 -12.731 -7.384 -9.580 180 HE ARG 23 HE ARG 23 -12.410 -9.595 -11.491 181 HH11 ARG 23 HH22 ARG 23 -11.774 -6.196 -10.842 182 HH12 ARG 23 HH21 ARG 23 -10.446 -6.101 -11.950 183 HH21 ARG 23 HH12 ARG 23 -10.658 -9.471 -12.953 184 HH22 ARG 23 HH11 ARG 23 -9.807 -7.977 -13.159 185 H GLY 24 H GLY 24 -13.159 -11.767 -5.670 186 HA2 GLY 24 HA2 GLY 24 -11.172 -11.731 -4.479 187 HA3 GLY 24 HA3 GLY 24 -11.167 -9.979 -4.498 188 H GLY 25 H GLY 25 -10.624 -11.240 -2.103 189 HA2 GLY 25 HA2 GLY 25 -13.133 -10.866 -0.575 190 HA3 GLY 25 HA3 GLY 25 -11.925 -12.073 -0.182 191 H VAL 26 H VAL 26 -10.307 -11.539 1.242 192 HA VAL 26 HA VAL 26 -9.641 -8.710 1.525 193 HB VAL 26 HB VAL 26 -11.386 -9.238 3.175 194 HG11 VAL 26 HG11 VAL 26 -9.976 -10.800 5.067 195 HG12 VAL 26 HG12 VAL 26 -11.443 -11.238 4.159 196 HG13 VAL 26 HG13 VAL 26 -9.837 -11.646 3.508 197 HG21 VAL 26 HG21 VAL 26 -8.680 -8.856 4.495 198 HG22 VAL 26 HG22 VAL 26 -9.569 -7.579 3.632 199 HG23 VAL 26 HG23 VAL 26 -10.264 -8.311 5.098 200 HA PRO 27 HA PRO 27 -6.060 -11.489 1.360 201 HB2 PRO 27 HB2 PRO 27 -4.802 -10.360 -0.787 202 HB3 PRO 27 HB3 PRO 27 -5.864 -11.748 -0.919 203 HG2 PRO 27 HG2 PRO 27 -6.388 -8.936 -1.664 204 HG3 PRO 27 HG3 PRO 27 -7.241 -10.382 -2.166 205 HD2 PRO 27 HD2 PRO 27 -8.109 -8.467 -0.215 206 HD3 PRO 27 HD3 PRO 27 -8.905 -9.971 -0.633 207 H SER 28 H SER 28 -3.559 -10.770 1.094 208 HA SER 28 HA SER 28 -3.181 -9.180 3.309 209 HB2 SER 28 HB2 SER 28 -1.460 -10.720 2.605 210 HB3 SER 28 HB3 SER 28 -1.338 -9.975 1.023 211 HG SER 28 HG SER 28 0.010 -8.499 1.801 212 H LEU 29 H LEU 29 -2.959 -8.428 -0.230 213 HA LEU 29 HA LEU 29 -1.998 -5.919 -0.202 214 HB2 LEU 29 HB2 LEU 29 -2.537 -7.101 -2.217 215 HB3 LEU 29 HB3 LEU 29 -4.250 -7.076 -1.844 216 HG LEU 29 HG LEU 29 -3.614 -4.388 -1.846 217 HD11 LEU 29 HD11 LEU 29 -1.410 -5.564 -3.031 218 HD12 LEU 29 HD12 LEU 29 -2.413 -5.075 -4.418 219 HD13 LEU 29 HD13 LEU 29 -1.924 -3.868 -3.204 220 HD21 LEU 29 HD21 LEU 29 -5.526 -5.777 -2.910 221 HD22 LEU 29 HD22 LEU 29 -5.049 -4.236 -3.662 222 HD23 LEU 29 HD23 LEU 29 -4.498 -5.777 -4.362 223 H ILE 30 H ILE 30 -5.480 -6.814 0.318 224 HA ILE 30 HA ILE 30 -6.460 -4.294 0.710 225 HB ILE 30 HB ILE 30 -7.205 -6.991 1.791 226 HG12 ILE 30 HG12 ILE 30 -7.580 -6.566 -0.585 227 HG13 ILE 30 HG13 ILE 30 -9.096 -6.751 0.274 228 HG21 ILE 30 HG21 ILE 30 -9.365 -5.885 2.543 229 HG22 ILE 30 HG22 ILE 30 -7.933 -5.619 3.566 230 HG23 ILE 30 HG23 ILE 30 -8.487 -4.339 2.460 231 HD11 ILE 30 HD11 ILE 30 -9.581 -4.837 -0.948 232 HD12 ILE 30 HD12 ILE 30 -8.891 -4.080 0.508 233 HD13 ILE 30 HD13 ILE 30 -7.889 -4.283 -0.950 234 H ALA 31 H ALA 31 -4.927 -6.506 3.133 235 HA ALA 31 HA ALA 31 -5.263 -4.910 5.350 236 HB1 ALA 31 HB1 ALA 31 -3.943 -7.294 4.646 237 HB2 ALA 31 HB2 ALA 31 -2.672 -6.242 5.314 238 HB3 ALA 31 HB3 ALA 31 -4.121 -6.611 6.280 239 H GLY 32 H GLY 32 -2.837 -4.757 2.706 240 HA2 GLY 32 HA2 GLY 32 -1.194 -2.797 3.952 241 HA3 GLY 32 HA3 GLY 32 -1.199 -3.270 2.265 242 H LEU 33 H LEU 33 -4.169 -2.733 1.978 243 HA LEU 33 HA LEU 33 -3.909 0.008 1.267 244 HB2 LEU 33 HB2 LEU 33 -5.220 -1.907 0.130 245 HB3 LEU 33 HB3 LEU 33 -6.470 -1.562 1.308 246 HG LEU 33 HG LEU 33 -6.360 0.869 0.471 247 HD11 LEU 33 HD11 LEU 33 -4.164 0.419 -0.762 248 HD12 LEU 33 HD12 LEU 33 -5.164 -0.365 -2.008 249 HD13 LEU 33 HD13 LEU 33 -5.413 1.354 -1.619 250 HD21 LEU 33 HD21 LEU 33 -7.674 -1.490 -0.626 251 HD22 LEU 33 HD22 LEU 33 -8.327 0.125 -0.259 252 HD23 LEU 33 HD23 LEU 33 -7.524 -0.177 -1.819 253 H PHE 34 H PHE 34 -5.464 -1.852 3.913 254 HA PHE 34 HA PHE 34 -6.880 0.344 4.961 255 HB2 PHE 34 HB2 PHE 34 -6.028 -2.450 5.689 256 HB3 PHE 34 HB3 PHE 34 -6.368 -1.419 7.065 257 HD1 PHE 34 HD2 PHE 34 -7.818 -2.961 4.053 258 HD2 PHE 34 HD1 PHE 34 -8.610 -0.776 7.604 259 HE1 PHE 34 HE2 PHE 34 -10.272 -3.412 3.783 260 HE2 PHE 34 HE1 PHE 34 -11.064 -1.227 7.334 261 HZ PHE 34 HZ PHE 34 -11.866 -2.540 5.427 262 H VAL 35 H VAL 35 -3.842 -1.315 6.093 263 HA VAL 35 HA VAL 35 -3.277 0.470 8.122 264 HB VAL 35 HB VAL 35 -2.245 -1.717 7.844 265 HG11 VAL 35 HG11 VAL 35 -2.016 -1.453 5.301 266 HG12 VAL 35 HG12 VAL 35 -0.506 -0.576 5.648 267 HG13 VAL 35 HG13 VAL 35 -0.689 -2.270 6.161 268 HG21 VAL 35 HG21 VAL 35 -0.758 -0.817 9.251 269 HG22 VAL 35 HG22 VAL 35 0.290 -0.542 7.838 270 HG23 VAL 35 HG23 VAL 35 -0.798 0.748 8.404 271 H GLY 36 H GLY 36 -2.136 0.460 4.676 272 HA2 GLY 36 HA2 GLY 36 -0.541 2.701 4.743 273 HA3 GLY 36 HA3 GLY 36 -1.452 2.144 3.353 274 H CYS 37 H CYS 37 -4.055 2.570 3.783 275 HA CYS 37 HA CYS 37 -4.417 5.242 3.436 276 HB2 CYS 37 HB2 CYS 37 -6.339 3.115 4.414 277 HB3 CYS 37 HB3 CYS 37 -6.845 4.758 4.076 278 HG CYS 37 HG CYS 37 -7.464 3.922 1.888 279 H LEU 38 H LEU 38 -4.639 3.257 6.459 280 HA LEU 38 HA LEU 38 -5.567 5.133 8.198 281 HB2 LEU 38 HB2 LEU 38 -4.536 2.582 8.329 282 HB3 LEU 38 HB3 LEU 38 -3.384 3.506 9.274 283 HG LEU 38 HG LEU 38 -5.143 2.523 10.665 284 HD11 LEU 38 HD11 LEU 38 -4.612 5.420 10.522 285 HD12 LEU 38 HD12 LEU 38 -6.048 4.962 11.468 286 HD13 LEU 38 HD13 LEU 38 -4.456 4.281 11.881 287 HD21 LEU 38 HD21 LEU 38 -6.936 2.561 8.945 288 HD22 LEU 38 HD22 LEU 38 -7.451 3.189 10.528 289 HD23 LEU 38 HD23 LEU 38 -7.094 4.316 9.197 290 H ALA 39 H ALA 39 -2.057 4.465 7.505 291 HA ALA 39 HA ALA 39 -1.127 6.659 8.949 292 HB1 ALA 39 HB1 ALA 39 0.793 5.607 8.454 293 HB2 ALA 39 HB2 ALA 39 -0.098 4.526 7.356 294 HB3 ALA 39 HB3 ALA 39 0.607 6.038 6.737 295 H GLY 40 H GLY 40 -1.140 6.319 5.328 296 HA2 GLY 40 HA2 GLY 40 -0.614 8.809 4.541 297 HA3 GLY 40 HA3 GLY 40 -1.817 7.809 3.750 298 H TYR 41 H TYR 41 -4.108 7.901 4.588 299 HA TYR 41 HA TYR 41 -5.199 10.330 4.544 300 HB2 TYR 41 HB2 TYR 41 -6.084 7.808 4.874 301 HB3 TYR 41 HB3 TYR 41 -6.103 8.225 6.576 302 HD1 TYR 41 HD2 TYR 41 -7.367 10.522 7.131 303 HD2 TYR 41 HD1 TYR 41 -8.025 8.138 3.639 304 HE1 TYR 41 HE2 TYR 41 -9.667 11.565 6.843 305 HE2 TYR 41 HE1 TYR 41 -10.323 9.190 3.363 306 HH TYR 41 HH TYR 41 -11.286 11.932 5.234 307 H GLY 42 H GLY 42 -4.251 8.629 7.615 308 HA2 GLY 42 HA2 GLY 42 -5.002 10.474 9.462 309 HA3 GLY 42 HA3 GLY 42 -3.567 9.476 9.591 310 H ALA 43 H ALA 43 -1.693 10.345 7.940 311 HA ALA 43 HA ALA 43 -0.810 12.730 9.027 312 HB1 ALA 43 HB1 ALA 43 0.480 10.850 7.843 313 HB2 ALA 43 HB2 ALA 43 0.006 11.635 6.317 314 HB3 ALA 43 HB3 ALA 43 1.003 12.516 7.499 315 H TYR 44 H TYR 44 -2.941 12.049 6.275 316 HA TYR 44 HA TYR 44 -2.669 14.559 5.015 317 HB2 TYR 44 HB2 TYR 44 -3.842 12.085 4.554 318 HB3 TYR 44 HB3 TYR 44 -5.261 12.991 5.040 319 HD1 TYR 44 HD1 TYR 44 -2.303 14.092 3.019 320 HD2 TYR 44 HD2 TYR 44 -6.508 13.309 3.091 321 HE1 TYR 44 HE1 TYR 44 -2.523 15.020 0.662 322 HE2 TYR 44 HE2 TYR 44 -6.715 14.239 0.734 323 HH TYR 44 HH TYR 44 -5.570 15.714 -0.723 324 H ARG 45 H ARG 45 -4.681 13.321 7.703 325 HA ARG 45 HA ARG 45 -6.663 15.102 7.771 326 HB2 ARG 45 HB2 ARG 45 -4.999 13.989 10.078 327 HB3 ARG 45 HB3 ARG 45 -6.473 14.898 10.345 328 HG2 ARG 45 HG2 ARG 45 -7.305 13.061 8.442 329 HG3 ARG 45 HG3 ARG 45 -6.119 12.124 9.328 330 HD2 ARG 45 HD2 ARG 45 -8.081 13.729 10.954 331 HD3 ARG 45 HD3 ARG 45 -8.701 12.315 10.126 332 HE ARG 45 HE ARG 45 -6.426 11.330 11.320 333 HH11 ARG 45 HH22 ARG 45 -9.149 13.190 12.548 334 HH12 ARG 45 HH21 ARG 45 -9.045 12.530 14.146 335 HH21 ARG 45 HH12 ARG 45 -6.288 10.459 13.428 336 HH22 ARG 45 HH11 ARG 45 -7.406 10.965 14.649 337 H VAL 46 H VAL 46 -3.318 15.549 9.111 338 HA VAL 46 HA VAL 46 -2.913 18.101 8.414 339 HB VAL 46 HB VAL 46 -4.944 17.950 10.503 340 HG11 VAL 46 HG11 VAL 46 -3.226 18.408 12.082 341 HG12 VAL 46 HG12 VAL 46 -2.442 19.584 11.000 342 HG13 VAL 46 HG13 VAL 46 -4.015 19.967 11.740 343 HG21 VAL 46 HG21 VAL 46 -5.774 19.665 9.328 344 HG22 VAL 46 HG22 VAL 46 -4.261 20.592 9.467 345 HG23 VAL 46 HG23 VAL 46 -4.451 19.388 8.170 346 H SER 47 H SER 47 -2.906 15.973 11.340 347 HA SER 47 HA SER 47 -0.529 16.918 12.363 348 HB2 SER 47 HB2 SER 47 -0.494 14.849 13.684 349 HB3 SER 47 HB3 SER 47 -2.127 15.480 13.604 350 HG SER 47 HG SER 47 -1.215 13.039 12.820 351 H ASN 48 H ASN 48 1.541 15.435 12.561 352 HA ASN 48 HA ASN 48 3.256 14.491 11.631 353 HB2 ASN 48 HB2 ASN 48 0.998 13.163 10.190 354 HB3 ASN 48 HB3 ASN 48 2.533 13.084 9.348 355 HD21 ASN 48 HD21 ASN 48 3.379 11.175 9.669 356 HD22 ASN 48 HD22 ASN 48 3.550 10.343 11.178 357 H ASP 49 H ASP 49 4.588 16.044 10.669 358 HA ASP 49 HA ASP 49 3.636 17.637 8.553 359 HB2 ASP 49 HB2 ASP 49 6.183 17.328 10.113 360 HB3 ASP 49 HB3 ASP 49 6.332 18.081 8.537 361 H LYS 50 H LYS 50 3.140 15.463 7.263 362 HA LYS 50 HA LYS 50 4.884 15.298 5.118 363 HB2 LYS 50 HB2 LYS 50 5.683 13.640 7.363 364 HB3 LYS 50 HB3 LYS 50 5.290 12.650 5.972 365 HG2 LYS 50 HG2 LYS 50 6.970 13.598 4.636 366 HG3 LYS 50 HG3 LYS 50 6.959 15.118 5.507 367 HD2 LYS 50 HD2 LYS 50 7.734 13.289 7.478 368 HD3 LYS 50 HD3 LYS 50 8.514 12.658 6.041 369 HE2 LYS 50 HE2 LYS 50 10.124 14.238 6.281 370 HE3 LYS 50 HE3 LYS 50 8.926 15.463 5.910 371 HZ1 LYS 50 HZ1 LYS 50 8.406 15.636 8.208 372 HZ2 LYS 50 HZ2 LYS 50 9.372 14.380 8.605 373 HZ3 LYS 50 HZ3 LYS 50 10.026 15.772 8.055 374 H ARG 51 H ARG 51 3.669 14.603 3.424 375 HA ARG 51 HA ARG 51 1.959 12.455 3.568 376 HB2 ARG 51 HB2 ARG 51 -0.262 13.670 3.371 377 HB3 ARG 51 HB3 ARG 51 0.470 13.791 4.959 378 HG2 ARG 51 HG2 ARG 51 0.608 16.053 4.808 379 HG3 ARG 51 HG3 ARG 51 1.438 15.960 3.268 380 HD2 ARG 51 HD2 ARG 51 -0.972 15.402 2.302 381 HD3 ARG 51 HD3 ARG 51 -1.544 16.110 3.799 382 HE ARG 51 HE ARG 51 -0.327 17.530 1.559 383 HH11 ARG 51 HH22 ARG 51 -0.878 17.629 5.033 384 HH12 ARG 51 HH21 ARG 51 -0.735 19.352 5.135 385 HH21 ARG 51 HH12 ARG 51 -0.138 19.803 1.693 386 HH22 ARG 51 HH11 ARG 51 -0.311 20.597 3.223 387 H ASP 52 H ASP 52 3.328 12.282 1.594 388 HA ASP 52 HA ASP 52 1.986 12.831 -0.687 389 HB2 ASP 52 HB2 ASP 52 3.599 15.122 0.249 390 HB3 ASP 52 HB3 ASP 52 4.061 14.605 -1.360 391 H VAL 53 H VAL 53 2.863 10.660 -0.981 392 HA VAL 53 HA VAL 53 4.284 9.208 -1.866 393 HB VAL 53 HB VAL 53 6.262 11.455 -2.248 394 HG11 VAL 53 HG11 VAL 53 6.019 8.654 -3.168 395 HG12 VAL 53 HG12 VAL 53 6.453 9.832 -4.429 396 HG13 VAL 53 HG13 VAL 53 7.460 9.680 -2.969 397 HG21 VAL 53 HG21 VAL 53 5.246 11.976 -4.360 398 HG22 VAL 53 HG22 VAL 53 4.075 10.646 -4.189 399 HG23 VAL 53 HG23 VAL 53 3.980 12.060 -3.112 400 H LYS 54 H LYS 54 6.245 11.648 -0.008 401 HA LYS 54 HA LYS 54 8.139 10.062 1.018 402 HB2 LYS 54 HB2 LYS 54 6.791 12.530 1.839 403 HB3 LYS 54 HB3 LYS 54 7.442 11.635 3.198 404 HG2 LYS 54 HG2 LYS 54 9.298 11.710 0.896 405 HG3 LYS 54 HG3 LYS 54 8.895 13.310 1.487 406 HD2 LYS 54 HD2 LYS 54 9.508 12.592 3.815 407 HD3 LYS 54 HD3 LYS 54 9.940 11.007 3.203 408 HE2 LYS 54 HE2 LYS 54 11.230 13.275 1.760 409 HE3 LYS 54 HE3 LYS 54 11.697 13.130 3.443 410 HZ1 LYS 54 HZ1 LYS 54 11.748 10.881 1.556 411 HZ2 LYS 54 HZ2 LYS 54 13.047 11.810 1.896 412 HZ3 LYS 54 HZ3 LYS 54 12.361 10.905 3.070 413 H VAL 55 H VAL 55 5.016 10.664 2.788 414 HA VAL 55 HA VAL 55 5.281 8.855 4.754 415 HB VAL 55 HB VAL 55 2.823 9.498 3.115 416 HG11 VAL 55 HG11 VAL 55 3.010 7.431 4.900 417 HG12 VAL 55 HG12 VAL 55 2.486 8.766 5.955 418 HG13 VAL 55 HG13 VAL 55 1.516 8.324 4.529 419 HG21 VAL 55 HG21 VAL 55 2.371 11.060 5.049 420 HG22 VAL 55 HG22 VAL 55 4.033 10.743 5.601 421 HG23 VAL 55 HG23 VAL 55 3.752 11.507 4.018 422 H SER 56 H SER 56 3.974 8.149 1.439 423 HA SER 56 HA SER 56 3.475 5.518 1.791 424 HB2 SER 56 HB2 SER 56 3.997 7.317 -0.468 425 HB3 SER 56 HB3 SER 56 4.552 5.691 -0.811 426 HG SER 56 HG SER 56 2.518 5.137 -1.127 427 H LEU 57 H LEU 57 6.600 7.094 0.840 428 HA LEU 57 HA LEU 57 8.065 4.780 0.459 429 HB2 LEU 57 HB2 LEU 57 8.879 6.873 -0.292 430 HB3 LEU 57 HB3 LEU 57 8.818 7.566 1.316 431 HG LEU 57 HG LEU 57 10.544 5.483 1.719 432 HD11 LEU 57 HD11 LEU 57 11.558 6.563 -0.874 433 HD12 LEU 57 HD12 LEU 57 11.895 5.015 -0.062 434 HD13 LEU 57 HD13 LEU 57 10.349 5.257 -0.911 435 HD21 LEU 57 HD21 LEU 57 12.232 7.557 1.014 436 HD22 LEU 57 HD22 LEU 57 10.705 8.382 1.408 437 HD23 LEU 57 HD23 LEU 57 11.470 7.307 2.603 438 H PHE 58 H PHE 58 7.139 6.524 3.441 439 HA PHE 58 HA PHE 58 8.881 5.002 5.095 440 HB2 PHE 58 HB2 PHE 58 6.773 7.111 5.233 441 HB3 PHE 58 HB3 PHE 58 6.731 6.041 6.620 442 HD1 PHE 58 HD1 PHE 58 9.184 5.561 7.636 443 HD2 PHE 58 HD2 PHE 58 8.066 9.003 5.420 444 HE1 PHE 58 HE1 PHE 58 11.067 6.848 8.685 445 HE2 PHE 58 HE2 PHE 58 9.949 10.290 6.469 446 HZ PHE 58 HZ PHE 58 11.426 9.197 8.089 447 H THR 59 H THR 59 5.654 4.566 3.735 448 HA THR 59 HA THR 59 4.752 2.699 5.688 449 HB THR 59 HB THR 59 3.879 3.299 2.812 450 HG1 THR 59 HG1 THR 59 2.856 4.068 5.450 451 HG21 THR 59 HG21 THR 59 1.796 2.251 3.350 452 HG22 THR 59 HG22 THR 59 3.010 1.107 3.972 453 HG23 THR 59 HG23 THR 59 2.172 2.211 5.089 454 H ALA 60 H ALA 60 6.196 2.377 2.385 455 HA ALA 60 HA ALA 60 6.171 -0.458 2.522 456 HB1 ALA 60 HB1 ALA 60 8.095 0.363 0.643 457 HB2 ALA 60 HB2 ALA 60 6.385 -0.014 0.326 458 HB3 ALA 60 HB3 ALA 60 6.880 1.664 0.652 459 H PHE 61 H PHE 61 8.477 2.146 3.373 460 HA PHE 61 HA PHE 61 10.748 0.576 3.630 461 HB2 PHE 61 HB2 PHE 61 10.677 3.070 3.664 462 HB3 PHE 61 HB3 PHE 61 9.677 3.053 5.103 463 HD1 PHE 61 HD2 PHE 61 12.956 1.583 4.056 464 HD2 PHE 61 HD1 PHE 61 10.757 3.654 7.037 465 HE1 PHE 61 HE2 PHE 61 15.014 1.707 5.489 466 HE2 PHE 61 HE1 PHE 61 12.814 3.778 8.469 467 HZ PHE 61 HZ PHE 61 14.918 2.803 7.678 468 H PHE 62 H PHE 62 8.237 1.495 6.085 469 HA PHE 62 HA PHE 62 9.478 0.075 8.172 470 HB2 PHE 62 HB2 PHE 62 7.469 1.930 7.874 471 HB3 PHE 62 HB3 PHE 62 6.479 0.489 7.994 472 HD1 PHE 62 HD1 PHE 62 8.927 2.589 9.774 473 HD2 PHE 62 HD2 PHE 62 6.190 -0.639 10.080 474 HE1 PHE 62 HE1 PHE 62 9.098 2.681 12.276 475 HE2 PHE 62 HE2 PHE 62 6.361 -0.547 12.582 476 HZ PHE 62 HZ PHE 62 7.814 1.112 13.651 477 H LEU 63 H LEU 63 6.861 -0.732 5.817 478 HA LEU 63 HA LEU 63 6.095 -3.138 6.959 479 HB2 LEU 63 HB2 LEU 63 5.210 -1.653 4.941 480 HB3 LEU 63 HB3 LEU 63 6.120 -2.815 3.997 481 HG LEU 63 HG LEU 63 4.560 -4.291 5.872 482 HD11 LEU 63 HD11 LEU 63 2.602 -2.778 4.248 483 HD12 LEU 63 HD12 LEU 63 2.466 -3.458 5.887 484 HD13 LEU 63 HD13 LEU 63 3.307 -1.910 5.632 485 HD21 LEU 63 HD21 LEU 63 3.614 -5.297 3.890 486 HD22 LEU 63 HD22 LEU 63 4.173 -3.937 2.887 487 HD23 LEU 63 HD23 LEU 63 5.356 -5.028 3.647 488 H ALA 64 H ALA 64 8.420 -2.591 4.214 489 HA ALA 64 HA ALA 64 9.263 -5.185 3.964 490 HB1 ALA 64 HB1 ALA 64 9.874 -2.721 2.863 491 HB2 ALA 64 HB2 ALA 64 11.395 -3.171 3.670 492 HB3 ALA 64 HB3 ALA 64 10.675 -4.258 2.458 493 H THR 65 H THR 65 10.651 -2.567 6.066 494 HA THR 65 HA THR 65 12.667 -4.105 7.198 495 HB THR 65 HB THR 65 11.049 -1.671 8.066 496 HG1 THR 65 HG1 THR 65 12.707 -0.848 6.856 497 HG21 THR 65 HG21 THR 65 13.568 -2.783 9.406 498 HG22 THR 65 HG22 THR 65 12.698 -1.294 9.845 499 HG23 THR 65 HG23 THR 65 11.944 -2.881 10.127 500 H ILE 66 H ILE 66 9.179 -4.058 7.823 501 HA ILE 66 HA ILE 66 9.453 -5.477 10.297 502 HB ILE 66 HB ILE 66 7.184 -4.563 8.569 503 HG12 ILE 66 HG12 ILE 66 8.316 -3.008 10.157 504 HG13 ILE 66 HG13 ILE 66 6.603 -3.224 10.459 505 HG21 ILE 66 HG21 ILE 66 6.447 -6.745 9.198 506 HG22 ILE 66 HG22 ILE 66 7.004 -6.518 10.873 507 HG23 ILE 66 HG23 ILE 66 5.628 -5.572 10.257 508 HD11 ILE 66 HD11 ILE 66 8.705 -3.586 12.310 509 HD12 ILE 66 HD12 ILE 66 6.996 -4.029 12.541 510 HD13 ILE 66 HD13 ILE 66 8.151 -5.231 11.916 511 H MET 67 H MET 67 9.144 -6.225 6.849 512 HA MET 67 HA MET 67 8.386 -8.921 7.340 513 HB2 MET 67 HB2 MET 67 8.963 -7.130 5.009 514 HB3 MET 67 HB3 MET 67 9.341 -8.817 4.726 515 HG2 MET 67 HG2 MET 67 6.799 -8.787 6.043 516 HG3 MET 67 HG3 MET 67 6.731 -7.528 4.826 517 HE1 MET 67 HE1 MET 67 6.026 -11.805 4.127 518 HE2 MET 67 HE2 MET 67 6.846 -11.261 5.610 519 HE3 MET 67 HE3 MET 67 5.276 -10.559 5.153 520 H GLY 68 H GLY 68 11.316 -7.465 5.733 521 HA2 GLY 68 HA2 GLY 68 13.023 -9.319 7.206 522 HA3 GLY 68 HA3 GLY 68 12.972 -9.505 5.464 523 H VAL 69 H VAL 69 13.907 -7.917 4.084 524 HA VAL 69 HA VAL 69 15.068 -5.583 5.372 525 HB VAL 69 HB VAL 69 16.796 -7.223 5.631 526 HG11 VAL 69 HG11 VAL 69 15.909 -8.750 3.806 527 HG12 VAL 69 HG12 VAL 69 16.767 -7.713 2.641 528 HG13 VAL 69 HG13 VAL 69 17.679 -8.589 3.894 529 HG21 VAL 69 HG21 VAL 69 17.271 -5.230 3.405 530 HG22 VAL 69 HG22 VAL 69 17.685 -5.091 5.130 531 HG23 VAL 69 HG23 VAL 69 18.578 -6.226 4.089 532 H ARG 70 H ARG 70 14.833 -7.520 2.306 533 HA ARG 70 HA ARG 70 13.563 -5.325 1.057 534 HB2 ARG 70 HB2 ARG 70 15.239 -4.925 -0.703 535 HB3 ARG 70 HB3 ARG 70 15.968 -4.636 0.864 536 HG2 ARG 70 HG2 ARG 70 16.434 -7.367 0.462 537 HG3 ARG 70 HG3 ARG 70 16.607 -6.705 -1.151 538 HD2 ARG 70 HD2 ARG 70 18.393 -5.267 -0.515 539 HD3 ARG 70 HD3 ARG 70 17.969 -5.327 1.184 540 HE ARG 70 HE ARG 70 19.249 -7.269 1.400 541 HH11 ARG 70 HH22 ARG 70 18.457 -6.804 -1.997 542 HH12 ARG 70 HH21 ARG 70 19.450 -8.116 -2.539 543 HH21 ARG 70 HH12 ARG 70 20.558 -9.000 0.685 544 HH22 ARG 70 HH11 ARG 70 20.652 -9.373 -1.004 545 H PHE 71 H PHE 71 12.559 -5.979 -0.973 546 HA PHE 71 HA PHE 71 12.023 -8.735 -1.118 547 HB2 PHE 71 HB2 PHE 71 10.493 -7.989 -2.799 548 HB3 PHE 71 HB3 PHE 71 10.709 -6.534 -1.846 549 HD1 PHE 71 HD2 PHE 71 12.757 -5.019 -2.654 550 HD2 PHE 71 HD1 PHE 71 10.678 -7.804 -5.089 551 HE1 PHE 71 HE2 PHE 71 13.505 -3.783 -4.707 552 HE2 PHE 71 HE1 PHE 71 11.426 -6.569 -7.142 553 HZ PHE 71 HZ PHE 71 12.831 -4.573 -6.926 554 H LYS 72 H LYS 72 12.339 -10.140 -3.050 555 HA LYS 72 HA LYS 72 14.658 -9.394 -4.656 556 HB2 LYS 72 HB2 LYS 72 14.637 -11.400 -2.536 557 HB3 LYS 72 HB3 LYS 72 15.065 -12.097 -4.086 558 HG2 LYS 72 HG2 LYS 72 16.922 -10.616 -4.379 559 HG3 LYS 72 HG3 LYS 72 16.338 -9.496 -3.165 560 HD2 LYS 72 HD2 LYS 72 16.997 -12.339 -2.355 561 HD3 LYS 72 HD3 LYS 72 18.302 -11.193 -2.588 562 HE2 LYS 72 HE2 LYS 72 17.327 -9.662 -0.921 563 HE3 LYS 72 HE3 LYS 72 15.904 -10.673 -0.767 564 HZ1 LYS 72 HZ1 LYS 72 17.594 -12.466 -0.155 565 HZ2 LYS 72 HZ2 LYS 72 18.622 -11.229 0.126 566 HZ3 LYS 72 HZ3 LYS 72 17.224 -11.335 0.963 567 H ARG 73 H ARG 73 14.960 -11.277 -6.404 568 HA ARG 73 HA ARG 73 12.574 -11.250 -7.834 569 HB2 ARG 73 HB2 ARG 73 15.179 -12.804 -8.209 570 HB3 ARG 73 HB3 ARG 73 13.874 -12.863 -9.377 571 HG2 ARG 73 HG2 ARG 73 15.125 -11.113 -10.270 572 HG3 ARG 73 HG3 ARG 73 14.028 -10.205 -9.249 573 HD2 ARG 73 HD2 ARG 73 15.711 -9.513 -7.866 574 HD3 ARG 73 HD3 ARG 73 16.394 -11.123 -7.750 575 HE ARG 73 HE ARG 73 17.064 -10.336 -10.323 576 HH11 ARG 73 HH22 ARG 73 17.530 -8.923 -7.134 577 HH12 ARG 73 HH21 ARG 73 18.993 -8.105 -7.570 578 HH21 ARG 73 HH12 ARG 73 18.995 -9.258 -10.898 579 HH22 ARG 73 HH11 ARG 73 19.832 -8.297 -9.725 580 H SER 74 H SER 74 10.828 -12.382 -6.940 581 HA SER 74 HA SER 74 10.673 -15.078 -7.273 582 HB2 SER 74 HB2 SER 74 11.852 -14.305 -4.662 583 HB3 SER 74 HB3 SER 74 10.477 -15.383 -4.522 584 HG SER 74 HG SER 74 12.396 -16.624 -4.729 585 H LYS 75 H LYS 75 8.698 -15.965 -5.698 586 HA LYS 75 HA LYS 75 6.859 -13.743 -5.244 587 HB2 LYS 75 HB2 LYS 75 5.069 -14.902 -6.452 588 HB3 LYS 75 HB3 LYS 75 6.395 -14.471 -7.514 589 HG2 LYS 75 HG2 LYS 75 6.776 -17.136 -6.313 590 HG3 LYS 75 HG3 LYS 75 5.271 -17.033 -7.205 591 HD2 LYS 75 HD2 LYS 75 6.497 -17.376 -9.088 592 HD3 LYS 75 HD3 LYS 75 7.081 -15.734 -8.901 593 HE2 LYS 75 HE2 LYS 75 9.008 -16.527 -7.567 594 HE3 LYS 75 HE3 LYS 75 8.397 -18.169 -7.604 595 HZ1 LYS 75 HZ1 LYS 75 9.150 -16.619 -9.985 596 HZ2 LYS 75 HZ2 LYS 75 10.077 -17.764 -9.281 597 HZ3 LYS 75 HZ3 LYS 75 8.657 -18.176 -9.974 598 H LYS 76 H LYS 76 7.660 -14.305 -3.013 599 HA LYS 76 HA LYS 76 6.643 -16.843 -2.030 600 HB2 LYS 76 HB2 LYS 76 8.778 -15.026 -1.316 601 HB3 LYS 76 HB3 LYS 76 7.752 -15.319 0.074 602 HG2 LYS 76 HG2 LYS 76 8.338 -17.541 0.214 603 HG3 LYS 76 HG3 LYS 76 8.355 -17.757 -1.525 604 HD2 LYS 76 HD2 LYS 76 10.513 -15.994 -1.000 605 HD3 LYS 76 HD3 LYS 76 10.584 -17.177 0.291 606 HE2 LYS 76 HE2 LYS 76 10.426 -17.862 -2.684 607 HE3 LYS 76 HE3 LYS 76 11.901 -17.867 -1.738 608 HZ1 LYS 76 HZ1 LYS 76 10.131 -19.916 -1.990 609 HZ2 LYS 76 HZ2 LYS 76 11.380 -19.839 -0.941 610 HZ3 LYS 76 HZ3 LYS 76 9.887 -19.373 -0.470 611 H ILE 77 H ILE 77 6.472 -13.372 -0.951 612 HA ILE 77 HA ILE 77 3.659 -13.901 -0.293 613 HB ILE 77 HB ILE 77 5.718 -12.401 1.325 614 HG12 ILE 77 HG12 ILE 77 5.712 -14.889 1.514 615 HG13 ILE 77 HG13 ILE 77 5.363 -14.051 3.012 616 HG21 ILE 77 HG21 ILE 77 2.874 -11.974 1.125 617 HG22 ILE 77 HG22 ILE 77 3.298 -12.563 2.750 618 HG23 ILE 77 HG23 ILE 77 4.089 -11.109 2.097 619 HD11 ILE 77 HD11 ILE 77 2.923 -14.600 1.447 620 HD12 ILE 77 HD12 ILE 77 3.813 -16.077 1.887 621 HD13 ILE 77 HD13 ILE 77 3.277 -14.950 3.156 622 H MET 78 H MET 78 3.953 -13.087 -2.763 623 HA MET 78 HA MET 78 3.837 -11.451 -4.230 624 HB2 MET 78 HB2 MET 78 1.611 -11.524 -2.640 625 HB3 MET 78 HB3 MET 78 2.091 -9.865 -2.341 626 HG2 MET 78 HG2 MET 78 2.121 -9.436 -4.816 627 HG3 MET 78 HG3 MET 78 1.621 -11.091 -5.104 628 HE1 MET 78 HE1 MET 78 -0.229 -7.431 -4.455 629 HE2 MET 78 HE2 MET 78 0.715 -8.230 -5.736 630 HE3 MET 78 HE3 MET 78 -1.064 -8.295 -5.769 631 HA PRO 79 HA PRO 79 6.601 -8.523 -2.058 632 HB2 PRO 79 HB2 PRO 79 8.942 -9.147 -3.322 633 HB3 PRO 79 HB3 PRO 79 8.483 -9.818 -1.770 634 HG2 PRO 79 HG2 PRO 79 8.462 -11.111 -4.428 635 HG3 PRO 79 HG3 PRO 79 8.422 -11.858 -2.844 636 HD2 PRO 79 HD2 PRO 79 6.210 -11.523 -4.639 637 HD3 PRO 79 HD3 PRO 79 6.149 -12.165 -3.009 638 H ALA 80 H ALA 80 7.270 -9.379 -5.428 639 HA ALA 80 HA ALA 80 7.897 -6.883 -6.306 640 HB1 ALA 80 HB1 ALA 80 8.144 -8.207 -8.107 641 HB2 ALA 80 HB2 ALA 80 7.050 -9.432 -7.421 642 HB3 ALA 80 HB3 ALA 80 6.388 -8.078 -8.369 643 H GLY 81 H GLY 81 4.588 -8.391 -6.257 644 HA2 GLY 81 HA2 GLY 81 3.049 -6.447 -7.282 645 HA3 GLY 81 HA3 GLY 81 2.579 -7.406 -5.892 646 H LEU 82 H LEU 82 4.144 -6.558 -3.810 647 HA LEU 82 HA LEU 82 2.936 -4.271 -2.951 648 HB2 LEU 82 HB2 LEU 82 5.539 -5.581 -2.196 649 HB3 LEU 82 HB3 LEU 82 4.949 -4.154 -1.368 650 HG LEU 82 HG LEU 82 3.379 -6.734 -1.594 651 HD11 LEU 82 HD11 LEU 82 4.226 -7.500 0.396 652 HD12 LEU 82 HD12 LEU 82 5.668 -6.719 -0.298 653 HD13 LEU 82 HD13 LEU 82 4.712 -5.879 0.946 654 HD21 LEU 82 HD21 LEU 82 2.379 -5.526 0.572 655 HD22 LEU 82 HD22 LEU 82 2.883 -4.083 -0.340 656 HD23 LEU 82 HD23 LEU 82 1.750 -5.247 -1.069 657 H VAL 83 H VAL 83 6.168 -4.603 -4.556 658 HA VAL 83 HA VAL 83 6.845 -1.920 -4.453 659 HB VAL 83 HB VAL 83 7.511 -4.055 -6.488 660 HG11 VAL 83 HG11 VAL 83 8.559 -1.264 -6.076 661 HG12 VAL 83 HG12 VAL 83 9.636 -2.542 -6.688 662 HG13 VAL 83 HG13 VAL 83 8.160 -2.116 -7.587 663 HG21 VAL 83 HG21 VAL 83 9.195 -4.772 -5.120 664 HG22 VAL 83 HG22 VAL 83 9.424 -3.173 -4.372 665 HG23 VAL 83 HG23 VAL 83 8.059 -4.201 -3.874 666 H ALA 84 H ALA 84 4.766 -3.764 -6.723 667 HA ALA 84 HA ALA 84 4.521 -1.692 -8.614 668 HB1 ALA 84 HB1 ALA 84 4.018 -4.203 -8.841 669 HB2 ALA 84 HB2 ALA 84 2.476 -3.854 -8.024 670 HB3 ALA 84 HB3 ALA 84 2.853 -3.081 -9.583 671 H GLY 85 H GLY 85 3.000 -2.400 -5.487 672 HA2 GLY 85 HA2 GLY 85 0.726 -0.724 -5.830 673 HA3 GLY 85 HA3 GLY 85 1.367 -1.362 -4.328 674 H LEU 86 H LEU 86 3.963 -0.310 -4.228 675 HA LEU 86 HA LEU 86 3.470 2.268 -3.296 676 HB2 LEU 86 HB2 LEU 86 5.916 0.632 -3.852 677 HB3 LEU 86 HB3 LEU 86 6.083 2.328 -3.442 678 HG LEU 86 HG LEU 86 6.327 0.733 -1.526 679 HD11 LEU 86 HD11 LEU 86 5.837 3.090 -1.153 680 HD12 LEU 86 HD12 LEU 86 4.093 2.769 -1.304 681 HD13 LEU 86 HD13 LEU 86 5.011 2.073 0.053 682 HD21 LEU 86 HD21 LEU 86 4.187 -0.137 -0.526 683 HD22 LEU 86 HD22 LEU 86 3.390 0.250 -2.070 684 HD23 LEU 86 HD23 LEU 86 4.712 -0.941 -2.025 685 H SER 87 H SER 87 4.885 1.056 -6.391 686 HA SER 87 HA SER 87 5.595 3.512 -7.389 687 HB2 SER 87 HB2 SER 87 5.405 0.806 -8.324 688 HB3 SER 87 HB3 SER 87 4.628 1.817 -9.526 689 HG SER 87 HG SER 87 7.106 1.434 -9.571 690 H LEU 88 H LEU 88 2.546 1.597 -7.940 691 HA LEU 88 HA LEU 88 1.244 3.394 -9.539 692 HB2 LEU 88 HB2 LEU 88 0.546 1.137 -7.814 693 HB3 LEU 88 HB3 LEU 88 -0.753 2.302 -7.981 694 HG LEU 88 HG LEU 88 0.691 1.106 -10.356 695 HD11 LEU 88 HD11 LEU 88 -0.626 -0.726 -10.384 696 HD12 LEU 88 HD12 LEU 88 -0.698 -0.434 -8.629 697 HD13 LEU 88 HD13 LEU 88 -2.021 0.125 -9.680 698 HD21 LEU 88 HD21 LEU 88 -2.103 2.006 -10.597 699 HD22 LEU 88 HD22 LEU 88 -0.929 3.297 -10.247 700 HD23 LEU 88 HD23 LEU 88 -0.710 2.258 -11.676 701 H MET 89 H MET 89 1.599 3.359 -5.963 702 HA MET 89 HA MET 89 -0.238 5.346 -5.439 703 HB2 MET 89 HB2 MET 89 1.878 3.877 -4.077 704 HB3 MET 89 HB3 MET 89 2.009 5.566 -3.629 705 HG2 MET 89 HG2 MET 89 0.379 5.104 -2.095 706 HG3 MET 89 HG3 MET 89 -0.730 5.173 -3.450 707 HE1 MET 89 HE1 MET 89 0.586 1.905 -0.845 708 HE2 MET 89 HE2 MET 89 0.462 3.674 -0.690 709 HE3 MET 89 HE3 MET 89 -1.004 2.668 -0.599 710 H MET 90 H MET 90 3.342 5.566 -6.010 711 HA MET 90 HA MET 90 3.585 8.256 -5.629 712 HB2 MET 90 HB2 MET 90 5.014 6.190 -7.345 713 HB3 MET 90 HB3 MET 90 5.496 7.870 -7.478 714 HG2 MET 90 HG2 MET 90 6.037 7.982 -5.093 715 HG3 MET 90 HG3 MET 90 5.336 6.402 -4.805 716 HE1 MET 90 HE1 MET 90 6.639 5.052 -4.018 717 HE2 MET 90 HE2 MET 90 7.929 4.161 -4.862 718 HE3 MET 90 HE3 MET 90 8.337 5.550 -3.826 719 H ILE 91 H ILE 91 3.067 6.504 -8.778 720 HA ILE 91 HA ILE 91 2.938 8.706 -10.403 721 HB ILE 91 HB ILE 91 1.510 6.053 -10.556 722 HG12 ILE 91 HG12 ILE 91 3.883 6.880 -12.203 723 HG13 ILE 91 HG13 ILE 91 4.125 6.341 -10.553 724 HG21 ILE 91 HG21 ILE 91 0.233 7.384 -11.987 725 HG22 ILE 91 HG22 ILE 91 1.642 8.328 -12.528 726 HG23 ILE 91 HG23 ILE 91 1.443 6.640 -13.060 727 HD11 ILE 91 HD11 ILE 91 2.300 4.477 -11.669 728 HD12 ILE 91 HD12 ILE 91 3.529 4.760 -12.925 729 HD13 ILE 91 HD13 ILE 91 4.021 4.209 -11.306 730 H LEU 92 H LEU 92 0.193 7.045 -8.698 731 HA LEU 92 HA LEU 92 -1.775 8.795 -9.537 732 HB2 LEU 92 HB2 LEU 92 -1.582 6.544 -7.946 733 HB3 LEU 92 HB3 LEU 92 -2.118 7.776 -6.821 734 HG LEU 92 HG LEU 92 -4.017 8.305 -8.345 735 HD11 LEU 92 HD11 LEU 92 -3.964 5.845 -9.867 736 HD12 LEU 92 HD12 LEU 92 -4.171 7.525 -10.418 737 HD13 LEU 92 HD13 LEU 92 -2.537 6.847 -10.223 738 HD21 LEU 92 HD21 LEU 92 -4.326 6.817 -6.439 739 HD22 LEU 92 HD22 LEU 92 -5.337 6.309 -7.813 740 HD23 LEU 92 HD23 LEU 92 -3.843 5.420 -7.431 741 H ARG 93 H ARG 93 0.763 9.135 -7.089 742 HA ARG 93 HA ARG 93 -0.480 11.278 -5.769 743 HB2 ARG 93 HB2 ARG 93 1.918 9.706 -5.501 744 HB3 ARG 93 HB3 ARG 93 2.415 11.386 -5.538 745 HG2 ARG 93 HG2 ARG 93 1.972 10.844 -3.226 746 HG3 ARG 93 HG3 ARG 93 0.662 11.879 -3.760 747 HD2 ARG 93 HD2 ARG 93 -0.784 9.887 -4.142 748 HD3 ARG 93 HD3 ARG 93 0.529 8.825 -3.677 749 HE ARG 93 HE ARG 93 0.167 10.673 -1.550 750 HH11 ARG 93 HH22 ARG 93 -1.617 8.075 -3.117 751 HH12 ARG 93 HH21 ARG 93 -2.513 7.660 -1.693 752 HH21 ARG 93 HH12 ARG 93 -1.014 10.125 0.328 753 HH22 ARG 93 HH11 ARG 93 -2.167 8.833 0.279 754 H LEU 94 H LEU 94 1.657 10.904 -8.596 755 HA LEU 94 HA LEU 94 2.626 13.500 -8.770 756 HB2 LEU 94 HB2 LEU 94 2.649 11.109 -10.297 757 HB3 LEU 94 HB3 LEU 94 2.149 12.402 -11.369 758 HG LEU 94 HG LEU 94 4.412 13.251 -9.773 759 HD11 LEU 94 HD11 LEU 94 4.516 10.506 -10.869 760 HD12 LEU 94 HD12 LEU 94 5.901 11.553 -11.262 761 HD13 LEU 94 HD13 LEU 94 5.455 11.266 -9.562 762 HD21 LEU 94 HD21 LEU 94 3.816 12.944 -12.716 763 HD22 LEU 94 HD22 LEU 94 3.907 14.431 -11.742 764 HD23 LEU 94 HD23 LEU 94 5.389 13.519 -12.115 765 H VAL 95 H VAL 95 -0.431 12.011 -9.980 766 HA VAL 95 HA VAL 95 -1.275 14.482 -11.157 767 HB VAL 95 HB VAL 95 -2.578 11.804 -10.669 768 HG11 VAL 95 HG11 VAL 95 -3.743 14.225 -12.087 769 HG12 VAL 95 HG12 VAL 95 -4.443 12.589 -12.088 770 HG13 VAL 95 HG13 VAL 95 -4.325 13.505 -10.567 771 HG21 VAL 95 HG21 VAL 95 -1.660 13.182 -13.216 772 HG22 VAL 95 HG22 VAL 95 -0.808 11.863 -12.378 773 HG23 VAL 95 HG23 VAL 95 -2.408 11.571 -13.102 774 H LEU 96 H LEU 96 -1.738 12.695 -8.092 775 HA LEU 96 HA LEU 96 -3.927 13.973 -7.087 776 HB2 LEU 96 HB2 LEU 96 -2.245 12.115 -6.188 777 HB3 LEU 96 HB3 LEU 96 -1.616 13.475 -5.278 778 HG LEU 96 HG LEU 96 -3.235 12.190 -3.980 779 HD11 LEU 96 HD11 LEU 96 -3.996 15.012 -4.729 780 HD12 LEU 96 HD12 LEU 96 -4.840 14.108 -3.449 781 HD13 LEU 96 HD13 LEU 96 -3.096 14.434 -3.307 782 HD21 LEU 96 HD21 LEU 96 -4.567 11.492 -6.046 783 HD22 LEU 96 HD22 LEU 96 -5.484 11.861 -4.566 784 HD23 LEU 96 HD23 LEU 96 -5.409 13.052 -5.887 785 H LEU 97 H LEU 97 -0.488 15.085 -7.084 786 HA LEU 97 HA LEU 97 -0.618 17.272 -5.544 787 HB2 LEU 97 HB2 LEU 97 1.267 16.291 -7.011 788 HB3 LEU 97 HB3 LEU 97 0.687 17.388 -8.248 789 HG LEU 97 HG LEU 97 1.059 18.785 -5.728 790 HD11 LEU 97 HD11 LEU 97 3.237 18.406 -5.174 791 HD12 LEU 97 HD12 LEU 97 2.797 16.776 -5.737 792 HD13 LEU 97 HD13 LEU 97 3.686 17.879 -6.814 793 HD21 LEU 97 HD21 LEU 97 0.927 20.124 -7.611 794 HD22 LEU 97 HD22 LEU 97 2.679 20.078 -7.298 795 HD23 LEU 97 HD23 LEU 97 1.976 19.058 -8.576 796 H LEU 98 H LEU 98 -1.542 17.208 -9.059 797 HA LEU 98 HA LEU 98 -2.407 19.817 -9.203 798 HB2 LEU 98 HB2 LEU 98 -2.185 17.723 -10.907 799 HB3 LEU 98 HB3 LEU 98 -3.928 17.802 -10.741 800 HG LEU 98 HG LEU 98 -3.210 19.068 -12.672 801 HD11 LEU 98 HD11 LEU 98 -4.228 20.771 -10.388 802 HD12 LEU 98 HD12 LEU 98 -4.170 21.316 -12.082 803 HD13 LEU 98 HD13 LEU 98 -5.174 19.917 -11.631 804 HD21 LEU 98 HD21 LEU 98 -1.144 19.923 -12.585 805 HD22 LEU 98 HD22 LEU 98 -1.925 21.339 -11.841 806 HD23 LEU 98 HD23 LEU 98 -1.178 20.092 -10.813 807 H LEU 99 H LEU 99 -4.350 16.836 -8.466 808 HA LEU 99 HA LEU 99 -6.786 17.937 -8.140 809 HB2 LEU 99 HB2 LEU 99 -5.394 15.578 -7.268 810 HB3 LEU 99 HB3 LEU 99 -6.455 16.136 -5.990 811 HG LEU 99 HG LEU 99 -8.208 16.287 -7.994 812 HD11 LEU 99 HD11 LEU 99 -6.164 14.273 -8.942 813 HD12 LEU 99 HD12 LEU 99 -7.860 14.269 -9.481 814 HD13 LEU 99 HD13 LEU 99 -6.825 15.678 -9.814 815 HD21 LEU 99 HD21 LEU 99 -7.951 14.753 -5.808 816 HD22 LEU 99 HD22 LEU 99 -9.234 14.519 -7.020 817 HD23 LEU 99 HD23 LEU 99 -7.774 13.501 -7.060 Start of MODEL 6 1 H MET 1 H1 MET 1 -29.992 -16.687 -19.092 2 HA MET 1 HA MET 1 -28.687 -15.699 -20.751 3 HB2 MET 1 HB2 MET 1 -27.931 -15.819 -18.101 4 HB3 MET 1 HB3 MET 1 -26.479 -16.455 -18.849 5 HG2 MET 1 HG2 MET 1 -26.253 -14.025 -18.643 6 HG3 MET 1 HG3 MET 1 -26.380 -14.431 -20.343 7 HE1 MET 1 HE1 MET 1 -29.573 -12.533 -17.671 8 HE2 MET 1 HE2 MET 1 -29.537 -14.313 -17.705 9 HE3 MET 1 HE3 MET 1 -28.100 -13.403 -17.179 10 H ASP 2 H ASP 2 -28.256 -16.671 -22.724 11 HA ASP 2 HA ASP 2 -26.539 -18.969 -22.749 12 HB2 ASP 2 HB2 ASP 2 -27.809 -17.414 -25.052 13 HB3 ASP 2 HB3 ASP 2 -27.024 -18.975 -25.194 14 H LEU 3 H LEU 3 -26.727 -15.729 -24.429 15 HA LEU 3 HA LEU 3 -24.193 -15.770 -25.517 16 HB2 LEU 3 HB2 LEU 3 -26.354 -13.903 -25.143 17 HB3 LEU 3 HB3 LEU 3 -24.820 -13.099 -24.877 18 HG LEU 3 HG LEU 3 -25.588 -12.895 -27.196 19 HD11 LEU 3 HD11 LEU 3 -23.160 -14.675 -27.247 20 HD12 LEU 3 HD12 LEU 3 -23.519 -13.226 -28.216 21 HD13 LEU 3 HD13 LEU 3 -23.116 -13.064 -26.490 22 HD21 LEU 3 HD21 LEU 3 -25.983 -14.663 -28.646 23 HD22 LEU 3 HD22 LEU 3 -25.106 -15.832 -27.630 24 HD23 LEU 3 HD23 LEU 3 -26.702 -15.231 -27.120 25 H ILE 4 H ILE 4 -22.425 -14.047 -24.837 26 HA ILE 4 HA ILE 4 -21.888 -14.588 -22.006 27 HB ILE 4 HB ILE 4 -20.343 -15.568 -23.647 28 HG12 ILE 4 HG12 ILE 4 -18.231 -14.386 -22.648 29 HG13 ILE 4 HG13 ILE 4 -19.392 -13.506 -21.673 30 HG21 ILE 4 HG21 ILE 4 -19.673 -12.702 -24.371 31 HG22 ILE 4 HG22 ILE 4 -18.849 -14.165 -24.960 32 HG23 ILE 4 HG23 ILE 4 -20.546 -13.861 -25.402 33 HD11 ILE 4 HD11 ILE 4 -19.474 -15.278 -20.268 34 HD12 ILE 4 HD12 ILE 4 -20.229 -16.224 -21.574 35 HD13 ILE 4 HD13 ILE 4 -18.461 -16.242 -21.369 36 H GLY 5 H GLY 5 -21.591 -12.059 -24.589 37 HA2 GLY 5 HA2 GLY 5 -21.300 -9.816 -24.390 38 HA3 GLY 5 HA3 GLY 5 -22.721 -9.964 -23.376 39 H PHE 6 H PHE 6 -19.130 -10.529 -23.145 40 HA PHE 6 HA PHE 6 -18.734 -10.502 -20.524 41 HB2 PHE 6 HB2 PHE 6 -17.234 -10.160 -22.819 42 HB3 PHE 6 HB3 PHE 6 -17.096 -8.545 -22.152 43 HD1 PHE 6 HD2 PHE 6 -16.956 -12.018 -20.762 44 HD2 PHE 6 HD1 PHE 6 -15.132 -8.195 -21.020 45 HE1 PHE 6 HE2 PHE 6 -15.107 -12.798 -19.255 46 HE2 PHE 6 HE1 PHE 6 -13.283 -8.975 -19.512 47 HZ PHE 6 HZ PHE 6 -13.292 -11.268 -18.648 48 H GLY 7 H GLY 7 -19.121 -7.491 -22.521 49 HA2 GLY 7 HA2 GLY 7 -18.738 -5.508 -20.786 50 HA3 GLY 7 HA3 GLY 7 -20.077 -5.517 -21.916 51 H TYR 8 H TYR 8 -21.906 -7.292 -21.029 52 HA TYR 8 HA TYR 8 -23.245 -6.038 -19.028 53 HB2 TYR 8 HB2 TYR 8 -24.121 -7.822 -20.556 54 HB3 TYR 8 HB3 TYR 8 -23.028 -8.998 -19.853 55 HD1 TYR 8 HD1 TYR 8 -26.065 -6.968 -19.215 56 HD2 TYR 8 HD2 TYR 8 -23.585 -10.170 -17.835 57 HE1 TYR 8 HE1 TYR 8 -27.857 -7.645 -17.544 58 HE2 TYR 8 HE2 TYR 8 -25.385 -10.836 -16.168 59 HH TYR 8 HH TYR 8 -27.223 -9.967 -15.064 60 H ALA 9 H ALA 9 -21.047 -8.909 -18.688 61 HA ALA 9 HA ALA 9 -21.387 -9.237 -15.959 62 HB1 ALA 9 HB1 ALA 9 -18.676 -9.785 -16.963 63 HB2 ALA 9 HB2 ALA 9 -19.893 -10.900 -16.297 64 HB3 ALA 9 HB3 ALA 9 -19.957 -10.434 -18.014 65 H ALA 10 H ALA 10 -19.309 -7.013 -17.852 66 HA ALA 10 HA ALA 10 -17.767 -6.157 -15.646 67 HB1 ALA 10 HB1 ALA 10 -17.723 -4.094 -17.482 68 HB2 ALA 10 HB2 ALA 10 -16.665 -5.525 -17.521 69 HB3 ALA 10 HB3 ALA 10 -18.154 -5.492 -18.495 70 H LEU 11 H LEU 11 -20.969 -5.343 -16.943 71 HA LEU 11 HA LEU 11 -21.163 -2.874 -15.535 72 HB2 LEU 11 HB2 LEU 11 -22.618 -4.315 -17.510 73 HB3 LEU 11 HB3 LEU 11 -23.714 -3.976 -16.186 74 HG LEU 11 HG LEU 11 -22.898 -1.540 -16.352 75 HD11 LEU 11 HD11 LEU 11 -21.637 -2.741 -18.788 76 HD12 LEU 11 HD12 LEU 11 -22.263 -1.076 -18.857 77 HD13 LEU 11 HD13 LEU 11 -21.014 -1.509 -17.665 78 HD21 LEU 11 HD21 LEU 11 -24.708 -2.986 -18.243 79 HD22 LEU 11 HD22 LEU 11 -25.086 -1.795 -16.975 80 HD23 LEU 11 HD23 LEU 11 -24.377 -1.258 -18.517 81 H VAL 12 H VAL 12 -22.289 -6.266 -15.007 82 HA VAL 12 HA VAL 12 -23.756 -5.786 -12.711 83 HB VAL 12 HB VAL 12 -22.179 -8.179 -13.662 84 HG11 VAL 12 HG11 VAL 12 -23.790 -7.772 -11.179 85 HG12 VAL 12 HG12 VAL 12 -23.971 -9.318 -12.042 86 HG13 VAL 12 HG13 VAL 12 -22.367 -8.802 -11.468 87 HG21 VAL 12 HG21 VAL 12 -24.284 -7.139 -14.883 88 HG22 VAL 12 HG22 VAL 12 -24.094 -8.901 -14.714 89 HG23 VAL 12 HG23 VAL 12 -25.171 -8.012 -13.610 90 H THR 13 H THR 13 -20.279 -6.799 -13.039 91 HA THR 13 HA THR 13 -19.700 -6.716 -10.320 92 HB THR 13 HB THR 13 -18.271 -7.801 -12.020 93 HG1 THR 13 HG1 THR 13 -16.522 -7.132 -10.807 94 HG21 THR 13 HG21 THR 13 -16.917 -6.492 -13.577 95 HG22 THR 13 HG22 THR 13 -18.617 -6.032 -13.842 96 HG23 THR 13 HG23 THR 13 -17.541 -4.965 -12.908 97 H PHE 14 H PHE 14 -19.351 -4.127 -12.826 98 HA PHE 14 HA PHE 14 -18.190 -2.206 -11.331 99 HB2 PHE 14 HB2 PHE 14 -19.995 -2.479 -13.649 100 HB3 PHE 14 HB3 PHE 14 -20.359 -0.997 -12.786 101 HD1 PHE 14 HD1 PHE 14 -17.349 -2.861 -13.993 102 HD2 PHE 14 HD2 PHE 14 -19.243 0.899 -13.456 103 HE1 PHE 14 HE1 PHE 14 -15.419 -1.726 -15.127 104 HE2 PHE 14 HE2 PHE 14 -17.313 2.033 -14.590 105 HZ PHE 14 HZ PHE 14 -15.423 0.707 -15.412 106 H GLY 15 H GLY 15 -21.800 -2.514 -11.713 107 HA2 GLY 15 HA2 GLY 15 -22.482 -0.643 -9.779 108 HA3 GLY 15 HA3 GLY 15 -23.484 -1.970 -10.330 109 H SER 16 H SER 16 -22.559 -4.271 -9.447 110 HA SER 16 HA SER 16 -23.208 -4.502 -6.908 111 HB2 SER 16 HB2 SER 16 -21.532 -6.051 -8.770 112 HB3 SER 16 HB3 SER 16 -21.094 -6.339 -7.098 113 HG SER 16 HG SER 16 -22.737 -7.810 -7.651 114 H ILE 17 H ILE 17 -19.712 -4.324 -7.936 115 HA ILE 17 HA ILE 17 -18.594 -4.087 -5.473 116 HB ILE 17 HB ILE 17 -17.859 -3.566 -8.215 117 HG12 ILE 17 HG12 ILE 17 -15.566 -4.214 -7.084 118 HG13 ILE 17 HG13 ILE 17 -16.580 -4.621 -5.714 119 HG21 ILE 17 HG21 ILE 17 -17.590 -1.253 -7.522 120 HG22 ILE 17 HG22 ILE 17 -16.604 -1.760 -6.129 121 HG23 ILE 17 HG23 ILE 17 -16.001 -2.012 -7.785 122 HD11 ILE 17 HD11 ILE 17 -16.961 -6.614 -6.728 123 HD12 ILE 17 HD12 ILE 17 -17.953 -5.726 -7.909 124 HD13 ILE 17 HD13 ILE 17 -16.236 -6.046 -8.251 125 H PHE 18 H PHE 18 -20.022 -1.473 -7.516 126 HA PHE 18 HA PHE 18 -19.318 0.687 -6.008 127 HB2 PHE 18 HB2 PHE 18 -20.874 0.139 -8.206 128 HB3 PHE 18 HB3 PHE 18 -22.156 0.403 -7.040 129 HD1 PHE 18 HD1 PHE 18 -18.974 2.041 -8.124 130 HD2 PHE 18 HD2 PHE 18 -22.999 2.537 -6.875 131 HE1 PHE 18 HE1 PHE 18 -18.775 4.520 -8.467 132 HE2 PHE 18 HE2 PHE 18 -22.800 5.016 -7.218 133 HZ PHE 18 HZ PHE 18 -20.690 5.977 -8.010 134 H GLY 19 H GLY 19 -22.092 -1.580 -5.527 135 HA2 GLY 19 HA2 GLY 19 -23.079 -0.118 -3.249 136 HA3 GLY 19 HA3 GLY 19 -23.654 -1.651 -3.875 137 H TYR 20 H TYR 20 -20.640 -2.568 -3.871 138 HA TYR 20 HA TYR 20 -19.430 -3.882 -2.550 139 HB2 TYR 20 HB2 TYR 20 -19.213 -1.342 -1.694 140 HB3 TYR 20 HB3 TYR 20 -20.129 -1.910 -0.312 141 HD1 TYR 20 HD1 TYR 20 -19.085 -4.405 0.488 142 HD2 TYR 20 HD2 TYR 20 -16.956 -1.122 -1.243 143 HE1 TYR 20 HE1 TYR 20 -16.934 -5.219 1.572 144 HE2 TYR 20 HE2 TYR 20 -14.813 -1.948 -0.153 145 HH TYR 20 HH TYR 20 -14.855 -4.758 2.006 146 H LYS 21 H LYS 21 -20.474 -5.822 -2.215 147 HA LYS 21 HA LYS 21 -21.897 -6.038 0.311 148 HB2 LYS 21 HB2 LYS 21 -23.664 -5.606 -1.322 149 HB3 LYS 21 HB3 LYS 21 -23.081 -6.905 -2.342 150 HG2 LYS 21 HG2 LYS 21 -23.365 -8.125 0.179 151 HG3 LYS 21 HG3 LYS 21 -24.739 -7.041 0.091 152 HD2 LYS 21 HD2 LYS 21 -24.047 -8.849 -2.252 153 HD3 LYS 21 HD3 LYS 21 -24.975 -9.463 -0.898 154 HE2 LYS 21 HE2 LYS 21 -25.787 -6.903 -2.331 155 HE3 LYS 21 HE3 LYS 21 -26.286 -8.474 -2.927 156 HZ1 LYS 21 HZ1 LYS 21 -27.586 -7.096 -1.071 157 HZ2 LYS 21 HZ2 LYS 21 -27.705 -8.715 -1.249 158 HZ3 LYS 21 HZ3 LYS 21 -26.702 -8.088 -0.122 159 H ARG 22 H ARG 22 -19.527 -6.855 0.528 160 HA ARG 22 HA ARG 22 -18.309 -8.582 1.017 161 HB2 ARG 22 HB2 ARG 22 -20.709 -9.738 1.252 162 HB3 ARG 22 HB3 ARG 22 -20.229 -10.587 -0.204 163 HG2 ARG 22 HG2 ARG 22 -18.095 -11.294 0.970 164 HG3 ARG 22 HG3 ARG 22 -18.689 -10.538 2.435 165 HD2 ARG 22 HD2 ARG 22 -20.858 -12.104 1.776 166 HD3 ARG 22 HD3 ARG 22 -19.556 -13.083 1.129 167 HE ARG 22 HE ARG 22 -18.752 -13.464 3.316 168 HH11 ARG 22 HH22 ARG 22 -21.242 -10.978 3.352 169 HH12 ARG 22 HH21 ARG 22 -21.396 -10.977 5.077 170 HH21 ARG 22 HH12 ARG 22 -18.954 -13.462 5.592 171 HH22 ARG 22 HH11 ARG 22 -20.085 -12.399 6.360 172 H ARG 23 H ARG 23 -16.638 -8.132 -0.476 173 HA ARG 23 HA ARG 23 -17.012 -8.981 -3.187 174 HB2 ARG 23 HB2 ARG 23 -15.770 -6.816 -2.262 175 HB3 ARG 23 HB3 ARG 23 -14.405 -7.898 -2.067 176 HG2 ARG 23 HG2 ARG 23 -15.404 -8.467 -4.658 177 HG3 ARG 23 HG3 ARG 23 -15.500 -6.723 -4.521 178 HD2 ARG 23 HD2 ARG 23 -12.986 -7.359 -3.397 179 HD3 ARG 23 HD3 ARG 23 -13.123 -8.437 -4.771 180 HE ARG 23 HE ARG 23 -12.861 -5.528 -4.861 181 HH11 ARG 23 HH22 ARG 23 -14.028 -8.349 -6.611 182 HH12 ARG 23 HH21 ARG 23 -13.924 -7.587 -8.164 183 HH21 ARG 23 HH12 ARG 23 -12.723 -4.523 -6.908 184 HH22 ARG 23 HH11 ARG 23 -13.177 -5.396 -8.334 185 H GLY 24 H GLY 24 -14.487 -9.461 -0.595 186 HA2 GLY 24 HA2 GLY 24 -14.355 -12.293 -1.190 187 HA3 GLY 24 HA3 GLY 24 -12.934 -11.379 -1.657 188 H GLY 25 H GLY 25 -11.498 -10.574 -0.080 189 HA2 GLY 25 HA2 GLY 25 -12.226 -10.558 2.705 190 HA3 GLY 25 HA3 GLY 25 -11.172 -11.890 2.274 191 H VAL 26 H VAL 26 -9.133 -11.366 2.963 192 HA VAL 26 HA VAL 26 -8.103 -8.767 2.068 193 HB VAL 26 HB VAL 26 -6.808 -8.672 4.169 194 HG11 VAL 26 HG11 VAL 26 -9.002 -7.489 3.848 195 HG12 VAL 26 HG12 VAL 26 -9.791 -8.839 4.698 196 HG13 VAL 26 HG13 VAL 26 -8.590 -7.835 5.545 197 HG21 VAL 26 HG21 VAL 26 -6.611 -10.808 5.032 198 HG22 VAL 26 HG22 VAL 26 -7.886 -10.130 6.073 199 HG23 VAL 26 HG23 VAL 26 -8.318 -11.209 4.725 200 HA PRO 27 HA PRO 27 -5.442 -11.934 0.417 201 HB2 PRO 27 HB2 PRO 27 -4.866 -10.659 -1.931 202 HB3 PRO 27 HB3 PRO 27 -6.206 -11.773 -1.749 203 HG2 PRO 27 HG2 PRO 27 -6.258 -8.822 -1.913 204 HG3 PRO 27 HG3 PRO 27 -7.570 -9.958 -2.157 205 HD2 PRO 27 HD2 PRO 27 -7.116 -8.335 0.164 206 HD3 PRO 27 HD3 PRO 27 -8.358 -9.555 -0.035 207 H SER 28 H SER 28 -4.660 -8.539 -0.217 208 HA SER 28 HA SER 28 -2.612 -8.472 1.608 209 HB2 SER 28 HB2 SER 28 -0.663 -8.422 -0.121 210 HB3 SER 28 HB3 SER 28 -1.250 -9.981 0.423 211 HG SER 28 HG SER 28 -1.396 -10.346 -1.698 212 H LEU 29 H LEU 29 -2.973 -7.512 -1.893 213 HA LEU 29 HA LEU 29 -2.041 -4.993 -1.771 214 HB2 LEU 29 HB2 LEU 29 -3.511 -6.550 -3.555 215 HB3 LEU 29 HB3 LEU 29 -4.487 -5.111 -3.335 216 HG LEU 29 HG LEU 29 -1.546 -4.958 -4.011 217 HD11 LEU 29 HD11 LEU 29 -3.801 -5.733 -5.740 218 HD12 LEU 29 HD12 LEU 29 -2.797 -4.405 -6.371 219 HD13 LEU 29 HD13 LEU 29 -2.048 -5.965 -5.951 220 HD21 LEU 29 HD21 LEU 29 -1.832 -2.761 -3.925 221 HD22 LEU 29 HD22 LEU 29 -3.191 -2.850 -5.070 222 HD23 LEU 29 HD23 LEU 29 -3.486 -3.028 -3.324 223 H ILE 30 H ILE 30 -5.418 -6.036 -0.961 224 HA ILE 30 HA ILE 30 -6.453 -3.570 -0.381 225 HB ILE 30 HB ILE 30 -6.997 -6.364 0.467 226 HG12 ILE 30 HG12 ILE 30 -9.345 -5.365 -0.343 227 HG13 ILE 30 HG13 ILE 30 -8.296 -4.212 -1.144 228 HG21 ILE 30 HG21 ILE 30 -8.955 -5.485 1.838 229 HG22 ILE 30 HG22 ILE 30 -7.341 -5.392 2.584 230 HG23 ILE 30 HG23 ILE 30 -8.085 -3.932 1.889 231 HD11 ILE 30 HD11 ILE 30 -8.960 -6.526 -2.312 232 HD12 ILE 30 HD12 ILE 30 -7.343 -5.817 -2.537 233 HD13 ILE 30 HD13 ILE 30 -7.582 -7.131 -1.360 234 H ALA 31 H ALA 31 -4.643 -5.815 1.816 235 HA ALA 31 HA ALA 31 -4.795 -4.247 4.087 236 HB1 ALA 31 HB1 ALA 31 -2.369 -5.484 4.324 237 HB2 ALA 31 HB2 ALA 31 -3.931 -6.287 4.610 238 HB3 ALA 31 HB3 ALA 31 -3.117 -6.460 3.037 239 H GLY 32 H GLY 32 -2.694 -4.031 1.201 240 HA2 GLY 32 HA2 GLY 32 -0.856 -2.164 2.315 241 HA3 GLY 32 HA3 GLY 32 -1.083 -2.561 0.624 242 H LEU 33 H LEU 33 -4.050 -1.957 0.731 243 HA LEU 33 HA LEU 33 -3.812 0.812 0.119 244 HB2 LEU 33 HB2 LEU 33 -5.788 -1.336 -0.161 245 HB3 LEU 33 HB3 LEU 33 -6.497 0.234 0.156 246 HG LEU 33 HG LEU 33 -4.704 0.876 -1.802 247 HD11 LEU 33 HD11 LEU 33 -5.747 -1.877 -2.520 248 HD12 LEU 33 HD12 LEU 33 -4.792 -0.789 -3.557 249 HD13 LEU 33 HD13 LEU 33 -4.063 -1.490 -2.092 250 HD21 LEU 33 HD21 LEU 33 -6.603 1.047 -3.279 251 HD22 LEU 33 HD22 LEU 33 -7.534 -0.094 -2.280 252 HD23 LEU 33 HD23 LEU 33 -7.096 1.505 -1.631 253 H PHE 34 H PHE 34 -5.280 -1.143 2.774 254 HA PHE 34 HA PHE 34 -6.432 1.036 4.096 255 HB2 PHE 34 HB2 PHE 34 -6.574 -1.644 4.295 256 HB3 PHE 34 HB3 PHE 34 -5.259 -1.447 5.437 257 HD1 PHE 34 HD2 PHE 34 -8.592 0.116 4.764 258 HD2 PHE 34 HD1 PHE 34 -5.852 -1.350 7.654 259 HE1 PHE 34 HE2 PHE 34 -10.247 0.612 6.584 260 HE2 PHE 34 HE1 PHE 34 -7.507 -0.854 9.474 261 HZ PHE 34 HZ PHE 34 -9.685 0.121 8.918 262 H VAL 35 H VAL 35 -3.218 -0.593 4.409 263 HA VAL 35 HA VAL 35 -2.381 0.858 6.645 264 HB VAL 35 HB VAL 35 -1.014 -0.658 4.440 265 HG11 VAL 35 HG11 VAL 35 0.470 1.229 5.102 266 HG12 VAL 35 HG12 VAL 35 0.403 0.652 6.784 267 HG13 VAL 35 HG13 VAL 35 1.134 -0.368 5.522 268 HG21 VAL 35 HG21 VAL 35 -1.953 -1.185 7.185 269 HG22 VAL 35 HG22 VAL 35 -1.688 -2.302 5.825 270 HG23 VAL 35 HG23 VAL 35 -0.316 -1.791 6.838 271 H GLY 36 H GLY 36 -1.596 1.329 3.123 272 HA2 GLY 36 HA2 GLY 36 -0.145 3.643 3.313 273 HA3 GLY 36 HA3 GLY 36 -1.171 3.208 1.960 274 H CYS 37 H CYS 37 -3.744 3.241 3.235 275 HA CYS 37 HA CYS 37 -4.346 5.938 3.026 276 HB2 CYS 37 HB2 CYS 37 -5.818 3.688 2.964 277 HB3 CYS 37 HB3 CYS 37 -6.173 4.184 4.607 278 HG CYS 37 HG CYS 37 -6.133 6.377 2.159 279 H LEU 38 H LEU 38 -4.465 3.796 5.978 280 HA LEU 38 HA LEU 38 -4.894 5.632 7.882 281 HB2 LEU 38 HB2 LEU 38 -4.793 3.347 8.432 282 HB3 LEU 38 HB3 LEU 38 -3.141 3.189 7.869 283 HG LEU 38 HG LEU 38 -2.846 5.062 9.847 284 HD11 LEU 38 HD11 LEU 38 -4.984 3.136 10.800 285 HD12 LEU 38 HD12 LEU 38 -4.102 4.315 11.800 286 HD13 LEU 38 HD13 LEU 38 -5.196 4.880 10.515 287 HD21 LEU 38 HD21 LEU 38 -2.736 2.067 10.278 288 HD22 LEU 38 HD22 LEU 38 -1.504 3.006 9.400 289 HD23 LEU 38 HD23 LEU 38 -1.804 3.324 11.126 290 H ALA 39 H ALA 39 -1.745 4.942 6.264 291 HA ALA 39 HA ALA 39 -0.182 6.611 7.837 292 HB1 ALA 39 HB1 ALA 39 1.391 6.501 5.965 293 HB2 ALA 39 HB2 ALA 39 0.635 4.908 6.214 294 HB3 ALA 39 HB3 ALA 39 0.094 5.951 4.877 295 H GLY 40 H GLY 40 -1.142 7.392 4.428 296 HA2 GLY 40 HA2 GLY 40 -0.689 10.087 4.532 297 HA3 GLY 40 HA3 GLY 40 -1.871 9.308 3.499 298 H TYR 41 H TYR 41 -4.048 8.715 4.610 299 HA TYR 41 HA TYR 41 -5.432 10.861 5.340 300 HB2 TYR 41 HB2 TYR 41 -5.813 8.139 5.196 301 HB3 TYR 41 HB3 TYR 41 -5.828 8.307 6.940 302 HD1 TYR 41 HD1 TYR 41 -7.550 9.833 8.016 303 HD2 TYR 41 HD2 TYR 41 -7.706 8.737 3.884 304 HE1 TYR 41 HE1 TYR 41 -9.999 10.508 7.923 305 HE2 TYR 41 HE2 TYR 41 -10.155 9.416 3.804 306 HH TYR 41 HH TYR 41 -11.853 10.385 6.739 307 H GLY 42 H GLY 42 -4.080 8.576 7.833 308 HA2 GLY 42 HA2 GLY 42 -4.688 9.979 10.088 309 HA3 GLY 42 HA3 GLY 42 -3.261 8.979 9.894 310 H ALA 43 H ALA 43 -1.697 10.336 8.047 311 HA ALA 43 HA ALA 43 -0.424 12.227 9.567 312 HB1 ALA 43 HB1 ALA 43 0.432 10.988 7.540 313 HB2 ALA 43 HB2 ALA 43 -0.501 12.115 6.528 314 HB3 ALA 43 HB3 ALA 43 0.818 12.725 7.555 315 H TYR 44 H TYR 44 -3.087 12.605 7.179 316 HA TYR 44 HA TYR 44 -3.013 15.449 7.258 317 HB2 TYR 44 HB2 TYR 44 -3.942 13.740 5.486 318 HB3 TYR 44 HB3 TYR 44 -5.298 13.506 6.570 319 HD1 TYR 44 HD1 TYR 44 -3.463 16.581 5.426 320 HD2 TYR 44 HD2 TYR 44 -7.195 14.504 5.685 321 HE1 TYR 44 HE1 TYR 44 -4.652 18.570 4.378 322 HE2 TYR 44 HE2 TYR 44 -8.370 16.499 4.636 323 HH TYR 44 HH TYR 44 -8.007 18.897 4.433 324 H ARG 45 H ARG 45 -4.577 12.882 9.156 325 HA ARG 45 HA ARG 45 -6.551 14.551 10.235 326 HB2 ARG 45 HB2 ARG 45 -5.460 11.805 10.778 327 HB3 ARG 45 HB3 ARG 45 -6.310 12.567 12.107 328 HG2 ARG 45 HG2 ARG 45 -7.678 12.806 9.469 329 HG3 ARG 45 HG3 ARG 45 -7.532 11.164 10.064 330 HD2 ARG 45 HD2 ARG 45 -8.323 12.840 12.283 331 HD3 ARG 45 HD3 ARG 45 -9.368 13.216 10.928 332 HE ARG 45 HE ARG 45 -9.031 10.344 11.249 333 HH11 ARG 45 HH22 ARG 45 -10.791 13.136 12.470 334 HH12 ARG 45 HH21 ARG 45 -12.135 12.201 13.036 335 HH21 ARG 45 HH12 ARG 45 -10.804 9.111 11.995 336 HH22 ARG 45 HH11 ARG 45 -12.142 9.896 12.764 337 H VAL 46 H VAL 46 -3.345 13.323 11.418 338 HA VAL 46 HA VAL 46 -3.527 14.902 13.811 339 HB VAL 46 HB VAL 46 -1.377 13.953 14.323 340 HG11 VAL 46 HG11 VAL 46 -3.716 12.426 13.728 341 HG12 VAL 46 HG12 VAL 46 -2.293 11.445 13.303 342 HG13 VAL 46 HG13 VAL 46 -2.459 12.108 14.947 343 HG21 VAL 46 HG21 VAL 46 -0.264 12.389 12.692 344 HG22 VAL 46 HG22 VAL 46 -1.373 13.003 11.442 345 HG23 VAL 46 HG23 VAL 46 -0.219 14.107 12.229 346 H SER 47 H SER 47 -1.532 14.900 10.779 347 HA SER 47 HA SER 47 -0.140 16.417 10.004 348 HB2 SER 47 HB2 SER 47 -2.820 17.350 9.956 349 HB3 SER 47 HB3 SER 47 -1.857 18.750 10.386 350 HG SER 47 HG SER 47 -1.164 17.028 8.171 351 H ASN 48 H ASN 48 1.411 16.307 11.819 352 HA ASN 48 HA ASN 48 1.321 18.766 13.382 353 HB2 ASN 48 HB2 ASN 48 1.527 15.971 14.265 354 HB3 ASN 48 HB3 ASN 48 2.933 16.877 14.786 355 HD21 ASN 48 HD21 ASN 48 2.705 17.517 16.780 356 HD22 ASN 48 HD22 ASN 48 1.293 18.199 17.514 357 H ASP 49 H ASP 49 3.340 16.041 12.070 358 HA ASP 49 HA ASP 49 5.719 17.577 12.298 359 HB2 ASP 49 HB2 ASP 49 6.646 15.589 10.908 360 HB3 ASP 49 HB3 ASP 49 6.052 15.243 12.520 361 H LYS 50 H LYS 50 3.756 16.125 9.584 362 HA LYS 50 HA LYS 50 3.837 18.398 7.989 363 HB2 LYS 50 HB2 LYS 50 6.341 17.371 8.018 364 HB3 LYS 50 HB3 LYS 50 5.663 16.442 6.696 365 HG2 LYS 50 HG2 LYS 50 4.789 19.176 6.386 366 HG3 LYS 50 HG3 LYS 50 6.514 19.200 6.693 367 HD2 LYS 50 HD2 LYS 50 7.004 17.845 4.793 368 HD3 LYS 50 HD3 LYS 50 5.361 17.247 4.676 369 HE2 LYS 50 HE2 LYS 50 4.712 19.000 3.372 370 HE3 LYS 50 HE3 LYS 50 5.422 20.174 4.463 371 HZ1 LYS 50 HZ1 LYS 50 7.073 18.571 2.652 372 HZ2 LYS 50 HZ2 LYS 50 6.414 19.991 2.187 373 HZ3 LYS 50 HZ3 LYS 50 7.476 19.951 3.426 374 H ARG 51 H ARG 51 3.576 17.390 5.447 375 HA ARG 51 HA ARG 51 2.077 14.980 5.555 376 HB2 ARG 51 HB2 ARG 51 0.101 16.424 4.359 377 HB3 ARG 51 HB3 ARG 51 0.116 16.087 6.079 378 HG2 ARG 51 HG2 ARG 51 1.335 18.264 6.464 379 HG3 ARG 51 HG3 ARG 51 1.225 18.604 4.748 380 HD2 ARG 51 HD2 ARG 51 -1.363 17.888 6.066 381 HD3 ARG 51 HD3 ARG 51 -0.653 19.400 6.596 382 HE ARG 51 HE ARG 51 -0.942 20.306 4.420 383 HH11 ARG 51 HH22 ARG 51 -1.780 16.889 4.482 384 HH12 ARG 51 HH21 ARG 51 -2.556 16.920 2.934 385 HH21 ARG 51 HH12 ARG 51 -1.965 20.348 2.377 386 HH22 ARG 51 HH11 ARG 51 -2.662 18.900 1.728 387 H ASP 52 H ASP 52 3.035 14.023 3.775 388 HA ASP 52 HA ASP 52 2.631 15.240 1.252 389 HB2 ASP 52 HB2 ASP 52 5.057 15.852 2.554 390 HB3 ASP 52 HB3 ASP 52 5.488 14.542 1.472 391 H VAL 53 H VAL 53 3.925 13.684 -0.473 392 HA VAL 53 HA VAL 53 2.940 11.115 -0.087 393 HB VAL 53 HB VAL 53 3.304 12.073 -2.261 394 HG11 VAL 53 HG11 VAL 53 6.218 12.154 -1.444 395 HG12 VAL 53 HG12 VAL 53 5.693 12.245 -3.142 396 HG13 VAL 53 HG13 VAL 53 5.179 13.495 -1.984 397 HG21 VAL 53 HG21 VAL 53 3.763 9.496 -1.634 398 HG22 VAL 53 HG22 VAL 53 3.851 10.123 -3.298 399 HG23 VAL 53 HG23 VAL 53 5.341 9.904 -2.349 400 H LYS 54 H LYS 54 5.870 12.680 1.031 401 HA LYS 54 HA LYS 54 7.709 10.739 1.198 402 HB2 LYS 54 HB2 LYS 54 7.094 13.169 2.599 403 HB3 LYS 54 HB3 LYS 54 7.640 11.977 3.762 404 HG2 LYS 54 HG2 LYS 54 9.127 12.482 1.150 405 HG3 LYS 54 HG3 LYS 54 9.461 13.406 2.601 406 HD2 LYS 54 HD2 LYS 54 10.603 11.685 3.579 407 HD3 LYS 54 HD3 LYS 54 9.392 10.502 3.125 408 HE2 LYS 54 HE2 LYS 54 11.344 9.851 1.915 409 HE3 LYS 54 HE3 LYS 54 10.338 10.650 0.723 410 HZ1 LYS 54 HZ1 LYS 54 11.791 12.651 1.820 411 HZ2 LYS 54 HZ2 LYS 54 12.865 11.425 1.723 412 HZ3 LYS 54 HZ3 LYS 54 12.083 11.934 0.382 413 H VAL 55 H VAL 55 4.765 11.060 3.256 414 HA VAL 55 HA VAL 55 5.211 9.174 5.127 415 HB VAL 55 HB VAL 55 2.793 8.832 5.152 416 HG11 VAL 55 HG11 VAL 55 2.738 11.692 4.564 417 HG12 VAL 55 HG12 VAL 55 2.523 10.838 6.110 418 HG13 VAL 55 HG13 VAL 55 4.159 11.228 5.529 419 HG21 VAL 55 HG21 VAL 55 2.898 10.193 2.450 420 HG22 VAL 55 HG22 VAL 55 2.202 8.609 2.866 421 HG23 VAL 55 HG23 VAL 55 1.413 10.102 3.427 422 H SER 56 H SER 56 3.899 8.556 1.794 423 HA SER 56 HA SER 56 3.630 5.880 1.986 424 HB2 SER 56 HB2 SER 56 3.069 7.437 0.026 425 HB3 SER 56 HB3 SER 56 4.743 7.293 -0.472 426 HG SER 56 HG SER 56 3.973 4.784 -0.091 427 H LEU 57 H LEU 57 6.609 7.776 1.196 428 HA LEU 57 HA LEU 57 8.257 5.621 0.622 429 HB2 LEU 57 HB2 LEU 57 8.478 8.456 1.073 430 HB3 LEU 57 HB3 LEU 57 9.803 7.624 1.863 431 HG LEU 57 HG LEU 57 10.448 8.313 -0.364 432 HD11 LEU 57 HD11 LEU 57 10.255 5.455 -0.967 433 HD12 LEU 57 HD12 LEU 57 11.683 6.482 -0.693 434 HD13 LEU 57 HD13 LEU 57 10.802 5.794 0.692 435 HD21 LEU 57 HD21 LEU 57 8.221 8.387 -1.387 436 HD22 LEU 57 HD22 LEU 57 9.372 7.462 -2.380 437 HD23 LEU 57 HD23 LEU 57 8.162 6.608 -1.392 438 H PHE 58 H PHE 58 7.278 7.114 3.735 439 HA PHE 58 HA PHE 58 9.110 5.538 5.244 440 HB2 PHE 58 HB2 PHE 58 8.297 7.720 6.050 441 HB3 PHE 58 HB3 PHE 58 6.627 7.258 5.789 442 HD1 PHE 58 HD1 PHE 58 5.607 5.500 7.286 443 HD2 PHE 58 HD2 PHE 58 9.375 7.273 8.103 444 HE1 PHE 58 HE1 PHE 58 5.442 4.749 9.676 445 HE2 PHE 58 HE2 PHE 58 9.210 6.522 10.493 446 HZ PHE 58 HZ PHE 58 7.246 5.269 11.250 447 H THR 59 H THR 59 5.973 5.018 3.805 448 HA THR 59 HA THR 59 5.128 3.033 5.704 449 HB THR 59 HB THR 59 4.157 3.980 2.962 450 HG1 THR 59 HG1 THR 59 3.318 4.146 5.772 451 HG21 THR 59 HG21 THR 59 3.020 1.911 4.904 452 HG22 THR 59 HG22 THR 59 1.994 2.799 3.752 453 HG23 THR 59 HG23 THR 59 3.283 1.727 3.153 454 H ALA 60 H ALA 60 6.738 3.081 2.494 455 HA ALA 60 HA ALA 60 6.683 0.225 2.310 456 HB1 ALA 60 HB1 ALA 60 6.632 1.456 0.268 457 HB2 ALA 60 HB2 ALA 60 8.016 2.465 0.753 458 HB3 ALA 60 HB3 ALA 60 8.262 0.746 0.359 459 H PHE 61 H PHE 61 8.990 2.784 3.337 460 HA PHE 61 HA PHE 61 11.209 1.088 3.569 461 HB2 PHE 61 HB2 PHE 61 10.950 3.700 3.555 462 HB3 PHE 61 HB3 PHE 61 10.481 3.562 5.238 463 HD1 PHE 61 HD1 PHE 61 12.201 2.134 6.710 464 HD2 PHE 61 HD2 PHE 61 13.163 4.146 3.100 465 HE1 PHE 61 HE1 PHE 61 14.617 2.197 7.389 466 HE2 PHE 61 HE2 PHE 61 15.579 4.210 3.779 467 HZ PHE 61 HZ PHE 61 16.277 3.235 5.915 468 H PHE 62 H PHE 62 8.748 2.232 5.976 469 HA PHE 62 HA PHE 62 9.917 0.860 8.132 470 HB2 PHE 62 HB2 PHE 62 8.245 2.817 8.128 471 HB3 PHE 62 HB3 PHE 62 7.010 1.704 7.575 472 HD1 PHE 62 HD2 PHE 62 6.094 0.011 9.082 473 HD2 PHE 62 HD1 PHE 62 9.017 2.780 10.423 474 HE1 PHE 62 HE2 PHE 62 5.547 -0.565 11.463 475 HE2 PHE 62 HE1 PHE 62 8.471 2.203 12.804 476 HZ PHE 62 HZ PHE 62 6.742 0.537 13.295 477 H LEU 63 H LEU 63 7.127 0.091 5.943 478 HA LEU 63 HA LEU 63 6.327 -2.239 7.144 479 HB2 LEU 63 HB2 LEU 63 5.143 -1.047 5.359 480 HB3 LEU 63 HB3 LEU 63 6.362 -1.546 4.203 481 HG LEU 63 HG LEU 63 5.068 -3.753 5.696 482 HD11 LEU 63 HD11 LEU 63 3.086 -2.491 5.475 483 HD12 LEU 63 HD12 LEU 63 3.510 -1.960 3.830 484 HD13 LEU 63 HD13 LEU 63 3.070 -3.658 4.131 485 HD21 LEU 63 HD21 LEU 63 6.562 -4.417 4.023 486 HD22 LEU 63 HD22 LEU 63 4.954 -4.636 3.291 487 HD23 LEU 63 HD23 LEU 63 5.943 -3.220 2.861 488 H ALA 64 H ALA 64 8.702 -1.890 4.411 489 HA ALA 64 HA ALA 64 9.415 -4.537 4.253 490 HB1 ALA 64 HB1 ALA 64 11.150 -3.776 2.900 491 HB2 ALA 64 HB2 ALA 64 10.038 -2.386 2.852 492 HB3 ALA 64 HB3 ALA 64 11.462 -2.351 3.920 493 H THR 65 H THR 65 10.859 -1.907 6.294 494 HA THR 65 HA THR 65 12.832 -3.458 7.480 495 HB THR 65 HB THR 65 11.248 -0.983 8.298 496 HG1 THR 65 HG1 THR 65 13.961 -1.711 7.443 497 HG21 THR 65 HG21 THR 65 13.313 -2.558 9.835 498 HG22 THR 65 HG22 THR 65 13.494 -0.788 9.791 499 HG23 THR 65 HG23 THR 65 12.008 -1.515 10.448 500 H ILE 66 H ILE 66 9.340 -3.343 8.057 501 HA ILE 66 HA ILE 66 9.561 -4.712 10.566 502 HB ILE 66 HB ILE 66 7.251 -3.965 8.780 503 HG12 ILE 66 HG12 ILE 66 8.603 -2.222 10.121 504 HG13 ILE 66 HG13 ILE 66 6.854 -2.199 10.230 505 HG21 ILE 66 HG21 ILE 66 5.857 -4.602 10.822 506 HG22 ILE 66 HG22 ILE 66 6.479 -5.928 9.811 507 HG23 ILE 66 HG23 ILE 66 7.274 -5.538 11.356 508 HD11 ILE 66 HD11 ILE 66 6.839 -2.866 12.433 509 HD12 ILE 66 HD12 ILE 66 8.234 -3.952 12.220 510 HD13 ILE 66 HD13 ILE 66 8.490 -2.200 12.411 511 H MET 67 H MET 67 9.266 -5.523 7.130 512 HA MET 67 HA MET 67 8.332 -8.130 7.531 513 HB2 MET 67 HB2 MET 67 9.876 -6.758 5.267 514 HB3 MET 67 HB3 MET 67 9.287 -8.403 5.130 515 HG2 MET 67 HG2 MET 67 7.304 -6.313 6.009 516 HG3 MET 67 HG3 MET 67 7.819 -6.266 4.335 517 HE1 MET 67 HE1 MET 67 5.503 -8.248 2.737 518 HE2 MET 67 HE2 MET 67 4.663 -7.268 3.963 519 HE3 MET 67 HE3 MET 67 6.133 -6.642 3.178 520 H GLY 68 H GLY 68 11.578 -6.631 7.459 521 HA2 GLY 68 HA2 GLY 68 13.099 -7.997 8.961 522 HA3 GLY 68 HA3 GLY 68 12.790 -9.298 7.829 523 H VAL 69 H VAL 69 13.439 -9.019 5.530 524 HA VAL 69 HA VAL 69 15.374 -6.867 5.124 525 HB VAL 69 HB VAL 69 16.646 -8.765 5.931 526 HG11 VAL 69 HG11 VAL 69 14.755 -10.360 4.795 527 HG12 VAL 69 HG12 VAL 69 16.073 -10.507 3.607 528 HG13 VAL 69 HG13 VAL 69 16.362 -10.922 5.314 529 HG21 VAL 69 HG21 VAL 69 17.021 -7.458 3.431 530 HG22 VAL 69 HG22 VAL 69 18.253 -8.140 4.520 531 HG23 VAL 69 HG23 VAL 69 17.543 -9.148 3.235 532 H ARG 70 H ARG 70 15.265 -5.984 3.088 533 HA ARG 70 HA ARG 70 13.180 -7.049 1.436 534 HB2 ARG 70 HB2 ARG 70 13.339 -4.591 1.878 535 HB3 ARG 70 HB3 ARG 70 14.921 -4.549 1.125 536 HG2 ARG 70 HG2 ARG 70 13.656 -5.629 -0.950 537 HG3 ARG 70 HG3 ARG 70 12.220 -4.993 -0.173 538 HD2 ARG 70 HD2 ARG 70 12.751 -2.817 -0.684 539 HD3 ARG 70 HD3 ARG 70 14.445 -3.033 -0.291 540 HE ARG 70 HE ARG 70 13.234 -3.286 -2.927 541 HH11 ARG 70 HH22 ARG 70 15.900 -4.399 -0.918 542 HH12 ARG 70 HH21 ARG 70 16.920 -4.785 -2.264 543 HH21 ARG 70 HH12 ARG 70 14.579 -3.795 -4.702 544 HH22 ARG 70 HH11 ARG 70 16.164 -4.439 -4.430 545 H PHE 71 H PHE 71 14.075 -8.954 0.482 546 HA PHE 71 HA PHE 71 16.644 -8.753 -0.818 547 HB2 PHE 71 HB2 PHE 71 15.194 -10.731 0.480 548 HB3 PHE 71 HB3 PHE 71 14.749 -11.078 -1.179 549 HD1 PHE 71 HD2 PHE 71 16.953 -10.952 -2.817 550 HD2 PHE 71 HD1 PHE 71 16.929 -11.991 1.297 551 HE1 PHE 71 HE2 PHE 71 19.093 -12.226 -3.126 552 HE2 PHE 71 HE1 PHE 71 19.069 -13.265 0.988 553 HZ PHE 71 HZ PHE 71 20.126 -13.367 -1.220 554 H LYS 72 H LYS 72 13.212 -9.508 -1.760 555 HA LYS 72 HA LYS 72 12.156 -9.362 -3.693 556 HB2 LYS 72 HB2 LYS 72 13.457 -6.923 -3.321 557 HB3 LYS 72 HB3 LYS 72 13.818 -7.337 -4.985 558 HG2 LYS 72 HG2 LYS 72 11.368 -7.759 -5.389 559 HG3 LYS 72 HG3 LYS 72 11.029 -7.281 -3.738 560 HD2 LYS 72 HD2 LYS 72 11.354 -5.036 -4.168 561 HD3 LYS 72 HD3 LYS 72 12.666 -5.328 -5.292 562 HE2 LYS 72 HE2 LYS 72 10.340 -6.430 -6.524 563 HE3 LYS 72 HE3 LYS 72 9.835 -4.891 -5.855 564 HZ1 LYS 72 HZ1 LYS 72 10.986 -5.051 -8.163 565 HZ2 LYS 72 HZ2 LYS 72 11.256 -3.770 -7.186 566 HZ3 LYS 72 HZ3 LYS 72 12.357 -4.972 -7.279 567 H ARG 73 H ARG 73 13.220 -11.601 -3.906 568 HA ARG 73 HA ARG 73 14.776 -11.531 -6.361 569 HB2 ARG 73 HB2 ARG 73 15.950 -12.271 -4.072 570 HB3 ARG 73 HB3 ARG 73 15.120 -13.786 -4.366 571 HG2 ARG 73 HG2 ARG 73 16.248 -13.120 -6.870 572 HG3 ARG 73 HG3 ARG 73 17.483 -12.669 -5.711 573 HD2 ARG 73 HD2 ARG 73 17.306 -14.956 -4.664 574 HD3 ARG 73 HD3 ARG 73 16.118 -15.401 -5.873 575 HE ARG 73 HE ARG 73 18.330 -14.441 -7.321 576 HH11 ARG 73 HH22 ARG 73 17.703 -17.042 -5.035 577 HH12 ARG 73 HH21 ARG 73 18.925 -18.082 -5.687 578 HH21 ARG 73 HH12 ARG 73 19.942 -15.813 -8.182 579 HH22 ARG 73 HH11 ARG 73 20.207 -17.378 -7.490 580 H SER 74 H SER 74 12.928 -13.762 -4.145 581 HA SER 74 HA SER 74 12.220 -15.507 -6.189 582 HB2 SER 74 HB2 SER 74 11.584 -15.107 -3.334 583 HB3 SER 74 HB3 SER 74 10.239 -15.780 -4.234 584 HG SER 74 HG SER 74 11.509 -17.546 -4.873 585 H LYS 75 H LYS 75 10.533 -15.485 -7.670 586 HA LYS 75 HA LYS 75 8.948 -13.074 -7.762 587 HB2 LYS 75 HB2 LYS 75 8.291 -13.855 -9.965 588 HB3 LYS 75 HB3 LYS 75 10.033 -13.926 -9.789 589 HG2 LYS 75 HG2 LYS 75 8.804 -16.434 -8.901 590 HG3 LYS 75 HG3 LYS 75 8.304 -16.048 -10.535 591 HD2 LYS 75 HD2 LYS 75 11.168 -15.530 -10.179 592 HD3 LYS 75 HD3 LYS 75 10.777 -17.179 -9.733 593 HE2 LYS 75 HE2 LYS 75 9.449 -17.296 -11.970 594 HE3 LYS 75 HE3 LYS 75 10.258 -15.803 -12.400 595 HZ1 LYS 75 HZ1 LYS 75 11.274 -18.397 -12.460 596 HZ2 LYS 75 HZ2 LYS 75 11.978 -17.019 -12.981 597 HZ3 LYS 75 HZ3 LYS 75 12.189 -17.511 -11.438 598 H LYS 76 H LYS 76 8.110 -13.968 -5.491 599 HA LYS 76 HA LYS 76 6.009 -15.927 -5.858 600 HB2 LYS 76 HB2 LYS 76 7.334 -14.602 -3.516 601 HB3 LYS 76 HB3 LYS 76 5.737 -15.291 -3.308 602 HG2 LYS 76 HG2 LYS 76 6.708 -17.430 -4.448 603 HG3 LYS 76 HG3 LYS 76 8.283 -16.714 -4.172 604 HD2 LYS 76 HD2 LYS 76 7.988 -16.716 -1.781 605 HD3 LYS 76 HD3 LYS 76 6.265 -17.010 -1.913 606 HE2 LYS 76 HE2 LYS 76 7.627 -19.139 -3.310 607 HE3 LYS 76 HE3 LYS 76 8.401 -18.946 -1.750 608 HZ1 LYS 76 HZ1 LYS 76 6.014 -18.884 -0.889 609 HZ2 LYS 76 HZ2 LYS 76 5.610 -19.564 -2.318 610 HZ3 LYS 76 HZ3 LYS 76 6.647 -20.328 -1.314 611 H ILE 77 H ILE 77 3.846 -15.277 -4.597 612 HA ILE 77 HA ILE 77 3.088 -12.668 -5.709 613 HB ILE 77 HB ILE 77 1.504 -15.202 -5.303 614 HG12 ILE 77 HG12 ILE 77 1.191 -14.378 -7.908 615 HG13 ILE 77 HG13 ILE 77 2.852 -13.922 -7.588 616 HG21 ILE 77 HG21 ILE 77 -0.015 -13.273 -6.714 617 HG22 ILE 77 HG22 ILE 77 -0.350 -14.002 -5.125 618 HG23 ILE 77 HG23 ILE 77 0.583 -12.490 -5.232 619 HD11 ILE 77 HD11 ILE 77 1.833 -16.667 -6.787 620 HD12 ILE 77 HD12 ILE 77 2.386 -16.341 -8.447 621 HD13 ILE 77 HD13 ILE 77 3.509 -16.146 -7.080 622 H MET 78 H MET 78 3.654 -11.378 -3.923 623 HA MET 78 HA MET 78 1.793 -10.882 -2.088 624 HB2 MET 78 HB2 MET 78 3.209 -13.344 -1.410 625 HB3 MET 78 HB3 MET 78 3.574 -12.137 -0.193 626 HG2 MET 78 HG2 MET 78 1.333 -11.945 0.498 627 HG3 MET 78 HG3 MET 78 0.695 -12.445 -1.056 628 HE1 MET 78 HE1 MET 78 -0.641 -15.573 -0.098 629 HE2 MET 78 HE2 MET 78 -0.653 -14.029 -0.984 630 HE3 MET 78 HE3 MET 78 0.315 -15.395 -1.589 631 HA PRO 79 HA PRO 79 6.006 -9.156 -0.751 632 HB2 PRO 79 HB2 PRO 79 8.301 -10.108 -1.889 633 HB3 PRO 79 HB3 PRO 79 7.683 -10.682 -0.353 634 HG2 PRO 79 HG2 PRO 79 7.616 -12.014 -2.991 635 HG3 PRO 79 HG3 PRO 79 7.402 -12.717 -1.401 636 HD2 PRO 79 HD2 PRO 79 5.342 -12.128 -3.308 637 HD3 PRO 79 HD3 PRO 79 5.119 -12.723 -1.675 638 H ALA 80 H ALA 80 6.643 -10.164 -4.085 639 HA ALA 80 HA ALA 80 7.540 -7.637 -4.869 640 HB1 ALA 80 HB1 ALA 80 7.303 -8.541 -7.136 641 HB2 ALA 80 HB2 ALA 80 7.979 -9.781 -6.053 642 HB3 ALA 80 HB3 ALA 80 6.265 -9.852 -6.526 643 H GLY 81 H GLY 81 4.320 -9.264 -5.330 644 HA2 GLY 81 HA2 GLY 81 2.916 -7.402 -6.658 645 HA3 GLY 81 HA3 GLY 81 2.248 -8.345 -5.340 646 H LEU 82 H LEU 82 3.470 -7.379 -3.060 647 HA LEU 82 HA LEU 82 2.039 -5.131 -2.466 648 HB2 LEU 82 HB2 LEU 82 3.745 -6.872 -1.159 649 HB3 LEU 82 HB3 LEU 82 4.557 -5.328 -1.000 650 HG LEU 82 HG LEU 82 3.128 -5.789 0.920 651 HD11 LEU 82 HD11 LEU 82 2.448 -3.470 -0.865 652 HD12 LEU 82 HD12 LEU 82 1.615 -3.684 0.693 653 HD13 LEU 82 HD13 LEU 82 3.385 -3.507 0.649 654 HD21 LEU 82 HD21 LEU 82 1.156 -6.781 0.731 655 HD22 LEU 82 HD22 LEU 82 0.520 -5.384 -0.171 656 HD23 LEU 82 HD23 LEU 82 1.298 -6.727 -1.043 657 H VAL 83 H VAL 83 5.500 -5.352 -3.521 658 HA VAL 83 HA VAL 83 6.018 -2.629 -3.412 659 HB VAL 83 HB VAL 83 7.138 -4.814 -5.174 660 HG11 VAL 83 HG11 VAL 83 8.306 -3.252 -6.256 661 HG12 VAL 83 HG12 VAL 83 7.589 -1.970 -5.251 662 HG13 VAL 83 HG13 VAL 83 9.072 -2.796 -4.715 663 HG21 VAL 83 HG21 VAL 83 7.675 -5.491 -3.037 664 HG22 VAL 83 HG22 VAL 83 9.067 -4.447 -3.409 665 HG23 VAL 83 HG23 VAL 83 7.734 -3.829 -2.404 666 H ALA 84 H ALA 84 4.394 -4.656 -5.870 667 HA ALA 84 HA ALA 84 4.411 -2.692 -7.897 668 HB1 ALA 84 HB1 ALA 84 2.158 -4.533 -8.008 669 HB2 ALA 84 HB2 ALA 84 3.583 -4.424 -9.070 670 HB3 ALA 84 HB3 ALA 84 3.658 -5.389 -7.577 671 H GLY 85 H GLY 85 2.417 -3.320 -5.029 672 HA2 GLY 85 HA2 GLY 85 0.176 -1.760 -5.834 673 HA3 GLY 85 HA3 GLY 85 0.572 -2.307 -4.217 674 H LEU 86 H LEU 86 2.938 -1.152 -3.537 675 HA LEU 86 HA LEU 86 2.229 1.459 -2.946 676 HB2 LEU 86 HB2 LEU 86 4.975 0.200 -2.999 677 HB3 LEU 86 HB3 LEU 86 4.545 1.689 -2.181 678 HG LEU 86 HG LEU 86 3.075 -0.833 -1.485 679 HD11 LEU 86 HD11 LEU 86 4.750 -1.820 -0.360 680 HD12 LEU 86 HD12 LEU 86 5.792 -0.902 -1.473 681 HD13 LEU 86 HD13 LEU 86 5.460 -0.272 0.159 682 HD21 LEU 86 HD21 LEU 86 3.203 1.858 -0.508 683 HD22 LEU 86 HD22 LEU 86 2.155 0.517 0.012 684 HD23 LEU 86 HD23 LEU 86 3.750 0.745 0.768 685 H SER 87 H SER 87 4.201 0.084 -5.622 686 HA SER 87 HA SER 87 5.151 2.486 -6.576 687 HB2 SER 87 HB2 SER 87 5.821 0.097 -7.238 688 HB3 SER 87 HB3 SER 87 4.414 0.072 -8.282 689 HG SER 87 HG SER 87 6.828 1.570 -8.523 690 H LEU 88 H LEU 88 2.291 0.527 -7.703 691 HA LEU 88 HA LEU 88 1.346 2.219 -9.607 692 HB2 LEU 88 HB2 LEU 88 0.495 -0.076 -8.297 693 HB3 LEU 88 HB3 LEU 88 -0.782 1.080 -7.976 694 HG LEU 88 HG LEU 88 -1.258 -0.263 -9.957 695 HD11 LEU 88 HD11 LEU 88 -0.848 2.219 -11.400 696 HD12 LEU 88 HD12 LEU 88 -2.355 1.454 -10.843 697 HD13 LEU 88 HD13 LEU 88 -1.438 2.516 -9.747 698 HD21 LEU 88 HD21 LEU 88 0.326 0.601 -12.006 699 HD22 LEU 88 HD22 LEU 88 1.498 0.487 -10.671 700 HD23 LEU 88 HD23 LEU 88 0.531 -0.935 -11.130 701 H MET 89 H MET 89 0.863 2.399 -6.037 702 HA MET 89 HA MET 89 -0.954 4.454 -6.053 703 HB2 MET 89 HB2 MET 89 0.411 2.932 -4.161 704 HB3 MET 89 HB3 MET 89 1.127 4.510 -3.900 705 HG2 MET 89 HG2 MET 89 -0.823 4.304 -2.442 706 HG3 MET 89 HG3 MET 89 -1.186 5.495 -3.675 707 HE1 MET 89 HE1 MET 89 -1.412 1.852 -2.588 708 HE2 MET 89 HE2 MET 89 -2.782 2.679 -1.809 709 HE3 MET 89 HE3 MET 89 -3.081 1.416 -3.027 710 H MET 90 H MET 90 2.666 4.621 -5.742 711 HA MET 90 HA MET 90 2.897 7.311 -5.519 712 HB2 MET 90 HB2 MET 90 4.599 5.133 -5.814 713 HB3 MET 90 HB3 MET 90 4.882 5.974 -7.325 714 HG2 MET 90 HG2 MET 90 4.989 8.101 -5.608 715 HG3 MET 90 HG3 MET 90 5.525 6.833 -4.525 716 HE1 MET 90 HE1 MET 90 7.488 9.452 -6.695 717 HE2 MET 90 HE2 MET 90 7.369 8.553 -8.227 718 HE3 MET 90 HE3 MET 90 5.893 8.972 -7.324 719 H ILE 91 H ILE 91 3.014 5.383 -8.605 720 HA ILE 91 HA ILE 91 3.315 7.453 -10.353 721 HB ILE 91 HB ILE 91 1.795 4.862 -10.609 722 HG12 ILE 91 HG12 ILE 91 4.240 5.053 -12.119 723 HG13 ILE 91 HG13 ILE 91 4.560 5.484 -10.450 724 HG21 ILE 91 HG21 ILE 91 1.101 5.394 -12.647 725 HG22 ILE 91 HG22 ILE 91 1.622 7.069 -12.342 726 HG23 ILE 91 HG23 ILE 91 2.734 5.919 -13.123 727 HD11 ILE 91 HD11 ILE 91 2.959 3.323 -10.029 728 HD12 ILE 91 HD12 ILE 91 3.662 2.874 -11.602 729 HD13 ILE 91 HD13 ILE 91 4.725 3.199 -10.212 730 H LEU 92 H LEU 92 0.130 5.980 -9.387 731 HA LEU 92 HA LEU 92 -1.462 7.829 -10.631 732 HB2 LEU 92 HB2 LEU 92 -1.783 5.633 -8.981 733 HB3 LEU 92 HB3 LEU 92 -2.489 6.937 -8.047 734 HG LEU 92 HG LEU 92 -3.255 6.424 -10.925 735 HD11 LEU 92 HD11 LEU 92 -4.065 4.967 -8.468 736 HD12 LEU 92 HD12 LEU 92 -5.363 5.423 -9.598 737 HD13 LEU 92 HD13 LEU 92 -4.000 4.428 -10.164 738 HD21 LEU 92 HD21 LEU 92 -3.858 8.488 -9.092 739 HD22 LEU 92 HD22 LEU 92 -4.559 8.203 -10.703 740 HD23 LEU 92 HD23 LEU 92 -5.332 7.503 -9.260 741 H ARG 93 H ARG 93 0.464 8.119 -7.672 742 HA ARG 93 HA ARG 93 -0.896 10.303 -6.627 743 HB2 ARG 93 HB2 ARG 93 1.111 8.694 -5.732 744 HB3 ARG 93 HB3 ARG 93 2.080 10.071 -6.221 745 HG2 ARG 93 HG2 ARG 93 1.555 10.582 -3.977 746 HG3 ARG 93 HG3 ARG 93 0.368 11.514 -4.868 747 HD2 ARG 93 HD2 ARG 93 -0.953 10.445 -3.225 748 HD3 ARG 93 HD3 ARG 93 -1.179 9.410 -4.620 749 HE ARG 93 HE ARG 93 1.099 8.457 -3.189 750 HH11 ARG 93 HH22 ARG 93 -2.387 8.721 -2.791 751 HH12 ARG 93 HH21 ARG 93 -2.500 7.345 -1.744 752 HH21 ARG 93 HH12 ARG 93 0.951 6.642 -1.809 753 HH22 ARG 93 HH11 ARG 93 -0.588 6.155 -1.182 754 H LEU 94 H LEU 94 1.908 9.967 -8.881 755 HA LEU 94 HA LEU 94 2.712 12.585 -9.001 756 HB2 LEU 94 HB2 LEU 94 2.812 10.232 -10.808 757 HB3 LEU 94 HB3 LEU 94 3.144 11.795 -11.527 758 HG LEU 94 HG LEU 94 4.590 10.796 -9.065 759 HD11 LEU 94 HD11 LEU 94 5.303 10.401 -11.980 760 HD12 LEU 94 HD12 LEU 94 6.462 10.230 -10.640 761 HD13 LEU 94 HD13 LEU 94 5.046 9.156 -10.734 762 HD21 LEU 94 HD21 LEU 94 4.829 13.133 -9.248 763 HD22 LEU 94 HD22 LEU 94 6.324 12.446 -9.927 764 HD23 LEU 94 HD23 LEU 94 5.053 13.058 -11.012 765 H VAL 95 H VAL 95 -0.163 11.007 -10.384 766 HA VAL 95 HA VAL 95 -0.791 13.349 -11.959 767 HB VAL 95 HB VAL 95 -2.256 10.750 -11.462 768 HG11 VAL 95 HG11 VAL 95 -3.605 12.875 -12.139 769 HG12 VAL 95 HG12 VAL 95 -2.842 12.644 -13.731 770 HG13 VAL 95 HG13 VAL 95 -3.860 11.359 -13.037 771 HG21 VAL 95 HG21 VAL 95 -1.558 10.332 -13.878 772 HG22 VAL 95 HG22 VAL 95 -0.431 11.696 -13.685 773 HG23 VAL 95 HG23 VAL 95 -0.268 10.254 -12.655 774 H LEU 96 H LEU 96 -1.946 11.619 -9.007 775 HA LEU 96 HA LEU 96 -4.182 13.068 -8.463 776 HB2 LEU 96 HB2 LEU 96 -2.723 11.142 -7.217 777 HB3 LEU 96 HB3 LEU 96 -2.443 12.502 -6.149 778 HG LEU 96 HG LEU 96 -4.328 11.098 -5.428 779 HD11 LEU 96 HD11 LEU 96 -6.045 12.965 -5.251 780 HD12 LEU 96 HD12 LEU 96 -4.409 13.320 -4.646 781 HD13 LEU 96 HD13 LEU 96 -4.928 13.948 -6.229 782 HD21 LEU 96 HD21 LEU 96 -6.318 11.955 -7.326 783 HD22 LEU 96 HD22 LEU 96 -5.003 11.093 -8.162 784 HD23 LEU 96 HD23 LEU 96 -5.867 10.310 -6.817 785 H LEU 97 H LEU 97 -0.743 13.969 -7.907 786 HA LEU 97 HA LEU 97 -0.954 16.134 -6.342 787 HB2 LEU 97 HB2 LEU 97 0.879 15.118 -8.280 788 HB3 LEU 97 HB3 LEU 97 0.762 16.853 -8.494 789 HG LEU 97 HG LEU 97 2.580 16.376 -7.008 790 HD11 LEU 97 HD11 LEU 97 0.209 17.829 -6.057 791 HD12 LEU 97 HD12 LEU 97 1.348 17.361 -4.771 792 HD13 LEU 97 HD13 LEU 97 1.914 18.334 -6.150 793 HD21 LEU 97 HD21 LEU 97 0.879 15.167 -4.882 794 HD22 LEU 97 HD22 LEU 97 1.334 14.142 -6.264 795 HD23 LEU 97 HD23 LEU 97 2.597 14.909 -5.271 796 H LEU 98 H LEU 98 -1.401 16.187 -9.950 797 HA LEU 98 HA LEU 98 -2.122 18.850 -10.107 798 HB2 LEU 98 HB2 LEU 98 -1.485 17.448 -11.999 799 HB3 LEU 98 HB3 LEU 98 -2.956 16.511 -11.828 800 HG LEU 98 HG LEU 98 -3.218 19.463 -12.231 801 HD11 LEU 98 HD11 LEU 98 -2.970 19.322 -14.613 802 HD12 LEU 98 HD12 LEU 98 -1.477 18.718 -13.853 803 HD13 LEU 98 HD13 LEU 98 -2.659 17.571 -14.529 804 HD21 LEU 98 HD21 LEU 98 -4.834 17.001 -12.715 805 HD22 LEU 98 HD22 LEU 98 -5.307 18.571 -12.023 806 HD23 LEU 98 HD23 LEU 98 -5.089 18.403 -13.782 807 H LEU 99 H LEU 99 -4.178 15.906 -9.643 808 HA LEU 99 HA LEU 99 -6.634 17.060 -9.719 809 HB2 LEU 99 HB2 LEU 99 -5.968 14.634 -9.425 810 HB3 LEU 99 HB3 LEU 99 -5.811 14.967 -7.711 811 HG LEU 99 HG LEU 99 -8.258 15.804 -7.848 812 HD11 LEU 99 HD11 LEU 99 -9.301 15.750 -9.801 813 HD12 LEU 99 HD12 LEU 99 -7.837 15.103 -10.579 814 HD13 LEU 99 HD13 LEU 99 -9.049 13.991 -9.897 815 HD21 LEU 99 HD21 LEU 99 -9.062 13.689 -7.231 816 HD22 LEU 99 HD22 LEU 99 -7.899 12.839 -8.277 817 HD23 LEU 99 HD23 LEU 99 -7.334 13.662 -6.803 Start of MODEL 7 1 H MET 1 H1 MET 1 -15.356 -17.167 -24.741 2 HA MET 1 HA MET 1 -16.958 -18.544 -24.191 3 HB2 MET 1 HB2 MET 1 -15.733 -18.142 -21.432 4 HB3 MET 1 HB3 MET 1 -17.239 -19.026 -21.574 5 HG2 MET 1 HG2 MET 1 -16.229 -20.705 -23.008 6 HG3 MET 1 HG3 MET 1 -14.785 -19.739 -23.240 7 HE1 MET 1 HE1 MET 1 -17.051 -21.591 -21.167 8 HE2 MET 1 HE2 MET 1 -15.896 -22.826 -20.612 9 HE3 MET 1 HE3 MET 1 -16.425 -21.540 -19.501 10 H ASP 2 H ASP 2 -19.195 -18.598 -23.094 11 HA ASP 2 HA ASP 2 -21.099 -17.554 -22.891 12 HB2 ASP 2 HB2 ASP 2 -19.377 -16.104 -20.845 13 HB3 ASP 2 HB3 ASP 2 -21.084 -15.737 -21.001 14 H LEU 3 H LEU 3 -21.155 -16.543 -25.042 15 HA LEU 3 HA LEU 3 -20.599 -13.660 -24.948 16 HB2 LEU 3 HB2 LEU 3 -19.257 -15.519 -26.489 17 HB3 LEU 3 HB3 LEU 3 -20.466 -14.895 -27.593 18 HG LEU 3 HG LEU 3 -18.541 -13.582 -27.926 19 HD11 LEU 3 HD11 LEU 3 -20.776 -12.292 -26.462 20 HD12 LEU 3 HD12 LEU 3 -19.295 -11.327 -26.671 21 HD13 LEU 3 HD13 LEU 3 -20.135 -11.988 -28.094 22 HD21 LEU 3 HD21 LEU 3 -17.154 -12.632 -26.270 23 HD22 LEU 3 HD22 LEU 3 -18.339 -12.947 -24.980 24 HD23 LEU 3 HD23 LEU 3 -17.470 -14.301 -25.740 25 H ILE 4 H ILE 4 -22.998 -14.342 -24.024 26 HA ILE 4 HA ILE 4 -24.761 -14.032 -26.355 27 HB ILE 4 HB ILE 4 -26.445 -15.261 -25.235 28 HG12 ILE 4 HG12 ILE 4 -25.898 -14.359 -22.941 29 HG13 ILE 4 HG13 ILE 4 -26.376 -16.044 -23.008 30 HG21 ILE 4 HG21 ILE 4 -24.868 -17.390 -24.577 31 HG22 ILE 4 HG22 ILE 4 -25.354 -16.948 -26.231 32 HG23 ILE 4 HG23 ILE 4 -23.770 -16.435 -25.601 33 HD11 ILE 4 HD11 ILE 4 -23.569 -16.084 -23.373 34 HD12 ILE 4 HD12 ILE 4 -23.862 -14.883 -22.092 35 HD13 ILE 4 HD13 ILE 4 -24.463 -16.548 -21.905 36 H GLY 5 H GLY 5 -23.979 -13.117 -22.972 37 HA2 GLY 5 HA2 GLY 5 -25.195 -10.513 -23.455 38 HA3 GLY 5 HA3 GLY 5 -25.908 -11.478 -22.178 39 H PHE 6 H PHE 6 -22.977 -9.768 -23.275 40 HA PHE 6 HA PHE 6 -21.613 -10.345 -20.791 41 HB2 PHE 6 HB2 PHE 6 -20.840 -9.935 -23.403 42 HB3 PHE 6 HB3 PHE 6 -20.719 -8.285 -22.825 43 HD1 PHE 6 HD2 PHE 6 -19.473 -8.161 -20.405 44 HD2 PHE 6 HD1 PHE 6 -18.897 -11.159 -23.353 45 HE1 PHE 6 HE2 PHE 6 -17.205 -8.661 -19.454 46 HE2 PHE 6 HE1 PHE 6 -16.629 -11.659 -22.402 47 HZ PHE 6 HZ PHE 6 -15.810 -10.404 -20.463 48 H GLY 7 H GLY 7 -22.788 -7.426 -22.616 49 HA2 GLY 7 HA2 GLY 7 -22.171 -5.388 -21.017 50 HA3 GLY 7 HA3 GLY 7 -23.739 -5.535 -21.785 51 H TYR 8 H TYR 8 -25.139 -7.436 -20.490 52 HA TYR 8 HA TYR 8 -26.033 -6.268 -18.203 53 HB2 TYR 8 HB2 TYR 8 -26.691 -8.390 -19.773 54 HB3 TYR 8 HB3 TYR 8 -25.866 -9.300 -18.524 55 HD1 TYR 8 HD2 TYR 8 -28.824 -7.272 -19.320 56 HD2 TYR 8 HD1 TYR 8 -26.808 -9.493 -16.270 57 HE1 TYR 8 HE2 TYR 8 -30.942 -7.278 -17.914 58 HE2 TYR 8 HE1 TYR 8 -28.933 -9.493 -14.875 59 HH TYR 8 HH TYR 8 -31.423 -9.327 -15.390 60 H ALA 9 H ALA 9 -23.605 -8.953 -18.474 61 HA ALA 9 HA ALA 9 -23.240 -9.328 -15.755 62 HB1 ALA 9 HB1 ALA 9 -21.794 -10.875 -16.524 63 HB2 ALA 9 HB2 ALA 9 -22.216 -10.325 -18.163 64 HB3 ALA 9 HB3 ALA 9 -20.797 -9.642 -17.333 65 H ALA 10 H ALA 10 -21.894 -6.903 -18.024 66 HA ALA 10 HA ALA 10 -19.951 -5.929 -16.207 67 HB1 ALA 10 HB1 ALA 10 -21.251 -4.519 -18.569 68 HB2 ALA 10 HB2 ALA 10 -19.660 -4.177 -17.848 69 HB3 ALA 10 HB3 ALA 10 -19.932 -5.705 -18.720 70 H LEU 11 H LEU 11 -23.416 -5.393 -16.746 71 HA LEU 11 HA LEU 11 -23.552 -2.919 -15.391 72 HB2 LEU 11 HB2 LEU 11 -25.192 -4.206 -17.024 73 HB3 LEU 11 HB3 LEU 11 -25.863 -4.801 -15.519 74 HG LEU 11 HG LEU 11 -26.150 -2.415 -14.776 75 HD11 LEU 11 HD11 LEU 11 -24.963 -1.936 -17.469 76 HD12 LEU 11 HD12 LEU 11 -26.258 -0.846 -16.918 77 HD13 LEU 11 HD13 LEU 11 -24.777 -1.029 -15.949 78 HD21 LEU 11 HD21 LEU 11 -28.075 -1.978 -16.411 79 HD22 LEU 11 HD22 LEU 11 -27.594 -3.505 -17.188 80 HD23 LEU 11 HD23 LEU 11 -28.102 -3.496 -15.482 81 H VAL 12 H VAL 12 -24.614 -6.244 -14.359 82 HA VAL 12 HA VAL 12 -25.108 -5.625 -11.741 83 HB VAL 12 HB VAL 12 -24.092 -8.146 -13.054 84 HG11 VAL 12 HG11 VAL 12 -23.862 -9.145 -11.074 85 HG12 VAL 12 HG12 VAL 12 -24.141 -7.579 -10.274 86 HG13 VAL 12 HG13 VAL 12 -25.512 -8.665 -10.607 87 HG21 VAL 12 HG21 VAL 12 -26.817 -7.055 -12.349 88 HG22 VAL 12 HG22 VAL 12 -26.220 -7.667 -13.910 89 HG23 VAL 12 HG23 VAL 12 -26.546 -8.800 -12.577 90 H THR 13 H THR 13 -21.992 -6.663 -13.268 91 HA THR 13 HA THR 13 -20.460 -6.786 -10.980 92 HB THR 13 HB THR 13 -19.829 -5.977 -13.863 93 HG1 THR 13 HG1 THR 13 -20.713 -8.172 -13.075 94 HG21 THR 13 HG21 THR 13 -17.714 -7.264 -12.236 95 HG22 THR 13 HG22 THR 13 -17.587 -5.897 -13.369 96 HG23 THR 13 HG23 THR 13 -18.098 -5.614 -11.688 97 H PHE 14 H PHE 14 -20.562 -3.930 -13.220 98 HA PHE 14 HA PHE 14 -19.186 -2.214 -11.637 99 HB2 PHE 14 HB2 PHE 14 -21.248 -2.163 -13.786 100 HB3 PHE 14 HB3 PHE 14 -21.307 -0.718 -12.796 101 HD1 PHE 14 HD2 PHE 14 -18.748 0.165 -12.255 102 HD2 PHE 14 HD1 PHE 14 -20.020 -1.943 -15.711 103 HE1 PHE 14 HE2 PHE 14 -16.828 1.131 -13.552 104 HE2 PHE 14 HE1 PHE 14 -18.100 -0.977 -17.008 105 HZ PHE 14 HZ PHE 14 -16.527 0.548 -15.912 106 H GLY 15 H GLY 15 -22.662 -3.117 -11.420 107 HA2 GLY 15 HA2 GLY 15 -23.530 -1.161 -9.652 108 HA3 GLY 15 HA3 GLY 15 -24.187 -2.778 -9.806 109 H SER 16 H SER 16 -22.885 -4.595 -8.681 110 HA SER 16 HA SER 16 -22.853 -4.260 -6.055 111 HB2 SER 16 HB2 SER 16 -20.745 -5.966 -7.436 112 HB3 SER 16 HB3 SER 16 -21.516 -6.269 -5.892 113 HG SER 16 HG SER 16 -22.402 -6.861 -8.470 114 H ILE 17 H ILE 17 -19.989 -3.807 -8.244 115 HA ILE 17 HA ILE 17 -18.091 -3.228 -6.377 116 HB ILE 17 HB ILE 17 -18.543 -2.158 -9.157 117 HG12 ILE 17 HG12 ILE 17 -16.742 -4.324 -8.035 118 HG13 ILE 17 HG13 ILE 17 -18.180 -4.563 -9.008 119 HG21 ILE 17 HG21 ILE 17 -15.798 -1.974 -8.378 120 HG22 ILE 17 HG22 ILE 17 -16.900 -0.689 -8.929 121 HG23 ILE 17 HG23 ILE 17 -16.790 -1.085 -7.197 122 HD11 ILE 17 HD11 ILE 17 -17.109 -4.033 -10.963 123 HD12 ILE 17 HD12 ILE 17 -16.186 -2.710 -10.211 124 HD13 ILE 17 HD13 ILE 17 -15.635 -4.393 -10.031 125 H PHE 18 H PHE 18 -20.435 -0.928 -7.919 126 HA PHE 18 HA PHE 18 -19.555 1.323 -6.560 127 HB2 PHE 18 HB2 PHE 18 -21.208 0.986 -8.558 128 HB3 PHE 18 HB3 PHE 18 -22.424 0.569 -7.367 129 HD1 PHE 18 HD1 PHE 18 -19.873 3.287 -7.710 130 HD2 PHE 18 HD2 PHE 18 -23.927 2.261 -6.990 131 HE1 PHE 18 HE1 PHE 18 -20.440 5.717 -7.440 132 HE2 PHE 18 HE2 PHE 18 -24.495 4.691 -6.720 133 HZ PHE 18 HZ PHE 18 -22.744 6.390 -6.948 134 H GLY 19 H GLY 19 -21.725 -1.337 -5.582 135 HA2 GLY 19 HA2 GLY 19 -22.771 0.033 -3.287 136 HA3 GLY 19 HA3 GLY 19 -22.950 -1.661 -3.702 137 H TYR 20 H TYR 20 -19.827 -1.718 -4.074 138 HA TYR 20 HA TYR 20 -18.615 -1.145 -1.648 139 HB2 TYR 20 HB2 TYR 20 -20.141 -2.806 -0.662 140 HB3 TYR 20 HB3 TYR 20 -19.946 -3.886 -2.028 141 HD1 TYR 20 HD1 TYR 20 -17.675 -2.205 0.459 142 HD2 TYR 20 HD2 TYR 20 -18.749 -5.811 -1.577 143 HE1 TYR 20 HE1 TYR 20 -15.850 -3.461 1.705 144 HE2 TYR 20 HE2 TYR 20 -16.920 -7.055 -0.324 145 HH TYR 20 HH TYR 20 -15.409 -6.952 1.218 146 H LYS 21 H LYS 21 -18.630 -4.284 -3.460 147 HA LYS 21 HA LYS 21 -16.506 -3.553 -5.154 148 HB2 LYS 21 HB2 LYS 21 -15.689 -4.160 -2.514 149 HB3 LYS 21 HB3 LYS 21 -15.282 -5.564 -3.481 150 HG2 LYS 21 HG2 LYS 21 -14.037 -4.185 -5.081 151 HG3 LYS 21 HG3 LYS 21 -14.585 -2.710 -4.311 152 HD2 LYS 21 HD2 LYS 21 -12.664 -2.808 -3.092 153 HD3 LYS 21 HD3 LYS 21 -13.446 -4.078 -2.172 154 HE2 LYS 21 HE2 LYS 21 -11.555 -5.250 -2.811 155 HE3 LYS 21 HE3 LYS 21 -12.553 -5.608 -4.207 156 HZ1 LYS 21 HZ1 LYS 21 -11.307 -3.158 -4.617 157 HZ2 LYS 21 HZ2 LYS 21 -10.164 -4.226 -4.147 158 HZ3 LYS 21 HZ3 LYS 21 -11.098 -4.550 -5.447 159 H ARG 22 H ARG 22 -17.078 -6.618 -3.313 160 HA ARG 22 HA ARG 22 -18.872 -7.745 -4.977 161 HB2 ARG 22 HB2 ARG 22 -16.461 -7.434 -6.410 162 HB3 ARG 22 HB3 ARG 22 -16.428 -9.114 -5.912 163 HG2 ARG 22 HG2 ARG 22 -19.094 -8.318 -6.881 164 HG3 ARG 22 HG3 ARG 22 -17.857 -8.043 -8.091 165 HD2 ARG 22 HD2 ARG 22 -17.564 -10.648 -6.702 166 HD3 ARG 22 HD3 ARG 22 -19.083 -10.494 -7.562 167 HE ARG 22 HE ARG 22 -17.155 -9.552 -9.360 168 HH11 ARG 22 HH22 ARG 22 -17.715 -12.554 -7.612 169 HH12 ARG 22 HH21 ARG 22 -16.963 -13.545 -8.816 170 HH21 ARG 22 HH12 ARG 22 -16.163 -10.860 -10.950 171 HH22 ARG 22 HH11 ARG 22 -16.074 -12.575 -10.728 172 H ARG 23 H ARG 23 -15.544 -8.698 -3.820 173 HA ARG 23 HA ARG 23 -16.448 -9.925 -1.541 174 HB2 ARG 23 HB2 ARG 23 -17.377 -11.511 -3.436 175 HB3 ARG 23 HB3 ARG 23 -15.715 -12.042 -3.600 176 HG2 ARG 23 HG2 ARG 23 -15.682 -12.577 -1.128 177 HG3 ARG 23 HG3 ARG 23 -17.375 -12.135 -1.037 178 HD2 ARG 23 HD2 ARG 23 -17.948 -13.914 -2.687 179 HD3 ARG 23 HD3 ARG 23 -16.255 -14.336 -2.840 180 HE ARG 23 HE ARG 23 -18.031 -15.140 -0.703 181 HH11 ARG 23 HH22 ARG 23 -14.682 -14.280 -1.358 182 HH12 ARG 23 HH21 ARG 23 -14.052 -15.201 -0.033 183 HH21 ARG 23 HH12 ARG 23 -17.201 -16.355 1.045 184 HH22 ARG 23 HH11 ARG 23 -15.495 -16.389 1.343 185 H GLY 24 H GLY 24 -14.618 -9.811 -0.275 186 HA2 GLY 24 HA2 GLY 24 -12.091 -10.809 -1.266 187 HA3 GLY 24 HA3 GLY 24 -12.142 -9.072 -1.044 188 H GLY 25 H GLY 25 -10.856 -11.544 0.440 189 HA2 GLY 25 HA2 GLY 25 -12.010 -11.374 3.082 190 HA3 GLY 25 HA3 GLY 25 -10.607 -12.294 2.578 191 H VAL 26 H VAL 26 -8.632 -11.588 3.269 192 HA VAL 26 HA VAL 26 -8.171 -8.746 3.519 193 HB VAL 26 HB VAL 26 -9.127 -9.176 5.656 194 HG11 VAL 26 HG11 VAL 26 -9.166 -11.284 6.407 195 HG12 VAL 26 HG12 VAL 26 -7.785 -11.753 5.386 196 HG13 VAL 26 HG13 VAL 26 -7.503 -11.013 6.980 197 HG21 VAL 26 HG21 VAL 26 -6.357 -9.353 6.612 198 HG22 VAL 26 HG22 VAL 26 -6.579 -8.174 5.297 199 HG23 VAL 26 HG23 VAL 26 -7.549 -8.043 6.784 200 HA PRO 27 HA PRO 27 -4.700 -11.340 2.120 201 HB2 PRO 27 HB2 PRO 27 -4.427 -10.325 -0.403 202 HB3 PRO 27 HB3 PRO 27 -5.333 -11.782 -0.049 203 HG2 PRO 27 HG2 PRO 27 -6.346 -9.084 -0.705 204 HG3 PRO 27 HG3 PRO 27 -7.190 -10.618 -0.768 205 HD2 PRO 27 HD2 PRO 27 -7.448 -8.599 1.253 206 HD3 PRO 27 HD3 PRO 27 -8.203 -10.181 1.250 207 H SER 28 H SER 28 -2.713 -10.227 0.527 208 HA SER 28 HA SER 28 -1.595 -8.535 2.468 209 HB2 SER 28 HB2 SER 28 0.268 -8.308 0.765 210 HB3 SER 28 HB3 SER 28 -0.130 -9.960 1.194 211 HG SER 28 HG SER 28 -0.704 -10.358 -0.831 212 H LEU 29 H LEU 29 -2.744 -8.032 -0.946 213 HA LEU 29 HA LEU 29 -2.185 -5.432 -1.312 214 HB2 LEU 29 HB2 LEU 29 -3.191 -6.776 -3.004 215 HB3 LEU 29 HB3 LEU 29 -4.653 -6.991 -2.063 216 HG LEU 29 HG LEU 29 -5.103 -4.539 -2.281 217 HD11 LEU 29 HD11 LEU 29 -3.872 -3.141 -3.718 218 HD12 LEU 29 HD12 LEU 29 -2.657 -3.982 -2.727 219 HD13 LEU 29 HD13 LEU 29 -2.954 -4.504 -4.402 220 HD21 LEU 29 HD21 LEU 29 -6.337 -4.935 -4.108 221 HD22 LEU 29 HD22 LEU 29 -4.923 -5.380 -5.094 222 HD23 LEU 29 HD23 LEU 29 -5.664 -6.580 -4.008 223 H ILE 30 H ILE 30 -5.152 -6.688 0.368 224 HA ILE 30 HA ILE 30 -6.279 -4.291 1.009 225 HB ILE 30 HB ILE 30 -6.286 -7.021 2.171 226 HG12 ILE 30 HG12 ILE 30 -8.618 -6.935 1.635 227 HG13 ILE 30 HG13 ILE 30 -8.575 -5.199 1.396 228 HG21 ILE 30 HG21 ILE 30 -8.035 -6.028 3.864 229 HG22 ILE 30 HG22 ILE 30 -6.300 -6.072 4.260 230 HG23 ILE 30 HG23 ILE 30 -7.045 -4.558 3.694 231 HD11 ILE 30 HD11 ILE 30 -8.537 -6.243 -0.793 232 HD12 ILE 30 HD12 ILE 30 -6.916 -5.568 -0.498 233 HD13 ILE 30 HD13 ILE 30 -7.199 -7.316 -0.315 234 H ALA 31 H ALA 31 -3.728 -6.102 2.834 235 HA ALA 31 HA ALA 31 -3.517 -4.386 4.974 236 HB1 ALA 31 HB1 ALA 31 -2.176 -6.634 3.922 237 HB2 ALA 31 HB2 ALA 31 -0.926 -5.381 4.109 238 HB3 ALA 31 HB3 ALA 31 -1.913 -5.868 5.507 239 H GLY 32 H GLY 32 -2.106 -4.174 1.669 240 HA2 GLY 32 HA2 GLY 32 -0.454 -1.934 2.199 241 HA3 GLY 32 HA3 GLY 32 -0.971 -2.528 0.634 242 H LEU 33 H LEU 33 -3.903 -2.366 1.380 243 HA LEU 33 HA LEU 33 -4.271 0.332 0.553 244 HB2 LEU 33 HB2 LEU 33 -5.829 -2.114 0.789 245 HB3 LEU 33 HB3 LEU 33 -6.740 -0.707 1.301 246 HG LEU 33 HG LEU 33 -7.135 -1.188 -1.046 247 HD11 LEU 33 HD11 LEU 33 -6.971 1.204 -0.107 248 HD12 LEU 33 HD12 LEU 33 -5.446 1.307 -1.019 249 HD13 LEU 33 HD13 LEU 33 -6.975 0.986 -1.873 250 HD21 LEU 33 HD21 LEU 33 -5.418 -2.211 -2.086 251 HD22 LEU 33 HD22 LEU 33 -4.961 -0.547 -2.525 252 HD23 LEU 33 HD23 LEU 33 -4.182 -1.348 -1.139 253 H PHE 34 H PHE 34 -4.865 -1.549 3.584 254 HA PHE 34 HA PHE 34 -6.052 0.513 5.004 255 HB2 PHE 34 HB2 PHE 34 -4.639 -2.090 5.444 256 HB3 PHE 34 HB3 PHE 34 -4.540 -1.018 6.826 257 HD1 PHE 34 HD2 PHE 34 -6.933 -2.698 4.551 258 HD2 PHE 34 HD1 PHE 34 -6.375 -0.748 8.278 259 HE1 PHE 34 HE2 PHE 34 -9.232 -3.408 5.267 260 HE2 PHE 34 HE1 PHE 34 -8.673 -1.458 8.994 261 HZ PHE 34 HZ PHE 34 -10.075 -2.779 7.480 262 H VAL 35 H VAL 35 -2.580 -0.580 5.023 263 HA VAL 35 HA VAL 35 -1.671 1.405 6.727 264 HB VAL 35 HB VAL 35 -0.454 -0.627 6.146 265 HG11 VAL 35 HG11 VAL 35 -1.119 -0.484 3.666 266 HG12 VAL 35 HG12 VAL 35 0.271 0.613 3.486 267 HG13 VAL 35 HG13 VAL 35 0.522 -1.057 4.047 268 HG21 VAL 35 HG21 VAL 35 0.796 1.252 7.074 269 HG22 VAL 35 HG22 VAL 35 1.794 0.369 5.893 270 HG23 VAL 35 HG23 VAL 35 1.045 1.920 5.443 271 H GLY 36 H GLY 36 -1.665 1.302 3.094 272 HA2 GLY 36 HA2 GLY 36 -0.569 3.775 2.603 273 HA3 GLY 36 HA3 GLY 36 -1.739 2.965 1.581 274 H CYS 37 H CYS 37 -3.887 2.915 3.659 275 HA CYS 37 HA CYS 37 -5.036 5.393 3.035 276 HB2 CYS 37 HB2 CYS 37 -6.111 3.065 3.668 277 HB3 CYS 37 HB3 CYS 37 -6.055 3.701 5.300 278 HG CYS 37 HG CYS 37 -7.018 6.162 4.284 279 H LEU 38 H LEU 38 -4.107 3.956 6.258 280 HA LEU 38 HA LEU 38 -4.420 6.090 7.845 281 HB2 LEU 38 HB2 LEU 38 -3.465 3.668 8.215 282 HB3 LEU 38 HB3 LEU 38 -1.915 4.480 8.119 283 HG LEU 38 HG LEU 38 -3.134 6.092 9.910 284 HD11 LEU 38 HD11 LEU 38 -4.622 5.028 11.338 285 HD12 LEU 38 HD12 LEU 38 -5.165 4.495 9.729 286 HD13 LEU 38 HD13 LEU 38 -4.194 3.405 10.747 287 HD21 LEU 38 HD21 LEU 38 -1.881 3.501 10.813 288 HD22 LEU 38 HD22 LEU 38 -0.940 4.782 10.013 289 HD23 LEU 38 HD23 LEU 38 -1.772 5.117 11.550 290 H ALA 39 H ALA 39 -1.626 5.481 5.642 291 HA ALA 39 HA ALA 39 -0.095 7.655 6.429 292 HB1 ALA 39 HB1 ALA 39 1.100 7.279 4.384 293 HB2 ALA 39 HB2 ALA 39 0.528 5.687 4.937 294 HB3 ALA 39 HB3 ALA 39 -0.318 6.528 3.616 295 H GLY 40 H GLY 40 -2.256 7.418 3.507 296 HA2 GLY 40 HA2 GLY 40 -2.187 10.076 2.787 297 HA3 GLY 40 HA3 GLY 40 -3.512 8.971 2.476 298 H TYR 41 H TYR 41 -4.989 8.520 4.506 299 HA TYR 41 HA TYR 41 -6.432 10.642 5.159 300 HB2 TYR 41 HB2 TYR 41 -5.998 7.965 6.038 301 HB3 TYR 41 HB3 TYR 41 -5.850 8.902 7.511 302 HD1 TYR 41 HD2 TYR 41 -8.139 8.145 4.676 303 HD2 TYR 41 HD1 TYR 41 -7.769 9.761 8.621 304 HE1 TYR 41 HE2 TYR 41 -10.672 8.224 4.889 305 HE2 TYR 41 HE1 TYR 41 -10.303 9.834 8.820 306 HH TYR 41 HH TYR 41 -12.244 8.387 7.632 307 H GLY 42 H GLY 42 -3.671 9.480 7.227 308 HA2 GLY 42 HA2 GLY 42 -3.734 11.415 9.164 309 HA3 GLY 42 HA3 GLY 42 -2.285 10.616 8.589 310 H ALA 43 H ALA 43 -1.847 11.512 6.050 311 HA ALA 43 HA ALA 43 -0.755 14.016 6.420 312 HB1 ALA 43 HB1 ALA 43 0.207 12.976 4.631 313 HB2 ALA 43 HB2 ALA 43 -1.304 12.165 4.156 314 HB3 ALA 43 HB3 ALA 43 -1.032 13.867 3.715 315 H TYR 44 H TYR 44 -4.030 13.019 5.467 316 HA TYR 44 HA TYR 44 -4.762 15.621 4.516 317 HB2 TYR 44 HB2 TYR 44 -5.646 13.095 4.107 318 HB3 TYR 44 HB3 TYR 44 -6.608 13.408 5.537 319 HD1 TYR 44 HD2 TYR 44 -5.734 15.669 2.676 320 HD2 TYR 44 HD1 TYR 44 -8.817 13.613 4.815 321 HE1 TYR 44 HE2 TYR 44 -7.498 16.811 1.245 322 HE2 TYR 44 HE1 TYR 44 -10.571 14.762 3.377 323 HH TYR 44 HH TYR 44 -10.615 15.756 1.046 324 H ARG 45 H ARG 45 -4.791 13.860 7.606 325 HA ARG 45 HA ARG 45 -6.697 15.512 8.815 326 HB2 ARG 45 HB2 ARG 45 -5.674 13.143 9.506 327 HB3 ARG 45 HB3 ARG 45 -4.511 14.115 10.385 328 HG2 ARG 45 HG2 ARG 45 -6.136 13.892 12.032 329 HG3 ARG 45 HG3 ARG 45 -6.697 15.370 11.277 330 HD2 ARG 45 HD2 ARG 45 -8.154 13.866 9.745 331 HD3 ARG 45 HD3 ARG 45 -7.757 12.546 10.828 332 HE ARG 45 HE ARG 45 -8.698 14.840 12.325 333 HH11 ARG 45 HH22 ARG 45 -9.811 12.171 10.319 334 HH12 ARG 45 HH21 ARG 45 -11.388 12.124 11.034 335 HH21 ARG 45 HH12 ARG 45 -10.779 14.777 13.268 336 HH22 ARG 45 HH11 ARG 45 -11.942 13.616 12.723 337 H VAL 46 H VAL 46 -3.169 15.652 8.329 338 HA VAL 46 HA VAL 46 -1.692 17.263 8.659 339 HB VAL 46 HB VAL 46 -4.013 19.051 9.397 340 HG11 VAL 46 HG11 VAL 46 -2.341 20.691 8.150 341 HG12 VAL 46 HG12 VAL 46 -2.161 20.322 9.882 342 HG13 VAL 46 HG13 VAL 46 -1.138 19.494 8.685 343 HG21 VAL 46 HG21 VAL 46 -2.872 18.517 6.634 344 HG22 VAL 46 HG22 VAL 46 -4.420 17.885 7.244 345 HG23 VAL 46 HG23 VAL 46 -4.191 19.639 7.045 346 H SER 47 H SER 47 -1.200 15.696 10.492 347 HA SER 47 HA SER 47 -1.411 17.202 12.972 348 HB2 SER 47 HB2 SER 47 -1.483 14.829 14.089 349 HB3 SER 47 HB3 SER 47 -2.961 15.514 13.445 350 HG SER 47 HG SER 47 -1.639 13.219 12.695 351 H ASN 48 H ASN 48 0.671 16.804 10.764 352 HA ASN 48 HA ASN 48 2.830 16.331 12.553 353 HB2 ASN 48 HB2 ASN 48 1.992 14.045 11.366 354 HB3 ASN 48 HB3 ASN 48 2.952 14.660 10.035 355 HD21 ASN 48 HD21 ASN 48 3.770 12.384 11.008 356 HD22 ASN 48 HD22 ASN 48 5.187 12.519 11.994 357 H ASP 49 H ASP 49 4.967 16.233 10.790 358 HA ASP 49 HA ASP 49 4.557 18.670 9.293 359 HB2 ASP 49 HB2 ASP 49 7.177 18.342 9.040 360 HB3 ASP 49 HB3 ASP 49 6.504 18.925 10.550 361 H LYS 50 H LYS 50 4.636 15.258 8.904 362 HA LYS 50 HA LYS 50 6.050 14.945 6.529 363 HB2 LYS 50 HB2 LYS 50 3.690 13.363 7.592 364 HB3 LYS 50 HB3 LYS 50 4.778 12.840 6.323 365 HG2 LYS 50 HG2 LYS 50 6.084 13.740 8.864 366 HG3 LYS 50 HG3 LYS 50 5.151 12.261 8.972 367 HD2 LYS 50 HD2 LYS 50 6.824 11.107 7.972 368 HD3 LYS 50 HD3 LYS 50 6.689 12.115 6.545 369 HE2 LYS 50 HE2 LYS 50 8.918 12.499 7.201 370 HE3 LYS 50 HE3 LYS 50 8.091 13.869 7.916 371 HZ1 LYS 50 HZ1 LYS 50 8.946 13.165 9.809 372 HZ2 LYS 50 HZ2 LYS 50 7.894 11.916 9.781 373 HZ3 LYS 50 HZ3 LYS 50 9.407 11.723 9.197 374 H ARG 51 H ARG 51 5.708 15.761 4.539 375 HA ARG 51 HA ARG 51 3.077 15.826 3.510 376 HB2 ARG 51 HB2 ARG 51 3.582 18.065 4.927 377 HB3 ARG 51 HB3 ARG 51 4.411 18.539 3.458 378 HG2 ARG 51 HG2 ARG 51 2.151 17.690 2.292 379 HG3 ARG 51 HG3 ARG 51 1.473 17.978 3.882 380 HD2 ARG 51 HD2 ARG 51 3.218 20.155 2.767 381 HD3 ARG 51 HD3 ARG 51 1.669 19.922 1.982 382 HE ARG 51 HE ARG 51 1.207 19.920 4.792 383 HH11 ARG 51 HH22 ARG 51 2.253 22.145 2.275 384 HH12 ARG 51 HH21 ARG 51 1.652 23.551 3.090 385 HH21 ARG 51 HH12 ARG 51 0.414 21.773 5.867 386 HH22 ARG 51 HH11 ARG 51 0.599 23.337 5.147 387 H ASP 52 H ASP 52 4.703 14.284 2.315 388 HA ASP 52 HA ASP 52 5.316 15.483 -0.121 389 HB2 ASP 52 HB2 ASP 52 7.284 16.291 1.265 390 HB3 ASP 52 HB3 ASP 52 7.727 14.619 1.544 391 H VAL 53 H VAL 53 3.771 13.267 0.778 392 HA VAL 53 HA VAL 53 3.502 11.058 0.673 393 HB VAL 53 HB VAL 53 5.186 11.483 -1.804 394 HG11 VAL 53 HG11 VAL 53 3.581 9.186 -0.793 395 HG12 VAL 53 HG12 VAL 53 3.431 9.579 -2.522 396 HG13 VAL 53 HG13 VAL 53 5.028 9.210 -1.829 397 HG21 VAL 53 HG21 VAL 53 2.795 12.722 -1.127 398 HG22 VAL 53 HG22 VAL 53 3.459 12.536 -2.768 399 HG23 VAL 53 HG23 VAL 53 2.284 11.353 -2.143 400 H LYS 54 H LYS 54 5.626 11.826 2.438 401 HA LYS 54 HA LYS 54 7.786 9.979 1.882 402 HB2 LYS 54 HB2 LYS 54 7.800 12.416 3.000 403 HB3 LYS 54 HB3 LYS 54 7.584 11.471 4.459 404 HG2 LYS 54 HG2 LYS 54 9.844 11.186 4.422 405 HG3 LYS 54 HG3 LYS 54 9.557 10.023 3.143 406 HD2 LYS 54 HD2 LYS 54 9.498 12.497 1.803 407 HD3 LYS 54 HD3 LYS 54 10.770 12.706 2.990 408 HE2 LYS 54 HE2 LYS 54 10.764 10.109 1.478 409 HE3 LYS 54 HE3 LYS 54 11.190 11.543 0.566 410 HZ1 LYS 54 HZ1 LYS 54 12.527 11.688 2.970 411 HZ2 LYS 54 HZ2 LYS 54 12.733 10.162 2.428 412 HZ3 LYS 54 HZ3 LYS 54 13.166 11.426 1.490 413 H VAL 55 H VAL 55 5.189 10.491 4.361 414 HA VAL 55 HA VAL 55 5.635 8.454 6.035 415 HB VAL 55 HB VAL 55 2.963 9.204 4.832 416 HG11 VAL 55 HG11 VAL 55 2.815 7.157 6.143 417 HG12 VAL 55 HG12 VAL 55 3.666 7.933 7.500 418 HG13 VAL 55 HG13 VAL 55 2.047 8.500 7.023 419 HG21 VAL 55 HG21 VAL 55 3.372 11.238 5.673 420 HG22 VAL 55 HG22 VAL 55 3.234 10.492 7.283 421 HG23 VAL 55 HG23 VAL 55 4.833 10.679 6.523 422 H SER 56 H SER 56 4.009 8.182 2.807 423 HA SER 56 HA SER 56 3.368 5.569 2.885 424 HB2 SER 56 HB2 SER 56 4.039 7.535 0.763 425 HB3 SER 56 HB3 SER 56 4.232 5.864 0.269 426 HG SER 56 HG SER 56 2.061 5.443 0.688 427 H LEU 57 H LEU 57 6.517 6.999 1.753 428 HA LEU 57 HA LEU 57 7.771 4.601 1.178 429 HB2 LEU 57 HB2 LEU 57 8.413 7.063 0.708 430 HB3 LEU 57 HB3 LEU 57 9.208 7.002 2.269 431 HG LEU 57 HG LEU 57 9.807 4.989 0.098 432 HD11 LEU 57 HD11 LEU 57 11.908 6.539 -0.187 433 HD12 LEU 57 HD12 LEU 57 10.400 6.875 -1.071 434 HD13 LEU 57 HD13 LEU 57 10.796 7.801 0.397 435 HD21 LEU 57 HD21 LEU 57 10.562 5.178 2.789 436 HD22 LEU 57 HD22 LEU 57 11.256 4.119 1.538 437 HD23 LEU 57 HD23 LEU 57 11.984 5.711 1.861 438 H PHE 58 H PHE 58 7.179 6.269 4.270 439 HA PHE 58 HA PHE 58 9.028 4.751 5.761 440 HB2 PHE 58 HB2 PHE 58 7.328 6.957 6.079 441 HB3 PHE 58 HB3 PHE 58 6.485 5.742 7.019 442 HD1 PHE 58 HD1 PHE 58 9.933 7.115 6.591 443 HD2 PHE 58 HD2 PHE 58 7.036 5.514 9.247 444 HE1 PHE 58 HE1 PHE 58 11.471 7.544 8.527 445 HE2 PHE 58 HE2 PHE 58 8.575 5.944 11.183 446 HZ PHE 58 HZ PHE 58 10.774 6.954 10.800 447 H THR 59 H THR 59 5.657 4.251 4.706 448 HA THR 59 HA THR 59 5.239 2.057 6.521 449 HB THR 59 HB THR 59 3.038 2.048 5.541 450 HG1 THR 59 HG1 THR 59 2.819 3.095 3.398 451 HG21 THR 59 HG21 THR 59 4.168 4.535 6.308 452 HG22 THR 59 HG22 THR 59 3.364 4.858 4.752 453 HG23 THR 59 HG23 THR 59 2.434 4.181 6.111 454 H ALA 60 H ALA 60 6.274 2.519 3.133 455 HA ALA 60 HA ALA 60 6.017 -0.205 2.433 456 HB1 ALA 60 HB1 ALA 60 6.651 0.560 0.394 457 HB2 ALA 60 HB2 ALA 60 6.479 2.174 1.124 458 HB3 ALA 60 HB3 ALA 60 8.079 1.397 1.048 459 H PHE 61 H PHE 61 8.610 1.814 3.881 460 HA PHE 61 HA PHE 61 10.596 -0.186 3.668 461 HB2 PHE 61 HB2 PHE 61 10.984 2.289 3.946 462 HB3 PHE 61 HB3 PHE 61 10.175 2.250 5.501 463 HD1 PHE 61 HD2 PHE 61 11.235 0.659 7.290 464 HD2 PHE 61 HD1 PHE 61 13.292 2.089 3.864 465 HE1 PHE 61 HE2 PHE 61 13.431 0.211 8.421 466 HE2 PHE 61 HE1 PHE 61 15.488 1.640 4.995 467 HZ PHE 61 HZ PHE 61 15.531 0.706 7.260 468 H PHE 62 H PHE 62 8.634 1.047 6.475 469 HA PHE 62 HA PHE 62 9.607 -0.802 8.301 470 HB2 PHE 62 HB2 PHE 62 8.018 1.398 8.352 471 HB3 PHE 62 HB3 PHE 62 6.732 0.209 8.279 472 HD1 PHE 62 HD2 PHE 62 7.567 -1.930 9.994 473 HD2 PHE 62 HD1 PHE 62 8.164 2.242 10.488 474 HE1 PHE 62 HE2 PHE 62 7.719 -2.246 12.480 475 HE2 PHE 62 HE1 PHE 62 8.316 1.926 12.974 476 HZ PHE 62 HZ PHE 62 8.092 -0.315 13.940 477 H LEU 63 H LEU 63 6.794 -0.932 6.042 478 HA LEU 63 HA LEU 63 5.698 -3.289 7.052 479 HB2 LEU 63 HB2 LEU 63 4.466 -1.789 5.639 480 HB3 LEU 63 HB3 LEU 63 5.596 -2.015 4.319 481 HG LEU 63 HG LEU 63 4.233 -4.457 5.348 482 HD11 LEU 63 HD11 LEU 63 2.219 -3.442 5.297 483 HD12 LEU 63 HD12 LEU 63 2.787 -2.114 4.256 484 HD13 LEU 63 HD13 LEU 63 2.381 -3.693 3.542 485 HD21 LEU 63 HD21 LEU 63 5.507 -3.493 2.869 486 HD22 LEU 63 HD22 LEU 63 5.420 -5.129 3.565 487 HD23 LEU 63 HD23 LEU 63 4.047 -4.484 2.634 488 H ALA 64 H ALA 64 7.923 -2.764 4.225 489 HA ALA 64 HA ALA 64 8.267 -5.355 3.486 490 HB1 ALA 64 HB1 ALA 64 9.761 -2.820 3.298 491 HB2 ALA 64 HB2 ALA 64 10.793 -4.266 3.191 492 HB3 ALA 64 HB3 ALA 64 9.440 -4.053 2.054 493 H THR 65 H THR 65 10.428 -3.561 5.804 494 HA THR 65 HA THR 65 11.877 -5.782 6.609 495 HB THR 65 HB THR 65 11.160 -3.119 7.924 496 HG1 THR 65 HG1 THR 65 12.566 -2.924 6.139 497 HG21 THR 65 HG21 THR 65 13.504 -3.792 9.091 498 HG22 THR 65 HG22 THR 65 11.946 -4.197 9.850 499 HG23 THR 65 HG23 THR 65 12.829 -5.430 8.917 500 H ILE 66 H ILE 66 8.616 -4.740 7.494 501 HA ILE 66 HA ILE 66 8.447 -6.231 9.872 502 HB ILE 66 HB ILE 66 6.771 -4.575 8.229 503 HG12 ILE 66 HG12 ILE 66 7.391 -4.016 10.494 504 HG13 ILE 66 HG13 ILE 66 5.649 -4.169 10.386 505 HG21 ILE 66 HG21 ILE 66 4.603 -5.658 8.719 506 HG22 ILE 66 HG22 ILE 66 5.601 -6.590 7.578 507 HG23 ILE 66 HG23 ILE 66 5.475 -7.106 9.277 508 HD11 ILE 66 HD11 ILE 66 7.574 -5.762 11.950 509 HD12 ILE 66 HD12 ILE 66 5.818 -5.568 12.171 510 HD13 ILE 66 HD13 ILE 66 6.442 -6.770 11.016 511 H MET 67 H MET 67 7.874 -6.984 6.407 512 HA MET 67 HA MET 67 7.016 -9.633 7.142 513 HB2 MET 67 HB2 MET 67 6.692 -9.858 4.644 514 HB3 MET 67 HB3 MET 67 5.857 -8.461 5.294 515 HG2 MET 67 HG2 MET 67 7.534 -6.936 4.468 516 HG3 MET 67 HG3 MET 67 8.677 -8.230 4.165 517 HE1 MET 67 HE1 MET 67 7.869 -6.275 1.324 518 HE2 MET 67 HE2 MET 67 9.133 -7.185 2.186 519 HE3 MET 67 HE3 MET 67 8.466 -7.815 0.661 520 H GLY 68 H GLY 68 9.871 -7.907 5.943 521 HA2 GLY 68 HA2 GLY 68 11.476 -10.290 6.302 522 HA3 GLY 68 HA3 GLY 68 11.365 -9.729 4.646 523 H VAL 69 H VAL 69 13.020 -8.416 4.033 524 HA VAL 69 HA VAL 69 13.676 -6.068 5.329 525 HB VAL 69 HB VAL 69 14.569 -7.223 7.158 526 HG11 VAL 69 HG11 VAL 69 14.844 -9.441 6.828 527 HG12 VAL 69 HG12 VAL 69 15.344 -9.234 5.132 528 HG13 VAL 69 HG13 VAL 69 16.523 -8.990 6.444 529 HG21 VAL 69 HG21 VAL 69 17.223 -7.109 6.002 530 HG22 VAL 69 HG22 VAL 69 16.239 -5.731 5.454 531 HG23 VAL 69 HG23 VAL 69 16.457 -6.032 7.194 532 H ARG 70 H ARG 70 13.102 -6.422 2.782 533 HA ARG 70 HA ARG 70 13.788 -6.068 0.765 534 HB2 ARG 70 HB2 ARG 70 16.151 -5.184 2.358 535 HB3 ARG 70 HB3 ARG 70 16.517 -5.564 0.687 536 HG2 ARG 70 HG2 ARG 70 14.424 -4.088 0.110 537 HG3 ARG 70 HG3 ARG 70 14.560 -3.497 1.754 538 HD2 ARG 70 HD2 ARG 70 15.871 -1.942 0.558 539 HD3 ARG 70 HD3 ARG 70 17.084 -3.054 1.161 540 HE ARG 70 HE ARG 70 16.238 -4.070 -1.344 541 HH11 ARG 70 HH22 ARG 70 17.856 -1.204 -0.099 542 HH12 ARG 70 HH21 ARG 70 18.751 -0.921 -1.555 543 HH21 ARG 70 HH12 ARG 70 17.418 -3.697 -3.265 544 HH22 ARG 70 HH11 ARG 70 18.500 -2.348 -3.367 545 H PHE 71 H PHE 71 13.530 -8.121 -0.177 546 HA PHE 71 HA PHE 71 15.498 -10.157 0.294 547 HB2 PHE 71 HB2 PHE 71 12.942 -9.768 -1.341 548 HB3 PHE 71 HB3 PHE 71 13.917 -11.202 -1.596 549 HD1 PHE 71 HD2 PHE 71 14.586 -12.431 0.706 550 HD2 PHE 71 HD1 PHE 71 11.192 -9.947 0.141 551 HE1 PHE 71 HE2 PHE 71 13.444 -13.551 2.640 552 HE2 PHE 71 HE1 PHE 71 10.050 -11.068 2.076 553 HZ PHE 71 HZ PHE 71 11.190 -12.856 3.302 554 H LYS 72 H LYS 72 14.094 -8.965 -2.833 555 HA LYS 72 HA LYS 72 15.014 -8.576 -4.800 556 HB2 LYS 72 HB2 LYS 72 16.192 -6.803 -3.517 557 HB3 LYS 72 HB3 LYS 72 17.528 -7.903 -3.242 558 HG2 LYS 72 HG2 LYS 72 18.323 -7.684 -5.383 559 HG3 LYS 72 HG3 LYS 72 16.721 -7.728 -6.092 560 HD2 LYS 72 HD2 LYS 72 16.748 -5.284 -4.702 561 HD3 LYS 72 HD3 LYS 72 18.374 -5.400 -5.346 562 HE2 LYS 72 HE2 LYS 72 16.767 -6.237 -7.496 563 HE3 LYS 72 HE3 LYS 72 15.828 -4.949 -6.768 564 HZ1 LYS 72 HZ1 LYS 72 17.223 -3.829 -8.157 565 HZ2 LYS 72 HZ2 LYS 72 18.077 -3.737 -6.768 566 HZ3 LYS 72 HZ3 LYS 72 18.498 -4.820 -7.915 567 H ARG 73 H ARG 73 14.647 -10.954 -5.070 568 HA ARG 73 HA ARG 73 17.024 -12.083 -6.073 569 HB2 ARG 73 HB2 ARG 73 16.823 -14.226 -4.677 570 HB3 ARG 73 HB3 ARG 73 17.434 -12.829 -3.813 571 HG2 ARG 73 HG2 ARG 73 14.997 -12.380 -3.080 572 HG3 ARG 73 HG3 ARG 73 14.605 -13.963 -3.722 573 HD2 ARG 73 HD2 ARG 73 16.966 -13.839 -1.872 574 HD3 ARG 73 HD3 ARG 73 15.399 -13.553 -1.141 575 HE ARG 73 HE ARG 73 15.068 -15.826 -2.771 576 HH11 ARG 73 HH22 ARG 73 17.033 -14.922 0.004 577 HH12 ARG 73 HH21 ARG 73 17.141 -16.539 0.616 578 HH21 ARG 73 HH12 ARG 73 15.210 -17.959 -1.964 579 HH22 ARG 73 HH11 ARG 73 16.097 -18.278 -0.511 580 H SER 74 H SER 74 13.652 -12.711 -4.889 581 HA SER 74 HA SER 74 13.177 -14.030 -7.447 582 HB2 SER 74 HB2 SER 74 11.849 -14.724 -4.791 583 HB3 SER 74 HB3 SER 74 11.582 -15.534 -6.322 584 HG SER 74 HG SER 74 13.147 -16.834 -5.628 585 H LYS 75 H LYS 75 10.467 -14.221 -7.536 586 HA LYS 75 HA LYS 75 9.041 -12.081 -6.447 587 HB2 LYS 75 HB2 LYS 75 8.754 -10.790 -8.640 588 HB3 LYS 75 HB3 LYS 75 10.217 -10.513 -7.716 589 HG2 LYS 75 HG2 LYS 75 11.281 -12.389 -9.197 590 HG3 LYS 75 HG3 LYS 75 9.889 -12.179 -10.240 591 HD2 LYS 75 HD2 LYS 75 10.639 -9.555 -9.892 592 HD3 LYS 75 HD3 LYS 75 12.198 -10.343 -9.763 593 HE2 LYS 75 HE2 LYS 75 12.266 -10.779 -11.998 594 HE3 LYS 75 HE3 LYS 75 10.659 -11.477 -11.984 595 HZ1 LYS 75 HZ1 LYS 75 10.827 -9.467 -13.323 596 HZ2 LYS 75 HZ2 LYS 75 9.732 -9.299 -12.123 597 HZ3 LYS 75 HZ3 LYS 75 11.197 -8.588 -11.998 598 H LYS 76 H LYS 76 7.014 -12.878 -6.377 599 HA LYS 76 HA LYS 76 6.074 -14.364 -8.708 600 HB2 LYS 76 HB2 LYS 76 5.051 -16.049 -7.119 601 HB3 LYS 76 HB3 LYS 76 6.785 -16.152 -7.346 602 HG2 LYS 76 HG2 LYS 76 6.821 -14.488 -5.236 603 HG3 LYS 76 HG3 LYS 76 5.239 -15.183 -4.941 604 HD2 LYS 76 HD2 LYS 76 6.536 -17.493 -5.367 605 HD3 LYS 76 HD3 LYS 76 7.940 -16.537 -4.933 606 HE2 LYS 76 HE2 LYS 76 7.389 -16.607 -2.730 607 HE3 LYS 76 HE3 LYS 76 5.787 -15.976 -3.056 608 HZ1 LYS 76 HZ1 LYS 76 5.827 -18.222 -2.092 609 HZ2 LYS 76 HZ2 LYS 76 5.018 -18.150 -3.509 610 HZ3 LYS 76 HZ3 LYS 76 6.519 -18.791 -3.457 611 H ILE 77 H ILE 77 5.068 -13.292 -5.379 612 HA ILE 77 HA ILE 77 3.353 -11.314 -6.271 613 HB ILE 77 HB ILE 77 2.006 -12.904 -7.359 614 HG12 ILE 77 HG12 ILE 77 0.060 -12.994 -5.374 615 HG13 ILE 77 HG13 ILE 77 1.031 -11.606 -4.926 616 HG21 ILE 77 HG21 ILE 77 3.047 -14.838 -5.952 617 HG22 ILE 77 HG22 ILE 77 1.633 -14.586 -4.901 618 HG23 ILE 77 HG23 ILE 77 1.404 -15.005 -6.616 619 HD11 ILE 77 HD11 ILE 77 0.497 -10.421 -6.848 620 HD12 ILE 77 HD12 ILE 77 0.329 -11.893 -7.834 621 HD13 ILE 77 HD13 ILE 77 -0.970 -11.420 -6.713 622 H MET 78 H MET 78 4.556 -10.422 -4.476 623 HA MET 78 HA MET 78 3.207 -10.154 -2.206 624 HB2 MET 78 HB2 MET 78 4.486 -12.788 -2.283 625 HB3 MET 78 HB3 MET 78 5.181 -11.848 -0.978 626 HG2 MET 78 HG2 MET 78 2.165 -11.975 -1.336 627 HG3 MET 78 HG3 MET 78 3.013 -13.265 -0.507 628 HE1 MET 78 HE1 MET 78 4.389 -11.717 2.669 629 HE2 MET 78 HE2 MET 78 3.808 -13.191 1.858 630 HE3 MET 78 HE3 MET 78 5.191 -12.293 1.189 631 HA PRO 79 HA PRO 79 7.771 -9.006 -1.606 632 HB2 PRO 79 HB2 PRO 79 9.650 -9.886 -3.385 633 HB3 PRO 79 HB3 PRO 79 9.317 -10.693 -1.866 634 HG2 PRO 79 HG2 PRO 79 8.540 -11.499 -4.602 635 HG3 PRO 79 HG3 PRO 79 8.596 -12.472 -3.145 636 HD2 PRO 79 HD2 PRO 79 6.252 -11.394 -4.400 637 HD3 PRO 79 HD3 PRO 79 6.321 -12.268 -2.882 638 H ALA 80 H ALA 80 8.115 -9.398 -5.092 639 HA ALA 80 HA ALA 80 8.693 -6.663 -5.421 640 HB1 ALA 80 HB1 ALA 80 9.547 -8.303 -6.969 641 HB2 ALA 80 HB2 ALA 80 7.908 -8.887 -7.342 642 HB3 ALA 80 HB3 ALA 80 8.415 -7.263 -7.865 643 H GLY 81 H GLY 81 5.733 -8.671 -6.001 644 HA2 GLY 81 HA2 GLY 81 4.038 -6.951 -7.173 645 HA3 GLY 81 HA3 GLY 81 3.555 -8.050 -5.896 646 H LEU 82 H LEU 82 4.673 -7.069 -3.590 647 HA LEU 82 HA LEU 82 2.985 -5.048 -2.852 648 HB2 LEU 82 HB2 LEU 82 5.348 -6.393 -1.758 649 HB3 LEU 82 HB3 LEU 82 5.133 -4.760 -1.158 650 HG LEU 82 HG LEU 82 3.061 -6.970 -1.030 651 HD11 LEU 82 HD11 LEU 82 5.198 -6.076 0.824 652 HD12 LEU 82 HD12 LEU 82 3.603 -6.403 1.543 653 HD13 LEU 82 HD13 LEU 82 4.440 -7.673 0.618 654 HD21 LEU 82 HD21 LEU 82 2.800 -4.114 -0.797 655 HD22 LEU 82 HD22 LEU 82 1.552 -5.380 -0.696 656 HD23 LEU 82 HD23 LEU 82 2.439 -4.886 0.766 657 H VAL 83 H VAL 83 6.423 -4.810 -3.964 658 HA VAL 83 HA VAL 83 6.662 -2.066 -3.659 659 HB VAL 83 HB VAL 83 7.931 -3.922 -5.682 660 HG11 VAL 83 HG11 VAL 83 9.334 -2.272 -6.327 661 HG12 VAL 83 HG12 VAL 83 8.037 -1.200 -5.747 662 HG13 VAL 83 HG13 VAL 83 9.426 -1.566 -4.695 663 HG21 VAL 83 HG21 VAL 83 9.483 -3.075 -3.325 664 HG22 VAL 83 HG22 VAL 83 8.079 -4.101 -2.947 665 HG23 VAL 83 HG23 VAL 83 9.323 -4.678 -4.081 666 H ALA 84 H ALA 84 5.170 -4.055 -6.232 667 HA ALA 84 HA ALA 84 4.900 -1.921 -8.071 668 HB1 ALA 84 HB1 ALA 84 4.354 -4.743 -7.904 669 HB2 ALA 84 HB2 ALA 84 2.892 -3.908 -8.480 670 HB3 ALA 84 HB3 ALA 84 4.432 -3.707 -9.349 671 H GLY 85 H GLY 85 3.087 -3.074 -5.247 672 HA2 GLY 85 HA2 GLY 85 0.646 -1.735 -5.865 673 HA3 GLY 85 HA3 GLY 85 1.140 -2.402 -4.321 674 H LEU 86 H LEU 86 3.442 -1.021 -3.646 675 HA LEU 86 HA LEU 86 2.409 1.399 -2.723 676 HB2 LEU 86 HB2 LEU 86 5.306 0.582 -2.959 677 HB3 LEU 86 HB3 LEU 86 4.643 1.810 -1.900 678 HG LEU 86 HG LEU 86 3.485 -0.900 -1.579 679 HD11 LEU 86 HD11 LEU 86 6.387 -0.440 -1.467 680 HD12 LEU 86 HD12 LEU 86 5.700 -1.169 0.005 681 HD13 LEU 86 HD13 LEU 86 5.460 -1.956 -1.574 682 HD21 LEU 86 HD21 LEU 86 4.588 1.024 0.480 683 HD22 LEU 86 HD22 LEU 86 2.938 1.119 -0.181 684 HD23 LEU 86 HD23 LEU 86 3.450 -0.322 0.729 685 H SER 87 H SER 87 4.464 0.562 -5.555 686 HA SER 87 HA SER 87 5.072 3.162 -6.255 687 HB2 SER 87 HB2 SER 87 5.238 0.489 -7.451 688 HB3 SER 87 HB3 SER 87 4.885 1.703 -8.664 689 HG SER 87 HG SER 87 6.926 2.310 -8.567 690 H LEU 88 H LEU 88 2.427 0.950 -7.415 691 HA LEU 88 HA LEU 88 1.244 2.654 -9.203 692 HB2 LEU 88 HB2 LEU 88 0.773 0.151 -8.215 693 HB3 LEU 88 HB3 LEU 88 -0.599 1.035 -7.577 694 HG LEU 88 HG LEU 88 -1.169 -0.016 -9.684 695 HD11 LEU 88 HD11 LEU 88 -1.311 2.509 -10.923 696 HD12 LEU 88 HD12 LEU 88 -2.549 1.702 -9.931 697 HD13 LEU 88 HD13 LEU 88 -1.381 2.810 -9.170 698 HD21 LEU 88 HD21 LEU 88 1.411 0.449 -10.447 699 HD22 LEU 88 HD22 LEU 88 0.094 -0.049 -11.535 700 HD23 LEU 88 HD23 LEU 88 0.531 1.671 -11.395 701 H MET 89 H MET 89 0.803 2.437 -5.627 702 HA MET 89 HA MET 89 -1.251 4.272 -5.480 703 HB2 MET 89 HB2 MET 89 0.929 3.284 -3.602 704 HB3 MET 89 HB3 MET 89 -0.104 4.596 -3.070 705 HG2 MET 89 HG2 MET 89 -2.096 3.042 -3.806 706 HG3 MET 89 HG3 MET 89 -0.907 1.755 -3.798 707 HE1 MET 89 HE1 MET 89 0.339 0.887 -1.828 708 HE2 MET 89 HE2 MET 89 -0.534 0.776 -0.281 709 HE3 MET 89 HE3 MET 89 -1.316 0.234 -1.785 710 H MET 90 H MET 90 2.337 4.714 -5.295 711 HA MET 90 HA MET 90 2.356 7.360 -4.636 712 HB2 MET 90 HB2 MET 90 4.299 5.643 -4.933 713 HB3 MET 90 HB3 MET 90 4.260 6.038 -6.640 714 HG2 MET 90 HG2 MET 90 4.392 8.562 -5.701 715 HG3 MET 90 HG3 MET 90 5.100 7.764 -4.311 716 HE1 MET 90 HE1 MET 90 6.148 8.553 -8.374 717 HE2 MET 90 HE2 MET 90 5.503 9.545 -7.044 718 HE3 MET 90 HE3 MET 90 7.257 9.483 -7.337 719 H ILE 91 H ILE 91 2.499 5.920 -7.978 720 HA ILE 91 HA ILE 91 2.506 8.279 -9.378 721 HB ILE 91 HB ILE 91 1.279 5.610 -10.075 722 HG12 ILE 91 HG12 ILE 91 3.568 5.274 -9.616 723 HG13 ILE 91 HG13 ILE 91 3.441 5.365 -11.361 724 HG21 ILE 91 HG21 ILE 91 1.169 8.116 -11.481 725 HG22 ILE 91 HG22 ILE 91 2.155 6.952 -12.397 726 HG23 ILE 91 HG23 ILE 91 0.489 6.533 -11.930 727 HD11 ILE 91 HD11 ILE 91 5.245 6.796 -10.994 728 HD12 ILE 91 HD12 ILE 91 3.902 7.963 -10.954 729 HD13 ILE 91 HD13 ILE 91 4.609 7.367 -9.433 730 H LEU 92 H LEU 92 -0.358 6.305 -8.336 731 HA LEU 92 HA LEU 92 -2.283 7.998 -9.365 732 HB2 LEU 92 HB2 LEU 92 -2.186 5.637 -7.923 733 HB3 LEU 92 HB3 LEU 92 -3.008 6.738 -6.835 734 HG LEU 92 HG LEU 92 -4.244 7.172 -9.307 735 HD11 LEU 92 HD11 LEU 92 -2.980 4.681 -9.489 736 HD12 LEU 92 HD12 LEU 92 -4.685 4.317 -9.132 737 HD13 LEU 92 HD13 LEU 92 -4.266 5.324 -10.538 738 HD21 LEU 92 HD21 LEU 92 -5.212 5.367 -7.077 739 HD22 LEU 92 HD22 LEU 92 -5.243 7.145 -7.021 740 HD23 LEU 92 HD23 LEU 92 -6.199 6.277 -8.246 741 H ARG 93 H ARG 93 -0.223 8.283 -6.497 742 HA ARG 93 HA ARG 93 -1.834 10.251 -5.288 743 HB2 ARG 93 HB2 ARG 93 0.641 8.814 -4.712 744 HB3 ARG 93 HB3 ARG 93 0.874 10.521 -4.389 745 HG2 ARG 93 HG2 ARG 93 -0.380 10.403 -2.501 746 HG3 ARG 93 HG3 ARG 93 -1.730 9.713 -3.379 747 HD2 ARG 93 HD2 ARG 93 -0.891 7.456 -3.096 748 HD3 ARG 93 HD3 ARG 93 0.673 8.029 -2.550 749 HE ARG 93 HE ARG 93 -0.221 8.419 -0.406 750 HH11 ARG 93 HH22 ARG 93 -2.822 7.799 -2.694 751 HH12 ARG 93 HH21 ARG 93 -4.039 7.662 -1.469 752 HH21 ARG 93 HH12 ARG 93 -1.827 8.239 1.210 753 HH22 ARG 93 HH11 ARG 93 -3.469 7.914 0.767 754 H LEU 94 H LEU 94 0.823 10.178 -7.657 755 HA LEU 94 HA LEU 94 1.757 12.757 -7.468 756 HB2 LEU 94 HB2 LEU 94 2.597 10.799 -8.846 757 HB3 LEU 94 HB3 LEU 94 1.388 11.228 -10.039 758 HG LEU 94 HG LEU 94 3.096 13.481 -9.206 759 HD11 LEU 94 HD11 LEU 94 4.293 10.981 -10.374 760 HD12 LEU 94 HD12 LEU 94 4.960 12.584 -10.765 761 HD13 LEU 94 HD13 LEU 94 4.904 12.033 -9.074 762 HD21 LEU 94 HD21 LEU 94 3.256 13.177 -11.946 763 HD22 LEU 94 HD22 LEU 94 1.649 12.519 -11.556 764 HD23 LEU 94 HD23 LEU 94 2.076 14.175 -11.064 765 H VAL 95 H VAL 95 -0.587 11.674 -10.022 766 HA VAL 95 HA VAL 95 -1.396 14.146 -10.800 767 HB VAL 95 HB VAL 95 -3.027 11.608 -10.574 768 HG11 VAL 95 HG11 VAL 95 -3.494 13.761 -12.626 769 HG12 VAL 95 HG12 VAL 95 -4.598 12.494 -12.040 770 HG13 VAL 95 HG13 VAL 95 -4.220 13.893 -11.007 771 HG21 VAL 95 HG21 VAL 95 -1.177 11.023 -11.865 772 HG22 VAL 95 HG22 VAL 95 -2.365 11.531 -13.089 773 HG23 VAL 95 HG23 VAL 95 -1.055 12.636 -12.608 774 H LEU 96 H LEU 96 -2.581 12.190 -8.013 775 HA LEU 96 HA LEU 96 -4.753 13.578 -7.249 776 HB2 LEU 96 HB2 LEU 96 -3.064 11.690 -6.142 777 HB3 LEU 96 HB3 LEU 96 -2.972 13.019 -5.004 778 HG LEU 96 HG LEU 96 -5.716 12.717 -5.576 779 HD11 LEU 96 HD11 LEU 96 -4.857 10.435 -6.485 780 HD12 LEU 96 HD12 LEU 96 -4.685 10.014 -4.764 781 HD13 LEU 96 HD13 LEU 96 -6.276 10.479 -5.412 782 HD21 LEU 96 HD21 LEU 96 -5.476 11.600 -3.136 783 HD22 LEU 96 HD22 LEU 96 -3.884 12.383 -3.271 784 HD23 LEU 96 HD23 LEU 96 -5.369 13.350 -3.438 785 H LEU 97 H LEU 97 -1.327 14.589 -6.955 786 HA LEU 97 HA LEU 97 -1.533 16.685 -5.251 787 HB2 LEU 97 HB2 LEU 97 0.478 15.727 -6.485 788 HB3 LEU 97 HB3 LEU 97 0.049 16.786 -7.813 789 HG LEU 97 HG LEU 97 0.358 18.004 -5.099 790 HD11 LEU 97 HD11 LEU 97 2.480 16.541 -6.493 791 HD12 LEU 97 HD12 LEU 97 2.897 18.233 -6.130 792 HD13 LEU 97 HD13 LEU 97 2.398 17.138 -4.818 793 HD21 LEU 97 HD21 LEU 97 1.404 19.816 -6.548 794 HD22 LEU 97 HD22 LEU 97 0.837 18.877 -7.950 795 HD23 LEU 97 HD23 LEU 97 -0.335 19.512 -6.770 796 H LEU 98 H LEU 98 -2.312 16.667 -8.787 797 HA LEU 98 HA LEU 98 -3.097 19.387 -8.785 798 HB2 LEU 98 HB2 LEU 98 -2.405 17.603 -10.679 799 HB3 LEU 98 HB3 LEU 98 -4.149 17.519 -10.831 800 HG LEU 98 HG LEU 98 -3.230 19.105 -12.415 801 HD11 LEU 98 HD11 LEU 98 -4.461 21.064 -10.600 802 HD12 LEU 98 HD12 LEU 98 -4.958 20.517 -12.220 803 HD13 LEU 98 HD13 LEU 98 -5.381 19.551 -10.786 804 HD21 LEU 98 HD21 LEU 98 -1.188 19.679 -11.133 805 HD22 LEU 98 HD22 LEU 98 -2.040 21.104 -11.774 806 HD23 LEU 98 HD23 LEU 98 -2.182 20.684 -10.051 807 H LEU 99 H LEU 99 -4.779 16.241 -8.358 808 HA LEU 99 HA LEU 99 -7.375 17.118 -8.547 809 HB2 LEU 99 HB2 LEU 99 -6.399 14.768 -8.284 810 HB3 LEU 99 HB3 LEU 99 -6.425 15.068 -6.558 811 HG LEU 99 HG LEU 99 -8.944 15.477 -8.133 812 HD11 LEU 99 HD11 LEU 99 -9.551 13.164 -8.018 813 HD12 LEU 99 HD12 LEU 99 -7.985 13.286 -8.855 814 HD13 LEU 99 HD13 LEU 99 -8.047 12.755 -7.157 815 HD21 LEU 99 HD21 LEU 99 -9.617 14.254 -5.800 816 HD22 LEU 99 HD22 LEU 99 -8.145 15.131 -5.315 817 HD23 LEU 99 HD23 LEU 99 -9.515 16.016 -6.029 Start of MODEL 8 1 H MET 1 H1 MET 1 -19.991 -24.496 -15.907 2 HA MET 1 HA MET 1 -19.278 -22.540 -17.648 3 HB2 MET 1 HB2 MET 1 -19.478 -25.378 -17.599 4 HB3 MET 1 HB3 MET 1 -20.410 -24.908 -19.007 5 HG2 MET 1 HG2 MET 1 -18.338 -24.949 -20.026 6 HG3 MET 1 HG3 MET 1 -18.249 -23.311 -19.409 7 HE1 MET 1 HE1 MET 1 -15.146 -23.348 -17.495 8 HE2 MET 1 HE2 MET 1 -16.022 -22.765 -18.930 9 HE3 MET 1 HE3 MET 1 -16.738 -22.574 -17.312 10 H ASP 2 H ASP 2 -20.298 -21.220 -19.138 11 HA ASP 2 HA ASP 2 -21.870 -20.281 -20.303 12 HB2 ASP 2 HB2 ASP 2 -22.451 -22.966 -20.634 13 HB3 ASP 2 HB3 ASP 2 -23.964 -22.380 -19.971 14 H LEU 3 H LEU 3 -24.040 -19.159 -19.998 15 HA LEU 3 HA LEU 3 -25.516 -19.673 -17.617 16 HB2 LEU 3 HB2 LEU 3 -23.240 -18.179 -17.224 17 HB3 LEU 3 HB3 LEU 3 -24.460 -16.945 -17.465 18 HG LEU 3 HG LEU 3 -25.171 -19.132 -15.582 19 HD11 LEU 3 HD11 LEU 3 -23.872 -17.536 -13.837 20 HD12 LEU 3 HD12 LEU 3 -23.176 -19.017 -14.536 21 HD13 LEU 3 HD13 LEU 3 -22.773 -17.430 -15.233 22 HD21 LEU 3 HD21 LEU 3 -26.431 -17.505 -14.517 23 HD22 LEU 3 HD22 LEU 3 -25.408 -16.173 -15.106 24 HD23 LEU 3 HD23 LEU 3 -26.514 -17.007 -16.224 25 H ILE 4 H ILE 4 -24.668 -16.801 -19.684 26 HA ILE 4 HA ILE 4 -26.953 -17.000 -21.268 27 HB ILE 4 HB ILE 4 -28.191 -16.557 -19.244 28 HG12 ILE 4 HG12 ILE 4 -29.027 -14.114 -20.067 29 HG13 ILE 4 HG13 ILE 4 -28.133 -14.615 -21.489 30 HG21 ILE 4 HG21 ILE 4 -26.274 -15.356 -18.096 31 HG22 ILE 4 HG22 ILE 4 -26.771 -13.902 -18.995 32 HG23 ILE 4 HG23 ILE 4 -27.899 -14.672 -17.853 33 HD11 ILE 4 HD11 ILE 4 -30.729 -15.520 -20.569 34 HD12 ILE 4 HD12 ILE 4 -29.895 -15.896 -22.096 35 HD13 ILE 4 HD13 ILE 4 -29.616 -16.906 -20.657 36 H GLY 5 H GLY 5 -24.794 -14.651 -19.547 37 HA2 GLY 5 HA2 GLY 5 -23.556 -13.888 -22.014 38 HA3 GLY 5 HA3 GLY 5 -24.665 -12.664 -21.427 39 H PHE 6 H PHE 6 -21.800 -12.323 -21.642 40 HA PHE 6 HA PHE 6 -20.781 -12.596 -18.955 41 HB2 PHE 6 HB2 PHE 6 -19.854 -12.182 -21.720 42 HB3 PHE 6 HB3 PHE 6 -19.127 -10.977 -20.676 43 HD1 PHE 6 HD2 PHE 6 -17.797 -11.749 -18.674 44 HD2 PHE 6 HD1 PHE 6 -19.088 -14.417 -21.711 45 HE1 PHE 6 HE2 PHE 6 -16.086 -13.427 -17.927 46 HE2 PHE 6 HE1 PHE 6 -17.377 -16.094 -20.964 47 HZ PHE 6 HZ PHE 6 -15.896 -15.579 -19.082 48 H GLY 7 H GLY 7 -21.366 -9.902 -21.329 49 HA2 GLY 7 HA2 GLY 7 -20.697 -7.712 -19.969 50 HA3 GLY 7 HA3 GLY 7 -22.164 -7.811 -20.923 51 H TYR 8 H TYR 8 -23.929 -9.347 -19.568 52 HA TYR 8 HA TYR 8 -24.961 -7.737 -17.634 53 HB2 TYR 8 HB2 TYR 8 -25.049 -10.653 -18.451 54 HB3 TYR 8 HB3 TYR 8 -25.783 -10.282 -16.904 55 HD1 TYR 8 HD2 TYR 8 -27.490 -8.237 -16.937 56 HD2 TYR 8 HD1 TYR 8 -26.360 -10.527 -20.370 57 HE1 TYR 8 HE2 TYR 8 -29.619 -7.518 -18.127 58 HE2 TYR 8 HE1 TYR 8 -28.493 -9.800 -21.548 59 HH TYR 8 HH TYR 8 -30.983 -8.939 -20.393 60 H ALA 9 H ALA 9 -22.860 -10.657 -17.144 61 HA ALA 9 HA ALA 9 -22.879 -10.593 -14.375 62 HB1 ALA 9 HB1 ALA 9 -22.074 -12.473 -15.762 63 HB2 ALA 9 HB2 ALA 9 -20.686 -11.491 -16.289 64 HB3 ALA 9 HB3 ALA 9 -20.841 -11.969 -14.581 65 H ALA 10 H ALA 10 -20.997 -8.739 -16.790 66 HA ALA 10 HA ALA 10 -19.159 -7.686 -14.908 67 HB1 ALA 10 HB1 ALA 10 -18.220 -7.321 -16.926 68 HB2 ALA 10 HB2 ALA 10 -19.782 -7.486 -17.764 69 HB3 ALA 10 HB3 ALA 10 -19.308 -5.919 -17.065 70 H LEU 11 H LEU 11 -22.449 -6.887 -15.968 71 HA LEU 11 HA LEU 11 -22.426 -4.221 -15.036 72 HB2 LEU 11 HB2 LEU 11 -24.104 -5.836 -16.519 73 HB3 LEU 11 HB3 LEU 11 -25.005 -5.597 -15.035 74 HG LEU 11 HG LEU 11 -24.474 -3.066 -15.396 75 HD11 LEU 11 HD11 LEU 11 -22.851 -3.543 -17.257 76 HD12 LEU 11 HD12 LEU 11 -24.245 -3.998 -18.265 77 HD13 LEU 11 HD13 LEU 11 -24.108 -2.340 -17.632 78 HD21 LEU 11 HD21 LEU 11 -26.683 -4.456 -15.670 79 HD22 LEU 11 HD22 LEU 11 -26.581 -2.783 -16.270 80 HD23 LEU 11 HD23 LEU 11 -26.420 -4.146 -17.403 81 H VAL 12 H VAL 12 -23.861 -7.260 -13.642 82 HA VAL 12 HA VAL 12 -24.617 -6.153 -11.235 83 HB VAL 12 HB VAL 12 -23.721 -8.943 -11.972 84 HG11 VAL 12 HG11 VAL 12 -25.381 -8.239 -9.545 85 HG12 VAL 12 HG12 VAL 12 -24.569 -9.773 -9.938 86 HG13 VAL 12 HG13 VAL 12 -23.606 -8.351 -9.473 87 HG21 VAL 12 HG21 VAL 12 -26.565 -8.214 -11.428 88 HG22 VAL 12 HG22 VAL 12 -25.845 -7.653 -12.956 89 HG23 VAL 12 HG23 VAL 12 -25.880 -9.391 -12.574 90 H THR 13 H THR 13 -21.475 -7.656 -12.213 91 HA THR 13 HA THR 13 -20.232 -7.532 -9.738 92 HB THR 13 HB THR 13 -19.170 -7.307 -12.602 93 HG1 THR 13 HG1 THR 13 -19.504 -9.386 -10.554 94 HG21 THR 13 HG21 THR 13 -17.003 -7.797 -11.796 95 HG22 THR 13 HG22 THR 13 -17.578 -6.649 -10.563 96 HG23 THR 13 HG23 THR 13 -17.616 -8.399 -10.237 97 H PHE 14 H PHE 14 -19.481 -5.213 -12.414 98 HA PHE 14 HA PHE 14 -18.170 -3.364 -11.049 99 HB2 PHE 14 HB2 PHE 14 -19.310 -3.558 -13.511 100 HB3 PHE 14 HB3 PHE 14 -20.500 -2.484 -12.802 101 HD1 PHE 14 HD2 PHE 14 -16.779 -2.764 -13.045 102 HD2 PHE 14 HD1 PHE 14 -20.179 -0.227 -13.103 103 HE1 PHE 14 HE2 PHE 14 -15.302 -0.797 -13.547 104 HE2 PHE 14 HE1 PHE 14 -18.703 1.740 -13.605 105 HZ PHE 14 HZ PHE 14 -16.282 1.431 -13.820 106 H GLY 15 H GLY 15 -21.768 -3.713 -11.071 107 HA2 GLY 15 HA2 GLY 15 -22.408 -1.418 -9.633 108 HA3 GLY 15 HA3 GLY 15 -23.347 -2.896 -9.698 109 H SER 16 H SER 16 -22.681 -4.728 -8.207 110 HA SER 16 HA SER 16 -22.759 -4.057 -5.657 111 HB2 SER 16 HB2 SER 16 -21.139 -6.386 -6.780 112 HB3 SER 16 HB3 SER 16 -21.737 -6.275 -5.137 113 HG SER 16 HG SER 16 -23.212 -6.629 -7.576 114 H ILE 17 H ILE 17 -19.705 -4.569 -7.554 115 HA ILE 17 HA ILE 17 -17.882 -4.184 -5.564 116 HB ILE 17 HB ILE 17 -17.948 -3.824 -8.499 117 HG12 ILE 17 HG12 ILE 17 -15.914 -5.303 -8.269 118 HG13 ILE 17 HG13 ILE 17 -16.197 -5.332 -6.540 119 HG21 ILE 17 HG21 ILE 17 -15.615 -2.955 -8.521 120 HG22 ILE 17 HG22 ILE 17 -16.818 -1.779 -7.940 121 HG23 ILE 17 HG23 ILE 17 -15.764 -2.621 -6.779 122 HD11 ILE 17 HD11 ILE 17 -17.236 -7.299 -7.586 123 HD12 ILE 17 HD12 ILE 17 -18.505 -6.229 -6.943 124 HD13 ILE 17 HD13 ILE 17 -18.161 -6.253 -8.689 125 H PHE 18 H PHE 18 -19.410 -1.642 -7.659 126 HA PHE 18 HA PHE 18 -18.146 0.509 -6.456 127 HB2 PHE 18 HB2 PHE 18 -20.513 -0.129 -8.162 128 HB3 PHE 18 HB3 PHE 18 -20.742 1.335 -7.226 129 HD1 PHE 18 HD1 PHE 18 -17.725 -0.079 -8.917 130 HD2 PHE 18 HD2 PHE 18 -20.471 3.143 -8.630 131 HE1 PHE 18 HE1 PHE 18 -16.388 1.210 -10.605 132 HE2 PHE 18 HE2 PHE 18 -19.135 4.433 -10.319 133 HZ PHE 18 HZ PHE 18 -17.109 3.451 -11.286 134 H GLY 19 H GLY 19 -20.940 -1.444 -5.437 135 HA2 GLY 19 HA2 GLY 19 -21.909 0.447 -3.514 136 HA3 GLY 19 HA3 GLY 19 -22.376 -1.232 -3.699 137 H TYR 20 H TYR 20 -19.390 -2.042 -3.623 138 HA TYR 20 HA TYR 20 -18.215 -1.260 -1.253 139 HB2 TYR 20 HB2 TYR 20 -20.619 -2.790 -0.918 140 HB3 TYR 20 HB3 TYR 20 -19.330 -3.952 -0.680 141 HD1 TYR 20 HD2 TYR 20 -19.407 -0.329 0.253 142 HD2 TYR 20 HD1 TYR 20 -19.351 -4.381 1.625 143 HE1 TYR 20 HE2 TYR 20 -19.115 0.478 2.647 144 HE2 TYR 20 HE1 TYR 20 -19.060 -3.561 4.013 145 HH TYR 20 HH TYR 20 -18.332 -1.708 5.202 146 H LYS 21 H LYS 21 -19.066 -4.559 -2.527 147 HA LYS 21 HA LYS 21 -16.793 -4.895 -4.053 148 HB2 LYS 21 HB2 LYS 21 -16.029 -4.775 -1.401 149 HB3 LYS 21 HB3 LYS 21 -16.183 -6.500 -1.667 150 HG2 LYS 21 HG2 LYS 21 -14.527 -6.539 -3.340 151 HG3 LYS 21 HG3 LYS 21 -14.762 -4.855 -3.765 152 HD2 LYS 21 HD2 LYS 21 -13.812 -4.234 -1.470 153 HD3 LYS 21 HD3 LYS 21 -13.414 -5.926 -1.244 154 HE2 LYS 21 HE2 LYS 21 -12.492 -4.539 -3.772 155 HE3 LYS 21 HE3 LYS 21 -11.627 -4.233 -2.279 156 HZ1 LYS 21 HZ1 LYS 21 -11.571 -6.524 -3.901 157 HZ2 LYS 21 HZ2 LYS 21 -10.597 -6.128 -2.651 158 HZ3 LYS 21 HZ3 LYS 21 -11.989 -6.937 -2.377 159 H ARG 22 H ARG 22 -16.364 -7.430 -4.325 160 HA ARG 22 HA ARG 22 -18.304 -9.192 -3.523 161 HB2 ARG 22 HB2 ARG 22 -19.592 -7.534 -5.182 162 HB3 ARG 22 HB3 ARG 22 -18.812 -8.488 -6.428 163 HG2 ARG 22 HG2 ARG 22 -20.681 -9.811 -6.188 164 HG3 ARG 22 HG3 ARG 22 -19.745 -10.522 -4.888 165 HD2 ARG 22 HD2 ARG 22 -21.568 -8.131 -4.396 166 HD3 ARG 22 HD3 ARG 22 -22.186 -9.770 -4.353 167 HE ARG 22 HE ARG 22 -20.625 -8.498 -2.298 168 HH11 ARG 22 HH22 ARG 22 -21.035 -11.608 -3.893 169 HH12 ARG 22 HH21 ARG 22 -20.488 -12.524 -2.529 170 HH21 ARG 22 HH12 ARG 22 -19.903 -9.706 -0.498 171 HH22 ARG 22 HH11 ARG 22 -19.841 -11.435 -0.584 172 H ARG 23 H ARG 23 -15.790 -9.756 -3.469 173 HA ARG 23 HA ARG 23 -15.412 -11.572 -5.642 174 HB2 ARG 23 HB2 ARG 23 -14.010 -9.034 -5.563 175 HB3 ARG 23 HB3 ARG 23 -12.843 -10.310 -5.278 176 HG2 ARG 23 HG2 ARG 23 -13.459 -11.451 -7.341 177 HG3 ARG 23 HG3 ARG 23 -14.851 -10.411 -7.573 178 HD2 ARG 23 HD2 ARG 23 -13.594 -8.800 -8.583 179 HD3 ARG 23 HD3 ARG 23 -12.410 -8.810 -7.291 180 HE ARG 23 HE ARG 23 -11.039 -10.041 -8.709 181 HH11 ARG 23 HH22 ARG 23 -14.387 -10.804 -9.480 182 HH12 ARG 23 HH21 ARG 23 -13.976 -11.907 -10.751 183 HH21 ARG 23 HH12 ARG 23 -10.497 -11.496 -10.385 184 HH22 ARG 23 HH11 ARG 23 -11.749 -12.304 -11.269 185 H GLY 24 H GLY 24 -13.333 -9.989 -3.097 186 HA2 GLY 24 HA2 GLY 24 -12.188 -10.843 -1.363 187 HA3 GLY 24 HA3 GLY 24 -13.504 -11.984 -1.177 188 H GLY 25 H GLY 25 -10.233 -11.469 -2.363 189 HA2 GLY 25 HA2 GLY 25 -10.101 -14.318 -3.157 190 HA3 GLY 25 HA3 GLY 25 -9.190 -13.039 -3.935 191 H VAL 26 H VAL 26 -7.724 -11.678 -2.418 192 HA VAL 26 HA VAL 26 -6.626 -13.448 -0.344 193 HB VAL 26 HB VAL 26 -5.152 -13.534 -2.197 194 HG11 VAL 26 HG11 VAL 26 -4.183 -11.000 -2.739 195 HG12 VAL 26 HG12 VAL 26 -5.341 -11.913 -3.737 196 HG13 VAL 26 HG13 VAL 26 -5.932 -10.728 -2.547 197 HG21 VAL 26 HG21 VAL 26 -3.266 -13.183 -1.017 198 HG22 VAL 26 HG22 VAL 26 -3.618 -11.455 -0.777 199 HG23 VAL 26 HG23 VAL 26 -4.366 -12.672 0.286 200 HA PRO 27 HA PRO 27 -7.641 -9.789 1.891 201 HB2 PRO 27 HB2 PRO 27 -7.690 -10.944 4.367 202 HB3 PRO 27 HB3 PRO 27 -9.088 -10.880 3.312 203 HG2 PRO 27 HG2 PRO 27 -7.339 -13.181 3.935 204 HG3 PRO 27 HG3 PRO 27 -8.949 -13.182 3.245 205 HD2 PRO 27 HD2 PRO 27 -6.481 -13.592 1.843 206 HD3 PRO 27 HD3 PRO 27 -8.081 -13.477 1.137 207 H SER 28 H SER 28 -6.027 -8.343 1.773 208 HA SER 28 HA SER 28 -4.232 -8.300 3.863 209 HB2 SER 28 HB2 SER 28 -2.359 -9.384 3.175 210 HB3 SER 28 HB3 SER 28 -3.408 -10.203 2.035 211 HG SER 28 HG SER 28 -1.427 -9.111 1.141 212 H LEU 29 H LEU 29 -4.115 -7.681 0.270 213 HA LEU 29 HA LEU 29 -2.866 -5.301 0.252 214 HB2 LEU 29 HB2 LEU 29 -4.015 -4.833 -1.821 215 HB3 LEU 29 HB3 LEU 29 -3.519 -6.512 -1.732 216 HG LEU 29 HG LEU 29 -6.047 -6.758 -0.811 217 HD11 LEU 29 HD11 LEU 29 -7.013 -4.712 -0.976 218 HD12 LEU 29 HD12 LEU 29 -5.943 -4.183 -2.296 219 HD13 LEU 29 HD13 LEU 29 -7.309 -5.271 -2.640 220 HD21 LEU 29 HD21 LEU 29 -4.771 -6.994 -3.480 221 HD22 LEU 29 HD22 LEU 29 -5.602 -8.213 -2.484 222 HD23 LEU 29 HD23 LEU 29 -6.549 -7.044 -3.435 223 H ILE 30 H ILE 30 -6.388 -5.850 0.882 224 HA ILE 30 HA ILE 30 -7.182 -3.244 1.075 225 HB ILE 30 HB ILE 30 -8.071 -5.672 2.629 226 HG12 ILE 30 HG12 ILE 30 -8.231 -5.831 0.161 227 HG13 ILE 30 HG13 ILE 30 -9.789 -5.887 0.963 228 HG21 ILE 30 HG21 ILE 30 -8.846 -3.838 3.899 229 HG22 ILE 30 HG22 ILE 30 -9.278 -2.908 2.444 230 HG23 ILE 30 HG23 ILE 30 -10.220 -4.350 2.890 231 HD11 ILE 30 HD11 ILE 30 -9.960 -4.399 -0.962 232 HD12 ILE 30 HD12 ILE 30 -10.062 -3.413 0.516 233 HD13 ILE 30 HD13 ILE 30 -8.547 -3.464 -0.417 234 H ALA 31 H ALA 31 -5.804 -5.340 3.696 235 HA ALA 31 HA ALA 31 -5.885 -3.424 5.694 236 HB1 ALA 31 HB1 ALA 31 -5.228 -6.035 5.549 237 HB2 ALA 31 HB2 ALA 31 -3.591 -5.338 5.598 238 HB3 ALA 31 HB3 ALA 31 -4.742 -4.998 6.912 239 H GLY 32 H GLY 32 -3.608 -3.946 2.992 240 HA2 GLY 32 HA2 GLY 32 -1.560 -2.236 3.968 241 HA3 GLY 32 HA3 GLY 32 -1.778 -2.810 2.326 242 H LEU 33 H LEU 33 -4.616 -1.754 2.183 243 HA LEU 33 HA LEU 33 -3.897 0.876 1.315 244 HB2 LEU 33 HB2 LEU 33 -6.057 -1.032 0.924 245 HB3 LEU 33 HB3 LEU 33 -6.659 0.599 1.147 246 HG LEU 33 HG LEU 33 -4.760 1.152 -0.650 247 HD11 LEU 33 HD11 LEU 33 -3.897 -0.552 -1.783 248 HD12 LEU 33 HD12 LEU 33 -4.620 -1.641 -0.574 249 HD13 LEU 33 HD13 LEU 33 -5.506 -1.258 -2.070 250 HD21 LEU 33 HD21 LEU 33 -7.605 0.278 -0.962 251 HD22 LEU 33 HD22 LEU 33 -6.864 1.879 -1.198 252 HD23 LEU 33 HD23 LEU 33 -6.633 0.602 -2.417 253 H PHE 34 H PHE 34 -5.654 -0.629 4.047 254 HA PHE 34 HA PHE 34 -6.744 1.777 5.017 255 HB2 PHE 34 HB2 PHE 34 -6.243 -1.069 5.864 256 HB3 PHE 34 HB3 PHE 34 -6.423 0.060 7.193 257 HD1 PHE 34 HD2 PHE 34 -8.120 -0.943 4.025 258 HD2 PHE 34 HD1 PHE 34 -8.547 0.532 7.981 259 HE1 PHE 34 HE2 PHE 34 -10.616 -1.086 3.809 260 HE2 PHE 34 HE1 PHE 34 -11.044 0.389 7.764 261 HZ PHE 34 HZ PHE 34 -12.048 -0.419 5.681 262 H VAL 35 H VAL 35 -3.691 -0.031 5.678 263 HA VAL 35 HA VAL 35 -2.903 1.676 7.796 264 HB VAL 35 HB VAL 35 -2.166 -0.657 7.482 265 HG11 VAL 35 HG11 VAL 35 -1.914 -0.564 5.006 266 HG12 VAL 35 HG12 VAL 35 -0.450 0.425 5.223 267 HG13 VAL 35 HG13 VAL 35 -0.493 -1.247 5.832 268 HG21 VAL 35 HG21 VAL 35 -0.885 0.934 8.886 269 HG22 VAL 35 HG22 VAL 35 0.148 -0.316 8.152 270 HG23 VAL 35 HG23 VAL 35 0.130 1.331 7.478 271 H GLY 36 H GLY 36 -2.111 1.464 4.270 272 HA2 GLY 36 HA2 GLY 36 -0.227 3.509 4.177 273 HA3 GLY 36 HA3 GLY 36 -1.249 2.981 2.855 274 H CYS 37 H CYS 37 -3.827 3.624 3.656 275 HA CYS 37 HA CYS 37 -3.954 6.319 3.086 276 HB2 CYS 37 HB2 CYS 37 -5.854 4.201 3.861 277 HB3 CYS 37 HB3 CYS 37 -6.363 5.813 4.323 278 HG CYS 37 HG CYS 37 -6.005 4.369 1.468 279 H LEU 38 H LEU 38 -4.819 4.671 6.225 280 HA LEU 38 HA LEU 38 -5.130 6.812 7.807 281 HB2 LEU 38 HB2 LEU 38 -5.188 4.245 8.251 282 HB3 LEU 38 HB3 LEU 38 -3.536 4.471 8.791 283 HG LEU 38 HG LEU 38 -4.914 6.475 10.133 284 HD11 LEU 38 HD11 LEU 38 -7.060 5.524 9.424 285 HD12 LEU 38 HD12 LEU 38 -6.612 3.965 10.156 286 HD13 LEU 38 HD13 LEU 38 -6.833 5.401 11.185 287 HD21 LEU 38 HD21 LEU 38 -4.787 4.398 11.947 288 HD22 LEU 38 HD22 LEU 38 -3.547 3.966 10.746 289 HD23 LEU 38 HD23 LEU 38 -3.480 5.545 11.565 290 H ALA 39 H ALA 39 -2.010 5.417 6.687 291 HA ALA 39 HA ALA 39 -0.331 6.930 8.291 292 HB1 ALA 39 HB1 ALA 39 1.374 6.220 6.817 293 HB2 ALA 39 HB2 ALA 39 0.140 4.943 6.695 294 HB3 ALA 39 HB3 ALA 39 0.273 6.177 5.420 295 H GLY 40 H GLY 40 -1.084 7.566 4.788 296 HA2 GLY 40 HA2 GLY 40 -0.083 10.169 4.769 297 HA3 GLY 40 HA3 GLY 40 -1.236 9.489 3.637 298 H TYR 41 H TYR 41 -3.598 9.295 4.501 299 HA TYR 41 HA TYR 41 -4.673 11.712 4.941 300 HB2 TYR 41 HB2 TYR 41 -5.317 8.848 5.296 301 HB3 TYR 41 HB3 TYR 41 -6.159 9.797 6.505 302 HD1 TYR 41 HD1 TYR 41 -5.653 9.427 2.833 303 HD2 TYR 41 HD2 TYR 41 -8.099 11.045 5.949 304 HE1 TYR 41 HE1 TYR 41 -7.442 10.025 1.129 305 HE2 TYR 41 HE2 TYR 41 -9.880 11.637 4.234 306 HH TYR 41 HH TYR 41 -10.332 10.418 1.615 307 H GLY 42 H GLY 42 -4.120 9.306 7.620 308 HA2 GLY 42 HA2 GLY 42 -4.813 10.871 9.747 309 HA3 GLY 42 HA3 GLY 42 -3.584 9.623 9.784 310 H ALA 43 H ALA 43 -1.530 10.607 8.202 311 HA ALA 43 HA ALA 43 -0.183 12.291 9.894 312 HB1 ALA 43 HB1 ALA 43 0.164 11.977 6.884 313 HB2 ALA 43 HB2 ALA 43 1.397 12.544 8.035 314 HB3 ALA 43 HB3 ALA 43 0.810 10.866 8.115 315 H TYR 44 H TYR 44 -2.372 13.042 7.152 316 HA TYR 44 HA TYR 44 -1.768 15.832 7.197 317 HB2 TYR 44 HB2 TYR 44 -2.719 14.226 5.325 318 HB3 TYR 44 HB3 TYR 44 -4.251 14.336 6.170 319 HD1 TYR 44 HD1 TYR 44 -5.332 16.640 6.439 320 HD2 TYR 44 HD2 TYR 44 -2.045 15.908 3.800 321 HE1 TYR 44 HE1 TYR 44 -5.878 18.767 5.157 322 HE2 TYR 44 HE2 TYR 44 -2.602 18.037 2.527 323 HH TYR 44 HH TYR 44 -3.774 20.241 3.134 324 H ARG 45 H ARG 45 -4.057 13.659 8.836 325 HA ARG 45 HA ARG 45 -5.762 15.776 9.615 326 HB2 ARG 45 HB2 ARG 45 -6.030 13.043 9.480 327 HB3 ARG 45 HB3 ARG 45 -5.741 13.230 11.199 328 HG2 ARG 45 HG2 ARG 45 -7.941 13.750 11.412 329 HG3 ARG 45 HG3 ARG 45 -7.577 15.278 10.634 330 HD2 ARG 45 HD2 ARG 45 -7.790 13.743 8.405 331 HD3 ARG 45 HD3 ARG 45 -8.817 12.797 9.464 332 HE ARG 45 HE ARG 45 -9.373 15.489 8.432 333 HH11 ARG 45 HH22 ARG 45 -10.156 13.121 10.915 334 HH12 ARG 45 HH21 ARG 45 -11.712 13.802 11.254 335 HH21 ARG 45 HH12 ARG 45 -11.426 16.388 8.880 336 HH22 ARG 45 HH11 ARG 45 -12.439 15.673 10.089 337 H VAL 46 H VAL 46 -2.912 14.078 10.922 338 HA VAL 46 HA VAL 46 -3.202 15.503 13.457 339 HB VAL 46 HB VAL 46 -2.812 13.046 13.407 340 HG11 VAL 46 HG11 VAL 46 -0.981 13.590 11.427 341 HG12 VAL 46 HG12 VAL 46 0.064 13.302 12.839 342 HG13 VAL 46 HG13 VAL 46 -1.103 12.059 12.327 343 HG21 VAL 46 HG21 VAL 46 -2.003 13.405 15.452 344 HG22 VAL 46 HG22 VAL 46 -0.385 13.683 14.765 345 HG23 VAL 46 HG23 VAL 46 -1.507 15.048 14.978 346 H SER 47 H SER 47 -2.765 17.200 11.300 347 HA SER 47 HA SER 47 -0.670 18.672 12.118 348 HB2 SER 47 HB2 SER 47 0.227 16.445 10.418 349 HB3 SER 47 HB3 SER 47 0.680 17.997 9.743 350 HG SER 47 HG SER 47 2.324 17.280 11.177 351 H ASN 48 H ASN 48 0.183 20.128 10.001 352 HA ASN 48 HA ASN 48 -2.172 20.481 8.329 353 HB2 ASN 48 HB2 ASN 48 -1.862 22.968 8.532 354 HB3 ASN 48 HB3 ASN 48 -2.243 22.228 10.075 355 HD21 ASN 48 HD21 ASN 48 -0.377 24.452 8.647 356 HD22 ASN 48 HD22 ASN 48 1.008 24.485 9.687 357 H ASP 49 H ASP 49 -0.183 19.018 7.272 358 HA ASP 49 HA ASP 49 0.676 20.345 5.096 359 HB2 ASP 49 HB2 ASP 49 3.205 20.495 5.630 360 HB3 ASP 49 HB3 ASP 49 2.177 21.767 6.261 361 H LYS 50 H LYS 50 2.928 19.071 4.241 362 HA LYS 50 HA LYS 50 3.909 17.146 3.758 363 HB2 LYS 50 HB2 LYS 50 4.071 16.950 6.300 364 HB3 LYS 50 HB3 LYS 50 2.676 15.892 6.220 365 HG2 LYS 50 HG2 LYS 50 3.916 14.148 5.438 366 HG3 LYS 50 HG3 LYS 50 4.685 15.139 4.215 367 HD2 LYS 50 HD2 LYS 50 6.517 14.577 5.567 368 HD3 LYS 50 HD3 LYS 50 6.069 16.137 6.228 369 HE2 LYS 50 HE2 LYS 50 5.095 15.198 8.163 370 HE3 LYS 50 HE3 LYS 50 4.787 13.656 7.390 371 HZ1 LYS 50 HZ1 LYS 50 6.832 14.111 8.992 372 HZ2 LYS 50 HZ2 LYS 50 6.844 12.958 7.836 373 HZ3 LYS 50 HZ3 LYS 50 7.554 14.402 7.556 374 H ARG 51 H ARG 51 3.352 15.698 2.183 375 HA ARG 51 HA ARG 51 0.573 14.837 2.225 376 HB2 ARG 51 HB2 ARG 51 2.223 15.843 -0.141 377 HB3 ARG 51 HB3 ARG 51 0.730 14.952 -0.355 378 HG2 ARG 51 HG2 ARG 51 -0.520 16.797 0.081 379 HG3 ARG 51 HG3 ARG 51 0.316 17.075 1.596 380 HD2 ARG 51 HD2 ARG 51 2.173 18.217 0.369 381 HD3 ARG 51 HD3 ARG 51 1.354 17.925 -1.153 382 HE ARG 51 HE ARG 51 -0.225 19.609 -0.630 383 HH11 ARG 51 HH22 ARG 51 1.824 18.936 2.150 384 HH12 ARG 51 HH21 ARG 51 1.294 20.326 3.038 385 HH21 ARG 51 HH12 ARG 51 -0.924 21.442 0.540 386 HH22 ARG 51 HH11 ARG 51 -0.279 21.761 2.116 387 H ASP 52 H ASP 52 0.354 12.943 0.403 388 HA ASP 52 HA ASP 52 1.942 10.877 1.343 389 HB2 ASP 52 HB2 ASP 52 0.958 9.668 -0.748 390 HB3 ASP 52 HB3 ASP 52 -0.158 10.235 0.479 391 H VAL 53 H VAL 53 4.180 11.690 0.969 392 HA VAL 53 HA VAL 53 5.015 11.264 -1.806 393 HB VAL 53 HB VAL 53 5.583 13.597 -0.002 394 HG11 VAL 53 HG11 VAL 53 7.776 12.659 -0.645 395 HG12 VAL 53 HG12 VAL 53 7.301 12.747 -2.359 396 HG13 VAL 53 HG13 VAL 53 7.475 14.240 -1.406 397 HG21 VAL 53 HG21 VAL 53 3.822 14.011 -1.535 398 HG22 VAL 53 HG22 VAL 53 5.258 14.807 -2.221 399 HG23 VAL 53 HG23 VAL 53 4.706 13.249 -2.879 400 H LYS 54 H LYS 54 6.580 12.095 1.366 401 HA LYS 54 HA LYS 54 8.486 9.978 0.902 402 HB2 LYS 54 HB2 LYS 54 8.274 12.373 2.633 403 HB3 LYS 54 HB3 LYS 54 9.113 11.009 3.343 404 HG2 LYS 54 HG2 LYS 54 10.923 11.295 1.993 405 HG3 LYS 54 HG3 LYS 54 9.929 11.382 0.553 406 HD2 LYS 54 HD2 LYS 54 10.770 13.546 0.550 407 HD3 LYS 54 HD3 LYS 54 9.322 13.811 1.501 408 HE2 LYS 54 HE2 LYS 54 10.502 14.213 3.430 409 HE3 LYS 54 HE3 LYS 54 11.644 12.920 3.122 410 HZ1 LYS 54 HZ1 LYS 54 12.373 14.580 1.251 411 HZ2 LYS 54 HZ2 LYS 54 11.754 15.681 2.286 412 HZ3 LYS 54 HZ3 LYS 54 12.959 14.691 2.771 413 H VAL 55 H VAL 55 5.779 10.788 3.133 414 HA VAL 55 HA VAL 55 6.015 8.877 5.010 415 HB VAL 55 HB VAL 55 3.521 8.858 5.048 416 HG11 VAL 55 HG11 VAL 55 3.338 11.414 5.347 417 HG12 VAL 55 HG12 VAL 55 4.515 10.536 6.353 418 HG13 VAL 55 HG13 VAL 55 5.068 11.449 4.929 419 HG21 VAL 55 HG21 VAL 55 2.762 9.014 2.862 420 HG22 VAL 55 HG22 VAL 55 2.516 10.675 3.451 421 HG23 VAL 55 HG23 VAL 55 3.925 10.291 2.434 422 H SER 56 H SER 56 4.517 8.435 1.732 423 HA SER 56 HA SER 56 3.797 5.851 1.973 424 HB2 SER 56 HB2 SER 56 4.775 7.526 -0.335 425 HB3 SER 56 HB3 SER 56 4.536 5.811 -0.603 426 HG SER 56 HG SER 56 2.511 7.516 0.564 427 H LEU 57 H LEU 57 7.041 7.167 1.030 428 HA LEU 57 HA LEU 57 8.262 4.723 0.541 429 HB2 LEU 57 HB2 LEU 57 8.980 7.214 0.150 430 HB3 LEU 57 HB3 LEU 57 9.746 7.042 1.717 431 HG LEU 57 HG LEU 57 10.424 4.786 0.037 432 HD11 LEU 57 HD11 LEU 57 11.873 6.182 -1.551 433 HD12 LEU 57 HD12 LEU 57 10.135 6.049 -1.912 434 HD13 LEU 57 HD13 LEU 57 10.777 7.530 -1.162 435 HD21 LEU 57 HD21 LEU 57 11.843 6.910 1.601 436 HD22 LEU 57 HD22 LEU 57 11.863 5.141 1.792 437 HD23 LEU 57 HD23 LEU 57 12.762 5.902 0.458 438 H PHE 58 H PHE 58 7.630 6.515 3.577 439 HA PHE 58 HA PHE 58 9.260 4.806 5.153 440 HB2 PHE 58 HB2 PHE 58 8.389 7.246 5.553 441 HB3 PHE 58 HB3 PHE 58 6.839 6.526 5.943 442 HD1 PHE 58 HD1 PHE 58 10.432 6.316 6.924 443 HD2 PHE 58 HD2 PHE 58 6.382 5.975 8.143 444 HE1 PHE 58 HE1 PHE 58 11.174 6.006 9.302 445 HE2 PHE 58 HE2 PHE 58 7.124 5.664 10.521 446 HZ PHE 58 HZ PHE 58 9.511 5.683 11.072 447 H THR 59 H THR 59 6.021 4.619 3.817 448 HA THR 59 HA THR 59 5.025 2.799 5.800 449 HB THR 59 HB THR 59 4.069 3.728 3.044 450 HG1 THR 59 HG1 THR 59 3.194 4.147 5.813 451 HG21 THR 59 HG21 THR 59 2.817 1.730 3.323 452 HG22 THR 59 HG22 THR 59 2.867 1.840 5.099 453 HG23 THR 59 HG23 THR 59 1.804 2.924 4.169 454 H ALA 60 H ALA 60 6.388 2.538 2.472 455 HA ALA 60 HA ALA 60 6.006 -0.259 2.344 456 HB1 ALA 60 HB1 ALA 60 8.200 0.985 0.773 457 HB2 ALA 60 HB2 ALA 60 6.822 -0.004 0.232 458 HB3 ALA 60 HB3 ALA 60 6.596 1.729 0.569 459 H PHE 61 H PHE 61 8.823 1.869 3.165 460 HA PHE 61 HA PHE 61 10.646 -0.185 3.557 461 HB2 PHE 61 HB2 PHE 61 10.733 2.503 3.496 462 HB3 PHE 61 HB3 PHE 61 10.499 2.369 5.228 463 HD1 PHE 61 HD2 PHE 61 12.171 0.729 6.449 464 HD2 PHE 61 HD1 PHE 61 12.892 2.515 2.667 465 HE1 PHE 61 HE2 PHE 61 14.638 0.385 6.756 466 HE2 PHE 61 HE1 PHE 61 15.359 2.171 2.975 467 HZ PHE 61 HZ PHE 61 16.203 1.110 5.016 468 H PHE 62 H PHE 62 8.557 1.569 5.960 469 HA PHE 62 HA PHE 62 9.427 0.073 8.153 470 HB2 PHE 62 HB2 PHE 62 8.180 2.294 8.126 471 HB3 PHE 62 HB3 PHE 62 6.758 1.471 7.518 472 HD1 PHE 62 HD1 PHE 62 9.157 1.001 10.352 473 HD2 PHE 62 HD2 PHE 62 5.111 1.125 9.078 474 HE1 PHE 62 HE1 PHE 62 8.402 0.566 12.706 475 HE2 PHE 62 HE2 PHE 62 4.357 0.690 11.432 476 HZ PHE 62 HZ PHE 62 6.011 0.416 13.218 477 H LEU 63 H LEU 63 6.800 -0.417 5.752 478 HA LEU 63 HA LEU 63 5.431 -2.416 7.112 479 HB2 LEU 63 HB2 LEU 63 4.461 -1.297 5.252 480 HB3 LEU 63 HB3 LEU 63 5.762 -1.785 4.184 481 HG LEU 63 HG LEU 63 4.933 -4.223 4.793 482 HD11 LEU 63 HD11 LEU 63 3.262 -3.200 6.457 483 HD12 LEU 63 HD12 LEU 63 2.303 -2.768 5.020 484 HD13 LEU 63 HD13 LEU 63 2.681 -4.474 5.359 485 HD21 LEU 63 HD21 LEU 63 3.735 -2.296 2.805 486 HD22 LEU 63 HD22 LEU 63 4.965 -3.557 2.547 487 HD23 LEU 63 HD23 LEU 63 3.272 -4.015 2.854 488 H ALA 64 H ALA 64 7.651 -2.949 4.286 489 HA ALA 64 HA ALA 64 7.956 -5.623 4.562 490 HB1 ALA 64 HB1 ALA 64 10.252 -5.198 3.516 491 HB2 ALA 64 HB2 ALA 64 8.860 -4.485 2.667 492 HB3 ALA 64 HB3 ALA 64 9.900 -3.462 3.686 493 H THR 65 H THR 65 9.785 -3.018 6.281 494 HA THR 65 HA THR 65 11.614 -4.593 7.601 495 HB THR 65 HB THR 65 10.149 -2.008 8.306 496 HG1 THR 65 HG1 THR 65 11.656 -1.885 6.567 497 HG21 THR 65 HG21 THR 65 12.763 -2.383 9.571 498 HG22 THR 65 HG22 THR 65 11.227 -1.884 10.319 499 HG23 THR 65 HG23 THR 65 11.612 -3.613 10.147 500 H ILE 66 H ILE 66 8.218 -3.830 8.567 501 HA ILE 66 HA ILE 66 8.400 -5.280 10.979 502 HB ILE 66 HB ILE 66 6.704 -3.462 9.990 503 HG12 ILE 66 HG12 ILE 66 5.746 -5.476 12.026 504 HG13 ILE 66 HG13 ILE 66 7.078 -4.390 12.366 505 HG21 ILE 66 HG21 ILE 66 4.851 -5.788 9.966 506 HG22 ILE 66 HG22 ILE 66 4.768 -4.236 9.098 507 HG23 ILE 66 HG23 ILE 66 5.850 -5.525 8.516 508 HD11 ILE 66 HD11 ILE 66 5.123 -3.265 13.166 509 HD12 ILE 66 HD12 ILE 66 5.522 -2.464 11.627 510 HD13 ILE 66 HD13 ILE 66 4.203 -3.657 11.693 511 H MET 67 H MET 67 7.810 -6.138 7.596 512 HA MET 67 HA MET 67 6.499 -8.524 7.992 513 HB2 MET 67 HB2 MET 67 7.406 -7.060 5.837 514 HB3 MET 67 HB3 MET 67 8.571 -8.370 5.813 515 HG2 MET 67 HG2 MET 67 7.017 -9.908 5.113 516 HG3 MET 67 HG3 MET 67 5.786 -9.309 6.206 517 HE1 MET 67 HE1 MET 67 3.783 -8.269 5.456 518 HE2 MET 67 HE2 MET 67 4.662 -6.743 5.713 519 HE3 MET 67 HE3 MET 67 3.683 -6.969 4.244 520 H GLY 68 H GLY 68 10.044 -7.801 7.819 521 HA2 GLY 68 HA2 GLY 68 11.077 -9.366 9.657 522 HA3 GLY 68 HA3 GLY 68 10.658 -10.586 8.471 523 H VAL 69 H VAL 69 11.479 -10.226 6.163 524 HA VAL 69 HA VAL 69 14.180 -9.107 6.344 525 HB VAL 69 HB VAL 69 13.929 -11.510 5.847 526 HG11 VAL 69 HG11 VAL 69 12.434 -10.492 3.414 527 HG12 VAL 69 HG12 VAL 69 13.113 -12.132 3.537 528 HG13 VAL 69 HG13 VAL 69 11.849 -11.604 4.674 529 HG21 VAL 69 HG21 VAL 69 15.737 -11.504 4.477 530 HG22 VAL 69 HG22 VAL 69 14.960 -10.446 3.274 531 HG23 VAL 69 HG23 VAL 69 15.668 -9.746 4.750 532 H ARG 70 H ARG 70 14.934 -7.611 4.799 533 HA ARG 70 HA ARG 70 13.212 -5.734 3.974 534 HB2 ARG 70 HB2 ARG 70 15.968 -6.578 3.136 535 HB3 ARG 70 HB3 ARG 70 15.146 -5.483 2.043 536 HG2 ARG 70 HG2 ARG 70 14.652 -4.428 4.630 537 HG3 ARG 70 HG3 ARG 70 16.330 -4.932 4.666 538 HD2 ARG 70 HD2 ARG 70 15.460 -3.464 2.199 539 HD3 ARG 70 HD3 ARG 70 15.507 -2.520 3.674 540 HE ARG 70 HE ARG 70 17.918 -4.100 3.406 541 HH11 ARG 70 HH22 ARG 70 16.342 -1.195 2.196 542 HH12 ARG 70 HH21 ARG 70 17.828 -0.407 1.783 543 HH21 ARG 70 HH12 ARG 70 19.879 -3.061 2.861 544 HH22 ARG 70 HH11 ARG 70 19.853 -1.475 2.164 545 H PHE 71 H PHE 71 14.634 -8.367 1.890 546 HA PHE 71 HA PHE 71 12.163 -8.358 0.352 547 HB2 PHE 71 HB2 PHE 71 13.500 -8.218 -1.749 548 HB3 PHE 71 HB3 PHE 71 13.848 -6.817 -0.754 549 HD1 PHE 71 HD1 PHE 71 15.915 -7.116 0.878 550 HD2 PHE 71 HD2 PHE 71 15.274 -9.395 -2.644 551 HE1 PHE 71 HE1 PHE 71 18.365 -7.654 0.780 552 HE2 PHE 71 HE2 PHE 71 17.724 -9.932 -2.743 553 HZ PHE 71 HZ PHE 71 19.240 -9.055 -1.030 554 H LYS 72 H LYS 72 11.510 -10.436 0.783 555 HA LYS 72 HA LYS 72 13.045 -12.552 1.475 556 HB2 LYS 72 HB2 LYS 72 10.353 -12.085 0.695 557 HB3 LYS 72 HB3 LYS 72 10.908 -13.474 -0.217 558 HG2 LYS 72 HG2 LYS 72 11.705 -13.433 2.667 559 HG3 LYS 72 HG3 LYS 72 9.988 -13.611 2.364 560 HD2 LYS 72 HD2 LYS 72 10.559 -15.502 0.736 561 HD3 LYS 72 HD3 LYS 72 12.221 -15.387 1.279 562 HE2 LYS 72 HE2 LYS 72 11.776 -16.505 3.218 563 HE3 LYS 72 HE3 LYS 72 10.363 -15.526 3.556 564 HZ1 LYS 72 HZ1 LYS 72 9.767 -17.151 1.398 565 HZ2 LYS 72 HZ2 LYS 72 10.450 -18.103 2.536 566 HZ3 LYS 72 HZ3 LYS 72 9.134 -17.209 2.902 567 H ARG 73 H ARG 73 13.625 -14.562 0.206 568 HA ARG 73 HA ARG 73 14.808 -13.673 -2.291 569 HB2 ARG 73 HB2 ARG 73 15.880 -15.069 -0.066 570 HB3 ARG 73 HB3 ARG 73 15.725 -16.291 -1.312 571 HG2 ARG 73 HG2 ARG 73 16.791 -13.794 -2.425 572 HG3 ARG 73 HG3 ARG 73 17.772 -14.347 -1.082 573 HD2 ARG 73 HD2 ARG 73 18.759 -15.554 -2.818 574 HD3 ARG 73 HD3 ARG 73 17.561 -16.719 -2.291 575 HE ARG 73 HE ARG 73 16.233 -15.149 -4.192 576 HH11 ARG 73 HH22 ARG 73 19.118 -17.163 -4.154 577 HH12 ARG 73 HH21 ARG 73 19.001 -17.585 -5.830 578 HH21 ARG 73 HH12 ARG 73 16.078 -15.706 -6.403 579 HH22 ARG 73 HH11 ARG 73 17.260 -16.751 -7.117 580 H SER 74 H SER 74 13.051 -14.070 -3.737 581 HA SER 74 HA SER 74 12.400 -16.899 -3.986 582 HB2 SER 74 HB2 SER 74 10.604 -14.802 -3.304 583 HB3 SER 74 HB3 SER 74 10.260 -15.185 -4.979 584 HG SER 74 HG SER 74 9.848 -17.352 -4.427 585 H LYS 75 H LYS 75 11.464 -13.925 -5.844 586 HA LYS 75 HA LYS 75 13.324 -14.535 -7.936 587 HB2 LYS 75 HB2 LYS 75 10.859 -15.861 -8.038 588 HB3 LYS 75 HB3 LYS 75 10.673 -14.510 -9.137 589 HG2 LYS 75 HG2 LYS 75 12.983 -15.179 -10.113 590 HG3 LYS 75 HG3 LYS 75 12.824 -16.666 -9.199 591 HD2 LYS 75 HD2 LYS 75 10.510 -16.944 -10.345 592 HD3 LYS 75 HD3 LYS 75 11.004 -15.653 -11.422 593 HE2 LYS 75 HE2 LYS 75 12.879 -17.991 -11.007 594 HE3 LYS 75 HE3 LYS 75 11.482 -18.207 -12.043 595 HZ1 LYS 75 HZ1 LYS 75 13.394 -16.002 -12.363 596 HZ2 LYS 75 HZ2 LYS 75 13.492 -17.411 -13.184 597 HZ3 LYS 75 HZ3 LYS 75 12.205 -16.430 -13.397 598 H LYS 76 H LYS 76 13.991 -12.394 -7.200 599 HA LYS 76 HA LYS 76 14.107 -10.206 -7.480 600 HB2 LYS 76 HB2 LYS 76 11.917 -10.639 -9.532 601 HB3 LYS 76 HB3 LYS 76 12.755 -9.120 -9.285 602 HG2 LYS 76 HG2 LYS 76 14.927 -10.713 -9.534 603 HG3 LYS 76 HG3 LYS 76 13.795 -11.701 -10.436 604 HD2 LYS 76 HD2 LYS 76 14.275 -10.366 -12.217 605 HD3 LYS 76 HD3 LYS 76 13.262 -9.163 -11.444 606 HE2 LYS 76 HE2 LYS 76 16.235 -9.431 -10.815 607 HE3 LYS 76 HE3 LYS 76 15.641 -8.410 -12.109 608 HZ1 LYS 76 HZ1 LYS 76 15.249 -6.886 -10.592 609 HZ2 LYS 76 HZ2 LYS 76 14.130 -7.839 -9.880 610 HZ3 LYS 76 HZ3 LYS 76 15.682 -7.883 -9.373 611 H ILE 77 H ILE 77 13.130 -10.765 -5.155 612 HA ILE 77 HA ILE 77 11.921 -9.980 -3.482 613 HB ILE 77 HB ILE 77 10.971 -7.942 -5.498 614 HG12 ILE 77 HG12 ILE 77 12.641 -6.588 -3.897 615 HG13 ILE 77 HG13 ILE 77 13.375 -8.172 -3.745 616 HG21 ILE 77 HG21 ILE 77 10.216 -6.611 -3.637 617 HG22 ILE 77 HG22 ILE 77 9.423 -8.203 -3.576 618 HG23 ILE 77 HG23 ILE 77 10.774 -7.839 -2.476 619 HD11 ILE 77 HD11 ILE 77 14.182 -8.131 -5.877 620 HD12 ILE 77 HD12 ILE 77 12.649 -7.512 -6.535 621 HD13 ILE 77 HD13 ILE 77 13.831 -6.387 -5.824 622 H MET 78 H MET 78 10.675 -11.791 -3.077 623 HA MET 78 HA MET 78 8.752 -12.846 -4.611 624 HB2 MET 78 HB2 MET 78 9.710 -13.177 -2.006 625 HB3 MET 78 HB3 MET 78 8.044 -12.722 -1.710 626 HG2 MET 78 HG2 MET 78 8.458 -14.765 -3.861 627 HG3 MET 78 HG3 MET 78 8.845 -15.292 -2.235 628 HE1 MET 78 HE1 MET 78 5.593 -16.410 -3.895 629 HE2 MET 78 HE2 MET 78 5.162 -14.760 -4.407 630 HE3 MET 78 HE3 MET 78 6.791 -15.397 -4.735 631 HA PRO 79 HA PRO 79 5.580 -9.863 -2.714 632 HB2 PRO 79 HB2 PRO 79 6.444 -7.678 -1.318 633 HB3 PRO 79 HB3 PRO 79 5.953 -9.174 -0.549 634 HG2 PRO 79 HG2 PRO 79 8.680 -8.107 -0.957 635 HG3 PRO 79 HG3 PRO 79 8.142 -9.351 0.155 636 HD2 PRO 79 HD2 PRO 79 9.535 -9.748 -2.321 637 HD3 PRO 79 HD3 PRO 79 8.896 -10.993 -1.266 638 H ALA 80 H ALA 80 6.455 -9.887 -5.186 639 HA ALA 80 HA ALA 80 7.306 -7.342 -6.068 640 HB1 ALA 80 HB1 ALA 80 7.847 -8.983 -7.586 641 HB2 ALA 80 HB2 ALA 80 6.367 -9.918 -7.267 642 HB3 ALA 80 HB3 ALA 80 6.297 -8.465 -8.292 643 H GLY 81 H GLY 81 4.115 -9.065 -6.394 644 HA2 GLY 81 HA2 GLY 81 2.569 -7.200 -7.524 645 HA3 GLY 81 HA3 GLY 81 2.016 -8.221 -6.211 646 H LEU 82 H LEU 82 3.222 -7.340 -3.942 647 HA LEU 82 HA LEU 82 1.802 -5.126 -3.220 648 HB2 LEU 82 HB2 LEU 82 2.996 -6.855 -1.799 649 HB3 LEU 82 HB3 LEU 82 4.456 -5.913 -2.027 650 HG LEU 82 HG LEU 82 2.551 -4.048 -1.162 651 HD11 LEU 82 HD11 LEU 82 1.456 -4.914 0.727 652 HD12 LEU 82 HD12 LEU 82 1.180 -6.115 -0.557 653 HD13 LEU 82 HD13 LEU 82 2.404 -6.420 0.698 654 HD21 LEU 82 HD21 LEU 82 3.968 -3.803 0.740 655 HD22 LEU 82 HD22 LEU 82 4.603 -5.456 0.561 656 HD23 LEU 82 HD23 LEU 82 5.003 -4.212 -0.649 657 H VAL 83 H VAL 83 5.247 -5.287 -4.334 658 HA VAL 83 HA VAL 83 5.756 -2.568 -4.104 659 HB VAL 83 HB VAL 83 6.867 -4.769 -5.833 660 HG11 VAL 83 HG11 VAL 83 7.840 -1.898 -5.649 661 HG12 VAL 83 HG12 VAL 83 8.747 -3.241 -6.385 662 HG13 VAL 83 HG13 VAL 83 7.199 -2.719 -7.092 663 HG21 VAL 83 HG21 VAL 83 8.482 -5.030 -4.232 664 HG22 VAL 83 HG22 VAL 83 8.432 -3.320 -3.739 665 HG23 VAL 83 HG23 VAL 83 7.156 -4.440 -3.201 666 H ALA 84 H ALA 84 4.125 -4.493 -6.640 667 HA ALA 84 HA ALA 84 4.112 -2.447 -8.579 668 HB1 ALA 84 HB1 ALA 84 2.877 -3.957 -9.828 669 HB2 ALA 84 HB2 ALA 84 3.643 -5.064 -8.663 670 HB3 ALA 84 HB3 ALA 84 1.960 -4.539 -8.418 671 H GLY 85 H GLY 85 2.153 -3.187 -5.715 672 HA2 GLY 85 HA2 GLY 85 -0.092 -1.585 -6.432 673 HA3 GLY 85 HA3 GLY 85 0.313 -2.210 -4.846 674 H LEU 86 H LEU 86 2.593 -1.102 -4.015 675 HA LEU 86 HA LEU 86 1.929 1.479 -3.340 676 HB2 LEU 86 HB2 LEU 86 4.631 0.131 -3.430 677 HB3 LEU 86 HB3 LEU 86 4.310 1.662 -2.640 678 HG LEU 86 HG LEU 86 2.700 -0.753 -1.870 679 HD11 LEU 86 HD11 LEU 86 4.855 -0.547 -0.050 680 HD12 LEU 86 HD12 LEU 86 4.453 -1.896 -1.139 681 HD13 LEU 86 HD13 LEU 86 5.560 -0.613 -1.683 682 HD21 LEU 86 HD21 LEU 86 2.082 1.482 -1.023 683 HD22 LEU 86 HD22 LEU 86 2.563 0.363 0.275 684 HD23 LEU 86 HD23 LEU 86 3.691 1.625 -0.274 685 H SER 87 H SER 87 3.922 0.241 -6.071 686 HA SER 87 HA SER 87 4.850 2.701 -6.901 687 HB2 SER 87 HB2 SER 87 5.417 0.226 -7.652 688 HB3 SER 87 HB3 SER 87 4.181 0.496 -8.864 689 HG SER 87 HG SER 87 5.566 2.656 -9.129 690 H LEU 88 H LEU 88 1.980 0.763 -8.018 691 HA LEU 88 HA LEU 88 1.043 2.512 -9.909 692 HB2 LEU 88 HB2 LEU 88 0.208 0.154 -8.656 693 HB3 LEU 88 HB3 LEU 88 -1.102 1.288 -8.393 694 HG LEU 88 HG LEU 88 -0.146 1.348 -11.153 695 HD11 LEU 88 HD11 LEU 88 0.404 -0.978 -10.787 696 HD12 LEU 88 HD12 LEU 88 -1.200 -1.280 -10.076 697 HD13 LEU 88 HD13 LEU 88 -1.055 -0.858 -11.799 698 HD21 LEU 88 HD21 LEU 88 -2.478 1.901 -9.743 699 HD22 LEU 88 HD22 LEU 88 -2.263 1.929 -11.509 700 HD23 LEU 88 HD23 LEU 88 -2.880 0.463 -10.711 701 H MET 89 H MET 89 0.582 2.539 -6.336 702 HA MET 89 HA MET 89 -1.294 4.547 -6.266 703 HB2 MET 89 HB2 MET 89 0.126 2.977 -4.442 704 HB3 MET 89 HB3 MET 89 0.770 4.572 -4.103 705 HG2 MET 89 HG2 MET 89 -1.085 4.962 -2.847 706 HG3 MET 89 HG3 MET 89 -2.008 5.008 -4.335 707 HE1 MET 89 HE1 MET 89 -3.756 4.644 -2.893 708 HE2 MET 89 HE2 MET 89 -4.558 3.127 -3.368 709 HE3 MET 89 HE3 MET 89 -3.947 3.329 -1.709 710 H MET 90 H MET 90 2.323 4.770 -5.965 711 HA MET 90 HA MET 90 2.502 7.452 -5.615 712 HB2 MET 90 HB2 MET 90 4.339 5.614 -5.642 713 HB3 MET 90 HB3 MET 90 4.370 5.788 -7.386 714 HG2 MET 90 HG2 MET 90 4.552 8.377 -5.941 715 HG3 MET 90 HG3 MET 90 5.884 7.292 -5.597 716 HE1 MET 90 HE1 MET 90 7.766 6.769 -7.114 717 HE2 MET 90 HE2 MET 90 8.159 7.953 -8.384 718 HE3 MET 90 HE3 MET 90 7.808 8.506 -6.729 719 H ILE 91 H ILE 91 2.630 5.665 -8.784 720 HA ILE 91 HA ILE 91 2.873 7.842 -10.427 721 HB ILE 91 HB ILE 91 1.412 5.237 -10.868 722 HG12 ILE 91 HG12 ILE 91 3.713 4.871 -10.251 723 HG13 ILE 91 HG13 ILE 91 3.516 4.549 -11.962 724 HG21 ILE 91 HG21 ILE 91 2.524 6.402 -13.256 725 HG22 ILE 91 HG22 ILE 91 0.856 5.885 -12.914 726 HG23 ILE 91 HG23 ILE 91 1.381 7.534 -12.494 727 HD11 ILE 91 HD11 ILE 91 5.256 5.967 -12.302 728 HD12 ILE 91 HD12 ILE 91 4.136 7.287 -11.887 729 HD13 ILE 91 HD13 ILE 91 5.174 6.573 -10.630 730 H LEU 92 H LEU 92 -0.203 6.239 -9.340 731 HA LEU 92 HA LEU 92 -1.916 8.016 -10.573 732 HB2 LEU 92 HB2 LEU 92 -2.081 5.798 -8.887 733 HB3 LEU 92 HB3 LEU 92 -2.895 7.077 -8.008 734 HG LEU 92 HG LEU 92 -3.973 7.369 -10.518 735 HD11 LEU 92 HD11 LEU 92 -3.290 5.533 -11.666 736 HD12 LEU 92 HD12 LEU 92 -3.072 4.550 -10.198 737 HD13 LEU 92 HD13 LEU 92 -4.705 4.824 -10.852 738 HD21 LEU 92 HD21 LEU 92 -5.680 7.393 -9.094 739 HD22 LEU 92 HD22 LEU 92 -5.708 5.617 -9.220 740 HD23 LEU 92 HD23 LEU 92 -4.799 6.402 -7.907 741 H ARG 93 H ARG 93 0.063 8.345 -7.654 742 HA ARG 93 HA ARG 93 -1.385 10.507 -6.619 743 HB2 ARG 93 HB2 ARG 93 0.359 8.940 -5.452 744 HB3 ARG 93 HB3 ARG 93 1.581 9.988 -6.143 745 HG2 ARG 93 HG2 ARG 93 -0.671 11.360 -4.715 746 HG3 ARG 93 HG3 ARG 93 0.423 10.432 -3.709 747 HD2 ARG 93 HD2 ARG 93 2.307 11.756 -4.298 748 HD3 ARG 93 HD3 ARG 93 1.562 12.341 -5.773 749 HE ARG 93 HE ARG 93 0.110 13.132 -3.352 750 HH11 ARG 93 HH22 ARG 93 2.715 13.979 -5.561 751 HH12 ARG 93 HH21 ARG 93 2.679 15.664 -5.160 752 HH21 ARG 93 HH12 ARG 93 0.063 15.355 -2.822 753 HH22 ARG 93 HH11 ARG 93 1.161 16.452 -3.591 754 H LEU 94 H LEU 94 1.315 10.116 -8.932 755 HA LEU 94 HA LEU 94 2.233 12.742 -8.944 756 HB2 LEU 94 HB2 LEU 94 3.062 10.476 -10.040 757 HB3 LEU 94 HB3 LEU 94 2.213 11.106 -11.438 758 HG LEU 94 HG LEU 94 4.547 11.679 -11.582 759 HD11 LEU 94 HD11 LEU 94 3.510 14.353 -10.846 760 HD12 LEU 94 HD12 LEU 94 4.227 13.769 -12.367 761 HD13 LEU 94 HD13 LEU 94 2.522 13.418 -11.995 762 HD21 LEU 94 HD21 LEU 94 4.666 13.538 -9.316 763 HD22 LEU 94 HD22 LEU 94 4.511 11.830 -8.840 764 HD23 LEU 94 HD23 LEU 94 5.852 12.342 -9.892 765 H VAL 95 H VAL 95 -0.348 11.108 -10.885 766 HA VAL 95 HA VAL 95 -0.974 13.479 -12.314 767 HB VAL 95 HB VAL 95 -2.351 10.824 -11.912 768 HG11 VAL 95 HG11 VAL 95 -3.566 13.242 -12.758 769 HG12 VAL 95 HG12 VAL 95 -3.333 12.245 -14.214 770 HG13 VAL 95 HG13 VAL 95 -4.234 11.594 -12.824 771 HG21 VAL 95 HG21 VAL 95 -0.383 11.929 -13.816 772 HG22 VAL 95 HG22 VAL 95 -0.711 10.244 -13.348 773 HG23 VAL 95 HG23 VAL 95 -1.733 11.044 -14.566 774 H LEU 96 H LEU 96 -2.379 11.750 -9.463 775 HA LEU 96 HA LEU 96 -4.616 13.186 -9.038 776 HB2 LEU 96 HB2 LEU 96 -2.842 11.541 -7.510 777 HB3 LEU 96 HB3 LEU 96 -3.345 12.895 -6.518 778 HG LEU 96 HG LEU 96 -5.662 11.868 -7.851 779 HD11 LEU 96 HD11 LEU 96 -3.722 9.808 -7.027 780 HD12 LEU 96 HD12 LEU 96 -5.366 9.596 -6.376 781 HD13 LEU 96 HD13 LEU 96 -5.112 9.711 -8.134 782 HD21 LEU 96 HD21 LEU 96 -6.379 11.424 -5.492 783 HD22 LEU 96 HD22 LEU 96 -4.751 11.914 -4.965 784 HD23 LEU 96 HD23 LEU 96 -5.805 13.081 -5.800 785 H LEU 97 H LEU 97 -1.262 14.290 -8.757 786 HA LEU 97 HA LEU 97 -1.400 16.415 -7.126 787 HB2 LEU 97 HB2 LEU 97 0.591 15.682 -8.312 788 HB3 LEU 97 HB3 LEU 97 -0.065 16.260 -9.831 789 HG LEU 97 HG LEU 97 0.188 18.251 -7.626 790 HD11 LEU 97 HD11 LEU 97 2.281 17.147 -7.325 791 HD12 LEU 97 HD12 LEU 97 2.565 17.071 -9.081 792 HD13 LEU 97 HD13 LEU 97 2.587 18.641 -8.242 793 HD21 LEU 97 HD21 LEU 97 -0.479 18.362 -10.294 794 HD22 LEU 97 HD22 LEU 97 0.027 19.738 -9.284 795 HD23 LEU 97 HD23 LEU 97 1.222 18.887 -10.291 796 H LEU 98 H LEU 98 -2.717 16.196 -10.470 797 HA LEU 98 HA LEU 98 -3.523 18.914 -10.525 798 HB2 LEU 98 HB2 LEU 98 -3.400 16.694 -12.294 799 HB3 LEU 98 HB3 LEU 98 -5.052 17.278 -12.301 800 HG LEU 98 HG LEU 98 -3.178 19.491 -12.480 801 HD11 LEU 98 HD11 LEU 98 -1.780 17.661 -13.508 802 HD12 LEU 98 HD12 LEU 98 -3.024 17.526 -14.774 803 HD13 LEU 98 HD13 LEU 98 -2.130 19.050 -14.565 804 HD21 LEU 98 HD21 LEU 98 -4.855 18.927 -14.807 805 HD22 LEU 98 HD22 LEU 98 -5.756 18.902 -13.272 806 HD23 LEU 98 HD23 LEU 98 -4.816 20.344 -13.730 807 H LEU 99 H LEU 99 -5.137 15.780 -9.749 808 HA LEU 99 HA LEU 99 -7.708 16.573 -9.528 809 HB2 LEU 99 HB2 LEU 99 -6.020 14.486 -8.426 810 HB3 LEU 99 HB3 LEU 99 -7.285 14.942 -7.302 811 HG LEU 99 HG LEU 99 -7.898 13.044 -8.764 812 HD11 LEU 99 HD11 LEU 99 -9.610 15.497 -9.248 813 HD12 LEU 99 HD12 LEU 99 -10.131 13.796 -9.301 814 HD13 LEU 99 HD13 LEU 99 -9.611 14.520 -7.760 815 HD21 LEU 99 HD21 LEU 99 -8.608 14.219 -11.181 816 HD22 LEU 99 HD22 LEU 99 -6.983 14.861 -10.845 817 HD23 LEU 99 HD23 LEU 99 -7.252 13.102 -10.893 Start of MODEL 9 1 H MET 1 H1 MET 1 -26.893 -20.139 -17.042 2 HA MET 1 HA MET 1 -28.960 -21.739 -16.402 3 HB2 MET 1 HB2 MET 1 -29.452 -19.021 -15.504 4 HB3 MET 1 HB3 MET 1 -30.550 -19.349 -16.829 5 HG2 MET 1 HG2 MET 1 -31.159 -21.548 -15.630 6 HG3 MET 1 HG3 MET 1 -30.249 -20.959 -14.253 7 HE1 MET 1 HE1 MET 1 -34.053 -19.118 -16.038 8 HE2 MET 1 HE2 MET 1 -32.494 -18.592 -16.716 9 HE3 MET 1 HE3 MET 1 -32.961 -20.308 -16.785 10 H ASP 2 H ASP 2 -28.469 -18.634 -18.233 11 HA ASP 2 HA ASP 2 -28.166 -19.934 -20.651 12 HB2 ASP 2 HB2 ASP 2 -30.957 -19.266 -19.864 13 HB3 ASP 2 HB3 ASP 2 -30.500 -18.648 -21.439 14 H LEU 3 H LEU 3 -27.927 -18.275 -22.441 15 HA LEU 3 HA LEU 3 -27.280 -16.318 -23.228 16 HB2 LEU 3 HB2 LEU 3 -29.550 -15.707 -21.528 17 HB3 LEU 3 HB3 LEU 3 -28.432 -14.359 -21.606 18 HG LEU 3 HG LEU 3 -28.572 -14.935 -24.234 19 HD11 LEU 3 HD11 LEU 3 -30.080 -16.752 -24.165 20 HD12 LEU 3 HD12 LEU 3 -31.177 -15.904 -23.049 21 HD13 LEU 3 HD13 LEU 3 -31.024 -15.354 -24.735 22 HD21 LEU 3 HD21 LEU 3 -29.554 -12.915 -24.412 23 HD22 LEU 3 HD22 LEU 3 -30.867 -13.327 -23.284 24 HD23 LEU 3 HD23 LEU 3 -29.270 -12.855 -22.656 25 H ILE 4 H ILE 4 -25.338 -15.293 -23.070 26 HA ILE 4 HA ILE 4 -24.359 -14.736 -20.368 27 HB ILE 4 HB ILE 4 -22.900 -16.231 -22.545 28 HG12 ILE 4 HG12 ILE 4 -22.966 -17.304 -19.808 29 HG13 ILE 4 HG13 ILE 4 -24.549 -17.187 -20.550 30 HG21 ILE 4 HG21 ILE 4 -21.469 -15.919 -20.030 31 HG22 ILE 4 HG22 ILE 4 -20.924 -15.650 -21.703 32 HG23 ILE 4 HG23 ILE 4 -21.778 -14.358 -20.826 33 HD11 ILE 4 HD11 ILE 4 -22.520 -18.215 -22.426 34 HD12 ILE 4 HD12 ILE 4 -22.700 -19.232 -20.977 35 HD13 ILE 4 HD13 ILE 4 -24.114 -18.884 -22.001 36 H GLY 5 H GLY 5 -24.637 -12.519 -20.504 37 HA2 GLY 5 HA2 GLY 5 -23.357 -11.187 -22.811 38 HA3 GLY 5 HA3 GLY 5 -24.680 -10.538 -21.862 39 H PHE 6 H PHE 6 -21.255 -10.705 -22.236 40 HA PHE 6 HA PHE 6 -20.268 -10.430 -19.715 41 HB2 PHE 6 HB2 PHE 6 -19.648 -9.266 -22.466 42 HB3 PHE 6 HB3 PHE 6 -18.672 -8.746 -21.107 43 HD1 PHE 6 HD2 PHE 6 -19.597 -11.622 -23.200 44 HD2 PHE 6 HD1 PHE 6 -17.059 -10.215 -20.104 45 HE1 PHE 6 HE2 PHE 6 -18.155 -13.661 -23.455 46 HE2 PHE 6 HE1 PHE 6 -15.617 -12.254 -20.359 47 HZ PHE 6 HZ PHE 6 -16.183 -13.953 -22.031 48 H GLY 7 H GLY 7 -21.436 -7.766 -21.898 49 HA2 GLY 7 HA2 GLY 7 -20.971 -5.547 -20.503 50 HA3 GLY 7 HA3 GLY 7 -22.493 -5.836 -21.322 51 H TYR 8 H TYR 8 -23.934 -7.587 -19.917 52 HA TYR 8 HA TYR 8 -24.940 -6.223 -17.793 53 HB2 TYR 8 HB2 TYR 8 -26.000 -8.171 -18.925 54 HB3 TYR 8 HB3 TYR 8 -24.676 -9.217 -18.453 55 HD1 TYR 8 HD1 TYR 8 -24.421 -9.899 -16.048 56 HD2 TYR 8 HD2 TYR 8 -27.846 -7.754 -17.452 57 HE1 TYR 8 HE1 TYR 8 -25.710 -10.577 -13.963 58 HE2 TYR 8 HE2 TYR 8 -29.123 -8.439 -15.363 59 HH TYR 8 HH TYR 8 -29.131 -9.795 -13.626 60 H ALA 9 H ALA 9 -22.462 -8.871 -17.711 61 HA ALA 9 HA ALA 9 -22.229 -9.030 -14.962 62 HB1 ALA 9 HB1 ALA 9 -20.411 -10.385 -15.420 63 HB2 ALA 9 HB2 ALA 9 -21.206 -10.392 -17.012 64 HB3 ALA 9 HB3 ALA 9 -19.811 -9.326 -16.719 65 H ALA 10 H ALA 10 -20.787 -6.752 -17.332 66 HA ALA 10 HA ALA 10 -19.012 -5.573 -15.466 67 HB1 ALA 10 HB1 ALA 10 -19.213 -5.583 -18.156 68 HB2 ALA 10 HB2 ALA 10 -20.026 -4.036 -17.820 69 HB3 ALA 10 HB3 ALA 10 -18.357 -4.304 -17.262 70 H LEU 11 H LEU 11 -22.436 -5.184 -16.305 71 HA LEU 11 HA LEU 11 -22.688 -2.619 -15.100 72 HB2 LEU 11 HB2 LEU 11 -24.197 -4.239 -16.776 73 HB3 LEU 11 HB3 LEU 11 -25.119 -4.211 -15.286 74 HG LEU 11 HG LEU 11 -24.960 -1.675 -15.360 75 HD11 LEU 11 HD11 LEU 11 -24.134 -0.530 -17.152 76 HD12 LEU 11 HD12 LEU 11 -23.039 -1.933 -17.167 77 HD13 LEU 11 HD13 LEU 11 -24.419 -1.869 -18.290 78 HD21 LEU 11 HD21 LEU 11 -27.062 -2.482 -15.854 79 HD22 LEU 11 HD22 LEU 11 -26.663 -1.585 -17.339 80 HD23 LEU 11 HD23 LEU 11 -26.509 -3.358 -17.302 81 H VAL 12 H VAL 12 -23.974 -5.882 -14.129 82 HA VAL 12 HA VAL 12 -24.728 -5.149 -11.590 83 HB VAL 12 HB VAL 12 -25.407 -7.202 -12.637 84 HG11 VAL 12 HG11 VAL 12 -24.044 -8.849 -13.439 85 HG12 VAL 12 HG12 VAL 12 -22.927 -7.474 -13.609 86 HG13 VAL 12 HG13 VAL 12 -22.787 -8.566 -12.210 87 HG21 VAL 12 HG21 VAL 12 -23.796 -7.604 -10.099 88 HG22 VAL 12 HG22 VAL 12 -25.534 -7.250 -10.249 89 HG23 VAL 12 HG23 VAL 12 -24.900 -8.829 -10.772 90 H THR 13 H THR 13 -21.512 -5.938 -12.910 91 HA THR 13 HA THR 13 -20.226 -6.297 -10.424 92 HB THR 13 HB THR 13 -19.376 -5.644 -13.277 93 HG1 THR 13 HG1 THR 13 -19.131 -7.807 -11.308 94 HG21 THR 13 HG21 THR 13 -17.668 -5.928 -10.761 95 HG22 THR 13 HG22 THR 13 -17.041 -6.330 -12.377 96 HG23 THR 13 HG23 THR 13 -17.562 -4.667 -12.013 97 H PHE 14 H PHE 14 -19.957 -3.460 -12.674 98 HA PHE 14 HA PHE 14 -18.678 -1.772 -11.030 99 HB2 PHE 14 HB2 PHE 14 -20.552 -1.696 -13.305 100 HB3 PHE 14 HB3 PHE 14 -20.809 -0.295 -12.284 101 HD1 PHE 14 HD1 PHE 14 -18.733 1.121 -11.696 102 HD2 PHE 14 HD2 PHE 14 -18.809 -1.710 -14.856 103 HE1 PHE 14 HE1 PHE 14 -16.767 2.260 -12.763 104 HE2 PHE 14 HE2 PHE 14 -16.843 -0.571 -15.923 105 HZ PHE 14 HZ PHE 14 -15.845 1.400 -14.864 106 H GLY 15 H GLY 15 -22.302 -2.051 -11.234 107 HA2 GLY 15 HA2 GLY 15 -22.874 -0.257 -9.176 108 HA3 GLY 15 HA3 GLY 15 -23.911 -1.548 -9.750 109 H SER 16 H SER 16 -23.095 -3.887 -9.017 110 HA SER 16 HA SER 16 -23.536 -4.203 -6.441 111 HB2 SER 16 HB2 SER 16 -23.284 -6.070 -8.025 112 HB3 SER 16 HB3 SER 16 -21.557 -5.795 -8.130 113 HG SER 16 HG SER 16 -23.088 -6.848 -5.941 114 H ILE 17 H ILE 17 -20.144 -4.175 -7.786 115 HA ILE 17 HA ILE 17 -18.783 -4.159 -5.440 116 HB ILE 17 HB ILE 17 -18.154 -2.738 -8.027 117 HG12 ILE 17 HG12 ILE 17 -18.473 -5.082 -8.394 118 HG13 ILE 17 HG13 ILE 17 -16.753 -4.751 -8.440 119 HG21 ILE 17 HG21 ILE 17 -15.958 -3.603 -6.236 120 HG22 ILE 17 HG22 ILE 17 -16.092 -2.182 -7.300 121 HG23 ILE 17 HG23 ILE 17 -16.891 -2.182 -5.710 122 HD11 ILE 17 HD11 ILE 17 -16.735 -6.596 -7.037 123 HD12 ILE 17 HD12 ILE 17 -16.936 -5.319 -5.813 124 HD13 ILE 17 HD13 ILE 17 -18.350 -6.241 -6.378 125 H PHE 18 H PHE 18 -20.227 -1.330 -7.165 126 HA PHE 18 HA PHE 18 -19.261 0.669 -5.578 127 HB2 PHE 18 HB2 PHE 18 -21.006 0.390 -7.674 128 HB3 PHE 18 HB3 PHE 18 -22.185 0.613 -6.397 129 HD1 PHE 18 HD2 PHE 18 -18.975 2.192 -7.493 130 HD2 PHE 18 HD1 PHE 18 -22.938 2.760 -6.085 131 HE1 PHE 18 HE2 PHE 18 -18.674 4.680 -7.648 132 HE2 PHE 18 HE1 PHE 18 -22.637 5.247 -6.240 133 HZ PHE 18 HZ PHE 18 -20.508 6.177 -7.020 134 H GLY 19 H GLY 19 -22.138 -1.453 -5.027 135 HA2 GLY 19 HA2 GLY 19 -22.855 -0.110 -2.586 136 HA3 GLY 19 HA3 GLY 19 -23.555 -1.571 -3.256 137 H TYR 20 H TYR 20 -20.602 -2.627 -3.552 138 HA TYR 20 HA TYR 20 -19.283 -3.995 -2.410 139 HB2 TYR 20 HB2 TYR 20 -19.755 -1.550 -0.815 140 HB3 TYR 20 HB3 TYR 20 -19.460 -2.906 0.254 141 HD1 TYR 20 HD2 TYR 20 -18.013 -0.928 -2.537 142 HD2 TYR 20 HD1 TYR 20 -17.267 -3.809 0.536 143 HE1 TYR 20 HE2 TYR 20 -15.509 -0.682 -2.904 144 HE2 TYR 20 HE1 TYR 20 -14.766 -3.553 0.159 145 HH TYR 20 HH TYR 20 -13.264 -2.869 -1.536 146 H LYS 21 H LYS 21 -20.007 -6.039 -2.080 147 HA LYS 21 HA LYS 21 -21.620 -6.497 0.296 148 HB2 LYS 21 HB2 LYS 21 -22.591 -6.765 -2.475 149 HB3 LYS 21 HB3 LYS 21 -22.838 -8.193 -1.489 150 HG2 LYS 21 HG2 LYS 21 -23.938 -6.804 0.268 151 HG3 LYS 21 HG3 LYS 21 -23.663 -5.361 -0.687 152 HD2 LYS 21 HD2 LYS 21 -25.257 -5.958 -2.315 153 HD3 LYS 21 HD3 LYS 21 -25.118 -7.672 -1.978 154 HE2 LYS 21 HE2 LYS 21 -26.391 -7.484 0.065 155 HE3 LYS 21 HE3 LYS 21 -26.254 -5.737 0.081 156 HZ1 LYS 21 HZ1 LYS 21 -28.394 -6.564 -0.733 157 HZ2 LYS 21 HZ2 LYS 21 -27.637 -5.616 -1.826 158 HZ3 LYS 21 HZ3 LYS 21 -27.651 -7.237 -2.023 159 H ARG 22 H ARG 22 -19.153 -7.023 0.644 160 HA ARG 22 HA ARG 22 -17.686 -8.547 1.082 161 HB2 ARG 22 HB2 ARG 22 -20.139 -10.218 0.668 162 HB3 ARG 22 HB3 ARG 22 -18.621 -11.090 0.591 163 HG2 ARG 22 HG2 ARG 22 -19.053 -9.148 2.867 164 HG3 ARG 22 HG3 ARG 22 -19.869 -10.698 2.925 165 HD2 ARG 22 HD2 ARG 22 -17.703 -11.886 2.690 166 HD3 ARG 22 HD3 ARG 22 -16.857 -10.362 2.518 167 HE ARG 22 HE ARG 22 -17.847 -11.533 5.007 168 HH11 ARG 22 HH22 ARG 22 -16.948 -8.527 3.415 169 HH12 ARG 22 HH21 ARG 22 -16.609 -7.695 4.896 170 HH21 ARG 22 HH12 ARG 22 -17.399 -10.436 6.961 171 HH22 ARG 22 HH11 ARG 22 -16.866 -8.789 6.926 172 H ARG 23 H ARG 23 -15.932 -8.635 -0.286 173 HA ARG 23 HA ARG 23 -15.926 -10.412 -2.435 174 HB2 ARG 23 HB2 ARG 23 -16.711 -7.636 -3.017 175 HB3 ARG 23 HB3 ARG 23 -15.255 -8.072 -3.889 176 HG2 ARG 23 HG2 ARG 23 -16.531 -9.191 -5.390 177 HG3 ARG 23 HG3 ARG 23 -16.965 -10.330 -4.131 178 HD2 ARG 23 HD2 ARG 23 -18.601 -8.116 -3.573 179 HD3 ARG 23 HD3 ARG 23 -18.574 -8.157 -5.324 180 HE ARG 23 HE ARG 23 -19.974 -9.993 -3.638 181 HH11 ARG 23 HH22 ARG 23 -17.969 -9.992 -6.530 182 HH12 ARG 23 HH21 ARG 23 -18.689 -11.424 -7.184 183 HH21 ARG 23 HH12 ARG 23 -20.924 -11.883 -4.501 184 HH22 ARG 23 HH11 ARG 23 -20.381 -12.508 -6.022 185 H GLY 24 H GLY 24 -13.731 -10.197 -3.689 186 HA2 GLY 24 HA2 GLY 24 -11.574 -8.996 -3.603 187 HA3 GLY 24 HA3 GLY 24 -11.703 -9.058 -1.856 188 H GLY 25 H GLY 25 -9.558 -10.188 -3.536 189 HA2 GLY 25 HA2 GLY 25 -9.845 -13.017 -2.734 190 HA3 GLY 25 HA3 GLY 25 -9.223 -12.571 -4.310 191 H VAL 26 H VAL 26 -8.604 -10.646 -1.356 192 HA VAL 26 HA VAL 26 -6.106 -11.870 -0.795 193 HB VAL 26 HB VAL 26 -5.395 -10.819 -2.817 194 HG11 VAL 26 HG11 VAL 26 -5.846 -8.648 -3.499 195 HG12 VAL 26 HG12 VAL 26 -7.361 -9.096 -2.680 196 HG13 VAL 26 HG13 VAL 26 -6.164 -8.079 -1.843 197 HG21 VAL 26 HG21 VAL 26 -3.606 -10.637 -1.397 198 HG22 VAL 26 HG22 VAL 26 -3.884 -8.912 -1.735 199 HG23 VAL 26 HG23 VAL 26 -4.492 -9.632 -0.225 200 HA PRO 27 HA PRO 27 -7.982 -9.532 2.539 201 HB2 PRO 27 HB2 PRO 27 -7.800 -11.481 4.445 202 HB3 PRO 27 HB3 PRO 27 -9.217 -11.254 3.440 203 HG2 PRO 27 HG2 PRO 27 -7.134 -13.344 3.262 204 HG3 PRO 27 HG3 PRO 27 -8.744 -13.337 2.569 205 HD2 PRO 27 HD2 PRO 27 -6.277 -12.859 1.185 206 HD3 PRO 27 HD3 PRO 27 -7.893 -12.738 0.519 207 H SER 28 H SER 28 -6.009 -8.250 2.085 208 HA SER 28 HA SER 28 -4.530 -8.208 4.465 209 HB2 SER 28 HB2 SER 28 -3.377 -10.128 3.374 210 HB3 SER 28 HB3 SER 28 -3.043 -9.137 1.967 211 HG SER 28 HG SER 28 -1.572 -9.364 4.213 212 H LEU 29 H LEU 29 -3.665 -7.529 0.993 213 HA LEU 29 HA LEU 29 -2.590 -5.085 1.301 214 HB2 LEU 29 HB2 LEU 29 -2.487 -6.092 -0.795 215 HB3 LEU 29 HB3 LEU 29 -4.223 -6.304 -0.899 216 HG LEU 29 HG LEU 29 -3.995 -3.561 -0.772 217 HD11 LEU 29 HD11 LEU 29 -2.163 -3.631 -2.888 218 HD12 LEU 29 HD12 LEU 29 -1.928 -2.922 -1.273 219 HD13 LEU 29 HD13 LEU 29 -1.420 -4.598 -1.591 220 HD21 LEU 29 HD21 LEU 29 -5.014 -3.605 -2.800 221 HD22 LEU 29 HD22 LEU 29 -3.886 -4.806 -3.473 222 HD23 LEU 29 HD23 LEU 29 -5.191 -5.325 -2.380 223 H ILE 30 H ILE 30 -6.115 -5.839 0.999 224 HA ILE 30 HA ILE 30 -7.074 -3.276 0.957 225 HB ILE 30 HB ILE 30 -8.444 -5.208 0.571 226 HG12 ILE 30 HG12 ILE 30 -9.817 -4.198 2.985 227 HG13 ILE 30 HG13 ILE 30 -9.227 -2.952 1.904 228 HG21 ILE 30 HG21 ILE 30 -8.478 -5.880 3.502 229 HG22 ILE 30 HG22 ILE 30 -8.961 -6.871 2.105 230 HG23 ILE 30 HG23 ILE 30 -7.238 -6.559 2.422 231 HD11 ILE 30 HD11 ILE 30 -11.274 -3.359 0.900 232 HD12 ILE 30 HD12 ILE 30 -10.302 -4.575 0.037 233 HD13 ILE 30 HD13 ILE 30 -11.310 -5.060 1.422 234 H ALA 31 H ALA 31 -6.338 -5.331 3.857 235 HA ALA 31 HA ALA 31 -7.042 -3.433 5.751 236 HB1 ALA 31 HB1 ALA 31 -4.786 -5.044 6.597 237 HB2 ALA 31 HB2 ALA 31 -6.494 -5.155 7.086 238 HB3 ALA 31 HB3 ALA 31 -5.922 -6.032 5.647 239 H GLY 32 H GLY 32 -4.138 -3.804 3.723 240 HA2 GLY 32 HA2 GLY 32 -2.484 -2.033 5.220 241 HA3 GLY 32 HA3 GLY 32 -2.234 -2.601 3.581 242 H LEU 33 H LEU 33 -4.976 -1.666 2.688 243 HA LEU 33 HA LEU 33 -4.167 0.993 2.020 244 HB2 LEU 33 HB2 LEU 33 -5.172 -0.322 0.330 245 HB3 LEU 33 HB3 LEU 33 -6.541 -0.731 1.345 246 HG LEU 33 HG LEU 33 -6.135 2.162 0.776 247 HD11 LEU 33 HD11 LEU 33 -5.617 1.099 -1.396 248 HD12 LEU 33 HD12 LEU 33 -7.198 0.281 -1.350 249 HD13 LEU 33 HD13 LEU 33 -7.117 2.058 -1.432 250 HD21 LEU 33 HD21 LEU 33 -8.125 0.598 1.918 251 HD22 LEU 33 HD22 LEU 33 -8.261 2.302 1.420 252 HD23 LEU 33 HD23 LEU 33 -8.767 1.007 0.309 253 H PHE 34 H PHE 34 -6.535 -0.581 4.204 254 HA PHE 34 HA PHE 34 -7.912 1.779 4.855 255 HB2 PHE 34 HB2 PHE 34 -8.132 -0.948 5.290 256 HB3 PHE 34 HB3 PHE 34 -7.515 -0.453 6.854 257 HD1 PHE 34 HD2 PHE 34 -8.809 1.982 7.515 258 HD2 PHE 34 HD1 PHE 34 -10.396 -1.323 5.380 259 HE1 PHE 34 HE2 PHE 34 -11.126 2.640 8.221 260 HE2 PHE 34 HE1 PHE 34 -12.714 -0.666 6.086 261 HZ PHE 34 HZ PHE 34 -13.051 1.307 7.498 262 H VAL 35 H VAL 35 -5.319 -0.073 6.612 263 HA VAL 35 HA VAL 35 -5.088 1.894 8.633 264 HB VAL 35 HB VAL 35 -3.054 0.610 9.229 265 HG11 VAL 35 HG11 VAL 35 -4.320 -0.920 10.293 266 HG12 VAL 35 HG12 VAL 35 -5.687 -0.099 9.504 267 HG13 VAL 35 HG13 VAL 35 -4.991 -1.568 8.778 268 HG21 VAL 35 HG21 VAL 35 -3.344 -0.338 6.496 269 HG22 VAL 35 HG22 VAL 35 -1.966 -0.485 7.613 270 HG23 VAL 35 HG23 VAL 35 -3.273 -1.693 7.648 271 H GLY 36 H GLY 36 -3.547 1.303 5.463 272 HA2 GLY 36 HA2 GLY 36 -1.402 3.128 5.807 273 HA3 GLY 36 HA3 GLY 36 -2.009 2.469 4.301 274 H CYS 37 H CYS 37 -4.830 3.423 4.848 275 HA CYS 37 HA CYS 37 -4.458 6.026 3.734 276 HB2 CYS 37 HB2 CYS 37 -6.775 4.190 4.187 277 HB3 CYS 37 HB3 CYS 37 -7.115 5.900 4.018 278 HG CYS 37 HG CYS 37 -7.414 5.317 1.661 279 H LEU 38 H LEU 38 -5.602 4.523 6.806 280 HA LEU 38 HA LEU 38 -6.476 6.913 7.993 281 HB2 LEU 38 HB2 LEU 38 -6.961 4.459 8.586 282 HB3 LEU 38 HB3 LEU 38 -5.448 4.503 9.470 283 HG LEU 38 HG LEU 38 -7.174 4.892 11.041 284 HD11 LEU 38 HD11 LEU 38 -5.141 6.340 11.209 285 HD12 LEU 38 HD12 LEU 38 -6.065 7.638 10.414 286 HD13 LEU 38 HD13 LEU 38 -6.594 7.008 11.992 287 HD21 LEU 38 HD21 LEU 38 -8.237 7.146 9.321 288 HD22 LEU 38 HD22 LEU 38 -8.919 5.503 9.370 289 HD23 LEU 38 HD23 LEU 38 -8.929 6.515 10.834 290 H ALA 39 H ALA 39 -3.429 4.995 8.519 291 HA ALA 39 HA ALA 39 -2.220 6.979 10.078 292 HB1 ALA 39 HB1 ALA 39 -0.295 5.374 8.639 293 HB2 ALA 39 HB2 ALA 39 -0.768 5.289 10.354 294 HB3 ALA 39 HB3 ALA 39 -1.668 4.355 9.135 295 H GLY 40 H GLY 40 -2.090 6.219 6.545 296 HA2 GLY 40 HA2 GLY 40 -0.160 8.118 5.842 297 HA3 GLY 40 HA3 GLY 40 -1.382 7.430 4.791 298 H TYR 41 H TYR 41 -3.606 8.409 4.821 299 HA TYR 41 HA TYR 41 -3.639 11.049 4.319 300 HB2 TYR 41 HB2 TYR 41 -5.431 9.064 4.270 301 HB3 TYR 41 HB3 TYR 41 -5.855 9.612 5.879 302 HD1 TYR 41 HD1 TYR 41 -5.266 11.144 2.494 303 HD2 TYR 41 HD2 TYR 41 -7.678 11.029 6.026 304 HE1 TYR 41 HE1 TYR 41 -6.823 12.889 1.497 305 HE2 TYR 41 HE2 TYR 41 -9.227 12.774 5.017 306 HH TYR 41 HH TYR 41 -8.655 14.008 1.734 307 H GLY 42 H GLY 42 -4.510 9.565 7.525 308 HA2 GLY 42 HA2 GLY 42 -5.036 11.884 8.914 309 HA3 GLY 42 HA3 GLY 42 -4.407 10.403 9.608 310 H ALA 43 H ALA 43 -1.860 10.135 8.585 311 HA ALA 43 HA ALA 43 -0.366 11.828 10.152 312 HB1 ALA 43 HB1 ALA 43 0.564 9.759 9.442 313 HB2 ALA 43 HB2 ALA 43 0.279 10.127 7.724 314 HB3 ALA 43 HB3 ALA 43 1.536 11.007 8.627 315 H TYR 44 H TYR 44 -1.601 12.228 6.838 316 HA TYR 44 HA TYR 44 0.067 14.524 6.341 317 HB2 TYR 44 HB2 TYR 44 -0.512 13.347 4.362 318 HB3 TYR 44 HB3 TYR 44 -2.033 12.792 5.033 319 HD1 TYR 44 HD1 TYR 44 -3.963 14.494 5.211 320 HD2 TYR 44 HD2 TYR 44 -0.451 15.165 2.861 321 HE1 TYR 44 HE1 TYR 44 -5.194 16.262 3.862 322 HE2 TYR 44 HE2 TYR 44 -1.695 16.931 1.520 323 HH TYR 44 HH TYR 44 -4.716 17.168 1.222 324 H ARG 45 H ARG 45 -3.172 13.803 7.603 325 HA ARG 45 HA ARG 45 -4.044 16.485 7.215 326 HB2 ARG 45 HB2 ARG 45 -5.386 14.131 7.444 327 HB3 ARG 45 HB3 ARG 45 -5.458 14.629 9.123 328 HG2 ARG 45 HG2 ARG 45 -6.481 16.792 8.472 329 HG3 ARG 45 HG3 ARG 45 -6.333 16.378 6.776 330 HD2 ARG 45 HD2 ARG 45 -8.317 15.278 6.850 331 HD3 ARG 45 HD3 ARG 45 -7.690 14.191 8.073 332 HE ARG 45 HE ARG 45 -9.366 16.565 8.528 333 HH11 ARG 45 HH22 ARG 45 -7.175 14.227 9.983 334 HH12 ARG 45 HH21 ARG 45 -7.759 14.489 11.592 335 HH21 ARG 45 HH12 ARG 45 -10.137 16.911 10.651 336 HH22 ARG 45 HH11 ARG 45 -9.455 16.026 11.975 337 H VAL 46 H VAL 46 -3.470 14.336 10.107 338 HA VAL 46 HA VAL 46 -3.754 16.247 12.050 339 HB VAL 46 HB VAL 46 -2.520 14.753 13.464 340 HG11 VAL 46 HG11 VAL 46 -4.075 13.118 13.412 341 HG12 VAL 46 HG12 VAL 46 -4.776 14.070 12.082 342 HG13 VAL 46 HG13 VAL 46 -3.715 12.686 11.723 343 HG21 VAL 46 HG21 VAL 46 -1.306 13.844 10.887 344 HG22 VAL 46 HG22 VAL 46 -0.555 14.108 12.479 345 HG23 VAL 46 HG23 VAL 46 -1.521 12.642 12.183 346 H SER 47 H SER 47 -1.044 15.630 9.820 347 HA SER 47 HA SER 47 -0.005 18.184 10.410 348 HB2 SER 47 HB2 SER 47 2.177 17.544 11.275 349 HB3 SER 47 HB3 SER 47 0.944 16.870 12.322 350 HG SER 47 HG SER 47 2.379 15.457 10.238 351 H ASN 48 H ASN 48 2.404 18.221 9.206 352 HA ASN 48 HA ASN 48 3.379 18.205 7.268 353 HB2 ASN 48 HB2 ASN 48 2.563 15.357 7.668 354 HB3 ASN 48 HB3 ASN 48 2.949 15.766 6.008 355 HD21 ASN 48 HD21 ASN 48 4.939 17.383 5.943 356 HD22 ASN 48 HD22 ASN 48 6.350 16.824 6.779 357 H ASP 49 H ASP 49 2.006 19.761 6.182 358 HA ASP 49 HA ASP 49 -0.481 19.377 5.253 359 HB2 ASP 49 HB2 ASP 49 1.775 20.897 3.861 360 HB3 ASP 49 HB3 ASP 49 0.069 21.130 3.533 361 H LYS 50 H LYS 50 2.678 18.675 3.604 362 HA LYS 50 HA LYS 50 1.717 16.443 2.253 363 HB2 LYS 50 HB2 LYS 50 1.568 17.247 -0.044 364 HB3 LYS 50 HB3 LYS 50 0.354 18.005 0.966 365 HG2 LYS 50 HG2 LYS 50 2.702 19.655 1.107 366 HG3 LYS 50 HG3 LYS 50 2.458 19.262 -0.583 367 HD2 LYS 50 HD2 LYS 50 0.330 20.283 -0.661 368 HD3 LYS 50 HD3 LYS 50 0.070 20.119 1.064 369 HE2 LYS 50 HE2 LYS 50 1.694 21.885 1.552 370 HE3 LYS 50 HE3 LYS 50 2.211 21.945 -0.122 371 HZ1 LYS 50 HZ1 LYS 50 0.632 23.681 0.447 372 HZ2 LYS 50 HZ2 LYS 50 0.048 22.717 -0.735 373 HZ3 LYS 50 HZ3 LYS 50 -0.512 22.568 0.792 374 H ARG 51 H ARG 51 3.414 15.424 0.985 375 HA ARG 51 HA ARG 51 5.936 16.838 1.112 376 HB2 ARG 51 HB2 ARG 51 5.257 14.191 2.409 377 HB3 ARG 51 HB3 ARG 51 6.868 14.393 1.749 378 HG2 ARG 51 HG2 ARG 51 6.691 16.741 3.102 379 HG3 ARG 51 HG3 ARG 51 5.572 15.800 4.068 380 HD2 ARG 51 HD2 ARG 51 7.879 14.143 3.568 381 HD3 ARG 51 HD3 ARG 51 8.463 15.714 4.081 382 HE ARG 51 HE ARG 51 6.337 15.044 5.827 383 HH11 ARG 51 HH22 ARG 51 9.526 13.804 5.005 384 HH12 ARG 51 HH21 ARG 51 9.802 13.115 6.570 385 HH21 ARG 51 HH12 ARG 51 6.701 14.136 7.892 386 HH22 ARG 51 HH11 ARG 51 8.185 13.306 8.223 387 H ASP 52 H ASP 52 7.669 15.020 0.027 388 HA ASP 52 HA ASP 52 6.539 14.681 -2.584 389 HB2 ASP 52 HB2 ASP 52 8.855 15.629 -2.144 390 HB3 ASP 52 HB3 ASP 52 9.347 14.052 -1.560 391 H VAL 53 H VAL 53 5.045 12.902 -1.554 392 HA VAL 53 HA VAL 53 4.526 10.790 -1.113 393 HB VAL 53 HB VAL 53 6.704 10.313 -3.158 394 HG11 VAL 53 HG11 VAL 53 6.141 8.139 -3.246 395 HG12 VAL 53 HG12 VAL 53 5.405 8.406 -1.648 396 HG13 VAL 53 HG13 VAL 53 4.400 8.488 -3.115 397 HG21 VAL 53 HG21 VAL 53 4.850 11.941 -3.770 398 HG22 VAL 53 HG22 VAL 53 5.042 10.534 -4.844 399 HG23 VAL 53 HG23 VAL 53 3.725 10.567 -3.647 400 H LYS 54 H LYS 54 5.929 11.715 0.976 401 HA LYS 54 HA LYS 54 8.214 10.009 1.441 402 HB2 LYS 54 HB2 LYS 54 7.428 12.553 2.295 403 HB3 LYS 54 HB3 LYS 54 7.254 11.551 3.722 404 HG2 LYS 54 HG2 LYS 54 9.503 11.881 3.974 405 HG3 LYS 54 HG3 LYS 54 9.663 10.627 2.761 406 HD2 LYS 54 HD2 LYS 54 9.227 12.916 1.215 407 HD3 LYS 54 HD3 LYS 54 10.191 13.531 2.543 408 HE2 LYS 54 HE2 LYS 54 11.290 10.983 1.658 409 HE3 LYS 54 HE3 LYS 54 11.096 12.042 0.275 410 HZ1 LYS 54 HZ1 LYS 54 12.859 12.295 2.506 411 HZ2 LYS 54 HZ2 LYS 54 13.003 12.889 0.992 412 HZ3 LYS 54 HZ3 LYS 54 12.114 13.691 2.102 413 H VAL 55 H VAL 55 5.054 10.648 3.129 414 HA VAL 55 HA VAL 55 5.079 8.663 4.928 415 HB VAL 55 HB VAL 55 2.596 8.579 4.611 416 HG11 VAL 55 HG11 VAL 55 2.446 10.444 5.854 417 HG12 VAL 55 HG12 VAL 55 4.206 10.580 5.626 418 HG13 VAL 55 HG13 VAL 55 3.098 11.471 4.555 419 HG21 VAL 55 HG21 VAL 55 2.191 8.850 2.330 420 HG22 VAL 55 HG22 VAL 55 1.750 10.438 3.002 421 HG23 VAL 55 HG23 VAL 55 3.318 10.221 2.188 422 H SER 56 H SER 56 4.029 8.314 1.469 423 HA SER 56 HA SER 56 3.347 5.715 1.512 424 HB2 SER 56 HB2 SER 56 3.608 7.591 -0.430 425 HB3 SER 56 HB3 SER 56 5.011 6.615 -0.818 426 HG SER 56 HG SER 56 3.299 4.748 -0.566 427 H LEU 57 H LEU 57 6.668 7.092 0.984 428 HA LEU 57 HA LEU 57 7.986 4.690 0.625 429 HB2 LEU 57 HB2 LEU 57 8.615 7.413 0.830 430 HB3 LEU 57 HB3 LEU 57 9.574 6.630 2.069 431 HG LEU 57 HG LEU 57 9.543 5.579 -0.756 432 HD11 LEU 57 HD11 LEU 57 11.880 7.068 -0.509 433 HD12 LEU 57 HD12 LEU 57 10.456 7.465 -1.501 434 HD13 LEU 57 HD13 LEU 57 10.609 8.131 0.142 435 HD21 LEU 57 HD21 LEU 57 12.070 5.337 0.473 436 HD22 LEU 57 HD22 LEU 57 10.866 4.872 1.698 437 HD23 LEU 57 HD23 LEU 57 10.891 4.051 0.119 438 H PHE 58 H PHE 58 6.935 6.380 3.605 439 HA PHE 58 HA PHE 58 8.383 4.715 5.359 440 HB2 PHE 58 HB2 PHE 58 7.033 7.068 5.528 441 HB3 PHE 58 HB3 PHE 58 5.707 6.023 5.997 442 HD1 PHE 58 HD2 PHE 58 9.353 5.956 6.820 443 HD2 PHE 58 HD1 PHE 58 5.373 6.219 8.268 444 HE1 PHE 58 HE2 PHE 58 10.210 5.929 9.179 445 HE2 PHE 58 HE1 PHE 58 6.230 6.191 10.627 446 HZ PHE 58 HZ PHE 58 8.638 6.047 11.054 447 H THR 59 H THR 59 5.278 4.428 3.664 448 HA THR 59 HA THR 59 4.269 2.363 5.371 449 HB THR 59 HB THR 59 3.505 3.474 2.624 450 HG1 THR 59 HG1 THR 59 2.280 3.519 5.286 451 HG21 THR 59 HG21 THR 59 1.331 2.204 4.045 452 HG22 THR 59 HG22 THR 59 1.955 1.810 2.425 453 HG23 THR 59 HG23 THR 59 2.641 1.012 3.861 454 H ALA 60 H ALA 60 5.949 2.482 2.182 455 HA ALA 60 HA ALA 60 5.784 -0.284 1.734 456 HB1 ALA 60 HB1 ALA 60 6.571 0.460 -0.232 457 HB2 ALA 60 HB2 ALA 60 6.858 2.064 0.482 458 HB3 ALA 60 HB3 ALA 60 8.136 0.826 0.532 459 H PHE 61 H PHE 61 8.141 1.823 3.449 460 HA PHE 61 HA PHE 61 10.088 -0.157 3.809 461 HB2 PHE 61 HB2 PHE 61 9.843 2.539 4.214 462 HB3 PHE 61 HB3 PHE 61 9.505 2.016 5.852 463 HD1 PHE 61 HD2 PHE 61 11.238 0.808 7.148 464 HD2 PHE 61 HD1 PHE 61 12.058 2.436 3.316 465 HE1 PHE 61 HE2 PHE 61 13.701 0.636 7.602 466 HE2 PHE 61 HE1 PHE 61 14.521 2.265 3.770 467 HZ PHE 61 HZ PHE 61 15.313 1.367 5.908 468 H PHE 62 H PHE 62 7.398 1.019 5.945 469 HA PHE 62 HA PHE 62 7.981 -0.628 8.096 470 HB2 PHE 62 HB2 PHE 62 6.253 1.377 7.583 471 HB3 PHE 62 HB3 PHE 62 5.159 0.074 7.164 472 HD1 PHE 62 HD2 PHE 62 7.490 0.992 9.940 473 HD2 PHE 62 HD1 PHE 62 3.761 -0.697 8.821 474 HE1 PHE 62 HE2 PHE 62 6.887 0.720 12.361 475 HE2 PHE 62 HE1 PHE 62 3.158 -0.969 11.243 476 HZ PHE 62 HZ PHE 62 4.728 -0.257 12.983 477 H LEU 63 H LEU 63 5.951 -1.184 5.163 478 HA LEU 63 HA LEU 63 4.863 -3.612 6.007 479 HB2 LEU 63 HB2 LEU 63 4.813 -1.933 3.724 480 HB3 LEU 63 HB3 LEU 63 5.231 -3.541 3.166 481 HG LEU 63 HG LEU 63 2.911 -3.222 5.039 482 HD11 LEU 63 HD11 LEU 63 2.004 -1.697 3.652 483 HD12 LEU 63 HD12 LEU 63 3.076 -2.125 2.297 484 HD13 LEU 63 HD13 LEU 63 1.644 -3.123 2.649 485 HD21 LEU 63 HD21 LEU 63 3.953 -5.436 4.137 486 HD22 LEU 63 HD22 LEU 63 2.184 -5.242 4.192 487 HD23 LEU 63 HD23 LEU 63 3.054 -5.037 2.653 488 H ALA 64 H ALA 64 7.671 -2.978 3.782 489 HA ALA 64 HA ALA 64 8.464 -5.570 3.453 490 HB1 ALA 64 HB1 ALA 64 9.589 -2.884 3.166 491 HB2 ALA 64 HB2 ALA 64 10.831 -4.084 3.597 492 HB3 ALA 64 HB3 ALA 64 9.821 -4.328 2.151 493 H THR 65 H THR 65 9.603 -3.238 6.002 494 HA THR 65 HA THR 65 11.221 -5.048 7.354 495 HB THR 65 HB THR 65 10.558 -2.362 7.516 496 HG1 THR 65 HG1 THR 65 11.700 -4.147 9.550 497 HG21 THR 65 HG21 THR 65 9.853 -3.507 10.235 498 HG22 THR 65 HG22 THR 65 9.551 -1.872 9.600 499 HG23 THR 65 HG23 THR 65 8.557 -3.241 9.044 500 H ILE 66 H ILE 66 7.699 -4.676 7.327 501 HA ILE 66 HA ILE 66 7.312 -6.172 9.715 502 HB ILE 66 HB ILE 66 5.661 -4.924 7.612 503 HG12 ILE 66 HG12 ILE 66 4.690 -5.062 10.380 504 HG13 ILE 66 HG13 ILE 66 6.305 -4.395 10.247 505 HG21 ILE 66 HG21 ILE 66 4.758 -7.379 9.117 506 HG22 ILE 66 HG22 ILE 66 3.618 -6.156 8.508 507 HG23 ILE 66 HG23 ILE 66 4.665 -7.041 7.372 508 HD11 ILE 66 HD11 ILE 66 3.889 -3.037 9.754 509 HD12 ILE 66 HD12 ILE 66 5.525 -2.462 9.351 510 HD13 ILE 66 HD13 ILE 66 4.566 -3.340 8.136 511 H MET 67 H MET 67 7.730 -6.889 6.259 512 HA MET 67 HA MET 67 6.874 -9.597 6.643 513 HB2 MET 67 HB2 MET 67 6.955 -7.843 4.485 514 HB3 MET 67 HB3 MET 67 8.377 -8.818 4.169 515 HG2 MET 67 HG2 MET 67 6.596 -9.963 3.055 516 HG3 MET 67 HG3 MET 67 6.877 -10.894 4.513 517 HE1 MET 67 HE1 MET 67 4.982 -11.989 4.158 518 HE2 MET 67 HE2 MET 67 3.620 -11.619 5.242 519 HE3 MET 67 HE3 MET 67 3.494 -11.267 3.502 520 H GLY 68 H GLY 68 9.918 -8.138 5.272 521 HA2 GLY 68 HA2 GLY 68 12.062 -8.566 6.125 522 HA3 GLY 68 HA3 GLY 68 11.478 -10.031 6.891 523 H VAL 69 H VAL 69 11.207 -8.738 3.499 524 HA VAL 69 HA VAL 69 11.392 -9.848 1.564 525 HB VAL 69 HB VAL 69 13.823 -10.877 1.442 526 HG11 VAL 69 HG11 VAL 69 14.086 -8.996 0.276 527 HG12 VAL 69 HG12 VAL 69 12.671 -8.288 1.091 528 HG13 VAL 69 HG13 VAL 69 14.296 -8.078 1.786 529 HG21 VAL 69 HG21 VAL 69 14.257 -10.985 3.818 530 HG22 VAL 69 HG22 VAL 69 15.326 -9.762 3.091 531 HG23 VAL 69 HG23 VAL 69 13.887 -9.255 4.007 532 H ARG 70 H ARG 70 9.633 -11.378 2.224 533 HA ARG 70 HA ARG 70 10.746 -14.048 2.190 534 HB2 ARG 70 HB2 ARG 70 9.811 -13.111 4.550 535 HB3 ARG 70 HB3 ARG 70 8.272 -13.584 3.858 536 HG2 ARG 70 HG2 ARG 70 9.493 -15.859 3.301 537 HG3 ARG 70 HG3 ARG 70 10.672 -15.333 4.486 538 HD2 ARG 70 HD2 ARG 70 8.516 -14.884 5.996 539 HD3 ARG 70 HD3 ARG 70 7.750 -16.012 4.895 540 HE ARG 70 HE ARG 70 10.137 -17.270 5.612 541 HH11 ARG 70 HH22 ARG 70 7.363 -15.989 7.359 542 HH12 ARG 70 HH21 ARG 70 7.508 -17.112 8.669 543 HH21 ARG 70 HH12 ARG 70 10.328 -18.752 7.341 544 HH22 ARG 70 HH11 ARG 70 9.205 -18.695 8.659 545 H PHE 71 H PHE 71 7.617 -12.175 2.237 546 HA PHE 71 HA PHE 71 5.801 -12.300 0.991 547 HB2 PHE 71 HB2 PHE 71 7.791 -11.803 -0.690 548 HB3 PHE 71 HB3 PHE 71 7.618 -13.477 -1.181 549 HD1 PHE 71 HD2 PHE 71 5.058 -10.879 -0.381 550 HD2 PHE 71 HD1 PHE 71 6.691 -13.496 -3.295 551 HE1 PHE 71 HE2 PHE 71 3.245 -10.222 -1.988 552 HE2 PHE 71 HE1 PHE 71 4.878 -12.838 -4.902 553 HZ PHE 71 HZ PHE 71 3.177 -11.209 -4.229 554 H LYS 72 H LYS 72 4.526 -13.857 -0.705 555 HA LYS 72 HA LYS 72 4.971 -16.610 0.210 556 HB2 LYS 72 HB2 LYS 72 2.918 -15.035 1.117 557 HB3 LYS 72 HB3 LYS 72 2.166 -15.819 -0.258 558 HG2 LYS 72 HG2 LYS 72 3.326 -18.008 0.770 559 HG3 LYS 72 HG3 LYS 72 3.307 -17.064 2.246 560 HD2 LYS 72 HD2 LYS 72 1.203 -17.981 2.457 561 HD3 LYS 72 HD3 LYS 72 0.751 -16.613 1.460 562 HE2 LYS 72 HE2 LYS 72 0.084 -17.995 -0.212 563 HE3 LYS 72 HE3 LYS 72 1.673 -18.732 -0.284 564 HZ1 LYS 72 HZ1 LYS 72 -0.169 -20.250 0.293 565 HZ2 LYS 72 HZ2 LYS 72 1.055 -20.262 1.374 566 HZ3 LYS 72 HZ3 LYS 72 -0.334 -19.478 1.722 567 H ARG 73 H ARG 73 6.259 -16.305 -1.952 568 HA ARG 73 HA ARG 73 4.648 -17.547 -3.913 569 HB2 ARG 73 HB2 ARG 73 4.242 -15.031 -4.273 570 HB3 ARG 73 HB3 ARG 73 5.939 -14.885 -4.683 571 HG2 ARG 73 HG2 ARG 73 4.498 -17.064 -6.123 572 HG3 ARG 73 HG3 ARG 73 3.937 -15.447 -6.498 573 HD2 ARG 73 HD2 ARG 73 6.028 -14.771 -7.373 574 HD3 ARG 73 HD3 ARG 73 6.917 -15.979 -6.467 575 HE ARG 73 HE ARG 73 6.583 -17.476 -8.224 576 HH11 ARG 73 HH22 ARG 73 4.130 -14.960 -8.410 577 HH12 ARG 73 HH21 ARG 73 3.473 -15.533 -9.907 578 HH21 ARG 73 HH12 ARG 73 5.716 -18.233 -10.199 579 HH22 ARG 73 HH11 ARG 73 4.381 -17.407 -10.931 580 H SER 74 H SER 74 7.705 -15.640 -3.395 581 HA SER 74 HA SER 74 9.145 -17.988 -4.316 582 HB2 SER 74 HB2 SER 74 8.945 -15.510 -5.743 583 HB3 SER 74 HB3 SER 74 10.575 -15.596 -5.106 584 HG SER 74 HG SER 74 9.315 -17.187 -7.068 585 H LYS 75 H LYS 75 10.970 -18.457 -3.063 586 HA LYS 75 HA LYS 75 11.209 -17.255 -0.572 587 HB2 LYS 75 HB2 LYS 75 11.906 -19.558 -1.122 588 HB3 LYS 75 HB3 LYS 75 13.225 -18.935 -2.092 589 HG2 LYS 75 HG2 LYS 75 14.518 -18.530 -0.261 590 HG3 LYS 75 HG3 LYS 75 13.214 -17.712 0.577 591 HD2 LYS 75 HD2 LYS 75 13.083 -20.719 0.319 592 HD3 LYS 75 HD3 LYS 75 14.205 -20.034 1.478 593 HE2 LYS 75 HE2 LYS 75 12.479 -19.811 2.932 594 HE3 LYS 75 HE3 LYS 75 11.807 -18.582 1.878 595 HZ1 LYS 75 HZ1 LYS 75 10.406 -20.602 2.395 596 HZ2 LYS 75 HZ2 LYS 75 10.479 -20.134 0.832 597 HZ3 LYS 75 HZ3 LYS 75 11.349 -21.419 1.342 598 H LYS 76 H LYS 76 13.438 -17.009 -3.437 599 HA LYS 76 HA LYS 76 14.683 -14.710 -2.200 600 HB2 LYS 76 HB2 LYS 76 15.442 -16.740 -4.087 601 HB3 LYS 76 HB3 LYS 76 15.665 -15.169 -4.831 602 HG2 LYS 76 HG2 LYS 76 17.701 -15.418 -3.704 603 HG3 LYS 76 HG3 LYS 76 16.778 -14.511 -2.523 604 HD2 LYS 76 HD2 LYS 76 16.532 -16.334 -1.092 605 HD3 LYS 76 HD3 LYS 76 16.544 -17.504 -2.397 606 HE2 LYS 76 HE2 LYS 76 19.088 -16.596 -2.659 607 HE3 LYS 76 HE3 LYS 76 18.863 -16.237 -0.959 608 HZ1 LYS 76 HZ1 LYS 76 18.116 -18.558 -0.701 609 HZ2 LYS 76 HZ2 LYS 76 18.539 -18.852 -2.251 610 HZ3 LYS 76 HZ3 LYS 76 19.678 -18.424 -1.161 611 H ILE 77 H ILE 77 15.212 -12.873 -3.998 612 HA ILE 77 HA ILE 77 14.409 -11.169 -5.147 613 HB ILE 77 HB ILE 77 12.536 -13.282 -6.203 614 HG12 ILE 77 HG12 ILE 77 14.393 -12.225 -8.114 615 HG13 ILE 77 HG13 ILE 77 15.283 -12.673 -6.672 616 HG21 ILE 77 HG21 ILE 77 12.793 -11.034 -7.967 617 HG22 ILE 77 HG22 ILE 77 11.327 -11.757 -7.263 618 HG23 ILE 77 HG23 ILE 77 12.200 -10.480 -6.382 619 HD11 ILE 77 HD11 ILE 77 13.184 -14.594 -7.659 620 HD12 ILE 77 HD12 ILE 77 14.707 -14.473 -8.572 621 HD13 ILE 77 HD13 ILE 77 14.735 -14.927 -6.852 622 H MET 78 H MET 78 13.491 -9.475 -4.133 623 HA MET 78 HA MET 78 11.791 -9.718 -2.039 624 HB2 MET 78 HB2 MET 78 12.901 -7.613 -3.724 625 HB3 MET 78 HB3 MET 78 11.228 -7.219 -3.382 626 HG2 MET 78 HG2 MET 78 11.952 -7.932 -0.879 627 HG3 MET 78 HG3 MET 78 13.543 -7.498 -1.470 628 HE1 MET 78 HE1 MET 78 13.526 -5.449 0.468 629 HE2 MET 78 HE2 MET 78 12.062 -4.456 0.663 630 HE3 MET 78 HE3 MET 78 11.976 -6.221 0.879 631 HA PRO 79 HA PRO 79 7.737 -9.942 -3.597 632 HB2 PRO 79 HB2 PRO 79 6.273 -8.071 -2.246 633 HB3 PRO 79 HB3 PRO 79 6.745 -9.607 -1.547 634 HG2 PRO 79 HG2 PRO 79 7.853 -6.917 -1.026 635 HG3 PRO 79 HG3 PRO 79 8.001 -8.371 -0.059 636 HD2 PRO 79 HD2 PRO 79 10.005 -7.235 -1.769 637 HD3 PRO 79 HD3 PRO 79 10.110 -8.749 -0.893 638 H ALA 80 H ALA 80 7.222 -9.661 -5.666 639 HA ALA 80 HA ALA 80 7.786 -7.179 -6.894 640 HB1 ALA 80 HB1 ALA 80 6.947 -9.860 -7.621 641 HB2 ALA 80 HB2 ALA 80 5.972 -8.651 -8.491 642 HB3 ALA 80 HB3 ALA 80 7.748 -8.621 -8.617 643 H GLY 81 H GLY 81 4.654 -8.880 -6.153 644 HA2 GLY 81 HA2 GLY 81 2.835 -7.069 -6.939 645 HA3 GLY 81 HA3 GLY 81 2.680 -8.004 -5.466 646 H LEU 82 H LEU 82 4.616 -6.965 -3.769 647 HA LEU 82 HA LEU 82 3.409 -4.746 -2.724 648 HB2 LEU 82 HB2 LEU 82 5.174 -6.396 -1.786 649 HB3 LEU 82 HB3 LEU 82 6.351 -5.260 -2.415 650 HG LEU 82 HG LEU 82 5.795 -4.997 0.014 651 HD11 LEU 82 HD11 LEU 82 5.896 -2.915 -2.036 652 HD12 LEU 82 HD12 LEU 82 5.120 -2.375 -0.527 653 HD13 LEU 82 HD13 LEU 82 6.765 -3.052 -0.489 654 HD21 LEU 82 HD21 LEU 82 3.301 -5.450 -0.404 655 HD22 LEU 82 HD22 LEU 82 3.738 -4.189 0.774 656 HD23 LEU 82 HD23 LEU 82 3.202 -3.732 -0.861 657 H VAL 83 H VAL 83 6.297 -4.897 -4.910 658 HA VAL 83 HA VAL 83 6.720 -2.153 -5.013 659 HB VAL 83 HB VAL 83 7.281 -4.373 -6.984 660 HG11 VAL 83 HG11 VAL 83 7.553 -2.621 -8.422 661 HG12 VAL 83 HG12 VAL 83 7.834 -1.445 -7.116 662 HG13 VAL 83 HG13 VAL 83 9.139 -2.547 -7.617 663 HG21 VAL 83 HG21 VAL 83 8.618 -4.914 -5.212 664 HG22 VAL 83 HG22 VAL 83 9.683 -3.726 -6.000 665 HG23 VAL 83 HG23 VAL 83 8.687 -3.242 -4.606 666 H ALA 84 H ALA 84 4.412 -4.286 -6.701 667 HA ALA 84 HA ALA 84 3.680 -2.390 -8.667 668 HB1 ALA 84 HB1 ALA 84 2.465 -4.131 -9.440 669 HB2 ALA 84 HB2 ALA 84 3.229 -5.084 -8.145 670 HB3 ALA 84 HB3 ALA 84 1.630 -4.346 -7.883 671 H GLY 85 H GLY 85 2.808 -2.976 -5.278 672 HA2 GLY 85 HA2 GLY 85 0.391 -1.444 -5.334 673 HA3 GLY 85 HA3 GLY 85 1.264 -2.020 -3.928 674 H LEU 86 H LEU 86 3.775 -0.870 -4.124 675 HA LEU 86 HA LEU 86 3.313 1.710 -3.214 676 HB2 LEU 86 HB2 LEU 86 5.277 0.116 -2.828 677 HB3 LEU 86 HB3 LEU 86 5.921 0.716 -4.343 678 HG LEU 86 HG LEU 86 6.831 1.788 -2.255 679 HD11 LEU 86 HD11 LEU 86 7.459 3.305 -3.745 680 HD12 LEU 86 HD12 LEU 86 6.011 2.999 -4.735 681 HD13 LEU 86 HD13 LEU 86 5.955 4.200 -3.422 682 HD21 LEU 86 HD21 LEU 86 4.321 3.427 -2.110 683 HD22 LEU 86 HD22 LEU 86 4.423 1.875 -1.244 684 HD23 LEU 86 HD23 LEU 86 5.591 3.171 -0.889 685 H SER 87 H SER 87 4.266 0.463 -6.459 686 HA SER 87 HA SER 87 4.726 2.959 -7.569 687 HB2 SER 87 HB2 SER 87 4.404 0.181 -8.495 688 HB3 SER 87 HB3 SER 87 3.803 1.339 -9.665 689 HG SER 87 HG SER 87 5.981 1.108 -10.127 690 H LEU 88 H LEU 88 1.816 0.776 -7.776 691 HA LEU 88 HA LEU 88 0.174 2.327 -9.254 692 HB2 LEU 88 HB2 LEU 88 -0.172 0.016 -8.238 693 HB3 LEU 88 HB3 LEU 88 -0.750 0.840 -6.803 694 HG LEU 88 HG LEU 88 -2.336 2.049 -8.581 695 HD11 LEU 88 HD11 LEU 88 -1.213 0.769 -10.461 696 HD12 LEU 88 HD12 LEU 88 -2.033 -0.682 -9.837 697 HD13 LEU 88 HD13 LEU 88 -2.991 0.705 -10.410 698 HD21 LEU 88 HD21 LEU 88 -2.571 -0.140 -6.738 699 HD22 LEU 88 HD22 LEU 88 -3.776 1.087 -7.198 700 HD23 LEU 88 HD23 LEU 88 -3.637 -0.419 -8.136 701 H MET 89 H MET 89 0.871 2.641 -5.726 702 HA MET 89 HA MET 89 -0.975 4.640 -5.255 703 HB2 MET 89 HB2 MET 89 1.571 3.628 -3.978 704 HB3 MET 89 HB3 MET 89 0.983 5.183 -3.424 705 HG2 MET 89 HG2 MET 89 -1.118 3.074 -3.632 706 HG3 MET 89 HG3 MET 89 0.124 2.745 -2.440 707 HE1 MET 89 HE1 MET 89 -3.104 4.350 -3.149 708 HE2 MET 89 HE2 MET 89 -2.979 3.245 -1.759 709 HE3 MET 89 HE3 MET 89 -3.449 4.943 -1.507 710 H MET 90 H MET 90 2.600 4.901 -5.893 711 HA MET 90 HA MET 90 2.789 7.600 -5.819 712 HB2 MET 90 HB2 MET 90 4.648 5.870 -6.115 713 HB3 MET 90 HB3 MET 90 4.190 5.718 -7.799 714 HG2 MET 90 HG2 MET 90 4.470 8.501 -7.432 715 HG3 MET 90 HG3 MET 90 5.778 7.823 -6.483 716 HE1 MET 90 HE1 MET 90 7.561 6.393 -7.234 717 HE2 MET 90 HE2 MET 90 6.656 5.116 -8.081 718 HE3 MET 90 HE3 MET 90 7.983 5.966 -8.909 719 H ILE 91 H ILE 91 2.091 5.543 -8.736 720 HA ILE 91 HA ILE 91 1.905 7.554 -10.586 721 HB ILE 91 HB ILE 91 0.491 4.909 -10.328 722 HG12 ILE 91 HG12 ILE 91 3.061 5.201 -10.664 723 HG13 ILE 91 HG13 ILE 91 2.180 4.022 -11.614 724 HG21 ILE 91 HG21 ILE 91 0.372 6.906 -12.596 725 HG22 ILE 91 HG22 ILE 91 -0.001 5.176 -12.789 726 HG23 ILE 91 HG23 ILE 91 -0.978 6.180 -11.691 727 HD11 ILE 91 HD11 ILE 91 2.594 6.859 -12.626 728 HD12 ILE 91 HD12 ILE 91 3.813 5.587 -12.880 729 HD13 ILE 91 HD13 ILE 91 2.178 5.402 -13.561 730 H LEU 92 H LEU 92 -0.783 6.152 -8.580 731 HA LEU 92 HA LEU 92 -2.755 7.852 -9.480 732 HB2 LEU 92 HB2 LEU 92 -2.329 5.988 -7.298 733 HB3 LEU 92 HB3 LEU 92 -3.311 7.348 -6.792 734 HG LEU 92 HG LEU 92 -4.705 5.509 -7.542 735 HD11 LEU 92 HD11 LEU 92 -5.952 7.351 -7.943 736 HD12 LEU 92 HD12 LEU 92 -4.709 8.113 -8.964 737 HD13 LEU 92 HD13 LEU 92 -5.749 6.834 -9.634 738 HD21 LEU 92 HD21 LEU 92 -2.888 5.556 -9.894 739 HD22 LEU 92 HD22 LEU 92 -3.665 4.188 -9.062 740 HD23 LEU 92 HD23 LEU 92 -4.603 5.188 -10.198 741 H ARG 93 H ARG 93 -0.062 8.412 -7.247 742 HA ARG 93 HA ARG 93 -1.171 10.714 -6.099 743 HB2 ARG 93 HB2 ARG 93 0.904 9.156 -5.411 744 HB3 ARG 93 HB3 ARG 93 1.821 10.317 -6.350 745 HG2 ARG 93 HG2 ARG 93 1.874 11.592 -4.466 746 HG3 ARG 93 HG3 ARG 93 0.197 11.973 -4.804 747 HD2 ARG 93 HD2 ARG 93 0.855 9.424 -3.301 748 HD3 ARG 93 HD3 ARG 93 0.888 10.952 -2.445 749 HE ARG 93 HE ARG 93 -1.544 10.561 -4.039 750 HH11 ARG 93 HH22 ARG 93 -0.010 10.010 -0.920 751 HH12 ARG 93 HH21 ARG 93 -1.510 9.849 -0.068 752 HH21 ARG 93 HH12 ARG 93 -3.522 10.349 -2.915 753 HH22 ARG 93 HH11 ARG 93 -3.521 10.043 -1.210 754 H LEU 94 H LEU 94 0.847 10.009 -8.974 755 HA LEU 94 HA LEU 94 1.860 12.461 -9.567 756 HB2 LEU 94 HB2 LEU 94 2.351 10.414 -10.779 757 HB3 LEU 94 HB3 LEU 94 0.727 10.376 -11.436 758 HG LEU 94 HG LEU 94 1.739 12.897 -12.159 759 HD11 LEU 94 HD11 LEU 94 3.793 11.994 -13.507 760 HD12 LEU 94 HD12 LEU 94 3.983 12.514 -11.815 761 HD13 LEU 94 HD13 LEU 94 3.863 10.781 -12.206 762 HD21 LEU 94 HD21 LEU 94 0.326 10.939 -13.332 763 HD22 LEU 94 HD22 LEU 94 1.090 12.269 -14.234 764 HD23 LEU 94 HD23 LEU 94 1.895 10.684 -14.133 765 H VAL 95 H VAL 95 -1.150 11.262 -11.197 766 HA VAL 95 HA VAL 95 -1.996 13.709 -12.067 767 HB VAL 95 HB VAL 95 -4.234 12.665 -12.170 768 HG11 VAL 95 HG11 VAL 95 -2.887 12.212 -14.036 769 HG12 VAL 95 HG12 VAL 95 -1.805 11.140 -13.114 770 HG13 VAL 95 HG13 VAL 95 -3.454 10.606 -13.518 771 HG21 VAL 95 HG21 VAL 95 -4.361 10.216 -11.484 772 HG22 VAL 95 HG22 VAL 95 -2.889 10.507 -10.526 773 HG23 VAL 95 HG23 VAL 95 -4.380 11.407 -10.162 774 H LEU 96 H LEU 96 -2.444 12.153 -8.862 775 HA LEU 96 HA LEU 96 -4.352 13.662 -7.732 776 HB2 LEU 96 HB2 LEU 96 -2.655 11.830 -6.839 777 HB3 LEU 96 HB3 LEU 96 -1.845 13.235 -6.176 778 HG LEU 96 HG LEU 96 -3.319 12.223 -4.532 779 HD11 LEU 96 HD11 LEU 96 -4.413 14.889 -5.472 780 HD12 LEU 96 HD12 LEU 96 -4.563 14.195 -3.840 781 HD13 LEU 96 HD13 LEU 96 -2.962 14.654 -4.469 782 HD21 LEU 96 HD21 LEU 96 -4.930 11.216 -6.111 783 HD22 LEU 96 HD22 LEU 96 -5.723 12.113 -4.794 784 HD23 LEU 96 HD23 LEU 96 -5.611 12.831 -6.419 785 H LEU 97 H LEU 97 -0.867 14.610 -8.068 786 HA LEU 97 HA LEU 97 -0.852 16.976 -6.812 787 HB2 LEU 97 HB2 LEU 97 1.070 15.976 -7.893 788 HB3 LEU 97 HB3 LEU 97 0.390 16.289 -9.478 789 HG LEU 97 HG LEU 97 0.429 18.802 -8.685 790 HD11 LEU 97 HD11 LEU 97 1.721 19.401 -6.937 791 HD12 LEU 97 HD12 LEU 97 1.347 17.755 -6.371 792 HD13 LEU 97 HD13 LEU 97 2.888 18.082 -7.200 793 HD21 LEU 97 HD21 LEU 97 1.826 17.444 -10.470 794 HD22 LEU 97 HD22 LEU 97 2.268 19.106 -10.009 795 HD23 LEU 97 HD23 LEU 97 3.146 17.724 -9.309 796 H LEU 98 H LEU 98 -2.060 16.412 -10.183 797 HA LEU 98 HA LEU 98 -2.786 19.066 -10.638 798 HB2 LEU 98 HB2 LEU 98 -2.527 17.621 -12.471 799 HB3 LEU 98 HB3 LEU 98 -3.629 16.429 -11.810 800 HG LEU 98 HG LEU 98 -5.043 18.910 -12.154 801 HD11 LEU 98 HD11 LEU 98 -3.043 19.039 -13.893 802 HD12 LEU 98 HD12 LEU 98 -4.112 17.964 -14.826 803 HD13 LEU 98 HD13 LEU 98 -4.692 19.565 -14.309 804 HD21 LEU 98 HD21 LEU 98 -5.250 16.159 -13.395 805 HD22 LEU 98 HD22 LEU 98 -6.195 16.831 -12.045 806 HD23 LEU 98 HD23 LEU 98 -6.418 17.469 -13.692 807 H LEU 99 H LEU 99 -4.879 16.235 -9.717 808 HA LEU 99 HA LEU 99 -7.228 17.491 -9.391 809 HB2 LEU 99 HB2 LEU 99 -5.933 15.120 -8.333 810 HB3 LEU 99 HB3 LEU 99 -7.067 15.796 -7.181 811 HG LEU 99 HG LEU 99 -8.261 15.724 -9.816 812 HD11 LEU 99 HD11 LEU 99 -6.826 13.258 -8.907 813 HD12 LEU 99 HD12 LEU 99 -8.407 13.101 -9.710 814 HD13 LEU 99 HD13 LEU 99 -7.061 13.911 -10.547 815 HD21 LEU 99 HD21 LEU 99 -9.196 15.735 -7.337 816 HD22 LEU 99 HD22 LEU 99 -10.102 14.996 -8.679 817 HD23 LEU 99 HD23 LEU 99 -9.158 13.971 -7.571 Start of MODEL 10 1 H MET 1 H1 MET 1 -24.991 -25.679 -10.071 2 HA MET 1 HA MET 1 -23.536 -24.836 -11.613 3 HB2 MET 1 HB2 MET 1 -22.892 -26.807 -12.993 4 HB3 MET 1 HB3 MET 1 -23.385 -27.338 -11.397 5 HG2 MET 1 HG2 MET 1 -25.803 -27.342 -12.801 6 HG3 MET 1 HG3 MET 1 -24.657 -27.851 -14.025 7 HE1 MET 1 HE1 MET 1 -26.628 -29.781 -13.642 8 HE2 MET 1 HE2 MET 1 -25.126 -30.442 -14.331 9 HE3 MET 1 HE3 MET 1 -25.956 -31.305 -13.014 10 H ASP 2 H ASP 2 -23.217 -23.661 -13.508 11 HA ASP 2 HA ASP 2 -24.884 -24.090 -15.747 12 HB2 ASP 2 HB2 ASP 2 -25.612 -21.550 -15.670 13 HB3 ASP 2 HB3 ASP 2 -26.556 -22.751 -14.811 14 H LEU 3 H LEU 3 -24.298 -22.312 -17.494 15 HA LEU 3 HA LEU 3 -21.558 -21.379 -16.984 16 HB2 LEU 3 HB2 LEU 3 -22.771 -22.821 -19.295 17 HB3 LEU 3 HB3 LEU 3 -21.532 -21.626 -19.623 18 HG LEU 3 HG LEU 3 -20.555 -23.833 -19.494 19 HD11 LEU 3 HD11 LEU 3 -18.689 -23.197 -18.387 20 HD12 LEU 3 HD12 LEU 3 -19.542 -21.635 -18.325 21 HD13 LEU 3 HD13 LEU 3 -19.579 -22.726 -16.919 22 HD21 LEU 3 HD21 LEU 3 -21.443 -24.032 -16.611 23 HD22 LEU 3 HD22 LEU 3 -22.343 -24.759 -17.963 24 HD23 LEU 3 HD23 LEU 3 -20.675 -25.279 -17.623 25 H ILE 4 H ILE 4 -20.940 -19.387 -18.141 26 HA ILE 4 HA ILE 4 -23.026 -17.845 -19.343 27 HB ILE 4 HB ILE 4 -23.492 -17.664 -16.890 28 HG12 ILE 4 HG12 ILE 4 -22.991 -14.898 -17.363 29 HG13 ILE 4 HG13 ILE 4 -23.366 -15.632 -18.909 30 HG21 ILE 4 HG21 ILE 4 -21.873 -17.239 -15.439 31 HG22 ILE 4 HG22 ILE 4 -20.695 -17.161 -16.772 32 HG23 ILE 4 HG23 ILE 4 -21.539 -15.686 -16.243 33 HD11 ILE 4 HD11 ILE 4 -25.077 -15.400 -16.446 34 HD12 ILE 4 HD12 ILE 4 -25.520 -15.197 -18.158 35 HD13 ILE 4 HD13 ILE 4 -25.303 -16.830 -17.483 36 H GLY 5 H GLY 5 -22.182 -15.966 -20.422 37 HA2 GLY 5 HA2 GLY 5 -19.523 -16.280 -21.325 38 HA3 GLY 5 HA3 GLY 5 -20.604 -14.941 -21.656 39 H PHE 6 H PHE 6 -18.197 -13.997 -21.432 40 HA PHE 6 HA PHE 6 -17.322 -13.620 -18.746 41 HB2 PHE 6 HB2 PHE 6 -16.139 -13.587 -21.180 42 HB3 PHE 6 HB3 PHE 6 -16.590 -11.894 -21.152 43 HD1 PHE 6 HD2 PHE 6 -15.198 -14.227 -18.580 44 HD2 PHE 6 HD1 PHE 6 -14.771 -10.570 -20.689 45 HE1 PHE 6 HE2 PHE 6 -13.136 -13.700 -17.248 46 HE2 PHE 6 HE1 PHE 6 -12.709 -10.043 -19.358 47 HZ PHE 6 HZ PHE 6 -11.917 -11.614 -17.653 48 H GLY 7 H GLY 7 -18.795 -11.483 -21.290 49 HA2 GLY 7 HA2 GLY 7 -18.886 -9.082 -20.139 50 HA3 GLY 7 HA3 GLY 7 -20.251 -9.758 -21.008 51 H TYR 8 H TYR 8 -21.350 -11.676 -19.446 52 HA TYR 8 HA TYR 8 -22.832 -10.341 -17.595 53 HB2 TYR 8 HB2 TYR 8 -22.043 -13.125 -18.342 54 HB3 TYR 8 HB3 TYR 8 -22.532 -13.010 -16.663 55 HD1 TYR 8 HD1 TYR 8 -24.838 -12.006 -16.138 56 HD2 TYR 8 HD2 TYR 8 -23.655 -13.211 -20.069 57 HE1 TYR 8 HE1 TYR 8 -27.277 -12.113 -16.847 58 HE2 TYR 8 HE2 TYR 8 -26.098 -13.314 -20.765 59 HH TYR 8 HH TYR 8 -28.427 -13.705 -19.104 60 H ALA 9 H ALA 9 -19.850 -12.322 -16.986 61 HA ALA 9 HA ALA 9 -19.832 -12.013 -14.232 62 HB1 ALA 9 HB1 ALA 9 -17.538 -12.753 -14.386 63 HB2 ALA 9 HB2 ALA 9 -18.465 -13.597 -15.649 64 HB3 ALA 9 HB3 ALA 9 -17.424 -12.219 -16.080 65 H ALA 10 H ALA 10 -18.760 -9.862 -16.880 66 HA ALA 10 HA ALA 10 -17.341 -8.085 -15.187 67 HB1 ALA 10 HB1 ALA 10 -16.627 -7.629 -17.279 68 HB2 ALA 10 HB2 ALA 10 -18.073 -8.361 -18.016 69 HB3 ALA 10 HB3 ALA 10 -18.116 -6.670 -17.460 70 H LEU 11 H LEU 11 -20.729 -8.542 -16.132 71 HA LEU 11 HA LEU 11 -21.575 -5.944 -15.381 72 HB2 LEU 11 HB2 LEU 11 -22.711 -8.380 -16.446 73 HB3 LEU 11 HB3 LEU 11 -23.735 -7.720 -15.186 74 HG LEU 11 HG LEU 11 -22.812 -5.680 -17.080 75 HD11 LEU 11 HD11 LEU 11 -22.892 -7.583 -18.631 76 HD12 LEU 11 HD12 LEU 11 -24.571 -7.908 -18.140 77 HD13 LEU 11 HD13 LEU 11 -24.166 -6.388 -18.973 78 HD21 LEU 11 HD21 LEU 11 -25.677 -6.400 -16.590 79 HD22 LEU 11 HD22 LEU 11 -24.712 -5.711 -15.263 80 HD23 LEU 11 HD23 LEU 11 -24.912 -4.804 -16.781 81 H VAL 12 H VAL 12 -22.218 -9.160 -13.807 82 HA VAL 12 HA VAL 12 -23.151 -8.161 -11.439 83 HB VAL 12 HB VAL 12 -22.490 -10.342 -10.498 84 HG11 VAL 12 HG11 VAL 12 -23.499 -11.551 -12.815 85 HG12 VAL 12 HG12 VAL 12 -24.434 -10.913 -11.441 86 HG13 VAL 12 HG13 VAL 12 -24.122 -9.884 -12.860 87 HG21 VAL 12 HG21 VAL 12 -20.987 -10.616 -13.115 88 HG22 VAL 12 HG22 VAL 12 -20.345 -10.736 -11.460 89 HG23 VAL 12 HG23 VAL 12 -21.426 -12.003 -12.090 90 H THR 13 H THR 13 -19.744 -8.815 -12.445 91 HA THR 13 HA THR 13 -18.524 -8.299 -10.014 92 HB THR 13 HB THR 13 -17.675 -7.920 -12.927 93 HG1 THR 13 HG1 THR 13 -18.148 -10.086 -12.047 94 HG21 THR 13 HG21 THR 13 -15.323 -8.135 -11.929 95 HG22 THR 13 HG22 THR 13 -16.107 -6.565 -11.632 96 HG23 THR 13 HG23 THR 13 -16.045 -7.787 -10.340 97 H PHE 14 H PHE 14 -18.689 -5.922 -12.750 98 HA PHE 14 HA PHE 14 -17.859 -3.750 -11.391 99 HB2 PHE 14 HB2 PHE 14 -18.748 -4.234 -13.871 100 HB3 PHE 14 HB3 PHE 14 -20.293 -3.693 -13.244 101 HD1 PHE 14 HD2 PHE 14 -16.729 -2.563 -13.278 102 HD2 PHE 14 HD1 PHE 14 -20.822 -1.471 -13.525 103 HE1 PHE 14 HE2 PHE 14 -16.067 -0.180 -13.704 104 HE2 PHE 14 HE1 PHE 14 -20.160 0.912 -13.951 105 HZ PHE 14 HZ PHE 14 -17.791 1.529 -14.036 106 H GLY 15 H GLY 15 -21.146 -5.210 -11.347 107 HA2 GLY 15 HA2 GLY 15 -22.470 -3.129 -10.012 108 HA3 GLY 15 HA3 GLY 15 -22.940 -4.816 -10.053 109 H SER 16 H SER 16 -21.917 -6.340 -8.479 110 HA SER 16 HA SER 16 -22.162 -5.606 -5.955 111 HB2 SER 16 HB2 SER 16 -21.533 -7.914 -7.082 112 HB3 SER 16 HB3 SER 16 -19.888 -7.475 -6.665 113 HG SER 16 HG SER 16 -20.850 -7.077 -4.409 114 H ILE 17 H ILE 17 -19.067 -5.479 -7.850 115 HA ILE 17 HA ILE 17 -17.378 -4.627 -5.889 116 HB ILE 17 HB ILE 17 -17.489 -3.920 -8.819 117 HG12 ILE 17 HG12 ILE 17 -17.245 -6.360 -7.949 118 HG13 ILE 17 HG13 ILE 17 -16.190 -5.781 -9.222 119 HG21 ILE 17 HG21 ILE 17 -15.346 -3.365 -6.762 120 HG22 ILE 17 HG22 ILE 17 -15.022 -3.434 -8.511 121 HG23 ILE 17 HG23 ILE 17 -16.152 -2.221 -7.862 122 HD11 ILE 17 HD11 ILE 17 -14.334 -5.538 -7.760 123 HD12 ILE 17 HD12 ILE 17 -15.366 -5.536 -6.310 124 HD13 ILE 17 HD13 ILE 17 -15.108 -7.046 -7.216 125 H PHE 18 H PHE 18 -19.457 -2.564 -8.035 126 HA PHE 18 HA PHE 18 -18.714 -0.147 -6.904 127 HB2 PHE 18 HB2 PHE 18 -20.868 -1.357 -8.577 128 HB3 PHE 18 HB3 PHE 18 -21.437 0.030 -7.670 129 HD1 PHE 18 HD2 PHE 18 -18.306 -0.798 -9.546 130 HD2 PHE 18 HD1 PHE 18 -21.471 1.957 -8.913 131 HE1 PHE 18 HE2 PHE 18 -17.314 0.736 -11.268 132 HE2 PHE 18 HE1 PHE 18 -20.479 3.491 -10.635 133 HZ PHE 18 HZ PHE 18 -18.413 2.862 -11.791 134 H GLY 19 H GLY 19 -21.011 -2.647 -5.823 135 HA2 GLY 19 HA2 GLY 19 -22.358 -0.970 -3.930 136 HA3 GLY 19 HA3 GLY 19 -22.455 -2.713 -4.079 137 H TYR 20 H TYR 20 -19.347 -2.818 -4.016 138 HA TYR 20 HA TYR 20 -18.373 -1.769 -1.664 139 HB2 TYR 20 HB2 TYR 20 -20.367 -3.821 -1.313 140 HB3 TYR 20 HB3 TYR 20 -18.835 -4.615 -1.007 141 HD1 TYR 20 HD2 TYR 20 -17.180 -3.033 0.527 142 HD2 TYR 20 HD1 TYR 20 -21.459 -3.010 0.557 143 HE1 TYR 20 HE2 TYR 20 -17.166 -2.085 2.886 144 HE2 TYR 20 HE1 TYR 20 -21.430 -2.062 2.916 145 HH TYR 20 HH TYR 20 -19.962 -2.005 4.813 146 H LYS 21 H LYS 21 -18.478 -5.197 -2.875 147 HA LYS 21 HA LYS 21 -16.106 -4.983 -4.338 148 HB2 LYS 21 HB2 LYS 21 -14.534 -6.154 -2.891 149 HB3 LYS 21 HB3 LYS 21 -15.035 -4.638 -2.170 150 HG2 LYS 21 HG2 LYS 21 -16.889 -6.116 -0.983 151 HG3 LYS 21 HG3 LYS 21 -15.835 -7.456 -1.389 152 HD2 LYS 21 HD2 LYS 21 -14.106 -6.715 0.016 153 HD3 LYS 21 HD3 LYS 21 -14.593 -5.035 -0.086 154 HE2 LYS 21 HE2 LYS 21 -16.780 -5.867 1.168 155 HE3 LYS 21 HE3 LYS 21 -15.794 -7.249 1.601 156 HZ1 LYS 21 HZ1 LYS 21 -14.591 -6.016 2.983 157 HZ2 LYS 21 HZ2 LYS 21 -14.501 -4.729 1.982 158 HZ3 LYS 21 HZ3 LYS 21 -15.820 -4.942 2.921 159 H ARG 22 H ARG 22 -15.165 -7.687 -3.913 160 HA ARG 22 HA ARG 22 -17.553 -9.058 -4.850 161 HB2 ARG 22 HB2 ARG 22 -15.132 -8.736 -6.146 162 HB3 ARG 22 HB3 ARG 22 -14.875 -10.284 -5.367 163 HG2 ARG 22 HG2 ARG 22 -17.500 -9.865 -6.785 164 HG3 ARG 22 HG3 ARG 22 -16.071 -10.073 -7.778 165 HD2 ARG 22 HD2 ARG 22 -15.629 -12.257 -6.907 166 HD3 ARG 22 HD3 ARG 22 -16.644 -12.004 -5.501 167 HE ARG 22 HE ARG 22 -18.453 -11.752 -7.551 168 HH11 ARG 22 HH22 ARG 22 -16.028 -14.194 -6.820 169 HH12 ARG 22 HH21 ARG 22 -16.914 -15.481 -7.566 170 HH21 ARG 22 HH12 ARG 22 -19.623 -13.450 -8.536 171 HH22 ARG 22 HH11 ARG 22 -18.973 -15.055 -8.549 172 H ARG 23 H ARG 23 -14.480 -9.442 -2.959 173 HA ARG 23 HA ARG 23 -15.503 -10.572 -0.794 174 HB2 ARG 23 HB2 ARG 23 -15.680 -12.479 -2.988 175 HB3 ARG 23 HB3 ARG 23 -14.565 -13.100 -1.786 176 HG2 ARG 23 HG2 ARG 23 -16.976 -11.925 -0.556 177 HG3 ARG 23 HG3 ARG 23 -17.370 -13.222 -1.667 178 HD2 ARG 23 HD2 ARG 23 -15.283 -14.399 -0.363 179 HD3 ARG 23 HD3 ARG 23 -15.833 -13.329 0.911 180 HE ARG 23 HE ARG 23 -18.135 -14.600 -0.176 181 HH11 ARG 23 HH22 ARG 23 -15.240 -15.460 1.629 182 HH12 ARG 23 HH21 ARG 23 -15.977 -16.817 2.413 183 HH21 ARG 23 HH12 ARG 23 -19.108 -16.391 0.857 184 HH22 ARG 23 HH11 ARG 23 -18.192 -17.351 1.970 185 H GLY 24 H GLY 24 -13.741 -9.931 0.420 186 HA2 GLY 24 HA2 GLY 24 -11.588 -9.542 0.992 187 HA3 GLY 24 HA3 GLY 24 -11.406 -11.255 0.671 188 H GLY 25 H GLY 25 -9.327 -11.242 -0.228 189 HA2 GLY 25 HA2 GLY 25 -8.838 -11.098 -2.823 190 HA3 GLY 25 HA3 GLY 25 -8.756 -9.396 -2.414 191 H VAL 26 H VAL 26 -7.630 -12.535 -0.945 192 HA VAL 26 HA VAL 26 -5.668 -13.161 -0.146 193 HB VAL 26 HB VAL 26 -4.665 -10.976 -1.977 194 HG11 VAL 26 HG11 VAL 26 -2.467 -11.637 -1.637 195 HG12 VAL 26 HG12 VAL 26 -3.141 -11.745 0.008 196 HG13 VAL 26 HG13 VAL 26 -2.933 -13.219 -0.968 197 HG21 VAL 26 HG21 VAL 26 -4.929 -13.982 -2.294 198 HG22 VAL 26 HG22 VAL 26 -5.788 -12.715 -3.201 199 HG23 VAL 26 HG23 VAL 26 -4.035 -12.931 -3.418 200 HA PRO 27 HA PRO 27 -5.115 -10.564 3.273 201 HB2 PRO 27 HB2 PRO 27 -3.177 -11.953 4.609 202 HB3 PRO 27 HB3 PRO 27 -4.878 -12.368 4.684 203 HG2 PRO 27 HG2 PRO 27 -2.704 -13.720 3.207 204 HG3 PRO 27 HG3 PRO 27 -4.286 -14.337 3.640 205 HD2 PRO 27 HD2 PRO 27 -3.452 -13.416 1.055 206 HD3 PRO 27 HD3 PRO 27 -5.064 -13.923 1.517 207 H SER 28 H SER 28 -3.107 -9.707 4.747 208 HA SER 28 HA SER 28 -1.353 -8.421 4.793 209 HB2 SER 28 HB2 SER 28 -0.481 -9.084 1.981 210 HB3 SER 28 HB3 SER 28 0.504 -8.795 3.401 211 HG SER 28 HG SER 28 -0.890 -10.924 4.076 212 H LEU 29 H LEU 29 -2.471 -8.433 1.321 213 HA LEU 29 HA LEU 29 -1.997 -5.871 0.664 214 HB2 LEU 29 HB2 LEU 29 -3.540 -8.009 -0.312 215 HB3 LEU 29 HB3 LEU 29 -4.619 -6.629 -0.271 216 HG LEU 29 HG LEU 29 -2.438 -5.490 -1.426 217 HD11 LEU 29 HD11 LEU 29 -2.387 -7.912 -3.061 218 HD12 LEU 29 HD12 LEU 29 -1.053 -6.889 -2.474 219 HD13 LEU 29 HD13 LEU 29 -1.726 -8.160 -1.426 220 HD21 LEU 29 HD21 LEU 29 -4.872 -6.834 -2.559 221 HD22 LEU 29 HD22 LEU 29 -4.486 -5.102 -2.421 222 HD23 LEU 29 HD23 LEU 29 -3.664 -6.103 -3.643 223 H ILE 30 H ILE 30 -4.917 -7.088 2.435 224 HA ILE 30 HA ILE 30 -6.266 -4.729 2.663 225 HB ILE 30 HB ILE 30 -7.204 -5.705 4.748 226 HG12 ILE 30 HG12 ILE 30 -4.997 -7.716 4.309 227 HG13 ILE 30 HG13 ILE 30 -5.380 -6.810 5.760 228 HG21 ILE 30 HG21 ILE 30 -7.037 -7.756 2.535 229 HG22 ILE 30 HG22 ILE 30 -8.389 -7.427 3.646 230 HG23 ILE 30 HG23 ILE 30 -7.962 -6.242 2.389 231 HD11 ILE 30 HD11 ILE 30 -6.284 -8.930 6.239 232 HD12 ILE 30 HD12 ILE 30 -7.706 -8.046 5.634 233 HD13 ILE 30 HD13 ILE 30 -6.840 -9.178 4.567 234 H ALA 31 H ALA 31 -3.671 -6.013 4.847 235 HA ALA 31 HA ALA 31 -3.670 -3.900 6.628 236 HB1 ALA 31 HB1 ALA 31 -1.073 -5.182 5.881 237 HB2 ALA 31 HB2 ALA 31 -1.807 -4.935 7.484 238 HB3 ALA 31 HB3 ALA 31 -2.380 -6.255 6.436 239 H GLY 32 H GLY 32 -2.185 -4.263 3.386 240 HA2 GLY 32 HA2 GLY 32 -0.555 -1.948 3.524 241 HA3 GLY 32 HA3 GLY 32 -1.053 -2.814 2.085 242 H LEU 33 H LEU 33 -3.993 -2.553 2.770 243 HA LEU 33 HA LEU 33 -4.384 -0.056 1.469 244 HB2 LEU 33 HB2 LEU 33 -5.908 -2.434 2.125 245 HB3 LEU 33 HB3 LEU 33 -6.839 -0.980 2.425 246 HG LEU 33 HG LEU 33 -5.564 -0.680 -0.115 247 HD11 LEU 33 HD11 LEU 33 -5.278 -2.892 -0.609 248 HD12 LEU 33 HD12 LEU 33 -6.626 -3.420 0.427 249 HD13 LEU 33 HD13 LEU 33 -6.959 -2.674 -1.154 250 HD21 LEU 33 HD21 LEU 33 -8.478 -1.210 0.522 251 HD22 LEU 33 HD22 LEU 33 -7.673 0.369 0.685 252 HD23 LEU 33 HD23 LEU 33 -7.814 -0.398 -0.915 253 H PHE 34 H PHE 34 -5.176 -1.354 4.765 254 HA PHE 34 HA PHE 34 -6.283 0.962 5.763 255 HB2 PHE 34 HB2 PHE 34 -4.933 -1.544 6.721 256 HB3 PHE 34 HB3 PHE 34 -4.904 -0.240 7.891 257 HD1 PHE 34 HD1 PHE 34 -7.228 0.932 8.311 258 HD2 PHE 34 HD2 PHE 34 -6.766 -2.954 6.671 259 HE1 PHE 34 HE1 PHE 34 -9.571 0.359 9.008 260 HE2 PHE 34 HE2 PHE 34 -9.108 -3.527 7.367 261 HZ PHE 34 HZ PHE 34 -10.483 -1.863 8.527 262 H VAL 35 H VAL 35 -2.830 -0.135 5.760 263 HA VAL 35 HA VAL 35 -1.853 2.007 7.257 264 HB VAL 35 HB VAL 35 -0.675 0.070 5.283 265 HG11 VAL 35 HG11 VAL 35 0.970 1.558 4.882 266 HG12 VAL 35 HG12 VAL 35 0.517 2.585 6.264 267 HG13 VAL 35 HG13 VAL 35 1.523 1.139 6.521 268 HG21 VAL 35 HG21 VAL 35 -1.386 -0.231 7.896 269 HG22 VAL 35 HG22 VAL 35 -0.104 -1.165 7.088 270 HG23 VAL 35 HG23 VAL 35 0.316 0.262 8.066 271 H GLY 36 H GLY 36 -1.631 1.484 3.661 272 HA2 GLY 36 HA2 GLY 36 -0.658 3.889 2.890 273 HA3 GLY 36 HA3 GLY 36 -1.825 2.964 1.966 274 H CYS 37 H CYS 37 -4.094 3.105 3.725 275 HA CYS 37 HA CYS 37 -5.164 5.533 2.928 276 HB2 CYS 37 HB2 CYS 37 -6.110 3.168 4.109 277 HB3 CYS 37 HB3 CYS 37 -6.520 4.428 5.255 278 HG CYS 37 HG CYS 37 -7.486 3.817 2.226 279 H LEU 38 H LEU 38 -4.328 4.377 6.287 280 HA LEU 38 HA LEU 38 -4.723 6.622 7.691 281 HB2 LEU 38 HB2 LEU 38 -3.192 4.223 7.958 282 HB3 LEU 38 HB3 LEU 38 -2.237 5.560 8.568 283 HG LEU 38 HG LEU 38 -3.491 4.538 10.365 284 HD11 LEU 38 HD11 LEU 38 -3.127 6.831 10.733 285 HD12 LEU 38 HD12 LEU 38 -4.387 7.309 9.570 286 HD13 LEU 38 HD13 LEU 38 -4.843 6.562 11.121 287 HD21 LEU 38 HD21 LEU 38 -5.958 4.577 10.422 288 HD22 LEU 38 HD22 LEU 38 -5.972 5.164 8.741 289 HD23 LEU 38 HD23 LEU 38 -5.317 3.552 9.115 290 H ALA 39 H ALA 39 -1.949 5.935 5.509 291 HA ALA 39 HA ALA 39 -0.438 8.179 6.189 292 HB1 ALA 39 HB1 ALA 39 0.788 7.682 4.188 293 HB2 ALA 39 HB2 ALA 39 0.242 6.123 4.850 294 HB3 ALA 39 HB3 ALA 39 -0.607 6.847 3.463 295 H GLY 40 H GLY 40 -2.524 7.697 3.244 296 HA2 GLY 40 HA2 GLY 40 -2.508 10.314 2.373 297 HA3 GLY 40 HA3 GLY 40 -3.781 9.148 2.075 298 H TYR 41 H TYR 41 -5.289 8.741 4.113 299 HA TYR 41 HA TYR 41 -6.845 10.838 4.583 300 HB2 TYR 41 HB2 TYR 41 -6.068 8.297 5.891 301 HB3 TYR 41 HB3 TYR 41 -6.590 9.458 7.094 302 HD1 TYR 41 HD1 TYR 41 -7.799 8.695 3.618 303 HD2 TYR 41 HD2 TYR 41 -8.746 8.955 7.783 304 HE1 TYR 41 HE1 TYR 41 -10.228 8.141 3.108 305 HE2 TYR 41 HE2 TYR 41 -11.171 8.400 7.258 306 HH TYR 41 HH TYR 41 -12.397 7.206 5.473 307 H GLY 42 H GLY 42 -4.163 9.898 6.859 308 HA2 GLY 42 HA2 GLY 42 -4.378 12.012 8.609 309 HA3 GLY 42 HA3 GLY 42 -2.900 11.146 8.238 310 H ALA 43 H ALA 43 -2.330 11.781 5.609 311 HA ALA 43 HA ALA 43 -1.140 14.249 5.800 312 HB1 ALA 43 HB1 ALA 43 -0.308 13.693 3.760 313 HB2 ALA 43 HB2 ALA 43 -1.121 12.136 4.048 314 HB3 ALA 43 HB3 ALA 43 -1.922 13.391 3.074 315 H TYR 44 H TYR 44 -4.449 13.353 4.870 316 HA TYR 44 HA TYR 44 -5.007 15.971 3.795 317 HB2 TYR 44 HB2 TYR 44 -6.187 13.246 4.092 318 HB3 TYR 44 HB3 TYR 44 -7.383 14.501 4.349 319 HD1 TYR 44 HD2 TYR 44 -4.644 13.663 1.916 320 HD2 TYR 44 HD1 TYR 44 -8.576 15.241 2.504 321 HE1 TYR 44 HE2 TYR 44 -4.924 13.919 -0.597 322 HE2 TYR 44 HE1 TYR 44 -8.843 15.492 -0.012 323 HH TYR 44 HH TYR 44 -6.329 15.453 -2.103 324 H ARG 45 H ARG 45 -5.299 14.215 6.871 325 HA ARG 45 HA ARG 45 -7.282 15.742 8.002 326 HB2 ARG 45 HB2 ARG 45 -5.643 13.627 8.799 327 HB3 ARG 45 HB3 ARG 45 -5.110 14.917 9.859 328 HG2 ARG 45 HG2 ARG 45 -6.881 14.098 11.122 329 HG3 ARG 45 HG3 ARG 45 -7.733 15.313 10.191 330 HD2 ARG 45 HD2 ARG 45 -8.242 13.467 8.464 331 HD3 ARG 45 HD3 ARG 45 -7.616 12.316 9.628 332 HE ARG 45 HE ARG 45 -9.521 12.647 10.984 333 HH11 ARG 45 HH22 ARG 45 -9.433 15.036 8.401 334 HH12 ARG 45 HH21 ARG 45 -11.050 15.590 8.685 335 HH21 ARG 45 HH12 ARG 45 -11.654 13.377 11.358 336 HH22 ARG 45 HH11 ARG 45 -12.322 14.639 10.378 337 H VAL 46 H VAL 46 -3.803 16.333 7.510 338 HA VAL 46 HA VAL 46 -2.553 18.136 7.769 339 HB VAL 46 HB VAL 46 -5.139 19.602 8.326 340 HG11 VAL 46 HG11 VAL 46 -3.459 21.333 7.002 341 HG12 VAL 46 HG12 VAL 46 -3.722 21.294 8.762 342 HG13 VAL 46 HG13 VAL 46 -2.332 20.440 8.051 343 HG21 VAL 46 HG21 VAL 46 -3.900 19.734 5.634 344 HG22 VAL 46 HG22 VAL 46 -4.653 18.180 6.068 345 HG23 VAL 46 HG23 VAL 46 -5.614 19.678 6.111 346 H SER 47 H SER 47 -2.440 16.430 9.828 347 HA SER 47 HA SER 47 -2.807 18.099 12.187 348 HB2 SER 47 HB2 SER 47 -2.336 15.723 13.308 349 HB3 SER 47 HB3 SER 47 -3.935 16.154 12.734 350 HG SER 47 HG SER 47 -2.492 14.049 11.989 351 H ASN 48 H ASN 48 -0.537 15.926 10.408 352 HA ASN 48 HA ASN 48 1.568 16.548 12.238 353 HB2 ASN 48 HB2 ASN 48 1.022 14.468 10.389 354 HB3 ASN 48 HB3 ASN 48 2.386 15.315 9.684 355 HD21 ASN 48 HD21 ASN 48 3.852 13.719 10.054 356 HD22 ASN 48 HD22 ASN 48 4.445 13.277 11.620 357 H ASP 49 H ASP 49 0.238 17.621 9.138 358 HA ASP 49 HA ASP 49 0.815 19.117 7.675 359 HB2 ASP 49 HB2 ASP 49 1.973 20.224 10.231 360 HB3 ASP 49 HB3 ASP 49 2.377 21.044 8.736 361 H LYS 50 H LYS 50 2.193 17.457 6.545 362 HA LYS 50 HA LYS 50 5.063 17.858 6.983 363 HB2 LYS 50 HB2 LYS 50 5.375 15.703 5.922 364 HB3 LYS 50 HB3 LYS 50 4.245 15.557 7.252 365 HG2 LYS 50 HG2 LYS 50 2.332 15.671 5.645 366 HG3 LYS 50 HG3 LYS 50 3.457 15.833 4.312 367 HD2 LYS 50 HD2 LYS 50 4.424 13.608 4.807 368 HD3 LYS 50 HD3 LYS 50 3.404 13.450 6.223 369 HE2 LYS 50 HE2 LYS 50 1.627 14.064 4.085 370 HE3 LYS 50 HE3 LYS 50 2.760 12.902 3.424 371 HZ1 LYS 50 HZ1 LYS 50 1.686 12.368 6.060 372 HZ2 LYS 50 HZ2 LYS 50 0.689 12.159 4.783 373 HZ3 LYS 50 HZ3 LYS 50 2.089 11.323 4.871 374 H ARG 51 H ARG 51 5.951 16.943 4.445 375 HA ARG 51 HA ARG 51 4.903 19.093 2.784 376 HB2 ARG 51 HB2 ARG 51 7.374 19.173 3.718 377 HB3 ARG 51 HB3 ARG 51 7.710 17.954 2.505 378 HG2 ARG 51 HG2 ARG 51 8.006 19.668 1.042 379 HG3 ARG 51 HG3 ARG 51 6.264 19.855 1.058 380 HD2 ARG 51 HD2 ARG 51 6.365 21.798 2.266 381 HD3 ARG 51 HD3 ARG 51 7.543 21.146 3.388 382 HE ARG 51 HE ARG 51 8.110 22.781 1.067 383 HH11 ARG 51 HH22 ARG 51 9.414 20.150 3.006 384 HH12 ARG 51 HH21 ARG 51 11.062 20.494 2.596 385 HH21 ARG 51 HH12 ARG 51 10.283 23.235 0.525 386 HH22 ARG 51 HH11 ARG 51 11.559 22.261 1.175 387 H ASP 52 H ASP 52 7.009 16.139 2.399 388 HA ASP 52 HA ASP 52 5.497 15.545 0.000 389 HB2 ASP 52 HB2 ASP 52 8.100 14.363 1.080 390 HB3 ASP 52 HB3 ASP 52 7.371 13.928 -0.452 391 H VAL 53 H VAL 53 5.122 13.055 -0.362 392 HA VAL 53 HA VAL 53 3.868 12.025 2.011 393 HB VAL 53 HB VAL 53 4.097 10.611 -0.629 394 HG11 VAL 53 HG11 VAL 53 3.000 9.539 1.367 395 HG12 VAL 53 HG12 VAL 53 1.773 10.827 1.309 396 HG13 VAL 53 HG13 VAL 53 1.950 9.704 -0.061 397 HG21 VAL 53 HG21 VAL 53 3.416 12.592 -1.554 398 HG22 VAL 53 HG22 VAL 53 1.833 11.957 -1.045 399 HG23 VAL 53 HG23 VAL 53 2.668 13.172 -0.047 400 H LYS 54 H LYS 54 6.099 11.985 3.122 401 HA LYS 54 HA LYS 54 7.868 9.909 2.254 402 HB2 LYS 54 HB2 LYS 54 9.211 10.546 4.141 403 HB3 LYS 54 HB3 LYS 54 8.644 11.998 3.340 404 HG2 LYS 54 HG2 LYS 54 6.606 11.585 5.156 405 HG3 LYS 54 HG3 LYS 54 7.971 10.940 6.046 406 HD2 LYS 54 HD2 LYS 54 9.099 13.245 5.093 407 HD3 LYS 54 HD3 LYS 54 7.425 13.755 5.179 408 HE2 LYS 54 HE2 LYS 54 7.292 13.365 7.532 409 HE3 LYS 54 HE3 LYS 54 8.705 12.328 7.535 410 HZ1 LYS 54 HZ1 LYS 54 9.735 14.176 8.161 411 HZ2 LYS 54 HZ2 LYS 54 9.689 14.617 6.589 412 HZ3 LYS 54 HZ3 LYS 54 8.560 15.177 7.627 413 H VAL 55 H VAL 55 5.218 10.322 4.619 414 HA VAL 55 HA VAL 55 5.555 8.235 6.277 415 HB VAL 55 HB VAL 55 3.042 9.190 4.897 416 HG11 VAL 55 HG11 VAL 55 3.282 6.824 6.315 417 HG12 VAL 55 HG12 VAL 55 2.719 7.979 7.546 418 HG13 VAL 55 HG13 VAL 55 1.779 7.742 6.053 419 HG21 VAL 55 HG21 VAL 55 2.800 10.738 6.591 420 HG22 VAL 55 HG22 VAL 55 3.781 9.799 7.741 421 HG23 VAL 55 HG23 VAL 55 4.572 10.701 6.425 422 H SER 56 H SER 56 3.951 8.030 3.019 423 HA SER 56 HA SER 56 3.462 5.391 2.990 424 HB2 SER 56 HB2 SER 56 4.221 7.367 0.839 425 HB3 SER 56 HB3 SER 56 4.069 5.677 0.402 426 HG SER 56 HG SER 56 1.918 5.736 0.697 427 H LEU 57 H LEU 57 6.558 7.065 2.137 428 HA LEU 57 HA LEU 57 7.960 4.847 1.274 429 HB2 LEU 57 HB2 LEU 57 8.442 7.494 1.501 430 HB3 LEU 57 HB3 LEU 57 9.425 6.899 2.824 431 HG LEU 57 HG LEU 57 10.723 7.152 0.769 432 HD11 LEU 57 HD11 LEU 57 10.692 4.933 2.464 433 HD12 LEU 57 HD12 LEU 57 10.845 4.256 0.825 434 HD13 LEU 57 HD13 LEU 57 12.019 5.463 1.402 435 HD21 LEU 57 HD21 LEU 57 9.679 4.876 -0.700 436 HD22 LEU 57 HD22 LEU 57 8.453 6.153 -0.507 437 HD23 LEU 57 HD23 LEU 57 10.026 6.534 -1.249 438 H PHE 58 H PHE 58 7.393 6.122 4.594 439 HA PHE 58 HA PHE 58 9.104 4.232 5.818 440 HB2 PHE 58 HB2 PHE 58 7.016 6.293 6.515 441 HB3 PHE 58 HB3 PHE 58 7.247 5.046 7.724 442 HD1 PHE 58 HD1 PHE 58 9.627 4.668 8.599 443 HD2 PHE 58 HD2 PHE 58 8.490 8.107 6.388 444 HE1 PHE 58 HE1 PHE 58 11.623 5.901 9.490 445 HE2 PHE 58 HE2 PHE 58 10.486 9.340 7.279 446 HZ PHE 58 HZ PHE 58 12.029 8.222 8.819 447 H THR 59 H THR 59 5.817 4.142 4.582 448 HA THR 59 HA THR 59 4.933 2.007 6.268 449 HB THR 59 HB THR 59 3.919 3.764 4.122 450 HG1 THR 59 HG1 THR 59 2.963 3.852 6.170 451 HG21 THR 59 HG21 THR 59 2.845 0.903 4.335 452 HG22 THR 59 HG22 THR 59 2.148 2.222 3.364 453 HG23 THR 59 HG23 THR 59 3.731 1.535 2.926 454 H ALA 60 H ALA 60 6.064 2.222 2.832 455 HA ALA 60 HA ALA 60 5.869 -0.534 2.379 456 HB1 ALA 60 HB1 ALA 60 6.390 1.735 0.898 457 HB2 ALA 60 HB2 ALA 60 7.975 0.926 0.910 458 HB3 ALA 60 HB3 ALA 60 6.542 0.066 0.299 459 H PHE 61 H PHE 61 8.637 1.584 3.381 460 HA PHE 61 HA PHE 61 10.571 -0.373 3.439 461 HB2 PHE 61 HB2 PHE 61 10.472 2.282 3.871 462 HB3 PHE 61 HB3 PHE 61 10.288 1.817 5.550 463 HD1 PHE 61 HD1 PHE 61 12.463 0.684 2.722 464 HD2 PHE 61 HD2 PHE 61 12.237 2.020 6.743 465 HE1 PHE 61 HE1 PHE 61 14.954 0.467 2.934 466 HE2 PHE 61 HE2 PHE 61 14.729 1.802 6.955 467 HZ PHE 61 HZ PHE 61 16.058 1.028 5.048 468 H PHE 62 H PHE 62 8.393 0.753 6.122 469 HA PHE 62 HA PHE 62 9.410 -1.040 8.009 470 HB2 PHE 62 HB2 PHE 62 8.047 1.000 8.500 471 HB3 PHE 62 HB3 PHE 62 6.697 0.348 7.593 472 HD1 PHE 62 HD1 PHE 62 8.746 -0.184 10.636 473 HD2 PHE 62 HD2 PHE 62 5.100 -1.029 8.637 474 HE1 PHE 62 HE1 PHE 62 7.834 -1.214 12.735 475 HE2 PHE 62 HE2 PHE 62 4.188 -2.060 10.736 476 HZ PHE 62 HZ PHE 62 5.566 -2.140 12.760 477 H LEU 63 H LEU 63 6.809 -1.296 5.550 478 HA LEU 63 HA LEU 63 5.597 -3.595 6.528 479 HB2 LEU 63 HB2 LEU 63 5.612 -2.006 4.091 480 HB3 LEU 63 HB3 LEU 63 5.411 -3.715 3.757 481 HG LEU 63 HG LEU 63 3.692 -2.953 5.948 482 HD11 LEU 63 HD11 LEU 63 3.205 -0.840 5.384 483 HD12 LEU 63 HD12 LEU 63 3.907 -1.002 3.757 484 HD13 LEU 63 HD13 LEU 63 2.253 -1.577 4.074 485 HD21 LEU 63 HD21 LEU 63 2.024 -3.608 3.923 486 HD22 LEU 63 HD22 LEU 63 3.539 -4.334 3.335 487 HD23 LEU 63 HD23 LEU 63 2.890 -4.795 4.927 488 H ALA 64 H ALA 64 7.801 -3.493 3.644 489 HA ALA 64 HA ALA 64 8.314 -6.148 3.500 490 HB1 ALA 64 HB1 ALA 64 9.081 -4.043 2.088 491 HB2 ALA 64 HB2 ALA 64 10.559 -4.190 3.068 492 HB3 ALA 64 HB3 ALA 64 10.028 -5.550 2.050 493 H THR 65 H THR 65 9.941 -3.697 5.596 494 HA THR 65 HA THR 65 11.962 -5.245 6.615 495 HB THR 65 HB THR 65 10.238 -2.974 7.669 496 HG1 THR 65 HG1 THR 65 11.871 -2.321 6.252 497 HG21 THR 65 HG21 THR 65 10.973 -4.257 9.695 498 HG22 THR 65 HG22 THR 65 12.639 -4.268 9.069 499 HG23 THR 65 HG23 THR 65 11.874 -2.730 9.537 500 H ILE 66 H ILE 66 8.532 -5.077 7.746 501 HA ILE 66 HA ILE 66 8.994 -6.977 9.802 502 HB ILE 66 HB ILE 66 7.229 -5.183 9.725 503 HG12 ILE 66 HG12 ILE 66 5.700 -7.627 10.300 504 HG13 ILE 66 HG13 ILE 66 7.305 -7.628 11.006 505 HG21 ILE 66 HG21 ILE 66 6.338 -6.835 7.468 506 HG22 ILE 66 HG22 ILE 66 5.053 -6.448 8.637 507 HG23 ILE 66 HG23 ILE 66 5.982 -5.138 7.869 508 HD11 ILE 66 HD11 ILE 66 6.842 -5.867 12.426 509 HD12 ILE 66 HD12 ILE 66 5.764 -5.070 11.255 510 HD13 ILE 66 HD13 ILE 66 5.176 -6.454 12.207 511 H MET 67 H MET 67 8.250 -7.109 6.350 512 HA MET 67 HA MET 67 7.134 -9.640 6.295 513 HB2 MET 67 HB2 MET 67 7.459 -7.736 4.456 514 HB3 MET 67 HB3 MET 67 8.966 -8.560 4.111 515 HG2 MET 67 HG2 MET 67 7.654 -10.714 3.796 516 HG3 MET 67 HG3 MET 67 6.174 -9.801 4.010 517 HE1 MET 67 HE1 MET 67 5.594 -10.334 0.620 518 HE2 MET 67 HE2 MET 67 7.146 -11.206 0.585 519 HE3 MET 67 HE3 MET 67 6.085 -11.333 2.009 520 H GLY 68 H GLY 68 10.571 -8.538 5.991 521 HA2 GLY 68 HA2 GLY 68 11.889 -10.403 7.322 522 HA3 GLY 68 HA3 GLY 68 11.486 -11.307 5.876 523 H VAL 69 H VAL 69 12.524 -10.856 3.890 524 HA VAL 69 HA VAL 69 14.860 -9.138 4.174 525 HB VAL 69 HB VAL 69 15.736 -10.326 2.300 526 HG11 VAL 69 HG11 VAL 69 16.239 -11.676 4.067 527 HG12 VAL 69 HG12 VAL 69 14.537 -11.879 4.544 528 HG13 VAL 69 HG13 VAL 69 15.193 -12.806 3.174 529 HG21 VAL 69 HG21 VAL 69 14.074 -10.636 0.730 530 HG22 VAL 69 HG22 VAL 69 14.221 -12.284 1.386 531 HG23 VAL 69 HG23 VAL 69 12.897 -11.224 1.928 532 H ARG 70 H ARG 70 15.469 -7.757 2.249 533 HA ARG 70 HA ARG 70 13.025 -6.698 1.070 534 HB2 ARG 70 HB2 ARG 70 13.937 -4.466 1.225 535 HB3 ARG 70 HB3 ARG 70 14.199 -5.206 2.792 536 HG2 ARG 70 HG2 ARG 70 16.487 -5.907 1.267 537 HG3 ARG 70 HG3 ARG 70 16.171 -4.233 0.856 538 HD2 ARG 70 HD2 ARG 70 17.360 -3.803 2.777 539 HD3 ARG 70 HD3 ARG 70 15.823 -4.097 3.566 540 HE ARG 70 HE ARG 70 16.907 -6.637 3.344 541 HH11 ARG 70 HH22 ARG 70 18.074 -3.597 4.678 542 HH12 ARG 70 HH21 ARG 70 19.076 -4.357 5.869 543 HH21 ARG 70 HH12 ARG 70 18.229 -7.640 4.915 544 HH22 ARG 70 HH11 ARG 70 19.165 -6.672 6.004 545 H PHE 71 H PHE 71 15.387 -8.698 0.299 546 HA PHE 71 HA PHE 71 15.732 -7.542 -2.365 547 HB2 PHE 71 HB2 PHE 71 17.794 -7.228 -0.901 548 HB3 PHE 71 HB3 PHE 71 17.815 -8.952 -0.589 549 HD1 PHE 71 HD1 PHE 71 17.675 -6.708 -3.580 550 HD2 PHE 71 HD2 PHE 71 19.370 -10.154 -1.775 551 HE1 PHE 71 HE1 PHE 71 19.121 -7.056 -5.602 552 HE2 PHE 71 HE2 PHE 71 20.815 -10.502 -3.798 553 HZ PHE 71 HZ PHE 71 20.674 -8.949 -5.687 554 H LYS 72 H LYS 72 13.776 -9.113 -2.509 555 HA LYS 72 HA LYS 72 14.666 -11.441 -3.795 556 HB2 LYS 72 HB2 LYS 72 15.117 -12.362 -1.634 557 HB3 LYS 72 HB3 LYS 72 13.583 -11.809 -0.994 558 HG2 LYS 72 HG2 LYS 72 12.886 -13.337 -3.273 559 HG3 LYS 72 HG3 LYS 72 14.186 -14.241 -2.523 560 HD2 LYS 72 HD2 LYS 72 12.037 -13.162 -0.711 561 HD3 LYS 72 HD3 LYS 72 11.607 -14.505 -1.750 562 HE2 LYS 72 HE2 LYS 72 14.208 -15.017 -0.543 563 HE3 LYS 72 HE3 LYS 72 13.058 -14.601 0.712 564 HZ1 LYS 72 HZ1 LYS 72 11.839 -16.424 0.290 565 HZ2 LYS 72 HZ2 LYS 72 12.141 -16.439 -1.315 566 HZ3 LYS 72 HZ3 LYS 72 13.258 -17.010 -0.269 567 H ARG 73 H ARG 73 13.216 -11.703 -5.403 568 HA ARG 73 HA ARG 73 10.490 -10.888 -4.783 569 HB2 ARG 73 HB2 ARG 73 12.244 -10.293 -7.171 570 HB3 ARG 73 HB3 ARG 73 10.525 -10.487 -7.452 571 HG2 ARG 73 HG2 ARG 73 10.077 -8.435 -6.592 572 HG3 ARG 73 HG3 ARG 73 10.935 -8.807 -5.110 573 HD2 ARG 73 HD2 ARG 73 12.039 -6.900 -6.149 574 HD3 ARG 73 HD3 ARG 73 13.115 -8.277 -6.283 575 HE ARG 73 HE ARG 73 11.427 -8.152 -8.612 576 HH11 ARG 73 HH22 ARG 73 14.175 -6.533 -7.125 577 HH12 ARG 73 HH21 ARG 73 14.822 -5.971 -8.631 578 HH21 ARG 73 HH12 ARG 73 12.280 -7.411 -10.599 579 HH22 ARG 73 HH11 ARG 73 13.736 -6.474 -10.620 580 H SER 74 H SER 74 9.975 -13.139 -4.272 581 HA SER 74 HA SER 74 8.887 -14.555 -6.297 582 HB2 SER 74 HB2 SER 74 11.698 -14.855 -6.426 583 HB3 SER 74 HB3 SER 74 11.127 -16.341 -5.694 584 HG SER 74 HG SER 74 9.761 -15.330 -8.000 585 H LYS 75 H LYS 75 7.448 -14.459 -4.371 586 HA LYS 75 HA LYS 75 7.151 -16.808 -3.074 587 HB2 LYS 75 HB2 LYS 75 9.387 -15.400 -1.937 588 HB3 LYS 75 HB3 LYS 75 8.102 -15.480 -0.749 589 HG2 LYS 75 HG2 LYS 75 9.039 -17.907 -2.344 590 HG3 LYS 75 HG3 LYS 75 9.705 -17.479 -0.781 591 HD2 LYS 75 HD2 LYS 75 7.198 -17.457 0.029 592 HD3 LYS 75 HD3 LYS 75 6.873 -18.352 -1.442 593 HE2 LYS 75 HE2 LYS 75 8.494 -20.105 -0.779 594 HE3 LYS 75 HE3 LYS 75 8.942 -19.189 0.646 595 HZ1 LYS 75 HZ1 LYS 75 6.692 -19.406 1.435 596 HZ2 LYS 75 HZ2 LYS 75 6.249 -20.229 0.096 597 HZ3 LYS 75 HZ3 LYS 75 7.322 -20.883 1.140 598 H LYS 76 H LYS 76 5.676 -16.527 -1.023 599 HA LYS 76 HA LYS 76 3.636 -15.823 -0.464 600 HB2 LYS 76 HB2 LYS 76 5.591 -14.078 0.437 601 HB3 LYS 76 HB3 LYS 76 4.391 -12.997 -0.242 602 HG2 LYS 76 HG2 LYS 76 3.610 -15.274 1.625 603 HG3 LYS 76 HG3 LYS 76 4.101 -13.709 2.243 604 HD2 LYS 76 HD2 LYS 76 1.936 -13.064 1.991 605 HD3 LYS 76 HD3 LYS 76 2.245 -13.024 0.267 606 HE2 LYS 76 HE2 LYS 76 1.530 -15.396 0.057 607 HE3 LYS 76 HE3 LYS 76 1.286 -15.495 1.790 608 HZ1 LYS 76 HZ1 LYS 76 -0.344 -13.694 1.549 609 HZ2 LYS 76 HZ2 LYS 76 -0.177 -13.760 -0.074 610 HZ3 LYS 76 HZ3 LYS 76 -0.771 -15.046 0.739 611 H ILE 77 H ILE 77 3.986 -16.044 -3.307 612 HA ILE 77 HA ILE 77 2.816 -15.591 -5.129 613 HB ILE 77 HB ILE 77 1.208 -13.633 -3.489 614 HG12 ILE 77 HG12 ILE 77 1.440 -16.039 -2.570 615 HG13 ILE 77 HG13 ILE 77 -0.160 -15.339 -2.724 616 HG21 ILE 77 HG21 ILE 77 1.058 -14.634 -6.243 617 HG22 ILE 77 HG22 ILE 77 -0.463 -14.791 -5.333 618 HG23 ILE 77 HG23 ILE 77 0.318 -13.200 -5.494 619 HD11 ILE 77 HD11 ILE 77 0.852 -16.792 -5.136 620 HD12 ILE 77 HD12 ILE 77 0.489 -17.791 -3.708 621 HD13 ILE 77 HD13 ILE 77 -0.779 -16.767 -4.424 622 H MET 78 H MET 78 5.314 -14.429 -4.742 623 HA MET 78 HA MET 78 6.630 -12.881 -5.514 624 HB2 MET 78 HB2 MET 78 4.277 -12.845 -7.307 625 HB3 MET 78 HB3 MET 78 5.082 -11.289 -7.287 626 HG2 MET 78 HG2 MET 78 7.295 -12.754 -7.562 627 HG3 MET 78 HG3 MET 78 6.183 -13.977 -8.143 628 HE1 MET 78 HE1 MET 78 8.121 -11.267 -10.813 629 HE2 MET 78 HE2 MET 78 8.448 -11.360 -9.066 630 HE3 MET 78 HE3 MET 78 8.455 -12.841 -10.053 631 HA PRO 79 HA PRO 79 5.417 -9.579 -2.839 632 HB2 PRO 79 HB2 PRO 79 7.936 -8.871 -2.050 633 HB3 PRO 79 HB3 PRO 79 6.991 -10.105 -1.242 634 HG2 PRO 79 HG2 PRO 79 9.290 -10.432 -3.071 635 HG3 PRO 79 HG3 PRO 79 8.613 -11.588 -1.941 636 HD2 PRO 79 HD2 PRO 79 8.260 -11.563 -4.787 637 HD3 PRO 79 HD3 PRO 79 7.492 -12.648 -3.645 638 H ALA 80 H ALA 80 7.418 -9.542 -5.599 639 HA ALA 80 HA ALA 80 8.080 -6.895 -5.787 640 HB1 ALA 80 HB1 ALA 80 8.324 -9.107 -7.354 641 HB2 ALA 80 HB2 ALA 80 7.090 -8.208 -8.269 642 HB3 ALA 80 HB3 ALA 80 8.665 -7.455 -7.921 643 H GLY 81 H GLY 81 5.022 -8.508 -6.907 644 HA2 GLY 81 HA2 GLY 81 3.659 -6.481 -8.019 645 HA3 GLY 81 HA3 GLY 81 2.915 -7.674 -6.972 646 H LEU 82 H LEU 82 3.879 -7.096 -4.439 647 HA LEU 82 HA LEU 82 2.272 -5.050 -3.602 648 HB2 LEU 82 HB2 LEU 82 3.296 -6.892 -2.256 649 HB3 LEU 82 HB3 LEU 82 4.803 -5.997 -2.255 650 HG LEU 82 HG LEU 82 3.210 -4.071 -1.285 651 HD11 LEU 82 HD11 LEU 82 1.375 -4.753 -0.085 652 HD12 LEU 82 HD12 LEU 82 1.286 -5.848 -1.486 653 HD13 LEU 82 HD13 LEU 82 1.949 -6.431 0.060 654 HD21 LEU 82 HD21 LEU 82 5.269 -5.508 -0.336 655 HD22 LEU 82 HD22 LEU 82 4.349 -4.347 0.651 656 HD23 LEU 82 HD23 LEU 82 3.985 -6.086 0.753 657 H VAL 83 H VAL 83 5.827 -4.955 -4.304 658 HA VAL 83 HA VAL 83 6.180 -2.278 -3.658 659 HB VAL 83 HB VAL 83 7.597 -4.079 -5.629 660 HG11 VAL 83 HG11 VAL 83 8.569 -2.184 -6.359 661 HG12 VAL 83 HG12 VAL 83 7.992 -1.235 -4.968 662 HG13 VAL 83 HG13 VAL 83 9.458 -2.233 -4.818 663 HG21 VAL 83 HG21 VAL 83 7.451 -4.558 -3.042 664 HG22 VAL 83 HG22 VAL 83 8.994 -4.737 -3.912 665 HG23 VAL 83 HG23 VAL 83 8.680 -3.274 -2.947 666 H ALA 84 H ALA 84 4.890 -3.885 -6.572 667 HA ALA 84 HA ALA 84 5.023 -1.590 -8.221 668 HB1 ALA 84 HB1 ALA 84 3.860 -2.923 -9.784 669 HB2 ALA 84 HB2 ALA 84 4.794 -4.102 -8.831 670 HB3 ALA 84 HB3 ALA 84 3.057 -3.875 -8.512 671 H GLY 85 H GLY 85 2.787 -2.798 -5.744 672 HA2 GLY 85 HA2 GLY 85 0.561 -1.187 -6.507 673 HA3 GLY 85 HA3 GLY 85 0.805 -2.024 -4.987 674 H LEU 86 H LEU 86 3.219 -0.891 -4.051 675 HA LEU 86 HA LEU 86 2.267 1.499 -2.950 676 HB2 LEU 86 HB2 LEU 86 4.502 -0.275 -2.661 677 HB3 LEU 86 HB3 LEU 86 5.085 1.377 -2.709 678 HG LEU 86 HG LEU 86 4.693 0.637 -0.421 679 HD11 LEU 86 HD11 LEU 86 4.411 3.012 -0.968 680 HD12 LEU 86 HD12 LEU 86 2.679 2.736 -1.274 681 HD13 LEU 86 HD13 LEU 86 3.342 2.507 0.362 682 HD21 LEU 86 HD21 LEU 86 1.916 0.602 -0.112 683 HD22 LEU 86 HD22 LEU 86 2.233 -0.404 -1.546 684 HD23 LEU 86 HD23 LEU 86 3.033 -0.779 -0.001 685 H SER 87 H SER 87 4.572 0.785 -5.632 686 HA SER 87 HA SER 87 5.373 3.383 -6.042 687 HB2 SER 87 HB2 SER 87 6.471 1.417 -7.061 688 HB3 SER 87 HB3 SER 87 5.056 1.105 -8.046 689 HG SER 87 HG SER 87 6.213 2.285 -9.455 690 H LEU 88 H LEU 88 2.845 1.473 -7.846 691 HA LEU 88 HA LEU 88 1.915 3.450 -9.462 692 HB2 LEU 88 HB2 LEU 88 1.147 0.864 -8.670 693 HB3 LEU 88 HB3 LEU 88 -0.271 1.869 -8.439 694 HG LEU 88 HG LEU 88 0.588 2.665 -10.933 695 HD11 LEU 88 HD11 LEU 88 2.280 0.778 -10.811 696 HD12 LEU 88 HD12 LEU 88 0.899 -0.340 -10.909 697 HD13 LEU 88 HD13 LEU 88 1.217 0.801 -12.238 698 HD21 LEU 88 HD21 LEU 88 -1.291 1.218 -11.770 699 HD22 LEU 88 HD22 LEU 88 -1.432 0.565 -10.120 700 HD23 LEU 88 HD23 LEU 88 -1.706 2.299 -10.418 701 H MET 89 H MET 89 0.995 2.777 -6.032 702 HA MET 89 HA MET 89 -1.002 4.625 -5.833 703 HB2 MET 89 HB2 MET 89 -0.131 2.855 -4.133 704 HB3 MET 89 HB3 MET 89 1.079 4.033 -3.663 705 HG2 MET 89 HG2 MET 89 -1.259 5.546 -3.572 706 HG3 MET 89 HG3 MET 89 -1.828 3.971 -3.055 707 HE1 MET 89 HE1 MET 89 -1.912 3.956 -0.136 708 HE2 MET 89 HE2 MET 89 -1.295 2.753 -1.294 709 HE3 MET 89 HE3 MET 89 -0.335 3.179 0.143 710 H MET 90 H MET 90 2.550 5.057 -5.222 711 HA MET 90 HA MET 90 2.438 7.656 -4.388 712 HB2 MET 90 HB2 MET 90 4.407 5.718 -5.216 713 HB3 MET 90 HB3 MET 90 4.776 7.197 -6.081 714 HG2 MET 90 HG2 MET 90 4.620 8.435 -3.837 715 HG3 MET 90 HG3 MET 90 4.503 6.870 -3.057 716 HE1 MET 90 HE1 MET 90 8.073 9.072 -4.521 717 HE2 MET 90 HE2 MET 90 7.107 8.553 -5.923 718 HE3 MET 90 HE3 MET 90 6.347 9.497 -4.620 719 H ILE 91 H ILE 91 3.015 6.414 -7.760 720 HA ILE 91 HA ILE 91 3.247 8.822 -9.027 721 HB ILE 91 HB ILE 91 2.088 6.192 -9.927 722 HG12 ILE 91 HG12 ILE 91 4.617 7.134 -11.068 723 HG13 ILE 91 HG13 ILE 91 4.688 6.952 -9.327 724 HG21 ILE 91 HG21 ILE 91 2.799 8.556 -11.683 725 HG22 ILE 91 HG22 ILE 91 2.223 6.958 -12.214 726 HG23 ILE 91 HG23 ILE 91 1.145 8.030 -11.288 727 HD11 ILE 91 HD11 ILE 91 3.791 4.828 -11.327 728 HD12 ILE 91 HD12 ILE 91 5.294 4.827 -10.374 729 HD13 ILE 91 HD13 ILE 91 3.723 4.634 -9.559 730 H LEU 92 H LEU 92 0.184 6.908 -8.598 731 HA LEU 92 HA LEU 92 -1.505 8.800 -9.665 732 HB2 LEU 92 HB2 LEU 92 -1.720 6.305 -8.539 733 HB3 LEU 92 HB3 LEU 92 -2.582 7.303 -7.385 734 HG LEU 92 HG LEU 92 -3.214 7.581 -10.306 735 HD11 LEU 92 HD11 LEU 92 -3.233 5.079 -9.165 736 HD12 LEU 92 HD12 LEU 92 -4.905 5.635 -8.912 737 HD13 LEU 92 HD13 LEU 92 -4.218 5.601 -10.553 738 HD21 LEU 92 HD21 LEU 92 -4.397 9.158 -9.123 739 HD22 LEU 92 HD22 LEU 92 -5.557 7.809 -9.149 740 HD23 LEU 92 HD23 LEU 92 -4.581 8.115 -7.693 741 H ARG 93 H ARG 93 0.142 8.690 -6.531 742 HA ARG 93 HA ARG 93 -1.532 10.524 -5.266 743 HB2 ARG 93 HB2 ARG 93 0.592 8.925 -4.502 744 HB3 ARG 93 HB3 ARG 93 1.354 10.502 -4.482 745 HG2 ARG 93 HG2 ARG 93 0.453 10.193 -2.279 746 HG3 ARG 93 HG3 ARG 93 -0.618 11.333 -3.069 747 HD2 ARG 93 HD2 ARG 93 -1.991 9.177 -3.766 748 HD3 ARG 93 HD3 ARG 93 -1.099 8.396 -2.475 749 HE ARG 93 HE ARG 93 -2.333 10.948 -1.694 750 HH11 ARG 93 HH22 ARG 93 -2.762 7.463 -1.931 751 HH12 ARG 93 HH21 ARG 93 -4.014 7.407 -0.735 752 HH21 ARG 93 HH12 ARG 93 -3.985 10.875 -0.116 753 HH22 ARG 93 HH11 ARG 93 -4.714 9.361 0.304 754 H LEU 94 H LEU 94 1.414 10.794 -7.306 755 HA LEU 94 HA LEU 94 2.064 13.427 -6.816 756 HB2 LEU 94 HB2 LEU 94 2.668 11.375 -8.754 757 HB3 LEU 94 HB3 LEU 94 2.540 12.936 -9.541 758 HG LEU 94 HG LEU 94 4.089 13.532 -7.340 759 HD11 LEU 94 HD11 LEU 94 5.003 11.699 -6.488 760 HD12 LEU 94 HD12 LEU 94 4.238 10.678 -7.730 761 HD13 LEU 94 HD13 LEU 94 5.819 11.433 -8.048 762 HD21 LEU 94 HD21 LEU 94 5.051 14.493 -9.103 763 HD22 LEU 94 HD22 LEU 94 5.933 12.964 -9.332 764 HD23 LEU 94 HD23 LEU 94 4.420 13.261 -10.222 765 H VAL 95 H VAL 95 -0.196 12.056 -9.302 766 HA VAL 95 HA VAL 95 -0.979 14.625 -10.204 767 HB VAL 95 HB VAL 95 -1.047 12.622 -11.590 768 HG11 VAL 95 HG11 VAL 95 -2.974 10.994 -11.208 769 HG12 VAL 95 HG12 VAL 95 -1.597 10.874 -10.087 770 HG13 VAL 95 HG13 VAL 95 -3.097 11.680 -9.570 771 HG21 VAL 95 HG21 VAL 95 -2.554 14.537 -12.070 772 HG22 VAL 95 HG22 VAL 95 -3.218 12.979 -12.620 773 HG23 VAL 95 HG23 VAL 95 -3.836 13.735 -11.131 774 H LEU 96 H LEU 96 -1.996 12.420 -7.615 775 HA LEU 96 HA LEU 96 -4.549 13.316 -7.160 776 HB2 LEU 96 HB2 LEU 96 -3.111 11.444 -6.076 777 HB3 LEU 96 HB3 LEU 96 -2.650 12.681 -4.924 778 HG LEU 96 HG LEU 96 -4.406 11.672 -3.839 779 HD11 LEU 96 HD11 LEU 96 -6.230 13.191 -3.753 780 HD12 LEU 96 HD12 LEU 96 -4.781 14.144 -4.154 781 HD13 LEU 96 HD13 LEU 96 -5.954 13.729 -5.427 782 HD21 LEU 96 HD21 LEU 96 -4.949 10.240 -5.877 783 HD22 LEU 96 HD22 LEU 96 -6.296 10.639 -4.783 784 HD23 LEU 96 HD23 LEU 96 -6.112 11.511 -6.324 785 H LEU 97 H LEU 97 -1.400 14.811 -6.331 786 HA LEU 97 HA LEU 97 -2.085 16.674 -4.522 787 HB2 LEU 97 HB2 LEU 97 -0.283 16.864 -6.928 788 HB3 LEU 97 HB3 LEU 97 -0.414 18.160 -5.755 789 HG LEU 97 HG LEU 97 0.381 15.326 -5.040 790 HD11 LEU 97 HD11 LEU 97 2.658 16.790 -4.749 791 HD12 LEU 97 HD12 LEU 97 2.270 15.782 -6.163 792 HD13 LEU 97 HD13 LEU 97 1.951 17.533 -6.204 793 HD21 LEU 97 HD21 LEU 97 0.139 15.994 -2.941 794 HD22 LEU 97 HD22 LEU 97 1.397 17.224 -3.210 795 HD23 LEU 97 HD23 LEU 97 -0.316 17.630 -3.474 796 H LEU 98 H LEU 98 -2.726 16.816 -8.075 797 HA LEU 98 HA LEU 98 -3.915 19.373 -7.955 798 HB2 LEU 98 HB2 LEU 98 -3.489 17.237 -9.930 799 HB3 LEU 98 HB3 LEU 98 -4.944 18.179 -10.192 800 HG LEU 98 HG LEU 98 -3.160 20.184 -9.778 801 HD11 LEU 98 HD11 LEU 98 -1.536 18.231 -11.393 802 HD12 LEU 98 HD12 LEU 98 -1.039 19.762 -10.633 803 HD13 LEU 98 HD13 LEU 98 -1.366 18.332 -9.624 804 HD21 LEU 98 HD21 LEU 98 -3.104 20.434 -12.232 805 HD22 LEU 98 HD22 LEU 98 -3.767 18.791 -12.400 806 HD23 LEU 98 HD23 LEU 98 -4.734 20.064 -11.617 807 H LEU 99 H LEU 99 -5.282 16.013 -8.118 808 HA LEU 99 HA LEU 99 -7.923 16.620 -8.115 809 HB2 LEU 99 HB2 LEU 99 -6.244 14.374 -7.297 810 HB3 LEU 99 HB3 LEU 99 -7.755 14.449 -6.414 811 HG LEU 99 HG LEU 99 -8.710 14.795 -8.912 812 HD11 LEU 99 HD11 LEU 99 -6.112 13.292 -9.222 813 HD12 LEU 99 HD12 LEU 99 -7.476 13.079 -10.345 814 HD13 LEU 99 HD13 LEU 99 -6.722 14.680 -10.155 815 HD21 LEU 99 HD21 LEU 99 -9.540 12.624 -8.774 816 HD22 LEU 99 HD22 LEU 99 -8.078 12.007 -7.966 817 HD23 LEU 99 HD23 LEU 99 -9.212 13.053 -7.078 Start of MODEL 11 1 H MET 1 H1 MET 1 -14.034 -13.288 -27.332 2 HA MET 1 HA MET 1 -14.154 -15.341 -25.948 3 HB2 MET 1 HB2 MET 1 -13.874 -13.117 -23.878 4 HB3 MET 1 HB3 MET 1 -14.697 -14.604 -23.453 5 HG2 MET 1 HG2 MET 1 -12.749 -15.845 -23.449 6 HG3 MET 1 HG3 MET 1 -12.075 -14.994 -24.825 7 HE1 MET 1 HE1 MET 1 -11.146 -15.992 -21.815 8 HE2 MET 1 HE2 MET 1 -9.800 -15.416 -22.828 9 HE3 MET 1 HE3 MET 1 -10.045 -14.735 -21.201 10 H ASP 2 H ASP 2 -15.654 -12.121 -25.153 11 HA ASP 2 HA ASP 2 -18.143 -13.187 -26.155 12 HB2 ASP 2 HB2 ASP 2 -18.103 -13.529 -23.649 13 HB3 ASP 2 HB3 ASP 2 -17.884 -11.803 -23.444 14 H LEU 3 H LEU 3 -18.866 -11.628 -27.612 15 HA LEU 3 HA LEU 3 -17.954 -8.879 -27.176 16 HB2 LEU 3 HB2 LEU 3 -17.318 -10.107 -29.269 17 HB3 LEU 3 HB3 LEU 3 -19.015 -10.142 -29.704 18 HG LEU 3 HG LEU 3 -18.173 -7.438 -29.055 19 HD11 LEU 3 HD11 LEU 3 -16.486 -9.008 -30.981 20 HD12 LEU 3 HD12 LEU 3 -16.802 -7.279 -31.262 21 HD13 LEU 3 HD13 LEU 3 -16.002 -7.805 -29.762 22 HD21 LEU 3 HD21 LEU 3 -19.450 -8.839 -31.398 23 HD22 LEU 3 HD22 LEU 3 -20.171 -7.696 -30.240 24 HD23 LEU 3 HD23 LEU 3 -19.012 -7.115 -31.460 25 H ILE 4 H ILE 4 -19.461 -8.011 -25.769 26 HA ILE 4 HA ILE 4 -22.148 -7.801 -26.881 27 HB ILE 4 HB ILE 4 -23.152 -8.236 -24.696 28 HG12 ILE 4 HG12 ILE 4 -20.567 -9.410 -23.710 29 HG13 ILE 4 HG13 ILE 4 -20.871 -7.696 -23.508 30 HG21 ILE 4 HG21 ILE 4 -23.050 -10.019 -26.353 31 HG22 ILE 4 HG22 ILE 4 -21.451 -10.514 -25.747 32 HG23 ILE 4 HG23 ILE 4 -22.885 -10.675 -24.706 33 HD11 ILE 4 HD11 ILE 4 -21.623 -9.215 -21.576 34 HD12 ILE 4 HD12 ILE 4 -22.848 -8.083 -22.198 35 HD13 ILE 4 HD13 ILE 4 -22.904 -9.800 -22.665 36 H GLY 5 H GLY 5 -23.406 -6.025 -25.649 37 HA2 GLY 5 HA2 GLY 5 -22.207 -3.611 -25.902 38 HA3 GLY 5 HA3 GLY 5 -23.530 -3.936 -24.800 39 H PHE 6 H PHE 6 -20.179 -3.114 -25.092 40 HA PHE 6 HA PHE 6 -19.284 -4.036 -22.588 41 HB2 PHE 6 HB2 PHE 6 -18.492 -2.178 -24.814 42 HB3 PHE 6 HB3 PHE 6 -17.786 -1.769 -23.263 43 HD1 PHE 6 HD2 PHE 6 -18.309 -4.783 -25.410 44 HD2 PHE 6 HD1 PHE 6 -15.744 -2.701 -22.747 45 HE1 PHE 6 HE2 PHE 6 -16.533 -6.522 -25.761 46 HE2 PHE 6 HE1 PHE 6 -13.969 -4.440 -23.097 47 HZ PHE 6 HZ PHE 6 -14.384 -6.330 -24.600 48 H GLY 7 H GLY 7 -20.183 -0.693 -23.721 49 HA2 GLY 7 HA2 GLY 7 -19.936 0.780 -21.516 50 HA3 GLY 7 HA3 GLY 7 -21.309 0.930 -22.594 51 H TYR 8 H TYR 8 -22.886 -1.246 -22.202 52 HA TYR 8 HA TYR 8 -24.292 -0.719 -19.938 53 HB2 TYR 8 HB2 TYR 8 -24.480 -2.358 -22.115 54 HB3 TYR 8 HB3 TYR 8 -23.939 -3.567 -20.967 55 HD1 TYR 8 HD2 TYR 8 -26.575 -0.946 -21.418 56 HD2 TYR 8 HD1 TYR 8 -25.500 -4.678 -19.623 57 HE1 TYR 8 HE2 TYR 8 -28.964 -1.250 -20.602 58 HE2 TYR 8 HE1 TYR 8 -27.893 -4.969 -18.813 59 HH TYR 8 HH TYR 8 -29.843 -4.042 -18.599 60 H ALA 9 H ALA 9 -21.780 -3.308 -20.366 61 HA ALA 9 HA ALA 9 -21.979 -4.340 -17.798 62 HB1 ALA 9 HB1 ALA 9 -19.903 -4.291 -19.975 63 HB2 ALA 9 HB2 ALA 9 -19.456 -4.924 -18.372 64 HB3 ALA 9 HB3 ALA 9 -20.791 -5.670 -19.283 65 H ALA 10 H ALA 10 -20.252 -1.492 -19.105 66 HA ALA 10 HA ALA 10 -18.679 -1.055 -16.799 67 HB1 ALA 10 HB1 ALA 10 -19.125 1.394 -18.153 68 HB2 ALA 10 HB2 ALA 10 -17.737 0.294 -18.328 69 HB3 ALA 10 HB3 ALA 10 -19.146 0.127 -19.403 70 H LEU 11 H LEU 11 -22.016 -0.313 -17.749 71 HA LEU 11 HA LEU 11 -22.409 1.706 -15.799 72 HB2 LEU 11 HB2 LEU 11 -23.708 0.988 -18.012 73 HB3 LEU 11 HB3 LEU 11 -24.667 0.082 -16.858 74 HG LEU 11 HG LEU 11 -24.733 2.419 -15.589 75 HD11 LEU 11 HD11 LEU 11 -23.186 3.422 -17.340 76 HD12 LEU 11 HD12 LEU 11 -24.573 3.362 -18.454 77 HD13 LEU 11 HD13 LEU 11 -24.669 4.332 -16.965 78 HD21 LEU 11 HD21 LEU 11 -26.569 0.942 -16.746 79 HD22 LEU 11 HD22 LEU 11 -26.909 2.629 -16.294 80 HD23 LEU 11 HD23 LEU 11 -26.523 2.221 -17.983 81 H VAL 12 H VAL 12 -23.296 -1.810 -15.985 82 HA VAL 12 HA VAL 12 -24.471 -1.993 -13.505 83 HB VAL 12 HB VAL 12 -22.928 -3.937 -15.211 84 HG11 VAL 12 HG11 VAL 12 -22.726 -5.308 -13.456 85 HG12 VAL 12 HG12 VAL 12 -23.708 -4.243 -12.422 86 HG13 VAL 12 HG13 VAL 12 -24.501 -5.447 -13.465 87 HG21 VAL 12 HG21 VAL 12 -25.014 -4.704 -15.948 88 HG22 VAL 12 HG22 VAL 12 -25.876 -3.982 -14.568 89 HG23 VAL 12 HG23 VAL 12 -25.226 -2.939 -15.856 90 H THR 13 H THR 13 -20.994 -2.494 -14.419 91 HA THR 13 HA THR 13 -20.050 -3.104 -11.896 92 HB THR 13 HB THR 13 -18.879 -1.779 -14.378 93 HG1 THR 13 HG1 THR 13 -19.296 -4.052 -14.454 94 HG21 THR 13 HG21 THR 13 -16.844 -2.914 -12.682 95 HG22 THR 13 HG22 THR 13 -16.970 -1.232 -13.253 96 HG23 THR 13 HG23 THR 13 -17.733 -1.710 -11.717 97 H PHE 14 H PHE 14 -20.139 0.174 -13.455 98 HA PHE 14 HA PHE 14 -19.138 1.642 -11.443 99 HB2 PHE 14 HB2 PHE 14 -20.423 2.081 -13.821 100 HB3 PHE 14 HB3 PHE 14 -21.740 2.510 -12.748 101 HD1 PHE 14 HD1 PHE 14 -20.689 4.018 -10.629 102 HD2 PHE 14 HD2 PHE 14 -19.334 3.924 -14.649 103 HE1 PHE 14 HE1 PHE 14 -19.719 6.317 -10.356 104 HE2 PHE 14 HE2 PHE 14 -18.364 6.222 -14.376 105 HZ PHE 14 HZ PHE 14 -18.568 7.392 -12.233 106 H GLY 15 H GLY 15 -22.684 0.898 -11.819 107 HA2 GLY 15 HA2 GLY 15 -23.495 2.028 -9.404 108 HA3 GLY 15 HA3 GLY 15 -24.340 0.785 -10.305 109 H SER 16 H SER 16 -23.205 -1.525 -10.136 110 HA SER 16 HA SER 16 -23.583 -2.523 -7.733 111 HB2 SER 16 HB2 SER 16 -22.917 -3.724 -9.905 112 HB3 SER 16 HB3 SER 16 -21.246 -3.445 -9.455 113 HG SER 16 HG SER 16 -22.251 -4.477 -7.265 114 H ILE 17 H ILE 17 -20.223 -1.721 -8.907 115 HA ILE 17 HA ILE 17 -18.885 -2.075 -6.580 116 HB ILE 17 HB ILE 17 -18.522 -0.446 -9.011 117 HG12 ILE 17 HG12 ILE 17 -16.341 -1.629 -9.006 118 HG13 ILE 17 HG13 ILE 17 -16.748 -2.362 -7.468 119 HG21 ILE 17 HG21 ILE 17 -17.960 1.276 -7.455 120 HG22 ILE 17 HG22 ILE 17 -17.004 0.151 -6.462 121 HG23 ILE 17 HG23 ILE 17 -16.441 0.600 -8.089 122 HD11 ILE 17 HD11 ILE 17 -18.715 -2.627 -9.743 123 HD12 ILE 17 HD12 ILE 17 -17.251 -3.638 -9.747 124 HD13 ILE 17 HD13 ILE 17 -18.399 -3.739 -8.390 125 H PHE 18 H PHE 18 -20.707 0.865 -7.630 126 HA PHE 18 HA PHE 18 -20.041 2.535 -5.582 127 HB2 PHE 18 HB2 PHE 18 -21.770 2.480 -7.735 128 HB3 PHE 18 HB3 PHE 18 -22.935 2.305 -6.437 129 HD1 PHE 18 HD1 PHE 18 -20.005 4.443 -7.339 130 HD2 PHE 18 HD2 PHE 18 -23.844 4.225 -5.544 131 HE1 PHE 18 HE1 PHE 18 -19.979 6.927 -6.982 132 HE2 PHE 18 HE2 PHE 18 -23.818 6.709 -5.186 133 HZ PHE 18 HZ PHE 18 -21.886 8.031 -5.909 134 H GLY 19 H GLY 19 -22.608 -0.015 -5.646 135 HA2 GLY 19 HA2 GLY 19 -23.484 0.580 -2.973 136 HA3 GLY 19 HA3 GLY 19 -23.983 -0.752 -3.996 137 H TYR 20 H TYR 20 -20.915 -1.305 -4.453 138 HA TYR 20 HA TYR 20 -19.435 -2.745 -3.646 139 HB2 TYR 20 HB2 TYR 20 -20.081 -0.739 -1.625 140 HB3 TYR 20 HB3 TYR 20 -19.808 -2.254 -0.788 141 HD1 TYR 20 HD1 TYR 20 -17.599 -3.512 -1.283 142 HD2 TYR 20 HD2 TYR 20 -18.263 0.586 -2.318 143 HE1 TYR 20 HE1 TYR 20 -15.089 -3.135 -1.432 144 HE2 TYR 20 HE2 TYR 20 -15.751 0.949 -2.464 145 HH TYR 20 HH TYR 20 -13.779 0.093 -1.955 146 H LYS 21 H LYS 21 -20.034 -4.854 -3.897 147 HA LYS 21 HA LYS 21 -20.949 -6.295 -1.675 148 HB2 LYS 21 HB2 LYS 21 -23.076 -5.054 -2.462 149 HB3 LYS 21 HB3 LYS 21 -23.054 -6.144 -3.834 150 HG2 LYS 21 HG2 LYS 21 -23.527 -8.023 -2.539 151 HG3 LYS 21 HG3 LYS 21 -22.712 -7.392 -1.122 152 HD2 LYS 21 HD2 LYS 21 -24.586 -6.283 -0.361 153 HD3 LYS 21 HD3 LYS 21 -25.102 -5.825 -1.972 154 HE2 LYS 21 HE2 LYS 21 -26.489 -7.627 -2.151 155 HE3 LYS 21 HE3 LYS 21 -25.248 -8.737 -1.604 156 HZ1 LYS 21 HZ1 LYS 21 -25.858 -8.457 0.558 157 HZ2 LYS 21 HZ2 LYS 21 -26.507 -6.975 0.337 158 HZ3 LYS 21 HZ3 LYS 21 -27.314 -8.303 -0.166 159 H ARG 22 H ARG 22 -18.723 -6.829 -2.823 160 HA ARG 22 HA ARG 22 -19.329 -8.827 -4.852 161 HB2 ARG 22 HB2 ARG 22 -17.465 -6.687 -4.909 162 HB3 ARG 22 HB3 ARG 22 -16.485 -8.113 -4.636 163 HG2 ARG 22 HG2 ARG 22 -18.071 -9.111 -6.588 164 HG3 ARG 22 HG3 ARG 22 -18.208 -7.414 -7.004 165 HD2 ARG 22 HD2 ARG 22 -16.271 -7.791 -8.179 166 HD3 ARG 22 HD3 ARG 22 -15.496 -7.580 -6.621 167 HE ARG 22 HE ARG 22 -16.360 -10.323 -6.967 168 HH11 ARG 22 HH22 ARG 22 -13.855 -8.045 -7.924 169 HH12 ARG 22 HH21 ARG 22 -12.668 -9.273 -8.209 170 HH21 ARG 22 HH12 ARG 22 -14.794 -11.944 -7.343 171 HH22 ARG 22 HH11 ARG 22 -13.206 -11.506 -7.876 172 H ARG 23 H ARG 23 -17.180 -10.477 -4.832 173 HA ARG 23 HA ARG 23 -16.373 -11.004 -2.148 174 HB2 ARG 23 HB2 ARG 23 -18.731 -12.200 -2.885 175 HB3 ARG 23 HB3 ARG 23 -17.599 -13.404 -3.469 176 HG2 ARG 23 HG2 ARG 23 -16.517 -12.932 -1.003 177 HG3 ARG 23 HG3 ARG 23 -18.193 -12.557 -0.655 178 HD2 ARG 23 HD2 ARG 23 -17.941 -15.019 -2.257 179 HD3 ARG 23 HD3 ARG 23 -17.044 -15.130 -0.755 180 HE ARG 23 HE ARG 23 -19.745 -14.035 -0.418 181 HH11 ARG 23 HH22 ARG 23 -17.814 -16.974 -0.552 182 HH12 ARG 23 HH21 ARG 23 -18.955 -17.917 0.347 183 HH21 ARG 23 HH12 ARG 23 -21.251 -15.279 0.767 184 HH22 ARG 23 HH11 ARG 23 -20.924 -16.947 1.102 185 H GLY 24 H GLY 24 -14.289 -10.558 -3.218 186 HA2 GLY 24 HA2 GLY 24 -13.438 -12.662 -5.110 187 HA3 GLY 24 HA3 GLY 24 -12.770 -11.045 -5.010 188 H GLY 25 H GLY 25 -12.165 -10.536 -2.437 189 HA2 GLY 25 HA2 GLY 25 -11.033 -11.238 -0.558 190 HA3 GLY 25 HA3 GLY 25 -10.884 -12.852 -1.223 191 H VAL 26 H VAL 26 -9.548 -9.546 -1.219 192 HA VAL 26 HA VAL 26 -7.198 -10.591 -2.643 193 HB VAL 26 HB VAL 26 -6.789 -8.117 -3.087 194 HG11 VAL 26 HG11 VAL 26 -7.817 -9.965 -4.642 195 HG12 VAL 26 HG12 VAL 26 -9.315 -9.025 -4.442 196 HG13 VAL 26 HG13 VAL 26 -7.866 -8.255 -5.133 197 HG21 VAL 26 HG21 VAL 26 -8.463 -6.534 -2.805 198 HG22 VAL 26 HG22 VAL 26 -9.751 -7.758 -2.689 199 HG23 VAL 26 HG23 VAL 26 -8.630 -7.513 -1.328 200 HA PRO 27 HA PRO 27 -5.695 -9.953 1.490 201 HB2 PRO 27 HB2 PRO 27 -3.807 -11.929 1.437 202 HB3 PRO 27 HB3 PRO 27 -5.453 -12.191 1.978 203 HG2 PRO 27 HG2 PRO 27 -4.189 -12.997 -0.570 204 HG3 PRO 27 HG3 PRO 27 -5.662 -13.600 0.164 205 HD2 PRO 27 HD2 PRO 27 -5.465 -11.772 -2.038 206 HD3 PRO 27 HD3 PRO 27 -6.933 -12.284 -1.230 207 H SER 28 H SER 28 -3.875 -8.950 2.424 208 HA SER 28 HA SER 28 -1.886 -7.995 2.369 209 HB2 SER 28 HB2 SER 28 -1.462 -9.728 0.332 210 HB3 SER 28 HB3 SER 28 -1.458 -8.240 -0.593 211 HG SER 28 HG SER 28 0.595 -8.134 0.027 212 H LEU 29 H LEU 29 -3.385 -7.419 -0.906 213 HA LEU 29 HA LEU 29 -2.823 -4.806 -1.204 214 HB2 LEU 29 HB2 LEU 29 -5.276 -6.385 -1.945 215 HB3 LEU 29 HB3 LEU 29 -5.078 -4.708 -2.415 216 HG LEU 29 HG LEU 29 -2.779 -5.551 -3.391 217 HD11 LEU 29 HD11 LEU 29 -4.107 -8.035 -2.625 218 HD12 LEU 29 HD12 LEU 29 -3.663 -7.993 -4.348 219 HD13 LEU 29 HD13 LEU 29 -2.419 -7.731 -3.103 220 HD21 LEU 29 HD21 LEU 29 -5.281 -4.967 -4.445 221 HD22 LEU 29 HD22 LEU 29 -3.755 -5.130 -5.346 222 HD23 LEU 29 HD23 LEU 29 -4.850 -6.524 -5.192 223 H ILE 30 H ILE 30 -5.681 -6.146 0.587 224 HA ILE 30 HA ILE 30 -6.820 -3.777 1.327 225 HB ILE 30 HB ILE 30 -7.621 -5.085 3.336 226 HG12 ILE 30 HG12 ILE 30 -7.045 -7.690 2.607 227 HG13 ILE 30 HG13 ILE 30 -5.505 -6.884 2.385 228 HG21 ILE 30 HG21 ILE 30 -9.299 -5.746 2.031 229 HG22 ILE 30 HG22 ILE 30 -8.332 -5.165 0.655 230 HG23 ILE 30 HG23 ILE 30 -8.261 -6.878 1.132 231 HD11 ILE 30 HD11 ILE 30 -5.333 -7.356 4.644 232 HD12 ILE 30 HD12 ILE 30 -6.162 -5.785 4.763 233 HD13 ILE 30 HD13 ILE 30 -7.094 -7.295 4.897 234 H ALA 31 H ALA 31 -4.170 -5.597 2.997 235 HA ALA 31 HA ALA 31 -3.884 -3.902 5.153 236 HB1 ALA 31 HB1 ALA 31 -1.865 -5.037 5.518 237 HB2 ALA 31 HB2 ALA 31 -2.796 -6.200 4.543 238 HB3 ALA 31 HB3 ALA 31 -1.531 -5.208 3.778 239 H GLY 32 H GLY 32 -2.677 -3.640 1.782 240 HA2 GLY 32 HA2 GLY 32 -0.958 -1.429 2.260 241 HA3 GLY 32 HA3 GLY 32 -1.561 -1.997 0.716 242 H LEU 33 H LEU 33 -4.450 -1.824 1.622 243 HA LEU 33 HA LEU 33 -4.860 0.865 0.819 244 HB2 LEU 33 HB2 LEU 33 -6.386 -1.562 1.140 245 HB3 LEU 33 HB3 LEU 33 -7.252 -0.206 1.837 246 HG LEU 33 HG LEU 33 -7.917 -0.559 -0.469 247 HD11 LEU 33 HD11 LEU 33 -8.278 1.630 -0.450 248 HD12 LEU 33 HD12 LEU 33 -6.836 1.915 0.554 249 HD13 LEU 33 HD13 LEU 33 -6.687 1.852 -1.218 250 HD21 LEU 33 HD21 LEU 33 -5.017 -0.069 -1.205 251 HD22 LEU 33 HD22 LEU 33 -5.876 -1.626 -1.295 252 HD23 LEU 33 HD23 LEU 33 -6.372 -0.273 -2.341 253 H PHE 34 H PHE 34 -5.805 -0.904 3.856 254 HA PHE 34 HA PHE 34 -6.557 1.308 5.279 255 HB2 PHE 34 HB2 PHE 34 -5.616 -1.491 5.720 256 HB3 PHE 34 HB3 PHE 34 -5.292 -0.458 7.098 257 HD1 PHE 34 HD1 PHE 34 -8.135 -0.982 4.719 258 HD2 PHE 34 HD2 PHE 34 -6.882 -0.548 8.750 259 HE1 PHE 34 HE1 PHE 34 -10.508 -1.262 5.486 260 HE2 PHE 34 HE2 PHE 34 -9.255 -0.828 9.517 261 HZ PHE 34 HZ PHE 34 -11.040 -1.182 7.877 262 H VAL 35 H VAL 35 -3.274 -0.201 5.013 263 HA VAL 35 HA VAL 35 -2.026 1.476 6.852 264 HB VAL 35 HB VAL 35 -1.031 -0.051 4.445 265 HG11 VAL 35 HG11 VAL 35 1.014 0.815 4.660 266 HG12 VAL 35 HG12 VAL 35 0.336 2.017 5.784 267 HG13 VAL 35 HG13 VAL 35 1.020 0.498 6.411 268 HG21 VAL 35 HG21 VAL 35 -2.046 -1.238 6.485 269 HG22 VAL 35 HG22 VAL 35 -0.430 -1.759 5.951 270 HG23 VAL 35 HG23 VAL 35 -0.599 -0.694 7.368 271 H GLY 36 H GLY 36 -1.680 1.637 3.236 272 HA2 GLY 36 HA2 GLY 36 -0.495 4.023 2.943 273 HA3 GLY 36 HA3 GLY 36 -1.740 3.437 1.858 274 H CYS 37 H CYS 37 -4.068 3.533 3.404 275 HA CYS 37 HA CYS 37 -4.802 6.165 3.177 276 HB2 CYS 37 HB2 CYS 37 -5.984 3.708 4.282 277 HB3 CYS 37 HB3 CYS 37 -6.563 5.167 5.062 278 HG CYS 37 HG CYS 37 -8.055 5.853 3.364 279 H LEU 38 H LEU 38 -4.492 4.333 6.314 280 HA LEU 38 HA LEU 38 -4.561 6.379 8.041 281 HB2 LEU 38 HB2 LEU 38 -4.356 3.923 8.502 282 HB3 LEU 38 HB3 LEU 38 -2.628 4.069 8.245 283 HG LEU 38 HG LEU 38 -2.894 5.979 10.101 284 HD11 LEU 38 HD11 LEU 38 -5.334 5.727 10.269 285 HD12 LEU 38 HD12 LEU 38 -5.119 4.037 10.784 286 HD13 LEU 38 HD13 LEU 38 -4.515 5.363 11.807 287 HD21 LEU 38 HD21 LEU 38 -1.348 4.482 10.749 288 HD22 LEU 38 HD22 LEU 38 -2.667 3.837 11.756 289 HD23 LEU 38 HD23 LEU 38 -2.301 3.089 10.183 290 H ALA 39 H ALA 39 -1.815 5.453 5.932 291 HA ALA 39 HA ALA 39 0.112 7.078 7.105 292 HB1 ALA 39 HB1 ALA 39 0.344 6.908 4.206 293 HB2 ALA 39 HB2 ALA 39 1.346 6.152 5.468 294 HB3 ALA 39 HB3 ALA 39 -0.135 5.342 4.902 295 H GLY 40 H GLY 40 -1.362 7.812 3.883 296 HA2 GLY 40 HA2 GLY 40 -0.816 10.518 3.919 297 HA3 GLY 40 HA3 GLY 40 -2.078 9.742 2.983 298 H TYR 41 H TYR 41 -4.117 9.062 4.399 299 HA TYR 41 HA TYR 41 -5.443 11.266 5.187 300 HB2 TYR 41 HB2 TYR 41 -6.201 8.812 4.898 301 HB3 TYR 41 HB3 TYR 41 -5.511 8.464 6.471 302 HD1 TYR 41 HD1 TYR 41 -8.139 10.467 4.751 303 HD2 TYR 41 HD2 TYR 41 -6.740 8.862 8.461 304 HE1 TYR 41 HE1 TYR 41 -10.335 11.105 5.863 305 HE2 TYR 41 HE2 TYR 41 -8.940 9.505 9.561 306 HH TYR 41 HH TYR 41 -11.429 11.247 7.728 307 H GLY 42 H GLY 42 -3.770 8.982 7.477 308 HA2 GLY 42 HA2 GLY 42 -4.232 10.322 9.822 309 HA3 GLY 42 HA3 GLY 42 -2.811 9.356 9.478 310 H ALA 43 H ALA 43 -1.404 10.744 7.568 311 HA ALA 43 HA ALA 43 -0.112 12.695 9.023 312 HB1 ALA 43 HB1 ALA 43 1.238 12.877 7.157 313 HB2 ALA 43 HB2 ALA 43 0.440 11.327 6.797 314 HB3 ALA 43 HB3 ALA 43 -0.134 12.824 6.024 315 H TYR 44 H TYR 44 -2.985 12.866 6.930 316 HA TYR 44 HA TYR 44 -2.936 15.722 6.754 317 HB2 TYR 44 HB2 TYR 44 -4.021 13.724 5.296 318 HB3 TYR 44 HB3 TYR 44 -5.338 13.852 6.445 319 HD1 TYR 44 HD2 TYR 44 -6.690 15.946 6.575 320 HD2 TYR 44 HD1 TYR 44 -3.692 15.380 3.576 321 HE1 TYR 44 HE2 TYR 44 -7.686 17.846 5.211 322 HE2 TYR 44 HE1 TYR 44 -4.698 17.282 2.221 323 HH TYR 44 HH TYR 44 -6.720 18.432 1.965 324 H ARG 45 H ARG 45 -4.278 13.270 8.953 325 HA ARG 45 HA ARG 45 -6.065 15.142 10.132 326 HB2 ARG 45 HB2 ARG 45 -6.224 12.495 9.969 327 HB3 ARG 45 HB3 ARG 45 -5.236 12.518 11.416 328 HG2 ARG 45 HG2 ARG 45 -7.388 14.450 11.708 329 HG3 ARG 45 HG3 ARG 45 -8.066 12.910 11.219 330 HD2 ARG 45 HD2 ARG 45 -5.973 12.906 13.398 331 HD3 ARG 45 HD3 ARG 45 -7.582 13.468 13.804 332 HE ARG 45 HE ARG 45 -6.812 10.718 13.080 333 HH11 ARG 45 HH22 ARG 45 -9.459 13.000 13.493 334 HH12 ARG 45 HH21 ARG 45 -10.660 11.767 13.688 335 HH21 ARG 45 HH12 ARG 45 -8.396 9.092 13.338 336 HH22 ARG 45 HH11 ARG 45 -10.051 9.529 13.600 337 H VAL 46 H VAL 46 -3.316 13.143 11.459 338 HA VAL 46 HA VAL 46 -3.024 14.682 13.769 339 HB VAL 46 HB VAL 46 -1.198 12.799 12.277 340 HG11 VAL 46 HG11 VAL 46 0.487 13.710 13.463 341 HG12 VAL 46 HG12 VAL 46 -0.617 14.558 14.572 342 HG13 VAL 46 HG13 VAL 46 -0.228 12.842 14.842 343 HG21 VAL 46 HG21 VAL 46 -2.296 11.168 13.334 344 HG22 VAL 46 HG22 VAL 46 -2.070 11.964 14.910 345 HG23 VAL 46 HG23 VAL 46 -3.467 12.388 13.891 346 H SER 47 H SER 47 -1.201 14.704 10.630 347 HA SER 47 HA SER 47 0.123 16.176 9.735 348 HB2 SER 47 HB2 SER 47 -1.697 17.615 9.369 349 HB3 SER 47 HB3 SER 47 -1.938 17.924 11.077 350 HG SER 47 HG SER 47 -0.941 19.772 10.524 351 H ASN 48 H ASN 48 2.207 15.962 10.529 352 HA ASN 48 HA ASN 48 3.234 17.915 12.165 353 HB2 ASN 48 HB2 ASN 48 1.874 16.246 13.808 354 HB3 ASN 48 HB3 ASN 48 3.343 15.299 13.680 355 HD21 ASN 48 HD21 ASN 48 2.981 15.978 16.081 356 HD22 ASN 48 HD22 ASN 48 3.897 17.346 16.619 357 H ASP 49 H ASP 49 4.107 17.052 9.772 358 HA ASP 49 HA ASP 49 6.677 16.354 10.093 359 HB2 ASP 49 HB2 ASP 49 6.259 14.162 10.887 360 HB3 ASP 49 HB3 ASP 49 4.868 13.942 9.844 361 H LYS 50 H LYS 50 4.024 14.901 8.040 362 HA LYS 50 HA LYS 50 4.428 16.702 5.912 363 HB2 LYS 50 HB2 LYS 50 6.437 14.833 5.995 364 HB3 LYS 50 HB3 LYS 50 5.282 14.053 4.935 365 HG2 LYS 50 HG2 LYS 50 6.660 15.393 3.501 366 HG3 LYS 50 HG3 LYS 50 5.141 16.257 3.628 367 HD2 LYS 50 HD2 LYS 50 6.066 17.811 5.263 368 HD3 LYS 50 HD3 LYS 50 7.523 16.853 5.437 369 HE2 LYS 50 HE2 LYS 50 8.217 18.573 3.976 370 HE3 LYS 50 HE3 LYS 50 7.861 17.261 2.870 371 HZ1 LYS 50 HZ1 LYS 50 6.878 19.501 2.364 372 HZ2 LYS 50 HZ2 LYS 50 5.853 18.232 2.292 373 HZ3 LYS 50 HZ3 LYS 50 5.822 19.235 3.580 374 H ARG 51 H ARG 51 3.486 15.150 3.775 375 HA ARG 51 HA ARG 51 1.572 13.326 4.347 376 HB2 ARG 51 HB2 ARG 51 -0.541 14.777 4.161 377 HB3 ARG 51 HB3 ARG 51 0.312 14.885 5.688 378 HG2 ARG 51 HG2 ARG 51 1.135 17.040 5.246 379 HG3 ARG 51 HG3 ARG 51 1.073 16.827 3.508 380 HD2 ARG 51 HD2 ARG 51 -1.417 16.931 3.564 381 HD3 ARG 51 HD3 ARG 51 -1.386 17.084 5.309 382 HE ARG 51 HE ARG 51 0.258 19.125 4.069 383 HH11 ARG 51 HH22 ARG 51 -3.082 18.267 4.768 384 HH12 ARG 51 HH21 ARG 51 -3.638 19.908 4.766 385 HH21 ARG 51 HH12 ARG 51 -0.475 21.289 4.066 386 HH22 ARG 51 HH11 ARG 51 -2.145 21.638 4.363 387 H ASP 52 H ASP 52 3.148 13.246 2.290 388 HA ASP 52 HA ASP 52 1.547 13.323 0.071 389 HB2 ASP 52 HB2 ASP 52 2.109 15.886 0.530 390 HB3 ASP 52 HB3 ASP 52 3.660 15.480 -0.178 391 H VAL 53 H VAL 53 2.533 11.374 -0.570 392 HA VAL 53 HA VAL 53 4.054 10.030 -1.451 393 HB VAL 53 HB VAL 53 5.922 12.400 -1.584 394 HG11 VAL 53 HG11 VAL 53 7.312 10.818 -2.365 395 HG12 VAL 53 HG12 VAL 53 5.999 9.631 -2.559 396 HG13 VAL 53 HG13 VAL 53 6.302 10.839 -3.831 397 HG21 VAL 53 HG21 VAL 53 4.669 13.356 -3.164 398 HG22 VAL 53 HG22 VAL 53 4.559 11.829 -4.071 399 HG23 VAL 53 HG23 VAL 53 3.382 12.187 -2.785 400 H LYS 54 H LYS 54 5.869 12.397 0.636 401 HA LYS 54 HA LYS 54 7.748 10.782 1.650 402 HB2 LYS 54 HB2 LYS 54 6.362 13.201 2.511 403 HB3 LYS 54 HB3 LYS 54 6.902 12.243 3.874 404 HG2 LYS 54 HG2 LYS 54 9.132 12.069 2.308 405 HG3 LYS 54 HG3 LYS 54 8.520 13.615 1.754 406 HD2 LYS 54 HD2 LYS 54 8.242 14.053 4.398 407 HD3 LYS 54 HD3 LYS 54 9.492 12.829 4.499 408 HE2 LYS 54 HE2 LYS 54 9.769 15.221 2.636 409 HE3 LYS 54 HE3 LYS 54 10.245 15.318 4.319 410 HZ1 LYS 54 HZ1 LYS 54 11.250 12.997 3.028 411 HZ2 LYS 54 HZ2 LYS 54 11.769 14.374 2.320 412 HZ3 LYS 54 HZ3 LYS 54 12.043 14.120 3.909 413 H VAL 55 H VAL 55 4.437 11.160 3.108 414 HA VAL 55 HA VAL 55 4.594 9.376 5.105 415 HB VAL 55 HB VAL 55 2.158 8.904 4.595 416 HG11 VAL 55 HG11 VAL 55 3.290 11.689 4.880 417 HG12 VAL 55 HG12 VAL 55 1.534 11.393 4.894 418 HG13 VAL 55 HG13 VAL 55 2.575 10.635 6.123 419 HG21 VAL 55 HG21 VAL 55 1.728 9.090 2.364 420 HG22 VAL 55 HG22 VAL 55 1.365 10.768 2.835 421 HG23 VAL 55 HG23 VAL 55 2.944 10.366 2.119 422 H SER 56 H SER 56 3.613 8.509 1.709 423 HA SER 56 HA SER 56 3.408 5.853 2.047 424 HB2 SER 56 HB2 SER 56 3.408 7.595 -0.103 425 HB3 SER 56 HB3 SER 56 4.821 6.619 -0.452 426 HG SER 56 HG SER 56 3.054 4.816 0.253 427 H LEU 57 H LEU 57 6.408 7.774 1.408 428 HA LEU 57 HA LEU 57 8.167 5.678 1.091 429 HB2 LEU 57 HB2 LEU 57 8.252 8.514 1.508 430 HB3 LEU 57 HB3 LEU 57 9.479 7.754 2.502 431 HG LEU 57 HG LEU 57 9.589 6.569 -0.104 432 HD11 LEU 57 HD11 LEU 57 8.732 8.291 -1.314 433 HD12 LEU 57 HD12 LEU 57 9.127 9.511 -0.080 434 HD13 LEU 57 HD13 LEU 57 10.403 8.882 -1.150 435 HD21 LEU 57 HD21 LEU 57 11.864 7.960 0.043 436 HD22 LEU 57 HD22 LEU 57 11.369 8.069 1.750 437 HD23 LEU 57 HD23 LEU 57 11.579 6.476 0.983 438 H PHE 58 H PHE 58 6.921 7.236 4.094 439 HA PHE 58 HA PHE 58 8.580 5.697 5.795 440 HB2 PHE 58 HB2 PHE 58 6.199 7.558 5.912 441 HB3 PHE 58 HB3 PHE 58 6.411 6.515 7.305 442 HD1 PHE 58 HD1 PHE 58 8.654 6.590 8.522 443 HD2 PHE 58 HD2 PHE 58 7.477 9.511 5.678 444 HE1 PHE 58 HE1 PHE 58 10.352 8.184 9.457 445 HE2 PHE 58 HE2 PHE 58 9.175 11.106 6.613 446 HZ PHE 58 HZ PHE 58 10.592 10.423 8.492 447 H THR 59 H THR 59 5.524 5.139 4.134 448 HA THR 59 HA THR 59 4.596 3.110 5.919 449 HB THR 59 HB THR 59 3.875 4.101 3.125 450 HG1 THR 59 HG1 THR 59 2.692 3.976 5.810 451 HG21 THR 59 HG21 THR 59 3.018 1.921 2.895 452 HG22 THR 59 HG22 THR 59 2.891 1.681 4.654 453 HG23 THR 59 HG23 THR 59 1.695 2.688 3.804 454 H ALA 60 H ALA 60 6.257 3.094 2.703 455 HA ALA 60 HA ALA 60 6.369 0.283 2.579 456 HB1 ALA 60 HB1 ALA 60 6.862 0.945 0.487 457 HB2 ALA 60 HB2 ALA 60 7.213 2.601 1.039 458 HB3 ALA 60 HB3 ALA 60 8.492 1.363 1.067 459 H PHE 61 H PHE 61 8.533 2.834 3.895 460 HA PHE 61 HA PHE 61 10.757 1.233 4.321 461 HB2 PHE 61 HB2 PHE 61 10.383 3.805 4.508 462 HB3 PHE 61 HB3 PHE 61 9.642 3.506 6.067 463 HD1 PHE 61 HD2 PHE 61 12.773 2.404 4.336 464 HD2 PHE 61 HD1 PHE 61 11.002 3.998 7.847 465 HE1 PHE 61 HE2 PHE 61 15.031 2.506 5.429 466 HE2 PHE 61 HE1 PHE 61 13.260 4.100 8.940 467 HZ PHE 61 HZ PHE 61 15.247 3.352 7.718 468 H PHE 62 H PHE 62 8.131 2.171 6.662 469 HA PHE 62 HA PHE 62 9.068 0.587 8.739 470 HB2 PHE 62 HB2 PHE 62 6.605 2.040 7.858 471 HB3 PHE 62 HB3 PHE 62 6.254 0.705 8.938 472 HD1 PHE 62 HD1 PHE 62 7.847 0.629 11.089 473 HD2 PHE 62 HD2 PHE 62 6.992 4.102 8.806 474 HE1 PHE 62 HE1 PHE 62 8.435 2.068 13.059 475 HE2 PHE 62 HE2 PHE 62 7.580 5.542 10.777 476 HZ PHE 62 HZ PHE 62 8.294 4.508 12.880 477 H LEU 63 H LEU 63 6.773 -0.123 6.046 478 HA LEU 63 HA LEU 63 5.889 -2.580 6.981 479 HB2 LEU 63 HB2 LEU 63 5.893 -1.075 4.469 480 HB3 LEU 63 HB3 LEU 63 5.895 -2.812 4.238 481 HG LEU 63 HG LEU 63 3.630 -1.843 4.242 482 HD11 LEU 63 HD11 LEU 63 3.335 -4.014 4.769 483 HD12 LEU 63 HD12 LEU 63 4.514 -3.968 6.102 484 HD13 LEU 63 HD13 LEU 63 2.864 -3.350 6.352 485 HD21 LEU 63 HD21 LEU 63 2.684 -1.150 6.499 486 HD22 LEU 63 HD22 LEU 63 4.372 -0.989 7.042 487 HD23 LEU 63 HD23 LEU 63 3.772 0.006 5.693 488 H ALA 64 H ALA 64 8.199 -2.225 4.211 489 HA ALA 64 HA ALA 64 9.170 -4.751 4.245 490 HB1 ALA 64 HB1 ALA 64 11.329 -2.901 3.724 491 HB2 ALA 64 HB2 ALA 64 10.376 -3.865 2.571 492 HB3 ALA 64 HB3 ALA 64 9.811 -2.250 3.060 493 H THR 65 H THR 65 10.215 -1.958 6.277 494 HA THR 65 HA THR 65 12.439 -3.039 7.452 495 HB THR 65 HB THR 65 10.242 -1.135 8.342 496 HG1 THR 65 HG1 THR 65 11.986 0.279 7.846 497 HG21 THR 65 HG21 THR 65 11.075 -2.115 10.462 498 HG22 THR 65 HG22 THR 65 12.755 -1.947 9.898 499 HG23 THR 65 HG23 THR 65 11.781 -0.496 10.239 500 H ILE 66 H ILE 66 8.995 -3.510 8.457 501 HA ILE 66 HA ILE 66 9.734 -5.235 10.583 502 HB ILE 66 HB ILE 66 7.391 -5.583 10.855 503 HG12 ILE 66 HG12 ILE 66 6.531 -4.024 8.489 504 HG13 ILE 66 HG13 ILE 66 7.196 -5.607 8.136 505 HG21 ILE 66 HG21 ILE 66 8.630 -3.083 10.877 506 HG22 ILE 66 HG22 ILE 66 7.061 -2.805 10.084 507 HG23 ILE 66 HG23 ILE 66 7.121 -3.546 11.701 508 HD11 ILE 66 HD11 ILE 66 5.107 -6.384 8.613 509 HD12 ILE 66 HD12 ILE 66 5.568 -6.157 10.317 510 HD13 ILE 66 HD13 ILE 66 4.654 -4.889 9.466 511 H MET 67 H MET 67 9.152 -5.593 7.115 512 HA MET 67 HA MET 67 8.651 -8.356 7.214 513 HB2 MET 67 HB2 MET 67 8.508 -6.333 5.311 514 HB3 MET 67 HB3 MET 67 9.935 -7.192 4.768 515 HG2 MET 67 HG2 MET 67 8.013 -9.207 5.414 516 HG3 MET 67 HG3 MET 67 7.134 -7.972 4.535 517 HE1 MET 67 HE1 MET 67 7.957 -8.337 1.074 518 HE2 MET 67 HE2 MET 67 7.069 -7.575 2.416 519 HE3 MET 67 HE3 MET 67 8.659 -6.941 1.926 520 H GLY 68 H GLY 68 11.584 -6.424 6.256 521 HA2 GLY 68 HA2 GLY 68 13.524 -7.720 7.566 522 HA3 GLY 68 HA3 GLY 68 13.215 -8.824 6.241 523 H VAL 69 H VAL 69 13.858 -8.302 4.116 524 HA VAL 69 HA VAL 69 15.312 -5.756 3.894 525 HB VAL 69 HB VAL 69 15.909 -8.495 2.770 526 HG11 VAL 69 HG11 VAL 69 16.474 -5.923 1.608 527 HG12 VAL 69 HG12 VAL 69 17.996 -6.687 2.127 528 HG13 VAL 69 HG13 VAL 69 16.904 -7.546 1.015 529 HG21 VAL 69 HG21 VAL 69 18.036 -6.984 4.121 530 HG22 VAL 69 HG22 VAL 69 16.646 -7.349 5.170 531 HG23 VAL 69 HG23 VAL 69 17.506 -8.669 4.341 532 H ARG 70 H ARG 70 14.630 -4.373 2.326 533 HA ARG 70 HA ARG 70 12.297 -4.539 1.125 534 HB2 ARG 70 HB2 ARG 70 14.371 -2.772 1.011 535 HB3 ARG 70 HB3 ARG 70 14.490 -3.425 -0.611 536 HG2 ARG 70 HG2 ARG 70 11.791 -3.020 -0.499 537 HG3 ARG 70 HG3 ARG 70 12.310 -1.773 0.618 538 HD2 ARG 70 HD2 ARG 70 12.554 -0.530 -1.305 539 HD3 ARG 70 HD3 ARG 70 14.112 -1.329 -1.382 540 HE ARG 70 HE ARG 70 12.182 -3.031 -2.625 541 HH11 ARG 70 HH22 ARG 70 13.773 0.061 -3.162 542 HH12 ARG 70 HH21 ARG 70 13.648 -0.030 -4.888 543 HH21 ARG 70 HH12 ARG 70 12.017 -3.152 -4.901 544 HH22 ARG 70 HH11 ARG 70 12.643 -1.869 -5.883 545 H PHE 71 H PHE 71 15.397 -5.344 -0.627 546 HA PHE 71 HA PHE 71 13.930 -6.676 -2.692 547 HB2 PHE 71 HB2 PHE 71 15.989 -5.456 -3.223 548 HB3 PHE 71 HB3 PHE 71 16.858 -6.219 -1.906 549 HD1 PHE 71 HD1 PHE 71 15.436 -6.786 -5.264 550 HD2 PHE 71 HD2 PHE 71 17.948 -8.313 -2.203 551 HE1 PHE 71 HE1 PHE 71 16.308 -8.526 -6.848 552 HE2 PHE 71 HE2 PHE 71 18.820 -10.053 -3.788 553 HZ PHE 71 HZ PHE 71 17.989 -10.139 -6.091 554 H LYS 72 H LYS 72 14.359 -8.951 -3.346 555 HA LYS 72 HA LYS 72 15.652 -10.762 -1.676 556 HB2 LYS 72 HB2 LYS 72 13.935 -10.227 -0.028 557 HB3 LYS 72 HB3 LYS 72 12.666 -10.568 -1.186 558 HG2 LYS 72 HG2 LYS 72 12.761 -12.786 -0.723 559 HG3 LYS 72 HG3 LYS 72 14.471 -12.837 -1.103 560 HD2 LYS 72 HD2 LYS 72 13.621 -11.659 1.548 561 HD3 LYS 72 HD3 LYS 72 13.585 -13.401 1.359 562 HE2 LYS 72 HE2 LYS 72 16.056 -12.899 0.307 563 HE3 LYS 72 HE3 LYS 72 15.940 -11.542 1.410 564 HZ1 LYS 72 HZ1 LYS 72 15.099 -14.035 2.530 565 HZ2 LYS 72 HZ2 LYS 72 16.677 -13.997 2.113 566 HZ3 LYS 72 HZ3 LYS 72 16.082 -12.890 3.155 567 H ARG 73 H ARG 73 12.445 -10.735 -3.394 568 HA ARG 73 HA ARG 73 11.816 -11.642 -5.259 569 HB2 ARG 73 HB2 ARG 73 14.658 -11.293 -5.727 570 HB3 ARG 73 HB3 ARG 73 14.172 -12.823 -6.432 571 HG2 ARG 73 HG2 ARG 73 13.376 -11.649 -8.204 572 HG3 ARG 73 HG3 ARG 73 12.087 -11.083 -7.160 573 HD2 ARG 73 HD2 ARG 73 13.786 -9.241 -6.388 574 HD3 ARG 73 HD3 ARG 73 14.722 -9.699 -7.797 575 HE ARG 73 HE ARG 73 12.129 -8.306 -7.789 576 HH11 ARG 73 HH22 ARG 73 14.455 -10.130 -9.698 577 HH12 ARG 73 HH21 ARG 73 13.879 -9.522 -11.215 578 HH21 ARG 73 HH12 ARG 73 11.369 -7.504 -9.789 579 HH22 ARG 73 HH11 ARG 73 12.112 -8.019 -11.267 580 H SER 74 H SER 74 10.993 -13.723 -5.816 581 HA SER 74 HA SER 74 12.421 -16.012 -4.823 582 HB2 SER 74 HB2 SER 74 9.992 -16.746 -3.892 583 HB3 SER 74 HB3 SER 74 11.187 -15.949 -2.887 584 HG SER 74 HG SER 74 8.873 -15.056 -2.994 585 H LYS 75 H LYS 75 11.138 -18.108 -5.515 586 HA LYS 75 HA LYS 75 9.717 -17.536 -8.020 587 HB2 LYS 75 HB2 LYS 75 12.108 -19.235 -7.513 588 HB3 LYS 75 HB3 LYS 75 10.888 -19.902 -8.579 589 HG2 LYS 75 HG2 LYS 75 11.085 -18.117 -10.140 590 HG3 LYS 75 HG3 LYS 75 11.818 -17.041 -8.967 591 HD2 LYS 75 HD2 LYS 75 13.815 -18.682 -8.905 592 HD3 LYS 75 HD3 LYS 75 13.099 -19.465 -10.300 593 HE2 LYS 75 HE2 LYS 75 13.562 -17.685 -11.724 594 HE3 LYS 75 HE3 LYS 75 13.380 -16.482 -10.463 595 HZ1 LYS 75 HZ1 LYS 75 15.655 -16.678 -11.040 596 HZ2 LYS 75 HZ2 LYS 75 15.483 -17.292 -9.536 597 HZ3 LYS 75 HZ3 LYS 75 15.663 -18.295 -10.812 598 H LYS 76 H LYS 76 8.118 -17.650 -5.926 599 HA LYS 76 HA LYS 76 6.723 -20.103 -6.329 600 HB2 LYS 76 HB2 LYS 76 8.583 -19.989 -4.151 601 HB3 LYS 76 HB3 LYS 76 6.961 -19.995 -3.488 602 HG2 LYS 76 HG2 LYS 76 6.484 -22.115 -4.283 603 HG3 LYS 76 HG3 LYS 76 7.419 -21.896 -5.750 604 HD2 LYS 76 HD2 LYS 76 9.538 -22.097 -4.394 605 HD3 LYS 76 HD3 LYS 76 8.571 -22.393 -2.963 606 HE2 LYS 76 HE2 LYS 76 8.376 -24.110 -5.480 607 HE3 LYS 76 HE3 LYS 76 9.456 -24.486 -4.152 608 HZ1 LYS 76 HZ1 LYS 76 6.580 -24.079 -3.755 609 HZ2 LYS 76 HZ2 LYS 76 7.220 -25.544 -4.087 610 HZ3 LYS 76 HZ3 LYS 76 7.645 -24.758 -2.720 611 H ILE 77 H ILE 77 6.957 -17.656 -3.652 612 HA ILE 77 HA ILE 77 4.135 -17.086 -4.111 613 HB ILE 77 HB ILE 77 5.216 -17.701 -1.846 614 HG12 ILE 77 HG12 ILE 77 3.561 -15.234 -1.590 615 HG13 ILE 77 HG13 ILE 77 2.886 -16.554 -2.525 616 HG21 ILE 77 HG21 ILE 77 7.037 -15.952 -2.140 617 HG22 ILE 77 HG22 ILE 77 5.791 -14.737 -1.766 618 HG23 ILE 77 HG23 ILE 77 6.204 -15.985 -0.567 619 HD11 ILE 77 HD11 ILE 77 2.349 -16.593 -0.027 620 HD12 ILE 77 HD12 ILE 77 3.061 -18.092 -0.670 621 HD13 ILE 77 HD13 ILE 77 4.069 -16.954 0.256 622 H MET 78 H MET 78 7.401 -15.609 -4.143 623 HA MET 78 HA MET 78 8.046 -13.550 -4.615 624 HB2 MET 78 HB2 MET 78 7.214 -14.928 -6.837 625 HB3 MET 78 HB3 MET 78 6.180 -13.522 -6.988 626 HG2 MET 78 HG2 MET 78 8.751 -12.485 -6.342 627 HG3 MET 78 HG3 MET 78 9.050 -13.758 -7.509 628 HE1 MET 78 HE1 MET 78 8.883 -10.104 -9.255 629 HE2 MET 78 HE2 MET 78 9.460 -10.600 -7.646 630 HE3 MET 78 HE3 MET 78 9.951 -11.519 -9.090 631 HA PRO 79 HA PRO 79 4.521 -11.192 -3.123 632 HB2 PRO 79 HB2 PRO 79 5.830 -9.888 -1.110 633 HB3 PRO 79 HB3 PRO 79 4.977 -11.400 -0.876 634 HG2 PRO 79 HG2 PRO 79 7.890 -10.921 -1.036 635 HG3 PRO 79 HG3 PRO 79 7.040 -12.311 -0.392 636 HD2 PRO 79 HD2 PRO 79 8.378 -12.138 -2.923 637 HD3 PRO 79 HD3 PRO 79 7.431 -13.487 -2.328 638 H ALA 80 H ALA 80 5.457 -10.564 -5.496 639 HA ALA 80 HA ALA 80 6.883 -8.115 -5.462 640 HB1 ALA 80 HB1 ALA 80 5.159 -8.942 -7.775 641 HB2 ALA 80 HB2 ALA 80 6.827 -8.321 -7.761 642 HB3 ALA 80 HB3 ALA 80 6.503 -10.011 -7.306 643 H GLY 81 H GLY 81 3.419 -9.073 -5.600 644 HA2 GLY 81 HA2 GLY 81 2.071 -6.915 -6.340 645 HA3 GLY 81 HA3 GLY 81 1.624 -7.841 -4.922 646 H LEU 82 H LEU 82 3.766 -7.237 -3.150 647 HA LEU 82 HA LEU 82 2.914 -4.968 -1.935 648 HB2 LEU 82 HB2 LEU 82 4.820 -6.895 -1.490 649 HB3 LEU 82 HB3 LEU 82 5.795 -5.448 -1.657 650 HG LEU 82 HG LEU 82 5.315 -5.784 0.662 651 HD11 LEU 82 HD11 LEU 82 5.023 -3.612 1.057 652 HD12 LEU 82 HD12 LEU 82 4.770 -3.429 -0.696 653 HD13 LEU 82 HD13 LEU 82 3.373 -3.627 0.390 654 HD21 LEU 82 HD21 LEU 82 3.351 -7.216 0.450 655 HD22 LEU 82 HD22 LEU 82 3.042 -5.870 1.573 656 HD23 LEU 82 HD23 LEU 82 2.375 -5.823 -0.076 657 H VAL 83 H VAL 83 5.882 -5.199 -4.029 658 HA VAL 83 HA VAL 83 6.315 -2.447 -4.085 659 HB VAL 83 HB VAL 83 7.789 -2.950 -5.959 660 HG11 VAL 83 HG11 VAL 83 8.736 -3.375 -3.824 661 HG12 VAL 83 HG12 VAL 83 7.828 -4.895 -3.638 662 HG13 VAL 83 HG13 VAL 83 9.145 -4.786 -4.829 663 HG21 VAL 83 HG21 VAL 83 7.722 -4.825 -7.251 664 HG22 VAL 83 HG22 VAL 83 7.154 -5.861 -5.920 665 HG23 VAL 83 HG23 VAL 83 6.009 -4.795 -6.769 666 H ALA 84 H ALA 84 4.103 -4.565 -5.868 667 HA ALA 84 HA ALA 84 3.615 -2.829 -8.024 668 HB1 ALA 84 HB1 ALA 84 1.411 -4.574 -7.063 669 HB2 ALA 84 HB2 ALA 84 2.177 -4.475 -8.667 670 HB3 ALA 84 HB3 ALA 84 2.960 -5.398 -7.362 671 H GLY 85 H GLY 85 2.425 -3.024 -4.669 672 HA2 GLY 85 HA2 GLY 85 0.223 -1.232 -5.080 673 HA3 GLY 85 HA3 GLY 85 0.867 -1.811 -3.557 674 H LEU 86 H LEU 86 3.485 -0.982 -3.480 675 HA LEU 86 HA LEU 86 3.324 1.633 -2.708 676 HB2 LEU 86 HB2 LEU 86 5.089 0.227 -1.976 677 HB3 LEU 86 HB3 LEU 86 5.652 -0.052 -3.612 678 HG LEU 86 HG LEU 86 6.288 2.360 -3.764 679 HD11 LEU 86 HD11 LEU 86 5.577 3.838 -2.276 680 HD12 LEU 86 HD12 LEU 86 4.770 2.541 -1.362 681 HD13 LEU 86 HD13 LEU 86 6.454 2.980 -0.987 682 HD21 LEU 86 HD21 LEU 86 7.877 1.641 -1.452 683 HD22 LEU 86 HD22 LEU 86 7.612 0.237 -2.514 684 HD23 LEU 86 HD23 LEU 86 8.332 1.727 -3.170 685 H SER 87 H SER 87 4.338 0.291 -5.910 686 HA SER 87 HA SER 87 4.953 2.775 -6.994 687 HB2 SER 87 HB2 SER 87 5.500 0.359 -7.829 688 HB3 SER 87 HB3 SER 87 3.932 0.416 -8.610 689 HG SER 87 HG SER 87 6.300 1.561 -9.402 690 H LEU 88 H LEU 88 2.038 0.639 -7.483 691 HA LEU 88 HA LEU 88 0.534 2.212 -9.052 692 HB2 LEU 88 HB2 LEU 88 0.061 -0.077 -8.040 693 HB3 LEU 88 HB3 LEU 88 -0.597 0.775 -6.658 694 HG LEU 88 HG LEU 88 -2.163 1.956 -8.298 695 HD11 LEU 88 HD11 LEU 88 -0.676 0.230 -10.144 696 HD12 LEU 88 HD12 LEU 88 -2.444 0.090 -10.297 697 HD13 LEU 88 HD13 LEU 88 -1.660 1.680 -10.457 698 HD21 LEU 88 HD21 LEU 88 -3.249 0.458 -6.941 699 HD22 LEU 88 HD22 LEU 88 -3.560 -0.258 -8.541 700 HD23 LEU 88 HD23 LEU 88 -2.281 -0.928 -7.500 701 H MET 89 H MET 89 1.028 2.580 -5.500 702 HA MET 89 HA MET 89 -0.817 4.628 -5.194 703 HB2 MET 89 HB2 MET 89 1.611 3.596 -3.702 704 HB3 MET 89 HB3 MET 89 0.947 5.137 -3.195 705 HG2 MET 89 HG2 MET 89 -1.242 4.137 -2.757 706 HG3 MET 89 HG3 MET 89 -0.760 2.623 -3.496 707 HE1 MET 89 HE1 MET 89 -0.828 1.012 -2.313 708 HE2 MET 89 HE2 MET 89 0.683 0.571 -1.482 709 HE3 MET 89 HE3 MET 89 -0.785 0.917 -0.536 710 H MET 90 H MET 90 2.806 4.768 -5.533 711 HA MET 90 HA MET 90 3.075 7.460 -5.471 712 HB2 MET 90 HB2 MET 90 4.861 5.586 -5.635 713 HB3 MET 90 HB3 MET 90 4.592 5.587 -7.366 714 HG2 MET 90 HG2 MET 90 4.959 8.326 -6.622 715 HG3 MET 90 HG3 MET 90 6.197 7.422 -5.773 716 HE1 MET 90 HE1 MET 90 8.786 6.830 -8.057 717 HE2 MET 90 HE2 MET 90 8.023 6.652 -6.458 718 HE3 MET 90 HE3 MET 90 7.847 5.367 -7.677 719 H ILE 91 H ILE 91 2.559 5.390 -8.416 720 HA ILE 91 HA ILE 91 2.589 7.388 -10.291 721 HB ILE 91 HB ILE 91 0.984 4.834 -10.187 722 HG12 ILE 91 HG12 ILE 91 3.596 4.888 -10.050 723 HG13 ILE 91 HG13 ILE 91 2.786 3.744 -11.102 724 HG21 ILE 91 HG21 ILE 91 1.364 5.306 -12.829 725 HG22 ILE 91 HG22 ILE 91 -0.114 5.734 -11.934 726 HG23 ILE 91 HG23 ILE 91 1.137 6.966 -12.228 727 HD11 ILE 91 HD11 ILE 91 4.768 5.497 -11.906 728 HD12 ILE 91 HD12 ILE 91 3.595 4.725 -13.000 729 HD13 ILE 91 HD13 ILE 91 3.292 6.368 -12.387 730 H LEU 92 H LEU 92 -0.280 6.087 -8.481 731 HA LEU 92 HA LEU 92 -2.136 7.814 -9.569 732 HB2 LEU 92 HB2 LEU 92 -1.938 5.958 -7.359 733 HB3 LEU 92 HB3 LEU 92 -2.892 7.357 -6.910 734 HG LEU 92 HG LEU 92 -3.440 5.845 -9.463 735 HD11 LEU 92 HD11 LEU 92 -5.339 5.050 -7.544 736 HD12 LEU 92 HD12 LEU 92 -4.096 4.052 -8.335 737 HD13 LEU 92 HD13 LEU 92 -3.745 4.842 -6.779 738 HD21 LEU 92 HD21 LEU 92 -5.008 7.763 -7.735 739 HD22 LEU 92 HD22 LEU 92 -4.540 7.928 -9.445 740 HD23 LEU 92 HD23 LEU 92 -5.772 6.734 -8.971 741 H ARG 93 H ARG 93 0.383 8.347 -7.135 742 HA ARG 93 HA ARG 93 -0.763 10.703 -6.130 743 HB2 ARG 93 HB2 ARG 93 1.605 9.086 -5.673 744 HB3 ARG 93 HB3 ARG 93 2.101 10.760 -5.819 745 HG2 ARG 93 HG2 ARG 93 1.443 11.055 -3.668 746 HG3 ARG 93 HG3 ARG 93 -0.212 10.894 -4.220 747 HD2 ARG 93 HD2 ARG 93 1.261 8.318 -3.815 748 HD3 ARG 93 HD3 ARG 93 0.939 9.237 -2.359 749 HE ARG 93 HE ARG 93 -1.037 7.889 -4.042 750 HH11 ARG 93 HH22 ARG 93 -0.549 10.475 -1.706 751 HH12 ARG 93 HH21 ARG 93 -2.203 10.497 -1.193 752 HH21 ARG 93 HH12 ARG 93 -3.219 7.917 -3.365 753 HH22 ARG 93 HH11 ARG 93 -3.732 9.032 -2.143 754 H LEU 94 H LEU 94 1.451 9.865 -8.809 755 HA LEU 94 HA LEU 94 2.580 12.312 -9.327 756 HB2 LEU 94 HB2 LEU 94 2.367 9.787 -10.560 757 HB3 LEU 94 HB3 LEU 94 1.876 10.958 -11.768 758 HG LEU 94 HG LEU 94 4.240 11.948 -10.495 759 HD11 LEU 94 HD11 LEU 94 5.703 10.259 -10.329 760 HD12 LEU 94 HD12 LEU 94 4.255 9.231 -10.210 761 HD13 LEU 94 HD13 LEU 94 5.076 9.434 -11.776 762 HD21 LEU 94 HD21 LEU 94 5.153 11.730 -12.813 763 HD22 LEU 94 HD22 LEU 94 3.645 10.906 -13.275 764 HD23 LEU 94 HD23 LEU 94 3.600 12.593 -12.708 765 H VAL 95 H VAL 95 -0.691 11.067 -10.132 766 HA VAL 95 HA VAL 95 -1.320 13.444 -11.625 767 HB VAL 95 HB VAL 95 -2.845 10.989 -10.766 768 HG11 VAL 95 HG11 VAL 95 -4.711 12.246 -10.883 769 HG12 VAL 95 HG12 VAL 95 -3.876 13.587 -11.705 770 HG13 VAL 95 HG13 VAL 95 -4.449 12.187 -12.643 771 HG21 VAL 95 HG21 VAL 95 -1.143 11.582 -12.955 772 HG22 VAL 95 HG22 VAL 95 -2.132 10.125 -12.693 773 HG23 VAL 95 HG23 VAL 95 -2.801 11.505 -13.597 774 H LEU 96 H LEU 96 -2.335 11.925 -8.488 775 HA LEU 96 HA LEU 96 -4.076 13.845 -7.651 776 HB2 LEU 96 HB2 LEU 96 -2.498 11.718 -6.477 777 HB3 LEU 96 HB3 LEU 96 -2.659 13.066 -5.369 778 HG LEU 96 HG LEU 96 -4.395 11.322 -5.083 779 HD11 LEU 96 HD11 LEU 96 -6.046 13.599 -5.954 780 HD12 LEU 96 HD12 LEU 96 -5.865 12.848 -4.350 781 HD13 LEU 96 HD13 LEU 96 -4.665 14.034 -4.918 782 HD21 LEU 96 HD21 LEU 96 -4.491 10.938 -7.661 783 HD22 LEU 96 HD22 LEU 96 -5.962 10.743 -6.677 784 HD23 LEU 96 HD23 LEU 96 -5.714 12.231 -7.622 785 H LEU 97 H LEU 97 -0.518 13.951 -7.801 786 HA LEU 97 HA LEU 97 0.085 15.969 -6.113 787 HB2 LEU 97 HB2 LEU 97 1.405 14.576 -7.991 788 HB3 LEU 97 HB3 LEU 97 1.285 16.114 -8.822 789 HG LEU 97 HG LEU 97 3.400 15.851 -7.589 790 HD11 LEU 97 HD11 LEU 97 3.183 18.075 -7.780 791 HD12 LEU 97 HD12 LEU 97 1.504 18.069 -7.189 792 HD13 LEU 97 HD13 LEU 97 2.855 18.022 -6.031 793 HD21 LEU 97 HD21 LEU 97 3.548 15.706 -5.236 794 HD22 LEU 97 HD22 LEU 97 1.808 16.012 -5.026 795 HD23 LEU 97 HD23 LEU 97 2.363 14.474 -5.730 796 H LEU 98 H LEU 98 -1.050 16.375 -9.541 797 HA LEU 98 HA LEU 98 -1.155 19.147 -9.454 798 HB2 LEU 98 HB2 LEU 98 -1.983 16.993 -11.203 799 HB3 LEU 98 HB3 LEU 98 -3.170 18.283 -11.193 800 HG LEU 98 HG LEU 98 -0.909 19.750 -11.481 801 HD11 LEU 98 HD11 LEU 98 0.592 17.856 -11.539 802 HD12 LEU 98 HD12 LEU 98 -0.347 17.107 -12.853 803 HD13 LEU 98 HD13 LEU 98 0.536 18.625 -13.144 804 HD21 LEU 98 HD21 LEU 98 -2.171 20.396 -13.184 805 HD22 LEU 98 HD22 LEU 98 -1.612 18.980 -14.108 806 HD23 LEU 98 HD23 LEU 98 -3.093 18.875 -13.126 807 H LEU 99 H LEU 99 -3.751 16.686 -8.839 808 HA LEU 99 HA LEU 99 -5.827 18.363 -8.350 809 HB2 LEU 99 HB2 LEU 99 -5.028 15.656 -7.486 810 HB3 LEU 99 HB3 LEU 99 -6.238 16.434 -6.485 811 HG LEU 99 HG LEU 99 -7.547 16.866 -8.640 812 HD11 LEU 99 HD11 LEU 99 -5.296 15.210 -9.685 813 HD12 LEU 99 HD12 LEU 99 -6.927 14.924 -10.338 814 HD13 LEU 99 HD13 LEU 99 -6.196 16.543 -10.447 815 HD21 LEU 99 HD21 LEU 99 -7.526 14.746 -6.855 816 HD22 LEU 99 HD22 LEU 99 -8.806 15.133 -8.030 817 HD23 LEU 99 HD23 LEU 99 -7.538 13.957 -8.451 Start of MODEL 12 1 H MET 1 H1 MET 1 -20.375 -12.803 -19.204 2 HA MET 1 HA MET 1 -18.503 -12.251 -20.376 3 HB2 MET 1 HB2 MET 1 -18.351 -14.899 -18.930 4 HB3 MET 1 HB3 MET 1 -16.940 -14.442 -19.864 5 HG2 MET 1 HG2 MET 1 -18.128 -12.331 -18.076 6 HG3 MET 1 HG3 MET 1 -17.298 -13.659 -17.290 7 HE1 MET 1 HE1 MET 1 -15.877 -10.017 -19.029 8 HE2 MET 1 HE2 MET 1 -16.120 -10.952 -20.524 9 HE3 MET 1 HE3 MET 1 -17.446 -10.792 -19.348 10 H ASP 2 H ASP 2 -17.075 -12.519 -22.192 11 HA ASP 2 HA ASP 2 -16.482 -13.153 -24.179 12 HB2 ASP 2 HB2 ASP 2 -17.299 -15.714 -22.930 13 HB3 ASP 2 HB3 ASP 2 -17.414 -15.742 -24.678 14 H LEU 3 H LEU 3 -17.567 -12.318 -25.968 15 HA LEU 3 HA LEU 3 -19.242 -11.701 -27.283 16 HB2 LEU 3 HB2 LEU 3 -18.879 -14.440 -27.456 17 HB3 LEU 3 HB3 LEU 3 -20.617 -14.275 -27.307 18 HG LEU 3 HG LEU 3 -19.963 -14.353 -29.639 19 HD11 LEU 3 HD11 LEU 3 -21.482 -12.833 -30.312 20 HD12 LEU 3 HD12 LEU 3 -21.726 -12.602 -28.564 21 HD13 LEU 3 HD13 LEU 3 -20.676 -11.487 -29.471 22 HD21 LEU 3 HD21 LEU 3 -17.793 -13.611 -29.838 23 HD22 LEU 3 HD22 LEU 3 -18.698 -12.233 -30.508 24 HD23 LEU 3 HD23 LEU 3 -18.076 -12.163 -28.842 25 H ILE 4 H ILE 4 -20.057 -10.292 -25.527 26 HA ILE 4 HA ILE 4 -22.818 -10.641 -25.200 27 HB ILE 4 HB ILE 4 -21.967 -12.347 -23.573 28 HG12 ILE 4 HG12 ILE 4 -23.409 -11.264 -21.633 29 HG13 ILE 4 HG13 ILE 4 -23.787 -10.074 -22.862 30 HG21 ILE 4 HG21 ILE 4 -21.081 -11.551 -21.424 31 HG22 ILE 4 HG22 ILE 4 -19.985 -11.182 -22.778 32 HG23 ILE 4 HG23 ILE 4 -20.997 -9.897 -22.076 33 HD11 ILE 4 HD11 ILE 4 -24.122 -13.091 -23.199 34 HD12 ILE 4 HD12 ILE 4 -25.435 -11.941 -22.849 35 HD13 ILE 4 HD13 ILE 4 -24.564 -11.852 -24.398 36 H GLY 5 H GLY 5 -23.796 -8.692 -24.528 37 HA2 GLY 5 HA2 GLY 5 -22.575 -6.341 -25.075 38 HA3 GLY 5 HA3 GLY 5 -23.913 -6.510 -23.957 39 H PHE 6 H PHE 6 -20.441 -6.038 -24.307 40 HA PHE 6 HA PHE 6 -19.558 -6.568 -21.761 41 HB2 PHE 6 HB2 PHE 6 -18.859 -4.906 -24.138 42 HB3 PHE 6 HB3 PHE 6 -18.232 -4.226 -22.650 43 HD1 PHE 6 HD1 PHE 6 -18.143 -7.169 -24.863 44 HD2 PHE 6 HD2 PHE 6 -16.417 -5.261 -21.488 45 HE1 PHE 6 HE1 PHE 6 -16.211 -8.769 -24.946 46 HE2 PHE 6 HE2 PHE 6 -14.485 -6.862 -21.571 47 HZ PHE 6 HZ PHE 6 -14.405 -8.596 -23.299 48 H GLY 7 H GLY 7 -20.708 -3.379 -23.088 49 HA2 GLY 7 HA2 GLY 7 -20.476 -1.725 -21.014 50 HA3 GLY 7 HA3 GLY 7 -21.903 -1.757 -22.031 51 H TYR 8 H TYR 8 -23.333 -3.953 -21.408 52 HA TYR 8 HA TYR 8 -24.636 -3.360 -19.099 53 HB2 TYR 8 HB2 TYR 8 -25.361 -4.930 -20.929 54 HB3 TYR 8 HB3 TYR 8 -24.065 -6.035 -20.518 55 HD1 TYR 8 HD1 TYR 8 -27.256 -4.583 -19.272 56 HD2 TYR 8 HD2 TYR 8 -24.344 -7.686 -18.828 57 HE1 TYR 8 HE1 TYR 8 -28.805 -5.820 -17.680 58 HE2 TYR 8 HE2 TYR 8 -25.903 -8.912 -17.238 59 HH TYR 8 HH TYR 8 -29.120 -7.595 -16.495 60 H ALA 9 H ALA 9 -22.000 -5.818 -19.533 61 HA ALA 9 HA ALA 9 -22.007 -6.750 -16.925 62 HB1 ALA 9 HB1 ALA 9 -19.342 -6.646 -18.101 63 HB2 ALA 9 HB2 ALA 9 -20.386 -8.053 -17.784 64 HB3 ALA 9 HB3 ALA 9 -20.557 -7.142 -19.304 65 H ALA 10 H ALA 10 -20.517 -3.851 -18.415 66 HA ALA 10 HA ALA 10 -18.922 -3.208 -16.169 67 HB1 ALA 10 HB1 ALA 10 -19.344 -2.291 -18.821 68 HB2 ALA 10 HB2 ALA 10 -19.682 -0.908 -17.752 69 HB3 ALA 10 HB3 ALA 10 -18.111 -1.740 -17.662 70 H LEU 11 H LEU 11 -22.315 -2.713 -17.082 71 HA LEU 11 HA LEU 11 -22.790 -0.623 -15.227 72 HB2 LEU 11 HB2 LEU 11 -24.081 -1.444 -17.369 73 HB3 LEU 11 HB3 LEU 11 -24.928 -2.460 -16.220 74 HG LEU 11 HG LEU 11 -24.747 0.351 -15.377 75 HD11 LEU 11 HD11 LEU 11 -26.092 -0.366 -17.985 76 HD12 LEU 11 HD12 LEU 11 -26.572 1.041 -17.005 77 HD13 LEU 11 HD13 LEU 11 -24.919 0.932 -17.657 78 HD21 LEU 11 HD21 LEU 11 -26.700 -1.887 -15.369 79 HD22 LEU 11 HD22 LEU 11 -26.247 -0.744 -14.082 80 HD23 LEU 11 HD23 LEU 11 -27.364 -0.236 -15.371 81 H VAL 12 H VAL 12 -23.060 -4.211 -15.175 82 HA VAL 12 HA VAL 12 -24.327 -4.360 -12.681 83 HB VAL 12 HB VAL 12 -22.613 -6.258 -14.280 84 HG11 VAL 12 HG11 VAL 12 -22.356 -6.886 -11.947 85 HG12 VAL 12 HG12 VAL 12 -24.117 -6.814 -11.701 86 HG13 VAL 12 HG13 VAL 12 -23.418 -8.055 -12.769 87 HG21 VAL 12 HG21 VAL 12 -24.551 -7.082 -15.166 88 HG22 VAL 12 HG22 VAL 12 -25.509 -6.710 -13.713 89 HG23 VAL 12 HG23 VAL 12 -25.084 -5.412 -14.856 90 H THR 13 H THR 13 -20.836 -4.564 -13.648 91 HA THR 13 HA THR 13 -19.805 -4.945 -11.104 92 HB THR 13 HB THR 13 -17.725 -3.920 -12.218 93 HG1 THR 13 HG1 THR 13 -18.114 -3.123 -14.343 94 HG21 THR 13 HG21 THR 13 -18.508 -5.551 -14.458 95 HG22 THR 13 HG22 THR 13 -17.444 -6.005 -13.106 96 HG23 THR 13 HG23 THR 13 -19.197 -6.295 -12.995 97 H PHE 14 H PHE 14 -20.469 -1.844 -12.849 98 HA PHE 14 HA PHE 14 -19.479 -0.145 -10.945 99 HB2 PHE 14 HB2 PHE 14 -21.052 -0.116 -13.321 100 HB3 PHE 14 HB3 PHE 14 -22.081 0.662 -12.136 101 HD1 PHE 14 HD1 PHE 14 -18.404 0.774 -12.815 102 HD2 PHE 14 HD2 PHE 14 -22.023 2.946 -12.376 103 HE1 PHE 14 HE1 PHE 14 -17.152 2.925 -13.140 104 HE2 PHE 14 HE2 PHE 14 -20.771 5.097 -12.700 105 HZ PHE 14 HZ PHE 14 -18.351 5.061 -13.079 106 H GLY 15 H GLY 15 -22.915 -1.306 -11.270 107 HA2 GLY 15 HA2 GLY 15 -23.867 -0.068 -8.949 108 HA3 GLY 15 HA3 GLY 15 -24.578 -1.445 -9.766 109 H SER 16 H SER 16 -23.297 -3.629 -9.414 110 HA SER 16 HA SER 16 -23.564 -4.433 -6.913 111 HB2 SER 16 HB2 SER 16 -21.870 -5.320 -9.198 112 HB3 SER 16 HB3 SER 16 -21.389 -5.958 -7.638 113 HG SER 16 HG SER 16 -23.788 -6.508 -7.399 114 H ILE 17 H ILE 17 -20.383 -3.347 -8.323 115 HA ILE 17 HA ILE 17 -18.865 -3.520 -6.068 116 HB ILE 17 HB ILE 17 -18.785 -1.562 -8.358 117 HG12 ILE 17 HG12 ILE 17 -16.978 -3.927 -7.846 118 HG13 ILE 17 HG13 ILE 17 -18.499 -4.098 -8.699 119 HG21 ILE 17 HG21 ILE 17 -17.437 -1.301 -5.899 120 HG22 ILE 17 HG22 ILE 17 -16.238 -1.915 -7.062 121 HG23 ILE 17 HG23 ILE 17 -17.135 -0.419 -7.415 122 HD11 ILE 17 HD11 ILE 17 -16.090 -2.421 -9.495 123 HD12 ILE 17 HD12 ILE 17 -16.868 -3.738 -10.406 124 HD13 ILE 17 HD13 ILE 17 -17.693 -2.171 -10.228 125 H PHE 18 H PHE 18 -20.989 -0.787 -7.120 126 HA PHE 18 HA PHE 18 -20.358 0.967 -5.101 127 HB2 PHE 18 HB2 PHE 18 -21.954 1.003 -7.254 128 HB3 PHE 18 HB3 PHE 18 -23.192 0.464 -6.137 129 HD1 PHE 18 HD1 PHE 18 -21.037 3.254 -7.107 130 HD2 PHE 18 HD2 PHE 18 -24.045 1.951 -4.412 131 HE1 PHE 18 HE1 PHE 18 -21.463 5.633 -6.431 132 HE2 PHE 18 HE2 PHE 18 -24.471 4.330 -3.737 133 HZ PHE 18 HZ PHE 18 -23.175 6.143 -4.754 134 H GLY 19 H GLY 19 -22.613 -1.834 -5.110 135 HA2 GLY 19 HA2 GLY 19 -23.675 -1.215 -2.505 136 HA3 GLY 19 HA3 GLY 19 -23.969 -2.645 -3.475 137 H TYR 20 H TYR 20 -20.843 -2.838 -3.806 138 HA TYR 20 HA TYR 20 -19.230 -4.046 -2.880 139 HB2 TYR 20 HB2 TYR 20 -20.220 -2.063 -0.956 140 HB3 TYR 20 HB3 TYR 20 -19.721 -3.489 -0.067 141 HD1 TYR 20 HD2 TYR 20 -18.521 -1.005 -2.584 142 HD2 TYR 20 HD1 TYR 20 -17.442 -3.882 0.394 143 HE1 TYR 20 HE2 TYR 20 -16.096 -0.253 -2.725 144 HE2 TYR 20 HE1 TYR 20 -15.021 -3.119 0.243 145 HH TYR 20 HH TYR 20 -13.602 -1.827 -0.740 146 H LYS 21 H LYS 21 -19.652 -6.211 -3.109 147 HA LYS 21 HA LYS 21 -20.491 -7.634 -0.810 148 HB2 LYS 21 HB2 LYS 21 -22.691 -6.776 -1.751 149 HB3 LYS 21 HB3 LYS 21 -22.405 -7.791 -3.150 150 HG2 LYS 21 HG2 LYS 21 -22.872 -9.727 -2.008 151 HG3 LYS 21 HG3 LYS 21 -22.016 -9.207 -0.570 152 HD2 LYS 21 HD2 LYS 21 -23.887 -8.067 0.306 153 HD3 LYS 21 HD3 LYS 21 -24.624 -7.845 -1.268 154 HE2 LYS 21 HE2 LYS 21 -24.257 -10.658 -0.210 155 HE3 LYS 21 HE3 LYS 21 -25.566 -9.680 0.424 156 HZ1 LYS 21 HZ1 LYS 21 -25.953 -11.084 -1.652 157 HZ2 LYS 21 HZ2 LYS 21 -26.553 -9.565 -1.625 158 HZ3 LYS 21 HZ3 LYS 21 -25.187 -9.888 -2.460 159 H ARG 22 H ARG 22 -18.781 -9.012 -0.900 160 HA ARG 22 HA ARG 22 -17.525 -10.635 -1.577 161 HB2 ARG 22 HB2 ARG 22 -19.956 -11.040 -3.163 162 HB3 ARG 22 HB3 ARG 22 -18.551 -11.573 -4.065 163 HG2 ARG 22 HG2 ARG 22 -18.877 -13.514 -2.870 164 HG3 ARG 22 HG3 ARG 22 -17.924 -12.672 -1.664 165 HD2 ARG 22 HD2 ARG 22 -20.292 -11.704 -0.896 166 HD3 ARG 22 HD3 ARG 22 -20.920 -13.101 -1.747 167 HE ARG 22 HE ARG 22 -18.724 -13.702 0.121 168 HH11 ARG 22 HH22 ARG 22 -22.207 -13.451 -0.312 169 HH12 ARG 22 HH21 ARG 22 -22.577 -14.472 1.037 170 HH21 ARG 22 HH12 ARG 22 -19.212 -15.049 1.901 171 HH22 ARG 22 HH11 ARG 22 -20.862 -15.388 2.304 172 H ARG 23 H ARG 23 -15.701 -11.041 -3.046 173 HA ARG 23 HA ARG 23 -15.524 -9.781 -5.513 174 HB2 ARG 23 HB2 ARG 23 -15.335 -7.697 -4.191 175 HB3 ARG 23 HB3 ARG 23 -14.064 -8.396 -3.208 176 HG2 ARG 23 HG2 ARG 23 -13.365 -8.639 -6.029 177 HG3 ARG 23 HG3 ARG 23 -13.775 -6.975 -5.666 178 HD2 ARG 23 HD2 ARG 23 -12.192 -7.797 -3.468 179 HD3 ARG 23 HD3 ARG 23 -11.409 -8.520 -4.859 180 HE ARG 23 HE ARG 23 -10.805 -6.383 -5.613 181 HH11 ARG 23 HH22 ARG 23 -13.297 -6.087 -3.147 182 HH12 ARG 23 HH21 ARG 23 -13.164 -4.364 -3.037 183 HH21 ARG 23 HH12 ARG 23 -10.629 -4.109 -5.469 184 HH22 ARG 23 HH11 ARG 23 -11.636 -3.231 -4.367 185 H GLY 24 H GLY 24 -13.442 -10.466 -2.597 186 HA2 GLY 24 HA2 GLY 24 -12.035 -12.516 -4.169 187 HA3 GLY 24 HA3 GLY 24 -11.112 -11.229 -3.418 188 H GLY 25 H GLY 25 -10.346 -11.601 -1.382 189 HA2 GLY 25 HA2 GLY 25 -10.881 -12.160 0.897 190 HA3 GLY 25 HA3 GLY 25 -11.854 -13.496 0.313 191 H VAL 26 H VAL 26 -8.613 -12.361 1.082 192 HA VAL 26 HA VAL 26 -7.517 -14.713 1.697 193 HB VAL 26 HB VAL 26 -7.842 -14.513 -1.198 194 HG11 VAL 26 HG11 VAL 26 -5.538 -15.679 -1.535 195 HG12 VAL 26 HG12 VAL 26 -5.606 -13.903 -1.447 196 HG13 VAL 26 HG13 VAL 26 -5.083 -14.845 -0.030 197 HG21 VAL 26 HG21 VAL 26 -8.170 -16.416 0.788 198 HG22 VAL 26 HG22 VAL 26 -8.248 -16.706 -0.966 199 HG23 VAL 26 HG23 VAL 26 -6.726 -16.983 -0.085 200 HA PRO 27 HA PRO 27 -4.242 -11.490 0.578 201 HB2 PRO 27 HB2 PRO 27 -4.927 -9.276 -0.870 202 HB3 PRO 27 HB3 PRO 27 -4.228 -10.714 -1.590 203 HG2 PRO 27 HG2 PRO 27 -7.030 -9.775 -1.671 204 HG3 PRO 27 HG3 PRO 27 -6.233 -10.942 -2.707 205 HD2 PRO 27 HD2 PRO 27 -8.051 -11.511 -0.563 206 HD3 PRO 27 HD3 PRO 27 -7.164 -12.679 -1.523 207 H SER 28 H SER 28 -3.750 -8.955 1.048 208 HA SER 28 HA SER 28 -5.620 -8.368 3.209 209 HB2 SER 28 HB2 SER 28 -3.803 -7.664 4.616 210 HB3 SER 28 HB3 SER 28 -3.355 -9.231 3.971 211 HG SER 28 HG SER 28 -2.229 -6.685 3.483 212 H LEU 29 H LEU 29 -5.484 -7.463 0.324 213 HA LEU 29 HA LEU 29 -4.352 -5.068 -0.130 214 HB2 LEU 29 HB2 LEU 29 -6.219 -6.638 -1.352 215 HB3 LEU 29 HB3 LEU 29 -7.173 -5.223 -0.956 216 HG LEU 29 HG LEU 29 -6.369 -4.895 -3.151 217 HD11 LEU 29 HD11 LEU 29 -5.749 -2.768 -2.876 218 HD12 LEU 29 HD12 LEU 29 -5.805 -3.107 -1.130 219 HD13 LEU 29 HD13 LEU 29 -4.261 -3.216 -2.009 220 HD21 LEU 29 HD21 LEU 29 -3.669 -5.753 -2.097 221 HD22 LEU 29 HD22 LEU 29 -4.663 -6.523 -3.357 222 HD23 LEU 29 HD23 LEU 29 -3.893 -4.949 -3.670 223 H ILE 30 H ILE 30 -7.506 -5.604 1.584 224 HA ILE 30 HA ILE 30 -8.148 -3.002 2.072 225 HB ILE 30 HB ILE 30 -9.411 -5.154 2.569 226 HG12 ILE 30 HG12 ILE 30 -10.427 -3.044 3.009 227 HG13 ILE 30 HG13 ILE 30 -10.710 -4.064 4.405 228 HG21 ILE 30 HG21 ILE 30 -7.939 -4.915 5.207 229 HG22 ILE 30 HG22 ILE 30 -9.268 -6.038 4.830 230 HG23 ILE 30 HG23 ILE 30 -7.704 -6.198 3.995 231 HD11 ILE 30 HD11 ILE 30 -8.511 -2.976 5.361 232 HD12 ILE 30 HD12 ILE 30 -8.801 -1.729 4.125 233 HD13 ILE 30 HD13 ILE 30 -10.021 -2.034 5.385 234 H ALA 31 H ALA 31 -6.001 -5.153 4.049 235 HA ALA 31 HA ALA 31 -5.433 -3.338 6.043 236 HB1 ALA 31 HB1 ALA 31 -4.853 -5.844 5.793 237 HB2 ALA 31 HB2 ALA 31 -3.419 -5.291 4.896 238 HB3 ALA 31 HB3 ALA 31 -3.652 -4.800 6.591 239 H GLY 32 H GLY 32 -4.044 -3.716 2.749 240 HA2 GLY 32 HA2 GLY 32 -1.916 -1.881 3.099 241 HA3 GLY 32 HA3 GLY 32 -2.593 -2.448 1.584 242 H LEU 33 H LEU 33 -5.390 -1.560 2.329 243 HA LEU 33 HA LEU 33 -5.141 1.089 1.315 244 HB2 LEU 33 HB2 LEU 33 -7.018 -0.875 1.177 245 HB3 LEU 33 HB3 LEU 33 -7.736 0.178 2.380 246 HG LEU 33 HG LEU 33 -7.088 2.030 0.528 247 HD11 LEU 33 HD11 LEU 33 -7.699 -0.457 -1.093 248 HD12 LEU 33 HD12 LEU 33 -7.532 1.203 -1.714 249 HD13 LEU 33 HD13 LEU 33 -6.125 0.369 -1.010 250 HD21 LEU 33 HD21 LEU 33 -9.252 2.151 1.214 251 HD22 LEU 33 HD22 LEU 33 -9.517 1.441 -0.397 252 HD23 LEU 33 HD23 LEU 33 -9.527 0.400 1.047 253 H PHE 34 H PHE 34 -6.435 -0.314 4.410 254 HA PHE 34 HA PHE 34 -6.932 2.070 5.669 255 HB2 PHE 34 HB2 PHE 34 -7.089 -0.623 6.217 256 HB3 PHE 34 HB3 PHE 34 -5.674 -0.239 7.177 257 HD1 PHE 34 HD2 PHE 34 -9.131 1.051 6.588 258 HD2 PHE 34 HD1 PHE 34 -5.997 0.389 9.372 259 HE1 PHE 34 HE2 PHE 34 -10.611 1.859 8.446 260 HE2 PHE 34 HE1 PHE 34 -7.478 1.198 11.230 261 HZ PHE 34 HZ PHE 34 -9.767 1.923 10.745 262 H VAL 35 H VAL 35 -3.853 0.212 5.409 263 HA VAL 35 HA VAL 35 -2.431 1.807 7.235 264 HB VAL 35 HB VAL 35 -1.775 -0.164 5.083 265 HG11 VAL 35 HG11 VAL 35 0.108 1.835 6.281 266 HG12 VAL 35 HG12 VAL 35 0.684 0.171 6.018 267 HG13 VAL 35 HG13 VAL 35 0.075 1.129 4.647 268 HG21 VAL 35 HG21 VAL 35 -0.587 -0.412 7.766 269 HG22 VAL 35 HG22 VAL 35 -2.367 -0.391 7.757 270 HG23 VAL 35 HG23 VAL 35 -1.486 -1.600 6.792 271 H GLY 36 H GLY 36 -2.115 1.682 3.612 272 HA2 GLY 36 HA2 GLY 36 -0.598 3.865 3.177 273 HA3 GLY 36 HA3 GLY 36 -1.903 3.368 2.118 274 H CYS 37 H CYS 37 -4.186 3.851 3.722 275 HA CYS 37 HA CYS 37 -4.611 6.527 3.262 276 HB2 CYS 37 HB2 CYS 37 -6.143 4.349 4.098 277 HB3 CYS 37 HB3 CYS 37 -6.268 5.478 5.432 278 HG CYS 37 HG CYS 37 -8.207 6.338 4.251 279 H LEU 38 H LEU 38 -4.354 4.897 6.516 280 HA LEU 38 HA LEU 38 -4.216 7.011 8.128 281 HB2 LEU 38 HB2 LEU 38 -3.399 4.284 8.201 282 HB3 LEU 38 HB3 LEU 38 -2.138 5.241 8.953 283 HG LEU 38 HG LEU 38 -4.148 6.334 10.263 284 HD11 LEU 38 HD11 LEU 38 -6.096 5.469 9.483 285 HD12 LEU 38 HD12 LEU 38 -5.358 3.918 9.015 286 HD13 LEU 38 HD13 LEU 38 -5.744 4.241 10.722 287 HD21 LEU 38 HD21 LEU 38 -2.413 5.241 11.435 288 HD22 LEU 38 HD22 LEU 38 -3.927 4.486 11.987 289 HD23 LEU 38 HD23 LEU 38 -2.889 3.643 10.813 290 H ALA 39 H ALA 39 -1.528 5.791 6.058 291 HA ALA 39 HA ALA 39 0.455 7.470 7.003 292 HB1 ALA 39 HB1 ALA 39 0.291 6.830 4.077 293 HB2 ALA 39 HB2 ALA 39 1.662 6.680 5.203 294 HB3 ALA 39 HB3 ALA 39 0.354 5.473 5.227 295 H GLY 40 H GLY 40 -1.438 7.947 3.932 296 HA2 GLY 40 HA2 GLY 40 -0.703 10.642 3.640 297 HA3 GLY 40 HA3 GLY 40 -2.034 9.823 2.847 298 H TYR 41 H TYR 41 -4.062 9.423 4.272 299 HA TYR 41 HA TYR 41 -5.241 11.703 5.002 300 HB2 TYR 41 HB2 TYR 41 -5.328 8.802 5.908 301 HB3 TYR 41 HB3 TYR 41 -6.308 9.934 6.819 302 HD1 TYR 41 HD1 TYR 41 -5.601 9.809 3.140 303 HD2 TYR 41 HD2 TYR 41 -8.523 9.463 6.247 304 HE1 TYR 41 HE1 TYR 41 -7.443 9.626 1.397 305 HE2 TYR 41 HE2 TYR 41 -10.355 9.281 4.493 306 HH TYR 41 HH TYR 41 -10.329 10.254 1.756 307 H GLY 42 H GLY 42 -3.528 9.511 7.349 308 HA2 GLY 42 HA2 GLY 42 -3.856 10.979 9.637 309 HA3 GLY 42 HA3 GLY 42 -2.464 9.977 9.276 310 H ALA 43 H ALA 43 -1.081 11.211 7.287 311 HA ALA 43 HA ALA 43 0.258 13.246 8.568 312 HB1 ALA 43 HB1 ALA 43 0.100 12.138 5.794 313 HB2 ALA 43 HB2 ALA 43 0.890 13.720 5.994 314 HB3 ALA 43 HB3 ALA 43 1.500 12.302 6.881 315 H TYR 44 H TYR 44 -2.678 13.300 6.572 316 HA TYR 44 HA TYR 44 -2.595 16.140 6.181 317 HB2 TYR 44 HB2 TYR 44 -3.749 14.014 4.926 318 HB3 TYR 44 HB3 TYR 44 -5.054 14.337 6.050 319 HD1 TYR 44 HD1 TYR 44 -2.812 16.532 3.974 320 HD2 TYR 44 HD2 TYR 44 -6.813 15.424 5.011 321 HE1 TYR 44 HE1 TYR 44 -3.720 18.323 2.414 322 HE2 TYR 44 HE2 TYR 44 -7.707 17.219 3.448 323 HH TYR 44 HH TYR 44 -5.477 19.209 1.526 324 H ARG 45 H ARG 45 -3.952 13.848 8.548 325 HA ARG 45 HA ARG 45 -5.567 15.934 9.678 326 HB2 ARG 45 HB2 ARG 45 -5.992 13.263 9.494 327 HB3 ARG 45 HB3 ARG 45 -5.182 13.273 11.048 328 HG2 ARG 45 HG2 ARG 45 -7.063 14.016 12.070 329 HG3 ARG 45 HG3 ARG 45 -7.102 15.431 11.038 330 HD2 ARG 45 HD2 ARG 45 -7.958 13.127 9.489 331 HD3 ARG 45 HD3 ARG 45 -8.868 13.169 10.986 332 HE ARG 45 HE ARG 45 -9.216 14.950 8.778 333 HH11 ARG 45 HH22 ARG 45 -9.044 15.033 12.292 334 HH12 ARG 45 HH21 ARG 45 -10.041 16.442 12.435 335 HH21 ARG 45 HH12 ARG 45 -10.532 16.809 8.966 336 HH22 ARG 45 HH11 ARG 45 -10.894 17.458 10.530 337 H VAL 46 H VAL 46 -3.244 13.505 11.095 338 HA VAL 46 HA VAL 46 -2.522 15.475 13.107 339 HB VAL 46 HB VAL 46 -1.732 12.571 12.808 340 HG11 VAL 46 HG11 VAL 46 -0.190 13.800 14.225 341 HG12 VAL 46 HG12 VAL 46 -1.542 14.491 15.154 342 HG13 VAL 46 HG13 VAL 46 -1.210 12.744 15.230 343 HG21 VAL 46 HG21 VAL 46 -4.283 13.549 13.303 344 HG22 VAL 46 HG22 VAL 46 -3.680 11.923 13.706 345 HG23 VAL 46 HG23 VAL 46 -3.640 13.216 14.929 346 H SER 47 H SER 47 -1.640 16.649 10.971 347 HA SER 47 HA SER 47 0.460 15.903 9.566 348 HB2 SER 47 HB2 SER 47 -0.765 18.318 10.140 349 HB3 SER 47 HB3 SER 47 0.853 18.599 10.749 350 HG SER 47 HG SER 47 1.733 18.219 8.709 351 H ASN 48 H ASN 48 2.751 15.738 9.781 352 HA ASN 48 HA ASN 48 3.863 16.333 12.364 353 HB2 ASN 48 HB2 ASN 48 3.217 13.612 11.479 354 HB3 ASN 48 HB3 ASN 48 4.948 13.775 11.697 355 HD21 ASN 48 HD21 ASN 48 4.527 12.214 13.413 356 HD22 ASN 48 HD22 ASN 48 4.089 12.771 14.994 357 H ASP 49 H ASP 49 4.268 14.841 9.078 358 HA ASP 49 HA ASP 49 6.280 16.640 8.387 359 HB2 ASP 49 HB2 ASP 49 7.332 14.687 9.968 360 HB3 ASP 49 HB3 ASP 49 7.404 13.852 8.429 361 H LYS 50 H LYS 50 5.374 16.854 6.315 362 HA LYS 50 HA LYS 50 5.225 14.406 4.719 363 HB2 LYS 50 HB2 LYS 50 2.953 15.088 5.628 364 HB3 LYS 50 HB3 LYS 50 3.081 16.542 4.659 365 HG2 LYS 50 HG2 LYS 50 3.766 14.237 3.020 366 HG3 LYS 50 HG3 LYS 50 2.230 13.945 3.812 367 HD2 LYS 50 HD2 LYS 50 1.150 15.507 2.546 368 HD3 LYS 50 HD3 LYS 50 2.415 16.697 2.779 369 HE2 LYS 50 HE2 LYS 50 3.767 15.075 1.106 370 HE3 LYS 50 HE3 LYS 50 2.150 14.603 0.622 371 HZ1 LYS 50 HZ1 LYS 50 2.477 17.423 0.865 372 HZ2 LYS 50 HZ2 LYS 50 3.453 16.762 -0.266 373 HZ3 LYS 50 HZ3 LYS 50 1.836 16.551 -0.359 374 H ARG 51 H ARG 51 6.577 14.612 3.026 375 HA ARG 51 HA ARG 51 7.245 17.314 2.240 376 HB2 ARG 51 HB2 ARG 51 8.583 14.614 1.967 377 HB3 ARG 51 HB3 ARG 51 8.998 15.861 0.808 378 HG2 ARG 51 HG2 ARG 51 8.970 16.830 3.612 379 HG3 ARG 51 HG3 ARG 51 10.141 15.557 3.332 380 HD2 ARG 51 HD2 ARG 51 11.141 16.828 1.459 381 HD3 ARG 51 HD3 ARG 51 9.910 18.067 1.602 382 HE ARG 51 HE ARG 51 11.384 17.606 4.095 383 HH11 ARG 51 HH22 ARG 51 11.335 19.381 1.057 384 HH12 ARG 51 HH21 ARG 51 12.347 20.659 1.640 385 HH21 ARG 51 HH12 ARG 51 12.719 19.293 4.865 386 HH22 ARG 51 HH11 ARG 51 13.139 20.609 3.821 387 H ASP 52 H ASP 52 6.684 14.076 0.653 388 HA ASP 52 HA ASP 52 5.088 15.469 -1.321 389 HB2 ASP 52 HB2 ASP 52 7.608 13.904 -1.781 390 HB3 ASP 52 HB3 ASP 52 6.304 13.616 -2.916 391 H VAL 53 H VAL 53 6.526 12.197 -0.555 392 HA VAL 53 HA VAL 53 4.127 11.064 0.297 393 HB VAL 53 HB VAL 53 3.281 11.265 -1.898 394 HG11 VAL 53 HG11 VAL 53 5.822 9.979 -2.953 395 HG12 VAL 53 HG12 VAL 53 4.436 10.553 -3.911 396 HG13 VAL 53 HG13 VAL 53 5.448 11.718 -3.025 397 HG21 VAL 53 HG21 VAL 53 3.604 8.806 -0.658 398 HG22 VAL 53 HG22 VAL 53 2.495 9.169 -2.002 399 HG23 VAL 53 HG23 VAL 53 4.106 8.491 -2.337 400 H LYS 54 H LYS 54 6.829 11.237 1.162 401 HA LYS 54 HA LYS 54 8.184 8.830 0.439 402 HB2 LYS 54 HB2 LYS 54 9.707 9.540 2.335 403 HB3 LYS 54 HB3 LYS 54 9.560 10.660 0.995 404 HG2 LYS 54 HG2 LYS 54 8.444 12.246 2.253 405 HG3 LYS 54 HG3 LYS 54 7.567 11.050 3.187 406 HD2 LYS 54 HD2 LYS 54 9.015 11.817 4.833 407 HD3 LYS 54 HD3 LYS 54 9.991 10.512 4.187 408 HE2 LYS 54 HE2 LYS 54 11.570 11.946 3.370 409 HE3 LYS 54 HE3 LYS 54 10.367 13.006 2.663 410 HZ1 LYS 54 HZ1 LYS 54 9.989 13.923 4.864 411 HZ2 LYS 54 HZ2 LYS 54 11.143 12.957 5.498 412 HZ3 LYS 54 HZ3 LYS 54 11.547 14.106 4.410 413 H VAL 55 H VAL 55 5.960 9.923 3.013 414 HA VAL 55 HA VAL 55 6.291 8.077 4.934 415 HB VAL 55 HB VAL 55 3.843 8.249 5.296 416 HG11 VAL 55 HG11 VAL 55 5.569 10.666 4.829 417 HG12 VAL 55 HG12 VAL 55 3.869 10.874 5.317 418 HG13 VAL 55 HG13 VAL 55 4.989 9.960 6.356 419 HG21 VAL 55 HG21 VAL 55 2.802 8.295 3.223 420 HG22 VAL 55 HG22 VAL 55 2.722 10.005 3.711 421 HG23 VAL 55 HG23 VAL 55 3.958 9.468 2.548 422 H SER 56 H SER 56 4.276 7.601 1.945 423 HA SER 56 HA SER 56 3.478 5.081 2.396 424 HB2 SER 56 HB2 SER 56 4.300 6.483 -0.168 425 HB3 SER 56 HB3 SER 56 3.679 4.844 -0.202 426 HG SER 56 HG SER 56 2.327 7.251 0.190 427 H LEU 57 H LEU 57 6.622 6.154 0.944 428 HA LEU 57 HA LEU 57 7.631 3.649 0.361 429 HB2 LEU 57 HB2 LEU 57 8.614 6.380 0.642 430 HB3 LEU 57 HB3 LEU 57 9.815 5.188 1.100 431 HG LEU 57 HG LEU 57 8.543 4.402 -1.377 432 HD11 LEU 57 HD11 LEU 57 9.773 6.391 -2.623 433 HD12 LEU 57 HD12 LEU 57 8.075 6.514 -2.105 434 HD13 LEU 57 HD13 LEU 57 9.359 7.264 -1.127 435 HD21 LEU 57 HD21 LEU 57 10.648 3.494 -0.719 436 HD22 LEU 57 HD22 LEU 57 10.922 4.485 -2.172 437 HD23 LEU 57 HD23 LEU 57 11.372 5.113 -0.569 438 H PHE 58 H PHE 58 7.642 5.534 3.429 439 HA PHE 58 HA PHE 58 9.269 3.661 4.792 440 HB2 PHE 58 HB2 PHE 58 7.498 6.054 5.349 441 HB3 PHE 58 HB3 PHE 58 7.852 5.027 6.724 442 HD1 PHE 58 HD1 PHE 58 9.502 6.962 4.013 443 HD2 PHE 58 HD2 PHE 58 9.862 5.271 7.888 444 HE1 PHE 58 HE1 PHE 58 11.704 8.127 4.316 445 HE2 PHE 58 HE2 PHE 58 12.065 6.436 8.191 446 HZ PHE 58 HZ PHE 58 12.959 7.850 6.402 447 H THR 59 H THR 59 5.862 3.823 3.954 448 HA THR 59 HA THR 59 4.975 2.133 6.091 449 HB THR 59 HB THR 59 3.800 3.263 3.515 450 HG1 THR 59 HG1 THR 59 4.008 4.604 5.442 451 HG21 THR 59 HG21 THR 59 1.602 2.409 4.799 452 HG22 THR 59 HG22 THR 59 2.430 1.353 3.630 453 HG23 THR 59 HG23 THR 59 2.709 1.140 5.376 454 H ALA 60 H ALA 60 5.750 1.675 2.592 455 HA ALA 60 HA ALA 60 5.098 -1.062 2.603 456 HB1 ALA 60 HB1 ALA 60 5.251 0.414 0.592 457 HB2 ALA 60 HB2 ALA 60 7.017 0.476 0.808 458 HB3 ALA 60 HB3 ALA 60 6.220 -1.071 0.436 459 H PHE 61 H PHE 61 8.178 0.773 3.081 460 HA PHE 61 HA PHE 61 9.844 -1.440 3.229 461 HB2 PHE 61 HB2 PHE 61 9.763 1.452 3.931 462 HB3 PHE 61 HB3 PHE 61 10.796 0.552 5.023 463 HD1 PHE 61 HD1 PHE 61 12.838 -0.505 4.219 464 HD2 PHE 61 HD2 PHE 61 10.343 1.694 1.583 465 HE1 PHE 61 HE1 PHE 61 14.690 -0.432 2.526 466 HE2 PHE 61 HE2 PHE 61 12.195 1.768 -0.109 467 HZ PHE 61 HZ PHE 61 14.346 0.704 0.383 468 H PHE 62 H PHE 62 8.104 0.377 5.845 469 HA PHE 62 HA PHE 62 9.118 -1.135 7.949 470 HB2 PHE 62 HB2 PHE 62 7.857 1.095 7.984 471 HB3 PHE 62 HB3 PHE 62 6.390 0.237 7.558 472 HD1 PHE 62 HD1 PHE 62 9.096 -0.089 10.123 473 HD2 PHE 62 HD2 PHE 62 4.935 -0.133 9.294 474 HE1 PHE 62 HE1 PHE 62 8.615 -0.476 12.556 475 HE2 PHE 62 HE2 PHE 62 4.454 -0.520 11.727 476 HZ PHE 62 HZ PHE 62 6.300 -0.687 13.329 477 H LEU 63 H LEU 63 5.947 -1.403 6.186 478 HA LEU 63 HA LEU 63 4.888 -3.498 7.549 479 HB2 LEU 63 HB2 LEU 63 4.108 -2.040 5.486 480 HB3 LEU 63 HB3 LEU 63 4.648 -3.436 4.574 481 HG LEU 63 HG LEU 63 3.064 -4.483 6.655 482 HD11 LEU 63 HD11 LEU 63 1.337 -3.140 7.087 483 HD12 LEU 63 HD12 LEU 63 2.338 -1.828 6.421 484 HD13 LEU 63 HD13 LEU 63 1.163 -2.666 5.381 485 HD21 LEU 63 HD21 LEU 63 3.031 -4.299 3.716 486 HD22 LEU 63 HD22 LEU 63 2.773 -5.695 4.791 487 HD23 LEU 63 HD23 LEU 63 1.438 -4.563 4.466 488 H ALA 64 H ALA 64 6.997 -3.744 4.596 489 HA ALA 64 HA ALA 64 7.176 -6.473 4.512 490 HB1 ALA 64 HB1 ALA 64 9.530 -5.894 3.517 491 HB2 ALA 64 HB2 ALA 64 8.069 -5.296 2.695 492 HB3 ALA 64 HB3 ALA 64 9.014 -4.205 3.736 493 H THR 65 H THR 65 9.303 -4.144 6.312 494 HA THR 65 HA THR 65 10.993 -6.035 7.430 495 HB THR 65 HB THR 65 10.007 -3.285 8.336 496 HG1 THR 65 HG1 THR 65 11.946 -2.736 7.227 497 HG21 THR 65 HG21 THR 65 11.833 -5.237 9.662 498 HG22 THR 65 HG22 THR 65 12.553 -3.634 9.375 499 HG23 THR 65 HG23 THR 65 11.059 -3.780 10.332 500 H ILE 66 H ILE 66 7.674 -5.113 8.306 501 HA ILE 66 HA ILE 66 7.813 -6.463 10.826 502 HB ILE 66 HB ILE 66 5.573 -5.248 9.217 503 HG12 ILE 66 HG12 ILE 66 7.013 -3.575 10.104 504 HG13 ILE 66 HG13 ILE 66 5.579 -3.611 11.110 505 HG21 ILE 66 HG21 ILE 66 4.149 -5.573 11.205 506 HG22 ILE 66 HG22 ILE 66 4.638 -7.110 10.453 507 HG23 ILE 66 HG23 ILE 66 5.433 -6.557 11.946 508 HD11 ILE 66 HD11 ILE 66 7.324 -3.554 12.696 509 HD12 ILE 66 HD12 ILE 66 6.941 -5.290 12.607 510 HD13 ILE 66 HD13 ILE 66 8.356 -4.644 11.741 511 H MET 67 H MET 67 7.032 -7.251 7.461 512 HA MET 67 HA MET 67 5.754 -9.694 8.211 513 HB2 MET 67 HB2 MET 67 6.394 -8.170 5.693 514 HB3 MET 67 HB3 MET 67 6.246 -9.906 5.506 515 HG2 MET 67 HG2 MET 67 4.022 -9.218 5.183 516 HG3 MET 67 HG3 MET 67 4.009 -9.621 6.889 517 HE1 MET 67 HE1 MET 67 1.847 -7.573 7.589 518 HE2 MET 67 HE2 MET 67 3.129 -8.513 8.390 519 HE3 MET 67 HE3 MET 67 3.006 -6.759 8.668 520 H GLY 68 H GLY 68 8.574 -9.032 6.005 521 HA2 GLY 68 HA2 GLY 68 10.722 -9.929 6.341 522 HA3 GLY 68 HA3 GLY 68 10.046 -11.200 7.340 523 H VAL 69 H VAL 69 9.264 -13.121 6.405 524 HA VAL 69 HA VAL 69 9.151 -13.209 3.492 525 HB VAL 69 HB VAL 69 10.425 -15.433 3.698 526 HG11 VAL 69 HG11 VAL 69 12.119 -14.333 2.725 527 HG12 VAL 69 HG12 VAL 69 11.197 -12.846 3.056 528 HG13 VAL 69 HG13 VAL 69 12.456 -13.384 4.193 529 HG21 VAL 69 HG21 VAL 69 12.090 -15.535 5.506 530 HG22 VAL 69 HG22 VAL 69 11.381 -14.078 6.243 531 HG23 VAL 69 HG23 VAL 69 10.429 -15.579 6.145 532 H ARG 70 H ARG 70 6.818 -13.114 4.286 533 HA ARG 70 HA ARG 70 5.804 -15.705 4.179 534 HB2 ARG 70 HB2 ARG 70 4.618 -15.707 6.414 535 HB3 ARG 70 HB3 ARG 70 6.358 -15.852 6.556 536 HG2 ARG 70 HG2 ARG 70 6.037 -13.098 6.596 537 HG3 ARG 70 HG3 ARG 70 4.571 -13.627 7.398 538 HD2 ARG 70 HD2 ARG 70 6.649 -15.236 8.498 539 HD3 ARG 70 HD3 ARG 70 7.317 -13.619 8.407 540 HE ARG 70 HE ARG 70 5.936 -13.051 10.190 541 HH11 ARG 70 HH22 ARG 70 4.392 -15.647 8.384 542 HH12 ARG 70 HH21 ARG 70 3.029 -15.749 9.447 543 HH21 ARG 70 HH12 ARG 70 4.137 -13.185 11.593 544 HH22 ARG 70 HH11 ARG 70 2.883 -14.339 11.285 545 H PHE 71 H PHE 71 5.451 -13.431 2.604 546 HA PHE 71 HA PHE 71 2.643 -13.110 2.724 547 HB2 PHE 71 HB2 PHE 71 2.568 -10.785 3.365 548 HB3 PHE 71 HB3 PHE 71 3.707 -11.480 4.500 549 HD1 PHE 71 HD1 PHE 71 6.194 -11.640 3.071 550 HD2 PHE 71 HD2 PHE 71 3.212 -8.628 2.875 551 HE1 PHE 71 HE1 PHE 71 7.927 -9.971 2.356 552 HE2 PHE 71 HE2 PHE 71 4.944 -6.959 2.160 553 HZ PHE 71 HZ PHE 71 7.281 -7.650 1.909 554 H LYS 72 H LYS 72 4.445 -14.133 0.792 555 HA LYS 72 HA LYS 72 3.736 -12.482 -1.415 556 HB2 LYS 72 HB2 LYS 72 5.889 -11.859 -2.203 557 HB3 LYS 72 HB3 LYS 72 5.777 -11.312 -0.543 558 HG2 LYS 72 HG2 LYS 72 6.839 -14.071 -0.803 559 HG3 LYS 72 HG3 LYS 72 7.836 -12.866 -1.592 560 HD2 LYS 72 HD2 LYS 72 7.955 -11.540 0.496 561 HD3 LYS 72 HD3 LYS 72 6.865 -12.655 1.296 562 HE2 LYS 72 HE2 LYS 72 9.378 -13.771 0.044 563 HE3 LYS 72 HE3 LYS 72 9.526 -12.887 1.550 564 HZ1 LYS 72 HZ1 LYS 72 7.491 -14.456 2.113 565 HZ2 LYS 72 HZ2 LYS 72 8.267 -15.422 1.049 566 HZ3 LYS 72 HZ3 LYS 72 9.043 -14.888 2.384 567 H ARG 73 H ARG 73 4.907 -13.546 -3.498 568 HA ARG 73 HA ARG 73 4.330 -16.345 -3.157 569 HB2 ARG 73 HB2 ARG 73 4.402 -16.353 -5.700 570 HB3 ARG 73 HB3 ARG 73 3.203 -15.269 -5.024 571 HG2 ARG 73 HG2 ARG 73 4.522 -13.326 -5.479 572 HG3 ARG 73 HG3 ARG 73 5.992 -14.259 -5.682 573 HD2 ARG 73 HD2 ARG 73 5.246 -13.613 -7.898 574 HD3 ARG 73 HD3 ARG 73 4.957 -15.335 -7.742 575 HE ARG 73 HE ARG 73 2.594 -14.057 -6.860 576 HH11 ARG 73 HH22 ARG 73 4.460 -14.304 -9.834 577 HH12 ARG 73 HH21 ARG 73 3.085 -14.089 -10.865 578 HH21 ARG 73 HH12 ARG 73 0.780 -13.774 -8.220 579 HH22 ARG 73 HH11 ARG 73 0.978 -13.785 -9.941 580 H SER 74 H SER 74 6.994 -14.094 -3.781 581 HA SER 74 HA SER 74 8.969 -15.746 -3.062 582 HB2 SER 74 HB2 SER 74 7.992 -16.568 -5.643 583 HB3 SER 74 HB3 SER 74 9.593 -15.892 -5.873 584 HG SER 74 HG SER 74 8.803 -18.102 -4.200 585 H LYS 75 H LYS 75 10.695 -14.371 -2.726 586 HA LYS 75 HA LYS 75 11.482 -12.471 -4.676 587 HB2 LYS 75 HB2 LYS 75 10.949 -10.428 -3.530 588 HB3 LYS 75 HB3 LYS 75 9.468 -11.325 -3.800 589 HG2 LYS 75 HG2 LYS 75 9.128 -10.873 -1.567 590 HG3 LYS 75 HG3 LYS 75 10.095 -12.319 -1.353 591 HD2 LYS 75 HD2 LYS 75 12.128 -10.560 -1.511 592 HD3 LYS 75 HD3 LYS 75 10.890 -9.432 -0.996 593 HE2 LYS 75 HE2 LYS 75 11.811 -10.208 1.049 594 HE3 LYS 75 HE3 LYS 75 10.341 -11.148 0.885 595 HZ1 LYS 75 HZ1 LYS 75 12.081 -12.672 -0.405 596 HZ2 LYS 75 HZ2 LYS 75 13.068 -12.007 0.713 597 HZ3 LYS 75 HZ3 LYS 75 11.742 -12.835 1.184 598 H LYS 76 H LYS 76 13.431 -11.243 -3.922 599 HA LYS 76 HA LYS 76 14.789 -12.821 -1.854 600 HB2 LYS 76 HB2 LYS 76 15.658 -11.637 -4.452 601 HB3 LYS 76 HB3 LYS 76 16.823 -11.646 -3.144 602 HG2 LYS 76 HG2 LYS 76 16.638 -14.060 -2.881 603 HG3 LYS 76 HG3 LYS 76 15.254 -14.133 -3.953 604 HD2 LYS 76 HD2 LYS 76 16.557 -14.130 -5.831 605 HD3 LYS 76 HD3 LYS 76 17.584 -12.844 -5.229 606 HE2 LYS 76 HE2 LYS 76 18.872 -14.436 -3.861 607 HE3 LYS 76 HE3 LYS 76 17.775 -15.739 -4.273 608 HZ1 LYS 76 HZ1 LYS 76 18.456 -15.588 -6.529 609 HZ2 LYS 76 HZ2 LYS 76 19.358 -14.255 -6.253 610 HZ3 LYS 76 HZ3 LYS 76 19.803 -15.690 -5.613 611 H ILE 77 H ILE 77 14.678 -9.472 -3.269 612 HA ILE 77 HA ILE 77 15.496 -8.467 -0.657 613 HB ILE 77 HB ILE 77 15.359 -7.224 -3.401 614 HG12 ILE 77 HG12 ILE 77 17.818 -7.504 -1.697 615 HG13 ILE 77 HG13 ILE 77 17.233 -8.883 -2.607 616 HG21 ILE 77 HG21 ILE 77 16.691 -5.386 -1.958 617 HG22 ILE 77 HG22 ILE 77 14.939 -5.319 -2.261 618 HG23 ILE 77 HG23 ILE 77 15.551 -5.968 -0.721 619 HD11 ILE 77 HD11 ILE 77 18.940 -7.117 -3.684 620 HD12 ILE 77 HD12 ILE 77 17.682 -7.904 -4.669 621 HD13 ILE 77 HD13 ILE 77 17.429 -6.252 -4.057 622 H MET 78 H MET 78 13.015 -7.755 -3.220 623 HA MET 78 HA MET 78 11.150 -7.295 -1.049 624 HB2 MET 78 HB2 MET 78 12.211 -5.305 -2.993 625 HB3 MET 78 HB3 MET 78 10.460 -5.351 -2.961 626 HG2 MET 78 HG2 MET 78 10.349 -4.420 -0.866 627 HG3 MET 78 HG3 MET 78 11.661 -5.405 -0.251 628 HE1 MET 78 HE1 MET 78 11.643 -1.519 -2.462 629 HE2 MET 78 HE2 MET 78 10.325 -2.526 -1.816 630 HE3 MET 78 HE3 MET 78 11.214 -1.425 -0.737 631 HA PRO 79 HA PRO 79 8.453 -9.392 -3.724 632 HB2 PRO 79 HB2 PRO 79 6.004 -8.580 -2.823 633 HB3 PRO 79 HB3 PRO 79 6.958 -9.814 -2.025 634 HG2 PRO 79 HG2 PRO 79 6.507 -7.008 -1.214 635 HG3 PRO 79 HG3 PRO 79 7.083 -8.351 -0.246 636 HD2 PRO 79 HD2 PRO 79 8.662 -6.219 -1.337 637 HD3 PRO 79 HD3 PRO 79 9.252 -7.623 -0.469 638 H ALA 80 H ALA 80 7.286 -9.365 -5.656 639 HA ALA 80 HA ALA 80 7.627 -6.924 -7.052 640 HB1 ALA 80 HB1 ALA 80 5.803 -8.783 -8.330 641 HB2 ALA 80 HB2 ALA 80 7.463 -8.335 -8.793 642 HB3 ALA 80 HB3 ALA 80 7.188 -9.658 -7.634 643 H GLY 81 H GLY 81 4.654 -8.818 -6.140 644 HA2 GLY 81 HA2 GLY 81 2.685 -7.172 -6.913 645 HA3 GLY 81 HA3 GLY 81 2.646 -8.062 -5.404 646 H LEU 82 H LEU 82 4.470 -6.855 -3.755 647 HA LEU 82 HA LEU 82 3.153 -4.659 -2.804 648 HB2 LEU 82 HB2 LEU 82 4.788 -6.063 -1.598 649 HB3 LEU 82 HB3 LEU 82 6.087 -5.318 -2.507 650 HG LEU 82 HG LEU 82 4.490 -3.259 -1.275 651 HD11 LEU 82 HD11 LEU 82 4.974 -5.658 0.375 652 HD12 LEU 82 HD12 LEU 82 5.479 -4.115 1.105 653 HD13 LEU 82 HD13 LEU 82 3.796 -4.339 0.570 654 HD21 LEU 82 HD21 LEU 82 6.838 -3.034 -0.050 655 HD22 LEU 82 HD22 LEU 82 7.335 -4.149 -1.346 656 HD23 LEU 82 HD23 LEU 82 6.609 -2.576 -1.755 657 H VAL 83 H VAL 83 6.039 -4.762 -4.991 658 HA VAL 83 HA VAL 83 6.386 -2.022 -5.185 659 HB VAL 83 HB VAL 83 6.925 -4.257 -7.147 660 HG11 VAL 83 HG11 VAL 83 8.724 -2.052 -7.465 661 HG12 VAL 83 HG12 VAL 83 7.598 -2.757 -8.650 662 HG13 VAL 83 HG13 VAL 83 7.056 -1.443 -7.578 663 HG21 VAL 83 HG21 VAL 83 8.006 -4.260 -4.812 664 HG22 VAL 83 HG22 VAL 83 9.084 -4.403 -6.221 665 HG23 VAL 83 HG23 VAL 83 8.926 -2.844 -5.376 666 H ALA 84 H ALA 84 4.117 -4.252 -6.824 667 HA ALA 84 HA ALA 84 3.276 -2.395 -8.776 668 HB1 ALA 84 HB1 ALA 84 1.677 -4.707 -7.629 669 HB2 ALA 84 HB2 ALA 84 1.604 -4.024 -9.271 670 HB3 ALA 84 HB3 ALA 84 3.036 -4.945 -8.753 671 H GLY 85 H GLY 85 2.455 -3.010 -5.370 672 HA2 GLY 85 HA2 GLY 85 0.004 -1.549 -5.381 673 HA3 GLY 85 HA3 GLY 85 0.935 -2.067 -3.990 674 H LEU 86 H LEU 86 3.241 -0.823 -3.876 675 HA LEU 86 HA LEU 86 2.694 1.767 -3.186 676 HB2 LEU 86 HB2 LEU 86 4.597 0.799 -2.289 677 HB3 LEU 86 HB3 LEU 86 5.200 0.269 -3.847 678 HG LEU 86 HG LEU 86 5.315 2.919 -4.263 679 HD11 LEU 86 HD11 LEU 86 4.669 3.948 -2.350 680 HD12 LEU 86 HD12 LEU 86 5.140 2.579 -1.315 681 HD13 LEU 86 HD13 LEU 86 6.381 3.697 -1.932 682 HD21 LEU 86 HD21 LEU 86 7.180 0.844 -3.431 683 HD22 LEU 86 HD22 LEU 86 7.364 2.138 -4.640 684 HD23 LEU 86 HD23 LEU 86 7.708 2.467 -2.925 685 H SER 87 H SER 87 3.781 0.427 -6.340 686 HA SER 87 HA SER 87 4.314 2.856 -7.534 687 HB2 SER 87 HB2 SER 87 3.714 0.073 -8.451 688 HB3 SER 87 HB3 SER 87 3.497 1.333 -9.649 689 HG SER 87 HG SER 87 5.757 0.204 -9.157 690 H LEU 88 H LEU 88 1.372 0.743 -7.964 691 HA LEU 88 HA LEU 88 -0.179 2.366 -9.422 692 HB2 LEU 88 HB2 LEU 88 -0.529 0.126 -7.717 693 HB3 LEU 88 HB3 LEU 88 -1.804 1.267 -7.337 694 HG LEU 88 HG LEU 88 -2.419 1.339 -9.752 695 HD11 LEU 88 HD11 LEU 88 -1.440 0.037 -11.386 696 HD12 LEU 88 HD12 LEU 88 -0.030 0.520 -10.413 697 HD13 LEU 88 HD13 LEU 88 -0.735 -1.102 -10.214 698 HD21 LEU 88 HD21 LEU 88 -3.424 -0.225 -7.992 699 HD22 LEU 88 HD22 LEU 88 -3.700 -0.622 -9.705 700 HD23 LEU 88 HD23 LEU 88 -2.474 -1.513 -8.772 701 H MET 89 H MET 89 0.486 2.657 -5.898 702 HA MET 89 HA MET 89 -1.364 4.674 -5.443 703 HB2 MET 89 HB2 MET 89 0.922 3.380 -4.080 704 HB3 MET 89 HB3 MET 89 0.814 5.079 -3.667 705 HG2 MET 89 HG2 MET 89 -1.213 4.832 -2.560 706 HG3 MET 89 HG3 MET 89 -1.777 3.573 -3.640 707 HE1 MET 89 HE1 MET 89 -1.739 0.796 -1.326 708 HE2 MET 89 HE2 MET 89 -2.611 1.929 -2.386 709 HE3 MET 89 HE3 MET 89 -1.372 0.849 -3.067 710 H MET 90 H MET 90 2.197 4.812 -6.146 711 HA MET 90 HA MET 90 2.459 7.528 -5.985 712 HB2 MET 90 HB2 MET 90 4.322 5.846 -6.214 713 HB3 MET 90 HB3 MET 90 3.851 5.549 -7.876 714 HG2 MET 90 HG2 MET 90 4.185 8.408 -7.517 715 HG3 MET 90 HG3 MET 90 5.602 7.599 -6.877 716 HE1 MET 90 HE1 MET 90 7.439 7.536 -8.143 717 HE2 MET 90 HE2 MET 90 7.596 7.499 -9.915 718 HE3 MET 90 HE3 MET 90 6.946 8.947 -9.110 719 H ILE 91 H ILE 91 1.834 5.509 -8.948 720 HA ILE 91 HA ILE 91 1.712 7.533 -10.779 721 HB ILE 91 HB ILE 91 0.179 4.941 -10.604 722 HG12 ILE 91 HG12 ILE 91 2.377 5.315 -12.548 723 HG13 ILE 91 HG13 ILE 91 2.869 5.333 -10.866 724 HG21 ILE 91 HG21 ILE 91 -1.095 5.732 -12.259 725 HG22 ILE 91 HG22 ILE 91 -0.036 7.136 -12.532 726 HG23 ILE 91 HG23 ILE 91 0.354 5.569 -13.279 727 HD11 ILE 91 HD11 ILE 91 2.635 3.087 -10.731 728 HD12 ILE 91 HD12 ILE 91 0.935 3.205 -11.249 729 HD13 ILE 91 HD13 ILE 91 2.228 3.061 -12.464 730 H LEU 92 H LEU 92 -1.090 6.127 -8.934 731 HA LEU 92 HA LEU 92 -2.976 7.910 -9.851 732 HB2 LEU 92 HB2 LEU 92 -2.673 6.035 -7.611 733 HB3 LEU 92 HB3 LEU 92 -3.784 7.352 -7.294 734 HG LEU 92 HG LEU 92 -4.909 5.344 -8.161 735 HD11 LEU 92 HD11 LEU 92 -6.203 6.459 -9.977 736 HD12 LEU 92 HD12 LEU 92 -5.997 7.453 -8.515 737 HD13 LEU 92 HD13 LEU 92 -5.009 7.779 -9.960 738 HD21 LEU 92 HD21 LEU 92 -4.014 4.127 -9.782 739 HD22 LEU 92 HD22 LEU 92 -4.288 5.463 -10.927 740 HD23 LEU 92 HD23 LEU 92 -2.750 5.353 -10.038 741 H ARG 93 H ARG 93 -0.380 8.318 -7.474 742 HA ARG 93 HA ARG 93 -1.474 10.572 -6.251 743 HB2 ARG 93 HB2 ARG 93 0.806 8.951 -5.922 744 HB3 ARG 93 HB3 ARG 93 1.481 10.511 -6.351 745 HG2 ARG 93 HG2 ARG 93 -0.732 10.503 -4.314 746 HG3 ARG 93 HG3 ARG 93 0.816 9.858 -3.804 747 HD2 ARG 93 HD2 ARG 93 1.701 11.945 -3.634 748 HD3 ARG 93 HD3 ARG 93 1.256 12.324 -5.286 749 HE ARG 93 HE ARG 93 -1.129 12.448 -3.765 750 HH11 ARG 93 HH22 ARG 93 1.960 14.127 -3.919 751 HH12 ARG 93 HH21 ARG 93 1.319 15.626 -3.336 752 HH21 ARG 93 HH12 ARG 93 -1.975 14.426 -2.994 753 HH22 ARG 93 HH11 ARG 93 -0.934 15.798 -2.806 754 H LEU 94 H LEU 94 0.622 10.023 -9.115 755 HA LEU 94 HA LEU 94 1.631 12.487 -9.583 756 HB2 LEU 94 HB2 LEU 94 1.641 10.184 -10.897 757 HB3 LEU 94 HB3 LEU 94 0.433 10.998 -11.871 758 HG LEU 94 HG LEU 94 2.892 12.566 -11.358 759 HD11 LEU 94 HD11 LEU 94 3.829 11.130 -13.443 760 HD12 LEU 94 HD12 LEU 94 4.263 10.818 -11.746 761 HD13 LEU 94 HD13 LEU 94 2.993 9.849 -12.532 762 HD21 LEU 94 HD21 LEU 94 1.126 12.005 -13.747 763 HD22 LEU 94 HD22 LEU 94 1.271 13.510 -12.807 764 HD23 LEU 94 HD23 LEU 94 2.619 12.970 -13.837 765 H VAL 95 H VAL 95 -1.560 11.334 -10.898 766 HA VAL 95 HA VAL 95 -2.328 13.893 -11.739 767 HB VAL 95 HB VAL 95 -3.863 11.365 -11.124 768 HG11 VAL 95 HG11 VAL 95 -5.466 12.746 -12.849 769 HG12 VAL 95 HG12 VAL 95 -5.683 12.702 -11.083 770 HG13 VAL 95 HG13 VAL 95 -4.828 14.067 -11.841 771 HG21 VAL 95 HG21 VAL 95 -3.918 11.100 -13.557 772 HG22 VAL 95 HG22 VAL 95 -3.012 12.619 -13.757 773 HG23 VAL 95 HG23 VAL 95 -2.240 11.220 -12.973 774 H LEU 96 H LEU 96 -2.915 12.016 -8.713 775 HA LEU 96 HA LEU 96 -4.766 13.514 -7.477 776 HB2 LEU 96 HB2 LEU 96 -3.169 11.494 -6.757 777 HB3 LEU 96 HB3 LEU 96 -2.377 12.780 -5.867 778 HG LEU 96 HG LEU 96 -5.341 12.560 -5.597 779 HD11 LEU 96 HD11 LEU 96 -5.423 10.519 -4.732 780 HD12 LEU 96 HD12 LEU 96 -3.742 10.271 -5.262 781 HD13 LEU 96 HD13 LEU 96 -4.078 10.880 -3.623 782 HD21 LEU 96 HD21 LEU 96 -5.036 13.776 -3.738 783 HD22 LEU 96 HD22 LEU 96 -3.609 12.840 -3.231 784 HD23 LEU 96 HD23 LEU 96 -3.440 14.135 -4.440 785 H LEU 97 H LEU 97 -1.385 14.415 -8.165 786 HA LEU 97 HA LEU 97 -1.016 16.506 -6.476 787 HB2 LEU 97 HB2 LEU 97 0.397 15.437 -8.434 788 HB3 LEU 97 HB3 LEU 97 -0.229 16.798 -9.342 789 HG LEU 97 HG LEU 97 1.842 17.531 -8.561 790 HD11 LEU 97 HD11 LEU 97 1.388 19.367 -7.092 791 HD12 LEU 97 HD12 LEU 97 -0.037 19.121 -8.131 792 HD13 LEU 97 HD13 LEU 97 -0.060 18.561 -6.441 793 HD21 LEU 97 HD21 LEU 97 2.804 16.229 -7.018 794 HD22 LEU 97 HD22 LEU 97 2.069 17.339 -5.836 795 HD23 LEU 97 HD23 LEU 97 1.251 15.814 -6.253 796 H LEU 98 H LEU 98 -2.723 16.575 -9.676 797 HA LEU 98 HA LEU 98 -3.339 19.258 -9.673 798 HB2 LEU 98 HB2 LEU 98 -4.260 16.821 -11.013 799 HB3 LEU 98 HB3 LEU 98 -5.496 18.057 -10.889 800 HG LEU 98 HG LEU 98 -2.821 18.945 -11.850 801 HD11 LEU 98 HD11 LEU 98 -3.738 16.622 -12.939 802 HD12 LEU 98 HD12 LEU 98 -4.500 17.831 -14.001 803 HD13 LEU 98 HD13 LEU 98 -2.732 17.820 -13.789 804 HD21 LEU 98 HD21 LEU 98 -5.114 20.247 -11.566 805 HD22 LEU 98 HD22 LEU 98 -3.984 20.608 -12.893 806 HD23 LEU 98 HD23 LEU 98 -5.410 19.586 -13.192 807 H LEU 99 H LEU 99 -5.123 16.476 -8.205 808 HA LEU 99 HA LEU 99 -7.363 17.800 -7.378 809 HB2 LEU 99 HB2 LEU 99 -6.777 15.342 -7.252 810 HB3 LEU 99 HB3 LEU 99 -5.911 15.701 -5.771 811 HG LEU 99 HG LEU 99 -8.626 16.764 -5.708 812 HD11 LEU 99 HD11 LEU 99 -8.421 13.752 -5.893 813 HD12 LEU 99 HD12 LEU 99 -9.886 14.751 -5.735 814 HD13 LEU 99 HD13 LEU 99 -8.941 14.789 -7.243 815 HD21 LEU 99 HD21 LEU 99 -6.687 15.854 -3.924 816 HD22 LEU 99 HD22 LEU 99 -8.340 16.389 -3.536 817 HD23 LEU 99 HD23 LEU 99 -8.003 14.662 -3.805 Start of MODEL 13 1 H MET 1 H1 MET 1 -11.377 -20.665 -24.395 2 HA MET 1 HA MET 1 -12.990 -20.960 -22.087 3 HB2 MET 1 HB2 MET 1 -10.679 -19.820 -21.403 4 HB3 MET 1 HB3 MET 1 -11.334 -18.403 -22.199 5 HG2 MET 1 HG2 MET 1 -12.405 -17.922 -20.250 6 HG3 MET 1 HG3 MET 1 -13.464 -19.279 -20.582 7 HE1 MET 1 HE1 MET 1 -13.230 -21.716 -18.788 8 HE2 MET 1 HE2 MET 1 -13.235 -20.672 -17.347 9 HE3 MET 1 HE3 MET 1 -14.104 -20.166 -18.815 10 H ASP 2 H ASP 2 -14.927 -20.590 -23.092 11 HA ASP 2 HA ASP 2 -15.007 -18.604 -25.168 12 HB2 ASP 2 HB2 ASP 2 -17.165 -20.458 -24.053 13 HB3 ASP 2 HB3 ASP 2 -17.370 -19.426 -25.454 14 H LEU 3 H LEU 3 -15.598 -16.488 -24.669 15 HA LEU 3 HA LEU 3 -17.415 -16.113 -22.398 16 HB2 LEU 3 HB2 LEU 3 -14.759 -15.536 -22.269 17 HB3 LEU 3 HB3 LEU 3 -15.397 -14.012 -22.853 18 HG LEU 3 HG LEU 3 -15.140 -14.246 -20.349 19 HD11 LEU 3 HD11 LEU 3 -16.543 -12.532 -20.269 20 HD12 LEU 3 HD12 LEU 3 -17.120 -12.968 -21.895 21 HD13 LEU 3 HD13 LEU 3 -17.945 -13.613 -20.456 22 HD21 LEU 3 HD21 LEU 3 -16.424 -15.643 -19.073 23 HD22 LEU 3 HD22 LEU 3 -17.727 -15.741 -20.282 24 HD23 LEU 3 HD23 LEU 3 -16.218 -16.653 -20.524 25 H ILE 4 H ILE 4 -15.787 -14.224 -25.049 26 HA ILE 4 HA ILE 4 -16.621 -12.608 -26.340 27 HB ILE 4 HB ILE 4 -18.397 -13.378 -27.842 28 HG12 ILE 4 HG12 ILE 4 -18.577 -15.890 -26.167 29 HG13 ILE 4 HG13 ILE 4 -19.690 -14.551 -25.973 30 HG21 ILE 4 HG21 ILE 4 -15.863 -14.601 -27.361 31 HG22 ILE 4 HG22 ILE 4 -17.004 -15.856 -27.900 32 HG23 ILE 4 HG23 ILE 4 -16.741 -14.404 -28.896 33 HD11 ILE 4 HD11 ILE 4 -20.904 -15.379 -27.693 34 HD12 ILE 4 HD12 ILE 4 -19.542 -15.010 -28.778 35 HD13 ILE 4 HD13 ILE 4 -19.664 -16.615 -28.017 36 H GLY 5 H GLY 5 -17.127 -11.873 -23.785 37 HA2 GLY 5 HA2 GLY 5 -19.394 -10.198 -24.052 38 HA3 GLY 5 HA3 GLY 5 -19.771 -11.546 -22.998 39 H PHE 6 H PHE 6 -17.497 -8.806 -23.522 40 HA PHE 6 HA PHE 6 -16.439 -9.117 -20.850 41 HB2 PHE 6 HB2 PHE 6 -15.851 -7.749 -23.417 42 HB3 PHE 6 HB3 PHE 6 -15.641 -6.656 -22.064 43 HD1 PHE 6 HD1 PHE 6 -13.964 -7.158 -20.316 44 HD2 PHE 6 HD2 PHE 6 -14.331 -9.564 -23.792 45 HE1 PHE 6 HE1 PHE 6 -11.697 -8.141 -19.875 46 HE2 PHE 6 HE2 PHE 6 -12.064 -10.547 -23.351 47 HZ PHE 6 HZ PHE 6 -10.774 -9.824 -21.397 48 H GLY 7 H GLY 7 -18.182 -6.560 -22.766 49 HA2 GLY 7 HA2 GLY 7 -18.554 -4.600 -21.002 50 HA3 GLY 7 HA3 GLY 7 -19.828 -5.153 -22.071 51 H TYR 8 H TYR 8 -20.724 -7.524 -21.147 52 HA TYR 8 HA TYR 8 -22.349 -6.933 -19.051 53 HB2 TYR 8 HB2 TYR 8 -21.937 -9.003 -20.783 54 HB3 TYR 8 HB3 TYR 8 -21.130 -9.707 -19.396 55 HD1 TYR 8 HD1 TYR 8 -24.389 -8.358 -20.583 56 HD2 TYR 8 HD2 TYR 8 -22.368 -10.689 -17.618 57 HE1 TYR 8 HE1 TYR 8 -26.626 -9.160 -19.679 58 HE2 TYR 8 HE2 TYR 8 -24.612 -11.483 -16.724 59 HH TYR 8 HH TYR 8 -27.111 -11.683 -18.055 60 H ALA 9 H ALA 9 -19.160 -8.662 -18.903 61 HA ALA 9 HA ALA 9 -19.189 -9.136 -16.174 62 HB1 ALA 9 HB1 ALA 9 -17.128 -9.990 -16.596 63 HB2 ALA 9 HB2 ALA 9 -17.532 -9.675 -18.300 64 HB3 ALA 9 HB3 ALA 9 -16.563 -8.497 -17.382 65 H ALA 10 H ALA 10 -18.323 -6.228 -18.080 66 HA ALA 10 HA ALA 10 -17.150 -4.847 -15.907 67 HB1 ALA 10 HB1 ALA 10 -17.301 -4.534 -18.640 68 HB2 ALA 10 HB2 ALA 10 -18.398 -3.256 -18.065 69 HB3 ALA 10 HB3 ALA 10 -16.709 -3.298 -17.504 70 H LEU 11 H LEU 11 -20.459 -5.397 -17.064 71 HA LEU 11 HA LEU 11 -21.592 -3.230 -15.615 72 HB2 LEU 11 HB2 LEU 11 -22.431 -4.643 -17.679 73 HB3 LEU 11 HB3 LEU 11 -23.144 -5.648 -16.433 74 HG LEU 11 HG LEU 11 -23.927 -3.124 -15.647 75 HD11 LEU 11 HD11 LEU 11 -24.802 -2.884 -18.404 76 HD12 LEU 11 HD12 LEU 11 -24.073 -1.672 -17.324 77 HD13 LEU 11 HD13 LEU 11 -23.032 -2.767 -18.265 78 HD21 LEU 11 HD21 LEU 11 -26.034 -4.013 -17.202 79 HD22 LEU 11 HD22 LEU 11 -25.133 -5.504 -16.835 80 HD23 LEU 11 HD23 LEU 11 -25.705 -4.461 -15.511 81 H VAL 12 H VAL 12 -21.178 -6.776 -15.048 82 HA VAL 12 HA VAL 12 -22.572 -6.867 -12.645 83 HB VAL 12 HB VAL 12 -20.303 -8.497 -13.786 84 HG11 VAL 12 HG11 VAL 12 -20.040 -9.569 -11.850 85 HG12 VAL 12 HG12 VAL 12 -21.197 -8.459 -11.077 86 HG13 VAL 12 HG13 VAL 12 -21.775 -9.968 -11.822 87 HG21 VAL 12 HG21 VAL 12 -22.543 -10.087 -13.670 88 HG22 VAL 12 HG22 VAL 12 -23.237 -8.489 -14.033 89 HG23 VAL 12 HG23 VAL 12 -21.995 -9.182 -15.102 90 H THR 13 H THR 13 -18.976 -6.666 -13.176 91 HA THR 13 HA THR 13 -18.285 -6.280 -10.535 92 HB THR 13 HB THR 13 -17.040 -5.281 -13.149 93 HG1 THR 13 HG1 THR 13 -16.546 -7.497 -11.288 94 HG21 THR 13 HG21 THR 13 -14.963 -5.031 -11.962 95 HG22 THR 13 HG22 THR 13 -16.157 -4.179 -10.953 96 HG23 THR 13 HG23 THR 13 -15.617 -5.814 -10.504 97 H PHE 14 H PHE 14 -19.073 -3.766 -13.020 98 HA PHE 14 HA PHE 14 -18.595 -1.540 -11.577 99 HB2 PHE 14 HB2 PHE 14 -19.404 -1.452 -13.874 100 HB3 PHE 14 HB3 PHE 14 -20.820 -2.410 -13.489 101 HD1 PHE 14 HD1 PHE 14 -19.337 0.932 -13.368 102 HD2 PHE 14 HD2 PHE 14 -22.778 -1.389 -12.481 103 HE1 PHE 14 HE1 PHE 14 -20.681 3.033 -13.081 104 HE2 PHE 14 HE2 PHE 14 -24.121 0.712 -12.195 105 HZ PHE 14 HZ PHE 14 -23.056 2.898 -12.498 106 H GLY 15 H GLY 15 -21.859 -3.151 -11.719 107 HA2 GLY 15 HA2 GLY 15 -23.008 -1.630 -9.679 108 HA3 GLY 15 HA3 GLY 15 -23.550 -3.200 -10.241 109 H SER 16 H SER 16 -21.864 -5.086 -9.523 110 HA SER 16 HA SER 16 -22.224 -5.594 -6.967 111 HB2 SER 16 HB2 SER 16 -20.846 -6.817 -8.960 112 HB3 SER 16 HB3 SER 16 -19.490 -6.308 -7.975 113 HG SER 16 HG SER 16 -21.613 -7.485 -6.537 114 H ILE 17 H ILE 17 -19.041 -4.265 -8.153 115 HA ILE 17 HA ILE 17 -17.941 -3.718 -5.725 116 HB ILE 17 HB ILE 17 -17.279 -3.344 -8.350 117 HG12 ILE 17 HG12 ILE 17 -15.154 -2.248 -7.235 118 HG13 ILE 17 HG13 ILE 17 -15.953 -2.687 -5.738 119 HG21 ILE 17 HG21 ILE 17 -18.336 -1.194 -8.540 120 HG22 ILE 17 HG22 ILE 17 -17.525 -0.611 -7.067 121 HG23 ILE 17 HG23 ILE 17 -16.571 -0.964 -8.527 122 HD11 ILE 17 HD11 ILE 17 -16.093 -5.041 -6.441 123 HD12 ILE 17 HD12 ILE 17 -15.410 -4.628 -8.032 124 HD13 ILE 17 HD13 ILE 17 -14.409 -4.478 -6.568 125 H PHE 18 H PHE 18 -20.236 -1.701 -7.645 126 HA PHE 18 HA PHE 18 -20.174 0.582 -6.158 127 HB2 PHE 18 HB2 PHE 18 -21.615 -0.470 -8.253 128 HB3 PHE 18 HB3 PHE 18 -22.832 -0.609 -6.999 129 HD1 PHE 18 HD1 PHE 18 -23.351 1.550 -5.649 130 HD2 PHE 18 HD2 PHE 18 -21.367 1.538 -9.401 131 HE1 PHE 18 HE1 PHE 18 -23.976 3.957 -5.988 132 HE2 PHE 18 HE2 PHE 18 -21.992 3.945 -9.739 133 HZ PHE 18 HZ PHE 18 -23.289 5.126 -8.028 134 H GLY 19 H GLY 19 -22.003 -2.466 -5.513 135 HA2 GLY 19 HA2 GLY 19 -23.251 -1.371 -3.150 136 HA3 GLY 19 HA3 GLY 19 -23.365 -3.007 -3.767 137 H TYR 20 H TYR 20 -20.223 -2.940 -3.992 138 HA TYR 20 HA TYR 20 -18.500 -3.617 -2.774 139 HB2 TYR 20 HB2 TYR 20 -19.364 -1.372 -1.576 140 HB3 TYR 20 HB3 TYR 20 -19.934 -2.459 -0.326 141 HD1 TYR 20 HD1 TYR 20 -18.227 -3.978 0.836 142 HD2 TYR 20 HD2 TYR 20 -17.102 -0.680 -1.646 143 HE1 TYR 20 HE1 TYR 20 -15.918 -3.957 1.899 144 HE2 TYR 20 HE2 TYR 20 -14.796 -0.670 -0.574 145 HH TYR 20 HH TYR 20 -13.841 -1.398 1.645 146 H LYS 21 H LYS 21 -17.947 -5.588 -1.926 147 HA LYS 21 HA LYS 21 -20.120 -7.035 -0.592 148 HB2 LYS 21 HB2 LYS 21 -18.593 -7.706 -2.821 149 HB3 LYS 21 HB3 LYS 21 -17.853 -8.627 -1.528 150 HG2 LYS 21 HG2 LYS 21 -20.133 -9.481 -0.868 151 HG3 LYS 21 HG3 LYS 21 -20.829 -8.609 -2.218 152 HD2 LYS 21 HD2 LYS 21 -18.522 -10.380 -2.907 153 HD3 LYS 21 HD3 LYS 21 -19.960 -11.214 -2.352 154 HE2 LYS 21 HE2 LYS 21 -21.199 -10.618 -4.212 155 HE3 LYS 21 HE3 LYS 21 -20.455 -9.036 -4.337 156 HZ1 LYS 21 HZ1 LYS 21 -19.849 -10.635 -6.103 157 HZ2 LYS 21 HZ2 LYS 21 -18.565 -9.984 -5.332 158 HZ3 LYS 21 HZ3 LYS 21 -19.029 -11.514 -4.998 159 H ARG 22 H ARG 22 -18.849 -8.997 0.764 160 HA ARG 22 HA ARG 22 -17.791 -7.539 2.922 161 HB2 ARG 22 HB2 ARG 22 -18.728 -10.265 2.376 162 HB3 ARG 22 HB3 ARG 22 -17.263 -10.307 3.336 163 HG2 ARG 22 HG2 ARG 22 -18.450 -9.738 5.179 164 HG3 ARG 22 HG3 ARG 22 -18.888 -8.216 4.430 165 HD2 ARG 22 HD2 ARG 22 -20.998 -8.945 3.865 166 HD3 ARG 22 HD3 ARG 22 -20.437 -10.541 3.408 167 HE ARG 22 HE ARG 22 -20.161 -10.370 6.221 168 HH11 ARG 22 HH22 ARG 22 -22.754 -10.293 3.844 169 HH12 ARG 22 HH21 ARG 22 -23.938 -10.947 4.925 170 HH21 ARG 22 HH12 ARG 22 -21.723 -11.233 7.649 171 HH22 ARG 22 HH11 ARG 22 -23.347 -11.486 7.104 172 H ARG 23 H ARG 23 -16.478 -9.735 0.385 173 HA ARG 23 HA ARG 23 -14.115 -8.638 0.073 174 HB2 ARG 23 HB2 ARG 23 -14.155 -9.992 2.693 175 HB3 ARG 23 HB3 ARG 23 -12.880 -10.619 1.667 176 HG2 ARG 23 HG2 ARG 23 -11.776 -8.546 1.523 177 HG3 ARG 23 HG3 ARG 23 -13.234 -7.624 1.829 178 HD2 ARG 23 HD2 ARG 23 -12.382 -7.407 3.949 179 HD3 ARG 23 HD3 ARG 23 -13.041 -9.012 4.195 180 HE ARG 23 HE ARG 23 -10.459 -9.316 3.030 181 HH11 ARG 23 HH22 ARG 23 -11.907 -8.183 6.030 182 HH12 ARG 23 HH21 ARG 23 -10.527 -8.585 6.997 183 HH21 ARG 23 HH12 ARG 23 -8.638 -9.845 4.305 184 HH22 ARG 23 HH11 ARG 23 -8.655 -9.536 6.009 185 H GLY 24 H GLY 24 -12.263 -10.621 -0.363 186 HA2 GLY 24 HA2 GLY 24 -12.237 -12.991 -0.994 187 HA3 GLY 24 HA3 GLY 24 -13.784 -12.732 -1.775 188 H GLY 25 H GLY 25 -10.313 -11.757 -1.823 189 HA2 GLY 25 HA2 GLY 25 -10.084 -11.976 -4.608 190 HA3 GLY 25 HA3 GLY 25 -10.383 -10.293 -4.220 191 H VAL 26 H VAL 26 -9.024 -9.539 -2.115 192 HA VAL 26 HA VAL 26 -6.426 -10.792 -2.017 193 HB VAL 26 HB VAL 26 -5.337 -8.552 -2.520 194 HG11 VAL 26 HG11 VAL 26 -5.093 -9.061 -4.824 195 HG12 VAL 26 HG12 VAL 26 -5.393 -10.616 -4.011 196 HG13 VAL 26 HG13 VAL 26 -6.704 -9.814 -4.909 197 HG21 VAL 26 HG21 VAL 26 -6.582 -7.058 -4.057 198 HG22 VAL 26 HG22 VAL 26 -8.050 -8.026 -3.779 199 HG23 VAL 26 HG23 VAL 26 -7.309 -7.128 -2.433 200 HA PRO 27 HA PRO 27 -7.683 -9.154 1.923 201 HB2 PRO 27 HB2 PRO 27 -6.647 -11.177 3.440 202 HB3 PRO 27 HB3 PRO 27 -8.287 -11.185 2.824 203 HG2 PRO 27 HG2 PRO 27 -5.945 -12.726 1.884 204 HG3 PRO 27 HG3 PRO 27 -7.646 -13.019 1.580 205 HD2 PRO 27 HD2 PRO 27 -5.751 -11.873 -0.242 206 HD3 PRO 27 HD3 PRO 27 -7.474 -12.060 -0.502 207 H SER 28 H SER 28 -4.865 -9.392 0.317 208 HA SER 28 HA SER 28 -3.336 -8.469 2.600 209 HB2 SER 28 HB2 SER 28 -2.476 -9.265 -0.217 210 HB3 SER 28 HB3 SER 28 -1.373 -8.712 1.028 211 HG SER 28 HG SER 28 -2.964 -11.119 0.994 212 H LEU 29 H LEU 29 -3.674 -7.624 -0.933 213 HA LEU 29 HA LEU 29 -2.574 -5.172 -0.920 214 HB2 LEU 29 HB2 LEU 29 -3.734 -6.605 -2.767 215 HB3 LEU 29 HB3 LEU 29 -5.143 -5.632 -2.394 216 HG LEU 29 HG LEU 29 -3.158 -3.726 -2.698 217 HD11 LEU 29 HD11 LEU 29 -1.517 -4.405 -4.027 218 HD12 LEU 29 HD12 LEU 29 -2.130 -6.068 -3.871 219 HD13 LEU 29 HD13 LEU 29 -2.678 -5.040 -5.217 220 HD21 LEU 29 HD21 LEU 29 -5.143 -4.779 -4.731 221 HD22 LEU 29 HD22 LEU 29 -5.426 -3.517 -3.508 222 HD23 LEU 29 HD23 LEU 29 -4.284 -3.224 -4.842 223 H ILE 30 H ILE 30 -5.999 -5.955 -0.028 224 HA ILE 30 HA ILE 30 -6.883 -3.418 0.448 225 HB ILE 30 HB ILE 30 -8.440 -4.495 2.070 226 HG12 ILE 30 HG12 ILE 30 -8.179 -7.164 1.802 227 HG13 ILE 30 HG13 ILE 30 -6.484 -6.719 1.768 228 HG21 ILE 30 HG21 ILE 30 -8.971 -4.358 -0.299 229 HG22 ILE 30 HG22 ILE 30 -8.079 -5.867 -0.608 230 HG23 ILE 30 HG23 ILE 30 -9.556 -5.894 0.385 231 HD11 ILE 30 HD11 ILE 30 -8.403 -6.640 4.014 232 HD12 ILE 30 HD12 ILE 30 -6.625 -6.714 4.042 233 HD13 ILE 30 HD13 ILE 30 -7.447 -5.147 3.851 234 H ALA 31 H ALA 31 -5.155 -5.631 2.743 235 HA ALA 31 HA ALA 31 -5.158 -3.918 4.912 236 HB1 ALA 31 HB1 ALA 31 -4.189 -6.442 4.280 237 HB2 ALA 31 HB2 ALA 31 -2.705 -5.510 4.589 238 HB3 ALA 31 HB3 ALA 31 -3.971 -5.605 5.836 239 H GLY 32 H GLY 32 -3.073 -4.048 2.000 240 HA2 GLY 32 HA2 GLY 32 -1.103 -2.239 2.945 241 HA3 GLY 32 HA3 GLY 32 -1.412 -2.705 1.284 242 H LEU 33 H LEU 33 -4.326 -1.887 1.446 243 HA LEU 33 HA LEU 33 -3.897 0.847 0.730 244 HB2 LEU 33 HB2 LEU 33 -5.374 -0.479 -0.587 245 HB3 LEU 33 HB3 LEU 33 -6.318 -0.948 0.813 246 HG LEU 33 HG LEU 33 -6.232 1.956 0.455 247 HD11 LEU 33 HD11 LEU 33 -8.001 1.580 -1.521 248 HD12 LEU 33 HD12 LEU 33 -6.273 1.897 -1.810 249 HD13 LEU 33 HD13 LEU 33 -6.895 0.230 -1.872 250 HD21 LEU 33 HD21 LEU 33 -7.885 0.050 1.630 251 HD22 LEU 33 HD22 LEU 33 -8.203 1.795 1.474 252 HD23 LEU 33 HD23 LEU 33 -8.828 0.663 0.250 253 H PHE 34 H PHE 34 -5.384 -0.972 3.452 254 HA PHE 34 HA PHE 34 -6.523 1.251 4.703 255 HB2 PHE 34 HB2 PHE 34 -7.027 -1.158 5.190 256 HB3 PHE 34 HB3 PHE 34 -5.373 -1.421 5.705 257 HD1 PHE 34 HD2 PHE 34 -4.566 -0.379 7.826 258 HD2 PHE 34 HD1 PHE 34 -8.649 -0.255 6.679 259 HE1 PHE 34 HE2 PHE 34 -5.212 0.179 10.187 260 HE2 PHE 34 HE1 PHE 34 -9.296 0.302 9.039 261 HZ PHE 34 HZ PHE 34 -7.570 0.513 10.765 262 H VAL 35 H VAL 35 -3.301 -0.360 5.073 263 HA VAL 35 HA VAL 35 -2.465 1.305 7.185 264 HB VAL 35 HB VAL 35 -1.561 -0.927 6.643 265 HG11 VAL 35 HG11 VAL 35 -0.043 -1.288 4.819 266 HG12 VAL 35 HG12 VAL 35 -1.537 -0.587 4.152 267 HG13 VAL 35 HG13 VAL 35 -0.092 0.432 4.362 268 HG21 VAL 35 HG21 VAL 35 -0.317 0.820 7.998 269 HG22 VAL 35 HG22 VAL 35 0.689 -0.456 7.270 270 HG23 VAL 35 HG23 VAL 35 0.632 1.163 6.531 271 H GLY 36 H GLY 36 -1.902 1.365 3.603 272 HA2 GLY 36 HA2 GLY 36 -0.242 3.579 3.494 273 HA3 GLY 36 HA3 GLY 36 -1.336 3.051 2.230 274 H CYS 37 H CYS 37 -3.827 3.350 3.772 275 HA CYS 37 HA CYS 37 -4.288 6.065 3.225 276 HB2 CYS 37 HB2 CYS 37 -5.889 3.901 3.393 277 HB3 CYS 37 HB3 CYS 37 -6.190 4.584 4.979 278 HG CYS 37 HG CYS 37 -7.369 5.323 2.228 279 H LEU 38 H LEU 38 -4.417 4.175 6.344 280 HA LEU 38 HA LEU 38 -4.735 6.155 8.112 281 HB2 LEU 38 HB2 LEU 38 -4.528 3.723 8.563 282 HB3 LEU 38 HB3 LEU 38 -2.787 3.866 8.417 283 HG LEU 38 HG LEU 38 -3.344 5.795 10.296 284 HD11 LEU 38 HD11 LEU 38 -5.480 3.719 10.400 285 HD12 LEU 38 HD12 LEU 38 -4.764 4.252 11.940 286 HD13 LEU 38 HD13 LEU 38 -5.521 5.440 10.852 287 HD21 LEU 38 HD21 LEU 38 -1.503 4.365 10.571 288 HD22 LEU 38 HD22 LEU 38 -2.571 4.005 11.948 289 HD23 LEU 38 HD23 LEU 38 -2.519 2.904 10.551 290 H ALA 39 H ALA 39 -1.571 5.179 6.637 291 HA ALA 39 HA ALA 39 0.003 7.010 7.975 292 HB1 ALA 39 HB1 ALA 39 1.642 6.298 6.529 293 HB2 ALA 39 HB2 ALA 39 0.439 5.025 6.211 294 HB3 ALA 39 HB3 ALA 39 0.584 6.409 5.102 295 H GLY 40 H GLY 40 -1.297 7.344 4.590 296 HA2 GLY 40 HA2 GLY 40 -0.658 10.046 4.315 297 HA3 GLY 40 HA3 GLY 40 -1.863 9.163 3.400 298 H TYR 41 H TYR 41 -4.072 8.878 4.395 299 HA TYR 41 HA TYR 41 -5.298 11.163 5.017 300 HB2 TYR 41 HB2 TYR 41 -6.270 8.831 4.644 301 HB3 TYR 41 HB3 TYR 41 -5.731 8.369 6.247 302 HD1 TYR 41 HD1 TYR 41 -7.728 11.170 4.722 303 HD2 TYR 41 HD2 TYR 41 -7.381 8.287 7.865 304 HE1 TYR 41 HE1 TYR 41 -9.940 11.958 5.699 305 HE2 TYR 41 HE2 TYR 41 -9.593 9.085 8.831 306 HH TYR 41 HH TYR 41 -10.997 10.936 8.818 307 H GLY 42 H GLY 42 -4.219 8.794 7.564 308 HA2 GLY 42 HA2 GLY 42 -4.848 10.267 9.788 309 HA3 GLY 42 HA3 GLY 42 -3.521 9.128 9.677 310 H ALA 43 H ALA 43 -1.713 10.285 7.939 311 HA ALA 43 HA ALA 43 -0.386 12.097 9.528 312 HB1 ALA 43 HB1 ALA 43 0.834 12.596 7.294 313 HB2 ALA 43 HB2 ALA 43 0.850 10.921 7.895 314 HB3 ALA 43 HB3 ALA 43 -0.263 11.386 6.586 315 H TYR 44 H TYR 44 -2.926 12.580 7.077 316 HA TYR 44 HA TYR 44 -2.519 15.414 6.946 317 HB2 TYR 44 HB2 TYR 44 -3.586 13.563 5.301 318 HB3 TYR 44 HB3 TYR 44 -5.038 13.820 6.249 319 HD1 TYR 44 HD1 TYR 44 -2.525 15.612 4.147 320 HD2 TYR 44 HD2 TYR 44 -6.482 15.623 5.773 321 HE1 TYR 44 HE1 TYR 44 -3.120 17.619 2.705 322 HE2 TYR 44 HE2 TYR 44 -7.063 17.630 4.326 323 HH TYR 44 HH TYR 44 -5.186 18.589 1.737 324 H ARG 45 H ARG 45 -4.441 13.131 8.879 325 HA ARG 45 HA ARG 45 -6.234 15.117 9.774 326 HB2 ARG 45 HB2 ARG 45 -5.697 12.228 10.312 327 HB3 ARG 45 HB3 ARG 45 -6.381 13.101 11.669 328 HG2 ARG 45 HG2 ARG 45 -7.976 14.037 9.631 329 HG3 ARG 45 HG3 ARG 45 -7.609 12.433 9.028 330 HD2 ARG 45 HD2 ARG 45 -8.554 12.862 11.892 331 HD3 ARG 45 HD3 ARG 45 -9.696 12.703 10.572 332 HE ARG 45 HE ARG 45 -7.918 10.539 10.293 333 HH11 ARG 45 HH22 ARG 45 -10.181 11.701 12.723 334 HH12 ARG 45 HH21 ARG 45 -10.519 10.121 13.348 335 HH21 ARG 45 HH12 ARG 45 -8.363 8.454 11.116 336 HH22 ARG 45 HH11 ARG 45 -9.478 8.262 12.428 337 H VAL 46 H VAL 46 -3.314 13.439 11.113 338 HA VAL 46 HA VAL 46 -3.407 15.001 13.524 339 HB VAL 46 HB VAL 46 -2.682 12.651 13.461 340 HG11 VAL 46 HG11 VAL 46 -1.236 11.880 11.950 341 HG12 VAL 46 HG12 VAL 46 -1.125 13.514 11.252 342 HG13 VAL 46 HG13 VAL 46 0.014 13.010 12.523 343 HG21 VAL 46 HG21 VAL 46 -0.826 12.882 14.966 344 HG22 VAL 46 HG22 VAL 46 -0.404 14.475 14.292 345 HG23 VAL 46 HG23 VAL 46 -1.909 14.271 15.221 346 H SER 47 H SER 47 -1.838 15.078 10.335 347 HA SER 47 HA SER 47 -0.270 16.377 9.504 348 HB2 SER 47 HB2 SER 47 -2.566 17.868 10.242 349 HB3 SER 47 HB3 SER 47 -1.208 18.893 10.660 350 HG SER 47 HG SER 47 -2.237 18.675 8.275 351 H ASN 48 H ASN 48 1.653 15.740 10.621 352 HA ASN 48 HA ASN 48 2.769 17.805 12.188 353 HB2 ASN 48 HB2 ASN 48 1.425 15.693 13.599 354 HB3 ASN 48 HB3 ASN 48 3.140 15.389 13.787 355 HD21 ASN 48 HD21 ASN 48 4.486 16.962 14.718 356 HD22 ASN 48 HD22 ASN 48 3.874 18.204 15.759 357 H ASP 49 H ASP 49 2.803 14.328 11.174 358 HA ASP 49 HA ASP 49 5.673 14.600 10.746 359 HB2 ASP 49 HB2 ASP 49 4.534 12.742 12.294 360 HB3 ASP 49 HB3 ASP 49 4.221 11.943 10.766 361 H LYS 50 H LYS 50 5.887 15.185 8.559 362 HA LYS 50 HA LYS 50 5.716 15.116 6.360 363 HB2 LYS 50 HB2 LYS 50 5.016 12.232 6.948 364 HB3 LYS 50 HB3 LYS 50 5.200 12.848 5.318 365 HG2 LYS 50 HG2 LYS 50 7.344 13.112 7.478 366 HG3 LYS 50 HG3 LYS 50 7.306 11.812 6.303 367 HD2 LYS 50 HD2 LYS 50 8.450 13.152 4.877 368 HD3 LYS 50 HD3 LYS 50 7.020 14.156 4.750 369 HE2 LYS 50 HE2 LYS 50 7.812 15.739 6.282 370 HE3 LYS 50 HE3 LYS 50 8.785 14.572 7.156 371 HZ1 LYS 50 HZ1 LYS 50 10.414 14.646 5.539 372 HZ2 LYS 50 HZ2 LYS 50 9.443 15.302 4.402 373 HZ3 LYS 50 HZ3 LYS 50 9.958 16.210 5.659 374 H ARG 51 H ARG 51 3.983 14.276 4.468 375 HA ARG 51 HA ARG 51 1.346 14.818 5.527 376 HB2 ARG 51 HB2 ARG 51 2.802 16.414 3.385 377 HB3 ARG 51 HB3 ARG 51 1.051 16.335 3.383 378 HG2 ARG 51 HG2 ARG 51 1.479 18.266 4.674 379 HG3 ARG 51 HG3 ARG 51 1.204 17.041 5.896 380 HD2 ARG 51 HD2 ARG 51 3.241 17.550 6.764 381 HD3 ARG 51 HD3 ARG 51 3.968 16.843 5.335 382 HE ARG 51 HE ARG 51 3.145 19.503 4.688 383 HH11 ARG 51 HH22 ARG 51 5.523 17.838 6.675 384 HH12 ARG 51 HH21 ARG 51 6.673 19.132 6.609 385 HH21 ARG 51 HH12 ARG 51 4.661 21.210 4.600 386 HH22 ARG 51 HH11 ARG 51 6.179 21.063 5.421 387 H ASP 52 H ASP 52 3.234 14.269 2.456 388 HA ASP 52 HA ASP 52 1.713 11.899 1.994 389 HB2 ASP 52 HB2 ASP 52 1.157 12.702 -0.399 390 HB3 ASP 52 HB3 ASP 52 0.166 13.334 0.901 391 H VAL 53 H VAL 53 2.505 11.075 -0.423 392 HA VAL 53 HA VAL 53 4.186 10.417 -1.696 393 HB VAL 53 HB VAL 53 5.402 13.073 -0.912 394 HG11 VAL 53 HG11 VAL 53 6.920 11.178 -1.889 395 HG12 VAL 53 HG12 VAL 53 6.097 11.561 -3.420 396 HG13 VAL 53 HG13 VAL 53 7.015 12.823 -2.563 397 HG21 VAL 53 HG21 VAL 53 3.224 12.330 -2.691 398 HG22 VAL 53 HG22 VAL 53 3.768 13.941 -2.166 399 HG23 VAL 53 HG23 VAL 53 4.532 13.157 -3.570 400 H LYS 54 H LYS 54 6.242 12.245 0.642 401 HA LYS 54 HA LYS 54 8.071 10.260 1.014 402 HB2 LYS 54 HB2 LYS 54 7.225 12.684 2.514 403 HB3 LYS 54 HB3 LYS 54 8.183 11.518 3.406 404 HG2 LYS 54 HG2 LYS 54 9.546 11.621 0.989 405 HG3 LYS 54 HG3 LYS 54 8.968 13.269 1.133 406 HD2 LYS 54 HD2 LYS 54 10.191 13.683 3.095 407 HD3 LYS 54 HD3 LYS 54 10.210 11.996 3.570 408 HE2 LYS 54 HE2 LYS 54 12.449 12.478 2.862 409 HE3 LYS 54 HE3 LYS 54 11.741 11.553 1.552 410 HZ1 LYS 54 HZ1 LYS 54 11.827 13.304 0.207 411 HZ2 LYS 54 HZ2 LYS 54 11.341 14.376 1.339 412 HZ3 LYS 54 HZ3 LYS 54 12.908 13.923 1.263 413 H VAL 55 H VAL 55 5.070 10.896 2.943 414 HA VAL 55 HA VAL 55 5.301 9.057 4.885 415 HB VAL 55 HB VAL 55 2.915 9.812 3.199 416 HG11 VAL 55 HG11 VAL 55 3.026 8.152 5.733 417 HG12 VAL 55 HG12 VAL 55 1.553 8.966 5.154 418 HG13 VAL 55 HG13 VAL 55 2.324 7.707 4.159 419 HG21 VAL 55 HG21 VAL 55 4.366 11.033 5.419 420 HG22 VAL 55 HG22 VAL 55 3.146 11.732 4.328 421 HG23 VAL 55 HG23 VAL 55 2.634 10.831 5.775 422 H SER 56 H SER 56 3.915 8.364 1.593 423 HA SER 56 HA SER 56 3.513 5.726 1.902 424 HB2 SER 56 HB2 SER 56 3.873 7.577 -0.316 425 HB3 SER 56 HB3 SER 56 4.584 6.027 -0.721 426 HG SER 56 HG SER 56 1.975 6.698 -0.730 427 H LEU 57 H LEU 57 6.591 7.402 0.999 428 HA LEU 57 HA LEU 57 8.118 5.164 0.483 429 HB2 LEU 57 HB2 LEU 57 8.486 7.970 0.865 430 HB3 LEU 57 HB3 LEU 57 9.721 7.124 1.776 431 HG LEU 57 HG LEU 57 10.501 7.704 -0.459 432 HD11 LEU 57 HD11 LEU 57 10.977 5.247 -1.248 433 HD12 LEU 57 HD12 LEU 57 11.663 5.862 0.275 434 HD13 LEU 57 HD13 LEU 57 10.220 4.820 0.305 435 HD21 LEU 57 HD21 LEU 57 8.085 7.459 -1.417 436 HD22 LEU 57 HD22 LEU 57 9.494 7.117 -2.449 437 HD23 LEU 57 HD23 LEU 57 8.578 5.776 -1.720 438 H PHE 58 H PHE 58 7.311 6.775 3.603 439 HA PHE 58 HA PHE 58 9.001 5.080 5.119 440 HB2 PHE 58 HB2 PHE 58 8.192 7.367 5.799 441 HB3 PHE 58 HB3 PHE 58 6.532 6.807 5.749 442 HD1 PHE 58 HD1 PHE 58 5.911 4.879 7.368 443 HD2 PHE 58 HD2 PHE 58 9.387 7.276 7.795 444 HE1 PHE 58 HE1 PHE 58 6.054 4.241 9.792 445 HE2 PHE 58 HE2 PHE 58 9.530 6.638 10.218 446 HZ PHE 58 HZ PHE 58 7.861 5.128 11.188 447 H THR 59 H THR 59 5.774 4.788 3.752 448 HA THR 59 HA THR 59 4.855 2.825 5.619 449 HB THR 59 HB THR 59 3.942 3.928 2.926 450 HG1 THR 59 HG1 THR 59 2.851 3.771 5.647 451 HG21 THR 59 HG21 THR 59 2.447 1.928 4.697 452 HG22 THR 59 HG22 THR 59 1.879 2.634 3.165 453 HG23 THR 59 HG23 THR 59 3.234 1.480 3.165 454 H ALA 60 H ALA 60 5.800 2.606 2.118 455 HA ALA 60 HA ALA 60 5.812 -0.177 2.090 456 HB1 ALA 60 HB1 ALA 60 6.709 2.068 0.384 457 HB2 ALA 60 HB2 ALA 60 7.619 0.557 0.150 458 HB3 ALA 60 HB3 ALA 60 5.851 0.571 -0.052 459 H PHE 61 H PHE 61 8.347 2.248 2.893 460 HA PHE 61 HA PHE 61 10.490 0.486 2.994 461 HB2 PHE 61 HB2 PHE 61 10.684 2.957 3.039 462 HB3 PHE 61 HB3 PHE 61 9.712 3.052 4.495 463 HD1 PHE 61 HD2 PHE 61 12.988 1.939 3.182 464 HD2 PHE 61 HD1 PHE 61 10.706 2.886 6.631 465 HE1 PHE 61 HE2 PHE 61 15.073 1.878 4.578 466 HE2 PHE 61 HE1 PHE 61 12.791 2.825 8.027 467 HZ PHE 61 HZ PHE 61 14.950 2.322 6.984 468 H PHE 62 H PHE 62 8.276 1.638 5.636 469 HA PHE 62 HA PHE 62 9.500 0.094 7.627 470 HB2 PHE 62 HB2 PHE 62 8.017 2.057 8.031 471 HB3 PHE 62 HB3 PHE 62 6.691 1.269 7.200 472 HD1 PHE 62 HD1 PHE 62 8.696 1.304 10.279 473 HD2 PHE 62 HD2 PHE 62 5.334 -0.376 8.308 474 HE1 PHE 62 HE1 PHE 62 7.889 0.360 12.460 475 HE2 PHE 62 HE2 PHE 62 4.527 -1.320 10.490 476 HZ PHE 62 HZ PHE 62 5.814 -0.940 12.539 477 H LEU 63 H LEU 63 6.902 -0.567 5.256 478 HA LEU 63 HA LEU 63 5.893 -2.866 6.483 479 HB2 LEU 63 HB2 LEU 63 5.483 -1.359 4.118 480 HB3 LEU 63 HB3 LEU 63 5.738 -3.021 3.625 481 HG LEU 63 HG LEU 63 3.360 -2.467 3.949 482 HD11 LEU 63 HD11 LEU 63 2.747 -4.431 5.237 483 HD12 LEU 63 HD12 LEU 63 4.159 -4.781 4.212 484 HD13 LEU 63 HD13 LEU 63 4.374 -4.499 5.957 485 HD21 LEU 63 HD21 LEU 63 3.130 -2.519 6.778 486 HD22 LEU 63 HD22 LEU 63 4.317 -1.260 6.359 487 HD23 LEU 63 HD23 LEU 63 2.685 -1.217 5.649 488 H ALA 64 H ALA 64 7.992 -2.748 3.517 489 HA ALA 64 HA ALA 64 8.699 -5.378 3.514 490 HB1 ALA 64 HB1 ALA 64 10.114 -2.847 2.638 491 HB2 ALA 64 HB2 ALA 64 10.840 -4.451 2.378 492 HB3 ALA 64 HB3 ALA 64 9.268 -4.055 1.643 493 H THR 65 H THR 65 10.274 -2.641 5.283 494 HA THR 65 HA THR 65 12.425 -4.016 6.319 495 HB THR 65 HB THR 65 10.701 -1.703 7.318 496 HG1 THR 65 HG1 THR 65 13.363 -2.152 6.163 497 HG21 THR 65 HG21 THR 65 11.931 -2.801 9.266 498 HG22 THR 65 HG22 THR 65 13.446 -2.572 8.360 499 HG23 THR 65 HG23 THR 65 12.504 -1.158 8.891 500 H ILE 66 H ILE 66 9.026 -3.917 7.488 501 HA ILE 66 HA ILE 66 9.632 -5.420 9.821 502 HB ILE 66 HB ILE 66 7.588 -3.835 9.027 503 HG12 ILE 66 HG12 ILE 66 6.514 -5.463 11.066 504 HG13 ILE 66 HG13 ILE 66 8.251 -5.512 11.290 505 HG21 ILE 66 HG21 ILE 66 5.679 -4.942 8.425 506 HG22 ILE 66 HG22 ILE 66 6.895 -5.946 7.599 507 HG23 ILE 66 HG23 ILE 66 6.203 -6.481 9.149 508 HD11 ILE 66 HD11 ILE 66 6.568 -2.979 11.012 509 HD12 ILE 66 HD12 ILE 66 7.284 -3.603 12.517 510 HD13 ILE 66 HD13 ILE 66 8.337 -3.016 11.208 511 H MET 67 H MET 67 8.873 -6.149 6.439 512 HA MET 67 HA MET 67 8.185 -8.845 6.984 513 HB2 MET 67 HB2 MET 67 8.349 -6.998 4.693 514 HB3 MET 67 HB3 MET 67 9.000 -8.567 4.261 515 HG2 MET 67 HG2 MET 67 6.722 -8.877 3.786 516 HG3 MET 67 HG3 MET 67 6.813 -9.516 5.415 517 HE1 MET 67 HE1 MET 67 3.970 -8.657 6.338 518 HE2 MET 67 HE2 MET 67 3.433 -7.772 4.890 519 HE3 MET 67 HE3 MET 67 4.406 -9.252 4.718 520 H GLY 68 H GLY 68 10.994 -7.302 5.247 521 HA2 GLY 68 HA2 GLY 68 12.639 -9.596 6.138 522 HA3 GLY 68 HA3 GLY 68 12.747 -8.905 4.531 523 H VAL 69 H VAL 69 14.508 -7.612 4.274 524 HA VAL 69 HA VAL 69 15.182 -5.839 6.514 525 HB VAL 69 HB VAL 69 17.033 -7.533 4.829 526 HG11 VAL 69 HG11 VAL 69 17.793 -5.425 6.879 527 HG12 VAL 69 HG12 VAL 69 18.901 -6.457 5.942 528 HG13 VAL 69 HG13 VAL 69 17.916 -5.226 5.114 529 HG21 VAL 69 HG21 VAL 69 17.068 -8.952 6.549 530 HG22 VAL 69 HG22 VAL 69 17.466 -7.638 7.683 531 HG23 VAL 69 HG23 VAL 69 15.765 -8.006 7.308 532 H ARG 70 H ARG 70 16.878 -6.224 3.386 533 HA ARG 70 HA ARG 70 15.416 -4.194 2.121 534 HB2 ARG 70 HB2 ARG 70 16.983 -3.009 3.912 535 HB3 ARG 70 HB3 ARG 70 18.263 -3.349 2.763 536 HG2 ARG 70 HG2 ARG 70 16.388 -2.294 1.066 537 HG3 ARG 70 HG3 ARG 70 15.962 -1.445 2.539 538 HD2 ARG 70 HD2 ARG 70 18.889 -1.539 2.036 539 HD3 ARG 70 HD3 ARG 70 17.994 -0.697 0.787 540 HE ARG 70 HE ARG 70 16.988 0.233 3.268 541 HH11 ARG 70 HH22 ARG 70 20.022 0.292 1.485 542 HH12 ARG 70 HH21 ARG 70 20.554 1.783 2.189 543 HH21 ARG 70 HH12 ARG 70 17.690 2.199 4.197 544 HH22 ARG 70 HH11 ARG 70 19.218 2.875 3.742 545 H PHE 71 H PHE 71 15.446 -5.883 0.484 546 HA PHE 71 HA PHE 71 17.550 -5.651 -1.348 547 HB2 PHE 71 HB2 PHE 71 18.524 -7.902 -1.095 548 HB3 PHE 71 HB3 PHE 71 18.592 -7.128 0.475 549 HD1 PHE 71 HD2 PHE 71 16.397 -7.559 1.960 550 HD2 PHE 71 HD1 PHE 71 17.771 -10.076 -1.168 551 HE1 PHE 71 HE2 PHE 71 15.149 -9.490 2.966 552 HE2 PHE 71 HE1 PHE 71 16.523 -12.007 -0.162 553 HZ PHE 71 HZ PHE 71 15.227 -11.691 1.893 554 H LYS 72 H LYS 72 17.274 -8.297 -2.547 555 HA LYS 72 HA LYS 72 14.492 -8.037 -3.426 556 HB2 LYS 72 HB2 LYS 72 16.946 -9.164 -4.802 557 HB3 LYS 72 HB3 LYS 72 15.322 -9.285 -5.448 558 HG2 LYS 72 HG2 LYS 72 15.104 -6.858 -5.574 559 HG3 LYS 72 HG3 LYS 72 16.587 -6.619 -4.672 560 HD2 LYS 72 HD2 LYS 72 17.442 -8.226 -6.784 561 HD3 LYS 72 HD3 LYS 72 16.209 -7.243 -7.548 562 HE2 LYS 72 HE2 LYS 72 17.460 -5.263 -6.214 563 HE3 LYS 72 HE3 LYS 72 18.806 -6.383 -6.274 564 HZ1 LYS 72 HZ1 LYS 72 17.434 -6.135 -8.758 565 HZ2 LYS 72 HZ2 LYS 72 18.093 -4.730 -8.251 566 HZ3 LYS 72 HZ3 LYS 72 19.033 -6.051 -8.440 567 H ARG 73 H ARG 73 13.042 -9.684 -3.145 568 HA ARG 73 HA ARG 73 14.134 -12.015 -1.800 569 HB2 ARG 73 HB2 ARG 73 11.373 -10.718 -1.767 570 HB3 ARG 73 HB3 ARG 73 11.628 -12.334 -1.140 571 HG2 ARG 73 HG2 ARG 73 12.083 -11.247 0.826 572 HG3 ARG 73 HG3 ARG 73 13.674 -11.022 0.126 573 HD2 ARG 73 HD2 ARG 73 13.371 -8.768 -0.134 574 HD3 ARG 73 HD3 ARG 73 11.756 -8.967 -0.785 575 HE ARG 73 HE ARG 73 11.748 -9.562 2.037 576 HH11 ARG 73 HH22 ARG 73 11.928 -6.859 -0.209 577 HH12 ARG 73 HH21 ARG 73 11.247 -5.722 0.906 578 HH21 ARG 73 HH12 ARG 73 10.849 -8.063 3.508 579 HH22 ARG 73 HH11 ARG 73 10.629 -6.411 3.035 580 H SER 74 H SER 74 12.234 -13.945 -2.152 581 HA SER 74 HA SER 74 10.841 -14.223 -4.381 582 HB2 SER 74 HB2 SER 74 13.730 -14.247 -5.043 583 HB3 SER 74 HB3 SER 74 12.864 -15.642 -5.657 584 HG SER 74 HG SER 74 12.952 -13.609 -7.037 585 H LYS 75 H LYS 75 10.186 -15.379 -2.250 586 HA LYS 75 HA LYS 75 10.424 -18.144 -2.645 587 HB2 LYS 75 HB2 LYS 75 12.725 -17.475 -1.635 588 HB3 LYS 75 HB3 LYS 75 11.848 -17.288 -0.130 589 HG2 LYS 75 HG2 LYS 75 10.911 -19.659 -0.521 590 HG3 LYS 75 HG3 LYS 75 12.067 -19.810 -1.830 591 HD2 LYS 75 HD2 LYS 75 13.066 -18.904 0.875 592 HD3 LYS 75 HD3 LYS 75 12.681 -20.599 0.653 593 HE2 LYS 75 HE2 LYS 75 14.149 -20.090 -1.636 594 HE3 LYS 75 HE3 LYS 75 14.916 -18.999 -0.500 595 HZ1 LYS 75 HZ1 LYS 75 14.628 -21.266 0.915 596 HZ2 LYS 75 HZ2 LYS 75 14.976 -21.836 -0.575 597 HZ3 LYS 75 HZ3 LYS 75 15.998 -20.795 0.159 598 H LYS 76 H LYS 76 8.134 -17.788 -2.621 599 HA LYS 76 HA LYS 76 6.143 -17.808 -1.669 600 HB2 LYS 76 HB2 LYS 76 7.803 -18.448 0.773 601 HB3 LYS 76 HB3 LYS 76 6.058 -18.310 0.857 602 HG2 LYS 76 HG2 LYS 76 7.099 -19.993 -1.386 603 HG3 LYS 76 HG3 LYS 76 7.385 -20.630 0.221 604 HD2 LYS 76 HD2 LYS 76 5.248 -21.387 0.238 605 HD3 LYS 76 HD3 LYS 76 4.707 -19.721 0.296 606 HE2 LYS 76 HE2 LYS 76 5.351 -20.099 -2.416 607 HE3 LYS 76 HE3 LYS 76 4.637 -21.630 -1.952 608 HZ1 LYS 76 HZ1 LYS 76 3.440 -18.970 -1.799 609 HZ2 LYS 76 HZ2 LYS 76 2.863 -20.305 -2.541 610 HZ3 LYS 76 HZ3 LYS 76 2.844 -20.204 -0.911 611 H ILE 77 H ILE 77 4.611 -16.457 -0.407 612 HA ILE 77 HA ILE 77 3.889 -14.358 -0.124 613 HB ILE 77 HB ILE 77 4.432 -15.137 2.109 614 HG12 ILE 77 HG12 ILE 77 4.744 -12.853 3.185 615 HG13 ILE 77 HG13 ILE 77 4.918 -12.199 1.569 616 HG21 ILE 77 HG21 ILE 77 6.590 -14.178 3.148 617 HG22 ILE 77 HG22 ILE 77 6.707 -15.633 2.130 618 HG23 ILE 77 HG23 ILE 77 7.164 -14.045 1.468 619 HD11 ILE 77 HD11 ILE 77 2.656 -12.047 1.508 620 HD12 ILE 77 HD12 ILE 77 2.626 -13.822 1.387 621 HD13 ILE 77 HD13 ILE 77 2.488 -13.036 2.978 622 H MET 78 H MET 78 5.131 -14.178 -2.427 623 HA MET 78 HA MET 78 7.446 -12.746 -2.601 624 HB2 MET 78 HB2 MET 78 5.174 -13.489 -4.304 625 HB3 MET 78 HB3 MET 78 5.715 -11.874 -4.717 626 HG2 MET 78 HG2 MET 78 7.731 -12.615 -5.558 627 HG3 MET 78 HG3 MET 78 7.924 -13.835 -4.315 628 HE1 MET 78 HE1 MET 78 8.392 -16.257 -6.057 629 HE2 MET 78 HE2 MET 78 8.161 -15.622 -7.704 630 HE3 MET 78 HE3 MET 78 8.995 -14.636 -6.479 631 HA PRO 79 HA PRO 79 6.052 -8.881 -1.040 632 HB2 PRO 79 HB2 PRO 79 8.499 -7.672 -0.900 633 HB3 PRO 79 HB3 PRO 79 7.855 -8.682 0.379 634 HG2 PRO 79 HG2 PRO 79 9.961 -9.312 -1.597 635 HG3 PRO 79 HG3 PRO 79 9.604 -10.113 -0.080 636 HD2 PRO 79 HD2 PRO 79 8.940 -11.044 -2.711 637 HD3 PRO 79 HD3 PRO 79 8.483 -11.785 -1.191 638 H ALA 80 H ALA 80 7.515 -9.577 -3.994 639 HA ALA 80 HA ALA 80 7.959 -7.204 -5.173 640 HB1 ALA 80 HB1 ALA 80 8.277 -9.255 -6.367 641 HB2 ALA 80 HB2 ALA 80 6.557 -9.689 -6.218 642 HB3 ALA 80 HB3 ALA 80 7.046 -8.338 -7.269 643 H GLY 81 H GLY 81 4.701 -8.815 -4.982 644 HA2 GLY 81 HA2 GLY 81 3.103 -7.020 -6.168 645 HA3 GLY 81 HA3 GLY 81 2.659 -7.869 -4.701 646 H LEU 82 H LEU 82 4.202 -6.787 -2.704 647 HA LEU 82 HA LEU 82 2.909 -4.493 -2.025 648 HB2 LEU 82 HB2 LEU 82 4.622 -6.159 -0.812 649 HB3 LEU 82 HB3 LEU 82 5.710 -4.814 -1.091 650 HG LEU 82 HG LEU 82 3.827 -3.372 0.006 651 HD11 LEU 82 HD11 LEU 82 2.157 -4.352 1.162 652 HD12 LEU 82 HD12 LEU 82 2.418 -5.675 0.000 653 HD13 LEU 82 HD13 LEU 82 3.146 -5.758 1.622 654 HD21 LEU 82 HD21 LEU 82 5.866 -5.135 1.295 655 HD22 LEU 82 HD22 LEU 82 5.785 -3.361 1.184 656 HD23 LEU 82 HD23 LEU 82 4.742 -4.229 2.335 657 H VAL 83 H VAL 83 6.151 -4.790 -3.621 658 HA VAL 83 HA VAL 83 6.664 -2.073 -3.778 659 HB VAL 83 HB VAL 83 7.473 -4.395 -5.533 660 HG11 VAL 83 HG11 VAL 83 8.507 -3.006 -6.938 661 HG12 VAL 83 HG12 VAL 83 7.761 -1.630 -6.090 662 HG13 VAL 83 HG13 VAL 83 9.362 -2.225 -5.586 663 HG21 VAL 83 HG21 VAL 83 9.141 -2.948 -3.466 664 HG22 VAL 83 HG22 VAL 83 8.107 -4.337 -3.053 665 HG23 VAL 83 HG23 VAL 83 9.434 -4.532 -4.223 666 H ALA 84 H ALA 84 4.719 -4.253 -5.865 667 HA ALA 84 HA ALA 84 4.357 -2.418 -7.956 668 HB1 ALA 84 HB1 ALA 84 2.175 -4.342 -7.365 669 HB2 ALA 84 HB2 ALA 84 3.122 -4.106 -8.853 670 HB3 ALA 84 HB3 ALA 84 3.798 -5.057 -7.509 671 H GLY 85 H GLY 85 2.862 -2.837 -4.760 672 HA2 GLY 85 HA2 GLY 85 0.535 -1.283 -5.276 673 HA3 GLY 85 HA3 GLY 85 1.192 -1.738 -3.716 674 H LEU 86 H LEU 86 3.684 -0.591 -3.583 675 HA LEU 86 HA LEU 86 3.133 2.037 -2.961 676 HB2 LEU 86 HB2 LEU 86 5.035 0.489 -2.228 677 HB3 LEU 86 HB3 LEU 86 5.862 0.997 -3.687 678 HG LEU 86 HG LEU 86 6.519 2.217 -1.599 679 HD11 LEU 86 HD11 LEU 86 6.425 3.097 -4.146 680 HD12 LEU 86 HD12 LEU 86 5.428 4.341 -3.353 681 HD13 LEU 86 HD13 LEU 86 7.092 4.043 -2.794 682 HD21 LEU 86 HD21 LEU 86 4.055 2.300 -0.804 683 HD22 LEU 86 HD22 LEU 86 5.119 3.689 -0.478 684 HD23 LEU 86 HD23 LEU 86 3.947 3.761 -1.815 685 H SER 87 H SER 87 4.551 0.600 -5.954 686 HA SER 87 HA SER 87 5.152 2.989 -7.176 687 HB2 SER 87 HB2 SER 87 5.531 0.394 -7.810 688 HB3 SER 87 HB3 SER 87 4.148 0.695 -8.843 689 HG SER 87 HG SER 87 6.339 2.548 -8.858 690 H LEU 88 H LEU 88 2.245 0.850 -7.700 691 HA LEU 88 HA LEU 88 0.830 2.378 -9.398 692 HB2 LEU 88 HB2 LEU 88 0.372 0.130 -7.989 693 HB3 LEU 88 HB3 LEU 88 -0.701 1.224 -7.138 694 HG LEU 88 HG LEU 88 -2.016 0.171 -8.783 695 HD11 LEU 88 HD11 LEU 88 -2.505 2.070 -10.440 696 HD12 LEU 88 HD12 LEU 88 -2.668 2.414 -8.701 697 HD13 LEU 88 HD13 LEU 88 -1.227 2.967 -9.586 698 HD21 LEU 88 HD21 LEU 88 -1.360 0.285 -11.246 699 HD22 LEU 88 HD22 LEU 88 0.273 0.705 -10.677 700 HD23 LEU 88 HD23 LEU 88 -0.457 -0.851 -10.215 701 H MET 89 H MET 89 1.044 2.804 -5.815 702 HA MET 89 HA MET 89 -0.783 4.839 -5.626 703 HB2 MET 89 HB2 MET 89 1.572 3.821 -4.064 704 HB3 MET 89 HB3 MET 89 1.088 5.460 -3.678 705 HG2 MET 89 HG2 MET 89 -1.217 3.613 -3.899 706 HG3 MET 89 HG3 MET 89 -0.080 3.129 -2.657 707 HE1 MET 89 HE1 MET 89 -3.272 5.618 -2.940 708 HE2 MET 89 HE2 MET 89 -2.943 3.896 -2.631 709 HE3 MET 89 HE3 MET 89 -3.230 5.006 -1.269 710 H MET 90 H MET 90 2.844 5.140 -5.808 711 HA MET 90 HA MET 90 3.070 7.792 -5.858 712 HB2 MET 90 HB2 MET 90 4.563 5.474 -6.916 713 HB3 MET 90 HB3 MET 90 4.843 6.898 -7.899 714 HG2 MET 90 HG2 MET 90 5.156 8.082 -5.508 715 HG3 MET 90 HG3 MET 90 5.499 6.446 -4.984 716 HE1 MET 90 HE1 MET 90 8.538 9.094 -6.041 717 HE2 MET 90 HE2 MET 90 7.167 9.548 -7.082 718 HE3 MET 90 HE3 MET 90 6.912 9.280 -5.341 719 H ILE 91 H ILE 91 2.538 5.730 -8.808 720 HA ILE 91 HA ILE 91 2.444 7.764 -10.651 721 HB ILE 91 HB ILE 91 1.028 5.104 -10.543 722 HG12 ILE 91 HG12 ILE 91 3.566 5.214 -10.526 723 HG13 ILE 91 HG13 ILE 91 2.826 4.248 -11.787 724 HG21 ILE 91 HG21 ILE 91 -0.281 6.116 -12.125 725 HG22 ILE 91 HG22 ILE 91 1.001 7.242 -12.634 726 HG23 ILE 91 HG23 ILE 91 1.058 5.537 -13.144 727 HD11 ILE 91 HD11 ILE 91 3.349 7.146 -12.405 728 HD12 ILE 91 HD12 ILE 91 4.746 6.045 -12.333 729 HD13 ILE 91 HD13 ILE 91 3.421 5.727 -13.478 730 H LEU 92 H LEU 92 -0.273 6.335 -8.718 731 HA LEU 92 HA LEU 92 -2.267 7.943 -9.767 732 HB2 LEU 92 HB2 LEU 92 -1.884 6.134 -7.527 733 HB3 LEU 92 HB3 LEU 92 -2.938 7.469 -7.103 734 HG LEU 92 HG LEU 92 -4.167 5.493 -7.906 735 HD11 LEU 92 HD11 LEU 92 -4.348 8.053 -9.489 736 HD12 LEU 92 HD12 LEU 92 -5.493 6.711 -9.729 737 HD13 LEU 92 HD13 LEU 92 -5.361 7.494 -8.136 738 HD21 LEU 92 HD21 LEU 92 -3.283 5.954 -10.719 739 HD22 LEU 92 HD22 LEU 92 -2.217 5.024 -9.639 740 HD23 LEU 92 HD23 LEU 92 -3.886 4.478 -9.929 741 H ARG 93 H ARG 93 0.298 8.619 -7.416 742 HA ARG 93 HA ARG 93 -0.954 10.948 -6.436 743 HB2 ARG 93 HB2 ARG 93 2.011 10.197 -6.347 744 HB3 ARG 93 HB3 ARG 93 1.206 11.351 -5.302 745 HG2 ARG 93 HG2 ARG 93 -0.354 9.051 -4.984 746 HG3 ARG 93 HG3 ARG 93 1.263 8.395 -5.148 747 HD2 ARG 93 HD2 ARG 93 2.037 9.417 -3.192 748 HD3 ARG 93 HD3 ARG 93 0.936 10.773 -3.330 749 HE ARG 93 HE ARG 93 0.436 8.334 -1.893 750 HH11 ARG 93 HH22 ARG 93 -1.199 10.677 -3.947 751 HH12 ARG 93 HH21 ARG 93 -2.762 10.375 -3.264 752 HH21 ARG 93 HH12 ARG 93 -1.626 7.936 -0.992 753 HH22 ARG 93 HH11 ARG 93 -3.006 8.806 -1.572 754 H LEU 94 H LEU 94 1.189 10.102 -9.137 755 HA LEU 94 HA LEU 94 2.299 12.590 -9.657 756 HB2 LEU 94 HB2 LEU 94 2.301 10.037 -10.780 757 HB3 LEU 94 HB3 LEU 94 1.667 11.068 -12.047 758 HG LEU 94 HG LEU 94 4.014 10.918 -12.364 759 HD11 LEU 94 HD11 LEU 94 4.596 13.451 -11.446 760 HD12 LEU 94 HD12 LEU 94 3.804 13.050 -12.988 761 HD13 LEU 94 HD13 LEU 94 2.820 13.467 -11.565 762 HD21 LEU 94 HD21 LEU 94 5.682 11.168 -10.746 763 HD22 LEU 94 HD22 LEU 94 4.581 11.960 -9.593 764 HD23 LEU 94 HD23 LEU 94 4.419 10.219 -9.925 765 H VAL 95 H VAL 95 -0.940 11.252 -10.298 766 HA VAL 95 HA VAL 95 -1.621 13.568 -11.909 767 HB VAL 95 HB VAL 95 -3.047 11.028 -11.128 768 HG11 VAL 95 HG11 VAL 95 -4.873 11.787 -12.668 769 HG12 VAL 95 HG12 VAL 95 -4.752 12.727 -11.161 770 HG13 VAL 95 HG13 VAL 95 -4.122 13.401 -12.684 771 HG21 VAL 95 HG21 VAL 95 -2.897 11.559 -13.953 772 HG22 VAL 95 HG22 VAL 95 -1.276 11.709 -13.233 773 HG23 VAL 95 HG23 VAL 95 -2.208 10.207 -13.023 774 H LEU 96 H LEU 96 -2.573 11.975 -8.795 775 HA LEU 96 HA LEU 96 -4.510 13.651 -7.957 776 HB2 LEU 96 HB2 LEU 96 -2.787 11.725 -6.827 777 HB3 LEU 96 HB3 LEU 96 -2.710 13.125 -5.776 778 HG LEU 96 HG LEU 96 -4.407 11.534 -5.037 779 HD11 LEU 96 HD11 LEU 96 -5.264 14.262 -5.954 780 HD12 LEU 96 HD12 LEU 96 -6.428 13.173 -5.162 781 HD13 LEU 96 HD13 LEU 96 -4.944 13.660 -4.310 782 HD21 LEU 96 HD21 LEU 96 -6.386 12.018 -7.113 783 HD22 LEU 96 HD22 LEU 96 -4.942 11.189 -7.743 784 HD23 LEU 96 HD23 LEU 96 -5.844 10.491 -6.376 785 H LEU 97 H LEU 97 -0.971 14.262 -7.998 786 HA LEU 97 HA LEU 97 -0.787 16.486 -6.479 787 HB2 LEU 97 HB2 LEU 97 0.600 15.446 -8.874 788 HB3 LEU 97 HB3 LEU 97 0.846 17.147 -8.531 789 HG LEU 97 HG LEU 97 1.263 15.029 -6.420 790 HD11 LEU 97 HD11 LEU 97 2.637 14.504 -8.432 791 HD12 LEU 97 HD12 LEU 97 3.400 16.104 -8.277 792 HD13 LEU 97 HD13 LEU 97 3.592 14.898 -6.982 793 HD21 LEU 97 HD21 LEU 97 1.428 16.893 -5.189 794 HD22 LEU 97 HD22 LEU 97 3.029 17.065 -5.947 795 HD23 LEU 97 HD23 LEU 97 1.630 17.939 -6.615 796 H LEU 98 H LEU 98 -1.817 16.354 -9.954 797 HA LEU 98 HA LEU 98 -2.355 19.137 -10.033 798 HB2 LEU 98 HB2 LEU 98 -1.968 17.153 -11.868 799 HB3 LEU 98 HB3 LEU 98 -3.703 17.379 -11.971 800 HG LEU 98 HG LEU 98 -2.833 19.974 -12.049 801 HD11 LEU 98 HD11 LEU 98 -0.744 18.291 -13.456 802 HD12 LEU 98 HD12 LEU 98 -0.975 20.039 -13.696 803 HD13 LEU 98 HD13 LEU 98 -0.492 19.416 -12.101 804 HD21 LEU 98 HD21 LEU 98 -4.472 19.341 -13.555 805 HD22 LEU 98 HD22 LEU 98 -3.074 19.638 -14.616 806 HD23 LEU 98 HD23 LEU 98 -3.522 17.971 -14.181 807 H LEU 99 H LEU 99 -4.357 16.157 -9.611 808 HA LEU 99 HA LEU 99 -6.843 17.177 -9.680 809 HB2 LEU 99 HB2 LEU 99 -5.889 14.813 -9.113 810 HB3 LEU 99 HB3 LEU 99 -6.069 15.332 -7.449 811 HG LEU 99 HG LEU 99 -8.529 15.968 -8.561 812 HD11 LEU 99 HD11 LEU 99 -8.180 14.842 -10.616 813 HD12 LEU 99 HD12 LEU 99 -7.490 13.415 -9.804 814 HD13 LEU 99 HD13 LEU 99 -9.222 13.786 -9.632 815 HD21 LEU 99 HD21 LEU 99 -8.813 15.063 -6.529 816 HD22 LEU 99 HD22 LEU 99 -8.992 13.533 -7.421 817 HD23 LEU 99 HD23 LEU 99 -7.422 13.967 -6.704 Start of MODEL 14 1 H MET 1 H1 MET 1 -9.181 -21.383 -12.707 2 HA MET 1 HA MET 1 -7.049 -21.259 -13.184 3 HB2 MET 1 HB2 MET 1 -7.321 -23.850 -13.597 4 HB3 MET 1 HB3 MET 1 -7.332 -23.445 -15.303 5 HG2 MET 1 HG2 MET 1 -5.059 -23.511 -15.227 6 HG3 MET 1 HG3 MET 1 -5.123 -22.011 -14.323 7 HE1 MET 1 HE1 MET 1 -3.814 -22.326 -11.388 8 HE2 MET 1 HE2 MET 1 -2.594 -23.220 -12.327 9 HE3 MET 1 HE3 MET 1 -3.516 -21.902 -13.091 10 H ASP 2 H ASP 2 -8.875 -22.109 -16.216 11 HA ASP 2 HA ASP 2 -7.467 -20.786 -18.026 12 HB2 ASP 2 HB2 ASP 2 -10.188 -21.674 -17.736 13 HB3 ASP 2 HB3 ASP 2 -10.247 -20.076 -18.452 14 H LEU 3 H LEU 3 -7.847 -18.561 -19.079 15 HA LEU 3 HA LEU 3 -8.992 -16.577 -17.299 16 HB2 LEU 3 HB2 LEU 3 -6.144 -17.040 -17.576 17 HB3 LEU 3 HB3 LEU 3 -6.577 -15.427 -18.107 18 HG LEU 3 HG LEU 3 -7.349 -16.584 -15.416 19 HD11 LEU 3 HD11 LEU 3 -5.204 -16.346 -14.857 20 HD12 LEU 3 HD12 LEU 3 -4.821 -15.458 -16.352 21 HD13 LEU 3 HD13 LEU 3 -5.492 -14.592 -14.950 22 HD21 LEU 3 HD21 LEU 3 -8.868 -14.885 -15.802 23 HD22 LEU 3 HD22 LEU 3 -7.558 -14.031 -14.951 24 HD23 LEU 3 HD23 LEU 3 -7.703 -13.902 -16.721 25 H ILE 4 H ILE 4 -10.468 -17.087 -19.291 26 HA ILE 4 HA ILE 4 -9.747 -15.106 -21.318 27 HB ILE 4 HB ILE 4 -10.710 -17.919 -21.823 28 HG12 ILE 4 HG12 ILE 4 -8.250 -17.526 -21.481 29 HG13 ILE 4 HG13 ILE 4 -8.690 -18.235 -23.022 30 HG21 ILE 4 HG21 ILE 4 -11.907 -16.083 -23.149 31 HG22 ILE 4 HG22 ILE 4 -10.341 -15.814 -23.950 32 HG23 ILE 4 HG23 ILE 4 -11.139 -17.401 -24.066 33 HD11 ILE 4 HD11 ILE 4 -8.605 -15.246 -22.961 34 HD12 ILE 4 HD12 ILE 4 -7.042 -16.081 -22.790 35 HD13 ILE 4 HD13 ILE 4 -8.056 -16.375 -24.223 36 H GLY 5 H GLY 5 -12.442 -17.387 -20.435 37 HA2 GLY 5 HA2 GLY 5 -14.568 -15.907 -21.243 38 HA3 GLY 5 HA3 GLY 5 -14.575 -16.954 -19.838 39 H PHE 6 H PHE 6 -15.198 -13.834 -20.857 40 HA PHE 6 HA PHE 6 -14.091 -12.358 -18.709 41 HB2 PHE 6 HB2 PHE 6 -15.604 -10.599 -19.661 42 HB3 PHE 6 HB3 PHE 6 -14.778 -11.442 -20.956 43 HD1 PHE 6 HD2 PHE 6 -17.996 -10.960 -19.270 44 HD2 PHE 6 HD1 PHE 6 -15.989 -12.869 -22.484 45 HE1 PHE 6 HE2 PHE 6 -20.207 -11.497 -20.331 46 HE2 PHE 6 HE1 PHE 6 -18.199 -13.406 -23.546 47 HZ PHE 6 HZ PHE 6 -20.281 -12.714 -22.457 48 H GLY 7 H GLY 7 -17.327 -13.814 -19.407 49 HA2 GLY 7 HA2 GLY 7 -18.943 -12.844 -17.525 50 HA3 GLY 7 HA3 GLY 7 -18.878 -14.551 -17.915 51 H TYR 8 H TYR 8 -16.629 -15.582 -16.865 52 HA TYR 8 HA TYR 8 -17.122 -15.883 -14.205 53 HB2 TYR 8 HB2 TYR 8 -15.429 -16.905 -16.083 54 HB3 TYR 8 HB3 TYR 8 -14.285 -15.817 -15.322 55 HD1 TYR 8 HD1 TYR 8 -16.491 -18.743 -14.722 56 HD2 TYR 8 HD2 TYR 8 -13.292 -16.337 -13.209 57 HE1 TYR 8 HE1 TYR 8 -16.027 -20.478 -12.922 58 HE2 TYR 8 HE2 TYR 8 -12.839 -18.081 -11.415 59 HH TYR 8 HH TYR 8 -13.998 -21.162 -11.565 60 H ALA 9 H ALA 9 -14.759 -13.603 -15.749 61 HA ALA 9 HA ALA 9 -13.706 -12.584 -13.403 62 HB1 ALA 9 HB1 ALA 9 -13.777 -10.485 -15.284 63 HB2 ALA 9 HB2 ALA 9 -12.467 -11.665 -15.039 64 HB3 ALA 9 HB3 ALA 9 -13.733 -11.980 -16.249 65 H ALA 10 H ALA 10 -16.737 -11.841 -15.161 66 HA ALA 10 HA ALA 10 -17.322 -9.522 -13.633 67 HB1 ALA 10 HB1 ALA 10 -18.255 -10.718 -15.956 68 HB2 ALA 10 HB2 ALA 10 -19.594 -10.975 -14.812 69 HB3 ALA 10 HB3 ALA 10 -19.001 -9.328 -15.134 70 H LEU 11 H LEU 11 -17.765 -13.020 -13.239 71 HA LEU 11 HA LEU 11 -19.801 -12.874 -11.301 72 HB2 LEU 11 HB2 LEU 11 -18.530 -14.839 -12.751 73 HB3 LEU 11 HB3 LEU 11 -17.958 -15.142 -11.122 74 HG LEU 11 HG LEU 11 -19.926 -16.479 -11.620 75 HD11 LEU 11 HD11 LEU 11 -21.471 -15.302 -9.751 76 HD12 LEU 11 HD12 LEU 11 -19.994 -16.222 -9.378 77 HD13 LEU 11 HD13 LEU 11 -19.937 -14.445 -9.464 78 HD21 LEU 11 HD21 LEU 11 -21.550 -13.944 -11.868 79 HD22 LEU 11 HD22 LEU 11 -20.873 -14.800 -13.274 80 HD23 LEU 11 HD23 LEU 11 -22.042 -15.620 -12.211 81 H VAL 12 H VAL 12 -16.223 -13.445 -10.968 82 HA VAL 12 HA VAL 12 -16.172 -13.329 -8.212 83 HB VAL 12 HB VAL 12 -14.120 -12.607 -10.307 84 HG11 VAL 12 HG11 VAL 12 -13.488 -11.484 -8.251 85 HG12 VAL 12 HG12 VAL 12 -13.747 -12.977 -7.316 86 HG13 VAL 12 HG13 VAL 12 -12.428 -12.890 -8.508 87 HG21 VAL 12 HG21 VAL 12 -14.033 -14.817 -10.603 88 HG22 VAL 12 HG22 VAL 12 -13.417 -14.961 -8.940 89 HG23 VAL 12 HG23 VAL 12 -15.163 -15.098 -9.257 90 H THR 13 H THR 13 -15.648 -10.672 -10.631 91 HA THR 13 HA THR 13 -15.216 -8.635 -8.812 92 HB THR 13 HB THR 13 -16.459 -8.731 -11.605 93 HG1 THR 13 HG1 THR 13 -13.895 -7.965 -10.392 94 HG21 THR 13 HG21 THR 13 -16.707 -6.458 -11.588 95 HG22 THR 13 HG22 THR 13 -16.508 -6.514 -9.820 96 HG23 THR 13 HG23 THR 13 -15.093 -6.248 -10.867 97 H PHE 14 H PHE 14 -18.340 -8.899 -10.606 98 HA PHE 14 HA PHE 14 -19.816 -7.316 -9.046 99 HB2 PHE 14 HB2 PHE 14 -20.598 -8.509 -11.091 100 HB3 PHE 14 HB3 PHE 14 -20.457 -10.058 -10.282 101 HD1 PHE 14 HD2 PHE 14 -22.353 -6.872 -10.252 102 HD2 PHE 14 HD1 PHE 14 -22.258 -10.941 -9.054 103 HE1 PHE 14 HE2 PHE 14 -24.753 -6.716 -9.535 104 HE2 PHE 14 HE1 PHE 14 -24.658 -10.786 -8.338 105 HZ PHE 14 HZ PHE 14 -25.877 -8.676 -8.587 106 H GLY 15 H GLY 15 -18.866 -10.703 -8.312 107 HA2 GLY 15 HA2 GLY 15 -20.572 -11.077 -6.100 108 HA3 GLY 15 HA3 GLY 15 -19.101 -11.958 -6.461 109 H SER 16 H SER 16 -17.020 -11.144 -5.686 110 HA SER 16 HA SER 16 -16.915 -10.440 -3.151 111 HB2 SER 16 HB2 SER 16 -14.946 -11.032 -4.534 112 HB3 SER 16 HB3 SER 16 -15.010 -9.471 -5.329 113 HG SER 16 HG SER 16 -14.435 -10.006 -2.545 114 H ILE 17 H ILE 17 -16.975 -8.100 -5.925 115 HA ILE 17 HA ILE 17 -16.729 -5.763 -4.544 116 HB ILE 17 HB ILE 17 -18.303 -6.482 -7.007 117 HG12 ILE 17 HG12 ILE 17 -15.943 -6.757 -7.288 118 HG13 ILE 17 HG13 ILE 17 -16.424 -5.298 -8.132 119 HG21 ILE 17 HG21 ILE 17 -19.342 -4.524 -6.966 120 HG22 ILE 17 HG22 ILE 17 -18.530 -4.083 -5.444 121 HG23 ILE 17 HG23 ILE 17 -17.759 -3.710 -7.004 122 HD11 ILE 17 HD11 ILE 17 -15.839 -4.273 -5.642 123 HD12 ILE 17 HD12 ILE 17 -14.678 -5.617 -5.749 124 HD13 ILE 17 HD13 ILE 17 -14.683 -4.345 -6.994 125 H PHE 18 H PHE 18 -19.813 -7.534 -5.288 126 HA PHE 18 HA PHE 18 -21.471 -5.795 -3.919 127 HB2 PHE 18 HB2 PHE 18 -22.214 -7.589 -5.478 128 HB3 PHE 18 HB3 PHE 18 -21.510 -8.823 -4.452 129 HD1 PHE 18 HD1 PHE 18 -24.214 -6.298 -4.625 130 HD2 PHE 18 HD2 PHE 18 -22.744 -9.771 -2.678 131 HE1 PHE 18 HE1 PHE 18 -26.408 -6.561 -3.436 132 HE2 PHE 18 HE2 PHE 18 -24.938 -10.033 -1.488 133 HZ PHE 18 HZ PHE 18 -26.744 -8.425 -1.882 134 H GLY 19 H GLY 19 -19.326 -8.381 -2.758 135 HA2 GLY 19 HA2 GLY 19 -20.554 -8.597 -0.171 136 HA3 GLY 19 HA3 GLY 19 -19.031 -9.286 -0.699 137 H TYR 20 H TYR 20 -18.160 -6.501 -1.730 138 HA TYR 20 HA TYR 20 -16.643 -5.071 -0.877 139 HB2 TYR 20 HB2 TYR 20 -19.345 -4.421 -0.461 140 HB3 TYR 20 HB3 TYR 20 -18.694 -4.215 1.153 141 HD1 TYR 20 HD2 TYR 20 -17.492 -3.378 -2.313 142 HD2 TYR 20 HD1 TYR 20 -18.255 -2.004 1.667 143 HE1 TYR 20 HE2 TYR 20 -16.647 -1.064 -2.942 144 HE2 TYR 20 HE1 TYR 20 -17.408 0.305 1.024 145 HH TYR 20 HH TYR 20 -16.247 1.433 -0.504 146 H LYS 21 H LYS 21 -16.536 -7.680 0.495 147 HA LYS 21 HA LYS 21 -14.891 -6.951 2.624 148 HB2 LYS 21 HB2 LYS 21 -16.132 -7.469 4.561 149 HB3 LYS 21 HB3 LYS 21 -17.137 -6.372 3.636 150 HG2 LYS 21 HG2 LYS 21 -17.995 -8.762 2.605 151 HG3 LYS 21 HG3 LYS 21 -17.533 -9.283 4.213 152 HD2 LYS 21 HD2 LYS 21 -18.897 -7.112 4.973 153 HD3 LYS 21 HD3 LYS 21 -19.655 -7.287 3.403 154 HE2 LYS 21 HE2 LYS 21 -20.894 -9.069 4.096 155 HE3 LYS 21 HE3 LYS 21 -19.489 -9.881 4.759 156 HZ1 LYS 21 HZ1 LYS 21 -21.446 -8.343 6.094 157 HZ2 LYS 21 HZ2 LYS 21 -20.350 -9.384 6.713 158 HZ3 LYS 21 HZ3 LYS 21 -19.941 -7.823 6.459 159 H ARG 22 H ARG 22 -14.811 -9.218 4.157 160 HA ARG 22 HA ARG 22 -14.141 -11.271 4.174 161 HB2 ARG 22 HB2 ARG 22 -16.138 -11.449 1.893 162 HB3 ARG 22 HB3 ARG 22 -15.177 -12.854 2.308 163 HG2 ARG 22 HG2 ARG 22 -16.585 -11.384 4.538 164 HG3 ARG 22 HG3 ARG 22 -17.548 -12.390 3.475 165 HD2 ARG 22 HD2 ARG 22 -15.117 -13.813 4.254 166 HD3 ARG 22 HD3 ARG 22 -15.957 -13.241 5.682 167 HE ARG 22 HE ARG 22 -17.910 -14.366 3.944 168 HH11 ARG 22 HH22 ARG 22 -15.145 -15.410 5.854 169 HH12 ARG 22 HH21 ARG 22 -15.759 -17.011 6.102 170 HH21 ARG 22 HH12 ARG 22 -18.721 -16.477 4.272 171 HH22 ARG 22 HH11 ARG 22 -17.807 -17.622 5.196 172 H ARG 23 H ARG 23 -12.259 -9.627 3.141 173 HA ARG 23 HA ARG 23 -10.549 -9.406 1.828 174 HB2 ARG 23 HB2 ARG 23 -10.894 -12.423 1.882 175 HB3 ARG 23 HB3 ARG 23 -9.599 -11.723 0.931 176 HG2 ARG 23 HG2 ARG 23 -9.698 -10.494 3.588 177 HG3 ARG 23 HG3 ARG 23 -9.586 -12.237 3.723 178 HD2 ARG 23 HD2 ARG 23 -7.604 -12.243 2.206 179 HD3 ARG 23 HD3 ARG 23 -7.727 -10.504 2.022 180 HE ARG 23 HE ARG 23 -6.842 -10.210 4.190 181 HH11 ARG 23 HH22 ARG 23 -7.627 -13.598 3.650 182 HH12 ARG 23 HH21 ARG 23 -6.811 -14.146 5.076 183 HH21 ARG 23 HH12 ARG 23 -5.764 -10.934 6.071 184 HH22 ARG 23 HH11 ARG 23 -5.744 -12.621 6.462 185 H GLY 24 H GLY 24 -9.547 -10.362 -0.527 186 HA2 GLY 24 HA2 GLY 24 -11.648 -10.838 -2.459 187 HA3 GLY 24 HA3 GLY 24 -10.943 -9.236 -2.536 188 H GLY 25 H GLY 25 -9.725 -12.633 -2.027 189 HA2 GLY 25 HA2 GLY 25 -8.219 -13.819 -3.237 190 HA3 GLY 25 HA3 GLY 25 -8.157 -12.535 -4.429 191 H VAL 26 H VAL 26 -7.264 -10.303 -3.167 192 HA VAL 26 HA VAL 26 -4.575 -10.609 -2.993 193 HB VAL 26 HB VAL 26 -4.598 -8.446 -1.792 194 HG11 VAL 26 HG11 VAL 26 -6.179 -8.964 -4.275 195 HG12 VAL 26 HG12 VAL 26 -6.235 -7.328 -3.577 196 HG13 VAL 26 HG13 VAL 26 -4.674 -8.043 -4.045 197 HG21 VAL 26 HG21 VAL 26 -6.303 -7.902 -0.464 198 HG22 VAL 26 HG22 VAL 26 -7.358 -7.789 -1.893 199 HG23 VAL 26 HG23 VAL 26 -7.219 -9.327 -1.008 200 HA PRO 27 HA PRO 27 -3.722 -12.382 0.853 201 HB2 PRO 27 HB2 PRO 27 -1.242 -11.382 1.419 202 HB3 PRO 27 HB3 PRO 27 -1.509 -12.709 0.306 203 HG2 PRO 27 HG2 PRO 27 -0.848 -9.891 -0.295 204 HG3 PRO 27 HG3 PRO 27 -0.702 -11.298 -1.330 205 HD2 PRO 27 HD2 PRO 27 -2.745 -9.287 -1.446 206 HD3 PRO 27 HD3 PRO 27 -2.662 -10.753 -2.402 207 H SER 28 H SER 28 -2.303 -9.167 1.225 208 HA SER 28 HA SER 28 -4.209 -8.773 3.379 209 HB2 SER 28 HB2 SER 28 -2.575 -8.189 4.973 210 HB3 SER 28 HB3 SER 28 -1.869 -9.583 4.179 211 HG SER 28 HG SER 28 -1.228 -6.795 3.783 212 H LEU 29 H LEU 29 -3.539 -7.825 0.458 213 HA LEU 29 HA LEU 29 -2.570 -5.324 0.309 214 HB2 LEU 29 HB2 LEU 29 -3.372 -6.666 -1.568 215 HB3 LEU 29 HB3 LEU 29 -5.031 -6.409 -1.066 216 HG LEU 29 HG LEU 29 -3.688 -3.865 -1.393 217 HD11 LEU 29 HD11 LEU 29 -3.632 -4.178 -3.994 218 HD12 LEU 29 HD12 LEU 29 -2.226 -4.624 -2.998 219 HD13 LEU 29 HD13 LEU 29 -3.339 -5.885 -3.580 220 HD21 LEU 29 HD21 LEU 29 -5.691 -3.251 -2.201 221 HD22 LEU 29 HD22 LEU 29 -5.800 -4.651 -3.294 222 HD23 LEU 29 HD23 LEU 29 -6.227 -4.829 -1.576 223 H ILE 30 H ILE 30 -5.977 -6.188 1.216 224 HA ILE 30 HA ILE 30 -6.946 -3.672 1.592 225 HB ILE 30 HB ILE 30 -7.494 -6.281 2.981 226 HG12 ILE 30 HG12 ILE 30 -9.252 -4.716 1.085 227 HG13 ILE 30 HG13 ILE 30 -8.037 -5.841 0.512 228 HG21 ILE 30 HG21 ILE 30 -9.706 -4.676 3.447 229 HG22 ILE 30 HG22 ILE 30 -8.490 -5.184 4.643 230 HG23 ILE 30 HG23 ILE 30 -8.326 -3.616 3.818 231 HD11 ILE 30 HD11 ILE 30 -10.672 -6.435 1.455 232 HD12 ILE 30 HD12 ILE 30 -9.423 -7.582 0.914 233 HD13 ILE 30 HD13 ILE 30 -9.527 -7.125 2.631 234 H ALA 31 H ALA 31 -5.125 -5.710 3.972 235 HA ALA 31 HA ALA 31 -5.209 -3.947 6.086 236 HB1 ALA 31 HB1 ALA 31 -3.765 -6.329 5.275 237 HB2 ALA 31 HB2 ALA 31 -2.674 -5.202 6.115 238 HB3 ALA 31 HB3 ALA 31 -4.165 -5.758 6.912 239 H GLY 32 H GLY 32 -3.044 -4.055 3.213 240 HA2 GLY 32 HA2 GLY 32 -1.257 -2.049 4.089 241 HA3 GLY 32 HA3 GLY 32 -1.508 -2.601 2.445 242 H LEU 33 H LEU 33 -4.470 -2.005 2.524 243 HA LEU 33 HA LEU 33 -4.279 0.670 1.618 244 HB2 LEU 33 HB2 LEU 33 -5.834 -1.306 0.919 245 HB3 LEU 33 HB3 LEU 33 -6.858 -0.733 2.221 246 HG LEU 33 HG LEU 33 -5.981 1.401 0.396 247 HD11 LEU 33 HD11 LEU 33 -8.008 0.341 -1.138 248 HD12 LEU 33 HD12 LEU 33 -6.270 0.296 -1.521 249 HD13 LEU 33 HD13 LEU 33 -7.040 -1.092 -0.714 250 HD21 LEU 33 HD21 LEU 33 -8.847 0.800 0.800 251 HD22 LEU 33 HD22 LEU 33 -7.910 1.131 2.278 252 HD23 LEU 33 HD23 LEU 33 -7.952 2.330 0.962 253 H PHE 34 H PHE 34 -6.081 -0.840 4.395 254 HA PHE 34 HA PHE 34 -6.966 1.474 5.536 255 HB2 PHE 34 HB2 PHE 34 -6.367 -1.343 6.251 256 HB3 PHE 34 HB3 PHE 34 -6.168 -0.289 7.637 257 HD1 PHE 34 HD1 PHE 34 -8.621 -0.881 4.879 258 HD2 PHE 34 HD2 PHE 34 -8.011 0.075 8.968 259 HE1 PHE 34 HE1 PHE 34 -11.102 -0.907 5.255 260 HE2 PHE 34 HE2 PHE 34 -10.493 0.049 9.344 261 HZ PHE 34 HZ PHE 34 -12.009 -0.442 7.483 262 H VAL 35 H VAL 35 -3.865 -0.282 6.263 263 HA VAL 35 HA VAL 35 -2.959 1.576 8.133 264 HB VAL 35 HB VAL 35 -0.785 0.520 7.776 265 HG11 VAL 35 HG11 VAL 35 -3.287 -1.007 8.203 266 HG12 VAL 35 HG12 VAL 35 -1.843 -1.985 7.848 267 HG13 VAL 35 HG13 VAL 35 -1.839 -0.860 9.227 268 HG21 VAL 35 HG21 VAL 35 -0.889 -1.489 6.062 269 HG22 VAL 35 HG22 VAL 35 -2.101 -0.458 5.264 270 HG23 VAL 35 HG23 VAL 35 -0.449 0.150 5.526 271 H GLY 36 H GLY 36 -2.800 1.448 4.562 272 HA2 GLY 36 HA2 GLY 36 -0.853 3.398 4.132 273 HA3 GLY 36 HA3 GLY 36 -2.159 2.975 3.043 274 H CYS 37 H CYS 37 -4.395 3.930 3.579 275 HA CYS 37 HA CYS 37 -4.293 6.638 3.557 276 HB2 CYS 37 HB2 CYS 37 -6.705 6.598 4.082 277 HB3 CYS 37 HB3 CYS 37 -6.268 5.413 2.867 278 HG CYS 37 HG CYS 37 -5.782 3.543 4.895 279 H LEU 38 H LEU 38 -4.150 4.372 6.285 280 HA LEU 38 HA LEU 38 -4.884 6.097 8.339 281 HB2 LEU 38 HB2 LEU 38 -3.545 3.511 8.031 282 HB3 LEU 38 HB3 LEU 38 -3.008 4.408 9.437 283 HG LEU 38 HG LEU 38 -5.950 4.059 8.919 284 HD11 LEU 38 HD11 LEU 38 -5.345 1.816 8.763 285 HD12 LEU 38 HD12 LEU 38 -4.036 1.980 9.957 286 HD13 LEU 38 HD13 LEU 38 -5.734 2.022 10.488 287 HD21 LEU 38 HD21 LEU 38 -6.147 5.083 10.874 288 HD22 LEU 38 HD22 LEU 38 -5.144 3.840 11.659 289 HD23 LEU 38 HD23 LEU 38 -4.378 5.276 10.937 290 H ALA 39 H ALA 39 -1.536 5.196 7.233 291 HA ALA 39 HA ALA 39 -0.289 7.162 8.782 292 HB1 ALA 39 HB1 ALA 39 0.442 5.028 7.120 293 HB2 ALA 39 HB2 ALA 39 1.126 6.464 6.321 294 HB3 ALA 39 HB3 ALA 39 1.545 6.102 8.013 295 H GLY 40 H GLY 40 -1.224 7.088 5.274 296 HA2 GLY 40 HA2 GLY 40 -0.304 9.619 4.592 297 HA3 GLY 40 HA3 GLY 40 -1.612 8.750 3.814 298 H TYR 41 H TYR 41 -3.835 8.925 4.757 299 HA TYR 41 HA TYR 41 -4.656 11.488 5.102 300 HB2 TYR 41 HB2 TYR 41 -5.761 8.985 4.932 301 HB3 TYR 41 HB3 TYR 41 -5.947 9.214 6.659 302 HD1 TYR 41 HD1 TYR 41 -7.443 10.972 7.544 303 HD2 TYR 41 HD2 TYR 41 -7.095 10.247 3.342 304 HE1 TYR 41 HE1 TYR 41 -9.580 12.288 7.132 305 HE2 TYR 41 HE2 TYR 41 -9.232 11.565 2.944 306 HH TYR 41 HH TYR 41 -10.547 13.206 3.962 307 H GLY 42 H GLY 42 -4.117 9.068 7.766 308 HA2 GLY 42 HA2 GLY 42 -4.726 10.615 9.928 309 HA3 GLY 42 HA3 GLY 42 -3.489 9.374 9.908 310 H ALA 43 H ALA 43 -1.469 10.335 8.322 311 HA ALA 43 HA ALA 43 -0.137 12.092 9.971 312 HB1 ALA 43 HB1 ALA 43 1.404 12.334 7.991 313 HB2 ALA 43 HB2 ALA 43 1.011 10.648 8.404 314 HB3 ALA 43 HB3 ALA 43 0.213 11.435 7.021 315 H TYR 44 H TYR 44 -2.293 12.687 7.170 316 HA TYR 44 HA TYR 44 -1.677 15.470 7.044 317 HB2 TYR 44 HB2 TYR 44 -2.570 14.617 5.027 318 HB3 TYR 44 HB3 TYR 44 -3.496 13.384 5.859 319 HD1 TYR 44 HD2 TYR 44 -5.661 14.097 7.052 320 HD2 TYR 44 HD1 TYR 44 -3.609 16.588 4.244 321 HE1 TYR 44 HE2 TYR 44 -7.776 15.466 6.710 322 HE2 TYR 44 HE1 TYR 44 -5.732 17.949 3.911 323 HH TYR 44 HH TYR 44 -8.220 17.486 4.152 324 H ARG 45 H ARG 45 -3.933 13.422 8.859 325 HA ARG 45 HA ARG 45 -5.597 15.638 9.515 326 HB2 ARG 45 HB2 ARG 45 -5.610 12.704 9.899 327 HB3 ARG 45 HB3 ARG 45 -6.183 13.557 11.318 328 HG2 ARG 45 HG2 ARG 45 -7.232 14.025 8.487 329 HG3 ARG 45 HG3 ARG 45 -8.015 13.001 9.674 330 HD2 ARG 45 HD2 ARG 45 -7.359 15.859 10.427 331 HD3 ARG 45 HD3 ARG 45 -8.741 15.555 9.394 332 HE ARG 45 HE ARG 45 -9.842 14.441 11.184 333 HH11 ARG 45 HH22 ARG 45 -6.547 15.309 12.065 334 HH12 ARG 45 HH21 ARG 45 -6.785 15.011 13.754 335 HH21 ARG 45 HH12 ARG 45 -10.156 14.048 13.413 336 HH22 ARG 45 HH11 ARG 45 -8.851 14.289 14.526 337 H VAL 46 H VAL 46 -3.320 13.410 11.277 338 HA VAL 46 HA VAL 46 -3.474 14.751 13.724 339 HB VAL 46 HB VAL 46 -2.642 12.426 13.230 340 HG11 VAL 46 HG11 VAL 46 -1.037 13.391 11.395 341 HG12 VAL 46 HG12 VAL 46 0.074 13.633 12.764 342 HG13 VAL 46 HG13 VAL 46 -0.526 12.001 12.383 343 HG21 VAL 46 HG21 VAL 46 -0.453 13.550 14.834 344 HG22 VAL 46 HG22 VAL 46 -2.060 14.160 15.297 345 HG23 VAL 46 HG23 VAL 46 -1.742 12.409 15.288 346 H SER 47 H SER 47 -1.875 15.508 10.698 347 HA SER 47 HA SER 47 -1.138 18.021 11.688 348 HB2 SER 47 HB2 SER 47 0.858 15.902 11.893 349 HB3 SER 47 HB3 SER 47 1.413 17.148 10.793 350 HG SER 47 HG SER 47 2.048 17.726 12.904 351 H ASN 48 H ASN 48 0.478 19.071 9.842 352 HA ASN 48 HA ASN 48 0.671 19.703 7.778 353 HB2 ASN 48 HB2 ASN 48 1.511 17.331 7.426 354 HB3 ASN 48 HB3 ASN 48 -0.118 16.846 6.997 355 HD21 ASN 48 HD21 ASN 48 2.262 19.383 6.225 356 HD22 ASN 48 HD22 ASN 48 2.016 19.402 4.511 357 H ASP 49 H ASP 49 -0.648 20.047 5.633 358 HA ASP 49 HA ASP 49 -3.483 19.688 6.214 359 HB2 ASP 49 HB2 ASP 49 -1.928 22.097 5.278 360 HB3 ASP 49 HB3 ASP 49 -3.547 21.884 4.642 361 H LYS 50 H LYS 50 -0.971 20.425 3.680 362 HA LYS 50 HA LYS 50 -2.320 18.546 1.907 363 HB2 LYS 50 HB2 LYS 50 -1.912 21.474 1.388 364 HB3 LYS 50 HB3 LYS 50 -1.787 20.347 0.053 365 HG2 LYS 50 HG2 LYS 50 -4.063 19.376 0.937 366 HG3 LYS 50 HG3 LYS 50 -4.181 20.866 1.850 367 HD2 LYS 50 HD2 LYS 50 -3.548 21.919 -0.577 368 HD3 LYS 50 HD3 LYS 50 -4.314 20.440 -1.121 369 HE2 LYS 50 HE2 LYS 50 -6.393 20.982 -0.040 370 HE3 LYS 50 HE3 LYS 50 -5.653 22.223 0.951 371 HZ1 LYS 50 HZ1 LYS 50 -5.587 22.465 -1.954 372 HZ2 LYS 50 HZ2 LYS 50 -6.932 22.893 -1.133 373 HZ3 LYS 50 HZ3 LYS 50 -5.514 23.642 -0.825 374 H ARG 51 H ARG 51 -0.887 17.736 0.189 375 HA ARG 51 HA ARG 51 1.035 17.203 -0.697 376 HB2 ARG 51 HB2 ARG 51 1.709 19.708 0.311 377 HB3 ARG 51 HB3 ARG 51 2.874 18.681 1.123 378 HG2 ARG 51 HG2 ARG 51 3.628 17.752 -1.041 379 HG3 ARG 51 HG3 ARG 51 2.391 18.655 -1.893 380 HD2 ARG 51 HD2 ARG 51 3.426 20.804 -1.100 381 HD3 ARG 51 HD3 ARG 51 4.673 19.890 -0.275 382 HE ARG 51 HE ARG 51 4.664 18.987 -2.958 383 HH11 ARG 51 HH22 ARG 51 5.298 21.977 -1.214 384 HH12 ARG 51 HH21 ARG 51 6.421 22.574 -2.390 385 HH21 ARG 51 HH12 ARG 51 6.145 19.774 -4.510 386 HH22 ARG 51 HH11 ARG 51 6.906 21.313 -4.277 387 H ASP 52 H ASP 52 2.296 15.346 -0.288 388 HA ASP 52 HA ASP 52 3.643 14.715 1.925 389 HB2 ASP 52 HB2 ASP 52 1.973 13.003 2.992 390 HB3 ASP 52 HB3 ASP 52 1.837 14.693 3.434 391 H VAL 53 H VAL 53 4.913 13.497 0.456 392 HA VAL 53 HA VAL 53 3.545 11.227 -0.817 393 HB VAL 53 HB VAL 53 5.611 13.151 -1.820 394 HG11 VAL 53 HG11 VAL 53 5.244 10.293 -2.773 395 HG12 VAL 53 HG12 VAL 53 6.093 11.559 -3.691 396 HG13 VAL 53 HG13 VAL 53 6.723 11.032 -2.112 397 HG21 VAL 53 HG21 VAL 53 3.840 12.174 -3.828 398 HG22 VAL 53 HG22 VAL 53 2.869 12.542 -2.383 399 HG23 VAL 53 HG23 VAL 53 3.906 13.797 -3.102 400 H LYS 54 H LYS 54 6.713 12.479 0.441 401 HA LYS 54 HA LYS 54 8.152 10.211 0.501 402 HB2 LYS 54 HB2 LYS 54 9.200 11.175 2.607 403 HB3 LYS 54 HB3 LYS 54 9.181 12.206 1.191 404 HG2 LYS 54 HG2 LYS 54 8.158 13.785 2.460 405 HG3 LYS 54 HG3 LYS 54 6.728 12.772 2.450 406 HD2 LYS 54 HD2 LYS 54 7.615 11.563 4.485 407 HD3 LYS 54 HD3 LYS 54 8.978 12.664 4.514 408 HE2 LYS 54 HE2 LYS 54 6.641 14.304 4.332 409 HE3 LYS 54 HE3 LYS 54 6.278 13.076 5.528 410 HZ1 LYS 54 HZ1 LYS 54 8.901 14.121 5.808 411 HZ2 LYS 54 HZ2 LYS 54 7.761 15.281 5.946 412 HZ3 LYS 54 HZ3 LYS 54 7.718 13.974 6.924 413 H VAL 55 H VAL 55 5.514 11.146 2.765 414 HA VAL 55 HA VAL 55 5.752 9.315 4.711 415 HB VAL 55 HB VAL 55 4.005 11.021 4.520 416 HG11 VAL 55 HG11 VAL 55 3.490 10.538 2.090 417 HG12 VAL 55 HG12 VAL 55 2.547 9.135 2.647 418 HG13 VAL 55 HG13 VAL 55 2.073 10.779 3.139 419 HG21 VAL 55 HG21 VAL 55 3.418 9.632 6.238 420 HG22 VAL 55 HG22 VAL 55 2.032 9.335 5.162 421 HG23 VAL 55 HG23 VAL 55 3.387 8.182 5.207 422 H SER 56 H SER 56 4.189 8.726 1.485 423 HA SER 56 HA SER 56 3.468 6.165 1.843 424 HB2 SER 56 HB2 SER 56 4.413 7.748 -0.532 425 HB3 SER 56 HB3 SER 56 4.234 6.017 -0.740 426 HG SER 56 HG SER 56 2.194 7.876 0.141 427 H LEU 57 H LEU 57 6.711 7.391 0.767 428 HA LEU 57 HA LEU 57 7.911 4.925 0.405 429 HB2 LEU 57 HB2 LEU 57 8.619 7.620 0.277 430 HB3 LEU 57 HB3 LEU 57 9.707 6.941 1.472 431 HG LEU 57 HG LEU 57 9.696 5.104 -0.672 432 HD11 LEU 57 HD11 LEU 57 8.649 7.049 -1.947 433 HD12 LEU 57 HD12 LEU 57 10.220 7.868 -1.769 434 HD13 LEU 57 HD13 LEU 57 10.117 6.319 -2.640 435 HD21 LEU 57 HD21 LEU 57 11.624 7.039 0.544 436 HD22 LEU 57 HD22 LEU 57 11.677 5.262 0.462 437 HD23 LEU 57 HD23 LEU 57 12.062 6.232 -0.980 438 H PHE 58 H PHE 58 7.373 6.882 3.366 439 HA PHE 58 HA PHE 58 8.992 5.268 5.014 440 HB2 PHE 58 HB2 PHE 58 7.617 7.690 5.131 441 HB3 PHE 58 HB3 PHE 58 6.557 6.678 6.092 442 HD1 PHE 58 HD1 PHE 58 7.868 5.189 7.899 443 HD2 PHE 58 HD2 PHE 58 9.280 8.831 6.242 444 HE1 PHE 58 HE1 PHE 58 9.358 5.518 9.892 445 HE2 PHE 58 HE2 PHE 58 10.770 9.161 8.234 446 HZ PHE 58 HZ PHE 58 10.791 7.500 10.036 447 H THR 59 H THR 59 5.697 4.992 3.765 448 HA THR 59 HA THR 59 4.809 3.170 5.786 449 HB THR 59 HB THR 59 3.796 4.132 3.072 450 HG1 THR 59 HG1 THR 59 3.615 5.533 4.947 451 HG21 THR 59 HG21 THR 59 1.662 2.985 3.614 452 HG22 THR 59 HG22 THR 59 2.963 1.783 3.445 453 HG23 THR 59 HG23 THR 59 2.402 2.265 5.064 454 H ALA 60 H ALA 60 5.994 2.842 2.384 455 HA ALA 60 HA ALA 60 5.711 0.061 2.307 456 HB1 ALA 60 HB1 ALA 60 7.512 0.369 0.455 457 HB2 ALA 60 HB2 ALA 60 5.940 1.176 0.245 458 HB3 ALA 60 HB3 ALA 60 7.352 2.108 0.798 459 H PHE 61 H PHE 61 8.393 2.230 3.354 460 HA PHE 61 HA PHE 61 10.302 0.233 3.689 461 HB2 PHE 61 HB2 PHE 61 10.182 2.957 3.839 462 HB3 PHE 61 HB3 PHE 61 10.043 2.621 5.553 463 HD1 PHE 61 HD1 PHE 61 12.166 1.555 2.664 464 HD2 PHE 61 HD2 PHE 61 11.994 2.612 6.771 465 HE1 PHE 61 HE1 PHE 61 14.662 1.339 2.825 466 HE2 PHE 61 HE2 PHE 61 14.489 2.396 6.931 467 HZ PHE 61 HZ PHE 61 15.793 1.762 4.956 468 H PHE 62 H PHE 62 8.058 1.768 6.104 469 HA PHE 62 HA PHE 62 8.881 0.255 8.268 470 HB2 PHE 62 HB2 PHE 62 7.246 2.339 7.906 471 HB3 PHE 62 HB3 PHE 62 6.002 1.122 7.700 472 HD1 PHE 62 HD2 PHE 62 8.325 2.658 10.084 473 HD2 PHE 62 HD1 PHE 62 5.202 -0.170 9.577 474 HE1 PHE 62 HE2 PHE 62 8.029 2.538 12.574 475 HE2 PHE 62 HE1 PHE 62 4.906 -0.290 12.067 476 HZ PHE 62 HZ PHE 62 6.323 1.065 13.535 477 H LEU 63 H LEU 63 6.259 -0.346 5.844 478 HA LEU 63 HA LEU 63 5.236 -2.629 7.051 479 HB2 LEU 63 HB2 LEU 63 4.595 -1.087 4.924 480 HB3 LEU 63 HB3 LEU 63 5.242 -2.490 4.098 481 HG LEU 63 HG LEU 63 2.883 -2.764 4.269 482 HD11 LEU 63 HD11 LEU 63 2.697 -4.829 5.692 483 HD12 LEU 63 HD12 LEU 63 4.038 -4.829 4.521 484 HD13 LEU 63 HD13 LEU 63 4.360 -4.517 6.244 485 HD21 LEU 63 HD21 LEU 63 1.637 -2.708 6.357 486 HD22 LEU 63 HD22 LEU 63 3.127 -2.346 7.262 487 HD23 LEU 63 HD23 LEU 63 2.485 -1.165 6.095 488 H ALA 64 H ALA 64 7.661 -2.339 4.357 489 HA ALA 64 HA ALA 64 8.212 -5.000 4.071 490 HB1 ALA 64 HB1 ALA 64 9.022 -2.955 2.738 491 HB2 ALA 64 HB2 ALA 64 10.314 -2.816 3.954 492 HB3 ALA 64 HB3 ALA 64 10.186 -4.284 2.956 493 H THR 65 H THR 65 9.880 -2.624 6.261 494 HA THR 65 HA THR 65 11.597 -4.462 7.443 495 HB THR 65 HB THR 65 11.505 -2.651 9.326 496 HG1 THR 65 HG1 THR 65 9.563 -1.591 9.029 497 HG21 THR 65 HG21 THR 65 13.075 -2.541 7.286 498 HG22 THR 65 HG22 THR 65 11.825 -1.556 6.488 499 HG23 THR 65 HG23 THR 65 12.614 -0.963 7.969 500 H ILE 66 H ILE 66 8.142 -3.877 7.948 501 HA ILE 66 HA ILE 66 8.092 -5.276 10.440 502 HB ILE 66 HB ILE 66 6.096 -4.053 8.588 503 HG12 ILE 66 HG12 ILE 66 7.306 -2.755 10.360 504 HG13 ILE 66 HG13 ILE 66 5.558 -2.696 10.463 505 HG21 ILE 66 HG21 ILE 66 5.529 -6.202 10.609 506 HG22 ILE 66 HG22 ILE 66 4.348 -4.903 10.316 507 HG23 ILE 66 HG23 ILE 66 4.854 -5.964 8.979 508 HD11 ILE 66 HD11 ILE 66 6.398 -4.978 11.984 509 HD12 ILE 66 HD12 ILE 66 7.439 -3.612 12.449 510 HD13 ILE 66 HD13 ILE 66 5.670 -3.469 12.585 511 H MET 67 H MET 67 7.842 -6.064 6.991 512 HA MET 67 HA MET 67 6.826 -8.680 7.592 513 HB2 MET 67 HB2 MET 67 6.631 -6.969 5.419 514 HB3 MET 67 HB3 MET 67 7.909 -8.033 4.867 515 HG2 MET 67 HG2 MET 67 6.477 -10.017 5.236 516 HG3 MET 67 HG3 MET 67 5.216 -9.016 5.928 517 HE1 MET 67 HE1 MET 67 4.302 -10.716 4.311 518 HE2 MET 67 HE2 MET 67 3.314 -9.841 3.117 519 HE3 MET 67 HE3 MET 67 4.719 -10.794 2.583 520 H GLY 68 H GLY 68 9.748 -7.368 5.852 521 HA2 GLY 68 HA2 GLY 68 11.919 -8.120 6.682 522 HA3 GLY 68 HA3 GLY 68 11.238 -9.726 6.845 523 H VAL 69 H VAL 69 11.913 -7.125 4.421 524 HA VAL 69 HA VAL 69 12.957 -9.063 2.608 525 HB VAL 69 HB VAL 69 10.369 -9.104 2.419 526 HG11 VAL 69 HG11 VAL 69 10.859 -6.712 0.635 527 HG12 VAL 69 HG12 VAL 69 9.310 -7.435 1.133 528 HG13 VAL 69 HG13 VAL 69 10.296 -6.541 2.315 529 HG21 VAL 69 HG21 VAL 69 11.081 -8.768 -0.312 530 HG22 VAL 69 HG22 VAL 69 12.509 -9.416 0.531 531 HG23 VAL 69 HG23 VAL 69 10.955 -10.280 0.619 532 H ARG 70 H ARG 70 14.758 -8.044 1.915 533 HA ARG 70 HA ARG 70 15.225 -5.395 2.311 534 HB2 ARG 70 HB2 ARG 70 17.010 -5.803 0.391 535 HB3 ARG 70 HB3 ARG 70 17.158 -6.672 1.906 536 HG2 ARG 70 HG2 ARG 70 16.342 -8.697 0.984 537 HG3 ARG 70 HG3 ARG 70 15.526 -7.887 -0.338 538 HD2 ARG 70 HD2 ARG 70 17.353 -8.557 -1.559 539 HD3 ARG 70 HD3 ARG 70 18.112 -7.138 -0.865 540 HE ARG 70 HE ARG 70 18.627 -9.939 -0.130 541 HH11 ARG 70 HH22 ARG 70 18.951 -6.570 0.833 542 HH12 ARG 70 HH21 ARG 70 20.258 -6.875 1.927 543 HH21 ARG 70 HH12 ARG 70 20.352 -10.342 1.313 544 HH22 ARG 70 HH11 ARG 70 21.061 -9.036 2.201 545 H PHE 71 H PHE 71 13.742 -7.104 -0.464 546 HA PHE 71 HA PHE 71 12.374 -4.894 -1.375 547 HB2 PHE 71 HB2 PHE 71 15.118 -4.732 -1.971 548 HB3 PHE 71 HB3 PHE 71 14.484 -5.488 -3.420 549 HD1 PHE 71 HD1 PHE 71 13.563 -2.656 -1.153 550 HD2 PHE 71 HD2 PHE 71 13.930 -4.069 -5.138 551 HE1 PHE 71 HE1 PHE 71 12.852 -0.409 -2.016 552 HE2 PHE 71 HE2 PHE 71 13.218 -1.821 -6.000 553 HZ PHE 71 HZ PHE 71 12.688 -0.018 -4.429 554 H LYS 72 H LYS 72 14.371 -7.409 -3.090 555 HA LYS 72 HA LYS 72 12.181 -9.149 -3.420 556 HB2 LYS 72 HB2 LYS 72 11.746 -8.886 -5.787 557 HB3 LYS 72 HB3 LYS 72 11.392 -7.391 -4.945 558 HG2 LYS 72 HG2 LYS 72 12.916 -6.254 -6.183 559 HG3 LYS 72 HG3 LYS 72 14.185 -7.385 -5.756 560 HD2 LYS 72 HD2 LYS 72 12.627 -8.846 -7.573 561 HD3 LYS 72 HD3 LYS 72 12.570 -7.221 -8.227 562 HE2 LYS 72 HE2 LYS 72 14.663 -7.492 -9.056 563 HE3 LYS 72 HE3 LYS 72 15.282 -7.655 -7.425 564 HZ1 LYS 72 HZ1 LYS 72 15.829 -9.621 -8.471 565 HZ2 LYS 72 HZ2 LYS 72 14.500 -10.036 -7.619 566 HZ3 LYS 72 HZ3 LYS 72 14.390 -9.776 -9.227 567 H ARG 73 H ARG 73 12.849 -10.846 -5.270 568 HA ARG 73 HA ARG 73 15.367 -11.102 -6.142 569 HB2 ARG 73 HB2 ARG 73 15.382 -11.338 -3.288 570 HB3 ARG 73 HB3 ARG 73 15.612 -12.962 -3.904 571 HG2 ARG 73 HG2 ARG 73 17.493 -12.169 -5.335 572 HG3 ARG 73 HG3 ARG 73 17.249 -10.530 -4.766 573 HD2 ARG 73 HD2 ARG 73 19.057 -11.444 -3.451 574 HD3 ARG 73 HD3 ARG 73 17.664 -11.374 -2.390 575 HE ARG 73 HE ARG 73 18.931 -13.809 -3.471 576 HH11 ARG 73 HH22 ARG 73 16.124 -12.431 -1.856 577 HH12 ARG 73 HH21 ARG 73 15.600 -13.946 -1.199 578 HH21 ARG 73 HH12 ARG 73 18.239 -15.807 -2.605 579 HH22 ARG 73 HH11 ARG 73 16.811 -15.879 -1.627 580 H SER 74 H SER 74 13.022 -13.027 -4.128 581 HA SER 74 HA SER 74 13.331 -15.311 -5.750 582 HB2 SER 74 HB2 SER 74 12.165 -14.680 -3.245 583 HB3 SER 74 HB3 SER 74 10.832 -15.246 -4.232 584 HG SER 74 HG SER 74 11.693 -17.247 -4.355 585 H LYS 75 H LYS 75 10.575 -16.157 -6.045 586 HA LYS 75 HA LYS 75 9.391 -14.114 -7.750 587 HB2 LYS 75 HB2 LYS 75 9.236 -15.532 -9.665 588 HB3 LYS 75 HB3 LYS 75 10.918 -15.479 -9.177 589 HG2 LYS 75 HG2 LYS 75 9.808 -17.642 -7.714 590 HG3 LYS 75 HG3 LYS 75 9.104 -17.776 -9.313 591 HD2 LYS 75 HD2 LYS 75 11.295 -17.827 -10.371 592 HD3 LYS 75 HD3 LYS 75 12.096 -17.380 -8.877 593 HE2 LYS 75 HE2 LYS 75 10.570 -19.707 -8.256 594 HE3 LYS 75 HE3 LYS 75 11.306 -20.032 -9.813 595 HZ1 LYS 75 HZ1 LYS 75 13.241 -18.839 -8.279 596 HZ2 LYS 75 HZ2 LYS 75 12.526 -19.932 -7.299 597 HZ3 LYS 75 HZ3 LYS 75 13.164 -20.408 -8.724 598 H LYS 76 H LYS 76 7.626 -16.410 -8.816 599 HA LYS 76 HA LYS 76 5.526 -16.976 -8.307 600 HB2 LYS 76 HB2 LYS 76 7.273 -18.350 -6.286 601 HB3 LYS 76 HB3 LYS 76 5.536 -18.574 -6.218 602 HG2 LYS 76 HG2 LYS 76 5.524 -19.904 -8.071 603 HG3 LYS 76 HG3 LYS 76 6.546 -18.803 -8.973 604 HD2 LYS 76 HD2 LYS 76 8.560 -19.694 -7.789 605 HD3 LYS 76 HD3 LYS 76 7.542 -20.787 -6.872 606 HE2 LYS 76 HE2 LYS 76 6.871 -21.160 -9.640 607 HE3 LYS 76 HE3 LYS 76 8.621 -21.134 -9.543 608 HZ1 LYS 76 HZ1 LYS 76 7.370 -23.304 -9.117 609 HZ2 LYS 76 HZ2 LYS 76 8.631 -22.930 -8.149 610 HZ3 LYS 76 HZ3 LYS 76 7.102 -22.710 -7.620 611 H ILE 77 H ILE 77 4.533 -14.947 -7.958 612 HA ILE 77 HA ILE 77 3.343 -13.482 -6.812 613 HB ILE 77 HB ILE 77 3.673 -15.456 -4.552 614 HG12 ILE 77 HG12 ILE 77 2.536 -16.312 -6.587 615 HG13 ILE 77 HG13 ILE 77 1.506 -16.278 -5.169 616 HG21 ILE 77 HG21 ILE 77 3.052 -13.631 -3.339 617 HG22 ILE 77 HG22 ILE 77 2.251 -12.839 -4.717 618 HG23 ILE 77 HG23 ILE 77 1.445 -14.182 -3.870 619 HD11 ILE 77 HD11 ILE 77 0.017 -14.987 -6.275 620 HD12 ILE 77 HD12 ILE 77 1.256 -13.724 -6.473 621 HD13 ILE 77 HD13 ILE 77 1.077 -14.996 -7.705 622 H MET 78 H MET 78 5.123 -14.359 -3.843 623 HA MET 78 HA MET 78 6.630 -13.316 -2.672 624 HB2 MET 78 HB2 MET 78 7.445 -12.859 -5.425 625 HB3 MET 78 HB3 MET 78 7.785 -11.400 -4.516 626 HG2 MET 78 HG2 MET 78 8.727 -13.255 -2.741 627 HG3 MET 78 HG3 MET 78 8.982 -14.136 -4.234 628 HE1 MET 78 HE1 MET 78 12.012 -12.502 -2.531 629 HE2 MET 78 HE2 MET 78 11.069 -11.030 -2.194 630 HE3 MET 78 HE3 MET 78 10.385 -12.630 -1.821 631 HA PRO 79 HA PRO 79 5.027 -9.446 -1.533 632 HB2 PRO 79 HB2 PRO 79 7.100 -8.187 -0.273 633 HB3 PRO 79 HB3 PRO 79 6.136 -9.439 0.485 634 HG2 PRO 79 HG2 PRO 79 8.883 -9.612 -0.594 635 HG3 PRO 79 HG3 PRO 79 8.072 -10.691 0.524 636 HD2 PRO 79 HD2 PRO 79 8.544 -11.151 -2.267 637 HD3 PRO 79 HD3 PRO 79 7.633 -12.175 -1.175 638 H ALA 80 H ALA 80 7.677 -9.473 -3.666 639 HA ALA 80 HA ALA 80 8.167 -6.889 -4.204 640 HB1 ALA 80 HB1 ALA 80 9.371 -8.306 -5.550 641 HB2 ALA 80 HB2 ALA 80 7.989 -9.394 -5.826 642 HB3 ALA 80 HB3 ALA 80 8.105 -7.858 -6.719 643 H GLY 81 H GLY 81 5.335 -8.805 -5.411 644 HA2 GLY 81 HA2 GLY 81 4.089 -7.092 -7.056 645 HA3 GLY 81 HA3 GLY 81 3.239 -8.088 -5.891 646 H LEU 82 H LEU 82 3.745 -7.028 -3.430 647 HA LEU 82 HA LEU 82 2.054 -4.909 -3.229 648 HB2 LEU 82 HB2 LEU 82 3.607 -6.475 -1.530 649 HB3 LEU 82 HB3 LEU 82 4.139 -4.837 -1.206 650 HG LEU 82 HG LEU 82 2.365 -5.512 0.320 651 HD11 LEU 82 HD11 LEU 82 0.785 -3.620 -0.071 652 HD12 LEU 82 HD12 LEU 82 2.504 -3.167 -0.152 653 HD13 LEU 82 HD13 LEU 82 1.563 -3.357 -1.650 654 HD21 LEU 82 HD21 LEU 82 1.037 -6.355 -2.181 655 HD22 LEU 82 HD22 LEU 82 0.912 -7.004 -0.528 656 HD23 LEU 82 HD23 LEU 82 -0.011 -5.553 -0.987 657 H VAL 83 H VAL 83 5.668 -4.823 -3.473 658 HA VAL 83 HA VAL 83 5.941 -2.079 -3.279 659 HB VAL 83 HB VAL 83 7.564 -4.101 -4.837 660 HG11 VAL 83 HG11 VAL 83 7.909 -1.613 -5.377 661 HG12 VAL 83 HG12 VAL 83 8.571 -1.473 -3.730 662 HG13 VAL 83 HG13 VAL 83 9.343 -2.558 -4.912 663 HG21 VAL 83 HG21 VAL 83 7.403 -3.355 -1.951 664 HG22 VAL 83 HG22 VAL 83 7.755 -4.924 -2.714 665 HG23 VAL 83 HG23 VAL 83 9.017 -3.671 -2.631 666 H ALA 84 H ALA 84 5.161 -4.186 -6.089 667 HA ALA 84 HA ALA 84 5.375 -2.171 -8.027 668 HB1 ALA 84 HB1 ALA 84 5.215 -4.101 -9.180 669 HB2 ALA 84 HB2 ALA 84 4.481 -4.946 -7.796 670 HB3 ALA 84 HB3 ALA 84 3.457 -4.011 -8.912 671 H GLY 85 H GLY 85 2.867 -3.062 -5.673 672 HA2 GLY 85 HA2 GLY 85 0.744 -1.629 -6.932 673 HA3 GLY 85 HA3 GLY 85 0.793 -2.250 -5.294 674 H LEU 86 H LEU 86 2.952 -0.966 -4.117 675 HA LEU 86 HA LEU 86 1.893 1.507 -3.477 676 HB2 LEU 86 HB2 LEU 86 4.763 0.614 -3.188 677 HB3 LEU 86 HB3 LEU 86 3.959 1.879 -2.280 678 HG LEU 86 HG LEU 86 2.753 -0.844 -2.149 679 HD11 LEU 86 HD11 LEU 86 5.522 -0.531 -1.721 680 HD12 LEU 86 HD12 LEU 86 4.772 -0.637 -0.110 681 HD13 LEU 86 HD13 LEU 86 4.496 -1.925 -1.306 682 HD21 LEU 86 HD21 LEU 86 3.266 0.677 0.311 683 HD22 LEU 86 HD22 LEU 86 2.281 1.546 -0.890 684 HD23 LEU 86 HD23 LEU 86 1.764 -0.053 -0.304 685 H SER 87 H SER 87 4.331 0.544 -5.930 686 HA SER 87 HA SER 87 5.112 3.142 -6.544 687 HB2 SER 87 HB2 SER 87 5.411 0.430 -7.718 688 HB3 SER 87 HB3 SER 87 5.495 1.728 -8.893 689 HG SER 87 HG SER 87 7.027 1.777 -6.444 690 H LEU 88 H LEU 88 2.793 0.867 -8.188 691 HA LEU 88 HA LEU 88 1.963 2.522 -10.195 692 HB2 LEU 88 HB2 LEU 88 1.310 0.036 -9.231 693 HB3 LEU 88 HB3 LEU 88 -0.173 0.932 -8.966 694 HG LEU 88 HG LEU 88 -0.268 -0.192 -11.095 695 HD11 LEU 88 HD11 LEU 88 -1.515 1.551 -11.681 696 HD12 LEU 88 HD12 LEU 88 -0.451 2.688 -10.819 697 HD13 LEU 88 HD13 LEU 88 -0.078 2.218 -12.494 698 HD21 LEU 88 HD21 LEU 88 2.489 0.657 -11.306 699 HD22 LEU 88 HD22 LEU 88 1.601 -0.581 -12.227 700 HD23 LEU 88 HD23 LEU 88 1.567 1.118 -12.757 701 H MET 89 H MET 89 0.920 2.434 -6.753 702 HA MET 89 HA MET 89 -1.165 4.248 -7.084 703 HB2 MET 89 HB2 MET 89 0.150 2.780 -4.970 704 HB3 MET 89 HB3 MET 89 0.078 4.453 -4.453 705 HG2 MET 89 HG2 MET 89 -2.230 4.453 -4.290 706 HG3 MET 89 HG3 MET 89 -2.438 3.410 -5.683 707 HE1 MET 89 HE1 MET 89 -4.346 1.670 -3.190 708 HE2 MET 89 HE2 MET 89 -3.593 2.699 -1.948 709 HE3 MET 89 HE3 MET 89 -4.083 3.401 -3.508 710 H MET 90 H MET 90 2.318 4.652 -6.214 711 HA MET 90 HA MET 90 2.220 7.311 -5.563 712 HB2 MET 90 HB2 MET 90 4.329 5.469 -6.762 713 HB3 MET 90 HB3 MET 90 4.708 7.165 -6.533 714 HG2 MET 90 HG2 MET 90 4.550 7.029 -4.178 715 HG3 MET 90 HG3 MET 90 3.505 5.623 -4.222 716 HE1 MET 90 HE1 MET 90 7.121 4.806 -2.570 717 HE2 MET 90 HE2 MET 90 6.141 6.291 -2.551 718 HE3 MET 90 HE3 MET 90 5.380 4.719 -2.211 719 H ILE 91 H ILE 91 3.287 5.910 -8.755 720 HA ILE 91 HA ILE 91 3.479 8.276 -10.114 721 HB ILE 91 HB ILE 91 4.321 6.207 -10.972 722 HG12 ILE 91 HG12 ILE 91 3.259 6.286 -13.318 723 HG13 ILE 91 HG13 ILE 91 2.242 7.568 -12.689 724 HG21 ILE 91 HG21 ILE 91 2.222 4.927 -10.052 725 HG22 ILE 91 HG22 ILE 91 1.593 5.203 -11.694 726 HG23 ILE 91 HG23 ILE 91 3.117 4.313 -11.463 727 HD11 ILE 91 HD11 ILE 91 3.974 9.079 -12.568 728 HD12 ILE 91 HD12 ILE 91 5.158 7.839 -12.090 729 HD13 ILE 91 HD13 ILE 91 4.691 8.011 -13.799 730 H LEU 92 H LEU 92 0.575 6.169 -9.649 731 HA LEU 92 HA LEU 92 -1.165 7.576 -11.244 732 HB2 LEU 92 HB2 LEU 92 -1.618 5.399 -10.259 733 HB3 LEU 92 HB3 LEU 92 -1.678 6.105 -8.656 734 HG LEU 92 HG LEU 92 -3.622 7.543 -9.545 735 HD11 LEU 92 HD11 LEU 92 -4.487 5.552 -11.444 736 HD12 LEU 92 HD12 LEU 92 -4.334 7.316 -11.633 737 HD13 LEU 92 HD13 LEU 92 -2.935 6.261 -11.951 738 HD21 LEU 92 HD21 LEU 92 -3.601 5.354 -8.067 739 HD22 LEU 92 HD22 LEU 92 -5.123 6.057 -8.666 740 HD23 LEU 92 HD23 LEU 92 -4.402 4.657 -9.495 741 H ARG 93 H ARG 93 -0.032 8.240 -7.904 742 HA ARG 93 HA ARG 93 -1.880 10.312 -7.508 743 HB2 ARG 93 HB2 ARG 93 0.685 9.431 -6.135 744 HB3 ARG 93 HB3 ARG 93 -0.088 10.927 -5.651 745 HG2 ARG 93 HG2 ARG 93 -2.252 9.200 -5.701 746 HG3 ARG 93 HG3 ARG 93 -0.965 8.116 -5.212 747 HD2 ARG 93 HD2 ARG 93 -0.542 10.471 -3.684 748 HD3 ARG 93 HD3 ARG 93 -2.279 10.234 -3.669 749 HE ARG 93 HE ARG 93 -0.286 8.543 -2.379 750 HH11 ARG 93 HH22 ARG 93 -3.507 8.561 -3.796 751 HH12 ARG 93 HH21 ARG 93 -4.054 7.192 -2.886 752 HH21 ARG 93 HH12 ARG 93 -1.007 6.737 -1.178 753 HH22 ARG 93 HH11 ARG 93 -2.623 6.148 -1.387 754 H LEU 94 H LEU 94 1.331 10.023 -8.991 755 HA LEU 94 HA LEU 94 2.342 12.529 -8.816 756 HB2 LEU 94 HB2 LEU 94 3.126 10.348 -10.027 757 HB3 LEU 94 HB3 LEU 94 2.377 11.075 -11.434 758 HG LEU 94 HG LEU 94 4.028 13.063 -10.220 759 HD11 LEU 94 HD11 LEU 94 6.243 11.767 -10.653 760 HD12 LEU 94 HD12 LEU 94 5.408 11.590 -9.091 761 HD13 LEU 94 HD13 LEU 94 5.254 10.322 -10.332 762 HD21 LEU 94 HD21 LEU 94 3.343 12.816 -12.618 763 HD22 LEU 94 HD22 LEU 94 5.075 13.142 -12.365 764 HD23 LEU 94 HD23 LEU 94 4.528 11.495 -12.760 765 H VAL 95 H VAL 95 -0.253 11.358 -11.036 766 HA VAL 95 HA VAL 95 -0.564 14.050 -12.068 767 HB VAL 95 HB VAL 95 -1.775 11.363 -12.704 768 HG11 VAL 95 HG11 VAL 95 -2.645 12.983 -14.727 769 HG12 VAL 95 HG12 VAL 95 -3.629 12.488 -13.329 770 HG13 VAL 95 HG13 VAL 95 -2.802 14.064 -13.321 771 HG21 VAL 95 HG21 VAL 95 -0.634 11.592 -14.814 772 HG22 VAL 95 HG22 VAL 95 -0.147 13.260 -14.426 773 HG23 VAL 95 HG23 VAL 95 0.537 11.897 -13.508 774 H LEU 96 H LEU 96 -2.342 11.591 -10.107 775 HA LEU 96 HA LEU 96 -4.733 12.754 -9.783 776 HB2 LEU 96 HB2 LEU 96 -3.477 10.686 -8.664 777 HB3 LEU 96 HB3 LEU 96 -3.377 11.797 -7.313 778 HG LEU 96 HG LEU 96 -5.996 12.069 -7.878 779 HD11 LEU 96 HD11 LEU 96 -7.041 10.214 -8.751 780 HD12 LEU 96 HD12 LEU 96 -5.565 10.284 -9.744 781 HD13 LEU 96 HD13 LEU 96 -5.673 9.133 -8.391 782 HD21 LEU 96 HD21 LEU 96 -6.449 10.596 -6.026 783 HD22 LEU 96 HD22 LEU 96 -4.877 9.788 -6.229 784 HD23 LEU 96 HD23 LEU 96 -4.942 11.488 -5.707 785 H LEU 97 H LEU 97 -1.610 13.962 -8.625 786 HA LEU 97 HA LEU 97 -2.231 15.620 -6.617 787 HB2 LEU 97 HB2 LEU 97 -0.105 15.256 -8.267 788 HB3 LEU 97 HB3 LEU 97 -0.606 16.866 -8.742 789 HG LEU 97 HG LEU 97 -0.512 16.574 -5.838 790 HD11 LEU 97 HD11 LEU 97 1.271 14.924 -6.590 791 HD12 LEU 97 HD12 LEU 97 2.157 16.330 -7.231 792 HD13 LEU 97 HD13 LEU 97 1.793 16.224 -5.492 793 HD21 LEU 97 HD21 LEU 97 0.562 18.672 -5.922 794 HD22 LEU 97 HD22 LEU 97 1.095 18.426 -7.603 795 HD23 LEU 97 HD23 LEU 97 -0.629 18.687 -7.245 796 H LEU 98 H LEU 98 -3.161 15.980 -10.047 797 HA LEU 98 HA LEU 98 -4.010 18.630 -9.910 798 HB2 LEU 98 HB2 LEU 98 -3.694 16.853 -11.868 799 HB3 LEU 98 HB3 LEU 98 -5.425 16.675 -11.653 800 HG LEU 98 HG LEU 98 -5.137 19.417 -11.752 801 HD11 LEU 98 HD11 LEU 98 -2.756 18.283 -12.904 802 HD12 LEU 98 HD12 LEU 98 -3.708 19.106 -14.162 803 HD13 LEU 98 HD13 LEU 98 -3.215 19.990 -12.698 804 HD21 LEU 98 HD21 LEU 98 -6.376 19.298 -13.712 805 HD22 LEU 98 HD22 LEU 98 -5.569 17.808 -14.257 806 HD23 LEU 98 HD23 LEU 98 -6.737 17.747 -12.916 807 H LEU 99 H LEU 99 -5.867 15.535 -9.503 808 HA LEU 99 HA LEU 99 -8.322 16.594 -9.012 809 HB2 LEU 99 HB2 LEU 99 -6.879 14.125 -8.263 810 HB3 LEU 99 HB3 LEU 99 -8.294 14.498 -7.299 811 HG LEU 99 HG LEU 99 -9.102 14.868 -9.972 812 HD11 LEU 99 HD11 LEU 99 -6.860 13.267 -10.087 813 HD12 LEU 99 HD12 LEU 99 -8.192 12.088 -10.039 814 HD13 LEU 99 HD13 LEU 99 -8.160 13.343 -11.301 815 HD21 LEU 99 HD21 LEU 99 -10.808 14.006 -8.812 816 HD22 LEU 99 HD22 LEU 99 -10.122 12.424 -9.251 817 HD23 LEU 99 HD23 LEU 99 -9.735 13.156 -7.675 Start of MODEL 15 1 H MET 1 H1 MET 1 -11.267 -10.329 -25.258 2 HA MET 1 HA MET 1 -10.633 -12.241 -23.776 3 HB2 MET 1 HB2 MET 1 -10.866 -9.928 -21.936 4 HB3 MET 1 HB3 MET 1 -11.833 -11.286 -21.396 5 HG2 MET 1 HG2 MET 1 -9.604 -12.675 -21.958 6 HG3 MET 1 HG3 MET 1 -8.836 -11.113 -21.754 7 HE1 MET 1 HE1 MET 1 -11.343 -13.623 -20.263 8 HE2 MET 1 HE2 MET 1 -9.712 -14.251 -19.924 9 HE3 MET 1 HE3 MET 1 -10.768 -13.746 -18.583 10 H ASP 2 H ASP 2 -12.263 -13.687 -24.131 11 HA ASP 2 HA ASP 2 -14.238 -14.524 -24.441 12 HB2 ASP 2 HB2 ASP 2 -15.058 -12.274 -22.556 13 HB3 ASP 2 HB3 ASP 2 -16.216 -13.444 -23.156 14 H LEU 3 H LEU 3 -16.356 -14.156 -25.650 15 HA LEU 3 HA LEU 3 -16.299 -11.600 -27.099 16 HB2 LEU 3 HB2 LEU 3 -17.065 -12.784 -29.066 17 HB3 LEU 3 HB3 LEU 3 -15.514 -13.384 -28.514 18 HG LEU 3 HG LEU 3 -17.786 -14.902 -27.436 19 HD11 LEU 3 HD11 LEU 3 -17.727 -14.270 -30.296 20 HD12 LEU 3 HD12 LEU 3 -17.724 -16.016 -29.950 21 HD13 LEU 3 HD13 LEU 3 -19.017 -14.981 -29.298 22 HD21 LEU 3 HD21 LEU 3 -15.043 -15.329 -28.390 23 HD22 LEU 3 HD22 LEU 3 -15.963 -16.157 -27.111 24 HD23 LEU 3 HD23 LEU 3 -16.171 -16.639 -28.812 25 H ILE 4 H ILE 4 -17.654 -11.149 -25.000 26 HA ILE 4 HA ILE 4 -20.435 -11.594 -25.777 27 HB ILE 4 HB ILE 4 -19.659 -13.235 -24.008 28 HG12 ILE 4 HG12 ILE 4 -21.855 -11.710 -22.756 29 HG13 ILE 4 HG13 ILE 4 -22.075 -12.025 -24.466 30 HG21 ILE 4 HG21 ILE 4 -18.645 -12.521 -22.172 31 HG22 ILE 4 HG22 ILE 4 -18.741 -10.849 -22.774 32 HG23 ILE 4 HG23 ILE 4 -20.050 -11.507 -21.764 33 HD11 ILE 4 HD11 ILE 4 -21.038 -14.389 -23.054 34 HD12 ILE 4 HD12 ILE 4 -22.588 -13.824 -22.385 35 HD13 ILE 4 HD13 ILE 4 -22.462 -14.236 -24.112 36 H GLY 5 H GLY 5 -21.893 -9.911 -25.028 37 HA2 GLY 5 HA2 GLY 5 -21.129 -7.367 -25.403 38 HA3 GLY 5 HA3 GLY 5 -22.437 -7.824 -24.331 39 H PHE 6 H PHE 6 -19.280 -6.431 -24.561 40 HA PHE 6 HA PHE 6 -18.416 -6.946 -21.919 41 HB2 PHE 6 HB2 PHE 6 -16.950 -6.283 -23.850 42 HB3 PHE 6 HB3 PHE 6 -17.821 -4.771 -24.014 43 HD1 PHE 6 HD2 PHE 6 -15.788 -6.675 -21.535 44 HD2 PHE 6 HD1 PHE 6 -16.998 -2.870 -22.973 45 HE1 PHE 6 HE2 PHE 6 -14.163 -5.568 -19.975 46 HE2 PHE 6 HE1 PHE 6 -15.373 -1.764 -21.413 47 HZ PHE 6 HZ PHE 6 -13.975 -3.126 -19.932 48 H GLY 7 H GLY 7 -19.936 -4.067 -23.535 49 HA2 GLY 7 HA2 GLY 7 -20.002 -2.214 -21.624 50 HA3 GLY 7 HA3 GLY 7 -21.385 -2.558 -22.643 51 H TYR 8 H TYR 8 -22.520 -4.841 -21.838 52 HA TYR 8 HA TYR 8 -23.914 -4.246 -19.584 53 HB2 TYR 8 HB2 TYR 8 -23.128 -6.674 -21.203 54 HB3 TYR 8 HB3 TYR 8 -23.814 -7.031 -19.630 55 HD1 TYR 8 HD1 TYR 8 -26.011 -5.386 -19.154 56 HD2 TYR 8 HD2 TYR 8 -24.635 -6.800 -22.951 57 HE1 TYR 8 HE1 TYR 8 -28.347 -5.100 -20.116 58 HE2 TYR 8 HE2 TYR 8 -26.975 -6.510 -23.899 59 HH TYR 8 HH TYR 8 -29.544 -6.456 -22.369 60 H ALA 9 H ALA 9 -20.952 -6.327 -19.823 61 HA ALA 9 HA ALA 9 -20.861 -7.084 -17.166 62 HB1 ALA 9 HB1 ALA 9 -19.308 -7.364 -19.502 63 HB2 ALA 9 HB2 ALA 9 -18.219 -6.631 -18.300 64 HB3 ALA 9 HB3 ALA 9 -19.044 -8.165 -17.935 65 H ALA 10 H ALA 10 -19.756 -4.091 -18.817 66 HA ALA 10 HA ALA 10 -18.375 -3.077 -16.565 67 HB1 ALA 10 HB1 ALA 10 -19.538 -1.756 -19.050 68 HB2 ALA 10 HB2 ALA 10 -18.458 -0.951 -17.886 69 HB3 ALA 10 HB3 ALA 10 -17.871 -2.340 -18.832 70 H LEU 11 H LEU 11 -21.755 -3.144 -17.638 71 HA LEU 11 HA LEU 11 -22.644 -1.004 -16.038 72 HB2 LEU 11 HB2 LEU 11 -23.756 -2.117 -18.044 73 HB3 LEU 11 HB3 LEU 11 -24.271 -3.375 -16.937 74 HG LEU 11 HG LEU 11 -25.077 -1.064 -15.641 75 HD11 LEU 11 HD11 LEU 11 -26.483 -0.088 -17.693 76 HD12 LEU 11 HD12 LEU 11 -24.890 0.553 -17.223 77 HD13 LEU 11 HD13 LEU 11 -25.023 -0.592 -18.579 78 HD21 LEU 11 HD21 LEU 11 -27.332 -1.841 -16.992 79 HD22 LEU 11 HD22 LEU 11 -26.314 -3.297 -17.094 80 HD23 LEU 11 HD23 LEU 11 -26.704 -2.594 -15.506 81 H VAL 12 H VAL 12 -22.649 -4.601 -15.553 82 HA VAL 12 HA VAL 12 -23.763 -4.531 -13.009 83 HB VAL 12 HB VAL 12 -21.918 -6.476 -14.397 84 HG11 VAL 12 HG11 VAL 12 -23.500 -7.004 -11.863 85 HG12 VAL 12 HG12 VAL 12 -22.367 -8.100 -12.691 86 HG13 VAL 12 HG13 VAL 12 -21.760 -6.631 -11.889 87 HG21 VAL 12 HG21 VAL 12 -24.781 -5.932 -14.459 88 HG22 VAL 12 HG22 VAL 12 -23.787 -6.947 -15.532 89 HG23 VAL 12 HG23 VAL 12 -24.434 -7.620 -14.016 90 H THR 13 H THR 13 -20.264 -4.860 -13.958 91 HA THR 13 HA THR 13 -19.122 -4.788 -11.509 92 HB THR 13 HB THR 13 -18.265 -3.420 -14.113 93 HG1 THR 13 HG1 THR 13 -18.500 -5.683 -14.353 94 HG21 THR 13 HG21 THR 13 -15.955 -4.254 -12.976 95 HG22 THR 13 HG22 THR 13 -16.592 -2.617 -12.685 96 HG23 THR 13 HG23 THR 13 -16.862 -3.904 -11.485 97 H PHE 14 H PHE 14 -19.979 -1.837 -13.439 98 HA PHE 14 HA PHE 14 -19.179 0.013 -11.595 99 HB2 PHE 14 HB2 PHE 14 -21.039 -0.274 -13.890 100 HB3 PHE 14 HB3 PHE 14 -21.624 0.926 -12.755 101 HD1 PHE 14 HD1 PHE 14 -18.699 0.001 -14.835 102 HD2 PHE 14 HD2 PHE 14 -20.676 3.078 -12.684 103 HE1 PHE 14 HE1 PHE 14 -17.132 1.697 -15.820 104 HE2 PHE 14 HE2 PHE 14 -19.109 4.774 -13.668 105 HZ PHE 14 HZ PHE 14 -17.356 4.063 -15.224 106 H GLY 15 H GLY 15 -22.421 -1.595 -11.882 107 HA2 GLY 15 HA2 GLY 15 -23.627 -0.238 -9.740 108 HA3 GLY 15 HA3 GLY 15 -24.124 -1.771 -10.427 109 H SER 16 H SER 16 -22.776 -3.761 -9.762 110 HA SER 16 HA SER 16 -22.963 -4.259 -7.185 111 HB2 SER 16 HB2 SER 16 -21.601 -5.437 -9.416 112 HB3 SER 16 HB3 SER 16 -20.498 -5.505 -8.055 113 HG SER 16 HG SER 16 -22.355 -7.240 -8.488 114 H ILE 17 H ILE 17 -19.961 -2.966 -8.780 115 HA ILE 17 HA ILE 17 -18.355 -2.813 -6.575 116 HB ILE 17 HB ILE 17 -18.574 -1.083 -9.029 117 HG12 ILE 17 HG12 ILE 17 -17.922 -3.574 -9.105 118 HG13 ILE 17 HG13 ILE 17 -16.910 -2.418 -9.949 119 HG21 ILE 17 HG21 ILE 17 -16.909 -0.703 -6.619 120 HG22 ILE 17 HG22 ILE 17 -16.035 -0.659 -8.169 121 HG23 ILE 17 HG23 ILE 17 -17.396 0.452 -7.883 122 HD11 ILE 17 HD11 ILE 17 -15.122 -2.786 -8.573 123 HD12 ILE 17 HD12 ILE 17 -16.137 -2.827 -7.112 124 HD13 ILE 17 HD13 ILE 17 -15.985 -4.278 -8.131 125 H PHE 18 H PHE 18 -20.671 -0.300 -7.801 126 HA PHE 18 HA PHE 18 -20.200 1.562 -5.829 127 HB2 PHE 18 HB2 PHE 18 -22.215 0.828 -7.869 128 HB3 PHE 18 HB3 PHE 18 -22.995 1.545 -6.473 129 HD1 PHE 18 HD1 PHE 18 -19.977 2.196 -8.587 130 HD2 PHE 18 HD2 PHE 18 -23.337 3.815 -6.564 131 HE1 PHE 18 HE1 PHE 18 -19.382 4.484 -9.429 132 HE2 PHE 18 HE2 PHE 18 -22.742 6.103 -7.407 133 HZ PHE 18 HZ PHE 18 -20.772 6.410 -8.829 134 H GLY 19 H GLY 19 -22.107 -1.448 -5.755 135 HA2 GLY 19 HA2 GLY 19 -23.472 -0.781 -3.306 136 HA3 GLY 19 HA3 GLY 19 -23.483 -2.310 -4.162 137 H TYR 20 H TYR 20 -20.397 -2.250 -4.283 138 HA TYR 20 HA TYR 20 -18.782 -3.273 -3.146 139 HB2 TYR 20 HB2 TYR 20 -19.722 -0.893 -1.797 140 HB3 TYR 20 HB3 TYR 20 -19.403 -2.060 -0.530 141 HD1 TYR 20 HD2 TYR 20 -17.040 -3.460 -1.181 142 HD2 TYR 20 HD1 TYR 20 -17.991 0.614 -2.077 143 HE1 TYR 20 HE2 TYR 20 -14.563 -2.900 -1.296 144 HE2 TYR 20 HE1 TYR 20 -15.511 1.161 -2.189 145 HH TYR 20 HH TYR 20 -13.483 0.288 -2.328 146 H LYS 21 H LYS 21 -19.263 -5.449 -2.961 147 HA LYS 21 HA LYS 21 -20.732 -6.189 -0.525 148 HB2 LYS 21 HB2 LYS 21 -21.154 -6.942 -3.313 149 HB3 LYS 21 HB3 LYS 21 -20.914 -8.344 -2.291 150 HG2 LYS 21 HG2 LYS 21 -22.908 -8.050 -1.211 151 HG3 LYS 21 HG3 LYS 21 -22.661 -6.325 -1.028 152 HD2 LYS 21 HD2 LYS 21 -23.713 -5.808 -3.040 153 HD3 LYS 21 HD3 LYS 21 -23.225 -7.305 -3.810 154 HE2 LYS 21 HE2 LYS 21 -24.862 -8.339 -1.897 155 HE3 LYS 21 HE3 LYS 21 -25.600 -6.758 -2.053 156 HZ1 LYS 21 HZ1 LYS 21 -26.104 -8.804 -3.660 157 HZ2 LYS 21 HZ2 LYS 21 -26.329 -7.243 -4.085 158 HZ3 LYS 21 HZ3 LYS 21 -24.971 -8.025 -4.542 159 H ARG 22 H ARG 22 -19.131 -6.640 0.927 160 HA ARG 22 HA ARG 22 -17.536 -7.756 1.872 161 HB2 ARG 22 HB2 ARG 22 -18.341 -9.573 -0.268 162 HB3 ARG 22 HB3 ARG 22 -16.613 -9.708 -0.009 163 HG2 ARG 22 HG2 ARG 22 -17.774 -9.585 2.594 164 HG3 ARG 22 HG3 ARG 22 -18.797 -10.667 1.670 165 HD2 ARG 22 HD2 ARG 22 -16.017 -11.257 1.059 166 HD3 ARG 22 HD3 ARG 22 -16.220 -11.227 2.799 167 HE ARG 22 HE ARG 22 -17.357 -13.180 0.949 168 HH11 ARG 22 HH22 ARG 22 -17.760 -11.655 4.094 169 HH12 ARG 22 HH21 ARG 22 -18.679 -12.965 4.754 170 HH21 ARG 22 HH12 ARG 22 -18.571 -14.910 1.819 171 HH22 ARG 22 HH11 ARG 22 -19.144 -14.829 3.452 172 H ARG 23 H ARG 23 -16.204 -5.805 1.620 173 HA ARG 23 HA ARG 23 -14.806 -5.051 -0.515 174 HB2 ARG 23 HB2 ARG 23 -13.105 -4.117 1.131 175 HB3 ARG 23 HB3 ARG 23 -14.768 -3.745 1.538 176 HG2 ARG 23 HG2 ARG 23 -14.621 -6.004 2.948 177 HG3 ARG 23 HG3 ARG 23 -12.893 -5.723 2.854 178 HD2 ARG 23 HD2 ARG 23 -13.193 -4.393 4.690 179 HD3 ARG 23 HD3 ARG 23 -13.805 -3.202 3.559 180 HE ARG 23 HE ARG 23 -15.958 -3.558 4.397 181 HH11 ARG 23 HH22 ARG 23 -13.928 -6.294 5.274 182 HH12 ARG 23 HH21 ARG 23 -15.134 -7.032 6.274 183 HH21 ARG 23 HH12 ARG 23 -17.550 -4.530 5.717 184 HH22 ARG 23 HH11 ARG 23 -17.208 -6.022 6.528 185 H GLY 24 H GLY 24 -13.781 -7.492 1.969 186 HA2 GLY 24 HA2 GLY 24 -12.516 -9.225 0.244 187 HA3 GLY 24 HA3 GLY 24 -11.286 -8.067 0.710 188 H GLY 25 H GLY 25 -10.088 -8.636 2.466 189 HA2 GLY 25 HA2 GLY 25 -9.811 -9.176 4.700 190 HA3 GLY 25 HA3 GLY 25 -11.427 -9.850 4.760 191 H VAL 26 H VAL 26 -8.034 -10.439 3.891 192 HA VAL 26 HA VAL 26 -7.907 -13.019 4.571 193 HB VAL 26 HB VAL 26 -9.453 -12.726 2.116 194 HG11 VAL 26 HG11 VAL 26 -7.093 -14.638 2.097 195 HG12 VAL 26 HG12 VAL 26 -8.425 -14.622 0.917 196 HG13 VAL 26 HG13 VAL 26 -7.322 -13.230 1.032 197 HG21 VAL 26 HG21 VAL 26 -9.592 -14.182 4.449 198 HG22 VAL 26 HG22 VAL 26 -10.566 -14.474 2.988 199 HG23 VAL 26 HG23 VAL 26 -9.075 -15.407 3.265 200 HA PRO 27 HA PRO 27 -4.538 -11.855 1.465 201 HB2 PRO 27 HB2 PRO 27 -4.807 -9.624 -0.091 202 HB3 PRO 27 HB3 PRO 27 -5.222 -11.234 -0.644 203 HG2 PRO 27 HG2 PRO 27 -7.020 -9.035 0.175 204 HG3 PRO 27 HG3 PRO 27 -7.394 -10.466 -0.765 205 HD2 PRO 27 HD2 PRO 27 -8.022 -10.014 1.997 206 HD3 PRO 27 HD3 PRO 27 -8.292 -11.488 1.088 207 H SER 28 H SER 28 -2.942 -9.758 0.973 208 HA SER 28 HA SER 28 -2.918 -8.545 3.624 209 HB2 SER 28 HB2 SER 28 -0.807 -9.682 1.872 210 HB3 SER 28 HB3 SER 28 -0.379 -8.142 2.591 211 HG SER 28 HG SER 28 0.177 -10.072 3.897 212 H LEU 29 H LEU 29 -2.610 -8.036 0.088 213 HA LEU 29 HA LEU 29 -1.750 -5.498 -0.106 214 HB2 LEU 29 HB2 LEU 29 -3.472 -7.274 -1.643 215 HB3 LEU 29 HB3 LEU 29 -3.877 -5.586 -1.887 216 HG LEU 29 HG LEU 29 -0.988 -6.268 -2.040 217 HD11 LEU 29 HD11 LEU 29 -1.300 -8.019 -3.399 218 HD12 LEU 29 HD12 LEU 29 -3.011 -7.623 -3.686 219 HD13 LEU 29 HD13 LEU 29 -1.738 -6.798 -4.617 220 HD21 LEU 29 HD21 LEU 29 -1.471 -4.781 -4.197 221 HD22 LEU 29 HD22 LEU 29 -2.902 -4.326 -3.241 222 HD23 LEU 29 HD23 LEU 29 -1.270 -4.076 -2.575 223 H ILE 30 H ILE 30 -5.156 -6.507 0.627 224 HA ILE 30 HA ILE 30 -6.287 -4.034 0.786 225 HB ILE 30 HB ILE 30 -6.807 -6.499 2.448 226 HG12 ILE 30 HG12 ILE 30 -8.003 -5.494 -0.149 227 HG13 ILE 30 HG13 ILE 30 -6.998 -6.913 0.065 228 HG21 ILE 30 HG21 ILE 30 -8.987 -4.556 1.964 229 HG22 ILE 30 HG22 ILE 30 -8.625 -5.557 3.391 230 HG23 ILE 30 HG23 ILE 30 -7.725 -4.046 3.112 231 HD11 ILE 30 HD11 ILE 30 -8.738 -8.178 0.822 232 HD12 ILE 30 HD12 ILE 30 -9.338 -6.876 1.876 233 HD13 ILE 30 HD13 ILE 30 -9.771 -6.893 0.150 234 H ALA 31 H ALA 31 -4.541 -5.835 3.404 235 HA ALA 31 HA ALA 31 -4.857 -3.934 5.383 236 HB1 ALA 31 HB1 ALA 31 -2.307 -5.515 5.089 237 HB2 ALA 31 HB2 ALA 31 -3.276 -5.190 6.546 238 HB3 ALA 31 HB3 ALA 31 -3.847 -6.370 5.343 239 H GLY 32 H GLY 32 -2.529 -4.142 2.659 240 HA2 GLY 32 HA2 GLY 32 -0.830 -2.053 3.527 241 HA3 GLY 32 HA3 GLY 32 -0.974 -2.699 1.905 242 H LEU 33 H LEU 33 -3.954 -2.171 1.798 243 HA LEU 33 HA LEU 33 -3.755 0.476 0.784 244 HB2 LEU 33 HB2 LEU 33 -5.254 -1.674 0.182 245 HB3 LEU 33 HB3 LEU 33 -6.398 -0.805 1.185 246 HG LEU 33 HG LEU 33 -6.723 -0.300 -1.176 247 HD11 LEU 33 HD11 LEU 33 -5.575 2.218 -0.001 248 HD12 LEU 33 HD12 LEU 33 -7.057 1.983 -0.958 249 HD13 LEU 33 HD13 LEU 33 -6.995 1.435 0.734 250 HD21 LEU 33 HD21 LEU 33 -5.126 0.573 -2.616 251 HD22 LEU 33 HD22 LEU 33 -4.064 1.101 -1.290 252 HD23 LEU 33 HD23 LEU 33 -4.204 -0.630 -1.682 253 H PHE 34 H PHE 34 -5.313 -1.075 3.650 254 HA PHE 34 HA PHE 34 -6.568 1.214 4.594 255 HB2 PHE 34 HB2 PHE 34 -7.007 -1.084 5.413 256 HB3 PHE 34 HB3 PHE 34 -5.334 -1.280 5.895 257 HD1 PHE 34 HD1 PHE 34 -8.322 0.826 6.621 258 HD2 PHE 34 HD2 PHE 34 -4.732 -0.886 8.101 259 HE1 PHE 34 HE1 PHE 34 -8.895 1.622 8.932 260 HE2 PHE 34 HE2 PHE 34 -5.304 -0.089 10.411 261 HZ PHE 34 HZ PHE 34 -7.379 1.155 10.799 262 H VAL 35 H VAL 35 -3.332 -0.205 5.445 263 HA VAL 35 HA VAL 35 -2.658 1.789 7.277 264 HB VAL 35 HB VAL 35 -1.600 -0.407 7.126 265 HG11 VAL 35 HG11 VAL 35 -1.577 -0.581 4.647 266 HG12 VAL 35 HG12 VAL 35 -0.258 0.614 4.600 267 HG13 VAL 35 HG13 VAL 35 -0.003 -0.963 5.385 268 HG21 VAL 35 HG21 VAL 35 0.382 0.319 7.971 269 HG22 VAL 35 HG22 VAL 35 0.708 1.392 6.589 270 HG23 VAL 35 HG23 VAL 35 -0.423 1.903 7.865 271 H GLY 36 H GLY 36 -2.218 1.500 3.715 272 HA2 GLY 36 HA2 GLY 36 -0.527 3.645 3.282 273 HA3 GLY 36 HA3 GLY 36 -1.732 3.046 2.159 274 H CYS 37 H CYS 37 -4.155 3.571 3.476 275 HA CYS 37 HA CYS 37 -4.503 6.262 2.890 276 HB2 CYS 37 HB2 CYS 37 -6.172 4.116 4.130 277 HB3 CYS 37 HB3 CYS 37 -6.694 5.773 4.360 278 HG CYS 37 HG CYS 37 -8.034 5.200 2.356 279 H LEU 38 H LEU 38 -4.655 4.546 6.107 280 HA LEU 38 HA LEU 38 -4.890 6.608 7.781 281 HB2 LEU 38 HB2 LEU 38 -4.750 4.252 8.416 282 HB3 LEU 38 HB3 LEU 38 -3.026 4.251 8.100 283 HG LEU 38 HG LEU 38 -3.981 6.287 10.040 284 HD11 LEU 38 HD11 LEU 38 -3.615 3.936 11.573 285 HD12 LEU 38 HD12 LEU 38 -5.082 4.930 11.402 286 HD13 LEU 38 HD13 LEU 38 -4.807 3.554 10.307 287 HD21 LEU 38 HD21 LEU 38 -1.733 4.340 10.450 288 HD22 LEU 38 HD22 LEU 38 -1.558 5.677 9.288 289 HD23 LEU 38 HD23 LEU 38 -1.899 6.025 11.000 290 H ALA 39 H ALA 39 -1.835 5.585 6.147 291 HA ALA 39 HA ALA 39 -0.166 7.413 7.405 292 HB1 ALA 39 HB1 ALA 39 -0.064 5.483 5.302 293 HB2 ALA 39 HB2 ALA 39 0.627 6.997 4.671 294 HB3 ALA 39 HB3 ALA 39 1.295 6.262 6.148 295 H GLY 40 H GLY 40 -1.529 7.675 4.040 296 HA2 GLY 40 HA2 GLY 40 -0.901 10.365 3.693 297 HA3 GLY 40 HA3 GLY 40 -2.130 9.467 2.826 298 H TYR 41 H TYR 41 -4.299 9.150 3.975 299 HA TYR 41 HA TYR 41 -5.556 11.436 4.506 300 HB2 TYR 41 HB2 TYR 41 -5.789 8.547 5.142 301 HB3 TYR 41 HB3 TYR 41 -6.581 9.511 6.372 302 HD1 TYR 41 HD2 TYR 41 -8.108 11.502 5.318 303 HD2 TYR 41 HD1 TYR 41 -7.098 7.828 3.372 304 HE1 TYR 41 HE2 TYR 41 -10.148 11.728 3.818 305 HE2 TYR 41 HE1 TYR 41 -9.142 8.066 1.879 306 HH TYR 41 HH TYR 41 -11.433 9.260 2.142 307 H GLY 42 H GLY 42 -4.135 9.323 7.106 308 HA2 GLY 42 HA2 GLY 42 -4.727 10.891 9.284 309 HA3 GLY 42 HA3 GLY 42 -3.330 9.842 9.141 310 H ALA 43 H ALA 43 -1.686 10.964 7.278 311 HA ALA 43 HA ALA 43 -0.408 12.975 8.621 312 HB1 ALA 43 HB1 ALA 43 1.007 12.174 7.048 313 HB2 ALA 43 HB2 ALA 43 -0.323 11.716 5.957 314 HB3 ALA 43 HB3 ALA 43 0.279 13.391 5.972 315 H TYR 44 H TYR 44 -3.166 13.126 6.381 316 HA TYR 44 HA TYR 44 -2.963 15.985 6.089 317 HB2 TYR 44 HB2 TYR 44 -3.910 14.029 4.520 318 HB3 TYR 44 HB3 TYR 44 -5.340 14.133 5.527 319 HD1 TYR 44 HD2 TYR 44 -6.718 16.214 5.540 320 HD2 TYR 44 HD1 TYR 44 -3.420 15.709 2.862 321 HE1 TYR 44 HE2 TYR 44 -7.585 18.122 4.100 322 HE2 TYR 44 HE1 TYR 44 -4.298 17.618 1.431 323 HH TYR 44 HH TYR 44 -7.254 18.667 1.446 324 H ARG 45 H ARG 45 -4.725 13.605 8.090 325 HA ARG 45 HA ARG 45 -6.403 15.699 9.113 326 HB2 ARG 45 HB2 ARG 45 -6.627 12.870 8.830 327 HB3 ARG 45 HB3 ARG 45 -6.579 13.156 10.559 328 HG2 ARG 45 HG2 ARG 45 -8.710 13.930 10.539 329 HG3 ARG 45 HG3 ARG 45 -8.294 15.156 9.358 330 HD2 ARG 45 HD2 ARG 45 -9.878 13.931 8.149 331 HD3 ARG 45 HD3 ARG 45 -8.406 13.134 7.630 332 HE ARG 45 HE ARG 45 -9.300 11.820 9.994 333 HH11 ARG 45 HH22 ARG 45 -10.327 12.280 6.660 334 HH12 ARG 45 HH21 ARG 45 -11.189 10.779 6.584 335 HH21 ARG 45 HH12 ARG 45 -10.437 9.840 9.895 336 HH22 ARG 45 HH11 ARG 45 -11.252 9.383 8.437 337 H VAL 46 H VAL 46 -4.587 13.016 10.775 338 HA VAL 46 HA VAL 46 -4.218 14.573 13.106 339 HB VAL 46 HB VAL 46 -3.045 11.965 12.134 340 HG11 VAL 46 HG11 VAL 46 -1.616 13.256 13.828 341 HG12 VAL 46 HG12 VAL 46 -2.936 12.965 14.986 342 HG13 VAL 46 HG13 VAL 46 -2.077 11.590 14.252 343 HG21 VAL 46 HG21 VAL 46 -5.577 12.293 12.697 344 HG22 VAL 46 HG22 VAL 46 -4.706 10.881 13.343 345 HG23 VAL 46 HG23 VAL 46 -5.015 12.290 14.386 346 H SER 47 H SER 47 -3.171 16.528 12.583 347 HA SER 47 HA SER 47 -1.375 17.777 12.524 348 HB2 SER 47 HB2 SER 47 0.384 15.378 11.891 349 HB3 SER 47 HB3 SER 47 0.873 16.905 12.598 350 HG SER 47 HG SER 47 0.281 14.741 13.942 351 H ASN 48 H ASN 48 0.531 18.368 10.821 352 HA ASN 48 HA ASN 48 -0.652 17.825 8.217 353 HB2 ASN 48 HB2 ASN 48 0.895 20.197 9.346 354 HB3 ASN 48 HB3 ASN 48 0.765 19.969 7.613 355 HD21 ASN 48 HD21 ASN 48 -0.244 22.164 9.038 356 HD22 ASN 48 HD22 ASN 48 -1.970 22.199 8.901 357 H ASP 49 H ASP 49 0.963 17.643 6.370 358 HA ASP 49 HA ASP 49 3.689 17.488 6.868 359 HB2 ASP 49 HB2 ASP 49 3.084 15.407 8.081 360 HB3 ASP 49 HB3 ASP 49 2.216 14.818 6.677 361 H LYS 50 H LYS 50 2.585 18.871 4.915 362 HA LYS 50 HA LYS 50 2.508 19.204 2.734 363 HB2 LYS 50 HB2 LYS 50 3.920 16.526 2.566 364 HB3 LYS 50 HB3 LYS 50 3.676 17.605 1.207 365 HG2 LYS 50 HG2 LYS 50 4.982 19.375 2.291 366 HG3 LYS 50 HG3 LYS 50 5.083 18.455 3.780 367 HD2 LYS 50 HD2 LYS 50 6.230 16.602 2.321 368 HD3 LYS 50 HD3 LYS 50 6.425 17.860 1.117 369 HE2 LYS 50 HE2 LYS 50 8.189 18.748 2.237 370 HE3 LYS 50 HE3 LYS 50 7.245 18.898 3.706 371 HZ1 LYS 50 HZ1 LYS 50 8.226 17.118 4.523 372 HZ2 LYS 50 HZ2 LYS 50 7.924 16.209 3.200 373 HZ3 LYS 50 HZ3 LYS 50 9.264 17.140 3.262 374 H ARG 51 H ARG 51 2.035 15.609 2.731 375 HA ARG 51 HA ARG 51 -0.716 15.739 2.701 376 HB2 ARG 51 HB2 ARG 51 0.558 16.259 0.100 377 HB3 ARG 51 HB3 ARG 51 -0.457 14.833 0.026 378 HG2 ARG 51 HG2 ARG 51 -2.392 16.041 0.252 379 HG3 ARG 51 HG3 ARG 51 -1.719 17.072 1.500 380 HD2 ARG 51 HD2 ARG 51 -0.294 18.064 -0.552 381 HD3 ARG 51 HD3 ARG 51 -1.615 17.411 -1.501 382 HE ARG 51 HE ARG 51 -2.551 18.963 0.790 383 HH11 ARG 51 HH22 ARG 51 -1.428 19.174 -2.538 384 HH12 ARG 51 HH21 ARG 51 -2.223 20.683 -2.845 385 HH21 ARG 51 HH12 ARG 51 -3.600 20.953 0.385 386 HH22 ARG 51 HH11 ARG 51 -3.466 21.701 -1.171 387 H ASP 52 H ASP 52 1.695 13.978 0.604 388 HA ASP 52 HA ASP 52 2.018 11.833 2.264 389 HB2 ASP 52 HB2 ASP 52 -0.307 11.236 1.996 390 HB3 ASP 52 HB3 ASP 52 -0.264 11.545 0.271 391 H VAL 53 H VAL 53 4.142 11.808 1.393 392 HA VAL 53 HA VAL 53 4.343 10.874 -1.358 393 HB VAL 53 HB VAL 53 5.902 13.228 -0.272 394 HG11 VAL 53 HG11 VAL 53 6.787 11.467 -2.113 395 HG12 VAL 53 HG12 VAL 53 5.869 12.565 -3.172 396 HG13 VAL 53 HG13 VAL 53 7.181 13.202 -2.152 397 HG21 VAL 53 HG21 VAL 53 3.448 13.044 -1.993 398 HG22 VAL 53 HG22 VAL 53 3.847 14.194 -0.694 399 HG23 VAL 53 HG23 VAL 53 4.626 14.346 -2.288 400 H LYS 54 H LYS 54 6.496 12.015 1.346 401 HA LYS 54 HA LYS 54 8.264 9.830 0.924 402 HB2 LYS 54 HB2 LYS 54 8.918 12.113 1.729 403 HB3 LYS 54 HB3 LYS 54 8.131 11.764 3.255 404 HG2 LYS 54 HG2 LYS 54 10.230 11.009 3.832 405 HG3 LYS 54 HG3 LYS 54 9.664 9.531 3.079 406 HD2 LYS 54 HD2 LYS 54 11.248 9.685 1.464 407 HD3 LYS 54 HD3 LYS 54 10.685 11.280 1.006 408 HE2 LYS 54 HE2 LYS 54 12.002 11.939 3.301 409 HE3 LYS 54 HE3 LYS 54 12.920 10.513 2.858 410 HZ1 LYS 54 HZ1 LYS 54 13.592 12.759 1.906 411 HZ2 LYS 54 HZ2 LYS 54 13.577 11.475 0.896 412 HZ3 LYS 54 HZ3 LYS 54 12.357 12.560 0.857 413 H VAL 55 H VAL 55 5.672 10.639 3.296 414 HA VAL 55 HA VAL 55 5.994 8.702 5.136 415 HB VAL 55 HB VAL 55 4.263 10.174 5.492 416 HG11 VAL 55 HG11 VAL 55 2.353 9.790 3.414 417 HG12 VAL 55 HG12 VAL 55 3.298 11.250 3.795 418 HG13 VAL 55 HG13 VAL 55 3.938 10.050 2.647 419 HG21 VAL 55 HG21 VAL 55 3.694 7.541 5.656 420 HG22 VAL 55 HG22 VAL 55 2.561 8.821 6.151 421 HG23 VAL 55 HG23 VAL 55 2.398 8.058 4.551 422 H SER 56 H SER 56 4.323 8.320 1.936 423 HA SER 56 HA SER 56 3.582 5.740 2.188 424 HB2 SER 56 HB2 SER 56 3.008 7.169 0.260 425 HB3 SER 56 HB3 SER 56 4.673 7.152 -0.285 426 HG SER 56 HG SER 56 2.823 4.934 -0.184 427 H LEU 57 H LEU 57 6.783 7.038 1.087 428 HA LEU 57 HA LEU 57 7.952 4.598 0.483 429 HB2 LEU 57 HB2 LEU 57 8.762 6.891 -0.095 430 HB3 LEU 57 HB3 LEU 57 9.303 7.074 1.562 431 HG LEU 57 HG LEU 57 10.325 4.629 0.316 432 HD11 LEU 57 HD11 LEU 57 10.338 5.792 -1.744 433 HD12 LEU 57 HD12 LEU 57 10.908 7.296 -0.981 434 HD13 LEU 57 HD13 LEU 57 11.996 5.894 -1.106 435 HD21 LEU 57 HD21 LEU 57 11.190 5.415 2.415 436 HD22 LEU 57 HD22 LEU 57 12.473 5.540 1.186 437 HD23 LEU 57 HD23 LEU 57 11.597 6.998 1.710 438 H PHE 58 H PHE 58 7.513 6.324 3.594 439 HA PHE 58 HA PHE 58 9.179 4.519 5.029 440 HB2 PHE 58 HB2 PHE 58 8.889 6.670 6.019 441 HB3 PHE 58 HB3 PHE 58 7.211 6.774 5.523 442 HD1 PHE 58 HD1 PHE 58 9.512 5.480 8.062 443 HD2 PHE 58 HD2 PHE 58 5.448 5.837 6.893 444 HE1 PHE 58 HE1 PHE 58 8.789 4.808 10.370 445 HE2 PHE 58 HE2 PHE 58 4.726 5.165 9.201 446 HZ PHE 58 HZ PHE 58 6.405 4.658 10.912 447 H THR 59 H THR 59 5.869 4.492 3.879 448 HA THR 59 HA THR 59 4.902 2.688 5.892 449 HB THR 59 HB THR 59 3.876 3.824 3.252 450 HG1 THR 59 HG1 THR 59 4.012 4.968 5.439 451 HG21 THR 59 HG21 THR 59 2.996 1.380 4.507 452 HG22 THR 59 HG22 THR 59 1.798 2.642 4.882 453 HG23 THR 59 HG23 THR 59 2.203 2.273 3.188 454 H ALA 60 H ALA 60 6.128 2.420 2.516 455 HA ALA 60 HA ALA 60 5.653 -0.399 2.467 456 HB1 ALA 60 HB1 ALA 60 5.714 0.181 0.291 457 HB2 ALA 60 HB2 ALA 60 6.502 1.735 0.659 458 HB3 ALA 60 HB3 ALA 60 7.485 0.265 0.452 459 H PHE 61 H PHE 61 8.307 1.815 3.337 460 HA PHE 61 HA PHE 61 10.352 -0.109 3.282 461 HB2 PHE 61 HB2 PHE 61 10.701 2.360 3.306 462 HB3 PHE 61 HB3 PHE 61 9.847 2.500 4.830 463 HD1 PHE 61 HD2 PHE 61 10.892 1.301 6.868 464 HD2 PHE 61 HD1 PHE 61 13.019 2.113 3.287 465 HE1 PHE 61 HE2 PHE 61 13.063 1.073 8.106 466 HE2 PHE 61 HE1 PHE 61 15.190 1.885 4.525 467 HZ PHE 61 HZ PHE 61 15.186 1.368 6.919 468 H PHE 62 H PHE 62 8.372 1.252 6.013 469 HA PHE 62 HA PHE 62 9.527 -0.453 7.930 470 HB2 PHE 62 HB2 PHE 62 8.032 1.811 7.952 471 HB3 PHE 62 HB3 PHE 62 6.700 0.678 8.062 472 HD1 PHE 62 HD2 PHE 62 10.009 1.288 9.690 473 HD2 PHE 62 HD1 PHE 62 5.957 0.122 10.169 474 HE1 PHE 62 HE2 PHE 62 10.348 1.131 12.172 475 HE2 PHE 62 HE1 PHE 62 6.296 -0.034 12.651 476 HZ PHE 62 HZ PHE 62 8.487 0.472 13.623 477 H LEU 63 H LEU 63 6.366 -0.534 6.144 478 HA LEU 63 HA LEU 63 5.376 -2.819 7.340 479 HB2 LEU 63 HB2 LEU 63 4.183 -1.170 5.880 480 HB3 LEU 63 HB3 LEU 63 4.941 -1.922 4.490 481 HG LEU 63 HG LEU 63 3.789 -4.075 5.813 482 HD11 LEU 63 HD11 LEU 63 1.328 -2.787 5.738 483 HD12 LEU 63 HD12 LEU 63 2.215 -3.313 7.189 484 HD13 LEU 63 HD13 LEU 63 2.391 -1.644 6.594 485 HD21 LEU 63 HD21 LEU 63 2.421 -2.509 3.621 486 HD22 LEU 63 HD22 LEU 63 3.896 -3.468 3.347 487 HD23 LEU 63 HD23 LEU 63 2.408 -4.266 3.912 488 H ALA 64 H ALA 64 7.199 -2.525 4.206 489 HA ALA 64 HA ALA 64 7.367 -5.202 3.650 490 HB1 ALA 64 HB1 ALA 64 8.019 -3.396 2.115 491 HB2 ALA 64 HB2 ALA 64 9.407 -2.995 3.155 492 HB3 ALA 64 HB3 ALA 64 9.352 -4.560 2.308 493 H THR 65 H THR 65 9.652 -3.156 5.593 494 HA THR 65 HA THR 65 11.451 -5.181 6.208 495 HB THR 65 HB THR 65 10.583 -2.645 7.688 496 HG1 THR 65 HG1 THR 65 12.836 -3.450 5.984 497 HG21 THR 65 HG21 THR 65 12.352 -2.897 9.158 498 HG22 THR 65 HG22 THR 65 12.115 -4.632 8.840 499 HG23 THR 65 HG23 THR 65 13.358 -3.726 7.946 500 H ILE 66 H ILE 66 8.229 -4.484 7.510 501 HA ILE 66 HA ILE 66 8.613 -6.156 9.798 502 HB ILE 66 HB ILE 66 6.272 -4.742 8.553 503 HG12 ILE 66 HG12 ILE 66 7.461 -4.418 11.313 504 HG13 ILE 66 HG13 ILE 66 8.091 -3.559 9.921 505 HG21 ILE 66 HG21 ILE 66 5.414 -5.641 11.037 506 HG22 ILE 66 HG22 ILE 66 4.880 -6.231 9.445 507 HG23 ILE 66 HG23 ILE 66 6.196 -7.063 10.307 508 HD11 ILE 66 HD11 ILE 66 6.491 -2.075 10.894 509 HD12 ILE 66 HD12 ILE 66 5.661 -2.778 9.485 510 HD13 ILE 66 HD13 ILE 66 5.302 -3.380 11.121 511 H MET 67 H MET 67 7.571 -6.522 6.431 512 HA MET 67 HA MET 67 6.464 -9.111 6.960 513 HB2 MET 67 HB2 MET 67 6.000 -7.171 5.056 514 HB3 MET 67 HB3 MET 67 7.095 -8.204 4.158 515 HG2 MET 67 HG2 MET 67 5.337 -9.570 3.705 516 HG3 MET 67 HG3 MET 67 5.292 -10.002 5.403 517 HE1 MET 67 HE1 MET 67 2.093 -10.090 5.099 518 HE2 MET 67 HE2 MET 67 3.452 -10.271 6.234 519 HE3 MET 67 HE3 MET 67 2.169 -9.082 6.564 520 H GLY 68 H GLY 68 9.179 -7.797 4.916 521 HA2 GLY 68 HA2 GLY 68 11.012 -9.784 5.745 522 HA3 GLY 68 HA3 GLY 68 10.293 -10.249 4.216 523 H VAL 69 H VAL 69 13.103 -9.346 4.927 524 HA VAL 69 HA VAL 69 13.307 -7.396 2.783 525 HB VAL 69 HB VAL 69 13.187 -5.940 4.636 526 HG11 VAL 69 HG11 VAL 69 13.446 -7.489 6.469 527 HG12 VAL 69 HG12 VAL 69 15.145 -7.792 6.033 528 HG13 VAL 69 HG13 VAL 69 14.654 -6.194 6.644 529 HG21 VAL 69 HG21 VAL 69 15.484 -6.145 3.055 530 HG22 VAL 69 HG22 VAL 69 14.951 -4.728 3.992 531 HG23 VAL 69 HG23 VAL 69 16.096 -5.889 4.707 532 H ARG 70 H ARG 70 13.825 -9.916 2.240 533 HA ARG 70 HA ARG 70 16.668 -9.910 2.046 534 HB2 ARG 70 HB2 ARG 70 15.516 -11.376 4.159 535 HB3 ARG 70 HB3 ARG 70 15.773 -12.588 2.920 536 HG2 ARG 70 HG2 ARG 70 18.082 -12.402 3.006 537 HG3 ARG 70 HG3 ARG 70 18.042 -10.684 3.354 538 HD2 ARG 70 HD2 ARG 70 18.479 -11.203 5.525 539 HD3 ARG 70 HD3 ARG 70 16.852 -11.847 5.630 540 HE ARG 70 HE ARG 70 19.340 -13.398 5.338 541 HH11 ARG 70 HH22 ARG 70 15.829 -13.433 5.116 542 HH12 ARG 70 HH21 ARG 70 15.708 -15.153 5.279 543 HH21 ARG 70 HH12 ARG 70 19.182 -15.668 5.553 544 HH22 ARG 70 HH11 ARG 70 17.628 -16.433 5.529 545 H PHE 71 H PHE 71 13.678 -11.958 1.694 546 HA PHE 71 HA PHE 71 14.689 -12.956 -0.835 547 HB2 PHE 71 HB2 PHE 71 12.602 -13.583 1.238 548 HB3 PHE 71 HB3 PHE 71 12.105 -13.942 -0.404 549 HD1 PHE 71 HD2 PHE 71 14.797 -14.614 2.065 550 HD2 PHE 71 HD1 PHE 71 12.811 -15.912 -1.454 551 HE1 PHE 71 HE2 PHE 71 16.046 -16.789 2.162 552 HE2 PHE 71 HE1 PHE 71 14.061 -18.086 -1.357 553 HZ PHE 71 HZ PHE 71 15.663 -18.499 0.449 554 H LYS 72 H LYS 72 14.574 -11.084 -2.192 555 HA LYS 72 HA LYS 72 11.903 -9.949 -2.522 556 HB2 LYS 72 HB2 LYS 72 13.611 -8.312 -2.131 557 HB3 LYS 72 HB3 LYS 72 14.657 -9.008 -3.351 558 HG2 LYS 72 HG2 LYS 72 11.996 -8.349 -4.435 559 HG3 LYS 72 HG3 LYS 72 12.783 -6.945 -3.742 560 HD2 LYS 72 HD2 LYS 72 14.889 -7.660 -5.090 561 HD3 LYS 72 HD3 LYS 72 13.833 -8.764 -5.948 562 HE2 LYS 72 HE2 LYS 72 12.373 -6.863 -6.633 563 HE3 LYS 72 HE3 LYS 72 13.385 -5.747 -5.737 564 HZ1 LYS 72 HZ1 LYS 72 15.237 -6.703 -7.184 565 HZ2 LYS 72 HZ2 LYS 72 14.039 -7.235 -8.158 566 HZ3 LYS 72 HZ3 LYS 72 14.201 -5.637 -7.860 567 H ARG 73 H ARG 73 14.606 -10.526 -4.860 568 HA ARG 73 HA ARG 73 12.830 -11.060 -6.913 569 HB2 ARG 73 HB2 ARG 73 14.982 -12.049 -8.021 570 HB3 ARG 73 HB3 ARG 73 15.004 -10.356 -7.570 571 HG2 ARG 73 HG2 ARG 73 16.516 -10.681 -5.847 572 HG3 ARG 73 HG3 ARG 73 15.878 -12.260 -5.435 573 HD2 ARG 73 HD2 ARG 73 17.211 -13.371 -6.997 574 HD3 ARG 73 HD3 ARG 73 17.235 -12.016 -8.108 575 HE ARG 73 HE ARG 73 18.614 -11.187 -5.769 576 HH11 ARG 73 HH22 ARG 73 18.989 -13.557 -8.343 577 HH12 ARG 73 HH21 ARG 73 20.719 -13.571 -8.252 578 HH21 ARG 73 HH12 ARG 73 20.896 -11.205 -5.649 579 HH22 ARG 73 HH11 ARG 73 21.811 -12.224 -6.709 580 H SER 74 H SER 74 11.668 -12.906 -7.380 581 HA SER 74 HA SER 74 12.767 -15.446 -7.123 582 HB2 SER 74 HB2 SER 74 11.947 -14.554 -4.656 583 HB3 SER 74 HB3 SER 74 10.473 -15.315 -5.221 584 HG SER 74 HG SER 74 13.079 -16.510 -4.879 585 H LYS 75 H LYS 75 10.824 -17.173 -7.374 586 HA LYS 75 HA LYS 75 9.091 -16.017 -9.411 587 HB2 LYS 75 HB2 LYS 75 10.237 -18.714 -8.854 588 HB3 LYS 75 HB3 LYS 75 8.664 -18.660 -9.623 589 HG2 LYS 75 HG2 LYS 75 9.737 -18.299 -11.590 590 HG3 LYS 75 HG3 LYS 75 10.130 -16.696 -11.002 591 HD2 LYS 75 HD2 LYS 75 12.327 -17.228 -10.667 592 HD3 LYS 75 HD3 LYS 75 11.935 -18.753 -9.898 593 HE2 LYS 75 HE2 LYS 75 11.261 -19.420 -12.435 594 HE3 LYS 75 HE3 LYS 75 12.421 -18.161 -12.810 595 HZ1 LYS 75 HZ1 LYS 75 14.042 -19.303 -11.498 596 HZ2 LYS 75 HZ2 LYS 75 12.965 -20.439 -11.035 597 HZ3 LYS 75 HZ3 LYS 75 13.430 -20.343 -12.597 598 H LYS 76 H LYS 76 8.416 -15.157 -6.858 599 HA LYS 76 HA LYS 76 5.879 -16.562 -6.522 600 HB2 LYS 76 HB2 LYS 76 7.976 -16.932 -4.746 601 HB3 LYS 76 HB3 LYS 76 7.034 -15.669 -3.980 602 HG2 LYS 76 HG2 LYS 76 5.598 -17.272 -3.266 603 HG3 LYS 76 HG3 LYS 76 5.093 -17.484 -4.930 604 HD2 LYS 76 HD2 LYS 76 7.255 -19.021 -5.102 605 HD3 LYS 76 HD3 LYS 76 7.132 -19.078 -3.355 606 HE2 LYS 76 HE2 LYS 76 4.953 -20.091 -3.424 607 HE3 LYS 76 HE3 LYS 76 4.719 -19.674 -5.110 608 HZ1 LYS 76 HZ1 LYS 76 6.208 -21.288 -5.770 609 HZ2 LYS 76 HZ2 LYS 76 6.915 -21.426 -4.305 610 HZ3 LYS 76 HZ3 LYS 76 5.414 -22.023 -4.547 611 H ILE 77 H ILE 77 4.237 -15.187 -5.405 612 HA ILE 77 HA ILE 77 4.770 -12.377 -6.049 613 HB ILE 77 HB ILE 77 2.325 -12.169 -6.197 614 HG12 ILE 77 HG12 ILE 77 1.628 -14.941 -6.470 615 HG13 ILE 77 HG13 ILE 77 2.350 -14.698 -4.891 616 HG21 ILE 77 HG21 ILE 77 3.764 -14.152 -7.955 617 HG22 ILE 77 HG22 ILE 77 2.091 -13.639 -8.283 618 HG23 ILE 77 HG23 ILE 77 3.402 -12.436 -8.259 619 HD11 ILE 77 HD11 ILE 77 0.371 -12.630 -5.802 620 HD12 ILE 77 HD12 ILE 77 -0.265 -14.233 -5.357 621 HD13 ILE 77 HD13 ILE 77 0.662 -13.283 -4.171 622 H MET 78 H MET 78 5.002 -10.956 -4.409 623 HA MET 78 HA MET 78 3.455 -10.703 -2.256 624 HB2 MET 78 HB2 MET 78 5.137 -13.068 -1.981 625 HB3 MET 78 HB3 MET 78 5.644 -11.892 -0.785 626 HG2 MET 78 HG2 MET 78 2.704 -12.594 -1.177 627 HG3 MET 78 HG3 MET 78 3.737 -13.534 -0.118 628 HE1 MET 78 HE1 MET 78 2.763 -12.262 2.828 629 HE2 MET 78 HE2 MET 78 3.738 -13.394 1.860 630 HE3 MET 78 HE3 MET 78 4.524 -12.035 2.699 631 HA PRO 79 HA PRO 79 7.692 -8.683 -1.560 632 HB2 PRO 79 HB2 PRO 79 9.819 -9.384 -3.126 633 HB3 PRO 79 HB3 PRO 79 9.524 -10.076 -1.543 634 HG2 PRO 79 HG2 PRO 79 9.100 -11.290 -4.205 635 HG3 PRO 79 HG3 PRO 79 9.222 -12.079 -2.645 636 HD2 PRO 79 HD2 PRO 79 6.822 -11.585 -4.136 637 HD3 PRO 79 HD3 PRO 79 6.933 -12.269 -2.526 638 H ALA 80 H ALA 80 7.717 -9.494 -5.005 639 HA ALA 80 HA ALA 80 8.355 -6.921 -5.840 640 HB1 ALA 80 HB1 ALA 80 6.589 -8.643 -7.534 641 HB2 ALA 80 HB2 ALA 80 8.104 -7.804 -7.946 642 HB3 ALA 80 HB3 ALA 80 8.152 -9.327 -7.026 643 H GLY 81 H GLY 81 5.153 -8.556 -5.385 644 HA2 GLY 81 HA2 GLY 81 3.400 -6.757 -6.331 645 HA3 GLY 81 HA3 GLY 81 3.157 -7.635 -4.834 646 H LEU 82 H LEU 82 4.974 -6.563 -3.054 647 HA LEU 82 HA LEU 82 3.753 -4.293 -2.167 648 HB2 LEU 82 HB2 LEU 82 5.467 -5.931 -1.093 649 HB3 LEU 82 HB3 LEU 82 6.668 -4.793 -1.671 650 HG LEU 82 HG LEU 82 6.293 -4.140 0.530 651 HD11 LEU 82 HD11 LEU 82 5.486 -1.943 0.415 652 HD12 LEU 82 HD12 LEU 82 6.044 -2.305 -1.236 653 HD13 LEU 82 HD13 LEU 82 4.306 -2.343 -0.856 654 HD21 LEU 82 HD21 LEU 82 4.487 -5.398 1.270 655 HD22 LEU 82 HD22 LEU 82 3.878 -3.729 1.366 656 HD23 LEU 82 HD23 LEU 82 3.399 -4.774 0.008 657 H VAL 83 H VAL 83 6.750 -4.551 -4.190 658 HA VAL 83 HA VAL 83 7.228 -1.825 -4.363 659 HB VAL 83 HB VAL 83 7.815 -4.101 -6.262 660 HG11 VAL 83 HG11 VAL 83 9.110 -1.356 -6.214 661 HG12 VAL 83 HG12 VAL 83 9.449 -2.692 -7.341 662 HG13 VAL 83 HG13 VAL 83 7.872 -1.866 -7.387 663 HG21 VAL 83 HG21 VAL 83 9.764 -4.467 -5.110 664 HG22 VAL 83 HG22 VAL 83 9.881 -2.783 -4.546 665 HG23 VAL 83 HG23 VAL 83 8.733 -3.902 -3.773 666 H ALA 84 H ALA 84 5.003 -3.979 -6.161 667 HA ALA 84 HA ALA 84 4.376 -2.115 -8.178 668 HB1 ALA 84 HB1 ALA 84 3.741 -4.793 -7.453 669 HB2 ALA 84 HB2 ALA 84 2.198 -3.918 -7.595 670 HB3 ALA 84 HB3 ALA 84 3.336 -3.943 -8.963 671 H GLY 85 H GLY 85 3.334 -2.599 -4.820 672 HA2 GLY 85 HA2 GLY 85 0.940 -1.057 -5.010 673 HA3 GLY 85 HA3 GLY 85 1.777 -1.560 -3.555 674 H LEU 86 H LEU 86 4.302 -0.410 -3.782 675 HA LEU 86 HA LEU 86 3.824 2.198 -2.977 676 HB2 LEU 86 HB2 LEU 86 5.750 1.197 -2.179 677 HB3 LEU 86 HB3 LEU 86 6.246 0.626 -3.759 678 HG LEU 86 HG LEU 86 6.142 3.580 -3.352 679 HD11 LEU 86 HD11 LEU 86 8.118 3.756 -2.116 680 HD12 LEU 86 HD12 LEU 86 7.185 2.499 -1.269 681 HD13 LEU 86 HD13 LEU 86 8.528 2.039 -2.343 682 HD21 LEU 86 HD21 LEU 86 7.816 3.646 -4.964 683 HD22 LEU 86 HD22 LEU 86 8.335 1.974 -4.644 684 HD23 LEU 86 HD23 LEU 86 6.799 2.282 -5.489 685 H SER 87 H SER 87 4.916 0.873 -6.159 686 HA SER 87 HA SER 87 5.304 3.322 -7.357 687 HB2 SER 87 HB2 SER 87 5.137 0.521 -8.153 688 HB3 SER 87 HB3 SER 87 4.364 1.532 -9.357 689 HG SER 87 HG SER 87 6.304 2.104 -10.030 690 H LEU 88 H LEU 88 2.427 1.093 -7.513 691 HA LEU 88 HA LEU 88 0.773 2.544 -9.065 692 HB2 LEU 88 HB2 LEU 88 0.525 0.515 -7.013 693 HB3 LEU 88 HB3 LEU 88 -0.854 1.598 -6.994 694 HG LEU 88 HG LEU 88 -0.082 0.673 -9.688 695 HD11 LEU 88 HD11 LEU 88 0.445 -1.340 -8.351 696 HD12 LEU 88 HD12 LEU 88 -1.218 -1.329 -7.717 697 HD13 LEU 88 HD13 LEU 88 -0.930 -1.579 -9.456 698 HD21 LEU 88 HD21 LEU 88 -2.370 1.685 -8.331 699 HD22 LEU 88 HD22 LEU 88 -2.163 1.334 -10.064 700 HD23 LEU 88 HD23 LEU 88 -2.777 0.073 -8.968 701 H MET 89 H MET 89 1.344 3.018 -5.522 702 HA MET 89 HA MET 89 -0.480 5.083 -5.258 703 HB2 MET 89 HB2 MET 89 1.982 4.118 -3.766 704 HB3 MET 89 HB3 MET 89 1.279 5.650 -3.285 705 HG2 MET 89 HG2 MET 89 -0.593 3.309 -3.627 706 HG3 MET 89 HG3 MET 89 0.456 3.307 -2.224 707 HE1 MET 89 HE1 MET 89 -2.540 3.248 -2.415 708 HE2 MET 89 HE2 MET 89 -2.186 3.585 -0.703 709 HE3 MET 89 HE3 MET 89 -3.347 4.603 -1.590 710 H MET 90 H MET 90 3.062 5.090 -5.996 711 HA MET 90 HA MET 90 3.524 7.754 -5.838 712 HB2 MET 90 HB2 MET 90 4.721 5.392 -7.071 713 HB3 MET 90 HB3 MET 90 4.902 6.748 -8.165 714 HG2 MET 90 HG2 MET 90 5.538 7.198 -5.248 715 HG3 MET 90 HG3 MET 90 6.683 6.277 -6.202 716 HE1 MET 90 HE1 MET 90 5.735 9.393 -4.892 717 HE2 MET 90 HE2 MET 90 6.189 10.692 -6.022 718 HE3 MET 90 HE3 MET 90 4.652 9.820 -6.238 719 H ILE 91 H ILE 91 2.663 5.949 -8.885 720 HA ILE 91 HA ILE 91 2.405 8.165 -10.495 721 HB ILE 91 HB ILE 91 0.973 6.698 -11.894 722 HG12 ILE 91 HG12 ILE 91 1.288 4.731 -9.607 723 HG13 ILE 91 HG13 ILE 91 -0.203 5.516 -10.086 724 HG21 ILE 91 HG21 ILE 91 3.706 6.350 -11.111 725 HG22 ILE 91 HG22 ILE 91 2.997 4.760 -11.482 726 HG23 ILE 91 HG23 ILE 91 2.940 6.064 -12.692 727 HD11 ILE 91 HD11 ILE 91 1.270 4.109 -12.276 728 HD12 ILE 91 HD12 ILE 91 0.557 3.074 -11.016 729 HD13 ILE 91 HD13 ILE 91 -0.478 4.185 -11.946 730 H LEU 92 H LEU 92 -0.071 6.521 -8.429 731 HA LEU 92 HA LEU 92 -2.224 8.080 -9.172 732 HB2 LEU 92 HB2 LEU 92 -1.568 6.135 -7.188 733 HB3 LEU 92 HB3 LEU 92 -2.412 7.455 -6.404 734 HG LEU 92 HG LEU 92 -3.963 7.027 -8.646 735 HD11 LEU 92 HD11 LEU 92 -3.433 4.258 -7.611 736 HD12 LEU 92 HD12 LEU 92 -4.218 4.778 -9.121 737 HD13 LEU 92 HD13 LEU 92 -2.454 4.928 -8.938 738 HD21 LEU 92 HD21 LEU 92 -4.381 7.216 -6.015 739 HD22 LEU 92 HD22 LEU 92 -5.617 6.614 -7.147 740 HD23 LEU 92 HD23 LEU 92 -4.636 5.465 -6.204 741 H ARG 93 H ARG 93 0.536 8.774 -7.039 742 HA ARG 93 HA ARG 93 -0.703 11.057 -5.924 743 HB2 ARG 93 HB2 ARG 93 1.870 9.617 -5.686 744 HB3 ARG 93 HB3 ARG 93 2.078 11.354 -5.589 745 HG2 ARG 93 HG2 ARG 93 1.529 11.089 -3.385 746 HG3 ARG 93 HG3 ARG 93 -0.123 11.034 -3.969 747 HD2 ARG 93 HD2 ARG 93 0.359 9.105 -2.476 748 HD3 ARG 93 HD3 ARG 93 -0.037 8.560 -4.094 749 HE ARG 93 HE ARG 93 2.203 7.860 -4.412 750 HH11 ARG 93 HH22 ARG 93 1.889 9.673 -1.412 751 HH12 ARG 93 HH21 ARG 93 3.455 9.223 -0.827 752 HH21 ARG 93 HH12 ARG 93 4.269 7.265 -3.639 753 HH22 ARG 93 HH11 ARG 93 4.819 7.844 -2.102 754 H LEU 94 H LEU 94 1.288 10.293 -8.760 755 HA LEU 94 HA LEU 94 2.316 12.825 -9.284 756 HB2 LEU 94 HB2 LEU 94 2.229 10.263 -10.502 757 HB3 LEU 94 HB3 LEU 94 1.716 11.427 -11.707 758 HG LEU 94 HG LEU 94 3.878 12.734 -10.832 759 HD11 LEU 94 HD11 LEU 94 4.539 11.226 -9.105 760 HD12 LEU 94 HD12 LEU 94 4.455 9.829 -10.205 761 HD13 LEU 94 HD13 LEU 94 5.711 11.069 -10.435 762 HD21 LEU 94 HD21 LEU 94 5.078 11.878 -12.729 763 HD22 LEU 94 HD22 LEU 94 4.072 10.410 -12.765 764 HD23 LEU 94 HD23 LEU 94 3.352 11.992 -13.149 765 H VAL 95 H VAL 95 -0.574 11.226 -10.815 766 HA VAL 95 HA VAL 95 -1.484 13.488 -12.101 767 HB VAL 95 HB VAL 95 -2.233 11.223 -12.560 768 HG11 VAL 95 HG11 VAL 95 -2.286 10.502 -10.138 769 HG12 VAL 95 HG12 VAL 95 -3.852 11.336 -9.999 770 HG13 VAL 95 HG13 VAL 95 -3.669 9.967 -11.122 771 HG21 VAL 95 HG21 VAL 95 -3.655 13.265 -13.088 772 HG22 VAL 95 HG22 VAL 95 -4.509 11.703 -13.039 773 HG23 VAL 95 HG23 VAL 95 -4.639 12.832 -11.669 774 H LEU 96 H LEU 96 -1.910 12.383 -8.719 775 HA LEU 96 HA LEU 96 -3.966 13.898 -7.867 776 HB2 LEU 96 HB2 LEU 96 -1.891 12.443 -6.728 777 HB3 LEU 96 HB3 LEU 96 -1.714 14.040 -6.030 778 HG LEU 96 HG LEU 96 -3.122 12.383 -4.735 779 HD11 LEU 96 HD11 LEU 96 -3.758 15.187 -5.386 780 HD12 LEU 96 HD12 LEU 96 -5.082 14.269 -4.629 781 HD13 LEU 96 HD13 LEU 96 -3.504 14.393 -3.813 782 HD21 LEU 96 HD21 LEU 96 -5.389 13.029 -6.589 783 HD22 LEU 96 HD22 LEU 96 -4.302 11.669 -6.962 784 HD23 LEU 96 HD23 LEU 96 -5.205 11.692 -5.428 785 H LEU 97 H LEU 97 -0.555 14.999 -8.362 786 HA LEU 97 HA LEU 97 -0.643 17.495 -7.399 787 HB2 LEU 97 HB2 LEU 97 0.972 16.042 -9.124 788 HB3 LEU 97 HB3 LEU 97 0.525 17.448 -10.069 789 HG LEU 97 HG LEU 97 1.674 17.649 -7.277 790 HD11 LEU 97 HD11 LEU 97 3.773 17.398 -8.003 791 HD12 LEU 97 HD12 LEU 97 3.045 16.598 -9.417 792 HD13 LEU 97 HD13 LEU 97 3.472 18.325 -9.492 793 HD21 LEU 97 HD21 LEU 97 1.649 19.721 -9.479 794 HD22 LEU 97 HD22 LEU 97 0.373 19.585 -8.246 795 HD23 LEU 97 HD23 LEU 97 2.048 19.940 -7.758 796 H LEU 98 H LEU 98 -2.283 16.283 -10.338 797 HA LEU 98 HA LEU 98 -3.044 18.853 -11.251 798 HB2 LEU 98 HB2 LEU 98 -2.907 16.451 -12.388 799 HB3 LEU 98 HB3 LEU 98 -4.600 16.410 -11.938 800 HG LEU 98 HG LEU 98 -4.917 18.579 -13.170 801 HD11 LEU 98 HD11 LEU 98 -2.004 18.219 -13.581 802 HD12 LEU 98 HD12 LEU 98 -2.943 18.757 -14.994 803 HD13 LEU 98 HD13 LEU 98 -2.984 19.702 -13.486 804 HD21 LEU 98 HD21 LEU 98 -5.395 16.268 -14.089 805 HD22 LEU 98 HD22 LEU 98 -5.149 17.557 -15.291 806 HD23 LEU 98 HD23 LEU 98 -3.847 16.390 -14.959 807 H LEU 99 H LEU 99 -4.745 16.233 -9.408 808 HA LEU 99 HA LEU 99 -7.170 17.469 -9.139 809 HB2 LEU 99 HB2 LEU 99 -6.690 15.167 -8.517 810 HB3 LEU 99 HB3 LEU 99 -5.695 15.707 -7.179 811 HG LEU 99 HG LEU 99 -8.236 16.932 -6.845 812 HD11 LEU 99 HD11 LEU 99 -9.770 15.071 -6.784 813 HD12 LEU 99 HD12 LEU 99 -9.093 15.225 -8.423 814 HD13 LEU 99 HD13 LEU 99 -8.497 13.953 -7.329 815 HD21 LEU 99 HD21 LEU 99 -6.898 14.635 -5.390 816 HD22 LEU 99 HD22 LEU 99 -6.720 16.372 -5.041 817 HD23 LEU 99 HD23 LEU 99 -8.289 15.570 -4.788 Start of MODEL 16 1 H MET 1 H1 MET 1 -11.672 2.025 -30.450 2 HA MET 1 HA MET 1 -12.909 -0.008 -29.260 3 HB2 MET 1 HB2 MET 1 -10.437 0.322 -27.933 4 HB3 MET 1 HB3 MET 1 -11.564 1.154 -26.881 5 HG2 MET 1 HG2 MET 1 -12.968 -1.172 -27.497 6 HG3 MET 1 HG3 MET 1 -11.314 -1.750 -27.454 7 HE1 MET 1 HE1 MET 1 -10.780 -2.889 -25.829 8 HE2 MET 1 HE2 MET 1 -9.877 -1.804 -24.745 9 HE3 MET 1 HE3 MET 1 -11.212 -2.793 -24.105 10 H ASP 2 H ASP 2 -14.775 1.190 -29.589 11 HA ASP 2 HA ASP 2 -15.081 3.442 -27.798 12 HB2 ASP 2 HB2 ASP 2 -14.714 3.738 -30.591 13 HB3 ASP 2 HB3 ASP 2 -16.445 3.890 -30.363 14 H LEU 3 H LEU 3 -16.957 3.000 -26.631 15 HA LEU 3 HA LEU 3 -19.374 2.330 -27.879 16 HB2 LEU 3 HB2 LEU 3 -18.121 0.161 -28.120 17 HB3 LEU 3 HB3 LEU 3 -18.129 0.031 -26.373 18 HG LEU 3 HG LEU 3 -20.672 0.169 -26.494 19 HD11 LEU 3 HD11 LEU 3 -20.870 -0.901 -29.163 20 HD12 LEU 3 HD12 LEU 3 -21.723 0.475 -28.423 21 HD13 LEU 3 HD13 LEU 3 -20.141 0.722 -29.201 22 HD21 LEU 3 HD21 LEU 3 -20.800 -2.096 -26.463 23 HD22 LEU 3 HD22 LEU 3 -19.846 -2.289 -27.953 24 HD23 LEU 3 HD23 LEU 3 -19.028 -1.939 -26.412 25 H ILE 4 H ILE 4 -20.767 3.439 -26.626 26 HA ILE 4 HA ILE 4 -20.162 3.525 -23.753 27 HB ILE 4 HB ILE 4 -21.354 5.665 -23.732 28 HG12 ILE 4 HG12 ILE 4 -21.277 6.287 -26.539 29 HG13 ILE 4 HG13 ILE 4 -22.246 4.846 -26.303 30 HG21 ILE 4 HG21 ILE 4 -19.285 6.044 -25.842 31 HG22 ILE 4 HG22 ILE 4 -19.505 6.869 -24.281 32 HG23 ILE 4 HG23 ILE 4 -18.792 5.239 -24.333 33 HD11 ILE 4 HD11 ILE 4 -22.735 7.640 -25.366 34 HD12 ILE 4 HD12 ILE 4 -23.897 6.382 -25.850 35 HD13 ILE 4 HD13 ILE 4 -23.177 6.349 -24.222 36 H GLY 5 H GLY 5 -22.049 3.538 -22.288 37 HA2 GLY 5 HA2 GLY 5 -24.655 2.964 -23.185 38 HA3 GLY 5 HA3 GLY 5 -23.829 1.456 -22.849 39 H PHE 6 H PHE 6 -25.975 3.440 -21.478 40 HA PHE 6 HA PHE 6 -24.808 3.984 -18.955 41 HB2 PHE 6 HB2 PHE 6 -27.464 4.064 -20.374 42 HB3 PHE 6 HB3 PHE 6 -27.580 3.915 -18.631 43 HD1 PHE 6 HD1 PHE 6 -25.748 5.952 -21.173 44 HD2 PHE 6 HD2 PHE 6 -27.681 5.857 -17.397 45 HE1 PHE 6 HE1 PHE 6 -25.412 8.429 -20.939 46 HE2 PHE 6 HE2 PHE 6 -27.345 8.334 -17.163 47 HZ PHE 6 HZ PHE 6 -26.214 9.590 -18.936 48 H GLY 7 H GLY 7 -27.255 1.543 -20.094 49 HA2 GLY 7 HA2 GLY 7 -27.859 0.183 -17.885 50 HA3 GLY 7 HA3 GLY 7 -27.522 -0.610 -19.411 51 H TYR 8 H TYR 8 -24.865 -0.524 -19.839 52 HA TYR 8 HA TYR 8 -23.795 -2.457 -18.257 53 HB2 TYR 8 HB2 TYR 8 -22.949 -0.316 -20.164 54 HB3 TYR 8 HB3 TYR 8 -21.655 -0.778 -19.076 55 HD1 TYR 8 HD2 TYR 8 -24.187 -2.299 -21.384 56 HD2 TYR 8 HD1 TYR 8 -20.307 -2.610 -19.607 57 HE1 TYR 8 HE2 TYR 8 -23.673 -4.317 -22.842 58 HE2 TYR 8 HE1 TYR 8 -19.807 -4.628 -21.071 59 HH TYR 8 HH TYR 8 -20.467 -5.807 -22.791 60 H ALA 9 H ALA 9 -23.351 1.129 -17.913 61 HA ALA 9 HA ALA 9 -21.604 1.029 -15.767 62 HB1 ALA 9 HB1 ALA 9 -23.271 3.307 -15.472 63 HB2 ALA 9 HB2 ALA 9 -21.690 3.213 -16.286 64 HB3 ALA 9 HB3 ALA 9 -23.187 2.969 -17.218 65 H ALA 10 H ALA 10 -25.175 0.767 -15.944 66 HA ALA 10 HA ALA 10 -25.573 0.998 -13.151 67 HB1 ALA 10 HB1 ALA 10 -27.249 1.376 -15.041 68 HB2 ALA 10 HB2 ALA 10 -27.358 -0.396 -15.176 69 HB3 ALA 10 HB3 ALA 10 -27.835 0.413 -13.664 70 H LEU 11 H LEU 11 -24.656 -1.613 -15.370 71 HA LEU 11 HA LEU 11 -25.315 -3.711 -13.566 72 HB2 LEU 11 HB2 LEU 11 -25.237 -3.985 -15.996 73 HB3 LEU 11 HB3 LEU 11 -23.518 -3.645 -15.995 74 HG LEU 11 HG LEU 11 -23.891 -5.770 -14.164 75 HD11 LEU 11 HD11 LEU 11 -26.145 -5.913 -15.460 76 HD12 LEU 11 HD12 LEU 11 -25.145 -6.592 -16.766 77 HD13 LEU 11 HD13 LEU 11 -25.192 -7.390 -15.176 78 HD21 LEU 11 HD21 LEU 11 -21.904 -5.390 -15.519 79 HD22 LEU 11 HD22 LEU 11 -22.541 -7.031 -15.781 80 HD23 LEU 11 HD23 LEU 11 -22.819 -5.763 -16.999 81 H VAL 12 H VAL 12 -22.121 -2.387 -14.704 82 HA VAL 12 HA VAL 12 -20.540 -3.727 -12.933 83 HB VAL 12 HB VAL 12 -19.758 -2.398 -14.821 84 HG11 VAL 12 HG11 VAL 12 -21.335 -0.482 -14.483 85 HG12 VAL 12 HG12 VAL 12 -20.312 0.062 -13.132 86 HG13 VAL 12 HG13 VAL 12 -19.651 0.009 -14.784 87 HG21 VAL 12 HG21 VAL 12 -17.853 -1.189 -13.589 88 HG22 VAL 12 HG22 VAL 12 -18.623 -1.766 -12.091 89 HG23 VAL 12 HG23 VAL 12 -18.043 -2.935 -13.302 90 H THR 13 H THR 13 -22.376 -0.661 -12.445 91 HA THR 13 HA THR 13 -21.355 -0.104 -9.894 92 HB THR 13 HB THR 13 -23.899 0.613 -11.423 93 HG1 THR 13 HG1 THR 13 -22.597 2.651 -11.401 94 HG21 THR 13 HG21 THR 13 -24.770 1.391 -9.447 95 HG22 THR 13 HG22 THR 13 -23.262 1.043 -8.567 96 HG23 THR 13 HG23 THR 13 -23.439 2.572 -9.462 97 H PHE 14 H PHE 14 -24.610 -1.496 -10.706 98 HA PHE 14 HA PHE 14 -25.432 -2.129 -8.245 99 HB2 PHE 14 HB2 PHE 14 -26.567 -2.554 -10.484 100 HB3 PHE 14 HB3 PHE 14 -25.472 -3.892 -10.769 101 HD1 PHE 14 HD2 PHE 14 -27.659 -2.809 -7.930 102 HD2 PHE 14 HD1 PHE 14 -26.470 -5.943 -10.532 103 HE1 PHE 14 HE2 PHE 14 -29.261 -4.365 -6.787 104 HE2 PHE 14 HE1 PHE 14 -28.073 -7.500 -9.388 105 HZ PHE 14 HZ PHE 14 -29.450 -6.692 -7.529 106 H GLY 15 H GLY 15 -22.974 -3.906 -10.175 107 HA2 GLY 15 HA2 GLY 15 -22.791 -6.156 -8.470 108 HA3 GLY 15 HA3 GLY 15 -21.614 -5.623 -9.654 109 H SER 16 H SER 16 -20.426 -3.428 -8.947 110 HA SER 16 HA SER 16 -18.738 -3.961 -6.989 111 HB2 SER 16 HB2 SER 16 -19.393 -1.700 -8.548 112 HB3 SER 16 HB3 SER 16 -19.406 -1.107 -6.899 113 HG SER 16 HG SER 16 -17.279 -1.055 -8.042 114 H ILE 17 H ILE 17 -21.648 -1.813 -6.521 115 HA ILE 17 HA ILE 17 -21.429 -1.481 -3.818 116 HB ILE 17 HB ILE 17 -23.938 -1.187 -3.911 117 HG12 ILE 17 HG12 ILE 17 -24.462 -0.953 -6.590 118 HG13 ILE 17 HG13 ILE 17 -23.471 -2.398 -6.564 119 HG21 ILE 17 HG21 ILE 17 -22.872 0.461 -6.119 120 HG22 ILE 17 HG22 ILE 17 -23.610 0.938 -4.571 121 HG23 ILE 17 HG23 ILE 17 -21.899 0.452 -4.628 122 HD11 ILE 17 HD11 ILE 17 -24.942 -3.368 -4.782 123 HD12 ILE 17 HD12 ILE 17 -25.967 -1.915 -4.872 124 HD13 ILE 17 HD13 ILE 17 -25.838 -3.003 -6.276 125 H PHE 18 H PHE 18 -22.978 -4.186 -5.642 126 HA PHE 18 HA PHE 18 -24.100 -5.521 -3.538 127 HB2 PHE 18 HB2 PHE 18 -23.457 -5.891 -6.288 128 HB3 PHE 18 HB3 PHE 18 -22.652 -7.230 -5.495 129 HD1 PHE 18 HD2 PHE 18 -25.972 -5.546 -5.673 130 HD2 PHE 18 HD1 PHE 18 -23.848 -9.162 -5.020 131 HE1 PHE 18 HE2 PHE 18 -28.141 -6.807 -5.598 132 HE2 PHE 18 HE1 PHE 18 -26.017 -10.422 -4.945 133 HZ PHE 18 HZ PHE 18 -28.138 -9.230 -5.235 134 H GLY 19 H GLY 19 -20.677 -5.518 -4.661 135 HA2 GLY 19 HA2 GLY 19 -19.891 -7.565 -2.790 136 HA3 GLY 19 HA3 GLY 19 -18.861 -6.622 -3.849 137 H TYR 20 H TYR 20 -20.299 -4.060 -2.790 138 HA TYR 20 HA TYR 20 -18.400 -3.566 -0.716 139 HB2 TYR 20 HB2 TYR 20 -19.645 -2.102 -2.642 140 HB3 TYR 20 HB3 TYR 20 -20.854 -1.883 -1.393 141 HD1 TYR 20 HD2 TYR 20 -20.318 -0.631 0.675 142 HD2 TYR 20 HD1 TYR 20 -17.479 -1.017 -2.503 143 HE1 TYR 20 HE2 TYR 20 -18.951 1.275 1.655 144 HE2 TYR 20 HE1 TYR 20 -16.122 0.891 -1.512 145 HH TYR 20 HH TYR 20 -16.414 1.915 1.537 146 H LYS 21 H LYS 21 -19.387 -5.517 0.581 147 HA LYS 21 HA LYS 21 -21.257 -4.316 2.475 148 HB2 LYS 21 HB2 LYS 21 -22.459 -6.521 2.607 149 HB3 LYS 21 HB3 LYS 21 -22.735 -5.603 1.141 150 HG2 LYS 21 HG2 LYS 21 -22.217 -7.568 0.084 151 HG3 LYS 21 HG3 LYS 21 -20.557 -7.078 0.364 152 HD2 LYS 21 HD2 LYS 21 -20.357 -9.086 1.438 153 HD3 LYS 21 HD3 LYS 21 -21.140 -8.273 2.778 154 HE2 LYS 21 HE2 LYS 21 -23.110 -9.232 0.816 155 HE3 LYS 21 HE3 LYS 21 -22.098 -10.541 1.393 156 HZ1 LYS 21 HZ1 LYS 21 -22.583 -9.506 3.672 157 HZ2 LYS 21 HZ2 LYS 21 -23.853 -8.798 2.927 158 HZ3 LYS 21 HZ3 LYS 21 -23.731 -10.427 2.962 159 H ARG 22 H ARG 22 -19.098 -7.129 1.709 160 HA ARG 22 HA ARG 22 -18.410 -7.140 4.529 161 HB2 ARG 22 HB2 ARG 22 -19.194 -9.254 3.062 162 HB3 ARG 22 HB3 ARG 22 -17.502 -9.293 2.607 163 HG2 ARG 22 HG2 ARG 22 -17.157 -9.034 5.272 164 HG3 ARG 22 HG3 ARG 22 -18.755 -9.754 5.308 165 HD2 ARG 22 HD2 ARG 22 -16.585 -10.999 3.588 166 HD3 ARG 22 HD3 ARG 22 -16.618 -11.317 5.311 167 HE ARG 22 HE ARG 22 -19.208 -11.706 3.973 168 HH11 ARG 22 HH22 ARG 22 -16.185 -13.213 4.959 169 HH12 ARG 22 HH21 ARG 22 -16.828 -14.821 4.929 170 HH21 ARG 22 HH12 ARG 22 -20.058 -13.827 3.934 171 HH22 ARG 22 HH11 ARG 22 -19.046 -15.173 4.342 172 H ARG 23 H ARG 23 -16.834 -7.754 1.294 173 HA ARG 23 HA ARG 23 -14.974 -7.032 0.442 174 HB2 ARG 23 HB2 ARG 23 -15.568 -4.940 2.236 175 HB3 ARG 23 HB3 ARG 23 -13.912 -5.356 2.633 176 HG2 ARG 23 HG2 ARG 23 -14.099 -5.353 -0.232 177 HG3 ARG 23 HG3 ARG 23 -14.913 -3.905 0.328 178 HD2 ARG 23 HD2 ARG 23 -12.398 -4.376 1.794 179 HD3 ARG 23 HD3 ARG 23 -12.129 -4.256 0.066 180 HE ARG 23 HE ARG 23 -12.830 -1.998 0.110 181 HH11 ARG 23 HH22 ARG 23 -13.459 -3.539 3.210 182 HH12 ARG 23 HH21 ARG 23 -13.807 -2.051 4.024 183 HH21 ARG 23 HH12 ARG 23 -13.290 -0.033 1.183 184 HH22 ARG 23 HH11 ARG 23 -13.711 -0.043 2.864 185 H GLY 24 H GLY 24 -13.544 -8.748 0.410 186 HA2 GLY 24 HA2 GLY 24 -11.449 -8.976 2.248 187 HA3 GLY 24 HA3 GLY 24 -12.687 -10.127 2.711 188 H GLY 25 H GLY 25 -10.098 -9.412 0.507 189 HA2 GLY 25 HA2 GLY 25 -10.728 -11.867 -1.021 190 HA3 GLY 25 HA3 GLY 25 -10.035 -10.432 -1.751 191 H VAL 26 H VAL 26 -7.985 -11.096 -2.347 192 HA VAL 26 HA VAL 26 -6.433 -12.926 -0.986 193 HB VAL 26 HB VAL 26 -6.069 -12.243 -3.283 194 HG11 VAL 26 HG11 VAL 26 -4.627 -9.750 -2.708 195 HG12 VAL 26 HG12 VAL 26 -5.804 -10.127 -3.989 196 HG13 VAL 26 HG13 VAL 26 -6.372 -9.654 -2.369 197 HG21 VAL 26 HG21 VAL 26 -3.562 -11.866 -3.165 198 HG22 VAL 26 HG22 VAL 26 -3.745 -11.771 -1.397 199 HG23 VAL 26 HG23 VAL 26 -4.180 -13.267 -2.258 200 HA PRO 27 HA PRO 27 -5.062 -10.692 2.459 201 HB2 PRO 27 HB2 PRO 27 -3.007 -12.301 3.268 202 HB3 PRO 27 HB3 PRO 27 -4.687 -12.629 3.645 203 HG2 PRO 27 HG2 PRO 27 -2.940 -13.953 1.661 204 HG3 PRO 27 HG3 PRO 27 -4.449 -14.522 2.348 205 HD2 PRO 27 HD2 PRO 27 -4.065 -13.409 -0.268 206 HD3 PRO 27 HD3 PRO 27 -5.591 -13.870 0.462 207 H SER 28 H SER 28 -4.503 -8.765 1.349 208 HA SER 28 HA SER 28 -1.888 -8.076 1.791 209 HB2 SER 28 HB2 SER 28 -1.988 -9.673 -0.474 210 HB3 SER 28 HB3 SER 28 -2.100 -8.069 -1.169 211 HG SER 28 HG SER 28 -0.152 -7.480 -0.001 212 H LEU 29 H LEU 29 -4.288 -7.590 -0.913 213 HA LEU 29 HA LEU 29 -4.052 -4.936 -1.268 214 HB2 LEU 29 HB2 LEU 29 -5.969 -6.969 -1.827 215 HB3 LEU 29 HB3 LEU 29 -6.836 -5.546 -1.283 216 HG LEU 29 HG LEU 29 -4.770 -4.846 -3.211 217 HD11 LEU 29 HD11 LEU 29 -6.235 -5.882 -5.131 218 HD12 LEU 29 HD12 LEU 29 -4.939 -6.827 -4.359 219 HD13 LEU 29 HD13 LEU 29 -6.634 -7.090 -3.886 220 HD21 LEU 29 HD21 LEU 29 -7.123 -4.131 -4.342 221 HD22 LEU 29 HD22 LEU 29 -7.614 -4.272 -2.637 222 HD23 LEU 29 HD23 LEU 29 -6.283 -3.182 -3.092 223 H ILE 30 H ILE 30 -6.117 -6.547 1.242 224 HA ILE 30 HA ILE 30 -7.197 -4.303 2.362 225 HB ILE 30 HB ILE 30 -6.332 -6.911 3.603 226 HG12 ILE 30 HG12 ILE 30 -9.188 -6.243 3.218 227 HG13 ILE 30 HG13 ILE 30 -8.271 -6.441 1.738 228 HG21 ILE 30 HG21 ILE 30 -6.454 -5.520 5.471 229 HG22 ILE 30 HG22 ILE 30 -7.810 -4.579 4.806 230 HG23 ILE 30 HG23 ILE 30 -8.077 -6.244 5.374 231 HD11 ILE 30 HD11 ILE 30 -9.241 -8.599 2.503 232 HD12 ILE 30 HD12 ILE 30 -7.462 -8.658 2.500 233 HD13 ILE 30 HD13 ILE 30 -8.343 -8.455 4.033 234 H ALA 31 H ALA 31 -4.018 -5.864 3.130 235 HA ALA 31 HA ALA 31 -3.265 -4.131 5.141 236 HB1 ALA 31 HB1 ALA 31 -1.324 -5.310 5.045 237 HB2 ALA 31 HB2 ALA 31 -2.208 -6.324 3.879 238 HB3 ALA 31 HB3 ALA 31 -1.127 -5.035 3.298 239 H GLY 32 H GLY 32 -3.141 -3.796 1.572 240 HA2 GLY 32 HA2 GLY 32 -1.533 -1.457 1.544 241 HA3 GLY 32 HA3 GLY 32 -2.540 -2.074 0.249 242 H LEU 33 H LEU 33 -5.015 -2.119 1.994 243 HA LEU 33 HA LEU 33 -5.850 0.527 1.412 244 HB2 LEU 33 HB2 LEU 33 -7.017 -2.003 2.078 245 HB3 LEU 33 HB3 LEU 33 -7.695 -0.772 3.125 246 HG LEU 33 HG LEU 33 -8.000 0.558 0.862 247 HD11 LEU 33 HD11 LEU 33 -6.791 -1.066 -0.525 248 HD12 LEU 33 HD12 LEU 33 -7.993 -2.312 -0.112 249 HD13 LEU 33 HD13 LEU 33 -8.482 -0.878 -1.045 250 HD21 LEU 33 HD21 LEU 33 -10.136 -1.264 0.711 251 HD22 LEU 33 HD22 LEU 33 -9.647 -1.223 2.422 252 HD23 LEU 33 HD23 LEU 33 -10.079 0.287 1.584 253 H PHE 34 H PHE 34 -5.665 -1.294 4.558 254 HA PHE 34 HA PHE 34 -6.115 0.845 6.195 255 HB2 PHE 34 HB2 PHE 34 -5.240 -1.884 6.295 256 HB3 PHE 34 HB3 PHE 34 -4.007 -0.992 7.164 257 HD1 PHE 34 HD1 PHE 34 -4.574 0.228 9.222 258 HD2 PHE 34 HD2 PHE 34 -7.465 -2.119 7.188 259 HE1 PHE 34 HE1 PHE 34 -6.034 0.259 11.263 260 HE2 PHE 34 HE2 PHE 34 -8.925 -2.089 9.229 261 HZ PHE 34 HZ PHE 34 -8.192 -0.900 11.242 262 H VAL 35 H VAL 35 -2.964 -0.338 4.857 263 HA VAL 35 HA VAL 35 -1.403 1.545 6.243 264 HB VAL 35 HB VAL 35 -1.023 -0.215 3.836 265 HG11 VAL 35 HG11 VAL 35 1.520 0.704 4.557 266 HG12 VAL 35 HG12 VAL 35 0.619 1.097 3.073 267 HG13 VAL 35 HG13 VAL 35 0.512 2.170 4.490 268 HG21 VAL 35 HG21 VAL 35 -0.391 -0.300 6.726 269 HG22 VAL 35 HG22 VAL 35 -0.702 -1.622 5.576 270 HG23 VAL 35 HG23 VAL 35 0.907 -0.864 5.646 271 H GLY 36 H GLY 36 -1.935 1.437 2.654 272 HA2 GLY 36 HA2 GLY 36 -1.167 3.892 1.944 273 HA3 GLY 36 HA3 GLY 36 -2.558 3.098 1.235 274 H CYS 37 H CYS 37 -4.209 3.077 3.686 275 HA CYS 37 HA CYS 37 -5.428 5.560 3.362 276 HB2 CYS 37 HB2 CYS 37 -5.770 3.265 5.267 277 HB3 CYS 37 HB3 CYS 37 -6.581 4.779 5.615 278 HG CYS 37 HG CYS 37 -7.775 5.040 3.318 279 H LEU 38 H LEU 38 -3.895 4.187 6.373 280 HA LEU 38 HA LEU 38 -3.756 6.405 7.867 281 HB2 LEU 38 HB2 LEU 38 -2.456 3.866 7.758 282 HB3 LEU 38 HB3 LEU 38 -1.255 5.079 8.152 283 HG LEU 38 HG LEU 38 -3.821 5.185 9.666 284 HD11 LEU 38 HD11 LEU 38 -1.730 3.050 10.174 285 HD12 LEU 38 HD12 LEU 38 -3.108 3.441 11.230 286 HD13 LEU 38 HD13 LEU 38 -3.394 2.782 9.601 287 HD21 LEU 38 HD21 LEU 38 -1.041 5.340 10.797 288 HD22 LEU 38 HD22 LEU 38 -1.726 6.707 9.884 289 HD23 LEU 38 HD23 LEU 38 -2.542 6.119 11.353 290 H ALA 39 H ALA 39 -1.717 5.603 5.039 291 HA ALA 39 HA ALA 39 0.202 7.591 5.406 292 HB1 ALA 39 HB1 ALA 39 -0.703 6.832 2.652 293 HB2 ALA 39 HB2 ALA 39 0.941 6.928 3.327 294 HB3 ALA 39 HB3 ALA 39 -0.099 5.536 3.712 295 H GLY 40 H GLY 40 -2.577 7.635 3.057 296 HA2 GLY 40 HA2 GLY 40 -2.424 10.375 2.532 297 HA3 GLY 40 HA3 GLY 40 -3.809 9.336 2.260 298 H TYR 41 H TYR 41 -5.052 8.691 4.399 299 HA TYR 41 HA TYR 41 -6.291 10.831 5.437 300 HB2 TYR 41 HB2 TYR 41 -5.575 8.024 6.326 301 HB3 TYR 41 HB3 TYR 41 -6.267 9.054 7.563 302 HD1 TYR 41 HD2 TYR 41 -6.900 7.548 4.225 303 HD2 TYR 41 HD1 TYR 41 -8.605 9.535 7.609 304 HE1 TYR 41 HE2 TYR 41 -9.234 7.022 3.367 305 HE2 TYR 41 HE1 TYR 41 -10.934 9.002 6.739 306 HH TYR 41 HH TYR 41 -11.376 7.484 3.586 307 H GLY 42 H GLY 42 -3.521 9.120 7.064 308 HA2 GLY 42 HA2 GLY 42 -3.256 10.710 9.274 309 HA3 GLY 42 HA3 GLY 42 -1.933 9.903 8.455 310 H ALA 43 H ALA 43 -1.592 11.165 6.065 311 HA ALA 43 HA ALA 43 -0.246 13.475 6.724 312 HB1 ALA 43 HB1 ALA 43 0.316 13.492 4.502 313 HB2 ALA 43 HB2 ALA 43 -0.381 11.855 4.567 314 HB3 ALA 43 HB3 ALA 43 -1.358 13.215 3.964 315 H TYR 44 H TYR 44 -3.664 12.932 5.890 316 HA TYR 44 HA TYR 44 -4.211 15.705 5.452 317 HB2 TYR 44 HB2 TYR 44 -5.366 13.365 4.732 318 HB3 TYR 44 HB3 TYR 44 -6.180 13.515 6.277 319 HD1 TYR 44 HD1 TYR 44 -5.436 15.684 3.296 320 HD2 TYR 44 HD2 TYR 44 -8.286 14.475 6.249 321 HE1 TYR 44 HE1 TYR 44 -7.186 17.192 2.234 322 HE2 TYR 44 HE2 TYR 44 -10.026 15.987 5.177 323 HH TYR 44 HH TYR 44 -9.609 18.342 3.552 324 H ARG 45 H ARG 45 -4.194 13.458 8.214 325 HA ARG 45 HA ARG 45 -5.858 14.942 9.852 326 HB2 ARG 45 HB2 ARG 45 -3.678 12.885 10.314 327 HB3 ARG 45 HB3 ARG 45 -4.363 13.713 11.698 328 HG2 ARG 45 HG2 ARG 45 -6.677 13.046 10.443 329 HG3 ARG 45 HG3 ARG 45 -5.661 11.765 9.812 330 HD2 ARG 45 HD2 ARG 45 -5.303 12.185 12.724 331 HD3 ARG 45 HD3 ARG 45 -6.945 11.748 12.297 332 HE ARG 45 HE ARG 45 -4.653 10.002 12.230 333 HH11 ARG 45 HH22 ARG 45 -7.629 10.703 10.488 334 HH12 ARG 45 HH21 ARG 45 -7.789 9.097 9.858 335 HH21 ARG 45 HH12 ARG 45 -4.864 7.883 11.399 336 HH22 ARG 45 HH11 ARG 45 -6.205 7.483 10.380 337 H VAL 46 H VAL 46 -2.397 15.182 9.020 338 HA VAL 46 HA VAL 46 -0.777 16.554 9.669 339 HB VAL 46 HB VAL 46 -3.079 18.505 9.872 340 HG11 VAL 46 HG11 VAL 46 -0.090 18.845 9.638 341 HG12 VAL 46 HG12 VAL 46 -1.208 20.093 9.038 342 HG13 VAL 46 HG13 VAL 46 -1.230 19.631 10.757 343 HG21 VAL 46 HG21 VAL 46 -1.373 18.081 7.422 344 HG22 VAL 46 HG22 VAL 46 -2.807 17.071 7.722 345 HG23 VAL 46 HG23 VAL 46 -2.979 18.836 7.564 346 H SER 47 H SER 47 -0.420 15.269 11.643 347 HA SER 47 HA SER 47 -0.917 16.946 13.952 348 HB2 SER 47 HB2 SER 47 -1.842 14.119 13.560 349 HB3 SER 47 HB3 SER 47 -1.189 14.519 15.136 350 HG SER 47 HG SER 47 -3.432 14.926 15.167 351 H ASN 48 H ASN 48 0.554 13.764 12.944 352 HA ASN 48 HA ASN 48 2.793 14.331 14.648 353 HB2 ASN 48 HB2 ASN 48 1.684 12.009 14.342 354 HB3 ASN 48 HB3 ASN 48 2.414 11.961 12.750 355 HD21 ASN 48 HD21 ASN 48 3.900 10.430 12.954 356 HD22 ASN 48 HD22 ASN 48 5.219 10.426 14.076 357 H ASP 49 H ASP 49 2.194 13.390 11.169 358 HA ASP 49 HA ASP 49 4.624 14.865 10.517 359 HB2 ASP 49 HB2 ASP 49 3.394 12.351 9.331 360 HB3 ASP 49 HB3 ASP 49 4.503 13.325 8.386 361 H LYS 50 H LYS 50 4.536 15.978 8.335 362 HA LYS 50 HA LYS 50 1.849 16.281 7.252 363 HB2 LYS 50 HB2 LYS 50 2.043 18.052 8.928 364 HB3 LYS 50 HB3 LYS 50 3.549 18.599 8.219 365 HG2 LYS 50 HG2 LYS 50 1.588 18.434 6.105 366 HG3 LYS 50 HG3 LYS 50 0.856 19.289 7.447 367 HD2 LYS 50 HD2 LYS 50 3.667 20.020 6.584 368 HD3 LYS 50 HD3 LYS 50 2.305 20.608 5.652 369 HE2 LYS 50 HE2 LYS 50 1.380 21.786 7.551 370 HE3 LYS 50 HE3 LYS 50 2.439 20.958 8.676 371 HZ1 LYS 50 HZ1 LYS 50 4.005 22.441 8.294 372 HZ2 LYS 50 HZ2 LYS 50 3.919 22.275 6.672 373 HZ3 LYS 50 HZ3 LYS 50 2.931 23.325 7.439 374 H ARG 51 H ARG 51 3.382 14.695 5.910 375 HA ARG 51 HA ARG 51 4.226 16.325 3.713 376 HB2 ARG 51 HB2 ARG 51 6.139 15.112 5.533 377 HB3 ARG 51 HB3 ARG 51 6.275 14.319 3.976 378 HG2 ARG 51 HG2 ARG 51 6.242 17.355 4.273 379 HG3 ARG 51 HG3 ARG 51 7.724 16.421 4.312 380 HD2 ARG 51 HD2 ARG 51 6.782 15.390 2.034 381 HD3 ARG 51 HD3 ARG 51 5.817 16.852 2.000 382 HE ARG 51 HE ARG 51 8.337 17.829 2.529 383 HH11 ARG 51 HH22 ARG 51 7.085 15.643 0.072 384 HH12 ARG 51 HH21 ARG 51 8.266 16.093 -1.113 385 HH21 ARG 51 HH12 ARG 51 9.895 18.424 0.966 386 HH22 ARG 51 HH11 ARG 51 9.875 17.686 -0.601 387 H ASP 52 H ASP 52 2.303 15.288 2.773 388 HA ASP 52 HA ASP 52 1.773 12.640 2.767 389 HB2 ASP 52 HB2 ASP 52 1.301 14.874 0.789 390 HB3 ASP 52 HB3 ASP 52 0.888 13.242 0.302 391 H VAL 53 H VAL 53 1.992 11.080 0.787 392 HA VAL 53 HA VAL 53 3.178 10.022 -0.760 393 HB VAL 53 HB VAL 53 4.983 12.420 -1.023 394 HG11 VAL 53 HG11 VAL 53 4.030 10.541 -3.191 395 HG12 VAL 53 HG12 VAL 53 5.432 11.638 -3.200 396 HG13 VAL 53 HG13 VAL 53 5.452 10.176 -2.184 397 HG21 VAL 53 HG21 VAL 53 2.128 12.315 -1.467 398 HG22 VAL 53 HG22 VAL 53 3.252 13.685 -1.639 399 HG23 VAL 53 HG23 VAL 53 2.985 12.576 -3.006 400 H LYS 54 H LYS 54 5.698 12.110 0.822 401 HA LYS 54 HA LYS 54 7.624 10.222 1.059 402 HB2 LYS 54 HB2 LYS 54 6.903 12.669 2.626 403 HB3 LYS 54 HB3 LYS 54 8.151 11.617 3.262 404 HG2 LYS 54 HG2 LYS 54 8.220 12.489 0.354 405 HG3 LYS 54 HG3 LYS 54 8.828 13.550 1.609 406 HD2 LYS 54 HD2 LYS 54 10.041 11.172 2.315 407 HD3 LYS 54 HD3 LYS 54 9.963 10.994 0.574 408 HE2 LYS 54 HE2 LYS 54 10.919 13.637 1.669 409 HE3 LYS 54 HE3 LYS 54 12.009 12.269 1.776 410 HZ1 LYS 54 HZ1 LYS 54 12.500 12.820 -0.301 411 HZ2 LYS 54 HZ2 LYS 54 11.103 12.090 -0.730 412 HZ3 LYS 54 HZ3 LYS 54 11.150 13.710 -0.528 413 H VAL 55 H VAL 55 4.907 10.863 3.364 414 HA VAL 55 HA VAL 55 5.515 9.203 5.381 415 HB VAL 55 HB VAL 55 3.028 8.792 5.529 416 HG11 VAL 55 HG11 VAL 55 2.613 10.940 6.332 417 HG12 VAL 55 HG12 VAL 55 4.390 10.841 6.379 418 HG13 VAL 55 HG13 VAL 55 3.582 11.717 5.056 419 HG21 VAL 55 HG21 VAL 55 2.042 8.810 3.478 420 HG22 VAL 55 HG22 VAL 55 1.855 10.541 3.852 421 HG23 VAL 55 HG23 VAL 55 3.191 9.995 2.810 422 H SER 56 H SER 56 3.757 8.168 2.368 423 HA SER 56 HA SER 56 3.565 5.547 2.922 424 HB2 SER 56 HB2 SER 56 3.173 7.173 0.694 425 HB3 SER 56 HB3 SER 56 4.397 6.054 0.127 426 HG SER 56 HG SER 56 2.892 4.551 -0.037 427 H LEU 57 H LEU 57 6.388 7.290 1.467 428 HA LEU 57 HA LEU 57 7.973 5.100 0.940 429 HB2 LEU 57 HB2 LEU 57 8.169 7.825 0.728 430 HB3 LEU 57 HB3 LEU 57 9.378 7.474 1.947 431 HG LEU 57 HG LEU 57 10.362 7.539 -0.277 432 HD11 LEU 57 HD11 LEU 57 10.865 5.683 1.633 433 HD12 LEU 57 HD12 LEU 57 10.545 4.633 0.232 434 HD13 LEU 57 HD13 LEU 57 11.818 5.874 0.142 435 HD21 LEU 57 HD21 LEU 57 8.748 5.108 -1.048 436 HD22 LEU 57 HD22 LEU 57 8.215 6.765 -1.421 437 HD23 LEU 57 HD23 LEU 57 9.754 6.157 -2.076 438 H PHE 58 H PHE 58 7.478 6.934 4.001 439 HA PHE 58 HA PHE 58 9.461 5.501 5.414 440 HB2 PHE 58 HB2 PHE 58 7.231 7.461 5.850 441 HB3 PHE 58 HB3 PHE 58 7.560 6.457 7.248 442 HD1 PHE 58 HD2 PHE 58 9.063 8.893 4.913 443 HD2 PHE 58 HD1 PHE 58 9.481 6.820 8.593 444 HE1 PHE 58 HE2 PHE 58 10.978 10.389 5.538 445 HE2 PHE 58 HE1 PHE 58 11.397 8.317 9.218 446 HZ PHE 58 HZ PHE 58 12.123 10.083 7.683 447 H THR 59 H THR 59 6.094 4.877 4.549 448 HA THR 59 HA THR 59 5.645 2.964 6.631 449 HB THR 59 HB THR 59 4.163 3.403 3.988 450 HG1 THR 59 HG1 THR 59 3.937 4.586 6.667 451 HG21 THR 59 HG21 THR 59 3.283 2.448 6.764 452 HG22 THR 59 HG22 THR 59 2.186 2.771 5.400 453 HG23 THR 59 HG23 THR 59 3.365 1.440 5.300 454 H ALA 60 H ALA 60 6.707 2.855 3.201 455 HA ALA 60 HA ALA 60 6.639 0.023 3.086 456 HB1 ALA 60 HB1 ALA 60 8.430 1.688 1.339 457 HB2 ALA 60 HB2 ALA 60 7.369 0.324 0.910 458 HB3 ALA 60 HB3 ALA 60 6.670 1.930 1.229 459 H PHE 61 H PHE 61 9.101 2.509 3.912 460 HA PHE 61 HA PHE 61 11.290 0.782 3.965 461 HB2 PHE 61 HB2 PHE 61 10.821 3.465 4.210 462 HB3 PHE 61 HB3 PHE 61 10.937 3.084 5.917 463 HD1 PHE 61 HD2 PHE 61 12.775 3.219 2.746 464 HD2 PHE 61 HD1 PHE 61 13.047 2.469 6.914 465 HE1 PHE 61 HE2 PHE 61 15.278 3.342 2.604 466 HE2 PHE 61 HE1 PHE 61 15.550 2.593 6.772 467 HZ PHE 61 HZ PHE 61 16.636 3.028 4.619 468 H PHE 62 H PHE 62 9.147 1.972 6.651 469 HA PHE 62 HA PHE 62 10.419 0.434 8.618 470 HB2 PHE 62 HB2 PHE 62 7.950 2.076 8.175 471 HB3 PHE 62 HB3 PHE 62 7.752 0.851 9.411 472 HD1 PHE 62 HD1 PHE 62 9.630 0.778 11.241 473 HD2 PHE 62 HD2 PHE 62 8.855 4.129 8.755 474 HE1 PHE 62 HE1 PHE 62 10.762 2.276 12.907 475 HE2 PHE 62 HE2 PHE 62 9.987 5.627 10.421 476 HZ PHE 62 HZ PHE 62 10.927 4.682 12.477 477 H LEU 63 H LEU 63 7.100 -0.005 7.182 478 HA LEU 63 HA LEU 63 6.486 -2.395 8.244 479 HB2 LEU 63 HB2 LEU 63 5.210 -0.850 6.630 480 HB3 LEU 63 HB3 LEU 63 5.946 -1.791 5.348 481 HG LEU 63 HG LEU 63 3.733 -2.622 5.766 482 HD11 LEU 63 HD11 LEU 63 5.424 -4.278 5.165 483 HD12 LEU 63 HD12 LEU 63 5.789 -4.547 6.886 484 HD13 LEU 63 HD13 LEU 63 4.189 -4.980 6.238 485 HD21 LEU 63 HD21 LEU 63 3.741 -1.764 8.192 486 HD22 LEU 63 HD22 LEU 63 2.848 -3.260 7.828 487 HD23 LEU 63 HD23 LEU 63 4.448 -3.345 8.602 488 H ALA 64 H ALA 64 8.329 -1.930 5.147 489 HA ALA 64 HA ALA 64 8.800 -4.580 4.618 490 HB1 ALA 64 HB1 ALA 64 10.574 -2.150 4.140 491 HB2 ALA 64 HB2 ALA 64 10.747 -3.724 3.326 492 HB3 ALA 64 HB3 ALA 64 9.283 -2.745 3.067 493 H THR 65 H THR 65 10.764 -2.279 6.620 494 HA THR 65 HA THR 65 12.789 -4.058 7.281 495 HB THR 65 HB THR 65 11.555 -1.713 8.820 496 HG1 THR 65 HG1 THR 65 12.488 -0.795 7.025 497 HG21 THR 65 HG21 THR 65 13.075 -2.909 10.330 498 HG22 THR 65 HG22 THR 65 14.268 -3.119 9.026 499 HG23 THR 65 HG23 THR 65 13.947 -1.498 9.686 500 H ILE 66 H ILE 66 9.461 -3.821 8.468 501 HA ILE 66 HA ILE 66 10.008 -5.484 10.741 502 HB ILE 66 HB ILE 66 7.384 -4.618 9.522 503 HG12 ILE 66 HG12 ILE 66 8.586 -3.330 11.945 504 HG13 ILE 66 HG13 ILE 66 9.180 -2.859 10.366 505 HG21 ILE 66 HG21 ILE 66 6.313 -5.651 11.190 506 HG22 ILE 66 HG22 ILE 66 7.816 -6.582 11.397 507 HG23 ILE 66 HG23 ILE 66 7.513 -5.145 12.403 508 HD11 ILE 66 HD11 ILE 66 6.800 -1.975 11.650 509 HD12 ILE 66 HD12 ILE 66 7.338 -1.596 9.996 510 HD13 ILE 66 HD13 ILE 66 6.278 -2.996 10.289 511 H MET 67 H MET 67 9.053 -5.858 7.350 512 HA MET 67 HA MET 67 8.166 -8.537 7.757 513 HB2 MET 67 HB2 MET 67 8.194 -6.507 5.632 514 HB3 MET 67 HB3 MET 67 8.728 -8.047 4.990 515 HG2 MET 67 HG2 MET 67 6.435 -8.486 6.728 516 HG3 MET 67 HG3 MET 67 6.044 -7.230 5.570 517 HE1 MET 67 HE1 MET 67 4.482 -10.416 3.945 518 HE2 MET 67 HE2 MET 67 4.495 -9.835 5.628 519 HE3 MET 67 HE3 MET 67 4.224 -8.690 4.292 520 H GLY 68 H GLY 68 10.893 -7.013 5.880 521 HA2 GLY 68 HA2 GLY 68 12.625 -9.229 6.678 522 HA3 GLY 68 HA3 GLY 68 12.308 -9.036 4.965 523 H VAL 69 H VAL 69 14.147 -8.170 4.076 524 HA VAL 69 HA VAL 69 15.043 -5.629 5.214 525 HB VAL 69 HB VAL 69 17.382 -6.328 4.835 526 HG11 VAL 69 HG11 VAL 69 17.414 -8.035 6.790 527 HG12 VAL 69 HG12 VAL 69 16.755 -6.407 7.084 528 HG13 VAL 69 HG13 VAL 69 15.652 -7.782 6.833 529 HG21 VAL 69 HG21 VAL 69 17.722 -8.897 4.787 530 HG22 VAL 69 HG22 VAL 69 16.062 -8.952 4.146 531 HG23 VAL 69 HG23 VAL 69 17.327 -8.060 3.266 532 H ARG 70 H ARG 70 15.270 -8.000 2.479 533 HA ARG 70 HA ARG 70 15.571 -5.707 0.729 534 HB2 ARG 70 HB2 ARG 70 17.096 -7.916 0.760 535 HB3 ARG 70 HB3 ARG 70 15.806 -8.570 -0.229 536 HG2 ARG 70 HG2 ARG 70 16.978 -7.639 -1.963 537 HG3 ARG 70 HG3 ARG 70 16.169 -6.161 -1.482 538 HD2 ARG 70 HD2 ARG 70 18.386 -6.303 0.255 539 HD3 ARG 70 HD3 ARG 70 19.020 -6.875 -1.275 540 HE ARG 70 HE ARG 70 17.561 -4.624 -1.988 541 HH11 ARG 70 HH22 ARG 70 20.149 -5.244 0.314 542 HH12 ARG 70 HH21 ARG 70 20.796 -3.641 0.213 543 HH21 ARG 70 HH12 ARG 70 18.414 -2.509 -2.122 544 HH22 ARG 70 HH11 ARG 70 19.803 -2.074 -1.182 545 H PHE 71 H PHE 71 12.996 -6.147 1.875 546 HA PHE 71 HA PHE 71 10.869 -6.558 1.413 547 HB2 PHE 71 HB2 PHE 71 11.933 -5.967 -1.415 548 HB3 PHE 71 HB3 PHE 71 10.250 -5.826 -0.945 549 HD1 PHE 71 HD2 PHE 71 13.624 -4.429 -0.315 550 HD2 PHE 71 HD1 PHE 71 9.436 -3.850 0.043 551 HE1 PHE 71 HE2 PHE 71 14.012 -2.042 0.357 552 HE2 PHE 71 HE1 PHE 71 9.824 -1.463 0.715 553 HZ PHE 71 HZ PHE 71 12.107 -0.587 0.864 554 H LYS 72 H LYS 72 12.426 -8.962 1.489 555 HA LYS 72 HA LYS 72 12.277 -11.106 0.992 556 HB2 LYS 72 HB2 LYS 72 9.591 -10.170 -0.007 557 HB3 LYS 72 HB3 LYS 72 10.078 -11.844 -0.180 558 HG2 LYS 72 HG2 LYS 72 10.670 -11.738 2.366 559 HG3 LYS 72 HG3 LYS 72 9.741 -10.253 2.391 560 HD2 LYS 72 HD2 LYS 72 7.825 -11.453 2.530 561 HD3 LYS 72 HD3 LYS 72 8.159 -12.168 0.965 562 HE2 LYS 72 HE2 LYS 72 9.563 -13.255 3.422 563 HE3 LYS 72 HE3 LYS 72 7.902 -13.717 3.108 564 HZ1 LYS 72 HZ1 LYS 72 9.143 -15.281 2.001 565 HZ2 LYS 72 HZ2 LYS 72 8.764 -14.250 0.792 566 HZ3 LYS 72 HZ3 LYS 72 10.256 -14.216 1.456 567 H ARG 73 H ARG 73 11.588 -12.630 -1.186 568 HA ARG 73 HA ARG 73 12.047 -11.553 -3.641 569 HB2 ARG 73 HB2 ARG 73 14.457 -11.552 -2.120 570 HB3 ARG 73 HB3 ARG 73 14.617 -12.901 -3.227 571 HG2 ARG 73 HG2 ARG 73 15.148 -11.432 -4.869 572 HG3 ARG 73 HG3 ARG 73 13.513 -10.807 -4.792 573 HD2 ARG 73 HD2 ARG 73 14.116 -8.976 -3.470 574 HD3 ARG 73 HD3 ARG 73 15.443 -9.824 -2.702 575 HE ARG 73 HE ARG 73 15.539 -8.353 -5.242 576 HH11 ARG 73 HH22 ARG 73 17.105 -10.786 -3.239 577 HH12 ARG 73 HH21 ARG 73 18.653 -10.593 -3.991 578 HH21 ARG 73 HH12 ARG 73 17.582 -8.097 -6.234 579 HH22 ARG 73 HH11 ARG 73 18.926 -9.053 -5.706 580 H SER 74 H SER 74 11.314 -13.154 -5.020 581 HA SER 74 HA SER 74 12.244 -15.709 -5.078 582 HB2 SER 74 HB2 SER 74 10.592 -15.422 -2.826 583 HB3 SER 74 HB3 SER 74 9.532 -16.149 -4.017 584 HG SER 74 HG SER 74 12.178 -17.199 -3.580 585 H LYS 75 H LYS 75 10.165 -17.211 -6.090 586 HA LYS 75 HA LYS 75 9.602 -15.861 -8.506 587 HB2 LYS 75 HB2 LYS 75 9.257 -18.554 -7.367 588 HB3 LYS 75 HB3 LYS 75 7.997 -18.097 -8.495 589 HG2 LYS 75 HG2 LYS 75 9.769 -19.118 -9.790 590 HG3 LYS 75 HG3 LYS 75 9.798 -17.402 -10.144 591 HD2 LYS 75 HD2 LYS 75 11.555 -17.255 -8.188 592 HD3 LYS 75 HD3 LYS 75 11.699 -18.990 -8.387 593 HE2 LYS 75 HE2 LYS 75 11.794 -17.849 -11.020 594 HE3 LYS 75 HE3 LYS 75 12.850 -16.878 -10.014 595 HZ1 LYS 75 HZ1 LYS 75 13.824 -19.010 -9.247 596 HZ2 LYS 75 HZ2 LYS 75 12.964 -19.784 -10.399 597 HZ3 LYS 75 HZ3 LYS 75 14.089 -18.679 -10.824 598 H LYS 76 H LYS 76 6.964 -16.559 -9.147 599 HA LYS 76 HA LYS 76 4.934 -15.690 -9.080 600 HB2 LYS 76 HB2 LYS 76 5.403 -16.201 -6.141 601 HB3 LYS 76 HB3 LYS 76 3.880 -15.569 -6.731 602 HG2 LYS 76 HG2 LYS 76 3.245 -17.678 -7.258 603 HG3 LYS 76 HG3 LYS 76 4.511 -17.730 -8.469 604 HD2 LYS 76 HD2 LYS 76 5.885 -18.150 -6.043 605 HD3 LYS 76 HD3 LYS 76 4.394 -19.047 -5.839 606 HE2 LYS 76 HE2 LYS 76 4.788 -20.335 -7.867 607 HE3 LYS 76 HE3 LYS 76 6.118 -19.298 -8.343 608 HZ1 LYS 76 HZ1 LYS 76 6.749 -20.173 -5.842 609 HZ2 LYS 76 HZ2 LYS 76 6.139 -21.493 -6.586 610 HZ3 LYS 76 HZ3 LYS 76 7.401 -20.693 -7.247 611 H ILE 77 H ILE 77 3.529 -13.793 -7.867 612 HA ILE 77 HA ILE 77 5.372 -11.512 -7.688 613 HB ILE 77 HB ILE 77 4.044 -11.749 -9.836 614 HG12 ILE 77 HG12 ILE 77 3.159 -9.166 -9.191 615 HG13 ILE 77 HG13 ILE 77 4.542 -9.435 -8.149 616 HG21 ILE 77 HG21 ILE 77 1.669 -10.473 -8.847 617 HG22 ILE 77 HG22 ILE 77 1.838 -11.966 -9.800 618 HG23 ILE 77 HG23 ILE 77 1.896 -12.034 -8.022 619 HD11 ILE 77 HD11 ILE 77 5.419 -10.499 -10.571 620 HD12 ILE 77 HD12 ILE 77 4.440 -9.101 -11.080 621 HD13 ILE 77 HD13 ILE 77 5.803 -8.872 -9.958 622 H MET 78 H MET 78 4.310 -13.313 -5.562 623 HA MET 78 HA MET 78 2.192 -11.911 -4.325 624 HB2 MET 78 HB2 MET 78 3.603 -14.388 -4.022 625 HB3 MET 78 HB3 MET 78 3.828 -13.538 -2.506 626 HG2 MET 78 HG2 MET 78 1.187 -13.081 -2.770 627 HG3 MET 78 HG3 MET 78 1.268 -14.514 -3.775 628 HE1 MET 78 HE1 MET 78 0.248 -16.336 -2.704 629 HE2 MET 78 HE2 MET 78 0.233 -16.701 -0.962 630 HE3 MET 78 HE3 MET 78 -0.555 -15.225 -1.569 631 HA PRO 79 HA PRO 79 5.758 -10.287 -1.645 632 HB2 PRO 79 HB2 PRO 79 8.345 -10.686 -2.428 633 HB3 PRO 79 HB3 PRO 79 7.524 -11.717 -1.274 634 HG2 PRO 79 HG2 PRO 79 8.174 -12.257 -4.107 635 HG3 PRO 79 HG3 PRO 79 7.752 -13.394 -2.842 636 HD2 PRO 79 HD2 PRO 79 6.049 -12.470 -4.957 637 HD3 PRO 79 HD3 PRO 79 5.594 -13.515 -3.626 638 H ALA 80 H ALA 80 6.827 -10.277 -5.007 639 HA ALA 80 HA ALA 80 7.678 -7.591 -4.901 640 HB1 ALA 80 HB1 ALA 80 8.648 -8.666 -6.673 641 HB2 ALA 80 HB2 ALA 80 7.237 -9.716 -6.948 642 HB3 ALA 80 HB3 ALA 80 7.224 -8.036 -7.535 643 H GLY 81 H GLY 81 4.595 -9.231 -5.779 644 HA2 GLY 81 HA2 GLY 81 3.146 -7.331 -6.995 645 HA3 GLY 81 HA3 GLY 81 2.492 -8.385 -5.758 646 H LEU 82 H LEU 82 3.613 -7.547 -3.391 647 HA LEU 82 HA LEU 82 2.105 -5.396 -2.669 648 HB2 LEU 82 HB2 LEU 82 2.915 -5.809 -0.648 649 HB3 LEU 82 HB3 LEU 82 3.699 -7.180 -1.408 650 HG LEU 82 HG LEU 82 5.734 -5.726 -1.751 651 HD11 LEU 82 HD11 LEU 82 5.474 -3.825 0.246 652 HD12 LEU 82 HD12 LEU 82 5.459 -3.529 -1.509 653 HD13 LEU 82 HD13 LEU 82 3.926 -3.733 -0.628 654 HD21 LEU 82 HD21 LEU 82 4.778 -6.304 1.063 655 HD22 LEU 82 HD22 LEU 82 5.729 -7.365 -0.004 656 HD23 LEU 82 HD23 LEU 82 6.450 -5.869 0.637 657 H VAL 83 H VAL 83 5.589 -5.414 -3.670 658 HA VAL 83 HA VAL 83 6.011 -2.694 -3.361 659 HB VAL 83 HB VAL 83 7.239 -4.497 -5.451 660 HG11 VAL 83 HG11 VAL 83 8.346 -2.108 -3.936 661 HG12 VAL 83 HG12 VAL 83 9.229 -3.094 -5.126 662 HG13 VAL 83 HG13 VAL 83 7.829 -2.121 -5.639 663 HG21 VAL 83 HG21 VAL 83 8.987 -4.735 -3.461 664 HG22 VAL 83 HG22 VAL 83 7.531 -4.467 -2.473 665 HG23 VAL 83 HG23 VAL 83 7.591 -5.829 -3.617 666 H ALA 84 H ALA 84 4.534 -4.588 -6.025 667 HA ALA 84 HA ALA 84 4.483 -2.481 -7.884 668 HB1 ALA 84 HB1 ALA 84 2.591 -4.852 -7.638 669 HB2 ALA 84 HB2 ALA 84 2.974 -3.925 -9.109 670 HB3 ALA 84 HB3 ALA 84 4.221 -4.944 -8.349 671 H GLY 85 H GLY 85 2.457 -3.386 -5.106 672 HA2 GLY 85 HA2 GLY 85 0.192 -1.823 -5.814 673 HA3 GLY 85 HA3 GLY 85 0.590 -2.472 -4.235 674 H LEU 86 H LEU 86 2.889 -1.305 -3.419 675 HA LEU 86 HA LEU 86 2.127 1.213 -2.623 676 HB2 LEU 86 HB2 LEU 86 4.936 0.131 -2.882 677 HB3 LEU 86 HB3 LEU 86 4.431 1.479 -1.882 678 HG LEU 86 HG LEU 86 3.317 -1.306 -1.507 679 HD11 LEU 86 HD11 LEU 86 5.706 -1.529 -1.293 680 HD12 LEU 86 HD12 LEU 86 5.788 -0.101 -0.234 681 HD13 LEU 86 HD13 LEU 86 4.968 -1.578 0.326 682 HD21 LEU 86 HD21 LEU 86 2.346 -0.549 0.407 683 HD22 LEU 86 HD22 LEU 86 3.597 0.684 0.696 684 HD23 LEU 86 HD23 LEU 86 2.335 0.965 -0.528 685 H SER 87 H SER 87 4.181 0.203 -5.416 686 HA SER 87 HA SER 87 4.928 2.726 -6.188 687 HB2 SER 87 HB2 SER 87 5.845 0.571 -7.082 688 HB3 SER 87 HB3 SER 87 4.355 0.315 -7.969 689 HG SER 87 HG SER 87 5.841 2.752 -8.323 690 H LEU 88 H LEU 88 2.156 0.690 -7.388 691 HA LEU 88 HA LEU 88 1.072 2.438 -9.162 692 HB2 LEU 88 HB2 LEU 88 0.398 0.020 -8.054 693 HB3 LEU 88 HB3 LEU 88 -0.902 1.052 -7.492 694 HG LEU 88 HG LEU 88 -1.378 -0.162 -9.617 695 HD11 LEU 88 HD11 LEU 88 -2.553 1.617 -10.638 696 HD12 LEU 88 HD12 LEU 88 -2.472 2.011 -8.904 697 HD13 LEU 88 HD13 LEU 88 -1.387 2.829 -10.053 698 HD21 LEU 88 HD21 LEU 88 0.380 1.758 -11.099 699 HD22 LEU 88 HD22 LEU 88 1.088 0.276 -10.412 700 HD23 LEU 88 HD23 LEU 88 -0.244 0.164 -11.587 701 H MET 89 H MET 89 0.738 2.411 -5.576 702 HA MET 89 HA MET 89 -1.170 4.436 -5.500 703 HB2 MET 89 HB2 MET 89 0.643 2.983 -3.637 704 HB3 MET 89 HB3 MET 89 0.302 4.619 -3.109 705 HG2 MET 89 HG2 MET 89 -1.991 2.865 -4.033 706 HG3 MET 89 HG3 MET 89 -1.325 2.622 -2.430 707 HE1 MET 89 HE1 MET 89 -4.714 4.534 -2.321 708 HE2 MET 89 HE2 MET 89 -4.292 4.811 -4.028 709 HE3 MET 89 HE3 MET 89 -4.040 3.207 -3.298 710 H MET 90 H MET 90 2.441 4.485 -5.181 711 HA MET 90 HA MET 90 2.738 7.123 -4.595 712 HB2 MET 90 HB2 MET 90 4.424 5.047 -4.993 713 HB3 MET 90 HB3 MET 90 4.613 5.784 -6.572 714 HG2 MET 90 HG2 MET 90 5.131 7.994 -5.382 715 HG3 MET 90 HG3 MET 90 5.138 7.109 -3.869 716 HE1 MET 90 HE1 MET 90 6.416 7.929 -7.067 717 HE2 MET 90 HE2 MET 90 8.149 8.026 -6.672 718 HE3 MET 90 HE3 MET 90 7.516 6.623 -7.566 719 H ILE 91 H ILE 91 3.107 5.688 -7.926 720 HA ILE 91 HA ILE 91 3.253 8.049 -9.294 721 HB ILE 91 HB ILE 91 2.205 6.637 -11.182 722 HG12 ILE 91 HG12 ILE 91 2.844 4.131 -9.943 723 HG13 ILE 91 HG13 ILE 91 1.647 4.945 -8.956 724 HG21 ILE 91 HG21 ILE 91 4.803 6.375 -9.785 725 HG22 ILE 91 HG22 ILE 91 4.404 5.088 -10.948 726 HG23 ILE 91 HG23 ILE 91 4.436 6.787 -11.478 727 HD11 ILE 91 HD11 ILE 91 1.436 3.973 -11.789 728 HD12 ILE 91 HD12 ILE 91 0.228 3.935 -10.482 729 HD13 ILE 91 HD13 ILE 91 0.539 5.450 -11.363 730 H LEU 92 H LEU 92 0.309 6.191 -8.317 731 HA LEU 92 HA LEU 92 -1.564 7.747 -9.589 732 HB2 LEU 92 HB2 LEU 92 -2.095 5.647 -8.568 733 HB3 LEU 92 HB3 LEU 92 -1.669 6.242 -6.976 734 HG LEU 92 HG LEU 92 -3.573 7.954 -7.303 735 HD11 LEU 92 HD11 LEU 92 -4.342 7.954 -9.425 736 HD12 LEU 92 HD12 LEU 92 -3.889 6.256 -9.711 737 HD13 LEU 92 HD13 LEU 92 -5.378 6.641 -8.814 738 HD21 LEU 92 HD21 LEU 92 -5.287 5.980 -6.829 739 HD22 LEU 92 HD22 LEU 92 -3.780 5.042 -6.692 740 HD23 LEU 92 HD23 LEU 92 -4.044 6.460 -5.649 741 H ARG 93 H ARG 93 0.171 8.289 -6.488 742 HA ARG 93 HA ARG 93 -1.385 10.518 -5.812 743 HB2 ARG 93 HB2 ARG 93 1.260 9.366 -4.877 744 HB3 ARG 93 HB3 ARG 93 0.786 10.957 -4.318 745 HG2 ARG 93 HG2 ARG 93 -1.351 10.037 -3.439 746 HG3 ARG 93 HG3 ARG 93 -0.938 8.448 -4.051 747 HD2 ARG 93 HD2 ARG 93 0.183 8.011 -2.127 748 HD3 ARG 93 HD3 ARG 93 1.307 9.304 -2.495 749 HE ARG 93 HE ARG 93 -1.025 10.535 -1.460 750 HH11 ARG 93 HH22 ARG 93 1.473 8.320 -0.349 751 HH12 ARG 93 HH21 ARG 93 1.353 8.813 1.307 752 HH21 ARG 93 HH12 ARG 93 -1.184 11.186 0.725 753 HH22 ARG 93 HH11 ARG 93 -0.169 10.454 1.922 754 H LEU 94 H LEU 94 1.487 9.951 -7.817 755 HA LEU 94 HA LEU 94 2.714 12.374 -7.838 756 HB2 LEU 94 HB2 LEU 94 3.030 10.082 -9.159 757 HB3 LEU 94 HB3 LEU 94 2.276 11.006 -10.444 758 HG LEU 94 HG LEU 94 4.079 12.793 -9.974 759 HD11 LEU 94 HD11 LEU 94 6.191 11.902 -9.043 760 HD12 LEU 94 HD12 LEU 94 4.878 11.980 -7.843 761 HD13 LEU 94 HD13 LEU 94 5.330 10.418 -8.568 762 HD21 LEU 94 HD21 LEU 94 4.331 10.198 -11.399 763 HD22 LEU 94 HD22 LEU 94 4.391 11.866 -12.017 764 HD23 LEU 94 HD23 LEU 94 5.813 11.165 -11.208 765 H VAL 95 H VAL 95 -0.235 11.378 -9.679 766 HA VAL 95 HA VAL 95 -0.502 14.016 -10.785 767 HB VAL 95 HB VAL 95 -2.281 11.571 -10.822 768 HG11 VAL 95 HG11 VAL 95 -3.330 13.944 -11.174 769 HG12 VAL 95 HG12 VAL 95 -2.522 13.862 -12.758 770 HG13 VAL 95 HG13 VAL 95 -3.721 12.626 -12.305 771 HG21 VAL 95 HG21 VAL 95 -1.282 12.129 -13.390 772 HG22 VAL 95 HG22 VAL 95 0.107 12.311 -12.291 773 HG23 VAL 95 HG23 VAL 95 -0.816 10.789 -12.315 774 H LEU 96 H LEU 96 -1.988 12.020 -8.181 775 HA LEU 96 HA LEU 96 -4.126 13.541 -7.520 776 HB2 LEU 96 HB2 LEU 96 -3.274 11.367 -6.526 777 HB3 LEU 96 HB3 LEU 96 -2.245 12.339 -5.494 778 HG LEU 96 HG LEU 96 -4.496 13.538 -4.846 779 HD11 LEU 96 HD11 LEU 96 -5.704 10.847 -5.343 780 HD12 LEU 96 HD12 LEU 96 -6.479 12.440 -5.165 781 HD13 LEU 96 HD13 LEU 96 -5.641 12.023 -6.679 782 HD21 LEU 96 HD21 LEU 96 -3.180 11.089 -3.849 783 HD22 LEU 96 HD22 LEU 96 -3.587 12.607 -3.013 784 HD23 LEU 96 HD23 LEU 96 -4.837 11.364 -3.257 785 H LEU 97 H LEU 97 -0.680 14.295 -7.096 786 HA LEU 97 HA LEU 97 -0.747 16.218 -5.183 787 HB2 LEU 97 HB2 LEU 97 1.246 15.340 -6.332 788 HB3 LEU 97 HB3 LEU 97 0.825 16.259 -7.763 789 HG LEU 97 HG LEU 97 0.873 18.144 -5.674 790 HD11 LEU 97 HD11 LEU 97 3.004 17.884 -4.601 791 HD12 LEU 97 HD12 LEU 97 2.044 16.411 -4.318 792 HD13 LEU 97 HD13 LEU 97 3.348 16.405 -5.529 793 HD21 LEU 97 HD21 LEU 97 2.271 19.265 -7.064 794 HD22 LEU 97 HD22 LEU 97 3.275 17.834 -7.401 795 HD23 LEU 97 HD23 LEU 97 1.704 18.031 -8.215 796 H LEU 98 H LEU 98 -1.845 16.431 -8.591 797 HA LEU 98 HA LEU 98 -2.264 19.227 -8.517 798 HB2 LEU 98 HB2 LEU 98 -2.638 17.004 -10.361 799 HB3 LEU 98 HB3 LEU 98 -3.948 18.164 -10.452 800 HG LEU 98 HG LEU 98 -1.891 19.888 -10.530 801 HD11 LEU 98 HD11 LEU 98 -0.593 17.381 -10.744 802 HD12 LEU 98 HD12 LEU 98 -0.527 18.143 -12.351 803 HD13 LEU 98 HD13 LEU 98 0.104 19.009 -10.930 804 HD21 LEU 98 HD21 LEU 98 -2.182 18.871 -13.198 805 HD22 LEU 98 HD22 LEU 98 -3.750 18.797 -12.359 806 HD23 LEU 98 HD23 LEU 98 -2.870 20.340 -12.466 807 H LEU 99 H LEU 99 -4.231 16.338 -7.724 808 HA LEU 99 HA LEU 99 -6.659 17.748 -7.472 809 HB2 LEU 99 HB2 LEU 99 -5.620 15.052 -6.953 810 HB3 LEU 99 HB3 LEU 99 -6.896 15.545 -5.857 811 HG LEU 99 HG LEU 99 -7.707 14.290 -7.830 812 HD11 LEU 99 HD11 LEU 99 -8.643 17.058 -7.195 813 HD12 LEU 99 HD12 LEU 99 -9.391 16.191 -8.558 814 HD13 LEU 99 HD13 LEU 99 -9.434 15.486 -6.924 815 HD21 LEU 99 HD21 LEU 99 -7.828 15.640 -10.010 816 HD22 LEU 99 HD22 LEU 99 -6.503 16.613 -9.328 817 HD23 LEU 99 HD23 LEU 99 -6.281 14.867 -9.591 Start of MODEL 17 1 H MET 1 H1 MET 1 -9.807 -13.400 -24.941 2 HA MET 1 HA MET 1 -10.838 -15.333 -25.204 3 HB2 MET 1 HB2 MET 1 -10.951 -17.033 -23.386 4 HB3 MET 1 HB3 MET 1 -9.324 -16.392 -23.499 5 HG2 MET 1 HG2 MET 1 -11.297 -15.083 -21.606 6 HG3 MET 1 HG3 MET 1 -10.522 -16.582 -21.132 7 HE1 MET 1 HE1 MET 1 -9.911 -14.423 -19.190 8 HE2 MET 1 HE2 MET 1 -9.055 -15.982 -19.266 9 HE3 MET 1 HE3 MET 1 -8.133 -14.467 -19.118 10 H ASP 2 H ASP 2 -13.041 -16.333 -24.620 11 HA ASP 2 HA ASP 2 -15.165 -16.047 -24.288 12 HB2 ASP 2 HB2 ASP 2 -14.050 -14.697 -21.807 13 HB3 ASP 2 HB3 ASP 2 -15.782 -14.739 -22.075 14 H LEU 3 H LEU 3 -15.648 -14.669 -26.110 15 HA LEU 3 HA LEU 3 -15.771 -11.806 -25.459 16 HB2 LEU 3 HB2 LEU 3 -14.188 -12.906 -27.350 17 HB3 LEU 3 HB3 LEU 3 -15.645 -12.654 -28.291 18 HG LEU 3 HG LEU 3 -14.717 -10.350 -26.652 19 HD11 LEU 3 HD11 LEU 3 -13.329 -10.276 -29.171 20 HD12 LEU 3 HD12 LEU 3 -12.689 -10.115 -27.517 21 HD13 LEU 3 HD13 LEU 3 -12.850 -11.727 -28.257 22 HD21 LEU 3 HD21 LEU 3 -16.728 -10.541 -28.315 23 HD22 LEU 3 HD22 LEU 3 -15.734 -9.066 -28.270 24 HD23 LEU 3 HD23 LEU 3 -15.477 -10.274 -29.552 25 H ILE 4 H ILE 4 -17.882 -11.766 -24.665 26 HA ILE 4 HA ILE 4 -19.902 -11.929 -26.690 27 HB ILE 4 HB ILE 4 -19.691 -14.280 -25.966 28 HG12 ILE 4 HG12 ILE 4 -22.350 -13.569 -24.909 29 HG13 ILE 4 HG13 ILE 4 -21.958 -12.804 -26.436 30 HG21 ILE 4 HG21 ILE 4 -20.983 -13.815 -23.360 31 HG22 ILE 4 HG22 ILE 4 -19.725 -14.981 -23.836 32 HG23 ILE 4 HG23 ILE 4 -19.281 -13.300 -23.456 33 HD11 ILE 4 HD11 ILE 4 -22.993 -14.927 -26.951 34 HD12 ILE 4 HD12 ILE 4 -21.259 -15.098 -27.313 35 HD13 ILE 4 HD13 ILE 4 -21.927 -15.788 -25.815 36 H GLY 5 H GLY 5 -20.522 -9.830 -26.389 37 HA2 GLY 5 HA2 GLY 5 -21.344 -8.002 -25.373 38 HA3 GLY 5 HA3 GLY 5 -22.175 -9.109 -24.298 39 H PHE 6 H PHE 6 -18.823 -7.803 -24.853 40 HA PHE 6 HA PHE 6 -17.971 -8.273 -22.232 41 HB2 PHE 6 HB2 PHE 6 -16.859 -7.541 -24.623 42 HB3 PHE 6 HB3 PHE 6 -16.992 -5.942 -23.917 43 HD1 PHE 6 HD2 PHE 6 -15.898 -9.328 -22.755 44 HD2 PHE 6 HD1 PHE 6 -15.066 -5.171 -22.939 45 HE1 PHE 6 HE2 PHE 6 -13.754 -9.702 -21.505 46 HE2 PHE 6 HE1 PHE 6 -12.922 -5.545 -21.688 47 HZ PHE 6 HZ PHE 6 -12.291 -7.806 -20.986 48 H GLY 7 H GLY 7 -18.977 -5.173 -23.856 49 HA2 GLY 7 HA2 GLY 7 -18.771 -3.367 -21.909 50 HA3 GLY 7 HA3 GLY 7 -20.156 -3.435 -22.981 51 H TYR 8 H TYR 8 -21.674 -5.544 -22.247 52 HA TYR 8 HA TYR 8 -23.052 -4.724 -20.049 53 HB2 TYR 8 HB2 TYR 8 -23.325 -6.602 -21.973 54 HB3 TYR 8 HB3 TYR 8 -22.643 -7.671 -20.763 55 HD1 TYR 8 HD2 TYR 8 -23.839 -7.574 -18.384 56 HD2 TYR 8 HD1 TYR 8 -25.637 -6.356 -22.070 57 HE1 TYR 8 HE2 TYR 8 -26.149 -7.891 -17.370 58 HE2 TYR 8 HE1 TYR 8 -27.941 -6.677 -21.044 59 HH TYR 8 HH TYR 8 -28.834 -8.224 -19.075 60 H ALA 9 H ALA 9 -20.484 -7.288 -20.181 61 HA ALA 9 HA ALA 9 -20.627 -8.010 -17.510 62 HB1 ALA 9 HB1 ALA 9 -19.306 -8.928 -19.642 63 HB2 ALA 9 HB2 ALA 9 -17.987 -7.963 -18.936 64 HB3 ALA 9 HB3 ALA 9 -18.746 -9.262 -17.986 65 H ALA 10 H ALA 10 -19.007 -5.274 -19.155 66 HA ALA 10 HA ALA 10 -17.473 -4.511 -16.899 67 HB1 ALA 10 HB1 ALA 10 -17.597 -3.874 -19.603 68 HB2 ALA 10 HB2 ALA 10 -18.183 -2.392 -18.809 69 HB3 ALA 10 HB3 ALA 10 -16.587 -3.058 -18.385 70 H LEU 11 H LEU 11 -20.803 -3.987 -18.002 71 HA LEU 11 HA LEU 11 -21.285 -1.732 -16.355 72 HB2 LEU 11 HB2 LEU 11 -22.647 -1.981 -18.236 73 HB3 LEU 11 HB3 LEU 11 -22.990 -3.665 -17.893 74 HG LEU 11 HG LEU 11 -24.012 -2.344 -15.670 75 HD11 LEU 11 HD11 LEU 11 -25.601 -0.716 -17.069 76 HD12 LEU 11 HD12 LEU 11 -24.078 -0.171 -16.326 77 HD13 LEU 11 HD13 LEU 11 -24.129 -0.572 -18.059 78 HD21 LEU 11 HD21 LEU 11 -26.244 -2.737 -17.020 79 HD22 LEU 11 HD22 LEU 11 -25.154 -3.595 -18.135 80 HD23 LEU 11 HD23 LEU 11 -25.265 -4.102 -16.432 81 H VAL 12 H VAL 12 -21.925 -5.283 -16.046 82 HA VAL 12 HA VAL 12 -23.182 -5.133 -13.570 83 HB VAL 12 HB VAL 12 -21.543 -7.313 -14.873 84 HG11 VAL 12 HG11 VAL 12 -21.974 -7.371 -12.272 85 HG12 VAL 12 HG12 VAL 12 -23.611 -7.864 -12.768 86 HG13 VAL 12 HG13 VAL 12 -22.201 -8.831 -13.265 87 HG21 VAL 12 HG21 VAL 12 -24.553 -6.945 -14.721 88 HG22 VAL 12 HG22 VAL 12 -23.546 -6.531 -16.130 89 HG23 VAL 12 HG23 VAL 12 -23.670 -8.223 -15.591 90 H THR 13 H THR 13 -19.700 -5.629 -14.447 91 HA THR 13 HA THR 13 -18.726 -5.931 -11.874 92 HB THR 13 HB THR 13 -17.604 -4.859 -14.497 93 HG1 THR 13 HG1 THR 13 -17.330 -7.050 -14.604 94 HG21 THR 13 HG21 THR 13 -16.402 -4.737 -11.782 95 HG22 THR 13 HG22 THR 13 -15.435 -5.676 -12.944 96 HG23 THR 13 HG23 THR 13 -15.848 -3.980 -13.295 97 H PHE 14 H PHE 14 -18.932 -2.859 -13.799 98 HA PHE 14 HA PHE 14 -17.990 -1.181 -11.872 99 HB2 PHE 14 HB2 PHE 14 -19.039 -1.000 -14.398 100 HB3 PHE 14 HB3 PHE 14 -20.438 -0.434 -13.507 101 HD1 PHE 14 HD1 PHE 14 -16.744 0.163 -13.424 102 HD2 PHE 14 HD2 PHE 14 -20.638 1.848 -13.378 103 HE1 PHE 14 HE1 PHE 14 -15.747 2.464 -13.320 104 HE2 PHE 14 HE2 PHE 14 -19.642 4.149 -13.273 105 HZ PHE 14 HZ PHE 14 -17.208 4.430 -13.246 106 H GLY 15 H GLY 15 -21.494 -1.955 -12.497 107 HA2 GLY 15 HA2 GLY 15 -22.576 -0.534 -10.392 108 HA3 GLY 15 HA3 GLY 15 -23.269 -1.970 -11.118 109 H SER 16 H SER 16 -22.096 -4.140 -10.413 110 HA SER 16 HA SER 16 -22.639 -4.659 -7.881 111 HB2 SER 16 HB2 SER 16 -20.817 -5.840 -9.899 112 HB3 SER 16 HB3 SER 16 -20.407 -6.272 -8.251 113 HG SER 16 HG SER 16 -22.041 -7.654 -9.478 114 H ILE 17 H ILE 17 -19.291 -3.825 -9.057 115 HA ILE 17 HA ILE 17 -18.020 -3.777 -6.649 116 HB ILE 17 HB ILE 17 -17.647 -2.504 -9.287 117 HG12 ILE 17 HG12 ILE 17 -15.499 -3.618 -9.164 118 HG13 ILE 17 HG13 ILE 17 -15.732 -3.988 -7.467 119 HG21 ILE 17 HG21 ILE 17 -15.567 -1.322 -8.335 120 HG22 ILE 17 HG22 ILE 17 -17.152 -0.535 -8.141 121 HG23 ILE 17 HG23 ILE 17 -16.414 -1.400 -6.771 122 HD11 ILE 17 HD11 ILE 17 -17.862 -5.262 -8.163 123 HD12 ILE 17 HD12 ILE 17 -17.286 -5.092 -9.839 124 HD13 ILE 17 HD13 ILE 17 -16.313 -5.990 -8.650 125 H PHE 18 H PHE 18 -19.932 -1.132 -8.209 126 HA PHE 18 HA PHE 18 -19.444 0.827 -6.347 127 HB2 PHE 18 HB2 PHE 18 -20.831 0.635 -8.639 128 HB3 PHE 18 HB3 PHE 18 -22.185 0.280 -7.585 129 HD1 PHE 18 HD2 PHE 18 -19.420 2.795 -7.757 130 HD2 PHE 18 HD1 PHE 18 -23.542 2.059 -7.070 131 HE1 PHE 18 HE2 PHE 18 -19.802 5.253 -7.421 132 HE2 PHE 18 HE1 PHE 18 -23.925 4.517 -6.734 133 HZ PHE 18 HZ PHE 18 -22.050 6.084 -6.913 134 H GLY 19 H GLY 19 -21.800 -1.892 -6.276 135 HA2 GLY 19 HA2 GLY 19 -23.079 -0.961 -3.872 136 HA3 GLY 19 HA3 GLY 19 -23.326 -2.485 -4.700 137 H TYR 20 H TYR 20 -20.192 -2.787 -4.692 138 HA TYR 20 HA TYR 20 -18.880 -4.167 -3.504 139 HB2 TYR 20 HB2 TYR 20 -18.680 -1.656 -2.689 140 HB3 TYR 20 HB3 TYR 20 -19.593 -2.165 -1.282 141 HD1 TYR 20 HD2 TYR 20 -16.387 -2.557 -3.088 142 HD2 TYR 20 HD1 TYR 20 -18.566 -3.443 0.485 143 HE1 TYR 20 HE2 TYR 20 -14.237 -3.303 -1.954 144 HE2 TYR 20 HE1 TYR 20 -16.409 -4.186 1.608 145 HH TYR 20 HH TYR 20 -13.607 -4.817 -0.115 146 H LYS 21 H LYS 21 -20.087 -6.107 -3.286 147 HA LYS 21 HA LYS 21 -21.374 -6.374 -0.658 148 HB2 LYS 21 HB2 LYS 21 -22.872 -8.051 -1.720 149 HB3 LYS 21 HB3 LYS 21 -23.101 -6.420 -2.317 150 HG2 LYS 21 HG2 LYS 21 -22.635 -7.082 -4.434 151 HG3 LYS 21 HG3 LYS 21 -21.067 -7.687 -3.936 152 HD2 LYS 21 HD2 LYS 21 -22.407 -9.762 -3.022 153 HD3 LYS 21 HD3 LYS 21 -23.710 -9.179 -4.038 154 HE2 LYS 21 HE2 LYS 21 -22.573 -9.645 -6.021 155 HE3 LYS 21 HE3 LYS 21 -20.994 -9.366 -5.314 156 HZ1 LYS 21 HZ1 LYS 21 -22.587 -11.763 -5.314 157 HZ2 LYS 21 HZ2 LYS 21 -20.964 -11.590 -5.367 158 HZ3 LYS 21 HZ3 LYS 21 -21.753 -11.471 -3.941 159 H ARG 22 H ARG 22 -19.686 -7.232 0.518 160 HA ARG 22 HA ARG 22 -18.361 -8.770 1.266 161 HB2 ARG 22 HB2 ARG 22 -20.283 -10.285 -0.032 162 HB3 ARG 22 HB3 ARG 22 -18.828 -10.843 -0.834 163 HG2 ARG 22 HG2 ARG 22 -17.816 -11.131 1.542 164 HG3 ARG 22 HG3 ARG 22 -19.446 -10.911 2.148 165 HD2 ARG 22 HD2 ARG 22 -20.239 -12.843 0.801 166 HD3 ARG 22 HD3 ARG 22 -18.644 -13.039 0.103 167 HE ARG 22 HE ARG 22 -18.162 -13.145 2.834 168 HH11 ARG 22 HH22 ARG 22 -20.301 -14.890 0.652 169 HH12 ARG 22 HH21 ARG 22 -20.290 -16.342 1.597 170 HH21 ARG 22 HH12 ARG 22 -18.146 -15.060 4.080 171 HH22 ARG 22 HH11 ARG 22 -19.056 -16.439 3.560 172 H ARG 23 H ARG 23 -16.278 -8.014 0.897 173 HA ARG 23 HA ARG 23 -14.954 -9.069 -1.404 174 HB2 ARG 23 HB2 ARG 23 -15.560 -6.141 -1.055 175 HB3 ARG 23 HB3 ARG 23 -13.953 -6.542 -1.627 176 HG2 ARG 23 HG2 ARG 23 -15.591 -8.207 -3.173 177 HG3 ARG 23 HG3 ARG 23 -16.549 -6.747 -3.029 178 HD2 ARG 23 HD2 ARG 23 -15.278 -5.887 -4.712 179 HD3 ARG 23 HD3 ARG 23 -13.980 -5.750 -3.542 180 HE ARG 23 HE ARG 23 -14.113 -8.437 -4.627 181 HH11 ARG 23 HH22 ARG 23 -13.020 -5.173 -5.358 182 HH12 ARG 23 HH21 ARG 23 -11.790 -5.694 -6.461 183 HH21 ARG 23 HH12 ARG 23 -12.491 -9.125 -6.082 184 HH22 ARG 23 HH11 ARG 23 -11.488 -7.958 -6.876 185 H GLY 24 H GLY 24 -12.721 -9.398 -0.980 186 HA2 GLY 24 HA2 GLY 24 -10.840 -8.301 0.359 187 HA3 GLY 24 HA3 GLY 24 -11.862 -8.649 1.740 188 H GLY 25 H GLY 25 -9.325 -9.762 1.667 189 HA2 GLY 25 HA2 GLY 25 -9.775 -12.457 2.110 190 HA3 GLY 25 HA3 GLY 25 -9.232 -12.326 0.449 191 H VAL 26 H VAL 26 -7.119 -11.312 -0.014 192 HA VAL 26 HA VAL 26 -5.051 -12.254 1.384 193 HB VAL 26 HB VAL 26 -3.708 -10.461 0.380 194 HG11 VAL 26 HG11 VAL 26 -3.865 -11.884 -1.344 195 HG12 VAL 26 HG12 VAL 26 -5.594 -12.182 -1.046 196 HG13 VAL 26 HG13 VAL 26 -5.086 -10.775 -2.011 197 HG21 VAL 26 HG21 VAL 26 -5.281 -8.933 -1.196 198 HG22 VAL 26 HG22 VAL 26 -6.360 -9.129 0.206 199 HG23 VAL 26 HG23 VAL 26 -4.736 -8.435 0.424 200 HA PRO 27 HA PRO 27 -5.623 -9.988 5.145 201 HB2 PRO 27 HB2 PRO 27 -4.424 -11.816 6.786 202 HB3 PRO 27 HB3 PRO 27 -6.134 -11.846 6.405 203 HG2 PRO 27 HG2 PRO 27 -3.977 -13.595 5.390 204 HG3 PRO 27 HG3 PRO 27 -5.709 -13.861 5.365 205 HD2 PRO 27 HD2 PRO 27 -4.065 -13.059 3.156 206 HD3 PRO 27 HD3 PRO 27 -5.811 -13.213 3.162 207 H SER 28 H SER 28 -4.137 -8.528 3.854 208 HA SER 28 HA SER 28 -2.021 -7.938 5.537 209 HB2 SER 28 HB2 SER 28 -1.373 -9.672 3.172 210 HB3 SER 28 HB3 SER 28 -0.269 -8.356 3.517 211 HG SER 28 HG SER 28 -0.761 -9.498 5.887 212 H LEU 29 H LEU 29 -2.460 -7.958 1.917 213 HA LEU 29 HA LEU 29 -1.602 -5.472 1.358 214 HB2 LEU 29 HB2 LEU 29 -2.654 -7.419 -0.075 215 HB3 LEU 29 HB3 LEU 29 -4.102 -6.438 0.038 216 HG LEU 29 HG LEU 29 -2.439 -4.516 -0.765 217 HD11 LEU 29 HD11 LEU 29 -0.732 -5.253 -2.258 218 HD12 LEU 29 HD12 LEU 29 -0.479 -6.080 -0.703 219 HD13 LEU 29 HD13 LEU 29 -1.212 -6.956 -2.068 220 HD21 LEU 29 HD21 LEU 29 -3.803 -6.592 -2.492 221 HD22 LEU 29 HD22 LEU 29 -4.440 -5.022 -1.946 222 HD23 LEU 29 HD23 LEU 29 -3.109 -5.080 -3.126 223 H ILE 30 H ILE 30 -4.962 -6.351 2.405 224 HA ILE 30 HA ILE 30 -6.057 -3.848 2.324 225 HB ILE 30 HB ILE 30 -6.948 -6.261 2.963 226 HG12 ILE 30 HG12 ILE 30 -8.221 -4.174 2.331 227 HG13 ILE 30 HG13 ILE 30 -9.051 -5.281 3.407 228 HG21 ILE 30 HG21 ILE 30 -6.550 -4.907 5.643 229 HG22 ILE 30 HG22 ILE 30 -7.642 -6.284 5.360 230 HG23 ILE 30 HG23 ILE 30 -5.890 -6.470 5.105 231 HD11 ILE 30 HD11 ILE 30 -8.839 -2.607 3.886 232 HD12 ILE 30 HD12 ILE 30 -9.009 -3.816 5.181 233 HD13 ILE 30 HD13 ILE 30 -7.398 -3.188 4.756 234 H ALA 31 H ALA 31 -4.197 -5.392 5.023 235 HA ALA 31 HA ALA 31 -4.410 -3.308 6.821 236 HB1 ALA 31 HB1 ALA 31 -3.079 -4.662 8.045 237 HB2 ALA 31 HB2 ALA 31 -3.163 -5.789 6.671 238 HB3 ALA 31 HB3 ALA 31 -1.798 -4.655 6.809 239 H GLY 32 H GLY 32 -2.270 -3.764 3.984 240 HA2 GLY 32 HA2 GLY 32 -0.540 -1.584 4.573 241 HA3 GLY 32 HA3 GLY 32 -0.721 -2.420 3.044 242 H LEU 33 H LEU 33 -3.715 -1.946 2.980 243 HA LEU 33 HA LEU 33 -3.565 0.626 1.727 244 HB2 LEU 33 HB2 LEU 33 -5.500 -1.618 1.899 245 HB3 LEU 33 HB3 LEU 33 -6.164 -0.026 1.587 246 HG LEU 33 HG LEU 33 -4.245 0.022 -0.265 247 HD11 LEU 33 HD11 LEU 33 -3.125 -1.923 -0.294 248 HD12 LEU 33 HD12 LEU 33 -4.420 -2.807 0.549 249 HD13 LEU 33 HD13 LEU 33 -4.536 -2.516 -1.203 250 HD21 LEU 33 HD21 LEU 33 -5.897 -0.626 -1.903 251 HD22 LEU 33 HD22 LEU 33 -6.853 -1.469 -0.660 252 HD23 LEU 33 HD23 LEU 33 -6.683 0.302 -0.603 253 H PHE 34 H PHE 34 -4.795 -0.782 4.767 254 HA PHE 34 HA PHE 34 -6.343 1.461 5.491 255 HB2 PHE 34 HB2 PHE 34 -6.033 -1.121 6.332 256 HB3 PHE 34 HB3 PHE 34 -4.940 -0.365 7.474 257 HD1 PHE 34 HD2 PHE 34 -5.835 1.405 9.026 258 HD2 PHE 34 HD1 PHE 34 -8.376 -1.004 6.629 259 HE1 PHE 34 HE2 PHE 34 -7.780 1.990 10.501 260 HE2 PHE 34 HE1 PHE 34 -10.321 -0.419 8.104 261 HZ PHE 34 HZ PHE 34 -10.000 1.071 10.023 262 H VAL 35 H VAL 35 -2.972 0.386 6.260 263 HA VAL 35 HA VAL 35 -2.472 2.562 7.996 264 HB VAL 35 HB VAL 35 -1.309 0.388 8.044 265 HG11 VAL 35 HG11 VAL 35 0.328 -0.241 6.424 266 HG12 VAL 35 HG12 VAL 35 -1.155 0.169 5.529 267 HG13 VAL 35 HG13 VAL 35 0.198 1.324 5.586 268 HG21 VAL 35 HG21 VAL 35 0.456 2.823 7.622 269 HG22 VAL 35 HG22 VAL 35 -0.282 2.284 9.149 270 HG23 VAL 35 HG23 VAL 35 0.984 1.300 8.376 271 H GLY 36 H GLY 36 -1.750 1.882 4.516 272 HA2 GLY 36 HA2 GLY 36 -0.269 4.150 3.943 273 HA3 GLY 36 HA3 GLY 36 -1.276 3.267 2.812 274 H CYS 37 H CYS 37 -3.866 3.643 3.734 275 HA CYS 37 HA CYS 37 -4.405 6.219 2.825 276 HB2 CYS 37 HB2 CYS 37 -5.960 3.927 3.855 277 HB3 CYS 37 HB3 CYS 37 -6.709 5.488 4.129 278 HG CYS 37 HG CYS 37 -6.601 3.721 1.594 279 H LEU 38 H LEU 38 -4.750 4.728 6.136 280 HA LEU 38 HA LEU 38 -5.512 6.870 7.564 281 HB2 LEU 38 HB2 LEU 38 -5.357 4.850 8.678 282 HB3 LEU 38 HB3 LEU 38 -3.705 4.563 8.169 283 HG LEU 38 HG LEU 38 -3.576 6.899 9.721 284 HD11 LEU 38 HD11 LEU 38 -4.949 6.777 11.495 285 HD12 LEU 38 HD12 LEU 38 -5.971 5.812 10.404 286 HD13 LEU 38 HD13 LEU 38 -4.887 5.000 11.559 287 HD21 LEU 38 HD21 LEU 38 -2.150 4.653 9.467 288 HD22 LEU 38 HD22 LEU 38 -1.982 5.753 10.856 289 HD23 LEU 38 HD23 LEU 38 -2.974 4.282 11.000 290 H ALA 39 H ALA 39 -2.144 6.115 6.492 291 HA ALA 39 HA ALA 39 -0.932 8.266 7.783 292 HB1 ALA 39 HB1 ALA 39 0.143 7.406 5.146 293 HB2 ALA 39 HB2 ALA 39 0.941 7.495 6.734 294 HB3 ALA 39 HB3 ALA 39 -0.105 6.110 6.341 295 H GLY 40 H GLY 40 -1.769 7.968 4.252 296 HA2 GLY 40 HA2 GLY 40 -1.334 10.605 3.568 297 HA3 GLY 40 HA3 GLY 40 -2.439 9.510 2.761 298 H TYR 41 H TYR 41 -4.680 9.247 3.736 299 HA TYR 41 HA TYR 41 -6.044 11.553 3.880 300 HB2 TYR 41 HB2 TYR 41 -6.278 8.728 4.878 301 HB3 TYR 41 HB3 TYR 41 -7.353 9.844 5.697 302 HD1 TYR 41 HD2 TYR 41 -6.497 8.343 2.427 303 HD2 TYR 41 HD1 TYR 41 -9.269 10.793 4.575 304 HE1 TYR 41 HE2 TYR 41 -8.148 8.176 0.501 305 HE2 TYR 41 HE1 TYR 41 -10.910 10.619 2.642 306 HH TYR 41 HH TYR 41 -11.355 8.978 0.803 307 H GLY 42 H GLY 42 -4.806 9.719 6.765 308 HA2 GLY 42 HA2 GLY 42 -5.710 11.318 8.778 309 HA3 GLY 42 HA3 GLY 42 -4.184 10.457 8.801 310 H ALA 43 H ALA 43 -2.419 11.628 7.244 311 HA ALA 43 HA ALA 43 -1.725 13.972 8.501 312 HB1 ALA 43 HB1 ALA 43 -0.768 13.746 5.728 313 HB2 ALA 43 HB2 ALA 43 0.144 13.712 7.256 314 HB3 ALA 43 HB3 ALA 43 -0.624 12.227 6.644 315 H TYR 44 H TYR 44 -3.955 13.379 5.821 316 HA TYR 44 HA TYR 44 -3.958 16.024 4.814 317 HB2 TYR 44 HB2 TYR 44 -4.935 13.495 4.156 318 HB3 TYR 44 HB3 TYR 44 -6.402 14.251 4.744 319 HD1 TYR 44 HD2 TYR 44 -7.041 16.554 3.691 320 HD2 TYR 44 HD1 TYR 44 -4.250 13.825 1.938 321 HE1 TYR 44 HE2 TYR 44 -7.369 17.661 1.426 322 HE2 TYR 44 HE1 TYR 44 -4.588 14.942 -0.321 323 HH TYR 44 HH TYR 44 -7.115 17.246 -0.832 324 H ARG 45 H ARG 45 -5.829 14.275 7.338 325 HA ARG 45 HA ARG 45 -7.489 16.590 7.687 326 HB2 ARG 45 HB2 ARG 45 -8.557 15.132 9.502 327 HB3 ARG 45 HB3 ARG 45 -8.633 14.468 7.882 328 HG2 ARG 45 HG2 ARG 45 -6.808 12.938 8.315 329 HG3 ARG 45 HG3 ARG 45 -6.374 13.760 9.800 330 HD2 ARG 45 HD2 ARG 45 -7.830 12.487 10.992 331 HD3 ARG 45 HD3 ARG 45 -9.163 12.974 9.965 332 HE ARG 45 HE ARG 45 -7.620 10.493 9.763 333 HH11 ARG 45 HH22 ARG 45 -9.685 12.746 8.020 334 HH12 ARG 45 HH21 ARG 45 -10.188 11.576 6.846 335 HH21 ARG 45 HH12 ARG 45 -8.282 8.949 8.214 336 HH22 ARG 45 HH11 ARG 45 -9.384 9.402 6.957 337 H VAL 46 H VAL 46 -4.804 14.818 9.263 338 HA VAL 46 HA VAL 46 -4.698 16.959 11.276 339 HB VAL 46 HB VAL 46 -3.764 15.353 12.816 340 HG11 VAL 46 HG11 VAL 46 -6.432 14.952 11.590 341 HG12 VAL 46 HG12 VAL 46 -5.849 13.620 12.617 342 HG13 VAL 46 HG13 VAL 46 -5.977 15.266 13.282 343 HG21 VAL 46 HG21 VAL 46 -4.287 13.120 10.851 344 HG22 VAL 46 HG22 VAL 46 -2.715 13.953 10.919 345 HG23 VAL 46 HG23 VAL 46 -3.330 13.094 12.351 346 H SER 47 H SER 47 -2.041 15.651 12.117 347 HA SER 47 HA SER 47 -0.336 15.725 9.934 348 HB2 SER 47 HB2 SER 47 -1.149 18.319 10.750 349 HB3 SER 47 HB3 SER 47 0.465 18.120 11.403 350 HG SER 47 HG SER 47 0.746 17.174 8.986 351 H ASN 48 H ASN 48 -0.613 16.789 13.400 352 HA ASN 48 HA ASN 48 0.453 16.209 15.195 353 HB2 ASN 48 HB2 ASN 48 0.944 13.729 13.507 354 HB3 ASN 48 HB3 ASN 48 1.719 13.862 15.074 355 HD21 ASN 48 HD21 ASN 48 0.671 12.630 16.436 356 HD22 ASN 48 HD22 ASN 48 -1.041 12.568 16.690 357 H ASP 49 H ASP 49 2.745 14.436 13.030 358 HA ASP 49 HA ASP 49 4.541 16.581 12.813 359 HB2 ASP 49 HB2 ASP 49 5.153 16.196 15.092 360 HB3 ASP 49 HB3 ASP 49 5.020 14.456 14.926 361 H LYS 50 H LYS 50 4.069 15.615 10.601 362 HA LYS 50 HA LYS 50 6.132 13.934 9.760 363 HB2 LYS 50 HB2 LYS 50 4.007 12.486 10.909 364 HB3 LYS 50 HB3 LYS 50 3.798 12.317 9.178 365 HG2 LYS 50 HG2 LYS 50 6.197 11.622 8.960 366 HG3 LYS 50 HG3 LYS 50 6.397 11.781 10.694 367 HD2 LYS 50 HD2 LYS 50 4.075 10.139 10.257 368 HD3 LYS 50 HD3 LYS 50 5.338 9.538 9.200 369 HE2 LYS 50 HE2 LYS 50 6.839 9.842 11.425 370 HE3 LYS 50 HE3 LYS 50 5.283 9.669 12.211 371 HZ1 LYS 50 HZ1 LYS 50 5.037 7.661 10.692 372 HZ2 LYS 50 HZ2 LYS 50 6.654 7.757 10.487 373 HZ3 LYS 50 HZ3 LYS 50 6.033 7.528 11.980 374 H ARG 51 H ARG 51 5.862 13.397 7.363 375 HA ARG 51 HA ARG 51 4.493 15.651 6.201 376 HB2 ARG 51 HB2 ARG 51 6.871 14.038 5.560 377 HB3 ARG 51 HB3 ARG 51 5.839 14.221 4.156 378 HG2 ARG 51 HG2 ARG 51 6.086 16.756 5.618 379 HG3 ARG 51 HG3 ARG 51 7.662 16.128 5.179 380 HD2 ARG 51 HD2 ARG 51 6.021 15.729 2.881 381 HD3 ARG 51 HD3 ARG 51 5.626 17.334 3.464 382 HE ARG 51 HE ARG 51 8.424 17.208 3.561 383 HH11 ARG 51 HH22 ARG 51 5.962 16.846 1.073 384 HH12 ARG 51 HH21 ARG 51 6.988 17.409 -0.204 385 HH21 ARG 51 HH12 ARG 51 9.778 17.951 1.877 386 HH22 ARG 51 HH11 ARG 51 9.173 18.042 0.257 387 H ASP 52 H ASP 52 3.840 14.895 3.656 388 HA ASP 52 HA ASP 52 2.184 12.526 4.027 389 HB2 ASP 52 HB2 ASP 52 1.151 15.039 3.949 390 HB3 ASP 52 HB3 ASP 52 1.246 14.743 2.224 391 H VAL 53 H VAL 53 4.665 12.217 2.892 392 HA VAL 53 HA VAL 53 4.016 11.650 0.145 393 HB VAL 53 HB VAL 53 6.229 13.569 0.892 394 HG11 VAL 53 HG11 VAL 53 7.284 13.160 -1.046 395 HG12 VAL 53 HG12 VAL 53 6.345 11.648 -1.094 396 HG13 VAL 53 HG13 VAL 53 5.760 13.087 -1.963 397 HG21 VAL 53 HG21 VAL 53 3.669 13.877 -0.699 398 HG22 VAL 53 HG22 VAL 53 4.172 14.759 0.763 399 HG23 VAL 53 HG23 VAL 53 5.012 15.042 -0.780 400 H LYS 54 H LYS 54 6.980 12.035 2.219 401 HA LYS 54 HA LYS 54 8.140 9.669 1.301 402 HB2 LYS 54 HB2 LYS 54 8.606 11.499 3.643 403 HB3 LYS 54 HB3 LYS 54 9.480 9.985 3.529 404 HG2 LYS 54 HG2 LYS 54 10.849 10.800 1.908 405 HG3 LYS 54 HG3 LYS 54 9.492 11.342 0.942 406 HD2 LYS 54 HD2 LYS 54 9.551 13.495 1.798 407 HD3 LYS 54 HD3 LYS 54 10.068 12.969 3.388 408 HE2 LYS 54 HE2 LYS 54 12.157 12.350 1.462 409 HE3 LYS 54 HE3 LYS 54 11.691 14.030 1.278 410 HZ1 LYS 54 HZ1 LYS 54 12.598 14.518 3.220 411 HZ2 LYS 54 HZ2 LYS 54 11.914 13.257 3.999 412 HZ3 LYS 54 HZ3 LYS 54 13.316 13.052 3.187 413 H VAL 55 H VAL 55 5.808 10.377 3.904 414 HA VAL 55 HA VAL 55 5.975 8.243 5.514 415 HB VAL 55 HB VAL 55 3.330 8.362 5.322 416 HG11 VAL 55 HG11 VAL 55 3.522 9.560 7.208 417 HG12 VAL 55 HG12 VAL 55 5.277 9.532 6.909 418 HG13 VAL 55 HG13 VAL 55 4.303 10.920 6.366 419 HG21 VAL 55 HG21 VAL 55 3.715 11.148 4.455 420 HG22 VAL 55 HG22 VAL 55 3.978 9.947 3.168 421 HG23 VAL 55 HG23 VAL 55 2.431 9.985 4.049 422 H SER 56 H SER 56 4.368 8.291 2.264 423 HA SER 56 HA SER 56 3.426 5.765 2.247 424 HB2 SER 56 HB2 SER 56 3.726 7.818 0.394 425 HB3 SER 56 HB3 SER 56 4.705 6.546 -0.308 426 HG SER 56 HG SER 56 2.829 5.808 -1.041 427 H LEU 57 H LEU 57 6.727 6.889 1.219 428 HA LEU 57 HA LEU 57 7.712 4.404 0.500 429 HB2 LEU 57 HB2 LEU 57 8.625 7.035 0.666 430 HB3 LEU 57 HB3 LEU 57 9.705 6.131 1.709 431 HG LEU 57 HG LEU 57 9.247 4.788 -0.852 432 HD11 LEU 57 HD11 LEU 57 9.144 7.407 -1.273 433 HD12 LEU 57 HD12 LEU 57 10.913 7.244 -1.159 434 HD13 LEU 57 HD13 LEU 57 10.010 6.306 -2.372 435 HD21 LEU 57 HD21 LEU 57 10.989 4.015 0.551 436 HD22 LEU 57 HD22 LEU 57 11.777 4.825 -0.824 437 HD23 LEU 57 HD23 LEU 57 11.661 5.651 0.749 438 H PHE 58 H PHE 58 7.276 5.942 3.687 439 HA PHE 58 HA PHE 58 8.898 4.080 5.073 440 HB2 PHE 58 HB2 PHE 58 7.597 6.517 5.531 441 HB3 PHE 58 HB3 PHE 58 6.559 5.413 6.411 442 HD1 PHE 58 HD1 PHE 58 9.941 6.829 6.213 443 HD2 PHE 58 HD2 PHE 58 7.313 4.344 8.433 444 HE1 PHE 58 HE1 PHE 58 11.530 6.883 8.155 445 HE2 PHE 58 HE2 PHE 58 8.902 4.399 10.375 446 HZ PHE 58 HZ PHE 58 10.992 5.667 10.213 447 H THR 59 H THR 59 5.532 4.146 3.950 448 HA THR 59 HA THR 59 4.635 2.087 5.714 449 HB THR 59 HB THR 59 3.476 4.024 4.092 450 HG1 THR 59 HG1 THR 59 2.402 1.450 5.009 451 HG21 THR 59 HG21 THR 59 2.005 2.675 2.548 452 HG22 THR 59 HG22 THR 59 3.707 2.669 2.027 453 HG23 THR 59 HG23 THR 59 3.027 1.253 2.864 454 H ALA 60 H ALA 60 5.588 2.178 2.220 455 HA ALA 60 HA ALA 60 5.203 -0.550 1.797 456 HB1 ALA 60 HB1 ALA 60 5.886 1.670 0.300 457 HB2 ALA 60 HB2 ALA 60 7.391 0.720 0.278 458 HB3 ALA 60 HB3 ALA 60 5.872 -0.007 -0.297 459 H PHE 61 H PHE 61 8.127 1.346 2.786 460 HA PHE 61 HA PHE 61 9.917 -0.748 2.796 461 HB2 PHE 61 HB2 PHE 61 10.214 1.814 3.145 462 HB3 PHE 61 HB3 PHE 61 9.674 1.577 4.796 463 HD1 PHE 61 HD2 PHE 61 11.024 -0.381 6.063 464 HD2 PHE 61 HD1 PHE 61 12.485 1.897 2.795 465 HE1 PHE 61 HE2 PHE 61 13.380 -0.891 6.761 466 HE2 PHE 61 HE1 PHE 61 14.842 1.387 3.493 467 HZ PHE 61 HZ PHE 61 15.261 -0.001 5.467 468 H PHE 62 H PHE 62 7.869 0.513 5.522 469 HA PHE 62 HA PHE 62 8.769 -1.373 7.376 470 HB2 PHE 62 HB2 PHE 62 7.412 0.879 7.584 471 HB3 PHE 62 HB3 PHE 62 5.995 -0.072 7.184 472 HD1 PHE 62 HD1 PHE 62 8.910 -0.669 9.450 473 HD2 PHE 62 HD2 PHE 62 4.695 -0.389 9.054 474 HE1 PHE 62 HE1 PHE 62 8.642 -1.285 11.869 475 HE2 PHE 62 HE2 PHE 62 4.426 -1.005 11.472 476 HZ PHE 62 HZ PHE 62 6.403 -1.446 12.851 477 H LEU 63 H LEU 63 6.281 -1.475 4.830 478 HA LEU 63 HA LEU 63 4.831 -3.650 5.829 479 HB2 LEU 63 HB2 LEU 63 4.850 -1.965 3.545 480 HB3 LEU 63 HB3 LEU 63 4.864 -3.619 2.968 481 HG LEU 63 HG LEU 63 2.592 -2.730 3.154 482 HD11 LEU 63 HD11 LEU 63 2.662 -5.062 3.315 483 HD12 LEU 63 HD12 LEU 63 3.362 -5.025 4.951 484 HD13 LEU 63 HD13 LEU 63 1.664 -4.556 4.700 485 HD21 LEU 63 HD21 LEU 63 3.396 -2.235 6.009 486 HD22 LEU 63 HD22 LEU 63 2.591 -1.149 4.851 487 HD23 LEU 63 HD23 LEU 63 1.691 -2.503 5.576 488 H ALA 64 H ALA 64 7.223 -3.647 3.088 489 HA ALA 64 HA ALA 64 7.495 -6.355 2.889 490 HB1 ALA 64 HB1 ALA 64 8.527 -5.176 1.189 491 HB2 ALA 64 HB2 ALA 64 9.224 -3.972 2.299 492 HB3 ALA 64 HB3 ALA 64 9.950 -5.592 2.174 493 H THR 65 H THR 65 9.374 -4.072 4.991 494 HA THR 65 HA THR 65 11.083 -5.934 6.109 495 HB THR 65 HB THR 65 9.813 -3.382 7.229 496 HG1 THR 65 HG1 THR 65 12.400 -4.078 6.032 497 HG21 THR 65 HG21 THR 65 11.462 -5.284 8.589 498 HG22 THR 65 HG22 THR 65 12.540 -3.960 8.086 499 HG23 THR 65 HG23 THR 65 11.114 -3.612 9.093 500 H ILE 66 H ILE 66 7.669 -5.203 6.888 501 HA ILE 66 HA ILE 66 7.707 -6.811 9.240 502 HB ILE 66 HB ILE 66 5.591 -5.448 7.605 503 HG12 ILE 66 HG12 ILE 66 6.272 -5.087 10.525 504 HG13 ILE 66 HG13 ILE 66 7.160 -4.258 9.262 505 HG21 ILE 66 HG21 ILE 66 5.226 -7.742 9.369 506 HG22 ILE 66 HG22 ILE 66 4.310 -6.312 9.904 507 HG23 ILE 66 HG23 ILE 66 4.082 -6.951 8.258 508 HD11 ILE 66 HD11 ILE 66 4.796 -3.362 10.421 509 HD12 ILE 66 HD12 ILE 66 5.459 -2.793 8.871 510 HD13 ILE 66 HD13 ILE 66 4.232 -4.082 8.895 511 H MET 67 H MET 67 7.198 -7.317 5.770 512 HA MET 67 HA MET 67 5.944 -9.835 6.144 513 HB2 MET 67 HB2 MET 67 5.753 -8.217 4.121 514 HB3 MET 67 HB3 MET 67 7.354 -8.748 3.649 515 HG2 MET 67 HG2 MET 67 6.608 -11.035 3.329 516 HG3 MET 67 HG3 MET 67 5.080 -10.723 4.129 517 HE1 MET 67 HE1 MET 67 2.766 -9.729 1.568 518 HE2 MET 67 HE2 MET 67 3.173 -10.287 3.209 519 HE3 MET 67 HE3 MET 67 3.290 -8.558 2.803 520 H GLY 68 H GLY 68 9.101 -8.930 4.562 521 HA2 GLY 68 HA2 GLY 68 10.292 -11.330 5.799 522 HA3 GLY 68 HA3 GLY 68 10.442 -11.037 4.078 523 H VAL 69 H VAL 69 12.176 -9.858 3.365 524 HA VAL 69 HA VAL 69 13.376 -7.969 5.249 525 HB VAL 69 HB VAL 69 15.602 -8.788 4.659 526 HG11 VAL 69 HG11 VAL 69 13.644 -10.701 5.932 527 HG12 VAL 69 HG12 VAL 69 15.378 -11.089 5.819 528 HG13 VAL 69 HG13 VAL 69 14.846 -9.641 6.707 529 HG21 VAL 69 HG21 VAL 69 15.826 -9.968 2.770 530 HG22 VAL 69 HG22 VAL 69 15.220 -11.367 3.688 531 HG23 VAL 69 HG23 VAL 69 14.094 -10.378 2.728 532 H ARG 70 H ARG 70 15.098 -6.594 3.981 533 HA ARG 70 HA ARG 70 13.733 -5.287 2.004 534 HB2 ARG 70 HB2 ARG 70 15.565 -4.252 3.302 535 HB3 ARG 70 HB3 ARG 70 16.732 -5.357 2.605 536 HG2 ARG 70 HG2 ARG 70 17.085 -3.789 0.998 537 HG3 ARG 70 HG3 ARG 70 15.522 -4.237 0.344 538 HD2 ARG 70 HD2 ARG 70 15.230 -2.401 2.623 539 HD3 ARG 70 HD3 ARG 70 16.253 -1.709 1.380 540 HE ARG 70 HE ARG 70 13.945 -2.892 0.143 541 HH11 ARG 70 HH22 ARG 70 14.862 -0.131 2.122 542 HH12 ARG 70 HH21 ARG 70 13.572 0.872 1.547 543 HH21 ARG 70 HH12 ARG 70 12.243 -1.570 -0.616 544 HH22 ARG 70 HH11 ARG 70 12.072 0.048 -0.021 545 H PHE 71 H PHE 71 16.655 -7.448 1.706 546 HA PHE 71 HA PHE 71 17.102 -7.462 -0.906 547 HB2 PHE 71 HB2 PHE 71 17.117 -9.436 1.339 548 HB3 PHE 71 HB3 PHE 71 17.064 -10.207 -0.234 549 HD1 PHE 71 HD2 PHE 71 18.905 -7.368 1.365 550 HD2 PHE 71 HD1 PHE 71 19.099 -10.812 -1.107 551 HE1 PHE 71 HE2 PHE 71 21.385 -7.059 1.129 552 HE2 PHE 71 HE1 PHE 71 21.579 -10.503 -1.342 553 HZ PHE 71 HZ PHE 71 22.692 -8.631 -0.221 554 H LYS 72 H LYS 72 16.217 -8.206 -2.831 555 HA LYS 72 HA LYS 72 13.972 -9.996 -2.761 556 HB2 LYS 72 HB2 LYS 72 12.451 -8.439 -3.958 557 HB3 LYS 72 HB3 LYS 72 12.765 -7.977 -2.297 558 HG2 LYS 72 HG2 LYS 72 13.880 -6.057 -2.896 559 HG3 LYS 72 HG3 LYS 72 14.692 -6.824 -4.247 560 HD2 LYS 72 HD2 LYS 72 12.035 -6.820 -5.090 561 HD3 LYS 72 HD3 LYS 72 12.136 -5.319 -4.191 562 HE2 LYS 72 HE2 LYS 72 14.394 -4.977 -5.558 563 HE3 LYS 72 HE3 LYS 72 13.698 -6.161 -6.646 564 HZ1 LYS 72 HZ1 LYS 72 13.145 -3.520 -6.616 565 HZ2 LYS 72 HZ2 LYS 72 12.279 -4.664 -7.396 566 HZ3 LYS 72 HZ3 LYS 72 11.826 -4.171 -5.906 567 H ARG 73 H ARG 73 14.023 -11.281 -4.551 568 HA ARG 73 HA ARG 73 14.669 -10.423 -7.056 569 HB2 ARG 73 HB2 ARG 73 17.020 -10.658 -5.467 570 HB3 ARG 73 HB3 ARG 73 17.013 -12.090 -6.478 571 HG2 ARG 73 HG2 ARG 73 17.423 -10.897 -8.389 572 HG3 ARG 73 HG3 ARG 73 16.275 -9.642 -7.967 573 HD2 ARG 73 HD2 ARG 73 17.966 -8.717 -6.314 574 HD3 ARG 73 HD3 ARG 73 19.117 -9.914 -6.874 575 HE ARG 73 HE ARG 73 18.029 -8.438 -9.112 576 HH11 ARG 73 HH22 ARG 73 20.331 -8.179 -6.464 577 HH12 ARG 73 HH21 ARG 73 21.324 -7.012 -7.272 578 HH21 ARG 73 HH12 ARG 73 19.338 -6.898 -10.179 579 HH22 ARG 73 HH11 ARG 73 20.755 -6.279 -9.399 580 H SER 74 H SER 74 13.108 -11.871 -7.809 581 HA SER 74 HA SER 74 13.822 -14.508 -8.178 582 HB2 SER 74 HB2 SER 74 13.193 -14.425 -5.623 583 HB3 SER 74 HB3 SER 74 11.537 -14.343 -6.191 584 HG SER 74 HG SER 74 13.403 -16.483 -6.338 585 H LYS 75 H LYS 75 11.648 -15.825 -8.878 586 HA LYS 75 HA LYS 75 9.924 -13.871 -10.238 587 HB2 LYS 75 HB2 LYS 75 9.859 -15.327 -12.169 588 HB3 LYS 75 HB3 LYS 75 11.520 -14.908 -11.800 589 HG2 LYS 75 HG2 LYS 75 11.042 -17.248 -10.286 590 HG3 LYS 75 HG3 LYS 75 10.227 -17.547 -11.808 591 HD2 LYS 75 HD2 LYS 75 12.404 -18.295 -12.280 592 HD3 LYS 75 HD3 LYS 75 12.446 -16.662 -12.915 593 HE2 LYS 75 HE2 LYS 75 13.226 -17.118 -10.027 594 HE3 LYS 75 HE3 LYS 75 14.370 -17.540 -11.285 595 HZ1 LYS 75 HZ1 LYS 75 13.572 -14.976 -10.390 596 HZ2 LYS 75 HZ2 LYS 75 14.887 -15.407 -11.256 597 HZ3 LYS 75 HZ3 LYS 75 13.474 -15.102 -12.016 598 H LYS 76 H LYS 76 7.720 -14.209 -10.120 599 HA LYS 76 HA LYS 76 5.798 -15.075 -9.459 600 HB2 LYS 76 HB2 LYS 76 7.305 -17.705 -9.369 601 HB3 LYS 76 HB3 LYS 76 5.569 -17.541 -9.207 602 HG2 LYS 76 HG2 LYS 76 5.258 -17.108 -11.448 603 HG3 LYS 76 HG3 LYS 76 6.710 -16.135 -11.571 604 HD2 LYS 76 HD2 LYS 76 8.051 -18.331 -11.382 605 HD3 LYS 76 HD3 LYS 76 6.529 -19.179 -11.571 606 HE2 LYS 76 HE2 LYS 76 6.287 -18.554 -13.804 607 HE3 LYS 76 HE3 LYS 76 7.124 -17.030 -13.586 608 HZ1 LYS 76 HZ1 LYS 76 9.182 -18.175 -13.509 609 HZ2 LYS 76 HZ2 LYS 76 8.465 -19.642 -13.502 610 HZ3 LYS 76 HZ3 LYS 76 8.385 -18.700 -14.834 611 H ILE 77 H ILE 77 8.238 -16.932 -7.502 612 HA ILE 77 HA ILE 77 6.737 -16.357 -5.125 613 HB ILE 77 HB ILE 77 9.283 -17.862 -5.698 614 HG12 ILE 77 HG12 ILE 77 6.636 -18.898 -4.662 615 HG13 ILE 77 HG13 ILE 77 6.994 -18.775 -6.374 616 HG21 ILE 77 HG21 ILE 77 8.525 -16.675 -3.225 617 HG22 ILE 77 HG22 ILE 77 8.296 -18.434 -3.084 618 HG23 ILE 77 HG23 ILE 77 9.879 -17.778 -3.566 619 HD11 ILE 77 HD11 ILE 77 8.605 -20.455 -6.312 620 HD12 ILE 77 HD12 ILE 77 9.036 -20.124 -4.617 621 HD13 ILE 77 HD13 ILE 77 7.537 -21.006 -4.999 622 H MET 78 H MET 78 6.839 -13.967 -5.358 623 HA MET 78 HA MET 78 8.876 -12.974 -3.713 624 HB2 MET 78 HB2 MET 78 9.652 -13.149 -6.385 625 HB3 MET 78 HB3 MET 78 8.992 -11.526 -6.331 626 HG2 MET 78 HG2 MET 78 10.726 -12.131 -4.007 627 HG3 MET 78 HG3 MET 78 11.572 -12.266 -5.535 628 HE1 MET 78 HE1 MET 78 10.212 -9.466 -7.395 629 HE2 MET 78 HE2 MET 78 11.931 -9.153 -7.054 630 HE3 MET 78 HE3 MET 78 11.369 -10.818 -7.335 631 HA PRO 79 HA PRO 79 5.641 -10.102 -3.274 632 HB2 PRO 79 HB2 PRO 79 6.823 -8.323 -1.568 633 HB3 PRO 79 HB3 PRO 79 6.099 -9.827 -1.034 634 HG2 PRO 79 HG2 PRO 79 8.962 -9.146 -1.315 635 HG3 PRO 79 HG3 PRO 79 8.228 -10.450 -0.403 636 HD2 PRO 79 HD2 PRO 79 9.563 -10.664 -2.933 637 HD3 PRO 79 HD3 PRO 79 8.729 -11.945 -2.076 638 H ALA 80 H ALA 80 6.552 -9.877 -5.733 639 HA ALA 80 HA ALA 80 7.753 -7.350 -6.188 640 HB1 ALA 80 HB1 ALA 80 7.057 -7.890 -8.581 641 HB2 ALA 80 HB2 ALA 80 8.085 -9.104 -7.784 642 HB3 ALA 80 HB3 ALA 80 6.335 -9.385 -7.942 643 H GLY 81 H GLY 81 4.388 -8.646 -6.649 644 HA2 GLY 81 HA2 GLY 81 3.051 -6.541 -7.609 645 HA3 GLY 81 HA3 GLY 81 2.407 -7.575 -6.349 646 H LEU 82 H LEU 82 3.899 -6.973 -4.097 647 HA LEU 82 HA LEU 82 2.711 -4.767 -3.077 648 HB2 LEU 82 HB2 LEU 82 4.639 -6.650 -2.280 649 HB3 LEU 82 HB3 LEU 82 5.349 -5.081 -1.952 650 HG LEU 82 HG LEU 82 2.581 -5.195 -1.055 651 HD11 LEU 82 HD11 LEU 82 2.861 -7.530 -0.717 652 HD12 LEU 82 HD12 LEU 82 4.486 -7.307 -0.027 653 HD13 LEU 82 HD13 LEU 82 3.054 -6.749 0.871 654 HD21 LEU 82 HD21 LEU 82 5.240 -4.628 0.275 655 HD22 LEU 82 HD22 LEU 82 4.038 -3.455 -0.315 656 HD23 LEU 82 HD23 LEU 82 3.664 -4.481 1.090 657 H VAL 83 H VAL 83 6.048 -4.910 -4.505 658 HA VAL 83 HA VAL 83 6.584 -2.204 -4.231 659 HB VAL 83 HB VAL 83 7.531 -4.197 -6.300 660 HG11 VAL 83 HG11 VAL 83 9.034 -2.701 -7.080 661 HG12 VAL 83 HG12 VAL 83 7.888 -1.498 -6.442 662 HG13 VAL 83 HG13 VAL 83 9.306 -1.977 -5.477 663 HG21 VAL 83 HG21 VAL 83 7.845 -4.350 -3.583 664 HG22 VAL 83 HG22 VAL 83 8.966 -5.042 -4.781 665 HG23 VAL 83 HG23 VAL 83 9.304 -3.449 -4.062 666 H ALA 84 H ALA 84 4.825 -4.045 -6.764 667 HA ALA 84 HA ALA 84 4.649 -1.942 -8.606 668 HB1 ALA 84 HB1 ALA 84 4.190 -4.484 -8.854 669 HB2 ALA 84 HB2 ALA 84 2.566 -4.108 -8.230 670 HB3 ALA 84 HB3 ALA 84 3.136 -3.355 -9.739 671 H GLY 85 H GLY 85 2.908 -2.725 -5.613 672 HA2 GLY 85 HA2 GLY 85 0.648 -1.062 -6.110 673 HA3 GLY 85 HA3 GLY 85 1.161 -1.740 -4.577 674 H LEU 86 H LEU 86 3.563 -0.698 -3.953 675 HA LEU 86 HA LEU 86 3.031 1.831 -3.069 676 HB2 LEU 86 HB2 LEU 86 4.734 0.794 -1.969 677 HB3 LEU 86 HB3 LEU 86 5.473 0.178 -3.434 678 HG LEU 86 HG LEU 86 6.082 2.662 -3.912 679 HD11 LEU 86 HD11 LEU 86 4.856 2.862 -1.278 680 HD12 LEU 86 HD12 LEU 86 6.518 3.501 -1.301 681 HD13 LEU 86 HD13 LEU 86 5.304 4.136 -2.437 682 HD21 LEU 86 HD21 LEU 86 8.196 2.363 -2.924 683 HD22 LEU 86 HD22 LEU 86 7.537 1.362 -1.608 684 HD23 LEU 86 HD23 LEU 86 7.601 0.720 -3.267 685 H SER 87 H SER 87 4.732 0.812 -6.091 686 HA SER 87 HA SER 87 5.426 3.347 -6.900 687 HB2 SER 87 HB2 SER 87 5.857 0.842 -7.854 688 HB3 SER 87 HB3 SER 87 4.623 1.350 -8.990 689 HG SER 87 HG SER 87 6.229 2.316 -10.021 690 H LEU 88 H LEU 88 2.609 1.310 -8.004 691 HA LEU 88 HA LEU 88 1.358 3.095 -9.594 692 HB2 LEU 88 HB2 LEU 88 0.793 0.643 -8.509 693 HB3 LEU 88 HB3 LEU 88 -0.462 1.644 -7.806 694 HG LEU 88 HG LEU 88 -1.269 0.604 -9.829 695 HD11 LEU 88 HD11 LEU 88 -1.061 3.512 -9.543 696 HD12 LEU 88 HD12 LEU 88 -1.399 2.983 -11.208 697 HD13 LEU 88 HD13 LEU 88 -2.474 2.484 -9.881 698 HD21 LEU 88 HD21 LEU 88 0.150 0.129 -11.469 699 HD22 LEU 88 HD22 LEU 88 0.090 1.844 -11.940 700 HD23 LEU 88 HD23 LEU 88 1.362 1.268 -10.835 701 H MET 89 H MET 89 1.396 3.019 -6.005 702 HA MET 89 HA MET 89 -0.565 4.946 -5.657 703 HB2 MET 89 HB2 MET 89 0.885 3.307 -4.022 704 HB3 MET 89 HB3 MET 89 1.787 4.787 -3.763 705 HG2 MET 89 HG2 MET 89 0.097 4.810 -2.072 706 HG3 MET 89 HG3 MET 89 -0.483 5.933 -3.285 707 HE1 MET 89 HE1 MET 89 -3.618 4.707 -4.527 708 HE2 MET 89 HE2 MET 89 -3.362 5.635 -3.030 709 HE3 MET 89 HE3 MET 89 -2.313 5.914 -4.441 710 H MET 90 H MET 90 3.056 5.229 -5.754 711 HA MET 90 HA MET 90 3.209 7.908 -5.284 712 HB2 MET 90 HB2 MET 90 4.894 5.758 -6.264 713 HB3 MET 90 HB3 MET 90 5.169 7.151 -7.292 714 HG2 MET 90 HG2 MET 90 5.159 8.320 -4.771 715 HG3 MET 90 HG3 MET 90 5.863 6.753 -4.426 716 HE1 MET 90 HE1 MET 90 8.786 6.245 -5.591 717 HE2 MET 90 HE2 MET 90 9.169 7.661 -4.583 718 HE3 MET 90 HE3 MET 90 7.835 6.576 -4.124 719 H ILE 91 H ILE 91 3.053 6.227 -8.507 720 HA ILE 91 HA ILE 91 3.127 8.452 -10.098 721 HB ILE 91 HB ILE 91 1.689 5.824 -10.443 722 HG12 ILE 91 HG12 ILE 91 4.106 5.635 -10.160 723 HG13 ILE 91 HG13 ILE 91 3.625 5.215 -11.792 724 HG21 ILE 91 HG21 ILE 91 1.863 6.438 -12.926 725 HG22 ILE 91 HG22 ILE 91 0.578 7.211 -11.966 726 HG23 ILE 91 HG23 ILE 91 2.057 8.117 -12.366 727 HD11 ILE 91 HD11 ILE 91 4.086 8.000 -11.900 728 HD12 ILE 91 HD12 ILE 91 5.398 7.355 -10.885 729 HD13 ILE 91 HD13 ILE 91 5.150 6.720 -12.530 730 H LEU 92 H LEU 92 0.171 6.798 -8.778 731 HA LEU 92 HA LEU 92 -1.656 8.604 -9.777 732 HB2 LEU 92 HB2 LEU 92 -1.794 6.300 -8.430 733 HB3 LEU 92 HB3 LEU 92 -2.130 7.394 -7.103 734 HG LEU 92 HG LEU 92 -4.238 6.810 -7.898 735 HD11 LEU 92 HD11 LEU 92 -3.504 9.423 -9.244 736 HD12 LEU 92 HD12 LEU 92 -5.166 8.842 -8.983 737 HD13 LEU 92 HD13 LEU 92 -4.117 9.195 -7.588 738 HD21 LEU 92 HD21 LEU 92 -3.523 5.659 -9.930 739 HD22 LEU 92 HD22 LEU 92 -4.898 6.742 -10.254 740 HD23 LEU 92 HD23 LEU 92 -3.253 7.224 -10.735 741 H ARG 93 H ARG 93 0.597 8.855 -7.055 742 HA ARG 93 HA ARG 93 -0.745 10.975 -5.815 743 HB2 ARG 93 HB2 ARG 93 1.333 9.331 -5.113 744 HB3 ARG 93 HB3 ARG 93 2.239 10.767 -5.547 745 HG2 ARG 93 HG2 ARG 93 1.797 11.129 -3.261 746 HG3 ARG 93 HG3 ARG 93 0.528 12.057 -4.036 747 HD2 ARG 93 HD2 ARG 93 -1.034 10.826 -2.944 748 HD3 ARG 93 HD3 ARG 93 -0.478 9.386 -3.775 749 HE ARG 93 HE ARG 93 1.290 10.045 -1.576 750 HH11 ARG 93 HH22 ARG 93 -1.834 8.604 -2.311 751 HH12 ARG 93 HH21 ARG 93 -1.859 7.619 -0.887 752 HH21 ARG 93 HH12 ARG 93 1.258 8.746 0.304 753 HH22 ARG 93 HH11 ARG 93 -0.088 7.701 0.611 754 H LEU 94 H LEU 94 1.733 10.680 -8.383 755 HA LEU 94 HA LEU 94 2.694 13.256 -8.431 756 HB2 LEU 94 HB2 LEU 94 3.442 11.200 -9.714 757 HB3 LEU 94 HB3 LEU 94 2.163 11.550 -10.860 758 HG LEU 94 HG LEU 94 3.703 13.940 -10.458 759 HD11 LEU 94 HD11 LEU 94 5.347 11.893 -9.860 760 HD12 LEU 94 HD12 LEU 94 5.533 11.923 -11.630 761 HD13 LEU 94 HD13 LEU 94 5.881 13.384 -10.674 762 HD21 LEU 94 HD21 LEU 94 2.400 13.575 -12.429 763 HD22 LEU 94 HD22 LEU 94 4.112 13.653 -12.910 764 HD23 LEU 94 HD23 LEU 94 3.288 12.079 -12.809 765 H VAL 95 H VAL 95 0.153 11.999 -10.705 766 HA VAL 95 HA VAL 95 -0.672 14.471 -11.574 767 HB VAL 95 HB VAL 95 -2.111 11.833 -11.296 768 HG11 VAL 95 HG11 VAL 95 -3.124 14.471 -12.189 769 HG12 VAL 95 HG12 VAL 95 -3.467 13.105 -13.278 770 HG13 VAL 95 HG13 VAL 95 -4.001 13.046 -11.581 771 HG21 VAL 95 HG21 VAL 95 -1.519 11.434 -13.535 772 HG22 VAL 95 HG22 VAL 95 -1.111 13.142 -13.829 773 HG23 VAL 95 HG23 VAL 95 -0.051 12.135 -12.813 774 H LEU 96 H LEU 96 -1.890 12.493 -8.796 775 HA LEU 96 HA LEU 96 -4.006 13.929 -7.996 776 HB2 LEU 96 HB2 LEU 96 -1.993 12.247 -6.720 777 HB3 LEU 96 HB3 LEU 96 -2.684 13.421 -5.617 778 HG LEU 96 HG LEU 96 -4.300 11.481 -7.293 779 HD11 LEU 96 HD11 LEU 96 -2.718 10.845 -5.119 780 HD12 LEU 96 HD12 LEU 96 -4.327 11.086 -4.398 781 HD13 LEU 96 HD13 LEU 96 -4.111 9.913 -5.719 782 HD21 LEU 96 HD21 LEU 96 -5.348 12.929 -4.887 783 HD22 LEU 96 HD22 LEU 96 -5.270 13.767 -6.455 784 HD23 LEU 96 HD23 LEU 96 -6.216 12.268 -6.293 785 H LEU 97 H LEU 97 -0.572 14.889 -7.803 786 HA LEU 97 HA LEU 97 -0.722 16.963 -6.036 787 HB2 LEU 97 HB2 LEU 97 1.238 15.931 -7.389 788 HB3 LEU 97 HB3 LEU 97 0.862 17.163 -8.578 789 HG LEU 97 HG LEU 97 1.059 18.332 -5.929 790 HD11 LEU 97 HD11 LEU 97 2.673 16.178 -6.001 791 HD12 LEU 97 HD12 LEU 97 3.743 17.382 -6.758 792 HD13 LEU 97 HD13 LEU 97 3.072 17.682 -5.137 793 HD21 LEU 97 HD21 LEU 97 1.449 19.102 -8.538 794 HD22 LEU 97 HD22 LEU 97 1.908 20.038 -7.095 795 HD23 LEU 97 HD23 LEU 97 3.112 19.010 -7.909 796 H LEU 98 H LEU 98 -1.493 16.990 -9.575 797 HA LEU 98 HA LEU 98 -2.095 19.692 -9.732 798 HB2 LEU 98 HB2 LEU 98 -1.934 17.606 -11.459 799 HB3 LEU 98 HB3 LEU 98 -3.671 17.833 -11.399 800 HG LEU 98 HG LEU 98 -1.909 20.218 -11.860 801 HD11 LEU 98 HD11 LEU 98 -2.375 17.967 -13.779 802 HD12 LEU 98 HD12 LEU 98 -2.331 19.639 -14.389 803 HD13 LEU 98 HD13 LEU 98 -0.929 18.972 -13.519 804 HD21 LEU 98 HD21 LEU 98 -4.738 19.426 -12.523 805 HD22 LEU 98 HD22 LEU 98 -4.145 20.830 -11.605 806 HD23 LEU 98 HD23 LEU 98 -3.924 20.763 -13.370 807 H LEU 99 H LEU 99 -4.209 16.846 -8.994 808 HA LEU 99 HA LEU 99 -6.617 18.072 -8.863 809 HB2 LEU 99 HB2 LEU 99 -5.409 15.669 -7.902 810 HB3 LEU 99 HB3 LEU 99 -6.428 16.320 -6.633 811 HG LEU 99 HG LEU 99 -8.163 16.545 -8.660 812 HD11 LEU 99 HD11 LEU 99 -7.999 14.584 -10.146 813 HD12 LEU 99 HD12 LEU 99 -6.661 15.734 -10.381 814 HD13 LEU 99 HD13 LEU 99 -6.390 14.226 -9.474 815 HD21 LEU 99 HD21 LEU 99 -9.072 14.324 -7.978 816 HD22 LEU 99 HD22 LEU 99 -7.580 14.050 -7.046 817 HD23 LEU 99 HD23 LEU 99 -8.663 15.396 -6.616 Start of MODEL 18 1 H MET 1 H1 MET 1 -15.944 -26.670 -19.704 2 HA MET 1 HA MET 1 -15.888 -24.895 -17.878 3 HB2 MET 1 HB2 MET 1 -13.811 -24.032 -19.945 4 HB3 MET 1 HB3 MET 1 -14.629 -22.835 -18.961 5 HG2 MET 1 HG2 MET 1 -13.867 -24.086 -16.888 6 HG3 MET 1 HG3 MET 1 -12.963 -25.177 -17.919 7 HE1 MET 1 HE1 MET 1 -10.780 -24.957 -17.295 8 HE2 MET 1 HE2 MET 1 -9.777 -23.492 -17.172 9 HE3 MET 1 HE3 MET 1 -10.980 -23.855 -15.912 10 H ASP 2 H ASP 2 -16.842 -22.575 -18.537 11 HA ASP 2 HA ASP 2 -18.365 -22.978 -20.989 12 HB2 ASP 2 HB2 ASP 2 -19.359 -21.747 -18.375 13 HB3 ASP 2 HB3 ASP 2 -20.301 -21.888 -19.846 14 H LEU 3 H LEU 3 -18.782 -20.994 -22.190 15 HA LEU 3 HA LEU 3 -17.669 -18.552 -21.038 16 HB2 LEU 3 HB2 LEU 3 -16.682 -20.026 -23.414 17 HB3 LEU 3 HB3 LEU 3 -16.833 -18.289 -23.581 18 HG LEU 3 HG LEU 3 -15.527 -18.825 -21.090 19 HD11 LEU 3 HD11 LEU 3 -14.968 -21.023 -22.040 20 HD12 LEU 3 HD12 LEU 3 -14.227 -20.220 -23.445 21 HD13 LEU 3 HD13 LEU 3 -13.528 -19.999 -21.823 22 HD21 LEU 3 HD21 LEU 3 -14.872 -16.827 -21.877 23 HD22 LEU 3 HD22 LEU 3 -13.606 -17.768 -22.701 24 HD23 LEU 3 HD23 LEU 3 -15.084 -17.306 -23.579 25 H ILE 4 H ILE 4 -19.060 -16.877 -21.262 26 HA ILE 4 HA ILE 4 -20.979 -17.036 -23.469 27 HB ILE 4 HB ILE 4 -22.761 -16.300 -22.003 28 HG12 ILE 4 HG12 ILE 4 -21.258 -15.122 -20.361 29 HG13 ILE 4 HG13 ILE 4 -22.567 -16.051 -19.657 30 HG21 ILE 4 HG21 ILE 4 -23.070 -18.521 -22.090 31 HG22 ILE 4 HG22 ILE 4 -21.374 -18.882 -21.689 32 HG23 ILE 4 HG23 ILE 4 -22.529 -18.486 -20.394 33 HD11 ILE 4 HD11 ILE 4 -21.031 -17.147 -18.406 34 HD12 ILE 4 HD12 ILE 4 -20.411 -17.883 -19.903 35 HD13 ILE 4 HD13 ILE 4 -19.697 -16.371 -19.293 36 H GLY 5 H GLY 5 -18.502 -15.666 -23.506 37 HA2 GLY 5 HA2 GLY 5 -17.973 -13.606 -24.386 38 HA3 GLY 5 HA3 GLY 5 -19.487 -12.943 -23.802 39 H PHE 6 H PHE 6 -16.576 -12.035 -23.519 40 HA PHE 6 HA PHE 6 -16.162 -12.284 -20.665 41 HB2 PHE 6 HB2 PHE 6 -14.247 -12.437 -22.233 42 HB3 PHE 6 HB3 PHE 6 -14.729 -10.956 -23.036 43 HD1 PHE 6 HD1 PHE 6 -14.086 -11.940 -19.483 44 HD2 PHE 6 HD2 PHE 6 -13.282 -9.220 -22.639 45 HE1 PHE 6 HE1 PHE 6 -12.578 -10.626 -17.966 46 HE2 PHE 6 HE2 PHE 6 -11.774 -7.906 -21.123 47 HZ PHE 6 HZ PHE 6 -11.440 -8.624 -18.805 48 H GLY 7 H GLY 7 -16.564 -9.631 -23.122 49 HA2 GLY 7 HA2 GLY 7 -16.523 -7.404 -21.664 50 HA3 GLY 7 HA3 GLY 7 -17.720 -7.682 -22.913 51 H TYR 8 H TYR 8 -19.535 -9.429 -21.997 52 HA TYR 8 HA TYR 8 -21.164 -8.040 -20.337 53 HB2 TYR 8 HB2 TYR 8 -20.727 -10.819 -21.323 54 HB3 TYR 8 HB3 TYR 8 -21.563 -10.810 -19.783 55 HD1 TYR 8 HD2 TYR 8 -23.393 -8.612 -19.852 56 HD2 TYR 8 HD1 TYR 8 -22.210 -11.179 -23.064 57 HE1 TYR 8 HE2 TYR 8 -25.583 -8.134 -21.050 58 HE2 TYR 8 HE1 TYR 8 -24.405 -10.692 -24.251 59 HH TYR 8 HH TYR 8 -26.412 -8.151 -23.357 60 H ALA 9 H ALA 9 -18.839 -10.655 -19.367 61 HA ALA 9 HA ALA 9 -19.467 -10.660 -16.674 62 HB1 ALA 9 HB1 ALA 9 -18.018 -12.362 -16.903 63 HB2 ALA 9 HB2 ALA 9 -17.440 -11.716 -18.458 64 HB3 ALA 9 HB3 ALA 9 -16.695 -11.172 -16.936 65 H ALA 10 H ALA 10 -17.288 -8.547 -18.599 66 HA ALA 10 HA ALA 10 -16.117 -7.273 -16.380 67 HB1 ALA 10 HB1 ALA 10 -16.163 -7.056 -19.306 68 HB2 ALA 10 HB2 ALA 10 -16.058 -5.471 -18.505 69 HB3 ALA 10 HB3 ALA 10 -14.842 -6.724 -18.160 70 H LEU 11 H LEU 11 -19.185 -6.900 -18.131 71 HA LEU 11 HA LEU 11 -19.733 -4.303 -17.121 72 HB2 LEU 11 HB2 LEU 11 -20.655 -5.616 -19.191 73 HB3 LEU 11 HB3 LEU 11 -21.835 -6.223 -18.046 74 HG LEU 11 HG LEU 11 -22.151 -3.654 -17.488 75 HD11 LEU 11 HD11 LEU 11 -21.325 -3.463 -20.388 76 HD12 LEU 11 HD12 LEU 11 -21.770 -2.150 -19.272 77 HD13 LEU 11 HD13 LEU 11 -20.245 -3.038 -19.038 78 HD21 LEU 11 HD21 LEU 11 -23.744 -5.405 -18.531 79 HD22 LEU 11 HD22 LEU 11 -24.092 -3.675 -18.765 80 HD23 LEU 11 HD23 LEU 11 -23.344 -4.617 -20.077 81 H VAL 12 H VAL 12 -20.960 -7.623 -16.298 82 HA VAL 12 HA VAL 12 -22.564 -6.937 -14.206 83 HB VAL 12 HB VAL 12 -20.789 -9.344 -14.629 84 HG11 VAL 12 HG11 VAL 12 -22.042 -8.638 -12.233 85 HG12 VAL 12 HG12 VAL 12 -23.147 -9.811 -12.987 86 HG13 VAL 12 HG13 VAL 12 -21.448 -10.251 -12.694 87 HG21 VAL 12 HG21 VAL 12 -23.331 -8.446 -15.735 88 HG22 VAL 12 HG22 VAL 12 -22.270 -9.780 -16.248 89 HG23 VAL 12 HG23 VAL 12 -23.471 -10.042 -14.961 90 H THR 13 H THR 13 -19.028 -7.765 -14.056 91 HA THR 13 HA THR 13 -18.708 -7.328 -11.342 92 HB THR 13 HB THR 13 -16.879 -7.105 -13.775 93 HG1 THR 13 HG1 THR 13 -17.648 -9.214 -13.132 94 HG21 THR 13 HG21 THR 13 -16.342 -6.141 -11.091 95 HG22 THR 13 HG22 THR 13 -15.431 -7.648 -11.349 96 HG23 THR 13 HG23 THR 13 -15.210 -6.273 -12.458 97 H PHE 14 H PHE 14 -18.012 -4.969 -14.015 98 HA PHE 14 HA PHE 14 -17.282 -2.831 -12.634 99 HB2 PHE 14 HB2 PHE 14 -18.647 -3.475 -15.120 100 HB3 PHE 14 HB3 PHE 14 -19.433 -2.056 -14.456 101 HD1 PHE 14 HD1 PHE 14 -18.156 0.030 -14.126 102 HD2 PHE 14 HD2 PHE 14 -16.410 -3.362 -15.985 103 HE1 PHE 14 HE1 PHE 14 -16.316 1.475 -15.035 104 HE2 PHE 14 HE2 PHE 14 -14.570 -1.916 -16.894 105 HZ PHE 14 HZ PHE 14 -14.545 0.485 -16.408 106 H GLY 15 H GLY 15 -20.763 -3.740 -13.164 107 HA2 GLY 15 HA2 GLY 15 -21.822 -1.652 -11.600 108 HA3 GLY 15 HA3 GLY 15 -22.634 -3.130 -12.077 109 H SER 16 H SER 16 -21.519 -5.207 -10.857 110 HA SER 16 HA SER 16 -22.412 -5.246 -8.375 111 HB2 SER 16 HB2 SER 16 -20.031 -6.661 -9.610 112 HB3 SER 16 HB3 SER 16 -20.486 -6.987 -7.949 113 HG SER 16 HG SER 16 -22.384 -7.144 -10.123 114 H ILE 17 H ILE 17 -18.896 -4.666 -9.154 115 HA ILE 17 HA ILE 17 -18.110 -4.027 -6.593 116 HB ILE 17 HB ILE 17 -16.679 -4.527 -8.571 117 HG12 ILE 17 HG12 ILE 17 -15.348 -2.127 -7.698 118 HG13 ILE 17 HG13 ILE 17 -16.195 -2.842 -6.340 119 HG21 ILE 17 HG21 ILE 17 -17.390 -1.679 -9.299 120 HG22 ILE 17 HG22 ILE 17 -15.964 -2.531 -9.939 121 HG23 ILE 17 HG23 ILE 17 -17.598 -3.153 -10.275 122 HD11 ILE 17 HD11 ILE 17 -14.896 -4.753 -6.344 123 HD12 ILE 17 HD12 ILE 17 -14.704 -4.744 -8.114 124 HD13 ILE 17 HD13 ILE 17 -13.726 -3.649 -7.107 125 H PHE 18 H PHE 18 -19.536 -1.958 -9.174 126 HA PHE 18 HA PHE 18 -19.167 0.494 -8.033 127 HB2 PHE 18 HB2 PHE 18 -20.633 -0.749 -10.124 128 HB3 PHE 18 HB3 PHE 18 -21.885 -0.009 -9.147 129 HD1 PHE 18 HD1 PHE 18 -20.602 2.468 -8.239 130 HD2 PHE 18 HD2 PHE 18 -20.454 0.561 -12.027 131 HE1 PHE 18 HE1 PHE 18 -20.150 4.680 -9.335 132 HE2 PHE 18 HE2 PHE 18 -20.002 2.773 -13.123 133 HZ PHE 18 HZ PHE 18 -19.856 4.807 -11.764 134 H GLY 19 H GLY 19 -21.574 -2.041 -7.222 135 HA2 GLY 19 HA2 GLY 19 -22.931 -0.276 -5.342 136 HA3 GLY 19 HA3 GLY 19 -23.364 -1.918 -5.774 137 H TYR 20 H TYR 20 -20.307 -2.608 -5.431 138 HA TYR 20 HA TYR 20 -19.161 -3.676 -3.849 139 HB2 TYR 20 HB2 TYR 20 -18.475 -1.389 -3.314 140 HB3 TYR 20 HB3 TYR 20 -20.037 -1.010 -2.615 141 HD1 TYR 20 HD1 TYR 20 -16.856 -2.827 -2.053 142 HD2 TYR 20 HD2 TYR 20 -20.516 -1.465 -0.304 143 HE1 TYR 20 HE1 TYR 20 -15.956 -3.361 0.264 144 HE2 TYR 20 HE2 TYR 20 -19.604 -2.004 2.007 145 HH TYR 20 HH TYR 20 -17.978 -3.408 3.015 146 H LYS 21 H LYS 21 -20.258 -5.557 -3.305 147 HA LYS 21 HA LYS 21 -22.241 -5.291 -1.159 148 HB2 LYS 21 HB2 LYS 21 -22.118 -6.879 -3.610 149 HB3 LYS 21 HB3 LYS 21 -22.425 -7.870 -2.198 150 HG2 LYS 21 HG2 LYS 21 -24.311 -6.394 -1.537 151 HG3 LYS 21 HG3 LYS 21 -23.980 -5.332 -2.891 152 HD2 LYS 21 HD2 LYS 21 -24.560 -7.062 -4.502 153 HD3 LYS 21 HD3 LYS 21 -24.616 -8.292 -3.256 154 HE2 LYS 21 HE2 LYS 21 -26.425 -6.422 -2.277 155 HE3 LYS 21 HE3 LYS 21 -26.663 -6.272 -4.006 156 HZ1 LYS 21 HZ1 LYS 21 -27.399 -8.388 -4.155 157 HZ2 LYS 21 HZ2 LYS 21 -26.511 -8.946 -2.903 158 HZ3 LYS 21 HZ3 LYS 21 -27.873 -8.090 -2.621 159 H ARG 22 H ARG 22 -19.607 -7.494 -2.359 160 HA ARG 22 HA ARG 22 -18.479 -7.522 0.228 161 HB2 ARG 22 HB2 ARG 22 -20.512 -9.377 -0.099 162 HB3 ARG 22 HB3 ARG 22 -19.121 -10.319 -0.596 163 HG2 ARG 22 HG2 ARG 22 -18.042 -9.262 1.630 164 HG3 ARG 22 HG3 ARG 22 -19.723 -9.093 2.095 165 HD2 ARG 22 HD2 ARG 22 -18.589 -11.732 1.066 166 HD3 ARG 22 HD3 ARG 22 -18.545 -11.301 2.764 167 HE ARG 22 HE ARG 22 -21.215 -10.944 1.715 168 HH11 ARG 22 HH22 ARG 22 -18.950 -13.432 2.746 169 HH12 ARG 22 HH21 ARG 22 -20.190 -14.564 3.172 170 HH21 ARG 22 HH12 ARG 22 -22.851 -12.436 2.277 171 HH22 ARG 22 HH11 ARG 22 -22.424 -13.994 2.903 172 H ARG 23 H ARG 23 -16.274 -7.719 -0.096 173 HA ARG 23 HA ARG 23 -15.224 -9.599 -1.867 174 HB2 ARG 23 HB2 ARG 23 -14.166 -8.032 -3.507 175 HB3 ARG 23 HB3 ARG 23 -15.915 -7.990 -3.611 176 HG2 ARG 23 HG2 ARG 23 -15.782 -5.740 -3.338 177 HG3 ARG 23 HG3 ARG 23 -15.339 -6.042 -1.670 178 HD2 ARG 23 HD2 ARG 23 -12.990 -5.897 -2.142 179 HD3 ARG 23 HD3 ARG 23 -13.234 -6.096 -3.866 180 HE ARG 23 HE ARG 23 -14.645 -3.787 -3.330 181 HH11 ARG 23 HH22 ARG 23 -11.359 -4.818 -2.609 182 HH12 ARG 23 HH21 ARG 23 -10.712 -3.211 -2.640 183 HH21 ARG 23 HH12 ARG 23 -13.793 -1.668 -3.370 184 HH22 ARG 23 HH11 ARG 23 -12.106 -1.407 -3.075 185 H GLY 24 H GLY 24 -12.874 -9.741 -1.631 186 HA2 GLY 24 HA2 GLY 24 -11.843 -8.045 0.561 187 HA3 GLY 24 HA3 GLY 24 -11.409 -9.721 0.291 188 H GLY 25 H GLY 25 -9.300 -9.811 -0.358 189 HA2 GLY 25 HA2 GLY 25 -8.377 -9.114 -2.808 190 HA3 GLY 25 HA3 GLY 25 -8.121 -7.657 -1.869 191 H VAL 26 H VAL 26 -7.763 -11.248 -1.362 192 HA VAL 26 HA VAL 26 -6.105 -12.456 -0.543 193 HB VAL 26 HB VAL 26 -4.467 -10.084 -1.449 194 HG11 VAL 26 HG11 VAL 26 -2.487 -11.259 -1.075 195 HG12 VAL 26 HG12 VAL 26 -3.445 -11.623 0.380 196 HG13 VAL 26 HG13 VAL 26 -3.323 -12.823 -0.928 197 HG21 VAL 26 HG21 VAL 26 -4.494 -12.763 -2.799 198 HG22 VAL 26 HG22 VAL 26 -5.861 -11.652 -3.055 199 HG23 VAL 26 HG23 VAL 26 -4.208 -11.143 -3.479 200 HA PRO 27 HA PRO 27 -5.796 -11.125 3.563 201 HB2 PRO 27 HB2 PRO 27 -4.337 -13.179 4.622 202 HB3 PRO 27 HB3 PRO 27 -6.065 -13.274 4.346 203 HG2 PRO 27 HG2 PRO 27 -3.872 -14.516 2.802 204 HG3 PRO 27 HG3 PRO 27 -5.576 -14.926 2.814 205 HD2 PRO 27 HD2 PRO 27 -4.178 -13.462 0.782 206 HD3 PRO 27 HD3 PRO 27 -5.901 -13.773 0.852 207 H SER 28 H SER 28 -4.459 -9.336 2.406 208 HA SER 28 HA SER 28 -2.373 -8.823 4.127 209 HB2 SER 28 HB2 SER 28 -1.283 -10.677 2.753 210 HB3 SER 28 HB3 SER 28 -1.376 -9.619 1.359 211 HG SER 28 HG SER 28 -0.224 -8.025 2.969 212 H LEU 29 H LEU 29 -2.906 -8.457 0.537 213 HA LEU 29 HA LEU 29 -2.179 -5.887 0.231 214 HB2 LEU 29 HB2 LEU 29 -3.193 -7.704 -1.378 215 HB3 LEU 29 HB3 LEU 29 -4.686 -6.831 -1.096 216 HG LEU 29 HG LEU 29 -2.823 -4.831 -1.701 217 HD11 LEU 29 HD11 LEU 29 -2.258 -5.936 -4.105 218 HD12 LEU 29 HD12 LEU 29 -1.138 -5.921 -2.721 219 HD13 LEU 29 HD13 LEU 29 -2.124 -7.366 -3.053 220 HD21 LEU 29 HD21 LEU 29 -5.225 -6.045 -2.895 221 HD22 LEU 29 HD22 LEU 29 -4.805 -4.337 -2.625 222 HD23 LEU 29 HD23 LEU 29 -4.167 -5.195 -4.047 223 H ILE 30 H ILE 30 -5.452 -7.035 1.295 224 HA ILE 30 HA ILE 30 -6.657 -4.593 1.533 225 HB ILE 30 HB ILE 30 -7.796 -6.721 1.731 226 HG12 ILE 30 HG12 ILE 30 -9.008 -6.100 4.036 227 HG13 ILE 30 HG13 ILE 30 -8.095 -4.619 3.829 228 HG21 ILE 30 HG21 ILE 30 -5.987 -7.846 3.066 229 HG22 ILE 30 HG22 ILE 30 -6.612 -7.000 4.501 230 HG23 ILE 30 HG23 ILE 30 -7.648 -8.153 3.628 231 HD11 ILE 30 HD11 ILE 30 -9.942 -4.034 2.577 232 HD12 ILE 30 HD12 ILE 30 -9.035 -4.872 1.295 233 HD13 ILE 30 HD13 ILE 30 -10.330 -5.723 2.171 234 H ALA 31 H ALA 31 -4.625 -6.334 3.977 235 HA ALA 31 HA ALA 31 -4.852 -4.468 5.999 236 HB1 ALA 31 HB1 ALA 31 -3.416 -5.882 7.021 237 HB2 ALA 31 HB2 ALA 31 -3.513 -6.860 5.536 238 HB3 ALA 31 HB3 ALA 31 -2.189 -5.689 5.745 239 H GLY 32 H GLY 32 -2.814 -4.516 3.053 240 HA2 GLY 32 HA2 GLY 32 -1.148 -2.340 3.816 241 HA3 GLY 32 HA3 GLY 32 -1.361 -3.010 2.211 242 H LEU 33 H LEU 33 -4.371 -2.664 2.311 243 HA LEU 33 HA LEU 33 -4.394 -0.005 1.288 244 HB2 LEU 33 HB2 LEU 33 -6.448 -2.172 1.643 245 HB3 LEU 33 HB3 LEU 33 -6.902 -0.562 1.118 246 HG LEU 33 HG LEU 33 -4.838 -2.244 -0.320 247 HD11 LEU 33 HD11 LEU 33 -6.610 -2.785 -1.948 248 HD12 LEU 33 HD12 LEU 33 -6.927 -3.472 -0.336 249 HD13 LEU 33 HD13 LEU 33 -7.809 -2.023 -0.875 250 HD21 LEU 33 HD21 LEU 33 -6.245 -0.368 -1.970 251 HD22 LEU 33 HD22 LEU 33 -5.592 0.474 -0.544 252 HD23 LEU 33 HD23 LEU 33 -4.507 -0.464 -1.598 253 H PHE 34 H PHE 34 -5.503 -1.666 4.274 254 HA PHE 34 HA PHE 34 -6.896 0.571 5.277 255 HB2 PHE 34 HB2 PHE 34 -6.540 -2.137 5.860 256 HB3 PHE 34 HB3 PHE 34 -5.574 -1.403 7.125 257 HD1 PHE 34 HD1 PHE 34 -8.948 -0.981 5.570 258 HD2 PHE 34 HD2 PHE 34 -6.624 -0.945 9.120 259 HE1 PHE 34 HE1 PHE 34 -11.023 -0.582 6.924 260 HE2 PHE 34 HE2 PHE 34 -8.700 -0.546 10.474 261 HZ PHE 34 HZ PHE 34 -10.874 -0.369 9.360 262 H VAL 35 H VAL 35 -3.734 -0.911 6.314 263 HA VAL 35 HA VAL 35 -3.040 1.186 8.000 264 HB VAL 35 HB VAL 35 -1.343 -0.812 6.492 265 HG11 VAL 35 HG11 VAL 35 -0.647 1.017 8.812 266 HG12 VAL 35 HG12 VAL 35 0.337 -0.378 8.306 267 HG13 VAL 35 HG13 VAL 35 0.091 0.988 7.192 268 HG21 VAL 35 HG21 VAL 35 -1.601 -2.277 8.267 269 HG22 VAL 35 HG22 VAL 35 -2.041 -0.986 9.411 270 HG23 VAL 35 HG23 VAL 35 -3.214 -1.528 8.187 271 H GLY 36 H GLY 36 -2.141 0.527 4.547 272 HA2 GLY 36 HA2 GLY 36 -0.471 2.657 4.094 273 HA3 GLY 36 HA3 GLY 36 -1.533 1.935 2.902 274 H CYS 37 H CYS 37 -4.088 2.562 3.689 275 HA CYS 37 HA CYS 37 -4.351 5.180 2.869 276 HB2 CYS 37 HB2 CYS 37 -6.107 3.384 2.763 277 HB3 CYS 37 HB3 CYS 37 -6.376 3.597 4.482 278 HG CYS 37 HG CYS 37 -7.735 5.544 4.416 279 H LEU 38 H LEU 38 -4.810 3.735 6.185 280 HA LEU 38 HA LEU 38 -5.331 5.929 7.630 281 HB2 LEU 38 HB2 LEU 38 -4.720 3.355 8.171 282 HB3 LEU 38 HB3 LEU 38 -3.279 4.139 8.789 283 HG LEU 38 HG LEU 38 -6.037 5.059 9.600 284 HD11 LEU 38 HD11 LEU 38 -4.397 2.954 11.034 285 HD12 LEU 38 HD12 LEU 38 -5.984 3.601 11.514 286 HD13 LEU 38 HD13 LEU 38 -5.833 2.622 10.036 287 HD21 LEU 38 HD21 LEU 38 -4.392 6.647 10.179 288 HD22 LEU 38 HD22 LEU 38 -4.729 5.737 11.671 289 HD23 LEU 38 HD23 LEU 38 -3.256 5.393 10.732 290 H ALA 39 H ALA 39 -2.054 4.867 6.526 291 HA ALA 39 HA ALA 39 -0.626 6.890 7.777 292 HB1 ALA 39 HB1 ALA 39 1.063 5.755 6.821 293 HB2 ALA 39 HB2 ALA 39 -0.153 4.725 6.028 294 HB3 ALA 39 HB3 ALA 39 0.479 6.162 5.189 295 H GLY 40 H GLY 40 -1.801 6.720 4.335 296 HA2 GLY 40 HA2 GLY 40 -1.071 9.294 3.599 297 HA3 GLY 40 HA3 GLY 40 -2.358 8.342 2.885 298 H TYR 41 H TYR 41 -4.527 8.328 4.053 299 HA TYR 41 HA TYR 41 -5.662 10.718 4.257 300 HB2 TYR 41 HB2 TYR 41 -6.091 7.979 5.131 301 HB3 TYR 41 HB3 TYR 41 -6.590 9.011 6.457 302 HD1 TYR 41 HD2 TYR 41 -6.932 9.169 2.713 303 HD2 TYR 41 HD1 TYR 41 -8.879 9.334 6.519 304 HE1 TYR 41 HE2 TYR 41 -9.162 9.578 1.562 305 HE2 TYR 41 HE1 TYR 41 -11.102 9.743 5.356 306 HH TYR 41 HH TYR 41 -11.597 10.875 2.766 307 H GLY 42 H GLY 42 -4.418 8.953 7.189 308 HA2 GLY 42 HA2 GLY 42 -4.856 10.877 9.075 309 HA3 GLY 42 HA3 GLY 42 -3.522 9.741 9.099 310 H ALA 43 H ALA 43 -1.763 10.425 7.202 311 HA ALA 43 HA ALA 43 -0.469 12.639 8.194 312 HB1 ALA 43 HB1 ALA 43 -0.305 11.337 5.445 313 HB2 ALA 43 HB2 ALA 43 0.908 12.447 6.127 314 HB3 ALA 43 HB3 ALA 43 0.615 10.868 6.895 315 H TYR 44 H TYR 44 -3.056 12.365 5.778 316 HA TYR 44 HA TYR 44 -2.678 14.952 4.671 317 HB2 TYR 44 HB2 TYR 44 -4.093 12.611 4.143 318 HB3 TYR 44 HB3 TYR 44 -5.375 13.595 4.821 319 HD1 TYR 44 HD1 TYR 44 -2.624 13.876 2.277 320 HD2 TYR 44 HD2 TYR 44 -6.636 14.890 3.365 321 HE1 TYR 44 HE1 TYR 44 -2.957 15.006 0.024 322 HE2 TYR 44 HE2 TYR 44 -6.955 16.017 1.108 323 HH TYR 44 HH TYR 44 -5.010 17.143 -0.632 324 H ARG 45 H ARG 45 -4.555 13.592 7.407 325 HA ARG 45 HA ARG 45 -6.360 15.488 7.850 326 HB2 ARG 45 HB2 ARG 45 -4.557 14.101 9.894 327 HB3 ARG 45 HB3 ARG 45 -5.978 15.020 10.349 328 HG2 ARG 45 HG2 ARG 45 -7.344 13.519 8.794 329 HG3 ARG 45 HG3 ARG 45 -5.910 12.537 8.574 330 HD2 ARG 45 HD2 ARG 45 -6.647 11.377 10.402 331 HD3 ARG 45 HD3 ARG 45 -6.008 12.715 11.336 332 HE ARG 45 HE ARG 45 -8.201 13.242 11.907 333 HH11 ARG 45 HH22 ARG 45 -8.232 11.646 8.771 334 HH12 ARG 45 HH21 ARG 45 -9.957 11.696 8.620 335 HH21 ARG 45 HH12 ARG 45 -10.476 13.307 11.709 336 HH22 ARG 45 HH11 ARG 45 -11.242 12.647 10.302 337 H VAL 46 H VAL 46 -3.258 15.555 9.749 338 HA VAL 46 HA VAL 46 -2.341 18.011 8.962 339 HB VAL 46 HB VAL 46 -4.241 19.158 9.629 340 HG11 VAL 46 HG11 VAL 46 -5.320 18.790 11.900 341 HG12 VAL 46 HG12 VAL 46 -5.517 17.474 10.719 342 HG13 VAL 46 HG13 VAL 46 -4.328 17.318 12.034 343 HG21 VAL 46 HG21 VAL 46 -3.152 19.614 12.287 344 HG22 VAL 46 HG22 VAL 46 -1.864 19.531 11.061 345 HG23 VAL 46 HG23 VAL 46 -3.198 20.695 10.873 346 H SER 47 H SER 47 -3.038 15.873 11.779 347 HA SER 47 HA SER 47 -0.716 16.583 13.156 348 HB2 SER 47 HB2 SER 47 -2.802 14.449 13.336 349 HB3 SER 47 HB3 SER 47 -1.268 14.071 14.093 350 HG SER 47 HG SER 47 -2.542 15.104 15.652 351 H ASN 48 H ASN 48 0.828 16.521 11.269 352 HA ASN 48 HA ASN 48 2.546 14.479 11.404 353 HB2 ASN 48 HB2 ASN 48 0.242 13.608 9.926 354 HB3 ASN 48 HB3 ASN 48 1.518 13.839 8.747 355 HD21 ASN 48 HD21 ASN 48 0.111 11.533 10.328 356 HD22 ASN 48 HD22 ASN 48 1.410 10.464 10.740 357 H ASP 49 H ASP 49 4.328 15.658 10.693 358 HA ASP 49 HA ASP 49 4.072 17.925 9.153 359 HB2 ASP 49 HB2 ASP 49 6.556 16.172 9.445 360 HB3 ASP 49 HB3 ASP 49 6.540 17.875 9.033 361 H LYS 50 H LYS 50 4.824 14.493 8.377 362 HA LYS 50 HA LYS 50 5.307 15.143 5.594 363 HB2 LYS 50 HB2 LYS 50 5.481 12.591 7.210 364 HB3 LYS 50 HB3 LYS 50 5.662 12.620 5.468 365 HG2 LYS 50 HG2 LYS 50 7.822 13.261 5.695 366 HG3 LYS 50 HG3 LYS 50 7.309 14.731 6.499 367 HD2 LYS 50 HD2 LYS 50 7.278 13.570 8.686 368 HD3 LYS 50 HD3 LYS 50 7.673 12.048 7.913 369 HE2 LYS 50 HE2 LYS 50 9.739 12.930 8.809 370 HE3 LYS 50 HE3 LYS 50 9.829 13.108 7.068 371 HZ1 LYS 50 HZ1 LYS 50 8.712 15.309 8.586 372 HZ2 LYS 50 HZ2 LYS 50 10.328 15.083 8.658 373 HZ3 LYS 50 HZ3 LYS 50 9.602 15.338 7.217 374 H ARG 51 H ARG 51 4.083 14.017 3.858 375 HA ARG 51 HA ARG 51 1.818 12.615 4.225 376 HB2 ARG 51 HB2 ARG 51 0.046 14.458 3.801 377 HB3 ARG 51 HB3 ARG 51 0.691 14.351 5.427 378 HG2 ARG 51 HG2 ARG 51 2.504 16.075 4.221 379 HG3 ARG 51 HG3 ARG 51 1.015 16.504 3.403 380 HD2 ARG 51 HD2 ARG 51 0.357 16.215 6.179 381 HD3 ARG 51 HD3 ARG 51 1.843 17.142 6.116 382 HE ARG 51 HE ARG 51 0.204 18.270 4.138 383 HH11 ARG 51 HH22 ARG 51 -0.002 17.756 7.613 384 HH12 ARG 51 HH21 ARG 51 -1.009 19.139 7.887 385 HH21 ARG 51 HH12 ARG 51 -1.123 20.095 4.499 386 HH22 ARG 51 HH11 ARG 51 -1.651 20.478 6.103 387 H ASP 52 H ASP 52 3.533 15.217 2.500 388 HA ASP 52 HA ASP 52 2.317 15.411 0.165 389 HB2 ASP 52 HB2 ASP 52 5.283 15.051 0.753 390 HB3 ASP 52 HB3 ASP 52 4.715 15.437 -0.859 391 H VAL 53 H VAL 53 4.703 12.811 1.082 392 HA VAL 53 HA VAL 53 3.299 10.772 -0.201 393 HB VAL 53 HB VAL 53 3.969 12.010 -2.227 394 HG11 VAL 53 HG11 VAL 53 6.831 11.231 -1.651 395 HG12 VAL 53 HG12 VAL 53 6.200 12.359 -2.875 396 HG13 VAL 53 HG13 VAL 53 6.173 12.808 -1.153 397 HG21 VAL 53 HG21 VAL 53 5.464 9.887 -3.082 398 HG22 VAL 53 HG22 VAL 53 4.688 9.208 -1.632 399 HG23 VAL 53 HG23 VAL 53 3.689 9.888 -2.939 400 H LYS 54 H LYS 54 6.437 12.156 0.857 401 HA LYS 54 HA LYS 54 8.007 10.043 1.203 402 HB2 LYS 54 HB2 LYS 54 7.556 12.555 2.679 403 HB3 LYS 54 HB3 LYS 54 8.345 11.307 3.622 404 HG2 LYS 54 HG2 LYS 54 9.472 11.378 0.929 405 HG3 LYS 54 HG3 LYS 54 9.523 12.979 1.639 406 HD2 LYS 54 HD2 LYS 54 11.094 12.380 3.199 407 HD3 LYS 54 HD3 LYS 54 10.321 10.843 3.533 408 HE2 LYS 54 HE2 LYS 54 11.827 9.759 2.227 409 HE3 LYS 54 HE3 LYS 54 11.377 10.738 0.844 410 HZ1 LYS 54 HZ1 LYS 54 13.541 11.126 2.721 411 HZ2 LYS 54 HZ2 LYS 54 13.507 11.370 1.107 412 HZ3 LYS 54 HZ3 LYS 54 12.842 12.471 2.113 413 H VAL 55 H VAL 55 5.092 10.805 3.167 414 HA VAL 55 HA VAL 55 5.307 9.076 5.210 415 HB VAL 55 HB VAL 55 2.800 8.793 4.951 416 HG11 VAL 55 HG11 VAL 55 2.374 10.947 5.768 417 HG12 VAL 55 HG12 VAL 55 4.096 10.691 6.140 418 HG13 VAL 55 HG13 VAL 55 3.626 11.689 4.743 419 HG21 VAL 55 HG21 VAL 55 3.462 10.088 2.357 420 HG22 VAL 55 HG22 VAL 55 2.138 8.978 2.785 421 HG23 VAL 55 HG23 VAL 55 2.025 10.704 3.208 422 H SER 56 H SER 56 3.951 8.202 1.948 423 HA SER 56 HA SER 56 3.558 5.581 2.405 424 HB2 SER 56 HB2 SER 56 3.108 7.010 0.290 425 HB3 SER 56 HB3 SER 56 4.743 6.612 -0.200 426 HG SER 56 HG SER 56 2.487 4.863 0.140 427 H LEU 57 H LEU 57 6.626 7.231 1.430 428 HA LEU 57 HA LEU 57 8.170 4.982 1.022 429 HB2 LEU 57 HB2 LEU 57 8.676 7.408 0.527 430 HB3 LEU 57 HB3 LEU 57 9.116 7.586 2.214 431 HG LEU 57 HG LEU 57 10.468 5.334 0.894 432 HD11 LEU 57 HD11 LEU 57 10.175 7.197 -0.911 433 HD12 LEU 57 HD12 LEU 57 11.435 8.039 0.024 434 HD13 LEU 57 HD13 LEU 57 11.764 6.432 -0.668 435 HD21 LEU 57 HD21 LEU 57 12.261 7.280 1.933 436 HD22 LEU 57 HD22 LEU 57 10.882 7.158 3.051 437 HD23 LEU 57 HD23 LEU 57 11.808 5.701 2.619 438 H PHE 58 H PHE 58 7.323 6.721 4.059 439 HA PHE 58 HA PHE 58 9.025 5.109 5.657 440 HB2 PHE 58 HB2 PHE 58 8.218 7.422 6.231 441 HB3 PHE 58 HB3 PHE 58 6.556 6.867 6.196 442 HD1 PHE 58 HD2 PHE 58 9.773 6.100 7.934 443 HD2 PHE 58 HD1 PHE 58 5.544 6.336 8.200 444 HE1 PHE 58 HE2 PHE 58 9.897 5.573 10.385 445 HE2 PHE 58 HE1 PHE 58 5.669 5.809 10.651 446 HZ PHE 58 HZ PHE 58 7.844 5.433 11.714 447 H THR 59 H THR 59 5.806 4.744 4.293 448 HA THR 59 HA THR 59 4.887 2.869 6.252 449 HB THR 59 HB THR 59 3.940 3.628 3.438 450 HG1 THR 59 HG1 THR 59 3.849 5.343 5.021 451 HG21 THR 59 HG21 THR 59 2.895 1.494 4.056 452 HG22 THR 59 HG22 THR 59 2.606 2.073 5.714 453 HG23 THR 59 HG23 THR 59 1.712 2.791 4.353 454 H ALA 60 H ALA 60 6.306 2.645 2.939 455 HA ALA 60 HA ALA 60 6.143 -0.185 2.905 456 HB1 ALA 60 HB1 ALA 60 7.744 1.834 1.285 457 HB2 ALA 60 HB2 ALA 60 7.648 0.096 0.912 458 HB3 ALA 60 HB3 ALA 60 6.181 1.103 0.848 459 H PHE 61 H PHE 61 8.589 2.241 3.906 460 HA PHE 61 HA PHE 61 10.723 0.458 4.163 461 HB2 PHE 61 HB2 PHE 61 11.058 2.876 4.165 462 HB3 PHE 61 HB3 PHE 61 9.853 3.113 5.414 463 HD1 PHE 61 HD1 PHE 61 13.095 1.310 4.951 464 HD2 PHE 61 HD2 PHE 61 10.612 3.583 7.535 465 HE1 PHE 61 HE1 PHE 61 14.900 1.298 6.695 466 HE2 PHE 61 HE2 PHE 61 12.417 3.571 9.279 467 HZ PHE 61 HZ PHE 61 14.539 2.429 8.839 468 H PHE 62 H PHE 62 8.270 1.647 6.556 469 HA PHE 62 HA PHE 62 9.340 0.260 8.729 470 HB2 PHE 62 HB2 PHE 62 7.557 2.174 8.530 471 HB3 PHE 62 HB3 PHE 62 6.401 0.921 8.127 472 HD1 PHE 62 HD2 PHE 62 9.022 1.448 10.747 473 HD2 PHE 62 HD1 PHE 62 5.040 0.281 9.859 474 HE1 PHE 62 HE2 PHE 62 8.591 1.060 13.189 475 HE2 PHE 62 HE1 PHE 62 4.609 -0.108 12.301 476 HZ PHE 62 HZ PHE 62 6.390 0.287 13.937 477 H LEU 63 H LEU 63 6.743 -0.597 6.354 478 HA LEU 63 HA LEU 63 5.966 -2.969 7.551 479 HB2 LEU 63 HB2 LEU 63 5.245 -1.500 5.361 480 HB3 LEU 63 HB3 LEU 63 5.952 -2.917 4.611 481 HG LEU 63 HG LEU 63 4.052 -3.495 6.803 482 HD11 LEU 63 HD11 LEU 63 2.133 -2.659 5.948 483 HD12 LEU 63 HD12 LEU 63 3.238 -1.426 5.292 484 HD13 LEU 63 HD13 LEU 63 2.697 -2.774 4.263 485 HD21 LEU 63 HD21 LEU 63 4.830 -5.365 5.640 486 HD22 LEU 63 HD22 LEU 63 3.209 -5.079 4.961 487 HD23 LEU 63 HD23 LEU 63 4.656 -4.574 4.055 488 H ALA 64 H ALA 64 8.351 -2.465 4.853 489 HA ALA 64 HA ALA 64 9.167 -5.070 4.619 490 HB1 ALA 64 HB1 ALA 64 10.010 -2.447 3.778 491 HB2 ALA 64 HB2 ALA 64 11.441 -3.380 4.279 492 HB3 ALA 64 HB3 ALA 64 10.353 -4.023 3.026 493 H THR 65 H THR 65 10.506 -2.476 6.778 494 HA THR 65 HA THR 65 12.483 -4.031 7.957 495 HB THR 65 HB THR 65 10.860 -1.583 8.762 496 HG1 THR 65 HG1 THR 65 12.867 -0.673 8.117 497 HG21 THR 65 HG21 THR 65 11.741 -2.998 10.813 498 HG22 THR 65 HG22 THR 65 13.354 -2.519 10.232 499 HG23 THR 65 HG23 THR 65 12.179 -1.275 10.722 500 H ILE 66 H ILE 66 8.977 -3.962 8.487 501 HA ILE 66 HA ILE 66 9.158 -5.384 10.961 502 HB ILE 66 HB ILE 66 6.939 -4.548 9.120 503 HG12 ILE 66 HG12 ILE 66 8.037 -2.915 10.681 504 HG13 ILE 66 HG13 ILE 66 6.306 -3.097 10.888 505 HG21 ILE 66 HG21 ILE 66 6.057 -6.593 9.780 506 HG22 ILE 66 HG22 ILE 66 6.813 -6.519 11.389 507 HG23 ILE 66 HG23 ILE 66 5.427 -5.469 11.008 508 HD11 ILE 66 HD11 ILE 66 7.254 -3.125 13.099 509 HD12 ILE 66 HD12 ILE 66 6.815 -4.811 12.733 510 HD13 ILE 66 HD13 ILE 66 8.513 -4.288 12.617 511 H MET 67 H MET 67 8.998 -6.155 7.506 512 HA MET 67 HA MET 67 8.305 -8.878 8.033 513 HB2 MET 67 HB2 MET 67 9.095 -7.266 5.556 514 HB3 MET 67 HB3 MET 67 8.862 -9.001 5.465 515 HG2 MET 67 HG2 MET 67 6.593 -7.988 6.875 516 HG3 MET 67 HG3 MET 67 6.851 -6.889 5.535 517 HE1 MET 67 HE1 MET 67 4.851 -8.589 3.007 518 HE2 MET 67 HE2 MET 67 4.979 -7.256 4.179 519 HE3 MET 67 HE3 MET 67 6.277 -7.524 2.991 520 H GLY 68 H GLY 68 11.189 -7.108 6.695 521 HA2 GLY 68 HA2 GLY 68 13.367 -7.640 7.517 522 HA3 GLY 68 HA3 GLY 68 12.871 -9.309 7.717 523 H VAL 69 H VAL 69 11.845 -10.246 5.475 524 HA VAL 69 HA VAL 69 13.619 -9.378 3.305 525 HB VAL 69 HB VAL 69 13.061 -12.203 4.227 526 HG11 VAL 69 HG11 VAL 69 13.373 -12.810 2.097 527 HG12 VAL 69 HG12 VAL 69 13.826 -11.156 1.619 528 HG13 VAL 69 HG13 VAL 69 15.058 -12.262 2.273 529 HG21 VAL 69 HG21 VAL 69 14.746 -10.924 5.553 530 HG22 VAL 69 HG22 VAL 69 15.425 -12.335 4.708 531 HG23 VAL 69 HG23 VAL 69 15.693 -10.698 4.063 532 H ARG 70 H ARG 70 12.686 -9.367 1.251 533 HA ARG 70 HA ARG 70 9.934 -9.144 1.193 534 HB2 ARG 70 HB2 ARG 70 12.182 -9.046 -0.741 535 HB3 ARG 70 HB3 ARG 70 10.689 -9.608 -1.466 536 HG2 ARG 70 HG2 ARG 70 9.613 -7.577 -1.182 537 HG3 ARG 70 HG3 ARG 70 10.423 -7.233 0.334 538 HD2 ARG 70 HD2 ARG 70 11.156 -5.684 -1.488 539 HD3 ARG 70 HD3 ARG 70 12.494 -6.615 -0.846 540 HE ARG 70 HE ARG 70 11.188 -7.023 -3.492 541 HH11 ARG 70 HH22 ARG 70 13.693 -7.934 -1.195 542 HH12 ARG 70 HH21 ARG 70 14.620 -8.818 -2.361 543 HH21 ARG 70 HH12 ARG 70 12.410 -8.189 -5.031 544 HH22 ARG 70 HH11 ARG 70 13.885 -8.964 -4.558 545 H PHE 71 H PHE 71 9.245 -11.227 2.200 546 HA PHE 71 HA PHE 71 8.340 -13.233 2.074 547 HB2 PHE 71 HB2 PHE 71 8.321 -12.140 -0.615 548 HB3 PHE 71 HB3 PHE 71 8.739 -13.835 -0.765 549 HD1 PHE 71 HD2 PHE 71 7.143 -15.571 -0.148 550 HD2 PHE 71 HD1 PHE 71 6.127 -11.464 0.180 551 HE1 PHE 71 HE2 PHE 71 4.719 -16.187 0.058 552 HE2 PHE 71 HE1 PHE 71 3.703 -12.080 0.387 553 HZ PHE 71 HZ PHE 71 3.027 -14.434 0.323 554 H LYS 72 H LYS 72 10.694 -13.472 -0.685 555 HA LYS 72 HA LYS 72 12.644 -14.830 0.786 556 HB2 LYS 72 HB2 LYS 72 12.344 -17.112 0.098 557 HB3 LYS 72 HB3 LYS 72 10.895 -16.582 0.928 558 HG2 LYS 72 HG2 LYS 72 10.400 -15.906 -1.760 559 HG3 LYS 72 HG3 LYS 72 11.234 -17.443 -1.869 560 HD2 LYS 72 HD2 LYS 72 9.450 -17.874 0.239 561 HD3 LYS 72 HD3 LYS 72 8.525 -16.843 -0.835 562 HE2 LYS 72 HE2 LYS 72 8.044 -19.006 -1.656 563 HE3 LYS 72 HE3 LYS 72 9.303 -18.457 -2.744 564 HZ1 LYS 72 HZ1 LYS 72 10.339 -20.297 -2.135 565 HZ2 LYS 72 HZ2 LYS 72 10.670 -19.571 -0.710 566 HZ3 LYS 72 HZ3 LYS 72 9.377 -20.560 -0.842 567 H ARG 73 H ARG 73 12.788 -12.667 -0.856 568 HA ARG 73 HA ARG 73 13.509 -11.866 -2.762 569 HB2 ARG 73 HB2 ARG 73 15.448 -13.691 -1.622 570 HB3 ARG 73 HB3 ARG 73 15.615 -13.750 -3.365 571 HG2 ARG 73 HG2 ARG 73 16.802 -11.821 -3.237 572 HG3 ARG 73 HG3 ARG 73 15.310 -11.003 -2.818 573 HD2 ARG 73 HD2 ARG 73 15.727 -11.219 -0.451 574 HD3 ARG 73 HD3 ARG 73 16.990 -12.409 -0.701 575 HE ARG 73 HE ARG 73 17.296 -9.530 -0.822 576 HH11 ARG 73 HH22 ARG 73 18.512 -12.528 -2.208 577 HH12 ARG 73 HH21 ARG 73 20.057 -11.861 -2.618 578 HH21 ARG 73 HH12 ARG 73 19.334 -8.650 -1.364 579 HH22 ARG 73 HH11 ARG 73 20.528 -9.640 -2.135 580 H SER 74 H SER 74 11.619 -12.430 -4.100 581 HA SER 74 HA SER 74 12.306 -13.749 -6.416 582 HB2 SER 74 HB2 SER 74 11.150 -15.825 -6.347 583 HB3 SER 74 HB3 SER 74 12.035 -15.762 -4.835 584 HG SER 74 HG SER 74 9.353 -16.002 -5.215 585 H LYS 75 H LYS 75 9.992 -14.334 -7.656 586 HA LYS 75 HA LYS 75 8.071 -12.273 -6.860 587 HB2 LYS 75 HB2 LYS 75 9.308 -12.620 -9.604 588 HB3 LYS 75 HB3 LYS 75 7.849 -11.696 -9.309 589 HG2 LYS 75 HG2 LYS 75 9.045 -10.186 -7.778 590 HG3 LYS 75 HG3 LYS 75 10.492 -11.169 -7.874 591 HD2 LYS 75 HD2 LYS 75 10.288 -10.722 -10.487 592 HD3 LYS 75 HD3 LYS 75 9.280 -9.377 -9.993 593 HE2 LYS 75 HE2 LYS 75 11.371 -8.997 -8.282 594 HE3 LYS 75 HE3 LYS 75 12.224 -9.796 -9.588 595 HZ1 LYS 75 HZ1 LYS 75 12.254 -7.569 -10.130 596 HZ2 LYS 75 HZ2 LYS 75 11.039 -8.139 -11.060 597 HZ3 LYS 75 HZ3 LYS 75 10.702 -7.305 -9.697 598 H LYS 76 H LYS 76 7.201 -14.398 -5.924 599 HA LYS 76 HA LYS 76 6.045 -16.105 -7.977 600 HB2 LYS 76 HB2 LYS 76 5.673 -17.682 -6.269 601 HB3 LYS 76 HB3 LYS 76 7.258 -17.010 -5.945 602 HG2 LYS 76 HG2 LYS 76 6.564 -16.427 -3.870 603 HG3 LYS 76 HG3 LYS 76 5.417 -15.312 -4.584 604 HD2 LYS 76 HD2 LYS 76 3.628 -16.735 -4.282 605 HD3 LYS 76 HD3 LYS 76 4.566 -18.169 -4.652 606 HE2 LYS 76 HE2 LYS 76 5.674 -17.991 -2.390 607 HE3 LYS 76 HE3 LYS 76 4.659 -16.610 -2.023 608 HZ1 LYS 76 HZ1 LYS 76 3.168 -18.837 -2.957 609 HZ2 LYS 76 HZ2 LYS 76 4.012 -19.186 -1.603 610 HZ3 LYS 76 HZ3 LYS 76 2.958 -17.938 -1.609 611 H ILE 77 H ILE 77 5.047 -13.551 -8.196 612 HA ILE 77 HA ILE 77 3.226 -12.288 -8.052 613 HB ILE 77 HB ILE 77 1.932 -15.016 -8.108 614 HG12 ILE 77 HG12 ILE 77 1.841 -13.791 -10.636 615 HG13 ILE 77 HG13 ILE 77 3.472 -13.515 -10.058 616 HG21 ILE 77 HG21 ILE 77 0.625 -12.701 -7.571 617 HG22 ILE 77 HG22 ILE 77 0.568 -12.709 -9.350 618 HG23 ILE 77 HG23 ILE 77 -0.090 -14.085 -8.433 619 HD11 ILE 77 HD11 ILE 77 3.371 -16.070 -9.357 620 HD12 ILE 77 HD12 ILE 77 2.051 -16.136 -10.550 621 HD13 ILE 77 HD13 ILE 77 3.681 -15.627 -11.053 622 H MET 78 H MET 78 3.649 -11.331 -5.998 623 HA MET 78 HA MET 78 1.652 -11.320 -4.242 624 HB2 MET 78 HB2 MET 78 3.221 -13.766 -3.932 625 HB3 MET 78 HB3 MET 78 3.398 -12.794 -2.484 626 HG2 MET 78 HG2 MET 78 0.931 -12.646 -2.243 627 HG3 MET 78 HG3 MET 78 0.709 -13.528 -3.741 628 HE1 MET 78 HE1 MET 78 -0.331 -16.485 -1.855 629 HE2 MET 78 HE2 MET 78 -0.748 -15.040 -2.807 630 HE3 MET 78 HE3 MET 78 0.271 -16.313 -3.521 631 HA PRO 79 HA PRO 79 5.632 -9.613 -2.302 632 HB2 PRO 79 HB2 PRO 79 8.056 -10.176 -3.430 633 HB3 PRO 79 HB3 PRO 79 7.396 -11.075 -2.078 634 HG2 PRO 79 HG2 PRO 79 7.588 -11.874 -4.918 635 HG3 PRO 79 HG3 PRO 79 7.336 -12.884 -3.508 636 HD2 PRO 79 HD2 PRO 79 5.352 -12.073 -5.414 637 HD3 PRO 79 HD3 PRO 79 5.081 -12.986 -3.943 638 H ALA 80 H ALA 80 6.905 -9.863 -5.589 639 HA ALA 80 HA ALA 80 7.613 -7.282 -5.908 640 HB1 ALA 80 HB1 ALA 80 8.086 -8.108 -7.942 641 HB2 ALA 80 HB2 ALA 80 7.156 -9.571 -7.539 642 HB3 ALA 80 HB3 ALA 80 6.353 -8.197 -8.336 643 H GLY 81 H GLY 81 4.311 -8.696 -6.266 644 HA2 GLY 81 HA2 GLY 81 2.867 -6.708 -7.346 645 HA3 GLY 81 HA3 GLY 81 2.303 -7.681 -6.002 646 H LEU 82 H LEU 82 3.791 -6.889 -3.829 647 HA LEU 82 HA LEU 82 2.565 -4.601 -2.991 648 HB2 LEU 82 HB2 LEU 82 4.285 -6.490 -1.945 649 HB3 LEU 82 HB3 LEU 82 5.213 -5.009 -1.821 650 HG LEU 82 HG LEU 82 2.969 -4.064 -0.773 651 HD11 LEU 82 HD11 LEU 82 1.694 -5.666 0.469 652 HD12 LEU 82 HD12 LEU 82 1.721 -6.178 -1.235 653 HD13 LEU 82 HD13 LEU 82 2.761 -6.996 -0.044 654 HD21 LEU 82 HD21 LEU 82 4.788 -3.874 0.594 655 HD22 LEU 82 HD22 LEU 82 3.863 -5.103 1.490 656 HD23 LEU 82 HD23 LEU 82 5.223 -5.594 0.452 657 H VAL 83 H VAL 83 5.871 -4.950 -4.434 658 HA VAL 83 HA VAL 83 6.567 -2.273 -4.256 659 HB VAL 83 HB VAL 83 7.331 -4.428 -6.233 660 HG11 VAL 83 HG11 VAL 83 7.819 -2.258 -7.219 661 HG12 VAL 83 HG12 VAL 83 8.632 -1.731 -5.726 662 HG13 VAL 83 HG13 VAL 83 9.332 -3.042 -6.704 663 HG21 VAL 83 HG21 VAL 83 8.944 -5.102 -4.772 664 HG22 VAL 83 HG22 VAL 83 9.179 -3.470 -4.101 665 HG23 VAL 83 HG23 VAL 83 7.788 -4.453 -3.584 666 H ALA 84 H ALA 84 4.579 -4.067 -6.637 667 HA ALA 84 HA ALA 84 4.470 -1.980 -8.528 668 HB1 ALA 84 HB1 ALA 84 2.685 -3.313 -9.512 669 HB2 ALA 84 HB2 ALA 84 3.980 -4.399 -8.953 670 HB3 ALA 84 HB3 ALA 84 2.487 -4.228 -7.998 671 H GLY 85 H GLY 85 2.774 -2.691 -5.493 672 HA2 GLY 85 HA2 GLY 85 0.547 -0.977 -5.944 673 HA3 GLY 85 HA3 GLY 85 1.092 -1.641 -4.417 674 H LEU 86 H LEU 86 3.698 -0.633 -4.165 675 HA LEU 86 HA LEU 86 3.198 1.937 -3.221 676 HB2 LEU 86 HB2 LEU 86 5.853 0.654 -3.878 677 HB3 LEU 86 HB3 LEU 86 5.596 2.035 -2.831 678 HG LEU 86 HG LEU 86 4.405 -0.690 -2.275 679 HD11 LEU 86 HD11 LEU 86 6.230 -1.270 -0.926 680 HD12 LEU 86 HD12 LEU 86 6.961 -0.632 -2.419 681 HD13 LEU 86 HD13 LEU 86 6.897 0.380 -0.956 682 HD21 LEU 86 HD21 LEU 86 3.286 1.170 -1.160 683 HD22 LEU 86 HD22 LEU 86 4.168 0.160 0.010 684 HD23 LEU 86 HD23 LEU 86 4.842 1.727 -0.499 685 H SER 87 H SER 87 4.887 0.787 -6.214 686 HA SER 87 HA SER 87 5.598 3.259 -7.139 687 HB2 SER 87 HB2 SER 87 5.086 0.574 -8.371 688 HB3 SER 87 HB3 SER 87 5.160 1.935 -9.473 689 HG SER 87 HG SER 87 7.253 2.483 -8.300 690 H LEU 88 H LEU 88 2.596 1.324 -7.821 691 HA LEU 88 HA LEU 88 1.383 3.079 -9.544 692 HB2 LEU 88 HB2 LEU 88 0.659 0.800 -7.922 693 HB3 LEU 88 HB3 LEU 88 -0.646 1.969 -7.956 694 HG LEU 88 HG LEU 88 0.384 1.617 -10.626 695 HD11 LEU 88 HD11 LEU 88 -0.325 -0.925 -9.145 696 HD12 LEU 88 HD12 LEU 88 -0.335 -0.769 -10.918 697 HD13 LEU 88 HD13 LEU 88 1.182 -0.546 -10.014 698 HD21 LEU 88 HD21 LEU 88 -1.808 2.498 -10.175 699 HD22 LEU 88 HD22 LEU 88 -1.974 0.968 -11.070 700 HD23 LEU 88 HD23 LEU 88 -2.279 1.011 -9.317 701 H MET 89 H MET 89 1.319 3.024 -5.928 702 HA MET 89 HA MET 89 -0.472 5.054 -5.583 703 HB2 MET 89 HB2 MET 89 1.446 3.554 -4.031 704 HB3 MET 89 HB3 MET 89 1.689 5.242 -3.629 705 HG2 MET 89 HG2 MET 89 -1.156 4.257 -3.739 706 HG3 MET 89 HG3 MET 89 -0.175 3.716 -2.391 707 HE1 MET 89 HE1 MET 89 -2.217 5.984 -3.993 708 HE2 MET 89 HE2 MET 89 -2.548 7.223 -2.759 709 HE3 MET 89 HE3 MET 89 -1.345 7.535 -4.032 710 H MET 90 H MET 90 3.136 5.248 -5.913 711 HA MET 90 HA MET 90 3.386 7.933 -5.514 712 HB2 MET 90 HB2 MET 90 4.905 6.075 -7.428 713 HB3 MET 90 HB3 MET 90 5.485 7.657 -6.948 714 HG2 MET 90 HG2 MET 90 4.855 5.409 -4.974 715 HG3 MET 90 HG3 MET 90 6.459 5.738 -5.597 716 HE1 MET 90 HE1 MET 90 4.267 7.317 -2.239 717 HE2 MET 90 HE2 MET 90 4.479 5.741 -3.040 718 HE3 MET 90 HE3 MET 90 5.765 6.388 -1.993 719 H ILE 91 H ILE 91 3.025 6.200 -8.695 720 HA ILE 91 HA ILE 91 3.004 8.417 -10.309 721 HB ILE 91 HB ILE 91 1.602 5.759 -10.555 722 HG12 ILE 91 HG12 ILE 91 3.932 6.498 -12.238 723 HG13 ILE 91 HG13 ILE 91 4.266 6.275 -10.532 724 HG21 ILE 91 HG21 ILE 91 1.731 6.457 -13.087 725 HG22 ILE 91 HG22 ILE 91 0.355 6.946 -12.069 726 HG23 ILE 91 HG23 ILE 91 1.662 8.104 -12.414 727 HD11 ILE 91 HD11 ILE 91 4.509 4.090 -11.343 728 HD12 ILE 91 HD12 ILE 91 2.812 4.075 -10.806 729 HD13 ILE 91 HD13 ILE 91 3.197 4.278 -12.532 730 H LEU 92 H LEU 92 0.173 6.766 -8.745 731 HA LEU 92 HA LEU 92 -1.748 8.515 -9.694 732 HB2 LEU 92 HB2 LEU 92 -1.506 6.448 -7.650 733 HB3 LEU 92 HB3 LEU 92 -2.633 7.710 -7.196 734 HG LEU 92 HG LEU 92 -3.736 7.362 -9.477 735 HD11 LEU 92 HD11 LEU 92 -2.121 6.189 -10.718 736 HD12 LEU 92 HD12 LEU 92 -1.876 4.985 -9.431 737 HD13 LEU 92 HD13 LEU 92 -3.392 4.995 -10.363 738 HD21 LEU 92 HD21 LEU 92 -5.224 5.831 -8.594 739 HD22 LEU 92 HD22 LEU 92 -3.948 4.887 -7.789 740 HD23 LEU 92 HD23 LEU 92 -4.435 6.468 -7.131 741 H ARG 93 H ARG 93 0.662 8.859 -7.121 742 HA ARG 93 HA ARG 93 -0.651 11.027 -5.897 743 HB2 ARG 93 HB2 ARG 93 1.842 9.502 -5.558 744 HB3 ARG 93 HB3 ARG 93 2.119 11.214 -5.308 745 HG2 ARG 93 HG2 ARG 93 -0.366 10.245 -4.017 746 HG3 ARG 93 HG3 ARG 93 1.073 9.443 -3.419 747 HD2 ARG 93 HD2 ARG 93 1.475 11.262 -2.120 748 HD3 ARG 93 HD3 ARG 93 1.806 12.175 -3.579 749 HE ARG 93 HE ARG 93 -0.186 13.313 -3.203 750 HH11 ARG 93 HH22 ARG 93 -0.483 10.088 -1.826 751 HH12 ARG 93 HH21 ARG 93 -2.085 10.354 -1.223 752 HH21 ARG 93 HH12 ARG 93 -2.300 13.665 -2.407 753 HH22 ARG 93 HH11 ARG 93 -3.125 12.402 -1.556 754 H LEU 94 H LEU 94 1.629 10.583 -8.586 755 HA LEU 94 HA LEU 94 2.726 13.120 -8.714 756 HB2 LEU 94 HB2 LEU 94 3.152 10.883 -10.023 757 HB3 LEU 94 HB3 LEU 94 2.038 11.578 -11.183 758 HG LEU 94 HG LEU 94 3.557 13.638 -11.199 759 HD11 LEU 94 HD11 LEU 94 4.784 12.395 -9.073 760 HD12 LEU 94 HD12 LEU 94 5.889 12.044 -10.424 761 HD13 LEU 94 HD13 LEU 94 5.462 13.728 -10.038 762 HD21 LEU 94 HD21 LEU 94 5.363 12.175 -12.544 763 HD22 LEU 94 HD22 LEU 94 4.058 10.972 -12.405 764 HD23 LEU 94 HD23 LEU 94 3.739 12.547 -13.172 765 H VAL 95 H VAL 95 -0.403 11.833 -9.945 766 HA VAL 95 HA VAL 95 -1.061 14.356 -11.150 767 HB VAL 95 HB VAL 95 -2.537 11.760 -10.715 768 HG11 VAL 95 HG11 VAL 95 -4.012 13.078 -12.598 769 HG12 VAL 95 HG12 VAL 95 -4.420 12.996 -10.867 770 HG13 VAL 95 HG13 VAL 95 -3.561 14.415 -11.513 771 HG21 VAL 95 HG21 VAL 95 -1.487 11.138 -12.580 772 HG22 VAL 95 HG22 VAL 95 -2.305 12.456 -13.453 773 HG23 VAL 95 HG23 VAL 95 -0.709 12.733 -12.714 774 H LEU 96 H LEU 96 -2.078 12.428 -8.258 775 HA LEU 96 HA LEU 96 -4.057 14.013 -7.308 776 HB2 LEU 96 HB2 LEU 96 -2.364 11.954 -6.344 777 HB3 LEU 96 HB3 LEU 96 -2.386 13.212 -5.124 778 HG LEU 96 HG LEU 96 -4.092 11.483 -4.740 779 HD11 LEU 96 HD11 LEU 96 -6.120 13.177 -4.772 780 HD12 LEU 96 HD12 LEU 96 -4.738 13.398 -3.671 781 HD13 LEU 96 HD13 LEU 96 -4.838 14.344 -5.176 782 HD21 LEU 96 HD21 LEU 96 -4.477 11.558 -7.477 783 HD22 LEU 96 HD22 LEU 96 -5.492 10.703 -6.290 784 HD23 LEU 96 HD23 LEU 96 -5.942 12.338 -6.832 785 H LEU 97 H LEU 97 -0.540 14.629 -7.305 786 HA LEU 97 HA LEU 97 -0.279 16.581 -5.469 787 HB2 LEU 97 HB2 LEU 97 1.136 15.632 -7.705 788 HB3 LEU 97 HB3 LEU 97 1.039 17.370 -7.911 789 HG LEU 97 HG LEU 97 3.080 16.818 -6.771 790 HD11 LEU 97 HD11 LEU 97 1.830 17.834 -4.361 791 HD12 LEU 97 HD12 LEU 97 2.941 18.634 -5.499 792 HD13 LEU 97 HD13 LEU 97 1.189 18.637 -5.814 793 HD21 LEU 97 HD21 LEU 97 1.574 15.627 -4.452 794 HD22 LEU 97 HD22 LEU 97 2.090 14.629 -5.833 795 HD23 LEU 97 HD23 LEU 97 3.302 15.502 -4.864 796 H LEU 98 H LEU 98 -1.675 16.915 -8.784 797 HA LEU 98 HA LEU 98 -2.217 19.702 -8.330 798 HB2 LEU 98 HB2 LEU 98 -1.920 17.996 -10.546 799 HB3 LEU 98 HB3 LEU 98 -3.585 18.538 -10.587 800 HG LEU 98 HG LEU 98 -1.194 20.390 -10.404 801 HD11 LEU 98 HD11 LEU 98 -2.849 19.637 -12.829 802 HD12 LEU 98 HD12 LEU 98 -1.576 20.881 -12.772 803 HD13 LEU 98 HD13 LEU 98 -1.160 19.169 -12.518 804 HD21 LEU 98 HD21 LEU 98 -3.356 21.779 -11.454 805 HD22 LEU 98 HD22 LEU 98 -4.067 20.792 -10.154 806 HD23 LEU 98 HD23 LEU 98 -2.717 21.895 -9.797 807 H LEU 99 H LEU 99 -4.088 16.614 -8.582 808 HA LEU 99 HA LEU 99 -6.612 17.520 -8.403 809 HB2 LEU 99 HB2 LEU 99 -5.442 15.117 -8.293 810 HB3 LEU 99 HB3 LEU 99 -5.887 15.268 -6.605 811 HG LEU 99 HG LEU 99 -8.149 16.004 -8.216 812 HD11 LEU 99 HD11 LEU 99 -6.959 14.630 -9.950 813 HD12 LEU 99 HD12 LEU 99 -7.114 13.234 -8.857 814 HD13 LEU 99 HD13 LEU 99 -8.572 14.035 -9.489 815 HD21 LEU 99 HD21 LEU 99 -7.534 13.784 -6.262 816 HD22 LEU 99 HD22 LEU 99 -8.467 15.277 -5.996 817 HD23 LEU 99 HD23 LEU 99 -9.129 13.985 -7.026 Start of MODEL 19 1 H MET 1 H1 MET 1 -28.889 -16.697 -20.088 2 HA MET 1 HA MET 1 -27.185 -15.171 -19.020 3 HB2 MET 1 HB2 MET 1 -25.785 -16.334 -17.311 4 HB3 MET 1 HB3 MET 1 -27.450 -16.251 -16.770 5 HG2 MET 1 HG2 MET 1 -27.252 -18.662 -18.289 6 HG3 MET 1 HG3 MET 1 -25.812 -18.609 -17.291 7 HE1 MET 1 HE1 MET 1 -28.496 -20.968 -15.898 8 HE2 MET 1 HE2 MET 1 -29.663 -19.938 -16.761 9 HE3 MET 1 HE3 MET 1 -28.148 -20.427 -17.558 10 H ASP 2 H ASP 2 -27.368 -16.020 -21.492 11 HA ASP 2 HA ASP 2 -25.161 -17.889 -21.856 12 HB2 ASP 2 HB2 ASP 2 -27.158 -17.113 -24.008 13 HB3 ASP 2 HB3 ASP 2 -26.140 -18.538 -23.943 14 H LEU 3 H LEU 3 -26.869 -15.036 -23.362 15 HA LEU 3 HA LEU 3 -24.239 -14.094 -24.273 16 HB2 LEU 3 HB2 LEU 3 -26.941 -13.579 -25.520 17 HB3 LEU 3 HB3 LEU 3 -25.397 -12.992 -26.103 18 HG LEU 3 HG LEU 3 -25.700 -15.944 -25.806 19 HD11 LEU 3 HD11 LEU 3 -27.214 -14.285 -27.814 20 HD12 LEU 3 HD12 LEU 3 -26.696 -15.949 -28.180 21 HD13 LEU 3 HD13 LEU 3 -27.785 -15.637 -26.807 22 HD21 LEU 3 HD21 LEU 3 -23.670 -14.496 -26.675 23 HD22 LEU 3 HD22 LEU 3 -24.072 -16.067 -27.408 24 HD23 LEU 3 HD23 LEU 3 -24.578 -14.558 -28.205 25 H ILE 4 H ILE 4 -23.585 -12.052 -23.678 26 HA ILE 4 HA ILE 4 -25.467 -10.138 -22.725 27 HB ILE 4 HB ILE 4 -25.351 -11.627 -20.782 28 HG12 ILE 4 HG12 ILE 4 -24.540 -9.810 -19.136 29 HG13 ILE 4 HG13 ILE 4 -24.230 -8.834 -20.558 30 HG21 ILE 4 HG21 ILE 4 -22.869 -12.234 -21.347 31 HG22 ILE 4 HG22 ILE 4 -22.497 -10.838 -20.308 32 HG23 ILE 4 HG23 ILE 4 -23.428 -12.208 -19.657 33 HD11 ILE 4 HD11 ILE 4 -26.423 -8.295 -20.675 34 HD12 ILE 4 HD12 ILE 4 -26.839 -10.014 -20.872 35 HD13 ILE 4 HD13 ILE 4 -26.741 -9.303 -19.243 36 H GLY 5 H GLY 5 -24.684 -8.159 -23.254 37 HA2 GLY 5 HA2 GLY 5 -22.220 -7.888 -24.567 38 HA3 GLY 5 HA3 GLY 5 -23.258 -6.593 -24.004 39 H PHE 6 H PHE 6 -20.800 -5.810 -23.750 40 HA PHE 6 HA PHE 6 -19.636 -6.757 -21.278 41 HB2 PHE 6 HB2 PHE 6 -18.652 -5.853 -23.684 42 HB3 PHE 6 HB3 PHE 6 -18.699 -4.325 -22.827 43 HD1 PHE 6 HD1 PHE 6 -17.474 -7.822 -22.380 44 HD2 PHE 6 HD2 PHE 6 -16.864 -3.702 -21.566 45 HE1 PHE 6 HE1 PHE 6 -15.274 -8.362 -21.297 46 HE2 PHE 6 HE2 PHE 6 -14.664 -4.242 -20.484 47 HZ PHE 6 HZ PHE 6 -13.896 -6.565 -20.362 48 H GLY 7 H GLY 7 -20.667 -3.551 -22.666 49 HA2 GLY 7 HA2 GLY 7 -20.374 -1.874 -20.621 50 HA3 GLY 7 HA3 GLY 7 -21.800 -1.865 -21.641 51 H TYR 8 H TYR 8 -23.315 -3.996 -20.981 52 HA TYR 8 HA TYR 8 -24.608 -3.310 -18.696 53 HB2 TYR 8 HB2 TYR 8 -24.986 -5.063 -20.693 54 HB3 TYR 8 HB3 TYR 8 -24.203 -6.204 -19.618 55 HD1 TYR 8 HD2 TYR 8 -25.280 -5.633 -16.991 56 HD2 TYR 8 HD1 TYR 8 -27.255 -5.542 -20.786 57 HE1 TYR 8 HE2 TYR 8 -27.509 -6.079 -15.851 58 HE2 TYR 8 HE1 TYR 8 -29.476 -5.989 -19.633 59 HH TYR 8 HH TYR 8 -30.513 -6.169 -17.738 60 H ALA 9 H ALA 9 -22.068 -5.882 -19.044 61 HA ALA 9 HA ALA 9 -22.114 -6.727 -16.409 62 HB1 ALA 9 HB1 ALA 9 -19.527 -7.134 -17.139 63 HB2 ALA 9 HB2 ALA 9 -20.877 -8.153 -17.694 64 HB3 ALA 9 HB3 ALA 9 -20.260 -6.848 -18.735 65 H ALA 10 H ALA 10 -20.494 -3.944 -17.987 66 HA ALA 10 HA ALA 10 -18.869 -3.291 -15.776 67 HB1 ALA 10 HB1 ALA 10 -18.049 -2.182 -17.574 68 HB2 ALA 10 HB2 ALA 10 -19.624 -2.173 -18.403 69 HB3 ALA 10 HB3 ALA 10 -19.259 -0.942 -17.171 70 H LEU 11 H LEU 11 -22.255 -2.676 -16.670 71 HA LEU 11 HA LEU 11 -22.647 -0.540 -14.864 72 HB2 LEU 11 HB2 LEU 11 -24.005 -1.348 -16.936 73 HB3 LEU 11 HB3 LEU 11 -24.813 -2.396 -15.787 74 HG LEU 11 HG LEU 11 -24.612 0.566 -15.276 75 HD11 LEU 11 HD11 LEU 11 -26.016 -0.682 -17.472 76 HD12 LEU 11 HD12 LEU 11 -27.160 0.084 -16.343 77 HD13 LEU 11 HD13 LEU 11 -25.842 1.041 -17.061 78 HD21 LEU 11 HD21 LEU 11 -25.995 0.193 -13.563 79 HD22 LEU 11 HD22 LEU 11 -27.045 -0.877 -14.522 80 HD23 LEU 11 HD23 LEU 11 -25.572 -1.524 -13.762 81 H VAL 12 H VAL 12 -23.459 -4.078 -14.707 82 HA VAL 12 HA VAL 12 -24.483 -4.073 -12.157 83 HB VAL 12 HB VAL 12 -22.943 -6.155 -13.710 84 HG11 VAL 12 HG11 VAL 12 -24.715 -7.249 -11.695 85 HG12 VAL 12 HG12 VAL 12 -22.987 -7.568 -11.982 86 HG13 VAL 12 HG13 VAL 12 -23.481 -6.205 -10.949 87 HG21 VAL 12 HG21 VAL 12 -25.109 -7.065 -14.253 88 HG22 VAL 12 HG22 VAL 12 -25.921 -5.902 -13.178 89 HG23 VAL 12 HG23 VAL 12 -25.109 -5.331 -14.656 90 H THR 13 H THR 13 -21.078 -4.932 -13.117 91 HA THR 13 HA THR 13 -20.015 -5.168 -10.621 92 HB THR 13 HB THR 13 -18.907 -4.118 -13.266 93 HG1 THR 13 HG1 THR 13 -19.255 -6.338 -13.347 94 HG21 THR 13 HG21 THR 13 -17.640 -3.741 -10.778 95 HG22 THR 13 HG22 THR 13 -16.987 -5.292 -11.356 96 HG23 THR 13 HG23 THR 13 -16.822 -3.829 -12.357 97 H PHE 14 H PHE 14 -20.405 -2.104 -12.504 98 HA PHE 14 HA PHE 14 -19.171 -0.410 -10.769 99 HB2 PHE 14 HB2 PHE 14 -21.242 -0.401 -12.878 100 HB3 PHE 14 HB3 PHE 14 -21.593 0.834 -11.685 101 HD1 PHE 14 HD2 PHE 14 -18.620 -0.444 -13.562 102 HD2 PHE 14 HD1 PHE 14 -20.744 2.928 -12.103 103 HE1 PHE 14 HE2 PHE 14 -16.947 1.080 -14.648 104 HE2 PHE 14 HE1 PHE 14 -19.071 4.452 -13.190 105 HZ PHE 14 HZ PHE 14 -17.193 3.510 -14.449 106 H GLY 15 H GLY 15 -22.641 -1.480 -10.704 107 HA2 GLY 15 HA2 GLY 15 -23.309 0.013 -8.391 108 HA3 GLY 15 HA3 GLY 15 -24.211 -1.313 -9.098 109 H SER 16 H SER 16 -22.896 -3.579 -8.847 110 HA SER 16 HA SER 16 -23.130 -4.382 -6.341 111 HB2 SER 16 HB2 SER 16 -21.988 -5.417 -8.720 112 HB3 SER 16 HB3 SER 16 -20.765 -5.662 -7.489 113 HG SER 16 HG SER 16 -23.471 -6.339 -6.860 114 H ILE 17 H ILE 17 -19.947 -3.370 -7.804 115 HA ILE 17 HA ILE 17 -18.478 -3.513 -5.470 116 HB ILE 17 HB ILE 17 -17.776 -3.212 -7.925 117 HG12 ILE 17 HG12 ILE 17 -15.706 -1.787 -6.984 118 HG13 ILE 17 HG13 ILE 17 -16.453 -2.196 -5.453 119 HG21 ILE 17 HG21 ILE 17 -18.231 -0.340 -7.107 120 HG22 ILE 17 HG22 ILE 17 -17.110 -0.809 -8.407 121 HG23 ILE 17 HG23 ILE 17 -18.841 -1.199 -8.541 122 HD11 ILE 17 HD11 ILE 17 -14.978 -4.007 -5.857 123 HD12 ILE 17 HD12 ILE 17 -16.560 -4.640 -6.372 124 HD13 ILE 17 HD13 ILE 17 -15.390 -4.073 -7.588 125 H PHE 18 H PHE 18 -20.467 -0.831 -6.828 126 HA PHE 18 HA PHE 18 -19.735 1.147 -5.074 127 HB2 PHE 18 HB2 PHE 18 -21.781 0.501 -7.014 128 HB3 PHE 18 HB3 PHE 18 -22.627 1.080 -5.593 129 HD1 PHE 18 HD2 PHE 18 -19.790 2.006 -7.831 130 HD2 PHE 18 HD1 PHE 18 -22.924 3.359 -5.310 131 HE1 PHE 18 HE2 PHE 18 -19.316 4.374 -8.513 132 HE2 PHE 18 HE1 PHE 18 -22.450 5.728 -5.992 133 HZ PHE 18 HZ PHE 18 -20.652 6.207 -7.586 134 H GLY 19 H GLY 19 -21.894 -1.658 -4.592 135 HA2 GLY 19 HA2 GLY 19 -22.824 -0.636 -2.025 136 HA3 GLY 19 HA3 GLY 19 -23.321 -2.108 -2.836 137 H TYR 20 H TYR 20 -20.261 -2.629 -3.368 138 HA TYR 20 HA TYR 20 -18.742 -3.972 -2.460 139 HB2 TYR 20 HB2 TYR 20 -18.629 -1.611 -1.216 140 HB3 TYR 20 HB3 TYR 20 -19.344 -2.458 0.141 141 HD1 TYR 20 HD1 TYR 20 -18.068 -4.764 0.752 142 HD2 TYR 20 HD2 TYR 20 -16.319 -1.415 -1.255 143 HE1 TYR 20 HE1 TYR 20 -15.755 -5.520 1.490 144 HE2 TYR 20 HE2 TYR 20 -14.012 -2.182 -0.510 145 HH TYR 20 HH TYR 20 -13.601 -4.621 1.855 146 H LYS 21 H LYS 21 -19.590 -6.044 -2.390 147 HA LYS 21 HA LYS 21 -20.397 -6.946 0.225 148 HB2 LYS 21 HB2 LYS 21 -22.375 -6.325 -1.761 149 HB3 LYS 21 HB3 LYS 21 -22.339 -8.062 -1.533 150 HG2 LYS 21 HG2 LYS 21 -22.187 -6.466 0.985 151 HG3 LYS 21 HG3 LYS 21 -23.694 -6.308 0.105 152 HD2 LYS 21 HD2 LYS 21 -23.342 -9.030 -0.030 153 HD3 LYS 21 HD3 LYS 21 -22.547 -8.694 1.495 154 HE2 LYS 21 HE2 LYS 21 -24.738 -7.232 1.962 155 HE3 LYS 21 HE3 LYS 21 -25.441 -8.260 0.730 156 HZ1 LYS 21 HZ1 LYS 21 -25.415 -8.968 3.207 157 HZ2 LYS 21 HZ2 LYS 21 -25.220 -10.084 2.030 158 HZ3 LYS 21 HZ3 LYS 21 -23.923 -9.528 2.851 159 H ARG 22 H ARG 22 -21.070 -9.520 -0.244 160 HA ARG 22 HA ARG 22 -20.409 -11.469 -0.944 161 HB2 ARG 22 HB2 ARG 22 -19.892 -9.917 -3.234 162 HB3 ARG 22 HB3 ARG 22 -18.362 -10.722 -2.946 163 HG2 ARG 22 HG2 ARG 22 -20.727 -12.501 -2.655 164 HG3 ARG 22 HG3 ARG 22 -20.529 -11.845 -4.268 165 HD2 ARG 22 HD2 ARG 22 -18.775 -13.230 -4.691 166 HD3 ARG 22 HD3 ARG 22 -17.935 -12.697 -3.249 167 HE ARG 22 HE ARG 22 -20.138 -14.520 -2.646 168 HH11 ARG 22 HH22 ARG 22 -16.758 -14.341 -3.609 169 HH12 ARG 22 HH21 ARG 22 -16.369 -15.917 -3.005 170 HH21 ARG 22 HH12 ARG 22 -19.626 -16.600 -1.849 171 HH22 ARG 22 HH11 ARG 22 -18.012 -17.211 -1.997 172 H ARG 23 H ARG 23 -17.435 -9.505 -1.699 173 HA ARG 23 HA ARG 23 -16.205 -10.016 0.721 174 HB2 ARG 23 HB2 ARG 23 -16.150 -12.278 -1.008 175 HB3 ARG 23 HB3 ARG 23 -14.551 -11.573 -1.136 176 HG2 ARG 23 HG2 ARG 23 -13.978 -12.316 0.931 177 HG3 ARG 23 HG3 ARG 23 -15.387 -11.565 1.653 178 HD2 ARG 23 HD2 ARG 23 -16.709 -13.499 1.440 179 HD3 ARG 23 HD3 ARG 23 -15.796 -14.106 0.073 180 HE ARG 23 HE ARG 23 -15.166 -14.501 2.907 181 HH11 ARG 23 HH22 ARG 23 -13.858 -14.482 -0.360 182 HH12 ARG 23 HH21 ARG 23 -12.521 -15.511 0.032 183 HH21 ARG 23 HH12 ARG 23 -13.403 -15.859 3.425 184 HH22 ARG 23 HH11 ARG 23 -12.260 -16.299 2.200 185 H GLY 24 H GLY 24 -13.765 -9.397 0.587 186 HA2 GLY 24 HA2 GLY 24 -13.476 -7.331 -1.488 187 HA3 GLY 24 HA3 GLY 24 -12.670 -7.377 0.067 188 H GLY 25 H GLY 25 -11.767 -10.090 0.127 189 HA2 GLY 25 HA2 GLY 25 -10.221 -11.507 -0.726 190 HA3 GLY 25 HA3 GLY 25 -10.365 -10.727 -2.289 191 H VAL 26 H VAL 26 -8.020 -10.809 -2.523 192 HA VAL 26 HA VAL 26 -5.906 -10.177 -2.147 193 HB VAL 26 HB VAL 26 -5.862 -7.541 -1.956 194 HG11 VAL 26 HG11 VAL 26 -7.019 -8.050 -4.536 195 HG12 VAL 26 HG12 VAL 26 -5.312 -7.798 -4.101 196 HG13 VAL 26 HG13 VAL 26 -6.006 -9.436 -4.067 197 HG21 VAL 26 HG21 VAL 26 -8.175 -7.245 -1.276 198 HG22 VAL 26 HG22 VAL 26 -7.935 -6.548 -2.896 199 HG23 VAL 26 HG23 VAL 26 -8.745 -8.123 -2.716 200 HA PRO 27 HA PRO 27 -5.968 -10.049 2.319 201 HB2 PRO 27 HB2 PRO 27 -4.133 -12.035 2.717 202 HB3 PRO 27 HB3 PRO 27 -5.859 -12.326 2.646 203 HG2 PRO 27 HG2 PRO 27 -3.798 -12.901 0.607 204 HG3 PRO 27 HG3 PRO 27 -5.419 -13.552 0.743 205 HD2 PRO 27 HD2 PRO 27 -4.530 -11.525 -1.082 206 HD3 PRO 27 HD3 PRO 27 -6.174 -12.093 -0.866 207 H SER 28 H SER 28 -4.460 -9.361 3.966 208 HA SER 28 HA SER 28 -2.668 -8.321 4.653 209 HB2 SER 28 HB2 SER 28 -1.607 -9.844 2.516 210 HB3 SER 28 HB3 SER 28 -0.998 -8.222 2.252 211 HG SER 28 HG SER 28 0.221 -9.802 3.753 212 H LEU 29 H LEU 29 -3.122 -7.584 1.113 213 HA LEU 29 HA LEU 29 -2.362 -5.008 1.044 214 HB2 LEU 29 HB2 LEU 29 -3.683 -6.742 -0.615 215 HB3 LEU 29 HB3 LEU 29 -4.894 -5.502 -0.359 216 HG LEU 29 HG LEU 29 -3.729 -4.895 -2.317 217 HD11 LEU 29 HD11 LEU 29 -2.218 -2.884 -1.282 218 HD12 LEU 29 HD12 LEU 29 -3.989 -2.839 -1.451 219 HD13 LEU 29 HD13 LEU 29 -3.255 -3.284 0.108 220 HD21 LEU 29 HD21 LEU 29 -1.231 -4.607 -2.352 221 HD22 LEU 29 HD22 LEU 29 -1.181 -5.442 -0.781 222 HD23 LEU 29 HD23 LEU 29 -1.802 -6.288 -2.219 223 H ILE 30 H ILE 30 -5.587 -6.239 2.139 224 HA ILE 30 HA ILE 30 -6.824 -3.855 2.587 225 HB ILE 30 HB ILE 30 -6.952 -6.447 4.123 226 HG12 ILE 30 HG12 ILE 30 -8.908 -5.360 2.092 227 HG13 ILE 30 HG13 ILE 30 -7.532 -6.341 1.628 228 HG21 ILE 30 HG21 ILE 30 -8.884 -5.732 5.235 229 HG22 ILE 30 HG22 ILE 30 -7.751 -4.369 5.393 230 HG23 ILE 30 HG23 ILE 30 -9.066 -4.298 4.196 231 HD11 ILE 30 HD11 ILE 30 -9.609 -7.698 1.972 232 HD12 ILE 30 HD12 ILE 30 -8.295 -8.186 3.069 233 HD13 ILE 30 HD13 ILE 30 -9.636 -7.184 3.675 234 H ALA 31 H ALA 31 -4.669 -5.666 4.878 235 HA ALA 31 HA ALA 31 -4.796 -3.821 6.938 236 HB1 ALA 31 HB1 ALA 31 -3.797 -5.762 7.624 237 HB2 ALA 31 HB2 ALA 31 -2.992 -6.027 6.059 238 HB3 ALA 31 HB3 ALA 31 -2.312 -4.865 7.224 239 H GLY 32 H GLY 32 -2.856 -3.898 3.929 240 HA2 GLY 32 HA2 GLY 32 -1.056 -1.834 4.628 241 HA3 GLY 32 HA3 GLY 32 -1.443 -2.403 3.016 242 H LEU 33 H LEU 33 -4.405 -1.893 3.385 243 HA LEU 33 HA LEU 33 -4.325 0.852 2.570 244 HB2 LEU 33 HB2 LEU 33 -6.019 -1.417 2.222 245 HB3 LEU 33 HB3 LEU 33 -6.983 -0.114 2.889 246 HG LEU 33 HG LEU 33 -5.217 0.249 0.461 247 HD11 LEU 33 HD11 LEU 33 -8.157 -0.084 0.130 248 HD12 LEU 33 HD12 LEU 33 -6.818 -0.490 -0.971 249 HD13 LEU 33 HD13 LEU 33 -7.187 -1.551 0.410 250 HD21 LEU 33 HD21 LEU 33 -5.711 2.368 1.217 251 HD22 LEU 33 HD22 LEU 33 -7.058 2.069 0.092 252 HD23 LEU 33 HD23 LEU 33 -7.308 1.894 1.846 253 H PHE 34 H PHE 34 -5.252 -1.042 5.451 254 HA PHE 34 HA PHE 34 -6.682 1.001 6.725 255 HB2 PHE 34 HB2 PHE 34 -5.341 -1.621 7.309 256 HB3 PHE 34 HB3 PHE 34 -5.483 -0.578 8.710 257 HD1 PHE 34 HD1 PHE 34 -7.558 -1.933 5.921 258 HD2 PHE 34 HD2 PHE 34 -7.427 -0.647 9.963 259 HE1 PHE 34 HE1 PHE 34 -9.935 -2.676 6.235 260 HE2 PHE 34 HE2 PHE 34 -9.804 -1.389 10.276 261 HZ PHE 34 HZ PHE 34 -11.030 -2.395 8.409 262 H VAL 35 H VAL 35 -3.268 -0.163 7.226 263 HA VAL 35 HA VAL 35 -2.650 1.965 8.976 264 HB VAL 35 HB VAL 35 -0.964 0.010 7.406 265 HG11 VAL 35 HG11 VAL 35 0.370 2.000 7.886 266 HG12 VAL 35 HG12 VAL 35 -0.111 1.932 9.599 267 HG13 VAL 35 HG13 VAL 35 0.895 0.638 8.905 268 HG21 VAL 35 HG21 VAL 35 -2.316 -1.123 9.023 269 HG22 VAL 35 HG22 VAL 35 -0.670 -1.017 9.692 270 HG23 VAL 35 HG23 VAL 35 -1.941 0.084 10.276 271 H GLY 36 H GLY 36 -1.916 1.308 5.484 272 HA2 GLY 36 HA2 GLY 36 -0.426 3.543 4.909 273 HA3 GLY 36 HA3 GLY 36 -1.494 2.723 3.787 274 H CYS 37 H CYS 37 -4.040 3.181 4.630 275 HA CYS 37 HA CYS 37 -4.518 5.771 3.823 276 HB2 CYS 37 HB2 CYS 37 -6.157 3.900 3.728 277 HB3 CYS 37 HB3 CYS 37 -6.349 3.993 5.468 278 HG CYS 37 HG CYS 37 -8.129 5.545 5.357 279 H LEU 38 H LEU 38 -4.285 4.272 7.106 280 HA LEU 38 HA LEU 38 -5.119 6.328 8.667 281 HB2 LEU 38 HB2 LEU 38 -4.272 3.967 9.236 282 HB3 LEU 38 HB3 LEU 38 -2.681 4.697 9.329 283 HG LEU 38 HG LEU 38 -3.763 6.356 11.004 284 HD11 LEU 38 HD11 LEU 38 -6.099 5.321 10.335 285 HD12 LEU 38 HD12 LEU 38 -5.688 4.151 11.612 286 HD13 LEU 38 HD13 LEU 38 -5.773 5.889 11.990 287 HD21 LEU 38 HD21 LEU 38 -3.629 4.414 12.812 288 HD22 LEU 38 HD22 LEU 38 -2.931 3.525 11.437 289 HD23 LEU 38 HD23 LEU 38 -2.182 5.043 11.987 290 H ALA 39 H ALA 39 -1.642 5.779 7.745 291 HA ALA 39 HA ALA 39 -0.791 8.269 8.652 292 HB1 ALA 39 HB1 ALA 39 0.501 6.801 6.349 293 HB2 ALA 39 HB2 ALA 39 1.266 7.672 7.700 294 HB3 ALA 39 HB3 ALA 39 0.497 6.092 7.982 295 H GLY 40 H GLY 40 -0.994 7.253 5.169 296 HA2 GLY 40 HA2 GLY 40 -0.764 9.576 3.898 297 HA3 GLY 40 HA3 GLY 40 -1.921 8.355 3.405 298 H TYR 41 H TYR 41 -4.149 8.427 4.412 299 HA TYR 41 HA TYR 41 -5.481 10.682 3.996 300 HB2 TYR 41 HB2 TYR 41 -6.162 8.279 4.859 301 HB3 TYR 41 HB3 TYR 41 -5.906 8.910 6.473 302 HD1 TYR 41 HD2 TYR 41 -7.926 9.401 3.379 303 HD2 TYR 41 HD1 TYR 41 -7.592 10.152 7.577 304 HE1 TYR 41 HE2 TYR 41 -10.306 10.295 3.415 305 HE2 TYR 41 HE1 TYR 41 -9.973 11.043 7.599 306 HH TYR 41 HH TYR 41 -12.038 10.739 4.805 307 H GLY 42 H GLY 42 -4.224 9.775 7.290 308 HA2 GLY 42 HA2 GLY 42 -4.965 11.970 8.708 309 HA3 GLY 42 HA3 GLY 42 -3.478 11.082 8.971 310 H ALA 43 H ALA 43 -1.848 11.606 6.859 311 HA ALA 43 HA ALA 43 -0.850 14.111 7.384 312 HB1 ALA 43 HB1 ALA 43 -0.548 12.111 5.147 313 HB2 ALA 43 HB2 ALA 43 0.251 13.697 5.028 314 HB3 ALA 43 HB3 ALA 43 0.629 12.609 6.385 315 H TYR 44 H TYR 44 -3.272 13.035 4.963 316 HA TYR 44 HA TYR 44 -3.337 15.531 3.604 317 HB2 TYR 44 HB2 TYR 44 -4.068 13.041 2.982 318 HB3 TYR 44 HB3 TYR 44 -5.538 13.408 3.863 319 HD1 TYR 44 HD2 TYR 44 -3.415 15.003 1.198 320 HD2 TYR 44 HD1 TYR 44 -7.354 14.094 2.601 321 HE1 TYR 44 HE2 TYR 44 -4.411 16.057 -0.890 322 HE2 TYR 44 HE1 TYR 44 -8.336 15.152 0.508 323 HH TYR 44 HH TYR 44 -7.922 16.036 -1.422 324 H ARG 45 H ARG 45 -4.938 14.150 6.462 325 HA ARG 45 HA ARG 45 -6.981 16.119 6.435 326 HB2 ARG 45 HB2 ARG 45 -6.839 13.658 7.545 327 HB3 ARG 45 HB3 ARG 45 -6.279 14.572 8.931 328 HG2 ARG 45 HG2 ARG 45 -8.647 14.452 9.206 329 HG3 ARG 45 HG3 ARG 45 -8.351 16.077 8.622 330 HD2 ARG 45 HD2 ARG 45 -8.855 15.286 6.272 331 HD3 ARG 45 HD3 ARG 45 -9.236 13.700 6.913 332 HE ARG 45 HE ARG 45 -10.722 15.846 8.237 333 HH11 ARG 45 HH22 ARG 45 -10.677 13.663 5.478 334 HH12 ARG 45 HH21 ARG 45 -12.391 13.731 5.234 335 HH21 ARG 45 HH12 ARG 45 -12.982 15.936 7.916 336 HH22 ARG 45 HH11 ARG 45 -13.711 15.033 6.630 337 H VAL 46 H VAL 46 -4.344 15.303 8.823 338 HA VAL 46 HA VAL 46 -3.203 17.793 8.942 339 HB VAL 46 HB VAL 46 -4.344 18.249 11.353 340 HG11 VAL 46 HG11 VAL 46 -4.690 20.235 10.392 341 HG12 VAL 46 HG12 VAL 46 -4.203 19.502 8.845 342 HG13 VAL 46 HG13 VAL 46 -5.923 19.560 9.300 343 HG21 VAL 46 HG21 VAL 46 -6.024 16.338 10.524 344 HG22 VAL 46 HG22 VAL 46 -6.561 17.722 11.506 345 HG23 VAL 46 HG23 VAL 46 -6.804 17.735 9.743 346 H SER 47 H SER 47 -1.259 17.424 9.892 347 HA SER 47 HA SER 47 0.267 16.590 11.201 348 HB2 SER 47 HB2 SER 47 -1.289 14.888 13.006 349 HB3 SER 47 HB3 SER 47 -0.275 16.267 13.380 350 HG SER 47 HG SER 47 -2.013 17.685 12.957 351 H ASN 48 H ASN 48 0.666 14.060 12.400 352 HA ASN 48 HA ASN 48 0.978 11.940 12.015 353 HB2 ASN 48 HB2 ASN 48 -0.861 12.021 9.579 354 HB3 ASN 48 HB3 ASN 48 -0.479 10.633 10.580 355 HD21 ASN 48 HD21 ASN 48 -2.624 13.134 9.984 356 HD22 ASN 48 HD22 ASN 48 -3.593 13.061 11.418 357 H ASP 49 H ASP 49 3.170 12.682 11.327 358 HA ASP 49 HA ASP 49 4.874 12.412 9.979 359 HB2 ASP 49 HB2 ASP 49 3.072 11.958 7.575 360 HB3 ASP 49 HB3 ASP 49 4.719 11.406 7.804 361 H LYS 50 H LYS 50 2.071 13.773 8.074 362 HA LYS 50 HA LYS 50 1.726 15.794 7.225 363 HB2 LYS 50 HB2 LYS 50 3.227 16.430 9.383 364 HB3 LYS 50 HB3 LYS 50 4.290 17.006 8.115 365 HG2 LYS 50 HG2 LYS 50 2.194 18.177 7.113 366 HG3 LYS 50 HG3 LYS 50 1.404 17.829 8.638 367 HD2 LYS 50 HD2 LYS 50 2.745 19.312 9.844 368 HD3 LYS 50 HD3 LYS 50 4.121 19.113 8.777 369 HE2 LYS 50 HE2 LYS 50 3.519 21.131 7.898 370 HE3 LYS 50 HE3 LYS 50 2.258 20.248 7.061 371 HZ1 LYS 50 HZ1 LYS 50 1.127 21.869 8.189 372 HZ2 LYS 50 HZ2 LYS 50 0.966 20.608 9.215 373 HZ3 LYS 50 HZ3 LYS 50 2.055 21.783 9.530 374 H ARG 51 H ARG 51 2.278 14.068 5.421 375 HA ARG 51 HA ARG 51 3.594 15.459 3.454 376 HB2 ARG 51 HB2 ARG 51 5.529 14.403 5.038 377 HB3 ARG 51 HB3 ARG 51 5.234 12.995 4.037 378 HG2 ARG 51 HG2 ARG 51 7.030 14.401 3.068 379 HG3 ARG 51 HG3 ARG 51 5.654 14.320 1.986 380 HD2 ARG 51 HD2 ARG 51 5.332 16.572 2.095 381 HD3 ARG 51 HD3 ARG 51 5.330 16.552 3.848 382 HE ARG 51 HE ARG 51 7.608 17.162 2.111 383 HH11 ARG 51 HH22 ARG 51 6.641 16.089 5.319 384 HH12 ARG 51 HH21 ARG 51 8.118 16.592 6.072 385 HH21 ARG 51 HH12 ARG 51 9.557 17.826 3.104 386 HH22 ARG 51 HH11 ARG 51 9.787 17.587 4.803 387 H ASP 52 H ASP 52 3.027 14.552 1.428 388 HA ASP 52 HA ASP 52 1.794 11.915 1.609 389 HB2 ASP 52 HB2 ASP 52 0.943 14.461 0.228 390 HB3 ASP 52 HB3 ASP 52 0.535 12.940 -0.540 391 H VAL 53 H VAL 53 4.205 11.365 1.050 392 HA VAL 53 HA VAL 53 4.406 10.645 -1.616 393 HB VAL 53 HB VAL 53 4.698 12.887 -2.250 394 HG11 VAL 53 HG11 VAL 53 5.171 13.667 0.139 395 HG12 VAL 53 HG12 VAL 53 6.880 13.296 -0.193 396 HG13 VAL 53 HG13 VAL 53 6.028 14.517 -1.169 397 HG21 VAL 53 HG21 VAL 53 6.422 12.390 -3.573 398 HG22 VAL 53 HG22 VAL 53 7.564 12.593 -2.224 399 HG23 VAL 53 HG23 VAL 53 6.801 11.012 -2.513 400 H LYS 54 H LYS 54 6.107 11.660 1.388 401 HA LYS 54 HA LYS 54 8.130 9.633 0.934 402 HB2 LYS 54 HB2 LYS 54 8.100 12.140 2.177 403 HB3 LYS 54 HB3 LYS 54 8.218 11.002 3.504 404 HG2 LYS 54 HG2 LYS 54 9.991 9.910 1.657 405 HG3 LYS 54 HG3 LYS 54 10.190 11.628 1.373 406 HD2 LYS 54 HD2 LYS 54 10.087 11.231 4.226 407 HD3 LYS 54 HD3 LYS 54 11.198 10.045 3.571 408 HE2 LYS 54 HE2 LYS 54 12.243 12.019 2.225 409 HE3 LYS 54 HE3 LYS 54 11.324 13.073 3.281 410 HZ1 LYS 54 HZ1 LYS 54 12.389 11.778 5.140 411 HZ2 LYS 54 HZ2 LYS 54 13.426 11.182 4.028 412 HZ3 LYS 54 HZ3 LYS 54 13.363 12.790 4.307 413 H VAL 55 H VAL 55 5.433 10.412 3.210 414 HA VAL 55 HA VAL 55 5.682 8.459 5.035 415 HB VAL 55 HB VAL 55 3.163 8.425 5.052 416 HG11 VAL 55 HG11 VAL 55 4.888 10.852 5.284 417 HG12 VAL 55 HG12 VAL 55 3.124 11.078 5.372 418 HG13 VAL 55 HG13 VAL 55 3.941 9.993 6.523 419 HG21 VAL 55 HG21 VAL 55 2.085 10.217 3.611 420 HG22 VAL 55 HG22 VAL 55 3.582 10.221 2.648 421 HG23 VAL 55 HG23 VAL 55 2.600 8.741 2.761 422 H SER 56 H SER 56 4.158 8.087 1.762 423 HA SER 56 HA SER 56 3.402 5.518 1.943 424 HB2 SER 56 HB2 SER 56 4.627 7.022 -0.403 425 HB3 SER 56 HB3 SER 56 3.935 5.421 -0.577 426 HG SER 56 HG SER 56 2.105 6.502 -0.885 427 H LEU 57 H LEU 57 6.680 6.760 0.994 428 HA LEU 57 HA LEU 57 7.846 4.286 0.540 429 HB2 LEU 57 HB2 LEU 57 8.589 6.968 0.486 430 HB3 LEU 57 HB3 LEU 57 9.654 6.256 1.682 431 HG LEU 57 HG LEU 57 9.298 5.137 -1.110 432 HD11 LEU 57 HD11 LEU 57 10.463 7.578 -0.494 433 HD12 LEU 57 HD12 LEU 57 11.842 6.456 -0.583 434 HD13 LEU 57 HD13 LEU 57 10.730 6.612 -1.964 435 HD21 LEU 57 HD21 LEU 57 10.468 3.413 -0.355 436 HD22 LEU 57 HD22 LEU 57 11.823 4.511 -0.001 437 HD23 LEU 57 HD23 LEU 57 10.607 4.167 1.252 438 H PHE 58 H PHE 58 7.289 6.141 3.557 439 HA PHE 58 HA PHE 58 8.885 4.447 5.159 440 HB2 PHE 58 HB2 PHE 58 6.949 6.711 5.356 441 HB3 PHE 58 HB3 PHE 58 6.859 5.640 6.739 442 HD1 PHE 58 HD1 PHE 58 9.155 5.054 7.865 443 HD2 PHE 58 HD2 PHE 58 8.524 8.411 5.347 444 HE1 PHE 58 HE1 PHE 58 11.155 6.186 8.874 445 HE2 PHE 58 HE2 PHE 58 10.524 9.543 6.356 446 HZ PHE 58 HZ PHE 58 11.816 8.418 8.107 447 H THR 59 H THR 59 5.618 4.255 3.852 448 HA THR 59 HA THR 59 4.647 2.423 5.825 449 HB THR 59 HB THR 59 3.716 3.431 3.097 450 HG1 THR 59 HG1 THR 59 3.339 4.899 4.788 451 HG21 THR 59 HG21 THR 59 1.763 2.138 3.223 452 HG22 THR 59 HG22 THR 59 2.934 0.969 3.880 453 HG23 THR 59 HG23 THR 59 1.907 1.916 4.983 454 H ALA 60 H ALA 60 5.876 2.115 2.434 455 HA ALA 60 HA ALA 60 5.568 -0.669 2.350 456 HB1 ALA 60 HB1 ALA 60 7.740 0.157 0.689 457 HB2 ALA 60 HB2 ALA 60 6.056 -0.171 0.216 458 HB3 ALA 60 HB3 ALA 60 6.541 1.473 0.694 459 H PHE 61 H PHE 61 8.240 1.495 3.415 460 HA PHE 61 HA PHE 61 10.169 -0.488 3.709 461 HB2 PHE 61 HB2 PHE 61 10.143 2.184 3.845 462 HB3 PHE 61 HB3 PHE 61 9.784 1.932 5.542 463 HD1 PHE 61 HD2 PHE 61 12.312 1.386 2.914 464 HD2 PHE 61 HD1 PHE 61 11.480 1.253 7.073 465 HE1 PHE 61 HE2 PHE 61 14.762 1.134 3.396 466 HE2 PHE 61 HE1 PHE 61 13.931 1.001 7.555 467 HZ PHE 61 HZ PHE 61 15.542 0.944 5.710 468 H PHE 62 H PHE 62 7.926 0.982 6.168 469 HA PHE 62 HA PHE 62 8.767 -0.611 8.279 470 HB2 PHE 62 HB2 PHE 62 6.484 1.146 7.464 471 HB3 PHE 62 HB3 PHE 62 6.028 -0.054 8.657 472 HD1 PHE 62 HD1 PHE 62 8.093 -0.262 10.537 473 HD2 PHE 62 HD2 PHE 62 6.903 3.202 8.393 474 HE1 PHE 62 HE1 PHE 62 9.036 1.188 12.356 475 HE2 PHE 62 HE2 PHE 62 7.846 4.652 10.212 476 HZ PHE 62 HZ PHE 62 8.901 3.628 12.172 477 H LEU 63 H LEU 63 6.480 -1.219 5.610 478 HA LEU 63 HA LEU 63 5.159 -3.394 6.781 479 HB2 LEU 63 HB2 LEU 63 5.055 -1.928 4.405 480 HB3 LEU 63 HB3 LEU 63 5.425 -3.564 3.899 481 HG LEU 63 HG LEU 63 3.021 -3.130 3.882 482 HD11 LEU 63 HD11 LEU 63 2.474 -5.007 5.731 483 HD12 LEU 63 HD12 LEU 63 3.204 -5.367 4.148 484 HD13 LEU 63 HD13 LEU 63 4.235 -5.228 5.592 485 HD21 LEU 63 HD21 LEU 63 1.753 -2.717 5.907 486 HD22 LEU 63 HD22 LEU 63 3.245 -2.728 6.878 487 HD23 LEU 63 HD23 LEU 63 2.973 -1.441 5.679 488 H ALA 64 H ALA 64 7.762 -3.404 4.237 489 HA ALA 64 HA ALA 64 8.260 -6.088 4.274 490 HB1 ALA 64 HB1 ALA 64 9.741 -5.398 2.735 491 HB2 ALA 64 HB2 ALA 64 9.419 -3.715 3.215 492 HB3 ALA 64 HB3 ALA 64 10.734 -4.626 3.995 493 H THR 65 H THR 65 9.894 -3.521 6.264 494 HA THR 65 HA THR 65 11.514 -5.256 7.712 495 HB THR 65 HB THR 65 11.678 -3.298 9.254 496 HG1 THR 65 HG1 THR 65 9.877 -2.006 9.321 497 HG21 THR 65 HG21 THR 65 11.512 -1.482 7.136 498 HG22 THR 65 HG22 THR 65 12.953 -2.445 7.540 499 HG23 THR 65 HG23 THR 65 11.814 -3.026 6.302 500 H ILE 66 H ILE 66 8.061 -4.508 8.023 501 HA ILE 66 HA ILE 66 7.871 -5.627 10.641 502 HB ILE 66 HB ILE 66 6.004 -4.549 8.585 503 HG12 ILE 66 HG12 ILE 66 6.119 -4.004 11.554 504 HG13 ILE 66 HG13 ILE 66 7.214 -3.225 10.429 505 HG21 ILE 66 HG21 ILE 66 4.078 -5.212 10.060 506 HG22 ILE 66 HG22 ILE 66 4.824 -6.540 9.138 507 HG23 ILE 66 HG23 ILE 66 5.179 -6.350 10.872 508 HD11 ILE 66 HD11 ILE 66 4.169 -3.078 10.434 509 HD12 ILE 66 HD12 ILE 66 5.322 -1.749 10.706 510 HD13 ILE 66 HD13 ILE 66 5.169 -2.478 9.089 511 H MET 67 H MET 67 7.757 -6.800 7.299 512 HA MET 67 HA MET 67 6.636 -9.305 8.141 513 HB2 MET 67 HB2 MET 67 6.509 -7.882 5.804 514 HB3 MET 67 HB3 MET 67 7.874 -8.911 5.415 515 HG2 MET 67 HG2 MET 67 5.430 -10.215 6.616 516 HG3 MET 67 HG3 MET 67 5.339 -9.691 4.946 517 HE1 MET 67 HE1 MET 67 6.015 -12.897 3.612 518 HE2 MET 67 HE2 MET 67 5.301 -13.141 5.225 519 HE3 MET 67 HE3 MET 67 4.814 -11.742 4.238 520 H GLY 68 H GLY 68 9.630 -8.372 6.285 521 HA2 GLY 68 HA2 GLY 68 11.746 -9.068 7.402 522 HA3 GLY 68 HA3 GLY 68 11.000 -10.641 7.602 523 H VAL 69 H VAL 69 10.777 -8.397 4.771 524 HA VAL 69 HA VAL 69 11.828 -10.582 3.131 525 HB VAL 69 HB VAL 69 9.691 -9.921 2.421 526 HG11 VAL 69 HG11 VAL 69 9.025 -7.951 3.337 527 HG12 VAL 69 HG12 VAL 69 10.620 -7.187 3.133 528 HG13 VAL 69 HG13 VAL 69 9.509 -7.314 1.747 529 HG21 VAL 69 HG21 VAL 69 10.194 -9.758 0.241 530 HG22 VAL 69 HG22 VAL 69 10.982 -8.176 0.450 531 HG23 VAL 69 HG23 VAL 69 11.894 -9.672 0.762 532 H ARG 70 H ARG 70 14.001 -10.478 2.862 533 HA ARG 70 HA ARG 70 15.272 -7.930 3.014 534 HB2 ARG 70 HB2 ARG 70 16.028 -10.679 3.394 535 HB3 ARG 70 HB3 ARG 70 17.055 -10.047 2.122 536 HG2 ARG 70 HG2 ARG 70 17.506 -8.025 3.658 537 HG3 ARG 70 HG3 ARG 70 16.700 -8.917 4.933 538 HD2 ARG 70 HD2 ARG 70 18.646 -10.001 5.365 539 HD3 ARG 70 HD3 ARG 70 18.558 -10.749 3.783 540 HE ARG 70 HE ARG 70 19.590 -8.018 3.670 541 HH11 ARG 70 HH22 ARG 70 20.459 -11.382 4.231 542 HH12 ARG 70 HH21 ARG 70 22.123 -11.156 3.805 543 HH21 ARG 70 HH12 ARG 70 21.785 -7.720 3.108 544 HH22 ARG 70 HH11 ARG 70 22.882 -9.059 3.162 545 H PHE 71 H PHE 71 14.387 -6.879 1.087 546 HA PHE 71 HA PHE 71 14.127 -6.485 -1.092 547 HB2 PHE 71 HB2 PHE 71 17.041 -7.149 -0.530 548 HB3 PHE 71 HB3 PHE 71 16.599 -6.838 -2.196 549 HD1 PHE 71 HD2 PHE 71 15.623 -4.611 -2.809 550 HD2 PHE 71 HD1 PHE 71 17.271 -5.372 1.026 551 HE1 PHE 71 HE2 PHE 71 15.811 -2.142 -2.400 552 HE2 PHE 71 HE1 PHE 71 17.459 -2.903 1.435 553 HZ PHE 71 HZ PHE 71 16.727 -1.317 -0.283 554 H LYS 72 H LYS 72 12.680 -8.173 -1.748 555 HA LYS 72 HA LYS 72 12.034 -9.853 -3.025 556 HB2 LYS 72 HB2 LYS 72 13.319 -8.901 -4.802 557 HB3 LYS 72 HB3 LYS 72 14.820 -9.540 -4.164 558 HG2 LYS 72 HG2 LYS 72 12.975 -11.744 -4.494 559 HG3 LYS 72 HG3 LYS 72 12.974 -10.807 -5.975 560 HD2 LYS 72 HD2 LYS 72 15.521 -11.758 -4.584 561 HD3 LYS 72 HD3 LYS 72 14.737 -12.644 -5.876 562 HE2 LYS 72 HE2 LYS 72 15.348 -11.100 -7.509 563 HE3 LYS 72 HE3 LYS 72 15.298 -9.741 -6.404 564 HZ1 LYS 72 HZ1 LYS 72 17.496 -11.271 -7.143 565 HZ2 LYS 72 HZ2 LYS 72 17.460 -9.956 -6.176 566 HZ3 LYS 72 HZ3 LYS 72 17.288 -11.447 -5.533 567 H ARG 73 H ARG 73 11.598 -11.910 -2.403 568 HA ARG 73 HA ARG 73 13.705 -13.201 -0.870 569 HB2 ARG 73 HB2 ARG 73 11.192 -12.617 -0.012 570 HB3 ARG 73 HB3 ARG 73 10.855 -14.173 -0.746 571 HG2 ARG 73 HG2 ARG 73 13.206 -13.861 1.149 572 HG3 ARG 73 HG3 ARG 73 11.587 -14.073 1.785 573 HD2 ARG 73 HD2 ARG 73 11.640 -16.304 1.349 574 HD3 ARG 73 HD3 ARG 73 12.035 -16.017 -0.334 575 HE ARG 73 HE ARG 73 14.296 -15.664 1.520 576 HH11 ARG 73 HH22 ARG 73 12.552 -17.894 -0.570 577 HH12 ARG 73 HH21 ARG 73 13.890 -18.980 -0.742 578 HH21 ARG 73 HH12 ARG 73 16.062 -17.096 1.293 579 HH22 ARG 73 HH11 ARG 73 15.900 -18.523 0.325 580 H SER 74 H SER 74 10.882 -13.922 -3.059 581 HA SER 74 HA SER 74 12.069 -16.448 -3.717 582 HB2 SER 74 HB2 SER 74 9.459 -15.060 -4.363 583 HB3 SER 74 HB3 SER 74 9.956 -16.443 -5.317 584 HG SER 74 HG SER 74 9.912 -16.542 -2.434 585 H LYS 75 H LYS 75 12.290 -17.078 -6.106 586 HA LYS 75 HA LYS 75 14.084 -15.475 -7.388 587 HB2 LYS 75 HB2 LYS 75 12.740 -17.935 -7.865 588 HB3 LYS 75 HB3 LYS 75 12.595 -16.985 -9.330 589 HG2 LYS 75 HG2 LYS 75 15.136 -16.495 -9.075 590 HG3 LYS 75 HG3 LYS 75 15.151 -17.768 -7.871 591 HD2 LYS 75 HD2 LYS 75 14.644 -19.455 -9.438 592 HD3 LYS 75 HD3 LYS 75 13.880 -18.340 -10.553 593 HE2 LYS 75 HE2 LYS 75 16.618 -17.497 -10.242 594 HE3 LYS 75 HE3 LYS 75 16.633 -19.230 -10.506 595 HZ1 LYS 75 HZ1 LYS 75 15.054 -18.737 -12.386 596 HZ2 LYS 75 HZ2 LYS 75 15.477 -17.168 -12.227 597 HZ3 LYS 75 HZ3 LYS 75 16.608 -18.284 -12.602 598 H LYS 76 H LYS 76 10.495 -15.585 -7.781 599 HA LYS 76 HA LYS 76 10.232 -12.900 -8.277 600 HB2 LYS 76 HB2 LYS 76 11.487 -14.056 -10.475 601 HB3 LYS 76 HB3 LYS 76 9.806 -13.977 -10.964 602 HG2 LYS 76 HG2 LYS 76 9.732 -11.647 -10.869 603 HG3 LYS 76 HG3 LYS 76 10.933 -11.547 -9.598 604 HD2 LYS 76 HD2 LYS 76 12.695 -11.502 -11.075 605 HD3 LYS 76 HD3 LYS 76 11.968 -12.685 -12.144 606 HE2 LYS 76 HE2 LYS 76 11.334 -11.023 -13.550 607 HE3 LYS 76 HE3 LYS 76 10.319 -10.346 -12.292 608 HZ1 LYS 76 HZ1 LYS 76 12.390 -9.090 -13.308 609 HZ2 LYS 76 HZ2 LYS 76 11.858 -8.822 -11.787 610 HZ3 LYS 76 HZ3 LYS 76 13.135 -9.808 -12.045 611 H ILE 77 H ILE 77 7.977 -12.424 -9.289 612 HA ILE 77 HA ILE 77 5.799 -12.799 -9.371 613 HB ILE 77 HB ILE 77 6.251 -15.763 -9.158 614 HG12 ILE 77 HG12 ILE 77 7.844 -15.165 -10.798 615 HG13 ILE 77 HG13 ILE 77 6.435 -15.731 -11.674 616 HG21 ILE 77 HG21 ILE 77 4.267 -15.846 -10.617 617 HG22 ILE 77 HG22 ILE 77 3.941 -15.025 -9.072 618 HG23 ILE 77 HG23 ILE 77 4.163 -14.070 -10.558 619 HD11 ILE 77 HD11 ILE 77 7.271 -12.835 -11.213 620 HD12 ILE 77 HD12 ILE 77 7.187 -13.706 -12.763 621 HD13 ILE 77 HD13 ILE 77 5.691 -13.298 -11.889 622 H MET 78 H MET 78 6.281 -11.736 -7.162 623 HA MET 78 HA MET 78 4.530 -12.576 -5.342 624 HB2 MET 78 HB2 MET 78 6.882 -14.302 -5.309 625 HB3 MET 78 HB3 MET 78 6.819 -13.422 -3.795 626 HG2 MET 78 HG2 MET 78 4.665 -14.294 -3.230 627 HG3 MET 78 HG3 MET 78 4.322 -14.771 -4.881 628 HE1 MET 78 HE1 MET 78 4.005 -16.778 -5.314 629 HE2 MET 78 HE2 MET 78 5.572 -17.330 -5.954 630 HE3 MET 78 HE3 MET 78 4.747 -18.269 -4.686 631 HA PRO 79 HA PRO 79 7.735 -9.667 -3.399 632 HB2 PRO 79 HB2 PRO 79 10.131 -9.237 -4.642 633 HB3 PRO 79 HB3 PRO 79 9.917 -10.400 -3.348 634 HG2 PRO 79 HG2 PRO 79 10.218 -10.888 -6.248 635 HG3 PRO 79 HG3 PRO 79 10.429 -12.010 -4.918 636 HD2 PRO 79 HD2 PRO 79 8.179 -11.853 -6.691 637 HD3 PRO 79 HD3 PRO 79 8.340 -12.895 -5.291 638 H ALA 80 H ALA 80 7.883 -9.615 -6.902 639 HA ALA 80 HA ALA 80 8.175 -6.957 -7.338 640 HB1 ALA 80 HB1 ALA 80 6.115 -8.558 -8.861 641 HB2 ALA 80 HB2 ALA 80 7.308 -7.387 -9.472 642 HB3 ALA 80 HB3 ALA 80 7.837 -9.000 -8.938 643 H GLY 81 H GLY 81 5.231 -8.726 -6.272 644 HA2 GLY 81 HA2 GLY 81 3.221 -6.991 -6.574 645 HA3 GLY 81 HA3 GLY 81 3.458 -7.916 -5.105 646 H LEU 82 H LEU 82 5.517 -6.852 -3.746 647 HA LEU 82 HA LEU 82 4.523 -4.590 -2.590 648 HB2 LEU 82 HB2 LEU 82 7.142 -5.982 -2.641 649 HB3 LEU 82 HB3 LEU 82 7.140 -4.338 -2.033 650 HG LEU 82 HG LEU 82 5.162 -5.163 -0.528 651 HD11 LEU 82 HD11 LEU 82 4.709 -7.296 -1.421 652 HD12 LEU 82 HD12 LEU 82 6.427 -7.761 -1.409 653 HD13 LEU 82 HD13 LEU 82 5.540 -7.591 0.125 654 HD21 LEU 82 HD21 LEU 82 6.782 -5.875 1.203 655 HD22 LEU 82 HD22 LEU 82 8.050 -5.945 -0.044 656 HD23 LEU 82 HD23 LEU 82 7.276 -4.392 0.352 657 H VAL 83 H VAL 83 7.004 -4.850 -5.215 658 HA VAL 83 HA VAL 83 7.525 -2.137 -5.426 659 HB VAL 83 HB VAL 83 7.538 -4.291 -7.550 660 HG11 VAL 83 HG11 VAL 83 8.876 -1.569 -7.443 661 HG12 VAL 83 HG12 VAL 83 9.291 -2.845 -8.613 662 HG13 VAL 83 HG13 VAL 83 7.659 -2.135 -8.612 663 HG21 VAL 83 HG21 VAL 83 9.496 -5.063 -6.735 664 HG22 VAL 83 HG22 VAL 83 10.076 -3.438 -6.300 665 HG23 VAL 83 HG23 VAL 83 8.960 -4.304 -5.217 666 H ALA 84 H ALA 84 4.886 -4.168 -6.758 667 HA ALA 84 HA ALA 84 3.881 -2.188 -8.496 668 HB1 ALA 84 HB1 ALA 84 1.741 -3.787 -7.954 669 HB2 ALA 84 HB2 ALA 84 3.039 -4.223 -9.093 670 HB3 ALA 84 HB3 ALA 84 3.073 -4.843 -7.424 671 H GLY 85 H GLY 85 3.592 -2.844 -5.022 672 HA2 GLY 85 HA2 GLY 85 1.240 -1.314 -4.574 673 HA3 GLY 85 HA3 GLY 85 2.414 -1.839 -3.383 674 H LEU 86 H LEU 86 4.739 -0.638 -3.812 675 HA LEU 86 HA LEU 86 4.375 1.969 -3.025 676 HB2 LEU 86 HB2 LEU 86 6.402 0.954 -2.520 677 HB3 LEU 86 HB3 LEU 86 6.679 0.432 -4.169 678 HG LEU 86 HG LEU 86 6.981 2.868 -4.793 679 HD11 LEU 86 HD11 LEU 86 6.059 4.194 -3.172 680 HD12 LEU 86 HD12 LEU 86 6.602 3.145 -1.840 681 HD13 LEU 86 HD13 LEU 86 7.764 4.214 -2.661 682 HD21 LEU 86 HD21 LEU 86 8.938 1.609 -4.723 683 HD22 LEU 86 HD22 LEU 86 9.285 2.977 -3.638 684 HD23 LEU 86 HD23 LEU 86 8.855 1.389 -2.958 685 H SER 87 H SER 87 4.936 0.618 -6.325 686 HA SER 87 HA SER 87 5.182 3.043 -7.600 687 HB2 SER 87 HB2 SER 87 5.412 0.487 -8.391 688 HB3 SER 87 HB3 SER 87 3.782 0.757 -8.975 689 HG SER 87 HG SER 87 4.885 2.859 -9.903 690 H LEU 88 H LEU 88 2.253 0.927 -7.163 691 HA LEU 88 HA LEU 88 0.400 2.407 -8.456 692 HB2 LEU 88 HB2 LEU 88 0.458 0.357 -6.469 693 HB3 LEU 88 HB3 LEU 88 -0.771 1.523 -6.021 694 HG LEU 88 HG LEU 88 -1.679 1.290 -8.395 695 HD11 LEU 88 HD11 LEU 88 0.647 -0.345 -8.657 696 HD12 LEU 88 HD12 LEU 88 -0.793 -1.368 -8.871 697 HD13 LEU 88 HD13 LEU 88 -0.571 0.079 -9.883 698 HD21 LEU 88 HD21 LEU 88 -2.902 0.357 -6.584 699 HD22 LEU 88 HD22 LEU 88 -2.818 -0.890 -7.852 700 HD23 LEU 88 HD23 LEU 88 -1.762 -1.002 -6.423 701 H MET 89 H MET 89 1.518 2.883 -5.040 702 HA MET 89 HA MET 89 -0.132 4.990 -4.471 703 HB2 MET 89 HB2 MET 89 2.743 4.410 -3.563 704 HB3 MET 89 HB3 MET 89 1.688 5.560 -2.763 705 HG2 MET 89 HG2 MET 89 0.564 2.807 -3.181 706 HG3 MET 89 HG3 MET 89 1.872 2.938 -2.022 707 HE1 MET 89 HE1 MET 89 -1.896 2.857 -2.056 708 HE2 MET 89 HE2 MET 89 -0.672 1.870 -1.221 709 HE3 MET 89 HE3 MET 89 -1.779 2.899 -0.280 710 H MET 90 H MET 90 3.276 5.064 -5.739 711 HA MET 90 HA MET 90 3.649 7.721 -5.828 712 HB2 MET 90 HB2 MET 90 5.192 5.757 -6.554 713 HB3 MET 90 HB3 MET 90 4.394 5.819 -8.113 714 HG2 MET 90 HG2 MET 90 5.047 8.493 -7.712 715 HG3 MET 90 HG3 MET 90 6.396 7.680 -6.943 716 HE1 MET 90 HE1 MET 90 8.470 8.169 -9.221 717 HE2 MET 90 HE2 MET 90 7.420 8.958 -10.422 718 HE3 MET 90 HE3 MET 90 7.214 9.313 -8.690 719 H ILE 91 H ILE 91 2.223 5.726 -8.520 720 HA ILE 91 HA ILE 91 1.688 7.817 -10.229 721 HB ILE 91 HB ILE 91 0.212 5.214 -9.824 722 HG12 ILE 91 HG12 ILE 91 2.200 5.727 -12.008 723 HG13 ILE 91 HG13 ILE 91 2.793 5.376 -10.396 724 HG21 ILE 91 HG21 ILE 91 0.239 6.862 -12.351 725 HG22 ILE 91 HG22 ILE 91 -0.808 5.490 -11.917 726 HG23 ILE 91 HG23 ILE 91 -1.015 7.059 -11.103 727 HD11 ILE 91 HD11 ILE 91 1.539 3.268 -10.326 728 HD12 ILE 91 HD12 ILE 91 0.770 3.642 -11.887 729 HD13 ILE 91 HD13 ILE 91 2.519 3.318 -11.811 730 H LEU 92 H LEU 92 -0.382 6.397 -7.618 731 HA LEU 92 HA LEU 92 -2.600 7.979 -8.045 732 HB2 LEU 92 HB2 LEU 92 -1.515 6.284 -5.930 733 HB3 LEU 92 HB3 LEU 92 -2.489 7.601 -5.307 734 HG LEU 92 HG LEU 92 -4.281 6.851 -7.000 735 HD11 LEU 92 HD11 LEU 92 -2.991 5.422 -8.418 736 HD12 LEU 92 HD12 LEU 92 -2.471 4.425 -7.039 737 HD13 LEU 92 HD13 LEU 92 -4.175 4.413 -7.553 738 HD21 LEU 92 HD21 LEU 92 -4.649 6.579 -4.665 739 HD22 LEU 92 HD22 LEU 92 -5.063 5.034 -5.447 740 HD23 LEU 92 HD23 LEU 92 -3.519 5.206 -4.578 741 H ARG 93 H ARG 93 0.549 8.741 -6.612 742 HA ARG 93 HA ARG 93 -0.421 11.139 -5.438 743 HB2 ARG 93 HB2 ARG 93 2.450 10.211 -5.961 744 HB3 ARG 93 HB3 ARG 93 1.996 11.549 -4.924 745 HG2 ARG 93 HG2 ARG 93 0.661 8.924 -4.349 746 HG3 ARG 93 HG3 ARG 93 2.379 9.006 -4.009 747 HD2 ARG 93 HD2 ARG 93 1.988 11.076 -2.626 748 HD3 ARG 93 HD3 ARG 93 0.268 10.943 -2.938 749 HE ARG 93 HE ARG 93 1.823 9.331 -1.071 750 HH11 ARG 93 HH22 ARG 93 -1.050 9.346 -3.103 751 HH12 ARG 93 HH21 ARG 93 -1.878 8.150 -2.163 752 HH21 ARG 93 HH12 ARG 93 0.731 7.753 0.170 753 HH22 ARG 93 HH11 ARG 93 -0.858 7.238 -0.288 754 H LEU 94 H LEU 94 1.024 10.075 -8.499 755 HA LEU 94 HA LEU 94 2.003 12.529 -9.393 756 HB2 LEU 94 HB2 LEU 94 1.151 9.964 -10.671 757 HB3 LEU 94 HB3 LEU 94 1.464 11.357 -11.688 758 HG LEU 94 HG LEU 94 3.496 10.398 -9.673 759 HD11 LEU 94 HD11 LEU 94 2.564 8.869 -11.848 760 HD12 LEU 94 HD12 LEU 94 4.133 9.544 -12.348 761 HD13 LEU 94 HD13 LEU 94 4.012 8.591 -10.850 762 HD21 LEU 94 HD21 LEU 94 5.024 11.432 -11.475 763 HD22 LEU 94 HD22 LEU 94 3.539 12.203 -12.084 764 HD23 LEU 94 HD23 LEU 94 4.091 12.522 -10.422 765 H VAL 95 H VAL 95 -1.272 11.123 -9.286 766 HA VAL 95 HA VAL 95 -2.347 13.199 -10.962 767 HB VAL 95 HB VAL 95 -4.482 12.115 -10.467 768 HG11 VAL 95 HG11 VAL 95 -2.199 10.274 -11.237 769 HG12 VAL 95 HG12 VAL 95 -3.918 9.844 -11.407 770 HG13 VAL 95 HG13 VAL 95 -3.251 11.222 -12.315 771 HG21 VAL 95 HG21 VAL 95 -4.792 10.390 -8.936 772 HG22 VAL 95 HG22 VAL 95 -3.055 10.006 -8.858 773 HG23 VAL 95 HG23 VAL 95 -3.678 11.475 -8.070 774 H LEU 96 H LEU 96 -1.851 12.514 -7.509 775 HA LEU 96 HA LEU 96 -3.693 14.233 -6.407 776 HB2 LEU 96 HB2 LEU 96 -1.952 12.539 -5.408 777 HB3 LEU 96 HB3 LEU 96 -0.946 13.966 -5.254 778 HG LEU 96 HG LEU 96 -2.136 13.467 -3.180 779 HD11 LEU 96 HD11 LEU 96 -1.559 15.791 -3.693 780 HD12 LEU 96 HD12 LEU 96 -3.136 16.011 -4.489 781 HD13 LEU 96 HD13 LEU 96 -3.060 15.683 -2.742 782 HD21 LEU 96 HD21 LEU 96 -4.205 12.674 -3.206 783 HD22 LEU 96 HD22 LEU 96 -4.790 14.268 -3.741 784 HD23 LEU 96 HD23 LEU 96 -4.357 13.030 -4.944 785 H LEU 97 H LEU 97 -0.349 14.915 -7.610 786 HA LEU 97 HA LEU 97 -0.020 17.468 -6.864 787 HB2 LEU 97 HB2 LEU 97 0.767 15.859 -9.216 788 HB3 LEU 97 HB3 LEU 97 0.908 17.596 -9.405 789 HG LEU 97 HG LEU 97 2.137 16.096 -7.083 790 HD11 LEU 97 HD11 LEU 97 3.681 16.979 -9.514 791 HD12 LEU 97 HD12 LEU 97 4.153 15.844 -8.226 792 HD13 LEU 97 HD13 LEU 97 2.926 15.369 -9.424 793 HD21 LEU 97 HD21 LEU 97 1.746 18.547 -6.829 794 HD22 LEU 97 HD22 LEU 97 3.458 18.068 -6.746 795 HD23 LEU 97 HD23 LEU 97 2.814 18.817 -8.227 796 H LEU 98 H LEU 98 -1.697 16.512 -9.950 797 HA LEU 98 HA LEU 98 -2.545 19.021 -10.645 798 HB2 LEU 98 HB2 LEU 98 -2.667 16.698 -11.824 799 HB3 LEU 98 HB3 LEU 98 -4.259 16.604 -11.098 800 HG LEU 98 HG LEU 98 -4.754 18.853 -12.206 801 HD11 LEU 98 HD11 LEU 98 -2.857 19.853 -12.934 802 HD12 LEU 98 HD12 LEU 98 -2.030 18.312 -13.265 803 HD13 LEU 98 HD13 LEU 98 -3.236 18.939 -14.414 804 HD21 LEU 98 HD21 LEU 98 -4.879 17.628 -14.553 805 HD22 LEU 98 HD22 LEU 98 -4.458 16.210 -13.563 806 HD23 LEU 98 HD23 LEU 98 -5.919 17.154 -13.188 807 H LEU 99 H LEU 99 -4.401 16.538 -8.744 808 HA LEU 99 HA LEU 99 -6.581 18.132 -8.207 809 HB2 LEU 99 HB2 LEU 99 -5.484 15.620 -7.345 810 HB3 LEU 99 HB3 LEU 99 -6.117 16.484 -5.959 811 HG LEU 99 HG LEU 99 -8.183 16.819 -7.680 812 HD11 LEU 99 HD11 LEU 99 -6.806 14.256 -8.486 813 HD12 LEU 99 HD12 LEU 99 -8.551 14.521 -8.715 814 HD13 LEU 99 HD13 LEU 99 -7.376 15.590 -9.517 815 HD21 LEU 99 HD21 LEU 99 -8.413 16.042 -5.411 816 HD22 LEU 99 HD22 LEU 99 -9.270 14.924 -6.500 817 HD23 LEU 99 HD23 LEU 99 -7.684 14.473 -5.829 Start of MODEL 20 1 H MET 1 H1 MET 1 -23.148 -22.836 -19.319 2 HA MET 1 HA MET 1 -20.954 -21.604 -19.510 3 HB2 MET 1 HB2 MET 1 -20.186 -23.725 -17.885 4 HB3 MET 1 HB3 MET 1 -19.672 -24.314 -19.453 5 HG2 MET 1 HG2 MET 1 -17.924 -22.850 -19.538 6 HG3 MET 1 HG3 MET 1 -18.942 -21.490 -19.108 7 HE1 MET 1 HE1 MET 1 -16.065 -22.787 -18.544 8 HE2 MET 1 HE2 MET 1 -15.966 -21.326 -17.532 9 HE3 MET 1 HE3 MET 1 -15.676 -22.929 -16.813 10 H ASP 2 H ASP 2 -22.045 -21.337 -21.541 11 HA ASP 2 HA ASP 2 -20.926 -22.645 -23.641 12 HB2 ASP 2 HB2 ASP 2 -23.090 -23.879 -24.450 13 HB3 ASP 2 HB3 ASP 2 -22.045 -24.685 -23.298 14 H LEU 3 H LEU 3 -20.985 -20.381 -24.299 15 HA LEU 3 HA LEU 3 -21.796 -18.598 -25.314 16 HB2 LEU 3 HB2 LEU 3 -22.856 -20.602 -26.660 17 HB3 LEU 3 HB3 LEU 3 -24.355 -19.977 -26.002 18 HG LEU 3 HG LEU 3 -22.660 -17.895 -27.197 19 HD11 LEU 3 HD11 LEU 3 -23.014 -18.528 -29.515 20 HD12 LEU 3 HD12 LEU 3 -22.053 -19.767 -28.673 21 HD13 LEU 3 HD13 LEU 3 -23.778 -20.054 -29.007 22 HD21 LEU 3 HD21 LEU 3 -24.635 -16.904 -27.428 23 HD22 LEU 3 HD22 LEU 3 -25.294 -18.277 -28.350 24 HD23 LEU 3 HD23 LEU 3 -25.352 -18.289 -26.571 25 H ILE 4 H ILE 4 -22.648 -16.724 -24.515 26 HA ILE 4 HA ILE 4 -25.121 -16.439 -23.362 27 HB ILE 4 HB ILE 4 -24.659 -17.846 -21.579 28 HG12 ILE 4 HG12 ILE 4 -25.514 -15.545 -20.973 29 HG13 ILE 4 HG13 ILE 4 -24.800 -16.471 -19.668 30 HG21 ILE 4 HG21 ILE 4 -22.441 -17.292 -20.195 31 HG22 ILE 4 HG22 ILE 4 -22.475 -18.459 -21.538 32 HG23 ILE 4 HG23 ILE 4 -21.883 -16.803 -21.813 33 HD11 ILE 4 HD11 ILE 4 -22.637 -15.055 -20.853 34 HD12 ILE 4 HD12 ILE 4 -23.981 -13.894 -20.736 35 HD13 ILE 4 HD13 ILE 4 -23.402 -14.735 -19.278 36 H GLY 5 H GLY 5 -21.646 -15.556 -23.326 37 HA2 GLY 5 HA2 GLY 5 -21.139 -13.400 -24.327 38 HA3 GLY 5 HA3 GLY 5 -22.485 -12.720 -23.435 39 H PHE 6 H PHE 6 -19.135 -13.110 -23.458 40 HA PHE 6 HA PHE 6 -18.784 -13.333 -20.615 41 HB2 PHE 6 HB2 PHE 6 -17.195 -14.243 -22.367 42 HB3 PHE 6 HB3 PHE 6 -16.945 -12.620 -22.978 43 HD1 PHE 6 HD1 PHE 6 -15.934 -10.896 -21.343 44 HD2 PHE 6 HD2 PHE 6 -15.808 -15.088 -20.692 45 HE1 PHE 6 HE1 PHE 6 -14.017 -10.592 -19.752 46 HE2 PHE 6 HE2 PHE 6 -13.891 -14.783 -19.101 47 HZ PHE 6 HZ PHE 6 -13.018 -12.538 -18.650 48 H GLY 7 H GLY 7 -18.066 -10.802 -23.132 49 HA2 GLY 7 HA2 GLY 7 -17.139 -8.757 -21.699 50 HA3 GLY 7 HA3 GLY 7 -18.314 -8.547 -22.982 51 H TYR 8 H TYR 8 -20.700 -9.437 -22.062 52 HA TYR 8 HA TYR 8 -21.655 -7.438 -20.479 53 HB2 TYR 8 HB2 TYR 8 -22.617 -9.605 -21.855 54 HB3 TYR 8 HB3 TYR 8 -22.715 -10.282 -20.242 55 HD1 TYR 8 HD1 TYR 8 -24.077 -9.003 -18.474 56 HD2 TYR 8 HD2 TYR 8 -24.298 -8.155 -22.662 57 HE1 TYR 8 HE1 TYR 8 -26.309 -7.837 -18.127 58 HE2 TYR 8 HE2 TYR 8 -26.530 -6.991 -22.300 59 HH TYR 8 HH TYR 8 -28.090 -7.027 -19.137 60 H ALA 9 H ALA 9 -20.628 -10.757 -19.423 61 HA ALA 9 HA ALA 9 -21.261 -10.436 -16.743 62 HB1 ALA 9 HB1 ALA 9 -19.605 -12.222 -18.431 63 HB2 ALA 9 HB2 ALA 9 -19.105 -12.131 -16.726 64 HB3 ALA 9 HB3 ALA 9 -20.766 -12.618 -17.142 65 H ALA 10 H ALA 10 -18.445 -9.372 -18.673 66 HA ALA 10 HA ALA 10 -16.857 -8.691 -16.424 67 HB1 ALA 10 HB1 ALA 10 -15.442 -7.600 -18.108 68 HB2 ALA 10 HB2 ALA 10 -15.965 -9.200 -18.686 69 HB3 ALA 10 HB3 ALA 10 -16.747 -7.728 -19.312 70 H LEU 11 H LEU 11 -19.456 -7.139 -18.274 71 HA LEU 11 HA LEU 11 -18.891 -4.503 -17.429 72 HB2 LEU 11 HB2 LEU 11 -20.673 -5.815 -19.166 73 HB3 LEU 11 HB3 LEU 11 -21.678 -4.981 -17.997 74 HG LEU 11 HG LEU 11 -21.312 -3.594 -19.950 75 HD11 LEU 11 HD11 LEU 11 -19.619 -2.275 -17.854 76 HD12 LEU 11 HD12 LEU 11 -20.928 -1.603 -18.856 77 HD13 LEU 11 HD13 LEU 11 -21.314 -2.686 -17.497 78 HD21 LEU 11 HD21 LEU 11 -19.210 -2.902 -20.763 79 HD22 LEU 11 HD22 LEU 11 -18.355 -3.529 -19.333 80 HD23 LEU 11 HD23 LEU 11 -19.072 -4.658 -20.508 81 H VAL 12 H VAL 12 -21.207 -7.047 -16.276 82 HA VAL 12 HA VAL 12 -22.144 -5.477 -14.133 83 HB VAL 12 HB VAL 12 -22.164 -8.454 -14.659 84 HG11 VAL 12 HG11 VAL 12 -22.439 -7.690 -12.210 85 HG12 VAL 12 HG12 VAL 12 -24.000 -7.016 -12.739 86 HG13 VAL 12 HG13 VAL 12 -23.685 -8.761 -12.897 87 HG21 VAL 12 HG21 VAL 12 -23.396 -7.375 -16.367 88 HG22 VAL 12 HG22 VAL 12 -24.609 -7.930 -15.189 89 HG23 VAL 12 HG23 VAL 12 -24.124 -6.218 -15.227 90 H THR 13 H THR 13 -19.858 -8.306 -14.236 91 HA THR 13 HA THR 13 -19.130 -8.318 -11.602 92 HB THR 13 HB THR 13 -17.419 -8.824 -14.094 93 HG1 THR 13 HG1 THR 13 -19.117 -10.465 -12.348 94 HG21 THR 13 HG21 THR 13 -15.874 -9.848 -12.735 95 HG22 THR 13 HG22 THR 13 -16.598 -8.898 -11.416 96 HG23 THR 13 HG23 THR 13 -17.143 -10.566 -11.714 97 H PHE 14 H PHE 14 -17.195 -6.644 -14.181 98 HA PHE 14 HA PHE 14 -15.517 -5.328 -12.483 99 HB2 PHE 14 HB2 PHE 14 -15.535 -5.494 -15.052 100 HB3 PHE 14 HB3 PHE 14 -16.826 -4.310 -15.076 101 HD1 PHE 14 HD1 PHE 14 -16.350 -1.987 -14.180 102 HD2 PHE 14 HD2 PHE 14 -13.281 -4.821 -14.927 103 HE1 PHE 14 HE1 PHE 14 -14.653 -0.138 -14.222 104 HE2 PHE 14 HE2 PHE 14 -11.584 -2.972 -14.969 105 HZ PHE 14 HZ PHE 14 -12.290 -0.653 -14.616 106 H GLY 15 H GLY 15 -18.612 -4.045 -13.905 107 HA2 GLY 15 HA2 GLY 15 -18.669 -1.565 -12.780 108 HA3 GLY 15 HA3 GLY 15 -20.086 -2.552 -13.080 109 H SER 16 H SER 16 -20.674 -4.221 -11.356 110 HA SER 16 HA SER 16 -21.222 -3.118 -9.028 111 HB2 SER 16 HB2 SER 16 -20.805 -5.919 -9.936 112 HB3 SER 16 HB3 SER 16 -20.747 -5.710 -8.197 113 HG SER 16 HG SER 16 -22.927 -6.094 -9.351 114 H ILE 17 H ILE 17 -18.200 -5.000 -9.741 115 HA ILE 17 HA ILE 17 -17.047 -4.925 -7.268 116 HB ILE 17 HB ILE 17 -15.924 -4.882 -10.053 117 HG12 ILE 17 HG12 ILE 17 -15.873 -7.044 -7.932 118 HG13 ILE 17 HG13 ILE 17 -17.151 -6.888 -9.121 119 HG21 ILE 17 HG21 ILE 17 -13.864 -5.711 -8.362 120 HG22 ILE 17 HG22 ILE 17 -13.950 -4.198 -9.296 121 HG23 ILE 17 HG23 ILE 17 -14.507 -4.233 -7.606 122 HD11 ILE 17 HD11 ILE 17 -15.532 -7.132 -10.964 123 HD12 ILE 17 HD12 ILE 17 -14.188 -7.179 -9.799 124 HD13 ILE 17 HD13 ILE 17 -15.379 -8.501 -9.837 125 H PHE 18 H PHE 18 -16.736 -2.450 -9.909 126 HA PHE 18 HA PHE 18 -15.147 -0.698 -8.482 127 HB2 PHE 18 HB2 PHE 18 -16.074 -0.846 -10.993 128 HB3 PHE 18 HB3 PHE 18 -17.401 0.122 -10.381 129 HD1 PHE 18 HD2 PHE 18 -16.806 2.356 -9.252 130 HD2 PHE 18 HD1 PHE 18 -14.088 0.178 -11.676 131 HE1 PHE 18 HE2 PHE 18 -15.448 4.438 -9.600 132 HE2 PHE 18 HE1 PHE 18 -12.731 2.260 -12.024 133 HZ PHE 18 HZ PHE 18 -13.427 4.365 -10.982 134 H GLY 19 H GLY 19 -18.642 -1.328 -8.323 135 HA2 GLY 19 HA2 GLY 19 -19.304 1.107 -6.966 136 HA3 GLY 19 HA3 GLY 19 -20.310 -0.312 -7.177 137 H TYR 20 H TYR 20 -18.114 -2.123 -6.056 138 HA TYR 20 HA TYR 20 -17.394 -1.355 -3.498 139 HB2 TYR 20 HB2 TYR 20 -20.172 -1.648 -3.767 140 HB3 TYR 20 HB3 TYR 20 -19.710 -3.268 -3.283 141 HD1 TYR 20 HD1 TYR 20 -18.517 0.139 -2.233 142 HD2 TYR 20 HD2 TYR 20 -20.220 -3.602 -1.047 143 HE1 TYR 20 HE1 TYR 20 -18.459 0.876 0.199 144 HE2 TYR 20 HE2 TYR 20 -20.157 -2.853 1.381 145 HH TYR 20 HH TYR 20 -19.723 -1.246 2.756 146 H LYS 21 H LYS 21 -18.987 -4.197 -5.123 147 HA LYS 21 HA LYS 21 -17.703 -6.225 -3.949 148 HB2 LYS 21 HB2 LYS 21 -19.082 -5.781 -6.417 149 HB3 LYS 21 HB3 LYS 21 -17.683 -6.780 -6.752 150 HG2 LYS 21 HG2 LYS 21 -19.328 -7.453 -4.316 151 HG3 LYS 21 HG3 LYS 21 -20.010 -7.831 -5.886 152 HD2 LYS 21 HD2 LYS 21 -18.331 -9.392 -6.404 153 HD3 LYS 21 HD3 LYS 21 -17.148 -8.632 -5.359 154 HE2 LYS 21 HE2 LYS 21 -17.769 -10.651 -4.230 155 HE3 LYS 21 HE3 LYS 21 -18.597 -9.373 -3.363 156 HZ1 LYS 21 HZ1 LYS 21 -19.881 -10.838 -5.552 157 HZ2 LYS 21 HZ2 LYS 21 -19.953 -11.350 -4.003 158 HZ3 LYS 21 HZ3 LYS 21 -20.592 -9.906 -4.416 159 H ARG 22 H ARG 22 -15.777 -7.527 -4.462 160 HA ARG 22 HA ARG 22 -13.817 -6.708 -6.164 161 HB2 ARG 22 HB2 ARG 22 -12.143 -5.794 -4.392 162 HB3 ARG 22 HB3 ARG 22 -13.382 -4.693 -4.961 163 HG2 ARG 22 HG2 ARG 22 -14.804 -5.379 -2.953 164 HG3 ARG 22 HG3 ARG 22 -13.431 -6.293 -2.362 165 HD2 ARG 22 HD2 ARG 22 -12.320 -4.412 -1.662 166 HD3 ARG 22 HD3 ARG 22 -12.719 -3.518 -3.116 167 HE ARG 22 HE ARG 22 -15.146 -3.611 -1.843 168 HH11 ARG 22 HH22 ARG 22 -11.930 -2.721 -0.725 169 HH12 ARG 22 HH21 ARG 22 -12.514 -1.601 0.460 170 HH21 ARG 22 HH12 ARG 22 -15.916 -2.134 -0.280 171 HH22 ARG 22 HH11 ARG 22 -14.796 -1.265 0.715 172 H ARG 23 H ARG 23 -14.595 -9.172 -5.812 173 HA ARG 23 HA ARG 23 -14.010 -10.709 -3.768 174 HB2 ARG 23 HB2 ARG 23 -14.571 -11.164 -6.415 175 HB3 ARG 23 HB3 ARG 23 -12.923 -11.757 -6.362 176 HG2 ARG 23 HG2 ARG 23 -13.439 -13.504 -4.901 177 HG3 ARG 23 HG3 ARG 23 -14.757 -12.633 -4.144 178 HD2 ARG 23 HD2 ARG 23 -15.305 -13.105 -6.993 179 HD3 ARG 23 HD3 ARG 23 -14.974 -14.610 -6.158 180 HE ARG 23 HE ARG 23 -17.261 -12.812 -5.697 181 HH11 ARG 23 HH22 ARG 23 -15.351 -15.491 -4.446 182 HH12 ARG 23 HH21 ARG 23 -16.607 -16.064 -3.399 183 HH21 ARG 23 HH12 ARG 23 -18.917 -13.568 -4.316 184 HH22 ARG 23 HH11 ARG 23 -18.648 -14.963 -3.324 185 H GLY 24 H GLY 24 -12.176 -11.793 -2.838 186 HA2 GLY 24 HA2 GLY 24 -9.659 -12.090 -3.719 187 HA3 GLY 24 HA3 GLY 24 -9.659 -10.408 -3.227 188 H GLY 25 H GLY 25 -11.112 -10.201 -0.962 189 HA2 GLY 25 HA2 GLY 25 -11.451 -11.717 1.044 190 HA3 GLY 25 HA3 GLY 25 -9.738 -12.050 0.885 191 H VAL 26 H VAL 26 -11.065 -10.814 3.185 192 HA VAL 26 HA VAL 26 -10.554 -8.005 3.061 193 HB VAL 26 HB VAL 26 -11.716 -9.962 4.892 194 HG11 VAL 26 HG11 VAL 26 -11.330 -8.492 6.923 195 HG12 VAL 26 HG12 VAL 26 -9.932 -9.455 6.387 196 HG13 VAL 26 HG13 VAL 26 -10.013 -7.717 6.009 197 HG21 VAL 26 HG21 VAL 26 -13.402 -8.437 5.011 198 HG22 VAL 26 HG22 VAL 26 -12.293 -7.047 5.088 199 HG23 VAL 26 HG23 VAL 26 -12.630 -7.830 3.526 200 HA PRO 27 HA PRO 27 -6.768 -9.391 5.533 201 HB2 PRO 27 HB2 PRO 27 -6.155 -12.046 5.740 202 HB3 PRO 27 HB3 PRO 27 -7.043 -11.169 6.970 203 HG2 PRO 27 HG2 PRO 27 -8.055 -13.108 4.981 204 HG3 PRO 27 HG3 PRO 27 -8.815 -12.554 6.459 205 HD2 PRO 27 HD2 PRO 27 -9.462 -11.737 3.787 206 HD3 PRO 27 HD3 PRO 27 -10.141 -11.100 5.272 207 H SER 28 H SER 28 -5.269 -8.484 4.275 208 HA SER 28 HA SER 28 -3.471 -9.854 2.938 209 HB2 SER 28 HB2 SER 28 -5.984 -9.927 1.406 210 HB3 SER 28 HB3 SER 28 -4.666 -9.254 0.467 211 HG SER 28 HG SER 28 -3.509 -11.147 0.627 212 H LEU 29 H LEU 29 -2.630 -8.435 0.804 213 HA LEU 29 HA LEU 29 -1.757 -6.073 1.717 214 HB2 LEU 29 HB2 LEU 29 -1.574 -5.406 -0.708 215 HB3 LEU 29 HB3 LEU 29 -0.810 -6.909 -0.229 216 HG LEU 29 HG LEU 29 -3.471 -7.503 -1.110 217 HD11 LEU 29 HD11 LEU 29 -3.803 -5.771 -2.529 218 HD12 LEU 29 HD12 LEU 29 -2.065 -5.423 -2.697 219 HD13 LEU 29 HD13 LEU 29 -2.793 -6.772 -3.601 220 HD21 LEU 29 HD21 LEU 29 -1.443 -8.979 -1.079 221 HD22 LEU 29 HD22 LEU 29 -2.366 -9.004 -2.601 222 HD23 LEU 29 HD23 LEU 29 -0.845 -8.085 -2.498 223 H ILE 30 H ILE 30 -4.898 -6.674 0.049 224 HA ILE 30 HA ILE 30 -5.750 -4.114 -0.285 225 HB ILE 30 HB ILE 30 -7.264 -6.604 0.486 226 HG12 ILE 30 HG12 ILE 30 -6.074 -6.751 -1.633 227 HG13 ILE 30 HG13 ILE 30 -7.806 -6.700 -1.895 228 HG21 ILE 30 HG21 ILE 30 -8.911 -4.710 -0.886 229 HG22 ILE 30 HG22 ILE 30 -9.139 -5.447 0.718 230 HG23 ILE 30 HG23 ILE 30 -8.218 -3.933 0.557 231 HD11 ILE 30 HD11 ILE 30 -7.364 -5.025 -3.372 232 HD12 ILE 30 HD12 ILE 30 -7.126 -3.998 -1.937 233 HD13 ILE 30 HD13 ILE 30 -5.727 -4.773 -2.718 234 H ALA 31 H ALA 31 -6.268 -6.163 2.674 235 HA ALA 31 HA ALA 31 -7.440 -4.148 4.183 236 HB1 ALA 31 HB1 ALA 31 -6.222 -5.732 6.044 237 HB2 ALA 31 HB2 ALA 31 -7.736 -6.160 5.211 238 HB3 ALA 31 HB3 ALA 31 -6.184 -6.804 4.624 239 H GLY 32 H GLY 32 -4.043 -4.882 3.405 240 HA2 GLY 32 HA2 GLY 32 -2.853 -3.321 5.440 241 HA3 GLY 32 HA3 GLY 32 -2.116 -3.850 3.941 242 H LEU 33 H LEU 33 -4.265 -2.583 2.239 243 HA LEU 33 HA LEU 33 -3.060 0.018 2.143 244 HB2 LEU 33 HB2 LEU 33 -4.050 -1.725 0.289 245 HB3 LEU 33 HB3 LEU 33 -5.365 -0.574 0.412 246 HG LEU 33 HG LEU 33 -3.165 1.081 0.211 247 HD11 LEU 33 HD11 LEU 33 -2.453 -1.527 -0.904 248 HD12 LEU 33 HD12 LEU 33 -2.311 -0.197 -2.079 249 HD13 LEU 33 HD13 LEU 33 -1.435 -0.115 -0.532 250 HD21 LEU 33 HD21 LEU 33 -5.036 1.683 -0.992 251 HD22 LEU 33 HD22 LEU 33 -3.931 1.165 -2.288 252 HD23 LEU 33 HD23 LEU 33 -5.220 0.073 -1.728 253 H PHE 34 H PHE 34 -6.167 -1.459 3.135 254 HA PHE 34 HA PHE 34 -7.617 0.909 3.349 255 HB2 PHE 34 HB2 PHE 34 -8.088 -1.766 3.591 256 HB3 PHE 34 HB3 PHE 34 -7.893 -1.412 5.296 257 HD1 PHE 34 HD2 PHE 34 -9.311 0.691 6.127 258 HD2 PHE 34 HD1 PHE 34 -10.212 -1.649 2.703 259 HE1 PHE 34 HE2 PHE 34 -11.703 1.441 6.244 260 HE2 PHE 34 HE1 PHE 34 -12.604 -0.899 2.820 261 HZ PHE 34 HZ PHE 34 -13.321 0.637 4.589 262 H VAL 35 H VAL 35 -5.785 -0.971 5.867 263 HA VAL 35 HA VAL 35 -6.262 0.972 7.869 264 HB VAL 35 HB VAL 35 -4.339 -1.339 7.596 265 HG11 VAL 35 HG11 VAL 35 -4.581 -0.766 10.312 266 HG12 VAL 35 HG12 VAL 35 -3.161 -0.458 9.283 267 HG13 VAL 35 HG13 VAL 35 -4.362 0.828 9.551 268 HG21 VAL 35 HG21 VAL 35 -5.894 -2.631 8.652 269 HG22 VAL 35 HG22 VAL 35 -6.547 -1.273 9.598 270 HG23 VAL 35 HG23 VAL 35 -7.002 -1.466 7.888 271 H GLY 36 H GLY 36 -3.376 0.128 5.832 272 HA2 GLY 36 HA2 GLY 36 -1.589 1.977 6.763 273 HA3 GLY 36 HA3 GLY 36 -1.679 1.416 5.106 274 H CYS 37 H CYS 37 -4.127 2.439 4.204 275 HA CYS 37 HA CYS 37 -3.415 5.088 3.673 276 HB2 CYS 37 HB2 CYS 37 -4.804 3.534 2.217 277 HB3 CYS 37 HB3 CYS 37 -6.160 3.865 3.277 278 HG CYS 37 HG CYS 37 -6.625 5.426 1.376 279 H LEU 38 H LEU 38 -5.719 3.495 5.943 280 HA LEU 38 HA LEU 38 -7.147 5.646 6.809 281 HB2 LEU 38 HB2 LEU 38 -7.108 3.078 7.425 282 HB3 LEU 38 HB3 LEU 38 -6.168 3.641 8.792 283 HG LEU 38 HG LEU 38 -8.936 4.644 8.070 284 HD11 LEU 38 HD11 LEU 38 -9.557 3.372 10.202 285 HD12 LEU 38 HD12 LEU 38 -9.259 2.417 8.730 286 HD13 LEU 38 HD13 LEU 38 -8.012 2.513 9.996 287 HD21 LEU 38 HD21 LEU 38 -8.364 6.367 9.370 288 HD22 LEU 38 HD22 LEU 38 -8.490 5.220 10.725 289 HD23 LEU 38 HD23 LEU 38 -6.907 5.546 9.979 290 H ALA 39 H ALA 39 -4.112 4.408 8.390 291 HA ALA 39 HA ALA 39 -3.814 6.585 10.080 292 HB1 ALA 39 HB1 ALA 39 -2.610 4.572 10.511 293 HB2 ALA 39 HB2 ALA 39 -1.874 4.576 8.890 294 HB3 ALA 39 HB3 ALA 39 -1.378 5.788 10.095 295 H GLY 40 H GLY 40 -1.874 5.901 7.076 296 HA2 GLY 40 HA2 GLY 40 -0.511 8.165 6.753 297 HA3 GLY 40 HA3 GLY 40 -1.269 7.330 5.412 298 H TYR 41 H TYR 41 -3.701 7.854 5.050 299 HA TYR 41 HA TYR 41 -4.083 10.388 4.317 300 HB2 TYR 41 HB2 TYR 41 -5.559 8.202 4.213 301 HB3 TYR 41 HB3 TYR 41 -6.191 8.688 5.774 302 HD1 TYR 41 HD2 TYR 41 -5.801 9.911 2.260 303 HD2 TYR 41 HD1 TYR 41 -8.033 10.136 5.903 304 HE1 TYR 41 HE2 TYR 41 -7.543 11.363 1.111 305 HE2 TYR 41 HE1 TYR 41 -9.768 11.587 4.741 306 HH TYR 41 HH TYR 41 -10.249 11.736 1.705 307 H GLY 42 H GLY 42 -5.058 9.077 7.566 308 HA2 GLY 42 HA2 GLY 42 -6.104 11.388 8.642 309 HA3 GLY 42 HA3 GLY 42 -5.323 10.106 9.547 310 H ALA 43 H ALA 43 -2.674 10.180 8.841 311 HA ALA 43 HA ALA 43 -1.670 12.272 10.322 312 HB1 ALA 43 HB1 ALA 43 0.310 11.438 8.446 313 HB2 ALA 43 HB2 ALA 43 0.093 10.895 10.127 314 HB3 ALA 43 HB3 ALA 43 -0.709 10.022 8.799 315 H TYR 44 H TYR 44 -2.576 12.084 6.894 316 HA TYR 44 HA TYR 44 -1.203 14.535 6.245 317 HB2 TYR 44 HB2 TYR 44 -1.384 13.079 4.385 318 HB3 TYR 44 HB3 TYR 44 -2.851 12.340 4.997 319 HD1 TYR 44 HD1 TYR 44 -1.866 15.803 3.900 320 HD2 TYR 44 HD2 TYR 44 -4.656 12.576 3.574 321 HE1 TYR 44 HE1 TYR 44 -3.244 17.152 2.243 322 HE2 TYR 44 HE2 TYR 44 -6.025 13.936 1.918 323 HH TYR 44 HH TYR 44 -6.200 15.780 0.818 324 H ARG 45 H ARG 45 -4.425 13.468 7.289 325 HA ARG 45 HA ARG 45 -6.016 15.388 6.349 326 HB2 ARG 45 HB2 ARG 45 -6.298 13.420 8.204 327 HB3 ARG 45 HB3 ARG 45 -6.273 14.793 9.293 328 HG2 ARG 45 HG2 ARG 45 -8.329 15.549 8.605 329 HG3 ARG 45 HG3 ARG 45 -8.007 15.201 6.917 330 HD2 ARG 45 HD2 ARG 45 -9.616 13.573 7.308 331 HD3 ARG 45 HD3 ARG 45 -8.196 12.651 7.762 332 HE ARG 45 HE ARG 45 -9.084 14.076 10.070 333 HH11 ARG 45 HH22 ARG 45 -10.145 11.453 7.977 334 HH12 ARG 45 HH21 ARG 45 -11.061 10.663 9.218 335 HH21 ARG 45 HH12 ARG 45 -10.292 13.034 11.707 336 HH22 ARG 45 HH11 ARG 45 -11.145 11.569 11.353 337 H VAL 46 H VAL 46 -4.030 15.585 9.394 338 HA VAL 46 HA VAL 46 -3.071 18.078 9.118 339 HB VAL 46 HB VAL 46 -5.040 19.220 8.893 340 HG11 VAL 46 HG11 VAL 46 -6.923 18.025 9.100 341 HG12 VAL 46 HG12 VAL 46 -6.187 16.927 10.292 342 HG13 VAL 46 HG13 VAL 46 -6.900 18.469 10.823 343 HG21 VAL 46 HG21 VAL 46 -5.182 20.617 10.715 344 HG22 VAL 46 HG22 VAL 46 -5.144 19.278 11.888 345 HG23 VAL 46 HG23 VAL 46 -3.647 19.789 11.071 346 H SER 47 H SER 47 -1.577 16.523 10.186 347 HA SER 47 HA SER 47 -1.677 16.977 12.996 348 HB2 SER 47 HB2 SER 47 -2.665 14.488 11.958 349 HB3 SER 47 HB3 SER 47 -1.126 14.152 12.724 350 HG SER 47 HG SER 47 -2.190 14.223 14.573 351 H ASN 48 H ASN 48 -0.124 14.603 10.704 352 HA ASN 48 HA ASN 48 2.341 16.057 10.990 353 HB2 ASN 48 HB2 ASN 48 1.799 13.638 12.479 354 HB3 ASN 48 HB3 ASN 48 2.975 13.236 11.243 355 HD21 ASN 48 HD21 ASN 48 3.642 13.112 13.868 356 HD22 ASN 48 HD22 ASN 48 4.772 14.354 14.293 357 H ASP 49 H ASP 49 2.890 16.307 8.817 358 HA ASP 49 HA ASP 49 3.181 13.995 7.217 359 HB2 ASP 49 HB2 ASP 49 1.702 15.124 5.345 360 HB3 ASP 49 HB3 ASP 49 0.937 14.130 6.569 361 H LYS 50 H LYS 50 2.565 17.589 7.044 362 HA LYS 50 HA LYS 50 3.849 19.269 6.385 363 HB2 LYS 50 HB2 LYS 50 5.781 17.283 7.126 364 HB3 LYS 50 HB3 LYS 50 6.353 18.100 5.685 365 HG2 LYS 50 HG2 LYS 50 6.526 20.162 6.742 366 HG3 LYS 50 HG3 LYS 50 5.171 19.856 7.810 367 HD2 LYS 50 HD2 LYS 50 6.492 18.919 9.435 368 HD3 LYS 50 HD3 LYS 50 7.463 18.032 8.277 369 HE2 LYS 50 HE2 LYS 50 8.848 19.957 7.805 370 HE3 LYS 50 HE3 LYS 50 7.734 21.049 8.603 371 HZ1 LYS 50 HZ1 LYS 50 8.953 18.869 10.109 372 HZ2 LYS 50 HZ2 LYS 50 9.789 20.247 9.848 373 HZ3 LYS 50 HZ3 LYS 50 8.371 20.292 10.657 374 H ARG 51 H ARG 51 4.796 16.335 4.454 375 HA ARG 51 HA ARG 51 3.581 17.593 2.180 376 HB2 ARG 51 HB2 ARG 51 6.506 17.413 2.575 377 HB3 ARG 51 HB3 ARG 51 5.997 16.641 1.086 378 HG2 ARG 51 HG2 ARG 51 4.932 18.667 0.287 379 HG3 ARG 51 HG3 ARG 51 5.056 19.436 1.856 380 HD2 ARG 51 HD2 ARG 51 7.510 18.566 0.263 381 HD3 ARG 51 HD3 ARG 51 6.797 20.157 0.095 382 HE ARG 51 HE ARG 51 8.424 19.228 2.308 383 HH11 ARG 51 HH22 ARG 51 5.763 21.385 1.502 384 HH12 ARG 51 HH21 ARG 51 6.055 22.451 2.835 385 HH21 ARG 51 HH12 ARG 51 8.810 20.634 4.068 386 HH22 ARG 51 HH11 ARG 51 7.800 22.022 4.304 387 H ASP 52 H ASP 52 2.222 15.954 1.515 388 HA ASP 52 HA ASP 52 2.646 13.305 2.199 389 HB2 ASP 52 HB2 ASP 52 0.788 14.848 0.436 390 HB3 ASP 52 HB3 ASP 52 0.947 13.149 0.037 391 H VAL 53 H VAL 53 4.652 12.452 1.428 392 HA VAL 53 HA VAL 53 4.754 11.496 -1.171 393 HB VAL 53 HB VAL 53 5.074 13.713 -1.951 394 HG11 VAL 53 HG11 VAL 53 5.707 14.726 0.227 395 HG12 VAL 53 HG12 VAL 53 7.336 14.029 0.051 396 HG13 VAL 53 HG13 VAL 53 6.759 15.248 -1.112 397 HG21 VAL 53 HG21 VAL 53 7.861 12.530 -1.807 398 HG22 VAL 53 HG22 VAL 53 6.572 11.880 -2.848 399 HG23 VAL 53 HG23 VAL 53 7.161 13.542 -3.094 400 H LYS 54 H LYS 54 6.539 12.691 1.709 401 HA LYS 54 HA LYS 54 8.562 10.663 1.363 402 HB2 LYS 54 HB2 LYS 54 9.400 11.651 3.547 403 HB3 LYS 54 HB3 LYS 54 9.393 12.714 2.155 404 HG2 LYS 54 HG2 LYS 54 7.472 13.911 2.916 405 HG3 LYS 54 HG3 LYS 54 7.002 12.638 4.025 406 HD2 LYS 54 HD2 LYS 54 9.606 14.191 4.347 407 HD3 LYS 54 HD3 LYS 54 8.101 14.734 5.063 408 HE2 LYS 54 HE2 LYS 54 8.800 11.867 5.565 409 HE3 LYS 54 HE3 LYS 54 9.861 13.042 6.316 410 HZ1 LYS 54 HZ1 LYS 54 7.842 14.112 7.200 411 HZ2 LYS 54 HZ2 LYS 54 6.946 12.875 6.622 412 HZ3 LYS 54 HZ3 LYS 54 8.075 12.599 7.769 413 H VAL 55 H VAL 55 5.686 11.346 3.406 414 HA VAL 55 HA VAL 55 5.915 9.514 5.358 415 HB VAL 55 HB VAL 55 3.538 10.312 3.683 416 HG11 VAL 55 HG11 VAL 55 2.706 9.374 6.245 417 HG12 VAL 55 HG12 VAL 55 2.277 8.742 4.637 418 HG13 VAL 55 HG13 VAL 55 3.700 8.103 5.494 419 HG21 VAL 55 HG21 VAL 55 3.064 11.440 6.033 420 HG22 VAL 55 HG22 VAL 55 4.829 11.287 6.206 421 HG23 VAL 55 HG23 VAL 55 4.144 12.204 4.842 422 H SER 56 H SER 56 4.504 8.822 2.075 423 HA SER 56 HA SER 56 4.104 6.178 2.412 424 HB2 SER 56 HB2 SER 56 4.412 8.023 0.173 425 HB3 SER 56 HB3 SER 56 5.085 6.459 -0.241 426 HG SER 56 HG SER 56 2.404 7.197 0.278 427 H LEU 57 H LEU 57 7.150 7.877 1.461 428 HA LEU 57 HA LEU 57 8.678 5.655 0.878 429 HB2 LEU 57 HB2 LEU 57 9.023 8.430 1.153 430 HB3 LEU 57 HB3 LEU 57 10.205 7.703 2.222 431 HG LEU 57 HG LEU 57 10.059 6.503 -0.480 432 HD11 LEU 57 HD11 LEU 57 11.135 9.313 -0.116 433 HD12 LEU 57 HD12 LEU 57 11.275 8.306 -1.577 434 HD13 LEU 57 HD13 LEU 57 9.676 8.863 -1.030 435 HD21 LEU 57 HD21 LEU 57 12.656 7.129 -0.025 436 HD22 LEU 57 HD22 LEU 57 12.047 7.026 1.644 437 HD23 LEU 57 HD23 LEU 57 11.867 5.638 0.543 438 H PHE 58 H PHE 58 7.881 7.189 4.033 439 HA PHE 58 HA PHE 58 9.620 5.472 5.486 440 HB2 PHE 58 HB2 PHE 58 7.529 7.593 5.911 441 HB3 PHE 58 HB3 PHE 58 7.682 6.461 7.240 442 HD1 PHE 58 HD1 PHE 58 9.946 8.432 5.006 443 HD2 PHE 58 HD2 PHE 58 9.103 7.074 8.937 444 HE1 PHE 58 HE1 PHE 58 11.920 9.717 5.873 445 HE2 PHE 58 HE2 PHE 58 11.077 8.360 9.804 446 HZ PHE 58 HZ PHE 58 12.462 9.666 8.262 447 H THR 59 H THR 59 6.365 5.233 4.186 448 HA THR 59 HA THR 59 5.440 3.281 6.054 449 HB THR 59 HB THR 59 4.532 4.370 3.353 450 HG1 THR 59 HG1 THR 59 4.103 5.695 5.179 451 HG21 THR 59 HG21 THR 59 2.375 3.151 3.805 452 HG22 THR 59 HG22 THR 59 3.711 2.027 3.456 453 HG23 THR 59 HG23 THR 59 3.175 2.278 5.135 454 H ALA 60 H ALA 60 6.584 3.096 2.616 455 HA ALA 60 HA ALA 60 6.511 0.278 2.595 456 HB1 ALA 60 HB1 ALA 60 7.575 0.506 0.449 457 HB2 ALA 60 HB2 ALA 60 6.434 1.862 0.615 458 HB3 ALA 60 HB3 ALA 60 8.177 2.131 0.853 459 H PHE 61 H PHE 61 9.021 2.735 3.365 460 HA PHE 61 HA PHE 61 11.203 1.040 3.437 461 HB2 PHE 61 HB2 PHE 61 11.455 3.457 3.577 462 HB3 PHE 61 HB3 PHE 61 10.304 3.576 4.893 463 HD1 PHE 61 HD2 PHE 61 13.639 2.091 4.123 464 HD2 PHE 61 HD1 PHE 61 11.096 3.809 7.054 465 HE1 PHE 61 HE2 PHE 61 15.526 2.062 5.777 466 HE2 PHE 61 HE1 PHE 61 12.984 3.780 8.708 467 HZ PHE 61 HZ PHE 61 15.176 2.907 8.050 468 H PHE 62 H PHE 62 9.071 2.114 6.186 469 HA PHE 62 HA PHE 62 10.315 0.502 8.085 470 HB2 PHE 62 HB2 PHE 62 8.839 2.375 8.674 471 HB3 PHE 62 HB3 PHE 62 7.533 1.732 7.700 472 HD1 PHE 62 HD2 PHE 62 9.384 1.343 10.853 473 HD2 PHE 62 HD1 PHE 62 6.051 0.055 8.564 474 HE1 PHE 62 HE2 PHE 62 8.431 0.208 12.879 475 HE2 PHE 62 HE1 PHE 62 5.098 -1.080 10.590 476 HZ PHE 62 HZ PHE 62 6.300 -0.989 12.723 477 H LEU 63 H LEU 63 7.645 -0.117 5.770 478 HA LEU 63 HA LEU 63 6.686 -2.458 6.912 479 HB2 LEU 63 HB2 LEU 63 6.387 -0.959 4.480 480 HB3 LEU 63 HB3 LEU 63 6.499 -2.666 4.101 481 HG LEU 63 HG LEU 63 4.687 -3.015 5.896 482 HD11 LEU 63 HD11 LEU 63 4.421 -0.025 5.487 483 HD12 LEU 63 HD12 LEU 63 3.199 -1.065 6.257 484 HD13 LEU 63 HD13 LEU 63 4.803 -0.875 7.003 485 HD21 LEU 63 HD21 LEU 63 4.325 -3.265 3.479 486 HD22 LEU 63 HD22 LEU 63 2.900 -2.587 4.302 487 HD23 LEU 63 HD23 LEU 63 3.970 -1.525 3.356 488 H ALA 64 H ALA 64 9.036 -2.113 4.154 489 HA ALA 64 HA ALA 64 9.705 -4.768 3.975 490 HB1 ALA 64 HB1 ALA 64 11.581 -4.011 2.709 491 HB2 ALA 64 HB2 ALA 64 10.308 -2.792 2.460 492 HB3 ALA 64 HB3 ALA 64 11.646 -2.465 3.588 493 H THR 65 H THR 65 11.270 -2.169 5.970 494 HA THR 65 HA THR 65 13.229 -3.763 7.113 495 HB THR 65 HB THR 65 11.703 -1.298 8.092 496 HG1 THR 65 HG1 THR 65 13.692 -0.361 7.203 497 HG21 THR 65 HG21 THR 65 14.461 -1.600 9.028 498 HG22 THR 65 HG22 THR 65 12.995 -1.254 9.977 499 HG23 THR 65 HG23 THR 65 13.452 -2.939 9.626 500 H ILE 66 H ILE 66 9.756 -3.580 7.771 501 HA ILE 66 HA ILE 66 10.032 -4.985 10.264 502 HB ILE 66 HB ILE 66 7.780 -3.888 8.631 503 HG12 ILE 66 HG12 ILE 66 8.993 -2.429 10.198 504 HG13 ILE 66 HG13 ILE 66 7.310 -2.633 10.644 505 HG21 ILE 66 HG21 ILE 66 6.235 -4.841 10.419 506 HG22 ILE 66 HG22 ILE 66 6.826 -5.969 9.175 507 HG23 ILE 66 HG23 ILE 66 7.552 -5.976 10.800 508 HD11 ILE 66 HD11 ILE 66 9.771 -3.807 11.958 509 HD12 ILE 66 HD12 ILE 66 8.415 -2.927 12.702 510 HD13 ILE 66 HD13 ILE 66 8.192 -4.606 12.153 511 H MET 67 H MET 67 9.544 -5.703 6.830 512 HA MET 67 HA MET 67 8.649 -8.353 7.362 513 HB2 MET 67 HB2 MET 67 8.951 -6.531 5.085 514 HB3 MET 67 HB3 MET 67 9.624 -8.096 4.672 515 HG2 MET 67 HG2 MET 67 7.568 -9.125 4.660 516 HG3 MET 67 HG3 MET 67 7.021 -8.274 6.092 517 HE1 MET 67 HE1 MET 67 4.568 -7.919 3.179 518 HE2 MET 67 HE2 MET 67 5.072 -8.796 4.644 519 HE3 MET 67 HE3 MET 67 4.296 -7.200 4.785 520 H GLY 68 H GLY 68 11.590 -6.991 5.693 521 HA2 GLY 68 HA2 GLY 68 13.764 -7.693 6.490 522 HA3 GLY 68 HA3 GLY 68 13.109 -9.296 6.758 523 H VAL 69 H VAL 69 15.342 -8.137 4.943 524 HA VAL 69 HA VAL 69 16.237 -8.716 3.003 525 HB VAL 69 HB VAL 69 13.826 -10.460 2.497 526 HG11 VAL 69 HG11 VAL 69 15.630 -9.967 0.697 527 HG12 VAL 69 HG12 VAL 69 16.675 -11.020 1.681 528 HG13 VAL 69 HG13 VAL 69 15.160 -11.657 0.998 529 HG21 VAL 69 HG21 VAL 69 16.234 -10.944 4.262 530 HG22 VAL 69 HG22 VAL 69 14.508 -11.123 4.658 531 HG23 VAL 69 HG23 VAL 69 15.292 -12.277 3.552 532 H ARG 70 H ARG 70 15.793 -6.400 2.554 533 HA ARG 70 HA ARG 70 13.617 -5.332 1.512 534 HB2 ARG 70 HB2 ARG 70 16.285 -4.595 1.685 535 HB3 ARG 70 HB3 ARG 70 16.063 -4.636 -0.053 536 HG2 ARG 70 HG2 ARG 70 14.070 -3.201 1.740 537 HG3 ARG 70 HG3 ARG 70 15.541 -2.406 1.215 538 HD2 ARG 70 HD2 ARG 70 14.708 -2.045 -0.876 539 HD3 ARG 70 HD3 ARG 70 14.216 -3.718 -1.049 540 HE ARG 70 HE ARG 70 12.346 -2.647 0.719 541 HH11 ARG 70 HH22 ARG 70 13.447 -1.839 -2.524 542 HH12 ARG 70 HH21 ARG 70 11.930 -1.157 -3.007 543 HH21 ARG 70 HH12 ARG 70 10.344 -1.748 0.082 544 HH22 ARG 70 HH11 ARG 70 10.153 -1.105 -1.515 545 H PHE 71 H PHE 71 16.279 -6.459 -0.707 546 HA PHE 71 HA PHE 71 14.508 -6.611 -2.908 547 HB2 PHE 71 HB2 PHE 71 16.594 -7.661 -3.944 548 HB3 PHE 71 HB3 PHE 71 16.930 -6.145 -3.131 549 HD1 PHE 71 HD2 PHE 71 18.175 -6.107 -1.031 550 HD2 PHE 71 HD1 PHE 71 17.410 -9.762 -3.049 551 HE1 PHE 71 HE2 PHE 71 19.924 -7.244 0.365 552 HE2 PHE 71 HE1 PHE 71 19.160 -10.898 -1.653 553 HZ PHE 71 HZ PHE 71 20.395 -9.626 0.037 554 H LYS 72 H LYS 72 12.895 -8.121 -2.985 555 HA LYS 72 HA LYS 72 12.881 -10.498 -1.586 556 HB2 LYS 72 HB2 LYS 72 11.121 -11.125 -3.380 557 HB3 LYS 72 HB3 LYS 72 10.808 -9.772 -2.311 558 HG2 LYS 72 HG2 LYS 72 10.792 -8.287 -4.036 559 HG3 LYS 72 HG3 LYS 72 12.307 -8.896 -4.673 560 HD2 LYS 72 HD2 LYS 72 10.222 -10.871 -5.133 561 HD3 LYS 72 HD3 LYS 72 9.674 -9.313 -5.717 562 HE2 LYS 72 HE2 LYS 72 12.387 -10.528 -6.425 563 HE3 LYS 72 HE3 LYS 72 10.960 -10.683 -7.431 564 HZ1 LYS 72 HZ1 LYS 72 12.350 -8.205 -6.706 565 HZ2 LYS 72 HZ2 LYS 72 12.158 -8.843 -8.197 566 HZ3 LYS 72 HZ3 LYS 72 10.875 -8.211 -7.407 567 H ARG 73 H ARG 73 14.029 -9.756 -4.923 568 HA ARG 73 HA ARG 73 14.972 -11.045 -6.423 569 HB2 ARG 73 HB2 ARG 73 16.845 -10.360 -4.870 570 HB3 ARG 73 HB3 ARG 73 16.659 -11.873 -4.007 571 HG2 ARG 73 HG2 ARG 73 17.316 -13.171 -5.951 572 HG3 ARG 73 HG3 ARG 73 17.204 -11.775 -7.005 573 HD2 ARG 73 HD2 ARG 73 19.357 -11.212 -6.556 574 HD3 ARG 73 HD3 ARG 73 19.011 -11.120 -4.841 575 HE ARG 73 HE ARG 73 19.205 -13.879 -5.549 576 HH11 ARG 73 HH22 ARG 73 21.257 -11.033 -5.288 577 HH12 ARG 73 HH21 ARG 73 22.693 -11.942 -4.950 578 HH21 ARG 73 HH12 ARG 73 21.098 -15.079 -5.103 579 HH22 ARG 73 HH11 ARG 73 22.601 -14.259 -4.844 580 H SER 74 H SER 74 12.809 -12.424 -6.224 581 HA SER 74 HA SER 74 13.584 -15.098 -6.426 582 HB2 SER 74 HB2 SER 74 13.243 -14.484 -3.800 583 HB3 SER 74 HB3 SER 74 11.579 -14.851 -4.209 584 HG SER 74 HG SER 74 13.499 -16.696 -5.168 585 H LYS 75 H LYS 75 12.463 -15.221 -8.372 586 HA LYS 75 HA LYS 75 10.797 -14.949 -9.840 587 HB2 LYS 75 HB2 LYS 75 10.351 -17.030 -8.247 588 HB3 LYS 75 HB3 LYS 75 8.922 -16.112 -7.817 589 HG2 LYS 75 HG2 LYS 75 8.714 -15.834 -10.483 590 HG3 LYS 75 HG3 LYS 75 9.693 -17.287 -10.489 591 HD2 LYS 75 HD2 LYS 75 8.034 -18.442 -9.043 592 HD3 LYS 75 HD3 LYS 75 7.070 -16.982 -8.952 593 HE2 LYS 75 HE2 LYS 75 6.114 -17.357 -10.990 594 HE3 LYS 75 HE3 LYS 75 7.658 -17.702 -11.743 595 HZ1 LYS 75 HZ1 LYS 75 6.997 -19.786 -10.011 596 HZ2 LYS 75 HZ2 LYS 75 5.723 -19.506 -10.994 597 HZ3 LYS 75 HZ3 LYS 75 7.190 -19.834 -11.632 598 H LYS 76 H LYS 76 10.637 -12.683 -10.050 599 HA LYS 76 HA LYS 76 9.107 -11.166 -8.197 600 HB2 LYS 76 HB2 LYS 76 9.460 -9.334 -9.802 601 HB3 LYS 76 HB3 LYS 76 10.951 -10.159 -9.396 602 HG2 LYS 76 HG2 LYS 76 11.312 -10.647 -11.579 603 HG3 LYS 76 HG3 LYS 76 9.797 -11.524 -11.658 604 HD2 LYS 76 HD2 LYS 76 9.076 -9.907 -13.084 605 HD3 LYS 76 HD3 LYS 76 8.953 -8.860 -11.684 606 HE2 LYS 76 HE2 LYS 76 11.707 -8.826 -12.395 607 HE3 LYS 76 HE3 LYS 76 10.841 -8.735 -13.916 608 HZ1 LYS 76 HZ1 LYS 76 10.252 -7.012 -11.611 609 HZ2 LYS 76 HZ2 LYS 76 11.229 -6.579 -12.845 610 HZ3 LYS 76 HZ3 LYS 76 9.645 -6.867 -13.120 611 H ILE 77 H ILE 77 6.951 -11.415 -7.961 612 HA ILE 77 HA ILE 77 5.202 -10.889 -10.056 613 HB ILE 77 HB ILE 77 5.724 -12.950 -11.050 614 HG12 ILE 77 HG12 ILE 77 3.297 -13.839 -9.556 615 HG13 ILE 77 HG13 ILE 77 3.205 -12.309 -10.405 616 HG21 ILE 77 HG21 ILE 77 6.581 -13.780 -8.604 617 HG22 ILE 77 HG22 ILE 77 5.082 -14.724 -8.783 618 HG23 ILE 77 HG23 ILE 77 6.359 -14.839 -10.017 619 HD11 ILE 77 HD11 ILE 77 3.967 -15.007 -11.608 620 HD12 ILE 77 HD12 ILE 77 2.483 -14.076 -11.921 621 HD13 ILE 77 HD13 ILE 77 4.054 -13.464 -12.490 622 H MET 78 H MET 78 5.295 -13.215 -7.259 623 HA MET 78 HA MET 78 2.865 -12.091 -6.289 624 HB2 MET 78 HB2 MET 78 4.354 -14.514 -5.993 625 HB3 MET 78 HB3 MET 78 4.338 -13.796 -4.394 626 HG2 MET 78 HG2 MET 78 1.889 -14.396 -6.122 627 HG3 MET 78 HG3 MET 78 2.372 -15.263 -4.678 628 HE1 MET 78 HE1 MET 78 -0.793 -13.801 -4.055 629 HE2 MET 78 HE2 MET 78 0.327 -15.174 -3.887 630 HE3 MET 78 HE3 MET 78 0.052 -14.077 -2.513 631 HA PRO 79 HA PRO 79 5.862 -10.542 -2.955 632 HB2 PRO 79 HB2 PRO 79 8.561 -10.783 -3.314 633 HB3 PRO 79 HB3 PRO 79 7.610 -11.931 -2.393 634 HG2 PRO 79 HG2 PRO 79 8.748 -12.221 -5.106 635 HG3 PRO 79 HG3 PRO 79 8.178 -13.469 -4.016 636 HD2 PRO 79 HD2 PRO 79 6.807 -12.443 -6.317 637 HD3 PRO 79 HD3 PRO 79 6.189 -13.606 -5.161 638 H ALA 80 H ALA 80 7.375 -10.225 -6.118 639 HA ALA 80 HA ALA 80 8.261 -7.618 -5.756 640 HB1 ALA 80 HB1 ALA 80 8.155 -7.594 -8.303 641 HB2 ALA 80 HB2 ALA 80 9.071 -8.939 -7.583 642 HB3 ALA 80 HB3 ALA 80 7.425 -9.214 -8.203 643 H GLY 81 H GLY 81 5.123 -8.921 -7.003 644 HA2 GLY 81 HA2 GLY 81 3.802 -6.811 -7.921 645 HA3 GLY 81 HA3 GLY 81 3.061 -7.965 -6.831 646 H LEU 82 H LEU 82 4.439 -7.425 -4.403 647 HA LEU 82 HA LEU 82 2.958 -5.420 -3.319 648 HB2 LEU 82 HB2 LEU 82 4.784 -7.250 -2.439 649 HB3 LEU 82 HB3 LEU 82 5.637 -5.747 -2.148 650 HG LEU 82 HG LEU 82 3.546 -4.947 -0.918 651 HD11 LEU 82 HD11 LEU 82 2.045 -6.670 -0.042 652 HD12 LEU 82 HD12 LEU 82 1.972 -6.583 -1.819 653 HD13 LEU 82 HD13 LEU 82 2.871 -7.900 -1.028 654 HD21 LEU 82 HD21 LEU 82 5.313 -7.178 0.084 655 HD22 LEU 82 HD22 LEU 82 5.440 -5.428 0.381 656 HD23 LEU 82 HD23 LEU 82 4.124 -6.364 1.130 657 H VAL 83 H VAL 83 6.450 -5.143 -4.304 658 HA VAL 83 HA VAL 83 6.580 -2.394 -3.905 659 HB VAL 83 HB VAL 83 8.614 -2.518 -5.216 660 HG11 VAL 83 HG11 VAL 83 8.957 -5.106 -3.914 661 HG12 VAL 83 HG12 VAL 83 9.675 -3.525 -3.522 662 HG13 VAL 83 HG13 VAL 83 8.067 -3.953 -2.890 663 HG21 VAL 83 HG21 VAL 83 9.126 -4.103 -6.757 664 HG22 VAL 83 HG22 VAL 83 8.340 -5.409 -5.838 665 HG23 VAL 83 HG23 VAL 83 7.358 -4.297 -6.821 666 H ALA 84 H ALA 84 5.246 -4.359 -6.531 667 HA ALA 84 HA ALA 84 5.266 -2.343 -8.500 668 HB1 ALA 84 HB1 ALA 84 3.125 -4.422 -8.492 669 HB2 ALA 84 HB2 ALA 84 4.250 -3.943 -9.786 670 HB3 ALA 84 HB3 ALA 84 4.805 -5.009 -8.474 671 H GLY 85 H GLY 85 3.098 -3.194 -5.793 672 HA2 GLY 85 HA2 GLY 85 0.929 -1.545 -6.652 673 HA3 GLY 85 HA3 GLY 85 1.159 -2.279 -5.077 674 H LEU 86 H LEU 86 3.511 -1.232 -4.105 675 HA LEU 86 HA LEU 86 2.768 1.235 -3.160 676 HB2 LEU 86 HB2 LEU 86 4.790 -0.585 -2.721 677 HB3 LEU 86 HB3 LEU 86 5.660 0.814 -3.317 678 HG LEU 86 HG LEU 86 5.601 0.898 -0.923 679 HD11 LEU 86 HD11 LEU 86 5.174 3.006 -2.374 680 HD12 LEU 86 HD12 LEU 86 3.532 2.939 -1.690 681 HD13 LEU 86 HD13 LEU 86 4.939 3.097 -0.612 682 HD21 LEU 86 HD21 LEU 86 2.631 1.127 -0.756 683 HD22 LEU 86 HD22 LEU 86 3.341 -0.493 -0.953 684 HD23 LEU 86 HD23 LEU 86 3.808 0.521 0.434 685 H SER 87 H SER 87 4.971 0.423 -5.916 686 HA SER 87 HA SER 87 5.628 3.037 -6.497 687 HB2 SER 87 HB2 SER 87 5.644 0.430 -7.994 688 HB3 SER 87 HB3 SER 87 5.851 1.894 -8.933 689 HG SER 87 HG SER 87 7.764 0.631 -7.687 690 H LEU 88 H LEU 88 3.081 0.869 -7.927 691 HA LEU 88 HA LEU 88 2.032 2.552 -9.777 692 HB2 LEU 88 HB2 LEU 88 1.273 0.170 -8.409 693 HB3 LEU 88 HB3 LEU 88 -0.122 1.230 -8.461 694 HG LEU 88 HG LEU 88 1.019 1.292 -11.056 695 HD11 LEU 88 HD11 LEU 88 2.250 -0.669 -10.844 696 HD12 LEU 88 HD12 LEU 88 1.022 -1.453 -9.822 697 HD13 LEU 88 HD13 LEU 88 0.718 -1.224 -11.561 698 HD21 LEU 88 HD21 LEU 88 -1.225 1.546 -11.117 699 HD22 LEU 88 HD22 LEU 88 -1.189 -0.215 -11.379 700 HD23 LEU 88 HD23 LEU 88 -1.504 0.436 -9.753 701 H MET 89 H MET 89 1.261 2.438 -6.241 702 HA MET 89 HA MET 89 -0.677 4.376 -6.288 703 HB2 MET 89 HB2 MET 89 -0.060 2.872 -4.347 704 HB3 MET 89 HB3 MET 89 1.418 3.787 -4.120 705 HG2 MET 89 HG2 MET 89 0.240 5.143 -2.722 706 HG3 MET 89 HG3 MET 89 -0.568 5.776 -4.143 707 HE1 MET 89 HE1 MET 89 -2.422 3.821 -0.721 708 HE2 MET 89 HE2 MET 89 -1.000 2.878 -1.227 709 HE3 MET 89 HE3 MET 89 -0.852 4.629 -0.945 710 H MET 90 H MET 90 2.861 4.760 -5.515 711 HA MET 90 HA MET 90 2.875 7.431 -5.121 712 HB2 MET 90 HB2 MET 90 4.754 5.348 -5.487 713 HB3 MET 90 HB3 MET 90 5.174 6.493 -6.745 714 HG2 MET 90 HG2 MET 90 4.622 7.792 -4.137 715 HG3 MET 90 HG3 MET 90 5.962 6.664 -4.071 716 HE1 MET 90 HE1 MET 90 7.911 6.639 -5.317 717 HE2 MET 90 HE2 MET 90 7.512 6.947 -7.024 718 HE3 MET 90 HE3 MET 90 8.665 8.004 -6.174 719 H ILE 91 H ILE 91 3.444 5.731 -8.289 720 HA ILE 91 HA ILE 91 3.811 7.922 -9.865 721 HB ILE 91 HB ILE 91 2.476 5.279 -10.427 722 HG12 ILE 91 HG12 ILE 91 5.244 6.253 -11.172 723 HG13 ILE 91 HG13 ILE 91 4.902 5.370 -9.698 724 HG21 ILE 91 HG21 ILE 91 3.245 7.477 -12.361 725 HG22 ILE 91 HG22 ILE 91 2.929 5.792 -12.837 726 HG23 ILE 91 HG23 ILE 91 1.635 6.765 -12.098 727 HD11 ILE 91 HD11 ILE 91 3.638 3.964 -11.876 728 HD12 ILE 91 HD12 ILE 91 5.323 4.313 -12.331 729 HD13 ILE 91 HD13 ILE 91 4.972 3.416 -10.834 730 H LEU 92 H LEU 92 0.623 6.247 -9.339 731 HA LEU 92 HA LEU 92 -0.917 8.120 -10.625 732 HB2 LEU 92 HB2 LEU 92 -1.398 5.773 -9.515 733 HB3 LEU 92 HB3 LEU 92 -1.940 6.759 -8.172 734 HG LEU 92 HG LEU 92 -3.180 7.908 -10.399 735 HD11 LEU 92 HD11 LEU 92 -4.416 5.785 -11.249 736 HD12 LEU 92 HD12 LEU 92 -2.828 6.209 -11.932 737 HD13 LEU 92 HD13 LEU 92 -2.954 4.927 -10.704 738 HD21 LEU 92 HD21 LEU 92 -5.085 7.559 -9.212 739 HD22 LEU 92 HD22 LEU 92 -4.671 5.874 -8.817 740 HD23 LEU 92 HD23 LEU 92 -3.903 7.211 -7.927 741 H ARG 93 H ARG 93 0.651 8.244 -7.451 742 HA ARG 93 HA ARG 93 -0.928 10.261 -6.390 743 HB2 ARG 93 HB2 ARG 93 1.258 8.714 -5.551 744 HB3 ARG 93 HB3 ARG 93 1.925 10.334 -5.585 745 HG2 ARG 93 HG2 ARG 93 -0.774 10.254 -4.383 746 HG3 ARG 93 HG3 ARG 93 0.367 9.236 -3.528 747 HD2 ARG 93 HD2 ARG 93 0.948 11.183 -2.460 748 HD3 ARG 93 HD3 ARG 93 1.918 11.473 -3.890 749 HE ARG 93 HE ARG 93 0.470 13.209 -4.461 750 HH11 ARG 93 HH22 ARG 93 -1.216 11.011 -2.292 751 HH12 ARG 93 HH21 ARG 93 -2.632 12.002 -2.182 752 HH21 ARG 93 HH12 ARG 93 -1.398 14.517 -4.316 753 HH22 ARG 93 HH11 ARG 93 -2.737 14.010 -3.341 754 H LEU 94 H LEU 94 2.071 10.259 -8.394 755 HA LEU 94 HA LEU 94 2.808 12.874 -8.218 756 HB2 LEU 94 HB2 LEU 94 3.594 10.713 -9.640 757 HB3 LEU 94 HB3 LEU 94 2.874 11.671 -10.919 758 HG LEU 94 HG LEU 94 5.241 12.102 -10.816 759 HD11 LEU 94 HD11 LEU 94 4.205 14.615 -9.593 760 HD12 LEU 94 HD12 LEU 94 5.141 14.359 -11.086 761 HD13 LEU 94 HD13 LEU 94 3.397 14.004 -11.057 762 HD21 LEU 94 HD21 LEU 94 5.718 13.507 -8.457 763 HD22 LEU 94 HD22 LEU 94 4.792 12.075 -7.948 764 HD23 LEU 94 HD23 LEU 94 6.299 11.878 -8.874 765 H VAL 95 H VAL 95 0.901 11.679 -11.061 766 HA VAL 95 HA VAL 95 0.053 14.105 -11.928 767 HB VAL 95 HB VAL 95 -0.240 12.112 -13.202 768 HG11 VAL 95 HG11 VAL 95 -0.589 10.455 -11.504 769 HG12 VAL 95 HG12 VAL 95 -2.115 11.216 -10.992 770 HG13 VAL 95 HG13 VAL 95 -2.004 10.425 -12.583 771 HG21 VAL 95 HG21 VAL 95 -2.212 12.663 -14.226 772 HG22 VAL 95 HG22 VAL 95 -3.109 12.780 -12.693 773 HG23 VAL 95 HG23 VAL 95 -2.020 14.097 -13.190 774 H LEU 96 H LEU 96 -1.265 12.108 -9.256 775 HA LEU 96 HA LEU 96 -3.652 13.339 -8.828 776 HB2 LEU 96 HB2 LEU 96 -1.973 11.553 -7.489 777 HB3 LEU 96 HB3 LEU 96 -2.240 12.852 -6.343 778 HG LEU 96 HG LEU 96 -4.719 12.003 -7.644 779 HD11 LEU 96 HD11 LEU 96 -4.169 9.807 -7.753 780 HD12 LEU 96 HD12 LEU 96 -2.911 9.938 -6.500 781 HD13 LEU 96 HD13 LEU 96 -4.628 9.866 -6.035 782 HD21 LEU 96 HD21 LEU 96 -5.548 11.989 -5.368 783 HD22 LEU 96 HD22 LEU 96 -3.890 12.093 -4.731 784 HD23 LEU 96 HD23 LEU 96 -4.575 13.452 -5.652 785 H LEU 97 H LEU 97 -0.357 14.531 -8.115 786 HA LEU 97 HA LEU 97 -0.774 16.533 -6.390 787 HB2 LEU 97 HB2 LEU 97 1.318 15.798 -7.692 788 HB3 LEU 97 HB3 LEU 97 0.826 16.969 -8.899 789 HG LEU 97 HG LEU 97 1.149 17.783 -6.016 790 HD11 LEU 97 HD11 LEU 97 3.224 16.655 -7.498 791 HD12 LEU 97 HD12 LEU 97 3.467 18.413 -7.644 792 HD13 LEU 97 HD13 LEU 97 3.368 17.659 -6.035 793 HD21 LEU 97 HD21 LEU 97 1.496 19.350 -8.584 794 HD22 LEU 97 HD22 LEU 97 0.002 19.300 -7.617 795 HD23 LEU 97 HD23 LEU 97 1.491 19.985 -6.921 796 H LEU 98 H LEU 98 -1.619 16.553 -9.897 797 HA LEU 98 HA LEU 98 -2.588 19.228 -9.787 798 HB2 LEU 98 HB2 LEU 98 -2.286 17.081 -11.770 799 HB3 LEU 98 HB3 LEU 98 -3.689 18.100 -12.024 800 HG LEU 98 HG LEU 98 -1.853 20.028 -11.644 801 HD11 LEU 98 HD11 LEU 98 0.227 19.367 -12.867 802 HD12 LEU 98 HD12 LEU 98 0.036 18.610 -11.267 803 HD13 LEU 98 HD13 LEU 98 -0.300 17.672 -12.742 804 HD21 LEU 98 HD21 LEU 98 -3.351 19.052 -13.752 805 HD22 LEU 98 HD22 LEU 98 -2.387 20.548 -13.745 806 HD23 LEU 98 HD23 LEU 98 -1.689 19.043 -14.389 807 H LEU 99 H LEU 99 -4.074 15.931 -9.765 808 HA LEU 99 HA LEU 99 -6.705 16.654 -9.832 809 HB2 LEU 99 HB2 LEU 99 -5.252 14.350 -9.469 810 HB3 LEU 99 HB3 LEU 99 -6.090 14.503 -7.937 811 HG LEU 99 HG LEU 99 -8.249 14.707 -9.213 812 HD11 LEU 99 HD11 LEU 99 -6.853 13.575 -11.612 813 HD12 LEU 99 HD12 LEU 99 -8.421 14.408 -11.488 814 HD13 LEU 99 HD13 LEU 99 -6.908 15.338 -11.372 815 HD21 LEU 99 HD21 LEU 99 -6.536 12.276 -9.085 816 HD22 LEU 99 HD22 LEU 99 -8.103 12.626 -8.316 817 HD23 LEU 99 HD23 LEU 99 -8.037 12.178 -10.037
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