NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559946 | 2lq9 | 18299 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -16.256 -20.018 -21.153 2 H2 MET 1 HT2 MET 1 -15.782 -20.203 -22.775 3 H3 MET 1 HT3 MET 1 -17.220 -19.380 -22.394 4 HA MET 1 HA MET 1 -15.415 -17.977 -20.983 5 HB2 MET 1 HB2 MET 1 -14.120 -19.218 -23.384 6 HB3 MET 1 HB1 MET 1 -13.714 -17.551 -22.974 7 HG2 MET 1 HG2 MET 1 -13.314 -18.418 -20.581 8 HG3 MET 1 HG1 MET 1 -13.337 -20.031 -21.292 9 HE1 MET 1 HE1 MET 1 -11.386 -21.165 -22.175 10 HE2 MET 1 HE2 MET 1 -10.285 -20.419 -23.330 11 HE3 MET 1 HE3 MET 1 -12.018 -20.422 -23.650 12 HA PRO 2 HA PRO 2 -18.292 -15.869 -23.914 13 HB2 PRO 2 HB2 PRO 2 -19.763 -14.579 -22.027 14 HB3 PRO 2 HB1 PRO 2 -20.089 -16.253 -22.515 15 HG2 PRO 2 HG2 PRO 2 -18.723 -15.219 -20.091 16 HG3 PRO 2 HG1 PRO 2 -19.789 -16.619 -20.278 17 HD2 PRO 2 HD2 PRO 2 -17.015 -16.755 -20.143 18 HD3 PRO 2 HD1 PRO 2 -18.057 -18.012 -20.844 19 H LYS 3 HN LYS 3 -18.154 -13.740 -24.633 20 HA LYS 3 HA LYS 3 -16.262 -12.015 -23.161 21 HB2 LYS 3 HB2 LYS 3 -16.951 -12.123 -26.104 22 HB3 LYS 3 HB1 LYS 3 -15.899 -10.910 -25.372 23 HG2 LYS 3 HG2 LYS 3 -14.160 -12.347 -25.247 24 HG3 LYS 3 HG1 LYS 3 -15.176 -13.638 -24.603 25 HD2 LYS 3 HD2 LYS 3 -15.842 -14.350 -26.759 26 HD3 LYS 3 HD1 LYS 3 -15.296 -12.851 -27.514 27 HE2 LYS 3 HE2 LYS 3 -12.942 -13.470 -26.827 28 HE3 LYS 3 HE1 LYS 3 -13.570 -15.045 -26.339 29 HZ1 LYS 3 HZ1 LYS 3 -12.733 -14.384 -28.831 30 HZ2 LYS 3 HZ2 LYS 3 -14.421 -14.247 -28.961 31 HZ3 LYS 3 HZ3 LYS 3 -13.722 -15.707 -28.445 32 H HIS 4 HN HIS 4 -16.817 -9.953 -22.625 33 HA HIS 4 HA HIS 4 -19.528 -9.051 -23.400 34 HB2 HIS 4 HB2 HIS 4 -19.422 -9.773 -21.026 35 HB3 HIS 4 HB1 HIS 4 -18.148 -8.586 -20.746 36 HD1 HIS 4 HD1 HIS 4 -19.339 -6.263 -22.457 37 HD2 HIS 4 HD2 HIS 4 -21.506 -8.479 -19.670 38 HE1 HIS 4 HE1 HIS 4 -21.299 -4.818 -21.761 39 H GLU 5 HN GLU 5 -19.602 -7.118 -24.367 40 HA GLU 5 HA GLU 5 -17.194 -5.410 -24.216 41 HB2 GLU 5 HB2 GLU 5 -18.098 -4.434 -26.377 42 HB3 GLU 5 HB1 GLU 5 -17.530 -6.102 -26.473 43 HG2 GLU 5 HG2 GLU 5 -19.819 -6.930 -26.268 44 HG3 GLU 5 HG1 GLU 5 -20.421 -5.286 -26.063 45 H PHE 6 HN PHE 6 -17.371 -3.446 -23.342 46 HA PHE 6 HA PHE 6 -20.077 -2.310 -22.983 47 HB2 PHE 6 HB2 PHE 6 -18.351 -3.198 -20.952 48 HB3 PHE 6 HB1 PHE 6 -18.204 -1.441 -20.949 49 HD1 PHE 6 HD2 PHE 6 -20.512 -0.133 -21.193 50 HD2 PHE 6 HD1 PHE 6 -20.110 -4.165 -19.769 51 HE1 PHE 6 HE2 PHE 6 -22.707 0.050 -20.052 52 HE2 PHE 6 HE1 PHE 6 -22.302 -3.982 -18.629 53 HZ PHE 6 HZ PHE 6 -23.601 -1.873 -18.766 54 H SER 7 HN SER 7 -20.302 -0.156 -23.405 55 HA SER 7 HA SER 7 -17.988 1.172 -24.641 56 HB2 SER 7 HB2 SER 7 -20.680 0.977 -25.365 57 HB3 SER 7 HB1 SER 7 -20.494 2.630 -24.787 58 HG SER 7 HG SER 7 -19.963 2.448 -26.996 59 H VAL 8 HN VAL 8 -16.816 2.414 -23.318 60 HA VAL 8 HA VAL 8 -18.262 4.177 -21.441 61 HB VAL 8 HB VAL 8 -17.113 2.165 -20.348 62 HG11 VAL 8 HG11 VAL 8 -15.043 2.658 -21.929 63 HG12 VAL 8 HG12 VAL 8 -14.794 2.040 -20.296 64 HG13 VAL 8 HG13 VAL 8 -14.590 3.759 -20.629 65 HG21 VAL 8 HG21 VAL 8 -16.903 5.047 -19.676 66 HG22 VAL 8 HG22 VAL 8 -15.846 3.973 -18.761 67 HG23 VAL 8 HG23 VAL 8 -17.592 3.722 -18.739 68 H ASP 9 HN ASP 9 -17.754 6.261 -21.644 69 HA ASP 9 HA ASP 9 -15.639 7.054 -23.472 70 HB2 ASP 9 HB2 ASP 9 -18.090 8.131 -22.825 71 HB3 ASP 9 HB1 ASP 9 -16.978 9.169 -21.935 72 H MET 10 HN MET 10 -13.602 7.211 -22.764 73 HA MET 10 HA MET 10 -12.901 7.247 -20.017 74 HB2 MET 10 HB2 MET 10 -11.413 6.358 -21.763 75 HB3 MET 10 HB1 MET 10 -11.231 7.978 -22.436 76 HG2 MET 10 HG2 MET 10 -10.625 7.502 -19.531 77 HG3 MET 10 HG1 MET 10 -9.427 7.076 -20.755 78 HE1 MET 10 HE1 MET 10 -8.738 8.650 -22.666 79 HE2 MET 10 HE2 MET 10 -7.624 8.650 -21.302 80 HE3 MET 10 HE3 MET 10 -8.020 10.166 -22.106 81 H THR 11 HN THR 11 -13.155 8.879 -18.670 82 HA THR 11 HA THR 11 -12.904 11.643 -19.688 83 HB THR 11 HB THR 11 -14.244 10.804 -17.115 84 HG1 THR 11 HG1 THR 11 -16.175 11.177 -18.483 85 HG21 THR 11 HG21 THR 11 -13.451 13.238 -17.791 86 HG22 THR 11 HG22 THR 11 -15.017 12.987 -17.021 87 HG23 THR 11 HG23 THR 11 -14.919 13.207 -18.768 88 H CYS 12 HN CYS 12 -11.956 9.375 -17.176 89 HA CYS 12 HA CYS 12 -10.038 11.344 -16.105 90 HB2 CYS 12 HB2 CYS 12 -11.528 9.050 -14.938 91 HB3 CYS 12 HB1 CYS 12 -9.918 9.385 -14.305 92 HG CYS 12 HG CYS 12 -10.719 11.803 -13.686 93 H GLY 13 HN GLY 13 -9.422 10.105 -18.565 94 HA2 GLY 13 HA2 GLY 13 -8.097 7.939 -19.044 95 HA3 GLY 13 HA1 GLY 13 -7.225 9.453 -19.268 96 H GLY 14 HN GLY 14 -6.591 10.320 -16.852 97 HA2 GLY 14 HA2 GLY 14 -4.474 8.634 -16.014 98 HA3 GLY 14 HA1 GLY 14 -5.026 10.083 -15.182 99 H CYS 15 HN CYS 15 -7.558 9.502 -14.420 100 HA CYS 15 HA CYS 15 -7.106 7.519 -12.344 101 HB2 CYS 15 HB2 CYS 15 -8.645 9.890 -12.590 102 HB3 CYS 15 HB1 CYS 15 -9.766 8.564 -12.278 103 HG CYS 15 HG CYS 15 -8.445 7.999 -10.105 104 H ALA 16 HN ALA 16 -9.362 7.986 -15.068 105 HA ALA 16 HA ALA 16 -11.027 5.787 -14.634 106 HB1 ALA 16 HB1 ALA 16 -10.916 7.680 -16.540 107 HB2 ALA 16 HB2 ALA 16 -11.825 6.182 -16.740 108 HB3 ALA 16 HB3 ALA 16 -10.212 6.336 -17.438 109 H GLU 17 HN GLU 17 -7.802 5.945 -16.059 110 HA GLU 17 HA GLU 17 -7.758 3.264 -17.026 111 HB2 GLU 17 HB2 GLU 17 -6.132 4.654 -17.983 112 HB3 GLU 17 HB1 GLU 17 -5.643 5.317 -16.423 113 HG2 GLU 17 HG2 GLU 17 -5.344 2.375 -16.814 114 HG3 GLU 17 HG1 GLU 17 -4.209 3.423 -17.664 115 H ALA 18 HN ALA 18 -6.627 4.805 -14.032 116 HA ALA 18 HA ALA 18 -5.547 2.449 -12.870 117 HB1 ALA 18 HB1 ALA 18 -5.794 3.761 -10.715 118 HB2 ALA 18 HB2 ALA 18 -6.529 5.046 -11.674 119 HB3 ALA 18 HB3 ALA 18 -4.861 4.560 -11.980 120 H VAL 19 HN VAL 19 -8.754 3.821 -13.038 121 HA VAL 19 HA VAL 19 -9.982 2.358 -10.961 122 HB VAL 19 HB VAL 19 -10.836 4.001 -13.231 123 HG11 VAL 19 HG11 VAL 19 -12.572 1.688 -12.312 124 HG12 VAL 19 HG12 VAL 19 -11.987 1.981 -13.949 125 HG13 VAL 19 HG13 VAL 19 -13.168 3.073 -13.227 126 HG21 VAL 19 HG21 VAL 19 -10.908 4.758 -10.907 127 HG22 VAL 19 HG22 VAL 19 -11.951 3.405 -10.474 128 HG23 VAL 19 HG23 VAL 19 -12.550 4.671 -11.545 129 H SER 20 HN SER 20 -9.309 1.601 -14.337 130 HA SER 20 HA SER 20 -10.844 -0.714 -14.616 131 HB2 SER 20 HB2 SER 20 -9.482 -1.232 -16.493 132 HB3 SER 20 HB1 SER 20 -9.540 0.526 -16.411 133 HG SER 20 HG SER 20 -7.497 -1.115 -15.305 134 H ARG 21 HN ARG 21 -7.697 -0.243 -13.110 135 HA ARG 21 HA ARG 21 -6.863 -2.906 -12.922 136 HB2 ARG 21 HB2 ARG 21 -6.407 -0.652 -10.952 137 HB3 ARG 21 HB1 ARG 21 -5.483 -2.153 -11.029 138 HG2 ARG 21 HG2 ARG 21 -5.263 -1.394 -13.601 139 HG3 ARG 21 HG1 ARG 21 -5.437 0.195 -12.857 140 HD2 ARG 21 HD2 ARG 21 -3.130 -0.120 -12.750 141 HD3 ARG 21 HD1 ARG 21 -3.641 -0.697 -11.168 142 HE ARG 21 HE ARG 21 -2.835 -2.392 -13.446 143 HH11 ARG 21 HH21 ARG 21 -3.731 -1.979 -10.122 144 HH12 ARG 21 HH22 ARG 21 -3.193 -3.553 -9.644 145 HH21 ARG 21 HH11 ARG 21 -2.133 -4.455 -12.816 146 HH22 ARG 21 HH12 ARG 21 -2.292 -4.952 -11.165 147 H VAL 22 HN VAL 22 -9.006 -1.036 -10.806 148 HA VAL 22 HA VAL 22 -9.256 -2.946 -8.750 149 HB VAL 22 HB VAL 22 -11.085 -1.671 -7.964 150 HG11 VAL 22 HG11 VAL 22 -10.228 0.563 -8.010 151 HG12 VAL 22 HG12 VAL 22 -9.478 0.315 -9.586 152 HG13 VAL 22 HG13 VAL 22 -8.828 -0.500 -8.163 153 HG21 VAL 22 HG21 VAL 22 -11.733 0.153 -10.011 154 HG22 VAL 22 HG22 VAL 22 -12.740 -1.164 -9.412 155 HG23 VAL 22 HG23 VAL 22 -11.678 -1.424 -10.794 156 H LEU 23 HN LEU 23 -10.519 -2.912 -11.947 157 HA LEU 23 HA LEU 23 -12.894 -4.365 -11.648 158 HB2 LEU 23 HB2 LEU 23 -12.097 -3.293 -13.770 159 HB3 LEU 23 HB1 LEU 23 -10.948 -4.616 -13.949 160 HG LEU 23 HG LEU 23 -13.746 -5.422 -13.403 161 HD11 LEU 23 HD11 LEU 23 -12.958 -3.753 -15.740 162 HD12 LEU 23 HD12 LEU 23 -14.529 -3.925 -14.959 163 HD13 LEU 23 HD13 LEU 23 -13.959 -5.165 -16.075 164 HD21 LEU 23 HD21 LEU 23 -12.046 -6.371 -15.682 165 HD22 LEU 23 HD22 LEU 23 -13.126 -7.290 -14.633 166 HD23 LEU 23 HD23 LEU 23 -11.547 -6.776 -14.040 167 H ASN 24 HN ASN 24 -9.543 -5.449 -11.710 168 HA ASN 24 HA ASN 24 -9.895 -8.165 -12.163 169 HB2 ASN 24 HB2 ASN 24 -7.910 -6.590 -10.558 170 HB3 ASN 24 HB1 ASN 24 -7.868 -8.352 -10.525 171 HD21 ASN 24 HD21 ASN 24 -7.549 -5.530 -12.676 172 HD22 ASN 24 HD22 ASN 24 -6.776 -6.371 -13.931 173 H LYS 25 HN LYS 25 -10.362 -6.305 -9.196 174 HA LYS 25 HA LYS 25 -10.736 -8.545 -7.483 175 HB2 LYS 25 HB2 LYS 25 -10.350 -6.734 -6.166 176 HB3 LYS 25 HB1 LYS 25 -11.073 -5.614 -7.316 177 HG2 LYS 25 HG2 LYS 25 -12.388 -5.755 -5.220 178 HG3 LYS 25 HG1 LYS 25 -13.325 -6.306 -6.606 179 HD2 LYS 25 HD2 LYS 25 -13.740 -8.147 -5.343 180 HD3 LYS 25 HD1 LYS 25 -12.102 -8.634 -5.776 181 HE2 LYS 25 HE2 LYS 25 -11.358 -7.214 -3.743 182 HE3 LYS 25 HE1 LYS 25 -13.051 -7.280 -3.254 183 HZ1 LYS 25 HZ1 LYS 25 -12.164 -9.846 -4.029 184 HZ2 LYS 25 HZ2 LYS 25 -12.766 -9.335 -2.525 185 HZ3 LYS 25 HZ3 LYS 25 -11.106 -9.214 -2.865 186 H LEU 26 HN LEU 26 -13.005 -6.441 -9.249 187 HA LEU 26 HA LEU 26 -15.340 -7.816 -8.312 188 HB2 LEU 26 HB2 LEU 26 -15.004 -5.386 -9.287 189 HB3 LEU 26 HB1 LEU 26 -15.302 -6.194 -10.825 190 HG LEU 26 HG LEU 26 -17.429 -5.458 -10.058 191 HD11 LEU 26 HD11 LEU 26 -17.193 -7.904 -10.800 192 HD12 LEU 26 HD12 LEU 26 -18.651 -7.487 -9.907 193 HD13 LEU 26 HD13 LEU 26 -17.327 -8.318 -9.092 194 HD21 LEU 26 HD21 LEU 26 -17.131 -6.892 -7.434 195 HD22 LEU 26 HD22 LEU 26 -18.183 -5.538 -7.848 196 HD23 LEU 26 HD23 LEU 26 -16.454 -5.275 -7.621 197 H GLY 27 HN GLY 27 -13.401 -7.868 -11.278 198 HA2 GLY 27 HA2 GLY 27 -15.049 -10.065 -12.327 199 HA3 GLY 27 HA1 GLY 27 -13.909 -9.100 -13.258 200 H GLY 28 HN GLY 28 -11.582 -9.230 -12.061 201 HA2 GLY 28 HA2 GLY 28 -9.745 -10.544 -11.593 202 HA3 GLY 28 HA1 GLY 28 -10.856 -11.750 -10.947 203 H VAL 29 HN VAL 29 -11.383 -10.607 -14.152 204 HA VAL 29 HA VAL 29 -10.288 -13.130 -15.244 205 HB VAL 29 HB VAL 29 -12.092 -12.957 -16.961 206 HG11 VAL 29 HG11 VAL 29 -12.539 -13.349 -14.041 207 HG12 VAL 29 HG12 VAL 29 -12.741 -14.489 -15.372 208 HG13 VAL 29 HG13 VAL 29 -13.975 -13.265 -15.063 209 HG21 VAL 29 HG21 VAL 29 -13.771 -11.329 -16.834 210 HG22 VAL 29 HG22 VAL 29 -12.338 -10.403 -16.391 211 HG23 VAL 29 HG23 VAL 29 -13.439 -10.978 -15.138 212 H LYS 30 HN LYS 30 -10.176 -12.862 -17.770 213 HA LYS 30 HA LYS 30 -8.083 -11.057 -18.305 214 HB2 LYS 30 HB2 LYS 30 -9.596 -13.077 -19.763 215 HB3 LYS 30 HB1 LYS 30 -9.170 -11.702 -20.781 216 HG2 LYS 30 HG2 LYS 30 -7.346 -13.279 -20.894 217 HG3 LYS 30 HG1 LYS 30 -6.804 -11.907 -19.928 218 HD2 LYS 30 HD2 LYS 30 -6.133 -13.698 -18.592 219 HD3 LYS 30 HD1 LYS 30 -7.716 -13.324 -17.910 220 HE2 LYS 30 HE2 LYS 30 -7.431 -15.330 -20.145 221 HE3 LYS 30 HE1 LYS 30 -7.191 -15.804 -18.464 222 HZ1 LYS 30 HZ1 LYS 30 -9.439 -14.548 -18.155 223 HZ2 LYS 30 HZ2 LYS 30 -9.419 -16.157 -18.700 224 HZ3 LYS 30 HZ3 LYS 30 -9.632 -14.886 -19.806 225 H TYR 31 HN TYR 31 -8.028 -9.041 -19.063 226 HA TYR 31 HA TYR 31 -10.418 -7.826 -20.244 227 HB2 TYR 31 HB2 TYR 31 -10.332 -5.895 -18.749 228 HB3 TYR 31 HB1 TYR 31 -10.577 -7.369 -17.813 229 HD1 TYR 31 HD1 TYR 31 -8.422 -8.549 -16.919 230 HD2 TYR 31 HD2 TYR 31 -8.571 -4.451 -18.193 231 HE1 TYR 31 HE1 TYR 31 -6.366 -8.072 -15.618 232 HE2 TYR 31 HE2 TYR 31 -6.514 -3.972 -16.893 233 HH TYR 31 HH TYR 31 -4.470 -6.309 -15.763 234 H ASP 32 HN ASP 32 -9.962 -5.925 -21.472 235 HA ASP 32 HA ASP 32 -7.099 -5.350 -21.892 236 HB2 ASP 32 HB2 ASP 32 -8.738 -6.756 -23.697 237 HB3 ASP 32 HB1 ASP 32 -8.576 -5.132 -24.363 238 H ILE 33 HN ILE 33 -6.616 -3.231 -22.104 239 HA ILE 33 HA ILE 33 -8.881 -1.336 -22.304 240 HB ILE 33 HB ILE 33 -6.281 -0.639 -20.976 241 HG12 ILE 33 HG12 ILE 33 -8.655 -2.009 -19.670 242 HG13 ILE 33 HG11 ILE 33 -7.073 -2.744 -19.930 243 HG21 ILE 33 HG21 ILE 33 -7.858 1.165 -21.433 244 HG22 ILE 33 HG22 ILE 33 -7.827 0.852 -19.697 245 HG23 ILE 33 HG23 ILE 33 -9.165 0.252 -20.676 246 HD11 ILE 33 HD11 ILE 33 -6.058 -0.899 -18.563 247 HD12 ILE 33 HD12 ILE 33 -7.170 -1.919 -17.648 248 HD13 ILE 33 HD13 ILE 33 -7.688 -0.328 -18.205 249 H ASP 34 HN ASP 34 -8.872 -0.525 -24.322 250 HA ASP 34 HA ASP 34 -6.266 0.262 -25.485 251 HB2 ASP 34 HB2 ASP 34 -8.838 -0.545 -26.859 252 HB3 ASP 34 HB1 ASP 34 -7.413 0.075 -27.691 253 H LEU 35 HN LEU 35 -6.096 2.361 -24.850 254 HA LEU 35 HA LEU 35 -8.208 4.212 -24.636 255 HB2 LEU 35 HB2 LEU 35 -5.357 4.221 -24.337 256 HB3 LEU 35 HB1 LEU 35 -5.831 5.615 -25.307 257 HG LEU 35 HG LEU 35 -7.571 6.150 -23.572 258 HD11 LEU 35 HD11 LEU 35 -6.149 4.427 -21.609 259 HD12 LEU 35 HD12 LEU 35 -7.231 3.603 -22.731 260 HD13 LEU 35 HD13 LEU 35 -7.852 4.879 -21.684 261 HD21 LEU 35 HD21 LEU 35 -5.206 6.164 -21.881 262 HD22 LEU 35 HD22 LEU 35 -6.018 7.518 -22.668 263 HD23 LEU 35 HD23 LEU 35 -4.794 6.597 -23.541 264 HA PRO 36 HA PRO 36 -6.614 5.670 -29.076 265 HB2 PRO 36 HB2 PRO 36 -6.035 2.939 -30.114 266 HB3 PRO 36 HB1 PRO 36 -5.186 4.466 -30.416 267 HG2 PRO 36 HG2 PRO 36 -4.182 2.581 -28.810 268 HG3 PRO 36 HG1 PRO 36 -3.938 4.309 -28.508 269 HD2 PRO 36 HD2 PRO 36 -5.714 2.384 -27.081 270 HD3 PRO 36 HD1 PRO 36 -4.903 3.843 -26.470 271 H ASN 37 HN ASN 37 -8.295 2.665 -28.355 272 HA ASN 37 HA ASN 37 -10.215 3.182 -30.532 273 HB2 ASN 37 HB2 ASN 37 -9.280 0.763 -29.106 274 HB3 ASN 37 HB1 ASN 37 -10.997 0.804 -29.502 275 HD21 ASN 37 HD21 ASN 37 -7.903 0.115 -30.777 276 HD22 ASN 37 HD22 ASN 37 -8.334 0.064 -32.418 277 H LYS 38 HN LYS 38 -9.801 3.597 -27.205 278 HA LYS 38 HA LYS 38 -11.217 4.141 -25.475 279 HB2 LYS 38 HB2 LYS 38 -13.284 4.962 -27.487 280 HB3 LYS 38 HB1 LYS 38 -12.832 5.741 -25.971 281 HG2 LYS 38 HG2 LYS 38 -10.795 6.584 -26.897 282 HG3 LYS 38 HG1 LYS 38 -10.945 5.569 -28.331 283 HD2 LYS 38 HD2 LYS 38 -11.593 7.955 -28.737 284 HD3 LYS 38 HD1 LYS 38 -12.889 6.809 -29.080 285 HE2 LYS 38 HE2 LYS 38 -14.073 7.373 -27.130 286 HE3 LYS 38 HE1 LYS 38 -12.651 8.071 -26.356 287 HZ1 LYS 38 HZ1 LYS 38 -14.453 9.233 -28.335 288 HZ2 LYS 38 HZ2 LYS 38 -12.807 9.636 -28.464 289 HZ3 LYS 38 HZ3 LYS 38 -13.656 9.967 -27.030 290 H LYS 39 HN LYS 39 -11.326 1.451 -26.369 291 HA LYS 39 HA LYS 39 -14.080 0.794 -25.558 292 HB2 LYS 39 HB2 LYS 39 -14.458 -0.670 -27.304 293 HB3 LYS 39 HB1 LYS 39 -13.498 0.558 -28.131 294 HG2 LYS 39 HG2 LYS 39 -11.442 -0.818 -27.564 295 HG3 LYS 39 HG1 LYS 39 -12.538 -2.095 -27.035 296 HD2 LYS 39 HD2 LYS 39 -13.392 -1.143 -29.611 297 HD3 LYS 39 HD1 LYS 39 -11.674 -1.537 -29.686 298 HE2 LYS 39 HE2 LYS 39 -12.803 -3.576 -30.180 299 HE3 LYS 39 HE1 LYS 39 -12.283 -3.730 -28.502 300 HZ1 LYS 39 HZ1 LYS 39 -14.703 -2.510 -28.320 301 HZ2 LYS 39 HZ2 LYS 39 -14.406 -4.165 -28.068 302 HZ3 LYS 39 HZ3 LYS 39 -14.933 -3.615 -29.587 303 H VAL 40 HN VAL 40 -14.266 -1.022 -24.272 304 HA VAL 40 HA VAL 40 -11.723 -2.330 -23.514 305 HB VAL 40 HB VAL 40 -14.024 -1.865 -21.621 306 HG11 VAL 40 HG11 VAL 40 -12.619 -2.711 -20.018 307 HG12 VAL 40 HG12 VAL 40 -11.176 -2.045 -20.783 308 HG13 VAL 40 HG13 VAL 40 -11.904 -3.525 -21.410 309 HG21 VAL 40 HG21 VAL 40 -11.811 -0.144 -21.057 310 HG22 VAL 40 HG22 VAL 40 -13.465 0.314 -21.460 311 HG23 VAL 40 HG23 VAL 40 -12.271 0.106 -22.741 312 H CYS 41 HN CYS 41 -11.725 -4.431 -23.943 313 HA CYS 41 HA CYS 41 -14.319 -5.852 -24.038 314 HB2 CYS 41 HB2 CYS 41 -12.609 -7.496 -25.364 315 HB3 CYS 41 HB1 CYS 41 -13.596 -6.266 -26.153 316 HG CYS 41 HG CYS 41 -11.123 -5.834 -26.873 317 H ILE 42 HN ILE 42 -14.626 -7.051 -22.280 318 HA ILE 42 HA ILE 42 -12.311 -8.499 -21.150 319 HB ILE 42 HB ILE 42 -12.619 -7.074 -19.402 320 HG12 ILE 42 HG12 ILE 42 -15.029 -8.854 -18.910 321 HG13 ILE 42 HG11 ILE 42 -13.362 -9.357 -18.628 322 HG21 ILE 42 HG21 ILE 42 -14.120 -5.516 -20.267 323 HG22 ILE 42 HG22 ILE 42 -15.047 -6.189 -18.925 324 HG23 ILE 42 HG23 ILE 42 -15.359 -6.733 -20.574 325 HD11 ILE 42 HD11 ILE 42 -13.641 -8.513 -16.548 326 HD12 ILE 42 HD12 ILE 42 -15.089 -7.621 -17.014 327 HD13 ILE 42 HD13 ILE 42 -13.493 -6.931 -17.313 328 H GLU 43 HN GLU 43 -12.598 -10.610 -20.682 329 HA GLU 43 HA GLU 43 -15.261 -11.750 -21.243 330 HB2 GLU 43 HB2 GLU 43 -13.757 -13.913 -21.332 331 HB3 GLU 43 HB1 GLU 43 -13.827 -12.833 -22.724 332 HG2 GLU 43 HG2 GLU 43 -11.793 -12.235 -20.626 333 HG3 GLU 43 HG1 GLU 43 -11.498 -13.629 -21.663 334 H SER 44 HN SER 44 -16.361 -12.220 -19.448 335 HA SER 44 HA SER 44 -14.855 -13.242 -17.120 336 HB2 SER 44 HB2 SER 44 -17.318 -11.871 -16.411 337 HB3 SER 44 HB1 SER 44 -15.690 -11.655 -15.774 338 HG SER 44 HG SER 44 -15.612 -10.701 -18.192 339 H GLU 45 HN GLU 45 -16.121 -14.545 -15.649 340 HA GLU 45 HA GLU 45 -17.781 -16.422 -17.067 341 HB2 GLU 45 HB2 GLU 45 -17.074 -16.276 -14.129 342 HB3 GLU 45 HB1 GLU 45 -17.718 -17.673 -14.989 343 HG2 GLU 45 HG2 GLU 45 -15.704 -17.662 -16.458 344 HG3 GLU 45 HG1 GLU 45 -15.048 -16.333 -15.503 345 H HIS 46 HN HIS 46 -18.314 -13.538 -15.379 346 HA HIS 46 HA HIS 46 -21.090 -14.288 -14.710 347 HB2 HIS 46 HB2 HIS 46 -19.105 -12.486 -13.507 348 HB3 HIS 46 HB1 HIS 46 -20.715 -11.783 -13.661 349 HD1 HIS 46 HD1 HIS 46 -20.538 -15.467 -13.261 350 HD2 HIS 46 HD2 HIS 46 -21.037 -12.143 -10.795 351 HE1 HIS 46 HE1 HIS 46 -21.361 -16.347 -11.034 352 H SER 47 HN SER 47 -19.241 -11.551 -16.028 353 HA SER 47 HA SER 47 -19.758 -9.986 -17.626 354 HB2 SER 47 HB2 SER 47 -21.551 -12.245 -18.524 355 HB3 SER 47 HB1 SER 47 -21.342 -10.752 -19.436 356 HG SER 47 HG SER 47 -19.550 -12.838 -18.936 357 H MET 48 HN MET 48 -21.024 -8.209 -17.721 358 HA MET 48 HA MET 48 -22.785 -6.782 -17.347 359 HB2 MET 48 HB2 MET 48 -24.037 -8.936 -18.277 360 HB3 MET 48 HB1 MET 48 -24.631 -9.011 -16.619 361 HG2 MET 48 HG2 MET 48 -25.092 -6.438 -16.988 362 HG3 MET 48 HG1 MET 48 -25.071 -6.889 -18.693 363 HE1 MET 48 HE1 MET 48 -27.631 -5.932 -16.370 364 HE2 MET 48 HE2 MET 48 -28.808 -6.433 -17.582 365 HE3 MET 48 HE3 MET 48 -27.336 -5.604 -18.082 366 H ASP 49 HN ASP 49 -21.087 -6.910 -15.360 367 HA ASP 49 HA ASP 49 -22.546 -6.153 -13.084 368 HB2 ASP 49 HB2 ASP 49 -22.913 -8.673 -13.026 369 HB3 ASP 49 HB1 ASP 49 -21.187 -8.824 -12.706 370 H THR 50 HN THR 50 -19.545 -7.582 -14.279 371 HA THR 50 HA THR 50 -17.909 -6.266 -12.298 372 HB THR 50 HB THR 50 -16.848 -8.196 -12.928 373 HG1 THR 50 HG1 THR 50 -15.818 -6.863 -15.130 374 HG21 THR 50 HG21 THR 50 -18.324 -9.072 -14.542 375 HG22 THR 50 HG22 THR 50 -16.805 -8.897 -15.419 376 HG23 THR 50 HG23 THR 50 -18.085 -7.703 -15.632 377 H LEU 51 HN LEU 51 -18.633 -5.794 -15.741 378 HA LEU 51 HA LEU 51 -16.756 -3.736 -16.203 379 HB2 LEU 51 HB2 LEU 51 -19.350 -3.850 -17.687 380 HB3 LEU 51 HB1 LEU 51 -17.724 -3.535 -18.291 381 HG LEU 51 HG LEU 51 -17.437 -6.059 -17.269 382 HD11 LEU 51 HD11 LEU 51 -20.051 -5.870 -16.993 383 HD12 LEU 51 HD12 LEU 51 -19.338 -7.363 -17.608 384 HD13 LEU 51 HD13 LEU 51 -20.057 -6.203 -18.726 385 HD21 LEU 51 HD21 LEU 51 -16.833 -5.069 -19.560 386 HD22 LEU 51 HD22 LEU 51 -18.449 -5.550 -20.075 387 HD23 LEU 51 HD23 LEU 51 -17.295 -6.769 -19.542 388 H LEU 52 HN LEU 52 -20.263 -3.490 -15.559 389 HA LEU 52 HA LEU 52 -20.482 -0.729 -15.675 390 HB2 LEU 52 HB2 LEU 52 -22.360 -1.210 -13.868 391 HB3 LEU 52 HB1 LEU 52 -22.549 -1.723 -15.541 392 HG LEU 52 HG LEU 52 -21.183 -3.568 -13.611 393 HD11 LEU 52 HD11 LEU 52 -22.997 -3.518 -12.254 394 HD12 LEU 52 HD12 LEU 52 -23.807 -4.402 -13.547 395 HD13 LEU 52 HD13 LEU 52 -23.971 -2.648 -13.440 396 HD21 LEU 52 HD21 LEU 52 -23.146 -4.735 -15.378 397 HD22 LEU 52 HD22 LEU 52 -21.403 -4.992 -15.341 398 HD23 LEU 52 HD23 LEU 52 -22.079 -3.679 -16.302 399 H ALA 53 HN ALA 53 -19.889 -2.712 -12.757 400 HA ALA 53 HA ALA 53 -19.782 -0.628 -10.911 401 HB1 ALA 53 HB1 ALA 53 -18.786 -2.164 -9.430 402 HB2 ALA 53 HB2 ALA 53 -17.986 -3.038 -10.736 403 HB3 ALA 53 HB3 ALA 53 -19.732 -3.175 -10.524 404 H THR 54 HN THR 54 -17.115 -2.069 -12.783 405 HA THR 54 HA THR 54 -15.103 -0.375 -11.701 406 HB THR 54 HB THR 54 -15.112 -1.902 -14.309 407 HG1 THR 54 HG1 THR 54 -13.675 -3.042 -12.423 408 HG21 THR 54 HG21 THR 54 -12.627 -1.440 -12.773 409 HG22 THR 54 HG22 THR 54 -13.321 -0.008 -13.527 410 HG23 THR 54 HG23 THR 54 -12.903 -1.405 -14.514 411 H LEU 55 HN LEU 55 -16.863 -0.286 -14.803 412 HA LEU 55 HA LEU 55 -15.536 1.946 -15.861 413 HB2 LEU 55 HB2 LEU 55 -18.110 0.553 -16.391 414 HB3 LEU 55 HB1 LEU 55 -17.897 2.163 -17.080 415 HG LEU 55 HG LEU 55 -15.953 1.500 -18.289 416 HD11 LEU 55 HD11 LEU 55 -14.620 0.233 -16.873 417 HD12 LEU 55 HD12 LEU 55 -15.237 -1.030 -17.938 418 HD13 LEU 55 HD13 LEU 55 -15.961 -0.785 -16.351 419 HD21 LEU 55 HD21 LEU 55 -18.163 0.644 -19.159 420 HD22 LEU 55 HD22 LEU 55 -17.808 -0.898 -18.382 421 HD23 LEU 55 HD23 LEU 55 -16.772 -0.306 -19.681 422 H LYS 56 HN LYS 56 -18.551 1.782 -13.969 423 HA LYS 56 HA LYS 56 -18.971 4.616 -14.036 424 HB2 LYS 56 HB2 LYS 56 -20.894 4.208 -12.832 425 HB3 LYS 56 HB1 LYS 56 -20.644 2.627 -13.574 426 HG2 LYS 56 HG2 LYS 56 -19.253 2.082 -11.456 427 HG3 LYS 56 HG1 LYS 56 -20.050 3.486 -10.746 428 HD2 LYS 56 HD2 LYS 56 -22.242 2.354 -11.646 429 HD3 LYS 56 HD1 LYS 56 -21.255 0.891 -11.658 430 HE2 LYS 56 HE2 LYS 56 -20.606 1.585 -9.233 431 HE3 LYS 56 HE1 LYS 56 -22.036 2.615 -9.316 432 HZ1 LYS 56 HZ1 LYS 56 -22.138 -0.253 -10.023 433 HZ2 LYS 56 HZ2 LYS 56 -23.425 0.784 -9.631 434 HZ3 LYS 56 HZ3 LYS 56 -22.341 0.276 -8.425 435 H LYS 57 HN LYS 57 -16.911 2.603 -12.194 436 HA LYS 57 HA LYS 57 -16.837 3.720 -9.688 437 HB2 LYS 57 HB2 LYS 57 -15.236 1.974 -11.073 438 HB3 LYS 57 HB1 LYS 57 -14.151 3.338 -10.799 439 HG2 LYS 57 HG2 LYS 57 -15.812 1.996 -8.644 440 HG3 LYS 57 HG1 LYS 57 -14.102 1.675 -8.933 441 HD2 LYS 57 HD2 LYS 57 -13.488 3.913 -8.359 442 HD3 LYS 57 HD1 LYS 57 -15.167 4.451 -8.388 443 HE2 LYS 57 HE2 LYS 57 -15.630 3.580 -6.322 444 HE3 LYS 57 HE1 LYS 57 -14.540 2.210 -6.542 445 HZ1 LYS 57 HZ1 LYS 57 -13.114 4.668 -6.497 446 HZ2 LYS 57 HZ2 LYS 57 -12.918 3.293 -5.520 447 HZ3 LYS 57 HZ3 LYS 57 -14.045 4.489 -5.091 448 H THR 58 HN THR 58 -15.000 4.926 -12.529 449 HA THR 58 HA THR 58 -14.214 7.290 -11.040 450 HB THR 58 HB THR 58 -13.656 7.602 -13.807 451 HG1 THR 58 HG1 THR 58 -12.338 5.417 -13.556 452 HG21 THR 58 HG21 THR 58 -11.301 7.149 -12.951 453 HG22 THR 58 HG22 THR 58 -12.029 6.822 -11.379 454 HG23 THR 58 HG23 THR 58 -12.183 8.421 -12.108 455 H GLY 59 HN GLY 59 -17.091 6.523 -12.051 456 HA2 GLY 59 HA2 GLY 59 -18.975 7.789 -12.469 457 HA3 GLY 59 HA1 GLY 59 -17.965 9.227 -12.382 458 H ALA 60 HN ALA 60 -16.845 6.850 -14.559 459 HA ALA 60 HA ALA 60 -17.289 8.589 -16.807 460 HB1 ALA 60 HB1 ALA 60 -15.456 7.478 -17.467 461 HB2 ALA 60 HB2 ALA 60 -16.482 6.073 -17.758 462 HB3 ALA 60 HB3 ALA 60 -15.674 6.268 -16.203 463 H THR 61 HN THR 61 -18.623 8.253 -18.574 464 HA THR 61 HA THR 61 -21.152 7.130 -18.109 465 HB THR 61 HB THR 61 -20.184 7.330 -20.915 466 HG1 THR 61 HG1 THR 61 -19.236 9.145 -20.409 467 HG21 THR 61 HG21 THR 61 -22.563 8.516 -19.466 468 HG22 THR 61 HG22 THR 61 -22.569 6.939 -20.252 469 HG23 THR 61 HG23 THR 61 -22.340 8.400 -21.211 470 H VAL 62 HN VAL 62 -22.049 5.161 -18.531 471 HA VAL 62 HA VAL 62 -20.313 3.126 -19.788 472 HB VAL 62 HB VAL 62 -20.474 2.980 -17.237 473 HG11 VAL 62 HG11 VAL 62 -23.230 1.905 -17.883 474 HG12 VAL 62 HG12 VAL 62 -22.960 3.537 -17.273 475 HG13 VAL 62 HG13 VAL 62 -22.513 2.143 -16.289 476 HG21 VAL 62 HG21 VAL 62 -19.899 0.833 -17.622 477 HG22 VAL 62 HG22 VAL 62 -20.490 1.006 -19.272 478 HG23 VAL 62 HG23 VAL 62 -21.569 0.422 -18.007 479 H SER 63 HN SER 63 -21.255 2.013 -21.379 480 HA SER 63 HA SER 63 -24.190 1.819 -21.465 481 HB2 SER 63 HB2 SER 63 -22.464 2.683 -23.796 482 HB3 SER 63 HB1 SER 63 -24.199 2.389 -23.853 483 HG SER 63 HG SER 63 -22.970 4.618 -23.218 484 H TYR 64 HN TYR 64 -24.731 -0.260 -21.666 485 HA TYR 64 HA TYR 64 -22.750 -2.184 -22.589 486 HB2 TYR 64 HB2 TYR 64 -23.927 -3.736 -21.421 487 HB3 TYR 64 HB1 TYR 64 -24.633 -2.324 -20.641 488 HD1 TYR 64 HD2 TYR 64 -25.121 -4.799 -23.377 489 HD2 TYR 64 HD1 TYR 64 -26.924 -1.754 -20.943 490 HE1 TYR 64 HE2 TYR 64 -27.361 -5.439 -24.231 491 HE2 TYR 64 HE1 TYR 64 -29.161 -2.393 -21.797 492 HH TYR 64 HH TYR 64 -30.239 -3.564 -23.422 493 H LEU 65 HN LEU 65 -22.563 -2.681 -24.668 494 HA LEU 65 HA LEU 65 -24.675 -2.036 -26.552 495 HB2 LEU 65 HB2 LEU 65 -22.102 -3.490 -27.159 496 HB3 LEU 65 HB1 LEU 65 -23.090 -2.517 -28.249 497 HG LEU 65 HG LEU 65 -21.733 -1.385 -25.791 498 HD11 LEU 65 HD11 LEU 65 -19.877 -1.943 -27.084 499 HD12 LEU 65 HD12 LEU 65 -20.260 -0.342 -27.717 500 HD13 LEU 65 HD13 LEU 65 -20.759 -1.783 -28.601 501 HD21 LEU 65 HD21 LEU 65 -23.212 0.268 -26.318 502 HD22 LEU 65 HD22 LEU 65 -23.500 -0.378 -27.933 503 HD23 LEU 65 HD23 LEU 65 -22.083 0.626 -27.626 504 H GLY 66 HN GLY 66 -23.653 -4.757 -24.739 505 HA2 GLY 66 HA2 GLY 66 -25.452 -6.535 -24.722 506 HA3 GLY 66 HA1 GLY 66 -25.231 -6.567 -26.469 507 H LEU 67 HN LEU 67 -24.888 -8.793 -24.689 508 HA LEU 67 HA LEU 67 -22.047 -9.375 -25.233 509 HB2 LEU 67 HB2 LEU 67 -21.810 -10.500 -23.101 510 HB3 LEU 67 HB1 LEU 67 -22.361 -8.848 -22.811 511 HG LEU 67 HG LEU 67 -24.694 -10.415 -23.179 512 HD11 LEU 67 HD11 LEU 67 -23.015 -12.312 -22.661 513 HD12 LEU 67 HD12 LEU 67 -24.485 -12.241 -21.689 514 HD13 LEU 67 HD13 LEU 67 -22.963 -11.641 -21.031 515 HD21 LEU 67 HD21 LEU 67 -23.347 -9.200 -20.750 516 HD22 LEU 67 HD22 LEU 67 -24.981 -9.863 -20.718 517 HD23 LEU 67 HD23 LEU 67 -24.612 -8.477 -21.745 518 H GLU 68 HN GLU 68 -21.576 -11.578 -25.632 519 HA GLU 68 HA GLU 68 -23.277 -12.995 -27.236 520 HB2 GLU 68 HB2 GLU 68 -20.904 -13.684 -25.607 521 HB3 GLU 68 HB1 GLU 68 -21.908 -15.042 -26.116 522 HG2 GLU 68 HG2 GLU 68 -21.629 -14.540 -28.409 523 HG3 GLU 68 HG1 GLU 68 -21.058 -12.907 -28.070 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -18.238 -19.704 -22.942 2 H2 MET 1 HT2 MET 1 -18.256 -20.286 -21.346 3 H3 MET 1 HT3 MET 1 -16.920 -20.591 -22.350 4 HA MET 1 HA MET 1 -17.510 -18.297 -20.739 5 HB2 MET 1 HB2 MET 1 -14.994 -17.965 -21.382 6 HB3 MET 1 HB1 MET 1 -15.441 -19.328 -20.354 7 HG2 MET 1 HG2 MET 1 -14.930 -20.861 -21.953 8 HG3 MET 1 HG1 MET 1 -15.612 -19.876 -23.246 9 HE1 MET 1 HE1 MET 1 -12.656 -20.711 -24.707 10 HE2 MET 1 HE2 MET 1 -13.583 -21.627 -23.521 11 HE3 MET 1 HE3 MET 1 -11.894 -21.244 -23.202 12 HA PRO 2 HA PRO 2 -18.216 -16.140 -24.727 13 HB2 PRO 2 HB2 PRO 2 -20.321 -14.643 -23.900 14 HB3 PRO 2 HB1 PRO 2 -20.499 -16.328 -24.428 15 HG2 PRO 2 HG2 PRO 2 -20.492 -15.194 -21.688 16 HG3 PRO 2 HG1 PRO 2 -21.401 -16.564 -22.345 17 HD2 PRO 2 HD2 PRO 2 -19.075 -16.764 -20.802 18 HD3 PRO 2 HD1 PRO 2 -19.741 -18.053 -21.826 19 H LYS 3 HN LYS 3 -17.486 -14.109 -25.316 20 HA LYS 3 HA LYS 3 -16.148 -12.555 -23.255 21 HB2 LYS 3 HB2 LYS 3 -16.306 -11.851 -26.182 22 HB3 LYS 3 HB1 LYS 3 -15.042 -11.444 -25.021 23 HG2 LYS 3 HG2 LYS 3 -14.409 -13.813 -24.853 24 HG3 LYS 3 HG1 LYS 3 -15.694 -14.245 -25.983 25 HD2 LYS 3 HD2 LYS 3 -14.628 -12.800 -27.706 26 HD3 LYS 3 HD1 LYS 3 -13.313 -12.463 -26.579 27 HE2 LYS 3 HE2 LYS 3 -14.031 -15.077 -27.899 28 HE3 LYS 3 HE1 LYS 3 -12.477 -14.242 -27.882 29 HZ1 LYS 3 HZ1 LYS 3 -12.471 -16.124 -26.377 30 HZ2 LYS 3 HZ2 LYS 3 -13.804 -15.491 -25.536 31 HZ3 LYS 3 HZ3 LYS 3 -12.314 -14.675 -25.510 32 H HIS 4 HN HIS 4 -16.551 -10.349 -22.815 33 HA HIS 4 HA HIS 4 -19.270 -9.477 -23.585 34 HB2 HIS 4 HB2 HIS 4 -18.643 -9.955 -21.103 35 HB3 HIS 4 HB1 HIS 4 -17.798 -8.409 -21.196 36 HD1 HIS 4 HD1 HIS 4 -20.735 -8.546 -23.375 37 HD2 HIS 4 HD2 HIS 4 -19.987 -7.498 -19.410 38 HE1 HIS 4 HE1 HIS 4 -22.752 -7.232 -22.588 39 H GLU 5 HN GLU 5 -19.543 -7.562 -24.561 40 HA GLU 5 HA GLU 5 -17.133 -5.921 -25.034 41 HB2 GLU 5 HB2 GLU 5 -19.693 -6.141 -26.638 42 HB3 GLU 5 HB1 GLU 5 -18.337 -5.081 -27.026 43 HG2 GLU 5 HG2 GLU 5 -16.878 -7.178 -27.026 44 HG3 GLU 5 HG1 GLU 5 -18.377 -8.104 -26.996 45 H PHE 6 HN PHE 6 -17.070 -3.915 -24.223 46 HA PHE 6 HA PHE 6 -19.590 -2.573 -23.521 47 HB2 PHE 6 HB2 PHE 6 -17.914 -3.777 -21.609 48 HB3 PHE 6 HB1 PHE 6 -17.567 -2.051 -21.515 49 HD1 PHE 6 HD2 PHE 6 -19.473 -0.420 -21.203 50 HD2 PHE 6 HD1 PHE 6 -19.971 -4.668 -20.814 51 HE1 PHE 6 HE2 PHE 6 -21.598 -0.059 -19.976 52 HE2 PHE 6 HE1 PHE 6 -22.096 -4.307 -19.586 53 HZ PHE 6 HZ PHE 6 -22.909 -2.002 -19.167 54 H SER 7 HN SER 7 -19.471 -0.304 -23.498 55 HA SER 7 HA SER 7 -16.965 0.833 -24.588 56 HB2 SER 7 HB2 SER 7 -19.063 0.579 -26.151 57 HB3 SER 7 HB1 SER 7 -19.643 1.992 -25.273 58 HG SER 7 HG SER 7 -18.308 2.334 -27.240 59 H VAL 8 HN VAL 8 -16.102 2.189 -23.145 60 HA VAL 8 HA VAL 8 -17.929 3.923 -21.607 61 HB VAL 8 HB VAL 8 -17.030 2.060 -20.203 62 HG11 VAL 8 HG11 VAL 8 -14.775 2.202 -21.556 63 HG12 VAL 8 HG12 VAL 8 -14.741 1.773 -19.845 64 HG13 VAL 8 HG13 VAL 8 -14.354 3.418 -20.349 65 HG21 VAL 8 HG21 VAL 8 -17.202 4.798 -19.658 66 HG22 VAL 8 HG22 VAL 8 -15.637 4.323 -18.998 67 HG23 VAL 8 HG23 VAL 8 -17.104 3.504 -18.464 68 H ASP 9 HN ASP 9 -17.531 6.005 -21.924 69 HA ASP 9 HA ASP 9 -15.156 6.882 -23.314 70 HB2 ASP 9 HB2 ASP 9 -17.637 7.842 -23.327 71 HB3 ASP 9 HB1 ASP 9 -17.015 8.809 -21.991 72 H MET 10 HN MET 10 -13.271 7.107 -22.268 73 HA MET 10 HA MET 10 -13.046 7.243 -19.445 74 HB2 MET 10 HB2 MET 10 -11.124 7.671 -21.719 75 HB3 MET 10 HB1 MET 10 -10.633 7.957 -20.049 76 HG2 MET 10 HG2 MET 10 -11.095 5.689 -19.430 77 HG3 MET 10 HG1 MET 10 -11.925 5.375 -20.954 78 HE1 MET 10 HE1 MET 10 -8.897 6.502 -19.203 79 HE2 MET 10 HE2 MET 10 -8.346 7.391 -20.621 80 HE3 MET 10 HE3 MET 10 -7.492 5.934 -20.116 81 H THR 11 HN THR 11 -13.527 8.913 -18.194 82 HA THR 11 HA THR 11 -13.217 11.644 -19.280 83 HB THR 11 HB THR 11 -15.515 11.144 -18.644 84 HG1 THR 11 HG1 THR 11 -15.657 13.028 -17.746 85 HG21 THR 11 HG21 THR 11 -15.028 10.887 -15.773 86 HG22 THR 11 HG22 THR 11 -14.348 9.549 -16.697 87 HG23 THR 11 HG23 THR 11 -16.066 9.926 -16.826 88 H CYS 12 HN CYS 12 -12.398 9.460 -16.680 89 HA CYS 12 HA CYS 12 -10.829 11.575 -15.351 90 HB2 CYS 12 HB2 CYS 12 -11.972 8.960 -14.406 91 HB3 CYS 12 HB1 CYS 12 -10.666 9.753 -13.526 92 HG CYS 12 HG CYS 12 -12.242 11.520 -12.742 93 H GLY 13 HN GLY 13 -9.924 10.410 -17.807 94 HA2 GLY 13 HA2 GLY 13 -8.298 8.422 -18.149 95 HA3 GLY 13 HA1 GLY 13 -7.635 10.037 -18.392 96 H GLY 14 HN GLY 14 -7.371 11.016 -15.889 97 HA2 GLY 14 HA2 GLY 14 -5.017 9.759 -14.928 98 HA3 GLY 14 HA1 GLY 14 -5.901 11.050 -14.117 99 H CYS 15 HN CYS 15 -8.284 10.021 -13.503 100 HA CYS 15 HA CYS 15 -7.632 8.050 -11.466 101 HB2 CYS 15 HB2 CYS 15 -9.487 10.170 -11.709 102 HB3 CYS 15 HB1 CYS 15 -10.432 8.686 -11.582 103 HG CYS 15 HG CYS 15 -9.943 8.971 -9.149 104 H ALA 16 HN ALA 16 -9.794 8.315 -14.288 105 HA ALA 16 HA ALA 16 -11.109 5.868 -14.074 106 HB1 ALA 16 HB1 ALA 16 -10.317 7.584 -16.409 107 HB2 ALA 16 HB2 ALA 16 -11.926 7.251 -15.768 108 HB3 ALA 16 HB3 ALA 16 -11.067 6.014 -16.684 109 H GLU 17 HN GLU 17 -7.865 6.598 -15.229 110 HA GLU 17 HA GLU 17 -7.319 4.103 -16.456 111 HB2 GLU 17 HB2 GLU 17 -5.824 5.817 -17.015 112 HB3 GLU 17 HB1 GLU 17 -5.606 6.303 -15.334 113 HG2 GLU 17 HG2 GLU 17 -4.282 4.388 -14.842 114 HG3 GLU 17 HG1 GLU 17 -4.759 3.582 -16.336 115 H ALA 18 HN ALA 18 -6.694 5.321 -13.167 116 HA ALA 18 HA ALA 18 -5.457 2.920 -12.244 117 HB1 ALA 18 HB1 ALA 18 -5.069 4.146 -10.399 118 HB2 ALA 18 HB2 ALA 18 -6.789 4.456 -10.163 119 HB3 ALA 18 HB3 ALA 18 -5.846 5.490 -11.236 120 H VAL 19 HN VAL 19 -8.724 4.037 -12.549 121 HA VAL 19 HA VAL 19 -9.964 2.186 -10.781 122 HB VAL 19 HB VAL 19 -10.951 3.865 -13.078 123 HG11 VAL 19 HG11 VAL 19 -12.411 2.001 -13.177 124 HG12 VAL 19 HG12 VAL 19 -13.251 3.165 -12.153 125 HG13 VAL 19 HG13 VAL 19 -12.406 1.801 -11.424 126 HG21 VAL 19 HG21 VAL 19 -11.705 3.926 -10.150 127 HG22 VAL 19 HG22 VAL 19 -11.925 5.192 -11.357 128 HG23 VAL 19 HG23 VAL 19 -10.307 4.806 -10.771 129 H SER 20 HN SER 20 -9.132 2.113 -14.214 130 HA SER 20 HA SER 20 -10.590 -0.137 -14.995 131 HB2 SER 20 HB2 SER 20 -9.416 0.007 -16.941 132 HB3 SER 20 HB1 SER 20 -8.902 1.550 -16.263 133 HG SER 20 HG SER 20 -7.204 0.106 -15.223 134 H ARG 21 HN ARG 21 -7.407 0.084 -13.445 135 HA ARG 21 HA ARG 21 -6.665 -2.612 -13.620 136 HB2 ARG 21 HB2 ARG 21 -6.048 -0.428 -11.644 137 HB3 ARG 21 HB1 ARG 21 -5.424 -2.062 -11.414 138 HG2 ARG 21 HG2 ARG 21 -4.216 -2.004 -13.462 139 HG3 ARG 21 HG1 ARG 21 -5.087 -0.576 -14.023 140 HD2 ARG 21 HD2 ARG 21 -2.796 -0.026 -13.225 141 HD3 ARG 21 HD1 ARG 21 -4.047 0.789 -12.291 142 HE ARG 21 HE ARG 21 -3.306 -0.379 -10.440 143 HH11 ARG 21 HH21 ARG 21 -2.381 -2.003 -13.352 144 HH12 ARG 21 HH22 ARG 21 -1.464 -3.229 -12.542 145 HH21 ARG 21 HH11 ARG 21 -2.103 -1.985 -9.369 146 HH22 ARG 21 HH12 ARG 21 -1.305 -3.218 -10.287 147 H VAL 22 HN VAL 22 -8.697 -0.907 -11.299 148 HA VAL 22 HA VAL 22 -9.062 -2.947 -9.419 149 HB VAL 22 HB VAL 22 -10.314 -0.400 -10.091 150 HG11 VAL 22 HG11 VAL 22 -12.457 -0.907 -8.901 151 HG12 VAL 22 HG12 VAL 22 -12.045 -2.620 -8.962 152 HG13 VAL 22 HG13 VAL 22 -12.324 -1.726 -10.456 153 HG21 VAL 22 HG21 VAL 22 -10.198 -1.916 -7.472 154 HG22 VAL 22 HG22 VAL 22 -10.340 -0.172 -7.696 155 HG23 VAL 22 HG23 VAL 22 -8.839 -0.995 -8.117 156 H LEU 23 HN LEU 23 -10.194 -2.691 -12.653 157 HA LEU 23 HA LEU 23 -12.596 -4.127 -12.554 158 HB2 LEU 23 HB2 LEU 23 -11.801 -2.952 -14.566 159 HB3 LEU 23 HB1 LEU 23 -10.498 -4.125 -14.738 160 HG LEU 23 HG LEU 23 -12.352 -5.916 -14.773 161 HD11 LEU 23 HD11 LEU 23 -14.240 -4.686 -13.996 162 HD12 LEU 23 HD12 LEU 23 -14.520 -4.929 -15.720 163 HD13 LEU 23 HD13 LEU 23 -13.941 -3.371 -15.133 164 HD21 LEU 23 HD21 LEU 23 -11.690 -3.923 -16.905 165 HD22 LEU 23 HD22 LEU 23 -12.963 -5.100 -17.233 166 HD23 LEU 23 HD23 LEU 23 -11.334 -5.649 -16.838 167 H ASN 24 HN ASN 24 -9.250 -5.235 -12.555 168 HA ASN 24 HA ASN 24 -9.705 -7.964 -13.070 169 HB2 ASN 24 HB2 ASN 24 -7.573 -6.632 -11.384 170 HB3 ASN 24 HB1 ASN 24 -7.536 -8.317 -11.902 171 HD21 ASN 24 HD21 ASN 24 -8.043 -5.073 -13.423 172 HD22 ASN 24 HD22 ASN 24 -7.107 -5.421 -14.796 173 H LYS 25 HN LYS 25 -9.887 -6.062 -10.112 174 HA LYS 25 HA LYS 25 -10.154 -8.245 -8.313 175 HB2 LYS 25 HB2 LYS 25 -11.180 -5.418 -7.990 176 HB3 LYS 25 HB1 LYS 25 -10.860 -6.580 -6.701 177 HG2 LYS 25 HG2 LYS 25 -8.453 -6.663 -7.576 178 HG3 LYS 25 HG1 LYS 25 -8.861 -5.237 -8.529 179 HD2 LYS 25 HD2 LYS 25 -8.203 -4.100 -6.668 180 HD3 LYS 25 HD1 LYS 25 -9.815 -4.505 -6.080 181 HE2 LYS 25 HE2 LYS 25 -8.669 -6.738 -5.304 182 HE3 LYS 25 HE1 LYS 25 -7.184 -5.794 -5.419 183 HZ1 LYS 25 HZ1 LYS 25 -7.878 -5.432 -3.260 184 HZ2 LYS 25 HZ2 LYS 25 -9.522 -5.357 -3.679 185 HZ3 LYS 25 HZ3 LYS 25 -8.485 -4.068 -4.066 186 H LEU 26 HN LEU 26 -12.532 -6.169 -9.957 187 HA LEU 26 HA LEU 26 -14.794 -7.484 -8.783 188 HB2 LEU 26 HB2 LEU 26 -14.409 -5.106 -10.091 189 HB3 LEU 26 HB1 LEU 26 -15.224 -6.070 -11.323 190 HG LEU 26 HG LEU 26 -16.917 -4.952 -10.009 191 HD11 LEU 26 HD11 LEU 26 -16.961 -7.570 -10.538 192 HD12 LEU 26 HD12 LEU 26 -18.255 -6.796 -9.624 193 HD13 LEU 26 HD13 LEU 26 -16.982 -7.673 -8.777 194 HD21 LEU 26 HD21 LEU 26 -16.354 -6.275 -7.457 195 HD22 LEU 26 HD22 LEU 26 -16.728 -4.582 -7.782 196 HD23 LEU 26 HD23 LEU 26 -15.072 -5.165 -7.944 197 H GLY 27 HN GLY 27 -13.080 -7.701 -11.872 198 HA2 GLY 27 HA2 GLY 27 -14.904 -9.797 -12.797 199 HA3 GLY 27 HA1 GLY 27 -13.644 -9.020 -13.749 200 H GLY 28 HN GLY 28 -11.364 -9.379 -12.441 201 HA2 GLY 28 HA2 GLY 28 -9.713 -10.901 -11.908 202 HA3 GLY 28 HA1 GLY 28 -10.979 -11.920 -11.228 203 H VAL 29 HN VAL 29 -11.448 -10.934 -14.460 204 HA VAL 29 HA VAL 29 -10.516 -13.560 -15.459 205 HB VAL 29 HB VAL 29 -12.669 -12.305 -16.981 206 HG11 VAL 29 HG11 VAL 29 -12.732 -14.984 -15.615 207 HG12 VAL 29 HG12 VAL 29 -11.646 -14.721 -16.980 208 HG13 VAL 29 HG13 VAL 29 -13.387 -14.526 -17.188 209 HG21 VAL 29 HG21 VAL 29 -13.392 -11.548 -14.774 210 HG22 VAL 29 HG22 VAL 29 -13.140 -13.163 -14.109 211 HG23 VAL 29 HG23 VAL 29 -14.419 -12.885 -15.291 212 H LYS 30 HN LYS 30 -10.738 -13.316 -18.057 213 HA LYS 30 HA LYS 30 -8.518 -11.792 -18.841 214 HB2 LYS 30 HB2 LYS 30 -10.619 -12.480 -20.849 215 HB3 LYS 30 HB1 LYS 30 -8.866 -12.640 -20.953 216 HG2 LYS 30 HG2 LYS 30 -9.130 -14.413 -19.076 217 HG3 LYS 30 HG1 LYS 30 -10.833 -14.428 -19.533 218 HD2 LYS 30 HD2 LYS 30 -10.349 -15.792 -21.253 219 HD3 LYS 30 HD1 LYS 30 -9.309 -14.545 -21.939 220 HE2 LYS 30 HE2 LYS 30 -7.393 -15.362 -20.756 221 HE3 LYS 30 HE1 LYS 30 -8.384 -16.421 -19.753 222 HZ1 LYS 30 HZ1 LYS 30 -9.079 -17.424 -22.009 223 HZ2 LYS 30 HZ2 LYS 30 -7.576 -17.852 -21.342 224 HZ3 LYS 30 HZ3 LYS 30 -7.658 -16.702 -22.591 225 H TYR 31 HN TYR 31 -8.260 -9.772 -19.561 226 HA TYR 31 HA TYR 31 -10.604 -8.166 -20.295 227 HB2 TYR 31 HB2 TYR 31 -10.136 -6.414 -18.772 228 HB3 TYR 31 HB1 TYR 31 -10.051 -7.891 -17.811 229 HD1 TYR 31 HD2 TYR 31 -7.832 -8.880 -17.225 230 HD2 TYR 31 HD1 TYR 31 -8.190 -5.064 -19.166 231 HE1 TYR 31 HE2 TYR 31 -5.489 -8.345 -16.609 232 HE2 TYR 31 HE1 TYR 31 -5.848 -4.530 -18.550 233 HH TYR 31 HH TYR 31 -3.732 -5.915 -18.005 234 H ASP 32 HN ASP 32 -10.085 -6.248 -21.481 235 HA ASP 32 HA ASP 32 -7.314 -6.014 -22.435 236 HB2 ASP 32 HB2 ASP 32 -9.046 -7.423 -23.933 237 HB3 ASP 32 HB1 ASP 32 -9.436 -5.800 -24.500 238 H ILE 33 HN ILE 33 -6.681 -3.944 -22.599 239 HA ILE 33 HA ILE 33 -8.774 -1.851 -22.545 240 HB ILE 33 HB ILE 33 -6.028 -1.878 -21.277 241 HG12 ILE 33 HG12 ILE 33 -8.766 -1.533 -20.020 242 HG13 ILE 33 HG11 ILE 33 -7.944 -3.091 -20.133 243 HG21 ILE 33 HG21 ILE 33 -7.668 0.319 -22.207 244 HG22 ILE 33 HG22 ILE 33 -6.068 0.365 -21.467 245 HG23 ILE 33 HG23 ILE 33 -7.509 0.375 -20.451 246 HD11 ILE 33 HD11 ILE 33 -5.935 -1.707 -19.066 247 HD12 ILE 33 HD12 ILE 33 -7.194 -2.413 -18.053 248 HD13 ILE 33 HD13 ILE 33 -7.256 -0.701 -18.473 249 H ASP 34 HN ASP 34 -8.890 -0.863 -24.469 250 HA ASP 34 HA ASP 34 -6.369 -0.396 -25.950 251 HB2 ASP 34 HB2 ASP 34 -9.094 -0.374 -27.221 252 HB3 ASP 34 HB1 ASP 34 -7.522 -0.623 -27.979 253 H LEU 35 HN LEU 35 -5.799 1.609 -25.260 254 HA LEU 35 HA LEU 35 -7.546 3.735 -24.670 255 HB2 LEU 35 HB2 LEU 35 -4.783 3.278 -24.590 256 HB3 LEU 35 HB1 LEU 35 -4.988 4.656 -25.671 257 HG LEU 35 HG LEU 35 -6.347 4.479 -22.973 258 HD11 LEU 35 HD11 LEU 35 -4.266 4.733 -22.102 259 HD12 LEU 35 HD12 LEU 35 -4.356 6.373 -22.742 260 HD13 LEU 35 HD13 LEU 35 -3.559 5.105 -23.673 261 HD21 LEU 35 HD21 LEU 35 -6.049 6.512 -25.149 262 HD22 LEU 35 HD22 LEU 35 -6.106 7.088 -23.482 263 HD23 LEU 35 HD23 LEU 35 -7.448 6.150 -24.139 264 HA PRO 36 HA PRO 36 -6.353 5.255 -29.196 265 HB2 PRO 36 HB2 PRO 36 -6.259 2.597 -30.512 266 HB3 PRO 36 HB1 PRO 36 -5.218 4.013 -30.746 267 HG2 PRO 36 HG2 PRO 36 -4.384 1.833 -29.438 268 HG3 PRO 36 HG1 PRO 36 -3.850 3.465 -28.998 269 HD2 PRO 36 HD2 PRO 36 -5.810 1.687 -27.610 270 HD3 PRO 36 HD1 PRO 36 -4.690 2.886 -26.927 271 H ASN 37 HN ASN 37 -8.380 2.477 -28.468 272 HA ASN 37 HA ASN 37 -10.368 3.388 -30.446 273 HB2 ASN 37 HB2 ASN 37 -9.726 0.778 -29.176 274 HB3 ASN 37 HB1 ASN 37 -11.418 1.095 -29.556 275 HD21 ASN 37 HD21 ASN 37 -11.121 2.623 -31.935 276 HD22 ASN 37 HD22 ASN 37 -10.430 1.636 -33.131 277 H LYS 38 HN LYS 38 -9.669 3.690 -27.185 278 HA LYS 38 HA LYS 38 -10.897 4.312 -25.338 279 HB2 LYS 38 HB2 LYS 38 -13.005 5.313 -27.238 280 HB3 LYS 38 HB1 LYS 38 -12.480 6.004 -25.703 281 HG2 LYS 38 HG2 LYS 38 -10.253 6.488 -26.734 282 HG3 LYS 38 HG1 LYS 38 -10.889 5.926 -28.282 283 HD2 LYS 38 HD2 LYS 38 -12.771 7.637 -27.947 284 HD3 LYS 38 HD1 LYS 38 -11.773 8.317 -26.662 285 HE2 LYS 38 HE2 LYS 38 -11.073 8.061 -29.596 286 HE3 LYS 38 HE1 LYS 38 -11.242 9.544 -28.656 287 HZ1 LYS 38 HZ1 LYS 38 -8.954 7.982 -29.019 288 HZ2 LYS 38 HZ2 LYS 38 -9.383 7.886 -27.378 289 HZ3 LYS 38 HZ3 LYS 38 -9.120 9.399 -28.103 290 H LYS 39 HN LYS 39 -11.260 1.654 -26.238 291 HA LYS 39 HA LYS 39 -13.999 1.170 -25.266 292 HB2 LYS 39 HB2 LYS 39 -14.584 -0.183 -27.020 293 HB3 LYS 39 HB1 LYS 39 -13.465 0.871 -27.883 294 HG2 LYS 39 HG2 LYS 39 -11.626 -0.775 -27.321 295 HG3 LYS 39 HG1 LYS 39 -12.876 -1.863 -26.718 296 HD2 LYS 39 HD2 LYS 39 -13.117 -0.690 -29.476 297 HD3 LYS 39 HD1 LYS 39 -12.082 -2.094 -29.203 298 HE2 LYS 39 HE2 LYS 39 -14.210 -2.995 -29.778 299 HE3 LYS 39 HE1 LYS 39 -14.100 -3.154 -28.024 300 HZ1 LYS 39 HZ1 LYS 39 -15.581 -1.461 -27.683 301 HZ2 LYS 39 HZ2 LYS 39 -16.204 -2.123 -29.119 302 HZ3 LYS 39 HZ3 LYS 39 -15.260 -0.712 -29.171 303 H VAL 40 HN VAL 40 -14.281 -0.871 -24.212 304 HA VAL 40 HA VAL 40 -11.755 -2.197 -23.441 305 HB VAL 40 HB VAL 40 -13.389 -2.486 -21.236 306 HG11 VAL 40 HG11 VAL 40 -11.854 -0.581 -20.339 307 HG12 VAL 40 HG12 VAL 40 -11.126 -0.627 -21.944 308 HG13 VAL 40 HG13 VAL 40 -11.097 -2.064 -20.921 309 HG21 VAL 40 HG21 VAL 40 -14.343 -0.362 -20.710 310 HG22 VAL 40 HG22 VAL 40 -14.858 -0.707 -22.362 311 HG23 VAL 40 HG23 VAL 40 -13.534 0.420 -22.068 312 H CYS 41 HN CYS 41 -11.800 -4.278 -23.961 313 HA CYS 41 HA CYS 41 -14.425 -5.630 -24.135 314 HB2 CYS 41 HB2 CYS 41 -13.490 -5.821 -26.267 315 HB3 CYS 41 HB1 CYS 41 -11.848 -5.964 -25.642 316 HG CYS 41 HG CYS 41 -13.532 -8.293 -26.290 317 H ILE 42 HN ILE 42 -14.820 -6.804 -22.377 318 HA ILE 42 HA ILE 42 -12.589 -8.344 -21.205 319 HB ILE 42 HB ILE 42 -12.891 -6.802 -19.532 320 HG12 ILE 42 HG12 ILE 42 -15.217 -8.614 -18.850 321 HG13 ILE 42 HG11 ILE 42 -13.542 -9.164 -18.771 322 HG21 ILE 42 HG21 ILE 42 -14.620 -5.503 -20.653 323 HG22 ILE 42 HG22 ILE 42 -15.111 -5.800 -18.986 324 HG23 ILE 42 HG23 ILE 42 -15.823 -6.742 -20.295 325 HD11 ILE 42 HD11 ILE 42 -14.648 -6.759 -17.293 326 HD12 ILE 42 HD12 ILE 42 -13.004 -7.385 -17.175 327 HD13 ILE 42 HD13 ILE 42 -14.358 -8.340 -16.571 328 H GLU 43 HN GLU 43 -12.962 -10.435 -20.730 329 HA GLU 43 HA GLU 43 -15.659 -11.490 -21.336 330 HB2 GLU 43 HB2 GLU 43 -14.012 -12.459 -22.800 331 HB3 GLU 43 HB1 GLU 43 -12.917 -12.766 -21.452 332 HG2 GLU 43 HG2 GLU 43 -14.220 -14.520 -20.616 333 HG3 GLU 43 HG1 GLU 43 -15.675 -13.960 -21.439 334 H SER 44 HN SER 44 -16.802 -11.921 -19.544 335 HA SER 44 HA SER 44 -15.392 -13.128 -17.254 336 HB2 SER 44 HB2 SER 44 -15.726 -10.705 -16.820 337 HB3 SER 44 HB1 SER 44 -17.461 -10.933 -17.027 338 HG SER 44 HG SER 44 -17.558 -11.833 -15.122 339 H GLU 45 HN GLU 45 -16.889 -14.113 -15.685 340 HA GLU 45 HA GLU 45 -18.792 -15.786 -17.047 341 HB2 GLU 45 HB2 GLU 45 -18.469 -15.669 -14.069 342 HB3 GLU 45 HB1 GLU 45 -18.771 -17.065 -15.104 343 HG2 GLU 45 HG2 GLU 45 -16.394 -16.285 -16.113 344 HG3 GLU 45 HG1 GLU 45 -16.205 -15.711 -14.457 345 H HIS 46 HN HIS 46 -18.902 -12.811 -15.344 346 HA HIS 46 HA HIS 46 -21.750 -13.075 -14.707 347 HB2 HIS 46 HB2 HIS 46 -19.979 -12.010 -13.155 348 HB3 HIS 46 HB1 HIS 46 -20.071 -10.624 -14.242 349 HD1 HIS 46 HD1 HIS 46 -21.604 -11.916 -11.271 350 HD2 HIS 46 HD2 HIS 46 -23.006 -9.828 -14.596 351 HE1 HIS 46 HE1 HIS 46 -23.829 -10.908 -10.599 352 H SER 47 HN SER 47 -19.755 -10.535 -16.194 353 HA SER 47 HA SER 47 -20.100 -9.211 -18.042 354 HB2 SER 47 HB2 SER 47 -22.404 -10.922 -18.903 355 HB3 SER 47 HB1 SER 47 -21.191 -10.108 -19.887 356 HG SER 47 HG SER 47 -19.758 -11.668 -19.429 357 H MET 48 HN MET 48 -21.104 -8.174 -15.832 358 HA MET 48 HA MET 48 -22.835 -6.234 -16.418 359 HB2 MET 48 HB2 MET 48 -24.324 -8.802 -16.248 360 HB3 MET 48 HB1 MET 48 -25.055 -7.416 -15.443 361 HG2 MET 48 HG2 MET 48 -24.012 -6.803 -18.127 362 HG3 MET 48 HG1 MET 48 -25.317 -7.987 -18.120 363 HE1 MET 48 HE1 MET 48 -28.377 -6.309 -16.898 364 HE2 MET 48 HE2 MET 48 -27.367 -7.676 -16.435 365 HE3 MET 48 HE3 MET 48 -27.707 -7.380 -18.137 366 H ASP 49 HN ASP 49 -20.893 -6.577 -14.590 367 HA ASP 49 HA ASP 49 -22.081 -5.574 -12.218 368 HB2 ASP 49 HB2 ASP 49 -22.108 -8.350 -12.322 369 HB3 ASP 49 HB1 ASP 49 -20.678 -7.976 -11.360 370 H THR 50 HN THR 50 -19.290 -7.160 -13.689 371 HA THR 50 HA THR 50 -17.403 -5.867 -11.932 372 HB THR 50 HB THR 50 -16.595 -7.907 -12.701 373 HG1 THR 50 HG1 THR 50 -15.394 -6.726 -14.815 374 HG21 THR 50 HG21 THR 50 -17.882 -7.109 -15.298 375 HG22 THR 50 HG22 THR 50 -18.124 -8.572 -14.344 376 HG23 THR 50 HG23 THR 50 -16.640 -8.360 -15.273 377 H LEU 51 HN LEU 51 -18.516 -5.423 -15.279 378 HA LEU 51 HA LEU 51 -16.691 -3.381 -15.968 379 HB2 LEU 51 HB2 LEU 51 -19.358 -4.263 -17.022 380 HB3 LEU 51 HB1 LEU 51 -18.565 -2.828 -17.666 381 HG LEU 51 HG LEU 51 -16.711 -5.067 -17.410 382 HD11 LEU 51 HD11 LEU 51 -17.835 -6.197 -19.495 383 HD12 LEU 51 HD12 LEU 51 -19.309 -5.460 -18.868 384 HD13 LEU 51 HD13 LEU 51 -18.406 -6.605 -17.877 385 HD21 LEU 51 HD21 LEU 51 -16.621 -4.513 -19.983 386 HD22 LEU 51 HD22 LEU 51 -16.001 -3.343 -18.820 387 HD23 LEU 51 HD23 LEU 51 -17.598 -3.121 -19.529 388 H LEU 52 HN LEU 52 -20.135 -3.112 -15.041 389 HA LEU 52 HA LEU 52 -20.274 -0.333 -15.045 390 HB2 LEU 52 HB2 LEU 52 -22.107 -0.844 -13.198 391 HB3 LEU 52 HB1 LEU 52 -22.367 -1.249 -14.892 392 HG LEU 52 HG LEU 52 -21.028 -3.254 -13.104 393 HD11 LEU 52 HD11 LEU 52 -23.550 -4.095 -12.886 394 HD12 LEU 52 HD12 LEU 52 -23.882 -2.369 -13.010 395 HD13 LEU 52 HD13 LEU 52 -22.854 -2.977 -11.712 396 HD21 LEU 52 HD21 LEU 52 -23.077 -4.194 -14.931 397 HD22 LEU 52 HD22 LEU 52 -21.361 -4.593 -14.891 398 HD23 LEU 52 HD23 LEU 52 -21.916 -3.175 -15.780 399 H ALA 53 HN ALA 53 -19.693 -2.467 -12.228 400 HA ALA 53 HA ALA 53 -19.432 -0.445 -10.323 401 HB1 ALA 53 HB1 ALA 53 -18.049 -2.114 -9.057 402 HB2 ALA 53 HB2 ALA 53 -18.104 -3.156 -10.478 403 HB3 ALA 53 HB3 ALA 53 -19.593 -2.744 -9.628 404 H THR 54 HN THR 54 -16.911 -1.977 -12.318 405 HA THR 54 HA THR 54 -14.789 -0.402 -11.260 406 HB THR 54 HB THR 54 -14.956 -1.889 -13.886 407 HG1 THR 54 HG1 THR 54 -15.259 -3.035 -11.810 408 HG21 THR 54 HG21 THR 54 -12.967 -0.145 -12.783 409 HG22 THR 54 HG22 THR 54 -12.903 -1.070 -14.284 410 HG23 THR 54 HG23 THR 54 -12.337 -1.793 -12.777 411 H LEU 55 HN LEU 55 -16.579 -0.206 -14.347 412 HA LEU 55 HA LEU 55 -15.241 2.088 -15.300 413 HB2 LEU 55 HB2 LEU 55 -17.797 0.698 -15.991 414 HB3 LEU 55 HB1 LEU 55 -17.468 2.284 -16.675 415 HG LEU 55 HG LEU 55 -15.520 1.537 -17.787 416 HD11 LEU 55 HD11 LEU 55 -14.300 0.333 -16.174 417 HD12 LEU 55 HD12 LEU 55 -14.744 -0.912 -17.339 418 HD13 LEU 55 HD13 LEU 55 -15.646 -0.754 -15.834 419 HD21 LEU 55 HD21 LEU 55 -16.419 0.020 -19.279 420 HD22 LEU 55 HD22 LEU 55 -17.891 0.470 -18.418 421 HD23 LEU 55 HD23 LEU 55 -17.048 -1.021 -18.002 422 H LYS 56 HN LYS 56 -18.299 1.764 -13.495 423 HA LYS 56 HA LYS 56 -18.920 4.546 -13.611 424 HB2 LYS 56 HB2 LYS 56 -20.797 4.025 -12.389 425 HB3 LYS 56 HB1 LYS 56 -20.417 2.439 -13.055 426 HG2 LYS 56 HG2 LYS 56 -18.989 2.109 -10.918 427 HG3 LYS 56 HG1 LYS 56 -19.892 3.482 -10.275 428 HD2 LYS 56 HD2 LYS 56 -22.015 2.237 -10.928 429 HD3 LYS 56 HD1 LYS 56 -20.994 0.828 -11.223 430 HE2 LYS 56 HE2 LYS 56 -21.217 0.363 -9.024 431 HE3 LYS 56 HE1 LYS 56 -20.160 1.743 -8.727 432 HZ1 LYS 56 HZ1 LYS 56 -22.227 1.927 -7.490 433 HZ2 LYS 56 HZ2 LYS 56 -23.122 1.846 -8.932 434 HZ3 LYS 56 HZ3 LYS 56 -22.100 3.172 -8.635 435 H LYS 57 HN LYS 57 -16.671 2.794 -11.720 436 HA LYS 57 HA LYS 57 -16.705 4.104 -9.276 437 HB2 LYS 57 HB2 LYS 57 -14.956 2.357 -10.601 438 HB3 LYS 57 HB1 LYS 57 -13.979 3.766 -10.186 439 HG2 LYS 57 HG2 LYS 57 -14.593 3.603 -7.862 440 HG3 LYS 57 HG1 LYS 57 -15.796 2.362 -8.212 441 HD2 LYS 57 HD2 LYS 57 -13.885 0.934 -9.105 442 HD3 LYS 57 HD1 LYS 57 -12.786 2.122 -8.404 443 HE2 LYS 57 HE2 LYS 57 -13.880 1.766 -6.187 444 HE3 LYS 57 HE1 LYS 57 -14.866 0.496 -6.911 445 HZ1 LYS 57 HZ1 LYS 57 -11.920 0.444 -7.106 446 HZ2 LYS 57 HZ2 LYS 57 -13.020 -0.839 -7.276 447 HZ3 LYS 57 HZ3 LYS 57 -12.715 -0.175 -5.742 448 H THR 58 HN THR 58 -15.259 5.172 -12.338 449 HA THR 58 HA THR 58 -14.280 7.624 -11.118 450 HB THR 58 HB THR 58 -12.796 7.303 -12.788 451 HG1 THR 58 HG1 THR 58 -15.045 8.105 -14.312 452 HG21 THR 58 HG21 THR 58 -14.927 5.636 -14.153 453 HG22 THR 58 HG22 THR 58 -13.545 5.038 -13.232 454 HG23 THR 58 HG23 THR 58 -13.291 5.855 -14.771 455 H GLY 59 HN GLY 59 -16.967 6.525 -13.079 456 HA2 GLY 59 HA2 GLY 59 -19.065 7.763 -12.891 457 HA3 GLY 59 HA1 GLY 59 -18.117 9.247 -12.919 458 H ALA 60 HN ALA 60 -17.004 6.802 -15.018 459 HA ALA 60 HA ALA 60 -17.575 8.397 -17.339 460 HB1 ALA 60 HB1 ALA 60 -16.535 5.561 -17.281 461 HB2 ALA 60 HB2 ALA 60 -15.511 6.969 -16.999 462 HB3 ALA 60 HB3 ALA 60 -16.321 6.762 -18.552 463 H THR 61 HN THR 61 -18.925 7.905 -19.067 464 HA THR 61 HA THR 61 -21.378 6.607 -18.413 465 HB THR 61 HB THR 61 -21.767 6.963 -20.950 466 HG1 THR 61 HG1 THR 61 -19.532 7.144 -21.434 467 HG21 THR 61 HG21 THR 61 -22.383 9.214 -20.545 468 HG22 THR 61 HG22 THR 61 -21.074 9.449 -19.387 469 HG23 THR 61 HG23 THR 61 -22.460 8.444 -18.961 470 H VAL 62 HN VAL 62 -21.763 4.486 -18.442 471 HA VAL 62 HA VAL 62 -20.071 2.759 -20.118 472 HB VAL 62 HB VAL 62 -20.382 1.078 -18.536 473 HG11 VAL 62 HG11 VAL 62 -19.659 2.027 -16.500 474 HG12 VAL 62 HG12 VAL 62 -20.615 3.488 -16.749 475 HG13 VAL 62 HG13 VAL 62 -19.168 3.205 -17.717 476 HG21 VAL 62 HG21 VAL 62 -22.704 0.918 -18.256 477 HG22 VAL 62 HG22 VAL 62 -22.860 2.622 -17.831 478 HG23 VAL 62 HG23 VAL 62 -22.175 1.482 -16.672 479 H SER 63 HN SER 63 -20.965 1.457 -21.634 480 HA SER 63 HA SER 63 -23.897 1.224 -21.755 481 HB2 SER 63 HB2 SER 63 -22.082 2.159 -23.982 482 HB3 SER 63 HB1 SER 63 -23.719 1.570 -24.258 483 HG SER 63 HG SER 63 -24.408 3.444 -23.631 484 H TYR 64 HN TYR 64 -24.363 -0.880 -21.765 485 HA TYR 64 HA TYR 64 -22.381 -2.833 -22.579 486 HB2 TYR 64 HB2 TYR 64 -23.606 -4.346 -21.392 487 HB3 TYR 64 HB1 TYR 64 -24.267 -2.889 -20.653 488 HD1 TYR 64 HD2 TYR 64 -24.842 -5.459 -23.274 489 HD2 TYR 64 HD1 TYR 64 -26.537 -2.229 -21.008 490 HE1 TYR 64 HE2 TYR 64 -27.099 -6.056 -24.112 491 HE2 TYR 64 HE1 TYR 64 -28.795 -2.825 -21.845 492 HH TYR 64 HH TYR 64 -29.840 -5.204 -22.771 493 H LEU 65 HN LEU 65 -22.242 -3.760 -24.517 494 HA LEU 65 HA LEU 65 -24.145 -3.037 -26.584 495 HB2 LEU 65 HB2 LEU 65 -21.514 -4.487 -26.536 496 HB3 LEU 65 HB1 LEU 65 -22.542 -4.538 -27.968 497 HG LEU 65 HG LEU 65 -21.986 -1.885 -26.688 498 HD11 LEU 65 HD11 LEU 65 -20.047 -3.594 -28.215 499 HD12 LEU 65 HD12 LEU 65 -19.750 -2.517 -26.850 500 HD13 LEU 65 HD13 LEU 65 -20.028 -1.846 -28.458 501 HD21 LEU 65 HD21 LEU 65 -22.651 -1.055 -28.734 502 HD22 LEU 65 HD22 LEU 65 -23.510 -2.595 -28.788 503 HD23 LEU 65 HD23 LEU 65 -21.968 -2.415 -29.625 504 H GLY 66 HN GLY 66 -22.990 -6.029 -25.039 505 HA2 GLY 66 HA2 GLY 66 -25.291 -7.402 -24.749 506 HA3 GLY 66 HA1 GLY 66 -24.939 -7.645 -26.456 507 H LEU 67 HN LEU 67 -24.914 -9.941 -25.548 508 HA LEU 67 HA LEU 67 -22.286 -10.608 -24.386 509 HB2 LEU 67 HB2 LEU 67 -24.801 -12.280 -24.607 510 HB3 LEU 67 HB1 LEU 67 -23.299 -12.781 -23.832 511 HG LEU 67 HG LEU 67 -24.793 -10.286 -23.006 512 HD11 LEU 67 HD11 LEU 67 -25.773 -11.599 -21.188 513 HD12 LEU 67 HD12 LEU 67 -24.981 -13.057 -21.787 514 HD13 LEU 67 HD13 LEU 67 -26.248 -12.286 -22.742 515 HD21 LEU 67 HD21 LEU 67 -22.342 -11.688 -22.200 516 HD22 LEU 67 HD22 LEU 67 -23.423 -11.358 -20.847 517 HD23 LEU 67 HD23 LEU 67 -22.851 -10.034 -21.862 518 H GLU 68 HN GLU 68 -21.017 -12.258 -25.312 519 HA GLU 68 HA GLU 68 -21.670 -13.746 -27.599 520 HB2 GLU 68 HB2 GLU 68 -21.431 -11.115 -28.296 521 HB3 GLU 68 HB1 GLU 68 -19.786 -11.696 -28.556 522 HG2 GLU 68 HG2 GLU 68 -20.819 -12.156 -30.612 523 HG3 GLU 68 HG1 GLU 68 -20.942 -13.697 -29.765 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -17.418 -19.615 -23.208 2 H2 MET 1 HT2 MET 1 -16.295 -20.483 -22.274 3 H3 MET 1 HT3 MET 1 -15.922 -20.053 -23.876 4 HA MET 1 HA MET 1 -15.892 -18.426 -21.449 5 HB2 MET 1 HB2 MET 1 -14.274 -18.337 -24.011 6 HB3 MET 1 HB1 MET 1 -13.881 -17.545 -22.484 7 HG2 MET 1 HG2 MET 1 -14.346 -20.476 -22.350 8 HG3 MET 1 HG1 MET 1 -12.881 -19.961 -23.184 9 HE1 MET 1 HE1 MET 1 -10.491 -19.138 -21.322 10 HE2 MET 1 HE2 MET 1 -11.241 -17.572 -21.021 11 HE3 MET 1 HE3 MET 1 -11.475 -18.368 -22.575 12 HA PRO 2 HA PRO 2 -18.871 -15.946 -23.927 13 HB2 PRO 2 HB2 PRO 2 -19.423 -14.769 -21.280 14 HB3 PRO 2 HB1 PRO 2 -20.539 -15.528 -22.428 15 HG2 PRO 2 HG2 PRO 2 -19.820 -16.691 -20.110 16 HG3 PRO 2 HG1 PRO 2 -20.217 -17.614 -21.568 17 HD2 PRO 2 HD2 PRO 2 -17.531 -17.030 -20.380 18 HD3 PRO 2 HD1 PRO 2 -18.097 -18.482 -21.236 19 H LYS 3 HN LYS 3 -18.547 -13.909 -24.741 20 HA LYS 3 HA LYS 3 -16.428 -12.293 -23.460 21 HB2 LYS 3 HB2 LYS 3 -17.087 -12.889 -26.303 22 HB3 LYS 3 HB1 LYS 3 -16.466 -11.280 -25.928 23 HG2 LYS 3 HG2 LYS 3 -14.479 -12.193 -24.922 24 HG3 LYS 3 HG1 LYS 3 -15.130 -13.831 -24.992 25 HD2 LYS 3 HD2 LYS 3 -15.252 -12.791 -27.632 26 HD3 LYS 3 HD1 LYS 3 -13.649 -12.405 -27.006 27 HE2 LYS 3 HE2 LYS 3 -14.949 -15.114 -27.286 28 HE3 LYS 3 HE1 LYS 3 -13.398 -14.571 -27.925 29 HZ1 LYS 3 HZ1 LYS 3 -12.643 -15.657 -26.116 30 HZ2 LYS 3 HZ2 LYS 3 -14.092 -15.477 -25.248 31 HZ3 LYS 3 HZ3 LYS 3 -12.989 -14.188 -25.344 32 H HIS 4 HN HIS 4 -16.952 -10.349 -22.711 33 HA HIS 4 HA HIS 4 -19.533 -9.166 -23.548 34 HB2 HIS 4 HB2 HIS 4 -18.898 -9.984 -21.036 35 HB3 HIS 4 HB1 HIS 4 -18.341 -8.312 -20.980 36 HD1 HIS 4 HD1 HIS 4 -21.450 -10.370 -21.593 37 HD2 HIS 4 HD2 HIS 4 -20.396 -6.387 -20.976 38 HE1 HIS 4 HE1 HIS 4 -23.617 -9.094 -21.291 39 H GLU 5 HN GLU 5 -19.457 -7.189 -24.457 40 HA GLU 5 HA GLU 5 -16.902 -5.704 -24.282 41 HB2 GLU 5 HB2 GLU 5 -18.491 -6.509 -26.538 42 HB3 GLU 5 HB1 GLU 5 -18.433 -4.748 -26.464 43 HG2 GLU 5 HG2 GLU 5 -15.974 -6.499 -26.229 44 HG3 GLU 5 HG1 GLU 5 -16.536 -5.821 -27.757 45 H PHE 6 HN PHE 6 -16.942 -3.742 -23.386 46 HA PHE 6 HA PHE 6 -19.555 -2.386 -23.091 47 HB2 PHE 6 HB2 PHE 6 -17.612 -3.200 -21.059 48 HB3 PHE 6 HB1 PHE 6 -18.014 -1.484 -20.974 49 HD1 PHE 6 HD2 PHE 6 -20.036 -4.475 -21.970 50 HD2 PHE 6 HD1 PHE 6 -19.578 -1.179 -19.261 51 HE1 PHE 6 HE2 PHE 6 -22.210 -5.042 -20.919 52 HE2 PHE 6 HE1 PHE 6 -21.751 -1.744 -18.206 53 HZ PHE 6 HZ PHE 6 -23.067 -3.676 -19.035 54 H SER 7 HN SER 7 -19.604 -0.227 -23.525 55 HA SER 7 HA SER 7 -17.066 0.999 -24.423 56 HB2 SER 7 HB2 SER 7 -18.453 0.884 -26.322 57 HB3 SER 7 HB1 SER 7 -19.899 1.285 -25.400 58 HG SER 7 HG SER 7 -18.427 2.936 -26.737 59 H VAL 8 HN VAL 8 -16.317 2.486 -23.066 60 HA VAL 8 HA VAL 8 -18.256 4.224 -21.668 61 HB VAL 8 HB VAL 8 -17.380 2.564 -20.083 62 HG11 VAL 8 HG11 VAL 8 -15.008 2.906 -21.569 63 HG12 VAL 8 HG12 VAL 8 -15.237 1.880 -20.155 64 HG13 VAL 8 HG13 VAL 8 -14.655 3.533 -19.959 65 HG21 VAL 8 HG21 VAL 8 -17.550 4.281 -18.628 66 HG22 VAL 8 HG22 VAL 8 -17.102 5.435 -19.883 67 HG23 VAL 8 HG23 VAL 8 -15.851 4.647 -18.923 68 H ASP 9 HN ASP 9 -17.794 6.361 -21.683 69 HA ASP 9 HA ASP 9 -15.624 7.285 -23.355 70 HB2 ASP 9 HB2 ASP 9 -18.122 8.284 -22.625 71 HB3 ASP 9 HB1 ASP 9 -16.977 9.347 -21.809 72 H MET 10 HN MET 10 -13.612 7.438 -22.590 73 HA MET 10 HA MET 10 -13.013 7.444 -19.800 74 HB2 MET 10 HB2 MET 10 -11.297 7.927 -22.242 75 HB3 MET 10 HB1 MET 10 -10.662 7.831 -20.599 76 HG2 MET 10 HG2 MET 10 -12.178 5.580 -20.655 77 HG3 MET 10 HG1 MET 10 -11.704 5.678 -22.351 78 HE1 MET 10 HE1 MET 10 -8.856 3.525 -22.145 79 HE2 MET 10 HE2 MET 10 -9.264 4.871 -23.207 80 HE3 MET 10 HE3 MET 10 -10.540 3.814 -22.605 81 H THR 11 HN THR 11 -13.198 9.107 -18.482 82 HA THR 11 HA THR 11 -12.803 11.839 -19.545 83 HB THR 11 HB THR 11 -14.989 11.749 -18.659 84 HG1 THR 11 HG1 THR 11 -13.144 12.649 -16.717 85 HG21 THR 11 HG21 THR 11 -15.142 10.834 -16.162 86 HG22 THR 11 HG22 THR 11 -13.729 9.910 -16.672 87 HG23 THR 11 HG23 THR 11 -15.253 9.745 -17.545 88 H CYS 12 HN CYS 12 -11.999 9.559 -17.001 89 HA CYS 12 HA CYS 12 -9.961 11.415 -15.954 90 HB2 CYS 12 HB2 CYS 12 -11.673 9.338 -14.741 91 HB3 CYS 12 HB1 CYS 12 -10.011 9.396 -14.155 92 HG CYS 12 HG CYS 12 -10.397 11.697 -13.194 93 H GLY 13 HN GLY 13 -9.618 9.932 -18.412 94 HA2 GLY 13 HA2 GLY 13 -8.391 7.683 -18.765 95 HA3 GLY 13 HA1 GLY 13 -7.517 9.139 -19.233 96 H GLY 14 HN GLY 14 -6.733 10.230 -16.893 97 HA2 GLY 14 HA2 GLY 14 -4.515 8.642 -16.127 98 HA3 GLY 14 HA1 GLY 14 -5.050 10.116 -15.323 99 H CYS 15 HN CYS 15 -7.467 9.558 -14.334 100 HA CYS 15 HA CYS 15 -6.872 7.652 -12.226 101 HB2 CYS 15 HB2 CYS 15 -9.554 8.687 -12.105 102 HB3 CYS 15 HB1 CYS 15 -8.200 8.990 -11.017 103 HG CYS 15 HG CYS 15 -7.505 11.018 -12.454 104 H ALA 16 HN ALA 16 -9.317 8.041 -14.796 105 HA ALA 16 HA ALA 16 -10.883 5.789 -14.245 106 HB1 ALA 16 HB1 ALA 16 -11.795 6.075 -16.360 107 HB2 ALA 16 HB2 ALA 16 -10.249 6.517 -17.084 108 HB3 ALA 16 HB3 ALA 16 -11.113 7.675 -16.071 109 H GLU 17 HN GLU 17 -7.750 6.062 -15.825 110 HA GLU 17 HA GLU 17 -7.642 3.482 -16.973 111 HB2 GLU 17 HB2 GLU 17 -6.002 5.049 -17.679 112 HB3 GLU 17 HB1 GLU 17 -5.502 5.386 -16.020 113 HG2 GLU 17 HG2 GLU 17 -3.959 3.850 -17.344 114 HG3 GLU 17 HG1 GLU 17 -4.500 3.230 -15.785 115 H ALA 18 HN ALA 18 -6.714 4.707 -13.775 116 HA ALA 18 HA ALA 18 -5.690 2.209 -12.824 117 HB1 ALA 18 HB1 ALA 18 -5.709 4.840 -11.908 118 HB2 ALA 18 HB2 ALA 18 -5.067 3.442 -11.046 119 HB3 ALA 18 HB3 ALA 18 -6.721 3.977 -10.750 120 H VAL 19 HN VAL 19 -8.819 3.746 -12.938 121 HA VAL 19 HA VAL 19 -10.205 2.213 -11.039 122 HB VAL 19 HB VAL 19 -11.074 3.620 -13.558 123 HG11 VAL 19 HG11 VAL 19 -12.717 2.013 -11.593 124 HG12 VAL 19 HG12 VAL 19 -12.628 1.809 -13.343 125 HG13 VAL 19 HG13 VAL 19 -13.414 3.233 -12.661 126 HG21 VAL 19 HG21 VAL 19 -10.608 5.204 -11.893 127 HG22 VAL 19 HG22 VAL 19 -11.146 4.140 -10.594 128 HG23 VAL 19 HG23 VAL 19 -12.329 4.909 -11.651 129 H SER 20 HN SER 20 -9.379 1.578 -14.407 130 HA SER 20 HA SER 20 -11.007 -0.641 -14.891 131 HB2 SER 20 HB2 SER 20 -9.158 0.688 -16.351 132 HB3 SER 20 HB1 SER 20 -8.239 -0.760 -15.950 133 HG SER 20 HG SER 20 -10.046 -1.974 -16.735 134 H ARG 21 HN ARG 21 -7.992 -0.334 -13.123 135 HA ARG 21 HA ARG 21 -7.251 -3.018 -12.896 136 HB2 ARG 21 HB2 ARG 21 -7.000 -0.804 -10.841 137 HB3 ARG 21 HB1 ARG 21 -6.130 -2.338 -10.795 138 HG2 ARG 21 HG2 ARG 21 -5.024 -1.825 -12.904 139 HG3 ARG 21 HG1 ARG 21 -5.965 -0.343 -13.071 140 HD2 ARG 21 HD2 ARG 21 -4.188 0.641 -12.052 141 HD3 ARG 21 HD1 ARG 21 -4.893 -0.013 -10.577 142 HE ARG 21 HE ARG 21 -3.048 -1.394 -10.438 143 HH11 ARG 21 HH21 ARG 21 -3.617 -0.462 -13.722 144 HH12 ARG 21 HH22 ARG 21 -2.232 -1.296 -14.345 145 HH21 ARG 21 HH11 ARG 21 -1.227 -2.488 -11.248 146 HH22 ARG 21 HH12 ARG 21 -0.878 -2.442 -12.944 147 H VAL 22 HN VAL 22 -9.604 -1.105 -11.099 148 HA VAL 22 HA VAL 22 -10.222 -2.897 -9.047 149 HB VAL 22 HB VAL 22 -12.149 -1.052 -10.475 150 HG11 VAL 22 HG11 VAL 22 -12.073 -2.108 -7.631 151 HG12 VAL 22 HG12 VAL 22 -13.169 -2.666 -8.895 152 HG13 VAL 22 HG13 VAL 22 -13.284 -1.012 -8.295 153 HG21 VAL 22 HG21 VAL 22 -9.796 -0.222 -9.491 154 HG22 VAL 22 HG22 VAL 22 -10.705 -0.273 -7.980 155 HG23 VAL 22 HG23 VAL 22 -11.267 0.735 -9.313 156 H LEU 23 HN LEU 23 -10.885 -3.070 -12.425 157 HA LEU 23 HA LEU 23 -13.208 -4.655 -12.447 158 HB2 LEU 23 HB2 LEU 23 -12.164 -3.574 -14.453 159 HB3 LEU 23 HB1 LEU 23 -10.907 -4.812 -14.405 160 HG LEU 23 HG LEU 23 -13.222 -6.308 -14.239 161 HD11 LEU 23 HD11 LEU 23 -14.802 -5.476 -15.816 162 HD12 LEU 23 HD12 LEU 23 -13.700 -4.215 -16.368 163 HD13 LEU 23 HD13 LEU 23 -14.431 -4.108 -14.767 164 HD21 LEU 23 HD21 LEU 23 -12.751 -6.751 -16.700 165 HD22 LEU 23 HD22 LEU 23 -11.358 -6.923 -15.630 166 HD23 LEU 23 HD23 LEU 23 -11.539 -5.472 -16.617 167 H ASN 24 HN ASN 24 -9.826 -5.462 -11.951 168 HA ASN 24 HA ASN 24 -10.043 -8.266 -12.220 169 HB2 ASN 24 HB2 ASN 24 -8.156 -6.779 -10.386 170 HB3 ASN 24 HB1 ASN 24 -7.922 -8.375 -11.096 171 HD21 ASN 24 HD21 ASN 24 -9.425 -6.488 -13.428 172 HD22 ASN 24 HD22 ASN 24 -8.045 -5.959 -14.265 173 H LYS 25 HN LYS 25 -10.545 -6.073 -9.497 174 HA LYS 25 HA LYS 25 -10.851 -8.076 -7.504 175 HB2 LYS 25 HB2 LYS 25 -12.183 -5.373 -7.419 176 HB3 LYS 25 HB1 LYS 25 -11.558 -6.334 -6.078 177 HG2 LYS 25 HG2 LYS 25 -9.250 -6.052 -7.057 178 HG3 LYS 25 HG1 LYS 25 -9.944 -4.924 -8.221 179 HD2 LYS 25 HD2 LYS 25 -9.088 -3.599 -6.406 180 HD3 LYS 25 HD1 LYS 25 -10.845 -3.603 -6.251 181 HE2 LYS 25 HE2 LYS 25 -9.408 -4.064 -4.125 182 HE3 LYS 25 HE1 LYS 25 -10.808 -5.089 -4.431 183 HZ1 LYS 25 HZ1 LYS 25 -8.094 -5.786 -5.381 184 HZ2 LYS 25 HZ2 LYS 25 -9.455 -6.795 -5.264 185 HZ3 LYS 25 HZ3 LYS 25 -8.668 -6.258 -3.857 186 H LEU 26 HN LEU 26 -13.194 -6.300 -9.517 187 HA LEU 26 HA LEU 26 -15.450 -7.706 -8.391 188 HB2 LEU 26 HB2 LEU 26 -15.188 -5.307 -9.603 189 HB3 LEU 26 HB1 LEU 26 -15.720 -6.283 -10.973 190 HG LEU 26 HG LEU 26 -17.673 -5.376 -9.867 191 HD11 LEU 26 HD11 LEU 26 -18.895 -7.380 -9.603 192 HD12 LEU 26 HD12 LEU 26 -17.510 -8.238 -8.930 193 HD13 LEU 26 HD13 LEU 26 -17.553 -7.846 -10.648 194 HD21 LEU 26 HD21 LEU 26 -17.863 -5.173 -7.614 195 HD22 LEU 26 HD22 LEU 26 -16.145 -5.570 -7.563 196 HD23 LEU 26 HD23 LEU 26 -17.351 -6.838 -7.342 197 H GLY 27 HN GLY 27 -13.582 -7.808 -11.394 198 HA2 GLY 27 HA2 GLY 27 -15.159 -10.113 -12.318 199 HA3 GLY 27 HA1 GLY 27 -14.073 -9.146 -13.310 200 H GLY 28 HN GLY 28 -11.740 -9.122 -12.001 201 HA2 GLY 28 HA2 GLY 28 -9.842 -10.353 -11.553 202 HA3 GLY 28 HA1 GLY 28 -10.904 -11.576 -10.855 203 H VAL 29 HN VAL 29 -11.387 -10.516 -14.119 204 HA VAL 29 HA VAL 29 -10.298 -13.084 -15.111 205 HB VAL 29 HB VAL 29 -12.060 -12.834 -16.921 206 HG11 VAL 29 HG11 VAL 29 -13.292 -13.023 -14.176 207 HG12 VAL 29 HG12 VAL 29 -12.170 -14.256 -14.751 208 HG13 VAL 29 HG13 VAL 29 -13.674 -13.959 -15.621 209 HG21 VAL 29 HG21 VAL 29 -12.365 -10.320 -15.772 210 HG22 VAL 29 HG22 VAL 29 -13.761 -11.215 -15.173 211 HG23 VAL 29 HG23 VAL 29 -13.483 -11.072 -16.909 212 H LYS 30 HN LYS 30 -10.180 -12.871 -17.661 213 HA LYS 30 HA LYS 30 -8.007 -11.208 -18.247 214 HB2 LYS 30 HB2 LYS 30 -9.900 -12.868 -19.840 215 HB3 LYS 30 HB1 LYS 30 -8.925 -11.682 -20.707 216 HG2 LYS 30 HG2 LYS 30 -6.951 -12.768 -20.258 217 HG3 LYS 30 HG1 LYS 30 -7.514 -13.363 -18.696 218 HD2 LYS 30 HD2 LYS 30 -8.420 -15.258 -19.592 219 HD3 LYS 30 HD1 LYS 30 -8.948 -14.433 -21.060 220 HE2 LYS 30 HE2 LYS 30 -7.108 -16.103 -21.450 221 HE3 LYS 30 HE1 LYS 30 -6.700 -14.466 -21.963 222 HZ1 LYS 30 HZ1 LYS 30 -4.998 -14.471 -20.573 223 HZ2 LYS 30 HZ2 LYS 30 -5.356 -16.069 -20.123 224 HZ3 LYS 30 HZ3 LYS 30 -6.024 -14.770 -19.256 225 H TYR 31 HN TYR 31 -7.835 -9.147 -18.858 226 HA TYR 31 HA TYR 31 -10.262 -7.731 -19.767 227 HB2 TYR 31 HB2 TYR 31 -9.592 -5.777 -18.432 228 HB3 TYR 31 HB1 TYR 31 -9.872 -7.183 -17.403 229 HD1 TYR 31 HD2 TYR 31 -7.830 -8.629 -16.769 230 HD2 TYR 31 HD1 TYR 31 -7.517 -4.662 -18.389 231 HE1 TYR 31 HE2 TYR 31 -5.514 -8.457 -15.900 232 HE2 TYR 31 HE1 TYR 31 -5.201 -4.491 -17.520 233 HH TYR 31 HH TYR 31 -3.932 -5.789 -15.403 234 H ASP 32 HN ASP 32 -9.894 -5.925 -21.129 235 HA ASP 32 HA ASP 32 -7.176 -5.417 -22.069 236 HB2 ASP 32 HB2 ASP 32 -9.365 -6.458 -23.884 237 HB3 ASP 32 HB1 ASP 32 -7.840 -5.776 -24.444 238 H ILE 33 HN ILE 33 -6.940 -3.292 -22.419 239 HA ILE 33 HA ILE 33 -9.381 -1.685 -22.876 240 HB ILE 33 HB ILE 33 -7.674 0.136 -21.908 241 HG12 ILE 33 HG12 ILE 33 -5.960 -1.787 -21.682 242 HG13 ILE 33 HG11 ILE 33 -6.184 -0.730 -20.288 243 HG21 ILE 33 HG21 ILE 33 -9.590 -1.748 -20.590 244 HG22 ILE 33 HG22 ILE 33 -9.708 -0.002 -20.810 245 HG23 ILE 33 HG23 ILE 33 -8.642 -0.665 -19.571 246 HD11 ILE 33 HD11 ILE 33 -6.340 -3.481 -20.221 247 HD12 ILE 33 HD12 ILE 33 -8.036 -3.016 -20.336 248 HD13 ILE 33 HD13 ILE 33 -7.042 -2.401 -19.017 249 H ASP 34 HN ASP 34 -9.460 -0.481 -24.673 250 HA ASP 34 HA ASP 34 -6.993 -0.243 -26.281 251 HB2 ASP 34 HB2 ASP 34 -9.816 0.135 -27.278 252 HB3 ASP 34 HB1 ASP 34 -8.355 -0.143 -28.224 253 H LEU 35 HN LEU 35 -6.091 1.632 -25.602 254 HA LEU 35 HA LEU 35 -7.452 3.949 -24.797 255 HB2 LEU 35 HB2 LEU 35 -4.749 3.121 -25.151 256 HB3 LEU 35 HB1 LEU 35 -4.949 4.680 -25.951 257 HG LEU 35 HG LEU 35 -6.005 5.576 -23.883 258 HD11 LEU 35 HD11 LEU 35 -6.232 2.851 -23.235 259 HD12 LEU 35 HD12 LEU 35 -6.642 4.219 -22.201 260 HD13 LEU 35 HD13 LEU 35 -5.038 3.492 -22.106 261 HD21 LEU 35 HD21 LEU 35 -3.912 5.587 -22.513 262 HD22 LEU 35 HD22 LEU 35 -3.608 5.906 -24.221 263 HD23 LEU 35 HD23 LEU 35 -3.265 4.312 -23.548 264 HA PRO 36 HA PRO 36 -6.592 5.719 -29.244 265 HB2 PRO 36 HB2 PRO 36 -6.516 3.713 -31.190 266 HB3 PRO 36 HB1 PRO 36 -5.120 4.599 -30.556 267 HG2 PRO 36 HG2 PRO 36 -6.105 1.892 -29.889 268 HG3 PRO 36 HG1 PRO 36 -4.451 2.525 -29.916 269 HD2 PRO 36 HD2 PRO 36 -5.816 2.080 -27.607 270 HD3 PRO 36 HD1 PRO 36 -4.587 3.352 -27.759 271 H ASN 37 HN ASN 37 -8.548 2.874 -28.635 272 HA ASN 37 HA ASN 37 -10.662 3.952 -30.386 273 HB2 ASN 37 HB2 ASN 37 -9.755 1.284 -29.784 274 HB3 ASN 37 HB1 ASN 37 -11.458 1.450 -29.363 275 HD21 ASN 37 HD21 ASN 37 -9.887 3.322 -31.951 276 HD22 ASN 37 HD22 ASN 37 -10.746 2.596 -33.222 277 H LYS 38 HN LYS 38 -9.695 3.921 -27.196 278 HA LYS 38 HA LYS 38 -10.735 4.381 -25.198 279 HB2 LYS 38 HB2 LYS 38 -12.947 5.583 -26.857 280 HB3 LYS 38 HB1 LYS 38 -12.378 6.084 -25.264 281 HG2 LYS 38 HG2 LYS 38 -10.282 6.862 -26.185 282 HG3 LYS 38 HG1 LYS 38 -10.677 6.193 -27.769 283 HD2 LYS 38 HD2 LYS 38 -11.177 8.513 -27.938 284 HD3 LYS 38 HD1 LYS 38 -12.738 7.720 -27.726 285 HE2 LYS 38 HE2 LYS 38 -13.107 8.956 -25.884 286 HE3 LYS 38 HE1 LYS 38 -11.684 8.242 -25.128 287 HZ1 LYS 38 HZ1 LYS 38 -12.017 10.861 -26.005 288 HZ2 LYS 38 HZ2 LYS 38 -10.869 10.143 -27.032 289 HZ3 LYS 38 HZ3 LYS 38 -10.621 10.153 -25.352 290 H LYS 39 HN LYS 39 -11.245 1.807 -26.267 291 HA LYS 39 HA LYS 39 -13.979 1.337 -25.237 292 HB2 LYS 39 HB2 LYS 39 -13.137 0.844 -27.822 293 HB3 LYS 39 HB1 LYS 39 -12.946 -0.725 -27.039 294 HG2 LYS 39 HG2 LYS 39 -15.266 -0.617 -26.223 295 HG3 LYS 39 HG1 LYS 39 -15.465 0.965 -26.977 296 HD2 LYS 39 HD2 LYS 39 -14.578 -0.434 -29.111 297 HD3 LYS 39 HD1 LYS 39 -15.383 -1.730 -28.227 298 HE2 LYS 39 HE2 LYS 39 -17.441 -0.368 -28.102 299 HE3 LYS 39 HE1 LYS 39 -16.639 0.923 -28.998 300 HZ1 LYS 39 HZ1 LYS 39 -16.883 -1.836 -30.047 301 HZ2 LYS 39 HZ2 LYS 39 -16.465 -0.426 -30.897 302 HZ3 LYS 39 HZ3 LYS 39 -18.054 -0.644 -30.339 303 H VAL 40 HN VAL 40 -14.273 -0.851 -24.316 304 HA VAL 40 HA VAL 40 -11.770 -2.007 -23.268 305 HB VAL 40 HB VAL 40 -14.223 -1.577 -21.562 306 HG11 VAL 40 HG11 VAL 40 -11.594 -2.841 -21.252 307 HG12 VAL 40 HG12 VAL 40 -13.051 -3.022 -20.274 308 HG13 VAL 40 HG13 VAL 40 -11.953 -1.672 -19.983 309 HG21 VAL 40 HG21 VAL 40 -11.713 0.123 -21.714 310 HG22 VAL 40 HG22 VAL 40 -13.045 0.340 -20.578 311 HG23 VAL 40 HG23 VAL 40 -13.304 0.609 -22.302 312 H CYS 41 HN CYS 41 -11.697 -4.119 -23.690 313 HA CYS 41 HA CYS 41 -14.259 -5.591 -23.888 314 HB2 CYS 41 HB2 CYS 41 -13.271 -5.509 -26.076 315 HB3 CYS 41 HB1 CYS 41 -11.689 -5.956 -25.440 316 HG CYS 41 HG CYS 41 -13.870 -7.907 -26.174 317 H ILE 42 HN ILE 42 -14.496 -6.816 -22.134 318 HA ILE 42 HA ILE 42 -12.164 -8.274 -21.097 319 HB ILE 42 HB ILE 42 -12.994 -7.954 -18.881 320 HG12 ILE 42 HG12 ILE 42 -15.059 -6.146 -18.966 321 HG13 ILE 42 HG11 ILE 42 -15.442 -7.215 -20.316 322 HG21 ILE 42 HG21 ILE 42 -12.506 -5.683 -18.617 323 HG22 ILE 42 HG22 ILE 42 -13.338 -5.243 -20.109 324 HG23 ILE 42 HG23 ILE 42 -11.773 -6.053 -20.177 325 HD11 ILE 42 HD11 ILE 42 -15.186 -7.875 -17.394 326 HD12 ILE 42 HD12 ILE 42 -14.897 -9.127 -18.601 327 HD13 ILE 42 HD13 ILE 42 -16.463 -8.321 -18.524 328 H GLU 43 HN GLU 43 -12.471 -10.417 -20.663 329 HA GLU 43 HA GLU 43 -15.158 -11.479 -21.278 330 HB2 GLU 43 HB2 GLU 43 -13.618 -12.476 -22.767 331 HB3 GLU 43 HB1 GLU 43 -12.390 -12.653 -21.513 332 HG2 GLU 43 HG2 GLU 43 -13.326 -14.561 -20.676 333 HG3 GLU 43 HG1 GLU 43 -14.971 -14.010 -20.982 334 H SER 44 HN SER 44 -16.297 -11.895 -19.523 335 HA SER 44 HA SER 44 -14.906 -12.978 -17.146 336 HB2 SER 44 HB2 SER 44 -15.643 -10.990 -16.280 337 HB3 SER 44 HB1 SER 44 -16.962 -10.852 -17.438 338 HG SER 44 HG SER 44 -16.814 -12.269 -15.022 339 H GLU 45 HN GLU 45 -16.277 -14.315 -15.743 340 HA GLU 45 HA GLU 45 -17.670 -16.305 -17.273 341 HB2 GLU 45 HB2 GLU 45 -17.363 -15.980 -14.278 342 HB3 GLU 45 HB1 GLU 45 -17.910 -17.432 -15.113 343 HG2 GLU 45 HG2 GLU 45 -15.375 -16.392 -16.157 344 HG3 GLU 45 HG1 GLU 45 -15.284 -16.866 -14.461 345 H HIS 46 HN HIS 46 -18.542 -13.673 -15.110 346 HA HIS 46 HA HIS 46 -21.390 -14.376 -15.353 347 HB2 HIS 46 HB2 HIS 46 -20.259 -12.185 -13.626 348 HB3 HIS 46 HB1 HIS 46 -21.785 -13.051 -13.444 349 HD1 HIS 46 HD1 HIS 46 -21.518 -15.698 -12.851 350 HD2 HIS 46 HD2 HIS 46 -18.152 -13.320 -12.217 351 HE1 HIS 46 HE1 HIS 46 -19.983 -17.020 -11.333 352 H SER 47 HN SER 47 -19.328 -11.477 -15.466 353 HA SER 47 HA SER 47 -19.427 -9.585 -16.766 354 HB2 SER 47 HB2 SER 47 -21.302 -11.031 -18.621 355 HB3 SER 47 HB1 SER 47 -20.106 -9.798 -19.005 356 HG SER 47 HG SER 47 -19.557 -12.081 -19.468 357 H MET 48 HN MET 48 -20.875 -7.837 -17.417 358 HA MET 48 HA MET 48 -22.728 -6.496 -17.192 359 HB2 MET 48 HB2 MET 48 -23.956 -8.571 -18.017 360 HB3 MET 48 HB1 MET 48 -24.281 -8.936 -16.322 361 HG2 MET 48 HG2 MET 48 -25.811 -7.262 -16.118 362 HG3 MET 48 HG1 MET 48 -24.882 -6.154 -17.126 363 HE1 MET 48 HE1 MET 48 -27.861 -6.367 -16.998 364 HE2 MET 48 HE2 MET 48 -28.095 -8.111 -16.916 365 HE3 MET 48 HE3 MET 48 -28.711 -7.211 -18.299 366 H ASP 49 HN ASP 49 -20.856 -6.965 -15.070 367 HA ASP 49 HA ASP 49 -22.339 -5.792 -12.902 368 HB2 ASP 49 HB2 ASP 49 -21.376 -8.636 -12.732 369 HB3 ASP 49 HB1 ASP 49 -21.457 -7.630 -11.288 370 H THR 50 HN THR 50 -19.373 -7.353 -13.998 371 HA THR 50 HA THR 50 -17.676 -5.919 -12.156 372 HB THR 50 HB THR 50 -16.730 -7.956 -12.728 373 HG1 THR 50 HG1 THR 50 -15.493 -6.888 -14.891 374 HG21 THR 50 HG21 THR 50 -18.095 -8.861 -14.376 375 HG22 THR 50 HG22 THR 50 -16.629 -8.547 -15.304 376 HG23 THR 50 HG23 THR 50 -17.987 -7.425 -15.398 377 H LEU 51 HN LEU 51 -18.615 -5.637 -15.543 378 HA LEU 51 HA LEU 51 -16.744 -3.673 -16.312 379 HB2 LEU 51 HB2 LEU 51 -19.510 -3.908 -17.472 380 HB3 LEU 51 HB1 LEU 51 -18.009 -3.463 -18.280 381 HG LEU 51 HG LEU 51 -17.450 -5.976 -17.238 382 HD11 LEU 51 HD11 LEU 51 -19.392 -7.326 -18.189 383 HD12 LEU 51 HD12 LEU 51 -20.309 -5.819 -18.222 384 HD13 LEU 51 HD13 LEU 51 -19.735 -6.468 -16.687 385 HD21 LEU 51 HD21 LEU 51 -18.519 -5.314 -20.000 386 HD22 LEU 51 HD22 LEU 51 -17.479 -6.673 -19.578 387 HD23 LEU 51 HD23 LEU 51 -16.861 -5.025 -19.477 388 H LEU 52 HN LEU 52 -20.177 -3.299 -15.387 389 HA LEU 52 HA LEU 52 -20.195 -0.495 -15.571 390 HB2 LEU 52 HB2 LEU 52 -22.221 -0.813 -13.937 391 HB3 LEU 52 HB1 LEU 52 -22.322 -1.379 -15.600 392 HG LEU 52 HG LEU 52 -21.251 -3.243 -13.511 393 HD11 LEU 52 HD11 LEU 52 -24.157 -2.503 -13.916 394 HD12 LEU 52 HD12 LEU 52 -23.234 -2.445 -12.414 395 HD13 LEU 52 HD13 LEU 52 -23.641 -4.000 -13.139 396 HD21 LEU 52 HD21 LEU 52 -21.496 -4.735 -15.184 397 HD22 LEU 52 HD22 LEU 52 -21.930 -3.399 -16.248 398 HD23 LEU 52 HD23 LEU 52 -23.188 -4.290 -15.395 399 H ALA 53 HN ALA 53 -19.899 -2.556 -12.654 400 HA ALA 53 HA ALA 53 -19.766 -0.492 -10.786 401 HB1 ALA 53 HB1 ALA 53 -19.602 -3.247 -10.712 402 HB2 ALA 53 HB2 ALA 53 -19.461 -2.172 -9.322 403 HB3 ALA 53 HB3 ALA 53 -18.010 -2.738 -10.150 404 H THR 54 HN THR 54 -17.083 -2.120 -12.476 405 HA THR 54 HA THR 54 -15.060 -0.529 -11.255 406 HB THR 54 HB THR 54 -15.094 -2.309 -13.687 407 HG1 THR 54 HG1 THR 54 -14.696 -3.688 -12.179 408 HG21 THR 54 HG21 THR 54 -13.121 -0.289 -12.859 409 HG22 THR 54 HG22 THR 54 -13.286 -1.137 -14.397 410 HG23 THR 54 HG23 THR 54 -12.445 -1.906 -13.051 411 H LEU 55 HN LEU 55 -16.600 -0.392 -14.467 412 HA LEU 55 HA LEU 55 -15.116 1.792 -15.426 413 HB2 LEU 55 HB2 LEU 55 -17.874 0.788 -16.135 414 HB3 LEU 55 HB1 LEU 55 -17.029 2.049 -17.028 415 HG LEU 55 HG LEU 55 -15.834 -0.682 -16.515 416 HD11 LEU 55 HD11 LEU 55 -17.254 0.321 -19.000 417 HD12 LEU 55 HD12 LEU 55 -17.921 -0.851 -17.863 418 HD13 LEU 55 HD13 LEU 55 -16.485 -1.253 -18.804 419 HD21 LEU 55 HD21 LEU 55 -14.036 0.594 -17.151 420 HD22 LEU 55 HD22 LEU 55 -15.042 1.800 -17.951 421 HD23 LEU 55 HD23 LEU 55 -14.679 0.277 -18.762 422 H LYS 56 HN LYS 56 -18.107 1.659 -13.536 423 HA LYS 56 HA LYS 56 -18.678 4.452 -13.774 424 HB2 LYS 56 HB2 LYS 56 -20.569 3.228 -13.231 425 HB3 LYS 56 HB1 LYS 56 -19.705 2.196 -12.093 426 HG2 LYS 56 HG2 LYS 56 -19.904 5.127 -11.506 427 HG3 LYS 56 HG1 LYS 56 -21.310 4.104 -11.209 428 HD2 LYS 56 HD2 LYS 56 -18.785 2.950 -10.242 429 HD3 LYS 56 HD1 LYS 56 -19.230 4.458 -9.441 430 HE2 LYS 56 HE2 LYS 56 -21.263 3.584 -8.650 431 HE3 LYS 56 HE1 LYS 56 -21.273 2.283 -9.841 432 HZ1 LYS 56 HZ1 LYS 56 -19.768 2.499 -7.335 433 HZ2 LYS 56 HZ2 LYS 56 -19.077 1.633 -8.622 434 HZ3 LYS 56 HZ3 LYS 56 -20.584 1.166 -7.993 435 H LYS 57 HN LYS 57 -16.732 2.520 -11.600 436 HA LYS 57 HA LYS 57 -16.466 3.843 -9.304 437 HB2 LYS 57 HB2 LYS 57 -14.819 2.137 -10.686 438 HB3 LYS 57 HB1 LYS 57 -13.822 3.583 -10.534 439 HG2 LYS 57 HG2 LYS 57 -15.280 2.272 -8.223 440 HG3 LYS 57 HG1 LYS 57 -13.578 2.004 -8.600 441 HD2 LYS 57 HD2 LYS 57 -13.368 4.587 -8.511 442 HD3 LYS 57 HD1 LYS 57 -14.918 4.540 -7.670 443 HE2 LYS 57 HE2 LYS 57 -13.253 4.476 -5.957 444 HE3 LYS 57 HE1 LYS 57 -13.854 2.824 -6.101 445 HZ1 LYS 57 HZ1 LYS 57 -11.384 3.053 -6.029 446 HZ2 LYS 57 HZ2 LYS 57 -11.463 3.817 -7.544 447 HZ3 LYS 57 HZ3 LYS 57 -11.977 2.206 -7.373 448 H THR 58 HN THR 58 -14.984 5.037 -12.340 449 HA THR 58 HA THR 58 -14.151 7.483 -11.025 450 HB THR 58 HB THR 58 -13.988 7.643 -13.888 451 HG1 THR 58 HG1 THR 58 -12.620 5.770 -14.101 452 HG21 THR 58 HG21 THR 58 -11.956 7.255 -11.673 453 HG22 THR 58 HG22 THR 58 -12.482 8.790 -12.363 454 HG23 THR 58 HG23 THR 58 -11.544 7.661 -13.339 455 H GLY 59 HN GLY 59 -16.949 6.368 -12.675 456 HA2 GLY 59 HA2 GLY 59 -18.991 7.586 -12.650 457 HA3 GLY 59 HA1 GLY 59 -18.070 9.080 -12.539 458 H ALA 60 HN ALA 60 -16.907 6.840 -14.856 459 HA ALA 60 HA ALA 60 -17.502 8.648 -17.013 460 HB1 ALA 60 HB1 ALA 60 -16.345 6.995 -18.415 461 HB2 ALA 60 HB2 ALA 60 -16.337 5.853 -17.070 462 HB3 ALA 60 HB3 ALA 60 -15.411 7.351 -16.963 463 H THR 61 HN THR 61 -18.864 8.310 -18.779 464 HA THR 61 HA THR 61 -21.342 7.090 -18.275 465 HB THR 61 HB THR 61 -20.671 7.288 -21.117 466 HG1 THR 61 HG1 THR 61 -19.752 9.164 -21.090 467 HG21 THR 61 HG21 THR 61 -22.563 9.029 -19.557 468 HG22 THR 61 HG22 THR 61 -22.941 7.328 -19.831 469 HG23 THR 61 HG23 THR 61 -22.723 8.415 -21.202 470 H VAL 62 HN VAL 62 -22.171 5.096 -18.701 471 HA VAL 62 HA VAL 62 -20.359 3.142 -19.985 472 HB VAL 62 HB VAL 62 -22.121 2.772 -17.557 473 HG11 VAL 62 HG11 VAL 62 -20.583 0.769 -19.230 474 HG12 VAL 62 HG12 VAL 62 -22.321 0.793 -18.934 475 HG13 VAL 62 HG13 VAL 62 -21.207 0.425 -17.617 476 HG21 VAL 62 HG21 VAL 62 -19.631 3.773 -17.625 477 HG22 VAL 62 HG22 VAL 62 -19.225 2.059 -17.685 478 HG23 VAL 62 HG23 VAL 62 -20.165 2.695 -16.335 479 H SER 63 HN SER 63 -21.203 1.855 -21.504 480 HA SER 63 HA SER 63 -24.128 1.706 -21.806 481 HB2 SER 63 HB2 SER 63 -22.139 2.669 -23.839 482 HB3 SER 63 HB1 SER 63 -23.619 1.866 -24.356 483 HG SER 63 HG SER 63 -24.662 3.439 -22.852 484 H TYR 64 HN TYR 64 -24.622 -0.394 -21.729 485 HA TYR 64 HA TYR 64 -22.660 -2.429 -22.279 486 HB2 TYR 64 HB2 TYR 64 -24.087 -3.850 -21.218 487 HB3 TYR 64 HB1 TYR 64 -24.814 -2.350 -20.646 488 HD1 TYR 64 HD2 TYR 64 -24.971 -4.789 -23.488 489 HD2 TYR 64 HD1 TYR 64 -27.069 -1.892 -21.105 490 HE1 TYR 64 HE2 TYR 64 -27.091 -5.371 -24.641 491 HE2 TYR 64 HE1 TYR 64 -29.186 -2.474 -22.259 492 HH TYR 64 HH TYR 64 -30.180 -4.044 -23.588 493 H LEU 65 HN LEU 65 -22.308 -3.464 -24.121 494 HA LEU 65 HA LEU 65 -23.866 -2.765 -26.475 495 HB2 LEU 65 HB2 LEU 65 -21.324 -4.309 -25.999 496 HB3 LEU 65 HB1 LEU 65 -22.126 -4.331 -27.569 497 HG LEU 65 HG LEU 65 -20.313 -2.538 -27.216 498 HD11 LEU 65 HD11 LEU 65 -21.414 -1.097 -28.698 499 HD12 LEU 65 HD12 LEU 65 -22.975 -1.323 -27.911 500 HD13 LEU 65 HD13 LEU 65 -22.304 -2.604 -28.918 501 HD21 LEU 65 HD21 LEU 65 -21.205 -1.956 -24.904 502 HD22 LEU 65 HD22 LEU 65 -22.563 -1.174 -25.711 503 HD23 LEU 65 HD23 LEU 65 -20.924 -0.576 -25.965 504 H GLY 66 HN GLY 66 -23.104 -5.653 -24.561 505 HA2 GLY 66 HA2 GLY 66 -25.312 -7.041 -24.418 506 HA3 GLY 66 HA1 GLY 66 -25.014 -7.230 -26.143 507 H LEU 67 HN LEU 67 -25.000 -9.559 -25.415 508 HA LEU 67 HA LEU 67 -22.404 -10.351 -24.264 509 HB2 LEU 67 HB2 LEU 67 -24.554 -11.212 -23.247 510 HB3 LEU 67 HB1 LEU 67 -24.814 -12.108 -24.743 511 HG LEU 67 HG LEU 67 -22.279 -12.855 -24.251 512 HD11 LEU 67 HD11 LEU 67 -23.302 -12.952 -21.463 513 HD12 LEU 67 HD12 LEU 67 -22.706 -11.391 -22.023 514 HD13 LEU 67 HD13 LEU 67 -21.645 -12.799 -22.050 515 HD21 LEU 67 HD21 LEU 67 -24.894 -13.963 -23.241 516 HD22 LEU 67 HD22 LEU 67 -23.380 -14.811 -22.926 517 HD23 LEU 67 HD23 LEU 67 -23.904 -14.528 -24.587 518 H GLU 68 HN GLU 68 -21.103 -11.887 -25.297 519 HA GLU 68 HA GLU 68 -21.834 -12.820 -27.958 520 HB2 GLU 68 HB2 GLU 68 -20.601 -10.424 -27.895 521 HB3 GLU 68 HB1 GLU 68 -19.190 -11.482 -27.866 522 HG2 GLU 68 HG2 GLU 68 -19.550 -11.267 -30.158 523 HG3 GLU 68 HG1 GLU 68 -20.448 -12.742 -29.800 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -17.058 -20.203 -20.956 2 H2 MET 1 HT2 MET 1 -18.172 -19.151 -21.692 3 H3 MET 1 HT3 MET 1 -18.110 -19.278 -19.999 4 HA MET 1 HA MET 1 -16.653 -17.638 -19.907 5 HB2 MET 1 HB2 MET 1 -15.004 -19.306 -21.831 6 HB3 MET 1 HB1 MET 1 -14.402 -17.998 -20.812 7 HG2 MET 1 HG2 MET 1 -14.993 -19.242 -18.797 8 HG3 MET 1 HG1 MET 1 -15.720 -20.521 -19.769 9 HE1 MET 1 HE1 MET 1 -12.951 -19.420 -17.825 10 HE2 MET 1 HE2 MET 1 -11.806 -20.740 -18.046 11 HE3 MET 1 HE3 MET 1 -13.460 -21.092 -17.554 12 HA PRO 2 HA PRO 2 -18.002 -16.217 -24.197 13 HB2 PRO 2 HB2 PRO 2 -20.176 -14.745 -23.442 14 HB3 PRO 2 HB1 PRO 2 -20.266 -16.465 -23.864 15 HG2 PRO 2 HG2 PRO 2 -20.250 -15.170 -21.191 16 HG3 PRO 2 HG1 PRO 2 -21.139 -16.595 -21.754 17 HD2 PRO 2 HD2 PRO 2 -18.841 -16.722 -20.228 18 HD3 PRO 2 HD1 PRO 2 -19.390 -18.022 -21.307 19 H LYS 3 HN LYS 3 -17.545 -14.169 -25.036 20 HA LYS 3 HA LYS 3 -16.202 -12.342 -23.197 21 HB2 LYS 3 HB2 LYS 3 -16.423 -12.373 -26.216 22 HB3 LYS 3 HB1 LYS 3 -15.497 -11.189 -25.293 23 HG2 LYS 3 HG2 LYS 3 -13.823 -12.663 -24.843 24 HG3 LYS 3 HG1 LYS 3 -14.945 -13.999 -24.580 25 HD2 LYS 3 HD2 LYS 3 -13.695 -14.543 -26.554 26 HD3 LYS 3 HD1 LYS 3 -15.297 -14.045 -27.100 27 HE2 LYS 3 HE2 LYS 3 -14.490 -11.840 -27.672 28 HE3 LYS 3 HE1 LYS 3 -12.920 -12.173 -26.939 29 HZ1 LYS 3 HZ1 LYS 3 -12.522 -12.569 -29.153 30 HZ2 LYS 3 HZ2 LYS 3 -14.064 -13.223 -29.439 31 HZ3 LYS 3 HZ3 LYS 3 -12.895 -14.130 -28.604 32 H HIS 4 HN HIS 4 -16.824 -10.240 -22.789 33 HA HIS 4 HA HIS 4 -19.526 -9.509 -23.750 34 HB2 HIS 4 HB2 HIS 4 -18.130 -8.595 -21.225 35 HB3 HIS 4 HB1 HIS 4 -19.790 -8.234 -21.699 36 HD1 HIS 4 HD1 HIS 4 -20.780 -10.960 -22.612 37 HD2 HIS 4 HD2 HIS 4 -18.466 -10.435 -19.183 38 HE1 HIS 4 HE1 HIS 4 -21.219 -12.973 -21.137 39 H GLU 5 HN GLU 5 -19.828 -7.587 -24.747 40 HA GLU 5 HA GLU 5 -17.436 -5.894 -25.126 41 HB2 GLU 5 HB2 GLU 5 -19.893 -6.266 -26.854 42 HB3 GLU 5 HB1 GLU 5 -18.625 -5.082 -27.170 43 HG2 GLU 5 HG2 GLU 5 -16.966 -6.828 -27.406 44 HG3 GLU 5 HG1 GLU 5 -18.122 -8.056 -26.893 45 H PHE 6 HN PHE 6 -17.459 -3.870 -24.354 46 HA PHE 6 HA PHE 6 -20.038 -2.573 -23.803 47 HB2 PHE 6 HB2 PHE 6 -18.024 -3.425 -21.806 48 HB3 PHE 6 HB1 PHE 6 -18.653 -1.788 -21.615 49 HD1 PHE 6 HD1 PHE 6 -19.661 -5.356 -21.987 50 HD2 PHE 6 HD2 PHE 6 -20.848 -1.402 -20.802 51 HE1 PHE 6 HE1 PHE 6 -21.752 -6.274 -21.018 52 HE2 PHE 6 HE2 PHE 6 -22.938 -2.319 -19.832 53 HZ PHE 6 HZ PHE 6 -23.389 -4.755 -19.939 54 H SER 7 HN SER 7 -20.030 -0.391 -24.104 55 HA SER 7 HA SER 7 -17.496 0.778 -25.063 56 HB2 SER 7 HB2 SER 7 -19.710 2.463 -25.649 57 HB3 SER 7 HB1 SER 7 -18.715 1.544 -26.774 58 HG SER 7 HG SER 7 -20.266 0.138 -26.946 59 H VAL 8 HN VAL 8 -16.486 1.927 -23.542 60 HA VAL 8 HA VAL 8 -18.109 3.750 -21.876 61 HB VAL 8 HB VAL 8 -17.401 1.861 -20.496 62 HG11 VAL 8 HG11 VAL 8 -15.099 1.961 -22.109 63 HG12 VAL 8 HG12 VAL 8 -15.383 0.883 -20.743 64 HG13 VAL 8 HG13 VAL 8 -14.550 2.417 -20.496 65 HG21 VAL 8 HG21 VAL 8 -15.487 3.629 -19.321 66 HG22 VAL 8 HG22 VAL 8 -17.171 3.392 -18.857 67 HG23 VAL 8 HG23 VAL 8 -16.751 4.619 -20.052 68 H ASP 9 HN ASP 9 -17.562 5.790 -22.204 69 HA ASP 9 HA ASP 9 -15.146 6.484 -23.628 70 HB2 ASP 9 HB2 ASP 9 -17.660 7.673 -23.222 71 HB3 ASP 9 HB1 ASP 9 -16.502 8.743 -22.433 72 H MET 10 HN MET 10 -13.233 6.618 -22.637 73 HA MET 10 HA MET 10 -12.987 6.816 -19.793 74 HB2 MET 10 HB2 MET 10 -10.659 7.443 -21.536 75 HB3 MET 10 HB1 MET 10 -10.761 6.390 -20.124 76 HG2 MET 10 HG2 MET 10 -12.313 4.944 -21.695 77 HG3 MET 10 HG1 MET 10 -11.461 5.800 -22.980 78 HE1 MET 10 HE1 MET 10 -10.010 2.792 -19.941 79 HE2 MET 10 HE2 MET 10 -11.238 2.419 -21.148 80 HE3 MET 10 HE3 MET 10 -11.508 3.732 -20.006 81 H THR 11 HN THR 11 -13.272 8.608 -18.667 82 HA THR 11 HA THR 11 -12.623 11.207 -19.916 83 HB THR 11 HB THR 11 -14.238 11.078 -17.419 84 HG1 THR 11 HG1 THR 11 -15.857 10.096 -18.319 85 HG21 THR 11 HG21 THR 11 -13.520 13.133 -18.860 86 HG22 THR 11 HG22 THR 11 -15.179 13.047 -18.269 87 HG23 THR 11 HG23 THR 11 -14.815 12.614 -19.939 88 H CYS 12 HN CYS 12 -12.104 9.095 -17.190 89 HA CYS 12 HA CYS 12 -10.326 11.070 -15.924 90 HB2 CYS 12 HB2 CYS 12 -11.860 8.709 -14.958 91 HB3 CYS 12 HB1 CYS 12 -10.338 9.087 -14.150 92 HG CYS 12 HG CYS 12 -12.770 11.042 -14.296 93 H GLY 13 HN GLY 13 -9.696 9.529 -18.387 94 HA2 GLY 13 HA2 GLY 13 -8.193 7.449 -18.590 95 HA3 GLY 13 HA1 GLY 13 -7.451 8.979 -19.041 96 H GLY 14 HN GLY 14 -6.979 10.196 -16.672 97 HA2 GLY 14 HA2 GLY 14 -4.647 8.903 -15.720 98 HA3 GLY 14 HA1 GLY 14 -5.416 10.309 -14.987 99 H CYS 15 HN CYS 15 -7.774 9.518 -14.109 100 HA CYS 15 HA CYS 15 -7.117 7.683 -11.957 101 HB2 CYS 15 HB2 CYS 15 -8.991 9.831 -12.388 102 HB3 CYS 15 HB1 CYS 15 -9.840 8.395 -11.814 103 HG CYS 15 HG CYS 15 -7.984 8.343 -9.829 104 H ALA 16 HN ALA 16 -9.390 7.827 -14.694 105 HA ALA 16 HA ALA 16 -10.841 5.497 -14.175 106 HB1 ALA 16 HB1 ALA 16 -10.118 6.971 -16.684 107 HB2 ALA 16 HB2 ALA 16 -11.698 6.748 -15.933 108 HB3 ALA 16 HB3 ALA 16 -10.934 5.413 -16.793 109 H GLU 17 HN GLU 17 -7.663 5.918 -15.655 110 HA GLU 17 HA GLU 17 -7.364 3.248 -16.581 111 HB2 GLU 17 HB2 GLU 17 -5.921 4.953 -17.471 112 HB3 GLU 17 HB1 GLU 17 -5.329 5.366 -15.861 113 HG2 GLU 17 HG2 GLU 17 -3.992 3.494 -15.716 114 HG3 GLU 17 HG1 GLU 17 -5.050 2.529 -16.744 115 H ALA 18 HN ALA 18 -6.367 4.887 -13.586 116 HA ALA 18 HA ALA 18 -5.114 2.601 -12.431 117 HB1 ALA 18 HB1 ALA 18 -5.637 5.338 -11.694 118 HB2 ALA 18 HB2 ALA 18 -4.435 4.225 -11.040 119 HB3 ALA 18 HB3 ALA 18 -6.061 4.268 -10.357 120 H VAL 19 HN VAL 19 -8.364 3.899 -12.439 121 HA VAL 19 HA VAL 19 -9.485 2.307 -10.395 122 HB VAL 19 HB VAL 19 -10.510 3.922 -12.675 123 HG11 VAL 19 HG11 VAL 19 -11.846 1.924 -12.971 124 HG12 VAL 19 HG12 VAL 19 -12.842 3.130 -12.160 125 HG13 VAL 19 HG13 VAL 19 -12.134 1.805 -11.235 126 HG21 VAL 19 HG21 VAL 19 -11.169 3.692 -9.723 127 HG22 VAL 19 HG22 VAL 19 -11.885 4.868 -10.824 128 HG23 VAL 19 HG23 VAL 19 -10.159 4.928 -10.473 129 H SER 20 HN SER 20 -8.964 1.753 -13.839 130 HA SER 20 HA SER 20 -10.525 -0.532 -14.198 131 HB2 SER 20 HB2 SER 20 -8.986 0.913 -15.838 132 HB3 SER 20 HB1 SER 20 -7.876 -0.423 -15.548 133 HG SER 20 HG SER 20 -9.349 -1.826 -16.366 134 H ARG 21 HN ARG 21 -7.320 -0.171 -12.770 135 HA ARG 21 HA ARG 21 -6.523 -2.857 -12.746 136 HB2 ARG 21 HB2 ARG 21 -6.008 -0.713 -10.668 137 HB3 ARG 21 HB1 ARG 21 -5.122 -2.231 -10.809 138 HG2 ARG 21 HG2 ARG 21 -4.709 -1.488 -13.273 139 HG3 ARG 21 HG1 ARG 21 -5.140 0.119 -12.688 140 HD2 ARG 21 HD2 ARG 21 -2.728 -1.505 -12.142 141 HD3 ARG 21 HD1 ARG 21 -2.921 0.245 -12.186 142 HE ARG 21 HE ARG 21 -4.189 -0.273 -9.922 143 HH11 ARG 21 HH21 ARG 21 -1.300 -1.673 -11.214 144 HH12 ARG 21 HH22 ARG 21 -0.601 -2.002 -9.664 145 HH21 ARG 21 HH11 ARG 21 -3.278 -0.704 -7.884 146 HH22 ARG 21 HH12 ARG 21 -1.721 -1.455 -7.780 147 H VAL 22 HN VAL 22 -8.562 -1.023 -10.519 148 HA VAL 22 HA VAL 22 -8.917 -2.994 -8.551 149 HB VAL 22 HB VAL 22 -9.823 -0.391 -8.996 150 HG11 VAL 22 HG11 VAL 22 -12.207 -2.224 -8.626 151 HG12 VAL 22 HG12 VAL 22 -11.817 -1.413 -10.141 152 HG13 VAL 22 HG13 VAL 22 -12.225 -0.463 -8.713 153 HG21 VAL 22 HG21 VAL 22 -10.537 -0.526 -6.693 154 HG22 VAL 22 HG22 VAL 22 -9.107 -1.544 -6.867 155 HG23 VAL 22 HG23 VAL 22 -10.708 -2.279 -6.797 156 H LEU 23 HN LEU 23 -10.053 -2.814 -11.765 157 HA LEU 23 HA LEU 23 -12.497 -4.167 -11.647 158 HB2 LEU 23 HB2 LEU 23 -11.586 -3.079 -13.687 159 HB3 LEU 23 HB1 LEU 23 -10.396 -4.373 -13.815 160 HG LEU 23 HG LEU 23 -12.549 -5.918 -13.668 161 HD11 LEU 23 HD11 LEU 23 -14.449 -4.844 -14.864 162 HD12 LEU 23 HD12 LEU 23 -13.600 -3.300 -14.786 163 HD13 LEU 23 HD13 LEU 23 -14.136 -4.090 -13.302 164 HD21 LEU 23 HD21 LEU 23 -11.171 -6.085 -15.576 165 HD22 LEU 23 HD22 LEU 23 -11.446 -4.403 -16.032 166 HD23 LEU 23 HD23 LEU 23 -12.728 -5.595 -16.243 167 H ASN 24 HN ASN 24 -9.199 -5.403 -11.532 168 HA ASN 24 HA ASN 24 -9.650 -8.090 -12.079 169 HB2 ASN 24 HB2 ASN 24 -7.808 -7.282 -9.851 170 HB3 ASN 24 HB1 ASN 24 -7.581 -8.514 -11.091 171 HD21 ASN 24 HD21 ASN 24 -8.662 -6.402 -13.122 172 HD22 ASN 24 HD22 ASN 24 -7.302 -5.431 -13.425 173 H LYS 25 HN LYS 25 -10.340 -6.239 -9.178 174 HA LYS 25 HA LYS 25 -10.854 -8.450 -7.460 175 HB2 LYS 25 HB2 LYS 25 -11.882 -5.606 -7.336 176 HB3 LYS 25 HB1 LYS 25 -11.972 -6.784 -6.026 177 HG2 LYS 25 HG2 LYS 25 -9.318 -6.194 -7.301 178 HG3 LYS 25 HG1 LYS 25 -9.971 -5.081 -6.099 179 HD2 LYS 25 HD2 LYS 25 -9.935 -8.025 -5.512 180 HD3 LYS 25 HD1 LYS 25 -8.455 -7.086 -5.321 181 HE2 LYS 25 HE2 LYS 25 -9.242 -5.979 -3.493 182 HE3 LYS 25 HE1 LYS 25 -10.870 -5.841 -4.158 183 HZ1 LYS 25 HZ1 LYS 25 -10.411 -8.537 -3.689 184 HZ2 LYS 25 HZ2 LYS 25 -11.468 -7.504 -2.851 185 HZ3 LYS 25 HZ3 LYS 25 -9.873 -7.718 -2.304 186 H LEU 26 HN LEU 26 -12.966 -6.392 -9.454 187 HA LEU 26 HA LEU 26 -15.339 -7.852 -8.709 188 HB2 LEU 26 HB2 LEU 26 -14.819 -5.351 -9.793 189 HB3 LEU 26 HB1 LEU 26 -15.535 -6.245 -11.134 190 HG LEU 26 HG LEU 26 -17.331 -5.214 -9.894 191 HD11 LEU 26 HD11 LEU 26 -18.667 -7.075 -9.781 192 HD12 LEU 26 HD12 LEU 26 -17.526 -7.958 -8.766 193 HD13 LEU 26 HD13 LEU 26 -17.256 -7.846 -10.506 194 HD21 LEU 26 HD21 LEU 26 -15.726 -5.271 -7.747 195 HD22 LEU 26 HD22 LEU 26 -16.683 -6.709 -7.393 196 HD23 LEU 26 HD23 LEU 26 -17.479 -5.148 -7.592 197 H GLY 27 HN GLY 27 -13.174 -7.721 -11.504 198 HA2 GLY 27 HA2 GLY 27 -14.721 -9.854 -12.809 199 HA3 GLY 27 HA1 GLY 27 -13.504 -8.847 -13.584 200 H GLY 28 HN GLY 28 -11.247 -9.080 -12.449 201 HA2 GLY 28 HA2 GLY 28 -9.434 -10.423 -11.976 202 HA3 GLY 28 HA1 GLY 28 -10.561 -11.553 -11.228 203 H VAL 29 HN VAL 29 -11.233 -10.644 -14.457 204 HA VAL 29 HA VAL 29 -10.119 -13.195 -15.467 205 HB VAL 29 HB VAL 29 -12.465 -12.097 -16.853 206 HG11 VAL 29 HG11 VAL 29 -12.157 -14.849 -15.688 207 HG12 VAL 29 HG12 VAL 29 -11.176 -14.375 -17.075 208 HG13 VAL 29 HG13 VAL 29 -12.936 -14.362 -17.193 209 HG21 VAL 29 HG21 VAL 29 -14.021 -13.005 -15.109 210 HG22 VAL 29 HG22 VAL 29 -13.142 -11.573 -14.574 211 HG23 VAL 29 HG23 VAL 29 -12.643 -13.173 -14.024 212 H LYS 30 HN LYS 30 -10.569 -12.968 -18.066 213 HA LYS 30 HA LYS 30 -8.480 -11.381 -19.017 214 HB2 LYS 30 HB2 LYS 30 -10.127 -13.309 -20.091 215 HB3 LYS 30 HB1 LYS 30 -10.598 -11.863 -20.986 216 HG2 LYS 30 HG2 LYS 30 -8.200 -11.426 -21.489 217 HG3 LYS 30 HG1 LYS 30 -7.777 -12.927 -20.665 218 HD2 LYS 30 HD2 LYS 30 -9.878 -13.458 -22.556 219 HD3 LYS 30 HD1 LYS 30 -8.567 -12.605 -23.372 220 HE2 LYS 30 HE2 LYS 30 -8.107 -15.000 -21.581 221 HE3 LYS 30 HE1 LYS 30 -8.337 -15.133 -23.324 222 HZ1 LYS 30 HZ1 LYS 30 -6.060 -14.167 -21.832 223 HZ2 LYS 30 HZ2 LYS 30 -6.489 -13.202 -23.162 224 HZ3 LYS 30 HZ3 LYS 30 -6.132 -14.847 -23.382 225 H TYR 31 HN TYR 31 -8.292 -9.300 -19.512 226 HA TYR 31 HA TYR 31 -10.648 -7.711 -20.201 227 HB2 TYR 31 HB2 TYR 31 -10.323 -6.071 -18.498 228 HB3 TYR 31 HB1 TYR 31 -10.337 -7.635 -17.681 229 HD1 TYR 31 HD1 TYR 31 -8.119 -4.963 -19.015 230 HD2 TYR 31 HD2 TYR 31 -8.414 -8.447 -16.520 231 HE1 TYR 31 HE1 TYR 31 -5.851 -4.514 -18.122 232 HE2 TYR 31 HE2 TYR 31 -6.144 -7.997 -15.626 233 HH TYR 31 HH TYR 31 -4.413 -5.037 -16.412 234 H ASP 32 HN ASP 32 -10.138 -5.730 -21.239 235 HA ASP 32 HA ASP 32 -7.407 -4.932 -21.676 236 HB2 ASP 32 HB2 ASP 32 -7.219 -6.609 -23.287 237 HB3 ASP 32 HB1 ASP 32 -8.906 -6.470 -23.773 238 H ILE 33 HN ILE 33 -7.480 -2.783 -21.800 239 HA ILE 33 HA ILE 33 -9.929 -1.505 -22.816 240 HB ILE 33 HB ILE 33 -9.519 0.266 -21.332 241 HG12 ILE 33 HG12 ILE 33 -6.727 -0.852 -21.238 242 HG13 ILE 33 HG11 ILE 33 -7.240 0.785 -21.651 243 HG21 ILE 33 HG21 ILE 33 -10.175 -1.978 -20.297 244 HG22 ILE 33 HG22 ILE 33 -9.496 -0.781 -19.194 245 HG23 ILE 33 HG23 ILE 33 -8.493 -2.108 -19.782 246 HD11 ILE 33 HD11 ILE 33 -6.834 -0.455 -18.983 247 HD12 ILE 33 HD12 ILE 33 -8.221 0.623 -19.135 248 HD13 ILE 33 HD13 ILE 33 -6.599 1.217 -19.496 249 H ASP 34 HN ASP 34 -9.795 -0.254 -24.584 250 HA ASP 34 HA ASP 34 -7.101 0.392 -25.617 251 HB2 ASP 34 HB2 ASP 34 -9.724 -0.125 -27.015 252 HB3 ASP 34 HB1 ASP 34 -8.362 0.647 -27.825 253 H LEU 35 HN LEU 35 -6.689 2.389 -24.802 254 HA LEU 35 HA LEU 35 -8.563 4.435 -24.358 255 HB2 LEU 35 HB2 LEU 35 -5.808 4.067 -23.987 256 HB3 LEU 35 HB1 LEU 35 -5.948 5.481 -25.030 257 HG LEU 35 HG LEU 35 -7.501 5.107 -22.453 258 HD11 LEU 35 HD11 LEU 35 -5.927 6.927 -21.637 259 HD12 LEU 35 HD12 LEU 35 -4.946 6.615 -23.069 260 HD13 LEU 35 HD13 LEU 35 -5.180 5.346 -21.866 261 HD21 LEU 35 HD21 LEU 35 -8.740 6.749 -23.416 262 HD22 LEU 35 HD22 LEU 35 -7.529 7.052 -24.661 263 HD23 LEU 35 HD23 LEU 35 -7.365 7.797 -23.071 264 HA PRO 36 HA PRO 36 -6.956 6.139 -28.679 265 HB2 PRO 36 HB2 PRO 36 -6.576 3.536 -30.052 266 HB3 PRO 36 HB1 PRO 36 -5.583 5.004 -30.117 267 HG2 PRO 36 HG2 PRO 36 -4.802 2.816 -28.789 268 HG3 PRO 36 HG1 PRO 36 -4.402 4.452 -28.240 269 HD2 PRO 36 HD2 PRO 36 -6.428 2.544 -27.150 270 HD3 PRO 36 HD1 PRO 36 -5.444 3.757 -26.299 271 H ASN 37 HN ASN 37 -8.866 3.208 -28.291 272 HA ASN 37 HA ASN 37 -10.709 4.139 -30.393 273 HB2 ASN 37 HB2 ASN 37 -9.652 1.651 -29.991 274 HB3 ASN 37 HB1 ASN 37 -11.207 1.512 -29.172 275 HD21 ASN 37 HD21 ASN 37 -12.258 3.690 -31.136 276 HD22 ASN 37 HD22 ASN 37 -12.578 2.813 -32.552 277 H LYS 38 HN LYS 38 -10.339 4.268 -27.090 278 HA LYS 38 HA LYS 38 -11.759 4.718 -25.337 279 HB2 LYS 38 HB2 LYS 38 -13.744 5.561 -27.450 280 HB3 LYS 38 HB1 LYS 38 -13.593 6.165 -25.800 281 HG2 LYS 38 HG2 LYS 38 -11.601 7.336 -26.283 282 HG3 LYS 38 HG1 LYS 38 -11.320 6.421 -27.765 283 HD2 LYS 38 HD2 LYS 38 -12.968 7.584 -28.953 284 HD3 LYS 38 HD1 LYS 38 -13.800 8.100 -27.485 285 HE2 LYS 38 HE2 LYS 38 -10.983 9.015 -28.003 286 HE3 LYS 38 HE1 LYS 38 -12.331 9.833 -28.794 287 HZ1 LYS 38 HZ1 LYS 38 -11.422 10.212 -26.209 288 HZ2 LYS 38 HZ2 LYS 38 -12.913 9.410 -26.060 289 HZ3 LYS 38 HZ3 LYS 38 -12.814 10.873 -26.917 290 H LYS 39 HN LYS 39 -11.766 2.057 -26.305 291 HA LYS 39 HA LYS 39 -14.497 1.262 -25.533 292 HB2 LYS 39 HB2 LYS 39 -12.889 0.130 -27.836 293 HB3 LYS 39 HB1 LYS 39 -14.360 -0.602 -27.194 294 HG2 LYS 39 HG2 LYS 39 -14.896 2.169 -27.633 295 HG3 LYS 39 HG1 LYS 39 -14.127 1.534 -29.088 296 HD2 LYS 39 HD2 LYS 39 -15.760 -0.358 -29.078 297 HD3 LYS 39 HD1 LYS 39 -16.570 0.392 -27.702 298 HE2 LYS 39 HE2 LYS 39 -16.284 2.439 -29.619 299 HE3 LYS 39 HE1 LYS 39 -16.818 1.018 -30.515 300 HZ1 LYS 39 HZ1 LYS 39 -18.179 2.497 -28.390 301 HZ2 LYS 39 HZ2 LYS 39 -18.438 0.820 -28.477 302 HZ3 LYS 39 HZ3 LYS 39 -18.811 1.810 -29.806 303 H VAL 40 HN VAL 40 -14.623 -0.818 -24.523 304 HA VAL 40 HA VAL 40 -12.037 -1.973 -23.706 305 HB VAL 40 HB VAL 40 -14.285 -1.117 -21.875 306 HG11 VAL 40 HG11 VAL 40 -13.663 -3.272 -21.086 307 HG12 VAL 40 HG12 VAL 40 -12.730 -2.143 -20.105 308 HG13 VAL 40 HG13 VAL 40 -11.958 -2.996 -21.440 309 HG21 VAL 40 HG21 VAL 40 -11.752 -0.372 -20.904 310 HG22 VAL 40 HG22 VAL 40 -12.951 0.690 -21.643 311 HG23 VAL 40 HG23 VAL 40 -11.693 -0.046 -22.636 312 H CYS 41 HN CYS 41 -12.017 -4.078 -24.089 313 HA CYS 41 HA CYS 41 -14.590 -5.523 -24.229 314 HB2 CYS 41 HB2 CYS 41 -13.241 -5.558 -26.301 315 HB3 CYS 41 HB1 CYS 41 -11.895 -6.261 -25.404 316 HG CYS 41 HG CYS 41 -14.521 -7.863 -25.234 317 H ILE 42 HN ILE 42 -15.035 -6.617 -22.422 318 HA ILE 42 HA ILE 42 -12.790 -7.926 -21.004 319 HB ILE 42 HB ILE 42 -13.778 -5.967 -19.788 320 HG12 ILE 42 HG12 ILE 42 -13.874 -8.782 -18.723 321 HG13 ILE 42 HG11 ILE 42 -12.702 -7.510 -18.378 322 HG21 ILE 42 HG21 ILE 42 -16.189 -7.720 -19.350 323 HG22 ILE 42 HG22 ILE 42 -16.136 -6.585 -20.699 324 HG23 ILE 42 HG23 ILE 42 -16.012 -5.992 -19.042 325 HD11 ILE 42 HD11 ILE 42 -14.595 -6.228 -17.268 326 HD12 ILE 42 HD12 ILE 42 -14.092 -7.698 -16.433 327 HD13 ILE 42 HD13 ILE 42 -15.562 -7.696 -17.408 328 H GLU 43 HN GLU 43 -13.008 -10.034 -20.506 329 HA GLU 43 HA GLU 43 -15.583 -11.324 -21.184 330 HB2 GLU 43 HB2 GLU 43 -14.008 -12.281 -22.632 331 HB3 GLU 43 HB1 GLU 43 -12.724 -12.227 -21.425 332 HG2 GLU 43 HG2 GLU 43 -13.764 -14.001 -20.146 333 HG3 GLU 43 HG1 GLU 43 -15.187 -13.974 -21.187 334 H SER 44 HN SER 44 -16.706 -11.853 -19.406 335 HA SER 44 HA SER 44 -15.236 -12.975 -17.116 336 HB2 SER 44 HB2 SER 44 -17.496 -11.233 -16.389 337 HB3 SER 44 HB1 SER 44 -15.917 -11.409 -15.631 338 HG SER 44 HG SER 44 -16.764 -9.523 -17.312 339 H GLU 45 HN GLU 45 -16.637 -14.111 -15.594 340 HA GLU 45 HA GLU 45 -18.599 -15.697 -17.002 341 HB2 GLU 45 HB2 GLU 45 -18.028 -15.914 -14.065 342 HB3 GLU 45 HB1 GLU 45 -18.415 -17.185 -15.224 343 HG2 GLU 45 HG2 GLU 45 -16.137 -16.304 -16.340 344 HG3 GLU 45 HG1 GLU 45 -15.803 -15.866 -14.666 345 H HIS 46 HN HIS 46 -18.654 -12.807 -15.323 346 HA HIS 46 HA HIS 46 -21.275 -13.166 -14.107 347 HB2 HIS 46 HB2 HIS 46 -19.089 -11.268 -13.884 348 HB3 HIS 46 HB1 HIS 46 -20.637 -10.444 -14.075 349 HD1 HIS 46 HD1 HIS 46 -18.589 -12.197 -11.607 350 HD2 HIS 46 HD2 HIS 46 -22.648 -11.382 -12.091 351 HE1 HIS 46 HE1 HIS 46 -19.675 -12.609 -9.357 352 H SER 47 HN SER 47 -20.062 -10.574 -16.210 353 HA SER 47 HA SER 47 -20.885 -9.884 -18.291 354 HB2 SER 47 HB2 SER 47 -23.451 -11.360 -17.952 355 HB3 SER 47 HB1 SER 47 -22.507 -11.062 -19.410 356 HG SER 47 HG SER 47 -22.148 -13.163 -18.933 357 H MET 48 HN MET 48 -21.233 -7.788 -17.846 358 HA MET 48 HA MET 48 -22.403 -5.860 -17.418 359 HB2 MET 48 HB2 MET 48 -24.224 -7.196 -18.632 360 HB3 MET 48 HB1 MET 48 -24.876 -7.539 -17.029 361 HG2 MET 48 HG2 MET 48 -24.276 -4.741 -17.174 362 HG3 MET 48 HG1 MET 48 -25.227 -5.180 -18.594 363 HE1 MET 48 HE1 MET 48 -28.024 -3.733 -16.573 364 HE2 MET 48 HE2 MET 48 -26.808 -3.539 -17.832 365 HE3 MET 48 HE3 MET 48 -26.395 -3.182 -16.157 366 H ASP 49 HN ASP 49 -20.987 -6.448 -15.381 367 HA ASP 49 HA ASP 49 -22.414 -5.496 -13.128 368 HB2 ASP 49 HB2 ASP 49 -22.350 -8.376 -13.474 369 HB3 ASP 49 HB1 ASP 49 -21.523 -7.896 -11.993 370 H THR 50 HN THR 50 -19.619 -7.164 -14.427 371 HA THR 50 HA THR 50 -17.859 -6.362 -12.286 372 HB THR 50 HB THR 50 -17.022 -8.286 -13.187 373 HG1 THR 50 HG1 THR 50 -15.883 -6.798 -15.235 374 HG21 THR 50 HG21 THR 50 -18.633 -8.742 -14.860 375 HG22 THR 50 HG22 THR 50 -17.107 -8.676 -15.738 376 HG23 THR 50 HG23 THR 50 -18.208 -7.298 -15.783 377 H LEU 51 HN LEU 51 -18.239 -5.427 -15.714 378 HA LEU 51 HA LEU 51 -16.177 -3.495 -15.685 379 HB2 LEU 51 HB2 LEU 51 -17.559 -2.610 -17.731 380 HB3 LEU 51 HB1 LEU 51 -16.706 -4.148 -17.825 381 HG LEU 51 HG LEU 51 -19.374 -4.451 -16.695 382 HD11 LEU 51 HD11 LEU 51 -19.016 -3.019 -19.306 383 HD12 LEU 51 HD12 LEU 51 -20.225 -2.756 -18.050 384 HD13 LEU 51 HD13 LEU 51 -20.354 -4.151 -19.119 385 HD21 LEU 51 HD21 LEU 51 -19.443 -6.314 -18.169 386 HD22 LEU 51 HD22 LEU 51 -17.749 -6.184 -17.694 387 HD23 LEU 51 HD23 LEU 51 -18.272 -5.585 -19.267 388 H LEU 52 HN LEU 52 -19.722 -3.033 -15.468 389 HA LEU 52 HA LEU 52 -19.729 -0.269 -15.369 390 HB2 LEU 52 HB2 LEU 52 -21.852 -0.656 -13.893 391 HB3 LEU 52 HB1 LEU 52 -21.852 -1.148 -15.581 392 HG LEU 52 HG LEU 52 -20.915 -3.099 -13.507 393 HD11 LEU 52 HD11 LEU 52 -22.879 -2.852 -12.395 394 HD12 LEU 52 HD12 LEU 52 -23.566 -3.731 -13.762 395 HD13 LEU 52 HD13 LEU 52 -23.629 -1.969 -13.726 396 HD21 LEU 52 HD21 LEU 52 -21.500 -3.131 -16.298 397 HD22 LEU 52 HD22 LEU 52 -22.705 -4.137 -15.499 398 HD23 LEU 52 HD23 LEU 52 -20.991 -4.471 -15.279 399 H ALA 53 HN ALA 53 -19.541 -2.500 -12.567 400 HA ALA 53 HA ALA 53 -19.575 -0.548 -10.575 401 HB1 ALA 53 HB1 ALA 53 -18.141 -3.211 -10.641 402 HB2 ALA 53 HB2 ALA 53 -19.758 -2.891 -10.011 403 HB3 ALA 53 HB3 ALA 53 -18.344 -2.227 -9.191 404 H THR 54 HN THR 54 -16.762 -1.960 -12.249 405 HA THR 54 HA THR 54 -14.857 -0.308 -10.906 406 HB THR 54 HB THR 54 -14.684 -1.934 -13.450 407 HG1 THR 54 HG1 THR 54 -13.430 -2.409 -10.978 408 HG21 THR 54 HG21 THR 54 -12.913 0.090 -12.425 409 HG22 THR 54 HG22 THR 54 -12.725 -0.912 -13.863 410 HG23 THR 54 HG23 THR 54 -12.134 -1.484 -12.305 411 H LEU 55 HN LEU 55 -16.305 -0.201 -14.153 412 HA LEU 55 HA LEU 55 -14.959 2.063 -15.088 413 HB2 LEU 55 HB2 LEU 55 -17.663 0.905 -15.770 414 HB3 LEU 55 HB1 LEU 55 -16.931 2.242 -16.656 415 HG LEU 55 HG LEU 55 -15.627 -0.463 -16.237 416 HD11 LEU 55 HD11 LEU 55 -17.701 -0.315 -17.778 417 HD12 LEU 55 HD12 LEU 55 -16.232 -1.022 -18.454 418 HD13 LEU 55 HD13 LEU 55 -16.670 0.641 -18.841 419 HD21 LEU 55 HD21 LEU 55 -14.342 0.694 -18.318 420 HD22 LEU 55 HD22 LEU 55 -13.808 0.869 -16.646 421 HD23 LEU 55 HD23 LEU 55 -14.778 2.136 -17.399 422 H LYS 56 HN LYS 56 -18.083 1.817 -13.387 423 HA LYS 56 HA LYS 56 -18.741 4.556 -13.508 424 HB2 LYS 56 HB2 LYS 56 -20.132 2.454 -12.733 425 HB3 LYS 56 HB1 LYS 56 -19.522 2.904 -11.141 426 HG2 LYS 56 HG2 LYS 56 -21.595 4.067 -11.403 427 HG3 LYS 56 HG1 LYS 56 -20.329 5.271 -11.648 428 HD2 LYS 56 HD2 LYS 56 -21.195 5.720 -13.676 429 HD3 LYS 56 HD1 LYS 56 -20.797 4.074 -14.175 430 HE2 LYS 56 HE2 LYS 56 -23.254 4.748 -14.397 431 HE3 LYS 56 HE1 LYS 56 -22.938 3.252 -13.517 432 HZ1 LYS 56 HZ1 LYS 56 -24.203 5.598 -12.604 433 HZ2 LYS 56 HZ2 LYS 56 -22.803 5.332 -11.678 434 HZ3 LYS 56 HZ3 LYS 56 -23.991 4.123 -11.793 435 H LYS 57 HN LYS 57 -16.733 2.719 -11.278 436 HA LYS 57 HA LYS 57 -16.463 4.195 -9.067 437 HB2 LYS 57 HB2 LYS 57 -14.887 2.318 -10.250 438 HB3 LYS 57 HB1 LYS 57 -13.834 3.731 -10.302 439 HG2 LYS 57 HG2 LYS 57 -15.274 2.770 -7.817 440 HG3 LYS 57 HG1 LYS 57 -13.590 2.408 -8.191 441 HD2 LYS 57 HD2 LYS 57 -13.326 4.984 -8.437 442 HD3 LYS 57 HD1 LYS 57 -14.842 5.068 -7.539 443 HE2 LYS 57 HE2 LYS 57 -13.649 3.410 -5.896 444 HE3 LYS 57 HE1 LYS 57 -12.172 4.013 -6.646 445 HZ1 LYS 57 HZ1 LYS 57 -14.261 5.810 -5.558 446 HZ2 LYS 57 HZ2 LYS 57 -12.664 6.202 -5.988 447 HZ3 LYS 57 HZ3 LYS 57 -12.968 5.243 -4.618 448 H THR 58 HN THR 58 -14.900 5.104 -12.159 449 HA THR 58 HA THR 58 -14.045 7.638 -11.025 450 HB THR 58 HB THR 58 -13.754 7.610 -13.862 451 HG1 THR 58 HG1 THR 58 -13.383 5.607 -14.279 452 HG21 THR 58 HG21 THR 58 -11.312 7.386 -13.173 453 HG22 THR 58 HG22 THR 58 -11.885 7.259 -11.511 454 HG23 THR 58 HG23 THR 58 -12.190 8.727 -12.438 455 H GLY 59 HN GLY 59 -16.800 6.419 -12.648 456 HA2 GLY 59 HA2 GLY 59 -18.824 7.677 -12.773 457 HA3 GLY 59 HA1 GLY 59 -17.868 9.153 -12.850 458 H ALA 60 HN ALA 60 -16.719 6.601 -14.813 459 HA ALA 60 HA ALA 60 -17.240 8.097 -17.213 460 HB1 ALA 60 HB1 ALA 60 -15.772 5.623 -16.483 461 HB2 ALA 60 HB2 ALA 60 -15.270 6.976 -17.497 462 HB3 ALA 60 HB3 ALA 60 -16.346 5.738 -18.147 463 H THR 61 HN THR 61 -18.696 7.693 -18.821 464 HA THR 61 HA THR 61 -21.101 6.344 -18.163 465 HB THR 61 HB THR 61 -21.068 8.212 -19.740 466 HG1 THR 61 HG1 THR 61 -22.030 6.852 -21.587 467 HG21 THR 61 HG21 THR 61 -18.860 6.801 -20.826 468 HG22 THR 61 HG22 THR 61 -19.516 8.350 -21.358 469 HG23 THR 61 HG23 THR 61 -20.101 6.851 -22.079 470 H VAL 62 HN VAL 62 -21.856 4.342 -18.688 471 HA VAL 62 HA VAL 62 -20.040 2.573 -20.204 472 HB VAL 62 HB VAL 62 -21.576 1.861 -17.694 473 HG11 VAL 62 HG11 VAL 62 -19.958 0.286 -19.684 474 HG12 VAL 62 HG12 VAL 62 -21.516 -0.112 -18.960 475 HG13 VAL 62 HG13 VAL 62 -20.040 -0.233 -18.000 476 HG21 VAL 62 HG21 VAL 62 -18.582 1.826 -18.058 477 HG22 VAL 62 HG22 VAL 62 -19.510 1.871 -16.559 478 HG23 VAL 62 HG23 VAL 62 -19.409 3.307 -17.577 479 H SER 63 HN SER 63 -20.983 1.347 -21.729 480 HA SER 63 HA SER 63 -23.910 1.019 -21.694 481 HB2 SER 63 HB2 SER 63 -22.388 2.644 -23.544 482 HB3 SER 63 HB1 SER 63 -23.220 1.343 -24.392 483 HG SER 63 HG SER 63 -24.232 3.586 -23.401 484 H TYR 64 HN TYR 64 -24.547 -0.996 -22.232 485 HA TYR 64 HA TYR 64 -22.497 -2.955 -22.883 486 HB2 TYR 64 HB2 TYR 64 -24.022 -4.584 -22.225 487 HB3 TYR 64 HB1 TYR 64 -24.494 -3.219 -21.209 488 HD1 TYR 64 HD1 TYR 64 -26.418 -1.748 -21.938 489 HD2 TYR 64 HD2 TYR 64 -25.489 -5.474 -23.866 490 HE1 TYR 64 HE1 TYR 64 -28.682 -1.788 -22.950 491 HE2 TYR 64 HE2 TYR 64 -27.755 -5.515 -24.877 492 HH TYR 64 HH TYR 64 -29.701 -2.915 -25.127 493 H LEU 65 HN LEU 65 -22.221 -3.929 -24.800 494 HA LEU 65 HA LEU 65 -23.855 -2.975 -27.047 495 HB2 LEU 65 HB2 LEU 65 -21.258 -4.528 -27.103 496 HB3 LEU 65 HB1 LEU 65 -22.041 -3.726 -28.465 497 HG LEU 65 HG LEU 65 -21.198 -2.230 -25.976 498 HD11 LEU 65 HD11 LEU 65 -19.399 -1.535 -27.942 499 HD12 LEU 65 HD12 LEU 65 -19.585 -3.267 -28.208 500 HD13 LEU 65 HD13 LEU 65 -19.069 -2.670 -26.631 501 HD21 LEU 65 HD21 LEU 65 -22.342 -0.593 -27.033 502 HD22 LEU 65 HD22 LEU 65 -22.554 -1.591 -28.471 503 HD23 LEU 65 HD23 LEU 65 -21.092 -0.624 -28.276 504 H GLY 66 HN GLY 66 -22.859 -5.913 -25.379 505 HA2 GLY 66 HA2 GLY 66 -24.967 -7.504 -25.629 506 HA3 GLY 66 HA1 GLY 66 -24.323 -7.603 -27.265 507 H LEU 67 HN LEU 67 -24.361 -9.953 -26.218 508 HA LEU 67 HA LEU 67 -21.709 -10.437 -24.999 509 HB2 LEU 67 HB2 LEU 67 -24.295 -11.989 -24.827 510 HB3 LEU 67 HB1 LEU 67 -22.743 -12.648 -24.306 511 HG LEU 67 HG LEU 67 -22.473 -10.632 -22.819 512 HD11 LEU 67 HD11 LEU 67 -24.973 -9.698 -22.371 513 HD12 LEU 67 HD12 LEU 67 -25.087 -10.030 -24.099 514 HD13 LEU 67 HD13 LEU 67 -23.851 -8.928 -23.492 515 HD21 LEU 67 HD21 LEU 67 -23.420 -12.886 -22.088 516 HD22 LEU 67 HD22 LEU 67 -25.022 -12.167 -22.249 517 HD23 LEU 67 HD23 LEU 67 -23.874 -11.512 -21.080 518 H GLU 68 HN GLU 68 -20.302 -11.803 -25.981 519 HA GLU 68 HA GLU 68 -20.580 -12.331 -28.743 520 HB2 GLU 68 HB2 GLU 68 -18.447 -12.162 -27.217 521 HB3 GLU 68 HB1 GLU 68 -18.686 -13.901 -27.033 522 HG2 GLU 68 HG2 GLU 68 -17.349 -13.865 -28.927 523 HG3 GLU 68 HG1 GLU 68 -18.949 -13.822 -29.663 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -15.470 -18.480 -20.377 2 H2 MET 1 HT2 MET 1 -17.138 -18.711 -20.599 3 H3 MET 1 HT3 MET 1 -16.446 -17.184 -20.871 4 HA MET 1 HA MET 1 -15.009 -18.784 -22.513 5 HB2 MET 1 HB2 MET 1 -17.396 -20.166 -21.847 6 HB3 MET 1 HB1 MET 1 -17.594 -19.569 -23.494 7 HG2 MET 1 HG2 MET 1 -15.345 -20.526 -24.053 8 HG3 MET 1 HG1 MET 1 -15.293 -21.238 -22.440 9 HE1 MET 1 HE1 MET 1 -15.151 -23.798 -23.185 10 HE2 MET 1 HE2 MET 1 -14.760 -22.929 -24.666 11 HE3 MET 1 HE3 MET 1 -15.884 -24.284 -24.722 12 HA PRO 2 HA PRO 2 -17.965 -15.942 -24.974 13 HB2 PRO 2 HB2 PRO 2 -20.001 -14.700 -23.650 14 HB3 PRO 2 HB1 PRO 2 -20.165 -16.296 -24.403 15 HG2 PRO 2 HG2 PRO 2 -19.822 -15.575 -21.550 16 HG3 PRO 2 HG1 PRO 2 -20.740 -16.901 -22.283 17 HD2 PRO 2 HD2 PRO 2 -18.244 -17.173 -21.096 18 HD3 PRO 2 HD1 PRO 2 -18.935 -18.316 -22.268 19 H LYS 3 HN LYS 3 -17.613 -13.761 -25.418 20 HA LYS 3 HA LYS 3 -16.094 -12.310 -23.369 21 HB2 LYS 3 HB2 LYS 3 -15.737 -10.774 -25.495 22 HB3 LYS 3 HB1 LYS 3 -14.823 -12.270 -25.295 23 HG2 LYS 3 HG2 LYS 3 -16.319 -13.471 -26.750 24 HG3 LYS 3 HG1 LYS 3 -17.451 -12.117 -26.793 25 HD2 LYS 3 HD2 LYS 3 -16.186 -10.931 -28.290 26 HD3 LYS 3 HD1 LYS 3 -14.662 -11.524 -27.629 27 HE2 LYS 3 HE2 LYS 3 -16.529 -13.348 -29.146 28 HE3 LYS 3 HE1 LYS 3 -15.332 -12.357 -29.979 29 HZ1 LYS 3 HZ1 LYS 3 -13.638 -13.350 -28.483 30 HZ2 LYS 3 HZ2 LYS 3 -14.364 -14.465 -29.541 31 HZ3 LYS 3 HZ3 LYS 3 -14.825 -14.415 -27.906 32 H HIS 4 HN HIS 4 -16.547 -10.156 -22.816 33 HA HIS 4 HA HIS 4 -19.322 -9.316 -23.404 34 HB2 HIS 4 HB2 HIS 4 -18.288 -9.833 -20.956 35 HB3 HIS 4 HB1 HIS 4 -17.903 -8.119 -21.101 36 HD1 HIS 4 HD1 HIS 4 -19.740 -6.587 -20.426 37 HD2 HIS 4 HD2 HIS 4 -21.217 -10.282 -21.669 38 HE1 HIS 4 HE1 HIS 4 -22.250 -6.499 -20.107 39 H GLU 5 HN GLU 5 -19.579 -7.498 -24.538 40 HA GLU 5 HA GLU 5 -17.228 -5.772 -24.961 41 HB2 GLU 5 HB2 GLU 5 -19.831 -5.955 -26.497 42 HB3 GLU 5 HB1 GLU 5 -18.468 -4.915 -26.909 43 HG2 GLU 5 HG2 GLU 5 -17.241 -6.637 -27.750 44 HG3 GLU 5 HG1 GLU 5 -17.779 -7.758 -26.501 45 H PHE 6 HN PHE 6 -17.149 -3.780 -24.133 46 HA PHE 6 HA PHE 6 -19.642 -2.427 -23.381 47 HB2 PHE 6 HB2 PHE 6 -18.016 -3.739 -21.497 48 HB3 PHE 6 HB1 PHE 6 -17.638 -2.024 -21.330 49 HD1 PHE 6 HD2 PHE 6 -19.743 -0.407 -21.365 50 HD2 PHE 6 HD1 PHE 6 -19.876 -4.587 -20.383 51 HE1 PHE 6 HE2 PHE 6 -21.881 -0.056 -20.159 52 HE2 PHE 6 HE1 PHE 6 -22.014 -4.236 -19.177 53 HZ PHE 6 HZ PHE 6 -23.017 -1.971 -19.065 54 H SER 7 HN SER 7 -19.568 -0.245 -23.610 55 HA SER 7 HA SER 7 -16.993 0.905 -24.505 56 HB2 SER 7 HB2 SER 7 -19.590 2.220 -25.156 57 HB3 SER 7 HB1 SER 7 -18.094 2.165 -26.084 58 HG SER 7 HG SER 7 -19.920 0.835 -26.849 59 H VAL 8 HN VAL 8 -16.117 2.342 -23.173 60 HA VAL 8 HA VAL 8 -17.900 3.937 -21.440 61 HB VAL 8 HB VAL 8 -17.056 2.561 -19.808 62 HG11 VAL 8 HG11 VAL 8 -15.822 0.958 -20.939 63 HG12 VAL 8 HG12 VAL 8 -14.527 1.792 -20.078 64 HG13 VAL 8 HG13 VAL 8 -14.835 2.158 -21.775 65 HG21 VAL 8 HG21 VAL 8 -14.634 4.352 -20.150 66 HG22 VAL 8 HG22 VAL 8 -15.257 3.665 -18.650 67 HG23 VAL 8 HG23 VAL 8 -16.165 4.924 -19.487 68 H ASP 9 HN ASP 9 -17.645 6.043 -21.817 69 HA ASP 9 HA ASP 9 -15.408 7.029 -23.347 70 HB2 ASP 9 HB2 ASP 9 -18.005 7.906 -22.852 71 HB3 ASP 9 HB1 ASP 9 -16.991 9.068 -21.996 72 H MET 10 HN MET 10 -13.471 7.300 -22.435 73 HA MET 10 HA MET 10 -13.065 7.425 -19.631 74 HB2 MET 10 HB2 MET 10 -11.382 7.614 -22.063 75 HB3 MET 10 HB1 MET 10 -10.727 8.354 -20.602 76 HG2 MET 10 HG2 MET 10 -10.994 6.276 -19.368 77 HG3 MET 10 HG1 MET 10 -11.806 5.525 -20.742 78 HE1 MET 10 HE1 MET 10 -9.322 4.924 -23.369 79 HE2 MET 10 HE2 MET 10 -9.846 6.604 -23.319 80 HE3 MET 10 HE3 MET 10 -10.983 5.323 -22.911 81 H THR 11 HN THR 11 -13.509 9.074 -18.352 82 HA THR 11 HA THR 11 -13.262 11.821 -19.414 83 HB THR 11 HB THR 11 -14.816 10.975 -16.962 84 HG1 THR 11 HG1 THR 11 -16.471 10.575 -18.219 85 HG21 THR 11 HG21 THR 11 -15.184 13.403 -18.716 86 HG22 THR 11 HG22 THR 11 -14.039 13.397 -17.374 87 HG23 THR 11 HG23 THR 11 -15.758 13.146 -17.068 88 H CYS 12 HN CYS 12 -12.443 9.613 -16.821 89 HA CYS 12 HA CYS 12 -10.686 11.645 -15.600 90 HB2 CYS 12 HB2 CYS 12 -12.079 9.210 -14.563 91 HB3 CYS 12 HB1 CYS 12 -10.575 9.722 -13.798 92 HG CYS 12 HG CYS 12 -12.547 12.028 -14.113 93 H GLY 13 HN GLY 13 -10.095 10.227 -18.083 94 HA2 GLY 13 HA2 GLY 13 -8.609 8.162 -18.446 95 HA3 GLY 13 HA1 GLY 13 -7.867 9.714 -18.816 96 H GLY 14 HN GLY 14 -7.283 10.791 -16.436 97 HA2 GLY 14 HA2 GLY 14 -4.969 9.388 -15.602 98 HA3 GLY 14 HA1 GLY 14 -5.664 10.795 -14.801 99 H CYS 15 HN CYS 15 -8.062 10.004 -13.931 100 HA CYS 15 HA CYS 15 -7.382 8.114 -11.828 101 HB2 CYS 15 HB2 CYS 15 -10.124 8.985 -11.749 102 HB3 CYS 15 HB1 CYS 15 -8.814 9.339 -10.622 103 HG CYS 15 HG CYS 15 -8.724 11.615 -11.571 104 H ALA 16 HN ALA 16 -9.796 8.381 -14.445 105 HA ALA 16 HA ALA 16 -11.238 6.049 -13.915 106 HB1 ALA 16 HB1 ALA 16 -10.691 7.649 -16.376 107 HB2 ALA 16 HB2 ALA 16 -12.226 7.283 -15.590 108 HB3 ALA 16 HB3 ALA 16 -11.418 6.056 -16.564 109 H GLU 17 HN GLU 17 -8.130 6.477 -15.531 110 HA GLU 17 HA GLU 17 -7.928 3.858 -16.603 111 HB2 GLU 17 HB2 GLU 17 -6.468 5.548 -17.460 112 HB3 GLU 17 HB1 GLU 17 -5.835 5.904 -15.853 113 HG2 GLU 17 HG2 GLU 17 -4.365 4.187 -15.936 114 HG3 GLU 17 HG1 GLU 17 -5.576 3.077 -16.575 115 H ALA 18 HN ALA 18 -6.768 5.288 -13.552 116 HA ALA 18 HA ALA 18 -5.505 2.954 -12.567 117 HB1 ALA 18 HB1 ALA 18 -6.824 4.911 -10.719 118 HB2 ALA 18 HB2 ALA 18 -5.463 5.444 -11.707 119 HB3 ALA 18 HB3 ALA 18 -5.258 4.112 -10.570 120 H VAL 19 HN VAL 19 -8.797 4.106 -12.546 121 HA VAL 19 HA VAL 19 -9.871 2.306 -10.643 122 HB VAL 19 HB VAL 19 -10.979 4.031 -12.821 123 HG11 VAL 19 HG11 VAL 19 -12.472 1.820 -11.381 124 HG12 VAL 19 HG12 VAL 19 -12.274 2.008 -13.124 125 HG13 VAL 19 HG13 VAL 19 -13.265 3.154 -12.220 126 HG21 VAL 19 HG21 VAL 19 -12.173 5.022 -10.955 127 HG22 VAL 19 HG22 VAL 19 -10.486 4.832 -10.481 128 HG23 VAL 19 HG23 VAL 19 -11.701 3.696 -9.893 129 H SER 20 HN SER 20 -9.266 2.094 -14.108 130 HA SER 20 HA SER 20 -10.746 -0.189 -14.725 131 HB2 SER 20 HB2 SER 20 -9.368 -0.399 -16.658 132 HB3 SER 20 HB1 SER 20 -9.472 1.327 -16.320 133 HG SER 20 HG SER 20 -7.467 0.668 -14.941 134 H ARG 21 HN ARG 21 -7.605 0.136 -13.158 135 HA ARG 21 HA ARG 21 -6.795 -2.564 -13.306 136 HB2 ARG 21 HB2 ARG 21 -6.246 -0.498 -11.155 137 HB3 ARG 21 HB1 ARG 21 -5.394 -2.032 -11.327 138 HG2 ARG 21 HG2 ARG 21 -4.739 -1.340 -13.649 139 HG3 ARG 21 HG1 ARG 21 -5.452 0.242 -13.329 140 HD2 ARG 21 HD2 ARG 21 -2.978 0.166 -12.920 141 HD3 ARG 21 HD1 ARG 21 -3.910 0.633 -11.500 142 HE ARG 21 HE ARG 21 -3.444 -2.200 -11.602 143 HH11 ARG 21 HH21 ARG 21 -2.068 0.879 -10.831 144 HH12 ARG 21 HH22 ARG 21 -0.961 0.247 -9.658 145 HH21 ARG 21 HH11 ARG 21 -1.997 -3.037 -10.062 146 HH22 ARG 21 HH12 ARG 21 -0.924 -1.970 -9.220 147 H VAL 22 HN VAL 22 -8.828 -0.790 -11.054 148 HA VAL 22 HA VAL 22 -9.195 -2.738 -9.085 149 HB VAL 22 HB VAL 22 -11.264 -0.742 -10.024 150 HG11 VAL 22 HG11 VAL 22 -11.278 -2.711 -8.005 151 HG12 VAL 22 HG12 VAL 22 -12.427 -1.388 -8.207 152 HG13 VAL 22 HG13 VAL 22 -11.013 -1.179 -7.172 153 HG21 VAL 22 HG21 VAL 22 -10.218 0.799 -8.392 154 HG22 VAL 22 HG22 VAL 22 -9.085 0.362 -9.669 155 HG23 VAL 22 HG23 VAL 22 -8.956 -0.393 -8.080 156 H LEU 23 HN LEU 23 -10.355 -2.637 -12.334 157 HA LEU 23 HA LEU 23 -12.760 -4.054 -12.114 158 HB2 LEU 23 HB2 LEU 23 -11.441 -3.000 -14.204 159 HB3 LEU 23 HB1 LEU 23 -11.004 -4.694 -14.425 160 HG LEU 23 HG LEU 23 -13.804 -3.553 -14.218 161 HD11 LEU 23 HD11 LEU 23 -12.516 -5.131 -16.455 162 HD12 LEU 23 HD12 LEU 23 -12.509 -3.369 -16.402 163 HD13 LEU 23 HD13 LEU 23 -14.038 -4.242 -16.499 164 HD21 LEU 23 HD21 LEU 23 -12.764 -6.389 -14.187 165 HD22 LEU 23 HD22 LEU 23 -14.393 -6.015 -14.751 166 HD23 LEU 23 HD23 LEU 23 -13.926 -5.636 -13.094 167 H ASN 24 HN ASN 24 -9.423 -5.184 -12.123 168 HA ASN 24 HA ASN 24 -9.849 -7.916 -12.524 169 HB2 ASN 24 HB2 ASN 24 -7.685 -6.297 -11.847 170 HB3 ASN 24 HB1 ASN 24 -7.847 -7.394 -10.476 171 HD21 ASN 24 HD21 ASN 24 -6.290 -7.145 -13.388 172 HD22 ASN 24 HD22 ASN 24 -6.145 -8.792 -13.774 173 H LYS 25 HN LYS 25 -10.293 -5.906 -9.688 174 HA LYS 25 HA LYS 25 -10.638 -8.003 -7.799 175 HB2 LYS 25 HB2 LYS 25 -10.131 -5.586 -7.281 176 HB3 LYS 25 HB1 LYS 25 -11.816 -5.226 -7.659 177 HG2 LYS 25 HG2 LYS 25 -12.064 -5.614 -5.410 178 HG3 LYS 25 HG1 LYS 25 -12.200 -7.281 -5.969 179 HD2 LYS 25 HD2 LYS 25 -9.754 -7.573 -5.619 180 HD3 LYS 25 HD1 LYS 25 -9.670 -5.929 -4.985 181 HE2 LYS 25 HE2 LYS 25 -11.731 -7.008 -3.512 182 HE3 LYS 25 HE1 LYS 25 -10.643 -8.383 -3.692 183 HZ1 LYS 25 HZ1 LYS 25 -9.143 -6.070 -3.131 184 HZ2 LYS 25 HZ2 LYS 25 -9.283 -7.492 -2.212 185 HZ3 LYS 25 HZ3 LYS 25 -10.375 -6.212 -1.975 186 H LEU 26 HN LEU 26 -12.942 -6.074 -9.713 187 HA LEU 26 HA LEU 26 -15.231 -7.478 -8.650 188 HB2 LEU 26 HB2 LEU 26 -14.834 -5.045 -9.903 189 HB3 LEU 26 HB1 LEU 26 -15.643 -6.007 -11.139 190 HG LEU 26 HG LEU 26 -17.345 -4.929 -9.820 191 HD11 LEU 26 HD11 LEU 26 -17.425 -7.613 -8.546 192 HD12 LEU 26 HD12 LEU 26 -17.305 -7.579 -10.306 193 HD13 LEU 26 HD13 LEU 26 -18.654 -6.780 -9.498 194 HD21 LEU 26 HD21 LEU 26 -16.852 -4.364 -7.691 195 HD22 LEU 26 HD22 LEU 26 -15.473 -5.463 -7.674 196 HD23 LEU 26 HD23 LEU 26 -17.080 -6.056 -7.247 197 H GLY 27 HN GLY 27 -13.374 -7.506 -11.665 198 HA2 GLY 27 HA2 GLY 27 -15.077 -9.629 -12.747 199 HA3 GLY 27 HA1 GLY 27 -13.814 -8.763 -13.618 200 H GLY 28 HN GLY 28 -11.619 -9.077 -12.022 201 HA2 GLY 28 HA2 GLY 28 -9.898 -10.568 -11.640 202 HA3 GLY 28 HA1 GLY 28 -11.135 -11.606 -10.932 203 H VAL 29 HN VAL 29 -11.439 -10.558 -14.207 204 HA VAL 29 HA VAL 29 -10.681 -13.252 -15.169 205 HB VAL 29 HB VAL 29 -12.451 -12.951 -16.893 206 HG11 VAL 29 HG11 VAL 29 -14.201 -12.658 -14.661 207 HG12 VAL 29 HG12 VAL 29 -12.752 -13.485 -14.090 208 HG13 VAL 29 HG13 VAL 29 -13.676 -14.153 -15.434 209 HG21 VAL 29 HG21 VAL 29 -13.893 -11.106 -16.892 210 HG22 VAL 29 HG22 VAL 29 -12.355 -10.355 -16.469 211 HG23 VAL 29 HG23 VAL 29 -13.540 -10.707 -15.211 212 H LYS 30 HN LYS 30 -10.597 -13.064 -17.732 213 HA LYS 30 HA LYS 30 -8.315 -11.437 -18.292 214 HB2 LYS 30 HB2 LYS 30 -9.991 -13.391 -19.800 215 HB3 LYS 30 HB1 LYS 30 -8.983 -12.279 -20.726 216 HG2 LYS 30 HG2 LYS 30 -6.989 -13.060 -19.709 217 HG3 LYS 30 HG1 LYS 30 -7.870 -13.857 -18.406 218 HD2 LYS 30 HD2 LYS 30 -8.805 -15.476 -19.996 219 HD3 LYS 30 HD1 LYS 30 -7.983 -14.664 -21.328 220 HE2 LYS 30 HE2 LYS 30 -6.158 -15.327 -19.145 221 HE3 LYS 30 HE1 LYS 30 -6.947 -16.755 -19.815 222 HZ1 LYS 30 HZ1 LYS 30 -5.733 -14.687 -21.543 223 HZ2 LYS 30 HZ2 LYS 30 -6.151 -16.284 -21.942 224 HZ3 LYS 30 HZ3 LYS 30 -4.823 -15.978 -20.927 225 H TYR 31 HN TYR 31 -8.161 -9.549 -19.378 226 HA TYR 31 HA TYR 31 -10.559 -8.408 -20.621 227 HB2 TYR 31 HB2 TYR 31 -10.244 -6.270 -19.436 228 HB3 TYR 31 HB1 TYR 31 -10.605 -7.585 -18.318 229 HD1 TYR 31 HD2 TYR 31 -8.819 -8.582 -16.920 230 HD2 TYR 31 HD1 TYR 31 -8.073 -5.202 -19.465 231 HE1 TYR 31 HE2 TYR 31 -6.701 -8.137 -15.710 232 HE2 TYR 31 HE1 TYR 31 -5.956 -4.758 -18.255 233 HH TYR 31 HH TYR 31 -4.611 -7.016 -16.014 234 H ASP 32 HN ASP 32 -10.097 -6.472 -21.898 235 HA ASP 32 HA ASP 32 -7.287 -6.139 -22.688 236 HB2 ASP 32 HB2 ASP 32 -9.460 -7.266 -24.349 237 HB3 ASP 32 HB1 ASP 32 -8.489 -6.012 -25.118 238 H ILE 33 HN ILE 33 -6.772 -4.066 -23.187 239 HA ILE 33 HA ILE 33 -8.999 -2.123 -23.275 240 HB ILE 33 HB ILE 33 -6.840 -0.641 -22.484 241 HG12 ILE 33 HG12 ILE 33 -5.896 -1.991 -20.546 242 HG13 ILE 33 HG11 ILE 33 -6.595 -3.423 -21.296 243 HG21 ILE 33 HG21 ILE 33 -9.170 -0.704 -21.555 244 HG22 ILE 33 HG22 ILE 33 -7.921 -0.601 -20.314 245 HG23 ILE 33 HG23 ILE 33 -8.718 -2.140 -20.636 246 HD11 ILE 33 HD11 ILE 33 -4.098 -2.676 -21.831 247 HD12 ILE 33 HD12 ILE 33 -4.909 -1.623 -22.991 248 HD13 ILE 33 HD13 ILE 33 -5.123 -3.370 -23.087 249 H ASP 34 HN ASP 34 -9.155 -0.918 -25.049 250 HA ASP 34 HA ASP 34 -6.812 -0.776 -26.853 251 HB2 ASP 34 HB2 ASP 34 -9.768 -0.920 -27.409 252 HB3 ASP 34 HB1 ASP 34 -8.642 -0.288 -28.608 253 H LEU 35 HN LEU 35 -5.889 1.128 -26.259 254 HA LEU 35 HA LEU 35 -7.248 3.452 -25.438 255 HB2 LEU 35 HB2 LEU 35 -4.591 2.653 -25.700 256 HB3 LEU 35 HB1 LEU 35 -4.745 4.019 -26.805 257 HG LEU 35 HG LEU 35 -5.653 4.042 -23.912 258 HD11 LEU 35 HD11 LEU 35 -3.631 4.941 -23.311 259 HD12 LEU 35 HD12 LEU 35 -3.400 5.730 -24.871 260 HD13 LEU 35 HD13 LEU 35 -3.066 4.007 -24.695 261 HD21 LEU 35 HD21 LEU 35 -6.944 5.637 -25.085 262 HD22 LEU 35 HD22 LEU 35 -5.607 6.066 -26.152 263 HD23 LEU 35 HD23 LEU 35 -5.589 6.580 -24.465 264 HA PRO 36 HA PRO 36 -6.582 4.874 -30.078 265 HB2 PRO 36 HB2 PRO 36 -6.910 2.265 -31.440 266 HB3 PRO 36 HB1 PRO 36 -5.749 3.567 -31.758 267 HG2 PRO 36 HG2 PRO 36 -5.026 1.259 -30.609 268 HG3 PRO 36 HG1 PRO 36 -4.260 2.802 -30.200 269 HD2 PRO 36 HD2 PRO 36 -6.265 1.221 -28.638 270 HD3 PRO 36 HD1 PRO 36 -4.915 2.224 -28.057 271 H ASN 37 HN ASN 37 -8.704 2.225 -29.146 272 HA ASN 37 HA ASN 37 -10.883 3.402 -30.746 273 HB2 ASN 37 HB2 ASN 37 -10.208 0.675 -29.861 274 HB3 ASN 37 HB1 ASN 37 -11.914 1.097 -29.713 275 HD21 ASN 37 HD21 ASN 37 -9.273 1.573 -32.143 276 HD22 ASN 37 HD22 ASN 37 -10.252 1.206 -33.481 277 H LYS 38 HN LYS 38 -9.653 3.422 -27.638 278 HA LYS 38 HA LYS 38 -10.495 4.027 -25.582 279 HB2 LYS 38 HB2 LYS 38 -12.798 5.321 -27.012 280 HB3 LYS 38 HB1 LYS 38 -11.916 5.882 -25.592 281 HG2 LYS 38 HG2 LYS 38 -9.930 6.312 -26.974 282 HG3 LYS 38 HG1 LYS 38 -10.780 5.715 -28.399 283 HD2 LYS 38 HD2 LYS 38 -12.552 7.506 -27.891 284 HD3 LYS 38 HD1 LYS 38 -11.365 8.201 -26.786 285 HE2 LYS 38 HE2 LYS 38 -10.860 9.353 -28.742 286 HE3 LYS 38 HE1 LYS 38 -9.755 7.984 -28.870 287 HZ1 LYS 38 HZ1 LYS 38 -10.722 7.673 -30.842 288 HZ2 LYS 38 HZ2 LYS 38 -12.066 8.640 -30.460 289 HZ3 LYS 38 HZ3 LYS 38 -12.017 7.016 -29.966 290 H LYS 39 HN LYS 39 -11.261 1.462 -26.513 291 HA LYS 39 HA LYS 39 -13.934 1.218 -25.269 292 HB2 LYS 39 HB2 LYS 39 -12.779 -0.221 -27.655 293 HB3 LYS 39 HB1 LYS 39 -14.133 -0.878 -26.735 294 HG2 LYS 39 HG2 LYS 39 -15.327 1.318 -27.083 295 HG3 LYS 39 HG1 LYS 39 -14.028 1.779 -28.183 296 HD2 LYS 39 HD2 LYS 39 -14.612 0.168 -29.768 297 HD3 LYS 39 HD1 LYS 39 -15.428 -0.847 -28.579 298 HE2 LYS 39 HE2 LYS 39 -16.406 1.795 -29.694 299 HE3 LYS 39 HE1 LYS 39 -17.127 0.205 -29.944 300 HZ1 LYS 39 HZ1 LYS 39 -18.388 0.764 -28.203 301 HZ2 LYS 39 HZ2 LYS 39 -17.329 1.988 -27.684 302 HZ3 LYS 39 HZ3 LYS 39 -17.031 0.368 -27.265 303 H VAL 40 HN VAL 40 -14.321 -0.880 -24.227 304 HA VAL 40 HA VAL 40 -11.847 -2.229 -23.351 305 HB VAL 40 HB VAL 40 -14.065 -1.761 -21.393 306 HG11 VAL 40 HG11 VAL 40 -11.060 -2.129 -21.238 307 HG12 VAL 40 HG12 VAL 40 -12.296 -3.291 -20.759 308 HG13 VAL 40 HG13 VAL 40 -12.085 -1.800 -19.841 309 HG21 VAL 40 HG21 VAL 40 -12.956 0.324 -20.671 310 HG22 VAL 40 HG22 VAL 40 -13.536 0.470 -22.330 311 HG23 VAL 40 HG23 VAL 40 -11.823 0.192 -22.016 312 H CYS 41 HN CYS 41 -11.985 -4.332 -23.756 313 HA CYS 41 HA CYS 41 -14.663 -5.593 -23.797 314 HB2 CYS 41 HB2 CYS 41 -13.039 -7.335 -25.151 315 HB3 CYS 41 HB1 CYS 41 -14.048 -6.109 -25.916 316 HG CYS 41 HG CYS 41 -11.431 -5.933 -26.620 317 H ILE 42 HN ILE 42 -14.995 -6.786 -22.031 318 HA ILE 42 HA ILE 42 -12.710 -8.307 -20.935 319 HB ILE 42 HB ILE 42 -13.041 -6.793 -19.234 320 HG12 ILE 42 HG12 ILE 42 -15.236 -8.783 -18.589 321 HG13 ILE 42 HG11 ILE 42 -13.518 -9.159 -18.455 322 HG21 ILE 42 HG21 ILE 42 -15.982 -6.852 -19.955 323 HG22 ILE 42 HG22 ILE 42 -14.843 -5.547 -20.286 324 HG23 ILE 42 HG23 ILE 42 -15.301 -5.916 -18.625 325 HD11 ILE 42 HD11 ILE 42 -14.876 -8.242 -16.365 326 HD12 ILE 42 HD12 ILE 42 -14.538 -6.684 -17.118 327 HD13 ILE 42 HD13 ILE 42 -13.209 -7.742 -16.648 328 H GLU 43 HN GLU 43 -13.004 -10.410 -20.489 329 HA GLU 43 HA GLU 43 -15.676 -11.547 -21.054 330 HB2 GLU 43 HB2 GLU 43 -14.053 -12.448 -22.575 331 HB3 GLU 43 HB1 GLU 43 -12.891 -12.708 -21.275 332 HG2 GLU 43 HG2 GLU 43 -15.427 -14.025 -20.717 333 HG3 GLU 43 HG1 GLU 43 -14.732 -14.574 -22.240 334 H SER 44 HN SER 44 -16.758 -12.059 -19.244 335 HA SER 44 HA SER 44 -15.217 -13.151 -16.974 336 HB2 SER 44 HB2 SER 44 -17.597 -11.681 -16.171 337 HB3 SER 44 HB1 SER 44 -15.948 -11.572 -15.561 338 HG SER 44 HG SER 44 -16.476 -10.569 -18.112 339 H GLU 45 HN GLU 45 -16.572 -14.312 -15.407 340 HA GLU 45 HA GLU 45 -18.154 -16.290 -16.705 341 HB2 GLU 45 HB2 GLU 45 -18.229 -15.889 -13.742 342 HB3 GLU 45 HB1 GLU 45 -18.133 -17.387 -14.668 343 HG2 GLU 45 HG2 GLU 45 -15.797 -16.602 -15.396 344 HG3 GLU 45 HG1 GLU 45 -15.928 -15.394 -14.119 345 H HIS 46 HN HIS 46 -18.859 -13.236 -15.268 346 HA HIS 46 HA HIS 46 -21.727 -13.889 -15.101 347 HB2 HIS 46 HB2 HIS 46 -19.997 -11.807 -13.822 348 HB3 HIS 46 HB1 HIS 46 -21.724 -11.505 -14.012 349 HD1 HIS 46 HD1 HIS 46 -21.632 -11.657 -11.278 350 HD2 HIS 46 HD2 HIS 46 -21.073 -15.222 -13.364 351 HE1 HIS 46 HE1 HIS 46 -22.021 -13.529 -9.616 352 H SER 47 HN SER 47 -19.696 -11.140 -16.103 353 HA SER 47 HA SER 47 -19.834 -9.750 -17.936 354 HB2 SER 47 HB2 SER 47 -21.036 -12.209 -18.831 355 HB3 SER 47 HB1 SER 47 -21.916 -10.841 -19.504 356 HG SER 47 HG SER 47 -19.471 -11.784 -20.124 357 H MET 48 HN MET 48 -20.721 -7.833 -17.546 358 HA MET 48 HA MET 48 -22.397 -6.217 -17.533 359 HB2 MET 48 HB2 MET 48 -23.776 -8.053 -18.783 360 HB3 MET 48 HB1 MET 48 -24.516 -8.319 -17.203 361 HG2 MET 48 HG2 MET 48 -24.467 -5.526 -17.531 362 HG3 MET 48 HG1 MET 48 -24.979 -6.169 -19.090 363 HE1 MET 48 HE1 MET 48 -26.954 -4.392 -17.779 364 HE2 MET 48 HE2 MET 48 -28.438 -5.340 -17.860 365 HE3 MET 48 HE3 MET 48 -27.297 -5.387 -19.202 366 H ASP 49 HN ASP 49 -21.102 -6.278 -15.390 367 HA ASP 49 HA ASP 49 -22.757 -5.602 -13.281 368 HB2 ASP 49 HB2 ASP 49 -23.591 -7.731 -12.900 369 HB3 ASP 49 HB1 ASP 49 -22.091 -8.518 -13.385 370 H THR 50 HN THR 50 -19.736 -7.248 -14.103 371 HA THR 50 HA THR 50 -18.323 -6.198 -11.818 372 HB THR 50 HB THR 50 -17.368 -8.191 -12.478 373 HG1 THR 50 HG1 THR 50 -15.733 -7.013 -14.272 374 HG21 THR 50 HG21 THR 50 -18.158 -7.302 -15.226 375 HG22 THR 50 HG22 THR 50 -18.473 -8.836 -14.413 376 HG23 THR 50 HG23 THR 50 -16.870 -8.495 -15.062 377 H LEU 51 HN LEU 51 -18.626 -5.368 -15.233 378 HA LEU 51 HA LEU 51 -16.528 -3.487 -15.364 379 HB2 LEU 51 HB2 LEU 51 -19.025 -3.929 -16.978 380 HB3 LEU 51 HB1 LEU 51 -17.940 -2.584 -17.316 381 HG LEU 51 HG LEU 51 -16.053 -4.325 -17.343 382 HD11 LEU 51 HD11 LEU 51 -17.374 -6.550 -18.262 383 HD12 LEU 51 HD12 LEU 51 -18.440 -6.017 -16.964 384 HD13 LEU 51 HD13 LEU 51 -16.745 -6.369 -16.624 385 HD21 LEU 51 HD21 LEU 51 -16.233 -3.989 -19.564 386 HD22 LEU 51 HD22 LEU 51 -17.895 -3.449 -19.330 387 HD23 LEU 51 HD23 LEU 51 -17.557 -5.150 -19.649 388 H LEU 52 HN LEU 52 -20.033 -2.951 -14.966 389 HA LEU 52 HA LEU 52 -19.999 -0.189 -14.838 390 HB2 LEU 52 HB2 LEU 52 -22.046 -0.648 -13.213 391 HB3 LEU 52 HB1 LEU 52 -22.144 -0.970 -14.942 392 HG LEU 52 HG LEU 52 -21.097 -3.128 -13.143 393 HD11 LEU 52 HD11 LEU 52 -23.787 -1.948 -13.021 394 HD12 LEU 52 HD12 LEU 52 -22.999 -3.064 -11.905 395 HD13 LEU 52 HD13 LEU 52 -23.802 -3.680 -13.350 396 HD21 LEU 52 HD21 LEU 52 -21.384 -4.371 -15.007 397 HD22 LEU 52 HD22 LEU 52 -21.743 -2.877 -15.872 398 HD23 LEU 52 HD23 LEU 52 -23.053 -3.833 -15.181 399 H ALA 53 HN ALA 53 -19.852 -2.425 -12.033 400 HA ALA 53 HA ALA 53 -19.705 -0.456 -10.062 401 HB1 ALA 53 HB1 ALA 53 -18.026 -2.861 -9.654 402 HB2 ALA 53 HB2 ALA 53 -19.729 -3.151 -10.007 403 HB3 ALA 53 HB3 ALA 53 -19.272 -2.165 -8.618 404 H THR 54 HN THR 54 -17.047 -2.062 -11.806 405 HA THR 54 HA THR 54 -14.993 -0.571 -10.510 406 HB THR 54 HB THR 54 -14.656 -1.802 -13.220 407 HG1 THR 54 HG1 THR 54 -14.457 -3.795 -12.181 408 HG21 THR 54 HG21 THR 54 -12.924 -0.563 -11.571 409 HG22 THR 54 HG22 THR 54 -12.448 -1.891 -12.627 410 HG23 THR 54 HG23 THR 54 -12.813 -2.199 -10.930 411 H LEU 55 HN LEU 55 -16.426 -0.305 -13.774 412 HA LEU 55 HA LEU 55 -14.860 1.891 -14.577 413 HB2 LEU 55 HB2 LEU 55 -17.375 0.617 -15.535 414 HB3 LEU 55 HB1 LEU 55 -16.993 2.231 -16.129 415 HG LEU 55 HG LEU 55 -14.874 1.507 -16.998 416 HD11 LEU 55 HD11 LEU 55 -14.425 -1.090 -16.716 417 HD12 LEU 55 HD12 LEU 55 -15.415 -0.883 -15.272 418 HD13 LEU 55 HD13 LEU 55 -13.928 0.045 -15.461 419 HD21 LEU 55 HD21 LEU 55 -15.844 -0.797 -18.158 420 HD22 LEU 55 HD22 LEU 55 -16.193 0.836 -18.727 421 HD23 LEU 55 HD23 LEU 55 -17.328 0.013 -17.657 422 H LYS 56 HN LYS 56 -18.130 1.804 -13.140 423 HA LYS 56 HA LYS 56 -18.530 4.611 -13.267 424 HB2 LYS 56 HB2 LYS 56 -20.162 2.549 -12.702 425 HB3 LYS 56 HB1 LYS 56 -19.829 3.110 -11.064 426 HG2 LYS 56 HG2 LYS 56 -21.752 4.328 -11.823 427 HG3 LYS 56 HG1 LYS 56 -20.393 5.452 -11.881 428 HD2 LYS 56 HD2 LYS 56 -20.333 5.482 -14.182 429 HD3 LYS 56 HD1 LYS 56 -20.925 3.827 -14.325 430 HE2 LYS 56 HE2 LYS 56 -22.633 5.424 -15.093 431 HE3 LYS 56 HE1 LYS 56 -23.180 4.581 -13.644 432 HZ1 LYS 56 HZ1 LYS 56 -22.495 6.465 -12.315 433 HZ2 LYS 56 HZ2 LYS 56 -23.587 6.965 -13.515 434 HZ3 LYS 56 HZ3 LYS 56 -21.926 7.272 -13.694 435 H LYS 57 HN LYS 57 -16.645 2.637 -11.167 436 HA LYS 57 HA LYS 57 -16.600 3.855 -8.744 437 HB2 LYS 57 HB2 LYS 57 -14.988 2.062 -9.849 438 HB3 LYS 57 HB1 LYS 57 -13.941 3.466 -10.051 439 HG2 LYS 57 HG2 LYS 57 -15.238 2.795 -7.402 440 HG3 LYS 57 HG1 LYS 57 -13.668 2.142 -7.870 441 HD2 LYS 57 HD2 LYS 57 -13.087 4.649 -8.394 442 HD3 LYS 57 HD1 LYS 57 -14.437 4.991 -7.311 443 HE2 LYS 57 HE2 LYS 57 -12.605 4.927 -5.842 444 HE3 LYS 57 HE1 LYS 57 -13.269 3.299 -5.707 445 HZ1 LYS 57 HZ1 LYS 57 -11.643 2.486 -7.230 446 HZ2 LYS 57 HZ2 LYS 57 -10.831 3.366 -6.025 447 HZ3 LYS 57 HZ3 LYS 57 -11.076 4.051 -7.560 448 H THR 58 HN THR 58 -15.109 5.105 -11.716 449 HA THR 58 HA THR 58 -14.221 7.529 -10.379 450 HB THR 58 HB THR 58 -14.132 7.680 -13.259 451 HG1 THR 58 HG1 THR 58 -12.531 5.600 -12.502 452 HG21 THR 58 HG21 THR 58 -11.732 7.894 -12.821 453 HG22 THR 58 HG22 THR 58 -11.961 7.290 -11.179 454 HG23 THR 58 HG23 THR 58 -12.643 8.847 -11.649 455 H GLY 59 HN GLY 59 -16.785 6.494 -12.570 456 HA2 GLY 59 HA2 GLY 59 -18.940 7.671 -12.311 457 HA3 GLY 59 HA1 GLY 59 -18.019 9.171 -12.280 458 H ALA 60 HN ALA 60 -16.830 6.825 -14.458 459 HA ALA 60 HA ALA 60 -17.443 8.490 -16.723 460 HB1 ALA 60 HB1 ALA 60 -16.106 5.792 -16.467 461 HB2 ALA 60 HB2 ALA 60 -15.330 7.354 -16.725 462 HB3 ALA 60 HB3 ALA 60 -16.310 6.634 -18.003 463 H THR 61 HN THR 61 -18.767 8.011 -18.480 464 HA THR 61 HA THR 61 -21.130 6.487 -17.858 465 HB THR 61 HB THR 61 -21.552 7.108 -20.399 466 HG1 THR 61 HG1 THR 61 -19.141 8.159 -19.839 467 HG21 THR 61 HG21 THR 61 -22.639 8.032 -18.296 468 HG22 THR 61 HG22 THR 61 -22.547 9.156 -19.653 469 HG23 THR 61 HG23 THR 61 -21.407 9.295 -18.315 470 H VAL 62 HN VAL 62 -21.493 4.403 -18.303 471 HA VAL 62 HA VAL 62 -19.649 3.024 -20.135 472 HB VAL 62 HB VAL 62 -20.277 1.000 -18.906 473 HG11 VAL 62 HG11 VAL 62 -18.520 2.819 -18.110 474 HG12 VAL 62 HG12 VAL 62 -18.901 1.433 -17.088 475 HG13 VAL 62 HG13 VAL 62 -19.650 2.996 -16.768 476 HG21 VAL 62 HG21 VAL 62 -21.951 2.904 -17.249 477 HG22 VAL 62 HG22 VAL 62 -21.670 1.206 -16.869 478 HG23 VAL 62 HG23 VAL 62 -22.575 1.647 -18.317 479 H SER 63 HN SER 63 -20.493 1.486 -21.611 480 HA SER 63 HA SER 63 -23.403 1.567 -22.051 481 HB2 SER 63 HB2 SER 63 -21.912 3.177 -23.536 482 HB3 SER 63 HB1 SER 63 -21.616 1.694 -24.438 483 HG SER 63 HG SER 63 -23.503 2.044 -25.283 484 H TYR 64 HN TYR 64 -24.056 -0.473 -21.934 485 HA TYR 64 HA TYR 64 -22.257 -2.663 -22.575 486 HB2 TYR 64 HB2 TYR 64 -23.559 -3.858 -21.180 487 HB3 TYR 64 HB1 TYR 64 -24.359 -2.338 -20.790 488 HD1 TYR 64 HD1 TYR 64 -26.372 -1.626 -22.207 489 HD2 TYR 64 HD2 TYR 64 -24.710 -5.586 -22.306 490 HE1 TYR 64 HE1 TYR 64 -28.476 -2.485 -23.201 491 HE2 TYR 64 HE2 TYR 64 -26.814 -6.444 -23.299 492 HH TYR 64 HH TYR 64 -29.394 -5.534 -23.206 493 H LEU 65 HN LEU 65 -22.077 -3.509 -24.543 494 HA LEU 65 HA LEU 65 -24.004 -2.816 -26.611 495 HB2 LEU 65 HB2 LEU 65 -21.342 -4.232 -26.612 496 HB3 LEU 65 HB1 LEU 65 -22.368 -4.174 -28.046 497 HG LEU 65 HG LEU 65 -21.849 -1.609 -26.604 498 HD11 LEU 65 HD11 LEU 65 -19.831 -3.148 -28.243 499 HD12 LEU 65 HD12 LEU 65 -19.604 -2.375 -26.675 500 HD13 LEU 65 HD13 LEU 65 -19.778 -1.389 -28.126 501 HD21 LEU 65 HD21 LEU 65 -23.321 -2.055 -28.710 502 HD22 LEU 65 HD22 LEU 65 -21.783 -2.163 -29.567 503 HD23 LEU 65 HD23 LEU 65 -22.225 -0.672 -28.734 504 H GLY 66 HN GLY 66 -22.911 -5.678 -24.854 505 HA2 GLY 66 HA2 GLY 66 -24.772 -7.310 -24.427 506 HA3 GLY 66 HA1 GLY 66 -25.067 -7.233 -26.163 507 H LEU 67 HN LEU 67 -24.736 -9.672 -25.585 508 HA LEU 67 HA LEU 67 -21.911 -10.434 -25.510 509 HB2 LEU 67 HB2 LEU 67 -24.461 -12.063 -25.439 510 HB3 LEU 67 HB1 LEU 67 -22.840 -12.758 -25.399 511 HG LEU 67 HG LEU 67 -22.390 -11.243 -23.390 512 HD11 LEU 67 HD11 LEU 67 -24.078 -9.638 -23.378 513 HD12 LEU 67 HD12 LEU 67 -24.700 -10.792 -22.197 514 HD13 LEU 67 HD13 LEU 67 -25.322 -10.797 -23.847 515 HD21 LEU 67 HD21 LEU 67 -23.001 -13.742 -23.368 516 HD22 LEU 67 HD22 LEU 67 -24.629 -13.223 -22.930 517 HD23 LEU 67 HD23 LEU 67 -23.270 -12.852 -21.870 518 H GLU 68 HN GLU 68 -20.945 -11.754 -27.106 519 HA GLU 68 HA GLU 68 -22.355 -11.934 -29.687 520 HB2 GLU 68 HB2 GLU 68 -20.890 -9.892 -29.643 521 HB3 GLU 68 HB1 GLU 68 -19.505 -10.961 -29.413 522 HG2 GLU 68 HG2 GLU 68 -21.007 -12.024 -31.574 523 HG3 GLU 68 HG1 GLU 68 -20.864 -10.291 -31.858 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -16.603 -20.727 -22.849 2 H2 MET 1 HT2 MET 1 -18.036 -19.845 -22.613 3 H3 MET 1 HT3 MET 1 -17.339 -20.700 -21.321 4 HA MET 1 HA MET 1 -16.648 -18.587 -20.837 5 HB2 MET 1 HB2 MET 1 -14.634 -19.995 -22.577 6 HB3 MET 1 HB1 MET 1 -14.257 -18.421 -21.875 7 HG2 MET 1 HG2 MET 1 -13.469 -20.158 -20.364 8 HG3 MET 1 HG1 MET 1 -14.843 -19.341 -19.622 9 HE1 MET 1 HE1 MET 1 -13.900 -21.617 -18.457 10 HE2 MET 1 HE2 MET 1 -14.907 -23.062 -18.515 11 HE3 MET 1 HE3 MET 1 -15.587 -21.545 -17.928 12 HA PRO 2 HA PRO 2 -17.835 -16.410 -24.761 13 HB2 PRO 2 HB2 PRO 2 -19.943 -15.028 -23.753 14 HB3 PRO 2 HB1 PRO 2 -20.088 -16.699 -24.331 15 HG2 PRO 2 HG2 PRO 2 -19.905 -15.666 -21.550 16 HG3 PRO 2 HG1 PRO 2 -20.862 -17.008 -22.198 17 HD2 PRO 2 HD2 PRO 2 -18.466 -17.313 -20.831 18 HD3 PRO 2 HD1 PRO 2 -19.146 -18.514 -21.951 19 H LYS 3 HN LYS 3 -17.334 -14.284 -25.319 20 HA LYS 3 HA LYS 3 -15.912 -12.750 -23.278 21 HB2 LYS 3 HB2 LYS 3 -16.117 -11.726 -26.054 22 HB3 LYS 3 HB1 LYS 3 -14.715 -11.828 -24.988 23 HG2 LYS 3 HG2 LYS 3 -15.110 -14.446 -25.336 24 HG3 LYS 3 HG1 LYS 3 -15.847 -13.885 -26.836 25 HD2 LYS 3 HD2 LYS 3 -13.104 -12.975 -25.940 26 HD3 LYS 3 HD1 LYS 3 -13.345 -14.403 -26.947 27 HE2 LYS 3 HE2 LYS 3 -14.818 -12.711 -28.379 28 HE3 LYS 3 HE1 LYS 3 -13.767 -11.519 -27.615 29 HZ1 LYS 3 HZ1 LYS 3 -12.096 -13.546 -28.395 30 HZ2 LYS 3 HZ2 LYS 3 -12.279 -12.037 -29.154 31 HZ3 LYS 3 HZ3 LYS 3 -13.177 -13.376 -29.692 32 H HIS 4 HN HIS 4 -16.349 -10.551 -22.823 33 HA HIS 4 HA HIS 4 -19.119 -9.736 -23.475 34 HB2 HIS 4 HB2 HIS 4 -18.084 -10.180 -20.993 35 HB3 HIS 4 HB1 HIS 4 -17.783 -8.453 -21.181 36 HD1 HIS 4 HD1 HIS 4 -20.748 -10.194 -22.738 37 HD2 HIS 4 HD2 HIS 4 -19.943 -7.618 -19.562 38 HE1 HIS 4 HE1 HIS 4 -22.993 -9.408 -21.867 39 H GLU 5 HN GLU 5 -19.415 -7.865 -24.528 40 HA GLU 5 HA GLU 5 -17.046 -6.169 -25.005 41 HB2 GLU 5 HB2 GLU 5 -18.791 -5.264 -26.818 42 HB3 GLU 5 HB1 GLU 5 -17.777 -6.676 -27.123 43 HG2 GLU 5 HG2 GLU 5 -19.540 -8.183 -26.548 44 HG3 GLU 5 HG1 GLU 5 -20.523 -6.884 -25.875 45 H PHE 6 HN PHE 6 -16.976 -4.171 -24.194 46 HA PHE 6 HA PHE 6 -19.468 -2.789 -23.507 47 HB2 PHE 6 HB2 PHE 6 -17.585 -3.924 -21.582 48 HB3 PHE 6 HB1 PHE 6 -17.837 -2.193 -21.347 49 HD1 PHE 6 HD2 PHE 6 -19.465 -5.508 -21.419 50 HD2 PHE 6 HD1 PHE 6 -20.015 -1.302 -20.739 51 HE1 PHE 6 HE2 PHE 6 -21.675 -5.964 -20.386 52 HE2 PHE 6 HE1 PHE 6 -22.222 -1.758 -19.706 53 HZ PHE 6 HZ PHE 6 -23.052 -4.087 -19.530 54 H SER 7 HN SER 7 -19.343 -0.588 -23.702 55 HA SER 7 HA SER 7 -16.699 0.534 -24.416 56 HB2 SER 7 HB2 SER 7 -17.725 0.624 -26.477 57 HB3 SER 7 HB1 SER 7 -19.342 0.745 -25.788 58 HG SER 7 HG SER 7 -19.147 2.840 -25.755 59 H VAL 8 HN VAL 8 -16.071 2.020 -23.003 60 HA VAL 8 HA VAL 8 -18.112 3.784 -21.799 61 HB VAL 8 HB VAL 8 -17.575 2.315 -20.020 62 HG11 VAL 8 HG11 VAL 8 -15.038 2.033 -19.458 63 HG12 VAL 8 HG12 VAL 8 -14.784 2.520 -21.134 64 HG13 VAL 8 HG13 VAL 8 -15.727 1.074 -20.769 65 HG21 VAL 8 HG21 VAL 8 -15.482 4.334 -19.394 66 HG22 VAL 8 HG22 VAL 8 -16.912 3.872 -18.469 67 HG23 VAL 8 HG23 VAL 8 -17.065 4.973 -19.838 68 H ASP 9 HN ASP 9 -17.633 5.908 -21.846 69 HA ASP 9 HA ASP 9 -15.259 6.769 -23.251 70 HB2 ASP 9 HB2 ASP 9 -17.833 7.842 -22.712 71 HB3 ASP 9 HB1 ASP 9 -16.652 8.953 -22.019 72 H MET 10 HN MET 10 -13.357 7.173 -22.316 73 HA MET 10 HA MET 10 -13.213 7.362 -19.409 74 HB2 MET 10 HB2 MET 10 -11.077 7.179 -21.540 75 HB3 MET 10 HB1 MET 10 -10.745 7.281 -19.811 76 HG2 MET 10 HG2 MET 10 -12.691 5.257 -20.096 77 HG3 MET 10 HG1 MET 10 -11.509 4.972 -21.374 78 HE1 MET 10 HE1 MET 10 -10.899 2.915 -20.657 79 HE2 MET 10 HE2 MET 10 -9.672 2.551 -19.446 80 HE3 MET 10 HE3 MET 10 -9.261 3.557 -20.833 81 H THR 11 HN THR 11 -13.335 9.256 -18.440 82 HA THR 11 HA THR 11 -12.391 11.664 -19.871 83 HB THR 11 HB THR 11 -14.802 11.633 -19.210 84 HG1 THR 11 HG1 THR 11 -14.668 13.694 -18.731 85 HG21 THR 11 HG21 THR 11 -13.975 10.379 -16.964 86 HG22 THR 11 HG22 THR 11 -15.494 11.270 -17.061 87 HG23 THR 11 HG23 THR 11 -14.066 12.034 -16.364 88 H CYS 12 HN CYS 12 -12.060 9.668 -17.060 89 HA CYS 12 HA CYS 12 -10.247 11.582 -15.768 90 HB2 CYS 12 HB2 CYS 12 -11.883 9.291 -14.869 91 HB3 CYS 12 HB1 CYS 12 -10.312 9.466 -14.088 92 HG CYS 12 HG CYS 12 -11.471 11.178 -12.713 93 H GLY 13 HN GLY 13 -9.536 10.216 -18.250 94 HA2 GLY 13 HA2 GLY 13 -8.059 8.119 -18.544 95 HA3 GLY 13 HA1 GLY 13 -7.291 9.669 -18.875 96 H GLY 14 HN GLY 14 -6.886 10.727 -16.417 97 HA2 GLY 14 HA2 GLY 14 -4.591 9.360 -15.479 98 HA3 GLY 14 HA1 GLY 14 -5.374 10.720 -14.681 99 H CYS 15 HN CYS 15 -7.782 9.864 -13.950 100 HA CYS 15 HA CYS 15 -7.183 7.889 -11.899 101 HB2 CYS 15 HB2 CYS 15 -8.806 10.145 -12.007 102 HB3 CYS 15 HB1 CYS 15 -9.946 8.802 -12.029 103 HG CYS 15 HG CYS 15 -7.728 8.908 -9.832 104 H ALA 16 HN ALA 16 -9.370 8.254 -14.677 105 HA ALA 16 HA ALA 16 -10.860 5.908 -14.390 106 HB1 ALA 16 HB1 ALA 16 -10.851 7.897 -16.207 107 HB2 ALA 16 HB2 ALA 16 -11.633 6.343 -16.497 108 HB3 ALA 16 HB3 ALA 16 -10.020 6.653 -17.140 109 H GLU 17 HN GLU 17 -7.604 6.414 -15.615 110 HA GLU 17 HA GLU 17 -7.224 3.910 -16.858 111 HB2 GLU 17 HB2 GLU 17 -5.609 5.549 -17.345 112 HB3 GLU 17 HB1 GLU 17 -5.349 5.928 -15.642 113 HG2 GLU 17 HG2 GLU 17 -4.122 3.957 -15.263 114 HG3 GLU 17 HG1 GLU 17 -4.761 3.172 -16.706 115 H ALA 18 HN ALA 18 -6.631 5.006 -13.529 116 HA ALA 18 HA ALA 18 -5.547 2.541 -12.606 117 HB1 ALA 18 HB1 ALA 18 -6.850 4.856 -11.160 118 HB2 ALA 18 HB2 ALA 18 -5.125 4.528 -11.325 119 HB3 ALA 18 HB3 ALA 18 -6.132 3.474 -10.331 120 H VAL 19 HN VAL 19 -8.779 3.780 -13.023 121 HA VAL 19 HA VAL 19 -10.175 1.951 -11.378 122 HB VAL 19 HB VAL 19 -10.973 3.561 -13.800 123 HG11 VAL 19 HG11 VAL 19 -12.623 1.663 -12.116 124 HG12 VAL 19 HG12 VAL 19 -12.367 1.595 -13.860 125 HG13 VAL 19 HG13 VAL 19 -13.326 2.900 -13.160 126 HG21 VAL 19 HG21 VAL 19 -11.274 3.762 -10.813 127 HG22 VAL 19 HG22 VAL 19 -12.464 4.532 -11.862 128 HG23 VAL 19 HG23 VAL 19 -10.765 4.998 -11.962 129 H SER 20 HN SER 20 -9.046 1.794 -14.715 130 HA SER 20 HA SER 20 -10.439 -0.465 -15.587 131 HB2 SER 20 HB2 SER 20 -7.765 0.706 -16.301 132 HB3 SER 20 HB1 SER 20 -8.315 -0.794 -17.040 133 HG SER 20 HG SER 20 -10.363 0.753 -17.192 134 H ARG 21 HN ARG 21 -7.462 -0.211 -13.690 135 HA ARG 21 HA ARG 21 -6.797 -2.976 -13.759 136 HB2 ARG 21 HB2 ARG 21 -6.128 -1.049 -11.529 137 HB3 ARG 21 HB1 ARG 21 -5.224 -2.476 -12.038 138 HG2 ARG 21 HG2 ARG 21 -5.064 -1.265 -14.340 139 HG3 ARG 21 HG1 ARG 21 -5.480 0.185 -13.423 140 HD2 ARG 21 HD2 ARG 21 -2.988 -1.415 -13.401 141 HD3 ARG 21 HD1 ARG 21 -3.221 0.307 -13.113 142 HE ARG 21 HE ARG 21 -4.208 -1.452 -11.010 143 HH11 ARG 21 HH21 ARG 21 -1.633 0.479 -12.282 144 HH12 ARG 21 HH22 ARG 21 -0.840 0.676 -10.754 145 HH21 ARG 21 HH11 ARG 21 -3.168 -1.200 -9.004 146 HH22 ARG 21 HH12 ARG 21 -1.706 -0.277 -8.902 147 H VAL 22 HN VAL 22 -8.711 -0.976 -11.579 148 HA VAL 22 HA VAL 22 -9.192 -2.831 -9.538 149 HB VAL 22 HB VAL 22 -10.860 -0.539 -10.583 150 HG11 VAL 22 HG11 VAL 22 -12.477 -1.821 -9.483 151 HG12 VAL 22 HG12 VAL 22 -11.863 -0.813 -8.173 152 HG13 VAL 22 HG13 VAL 22 -11.314 -2.482 -8.334 153 HG21 VAL 22 HG21 VAL 22 -8.574 -0.849 -8.795 154 HG22 VAL 22 HG22 VAL 22 -9.928 -0.054 -7.994 155 HG23 VAL 22 HG23 VAL 22 -9.262 0.623 -9.479 156 H LEU 23 HN LEU 23 -10.372 -2.764 -12.775 157 HA LEU 23 HA LEU 23 -12.866 -4.006 -12.501 158 HB2 LEU 23 HB2 LEU 23 -11.333 -3.161 -14.610 159 HB3 LEU 23 HB1 LEU 23 -11.298 -4.913 -14.810 160 HG LEU 23 HG LEU 23 -13.807 -3.251 -14.451 161 HD11 LEU 23 HD11 LEU 23 -12.256 -3.410 -16.709 162 HD12 LEU 23 HD12 LEU 23 -13.996 -3.118 -16.709 163 HD13 LEU 23 HD13 LEU 23 -13.377 -4.752 -16.947 164 HD21 LEU 23 HD21 LEU 23 -14.907 -5.407 -15.150 165 HD22 LEU 23 HD22 LEU 23 -14.117 -5.488 -13.576 166 HD23 LEU 23 HD23 LEU 23 -13.338 -6.197 -14.991 167 H ASN 24 HN ASN 24 -9.618 -5.376 -12.496 168 HA ASN 24 HA ASN 24 -10.283 -8.084 -12.810 169 HB2 ASN 24 HB2 ASN 24 -8.104 -8.541 -12.158 170 HB3 ASN 24 HB1 ASN 24 -7.963 -6.871 -12.698 171 HD21 ASN 24 HD21 ASN 24 -7.368 -5.294 -11.143 172 HD22 ASN 24 HD22 ASN 24 -7.118 -5.648 -9.502 173 H LYS 25 HN LYS 25 -10.480 -5.954 -10.042 174 HA LYS 25 HA LYS 25 -10.711 -7.931 -8.023 175 HB2 LYS 25 HB2 LYS 25 -10.193 -5.651 -7.429 176 HB3 LYS 25 HB1 LYS 25 -11.698 -5.075 -8.147 177 HG2 LYS 25 HG2 LYS 25 -12.937 -5.698 -6.347 178 HG3 LYS 25 HG1 LYS 25 -12.051 -7.209 -6.143 179 HD2 LYS 25 HD2 LYS 25 -10.224 -6.055 -5.039 180 HD3 LYS 25 HD1 LYS 25 -10.963 -4.488 -5.371 181 HE2 LYS 25 HE2 LYS 25 -12.421 -4.676 -3.641 182 HE3 LYS 25 HE1 LYS 25 -12.746 -6.374 -3.985 183 HZ1 LYS 25 HZ1 LYS 25 -11.411 -6.924 -2.330 184 HZ2 LYS 25 HZ2 LYS 25 -11.079 -5.288 -2.014 185 HZ3 LYS 25 HZ3 LYS 25 -10.107 -6.160 -3.100 186 H LEU 26 HN LEU 26 -13.156 -6.166 -9.917 187 HA LEU 26 HA LEU 26 -15.358 -7.510 -8.638 188 HB2 LEU 26 HB2 LEU 26 -15.066 -5.204 -10.132 189 HB3 LEU 26 HB1 LEU 26 -15.911 -6.291 -11.232 190 HG LEU 26 HG LEU 26 -17.567 -5.099 -9.928 191 HD11 LEU 26 HD11 LEU 26 -17.597 -7.661 -8.437 192 HD12 LEU 26 HD12 LEU 26 -17.479 -7.803 -10.190 193 HD13 LEU 26 HD13 LEU 26 -18.837 -6.944 -9.465 194 HD21 LEU 26 HD21 LEU 26 -17.333 -4.616 -7.713 195 HD22 LEU 26 HD22 LEU 26 -15.641 -5.044 -7.966 196 HD23 LEU 26 HD23 LEU 26 -16.767 -6.242 -7.328 197 H GLY 27 HN GLY 27 -13.627 -7.805 -11.715 198 HA2 GLY 27 HA2 GLY 27 -15.310 -10.094 -12.462 199 HA3 GLY 27 HA1 GLY 27 -14.177 -9.255 -13.515 200 H GLY 28 HN GLY 28 -11.812 -9.326 -12.415 201 HA2 GLY 28 HA2 GLY 28 -10.002 -10.628 -11.799 202 HA3 GLY 28 HA1 GLY 28 -11.135 -11.762 -11.066 203 H VAL 29 HN VAL 29 -11.319 -10.709 -14.395 204 HA VAL 29 HA VAL 29 -10.304 -13.321 -15.315 205 HB VAL 29 HB VAL 29 -12.567 -12.269 -16.852 206 HG11 VAL 29 HG11 VAL 29 -11.363 -14.511 -17.069 207 HG12 VAL 29 HG12 VAL 29 -13.121 -14.595 -16.984 208 HG13 VAL 29 HG13 VAL 29 -12.152 -14.974 -15.562 209 HG21 VAL 29 HG21 VAL 29 -12.903 -13.181 -13.982 210 HG22 VAL 29 HG22 VAL 29 -14.220 -13.166 -15.155 211 HG23 VAL 29 HG23 VAL 29 -13.438 -11.656 -14.687 212 H LYS 30 HN LYS 30 -10.516 -13.146 -17.910 213 HA LYS 30 HA LYS 30 -8.422 -11.570 -18.770 214 HB2 LYS 30 HB2 LYS 30 -10.012 -13.437 -19.952 215 HB3 LYS 30 HB1 LYS 30 -10.530 -11.973 -20.789 216 HG2 LYS 30 HG2 LYS 30 -8.095 -11.441 -21.193 217 HG3 LYS 30 HG1 LYS 30 -7.704 -13.038 -20.554 218 HD2 LYS 30 HD2 LYS 30 -9.585 -13.753 -22.340 219 HD3 LYS 30 HD1 LYS 30 -8.992 -12.292 -23.131 220 HE2 LYS 30 HE2 LYS 30 -7.625 -14.058 -23.964 221 HE3 LYS 30 HE1 LYS 30 -6.637 -13.229 -22.761 222 HZ1 LYS 30 HZ1 LYS 30 -6.411 -15.461 -22.230 223 HZ2 LYS 30 HZ2 LYS 30 -8.047 -15.811 -22.528 224 HZ3 LYS 30 HZ3 LYS 30 -7.602 -14.931 -21.144 225 H TYR 31 HN TYR 31 -8.143 -9.501 -19.238 226 HA TYR 31 HA TYR 31 -10.431 -7.816 -19.938 227 HB2 TYR 31 HB2 TYR 31 -10.290 -6.373 -18.157 228 HB3 TYR 31 HB1 TYR 31 -9.790 -7.855 -17.344 229 HD1 TYR 31 HD2 TYR 31 -7.118 -8.378 -17.900 230 HD2 TYR 31 HD1 TYR 31 -8.991 -4.522 -17.617 231 HE1 TYR 31 HE2 TYR 31 -4.922 -7.350 -17.378 232 HE2 TYR 31 HE1 TYR 31 -6.795 -3.494 -17.096 233 HH TYR 31 HH TYR 31 -4.584 -4.290 -16.094 234 H ASP 32 HN ASP 32 -9.836 -5.863 -20.987 235 HA ASP 32 HA ASP 32 -7.060 -5.253 -21.490 236 HB2 ASP 32 HB2 ASP 32 -8.712 -6.075 -23.878 237 HB3 ASP 32 HB1 ASP 32 -6.981 -5.748 -23.810 238 H ILE 33 HN ILE 33 -6.839 -3.135 -21.968 239 HA ILE 33 HA ILE 33 -9.301 -1.651 -22.666 240 HB ILE 33 HB ILE 33 -7.335 0.069 -21.500 241 HG12 ILE 33 HG12 ILE 33 -6.503 -2.114 -20.523 242 HG13 ILE 33 HG11 ILE 33 -7.031 -0.932 -19.324 243 HG21 ILE 33 HG21 ILE 33 -9.716 0.520 -21.461 244 HG22 ILE 33 HG22 ILE 33 -9.166 0.337 -19.796 245 HG23 ILE 33 HG23 ILE 33 -10.029 -0.981 -20.588 246 HD11 ILE 33 HD11 ILE 33 -7.900 -3.541 -19.438 247 HD12 ILE 33 HD12 ILE 33 -9.187 -2.687 -20.288 248 HD13 ILE 33 HD13 ILE 33 -8.763 -2.227 -18.640 249 H ASP 34 HN ASP 34 -9.273 -0.518 -24.496 250 HA ASP 34 HA ASP 34 -6.671 -0.099 -25.836 251 HB2 ASP 34 HB2 ASP 34 -9.454 -0.393 -26.985 252 HB3 ASP 34 HB1 ASP 34 -8.030 0.032 -27.933 253 H LEU 35 HN LEU 35 -6.070 1.906 -25.175 254 HA LEU 35 HA LEU 35 -7.770 4.081 -24.660 255 HB2 LEU 35 HB2 LEU 35 -5.057 3.577 -24.450 256 HB3 LEU 35 HB1 LEU 35 -5.140 4.845 -25.673 257 HG LEU 35 HG LEU 35 -6.825 5.966 -24.000 258 HD11 LEU 35 HD11 LEU 35 -6.155 5.449 -21.629 259 HD12 LEU 35 HD12 LEU 35 -5.255 4.061 -22.239 260 HD13 LEU 35 HD13 LEU 35 -7.008 4.128 -22.429 261 HD21 LEU 35 HD21 LEU 35 -4.743 6.877 -22.729 262 HD22 LEU 35 HD22 LEU 35 -4.818 7.109 -24.476 263 HD23 LEU 35 HD23 LEU 35 -3.819 5.822 -23.800 264 HA PRO 36 HA PRO 36 -6.505 5.439 -29.224 265 HB2 PRO 36 HB2 PRO 36 -6.588 2.727 -30.442 266 HB3 PRO 36 HB1 PRO 36 -5.484 4.077 -30.764 267 HG2 PRO 36 HG2 PRO 36 -4.707 1.928 -29.391 268 HG3 PRO 36 HG1 PRO 36 -4.112 3.552 -29.005 269 HD2 PRO 36 HD2 PRO 36 -6.132 1.891 -27.552 270 HD3 PRO 36 HD1 PRO 36 -4.945 3.048 -26.907 271 H ASN 37 HN ASN 37 -8.646 2.745 -28.449 272 HA ASN 37 HA ASN 37 -10.650 3.817 -30.328 273 HB2 ASN 37 HB2 ASN 37 -9.811 1.178 -29.746 274 HB3 ASN 37 HB1 ASN 37 -11.456 1.334 -29.135 275 HD21 ASN 37 HD21 ASN 37 -9.472 1.728 -32.088 276 HD22 ASN 37 HD22 ASN 37 -10.775 1.595 -33.168 277 H LYS 38 HN LYS 38 -9.839 3.823 -27.074 278 HA LYS 38 HA LYS 38 -10.958 4.435 -25.163 279 HB2 LYS 38 HB2 LYS 38 -13.178 5.534 -26.852 280 HB3 LYS 38 HB1 LYS 38 -12.464 6.193 -25.379 281 HG2 LYS 38 HG2 LYS 38 -10.286 6.362 -26.830 282 HG3 LYS 38 HG1 LYS 38 -11.407 6.276 -28.191 283 HD2 LYS 38 HD2 LYS 38 -12.543 8.250 -27.520 284 HD3 LYS 38 HD1 LYS 38 -11.809 8.221 -25.917 285 HE2 LYS 38 HE2 LYS 38 -10.766 9.921 -27.417 286 HE3 LYS 38 HE1 LYS 38 -9.615 8.701 -26.870 287 HZ1 LYS 38 HZ1 LYS 38 -11.066 8.183 -29.352 288 HZ2 LYS 38 HZ2 LYS 38 -9.474 7.774 -28.917 289 HZ3 LYS 38 HZ3 LYS 38 -9.846 9.362 -29.395 290 H LYS 39 HN LYS 39 -11.426 1.808 -26.116 291 HA LYS 39 HA LYS 39 -14.171 1.388 -25.110 292 HB2 LYS 39 HB2 LYS 39 -14.572 -0.327 -26.699 293 HB3 LYS 39 HB1 LYS 39 -13.884 1.007 -27.625 294 HG2 LYS 39 HG2 LYS 39 -11.642 -0.060 -27.447 295 HG3 LYS 39 HG1 LYS 39 -12.379 -1.420 -26.599 296 HD2 LYS 39 HD2 LYS 39 -13.953 -1.585 -28.651 297 HD3 LYS 39 HD1 LYS 39 -12.764 -0.569 -29.467 298 HE2 LYS 39 HE2 LYS 39 -11.041 -2.322 -28.534 299 HE3 LYS 39 HE1 LYS 39 -12.457 -3.365 -28.409 300 HZ1 LYS 39 HZ1 LYS 39 -11.342 -2.084 -30.834 301 HZ2 LYS 39 HZ2 LYS 39 -12.913 -2.732 -30.790 302 HZ3 LYS 39 HZ3 LYS 39 -11.569 -3.738 -30.533 303 H VAL 40 HN VAL 40 -14.472 -0.876 -24.277 304 HA VAL 40 HA VAL 40 -11.978 -2.047 -23.245 305 HB VAL 40 HB VAL 40 -14.382 -1.575 -21.481 306 HG11 VAL 40 HG11 VAL 40 -12.016 -1.771 -20.003 307 HG12 VAL 40 HG12 VAL 40 -11.844 -2.990 -21.266 308 HG13 VAL 40 HG13 VAL 40 -13.239 -3.029 -20.187 309 HG21 VAL 40 HG21 VAL 40 -12.078 0.186 -22.185 310 HG22 VAL 40 HG22 VAL 40 -12.541 0.112 -20.485 311 HG23 VAL 40 HG23 VAL 40 -13.716 0.621 -21.698 312 H CYS 41 HN CYS 41 -11.952 -4.137 -23.711 313 HA CYS 41 HA CYS 41 -14.531 -5.573 -23.915 314 HB2 CYS 41 HB2 CYS 41 -12.091 -5.588 -25.590 315 HB3 CYS 41 HB1 CYS 41 -12.815 -7.163 -25.272 316 HG CYS 41 HG CYS 41 -14.755 -4.960 -26.251 317 H ILE 42 HN ILE 42 -14.837 -6.827 -22.202 318 HA ILE 42 HA ILE 42 -12.506 -8.255 -21.071 319 HB ILE 42 HB ILE 42 -13.325 -6.380 -19.628 320 HG12 ILE 42 HG12 ILE 42 -13.400 -9.265 -18.777 321 HG13 ILE 42 HG11 ILE 42 -12.190 -8.035 -18.413 322 HG21 ILE 42 HG21 ILE 42 -15.486 -6.553 -18.574 323 HG22 ILE 42 HG22 ILE 42 -15.772 -8.132 -19.302 324 HG23 ILE 42 HG23 ILE 42 -15.738 -6.688 -20.313 325 HD11 ILE 42 HD11 ILE 42 -13.300 -8.083 -16.386 326 HD12 ILE 42 HD12 ILE 42 -14.840 -8.530 -17.122 327 HD13 ILE 42 HD13 ILE 42 -14.267 -6.865 -17.217 328 H GLU 43 HN GLU 43 -12.736 -10.379 -20.689 329 HA GLU 43 HA GLU 43 -15.372 -11.584 -21.272 330 HB2 GLU 43 HB2 GLU 43 -13.797 -12.474 -22.809 331 HB3 GLU 43 HB1 GLU 43 -12.546 -12.605 -21.573 332 HG2 GLU 43 HG2 GLU 43 -13.728 -14.387 -20.458 333 HG3 GLU 43 HG1 GLU 43 -15.138 -14.166 -21.493 334 H SER 44 HN SER 44 -16.432 -12.115 -19.453 335 HA SER 44 HA SER 44 -14.897 -13.347 -17.266 336 HB2 SER 44 HB2 SER 44 -16.384 -12.025 -15.668 337 HB3 SER 44 HB1 SER 44 -15.103 -11.127 -16.479 338 HG SER 44 HG SER 44 -16.716 -10.543 -18.058 339 H GLU 45 HN GLU 45 -16.300 -14.421 -15.674 340 HA GLU 45 HA GLU 45 -18.126 -16.170 -16.968 341 HB2 GLU 45 HB2 GLU 45 -17.783 -15.761 -13.996 342 HB3 GLU 45 HB1 GLU 45 -18.335 -17.213 -14.828 343 HG2 GLU 45 HG2 GLU 45 -15.729 -16.293 -15.797 344 HG3 GLU 45 HG1 GLU 45 -15.715 -16.681 -14.079 345 H HIS 46 HN HIS 46 -18.495 -13.293 -14.962 346 HA HIS 46 HA HIS 46 -21.384 -13.628 -14.812 347 HB2 HIS 46 HB2 HIS 46 -20.246 -11.053 -13.974 348 HB3 HIS 46 HB1 HIS 46 -21.301 -12.159 -13.096 349 HD1 HIS 46 HD1 HIS 46 -17.669 -12.211 -14.299 350 HD2 HIS 46 HD2 HIS 46 -19.955 -13.321 -10.994 351 HE1 HIS 46 HE1 HIS 46 -16.054 -13.168 -12.600 352 H SER 47 HN SER 47 -19.316 -10.911 -15.802 353 HA SER 47 HA SER 47 -19.524 -9.366 -17.488 354 HB2 SER 47 HB2 SER 47 -21.150 -10.459 -19.417 355 HB3 SER 47 HB1 SER 47 -19.407 -10.687 -19.311 356 HG SER 47 HG SER 47 -19.876 -12.708 -19.022 357 H MET 48 HN MET 48 -20.710 -7.580 -17.411 358 HA MET 48 HA MET 48 -22.610 -6.244 -17.624 359 HB2 MET 48 HB2 MET 48 -23.639 -8.505 -18.594 360 HB3 MET 48 HB1 MET 48 -24.484 -8.488 -17.045 361 HG2 MET 48 HG2 MET 48 -25.021 -6.010 -17.607 362 HG3 MET 48 HG1 MET 48 -24.577 -6.442 -19.258 363 HE1 MET 48 HE1 MET 48 -27.740 -5.681 -17.636 364 HE2 MET 48 HE2 MET 48 -28.447 -6.190 -19.168 365 HE3 MET 48 HE3 MET 48 -26.944 -5.272 -19.161 366 H ASP 49 HN ASP 49 -21.131 -6.544 -15.310 367 HA ASP 49 HA ASP 49 -22.929 -5.564 -13.350 368 HB2 ASP 49 HB2 ASP 49 -23.670 -7.758 -12.919 369 HB3 ASP 49 HB1 ASP 49 -22.052 -8.433 -13.101 370 H THR 50 HN THR 50 -19.845 -7.104 -14.034 371 HA THR 50 HA THR 50 -18.478 -5.871 -11.814 372 HB THR 50 HB THR 50 -17.391 -7.821 -12.378 373 HG1 THR 50 HG1 THR 50 -16.111 -6.208 -14.293 374 HG21 THR 50 HG21 THR 50 -18.257 -7.161 -15.184 375 HG22 THR 50 HG22 THR 50 -18.601 -8.604 -14.227 376 HG23 THR 50 HG23 THR 50 -16.991 -8.357 -14.901 377 H LEU 51 HN LEU 51 -18.895 -5.251 -15.242 378 HA LEU 51 HA LEU 51 -16.902 -3.285 -15.556 379 HB2 LEU 51 HB2 LEU 51 -19.483 -3.401 -17.099 380 HB3 LEU 51 HB1 LEU 51 -17.899 -2.859 -17.652 381 HG LEU 51 HG LEU 51 -17.363 -5.420 -16.793 382 HD11 LEU 51 HD11 LEU 51 -19.090 -6.880 -17.337 383 HD12 LEU 51 HD12 LEU 51 -19.866 -5.723 -18.419 384 HD13 LEU 51 HD13 LEU 51 -20.004 -5.524 -16.673 385 HD21 LEU 51 HD21 LEU 51 -18.065 -4.255 -19.482 386 HD22 LEU 51 HD22 LEU 51 -17.544 -5.930 -19.322 387 HD23 LEU 51 HD23 LEU 51 -16.468 -4.619 -18.834 388 H LEU 52 HN LEU 52 -20.414 -2.906 -15.013 389 HA LEU 52 HA LEU 52 -20.504 -0.132 -15.056 390 HB2 LEU 52 HB2 LEU 52 -22.455 -0.604 -13.303 391 HB3 LEU 52 HB1 LEU 52 -22.620 -0.993 -15.013 392 HG LEU 52 HG LEU 52 -21.397 -3.038 -13.196 393 HD11 LEU 52 HD11 LEU 52 -23.237 -3.000 -11.865 394 HD12 LEU 52 HD12 LEU 52 -24.077 -3.715 -13.241 395 HD13 LEU 52 HD13 LEU 52 -24.131 -1.973 -12.986 396 HD21 LEU 52 HD21 LEU 52 -21.739 -4.373 -14.989 397 HD22 LEU 52 HD22 LEU 52 -22.153 -2.917 -15.892 398 HD23 LEU 52 HD23 LEU 52 -23.423 -3.870 -15.125 399 H ALA 53 HN ALA 53 -20.158 -2.213 -12.159 400 HA ALA 53 HA ALA 53 -19.918 -0.082 -10.328 401 HB1 ALA 53 HB1 ALA 53 -20.355 -2.521 -9.788 402 HB2 ALA 53 HB2 ALA 53 -19.182 -1.713 -8.747 403 HB3 ALA 53 HB3 ALA 53 -18.628 -2.796 -10.024 404 H THR 54 HN THR 54 -17.423 -1.989 -11.991 405 HA THR 54 HA THR 54 -15.216 -0.644 -10.820 406 HB THR 54 HB THR 54 -13.938 -1.731 -12.650 407 HG1 THR 54 HG1 THR 54 -15.828 -3.251 -13.656 408 HG21 THR 54 HG21 THR 54 -15.023 -4.111 -12.105 409 HG22 THR 54 HG22 THR 54 -15.878 -3.154 -10.895 410 HG23 THR 54 HG23 THR 54 -14.116 -3.206 -10.893 411 H LEU 55 HN LEU 55 -16.739 -0.344 -14.037 412 HA LEU 55 HA LEU 55 -15.060 1.712 -14.969 413 HB2 LEU 55 HB2 LEU 55 -17.872 0.930 -15.747 414 HB3 LEU 55 HB1 LEU 55 -16.891 2.098 -16.629 415 HG LEU 55 HG LEU 55 -16.111 -0.779 -16.091 416 HD11 LEU 55 HD11 LEU 55 -16.482 -1.116 -18.484 417 HD12 LEU 55 HD12 LEU 55 -16.925 0.579 -18.680 418 HD13 LEU 55 HD13 LEU 55 -17.960 -0.501 -17.746 419 HD21 LEU 55 HD21 LEU 55 -14.723 1.596 -17.246 420 HD22 LEU 55 HD22 LEU 55 -14.451 0.042 -18.033 421 HD23 LEU 55 HD23 LEU 55 -14.058 0.246 -16.326 422 H LYS 56 HN LYS 56 -18.251 1.866 -13.385 423 HA LYS 56 HA LYS 56 -18.581 4.654 -13.596 424 HB2 LYS 56 HB2 LYS 56 -19.685 2.619 -11.660 425 HB3 LYS 56 HB1 LYS 56 -20.130 4.324 -11.593 426 HG2 LYS 56 HG2 LYS 56 -20.466 2.505 -13.997 427 HG3 LYS 56 HG1 LYS 56 -21.761 3.052 -12.931 428 HD2 LYS 56 HD2 LYS 56 -20.672 5.440 -13.576 429 HD3 LYS 56 HD1 LYS 56 -20.288 4.536 -15.040 430 HE2 LYS 56 HE2 LYS 56 -22.795 3.765 -14.891 431 HE3 LYS 56 HE1 LYS 56 -22.980 5.200 -13.883 432 HZ1 LYS 56 HZ1 LYS 56 -23.307 5.416 -16.406 433 HZ2 LYS 56 HZ2 LYS 56 -21.611 5.367 -16.489 434 HZ3 LYS 56 HZ3 LYS 56 -22.385 6.595 -15.608 435 H LYS 57 HN LYS 57 -16.580 2.754 -11.497 436 HA LYS 57 HA LYS 57 -16.245 4.045 -9.190 437 HB2 LYS 57 HB2 LYS 57 -14.170 3.095 -11.141 438 HB3 LYS 57 HB1 LYS 57 -13.701 3.829 -9.615 439 HG2 LYS 57 HG2 LYS 57 -15.815 1.763 -9.436 440 HG3 LYS 57 HG1 LYS 57 -14.211 1.181 -9.884 441 HD2 LYS 57 HD2 LYS 57 -13.229 2.197 -7.911 442 HD3 LYS 57 HD1 LYS 57 -14.765 2.958 -7.493 443 HE2 LYS 57 HE2 LYS 57 -15.732 0.958 -6.817 444 HE3 LYS 57 HE1 LYS 57 -14.680 -0.018 -7.842 445 HZ1 LYS 57 HZ1 LYS 57 -14.351 0.562 -5.152 446 HZ2 LYS 57 HZ2 LYS 57 -13.132 1.417 -5.971 447 HZ3 LYS 57 HZ3 LYS 57 -13.274 -0.264 -6.170 448 H THR 58 HN THR 58 -14.831 5.257 -12.246 449 HA THR 58 HA THR 58 -14.078 7.757 -10.980 450 HB THR 58 HB THR 58 -13.842 7.961 -13.792 451 HG1 THR 58 HG1 THR 58 -12.391 5.789 -13.442 452 HG21 THR 58 HG21 THR 58 -12.240 8.907 -12.268 453 HG22 THR 58 HG22 THR 58 -11.395 7.689 -13.223 454 HG23 THR 58 HG23 THR 58 -11.890 7.325 -11.570 455 H GLY 59 HN GLY 59 -16.828 6.498 -12.561 456 HA2 GLY 59 HA2 GLY 59 -18.905 7.673 -12.581 457 HA3 GLY 59 HA1 GLY 59 -18.013 9.190 -12.636 458 H ALA 60 HN ALA 60 -16.812 6.744 -14.698 459 HA ALA 60 HA ALA 60 -17.437 8.281 -17.045 460 HB1 ALA 60 HB1 ALA 60 -16.138 5.575 -16.671 461 HB2 ALA 60 HB2 ALA 60 -15.329 7.113 -16.974 462 HB3 ALA 60 HB3 ALA 60 -16.314 6.371 -18.234 463 H THR 61 HN THR 61 -19.036 7.994 -18.489 464 HA THR 61 HA THR 61 -21.334 6.520 -17.851 465 HB THR 61 HB THR 61 -21.096 6.959 -20.702 466 HG1 THR 61 HG1 THR 61 -20.974 9.374 -20.140 467 HG21 THR 61 HG21 THR 61 -23.003 8.474 -20.230 468 HG22 THR 61 HG22 THR 61 -22.699 8.295 -18.501 469 HG23 THR 61 HG23 THR 61 -23.209 6.903 -19.456 470 H VAL 62 HN VAL 62 -22.030 4.512 -18.312 471 HA VAL 62 HA VAL 62 -20.222 2.772 -19.881 472 HB VAL 62 HB VAL 62 -20.675 2.373 -17.315 473 HG11 VAL 62 HG11 VAL 62 -23.228 2.452 -17.911 474 HG12 VAL 62 HG12 VAL 62 -22.652 1.243 -16.765 475 HG13 VAL 62 HG13 VAL 62 -22.972 0.789 -18.439 476 HG21 VAL 62 HG21 VAL 62 -20.262 0.029 -17.670 477 HG22 VAL 62 HG22 VAL 62 -19.474 0.887 -18.994 478 HG23 VAL 62 HG23 VAL 62 -21.018 0.078 -19.264 479 H SER 63 HN SER 63 -21.153 1.318 -21.349 480 HA SER 63 HA SER 63 -24.052 1.579 -21.803 481 HB2 SER 63 HB2 SER 63 -21.840 2.185 -23.732 482 HB3 SER 63 HB1 SER 63 -23.368 1.546 -24.331 483 HG SER 63 HG SER 63 -24.338 3.283 -23.009 484 H TYR 64 HN TYR 64 -24.901 -0.390 -21.741 485 HA TYR 64 HA TYR 64 -23.285 -2.754 -22.105 486 HB2 TYR 64 HB2 TYR 64 -24.980 -2.923 -20.450 487 HB3 TYR 64 HB1 TYR 64 -26.213 -2.290 -21.542 488 HD1 TYR 64 HD2 TYR 64 -23.622 -5.013 -21.697 489 HD2 TYR 64 HD1 TYR 64 -27.729 -3.891 -22.263 490 HE1 TYR 64 HE2 TYR 64 -24.149 -7.319 -22.445 491 HE2 TYR 64 HE1 TYR 64 -28.256 -6.196 -23.010 492 HH TYR 64 HH TYR 64 -26.582 -8.749 -22.412 493 H LEU 65 HN LEU 65 -22.655 -3.210 -24.135 494 HA LEU 65 HA LEU 65 -24.303 -2.610 -26.427 495 HB2 LEU 65 HB2 LEU 65 -21.878 -4.374 -26.531 496 HB3 LEU 65 HB1 LEU 65 -22.464 -3.213 -27.723 497 HG LEU 65 HG LEU 65 -21.185 -2.592 -25.048 498 HD11 LEU 65 HD11 LEU 65 -20.006 -3.116 -27.459 499 HD12 LEU 65 HD12 LEU 65 -19.311 -2.058 -26.230 500 HD13 LEU 65 HD13 LEU 65 -20.235 -1.370 -27.567 501 HD21 LEU 65 HD21 LEU 65 -22.723 -0.868 -25.158 502 HD22 LEU 65 HD22 LEU 65 -22.860 -0.965 -26.913 503 HD23 LEU 65 HD23 LEU 65 -21.460 -0.182 -26.179 504 H GLY 66 HN GLY 66 -23.077 -5.616 -24.938 505 HA2 GLY 66 HA2 GLY 66 -25.341 -7.139 -25.033 506 HA3 GLY 66 HA1 GLY 66 -24.680 -7.282 -26.657 507 H LEU 67 HN LEU 67 -24.667 -9.607 -25.784 508 HA LEU 67 HA LEU 67 -22.061 -10.114 -24.483 509 HB2 LEU 67 HB2 LEU 67 -24.198 -10.717 -23.179 510 HB3 LEU 67 HB1 LEU 67 -24.400 -12.009 -24.361 511 HG LEU 67 HG LEU 67 -21.809 -11.610 -22.859 512 HD11 LEU 67 HD11 LEU 67 -24.375 -12.810 -21.961 513 HD12 LEU 67 HD12 LEU 67 -23.070 -12.101 -21.010 514 HD13 LEU 67 HD13 LEU 67 -22.917 -13.746 -21.629 515 HD21 LEU 67 HD21 LEU 67 -22.275 -14.308 -23.428 516 HD22 LEU 67 HD22 LEU 67 -21.196 -13.232 -24.312 517 HD23 LEU 67 HD23 LEU 67 -22.855 -13.460 -24.861 518 H GLU 68 HN GLU 68 -20.648 -11.294 -25.616 519 HA GLU 68 HA GLU 68 -21.660 -12.825 -27.938 520 HB2 GLU 68 HB2 GLU 68 -20.457 -10.753 -28.611 521 HB3 GLU 68 HB1 GLU 68 -19.029 -11.339 -27.759 522 HG2 GLU 68 HG2 GLU 68 -20.157 -13.339 -29.572 523 HG3 GLU 68 HG1 GLU 68 -19.654 -11.871 -30.409 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -16.844 -19.567 -21.800 2 H2 MET 1 HT2 MET 1 -15.302 -20.248 -21.580 3 H3 MET 1 HT3 MET 1 -15.758 -19.642 -23.101 4 HA MET 1 HA MET 1 -15.458 -18.004 -20.645 5 HB2 MET 1 HB2 MET 1 -13.604 -17.321 -22.705 6 HB3 MET 1 HB1 MET 1 -13.254 -17.955 -21.097 7 HG2 MET 1 HG2 MET 1 -13.552 -20.253 -21.923 8 HG3 MET 1 HG1 MET 1 -13.932 -19.634 -23.530 9 HE1 MET 1 HE1 MET 1 -11.715 -21.748 -22.619 10 HE2 MET 1 HE2 MET 1 -11.320 -20.861 -21.149 11 HE3 MET 1 HE3 MET 1 -10.080 -21.121 -22.373 12 HA PRO 2 HA PRO 2 -18.395 -16.071 -23.698 13 HB2 PRO 2 HB2 PRO 2 -19.103 -14.679 -21.164 14 HB3 PRO 2 HB1 PRO 2 -20.162 -15.414 -22.382 15 HG2 PRO 2 HG2 PRO 2 -19.719 -16.569 -20.015 16 HG3 PRO 2 HG1 PRO 2 -19.947 -17.516 -21.495 17 HD2 PRO 2 HD2 PRO 2 -17.432 -16.971 -19.978 18 HD3 PRO 2 HD1 PRO 2 -17.887 -18.395 -20.941 19 H LYS 3 HN LYS 3 -18.380 -13.951 -24.539 20 HA LYS 3 HA LYS 3 -16.216 -12.218 -23.507 21 HB2 LYS 3 HB2 LYS 3 -17.246 -12.535 -26.336 22 HB3 LYS 3 HB1 LYS 3 -16.023 -11.369 -25.830 23 HG2 LYS 3 HG2 LYS 3 -14.558 -13.187 -25.087 24 HG3 LYS 3 HG1 LYS 3 -15.789 -14.376 -25.513 25 HD2 LYS 3 HD2 LYS 3 -15.680 -13.578 -27.879 26 HD3 LYS 3 HD1 LYS 3 -14.358 -12.503 -27.421 27 HE2 LYS 3 HE2 LYS 3 -13.703 -14.783 -28.414 28 HE3 LYS 3 HE1 LYS 3 -12.916 -14.318 -26.905 29 HZ1 LYS 3 HZ1 LYS 3 -14.209 -16.640 -27.304 30 HZ2 LYS 3 HZ2 LYS 3 -15.423 -15.707 -26.569 31 HZ3 LYS 3 HZ3 LYS 3 -13.935 -15.942 -25.782 32 H HIS 4 HN HIS 4 -16.830 -10.306 -22.712 33 HA HIS 4 HA HIS 4 -19.493 -9.283 -23.505 34 HB2 HIS 4 HB2 HIS 4 -18.815 -9.996 -21.014 35 HB3 HIS 4 HB1 HIS 4 -18.204 -8.342 -21.000 36 HD1 HIS 4 HD1 HIS 4 -20.848 -8.192 -23.318 37 HD2 HIS 4 HD2 HIS 4 -20.733 -8.451 -19.160 38 HE1 HIS 4 HE1 HIS 4 -23.102 -7.387 -22.488 39 H GLU 5 HN GLU 5 -19.616 -7.297 -24.368 40 HA GLU 5 HA GLU 5 -17.142 -5.674 -24.400 41 HB2 GLU 5 HB2 GLU 5 -19.303 -5.353 -26.448 42 HB3 GLU 5 HB1 GLU 5 -17.572 -5.041 -26.589 43 HG2 GLU 5 HG2 GLU 5 -17.957 -7.038 -27.831 44 HG3 GLU 5 HG1 GLU 5 -17.242 -7.562 -26.308 45 H PHE 6 HN PHE 6 -17.249 -3.722 -23.491 46 HA PHE 6 HA PHE 6 -19.920 -2.539 -23.031 47 HB2 PHE 6 HB2 PHE 6 -17.803 -3.222 -21.119 48 HB3 PHE 6 HB1 PHE 6 -18.332 -1.543 -20.999 49 HD1 PHE 6 HD2 PHE 6 -20.149 -4.707 -21.873 50 HD2 PHE 6 HD1 PHE 6 -19.831 -1.341 -19.226 51 HE1 PHE 6 HE2 PHE 6 -22.206 -5.438 -20.697 52 HE2 PHE 6 HE1 PHE 6 -21.888 -2.071 -18.049 53 HZ PHE 6 HZ PHE 6 -23.077 -4.121 -18.785 54 H SER 7 HN SER 7 -20.128 -0.389 -23.452 55 HA SER 7 HA SER 7 -17.806 0.923 -24.700 56 HB2 SER 7 HB2 SER 7 -20.780 1.378 -24.897 57 HB3 SER 7 HB1 SER 7 -19.611 2.543 -25.510 58 HG SER 7 HG SER 7 -19.824 1.264 -27.210 59 H VAL 8 HN VAL 8 -16.667 2.139 -23.331 60 HA VAL 8 HA VAL 8 -18.156 3.907 -21.490 61 HB VAL 8 HB VAL 8 -17.098 1.934 -20.325 62 HG11 VAL 8 HG11 VAL 8 -14.723 1.771 -20.185 63 HG12 VAL 8 HG12 VAL 8 -14.495 3.350 -20.938 64 HG13 VAL 8 HG13 VAL 8 -15.073 1.989 -21.899 65 HG21 VAL 8 HG21 VAL 8 -17.034 3.326 -18.553 66 HG22 VAL 8 HG22 VAL 8 -17.102 4.691 -19.668 67 HG23 VAL 8 HG23 VAL 8 -15.542 4.060 -19.140 68 H ASP 9 HN ASP 9 -17.691 5.985 -21.771 69 HA ASP 9 HA ASP 9 -15.439 6.759 -23.448 70 HB2 ASP 9 HB2 ASP 9 -17.987 7.845 -22.864 71 HB3 ASP 9 HB1 ASP 9 -16.804 8.988 -22.233 72 H MET 10 HN MET 10 -13.483 6.920 -22.523 73 HA MET 10 HA MET 10 -13.192 7.257 -19.680 74 HB2 MET 10 HB2 MET 10 -11.074 7.308 -21.840 75 HB3 MET 10 HB1 MET 10 -10.805 7.094 -20.109 76 HG2 MET 10 HG2 MET 10 -12.090 5.008 -20.138 77 HG3 MET 10 HG1 MET 10 -12.450 5.233 -21.849 78 HE1 MET 10 HE1 MET 10 -10.141 4.910 -19.129 79 HE2 MET 10 HE2 MET 10 -8.648 5.480 -19.872 80 HE3 MET 10 HE3 MET 10 -8.908 3.752 -19.648 81 H THR 11 HN THR 11 -13.323 9.143 -18.681 82 HA THR 11 HA THR 11 -12.475 11.587 -20.111 83 HB THR 11 HB THR 11 -14.172 11.603 -17.630 84 HG1 THR 11 HG1 THR 11 -14.936 11.095 -20.300 85 HG21 THR 11 HG21 THR 11 -13.032 13.628 -18.896 86 HG22 THR 11 HG22 THR 11 -14.674 13.776 -18.269 87 HG23 THR 11 HG23 THR 11 -14.409 13.442 -19.982 88 H CYS 12 HN CYS 12 -12.071 9.578 -17.316 89 HA CYS 12 HA CYS 12 -10.193 11.472 -16.084 90 HB2 CYS 12 HB2 CYS 12 -11.773 9.136 -15.125 91 HB3 CYS 12 HB1 CYS 12 -10.241 9.482 -14.324 92 HG CYS 12 HG CYS 12 -12.465 11.671 -14.570 93 H GLY 13 HN GLY 13 -9.597 10.026 -18.564 94 HA2 GLY 13 HA2 GLY 13 -8.187 7.897 -18.873 95 HA3 GLY 13 HA1 GLY 13 -7.377 9.417 -19.236 96 H GLY 14 HN GLY 14 -6.797 10.495 -16.855 97 HA2 GLY 14 HA2 GLY 14 -4.574 8.990 -15.945 98 HA3 GLY 14 HA1 GLY 14 -5.220 10.439 -15.178 99 H CYS 15 HN CYS 15 -7.650 9.813 -14.319 100 HA CYS 15 HA CYS 15 -7.130 7.944 -12.171 101 HB2 CYS 15 HB2 CYS 15 -9.865 8.821 -12.260 102 HB3 CYS 15 HB1 CYS 15 -8.610 9.230 -11.091 103 HG CYS 15 HG CYS 15 -8.278 11.418 -12.213 104 H ALA 16 HN ALA 16 -9.399 8.161 -14.912 105 HA ALA 16 HA ALA 16 -10.863 5.826 -14.429 106 HB1 ALA 16 HB1 ALA 16 -11.829 6.333 -16.393 107 HB2 ALA 16 HB2 ALA 16 -10.298 6.219 -17.261 108 HB3 ALA 16 HB3 ALA 16 -10.746 7.722 -16.459 109 H GLU 17 HN GLU 17 -7.664 6.269 -15.816 110 HA GLU 17 HA GLU 17 -7.340 3.702 -16.940 111 HB2 GLU 17 HB2 GLU 17 -5.692 5.199 -17.604 112 HB3 GLU 17 HB1 GLU 17 -5.460 5.827 -15.971 113 HG2 GLU 17 HG2 GLU 17 -4.115 4.056 -15.328 114 HG3 GLU 17 HG1 GLU 17 -4.857 2.941 -16.474 115 H ALA 18 HN ALA 18 -6.566 4.967 -13.707 116 HA ALA 18 HA ALA 18 -5.501 2.514 -12.714 117 HB1 ALA 18 HB1 ALA 18 -5.098 3.702 -10.824 118 HB2 ALA 18 HB2 ALA 18 -6.741 4.338 -10.759 119 HB3 ALA 18 HB3 ALA 18 -5.545 5.093 -11.811 120 H VAL 19 HN VAL 19 -8.684 3.868 -13.003 121 HA VAL 19 HA VAL 19 -10.071 2.270 -11.145 122 HB VAL 19 HB VAL 19 -10.953 3.607 -13.706 123 HG11 VAL 19 HG11 VAL 19 -12.601 1.975 -13.470 124 HG12 VAL 19 HG12 VAL 19 -13.259 3.280 -12.483 125 HG13 VAL 19 HG13 VAL 19 -12.437 1.922 -11.714 126 HG21 VAL 19 HG21 VAL 19 -10.662 5.377 -12.288 127 HG22 VAL 19 HG22 VAL 19 -10.689 4.355 -10.851 128 HG23 VAL 19 HG23 VAL 19 -12.202 4.837 -11.617 129 H SER 20 HN SER 20 -9.093 1.694 -14.486 130 HA SER 20 HA SER 20 -10.642 -0.549 -15.073 131 HB2 SER 20 HB2 SER 20 -8.988 -1.079 -16.746 132 HB3 SER 20 HB1 SER 20 -9.146 0.673 -16.672 133 HG SER 20 HG SER 20 -7.190 -0.873 -15.305 134 H ARG 21 HN ARG 21 -7.705 -0.258 -13.150 135 HA ARG 21 HA ARG 21 -6.983 -2.956 -12.966 136 HB2 ARG 21 HB2 ARG 21 -6.759 -0.693 -10.973 137 HB3 ARG 21 HB1 ARG 21 -6.057 -2.287 -10.700 138 HG2 ARG 21 HG2 ARG 21 -4.641 -2.087 -12.631 139 HG3 ARG 21 HG1 ARG 21 -5.481 -0.633 -13.169 140 HD2 ARG 21 HD2 ARG 21 -3.268 -0.204 -12.022 141 HD3 ARG 21 HD1 ARG 21 -4.641 0.637 -11.309 142 HE ARG 21 HE ARG 21 -3.955 -1.947 -10.129 143 HH11 ARG 21 HH21 ARG 21 -3.751 1.505 -10.082 144 HH12 ARG 21 HH22 ARG 21 -3.320 1.596 -8.406 145 HH21 ARG 21 HH11 ARG 21 -3.390 -1.837 -7.929 146 HH22 ARG 21 HH12 ARG 21 -3.115 -0.296 -7.188 147 H VAL 22 HN VAL 22 -9.368 -1.062 -11.197 148 HA VAL 22 HA VAL 22 -10.114 -2.928 -9.247 149 HB VAL 22 HB VAL 22 -11.844 -0.883 -10.656 150 HG11 VAL 22 HG11 VAL 22 -13.112 -2.577 -9.363 151 HG12 VAL 22 HG12 VAL 22 -13.205 -0.982 -8.616 152 HG13 VAL 22 HG13 VAL 22 -12.132 -2.210 -7.945 153 HG21 VAL 22 HG21 VAL 22 -9.790 -0.746 -8.489 154 HG22 VAL 22 HG22 VAL 22 -11.227 0.264 -8.322 155 HG23 VAL 22 HG23 VAL 22 -10.186 0.437 -9.735 156 H LEU 23 HN LEU 23 -10.656 -2.904 -12.645 157 HA LEU 23 HA LEU 23 -13.044 -4.364 -12.845 158 HB2 LEU 23 HB2 LEU 23 -11.892 -3.240 -14.745 159 HB3 LEU 23 HB1 LEU 23 -10.655 -4.497 -14.697 160 HG LEU 23 HG LEU 23 -12.429 -6.211 -15.057 161 HD11 LEU 23 HD11 LEU 23 -14.124 -3.740 -14.970 162 HD12 LEU 23 HD12 LEU 23 -14.441 -5.337 -14.293 163 HD13 LEU 23 HD13 LEU 23 -14.613 -5.064 -16.026 164 HD21 LEU 23 HD21 LEU 23 -11.138 -5.046 -16.937 165 HD22 LEU 23 HD22 LEU 23 -12.578 -4.056 -17.180 166 HD23 LEU 23 HD23 LEU 23 -12.661 -5.803 -17.404 167 H ASN 24 HN ASN 24 -9.728 -5.396 -12.267 168 HA ASN 24 HA ASN 24 -10.161 -8.177 -12.667 169 HB2 ASN 24 HB2 ASN 24 -7.918 -7.099 -12.633 170 HB3 ASN 24 HB1 ASN 24 -8.104 -6.833 -10.900 171 HD21 ASN 24 HD21 ASN 24 -6.869 -9.015 -13.160 172 HD22 ASN 24 HD22 ASN 24 -6.793 -10.388 -12.166 173 H LYS 25 HN LYS 25 -10.501 -6.033 -9.889 174 HA LYS 25 HA LYS 25 -10.825 -8.054 -7.922 175 HB2 LYS 25 HB2 LYS 25 -12.044 -5.290 -7.859 176 HB3 LYS 25 HB1 LYS 25 -11.601 -6.306 -6.486 177 HG2 LYS 25 HG2 LYS 25 -9.230 -6.163 -7.138 178 HG3 LYS 25 HG1 LYS 25 -9.666 -5.150 -8.514 179 HD2 LYS 25 HD2 LYS 25 -10.589 -3.452 -6.983 180 HD3 LYS 25 HD1 LYS 25 -10.160 -4.464 -5.602 181 HE2 LYS 25 HE2 LYS 25 -8.359 -2.961 -7.478 182 HE3 LYS 25 HE1 LYS 25 -8.318 -3.036 -5.716 183 HZ1 LYS 25 HZ1 LYS 25 -7.277 -4.933 -7.685 184 HZ2 LYS 25 HZ2 LYS 25 -7.878 -5.560 -6.225 185 HZ3 LYS 25 HZ3 LYS 25 -6.610 -4.429 -6.209 186 H LEU 26 HN LEU 26 -13.154 -6.222 -9.888 187 HA LEU 26 HA LEU 26 -15.416 -7.611 -8.748 188 HB2 LEU 26 HB2 LEU 26 -15.041 -5.221 -10.141 189 HB3 LEU 26 HB1 LEU 26 -15.939 -6.247 -11.260 190 HG LEU 26 HG LEU 26 -17.546 -5.074 -9.898 191 HD11 LEU 26 HD11 LEU 26 -17.584 -7.646 -8.423 192 HD12 LEU 26 HD12 LEU 26 -17.505 -7.780 -10.179 193 HD13 LEU 26 HD13 LEU 26 -18.833 -6.902 -9.422 194 HD21 LEU 26 HD21 LEU 26 -15.543 -5.585 -7.829 195 HD22 LEU 26 HD22 LEU 26 -17.174 -5.972 -7.285 196 HD23 LEU 26 HD23 LEU 26 -16.804 -4.354 -7.882 197 H GLY 27 HN GLY 27 -13.581 -7.707 -11.775 198 HA2 GLY 27 HA2 GLY 27 -15.230 -9.959 -12.700 199 HA3 GLY 27 HA1 GLY 27 -14.123 -9.018 -13.693 200 H GLY 28 HN GLY 28 -11.807 -9.085 -12.179 201 HA2 GLY 28 HA2 GLY 28 -9.935 -10.404 -11.884 202 HA3 GLY 28 HA1 GLY 28 -11.034 -11.558 -11.127 203 H VAL 29 HN VAL 29 -11.509 -10.505 -14.394 204 HA VAL 29 HA VAL 29 -10.641 -13.156 -15.379 205 HB VAL 29 HB VAL 29 -12.439 -13.024 -17.017 206 HG11 VAL 29 HG11 VAL 29 -12.755 -13.379 -14.273 207 HG12 VAL 29 HG12 VAL 29 -13.923 -13.833 -15.514 208 HG13 VAL 29 HG13 VAL 29 -14.058 -12.273 -14.704 209 HG21 VAL 29 HG21 VAL 29 -14.111 -11.006 -16.364 210 HG22 VAL 29 HG22 VAL 29 -12.867 -10.848 -17.602 211 HG23 VAL 29 HG23 VAL 29 -12.570 -10.243 -15.974 212 H LYS 30 HN LYS 30 -10.463 -12.984 -17.916 213 HA LYS 30 HA LYS 30 -8.245 -11.315 -18.459 214 HB2 LYS 30 HB2 LYS 30 -9.006 -13.550 -19.582 215 HB3 LYS 30 HB1 LYS 30 -9.939 -12.490 -20.637 216 HG2 LYS 30 HG2 LYS 30 -7.563 -11.192 -20.666 217 HG3 LYS 30 HG1 LYS 30 -7.001 -12.848 -20.433 218 HD2 LYS 30 HD2 LYS 30 -8.105 -13.599 -22.422 219 HD3 LYS 30 HD1 LYS 30 -8.994 -12.084 -22.578 220 HE2 LYS 30 HE2 LYS 30 -7.098 -10.889 -23.266 221 HE3 LYS 30 HE1 LYS 30 -5.986 -12.073 -22.581 222 HZ1 LYS 30 HZ1 LYS 30 -6.296 -13.510 -24.323 223 HZ2 LYS 30 HZ2 LYS 30 -6.409 -12.015 -25.122 224 HZ3 LYS 30 HZ3 LYS 30 -7.818 -12.882 -24.732 225 H TYR 31 HN TYR 31 -8.084 -9.357 -19.384 226 HA TYR 31 HA TYR 31 -10.448 -8.126 -20.611 227 HB2 TYR 31 HB2 TYR 31 -10.392 -6.183 -19.230 228 HB3 TYR 31 HB1 TYR 31 -10.387 -7.567 -18.137 229 HD1 TYR 31 HD2 TYR 31 -7.847 -8.539 -17.782 230 HD2 TYR 31 HD1 TYR 31 -8.912 -4.473 -18.671 231 HE1 TYR 31 HE2 TYR 31 -5.705 -7.763 -16.803 232 HE2 TYR 31 HE1 TYR 31 -6.769 -3.698 -17.690 233 HH TYR 31 HH TYR 31 -4.435 -6.021 -16.311 234 H ASP 32 HN ASP 32 -9.890 -5.969 -21.580 235 HA ASP 32 HA ASP 32 -7.068 -5.618 -22.267 236 HB2 ASP 32 HB2 ASP 32 -9.023 -5.642 -24.534 237 HB3 ASP 32 HB1 ASP 32 -7.284 -5.930 -24.551 238 H ILE 33 HN ILE 33 -6.571 -3.503 -22.340 239 HA ILE 33 HA ILE 33 -8.809 -1.579 -22.477 240 HB ILE 33 HB ILE 33 -6.906 -0.094 -21.384 241 HG12 ILE 33 HG12 ILE 33 -6.195 -2.748 -20.175 242 HG13 ILE 33 HG11 ILE 33 -5.384 -2.233 -21.654 243 HG21 ILE 33 HG21 ILE 33 -8.933 -1.952 -20.303 244 HG22 ILE 33 HG22 ILE 33 -8.694 -0.235 -19.978 245 HG23 ILE 33 HG23 ILE 33 -7.710 -1.436 -19.140 246 HD11 ILE 33 HD11 ILE 33 -5.579 -0.186 -19.518 247 HD12 ILE 33 HD12 ILE 33 -4.240 -0.559 -20.603 248 HD13 ILE 33 HD13 ILE 33 -4.520 -1.554 -19.174 249 H ASP 34 HN ASP 34 -8.937 -0.641 -24.415 250 HA ASP 34 HA ASP 34 -6.446 -0.103 -25.907 251 HB2 ASP 34 HB2 ASP 34 -9.272 -0.028 -26.975 252 HB3 ASP 34 HB1 ASP 34 -7.772 -0.052 -27.900 253 H LEU 35 HN LEU 35 -5.755 1.848 -25.172 254 HA LEU 35 HA LEU 35 -7.375 3.992 -24.363 255 HB2 LEU 35 HB2 LEU 35 -4.585 3.468 -24.662 256 HB3 LEU 35 HB1 LEU 35 -4.935 5.015 -25.432 257 HG LEU 35 HG LEU 35 -6.283 5.556 -23.292 258 HD11 LEU 35 HD11 LEU 35 -4.739 3.092 -22.490 259 HD12 LEU 35 HD12 LEU 35 -6.437 3.468 -22.201 260 HD13 LEU 35 HD13 LEU 35 -5.181 4.314 -21.298 261 HD21 LEU 35 HD21 LEU 35 -3.268 5.311 -23.399 262 HD22 LEU 35 HD22 LEU 35 -4.099 6.117 -22.068 263 HD23 LEU 35 HD23 LEU 35 -4.252 6.741 -23.711 264 HA PRO 36 HA PRO 36 -6.489 5.809 -28.841 265 HB2 PRO 36 HB2 PRO 36 -6.436 3.228 -30.319 266 HB3 PRO 36 HB1 PRO 36 -5.463 4.691 -30.564 267 HG2 PRO 36 HG2 PRO 36 -4.442 2.494 -29.448 268 HG3 PRO 36 HG1 PRO 36 -3.948 4.119 -28.945 269 HD2 PRO 36 HD2 PRO 36 -5.722 2.171 -27.534 270 HD3 PRO 36 HD1 PRO 36 -4.609 3.382 -26.862 271 H ASN 37 HN ASN 37 -8.398 2.922 -28.203 272 HA ASN 37 HA ASN 37 -10.545 3.939 -29.943 273 HB2 ASN 37 HB2 ASN 37 -9.539 1.345 -29.437 274 HB3 ASN 37 HB1 ASN 37 -11.159 1.402 -28.745 275 HD21 ASN 37 HD21 ASN 37 -9.578 2.675 -31.744 276 HD22 ASN 37 HD22 ASN 37 -10.826 2.168 -32.778 277 H LYS 38 HN LYS 38 -9.613 3.944 -26.712 278 HA LYS 38 HA LYS 38 -10.710 4.397 -24.739 279 HB2 LYS 38 HB2 LYS 38 -12.871 5.597 -26.471 280 HB3 LYS 38 HB1 LYS 38 -12.389 6.074 -24.843 281 HG2 LYS 38 HG2 LYS 38 -10.045 6.233 -26.404 282 HG3 LYS 38 HG1 LYS 38 -11.321 6.959 -27.382 283 HD2 LYS 38 HD2 LYS 38 -11.957 8.404 -25.483 284 HD3 LYS 38 HD1 LYS 38 -10.675 7.686 -24.508 285 HE2 LYS 38 HE2 LYS 38 -10.005 8.895 -27.175 286 HE3 LYS 38 HE1 LYS 38 -10.220 9.942 -25.773 287 HZ1 LYS 38 HZ1 LYS 38 -7.982 9.426 -25.718 288 HZ2 LYS 38 HZ2 LYS 38 -8.223 7.816 -26.208 289 HZ3 LYS 38 HZ3 LYS 38 -8.638 8.300 -24.633 290 H LYS 39 HN LYS 39 -11.175 1.829 -25.839 291 HA LYS 39 HA LYS 39 -13.887 1.319 -24.788 292 HB2 LYS 39 HB2 LYS 39 -12.627 0.257 -27.312 293 HB3 LYS 39 HB1 LYS 39 -13.938 -0.600 -26.500 294 HG2 LYS 39 HG2 LYS 39 -14.401 2.293 -26.860 295 HG3 LYS 39 HG1 LYS 39 -14.319 1.369 -28.360 296 HD2 LYS 39 HD2 LYS 39 -15.955 0.293 -26.088 297 HD3 LYS 39 HD1 LYS 39 -16.614 1.605 -27.066 298 HE2 LYS 39 HE2 LYS 39 -16.381 0.300 -29.090 299 HE3 LYS 39 HE1 LYS 39 -15.513 -0.968 -28.227 300 HZ1 LYS 39 HZ1 LYS 39 -17.797 -1.602 -28.516 301 HZ2 LYS 39 HZ2 LYS 39 -18.338 -0.159 -27.802 302 HZ3 LYS 39 HZ3 LYS 39 -17.511 -1.313 -26.869 303 H VAL 40 HN VAL 40 -14.170 -0.837 -23.912 304 HA VAL 40 HA VAL 40 -11.640 -2.191 -23.235 305 HB VAL 40 HB VAL 40 -13.861 -1.760 -21.236 306 HG11 VAL 40 HG11 VAL 40 -12.625 -3.355 -20.202 307 HG12 VAL 40 HG12 VAL 40 -11.450 -2.068 -19.926 308 HG13 VAL 40 HG13 VAL 40 -11.268 -3.147 -21.308 309 HG21 VAL 40 HG21 VAL 40 -11.409 -0.095 -21.843 310 HG22 VAL 40 HG22 VAL 40 -12.191 -0.066 -20.263 311 HG23 VAL 40 HG23 VAL 40 -13.081 0.445 -21.697 312 H CYS 41 HN CYS 41 -11.727 -4.250 -23.815 313 HA CYS 41 HA CYS 41 -14.360 -5.568 -24.031 314 HB2 CYS 41 HB2 CYS 41 -11.808 -5.777 -25.545 315 HB3 CYS 41 HB1 CYS 41 -12.736 -7.259 -25.328 316 HG CYS 41 HG CYS 41 -14.668 -6.270 -26.662 317 H ILE 42 HN ILE 42 -14.827 -6.819 -22.331 318 HA ILE 42 HA ILE 42 -12.616 -8.340 -21.093 319 HB ILE 42 HB ILE 42 -13.016 -6.975 -19.332 320 HG12 ILE 42 HG12 ILE 42 -15.523 -8.653 -19.048 321 HG13 ILE 42 HG11 ILE 42 -13.905 -9.259 -18.698 322 HG21 ILE 42 HG21 ILE 42 -14.465 -5.447 -20.516 323 HG22 ILE 42 HG22 ILE 42 -15.226 -5.833 -18.972 324 HG23 ILE 42 HG23 ILE 42 -15.801 -6.599 -20.454 325 HD11 ILE 42 HD11 ILE 42 -14.968 -6.742 -17.412 326 HD12 ILE 42 HD12 ILE 42 -13.606 -7.738 -16.900 327 HD13 ILE 42 HD13 ILE 42 -15.255 -8.335 -16.711 328 H GLU 43 HN GLU 43 -12.916 -10.428 -20.704 329 HA GLU 43 HA GLU 43 -15.547 -11.605 -21.361 330 HB2 GLU 43 HB2 GLU 43 -13.587 -13.630 -21.228 331 HB3 GLU 43 HB1 GLU 43 -14.352 -12.988 -22.679 332 HG2 GLU 43 HG2 GLU 43 -12.651 -11.235 -22.834 333 HG3 GLU 43 HG1 GLU 43 -11.897 -11.820 -21.354 334 H SER 44 HN SER 44 -16.650 -12.118 -19.574 335 HA SER 44 HA SER 44 -15.139 -13.173 -17.263 336 HB2 SER 44 HB2 SER 44 -16.131 -10.717 -17.172 337 HB3 SER 44 HB1 SER 44 -17.618 -11.582 -16.795 338 HG SER 44 HG SER 44 -16.562 -12.558 -15.070 339 H GLU 45 HN GLU 45 -16.486 -14.369 -15.720 340 HA GLU 45 HA GLU 45 -18.065 -16.342 -17.063 341 HB2 GLU 45 HB2 GLU 45 -17.842 -15.961 -14.082 342 HB3 GLU 45 HB1 GLU 45 -18.089 -17.457 -14.978 343 HG2 GLU 45 HG2 GLU 45 -15.790 -16.886 -16.082 344 HG3 GLU 45 HG1 GLU 45 -15.577 -15.832 -14.685 345 H HIS 46 HN HIS 46 -18.704 -13.558 -15.003 346 HA HIS 46 HA HIS 46 -21.559 -14.150 -14.888 347 HB2 HIS 46 HB2 HIS 46 -20.402 -11.575 -13.914 348 HB3 HIS 46 HB1 HIS 46 -21.698 -12.555 -13.226 349 HD1 HIS 46 HD1 HIS 46 -20.257 -15.276 -13.061 350 HD2 HIS 46 HD2 HIS 46 -18.535 -11.681 -11.841 351 HE1 HIS 46 HE1 HIS 46 -18.438 -15.878 -11.406 352 H SER 47 HN SER 47 -19.516 -11.449 -15.987 353 HA SER 47 HA SER 47 -19.814 -9.897 -17.655 354 HB2 SER 47 HB2 SER 47 -21.890 -11.419 -19.081 355 HB3 SER 47 HB1 SER 47 -20.353 -10.788 -19.664 356 HG SER 47 HG SER 47 -20.267 -13.033 -19.611 357 H MET 48 HN MET 48 -20.863 -8.060 -17.288 358 HA MET 48 HA MET 48 -22.721 -6.624 -17.354 359 HB2 MET 48 HB2 MET 48 -23.947 -8.750 -18.321 360 HB3 MET 48 HB1 MET 48 -24.593 -8.862 -16.683 361 HG2 MET 48 HG2 MET 48 -26.178 -7.490 -17.695 362 HG3 MET 48 HG1 MET 48 -25.075 -6.293 -17.016 363 HE1 MET 48 HE1 MET 48 -27.153 -5.838 -19.086 364 HE2 MET 48 HE2 MET 48 -26.470 -5.071 -20.518 365 HE3 MET 48 HE3 MET 48 -26.081 -4.440 -18.920 366 H ASP 49 HN ASP 49 -21.234 -6.454 -15.311 367 HA ASP 49 HA ASP 49 -22.760 -5.712 -13.129 368 HB2 ASP 49 HB2 ASP 49 -22.443 -8.568 -13.276 369 HB3 ASP 49 HB1 ASP 49 -21.600 -7.957 -11.853 370 H THR 50 HN THR 50 -19.749 -7.341 -14.016 371 HA THR 50 HA THR 50 -18.201 -6.014 -11.979 372 HB THR 50 HB THR 50 -17.323 -8.103 -12.520 373 HG1 THR 50 HG1 THR 50 -15.683 -7.093 -14.379 374 HG21 THR 50 HG21 THR 50 -17.988 -7.356 -15.368 375 HG22 THR 50 HG22 THR 50 -18.566 -8.735 -14.432 376 HG23 THR 50 HG23 THR 50 -16.898 -8.695 -15.002 377 H LEU 51 HN LEU 51 -18.809 -5.574 -15.414 378 HA LEU 51 HA LEU 51 -16.768 -3.705 -15.955 379 HB2 LEU 51 HB2 LEU 51 -19.382 -3.587 -17.395 380 HB3 LEU 51 HB1 LEU 51 -17.741 -3.487 -18.032 381 HG LEU 51 HG LEU 51 -17.637 -5.976 -17.023 382 HD11 LEU 51 HD11 LEU 51 -19.638 -7.026 -16.776 383 HD12 LEU 51 HD12 LEU 51 -20.340 -6.210 -18.171 384 HD13 LEU 51 HD13 LEU 51 -20.294 -5.399 -16.608 385 HD21 LEU 51 HD21 LEU 51 -17.253 -5.141 -19.396 386 HD22 LEU 51 HD22 LEU 51 -18.969 -5.413 -19.680 387 HD23 LEU 51 HD23 LEU 51 -17.920 -6.768 -19.270 388 H LEU 52 HN LEU 52 -20.227 -3.139 -15.261 389 HA LEU 52 HA LEU 52 -20.159 -0.354 -15.404 390 HB2 LEU 52 HB2 LEU 52 -22.145 -0.633 -13.686 391 HB3 LEU 52 HB1 LEU 52 -22.316 -1.145 -15.362 392 HG LEU 52 HG LEU 52 -21.214 -3.103 -13.380 393 HD11 LEU 52 HD11 LEU 52 -23.915 -1.910 -13.312 394 HD12 LEU 52 HD12 LEU 52 -23.040 -2.792 -12.058 395 HD13 LEU 52 HD13 LEU 52 -23.888 -3.674 -13.328 396 HD21 LEU 52 HD21 LEU 52 -21.601 -4.542 -15.073 397 HD22 LEU 52 HD22 LEU 52 -21.999 -3.154 -16.084 398 HD23 LEU 52 HD23 LEU 52 -23.274 -4.009 -15.218 399 H ALA 53 HN ALA 53 -19.841 -2.413 -12.497 400 HA ALA 53 HA ALA 53 -19.635 -0.369 -10.616 401 HB1 ALA 53 HB1 ALA 53 -17.893 -2.663 -10.080 402 HB2 ALA 53 HB2 ALA 53 -19.530 -3.112 -10.558 403 HB3 ALA 53 HB3 ALA 53 -19.275 -2.056 -9.168 404 H THR 54 HN THR 54 -17.005 -1.997 -12.395 405 HA THR 54 HA THR 54 -14.935 -0.461 -11.190 406 HB THR 54 HB THR 54 -15.058 -2.172 -13.666 407 HG1 THR 54 HG1 THR 54 -14.818 -3.522 -12.072 408 HG21 THR 54 HG21 THR 54 -13.278 -0.957 -14.390 409 HG22 THR 54 HG22 THR 54 -12.394 -1.828 -13.137 410 HG23 THR 54 HG23 THR 54 -13.025 -0.215 -12.810 411 H LEU 55 HN LEU 55 -16.501 -0.242 -14.383 412 HA LEU 55 HA LEU 55 -15.025 1.983 -15.287 413 HB2 LEU 55 HB2 LEU 55 -17.515 0.591 -16.092 414 HB3 LEU 55 HB1 LEU 55 -17.323 2.248 -16.662 415 HG LEU 55 HG LEU 55 -15.312 1.743 -17.811 416 HD11 LEU 55 HD11 LEU 55 -14.502 -0.797 -17.497 417 HD12 LEU 55 HD12 LEU 55 -15.221 -0.551 -15.907 418 HD13 LEU 55 HD13 LEU 55 -13.919 0.503 -16.459 419 HD21 LEU 55 HD21 LEU 55 -16.734 -0.878 -18.180 420 HD22 LEU 55 HD22 LEU 55 -16.030 0.185 -19.397 421 HD23 LEU 55 HD23 LEU 55 -17.553 0.619 -18.621 422 H LYS 56 HN LYS 56 -18.015 1.763 -13.414 423 HA LYS 56 HA LYS 56 -18.661 4.538 -13.592 424 HB2 LYS 56 HB2 LYS 56 -19.554 2.305 -11.781 425 HB3 LYS 56 HB1 LYS 56 -20.115 3.963 -11.558 426 HG2 LYS 56 HG2 LYS 56 -21.161 4.015 -13.683 427 HG3 LYS 56 HG1 LYS 56 -20.288 2.586 -14.239 428 HD2 LYS 56 HD2 LYS 56 -22.606 1.996 -13.687 429 HD3 LYS 56 HD1 LYS 56 -21.496 1.215 -12.559 430 HE2 LYS 56 HE2 LYS 56 -22.354 3.897 -11.708 431 HE3 LYS 56 HE1 LYS 56 -23.673 2.732 -11.822 432 HZ1 LYS 56 HZ1 LYS 56 -22.153 1.188 -10.540 433 HZ2 LYS 56 HZ2 LYS 56 -22.822 2.489 -9.675 434 HZ3 LYS 56 HZ3 LYS 56 -21.207 2.553 -10.201 435 H LYS 57 HN LYS 57 -16.502 2.711 -11.571 436 HA LYS 57 HA LYS 57 -16.329 4.086 -9.234 437 HB2 LYS 57 HB2 LYS 57 -14.668 2.328 -10.597 438 HB3 LYS 57 HB1 LYS 57 -13.662 3.756 -10.362 439 HG2 LYS 57 HG2 LYS 57 -15.281 2.529 -8.120 440 HG3 LYS 57 HG1 LYS 57 -13.628 2.029 -8.474 441 HD2 LYS 57 HD2 LYS 57 -13.840 4.926 -8.390 442 HD3 LYS 57 HD1 LYS 57 -14.406 4.204 -6.884 443 HE2 LYS 57 HE2 LYS 57 -12.286 2.809 -6.878 444 HE3 LYS 57 HE1 LYS 57 -11.715 3.809 -8.214 445 HZ1 LYS 57 HZ1 LYS 57 -12.060 4.481 -5.403 446 HZ2 LYS 57 HZ2 LYS 57 -12.477 5.691 -6.522 447 HZ3 LYS 57 HZ3 LYS 57 -10.910 5.036 -6.519 448 H THR 58 HN THR 58 -14.848 5.129 -12.316 449 HA THR 58 HA THR 58 -13.972 7.627 -11.127 450 HB THR 58 HB THR 58 -13.862 7.580 -14.016 451 HG1 THR 58 HG1 THR 58 -13.051 5.664 -14.364 452 HG21 THR 58 HG21 THR 58 -11.409 7.722 -13.494 453 HG22 THR 58 HG22 THR 58 -11.807 7.495 -11.794 454 HG23 THR 58 HG23 THR 58 -12.381 8.925 -12.650 455 H GLY 59 HN GLY 59 -16.873 6.485 -12.338 456 HA2 GLY 59 HA2 GLY 59 -18.875 7.691 -12.486 457 HA3 GLY 59 HA1 GLY 59 -17.949 9.188 -12.486 458 H ALA 60 HN ALA 60 -16.821 6.800 -14.661 459 HA ALA 60 HA ALA 60 -17.442 8.456 -16.930 460 HB1 ALA 60 HB1 ALA 60 -15.929 5.938 -16.450 461 HB2 ALA 60 HB2 ALA 60 -15.446 7.396 -17.315 462 HB3 ALA 60 HB3 ALA 60 -16.520 6.228 -18.086 463 H THR 61 HN THR 61 -18.910 8.106 -18.556 464 HA THR 61 HA THR 61 -21.322 6.798 -17.952 465 HB THR 61 HB THR 61 -20.781 7.061 -20.818 466 HG1 THR 61 HG1 THR 61 -19.365 8.652 -20.054 467 HG21 THR 61 HG21 THR 61 -22.730 8.333 -18.877 468 HG22 THR 61 HG22 THR 61 -23.034 6.925 -19.895 469 HG23 THR 61 HG23 THR 61 -22.800 8.511 -20.630 470 H VAL 62 HN VAL 62 -22.118 4.793 -18.405 471 HA VAL 62 HA VAL 62 -20.298 2.907 -19.776 472 HB VAL 62 HB VAL 62 -21.972 2.502 -17.297 473 HG11 VAL 62 HG11 VAL 62 -20.814 0.118 -17.608 474 HG12 VAL 62 HG12 VAL 62 -20.923 0.560 -19.312 475 HG13 VAL 62 HG13 VAL 62 -22.383 0.476 -18.327 476 HG21 VAL 62 HG21 VAL 62 -19.518 1.476 -16.789 477 HG22 VAL 62 HG22 VAL 62 -19.930 3.164 -16.485 478 HG23 VAL 62 HG23 VAL 62 -19.081 2.716 -17.964 479 H SER 63 HN SER 63 -21.156 1.715 -21.367 480 HA SER 63 HA SER 63 -24.087 1.509 -21.580 481 HB2 SER 63 HB2 SER 63 -22.180 2.629 -23.603 482 HB3 SER 63 HB1 SER 63 -23.625 1.782 -24.143 483 HG SER 63 HG SER 63 -24.220 3.466 -22.134 484 H TYR 64 HN TYR 64 -24.675 -0.550 -21.843 485 HA TYR 64 HA TYR 64 -22.664 -2.542 -22.519 486 HB2 TYR 64 HB2 TYR 64 -24.025 -4.069 -21.492 487 HB3 TYR 64 HB1 TYR 64 -24.663 -2.616 -20.722 488 HD1 TYR 64 HD2 TYR 64 -25.198 -5.057 -23.467 489 HD2 TYR 64 HD1 TYR 64 -26.870 -1.804 -21.212 490 HE1 TYR 64 HE2 TYR 64 -27.419 -5.497 -24.478 491 HE2 TYR 64 HE1 TYR 64 -29.091 -2.244 -22.225 492 HH TYR 64 HH TYR 64 -29.892 -5.039 -23.753 493 H LEU 65 HN LEU 65 -22.642 -3.767 -24.345 494 HA LEU 65 HA LEU 65 -24.357 -2.836 -26.544 495 HB2 LEU 65 HB2 LEU 65 -22.005 -4.693 -26.827 496 HB3 LEU 65 HB1 LEU 65 -22.704 -3.605 -28.027 497 HG LEU 65 HG LEU 65 -21.381 -2.647 -25.477 498 HD11 LEU 65 HD11 LEU 65 -19.859 -1.975 -27.784 499 HD12 LEU 65 HD12 LEU 65 -20.184 -3.707 -27.866 500 HD13 LEU 65 HD13 LEU 65 -19.388 -3.025 -26.448 501 HD21 LEU 65 HD21 LEU 65 -21.237 -0.619 -27.279 502 HD22 LEU 65 HD22 LEU 65 -22.578 -0.812 -26.150 503 HD23 LEU 65 HD23 LEU 65 -22.730 -1.396 -27.807 504 H GLY 66 HN GLY 66 -23.477 -5.712 -24.719 505 HA2 GLY 66 HA2 GLY 66 -25.657 -7.165 -24.644 506 HA3 GLY 66 HA1 GLY 66 -25.270 -7.373 -26.348 507 H LEU 67 HN LEU 67 -25.400 -9.507 -24.505 508 HA LEU 67 HA LEU 67 -22.640 -10.221 -23.864 509 HB2 LEU 67 HB2 LEU 67 -25.338 -11.386 -23.249 510 HB3 LEU 67 HB1 LEU 67 -23.903 -12.399 -23.113 511 HG LEU 67 HG LEU 67 -22.971 -10.317 -21.748 512 HD11 LEU 67 HD11 LEU 67 -25.972 -10.124 -21.350 513 HD12 LEU 67 HD12 LEU 67 -24.986 -8.933 -22.200 514 HD13 LEU 67 HD13 LEU 67 -24.745 -9.207 -20.474 515 HD21 LEU 67 HD21 LEU 67 -24.141 -11.383 -19.684 516 HD22 LEU 67 HD22 LEU 67 -23.087 -12.406 -20.662 517 HD23 LEU 67 HD23 LEU 67 -24.838 -12.508 -20.850 518 H GLU 68 HN GLU 68 -21.624 -12.109 -24.674 519 HA GLU 68 HA GLU 68 -22.736 -13.785 -26.660 520 HB2 GLU 68 HB2 GLU 68 -22.377 -11.386 -27.770 521 HB3 GLU 68 HB1 GLU 68 -20.730 -11.995 -27.947 522 HG2 GLU 68 HG2 GLU 68 -21.929 -14.156 -28.844 523 HG3 GLU 68 HG1 GLU 68 -23.278 -13.059 -29.129 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -17.366 -19.072 -20.871 2 H2 MET 1 HT2 MET 1 -17.137 -17.391 -20.764 3 H3 MET 1 HT3 MET 1 -16.012 -18.452 -20.059 4 HA MET 1 HA MET 1 -14.827 -18.295 -21.911 5 HB2 MET 1 HB2 MET 1 -16.886 -20.223 -22.317 6 HB3 MET 1 HB1 MET 1 -16.648 -19.378 -23.847 7 HG2 MET 1 HG2 MET 1 -15.103 -21.230 -23.802 8 HG3 MET 1 HG1 MET 1 -14.165 -19.754 -23.567 9 HE1 MET 1 HE1 MET 1 -12.829 -21.892 -23.246 10 HE2 MET 1 HE2 MET 1 -13.446 -23.184 -22.221 11 HE3 MET 1 HE3 MET 1 -12.163 -22.135 -21.625 12 HA PRO 2 HA PRO 2 -17.877 -15.917 -24.992 13 HB2 PRO 2 HB2 PRO 2 -19.810 -15.056 -22.891 14 HB3 PRO 2 HB1 PRO 2 -20.108 -15.517 -24.578 15 HG2 PRO 2 HG2 PRO 2 -20.714 -17.146 -22.558 16 HG3 PRO 2 HG1 PRO 2 -20.117 -17.760 -24.109 17 HD2 PRO 2 HD2 PRO 2 -18.689 -17.547 -21.495 18 HD3 PRO 2 HD1 PRO 2 -18.485 -18.736 -22.800 19 H LYS 3 HN LYS 3 -17.263 -13.850 -25.427 20 HA LYS 3 HA LYS 3 -15.971 -12.350 -23.270 21 HB2 LYS 3 HB2 LYS 3 -14.933 -11.057 -25.015 22 HB3 LYS 3 HB1 LYS 3 -14.816 -12.758 -25.466 23 HG2 LYS 3 HG2 LYS 3 -16.781 -12.527 -26.924 24 HG3 LYS 3 HG1 LYS 3 -16.941 -10.833 -26.456 25 HD2 LYS 3 HD2 LYS 3 -14.934 -10.218 -27.546 26 HD3 LYS 3 HD1 LYS 3 -14.381 -11.890 -27.653 27 HE2 LYS 3 HE2 LYS 3 -15.142 -11.316 -29.845 28 HE3 LYS 3 HE1 LYS 3 -16.407 -12.326 -29.145 29 HZ1 LYS 3 HZ1 LYS 3 -17.494 -10.201 -28.428 30 HZ2 LYS 3 HZ2 LYS 3 -17.468 -10.469 -30.106 31 HZ3 LYS 3 HZ3 LYS 3 -16.378 -9.373 -29.401 32 H HIS 4 HN HIS 4 -16.475 -10.201 -22.772 33 HA HIS 4 HA HIS 4 -19.148 -9.330 -23.695 34 HB2 HIS 4 HB2 HIS 4 -18.664 -9.964 -21.187 35 HB3 HIS 4 HB1 HIS 4 -17.935 -8.358 -21.134 36 HD1 HIS 4 HD1 HIS 4 -20.381 -8.595 -19.464 37 HD2 HIS 4 HD2 HIS 4 -20.620 -7.708 -23.530 38 HE1 HIS 4 HE1 HIS 4 -22.627 -7.483 -19.825 39 H GLU 5 HN GLU 5 -19.295 -7.404 -24.687 40 HA GLU 5 HA GLU 5 -16.870 -5.722 -24.751 41 HB2 GLU 5 HB2 GLU 5 -19.166 -6.003 -26.698 42 HB3 GLU 5 HB1 GLU 5 -17.927 -4.754 -26.824 43 HG2 GLU 5 HG2 GLU 5 -16.287 -6.243 -27.427 44 HG3 GLU 5 HG1 GLU 5 -16.982 -7.555 -26.475 45 H PHE 6 HN PHE 6 -16.912 -3.758 -23.875 46 HA PHE 6 HA PHE 6 -19.533 -2.517 -23.320 47 HB2 PHE 6 HB2 PHE 6 -17.530 -3.418 -21.417 48 HB3 PHE 6 HB1 PHE 6 -17.821 -1.684 -21.267 49 HD1 PHE 6 HD1 PHE 6 -19.863 -4.770 -21.930 50 HD2 PHE 6 HD2 PHE 6 -19.477 -1.086 -19.755 51 HE1 PHE 6 HE1 PHE 6 -22.005 -5.230 -20.771 52 HE2 PHE 6 HE2 PHE 6 -21.620 -1.546 -18.596 53 HZ PHE 6 HZ PHE 6 -22.884 -3.618 -19.104 54 H SER 7 HN SER 7 -19.649 -0.347 -23.656 55 HA SER 7 HA SER 7 -17.212 0.945 -24.716 56 HB2 SER 7 HB2 SER 7 -19.549 2.466 -25.307 57 HB3 SER 7 HB1 SER 7 -18.493 1.608 -26.426 58 HG SER 7 HG SER 7 -20.974 1.022 -25.754 59 H VAL 8 HN VAL 8 -16.269 2.156 -23.194 60 HA VAL 8 HA VAL 8 -17.994 3.926 -21.573 61 HB VAL 8 HB VAL 8 -17.367 2.393 -19.947 62 HG11 VAL 8 HG11 VAL 8 -14.920 1.528 -19.916 63 HG12 VAL 8 HG12 VAL 8 -14.834 2.137 -21.568 64 HG13 VAL 8 HG13 VAL 8 -16.002 0.884 -21.150 65 HG21 VAL 8 HG21 VAL 8 -14.897 4.137 -19.920 66 HG22 VAL 8 HG22 VAL 8 -15.805 3.508 -18.545 67 HG23 VAL 8 HG23 VAL 8 -16.492 4.789 -19.543 68 H ASP 9 HN ASP 9 -17.535 5.985 -21.963 69 HA ASP 9 HA ASP 9 -15.130 6.763 -23.346 70 HB2 ASP 9 HB2 ASP 9 -17.658 8.035 -22.523 71 HB3 ASP 9 HB1 ASP 9 -16.259 9.106 -22.501 72 H MET 10 HN MET 10 -13.231 6.994 -22.350 73 HA MET 10 HA MET 10 -12.946 7.101 -19.529 74 HB2 MET 10 HB2 MET 10 -11.137 7.289 -21.880 75 HB3 MET 10 HB1 MET 10 -10.539 7.945 -20.356 76 HG2 MET 10 HG2 MET 10 -10.994 5.816 -19.230 77 HG3 MET 10 HG1 MET 10 -11.668 5.153 -20.719 78 HE1 MET 10 HE1 MET 10 -8.751 3.095 -20.219 79 HE2 MET 10 HE2 MET 10 -9.989 3.781 -19.170 80 HE3 MET 10 HE3 MET 10 -8.304 4.244 -18.951 81 H THR 11 HN THR 11 -13.365 8.759 -18.258 82 HA THR 11 HA THR 11 -13.070 11.503 -19.317 83 HB THR 11 HB THR 11 -14.594 12.127 -17.417 84 HG1 THR 11 HG1 THR 11 -15.044 9.342 -17.257 85 HG21 THR 11 HG21 THR 11 -15.852 10.006 -19.154 86 HG22 THR 11 HG22 THR 11 -15.322 11.552 -19.818 87 HG23 THR 11 HG23 THR 11 -16.568 11.507 -18.570 88 H CYS 12 HN CYS 12 -12.172 9.265 -16.798 89 HA CYS 12 HA CYS 12 -10.546 11.337 -15.473 90 HB2 CYS 12 HB2 CYS 12 -11.867 8.835 -14.572 91 HB3 CYS 12 HB1 CYS 12 -10.334 9.254 -13.809 92 HG CYS 12 HG CYS 12 -12.300 11.597 -13.901 93 H GLY 13 HN GLY 13 -9.797 10.129 -18.013 94 HA2 GLY 13 HA2 GLY 13 -8.178 8.179 -18.458 95 HA3 GLY 13 HA1 GLY 13 -7.518 9.793 -18.700 96 H GLY 14 HN GLY 14 -7.103 10.734 -16.219 97 HA2 GLY 14 HA2 GLY 14 -4.732 9.426 -15.385 98 HA3 GLY 14 HA1 GLY 14 -5.549 10.727 -14.522 99 H CYS 15 HN CYS 15 -7.899 9.763 -13.756 100 HA CYS 15 HA CYS 15 -7.176 7.751 -11.787 101 HB2 CYS 15 HB2 CYS 15 -9.092 9.875 -11.985 102 HB3 CYS 15 HB1 CYS 15 -9.936 8.368 -11.628 103 HG CYS 15 HG CYS 15 -7.550 8.527 -9.833 104 H ALA 16 HN ALA 16 -9.422 8.075 -14.520 105 HA ALA 16 HA ALA 16 -10.814 5.670 -14.268 106 HB1 ALA 16 HB1 ALA 16 -11.631 7.102 -15.926 107 HB2 ALA 16 HB2 ALA 16 -10.863 5.825 -16.870 108 HB3 ALA 16 HB3 ALA 16 -10.034 7.361 -16.628 109 H GLU 17 HN GLU 17 -7.578 6.323 -15.462 110 HA GLU 17 HA GLU 17 -7.090 3.873 -16.768 111 HB2 GLU 17 HB2 GLU 17 -5.540 5.644 -17.127 112 HB3 GLU 17 HB1 GLU 17 -5.263 5.846 -15.397 113 HG2 GLU 17 HG2 GLU 17 -4.086 3.782 -15.238 114 HG3 GLU 17 HG1 GLU 17 -4.630 3.265 -16.833 115 H ALA 18 HN ALA 18 -6.665 4.882 -13.393 116 HA ALA 18 HA ALA 18 -5.545 2.383 -12.537 117 HB1 ALA 18 HB1 ALA 18 -6.940 4.422 -10.798 118 HB2 ALA 18 HB2 ALA 18 -5.283 4.629 -11.366 119 HB3 ALA 18 HB3 ALA 18 -5.696 3.266 -10.325 120 H VAL 19 HN VAL 19 -8.742 3.699 -12.917 121 HA VAL 19 HA VAL 19 -10.202 1.947 -11.273 122 HB VAL 19 HB VAL 19 -10.936 3.429 -13.798 123 HG11 VAL 19 HG11 VAL 19 -13.303 2.899 -13.118 124 HG12 VAL 19 HG12 VAL 19 -12.650 1.742 -11.956 125 HG13 VAL 19 HG13 VAL 19 -12.391 1.500 -13.684 126 HG21 VAL 19 HG21 VAL 19 -10.683 5.008 -12.102 127 HG22 VAL 19 HG22 VAL 19 -11.166 3.877 -10.839 128 HG23 VAL 19 HG23 VAL 19 -12.382 4.577 -11.907 129 H SER 20 HN SER 20 -9.015 1.622 -14.584 130 HA SER 20 HA SER 20 -10.428 -0.664 -15.356 131 HB2 SER 20 HB2 SER 20 -7.564 -0.393 -16.156 132 HB3 SER 20 HB1 SER 20 -8.974 -0.780 -17.141 133 HG SER 20 HG SER 20 -8.060 1.711 -16.191 134 H ARG 21 HN ARG 21 -7.438 -0.323 -13.491 135 HA ARG 21 HA ARG 21 -6.759 -3.057 -13.345 136 HB2 ARG 21 HB2 ARG 21 -6.258 -0.835 -11.345 137 HB3 ARG 21 HB1 ARG 21 -5.461 -2.409 -11.338 138 HG2 ARG 21 HG2 ARG 21 -4.450 -1.985 -13.491 139 HG3 ARG 21 HG1 ARG 21 -5.385 -0.503 -13.691 140 HD2 ARG 21 HD2 ARG 21 -3.057 -0.039 -12.961 141 HD3 ARG 21 HD1 ARG 21 -4.244 0.513 -11.781 142 HE ARG 21 HE ARG 21 -3.287 -0.960 -10.284 143 HH11 ARG 21 HH21 ARG 21 -2.712 -2.012 -13.533 144 HH12 ARG 21 HH22 ARG 21 -1.741 -3.368 -13.067 145 HH21 ARG 21 HH11 ARG 21 -2.017 -2.737 -9.669 146 HH22 ARG 21 HH12 ARG 21 -1.349 -3.780 -10.881 147 H VAL 22 HN VAL 22 -8.869 -1.016 -11.396 148 HA VAL 22 HA VAL 22 -9.446 -2.785 -9.307 149 HB VAL 22 HB VAL 22 -11.292 -0.750 -10.580 150 HG11 VAL 22 HG11 VAL 22 -12.562 -2.137 -9.108 151 HG12 VAL 22 HG12 VAL 22 -12.169 -0.692 -8.178 152 HG13 VAL 22 HG13 VAL 22 -11.263 -2.182 -7.916 153 HG21 VAL 22 HG21 VAL 22 -10.256 0.892 -9.305 154 HG22 VAL 22 HG22 VAL 22 -8.869 -0.134 -9.675 155 HG23 VAL 22 HG23 VAL 22 -9.669 -0.262 -8.108 156 H LEU 23 HN LEU 23 -10.353 -2.887 -12.625 157 HA LEU 23 HA LEU 23 -12.796 -4.265 -12.511 158 HB2 LEU 23 HB2 LEU 23 -11.830 -3.322 -14.593 159 HB3 LEU 23 HB1 LEU 23 -10.591 -4.574 -14.564 160 HG LEU 23 HG LEU 23 -12.313 -6.316 -14.709 161 HD11 LEU 23 HD11 LEU 23 -14.086 -3.950 -14.305 162 HD12 LEU 23 HD12 LEU 23 -14.255 -5.598 -13.698 163 HD13 LEU 23 HD13 LEU 23 -14.673 -5.226 -15.371 164 HD21 LEU 23 HD21 LEU 23 -13.040 -5.883 -16.995 165 HD22 LEU 23 HD22 LEU 23 -11.404 -5.255 -16.791 166 HD23 LEU 23 HD23 LEU 23 -12.779 -4.151 -16.785 167 H ASN 24 HN ASN 24 -9.474 -5.390 -12.202 168 HA ASN 24 HA ASN 24 -9.927 -8.151 -12.454 169 HB2 ASN 24 HB2 ASN 24 -7.894 -6.696 -10.744 170 HB3 ASN 24 HB1 ASN 24 -7.833 -8.407 -11.170 171 HD21 ASN 24 HD21 ASN 24 -5.645 -7.470 -12.131 172 HD22 ASN 24 HD22 ASN 24 -5.724 -6.950 -13.745 173 H LYS 25 HN LYS 25 -10.305 -5.952 -9.726 174 HA LYS 25 HA LYS 25 -10.722 -7.946 -7.740 175 HB2 LYS 25 HB2 LYS 25 -11.784 -5.115 -7.747 176 HB3 LYS 25 HB1 LYS 25 -11.495 -6.142 -6.343 177 HG2 LYS 25 HG2 LYS 25 -9.279 -5.410 -8.260 178 HG3 LYS 25 HG1 LYS 25 -9.691 -4.390 -6.882 179 HD2 LYS 25 HD2 LYS 25 -9.481 -6.541 -5.468 180 HD3 LYS 25 HD1 LYS 25 -8.654 -7.222 -6.869 181 HE2 LYS 25 HE2 LYS 25 -7.171 -5.117 -6.796 182 HE3 LYS 25 HE1 LYS 25 -7.833 -4.857 -5.182 183 HZ1 LYS 25 HZ1 LYS 25 -6.219 -7.132 -6.159 184 HZ2 LYS 25 HZ2 LYS 25 -7.158 -7.248 -4.748 185 HZ3 LYS 25 HZ3 LYS 25 -5.908 -6.103 -4.847 186 H LEU 26 HN LEU 26 -12.962 -6.022 -9.736 187 HA LEU 26 HA LEU 26 -15.308 -7.245 -8.614 188 HB2 LEU 26 HB2 LEU 26 -14.849 -4.943 -9.985 189 HB3 LEU 26 HB1 LEU 26 -15.493 -5.965 -11.269 190 HG LEU 26 HG LEU 26 -17.357 -4.853 -10.237 191 HD11 LEU 26 HD11 LEU 26 -17.313 -7.473 -10.624 192 HD12 LEU 26 HD12 LEU 26 -18.699 -6.705 -9.855 193 HD13 LEU 26 HD13 LEU 26 -17.478 -7.514 -8.871 194 HD21 LEU 26 HD21 LEU 26 -15.755 -5.116 -7.881 195 HD22 LEU 26 HD22 LEU 26 -17.306 -5.897 -7.572 196 HD23 LEU 26 HD23 LEU 26 -17.254 -4.210 -8.080 197 H GLY 27 HN GLY 27 -13.402 -7.643 -11.571 198 HA2 GLY 27 HA2 GLY 27 -15.123 -9.885 -12.389 199 HA3 GLY 27 HA1 GLY 27 -13.951 -9.062 -13.411 200 H GLY 28 HN GLY 28 -11.618 -9.179 -12.340 201 HA2 GLY 28 HA2 GLY 28 -9.829 -10.483 -11.678 202 HA3 GLY 28 HA1 GLY 28 -10.977 -11.583 -10.916 203 H VAL 29 HN VAL 29 -11.243 -10.673 -14.271 204 HA VAL 29 HA VAL 29 -10.226 -13.322 -15.101 205 HB VAL 29 HB VAL 29 -12.452 -12.225 -16.683 206 HG11 VAL 29 HG11 VAL 29 -12.863 -14.473 -17.067 207 HG12 VAL 29 HG12 VAL 29 -12.346 -14.951 -15.451 208 HG13 VAL 29 HG13 VAL 29 -11.146 -14.545 -16.678 209 HG21 VAL 29 HG21 VAL 29 -13.288 -11.638 -14.474 210 HG22 VAL 29 HG22 VAL 29 -12.836 -13.221 -13.841 211 HG23 VAL 29 HG23 VAL 29 -14.136 -13.083 -15.026 212 H LYS 30 HN LYS 30 -10.501 -13.176 -17.728 213 HA LYS 30 HA LYS 30 -8.328 -11.575 -18.546 214 HB2 LYS 30 HB2 LYS 30 -10.257 -13.390 -19.833 215 HB3 LYS 30 HB1 LYS 30 -9.619 -12.129 -20.890 216 HG2 LYS 30 HG2 LYS 30 -7.303 -12.761 -20.090 217 HG3 LYS 30 HG1 LYS 30 -8.033 -14.149 -19.282 218 HD2 LYS 30 HD2 LYS 30 -9.002 -14.840 -21.499 219 HD3 LYS 30 HD1 LYS 30 -8.067 -13.547 -22.252 220 HE2 LYS 30 HE2 LYS 30 -6.021 -14.607 -21.079 221 HE3 LYS 30 HE1 LYS 30 -7.055 -16.018 -20.849 222 HZ1 LYS 30 HZ1 LYS 30 -5.657 -15.269 -23.144 223 HZ2 LYS 30 HZ2 LYS 30 -7.313 -15.129 -23.496 224 HZ3 LYS 30 HZ3 LYS 30 -6.684 -16.603 -22.935 225 H TYR 31 HN TYR 31 -8.217 -9.490 -19.016 226 HA TYR 31 HA TYR 31 -10.592 -8.111 -20.067 227 HB2 TYR 31 HB2 TYR 31 -10.635 -6.473 -18.446 228 HB3 TYR 31 HB1 TYR 31 -10.137 -7.856 -17.473 229 HD1 TYR 31 HD1 TYR 31 -7.361 -8.264 -18.021 230 HD2 TYR 31 HD2 TYR 31 -9.508 -4.554 -17.743 231 HE1 TYR 31 HE1 TYR 31 -5.259 -7.092 -17.422 232 HE2 TYR 31 HE2 TYR 31 -7.406 -3.382 -17.144 233 HH TYR 31 HH TYR 31 -4.338 -4.812 -17.505 234 H ASP 32 HN ASP 32 -10.084 -6.055 -21.102 235 HA ASP 32 HA ASP 32 -7.280 -5.534 -21.703 236 HB2 ASP 32 HB2 ASP 32 -7.276 -6.129 -23.900 237 HB3 ASP 32 HB1 ASP 32 -8.508 -7.265 -23.360 238 H ILE 33 HN ILE 33 -6.896 -3.426 -22.212 239 HA ILE 33 HA ILE 33 -9.261 -1.658 -22.422 240 HB ILE 33 HB ILE 33 -6.697 -0.537 -21.440 241 HG12 ILE 33 HG12 ILE 33 -7.535 -1.372 -19.081 242 HG13 ILE 33 HG11 ILE 33 -8.261 -2.675 -20.024 243 HG21 ILE 33 HG21 ILE 33 -8.938 0.662 -21.698 244 HG22 ILE 33 HG22 ILE 33 -8.166 0.812 -20.120 245 HG23 ILE 33 HG23 ILE 33 -9.508 -0.312 -20.342 246 HD11 ILE 33 HD11 ILE 33 -5.721 -2.510 -21.096 247 HD12 ILE 33 HD12 ILE 33 -6.235 -3.677 -19.878 248 HD13 ILE 33 HD13 ILE 33 -5.437 -2.183 -19.385 249 H ASP 34 HN ASP 34 -9.431 -0.750 -24.375 250 HA ASP 34 HA ASP 34 -6.951 -0.262 -25.912 251 HB2 ASP 34 HB2 ASP 34 -9.499 -1.463 -26.628 252 HB3 ASP 34 HB1 ASP 34 -9.097 -0.111 -27.684 253 H LEU 35 HN LEU 35 -6.458 1.804 -25.375 254 HA LEU 35 HA LEU 35 -8.288 3.894 -24.923 255 HB2 LEU 35 HB2 LEU 35 -5.440 3.556 -25.019 256 HB3 LEU 35 HB1 LEU 35 -5.877 5.004 -25.924 257 HG LEU 35 HG LEU 35 -7.364 5.603 -23.907 258 HD11 LEU 35 HD11 LEU 35 -7.317 4.310 -22.044 259 HD12 LEU 35 HD12 LEU 35 -5.569 4.099 -22.137 260 HD13 LEU 35 HD13 LEU 35 -6.633 3.062 -23.087 261 HD21 LEU 35 HD21 LEU 35 -4.357 5.595 -23.964 262 HD22 LEU 35 HD22 LEU 35 -5.201 6.255 -22.563 263 HD23 LEU 35 HD23 LEU 35 -5.467 6.951 -24.162 264 HA PRO 36 HA PRO 36 -7.123 5.168 -29.550 265 HB2 PRO 36 HB2 PRO 36 -6.987 2.401 -30.636 266 HB3 PRO 36 HB1 PRO 36 -6.017 3.827 -31.048 267 HG2 PRO 36 HG2 PRO 36 -5.039 1.832 -29.567 268 HG3 PRO 36 HG1 PRO 36 -4.576 3.521 -29.297 269 HD2 PRO 36 HD2 PRO 36 -6.377 1.782 -27.675 270 HD3 PRO 36 HD1 PRO 36 -5.334 3.125 -27.160 271 H ASN 37 HN ASN 37 -9.085 2.368 -28.665 272 HA ASN 37 HA ASN 37 -11.112 3.157 -30.647 273 HB2 ASN 37 HB2 ASN 37 -10.579 0.629 -29.113 274 HB3 ASN 37 HB1 ASN 37 -12.132 0.918 -29.882 275 HD21 ASN 37 HD21 ASN 37 -8.625 0.721 -30.592 276 HD22 ASN 37 HD22 ASN 37 -8.823 0.291 -32.222 277 H LYS 38 HN LYS 38 -10.363 3.713 -27.469 278 HA LYS 38 HA LYS 38 -11.549 4.423 -25.625 279 HB2 LYS 38 HB2 LYS 38 -13.808 5.165 -27.463 280 HB3 LYS 38 HB1 LYS 38 -13.216 6.010 -26.035 281 HG2 LYS 38 HG2 LYS 38 -11.828 7.258 -27.290 282 HG3 LYS 38 HG1 LYS 38 -11.102 5.820 -28.000 283 HD2 LYS 38 HD2 LYS 38 -12.837 5.695 -29.686 284 HD3 LYS 38 HD1 LYS 38 -13.741 6.997 -28.910 285 HE2 LYS 38 HE2 LYS 38 -11.034 7.860 -29.422 286 HE3 LYS 38 HE1 LYS 38 -11.758 7.248 -30.908 287 HZ1 LYS 38 HZ1 LYS 38 -12.495 9.392 -30.921 288 HZ2 LYS 38 HZ2 LYS 38 -12.583 9.504 -29.228 289 HZ3 LYS 38 HZ3 LYS 38 -13.777 8.654 -30.088 290 H LYS 39 HN LYS 39 -11.829 1.676 -26.283 291 HA LYS 39 HA LYS 39 -14.505 1.179 -25.153 292 HB2 LYS 39 HB2 LYS 39 -13.381 0.156 -27.701 293 HB3 LYS 39 HB1 LYS 39 -14.219 -1.020 -26.690 294 HG2 LYS 39 HG2 LYS 39 -16.257 -0.029 -26.997 295 HG3 LYS 39 HG1 LYS 39 -15.578 1.599 -27.013 296 HD2 LYS 39 HD2 LYS 39 -15.153 1.554 -29.274 297 HD3 LYS 39 HD1 LYS 39 -14.879 -0.189 -29.295 298 HE2 LYS 39 HE2 LYS 39 -17.630 0.632 -28.584 299 HE3 LYS 39 HE1 LYS 39 -17.145 1.004 -30.238 300 HZ1 LYS 39 HZ1 LYS 39 -16.402 -1.629 -29.292 301 HZ2 LYS 39 HZ2 LYS 39 -17.047 -1.151 -30.789 302 HZ3 LYS 39 HZ3 LYS 39 -18.070 -1.372 -29.450 303 H VAL 40 HN VAL 40 -14.670 -1.082 -24.285 304 HA VAL 40 HA VAL 40 -12.084 -2.171 -23.408 305 HB VAL 40 HB VAL 40 -14.379 -1.627 -21.513 306 HG11 VAL 40 HG11 VAL 40 -12.902 -3.573 -20.991 307 HG12 VAL 40 HG12 VAL 40 -12.771 -2.282 -19.798 308 HG13 VAL 40 HG13 VAL 40 -11.513 -2.487 -21.017 309 HG21 VAL 40 HG21 VAL 40 -11.729 -0.184 -21.852 310 HG22 VAL 40 HG22 VAL 40 -12.912 0.132 -20.583 311 HG23 VAL 40 HG23 VAL 40 -13.313 0.473 -22.267 312 H CYS 41 HN CYS 41 -12.054 -4.275 -23.850 313 HA CYS 41 HA CYS 41 -14.626 -5.740 -23.859 314 HB2 CYS 41 HB2 CYS 41 -13.266 -5.433 -26.060 315 HB3 CYS 41 HB1 CYS 41 -12.195 -6.653 -25.371 316 HG CYS 41 HG CYS 41 -14.722 -7.321 -26.719 317 H ILE 42 HN ILE 42 -14.801 -6.982 -22.126 318 HA ILE 42 HA ILE 42 -12.415 -8.455 -21.215 319 HB ILE 42 HB ILE 42 -12.597 -6.964 -19.475 320 HG12 ILE 42 HG12 ILE 42 -13.216 -9.482 -18.871 321 HG13 ILE 42 HG11 ILE 42 -13.252 -8.220 -17.646 322 HG21 ILE 42 HG21 ILE 42 -14.349 -5.547 -19.973 323 HG22 ILE 42 HG22 ILE 42 -15.054 -6.420 -18.614 324 HG23 ILE 42 HG23 ILE 42 -15.477 -6.871 -20.265 325 HD11 ILE 42 HD11 ILE 42 -15.756 -8.604 -19.211 326 HD12 ILE 42 HD12 ILE 42 -15.541 -8.230 -17.505 327 HD13 ILE 42 HD13 ILE 42 -15.329 -9.880 -18.080 328 H GLU 43 HN GLU 43 -12.677 -10.581 -20.742 329 HA GLU 43 HA GLU 43 -15.378 -11.692 -21.208 330 HB2 GLU 43 HB2 GLU 43 -13.636 -12.442 -22.799 331 HB3 GLU 43 HB1 GLU 43 -12.674 -13.042 -21.448 332 HG2 GLU 43 HG2 GLU 43 -15.230 -14.137 -21.062 333 HG3 GLU 43 HG1 GLU 43 -14.921 -14.293 -22.791 334 H SER 44 HN SER 44 -16.395 -12.256 -19.389 335 HA SER 44 HA SER 44 -14.860 -13.609 -17.284 336 HB2 SER 44 HB2 SER 44 -16.600 -11.179 -16.873 337 HB3 SER 44 HB1 SER 44 -16.106 -12.249 -15.566 338 HG SER 44 HG SER 44 -14.248 -11.115 -17.371 339 H GLU 45 HN GLU 45 -16.258 -14.608 -15.659 340 HA GLU 45 HA GLU 45 -18.254 -16.215 -16.873 341 HB2 GLU 45 HB2 GLU 45 -17.994 -15.864 -13.907 342 HB3 GLU 45 HB1 GLU 45 -18.321 -17.332 -14.831 343 HG2 GLU 45 HG2 GLU 45 -15.877 -16.624 -15.832 344 HG3 GLU 45 HG1 GLU 45 -15.734 -16.060 -14.167 345 H HIS 46 HN HIS 46 -18.343 -13.335 -14.851 346 HA HIS 46 HA HIS 46 -21.178 -13.437 -14.396 347 HB2 HIS 46 HB2 HIS 46 -19.127 -11.249 -14.008 348 HB3 HIS 46 HB1 HIS 46 -20.821 -11.105 -13.538 349 HD1 HIS 46 HD1 HIS 46 -21.678 -12.776 -11.668 350 HD2 HIS 46 HD2 HIS 46 -17.553 -12.790 -12.265 351 HE1 HIS 46 HE1 HIS 46 -20.672 -13.977 -9.680 352 H SER 47 HN SER 47 -19.801 -10.461 -15.554 353 HA SER 47 HA SER 47 -20.096 -9.319 -17.569 354 HB2 SER 47 HB2 SER 47 -20.882 -10.388 -19.453 355 HB3 SER 47 HB1 SER 47 -20.426 -11.791 -18.492 356 HG SER 47 HG SER 47 -22.986 -10.644 -18.871 357 H MET 48 HN MET 48 -21.155 -7.565 -16.903 358 HA MET 48 HA MET 48 -23.081 -6.193 -16.997 359 HB2 MET 48 HB2 MET 48 -24.342 -8.269 -17.912 360 HB3 MET 48 HB1 MET 48 -24.792 -8.548 -16.229 361 HG2 MET 48 HG2 MET 48 -25.860 -6.399 -16.073 362 HG3 MET 48 HG1 MET 48 -25.229 -5.909 -17.645 363 HE1 MET 48 HE1 MET 48 -26.916 -5.338 -18.977 364 HE2 MET 48 HE2 MET 48 -28.039 -6.427 -19.789 365 HE3 MET 48 HE3 MET 48 -26.303 -6.646 -19.997 366 H ASP 49 HN ASP 49 -21.360 -6.242 -15.021 367 HA ASP 49 HA ASP 49 -22.708 -5.291 -12.792 368 HB2 ASP 49 HB2 ASP 49 -22.570 -8.188 -12.863 369 HB3 ASP 49 HB1 ASP 49 -21.699 -7.549 -11.470 370 H THR 50 HN THR 50 -19.915 -7.074 -13.965 371 HA THR 50 HA THR 50 -18.101 -5.940 -12.029 372 HB THR 50 HB THR 50 -17.366 -8.029 -12.731 373 HG1 THR 50 HG1 THR 50 -15.882 -7.122 -14.725 374 HG21 THR 50 HG21 THR 50 -18.417 -7.184 -15.420 375 HG22 THR 50 HG22 THR 50 -18.814 -8.620 -14.473 376 HG23 THR 50 HG23 THR 50 -17.259 -8.510 -15.297 377 H LEU 51 HN LEU 51 -18.853 -5.441 -15.455 378 HA LEU 51 HA LEU 51 -16.832 -3.535 -15.979 379 HB2 LEU 51 HB2 LEU 51 -19.461 -3.531 -17.417 380 HB3 LEU 51 HB1 LEU 51 -17.835 -3.290 -18.057 381 HG LEU 51 HG LEU 51 -17.656 -5.819 -16.989 382 HD11 LEU 51 HD11 LEU 51 -19.610 -7.051 -17.435 383 HD12 LEU 51 HD12 LEU 51 -20.290 -5.782 -18.452 384 HD13 LEU 51 HD13 LEU 51 -20.232 -5.573 -16.702 385 HD21 LEU 51 HD21 LEU 51 -16.844 -5.059 -19.199 386 HD22 LEU 51 HD22 LEU 51 -18.501 -5.046 -19.801 387 HD23 LEU 51 HD23 LEU 51 -17.744 -6.570 -19.340 388 H LEU 52 HN LEU 52 -20.281 -3.097 -15.182 389 HA LEU 52 HA LEU 52 -20.284 -0.289 -15.335 390 HB2 LEU 52 HB2 LEU 52 -22.276 -0.692 -13.603 391 HB3 LEU 52 HB1 LEU 52 -22.435 -1.060 -15.319 392 HG LEU 52 HG LEU 52 -21.336 -3.156 -13.471 393 HD11 LEU 52 HD11 LEU 52 -23.230 -3.096 -12.234 394 HD12 LEU 52 HD12 LEU 52 -24.041 -3.735 -13.664 395 HD13 LEU 52 HD13 LEU 52 -24.026 -1.997 -13.360 396 HD21 LEU 52 HD21 LEU 52 -23.272 -3.994 -15.454 397 HD22 LEU 52 HD22 LEU 52 -21.571 -4.435 -15.314 398 HD23 LEU 52 HD23 LEU 52 -22.034 -2.990 -16.208 399 H ALA 53 HN ALA 53 -20.055 -2.374 -12.434 400 HA ALA 53 HA ALA 53 -19.832 -0.305 -10.564 401 HB1 ALA 53 HB1 ALA 53 -20.239 -2.467 -9.713 402 HB2 ALA 53 HB2 ALA 53 -18.600 -2.083 -9.185 403 HB3 ALA 53 HB3 ALA 53 -18.855 -3.154 -10.562 404 H THR 54 HN THR 54 -17.235 -2.088 -12.243 405 HA THR 54 HA THR 54 -15.136 -0.630 -10.989 406 HB THR 54 HB THR 54 -14.763 -1.871 -13.680 407 HG1 THR 54 HG1 THR 54 -15.454 -3.713 -12.995 408 HG21 THR 54 HG21 THR 54 -12.606 -2.120 -12.954 409 HG22 THR 54 HG22 THR 54 -13.095 -2.465 -11.296 410 HG23 THR 54 HG23 THR 54 -13.062 -0.800 -11.878 411 H LEU 55 HN LEU 55 -16.607 -0.376 -14.230 412 HA LEU 55 HA LEU 55 -15.015 1.773 -15.107 413 HB2 LEU 55 HB2 LEU 55 -17.782 0.884 -15.939 414 HB3 LEU 55 HB1 LEU 55 -16.824 2.089 -16.796 415 HG LEU 55 HG LEU 55 -15.814 -0.700 -16.207 416 HD11 LEU 55 HD11 LEU 55 -17.806 -0.827 -17.654 417 HD12 LEU 55 HD12 LEU 55 -16.346 -1.205 -18.568 418 HD13 LEU 55 HD13 LEU 55 -17.103 0.380 -18.732 419 HD21 LEU 55 HD21 LEU 55 -14.419 0.088 -18.321 420 HD22 LEU 55 HD22 LEU 55 -13.946 0.595 -16.699 421 HD23 LEU 55 HD23 LEU 55 -14.854 1.694 -17.736 422 H LYS 56 HN LYS 56 -18.138 1.714 -13.418 423 HA LYS 56 HA LYS 56 -18.653 4.496 -13.638 424 HB2 LYS 56 HB2 LYS 56 -19.647 2.348 -11.776 425 HB3 LYS 56 HB1 LYS 56 -20.163 4.028 -11.621 426 HG2 LYS 56 HG2 LYS 56 -21.129 4.041 -13.800 427 HG3 LYS 56 HG1 LYS 56 -20.335 2.526 -14.238 428 HD2 LYS 56 HD2 LYS 56 -22.680 2.086 -13.720 429 HD3 LYS 56 HD1 LYS 56 -21.660 1.365 -12.474 430 HE2 LYS 56 HE2 LYS 56 -22.133 3.115 -10.928 431 HE3 LYS 56 HE1 LYS 56 -22.836 4.135 -12.185 432 HZ1 LYS 56 HZ1 LYS 56 -24.113 2.232 -10.572 433 HZ2 LYS 56 HZ2 LYS 56 -24.199 1.698 -12.183 434 HZ3 LYS 56 HZ3 LYS 56 -24.795 3.232 -11.761 435 H LYS 57 HN LYS 57 -16.566 2.672 -11.552 436 HA LYS 57 HA LYS 57 -16.329 3.956 -9.223 437 HB2 LYS 57 HB2 LYS 57 -14.231 3.022 -11.132 438 HB3 LYS 57 HB1 LYS 57 -13.749 3.874 -9.674 439 HG2 LYS 57 HG2 LYS 57 -15.781 1.743 -9.319 440 HG3 LYS 57 HG1 LYS 57 -14.152 1.203 -9.733 441 HD2 LYS 57 HD2 LYS 57 -13.200 2.275 -7.826 442 HD3 LYS 57 HD1 LYS 57 -14.670 3.202 -7.523 443 HE2 LYS 57 HE2 LYS 57 -15.672 0.682 -7.411 444 HE3 LYS 57 HE1 LYS 57 -14.033 0.388 -6.832 445 HZ1 LYS 57 HZ1 LYS 57 -15.374 0.930 -4.970 446 HZ2 LYS 57 HZ2 LYS 57 -16.009 2.307 -5.736 447 HZ3 LYS 57 HZ3 LYS 57 -14.377 2.270 -5.268 448 H THR 58 HN THR 58 -14.906 5.257 -12.247 449 HA THR 58 HA THR 58 -14.248 7.741 -10.903 450 HB THR 58 HB THR 58 -13.801 8.246 -13.533 451 HG1 THR 58 HG1 THR 58 -12.819 5.769 -13.642 452 HG21 THR 58 HG21 THR 58 -11.471 7.346 -13.025 453 HG22 THR 58 HG22 THR 58 -12.123 6.790 -11.485 454 HG23 THR 58 HG23 THR 58 -12.112 8.511 -11.868 455 H GLY 59 HN GLY 59 -16.937 6.480 -12.618 456 HA2 GLY 59 HA2 GLY 59 -19.038 7.590 -12.658 457 HA3 GLY 59 HA1 GLY 59 -18.198 9.131 -12.519 458 H ALA 60 HN ALA 60 -16.852 6.937 -14.778 459 HA ALA 60 HA ALA 60 -17.425 8.708 -16.964 460 HB1 ALA 60 HB1 ALA 60 -16.421 6.001 -17.581 461 HB2 ALA 60 HB2 ALA 60 -15.429 6.931 -16.458 462 HB3 ALA 60 HB3 ALA 60 -15.789 7.577 -18.059 463 H THR 61 HN THR 61 -18.678 8.300 -18.793 464 HA THR 61 HA THR 61 -21.162 7.069 -18.382 465 HB THR 61 HB THR 61 -20.066 7.371 -21.150 466 HG1 THR 61 HG1 THR 61 -19.472 9.159 -19.569 467 HG21 THR 61 HG21 THR 61 -22.270 7.789 -21.701 468 HG22 THR 61 HG22 THR 61 -22.636 8.507 -20.133 469 HG23 THR 61 HG23 THR 61 -22.507 6.756 -20.293 470 H VAL 62 HN VAL 62 -21.781 5.016 -18.422 471 HA VAL 62 HA VAL 62 -19.978 3.028 -19.658 472 HB VAL 62 HB VAL 62 -21.828 2.940 -17.298 473 HG11 VAL 62 HG11 VAL 62 -22.651 1.015 -18.296 474 HG12 VAL 62 HG12 VAL 62 -21.233 0.359 -17.479 475 HG13 VAL 62 HG13 VAL 62 -21.167 0.725 -19.202 476 HG21 VAL 62 HG21 VAL 62 -19.847 1.783 -16.321 477 HG22 VAL 62 HG22 VAL 62 -19.446 3.388 -16.930 478 HG23 VAL 62 HG23 VAL 62 -19.011 1.958 -17.865 479 H SER 63 HN SER 63 -20.694 1.813 -21.310 480 HA SER 63 HA SER 63 -23.589 1.709 -21.845 481 HB2 SER 63 HB2 SER 63 -21.950 3.363 -23.284 482 HB3 SER 63 HB1 SER 63 -21.899 1.889 -24.247 483 HG SER 63 HG SER 63 -23.762 2.571 -24.949 484 H TYR 64 HN TYR 64 -24.247 -0.314 -22.152 485 HA TYR 64 HA TYR 64 -22.246 -2.406 -22.592 486 HB2 TYR 64 HB2 TYR 64 -23.655 -3.823 -21.496 487 HB3 TYR 64 HB1 TYR 64 -24.323 -2.319 -20.868 488 HD1 TYR 64 HD2 TYR 64 -24.659 -4.706 -23.735 489 HD2 TYR 64 HD1 TYR 64 -26.587 -1.802 -21.221 490 HE1 TYR 64 HE2 TYR 64 -26.837 -5.228 -24.800 491 HE2 TYR 64 HE1 TYR 64 -28.764 -2.324 -22.287 492 HH TYR 64 HH TYR 64 -29.614 -3.274 -24.360 493 H LEU 65 HN LEU 65 -22.053 -3.520 -24.444 494 HA LEU 65 HA LEU 65 -23.777 -2.746 -26.684 495 HB2 LEU 65 HB2 LEU 65 -21.159 -4.253 -26.547 496 HB3 LEU 65 HB1 LEU 65 -22.058 -3.989 -28.040 497 HG LEU 65 HG LEU 65 -21.661 -1.558 -26.421 498 HD11 LEU 65 HD11 LEU 65 -19.495 -2.307 -25.935 499 HD12 LEU 65 HD12 LEU 65 -19.257 -1.428 -27.445 500 HD13 LEU 65 HD13 LEU 65 -19.354 -3.188 -27.457 501 HD21 LEU 65 HD21 LEU 65 -22.611 -1.458 -28.655 502 HD22 LEU 65 HD22 LEU 65 -21.233 -2.333 -29.322 503 HD23 LEU 65 HD23 LEU 65 -21.020 -0.699 -28.696 504 H GLY 66 HN GLY 66 -22.831 -5.560 -24.790 505 HA2 GLY 66 HA2 GLY 66 -24.685 -7.206 -24.476 506 HA3 GLY 66 HA1 GLY 66 -24.879 -7.147 -26.225 507 H LEU 67 HN LEU 67 -24.553 -9.590 -25.397 508 HA LEU 67 HA LEU 67 -21.728 -10.310 -25.269 509 HB2 LEU 67 HB2 LEU 67 -24.236 -12.004 -25.212 510 HB3 LEU 67 HB1 LEU 67 -22.594 -12.619 -25.011 511 HG LEU 67 HG LEU 67 -23.486 -10.353 -23.269 512 HD11 LEU 67 HD11 LEU 67 -24.135 -12.378 -21.663 513 HD12 LEU 67 HD12 LEU 67 -24.509 -13.164 -23.197 514 HD13 LEU 67 HD13 LEU 67 -25.323 -11.664 -22.754 515 HD21 LEU 67 HD21 LEU 67 -21.162 -11.705 -23.481 516 HD22 LEU 67 HD22 LEU 67 -21.982 -12.740 -22.313 517 HD23 LEU 67 HD23 LEU 67 -21.727 -11.033 -21.952 518 H GLU 68 HN GLU 68 -20.596 -11.327 -26.868 519 HA GLU 68 HA GLU 68 -20.796 -10.846 -29.467 520 HB2 GLU 68 HB2 GLU 68 -19.104 -12.367 -28.302 521 HB3 GLU 68 HB1 GLU 68 -20.240 -13.682 -28.600 522 HG2 GLU 68 HG2 GLU 68 -19.297 -11.854 -30.810 523 HG3 GLU 68 HG1 GLU 68 -18.422 -13.321 -30.374 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -16.331 -16.367 -20.357 2 H2 MET 1 HT2 MET 1 -15.420 -17.538 -19.527 3 H3 MET 1 HT3 MET 1 -17.061 -17.819 -19.868 4 HA MET 1 HA MET 1 -14.752 -18.258 -21.500 5 HB2 MET 1 HB2 MET 1 -17.415 -19.339 -20.997 6 HB3 MET 1 HB1 MET 1 -17.036 -19.300 -22.720 7 HG2 MET 1 HG2 MET 1 -15.177 -20.698 -22.477 8 HG3 MET 1 HG1 MET 1 -14.996 -20.323 -20.763 9 HE1 MET 1 HE1 MET 1 -15.467 -23.646 -22.300 10 HE2 MET 1 HE2 MET 1 -15.535 -23.974 -20.571 11 HE3 MET 1 HE3 MET 1 -14.440 -22.736 -21.183 12 HA PRO 2 HA PRO 2 -17.380 -16.011 -24.842 13 HB2 PRO 2 HB2 PRO 2 -19.582 -14.609 -23.993 14 HB3 PRO 2 HB1 PRO 2 -19.638 -16.297 -24.534 15 HG2 PRO 2 HG2 PRO 2 -19.631 -15.191 -21.775 16 HG3 PRO 2 HG1 PRO 2 -20.507 -16.582 -22.435 17 HD2 PRO 2 HD2 PRO 2 -18.235 -16.825 -20.923 18 HD3 PRO 2 HD1 PRO 2 -18.718 -18.013 -22.152 19 H LYS 3 HN LYS 3 -17.276 -13.813 -25.592 20 HA LYS 3 HA LYS 3 -15.774 -12.073 -23.789 21 HB2 LYS 3 HB2 LYS 3 -16.341 -11.977 -26.754 22 HB3 LYS 3 HB1 LYS 3 -15.483 -10.697 -25.894 23 HG2 LYS 3 HG2 LYS 3 -13.694 -12.140 -25.303 24 HG3 LYS 3 HG1 LYS 3 -14.623 -13.585 -25.704 25 HD2 LYS 3 HD2 LYS 3 -14.295 -11.666 -27.927 26 HD3 LYS 3 HD1 LYS 3 -12.803 -12.433 -27.382 27 HE2 LYS 3 HE2 LYS 3 -13.982 -13.726 -29.179 28 HE3 LYS 3 HE1 LYS 3 -13.762 -14.641 -27.688 29 HZ1 LYS 3 HZ1 LYS 3 -16.220 -13.399 -28.745 30 HZ2 LYS 3 HZ2 LYS 3 -16.064 -13.746 -27.089 31 HZ3 LYS 3 HZ3 LYS 3 -15.971 -14.997 -28.235 32 H HIS 4 HN HIS 4 -16.394 -9.999 -23.211 33 HA HIS 4 HA HIS 4 -19.236 -9.356 -23.732 34 HB2 HIS 4 HB2 HIS 4 -18.159 -9.870 -21.302 35 HB3 HIS 4 HB1 HIS 4 -17.895 -8.128 -21.397 36 HD1 HIS 4 HD1 HIS 4 -20.778 -10.508 -22.216 37 HD2 HIS 4 HD2 HIS 4 -20.116 -6.762 -20.508 38 HE1 HIS 4 HE1 HIS 4 -23.046 -9.634 -21.502 39 H GLU 5 HN GLU 5 -19.667 -7.495 -24.725 40 HA GLU 5 HA GLU 5 -17.442 -5.621 -25.186 41 HB2 GLU 5 HB2 GLU 5 -20.073 -5.989 -26.634 42 HB3 GLU 5 HB1 GLU 5 -18.880 -4.752 -27.027 43 HG2 GLU 5 HG2 GLU 5 -17.474 -6.242 -28.019 44 HG3 GLU 5 HG1 GLU 5 -17.796 -7.492 -26.818 45 H PHE 6 HN PHE 6 -17.461 -3.635 -24.342 46 HA PHE 6 HA PHE 6 -19.988 -2.471 -23.402 47 HB2 PHE 6 HB2 PHE 6 -18.199 -3.712 -21.656 48 HB3 PHE 6 HB1 PHE 6 -17.827 -1.996 -21.506 49 HD1 PHE 6 HD2 PHE 6 -20.001 -0.422 -21.429 50 HD2 PHE 6 HD1 PHE 6 -19.896 -4.572 -20.325 51 HE1 PHE 6 HE2 PHE 6 -22.033 -0.107 -20.041 52 HE2 PHE 6 HE1 PHE 6 -21.930 -4.256 -18.942 53 HZ PHE 6 HZ PHE 6 -22.999 -2.024 -18.802 54 H SER 7 HN SER 7 -20.065 -0.266 -23.621 55 HA SER 7 HA SER 7 -17.666 1.006 -24.788 56 HB2 SER 7 HB2 SER 7 -19.175 1.471 -26.414 57 HB3 SER 7 HB1 SER 7 -20.551 1.173 -25.356 58 HG SER 7 HG SER 7 -19.611 3.488 -26.127 59 H VAL 8 HN VAL 8 -16.575 2.242 -23.404 60 HA VAL 8 HA VAL 8 -18.117 3.905 -21.511 61 HB VAL 8 HB VAL 8 -17.094 1.933 -20.368 62 HG11 VAL 8 HG11 VAL 8 -15.008 2.262 -22.040 63 HG12 VAL 8 HG12 VAL 8 -14.845 1.473 -20.471 64 HG13 VAL 8 HG13 VAL 8 -14.401 3.170 -20.656 65 HG21 VAL 8 HG21 VAL 8 -15.468 3.972 -19.143 66 HG22 VAL 8 HG22 VAL 8 -17.001 3.304 -18.582 67 HG23 VAL 8 HG23 VAL 8 -16.989 4.686 -19.678 68 H ASP 9 HN ASP 9 -17.748 5.983 -21.918 69 HA ASP 9 HA ASP 9 -15.468 6.851 -23.462 70 HB2 ASP 9 HB2 ASP 9 -18.023 7.897 -22.781 71 HB3 ASP 9 HB1 ASP 9 -16.818 9.035 -22.183 72 H MET 10 HN MET 10 -13.508 7.013 -22.547 73 HA MET 10 HA MET 10 -13.201 7.246 -19.694 74 HB2 MET 10 HB2 MET 10 -10.901 6.927 -20.071 75 HB3 MET 10 HB1 MET 10 -11.678 5.989 -21.347 76 HG2 MET 10 HG2 MET 10 -11.488 8.177 -22.750 77 HG3 MET 10 HG1 MET 10 -10.286 8.651 -21.548 78 HE1 MET 10 HE1 MET 10 -8.173 7.636 -24.625 79 HE2 MET 10 HE2 MET 10 -8.896 8.938 -23.682 80 HE3 MET 10 HE3 MET 10 -9.876 8.058 -24.853 81 H THR 11 HN THR 11 -13.392 9.083 -18.636 82 HA THR 11 HA THR 11 -12.589 11.602 -19.959 83 HB THR 11 HB THR 11 -14.140 12.755 -18.548 84 HG1 THR 11 HG1 THR 11 -14.170 10.300 -17.184 85 HG21 THR 11 HG21 THR 11 -15.898 12.115 -19.798 86 HG22 THR 11 HG22 THR 11 -15.992 10.566 -18.961 87 HG23 THR 11 HG23 THR 11 -14.924 10.753 -20.352 88 H CYS 12 HN CYS 12 -12.226 9.524 -17.194 89 HA CYS 12 HA CYS 12 -10.375 11.404 -15.901 90 HB2 CYS 12 HB2 CYS 12 -12.031 9.113 -14.995 91 HB3 CYS 12 HB1 CYS 12 -10.489 9.358 -14.175 92 HG CYS 12 HG CYS 12 -12.923 11.221 -13.997 93 H GLY 13 HN GLY 13 -9.749 9.920 -18.376 94 HA2 GLY 13 HA2 GLY 13 -8.320 7.788 -18.614 95 HA3 GLY 13 HA1 GLY 13 -7.524 9.305 -19.018 96 H GLY 14 HN GLY 14 -6.918 10.463 -16.700 97 HA2 GLY 14 HA2 GLY 14 -4.700 9.000 -15.740 98 HA3 GLY 14 HA1 GLY 14 -5.359 10.460 -15.005 99 H CYS 15 HN CYS 15 -7.811 9.786 -14.161 100 HA CYS 15 HA CYS 15 -7.241 7.979 -11.964 101 HB2 CYS 15 HB2 CYS 15 -9.971 8.787 -11.971 102 HB3 CYS 15 HB1 CYS 15 -8.675 9.339 -10.915 103 HG CYS 15 HG CYS 15 -9.894 10.991 -13.083 104 H ALA 16 HN ALA 16 -9.522 8.116 -14.700 105 HA ALA 16 HA ALA 16 -10.948 5.760 -14.182 106 HB1 ALA 16 HB1 ALA 16 -11.847 7.032 -15.911 107 HB2 ALA 16 HB2 ALA 16 -11.076 5.719 -16.803 108 HB3 ALA 16 HB3 ALA 16 -10.279 7.288 -16.677 109 H GLU 17 HN GLU 17 -7.764 6.259 -15.602 110 HA GLU 17 HA GLU 17 -7.387 3.691 -16.712 111 HB2 GLU 17 HB2 GLU 17 -5.835 5.377 -17.333 112 HB3 GLU 17 HB1 GLU 17 -5.451 5.752 -15.652 113 HG2 GLU 17 HG2 GLU 17 -4.978 2.980 -16.713 114 HG3 GLU 17 HG1 GLU 17 -3.806 4.254 -17.042 115 H ALA 18 HN ALA 18 -6.630 4.998 -13.493 116 HA ALA 18 HA ALA 18 -5.523 2.561 -12.495 117 HB1 ALA 18 HB1 ALA 18 -6.285 3.844 -10.246 118 HB2 ALA 18 HB2 ALA 18 -6.309 5.197 -11.377 119 HB3 ALA 18 HB3 ALA 18 -4.827 4.269 -11.144 120 H VAL 19 HN VAL 19 -8.718 3.902 -12.770 121 HA VAL 19 HA VAL 19 -10.071 2.273 -10.899 122 HB VAL 19 HB VAL 19 -10.994 3.661 -13.419 123 HG11 VAL 19 HG11 VAL 19 -12.498 1.813 -13.097 124 HG12 VAL 19 HG12 VAL 19 -13.299 3.246 -12.449 125 HG13 VAL 19 HG13 VAL 19 -12.547 2.084 -11.355 126 HG21 VAL 19 HG21 VAL 19 -10.718 4.337 -10.553 127 HG22 VAL 19 HG22 VAL 19 -12.264 4.789 -11.271 128 HG23 VAL 19 HG23 VAL 19 -10.759 5.399 -11.959 129 H SER 20 HN SER 20 -9.146 1.789 -14.266 130 HA SER 20 HA SER 20 -10.671 -0.473 -14.861 131 HB2 SER 20 HB2 SER 20 -7.929 0.393 -15.781 132 HB3 SER 20 HB1 SER 20 -8.729 -1.041 -16.417 133 HG SER 20 HG SER 20 -10.198 1.325 -16.299 134 H ARG 21 HN ARG 21 -7.691 -0.134 -13.021 135 HA ARG 21 HA ARG 21 -6.915 -2.826 -12.875 136 HB2 ARG 21 HB2 ARG 21 -6.653 -0.631 -10.802 137 HB3 ARG 21 HB1 ARG 21 -5.803 -2.176 -10.746 138 HG2 ARG 21 HG2 ARG 21 -4.523 -1.683 -12.661 139 HG3 ARG 21 HG1 ARG 21 -5.623 -0.405 -13.177 140 HD2 ARG 21 HD2 ARG 21 -3.664 0.661 -12.266 141 HD3 ARG 21 HD1 ARG 21 -4.972 0.879 -11.106 142 HE ARG 21 HE ARG 21 -3.217 -1.424 -10.683 143 HH11 ARG 21 HH21 ARG 21 -4.124 1.828 -9.930 144 HH12 ARG 21 HH22 ARG 21 -3.310 1.848 -8.401 145 HH21 ARG 21 HH11 ARG 21 -2.147 -1.408 -8.677 146 HH22 ARG 21 HH12 ARG 21 -2.193 0.013 -7.689 147 H VAL 22 HN VAL 22 -9.249 -0.964 -10.987 148 HA VAL 22 HA VAL 22 -9.846 -2.856 -9.011 149 HB VAL 22 HB VAL 22 -11.592 -0.753 -10.309 150 HG11 VAL 22 HG11 VAL 22 -12.151 -2.817 -8.262 151 HG12 VAL 22 HG12 VAL 22 -13.268 -1.923 -9.294 152 HG13 VAL 22 HG13 VAL 22 -12.637 -1.178 -7.825 153 HG21 VAL 22 HG21 VAL 22 -11.094 0.133 -7.826 154 HG22 VAL 22 HG22 VAL 22 -9.995 0.460 -9.167 155 HG23 VAL 22 HG23 VAL 22 -9.650 -0.855 -8.044 156 H LEU 23 HN LEU 23 -10.555 -2.832 -12.377 157 HA LEU 23 HA LEU 23 -12.900 -4.376 -12.450 158 HB2 LEU 23 HB2 LEU 23 -11.941 -3.225 -14.422 159 HB3 LEU 23 HB1 LEU 23 -10.596 -4.361 -14.420 160 HG LEU 23 HG LEU 23 -12.507 -4.879 -16.039 161 HD11 LEU 23 HD11 LEU 23 -11.840 -7.036 -15.959 162 HD12 LEU 23 HD12 LEU 23 -12.409 -7.244 -14.305 163 HD13 LEU 23 HD13 LEU 23 -10.824 -6.533 -14.608 164 HD21 LEU 23 HD21 LEU 23 -14.559 -5.696 -15.221 165 HD22 LEU 23 HD22 LEU 23 -14.235 -4.309 -14.183 166 HD23 LEU 23 HD23 LEU 23 -13.918 -5.942 -13.596 167 H ASN 24 HN ASN 24 -9.489 -5.287 -12.273 168 HA ASN 24 HA ASN 24 -9.775 -8.064 -12.562 169 HB2 ASN 24 HB2 ASN 24 -7.583 -7.063 -12.622 170 HB3 ASN 24 HB1 ASN 24 -7.773 -6.429 -10.988 171 HD21 ASN 24 HD21 ASN 24 -6.723 -7.680 -9.450 172 HD22 ASN 24 HD22 ASN 24 -6.466 -9.354 -9.564 173 H LYS 25 HN LYS 25 -10.086 -5.955 -9.749 174 HA LYS 25 HA LYS 25 -10.349 -8.018 -7.808 175 HB2 LYS 25 HB2 LYS 25 -9.763 -5.825 -7.054 176 HB3 LYS 25 HB1 LYS 25 -11.176 -5.111 -7.832 177 HG2 LYS 25 HG2 LYS 25 -12.664 -6.324 -6.316 178 HG3 LYS 25 HG1 LYS 25 -11.284 -7.130 -5.571 179 HD2 LYS 25 HD2 LYS 25 -11.759 -4.134 -5.587 180 HD3 LYS 25 HD1 LYS 25 -12.041 -5.202 -4.212 181 HE2 LYS 25 HE2 LYS 25 -9.900 -4.605 -3.669 182 HE3 LYS 25 HE1 LYS 25 -9.491 -5.887 -4.809 183 HZ1 LYS 25 HZ1 LYS 25 -9.466 -4.173 -6.574 184 HZ2 LYS 25 HZ2 LYS 25 -8.274 -3.935 -5.387 185 HZ3 LYS 25 HZ3 LYS 25 -9.679 -2.981 -5.384 186 H LEU 26 HN LEU 26 -12.716 -6.090 -9.634 187 HA LEU 26 HA LEU 26 -14.993 -7.349 -8.425 188 HB2 LEU 26 HB2 LEU 26 -14.637 -5.033 -9.764 189 HB3 LEU 26 HB1 LEU 26 -15.271 -6.039 -11.065 190 HG LEU 26 HG LEU 26 -17.137 -4.979 -9.956 191 HD11 LEU 26 HD11 LEU 26 -17.176 -7.731 -8.759 192 HD12 LEU 26 HD12 LEU 26 -17.082 -7.561 -10.513 193 HD13 LEU 26 HD13 LEU 26 -18.449 -6.878 -9.632 194 HD21 LEU 26 HD21 LEU 26 -16.877 -6.251 -7.349 195 HD22 LEU 26 HD22 LEU 26 -17.162 -4.554 -7.737 196 HD23 LEU 26 HD23 LEU 26 -15.514 -5.182 -7.682 197 H GLY 27 HN GLY 27 -13.244 -7.728 -11.486 198 HA2 GLY 27 HA2 GLY 27 -15.024 -9.950 -12.223 199 HA3 GLY 27 HA1 GLY 27 -13.910 -9.121 -13.305 200 H GLY 28 HN GLY 28 -11.513 -9.247 -12.156 201 HA2 GLY 28 HA2 GLY 28 -9.719 -10.620 -11.675 202 HA3 GLY 28 HA1 GLY 28 -10.860 -11.745 -10.941 203 H VAL 29 HN VAL 29 -11.321 -10.655 -14.192 204 HA VAL 29 HA VAL 29 -10.506 -13.310 -15.220 205 HB VAL 29 HB VAL 29 -12.272 -12.723 -17.026 206 HG11 VAL 29 HG11 VAL 29 -13.256 -14.423 -15.926 207 HG12 VAL 29 HG12 VAL 29 -13.989 -13.242 -14.839 208 HG13 VAL 29 HG13 VAL 29 -12.438 -13.976 -14.429 209 HG21 VAL 29 HG21 VAL 29 -13.679 -11.228 -14.881 210 HG22 VAL 29 HG22 VAL 29 -13.743 -11.012 -16.631 211 HG23 VAL 29 HG23 VAL 29 -12.388 -10.359 -15.710 212 H LYS 30 HN LYS 30 -10.486 -13.028 -17.800 213 HA LYS 30 HA LYS 30 -8.208 -11.357 -18.318 214 HB2 LYS 30 HB2 LYS 30 -8.520 -13.560 -19.413 215 HB3 LYS 30 HB1 LYS 30 -9.922 -12.915 -20.268 216 HG2 LYS 30 HG2 LYS 30 -8.637 -11.512 -21.607 217 HG3 LYS 30 HG1 LYS 30 -7.317 -11.438 -20.438 218 HD2 LYS 30 HD2 LYS 30 -8.032 -14.016 -21.836 219 HD3 LYS 30 HD1 LYS 30 -6.932 -12.846 -22.568 220 HE2 LYS 30 HE2 LYS 30 -5.252 -13.628 -21.296 221 HE3 LYS 30 HE1 LYS 30 -6.149 -13.197 -19.841 222 HZ1 LYS 30 HZ1 LYS 30 -5.696 -15.523 -19.801 223 HZ2 LYS 30 HZ2 LYS 30 -6.331 -15.737 -21.363 224 HZ3 LYS 30 HZ3 LYS 30 -7.358 -15.322 -20.073 225 H TYR 31 HN TYR 31 -8.158 -9.354 -19.106 226 HA TYR 31 HA TYR 31 -10.548 -8.283 -20.450 227 HB2 TYR 31 HB2 TYR 31 -10.081 -6.120 -19.127 228 HB3 TYR 31 HB1 TYR 31 -10.884 -7.442 -18.277 229 HD1 TYR 31 HD2 TYR 31 -7.443 -6.153 -19.033 230 HD2 TYR 31 HD1 TYR 31 -10.001 -8.184 -16.244 231 HE1 TYR 31 HE2 TYR 31 -5.596 -6.209 -17.379 232 HE2 TYR 31 HE1 TYR 31 -8.155 -8.239 -14.590 233 HH TYR 31 HH TYR 31 -5.530 -8.176 -14.762 234 H ASP 32 HN ASP 32 -10.078 -6.130 -21.467 235 HA ASP 32 HA ASP 32 -7.314 -5.530 -22.082 236 HB2 ASP 32 HB2 ASP 32 -8.305 -5.734 -24.653 237 HB3 ASP 32 HB1 ASP 32 -7.208 -6.880 -23.884 238 H ILE 33 HN ILE 33 -7.195 -3.386 -22.188 239 HA ILE 33 HA ILE 33 -9.589 -1.886 -23.071 240 HB ILE 33 HB ILE 33 -8.994 -1.638 -20.646 241 HG12 ILE 33 HG12 ILE 33 -8.581 0.897 -22.259 242 HG13 ILE 33 HG11 ILE 33 -10.155 0.135 -22.030 243 HG21 ILE 33 HG21 ILE 33 -6.972 -0.603 -19.984 244 HG22 ILE 33 HG22 ILE 33 -6.609 -0.068 -21.625 245 HG23 ILE 33 HG23 ILE 33 -6.473 -1.775 -21.204 246 HD11 ILE 33 HD11 ILE 33 -8.902 0.330 -19.472 247 HD12 ILE 33 HD12 ILE 33 -10.358 1.149 -20.036 248 HD13 ILE 33 HD13 ILE 33 -8.780 1.904 -20.257 249 H ASP 34 HN ASP 34 -9.342 -0.733 -24.871 250 HA ASP 34 HA ASP 34 -6.597 -0.129 -25.782 251 HB2 ASP 34 HB2 ASP 34 -9.092 -0.202 -27.481 252 HB3 ASP 34 HB1 ASP 34 -7.415 -0.175 -28.025 253 H LEU 35 HN LEU 35 -6.098 1.869 -25.148 254 HA LEU 35 HA LEU 35 -7.884 3.978 -24.665 255 HB2 LEU 35 HB2 LEU 35 -5.071 3.543 -24.546 256 HB3 LEU 35 HB1 LEU 35 -5.349 5.036 -25.442 257 HG LEU 35 HG LEU 35 -6.954 5.708 -23.575 258 HD11 LEU 35 HD11 LEU 35 -6.058 3.070 -22.646 259 HD12 LEU 35 HD12 LEU 35 -7.467 4.013 -22.161 260 HD13 LEU 35 HD13 LEU 35 -5.897 4.331 -21.424 261 HD21 LEU 35 HD21 LEU 35 -4.252 5.334 -22.361 262 HD22 LEU 35 HD22 LEU 35 -5.232 6.794 -22.487 263 HD23 LEU 35 HD23 LEU 35 -4.334 6.211 -23.888 264 HA PRO 36 HA PRO 36 -6.589 5.768 -28.983 265 HB2 PRO 36 HB2 PRO 36 -5.829 3.807 -30.814 266 HB3 PRO 36 HB1 PRO 36 -4.733 4.900 -29.954 267 HG2 PRO 36 HG2 PRO 36 -5.372 2.066 -29.429 268 HG3 PRO 36 HG1 PRO 36 -3.876 2.966 -29.138 269 HD2 PRO 36 HD2 PRO 36 -5.623 2.263 -27.153 270 HD3 PRO 36 HD1 PRO 36 -4.553 3.677 -27.052 271 H ASN 37 HN ASN 37 -8.165 2.667 -28.591 272 HA ASN 37 HA ASN 37 -9.994 3.274 -30.815 273 HB2 ASN 37 HB2 ASN 37 -8.844 0.881 -29.892 274 HB3 ASN 37 HB1 ASN 37 -10.550 0.784 -29.462 275 HD21 ASN 37 HD21 ASN 37 -8.967 2.342 -32.305 276 HD22 ASN 37 HD22 ASN 37 -9.834 1.445 -33.457 277 H LYS 38 HN LYS 38 -9.762 3.651 -27.483 278 HA LYS 38 HA LYS 38 -11.283 4.124 -25.818 279 HB2 LYS 38 HB2 LYS 38 -13.372 4.900 -27.779 280 HB3 LYS 38 HB1 LYS 38 -12.754 5.780 -26.380 281 HG2 LYS 38 HG2 LYS 38 -10.538 5.876 -27.841 282 HG3 LYS 38 HG1 LYS 38 -11.676 5.669 -29.172 283 HD2 LYS 38 HD2 LYS 38 -13.007 7.576 -27.909 284 HD3 LYS 38 HD1 LYS 38 -11.419 7.941 -27.235 285 HE2 LYS 38 HE2 LYS 38 -10.642 7.755 -29.750 286 HE3 LYS 38 HE1 LYS 38 -12.342 8.082 -30.085 287 HZ1 LYS 38 HZ1 LYS 38 -11.701 10.205 -29.878 288 HZ2 LYS 38 HZ2 LYS 38 -10.303 9.820 -28.991 289 HZ3 LYS 38 HZ3 LYS 38 -11.810 9.910 -28.211 290 H LYS 39 HN LYS 39 -11.243 1.458 -26.754 291 HA LYS 39 HA LYS 39 -14.044 0.678 -26.232 292 HB2 LYS 39 HB2 LYS 39 -12.688 0.270 -28.636 293 HB3 LYS 39 HB1 LYS 39 -12.564 -1.277 -27.799 294 HG2 LYS 39 HG2 LYS 39 -15.050 -1.149 -27.373 295 HG3 LYS 39 HG1 LYS 39 -15.095 0.260 -28.433 296 HD2 LYS 39 HD2 LYS 39 -14.782 -0.983 -30.322 297 HD3 LYS 39 HD1 LYS 39 -13.689 -2.110 -29.520 298 HE2 LYS 39 HE2 LYS 39 -15.547 -3.254 -28.465 299 HE3 LYS 39 HE1 LYS 39 -16.686 -2.051 -29.071 300 HZ1 LYS 39 HZ1 LYS 39 -15.159 -3.093 -31.203 301 HZ2 LYS 39 HZ2 LYS 39 -16.842 -3.148 -30.970 302 HZ3 LYS 39 HZ3 LYS 39 -15.852 -4.374 -30.334 303 H VAL 40 HN VAL 40 -14.322 -1.080 -24.886 304 HA VAL 40 HA VAL 40 -11.877 -2.334 -23.813 305 HB VAL 40 HB VAL 40 -14.195 -1.669 -22.020 306 HG11 VAL 40 HG11 VAL 40 -12.793 -2.366 -20.368 307 HG12 VAL 40 HG12 VAL 40 -11.395 -1.572 -21.093 308 HG13 VAL 40 HG13 VAL 40 -11.912 -3.152 -21.678 309 HG21 VAL 40 HG21 VAL 40 -13.750 0.522 -22.592 310 HG22 VAL 40 HG22 VAL 40 -12.109 0.158 -23.127 311 HG23 VAL 40 HG23 VAL 40 -12.465 0.294 -21.405 312 H CYS 41 HN CYS 41 -11.977 -4.459 -24.052 313 HA CYS 41 HA CYS 41 -14.638 -5.753 -24.038 314 HB2 CYS 41 HB2 CYS 41 -13.072 -5.687 -26.195 315 HB3 CYS 41 HB1 CYS 41 -12.325 -7.064 -25.386 316 HG CYS 41 HG CYS 41 -15.371 -7.290 -25.510 317 H ILE 42 HN ILE 42 -14.919 -6.850 -22.228 318 HA ILE 42 HA ILE 42 -12.624 -8.342 -21.114 319 HB ILE 42 HB ILE 42 -12.973 -6.579 -19.587 320 HG12 ILE 42 HG12 ILE 42 -13.273 -9.165 -18.823 321 HG13 ILE 42 HG11 ILE 42 -13.264 -7.822 -17.682 322 HG21 ILE 42 HG21 ILE 42 -15.008 -5.613 -20.327 323 HG22 ILE 42 HG22 ILE 42 -15.351 -6.175 -18.690 324 HG23 ILE 42 HG23 ILE 42 -15.904 -7.112 -20.078 325 HD11 ILE 42 HD11 ILE 42 -15.614 -7.811 -17.489 326 HD12 ILE 42 HD12 ILE 42 -15.216 -9.529 -17.539 327 HD13 ILE 42 HD13 ILE 42 -15.832 -8.724 -18.982 328 H GLU 43 HN GLU 43 -12.963 -10.422 -20.546 329 HA GLU 43 HA GLU 43 -15.658 -11.511 -21.075 330 HB2 GLU 43 HB2 GLU 43 -14.074 -12.561 -22.509 331 HB3 GLU 43 HB1 GLU 43 -12.894 -12.721 -21.209 332 HG2 GLU 43 HG2 GLU 43 -15.483 -13.988 -20.626 333 HG3 GLU 43 HG1 GLU 43 -14.630 -14.702 -21.994 334 H SER 44 HN SER 44 -16.798 -11.904 -19.287 335 HA SER 44 HA SER 44 -15.341 -12.817 -16.880 336 HB2 SER 44 HB2 SER 44 -16.141 -10.988 -15.858 337 HB3 SER 44 HB1 SER 44 -17.136 -10.573 -17.252 338 HG SER 44 HG SER 44 -17.738 -12.136 -14.999 339 H GLU 45 HN GLU 45 -16.695 -14.059 -15.364 340 HA GLU 45 HA GLU 45 -18.049 -16.180 -16.725 341 HB2 GLU 45 HB2 GLU 45 -18.185 -15.759 -13.759 342 HB3 GLU 45 HB1 GLU 45 -18.050 -17.264 -14.666 343 HG2 GLU 45 HG2 GLU 45 -15.761 -15.922 -15.417 344 HG3 GLU 45 HG1 GLU 45 -15.935 -15.456 -13.726 345 H HIS 46 HN HIS 46 -19.001 -13.243 -15.139 346 HA HIS 46 HA HIS 46 -21.841 -14.030 -15.358 347 HB2 HIS 46 HB2 HIS 46 -20.334 -12.424 -13.380 348 HB3 HIS 46 HB1 HIS 46 -21.920 -11.799 -13.834 349 HD1 HIS 46 HD1 HIS 46 -21.975 -15.374 -14.229 350 HD2 HIS 46 HD2 HIS 46 -22.399 -12.783 -10.992 351 HE1 HIS 46 HE1 HIS 46 -23.095 -16.705 -12.388 352 H SER 47 HN SER 47 -19.796 -11.121 -15.512 353 HA SER 47 HA SER 47 -19.744 -9.387 -17.029 354 HB2 SER 47 HB2 SER 47 -21.767 -10.570 -18.838 355 HB3 SER 47 HB1 SER 47 -20.201 -9.853 -19.209 356 HG SER 47 HG SER 47 -19.230 -11.732 -18.805 357 H MET 48 HN MET 48 -20.988 -7.543 -17.600 358 HA MET 48 HA MET 48 -22.699 -6.026 -17.389 359 HB2 MET 48 HB2 MET 48 -24.515 -8.386 -16.868 360 HB3 MET 48 HB1 MET 48 -24.969 -6.788 -17.459 361 HG2 MET 48 HG2 MET 48 -23.710 -7.159 -19.524 362 HG3 MET 48 HG1 MET 48 -23.158 -8.726 -18.930 363 HE1 MET 48 HE1 MET 48 -24.702 -7.711 -21.547 364 HE2 MET 48 HE2 MET 48 -25.937 -6.752 -20.736 365 HE3 MET 48 HE3 MET 48 -26.405 -8.171 -21.669 366 H ASP 49 HN ASP 49 -21.090 -6.843 -15.141 367 HA ASP 49 HA ASP 49 -22.690 -5.690 -13.033 368 HB2 ASP 49 HB2 ASP 49 -21.581 -8.467 -12.591 369 HB3 ASP 49 HB1 ASP 49 -22.562 -7.515 -11.477 370 H THR 50 HN THR 50 -19.719 -7.263 -14.064 371 HA THR 50 HA THR 50 -18.127 -6.161 -11.929 372 HB THR 50 HB THR 50 -17.195 -8.140 -12.688 373 HG1 THR 50 HG1 THR 50 -15.829 -6.699 -14.601 374 HG21 THR 50 HG21 THR 50 -18.089 -7.211 -15.418 375 HG22 THR 50 HG22 THR 50 -18.549 -8.678 -14.550 376 HG23 THR 50 HG23 THR 50 -16.931 -8.531 -15.234 377 H LEU 51 HN LEU 51 -18.713 -5.416 -15.339 378 HA LEU 51 HA LEU 51 -16.719 -3.453 -15.637 379 HB2 LEU 51 HB2 LEU 51 -19.345 -3.829 -17.084 380 HB3 LEU 51 HB1 LEU 51 -18.050 -2.754 -17.602 381 HG LEU 51 HG LEU 51 -16.675 -5.090 -17.185 382 HD11 LEU 51 HD11 LEU 51 -19.035 -6.062 -18.726 383 HD12 LEU 51 HD12 LEU 51 -19.195 -6.005 -16.971 384 HD13 LEU 51 HD13 LEU 51 -17.910 -6.959 -17.707 385 HD21 LEU 51 HD21 LEU 51 -16.152 -4.098 -19.188 386 HD22 LEU 51 HD22 LEU 51 -17.828 -3.675 -19.530 387 HD23 LEU 51 HD23 LEU 51 -17.259 -5.318 -19.819 388 H LEU 52 HN LEU 52 -20.209 -3.066 -14.963 389 HA LEU 52 HA LEU 52 -20.285 -0.296 -14.934 390 HB2 LEU 52 HB2 LEU 52 -22.161 -0.779 -13.118 391 HB3 LEU 52 HB1 LEU 52 -22.404 -1.146 -14.822 392 HG LEU 52 HG LEU 52 -21.143 -3.219 -13.056 393 HD11 LEU 52 HD11 LEU 52 -23.862 -3.837 -13.093 394 HD12 LEU 52 HD12 LEU 52 -23.827 -2.117 -12.716 395 HD13 LEU 52 HD13 LEU 52 -22.949 -3.261 -11.700 396 HD21 LEU 52 HD21 LEU 52 -21.487 -4.508 -14.877 397 HD22 LEU 52 HD22 LEU 52 -22.015 -3.065 -15.738 398 HD23 LEU 52 HD23 LEU 52 -23.196 -4.081 -14.915 399 H ALA 53 HN ALA 53 -19.823 -2.447 -12.108 400 HA ALA 53 HA ALA 53 -19.563 -0.429 -10.198 401 HB1 ALA 53 HB1 ALA 53 -19.101 -3.267 -10.340 402 HB2 ALA 53 HB2 ALA 53 -19.469 -2.272 -8.931 403 HB3 ALA 53 HB3 ALA 53 -17.796 -2.494 -9.440 404 H THR 54 HN THR 54 -17.019 -2.019 -12.119 405 HA THR 54 HA THR 54 -14.892 -0.492 -11.003 406 HB THR 54 HB THR 54 -15.088 -2.111 -13.543 407 HG1 THR 54 HG1 THR 54 -13.812 -2.584 -11.057 408 HG21 THR 54 HG21 THR 54 -12.417 -1.885 -12.762 409 HG22 THR 54 HG22 THR 54 -13.056 -0.249 -12.608 410 HG23 THR 54 HG23 THR 54 -13.168 -1.100 -14.149 411 H LEU 55 HN LEU 55 -16.563 -0.256 -14.162 412 HA LEU 55 HA LEU 55 -15.095 1.980 -15.054 413 HB2 LEU 55 HB2 LEU 55 -17.647 0.662 -15.861 414 HB3 LEU 55 HB1 LEU 55 -17.300 2.271 -16.494 415 HG LEU 55 HG LEU 55 -15.243 1.546 -17.480 416 HD11 LEU 55 HD11 LEU 55 -15.634 -0.811 -15.665 417 HD12 LEU 55 HD12 LEU 55 -14.190 0.163 -15.931 418 HD13 LEU 55 HD13 LEU 55 -14.694 -1.014 -17.144 419 HD21 LEU 55 HD21 LEU 55 -17.474 0.782 -18.544 420 HD22 LEU 55 HD22 LEU 55 -17.068 -0.820 -17.933 421 HD23 LEU 55 HD23 LEU 55 -16.003 -0.023 -19.091 422 H LYS 56 HN LYS 56 -18.238 1.775 -13.388 423 HA LYS 56 HA LYS 56 -18.747 4.569 -13.434 424 HB2 LYS 56 HB2 LYS 56 -20.303 2.502 -12.886 425 HB3 LYS 56 HB1 LYS 56 -19.811 2.858 -11.230 426 HG2 LYS 56 HG2 LYS 56 -21.785 4.144 -11.606 427 HG3 LYS 56 HG1 LYS 56 -20.446 5.286 -11.723 428 HD2 LYS 56 HD2 LYS 56 -21.167 5.837 -13.781 429 HD3 LYS 56 HD1 LYS 56 -20.760 4.204 -14.312 430 HE2 LYS 56 HE2 LYS 56 -23.389 4.910 -12.984 431 HE3 LYS 56 HE1 LYS 56 -23.164 4.888 -14.734 432 HZ1 LYS 56 HZ1 LYS 56 -22.887 2.633 -14.767 433 HZ2 LYS 56 HZ2 LYS 56 -23.993 2.778 -13.485 434 HZ3 LYS 56 HZ3 LYS 56 -22.340 2.550 -13.163 435 H LYS 57 HN LYS 57 -16.645 2.630 -11.509 436 HA LYS 57 HA LYS 57 -16.537 3.841 -9.064 437 HB2 LYS 57 HB2 LYS 57 -14.943 2.065 -10.338 438 HB3 LYS 57 HB1 LYS 57 -13.890 3.477 -10.343 439 HG2 LYS 57 HG2 LYS 57 -15.296 2.592 -7.821 440 HG3 LYS 57 HG1 LYS 57 -13.759 1.881 -8.309 441 HD2 LYS 57 HD2 LYS 57 -12.825 4.223 -8.473 442 HD3 LYS 57 HD1 LYS 57 -14.319 4.799 -7.730 443 HE2 LYS 57 HE2 LYS 57 -12.438 4.403 -6.092 444 HE3 LYS 57 HE1 LYS 57 -13.910 3.499 -5.735 445 HZ1 LYS 57 HZ1 LYS 57 -12.958 1.538 -6.293 446 HZ2 LYS 57 HZ2 LYS 57 -11.546 2.356 -5.819 447 HZ3 LYS 57 HZ3 LYS 57 -11.939 2.219 -7.465 448 H THR 58 HN THR 58 -14.953 5.053 -12.040 449 HA THR 58 HA THR 58 -14.135 7.483 -10.673 450 HB THR 58 HB THR 58 -13.842 7.758 -13.483 451 HG1 THR 58 HG1 THR 58 -12.448 5.520 -13.044 452 HG21 THR 58 HG21 THR 58 -11.404 7.408 -12.843 453 HG22 THR 58 HG22 THR 58 -11.970 7.093 -11.203 454 HG23 THR 58 HG23 THR 58 -12.252 8.667 -11.947 455 H GLY 59 HN GLY 59 -16.918 6.364 -12.262 456 HA2 GLY 59 HA2 GLY 59 -18.950 7.581 -12.314 457 HA3 GLY 59 HA1 GLY 59 -18.028 9.079 -12.255 458 H ALA 60 HN ALA 60 -16.838 6.753 -14.460 459 HA ALA 60 HA ALA 60 -17.409 8.461 -16.703 460 HB1 ALA 60 HB1 ALA 60 -15.468 7.439 -17.240 461 HB2 ALA 60 HB2 ALA 60 -16.492 6.109 -17.782 462 HB3 ALA 60 HB3 ALA 60 -15.785 6.076 -16.167 463 H THR 61 HN THR 61 -18.761 8.077 -18.441 464 HA THR 61 HA THR 61 -21.217 6.793 -17.933 465 HB THR 61 HB THR 61 -20.073 7.470 -20.649 466 HG1 THR 61 HG1 THR 61 -19.923 9.285 -19.391 467 HG21 THR 61 HG21 THR 61 -22.068 6.399 -21.095 468 HG22 THR 61 HG22 THR 61 -22.669 8.034 -20.823 469 HG23 THR 61 HG23 THR 61 -22.770 6.834 -19.536 470 H VAL 62 HN VAL 62 -21.917 4.757 -18.246 471 HA VAL 62 HA VAL 62 -20.126 2.895 -19.689 472 HB VAL 62 HB VAL 62 -20.313 2.657 -17.122 473 HG11 VAL 62 HG11 VAL 62 -22.945 1.390 -17.930 474 HG12 VAL 62 HG12 VAL 62 -22.816 2.968 -17.150 475 HG13 VAL 62 HG13 VAL 62 -22.282 1.518 -16.300 476 HG21 VAL 62 HG21 VAL 62 -19.462 0.635 -17.643 477 HG22 VAL 62 HG22 VAL 62 -20.160 0.751 -19.258 478 HG23 VAL 62 HG23 VAL 62 -21.090 0.029 -17.945 479 H SER 63 HN SER 63 -21.019 1.737 -21.288 480 HA SER 63 HA SER 63 -23.958 1.515 -21.414 481 HB2 SER 63 HB2 SER 63 -23.692 3.222 -22.964 482 HB3 SER 63 HB1 SER 63 -22.093 2.672 -23.452 483 HG SER 63 HG SER 63 -24.394 2.158 -24.610 484 H TYR 64 HN TYR 64 -24.516 -0.555 -21.586 485 HA TYR 64 HA TYR 64 -22.549 -2.554 -22.317 486 HB2 TYR 64 HB2 TYR 64 -23.885 -4.029 -21.220 487 HB3 TYR 64 HB1 TYR 64 -24.621 -2.573 -20.554 488 HD1 TYR 64 HD2 TYR 64 -24.932 -5.193 -23.156 489 HD2 TYR 64 HD1 TYR 64 -26.834 -1.870 -21.208 490 HE1 TYR 64 HE2 TYR 64 -27.082 -5.794 -24.231 491 HE2 TYR 64 HE1 TYR 64 -28.986 -2.472 -22.286 492 HH TYR 64 HH TYR 64 -29.444 -5.465 -23.926 493 H LEU 65 HN LEU 65 -22.429 -3.641 -24.195 494 HA LEU 65 HA LEU 65 -24.234 -2.785 -26.354 495 HB2 LEU 65 HB2 LEU 65 -21.512 -4.099 -26.363 496 HB3 LEU 65 HB1 LEU 65 -22.484 -3.885 -27.820 497 HG LEU 65 HG LEU 65 -22.125 -1.490 -26.090 498 HD11 LEU 65 HD11 LEU 65 -19.927 -1.024 -27.227 499 HD12 LEU 65 HD12 LEU 65 -19.924 -2.693 -27.793 500 HD13 LEU 65 HD13 LEU 65 -19.859 -2.348 -26.065 501 HD21 LEU 65 HD21 LEU 65 -22.516 -0.368 -28.069 502 HD22 LEU 65 HD22 LEU 65 -23.308 -1.894 -28.462 503 HD23 LEU 65 HD23 LEU 65 -21.672 -1.576 -29.041 504 H GLY 66 HN GLY 66 -22.954 -5.687 -24.779 505 HA2 GLY 66 HA2 GLY 66 -24.740 -7.449 -24.481 506 HA3 GLY 66 HA1 GLY 66 -24.981 -7.293 -26.219 507 H LEU 67 HN LEU 67 -24.507 -9.732 -25.759 508 HA LEU 67 HA LEU 67 -21.618 -10.267 -25.715 509 HB2 LEU 67 HB2 LEU 67 -24.062 -11.992 -25.364 510 HB3 LEU 67 HB1 LEU 67 -22.472 -12.696 -25.663 511 HG LEU 67 HG LEU 67 -22.392 -10.621 -23.607 512 HD11 LEU 67 HD11 LEU 67 -23.477 -12.346 -21.942 513 HD12 LEU 67 HD12 LEU 67 -24.335 -12.903 -23.379 514 HD13 LEU 67 HD13 LEU 67 -24.511 -11.233 -22.839 515 HD21 LEU 67 HD21 LEU 67 -21.764 -13.553 -23.289 516 HD22 LEU 67 HD22 LEU 67 -20.960 -12.167 -22.551 517 HD23 LEU 67 HD23 LEU 67 -20.725 -12.514 -24.264 518 H GLU 68 HN GLU 68 -20.618 -11.532 -27.338 519 HA GLU 68 HA GLU 68 -21.816 -11.163 -29.982 520 HB2 GLU 68 HB2 GLU 68 -19.486 -10.450 -29.634 521 HB3 GLU 68 HB1 GLU 68 -19.048 -12.099 -29.188 522 HG2 GLU 68 HG2 GLU 68 -19.367 -12.912 -31.360 523 HG3 GLU 68 HG1 GLU 68 -20.418 -11.570 -31.812 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -17.643 -19.619 -22.458 2 H2 MET 1 HT2 MET 1 -16.359 -20.600 -21.932 3 H3 MET 1 HT3 MET 1 -16.344 -19.944 -23.499 4 HA MET 1 HA MET 1 -16.250 -18.347 -21.001 5 HB2 MET 1 HB2 MET 1 -14.108 -19.361 -22.870 6 HB3 MET 1 HB1 MET 1 -13.861 -17.917 -21.888 7 HG2 MET 1 HG2 MET 1 -14.871 -20.433 -20.595 8 HG3 MET 1 HG1 MET 1 -13.149 -20.258 -20.934 9 HE1 MET 1 HE1 MET 1 -13.048 -20.816 -18.591 10 HE2 MET 1 HE2 MET 1 -14.521 -20.388 -17.724 11 HE3 MET 1 HE3 MET 1 -12.993 -19.633 -17.277 12 HA PRO 2 HA PRO 2 -17.550 -15.866 -24.712 13 HB2 PRO 2 HB2 PRO 2 -19.676 -14.638 -23.523 14 HB3 PRO 2 HB1 PRO 2 -19.791 -16.220 -24.317 15 HG2 PRO 2 HG2 PRO 2 -19.627 -15.560 -21.427 16 HG3 PRO 2 HG1 PRO 2 -20.538 -16.837 -22.247 17 HD2 PRO 2 HD2 PRO 2 -18.148 -17.250 -20.916 18 HD3 PRO 2 HD1 PRO 2 -18.766 -18.302 -22.208 19 H LYS 3 HN LYS 3 -17.113 -13.690 -25.083 20 HA LYS 3 HA LYS 3 -15.879 -12.248 -22.829 21 HB2 LYS 3 HB2 LYS 3 -15.057 -10.778 -24.835 22 HB3 LYS 3 HB1 LYS 3 -14.295 -12.339 -24.529 23 HG2 LYS 3 HG2 LYS 3 -15.408 -13.380 -26.309 24 HG3 LYS 3 HG1 LYS 3 -16.680 -12.159 -26.355 25 HD2 LYS 3 HD2 LYS 3 -15.261 -11.747 -28.249 26 HD3 LYS 3 HD1 LYS 3 -14.902 -10.490 -27.064 27 HE2 LYS 3 HE2 LYS 3 -12.829 -11.377 -26.544 28 HE3 LYS 3 HE1 LYS 3 -13.313 -13.022 -26.957 29 HZ1 LYS 3 HZ1 LYS 3 -12.569 -10.815 -28.774 30 HZ2 LYS 3 HZ2 LYS 3 -13.464 -12.150 -29.325 31 HZ3 LYS 3 HZ3 LYS 3 -11.909 -12.375 -28.678 32 H HIS 4 HN HIS 4 -16.394 -10.095 -22.390 33 HA HIS 4 HA HIS 4 -18.969 -9.190 -23.529 34 HB2 HIS 4 HB2 HIS 4 -18.865 -9.800 -21.048 35 HB3 HIS 4 HB1 HIS 4 -17.846 -8.374 -20.849 36 HD1 HIS 4 HD1 HIS 4 -19.699 -7.165 -19.458 37 HD2 HIS 4 HD2 HIS 4 -20.863 -8.127 -23.345 38 HE1 HIS 4 HE1 HIS 4 -21.835 -5.879 -19.908 39 H GLU 5 HN GLU 5 -18.931 -7.361 -24.675 40 HA GLU 5 HA GLU 5 -16.574 -5.599 -24.401 41 HB2 GLU 5 HB2 GLU 5 -18.339 -5.505 -26.807 42 HB3 GLU 5 HB1 GLU 5 -16.605 -5.208 -26.672 43 HG2 GLU 5 HG2 GLU 5 -16.641 -7.294 -27.719 44 HG3 GLU 5 HG1 GLU 5 -16.502 -7.749 -26.022 45 H PHE 6 HN PHE 6 -16.868 -3.538 -23.812 46 HA PHE 6 HA PHE 6 -19.562 -2.372 -24.021 47 HB2 PHE 6 HB2 PHE 6 -19.564 -1.606 -21.768 48 HB3 PHE 6 HB1 PHE 6 -19.121 -3.309 -21.702 49 HD1 PHE 6 HD1 PHE 6 -17.579 0.108 -21.877 50 HD2 PHE 6 HD2 PHE 6 -17.183 -3.974 -20.596 51 HE1 PHE 6 HE1 PHE 6 -15.477 0.678 -20.697 52 HE2 PHE 6 HE2 PHE 6 -15.081 -3.401 -19.415 53 HZ PHE 6 HZ PHE 6 -14.228 -1.074 -19.463 54 H SER 7 HN SER 7 -19.627 -0.159 -24.296 55 HA SER 7 HA SER 7 -17.034 1.081 -24.972 56 HB2 SER 7 HB2 SER 7 -18.047 2.071 -26.738 57 HB3 SER 7 HB1 SER 7 -19.296 0.852 -26.505 58 HG SER 7 HG SER 7 -20.226 2.902 -26.515 59 H VAL 8 HN VAL 8 -16.272 2.548 -23.601 60 HA VAL 8 HA VAL 8 -18.193 4.132 -22.007 61 HB VAL 8 HB VAL 8 -17.035 2.284 -20.703 62 HG11 VAL 8 HG11 VAL 8 -14.849 2.521 -21.887 63 HG12 VAL 8 HG12 VAL 8 -14.682 2.643 -20.136 64 HG13 VAL 8 HG13 VAL 8 -14.639 4.099 -21.128 65 HG21 VAL 8 HG21 VAL 8 -17.713 3.763 -19.120 66 HG22 VAL 8 HG22 VAL 8 -17.247 5.149 -20.105 67 HG23 VAL 8 HG23 VAL 8 -16.043 4.329 -19.112 68 H ASP 9 HN ASP 9 -17.791 6.282 -21.892 69 HA ASP 9 HA ASP 9 -15.656 7.353 -23.544 70 HB2 ASP 9 HB2 ASP 9 -18.201 8.252 -22.676 71 HB3 ASP 9 HB1 ASP 9 -17.013 9.366 -22.001 72 H MET 10 HN MET 10 -13.658 7.498 -22.717 73 HA MET 10 HA MET 10 -13.096 7.335 -19.947 74 HB2 MET 10 HB2 MET 10 -10.789 7.737 -20.571 75 HB3 MET 10 HB1 MET 10 -11.522 6.657 -21.757 76 HG2 MET 10 HG2 MET 10 -10.724 8.119 -23.294 77 HG3 MET 10 HG1 MET 10 -12.089 9.127 -22.820 78 HE1 MET 10 HE1 MET 10 -11.202 11.522 -23.172 79 HE2 MET 10 HE2 MET 10 -10.092 10.563 -24.148 80 HE3 MET 10 HE3 MET 10 -9.465 11.848 -23.117 81 H THR 11 HN THR 11 -13.431 8.843 -18.473 82 HA THR 11 HA THR 11 -13.251 11.684 -19.267 83 HB THR 11 HB THR 11 -15.422 11.379 -18.432 84 HG1 THR 11 HG1 THR 11 -13.581 12.308 -16.567 85 HG21 THR 11 HG21 THR 11 -14.102 9.443 -16.548 86 HG22 THR 11 HG22 THR 11 -15.466 9.178 -17.633 87 HG23 THR 11 HG23 THR 11 -15.683 10.123 -16.160 88 H CYS 12 HN CYS 12 -12.389 9.310 -16.795 89 HA CYS 12 HA CYS 12 -10.452 11.216 -15.648 90 HB2 CYS 12 HB2 CYS 12 -11.934 8.856 -14.574 91 HB3 CYS 12 HB1 CYS 12 -10.368 9.265 -13.875 92 HG CYS 12 HG CYS 12 -12.128 11.726 -14.050 93 H GLY 13 HN GLY 13 -10.088 9.738 -18.173 94 HA2 GLY 13 HA2 GLY 13 -8.721 7.587 -18.562 95 HA3 GLY 13 HA1 GLY 13 -7.946 9.095 -19.037 96 H GLY 14 HN GLY 14 -7.174 10.220 -16.717 97 HA2 GLY 14 HA2 GLY 14 -4.852 8.766 -16.008 98 HA3 GLY 14 HA1 GLY 14 -5.454 10.205 -15.189 99 H CYS 15 HN CYS 15 -7.811 9.497 -14.148 100 HA CYS 15 HA CYS 15 -7.046 7.623 -12.061 101 HB2 CYS 15 HB2 CYS 15 -8.696 9.911 -12.207 102 HB3 CYS 15 HB1 CYS 15 -9.756 8.555 -11.827 103 HG CYS 15 HG CYS 15 -8.282 9.774 -9.734 104 H ALA 16 HN ALA 16 -9.590 7.915 -14.544 105 HA ALA 16 HA ALA 16 -11.055 5.622 -13.924 106 HB1 ALA 16 HB1 ALA 16 -12.057 6.908 -15.572 107 HB2 ALA 16 HB2 ALA 16 -11.388 5.593 -16.537 108 HB3 ALA 16 HB3 ALA 16 -10.548 7.142 -16.455 109 H GLU 17 HN GLU 17 -7.987 5.969 -15.602 110 HA GLU 17 HA GLU 17 -7.830 3.386 -16.731 111 HB2 GLU 17 HB2 GLU 17 -6.226 4.857 -17.555 112 HB3 GLU 17 HB1 GLU 17 -5.815 5.466 -15.951 113 HG2 GLU 17 HG2 GLU 17 -5.341 2.569 -16.519 114 HG3 GLU 17 HG1 GLU 17 -4.226 3.745 -17.212 115 H ALA 18 HN ALA 18 -6.736 4.657 -13.593 116 HA ALA 18 HA ALA 18 -5.662 2.166 -12.686 117 HB1 ALA 18 HB1 ALA 18 -5.813 3.327 -10.414 118 HB2 ALA 18 HB2 ALA 18 -6.441 4.725 -11.286 119 HB3 ALA 18 HB3 ALA 18 -4.820 4.125 -11.635 120 H VAL 19 HN VAL 19 -8.794 3.679 -12.653 121 HA VAL 19 HA VAL 19 -10.039 2.147 -10.638 122 HB VAL 19 HB VAL 19 -11.104 3.566 -13.081 123 HG11 VAL 19 HG11 VAL 19 -12.778 1.971 -12.777 124 HG12 VAL 19 HG12 VAL 19 -13.325 3.260 -11.705 125 HG13 VAL 19 HG13 VAL 19 -12.493 1.854 -11.040 126 HG21 VAL 19 HG21 VAL 19 -12.158 4.819 -10.947 127 HG22 VAL 19 HG22 VAL 19 -10.569 5.237 -11.587 128 HG23 VAL 19 HG23 VAL 19 -10.703 4.177 -10.186 129 H SER 20 HN SER 20 -9.512 1.599 -14.073 130 HA SER 20 HA SER 20 -11.167 -0.611 -14.480 131 HB2 SER 20 HB2 SER 20 -8.535 0.157 -15.738 132 HB3 SER 20 HB1 SER 20 -9.496 -1.212 -16.288 133 HG SER 20 HG SER 20 -9.898 1.491 -16.600 134 H ARG 21 HN ARG 21 -7.928 -0.421 -13.085 135 HA ARG 21 HA ARG 21 -7.274 -3.145 -13.078 136 HB2 ARG 21 HB2 ARG 21 -6.558 -0.887 -11.208 137 HB3 ARG 21 HB1 ARG 21 -5.920 -2.518 -10.997 138 HG2 ARG 21 HG2 ARG 21 -4.991 -2.470 -13.273 139 HG3 ARG 21 HG1 ARG 21 -5.652 -0.853 -13.518 140 HD2 ARG 21 HD2 ARG 21 -3.916 0.101 -12.447 141 HD3 ARG 21 HD1 ARG 21 -4.100 -0.980 -11.069 142 HE ARG 21 HE ARG 21 -2.840 -2.185 -13.390 143 HH11 ARG 21 HH21 ARG 21 -2.458 -0.417 -10.440 144 HH12 ARG 21 HH22 ARG 21 -0.818 -0.918 -10.192 145 HH21 ARG 21 HH11 ARG 21 -0.692 -2.846 -13.071 146 HH22 ARG 21 HH12 ARG 21 0.181 -2.295 -11.681 147 H VAL 22 HN VAL 22 -9.211 -1.225 -10.850 148 HA VAL 22 HA VAL 22 -9.583 -3.083 -8.795 149 HB VAL 22 HB VAL 22 -11.755 -1.218 -9.733 150 HG11 VAL 22 HG11 VAL 22 -11.639 -2.922 -7.618 151 HG12 VAL 22 HG12 VAL 22 -12.552 -1.413 -7.603 152 HG13 VAL 22 HG13 VAL 22 -10.936 -1.474 -6.898 153 HG21 VAL 22 HG21 VAL 22 -9.790 0.148 -9.830 154 HG22 VAL 22 HG22 VAL 22 -9.141 -0.563 -8.353 155 HG23 VAL 22 HG23 VAL 22 -10.550 0.495 -8.279 156 H LEU 23 HN LEU 23 -10.755 -3.080 -12.021 157 HA LEU 23 HA LEU 23 -13.157 -4.496 -11.766 158 HB2 LEU 23 HB2 LEU 23 -12.152 -3.416 -13.866 159 HB3 LEU 23 HB1 LEU 23 -11.207 -4.893 -14.033 160 HG LEU 23 HG LEU 23 -14.071 -5.364 -13.533 161 HD11 LEU 23 HD11 LEU 23 -14.574 -4.842 -15.994 162 HD12 LEU 23 HD12 LEU 23 -13.107 -3.862 -15.973 163 HD13 LEU 23 HD13 LEU 23 -14.454 -3.456 -14.908 164 HD21 LEU 23 HD21 LEU 23 -13.677 -6.918 -15.473 165 HD22 LEU 23 HD22 LEU 23 -12.561 -7.170 -14.131 166 HD23 LEU 23 HD23 LEU 23 -12.028 -6.302 -15.570 167 H ASN 24 HN ASN 24 -9.818 -5.599 -11.760 168 HA ASN 24 HA ASN 24 -10.186 -8.331 -12.151 169 HB2 ASN 24 HB2 ASN 24 -8.237 -7.326 -10.104 170 HB3 ASN 24 HB1 ASN 24 -8.038 -8.611 -11.295 171 HD21 ASN 24 HD21 ASN 24 -9.377 -6.612 -13.314 172 HD22 ASN 24 HD22 ASN 24 -8.080 -5.619 -13.773 173 H LYS 25 HN LYS 25 -10.698 -6.360 -9.276 174 HA LYS 25 HA LYS 25 -11.008 -8.508 -7.439 175 HB2 LYS 25 HB2 LYS 25 -12.136 -5.702 -7.313 176 HB3 LYS 25 HB1 LYS 25 -12.001 -6.826 -5.960 177 HG2 LYS 25 HG2 LYS 25 -9.479 -6.927 -6.576 178 HG3 LYS 25 HG1 LYS 25 -9.795 -5.451 -7.486 179 HD2 LYS 25 HD2 LYS 25 -11.030 -4.874 -5.118 180 HD3 LYS 25 HD1 LYS 25 -9.686 -5.873 -4.565 181 HE2 LYS 25 HE2 LYS 25 -8.095 -4.446 -5.773 182 HE3 LYS 25 HE1 LYS 25 -9.425 -3.461 -6.384 183 HZ1 LYS 25 HZ1 LYS 25 -9.216 -2.252 -4.554 184 HZ2 LYS 25 HZ2 LYS 25 -8.116 -3.348 -3.865 185 HZ3 LYS 25 HZ3 LYS 25 -9.787 -3.577 -3.662 186 H LEU 26 HN LEU 26 -13.364 -6.600 -9.326 187 HA LEU 26 HA LEU 26 -15.610 -8.100 -8.318 188 HB2 LEU 26 HB2 LEU 26 -15.431 -5.642 -9.321 189 HB3 LEU 26 HB1 LEU 26 -15.774 -6.496 -10.825 190 HG LEU 26 HG LEU 26 -17.883 -5.841 -9.889 191 HD11 LEU 26 HD11 LEU 26 -17.601 -8.720 -9.036 192 HD12 LEU 26 HD12 LEU 26 -17.512 -8.262 -10.737 193 HD13 LEU 26 HD13 LEU 26 -18.976 -7.934 -9.811 194 HD21 LEU 26 HD21 LEU 26 -18.367 -5.830 -7.654 195 HD22 LEU 26 HD22 LEU 26 -16.615 -5.917 -7.473 196 HD23 LEU 26 HD23 LEU 26 -17.584 -7.387 -7.380 197 H GLY 27 HN GLY 27 -13.692 -8.016 -11.288 198 HA2 GLY 27 HA2 GLY 27 -15.207 -10.305 -12.346 199 HA3 GLY 27 HA1 GLY 27 -14.129 -9.269 -13.275 200 H GLY 28 HN GLY 28 -11.786 -9.272 -12.144 201 HA2 GLY 28 HA2 GLY 28 -9.863 -10.478 -11.737 202 HA3 GLY 28 HA1 GLY 28 -10.881 -11.705 -10.985 203 H VAL 29 HN VAL 29 -11.107 -10.509 -14.291 204 HA VAL 29 HA VAL 29 -10.243 -13.154 -15.289 205 HB VAL 29 HB VAL 29 -12.331 -11.580 -16.730 206 HG11 VAL 29 HG11 VAL 29 -11.123 -14.164 -16.944 207 HG12 VAL 29 HG12 VAL 29 -12.388 -13.474 -17.954 208 HG13 VAL 29 HG13 VAL 29 -12.817 -14.401 -16.519 209 HG21 VAL 29 HG21 VAL 29 -12.620 -12.914 -14.083 210 HG22 VAL 29 HG22 VAL 29 -13.892 -13.213 -15.267 211 HG23 VAL 29 HG23 VAL 29 -13.525 -11.562 -14.766 212 H LYS 30 HN LYS 30 -10.381 -12.706 -17.928 213 HA LYS 30 HA LYS 30 -8.100 -10.963 -18.361 214 HB2 LYS 30 HB2 LYS 30 -8.702 -13.356 -19.405 215 HB3 LYS 30 HB1 LYS 30 -9.435 -12.328 -20.637 216 HG2 LYS 30 HG2 LYS 30 -7.123 -11.024 -20.416 217 HG3 LYS 30 HG1 LYS 30 -6.560 -12.598 -19.858 218 HD2 LYS 30 HD2 LYS 30 -6.321 -13.103 -22.052 219 HD3 LYS 30 HD1 LYS 30 -8.078 -13.253 -22.075 220 HE2 LYS 30 HE2 LYS 30 -8.134 -10.726 -22.510 221 HE3 LYS 30 HE1 LYS 30 -6.406 -10.856 -22.841 222 HZ1 LYS 30 HZ1 LYS 30 -7.413 -12.883 -24.286 223 HZ2 LYS 30 HZ2 LYS 30 -7.077 -11.336 -24.902 224 HZ3 LYS 30 HZ3 LYS 30 -8.656 -11.736 -24.419 225 H TYR 31 HN TYR 31 -8.073 -9.103 -19.513 226 HA TYR 31 HA TYR 31 -10.462 -8.227 -20.941 227 HB2 TYR 31 HB2 TYR 31 -10.657 -6.138 -19.730 228 HB3 TYR 31 HB1 TYR 31 -10.773 -7.473 -18.584 229 HD1 TYR 31 HD2 TYR 31 -8.859 -8.042 -17.112 230 HD2 TYR 31 HD1 TYR 31 -8.768 -4.633 -19.724 231 HE1 TYR 31 HE2 TYR 31 -6.923 -7.130 -15.857 232 HE2 TYR 31 HE1 TYR 31 -6.833 -3.723 -18.469 233 HH TYR 31 HH TYR 31 -5.126 -4.372 -17.002 234 H ASP 32 HN ASP 32 -10.086 -6.218 -22.162 235 HA ASP 32 HA ASP 32 -7.243 -5.633 -22.657 236 HB2 ASP 32 HB2 ASP 32 -8.672 -7.269 -24.337 237 HB3 ASP 32 HB1 ASP 32 -8.897 -5.687 -25.082 238 H ILE 33 HN ILE 33 -6.857 -3.510 -22.788 239 HA ILE 33 HA ILE 33 -9.163 -1.701 -23.182 240 HB ILE 33 HB ILE 33 -7.409 -0.104 -21.965 241 HG12 ILE 33 HG12 ILE 33 -6.760 -2.869 -20.894 242 HG13 ILE 33 HG11 ILE 33 -5.675 -1.893 -21.883 243 HG21 ILE 33 HG21 ILE 33 -9.493 -0.321 -20.942 244 HG22 ILE 33 HG22 ILE 33 -8.448 -1.097 -19.751 245 HG23 ILE 33 HG23 ILE 33 -9.389 -2.080 -20.874 246 HD11 ILE 33 HD11 ILE 33 -6.734 -0.394 -19.611 247 HD12 ILE 33 HD12 ILE 33 -5.060 -0.621 -20.119 248 HD13 ILE 33 HD13 ILE 33 -5.845 -1.831 -19.104 249 H ASP 34 HN ASP 34 -9.121 -0.863 -25.179 250 HA ASP 34 HA ASP 34 -6.498 -0.163 -26.356 251 HB2 ASP 34 HB2 ASP 34 -8.361 -1.821 -27.432 252 HB3 ASP 34 HB1 ASP 34 -8.866 -0.278 -28.120 253 H LEU 35 HN LEU 35 -6.205 1.921 -25.757 254 HA LEU 35 HA LEU 35 -8.195 3.875 -25.433 255 HB2 LEU 35 HB2 LEU 35 -5.428 3.725 -25.104 256 HB3 LEU 35 HB1 LEU 35 -5.660 4.988 -26.312 257 HG LEU 35 HG LEU 35 -7.169 4.869 -23.686 258 HD11 LEU 35 HD11 LEU 35 -4.841 5.254 -23.171 259 HD12 LEU 35 HD12 LEU 35 -5.664 6.812 -23.086 260 HD13 LEU 35 HD13 LEU 35 -4.686 6.406 -24.497 261 HD21 LEU 35 HD21 LEU 35 -7.703 6.240 -26.048 262 HD22 LEU 35 HD22 LEU 35 -6.852 7.431 -25.065 263 HD23 LEU 35 HD23 LEU 35 -8.317 6.666 -24.451 264 HA PRO 36 HA PRO 36 -6.771 5.216 -29.983 265 HB2 PRO 36 HB2 PRO 36 -6.617 2.434 -31.041 266 HB3 PRO 36 HB1 PRO 36 -5.627 3.851 -31.436 267 HG2 PRO 36 HG2 PRO 36 -4.696 1.881 -29.903 268 HG3 PRO 36 HG1 PRO 36 -4.263 3.575 -29.613 269 HD2 PRO 36 HD2 PRO 36 -6.138 1.822 -28.084 270 HD3 PRO 36 HD1 PRO 36 -5.112 3.156 -27.508 271 H ASN 37 HN ASN 37 -8.818 2.499 -29.097 272 HA ASN 37 HA ASN 37 -10.759 3.274 -31.181 273 HB2 ASN 37 HB2 ASN 37 -10.102 0.737 -29.797 274 HB3 ASN 37 HB1 ASN 37 -11.806 1.017 -30.150 275 HD21 ASN 37 HD21 ASN 37 -8.736 0.174 -31.554 276 HD22 ASN 37 HD22 ASN 37 -9.266 0.098 -33.166 277 H LYS 38 HN LYS 38 -10.101 3.835 -27.985 278 HA LYS 38 HA LYS 38 -11.317 4.586 -26.183 279 HB2 LYS 38 HB2 LYS 38 -13.487 5.381 -28.104 280 HB3 LYS 38 HB1 LYS 38 -12.915 6.223 -26.664 281 HG2 LYS 38 HG2 LYS 38 -10.761 6.678 -27.800 282 HG3 LYS 38 HG1 LYS 38 -11.372 5.884 -29.251 283 HD2 LYS 38 HD2 LYS 38 -12.976 7.559 -29.645 284 HD3 LYS 38 HD1 LYS 38 -12.902 8.149 -27.985 285 HE2 LYS 38 HE2 LYS 38 -11.680 9.772 -29.164 286 HE3 LYS 38 HE1 LYS 38 -10.418 8.710 -28.544 287 HZ1 LYS 38 HZ1 LYS 38 -11.141 7.559 -30.899 288 HZ2 LYS 38 HZ2 LYS 38 -9.771 8.533 -30.649 289 HZ3 LYS 38 HZ3 LYS 38 -11.205 9.217 -31.250 290 H LYS 39 HN LYS 39 -11.665 1.852 -26.895 291 HA LYS 39 HA LYS 39 -14.313 1.392 -25.703 292 HB2 LYS 39 HB2 LYS 39 -13.274 0.277 -28.286 293 HB3 LYS 39 HB1 LYS 39 -14.339 -0.709 -27.283 294 HG2 LYS 39 HG2 LYS 39 -16.106 0.879 -27.408 295 HG3 LYS 39 HG1 LYS 39 -15.035 2.136 -28.028 296 HD2 LYS 39 HD2 LYS 39 -15.083 1.315 -30.170 297 HD3 LYS 39 HD1 LYS 39 -15.216 -0.360 -29.635 298 HE2 LYS 39 HE2 LYS 39 -17.546 -0.152 -29.208 299 HE3 LYS 39 HE1 LYS 39 -17.481 1.609 -29.283 300 HZ1 LYS 39 HZ1 LYS 39 -18.100 1.351 -31.393 301 HZ2 LYS 39 HZ2 LYS 39 -17.726 -0.307 -31.407 302 HZ3 LYS 39 HZ3 LYS 39 -16.509 0.843 -31.692 303 H VAL 40 HN VAL 40 -14.436 -0.630 -24.508 304 HA VAL 40 HA VAL 40 -11.790 -1.860 -24.026 305 HB VAL 40 HB VAL 40 -13.808 -0.976 -21.963 306 HG11 VAL 40 HG11 VAL 40 -12.045 -1.920 -20.367 307 HG12 VAL 40 HG12 VAL 40 -11.374 -2.760 -21.765 308 HG13 VAL 40 HG13 VAL 40 -13.019 -3.109 -21.232 309 HG21 VAL 40 HG21 VAL 40 -11.699 0.202 -21.102 310 HG22 VAL 40 HG22 VAL 40 -12.403 0.851 -22.582 311 HG23 VAL 40 HG23 VAL 40 -10.975 -0.182 -22.664 312 H CYS 41 HN CYS 41 -11.805 -3.994 -24.245 313 HA CYS 41 HA CYS 41 -14.406 -5.385 -24.193 314 HB2 CYS 41 HB2 CYS 41 -12.933 -5.466 -26.280 315 HB3 CYS 41 HB1 CYS 41 -11.829 -6.464 -25.332 316 HG CYS 41 HG CYS 41 -14.762 -7.435 -25.397 317 H ILE 42 HN ILE 42 -14.817 -6.372 -22.331 318 HA ILE 42 HA ILE 42 -12.578 -7.697 -20.928 319 HB ILE 42 HB ILE 42 -13.279 -5.775 -19.637 320 HG12 ILE 42 HG12 ILE 42 -13.084 -8.313 -18.684 321 HG13 ILE 42 HG11 ILE 42 -13.341 -6.909 -17.649 322 HG21 ILE 42 HG21 ILE 42 -15.661 -5.652 -18.832 323 HG22 ILE 42 HG22 ILE 42 -16.054 -6.953 -19.956 324 HG23 ILE 42 HG23 ILE 42 -15.483 -5.402 -20.569 325 HD11 ILE 42 HD11 ILE 42 -14.935 -8.919 -17.337 326 HD12 ILE 42 HD12 ILE 42 -15.665 -8.410 -18.859 327 HD13 ILE 42 HD13 ILE 42 -15.666 -7.320 -17.474 328 H GLU 43 HN GLU 43 -12.862 -9.790 -20.360 329 HA GLU 43 HA GLU 43 -15.480 -11.001 -21.016 330 HB2 GLU 43 HB2 GLU 43 -13.663 -11.888 -22.370 331 HB3 GLU 43 HB1 GLU 43 -12.707 -12.214 -20.925 332 HG2 GLU 43 HG2 GLU 43 -15.318 -13.413 -20.653 333 HG3 GLU 43 HG1 GLU 43 -14.577 -13.935 -22.165 334 H SER 44 HN SER 44 -16.679 -11.456 -19.276 335 HA SER 44 HA SER 44 -15.285 -12.371 -16.836 336 HB2 SER 44 HB2 SER 44 -16.008 -10.449 -15.899 337 HB3 SER 44 HB1 SER 44 -17.147 -10.135 -17.206 338 HG SER 44 HG SER 44 -17.452 -11.751 -14.908 339 H GLU 45 HN GLU 45 -16.682 -13.612 -15.365 340 HA GLU 45 HA GLU 45 -18.137 -15.621 -16.826 341 HB2 GLU 45 HB2 GLU 45 -17.968 -15.386 -13.829 342 HB3 GLU 45 HB1 GLU 45 -18.111 -16.839 -14.815 343 HG2 GLU 45 HG2 GLU 45 -15.793 -15.694 -15.783 344 HG3 GLU 45 HG1 GLU 45 -15.710 -15.331 -14.059 345 H HIS 46 HN HIS 46 -18.935 -12.645 -15.481 346 HA HIS 46 HA HIS 46 -21.761 -13.442 -15.132 347 HB2 HIS 46 HB2 HIS 46 -20.349 -12.341 -13.203 348 HB3 HIS 46 HB1 HIS 46 -20.675 -10.853 -14.093 349 HD1 HIS 46 HD1 HIS 46 -23.546 -12.319 -15.032 350 HD2 HIS 46 HD2 HIS 46 -22.237 -11.279 -11.212 351 HE1 HIS 46 HE1 HIS 46 -25.621 -12.110 -13.597 352 H SER 47 HN SER 47 -19.731 -10.720 -16.181 353 HA SER 47 HA SER 47 -19.963 -9.220 -17.906 354 HB2 SER 47 HB2 SER 47 -22.079 -11.096 -18.973 355 HB3 SER 47 HB1 SER 47 -21.173 -9.888 -19.877 356 HG SER 47 HG SER 47 -20.483 -12.266 -19.798 357 H MET 48 HN MET 48 -21.109 -8.336 -15.741 358 HA MET 48 HA MET 48 -22.885 -6.413 -16.395 359 HB2 MET 48 HB2 MET 48 -24.229 -9.021 -16.335 360 HB3 MET 48 HB1 MET 48 -24.996 -7.823 -15.294 361 HG2 MET 48 HG2 MET 48 -24.187 -6.984 -18.051 362 HG3 MET 48 HG1 MET 48 -25.626 -7.987 -17.869 363 HE1 MET 48 HE1 MET 48 -23.912 -4.722 -17.545 364 HE2 MET 48 HE2 MET 48 -25.279 -3.613 -17.466 365 HE3 MET 48 HE3 MET 48 -25.137 -4.731 -18.821 366 H ASP 49 HN ASP 49 -21.053 -6.223 -14.688 367 HA ASP 49 HA ASP 49 -22.090 -5.303 -12.310 368 HB2 ASP 49 HB2 ASP 49 -21.003 -7.331 -10.902 369 HB3 ASP 49 HB1 ASP 49 -22.716 -7.257 -11.314 370 H THR 50 HN THR 50 -19.471 -6.877 -13.974 371 HA THR 50 HA THR 50 -17.405 -5.832 -12.253 372 HB THR 50 HB THR 50 -16.669 -7.776 -13.252 373 HG1 THR 50 HG1 THR 50 -15.411 -7.037 -15.204 374 HG21 THR 50 HG21 THR 50 -18.367 -6.873 -15.551 375 HG22 THR 50 HG22 THR 50 -18.355 -8.425 -14.712 376 HG23 THR 50 HG23 THR 50 -17.072 -8.028 -15.855 377 H LEU 51 HN LEU 51 -18.571 -5.111 -15.553 378 HA LEU 51 HA LEU 51 -16.739 -2.995 -15.996 379 HB2 LEU 51 HB2 LEU 51 -18.520 -2.359 -17.777 380 HB3 LEU 51 HB1 LEU 51 -17.635 -3.873 -17.950 381 HG LEU 51 HG LEU 51 -19.980 -4.241 -16.281 382 HD11 LEU 51 HD11 LEU 51 -20.362 -3.050 -19.042 383 HD12 LEU 51 HD12 LEU 51 -21.006 -2.442 -17.515 384 HD13 LEU 51 HD13 LEU 51 -21.619 -3.951 -18.192 385 HD21 LEU 51 HD21 LEU 51 -19.336 -5.350 -19.028 386 HD22 LEU 51 HD22 LEU 51 -20.351 -6.089 -17.788 387 HD23 LEU 51 HD23 LEU 51 -18.609 -5.962 -17.542 388 H LEU 52 HN LEU 52 -20.233 -2.873 -15.265 389 HA LEU 52 HA LEU 52 -20.438 -0.103 -15.093 390 HB2 LEU 52 HB2 LEU 52 -22.495 -0.581 -13.737 391 HB3 LEU 52 HB1 LEU 52 -22.410 -1.425 -15.279 392 HG LEU 52 HG LEU 52 -21.112 -3.133 -13.488 393 HD11 LEU 52 HD11 LEU 52 -23.733 -2.340 -12.228 394 HD12 LEU 52 HD12 LEU 52 -22.230 -1.552 -11.748 395 HD13 LEU 52 HD13 LEU 52 -22.420 -3.291 -11.535 396 HD21 LEU 52 HD21 LEU 52 -22.452 -4.145 -15.097 397 HD22 LEU 52 HD22 LEU 52 -23.797 -3.035 -14.829 398 HD23 LEU 52 HD23 LEU 52 -23.473 -4.323 -13.672 399 H ALA 53 HN ALA 53 -19.907 -2.421 -12.416 400 HA ALA 53 HA ALA 53 -19.909 -0.450 -10.389 401 HB1 ALA 53 HB1 ALA 53 -18.366 -3.027 -10.213 402 HB2 ALA 53 HB2 ALA 53 -20.129 -3.007 -10.180 403 HB3 ALA 53 HB3 ALA 53 -19.214 -2.158 -8.933 404 H THR 54 HN THR 54 -17.203 -2.006 -12.102 405 HA THR 54 HA THR 54 -15.182 -0.595 -10.693 406 HB THR 54 HB THR 54 -15.099 -1.993 -13.368 407 HG1 THR 54 HG1 THR 54 -15.186 -3.653 -12.110 408 HG21 THR 54 HG21 THR 54 -13.136 -0.420 -11.872 409 HG22 THR 54 HG22 THR 54 -13.087 -0.988 -13.541 410 HG23 THR 54 HG23 THR 54 -12.580 -2.052 -12.230 411 H LEU 55 HN LEU 55 -16.478 -0.121 -14.000 412 HA LEU 55 HA LEU 55 -14.855 2.117 -14.560 413 HB2 LEU 55 HB2 LEU 55 -17.407 1.057 -15.746 414 HB3 LEU 55 HB1 LEU 55 -16.707 2.567 -16.308 415 HG LEU 55 HG LEU 55 -14.501 0.935 -16.299 416 HD11 LEU 55 HD11 LEU 55 -15.272 -1.159 -17.460 417 HD12 LEU 55 HD12 LEU 55 -16.926 -0.733 -17.017 418 HD13 LEU 55 HD13 LEU 55 -15.733 -1.071 -15.760 419 HD21 LEU 55 HD21 LEU 55 -14.679 0.999 -18.684 420 HD22 LEU 55 HD22 LEU 55 -15.447 2.473 -18.096 421 HD23 LEU 55 HD23 LEU 55 -16.438 1.110 -18.617 422 H LYS 56 HN LYS 56 -18.190 1.929 -13.310 423 HA LYS 56 HA LYS 56 -18.735 4.679 -13.354 424 HB2 LYS 56 HB2 LYS 56 -19.761 2.469 -11.573 425 HB3 LYS 56 HB1 LYS 56 -20.366 4.122 -11.490 426 HG2 LYS 56 HG2 LYS 56 -20.340 2.415 -13.997 427 HG3 LYS 56 HG1 LYS 56 -21.758 2.712 -12.987 428 HD2 LYS 56 HD2 LYS 56 -20.936 5.259 -13.389 429 HD3 LYS 56 HD1 LYS 56 -20.378 4.519 -14.890 430 HE2 LYS 56 HE2 LYS 56 -23.165 4.859 -13.864 431 HE3 LYS 56 HE1 LYS 56 -22.545 5.039 -15.506 432 HZ1 LYS 56 HZ1 LYS 56 -23.579 3.052 -15.726 433 HZ2 LYS 56 HZ2 LYS 56 -23.399 2.636 -14.088 434 HZ3 LYS 56 HZ3 LYS 56 -22.089 2.475 -15.157 435 H LYS 57 HN LYS 57 -16.839 2.770 -11.121 436 HA LYS 57 HA LYS 57 -16.795 4.222 -8.819 437 HB2 LYS 57 HB2 LYS 57 -15.113 2.325 -10.000 438 HB3 LYS 57 HB1 LYS 57 -14.059 3.687 -9.628 439 HG2 LYS 57 HG2 LYS 57 -14.947 3.705 -7.307 440 HG3 LYS 57 HG1 LYS 57 -15.944 2.302 -7.694 441 HD2 LYS 57 HD2 LYS 57 -13.862 1.051 -8.296 442 HD3 LYS 57 HD1 LYS 57 -12.916 2.435 -7.743 443 HE2 LYS 57 HE2 LYS 57 -14.884 1.687 -5.752 444 HE3 LYS 57 HE1 LYS 57 -13.868 0.308 -6.169 445 HZ1 LYS 57 HZ1 LYS 57 -12.718 1.421 -4.492 446 HZ2 LYS 57 HZ2 LYS 57 -13.039 2.956 -5.149 447 HZ3 LYS 57 HZ3 LYS 57 -11.941 1.911 -5.918 448 H THR 58 HN THR 58 -15.020 5.030 -11.804 449 HA THR 58 HA THR 58 -14.068 7.525 -10.654 450 HB THR 58 HB THR 58 -13.737 7.335 -13.519 451 HG1 THR 58 HG1 THR 58 -12.228 5.352 -12.696 452 HG21 THR 58 HG21 THR 58 -12.337 8.601 -11.869 453 HG22 THR 58 HG22 THR 58 -11.394 7.542 -12.917 454 HG23 THR 58 HG23 THR 58 -11.741 7.059 -11.259 455 H GLY 59 HN GLY 59 -16.873 6.433 -12.176 456 HA2 GLY 59 HA2 GLY 59 -18.812 7.767 -12.431 457 HA3 GLY 59 HA1 GLY 59 -17.789 9.195 -12.550 458 H ALA 60 HN ALA 60 -16.712 6.529 -14.393 459 HA ALA 60 HA ALA 60 -17.203 7.950 -16.859 460 HB1 ALA 60 HB1 ALA 60 -15.297 6.144 -16.011 461 HB2 ALA 60 HB2 ALA 60 -15.541 6.669 -17.677 462 HB3 ALA 60 HB3 ALA 60 -16.292 5.181 -17.102 463 H THR 61 HN THR 61 -18.823 7.658 -18.254 464 HA THR 61 HA THR 61 -21.005 5.913 -17.584 465 HB THR 61 HB THR 61 -21.645 6.765 -20.052 466 HG1 THR 61 HG1 THR 61 -19.339 7.978 -19.449 467 HG21 THR 61 HG21 THR 61 -21.683 8.330 -17.462 468 HG22 THR 61 HG22 THR 61 -22.953 7.287 -18.101 469 HG23 THR 61 HG23 THR 61 -22.578 8.813 -18.902 470 H VAL 62 HN VAL 62 -20.931 3.786 -17.954 471 HA VAL 62 HA VAL 62 -19.504 2.811 -20.353 472 HB VAL 62 HB VAL 62 -18.676 1.932 -18.198 473 HG11 VAL 62 HG11 VAL 62 -20.160 1.498 -16.562 474 HG12 VAL 62 HG12 VAL 62 -20.776 0.148 -17.514 475 HG13 VAL 62 HG13 VAL 62 -21.503 1.746 -17.676 476 HG21 VAL 62 HG21 VAL 62 -20.059 -0.447 -19.275 477 HG22 VAL 62 HG22 VAL 62 -18.332 -0.126 -19.116 478 HG23 VAL 62 HG23 VAL 62 -19.229 0.528 -20.487 479 H SER 63 HN SER 63 -20.511 1.392 -21.762 480 HA SER 63 HA SER 63 -23.351 0.782 -21.281 481 HB2 SER 63 HB2 SER 63 -23.214 2.833 -22.677 482 HB3 SER 63 HB1 SER 63 -22.270 1.936 -23.862 483 HG SER 63 HG SER 63 -24.012 0.849 -24.443 484 H TYR 64 HN TYR 64 -23.745 -1.307 -21.622 485 HA TYR 64 HA TYR 64 -21.736 -2.959 -22.917 486 HB2 TYR 64 HB2 TYR 64 -22.720 -4.750 -21.861 487 HB3 TYR 64 HB1 TYR 64 -23.227 -3.458 -20.773 488 HD1 TYR 64 HD2 TYR 64 -25.521 -2.483 -20.970 489 HD2 TYR 64 HD1 TYR 64 -24.303 -5.923 -23.235 490 HE1 TYR 64 HE2 TYR 64 -27.896 -3.007 -21.451 491 HE2 TYR 64 HE1 TYR 64 -26.679 -6.447 -23.717 492 HH TYR 64 HH TYR 64 -28.790 -5.854 -23.408 493 H LEU 65 HN LEU 65 -21.908 -3.915 -24.864 494 HA LEU 65 HA LEU 65 -24.208 -3.145 -26.532 495 HB2 LEU 65 HB2 LEU 65 -21.451 -4.151 -27.273 496 HB3 LEU 65 HB1 LEU 65 -22.723 -3.767 -28.432 497 HG LEU 65 HG LEU 65 -21.488 -1.837 -26.444 498 HD11 LEU 65 HD11 LEU 65 -20.677 -2.678 -29.044 499 HD12 LEU 65 HD12 LEU 65 -19.998 -1.378 -28.065 500 HD13 LEU 65 HD13 LEU 65 -21.309 -1.038 -29.193 501 HD21 LEU 65 HD21 LEU 65 -23.593 -0.933 -26.662 502 HD22 LEU 65 HD22 LEU 65 -23.896 -1.746 -28.197 503 HD23 LEU 65 HD23 LEU 65 -22.895 -0.296 -28.150 504 H GLY 66 HN GLY 66 -22.618 -5.870 -25.101 505 HA2 GLY 66 HA2 GLY 66 -24.228 -7.812 -24.866 506 HA3 GLY 66 HA1 GLY 66 -24.362 -7.718 -26.620 507 H LEU 67 HN LEU 67 -23.624 -9.963 -26.589 508 HA LEU 67 HA LEU 67 -20.693 -10.169 -26.238 509 HB2 LEU 67 HB2 LEU 67 -22.773 -12.357 -25.995 510 HB3 LEU 67 HB1 LEU 67 -21.033 -12.563 -25.801 511 HG LEU 67 HG LEU 67 -21.325 -10.611 -24.035 512 HD11 LEU 67 HD11 LEU 67 -23.546 -11.004 -22.835 513 HD12 LEU 67 HD12 LEU 67 -24.081 -11.831 -24.297 514 HD13 LEU 67 HD13 LEU 67 -23.643 -10.124 -24.360 515 HD21 LEU 67 HD21 LEU 67 -21.638 -13.552 -23.876 516 HD22 LEU 67 HD22 LEU 67 -22.181 -12.663 -22.453 517 HD23 LEU 67 HD23 LEU 67 -20.519 -12.491 -23.018 518 H GLU 68 HN GLU 68 -19.498 -11.146 -27.852 519 HA GLU 68 HA GLU 68 -20.745 -11.183 -30.479 520 HB2 GLU 68 HB2 GLU 68 -18.077 -10.826 -29.419 521 HB3 GLU 68 HB1 GLU 68 -18.076 -12.047 -30.691 522 HG2 GLU 68 HG2 GLU 68 -17.768 -9.962 -31.806 523 HG3 GLU 68 HG1 GLU 68 -19.453 -10.402 -32.079 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -17.863 -18.638 -19.807 2 H2 MET 1 HT2 MET 1 -16.508 -19.660 -19.731 3 H3 MET 1 HT3 MET 1 -17.212 -19.288 -21.231 4 HA MET 1 HA MET 1 -16.247 -17.075 -19.578 5 HB2 MET 1 HB2 MET 1 -14.588 -19.245 -20.091 6 HB3 MET 1 HB1 MET 1 -14.219 -18.132 -21.408 7 HG2 MET 1 HG2 MET 1 -13.795 -16.330 -19.810 8 HG3 MET 1 HG1 MET 1 -14.251 -17.382 -18.470 9 HE1 MET 1 HE1 MET 1 -11.657 -19.905 -18.017 10 HE2 MET 1 HE2 MET 1 -12.729 -20.301 -19.357 11 HE3 MET 1 HE3 MET 1 -13.365 -19.452 -17.950 12 HA PRO 2 HA PRO 2 -17.793 -16.317 -23.943 13 HB2 PRO 2 HB2 PRO 2 -19.952 -14.778 -23.291 14 HB3 PRO 2 HB1 PRO 2 -20.025 -16.544 -23.430 15 HG2 PRO 2 HG2 PRO 2 -19.892 -14.839 -21.003 16 HG3 PRO 2 HG1 PRO 2 -20.762 -16.357 -21.275 17 HD2 PRO 2 HD2 PRO 2 -18.366 -16.168 -19.901 18 HD3 PRO 2 HD1 PRO 2 -18.951 -17.647 -20.691 19 H LYS 3 HN LYS 3 -17.772 -14.285 -25.092 20 HA LYS 3 HA LYS 3 -16.158 -12.253 -23.735 21 HB2 LYS 3 HB2 LYS 3 -16.948 -12.414 -26.652 22 HB3 LYS 3 HB1 LYS 3 -15.684 -11.407 -25.945 23 HG2 LYS 3 HG2 LYS 3 -14.835 -13.788 -25.054 24 HG3 LYS 3 HG1 LYS 3 -15.685 -14.336 -26.498 25 HD2 LYS 3 HD2 LYS 3 -13.473 -12.269 -26.373 26 HD3 LYS 3 HD1 LYS 3 -13.382 -13.872 -27.104 27 HE2 LYS 3 HE2 LYS 3 -14.937 -11.467 -28.050 28 HE3 LYS 3 HE1 LYS 3 -13.766 -12.438 -28.941 29 HZ1 LYS 3 HZ1 LYS 3 -15.300 -14.291 -28.895 30 HZ2 LYS 3 HZ2 LYS 3 -16.041 -12.936 -29.602 31 HZ3 LYS 3 HZ3 LYS 3 -16.423 -13.380 -28.008 32 H HIS 4 HN HIS 4 -16.902 -10.276 -23.187 33 HA HIS 4 HA HIS 4 -19.667 -9.612 -24.004 34 HB2 HIS 4 HB2 HIS 4 -19.343 -10.079 -21.574 35 HB3 HIS 4 HB1 HIS 4 -18.220 -8.721 -21.501 36 HD1 HIS 4 HD1 HIS 4 -21.862 -9.510 -22.138 37 HD2 HIS 4 HD2 HIS 4 -19.436 -6.185 -21.474 38 HE1 HIS 4 HE1 HIS 4 -23.421 -7.539 -21.812 39 H GLU 5 HN GLU 5 -20.119 -7.563 -24.734 40 HA GLU 5 HA GLU 5 -17.768 -5.918 -25.415 41 HB2 GLU 5 HB2 GLU 5 -20.525 -6.184 -26.608 42 HB3 GLU 5 HB1 GLU 5 -19.498 -4.798 -26.970 43 HG2 GLU 5 HG2 GLU 5 -17.706 -6.748 -27.413 44 HG3 GLU 5 HG1 GLU 5 -19.176 -7.655 -27.760 45 H PHE 6 HN PHE 6 -17.466 -3.999 -24.487 46 HA PHE 6 HA PHE 6 -19.745 -2.572 -23.317 47 HB2 PHE 6 HB2 PHE 6 -18.251 -4.125 -21.674 48 HB3 PHE 6 HB1 PHE 6 -17.311 -2.632 -21.627 49 HD1 PHE 6 HD1 PHE 6 -20.947 -3.587 -21.675 50 HD2 PHE 6 HD2 PHE 6 -17.865 -1.174 -19.912 51 HE1 PHE 6 HE1 PHE 6 -22.611 -2.588 -20.131 52 HE2 PHE 6 HE2 PHE 6 -19.530 -0.175 -18.371 53 HZ PHE 6 HZ PHE 6 -21.903 -0.882 -18.480 54 H SER 7 HN SER 7 -19.553 -0.377 -23.433 55 HA SER 7 HA SER 7 -16.992 0.685 -24.476 56 HB2 SER 7 HB2 SER 7 -19.522 0.700 -25.723 57 HB3 SER 7 HB1 SER 7 -19.244 2.348 -25.166 58 HG SER 7 HG SER 7 -17.733 2.545 -26.611 59 H VAL 8 HN VAL 8 -16.069 2.145 -23.188 60 HA VAL 8 HA VAL 8 -17.801 3.728 -21.392 61 HB VAL 8 HB VAL 8 -15.182 2.377 -20.715 62 HG11 VAL 8 HG11 VAL 8 -16.770 4.543 -19.349 63 HG12 VAL 8 HG12 VAL 8 -15.028 4.447 -19.610 64 HG13 VAL 8 HG13 VAL 8 -15.797 3.418 -18.401 65 HG21 VAL 8 HG21 VAL 8 -16.957 1.689 -18.787 66 HG22 VAL 8 HG22 VAL 8 -16.723 0.742 -20.254 67 HG23 VAL 8 HG23 VAL 8 -18.058 1.886 -20.149 68 H ASP 9 HN ASP 9 -17.528 5.848 -21.624 69 HA ASP 9 HA ASP 9 -15.392 6.895 -23.266 70 HB2 ASP 9 HB2 ASP 9 -17.941 7.729 -22.742 71 HB3 ASP 9 HB1 ASP 9 -17.011 8.791 -21.687 72 H MET 10 HN MET 10 -13.412 7.269 -22.485 73 HA MET 10 HA MET 10 -12.796 7.201 -19.719 74 HB2 MET 10 HB2 MET 10 -11.191 8.161 -22.097 75 HB3 MET 10 HB1 MET 10 -10.538 7.985 -20.467 76 HG2 MET 10 HG2 MET 10 -11.663 5.556 -20.728 77 HG3 MET 10 HG1 MET 10 -11.330 5.889 -22.427 78 HE1 MET 10 HE1 MET 10 -10.141 4.526 -19.250 79 HE2 MET 10 HE2 MET 10 -8.606 3.869 -19.810 80 HE3 MET 10 HE3 MET 10 -10.087 3.507 -20.696 81 H THR 11 HN THR 11 -13.235 8.706 -18.273 82 HA THR 11 HA THR 11 -13.281 11.541 -19.110 83 HB THR 11 HB THR 11 -14.439 10.733 -16.497 84 HG1 THR 11 HG1 THR 11 -16.115 9.709 -17.353 85 HG21 THR 11 HG21 THR 11 -15.209 12.588 -18.763 86 HG22 THR 11 HG22 THR 11 -14.572 13.040 -17.181 87 HG23 THR 11 HG23 THR 11 -16.191 12.355 -17.316 88 H CYS 12 HN CYS 12 -12.150 9.243 -16.704 89 HA CYS 12 HA CYS 12 -10.395 11.307 -15.538 90 HB2 CYS 12 HB2 CYS 12 -11.767 8.906 -14.461 91 HB3 CYS 12 HB1 CYS 12 -10.158 9.254 -13.826 92 HG CYS 12 HG CYS 12 -10.994 11.556 -12.992 93 H GLY 13 HN GLY 13 -9.823 10.047 -18.067 94 HA2 GLY 13 HA2 GLY 13 -8.324 8.040 -18.606 95 HA3 GLY 13 HA1 GLY 13 -7.576 9.617 -18.838 96 H GLY 14 HN GLY 14 -6.946 10.501 -16.415 97 HA2 GLY 14 HA2 GLY 14 -4.674 8.981 -15.668 98 HA3 GLY 14 HA1 GLY 14 -5.327 10.358 -14.784 99 H CYS 15 HN CYS 15 -7.719 9.632 -13.904 100 HA CYS 15 HA CYS 15 -7.109 7.605 -11.923 101 HB2 CYS 15 HB2 CYS 15 -8.860 9.846 -12.118 102 HB3 CYS 15 HB1 CYS 15 -9.843 8.416 -11.803 103 HG CYS 15 HG CYS 15 -8.774 9.548 -9.557 104 H ALA 16 HN ALA 16 -9.387 8.011 -14.621 105 HA ALA 16 HA ALA 16 -10.873 5.668 -14.309 106 HB1 ALA 16 HB1 ALA 16 -11.173 5.817 -16.819 107 HB2 ALA 16 HB2 ALA 16 -10.038 7.168 -16.799 108 HB3 ALA 16 HB3 ALA 16 -11.570 7.290 -15.933 109 H GLU 17 HN GLU 17 -7.669 6.193 -15.657 110 HA GLU 17 HA GLU 17 -7.341 3.677 -16.907 111 HB2 GLU 17 HB2 GLU 17 -5.771 5.373 -17.465 112 HB3 GLU 17 HB1 GLU 17 -5.375 5.668 -15.772 113 HG2 GLU 17 HG2 GLU 17 -4.972 2.892 -16.742 114 HG3 GLU 17 HG1 GLU 17 -3.865 4.105 -17.382 115 H ALA 18 HN ALA 18 -6.547 4.838 -13.643 116 HA ALA 18 HA ALA 18 -5.446 2.369 -12.741 117 HB1 ALA 18 HB1 ALA 18 -6.713 4.121 -10.729 118 HB2 ALA 18 HB2 ALA 18 -5.503 4.904 -11.745 119 HB3 ALA 18 HB3 ALA 18 -5.069 3.483 -10.796 120 H VAL 19 HN VAL 19 -8.660 3.683 -12.973 121 HA VAL 19 HA VAL 19 -10.003 1.976 -11.174 122 HB VAL 19 HB VAL 19 -10.834 3.587 -13.563 123 HG11 VAL 19 HG11 VAL 19 -12.497 1.529 -12.085 124 HG12 VAL 19 HG12 VAL 19 -12.182 1.604 -13.819 125 HG13 VAL 19 HG13 VAL 19 -13.198 2.827 -13.052 126 HG21 VAL 19 HG21 VAL 19 -12.154 4.753 -11.883 127 HG22 VAL 19 HG22 VAL 19 -10.505 4.586 -11.281 128 HG23 VAL 19 HG23 VAL 19 -11.775 3.521 -10.679 129 H SER 20 HN SER 20 -9.051 1.594 -14.549 130 HA SER 20 HA SER 20 -10.538 -0.675 -15.198 131 HB2 SER 20 HB2 SER 20 -8.737 -1.135 -16.855 132 HB3 SER 20 HB1 SER 20 -9.276 0.541 -16.881 133 HG SER 20 HG SER 20 -7.243 0.966 -16.574 134 H ARG 21 HN ARG 21 -7.393 -0.401 -13.566 135 HA ARG 21 HA ARG 21 -6.757 -3.129 -13.420 136 HB2 ARG 21 HB2 ARG 21 -6.185 -0.937 -11.408 137 HB3 ARG 21 HB1 ARG 21 -5.385 -2.508 -11.461 138 HG2 ARG 21 HG2 ARG 21 -4.570 -2.014 -13.742 139 HG3 ARG 21 HG1 ARG 21 -5.349 -0.433 -13.672 140 HD2 ARG 21 HD2 ARG 21 -3.063 -1.439 -11.969 141 HD3 ARG 21 HD1 ARG 21 -3.054 -0.078 -13.086 142 HE ARG 21 HE ARG 21 -5.006 0.531 -11.232 143 HH11 ARG 21 HH21 ARG 21 -1.641 -0.281 -11.195 144 HH12 ARG 21 HH22 ARG 21 -1.289 0.656 -9.781 145 HH21 ARG 21 HH11 ARG 21 -4.549 1.764 -9.381 146 HH22 ARG 21 HH12 ARG 21 -2.934 1.815 -8.757 147 H VAL 22 HN VAL 22 -8.753 -1.082 -11.358 148 HA VAL 22 HA VAL 22 -9.285 -2.919 -9.302 149 HB VAL 22 HB VAL 22 -11.041 -0.697 -10.371 150 HG11 VAL 22 HG11 VAL 22 -11.457 -1.010 -7.638 151 HG12 VAL 22 HG12 VAL 22 -11.360 -2.668 -8.233 152 HG13 VAL 22 HG13 VAL 22 -12.546 -1.554 -8.915 153 HG21 VAL 22 HG21 VAL 22 -8.753 -0.003 -9.654 154 HG22 VAL 22 HG22 VAL 22 -9.048 -0.745 -8.082 155 HG23 VAL 22 HG23 VAL 22 -10.010 0.641 -8.598 156 H LEU 23 HN LEU 23 -10.323 -2.834 -12.565 157 HA LEU 23 HA LEU 23 -12.843 -4.046 -12.435 158 HB2 LEU 23 HB2 LEU 23 -11.818 -3.119 -14.509 159 HB3 LEU 23 HB1 LEU 23 -10.708 -4.487 -14.538 160 HG LEU 23 HG LEU 23 -12.854 -5.947 -14.425 161 HD11 LEU 23 HD11 LEU 23 -13.943 -3.253 -15.277 162 HD12 LEU 23 HD12 LEU 23 -14.484 -4.251 -13.927 163 HD13 LEU 23 HD13 LEU 23 -14.782 -4.774 -15.584 164 HD21 LEU 23 HD21 LEU 23 -11.539 -4.558 -16.659 165 HD22 LEU 23 HD22 LEU 23 -13.164 -5.125 -17.044 166 HD23 LEU 23 HD23 LEU 23 -11.944 -6.266 -16.481 167 H ASN 24 HN ASN 24 -9.605 -5.417 -12.227 168 HA ASN 24 HA ASN 24 -10.276 -8.129 -12.532 169 HB2 ASN 24 HB2 ASN 24 -8.056 -6.708 -11.076 170 HB3 ASN 24 HB1 ASN 24 -8.199 -8.465 -11.036 171 HD21 ASN 24 HD21 ASN 24 -7.741 -5.694 -13.247 172 HD22 ASN 24 HD22 ASN 24 -7.092 -6.613 -14.518 173 H LYS 25 HN LYS 25 -10.564 -5.926 -9.826 174 HA LYS 25 HA LYS 25 -11.010 -7.876 -7.800 175 HB2 LYS 25 HB2 LYS 25 -11.976 -5.008 -7.900 176 HB3 LYS 25 HB1 LYS 25 -11.816 -6.013 -6.459 177 HG2 LYS 25 HG2 LYS 25 -9.430 -5.597 -8.234 178 HG3 LYS 25 HG1 LYS 25 -9.890 -4.334 -7.092 179 HD2 LYS 25 HD2 LYS 25 -9.810 -7.117 -6.041 180 HD3 LYS 25 HD1 LYS 25 -8.258 -6.364 -6.410 181 HE2 LYS 25 HE2 LYS 25 -10.349 -4.903 -4.802 182 HE3 LYS 25 HE1 LYS 25 -9.225 -6.022 -4.031 183 HZ1 LYS 25 HZ1 LYS 25 -8.323 -3.817 -3.965 184 HZ2 LYS 25 HZ2 LYS 25 -8.518 -3.630 -5.642 185 HZ3 LYS 25 HZ3 LYS 25 -7.392 -4.749 -5.034 186 H LEU 26 HN LEU 26 -13.206 -5.961 -9.849 187 HA LEU 26 HA LEU 26 -15.576 -7.167 -8.733 188 HB2 LEU 26 HB2 LEU 26 -15.032 -4.880 -10.207 189 HB3 LEU 26 HB1 LEU 26 -15.876 -5.917 -11.356 190 HG LEU 26 HG LEU 26 -17.549 -4.643 -10.193 191 HD11 LEU 26 HD11 LEU 26 -17.588 -7.352 -10.324 192 HD12 LEU 26 HD12 LEU 26 -18.931 -6.399 -9.695 193 HD13 LEU 26 HD13 LEU 26 -17.770 -7.126 -8.584 194 HD21 LEU 26 HD21 LEU 26 -16.779 -5.711 -7.515 195 HD22 LEU 26 HD22 LEU 26 -17.527 -4.170 -7.937 196 HD23 LEU 26 HD23 LEU 26 -15.796 -4.406 -8.177 197 H GLY 27 HN GLY 27 -13.639 -7.536 -11.670 198 HA2 GLY 27 HA2 GLY 27 -15.347 -9.772 -12.536 199 HA3 GLY 27 HA1 GLY 27 -14.161 -8.937 -13.533 200 H GLY 28 HN GLY 28 -11.843 -9.069 -12.488 201 HA2 GLY 28 HA2 GLY 28 -10.065 -10.366 -11.762 202 HA3 GLY 28 HA1 GLY 28 -11.227 -11.490 -11.062 203 H VAL 29 HN VAL 29 -11.416 -10.515 -14.406 204 HA VAL 29 HA VAL 29 -10.325 -13.129 -15.252 205 HB VAL 29 HB VAL 29 -12.506 -12.149 -16.927 206 HG11 VAL 29 HG11 VAL 29 -12.986 -14.434 -17.071 207 HG12 VAL 29 HG12 VAL 29 -12.402 -14.761 -15.440 208 HG13 VAL 29 HG13 VAL 29 -11.255 -14.453 -16.743 209 HG21 VAL 29 HG21 VAL 29 -13.313 -11.394 -14.684 210 HG22 VAL 29 HG22 VAL 29 -13.133 -13.047 -14.096 211 HG23 VAL 29 HG23 VAL 29 -14.306 -12.684 -15.361 212 H LYS 30 HN LYS 30 -10.571 -12.954 -17.884 213 HA LYS 30 HA LYS 30 -8.398 -11.374 -18.678 214 HB2 LYS 30 HB2 LYS 30 -9.901 -13.356 -19.843 215 HB3 LYS 30 HB1 LYS 30 -10.326 -11.946 -20.816 216 HG2 LYS 30 HG2 LYS 30 -7.861 -11.462 -21.047 217 HG3 LYS 30 HG1 LYS 30 -7.543 -13.012 -20.265 218 HD2 LYS 30 HD2 LYS 30 -8.555 -14.233 -22.036 219 HD3 LYS 30 HD1 LYS 30 -9.303 -12.785 -22.710 220 HE2 LYS 30 HE2 LYS 30 -6.955 -13.858 -23.613 221 HE3 LYS 30 HE1 LYS 30 -7.409 -12.164 -23.808 222 HZ1 LYS 30 HZ1 LYS 30 -6.003 -11.500 -22.183 223 HZ2 LYS 30 HZ2 LYS 30 -5.164 -12.902 -22.653 224 HZ3 LYS 30 HZ3 LYS 30 -6.167 -12.928 -21.281 225 H TYR 31 HN TYR 31 -8.229 -9.247 -18.913 226 HA TYR 31 HA TYR 31 -10.519 -7.736 -19.975 227 HB2 TYR 31 HB2 TYR 31 -10.428 -6.080 -18.285 228 HB3 TYR 31 HB1 TYR 31 -10.386 -7.615 -17.418 229 HD1 TYR 31 HD2 TYR 31 -7.913 -8.619 -17.122 230 HD2 TYR 31 HD1 TYR 31 -8.856 -4.467 -17.691 231 HE1 TYR 31 HE2 TYR 31 -5.744 -7.985 -16.100 232 HE2 TYR 31 HE1 TYR 31 -6.687 -3.833 -16.668 233 HH TYR 31 HH TYR 31 -4.299 -6.291 -15.761 234 H ASP 32 HN ASP 32 -9.940 -5.748 -20.993 235 HA ASP 32 HA ASP 32 -7.129 -5.078 -21.289 236 HB2 ASP 32 HB2 ASP 32 -7.810 -6.971 -22.969 237 HB3 ASP 32 HB1 ASP 32 -8.607 -5.658 -23.833 238 H ILE 33 HN ILE 33 -6.848 -2.958 -21.766 239 HA ILE 33 HA ILE 33 -9.271 -1.395 -22.426 240 HB ILE 33 HB ILE 33 -7.718 0.455 -21.290 241 HG12 ILE 33 HG12 ILE 33 -7.040 -1.914 -19.574 242 HG13 ILE 33 HG11 ILE 33 -6.013 -1.535 -20.957 243 HG21 ILE 33 HG21 ILE 33 -9.487 -1.593 -19.933 244 HG22 ILE 33 HG22 ILE 33 -9.939 0.014 -20.503 245 HG23 ILE 33 HG23 ILE 33 -8.877 -0.159 -19.105 246 HD11 ILE 33 HD11 ILE 33 -5.715 0.764 -20.112 247 HD12 ILE 33 HD12 ILE 33 -5.185 -0.420 -18.918 248 HD13 ILE 33 HD13 ILE 33 -6.740 0.389 -18.728 249 H ASP 34 HN ASP 34 -9.205 -0.378 -24.328 250 HA ASP 34 HA ASP 34 -6.561 0.141 -25.547 251 HB2 ASP 34 HB2 ASP 34 -9.198 -0.233 -26.980 252 HB3 ASP 34 HB1 ASP 34 -7.597 -0.111 -27.711 253 H LEU 35 HN LEU 35 -6.163 2.221 -24.958 254 HA LEU 35 HA LEU 35 -8.072 4.271 -24.699 255 HB2 LEU 35 HB2 LEU 35 -5.212 4.007 -24.533 256 HB3 LEU 35 HB1 LEU 35 -5.616 5.454 -25.457 257 HG LEU 35 HG LEU 35 -6.932 4.793 -22.814 258 HD11 LEU 35 HD11 LEU 35 -5.334 6.167 -21.696 259 HD12 LEU 35 HD12 LEU 35 -4.640 6.725 -23.219 260 HD13 LEU 35 HD13 LEU 35 -4.389 5.060 -22.693 261 HD21 LEU 35 HD21 LEU 35 -7.671 6.564 -24.735 262 HD22 LEU 35 HD22 LEU 35 -6.555 7.567 -23.807 263 HD23 LEU 35 HD23 LEU 35 -7.951 6.835 -23.015 264 HA PRO 36 HA PRO 36 -6.608 5.484 -29.223 265 HB2 PRO 36 HB2 PRO 36 -6.214 2.754 -30.309 266 HB3 PRO 36 HB1 PRO 36 -5.240 4.216 -30.550 267 HG2 PRO 36 HG2 PRO 36 -4.414 2.181 -29.016 268 HG3 PRO 36 HG1 PRO 36 -4.004 3.866 -28.663 269 HD2 PRO 36 HD2 PRO 36 -5.989 2.089 -27.311 270 HD3 PRO 36 HD1 PRO 36 -4.991 3.392 -26.630 271 H ASN 37 HN ASN 37 -8.411 2.584 -28.403 272 HA ASN 37 HA ASN 37 -10.359 3.134 -30.541 273 HB2 ASN 37 HB2 ASN 37 -9.559 0.733 -28.993 274 HB3 ASN 37 HB1 ASN 37 -11.263 0.859 -29.425 275 HD21 ASN 37 HD21 ASN 37 -11.302 1.914 -31.937 276 HD22 ASN 37 HD22 ASN 37 -10.394 0.971 -33.019 277 H LYS 38 HN LYS 38 -9.837 3.716 -27.267 278 HA LYS 38 HA LYS 38 -11.183 4.418 -25.535 279 HB2 LYS 38 HB2 LYS 38 -13.283 5.213 -27.513 280 HB3 LYS 38 HB1 LYS 38 -12.690 6.084 -26.098 281 HG2 LYS 38 HG2 LYS 38 -10.439 6.206 -27.393 282 HG3 LYS 38 HG1 LYS 38 -11.409 5.812 -28.812 283 HD2 LYS 38 HD2 LYS 38 -12.857 7.751 -28.386 284 HD3 LYS 38 HD1 LYS 38 -11.927 8.140 -26.938 285 HE2 LYS 38 HE2 LYS 38 -10.003 8.717 -28.186 286 HE3 LYS 38 HE1 LYS 38 -10.597 7.908 -29.636 287 HZ1 LYS 38 HZ1 LYS 38 -10.902 10.570 -28.968 288 HZ2 LYS 38 HZ2 LYS 38 -12.440 9.875 -28.773 289 HZ3 LYS 38 HZ3 LYS 38 -11.630 9.749 -30.261 290 H LYS 39 HN LYS 39 -11.405 1.699 -26.279 291 HA LYS 39 HA LYS 39 -14.159 1.160 -25.383 292 HB2 LYS 39 HB2 LYS 39 -12.749 0.025 -27.781 293 HB3 LYS 39 HB1 LYS 39 -13.950 -0.942 -26.921 294 HG2 LYS 39 HG2 LYS 39 -15.681 0.613 -27.356 295 HG3 LYS 39 HG1 LYS 39 -14.542 1.885 -27.799 296 HD2 LYS 39 HD2 LYS 39 -14.072 0.924 -29.883 297 HD3 LYS 39 HD1 LYS 39 -14.620 -0.674 -29.378 298 HE2 LYS 39 HE2 LYS 39 -16.383 0.065 -30.740 299 HE3 LYS 39 HE1 LYS 39 -16.953 0.473 -29.123 300 HZ1 LYS 39 HZ1 LYS 39 -16.816 2.206 -31.157 301 HZ2 LYS 39 HZ2 LYS 39 -15.327 2.499 -30.393 302 HZ3 LYS 39 HZ3 LYS 39 -16.777 2.655 -29.521 303 H VAL 40 HN VAL 40 -14.393 -0.892 -24.288 304 HA VAL 40 HA VAL 40 -11.830 -2.032 -23.354 305 HB VAL 40 HB VAL 40 -14.281 -1.606 -21.632 306 HG11 VAL 40 HG11 VAL 40 -13.101 -3.381 -20.680 307 HG12 VAL 40 HG12 VAL 40 -12.354 -1.996 -19.883 308 HG13 VAL 40 HG13 VAL 40 -11.542 -2.776 -21.240 309 HG21 VAL 40 HG21 VAL 40 -11.766 0.015 -22.032 310 HG22 VAL 40 HG22 VAL 40 -12.643 0.061 -20.503 311 HG23 VAL 40 HG23 VAL 40 -13.439 0.575 -21.990 312 H CYS 41 HN CYS 41 -11.690 -4.116 -23.827 313 HA CYS 41 HA CYS 41 -14.177 -5.648 -24.243 314 HB2 CYS 41 HB2 CYS 41 -12.368 -5.483 -26.065 315 HB3 CYS 41 HB1 CYS 41 -11.404 -6.535 -25.029 316 HG CYS 41 HG CYS 41 -13.124 -7.783 -26.833 317 H ILE 42 HN ILE 42 -14.788 -6.798 -22.527 318 HA ILE 42 HA ILE 42 -12.681 -8.042 -20.864 319 HB ILE 42 HB ILE 42 -14.062 -6.114 -19.852 320 HG12 ILE 42 HG12 ILE 42 -13.669 -8.859 -18.678 321 HG13 ILE 42 HG11 ILE 42 -12.783 -7.372 -18.334 322 HG21 ILE 42 HG21 ILE 42 -16.209 -7.199 -20.836 323 HG22 ILE 42 HG22 ILE 42 -16.282 -6.554 -19.197 324 HG23 ILE 42 HG23 ILE 42 -16.109 -8.290 -19.454 325 HD11 ILE 42 HD11 ILE 42 -15.602 -8.074 -17.487 326 HD12 ILE 42 HD12 ILE 42 -14.938 -6.445 -17.359 327 HD13 ILE 42 HD13 ILE 42 -14.213 -7.768 -16.445 328 H GLU 43 HN GLU 43 -12.752 -10.186 -20.728 329 HA GLU 43 HA GLU 43 -15.254 -11.546 -21.526 330 HB2 GLU 43 HB2 GLU 43 -13.540 -12.234 -23.022 331 HB3 GLU 43 HB1 GLU 43 -12.354 -12.370 -21.722 332 HG2 GLU 43 HG2 GLU 43 -13.524 -14.275 -20.779 333 HG3 GLU 43 HG1 GLU 43 -14.844 -14.087 -21.931 334 H SER 44 HN SER 44 -16.365 -12.247 -19.814 335 HA SER 44 HA SER 44 -14.880 -13.469 -17.590 336 HB2 SER 44 HB2 SER 44 -16.925 -11.264 -17.352 337 HB3 SER 44 HB1 SER 44 -16.449 -12.288 -16.000 338 HG SER 44 HG SER 44 -15.155 -10.194 -17.143 339 H GLU 45 HN GLU 45 -16.317 -14.641 -16.095 340 HA GLU 45 HA GLU 45 -17.956 -16.476 -17.495 341 HB2 GLU 45 HB2 GLU 45 -17.889 -15.980 -14.515 342 HB3 GLU 45 HB1 GLU 45 -18.299 -17.481 -15.347 343 HG2 GLU 45 HG2 GLU 45 -15.859 -17.106 -16.393 344 HG3 GLU 45 HG1 GLU 45 -15.625 -16.245 -14.874 345 H HIS 46 HN HIS 46 -18.599 -13.575 -15.626 346 HA HIS 46 HA HIS 46 -21.499 -13.950 -16.031 347 HB2 HIS 46 HB2 HIS 46 -19.861 -12.664 -13.922 348 HB3 HIS 46 HB1 HIS 46 -21.353 -11.835 -14.360 349 HD1 HIS 46 HD1 HIS 46 -20.398 -15.498 -13.780 350 HD2 HIS 46 HD2 HIS 46 -23.406 -12.785 -12.793 351 HE1 HIS 46 HE1 HIS 46 -22.063 -16.764 -12.353 352 H SER 47 HN SER 47 -19.008 -11.418 -16.052 353 HA SER 47 HA SER 47 -18.904 -9.400 -17.165 354 HB2 SER 47 HB2 SER 47 -18.829 -9.641 -19.492 355 HB3 SER 47 HB1 SER 47 -18.479 -11.265 -18.907 356 HG SER 47 HG SER 47 -20.366 -11.934 -19.617 357 H MET 48 HN MET 48 -20.833 -8.828 -15.694 358 HA MET 48 HA MET 48 -22.612 -7.226 -17.153 359 HB2 MET 48 HB2 MET 48 -23.579 -9.525 -17.679 360 HB3 MET 48 HB1 MET 48 -24.006 -9.635 -15.973 361 HG2 MET 48 HG2 MET 48 -25.674 -8.080 -16.151 362 HG3 MET 48 HG1 MET 48 -24.791 -7.120 -17.339 363 HE1 MET 48 HE1 MET 48 -28.354 -8.258 -18.560 364 HE2 MET 48 HE2 MET 48 -27.614 -7.586 -17.110 365 HE3 MET 48 HE3 MET 48 -28.061 -9.289 -17.153 366 H ASP 49 HN ASP 49 -20.994 -6.746 -15.051 367 HA ASP 49 HA ASP 49 -22.543 -5.355 -13.240 368 HB2 ASP 49 HB2 ASP 49 -22.193 -6.872 -11.192 369 HB3 ASP 49 HB1 ASP 49 -23.485 -7.313 -12.307 370 H THR 50 HN THR 50 -19.670 -7.202 -13.895 371 HA THR 50 HA THR 50 -18.034 -5.831 -11.955 372 HB THR 50 HB THR 50 -17.279 -8.008 -12.433 373 HG1 THR 50 HG1 THR 50 -15.443 -7.293 -14.111 374 HG21 THR 50 HG21 THR 50 -18.038 -8.964 -14.329 375 HG22 THR 50 HG22 THR 50 -16.709 -8.160 -15.164 376 HG23 THR 50 HG23 THR 50 -18.294 -7.394 -15.090 377 H LEU 51 HN LEU 51 -18.730 -5.579 -15.399 378 HA LEU 51 HA LEU 51 -16.668 -3.750 -16.051 379 HB2 LEU 51 HB2 LEU 51 -18.567 -3.161 -17.884 380 HB3 LEU 51 HB1 LEU 51 -17.500 -4.560 -17.998 381 HG LEU 51 HG LEU 51 -20.008 -4.864 -16.405 382 HD11 LEU 51 HD11 LEU 51 -19.856 -4.599 -19.411 383 HD12 LEU 51 HD12 LEU 51 -20.987 -3.826 -18.303 384 HD13 LEU 51 HD13 LEU 51 -21.117 -5.553 -18.630 385 HD21 LEU 51 HD21 LEU 51 -19.073 -6.810 -18.451 386 HD22 LEU 51 HD22 LEU 51 -19.637 -7.095 -16.804 387 HD23 LEU 51 HD23 LEU 51 -17.988 -6.537 -17.088 388 H LEU 52 HN LEU 52 -20.117 -3.170 -15.326 389 HA LEU 52 HA LEU 52 -19.948 -0.361 -15.570 390 HB2 LEU 52 HB2 LEU 52 -22.109 -0.546 -14.084 391 HB3 LEU 52 HB1 LEU 52 -22.113 -1.111 -15.753 392 HG LEU 52 HG LEU 52 -21.251 -3.066 -13.681 393 HD11 LEU 52 HD11 LEU 52 -23.840 -3.589 -13.529 394 HD12 LEU 52 HD12 LEU 52 -23.992 -1.865 -13.871 395 HD13 LEU 52 HD13 LEU 52 -23.107 -2.407 -12.445 396 HD21 LEU 52 HD21 LEU 52 -21.722 -3.185 -16.351 397 HD22 LEU 52 HD22 LEU 52 -23.305 -3.657 -15.735 398 HD23 LEU 52 HD23 LEU 52 -21.871 -4.576 -15.279 399 H ALA 53 HN ALA 53 -20.055 -2.371 -12.602 400 HA ALA 53 HA ALA 53 -19.939 -0.282 -10.769 401 HB1 ALA 53 HB1 ALA 53 -18.427 -2.447 -9.717 402 HB2 ALA 53 HB2 ALA 53 -19.717 -3.126 -10.708 403 HB3 ALA 53 HB3 ALA 53 -20.107 -2.026 -9.387 404 H THR 54 HN THR 54 -17.205 -2.086 -12.195 405 HA THR 54 HA THR 54 -15.228 -0.624 -10.768 406 HB THR 54 HB THR 54 -14.797 -2.008 -13.411 407 HG1 THR 54 HG1 THR 54 -15.931 -3.397 -12.034 408 HG21 THR 54 HG21 THR 54 -12.895 -2.219 -11.163 409 HG22 THR 54 HG22 THR 54 -13.091 -0.594 -11.818 410 HG23 THR 54 HG23 THR 54 -12.589 -1.912 -12.872 411 H LEU 55 HN LEU 55 -16.385 -0.380 -14.128 412 HA LEU 55 HA LEU 55 -14.721 1.743 -14.896 413 HB2 LEU 55 HB2 LEU 55 -17.410 0.819 -15.903 414 HB3 LEU 55 HB1 LEU 55 -16.470 2.088 -16.684 415 HG LEU 55 HG LEU 55 -15.137 -0.525 -16.050 416 HD11 LEU 55 HD11 LEU 55 -16.505 -1.683 -17.417 417 HD12 LEU 55 HD12 LEU 55 -15.977 -0.647 -18.740 418 HD13 LEU 55 HD13 LEU 55 -17.415 -0.225 -17.814 419 HD21 LEU 55 HD21 LEU 55 -14.822 1.204 -18.498 420 HD22 LEU 55 HD22 LEU 55 -13.646 0.125 -17.750 421 HD23 LEU 55 HD23 LEU 55 -14.052 1.657 -16.979 422 H LYS 56 HN LYS 56 -17.989 1.774 -13.478 423 HA LYS 56 HA LYS 56 -18.445 4.545 -13.737 424 HB2 LYS 56 HB2 LYS 56 -20.021 2.556 -12.967 425 HB3 LYS 56 HB1 LYS 56 -19.520 3.092 -11.363 426 HG2 LYS 56 HG2 LYS 56 -21.513 4.319 -11.933 427 HG3 LYS 56 HG1 LYS 56 -20.156 5.441 -12.058 428 HD2 LYS 56 HD2 LYS 56 -20.468 5.725 -14.278 429 HD3 LYS 56 HD1 LYS 56 -20.632 3.990 -14.551 430 HE2 LYS 56 HE2 LYS 56 -22.725 5.132 -15.131 431 HE3 LYS 56 HE1 LYS 56 -22.968 4.097 -13.725 432 HZ1 LYS 56 HZ1 LYS 56 -23.669 5.873 -12.633 433 HZ2 LYS 56 HZ2 LYS 56 -23.301 6.891 -13.943 434 HZ3 LYS 56 HZ3 LYS 56 -22.121 6.554 -12.769 435 H LYS 57 HN LYS 57 -16.584 2.701 -11.431 436 HA LYS 57 HA LYS 57 -16.325 4.045 -9.181 437 HB2 LYS 57 HB2 LYS 57 -14.071 3.248 -11.022 438 HB3 LYS 57 HB1 LYS 57 -13.819 3.795 -9.369 439 HG2 LYS 57 HG2 LYS 57 -15.886 1.709 -9.687 440 HG3 LYS 57 HG1 LYS 57 -14.240 1.190 -10.042 441 HD2 LYS 57 HD2 LYS 57 -15.073 2.625 -7.505 442 HD3 LYS 57 HD1 LYS 57 -14.854 0.881 -7.638 443 HE2 LYS 57 HE2 LYS 57 -12.819 3.044 -7.566 444 HE3 LYS 57 HE1 LYS 57 -12.731 1.394 -6.951 445 HZ1 LYS 57 HZ1 LYS 57 -12.437 0.579 -9.174 446 HZ2 LYS 57 HZ2 LYS 57 -11.274 1.781 -8.871 447 HZ3 LYS 57 HZ3 LYS 57 -12.636 2.132 -9.824 448 H THR 58 HN THR 58 -14.853 5.261 -12.206 449 HA THR 58 HA THR 58 -14.158 7.772 -10.928 450 HB THR 58 HB THR 58 -13.764 8.094 -13.652 451 HG1 THR 58 HG1 THR 58 -12.539 5.794 -13.577 452 HG21 THR 58 HG21 THR 58 -12.065 8.744 -12.169 453 HG22 THR 58 HG22 THR 58 -11.365 7.339 -12.973 454 HG23 THR 58 HG23 THR 58 -12.049 7.179 -11.355 455 H GLY 59 HN GLY 59 -16.796 6.504 -12.773 456 HA2 GLY 59 HA2 GLY 59 -18.900 7.665 -12.799 457 HA3 GLY 59 HA1 GLY 59 -18.018 9.188 -12.769 458 H ALA 60 HN ALA 60 -16.739 6.797 -14.867 459 HA ALA 60 HA ALA 60 -17.254 8.429 -17.174 460 HB1 ALA 60 HB1 ALA 60 -16.180 6.424 -18.366 461 HB2 ALA 60 HB2 ALA 60 -15.934 5.752 -16.754 462 HB3 ALA 60 HB3 ALA 60 -15.185 7.287 -17.192 463 H THR 61 HN THR 61 -18.667 8.115 -18.826 464 HA THR 61 HA THR 61 -21.101 6.802 -18.348 465 HB THR 61 HB THR 61 -20.728 7.058 -21.159 466 HG1 THR 61 HG1 THR 61 -20.186 9.482 -20.730 467 HG21 THR 61 HG21 THR 61 -22.030 8.907 -19.141 468 HG22 THR 61 HG22 THR 61 -22.795 7.497 -19.872 469 HG23 THR 61 HG23 THR 61 -22.352 8.878 -20.876 470 H VAL 62 HN VAL 62 -21.856 4.799 -18.781 471 HA VAL 62 HA VAL 62 -19.991 2.888 -20.021 472 HB VAL 62 HB VAL 62 -21.205 1.186 -18.729 473 HG11 VAL 62 HG11 VAL 62 -19.878 3.519 -17.424 474 HG12 VAL 62 HG12 VAL 62 -19.361 1.833 -17.494 475 HG13 VAL 62 HG13 VAL 62 -20.641 2.318 -16.381 476 HG21 VAL 62 HG21 VAL 62 -22.606 2.593 -16.812 477 HG22 VAL 62 HG22 VAL 62 -23.329 1.737 -18.174 478 HG23 VAL 62 HG23 VAL 62 -22.994 3.464 -18.296 479 H SER 63 HN SER 63 -20.894 1.246 -21.399 480 HA SER 63 HA SER 63 -23.598 1.803 -22.432 481 HB2 SER 63 HB2 SER 63 -22.101 2.958 -23.952 482 HB3 SER 63 HB1 SER 63 -21.090 1.525 -24.102 483 HG SER 63 HG SER 63 -23.240 0.532 -24.772 484 H TYR 64 HN TYR 64 -24.690 -0.019 -22.113 485 HA TYR 64 HA TYR 64 -23.340 -2.611 -22.201 486 HB2 TYR 64 HB2 TYR 64 -24.785 -2.587 -20.385 487 HB3 TYR 64 HB1 TYR 64 -25.988 -1.611 -21.224 488 HD1 TYR 64 HD2 TYR 64 -24.388 -4.995 -21.258 489 HD2 TYR 64 HD1 TYR 64 -27.827 -2.629 -22.272 490 HE1 TYR 64 HE2 TYR 64 -25.613 -7.052 -21.906 491 HE2 TYR 64 HE1 TYR 64 -29.052 -4.684 -22.922 492 HH TYR 64 HH TYR 64 -28.976 -7.095 -22.442 493 H LEU 65 HN LEU 65 -23.038 -3.365 -24.220 494 HA LEU 65 HA LEU 65 -24.968 -2.850 -26.327 495 HB2 LEU 65 HB2 LEU 65 -22.379 -4.414 -26.247 496 HB3 LEU 65 HB1 LEU 65 -23.378 -4.250 -27.692 497 HG LEU 65 HG LEU 65 -22.440 -1.838 -26.138 498 HD11 LEU 65 HD11 LEU 65 -20.749 -1.781 -28.173 499 HD12 LEU 65 HD12 LEU 65 -20.979 -3.529 -28.137 500 HD13 LEU 65 HD13 LEU 65 -20.357 -2.692 -26.716 501 HD21 LEU 65 HD21 LEU 65 -22.682 -1.537 -28.993 502 HD22 LEU 65 HD22 LEU 65 -23.603 -0.733 -27.722 503 HD23 LEU 65 HD23 LEU 65 -24.153 -2.280 -28.365 504 H GLY 66 HN GLY 66 -23.659 -5.737 -24.686 505 HA2 GLY 66 HA2 GLY 66 -25.908 -7.146 -24.181 506 HA3 GLY 66 HA1 GLY 66 -25.658 -7.454 -25.897 507 H LEU 67 HN LEU 67 -25.562 -9.686 -24.689 508 HA LEU 67 HA LEU 67 -22.792 -10.245 -23.841 509 HB2 LEU 67 HB2 LEU 67 -25.413 -11.278 -23.065 510 HB3 LEU 67 HB1 LEU 67 -24.263 -12.560 -23.443 511 HG LEU 67 HG LEU 67 -23.506 -10.240 -21.667 512 HD11 LEU 67 HD11 LEU 67 -24.912 -12.821 -20.956 513 HD12 LEU 67 HD12 LEU 67 -25.375 -11.176 -20.522 514 HD13 LEU 67 HD13 LEU 67 -23.957 -11.918 -19.781 515 HD21 LEU 67 HD21 LEU 67 -22.356 -12.849 -21.113 516 HD22 LEU 67 HD22 LEU 67 -21.541 -11.340 -21.520 517 HD23 LEU 67 HD23 LEU 67 -22.112 -12.405 -22.803 518 H GLU 68 HN GLU 68 -21.640 -11.980 -24.769 519 HA GLU 68 HA GLU 68 -20.807 -12.978 -26.693 520 HB2 GLU 68 HB2 GLU 68 -22.148 -14.757 -25.652 521 HB3 GLU 68 HB1 GLU 68 -23.574 -14.200 -26.530 522 HG2 GLU 68 HG2 GLU 68 -22.881 -15.115 -28.499 523 HG3 GLU 68 HG1 GLU 68 -21.192 -14.703 -28.208 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -18.354 -18.282 -19.817 2 H2 MET 1 HT2 MET 1 -17.408 -16.910 -20.142 3 H3 MET 1 HT3 MET 1 -16.719 -18.253 -19.366 4 HA MET 1 HA MET 1 -16.019 -18.896 -21.359 5 HB2 MET 1 HB2 MET 1 -18.826 -19.651 -21.077 6 HB3 MET 1 HB1 MET 1 -18.326 -19.563 -22.768 7 HG2 MET 1 HG2 MET 1 -16.915 -21.119 -20.579 8 HG3 MET 1 HG1 MET 1 -17.908 -21.813 -21.862 9 HE1 MET 1 HE1 MET 1 -16.041 -21.389 -25.059 10 HE2 MET 1 HE2 MET 1 -17.581 -20.980 -24.309 11 HE3 MET 1 HE3 MET 1 -16.921 -22.602 -24.118 12 HA PRO 2 HA PRO 2 -18.160 -16.112 -24.647 13 HB2 PRO 2 HB2 PRO 2 -20.198 -14.483 -23.777 14 HB3 PRO 2 HB1 PRO 2 -20.447 -16.096 -24.469 15 HG2 PRO 2 HG2 PRO 2 -20.457 -15.231 -21.628 16 HG3 PRO 2 HG1 PRO 2 -21.458 -16.441 -22.447 17 HD2 PRO 2 HD2 PRO 2 -19.329 -17.094 -20.852 18 HD3 PRO 2 HD1 PRO 2 -19.883 -18.108 -22.203 19 H LYS 3 HN LYS 3 -17.594 -13.979 -25.245 20 HA LYS 3 HA LYS 3 -16.030 -12.556 -23.237 21 HB2 LYS 3 HB2 LYS 3 -16.406 -11.926 -26.173 22 HB3 LYS 3 HB1 LYS 3 -15.169 -11.271 -25.100 23 HG2 LYS 3 HG2 LYS 3 -14.196 -13.485 -24.800 24 HG3 LYS 3 HG1 LYS 3 -15.483 -14.213 -25.761 25 HD2 LYS 3 HD2 LYS 3 -13.425 -13.890 -27.102 26 HD3 LYS 3 HD1 LYS 3 -14.764 -12.926 -27.728 27 HE2 LYS 3 HE2 LYS 3 -13.793 -10.942 -27.130 28 HE3 LYS 3 HE1 LYS 3 -13.071 -11.618 -25.669 29 HZ1 LYS 3 HZ1 LYS 3 -11.951 -12.823 -27.970 30 HZ2 LYS 3 HZ2 LYS 3 -11.178 -11.942 -26.740 31 HZ3 LYS 3 HZ3 LYS 3 -11.823 -11.135 -28.088 32 H HIS 4 HN HIS 4 -16.376 -10.411 -22.620 33 HA HIS 4 HA HIS 4 -19.066 -9.360 -23.267 34 HB2 HIS 4 HB2 HIS 4 -18.282 -10.122 -20.810 35 HB3 HIS 4 HB1 HIS 4 -17.691 -8.460 -20.794 36 HD1 HIS 4 HD1 HIS 4 -20.449 -10.008 -19.535 37 HD2 HIS 4 HD2 HIS 4 -20.132 -6.939 -22.338 38 HE1 HIS 4 HE1 HIS 4 -22.677 -8.803 -19.534 39 H GLU 5 HN GLU 5 -19.198 -7.373 -24.113 40 HA GLU 5 HA GLU 5 -16.765 -5.690 -24.082 41 HB2 GLU 5 HB2 GLU 5 -18.508 -6.549 -26.314 42 HB3 GLU 5 HB1 GLU 5 -18.051 -4.844 -26.310 43 HG2 GLU 5 HG2 GLU 5 -15.806 -5.298 -26.590 44 HG3 GLU 5 HG1 GLU 5 -15.910 -6.854 -25.769 45 H PHE 6 HN PHE 6 -17.026 -3.719 -23.258 46 HA PHE 6 HA PHE 6 -19.768 -2.627 -23.053 47 HB2 PHE 6 HB2 PHE 6 -17.811 -3.185 -20.957 48 HB3 PHE 6 HB1 PHE 6 -18.346 -1.505 -20.948 49 HD1 PHE 6 HD2 PHE 6 -20.127 -4.679 -21.862 50 HD2 PHE 6 HD1 PHE 6 -19.952 -1.268 -19.262 51 HE1 PHE 6 HE2 PHE 6 -22.268 -5.366 -20.817 52 HE2 PHE 6 HE1 PHE 6 -22.094 -1.953 -18.217 53 HZ PHE 6 HZ PHE 6 -23.251 -4.002 -18.995 54 H SER 7 HN SER 7 -19.977 -0.389 -23.313 55 HA SER 7 HA SER 7 -17.635 0.904 -24.565 56 HB2 SER 7 HB2 SER 7 -20.592 1.145 -24.964 57 HB3 SER 7 HB1 SER 7 -19.559 2.521 -25.344 58 HG SER 7 HG SER 7 -20.027 0.668 -26.962 59 H VAL 8 HN VAL 8 -16.571 2.239 -23.247 60 HA VAL 8 HA VAL 8 -18.161 3.992 -21.479 61 HB VAL 8 HB VAL 8 -17.194 2.289 -20.064 62 HG11 VAL 8 HG11 VAL 8 -14.475 3.078 -21.129 63 HG12 VAL 8 HG12 VAL 8 -15.386 1.716 -21.784 64 HG13 VAL 8 HG13 VAL 8 -14.878 1.707 -20.094 65 HG21 VAL 8 HG21 VAL 8 -17.145 4.674 -19.295 66 HG22 VAL 8 HG22 VAL 8 -15.502 4.805 -19.922 67 HG23 VAL 8 HG23 VAL 8 -15.853 3.702 -18.592 68 H ASP 9 HN ASP 9 -17.691 6.095 -21.651 69 HA ASP 9 HA ASP 9 -15.525 6.915 -23.417 70 HB2 ASP 9 HB2 ASP 9 -18.044 7.964 -22.741 71 HB3 ASP 9 HB1 ASP 9 -16.871 9.091 -22.061 72 H MET 10 HN MET 10 -13.533 7.058 -22.583 73 HA MET 10 HA MET 10 -13.055 7.263 -19.772 74 HB2 MET 10 HB2 MET 10 -10.643 7.823 -20.894 75 HB3 MET 10 HB1 MET 10 -11.271 6.190 -20.666 76 HG2 MET 10 HG2 MET 10 -11.954 7.755 -23.146 77 HG3 MET 10 HG1 MET 10 -10.434 6.867 -23.037 78 HE1 MET 10 HE1 MET 10 -11.186 3.280 -23.212 79 HE2 MET 10 HE2 MET 10 -10.406 4.353 -22.051 80 HE3 MET 10 HE3 MET 10 -10.168 4.613 -23.778 81 H THR 11 HN THR 11 -13.231 9.039 -18.611 82 HA THR 11 HA THR 11 -12.658 11.648 -19.874 83 HB THR 11 HB THR 11 -14.221 11.216 -17.327 84 HG1 THR 11 HG1 THR 11 -15.865 11.833 -19.220 85 HG21 THR 11 HG21 THR 11 -13.404 13.474 -17.642 86 HG22 THR 11 HG22 THR 11 -15.132 13.462 -17.997 87 HG23 THR 11 HG23 THR 11 -13.960 13.486 -19.315 88 H CYS 12 HN CYS 12 -12.158 9.624 -17.030 89 HA CYS 12 HA CYS 12 -10.161 11.492 -15.964 90 HB2 CYS 12 HB2 CYS 12 -11.812 9.296 -14.865 91 HB3 CYS 12 HB1 CYS 12 -10.194 9.472 -14.184 92 HG CYS 12 HG CYS 12 -10.965 11.484 -12.977 93 H GLY 13 HN GLY 13 -9.588 10.098 -18.411 94 HA2 GLY 13 HA2 GLY 13 -8.258 7.903 -18.741 95 HA3 GLY 13 HA1 GLY 13 -7.408 9.402 -19.109 96 H GLY 14 HN GLY 14 -6.787 10.456 -16.727 97 HA2 GLY 14 HA2 GLY 14 -4.589 8.904 -15.841 98 HA3 GLY 14 HA1 GLY 14 -5.200 10.360 -15.063 99 H CYS 15 HN CYS 15 -7.674 9.721 -14.235 100 HA CYS 15 HA CYS 15 -7.139 7.840 -12.087 101 HB2 CYS 15 HB2 CYS 15 -9.854 8.794 -12.128 102 HB3 CYS 15 HB1 CYS 15 -8.577 9.133 -10.961 103 HG CYS 15 HG CYS 15 -7.778 10.937 -12.964 104 H ALA 16 HN ALA 16 -9.431 8.136 -14.803 105 HA ALA 16 HA ALA 16 -10.964 5.855 -14.316 106 HB1 ALA 16 HB1 ALA 16 -10.218 7.383 -16.779 107 HB2 ALA 16 HB2 ALA 16 -11.806 7.131 -16.053 108 HB3 ALA 16 HB3 ALA 16 -11.033 5.830 -16.958 109 H GLU 17 HN GLU 17 -7.753 6.169 -15.742 110 HA GLU 17 HA GLU 17 -7.553 3.538 -16.782 111 HB2 GLU 17 HB2 GLU 17 -5.994 5.265 -17.479 112 HB3 GLU 17 HB1 GLU 17 -5.402 5.442 -15.827 113 HG2 GLU 17 HG2 GLU 17 -4.193 3.489 -15.902 114 HG3 GLU 17 HG1 GLU 17 -5.332 2.703 -16.994 115 H ALA 18 HN ALA 18 -6.590 4.953 -13.662 116 HA ALA 18 HA ALA 18 -5.514 2.553 -12.577 117 HB1 ALA 18 HB1 ALA 18 -5.830 3.743 -10.374 118 HB2 ALA 18 HB2 ALA 18 -6.591 5.059 -11.268 119 HB3 ALA 18 HB3 ALA 18 -4.903 4.649 -11.571 120 H VAL 19 HN VAL 19 -8.716 3.875 -12.841 121 HA VAL 19 HA VAL 19 -10.025 2.339 -10.869 122 HB VAL 19 HB VAL 19 -10.822 3.927 -13.248 123 HG11 VAL 19 HG11 VAL 19 -12.508 1.721 -12.051 124 HG12 VAL 19 HG12 VAL 19 -12.154 2.017 -13.752 125 HG13 VAL 19 HG13 VAL 19 -13.221 3.109 -12.871 126 HG21 VAL 19 HG21 VAL 19 -10.730 4.958 -11.054 127 HG22 VAL 19 HG22 VAL 19 -11.738 3.684 -10.367 128 HG23 VAL 19 HG23 VAL 19 -12.423 4.821 -11.527 129 H SER 20 HN SER 20 -9.199 1.694 -14.235 130 HA SER 20 HA SER 20 -10.728 -0.598 -14.676 131 HB2 SER 20 HB2 SER 20 -9.460 -0.887 -16.575 132 HB3 SER 20 HB1 SER 20 -9.069 0.792 -16.216 133 HG SER 20 HG SER 20 -7.113 0.216 -15.622 134 H ARG 21 HN ARG 21 -7.683 -0.204 -12.946 135 HA ARG 21 HA ARG 21 -6.865 -2.873 -12.787 136 HB2 ARG 21 HB2 ARG 21 -6.613 -0.697 -10.694 137 HB3 ARG 21 HB1 ARG 21 -5.689 -2.200 -10.723 138 HG2 ARG 21 HG2 ARG 21 -4.650 -1.597 -12.822 139 HG3 ARG 21 HG1 ARG 21 -5.691 -0.183 -12.984 140 HD2 ARG 21 HD2 ARG 21 -3.411 -0.639 -11.080 141 HD3 ARG 21 HD1 ARG 21 -3.717 0.743 -12.128 142 HE ARG 21 HE ARG 21 -5.826 0.794 -10.408 143 HH11 ARG 21 HH21 ARG 21 -2.394 0.562 -10.038 144 HH12 ARG 21 HH22 ARG 21 -2.364 1.382 -8.513 145 HH21 ARG 21 HH11 ARG 21 -5.797 1.870 -8.409 146 HH22 ARG 21 HH12 ARG 21 -4.292 2.121 -7.589 147 H VAL 22 HN VAL 22 -9.147 -1.059 -10.767 148 HA VAL 22 HA VAL 22 -9.626 -3.029 -8.831 149 HB VAL 22 HB VAL 22 -11.411 -1.720 -8.127 150 HG11 VAL 22 HG11 VAL 22 -10.573 0.448 -8.128 151 HG12 VAL 22 HG12 VAL 22 -10.151 0.394 -9.838 152 HG13 VAL 22 HG13 VAL 22 -9.149 -0.448 -8.656 153 HG21 VAL 22 HG21 VAL 22 -13.043 -1.678 -9.738 154 HG22 VAL 22 HG22 VAL 22 -11.887 -1.437 -11.046 155 HG23 VAL 22 HG23 VAL 22 -12.380 -0.072 -10.045 156 H LEU 23 HN LEU 23 -10.542 -2.898 -12.145 157 HA LEU 23 HA LEU 23 -12.925 -4.377 -12.142 158 HB2 LEU 23 HB2 LEU 23 -12.052 -3.271 -14.155 159 HB3 LEU 23 HB1 LEU 23 -10.699 -4.398 -14.198 160 HG LEU 23 HG LEU 23 -12.407 -6.273 -14.323 161 HD11 LEU 23 HD11 LEU 23 -14.652 -5.447 -15.274 162 HD12 LEU 23 HD12 LEU 23 -14.209 -3.867 -14.628 163 HD13 LEU 23 HD13 LEU 23 -14.399 -5.242 -13.541 164 HD21 LEU 23 HD21 LEU 23 -12.158 -6.217 -16.579 165 HD22 LEU 23 HD22 LEU 23 -11.275 -4.716 -16.299 166 HD23 LEU 23 HD23 LEU 23 -12.988 -4.666 -16.718 167 H ASN 24 HN ASN 24 -9.562 -5.396 -11.898 168 HA ASN 24 HA ASN 24 -9.859 -8.135 -12.375 169 HB2 ASN 24 HB2 ASN 24 -7.946 -6.481 -10.775 170 HB3 ASN 24 HB1 ASN 24 -7.913 -8.234 -10.591 171 HD21 ASN 24 HD21 ASN 24 -5.948 -6.327 -11.971 172 HD22 ASN 24 HD22 ASN 24 -5.778 -6.967 -13.534 173 H LYS 25 HN LYS 25 -10.455 -6.227 -9.467 174 HA LYS 25 HA LYS 25 -10.899 -8.423 -7.714 175 HB2 LYS 25 HB2 LYS 25 -10.466 -6.418 -6.607 176 HB3 LYS 25 HB1 LYS 25 -11.562 -5.497 -7.638 177 HG2 LYS 25 HG2 LYS 25 -13.490 -6.395 -6.578 178 HG3 LYS 25 HG1 LYS 25 -12.560 -7.683 -5.807 179 HD2 LYS 25 HD2 LYS 25 -11.404 -6.056 -4.399 180 HD3 LYS 25 HD1 LYS 25 -12.229 -4.727 -5.215 181 HE2 LYS 25 HE2 LYS 25 -13.807 -6.926 -3.894 182 HE3 LYS 25 HE1 LYS 25 -13.194 -5.569 -2.949 183 HZ1 LYS 25 HZ1 LYS 25 -14.352 -4.047 -4.372 184 HZ2 LYS 25 HZ2 LYS 25 -15.456 -5.209 -3.807 185 HZ3 LYS 25 HZ3 LYS 25 -14.856 -5.302 -5.394 186 H LEU 26 HN LEU 26 -13.093 -6.375 -9.626 187 HA LEU 26 HA LEU 26 -15.457 -7.756 -8.745 188 HB2 LEU 26 HB2 LEU 26 -14.918 -5.351 -10.032 189 HB3 LEU 26 HB1 LEU 26 -15.696 -6.328 -11.277 190 HG LEU 26 HG LEU 26 -17.445 -5.184 -10.086 191 HD11 LEU 26 HD11 LEU 26 -18.773 -7.014 -9.789 192 HD12 LEU 26 HD12 LEU 26 -17.661 -7.760 -8.642 193 HD13 LEU 26 HD13 LEU 26 -17.363 -7.894 -10.376 194 HD21 LEU 26 HD21 LEU 26 -16.960 -4.493 -7.988 195 HD22 LEU 26 HD22 LEU 26 -15.676 -5.691 -7.822 196 HD23 LEU 26 HD23 LEU 26 -17.344 -6.130 -7.454 197 H GLY 27 HN GLY 27 -13.388 -7.829 -11.609 198 HA2 GLY 27 HA2 GLY 27 -14.942 -10.078 -12.700 199 HA3 GLY 27 HA1 GLY 27 -13.776 -9.106 -13.593 200 H GLY 28 HN GLY 28 -11.485 -9.193 -12.546 201 HA2 GLY 28 HA2 GLY 28 -9.631 -10.424 -11.927 202 HA3 GLY 28 HA1 GLY 28 -10.721 -11.594 -11.186 203 H VAL 29 HN VAL 29 -10.981 -10.608 -14.532 204 HA VAL 29 HA VAL 29 -9.827 -13.180 -15.406 205 HB VAL 29 HB VAL 29 -12.181 -12.228 -16.902 206 HG11 VAL 29 HG11 VAL 29 -10.681 -14.450 -16.980 207 HG12 VAL 29 HG12 VAL 29 -12.397 -14.473 -17.382 208 HG13 VAL 29 HG13 VAL 29 -11.861 -14.975 -15.779 209 HG21 VAL 29 HG21 VAL 29 -13.020 -11.782 -14.682 210 HG22 VAL 29 HG22 VAL 29 -12.363 -13.300 -14.073 211 HG23 VAL 29 HG23 VAL 29 -13.713 -13.316 -15.207 212 H LYS 30 HN LYS 30 -10.150 -13.042 -18.020 213 HA LYS 30 HA LYS 30 -8.116 -11.373 -18.924 214 HB2 LYS 30 HB2 LYS 30 -10.195 -12.063 -20.910 215 HB3 LYS 30 HB1 LYS 30 -8.456 -12.355 -20.945 216 HG2 LYS 30 HG2 LYS 30 -8.871 -14.107 -19.116 217 HG3 LYS 30 HG1 LYS 30 -10.582 -13.955 -19.514 218 HD2 LYS 30 HD2 LYS 30 -10.237 -15.447 -21.168 219 HD3 LYS 30 HD1 LYS 30 -9.294 -14.205 -21.993 220 HE2 LYS 30 HE2 LYS 30 -8.254 -16.300 -20.066 221 HE3 LYS 30 HE1 LYS 30 -7.904 -16.175 -21.790 222 HZ1 LYS 30 HZ1 LYS 30 -6.604 -14.911 -19.641 223 HZ2 LYS 30 HZ2 LYS 30 -7.296 -13.719 -20.635 224 HZ3 LYS 30 HZ3 LYS 30 -6.219 -14.855 -21.292 225 H TYR 31 HN TYR 31 -8.001 -9.335 -19.607 226 HA TYR 31 HA TYR 31 -10.413 -7.852 -20.329 227 HB2 TYR 31 HB2 TYR 31 -10.274 -6.225 -18.675 228 HB3 TYR 31 HB1 TYR 31 -9.853 -7.680 -17.770 229 HD1 TYR 31 HD2 TYR 31 -7.359 -8.287 -17.568 230 HD2 TYR 31 HD1 TYR 31 -8.759 -4.422 -18.814 231 HE1 TYR 31 HE2 TYR 31 -5.145 -7.310 -17.022 232 HE2 TYR 31 HE1 TYR 31 -6.546 -3.444 -18.268 233 HH TYR 31 HH TYR 31 -4.130 -4.348 -18.099 234 H ASP 32 HN ASP 32 -9.920 -5.771 -21.332 235 HA ASP 32 HA ASP 32 -7.146 -5.264 -22.058 236 HB2 ASP 32 HB2 ASP 32 -8.475 -6.953 -23.699 237 HB3 ASP 32 HB1 ASP 32 -8.939 -5.406 -24.407 238 H ILE 33 HN ILE 33 -6.775 -3.146 -22.399 239 HA ILE 33 HA ILE 33 -9.126 -1.364 -22.605 240 HB ILE 33 HB ILE 33 -7.307 0.283 -21.585 241 HG12 ILE 33 HG12 ILE 33 -6.482 -2.453 -20.562 242 HG13 ILE 33 HG11 ILE 33 -5.516 -1.430 -21.626 243 HG21 ILE 33 HG21 ILE 33 -9.268 -1.597 -20.411 244 HG22 ILE 33 HG22 ILE 33 -9.139 0.152 -20.229 245 HG23 ILE 33 HG23 ILE 33 -8.110 -0.912 -19.270 246 HD11 ILE 33 HD11 ILE 33 -6.419 -0.730 -18.817 247 HD12 ILE 33 HD12 ILE 33 -5.523 0.346 -19.889 248 HD13 ILE 33 HD13 ILE 33 -4.776 -1.143 -19.309 249 H ASP 34 HN ASP 34 -9.260 -0.515 -24.594 250 HA ASP 34 HA ASP 34 -6.755 0.005 -26.069 251 HB2 ASP 34 HB2 ASP 34 -9.595 -0.345 -27.048 252 HB3 ASP 34 HB1 ASP 34 -8.235 0.101 -28.076 253 H LEU 35 HN LEU 35 -6.143 2.000 -25.448 254 HA LEU 35 HA LEU 35 -7.824 4.168 -24.851 255 HB2 LEU 35 HB2 LEU 35 -5.049 3.642 -24.903 256 HB3 LEU 35 HB1 LEU 35 -5.306 5.081 -25.890 257 HG LEU 35 HG LEU 35 -4.973 5.713 -23.541 258 HD11 LEU 35 HD11 LEU 35 -7.066 6.507 -25.196 259 HD12 LEU 35 HD12 LEU 35 -6.510 7.358 -23.754 260 HD13 LEU 35 HD13 LEU 35 -7.849 6.216 -23.643 261 HD21 LEU 35 HD21 LEU 35 -5.785 4.405 -21.896 262 HD22 LEU 35 HD22 LEU 35 -6.596 3.398 -23.093 263 HD23 LEU 35 HD23 LEU 35 -7.430 4.789 -22.399 264 HA PRO 36 HA PRO 36 -6.851 5.856 -29.303 265 HB2 PRO 36 HB2 PRO 36 -6.364 3.831 -31.157 266 HB3 PRO 36 HB1 PRO 36 -5.139 4.887 -30.434 267 HG2 PRO 36 HG2 PRO 36 -5.869 2.101 -29.765 268 HG3 PRO 36 HG1 PRO 36 -4.300 2.917 -29.676 269 HD2 PRO 36 HD2 PRO 36 -5.806 2.376 -27.473 270 HD3 PRO 36 HD1 PRO 36 -4.708 3.768 -27.565 271 H ASN 37 HN ASN 37 -8.450 2.764 -28.806 272 HA ASN 37 HA ASN 37 -10.503 3.476 -30.789 273 HB2 ASN 37 HB2 ASN 37 -9.591 0.947 -29.531 274 HB3 ASN 37 HB1 ASN 37 -11.300 1.066 -29.933 275 HD21 ASN 37 HD21 ASN 37 -8.181 1.995 -31.515 276 HD22 ASN 37 HD22 ASN 37 -8.613 1.379 -33.037 277 H LYS 38 HN LYS 38 -9.906 3.799 -27.504 278 HA LYS 38 HA LYS 38 -11.225 4.303 -25.685 279 HB2 LYS 38 HB2 LYS 38 -13.538 5.050 -27.383 280 HB3 LYS 38 HB1 LYS 38 -12.751 5.950 -26.086 281 HG2 LYS 38 HG2 LYS 38 -10.752 6.138 -27.754 282 HG3 LYS 38 HG1 LYS 38 -11.950 5.724 -28.982 283 HD2 LYS 38 HD2 LYS 38 -13.332 7.623 -27.661 284 HD3 LYS 38 HD1 LYS 38 -11.695 8.196 -27.346 285 HE2 LYS 38 HE2 LYS 38 -12.445 9.228 -29.396 286 HE3 LYS 38 HE1 LYS 38 -11.241 8.013 -29.823 287 HZ1 LYS 38 HZ1 LYS 38 -14.079 8.082 -30.382 288 HZ2 LYS 38 HZ2 LYS 38 -13.494 6.573 -29.860 289 HZ3 LYS 38 HZ3 LYS 38 -12.824 7.321 -31.230 290 H LYS 39 HN LYS 39 -11.306 1.603 -26.550 291 HA LYS 39 HA LYS 39 -14.049 0.883 -25.717 292 HB2 LYS 39 HB2 LYS 39 -12.356 -0.452 -27.841 293 HB3 LYS 39 HB1 LYS 39 -13.846 -1.131 -27.186 294 HG2 LYS 39 HG2 LYS 39 -14.764 1.308 -27.818 295 HG3 LYS 39 HG1 LYS 39 -13.460 1.202 -29.001 296 HD2 LYS 39 HD2 LYS 39 -15.115 0.166 -30.222 297 HD3 LYS 39 HD1 LYS 39 -14.503 -1.241 -29.352 298 HE2 LYS 39 HE2 LYS 39 -16.668 -1.507 -28.710 299 HE3 LYS 39 HE1 LYS 39 -16.295 -0.238 -27.543 300 HZ1 LYS 39 HZ1 LYS 39 -17.722 1.094 -28.556 301 HZ2 LYS 39 HZ2 LYS 39 -18.136 -0.157 -29.630 302 HZ3 LYS 39 HZ3 LYS 39 -16.894 0.933 -30.027 303 H VAL 40 HN VAL 40 -14.228 -1.067 -24.521 304 HA VAL 40 HA VAL 40 -11.685 -2.131 -23.466 305 HB VAL 40 HB VAL 40 -14.154 -1.444 -21.849 306 HG11 VAL 40 HG11 VAL 40 -13.339 -2.776 -20.225 307 HG12 VAL 40 HG12 VAL 40 -11.735 -2.059 -20.371 308 HG13 VAL 40 HG13 VAL 40 -12.194 -3.410 -21.407 309 HG21 VAL 40 HG21 VAL 40 -11.355 -0.271 -21.773 310 HG22 VAL 40 HG22 VAL 40 -12.733 0.241 -20.798 311 HG23 VAL 40 HG23 VAL 40 -12.739 0.504 -22.541 312 H CYS 41 HN CYS 41 -11.577 -4.250 -23.836 313 HA CYS 41 HA CYS 41 -14.096 -5.758 -24.150 314 HB2 CYS 41 HB2 CYS 41 -11.873 -7.297 -25.005 315 HB3 CYS 41 HB1 CYS 41 -13.137 -6.575 -26.000 316 HG CYS 41 HG CYS 41 -10.492 -5.063 -25.273 317 H ILE 42 HN ILE 42 -14.648 -6.848 -22.375 318 HA ILE 42 HA ILE 42 -12.505 -8.187 -20.851 319 HB ILE 42 HB ILE 42 -13.057 -6.683 -19.241 320 HG12 ILE 42 HG12 ILE 42 -15.567 -8.359 -18.981 321 HG13 ILE 42 HG11 ILE 42 -13.972 -8.953 -18.521 322 HG21 ILE 42 HG21 ILE 42 -14.486 -5.387 -20.789 323 HG22 ILE 42 HG22 ILE 42 -15.184 -5.458 -19.170 324 HG23 ILE 42 HG23 ILE 42 -15.827 -6.483 -20.454 325 HD11 ILE 42 HD11 ILE 42 -14.513 -6.303 -17.421 326 HD12 ILE 42 HD12 ILE 42 -13.988 -7.772 -16.597 327 HD13 ILE 42 HD13 ILE 42 -15.704 -7.496 -16.899 328 H GLU 43 HN GLU 43 -12.798 -10.284 -20.415 329 HA GLU 43 HA GLU 43 -15.406 -11.485 -21.131 330 HB2 GLU 43 HB2 GLU 43 -13.808 -12.474 -22.554 331 HB3 GLU 43 HB1 GLU 43 -12.575 -12.508 -21.293 332 HG2 GLU 43 HG2 GLU 43 -13.629 -14.301 -20.154 333 HG3 GLU 43 HG1 GLU 43 -15.139 -14.082 -21.037 334 H SER 44 HN SER 44 -16.565 -11.949 -19.360 335 HA SER 44 HA SER 44 -15.106 -12.944 -16.993 336 HB2 SER 44 HB2 SER 44 -15.730 -10.740 -16.394 337 HB3 SER 44 HB1 SER 44 -17.319 -10.904 -17.135 338 HG SER 44 HG SER 44 -17.851 -11.400 -15.147 339 H GLU 45 HN GLU 45 -16.477 -14.148 -15.485 340 HA GLU 45 HA GLU 45 -18.135 -16.031 -16.939 341 HB2 GLU 45 HB2 GLU 45 -17.429 -16.016 -14.002 342 HB3 GLU 45 HB1 GLU 45 -17.947 -17.385 -14.981 343 HG2 GLU 45 HG2 GLU 45 -15.881 -17.072 -16.390 344 HG3 GLU 45 HG1 GLU 45 -15.342 -15.859 -15.230 345 H HIS 46 HN HIS 46 -18.517 -13.253 -14.971 346 HA HIS 46 HA HIS 46 -21.244 -13.951 -14.168 347 HB2 HIS 46 HB2 HIS 46 -19.513 -12.732 -12.682 348 HB3 HIS 46 HB1 HIS 46 -19.895 -11.312 -13.656 349 HD1 HIS 46 HD1 HIS 46 -20.796 -12.495 -10.552 350 HD2 HIS 46 HD2 HIS 46 -23.105 -11.441 -13.859 351 HE1 HIS 46 HE1 HIS 46 -23.121 -12.008 -9.675 352 H SER 47 HN SER 47 -19.578 -11.355 -15.933 353 HA SER 47 HA SER 47 -20.271 -9.952 -17.610 354 HB2 SER 47 HB2 SER 47 -22.009 -12.362 -18.084 355 HB3 SER 47 HB1 SER 47 -22.111 -10.935 -19.111 356 HG SER 47 HG SER 47 -19.987 -11.207 -19.674 357 H MET 48 HN MET 48 -21.223 -8.104 -17.102 358 HA MET 48 HA MET 48 -23.016 -6.633 -16.870 359 HB2 MET 48 HB2 MET 48 -24.376 -8.822 -17.630 360 HB3 MET 48 HB1 MET 48 -24.913 -8.727 -15.952 361 HG2 MET 48 HG2 MET 48 -26.460 -7.283 -16.815 362 HG3 MET 48 HG1 MET 48 -25.143 -6.119 -16.668 363 HE1 MET 48 HE1 MET 48 -26.308 -8.614 -20.269 364 HE2 MET 48 HE2 MET 48 -27.608 -7.753 -19.450 365 HE3 MET 48 HE3 MET 48 -26.600 -8.878 -18.545 366 H ASP 49 HN ASP 49 -21.282 -6.566 -14.995 367 HA ASP 49 HA ASP 49 -22.573 -5.788 -12.666 368 HB2 ASP 49 HB2 ASP 49 -22.566 -8.565 -12.804 369 HB3 ASP 49 HB1 ASP 49 -21.212 -8.189 -11.742 370 H THR 50 HN THR 50 -19.678 -7.404 -13.894 371 HA THR 50 HA THR 50 -17.917 -6.096 -12.024 372 HB THR 50 HB THR 50 -17.069 -8.152 -12.700 373 HG1 THR 50 HG1 THR 50 -15.812 -6.870 -14.785 374 HG21 THR 50 HG21 THR 50 -18.314 -7.422 -15.316 375 HG22 THR 50 HG22 THR 50 -18.407 -8.934 -14.411 376 HG23 THR 50 HG23 THR 50 -16.955 -8.547 -15.333 377 H LEU 51 HN LEU 51 -18.841 -5.667 -15.407 378 HA LEU 51 HA LEU 51 -16.932 -3.696 -16.071 379 HB2 LEU 51 HB2 LEU 51 -19.672 -3.818 -17.298 380 HB3 LEU 51 HB1 LEU 51 -18.130 -3.436 -18.061 381 HG LEU 51 HG LEU 51 -17.633 -5.955 -17.125 382 HD11 LEU 51 HD11 LEU 51 -19.501 -7.321 -17.198 383 HD12 LEU 51 HD12 LEU 51 -20.371 -6.249 -18.297 384 HD13 LEU 51 HD13 LEU 51 -20.240 -5.841 -16.586 385 HD21 LEU 51 HD21 LEU 51 -18.983 -5.414 -19.781 386 HD22 LEU 51 HD22 LEU 51 -17.768 -6.638 -19.422 387 HD23 LEU 51 HD23 LEU 51 -17.320 -4.932 -19.446 388 H LEU 52 HN LEU 52 -20.327 -3.370 -15.025 389 HA LEU 52 HA LEU 52 -20.485 -0.585 -15.181 390 HB2 LEU 52 HB2 LEU 52 -22.162 -1.142 -13.108 391 HB3 LEU 52 HB1 LEU 52 -22.582 -1.334 -14.809 392 HG LEU 52 HG LEU 52 -21.192 -3.563 -13.346 393 HD11 LEU 52 HD11 LEU 52 -23.860 -2.514 -12.804 394 HD12 LEU 52 HD12 LEU 52 -22.953 -3.756 -11.943 395 HD13 LEU 52 HD13 LEU 52 -23.915 -4.188 -13.356 396 HD21 LEU 52 HD21 LEU 52 -21.670 -4.728 -15.230 397 HD22 LEU 52 HD22 LEU 52 -22.050 -3.166 -15.963 398 HD23 LEU 52 HD23 LEU 52 -23.334 -4.145 -15.257 399 H ALA 53 HN ALA 53 -19.665 -2.605 -12.353 400 HA ALA 53 HA ALA 53 -19.343 -0.548 -10.496 401 HB1 ALA 53 HB1 ALA 53 -17.656 -3.052 -10.591 402 HB2 ALA 53 HB2 ALA 53 -19.338 -3.043 -10.059 403 HB3 ALA 53 HB3 ALA 53 -18.127 -2.118 -9.171 404 H THR 54 HN THR 54 -16.908 -2.004 -12.653 405 HA THR 54 HA THR 54 -14.763 -0.351 -11.772 406 HB THR 54 HB THR 54 -15.098 -1.853 -14.378 407 HG1 THR 54 HG1 THR 54 -15.231 -3.084 -12.408 408 HG21 THR 54 HG21 THR 54 -12.441 -1.366 -13.153 409 HG22 THR 54 HG22 THR 54 -13.225 0.036 -13.873 410 HG23 THR 54 HG23 THR 54 -12.907 -1.394 -14.851 411 H LEU 55 HN LEU 55 -16.829 -0.233 -14.677 412 HA LEU 55 HA LEU 55 -15.676 2.105 -15.759 413 HB2 LEU 55 HB2 LEU 55 -18.229 0.604 -16.169 414 HB3 LEU 55 HB1 LEU 55 -18.066 2.211 -16.874 415 HG LEU 55 HG LEU 55 -16.202 1.570 -18.191 416 HD11 LEU 55 HD11 LEU 55 -16.031 -0.738 -16.267 417 HD12 LEU 55 HD12 LEU 55 -14.770 0.397 -16.745 418 HD13 LEU 55 HD13 LEU 55 -15.295 -0.860 -17.863 419 HD21 LEU 55 HD21 LEU 55 -16.984 -0.508 -19.359 420 HD22 LEU 55 HD22 LEU 55 -18.277 0.663 -19.094 421 HD23 LEU 55 HD23 LEU 55 -18.146 -0.756 -18.056 422 H LYS 56 HN LYS 56 -18.536 1.648 -13.690 423 HA LYS 56 HA LYS 56 -19.174 4.440 -13.594 424 HB2 LYS 56 HB2 LYS 56 -20.047 2.119 -11.866 425 HB3 LYS 56 HB1 LYS 56 -20.701 3.752 -11.739 426 HG2 LYS 56 HG2 LYS 56 -21.646 3.667 -13.908 427 HG3 LYS 56 HG1 LYS 56 -20.669 2.273 -14.369 428 HD2 LYS 56 HD2 LYS 56 -22.845 1.402 -13.933 429 HD3 LYS 56 HD1 LYS 56 -21.883 0.995 -12.511 430 HE2 LYS 56 HE2 LYS 56 -22.851 2.739 -11.222 431 HE3 LYS 56 HE1 LYS 56 -23.519 3.530 -12.649 432 HZ1 LYS 56 HZ1 LYS 56 -24.921 1.913 -11.074 433 HZ2 LYS 56 HZ2 LYS 56 -24.358 0.786 -12.214 434 HZ3 LYS 56 HZ3 LYS 56 -25.260 2.134 -12.721 435 H LYS 57 HN LYS 57 -16.739 2.624 -12.111 436 HA LYS 57 HA LYS 57 -16.608 3.652 -9.525 437 HB2 LYS 57 HB2 LYS 57 -15.031 2.001 -11.045 438 HB3 LYS 57 HB1 LYS 57 -13.997 3.414 -10.837 439 HG2 LYS 57 HG2 LYS 57 -15.444 2.096 -8.531 440 HG3 LYS 57 HG1 LYS 57 -13.813 1.638 -9.020 441 HD2 LYS 57 HD2 LYS 57 -12.895 3.503 -8.124 442 HD3 LYS 57 HD1 LYS 57 -14.180 4.540 -8.747 443 HE2 LYS 57 HE2 LYS 57 -14.441 2.728 -6.330 444 HE3 LYS 57 HE1 LYS 57 -14.153 4.467 -6.258 445 HZ1 LYS 57 HZ1 LYS 57 -16.565 3.011 -7.055 446 HZ2 LYS 57 HZ2 LYS 57 -16.241 4.495 -7.816 447 HZ3 LYS 57 HZ3 LYS 57 -16.411 4.423 -6.127 448 H THR 58 HN THR 58 -15.028 4.962 -12.464 449 HA THR 58 HA THR 58 -14.256 7.360 -11.020 450 HB THR 58 HB THR 58 -13.915 7.622 -13.855 451 HG1 THR 58 HG1 THR 58 -12.406 5.487 -13.231 452 HG21 THR 58 HG21 THR 58 -11.854 6.940 -11.748 453 HG22 THR 58 HG22 THR 58 -12.547 8.553 -11.924 454 HG23 THR 58 HG23 THR 58 -11.608 7.847 -13.240 455 H GLY 59 HN GLY 59 -17.151 6.431 -11.953 456 HA2 GLY 59 HA2 GLY 59 -19.115 7.605 -12.280 457 HA3 GLY 59 HA1 GLY 59 -18.182 9.094 -12.173 458 H ALA 60 HN ALA 60 -16.994 6.837 -14.439 459 HA ALA 60 HA ALA 60 -17.554 8.609 -16.635 460 HB1 ALA 60 HB1 ALA 60 -16.162 7.217 -17.911 461 HB2 ALA 60 HB2 ALA 60 -16.521 5.799 -16.927 462 HB3 ALA 60 HB3 ALA 60 -15.493 7.080 -16.286 463 H THR 61 HN THR 61 -18.844 8.203 -18.449 464 HA THR 61 HA THR 61 -21.323 6.924 -17.957 465 HB THR 61 HB THR 61 -21.080 8.791 -19.544 466 HG1 THR 61 HG1 THR 61 -21.934 6.325 -20.650 467 HG21 THR 61 HG21 THR 61 -18.866 7.391 -20.434 468 HG22 THR 61 HG22 THR 61 -19.589 8.780 -21.243 469 HG23 THR 61 HG23 THR 61 -20.035 7.146 -21.731 470 H VAL 62 HN VAL 62 -22.023 4.896 -18.338 471 HA VAL 62 HA VAL 62 -20.172 3.059 -19.739 472 HB VAL 62 HB VAL 62 -20.359 2.670 -17.271 473 HG11 VAL 62 HG11 VAL 62 -23.214 1.931 -17.983 474 HG12 VAL 62 HG12 VAL 62 -22.746 3.382 -17.097 475 HG13 VAL 62 HG13 VAL 62 -22.464 1.790 -16.392 476 HG21 VAL 62 HG21 VAL 62 -19.994 0.486 -17.734 477 HG22 VAL 62 HG22 VAL 62 -20.450 0.852 -19.399 478 HG23 VAL 62 HG23 VAL 62 -21.661 0.258 -18.264 479 H SER 63 HN SER 63 -20.979 1.825 -21.339 480 HA SER 63 HA SER 63 -23.900 1.634 -21.659 481 HB2 SER 63 HB2 SER 63 -23.518 3.365 -23.175 482 HB3 SER 63 HB1 SER 63 -21.925 2.759 -23.620 483 HG SER 63 HG SER 63 -22.887 1.125 -24.770 484 H TYR 64 HN TYR 64 -24.436 -0.442 -21.850 485 HA TYR 64 HA TYR 64 -22.439 -2.451 -22.389 486 HB2 TYR 64 HB2 TYR 64 -23.935 -3.917 -21.511 487 HB3 TYR 64 HB1 TYR 64 -24.732 -2.456 -20.933 488 HD1 TYR 64 HD2 TYR 64 -24.783 -5.136 -23.464 489 HD2 TYR 64 HD1 TYR 64 -26.765 -1.620 -21.993 490 HE1 TYR 64 HE2 TYR 64 -26.781 -5.695 -24.822 491 HE2 TYR 64 HE1 TYR 64 -28.763 -2.179 -23.351 492 HH TYR 64 HH TYR 64 -29.560 -4.888 -24.419 493 H LEU 65 HN LEU 65 -21.831 -3.097 -24.341 494 HA LEU 65 HA LEU 65 -23.278 -2.296 -26.707 495 HB2 LEU 65 HB2 LEU 65 -20.754 -3.873 -26.220 496 HB3 LEU 65 HB1 LEU 65 -21.442 -3.691 -27.835 497 HG LEU 65 HG LEU 65 -21.103 -1.232 -26.167 498 HD11 LEU 65 HD11 LEU 65 -18.911 -2.962 -27.195 499 HD12 LEU 65 HD12 LEU 65 -18.909 -1.829 -25.844 500 HD13 LEU 65 HD13 LEU 65 -18.755 -1.231 -27.496 501 HD21 LEU 65 HD21 LEU 65 -20.567 -1.736 -29.104 502 HD22 LEU 65 HD22 LEU 65 -20.863 -0.189 -28.310 503 HD23 LEU 65 HD23 LEU 65 -22.173 -1.357 -28.484 504 H GLY 66 HN GLY 66 -22.704 -5.298 -24.935 505 HA2 GLY 66 HA2 GLY 66 -24.773 -6.785 -25.046 506 HA3 GLY 66 HA1 GLY 66 -24.525 -6.707 -26.788 507 H LEU 67 HN LEU 67 -24.561 -9.163 -25.657 508 HA LEU 67 HA LEU 67 -21.794 -9.975 -25.145 509 HB2 LEU 67 HB2 LEU 67 -24.378 -11.553 -25.089 510 HB3 LEU 67 HB1 LEU 67 -22.790 -12.188 -24.656 511 HG LEU 67 HG LEU 67 -23.821 -9.697 -23.326 512 HD11 LEU 67 HD11 LEU 67 -24.647 -12.546 -22.827 513 HD12 LEU 67 HD12 LEU 67 -25.638 -11.086 -22.826 514 HD13 LEU 67 HD13 LEU 67 -24.544 -11.412 -21.482 515 HD21 LEU 67 HD21 LEU 67 -22.430 -10.772 -21.451 516 HD22 LEU 67 HD22 LEU 67 -21.536 -10.188 -22.855 517 HD23 LEU 67 HD23 LEU 67 -21.866 -11.911 -22.674 518 H GLU 68 HN GLU 68 -20.685 -11.460 -26.423 519 HA GLU 68 HA GLU 68 -21.351 -11.379 -29.236 520 HB2 GLU 68 HB2 GLU 68 -19.002 -11.242 -28.218 521 HB3 GLU 68 HB1 GLU 68 -19.130 -12.985 -27.980 522 HG2 GLU 68 HG2 GLU 68 -19.384 -13.380 -30.325 523 HG3 GLU 68 HG1 GLU 68 -19.618 -11.664 -30.655 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -15.484 -16.399 -19.676 2 H2 MET 1 HT2 MET 1 -14.817 -17.850 -19.098 3 H3 MET 1 HT3 MET 1 -16.487 -17.735 -19.387 4 HA MET 1 HA MET 1 -14.280 -17.880 -21.341 5 HB2 MET 1 HB2 MET 1 -16.034 -19.752 -20.285 6 HB3 MET 1 HB1 MET 1 -16.793 -19.311 -21.815 7 HG2 MET 1 HG2 MET 1 -14.812 -19.868 -23.056 8 HG3 MET 1 HG1 MET 1 -13.863 -20.037 -21.579 9 HE1 MET 1 HE1 MET 1 -13.677 -23.674 -22.027 10 HE2 MET 1 HE2 MET 1 -12.940 -22.133 -21.598 11 HE3 MET 1 HE3 MET 1 -13.397 -22.447 -23.270 12 HA PRO 2 HA PRO 2 -18.333 -16.150 -23.510 13 HB2 PRO 2 HB2 PRO 2 -19.389 -14.547 -21.252 14 HB3 PRO 2 HB1 PRO 2 -20.259 -15.563 -22.416 15 HG2 PRO 2 HG2 PRO 2 -19.907 -16.289 -19.858 16 HG3 PRO 2 HG1 PRO 2 -19.961 -17.463 -21.184 17 HD2 PRO 2 HD2 PRO 2 -17.598 -16.467 -19.645 18 HD3 PRO 2 HD1 PRO 2 -17.887 -18.069 -20.359 19 H LYS 3 HN LYS 3 -18.212 -14.205 -24.625 20 HA LYS 3 HA LYS 3 -16.185 -12.312 -23.648 21 HB2 LYS 3 HB2 LYS 3 -17.369 -12.706 -26.407 22 HB3 LYS 3 HB1 LYS 3 -16.130 -11.519 -25.998 23 HG2 LYS 3 HG2 LYS 3 -14.940 -13.690 -24.978 24 HG3 LYS 3 HG1 LYS 3 -15.914 -14.485 -26.214 25 HD2 LYS 3 HD2 LYS 3 -13.974 -13.979 -27.409 26 HD3 LYS 3 HD1 LYS 3 -14.987 -12.580 -27.771 27 HE2 LYS 3 HE2 LYS 3 -13.906 -11.463 -25.731 28 HE3 LYS 3 HE1 LYS 3 -12.724 -12.772 -25.776 29 HZ1 LYS 3 HZ1 LYS 3 -12.461 -12.142 -28.216 30 HZ2 LYS 3 HZ2 LYS 3 -11.779 -11.100 -27.059 31 HZ3 LYS 3 HZ3 LYS 3 -13.249 -10.696 -27.810 32 H HIS 4 HN HIS 4 -16.798 -10.426 -22.823 33 HA HIS 4 HA HIS 4 -19.505 -9.430 -23.477 34 HB2 HIS 4 HB2 HIS 4 -18.460 -10.009 -20.995 35 HB3 HIS 4 HB1 HIS 4 -18.184 -8.272 -21.128 36 HD1 HIS 4 HD1 HIS 4 -20.730 -10.633 -20.191 37 HD2 HIS 4 HD2 HIS 4 -20.745 -6.896 -22.037 38 HE1 HIS 4 HE1 HIS 4 -23.092 -9.744 -19.986 39 H GLU 5 HN GLU 5 -19.736 -7.394 -24.264 40 HA GLU 5 HA GLU 5 -17.249 -5.838 -24.646 41 HB2 GLU 5 HB2 GLU 5 -19.517 -6.472 -26.435 42 HB3 GLU 5 HB1 GLU 5 -18.951 -4.802 -26.488 43 HG2 GLU 5 HG2 GLU 5 -16.656 -5.569 -26.894 44 HG3 GLU 5 HG1 GLU 5 -17.185 -7.247 -26.790 45 H PHE 6 HN PHE 6 -17.145 -3.895 -23.739 46 HA PHE 6 HA PHE 6 -19.646 -2.517 -23.000 47 HB2 PHE 6 HB2 PHE 6 -17.645 -3.607 -21.203 48 HB3 PHE 6 HB1 PHE 6 -17.769 -1.857 -21.016 49 HD1 PHE 6 HD1 PHE 6 -20.141 -4.708 -21.648 50 HD2 PHE 6 HD2 PHE 6 -19.265 -1.167 -19.382 51 HE1 PHE 6 HE1 PHE 6 -22.252 -4.998 -20.381 52 HE2 PHE 6 HE2 PHE 6 -21.376 -1.455 -18.113 53 HZ PHE 6 HZ PHE 6 -22.871 -3.372 -18.612 54 H SER 7 HN SER 7 -19.610 -0.325 -23.312 55 HA SER 7 HA SER 7 -17.108 0.773 -24.441 56 HB2 SER 7 HB2 SER 7 -18.723 0.856 -26.149 57 HB3 SER 7 HB1 SER 7 -20.006 1.322 -25.035 58 HG SER 7 HG SER 7 -18.537 3.245 -24.685 59 H VAL 8 HN VAL 8 -16.076 2.107 -23.124 60 HA VAL 8 HA VAL 8 -17.668 3.946 -21.449 61 HB VAL 8 HB VAL 8 -16.776 2.130 -20.047 62 HG11 VAL 8 HG11 VAL 8 -13.982 2.919 -20.205 63 HG12 VAL 8 HG12 VAL 8 -14.567 2.330 -21.762 64 HG13 VAL 8 HG13 VAL 8 -14.693 1.309 -20.331 65 HG21 VAL 8 HG21 VAL 8 -16.774 3.865 -18.588 66 HG22 VAL 8 HG22 VAL 8 -16.092 4.970 -19.780 67 HG23 VAL 8 HG23 VAL 8 -15.031 3.916 -18.845 68 H ASP 9 HN ASP 9 -17.076 6.026 -21.577 69 HA ASP 9 HA ASP 9 -14.793 6.719 -23.267 70 HB2 ASP 9 HB2 ASP 9 -17.240 7.803 -23.174 71 HB3 ASP 9 HB1 ASP 9 -16.461 8.811 -21.956 72 H MET 10 HN MET 10 -12.859 6.867 -22.307 73 HA MET 10 HA MET 10 -12.514 7.096 -19.504 74 HB2 MET 10 HB2 MET 10 -10.433 7.766 -21.583 75 HB3 MET 10 HB1 MET 10 -10.179 7.150 -19.949 76 HG2 MET 10 HG2 MET 10 -11.926 5.348 -21.340 77 HG3 MET 10 HG1 MET 10 -10.508 5.649 -22.347 78 HE1 MET 10 HE1 MET 10 -10.988 2.490 -20.632 79 HE2 MET 10 HE2 MET 10 -9.328 2.478 -21.222 80 HE3 MET 10 HE3 MET 10 -10.583 3.283 -22.161 81 H THR 11 HN THR 11 -12.858 8.835 -18.309 82 HA THR 11 HA THR 11 -12.416 11.504 -19.504 83 HB THR 11 HB THR 11 -14.048 10.889 -17.037 84 HG1 THR 11 HG1 THR 11 -14.846 11.106 -19.750 85 HG21 THR 11 HG21 THR 11 -14.161 13.218 -18.963 86 HG22 THR 11 HG22 THR 11 -13.192 13.229 -17.491 87 HG23 THR 11 HG23 THR 11 -14.947 13.088 -17.390 88 H CYS 12 HN CYS 12 -11.921 9.501 -16.642 89 HA CYS 12 HA CYS 12 -10.071 11.476 -15.508 90 HB2 CYS 12 HB2 CYS 12 -11.695 9.249 -14.451 91 HB3 CYS 12 HB1 CYS 12 -10.101 9.438 -13.722 92 HG CYS 12 HG CYS 12 -12.174 11.782 -13.822 93 H GLY 13 HN GLY 13 -9.326 10.104 -17.915 94 HA2 GLY 13 HA2 GLY 13 -7.875 7.985 -18.196 95 HA3 GLY 13 HA1 GLY 13 -7.082 9.525 -18.512 96 H GLY 14 HN GLY 14 -6.700 10.570 -16.042 97 HA2 GLY 14 HA2 GLY 14 -4.437 9.165 -15.077 98 HA3 GLY 14 HA1 GLY 14 -5.211 10.538 -14.287 99 H CYS 15 HN CYS 15 -7.645 9.730 -13.604 100 HA CYS 15 HA CYS 15 -7.115 7.732 -11.554 101 HB2 CYS 15 HB2 CYS 15 -8.932 9.954 -11.902 102 HB3 CYS 15 HB1 CYS 15 -9.811 8.500 -11.428 103 HG CYS 15 HG CYS 15 -7.471 8.617 -9.636 104 H ALA 16 HN ALA 16 -9.256 8.153 -14.360 105 HA ALA 16 HA ALA 16 -10.824 5.863 -14.090 106 HB1 ALA 16 HB1 ALA 16 -10.904 7.785 -15.855 107 HB2 ALA 16 HB2 ALA 16 -11.432 6.171 -16.324 108 HB3 ALA 16 HB3 ALA 16 -9.829 6.744 -16.786 109 H GLU 17 HN GLU 17 -7.528 6.219 -15.296 110 HA GLU 17 HA GLU 17 -7.289 3.646 -16.463 111 HB2 GLU 17 HB2 GLU 17 -5.649 5.273 -17.046 112 HB3 GLU 17 HB1 GLU 17 -5.246 5.573 -15.355 113 HG2 GLU 17 HG2 GLU 17 -3.851 3.792 -15.256 114 HG3 GLU 17 HG1 GLU 17 -4.983 2.753 -16.120 115 H ALA 18 HN ALA 18 -6.487 4.877 -13.222 116 HA ALA 18 HA ALA 18 -5.467 2.426 -12.221 117 HB1 ALA 18 HB1 ALA 18 -4.908 3.871 -10.596 118 HB2 ALA 18 HB2 ALA 18 -6.587 3.825 -10.057 119 HB3 ALA 18 HB3 ALA 18 -6.060 5.066 -11.194 120 H VAL 19 HN VAL 19 -8.662 3.728 -12.619 121 HA VAL 19 HA VAL 19 -10.057 2.000 -10.855 122 HB VAL 19 HB VAL 19 -10.789 3.770 -13.148 123 HG11 VAL 19 HG11 VAL 19 -13.186 3.006 -12.808 124 HG12 VAL 19 HG12 VAL 19 -12.537 1.606 -11.952 125 HG13 VAL 19 HG13 VAL 19 -12.150 1.856 -13.654 126 HG21 VAL 19 HG21 VAL 19 -11.611 3.461 -10.248 127 HG22 VAL 19 HG22 VAL 19 -12.363 4.612 -11.352 128 HG23 VAL 19 HG23 VAL 19 -10.650 4.762 -10.953 129 H SER 20 HN SER 20 -9.077 1.750 -14.237 130 HA SER 20 HA SER 20 -10.566 -0.497 -14.986 131 HB2 SER 20 HB2 SER 20 -9.519 0.245 -16.850 132 HB3 SER 20 HB1 SER 20 -8.152 0.883 -15.944 133 HG SER 20 HG SER 20 -8.317 -1.381 -17.323 134 H ARG 21 HN ARG 21 -7.455 -0.257 -13.309 135 HA ARG 21 HA ARG 21 -6.821 -3.011 -13.316 136 HB2 ARG 21 HB2 ARG 21 -6.111 -0.874 -11.288 137 HB3 ARG 21 HB1 ARG 21 -5.346 -2.460 -11.410 138 HG2 ARG 21 HG2 ARG 21 -4.397 -1.967 -13.523 139 HG3 ARG 21 HG1 ARG 21 -5.462 -0.581 -13.771 140 HD2 ARG 21 HD2 ARG 21 -4.346 0.445 -11.703 141 HD3 ARG 21 HD1 ARG 21 -3.131 -0.822 -11.862 142 HE ARG 21 HE ARG 21 -3.351 1.528 -13.481 143 HH11 ARG 21 HH21 ARG 21 -2.526 -1.835 -13.497 144 HH12 ARG 21 HH22 ARG 21 -1.431 -1.701 -14.832 145 HH21 ARG 21 HH11 ARG 21 -1.915 1.709 -15.229 146 HH22 ARG 21 HH12 ARG 21 -1.086 0.305 -15.814 147 H VAL 22 HN VAL 22 -8.709 -0.991 -11.139 148 HA VAL 22 HA VAL 22 -9.164 -2.827 -9.077 149 HB VAL 22 HB VAL 22 -9.933 -0.225 -9.638 150 HG11 VAL 22 HG11 VAL 22 -11.934 -1.239 -10.833 151 HG12 VAL 22 HG12 VAL 22 -12.326 -0.122 -9.529 152 HG13 VAL 22 HG13 VAL 22 -12.453 -1.861 -9.267 153 HG21 VAL 22 HG21 VAL 22 -10.814 -2.114 -7.434 154 HG22 VAL 22 HG22 VAL 22 -10.984 -0.360 -7.366 155 HG23 VAL 22 HG23 VAL 22 -9.379 -1.087 -7.431 156 H LEU 23 HN LEU 23 -10.289 -2.828 -12.308 157 HA LEU 23 HA LEU 23 -12.792 -4.049 -12.101 158 HB2 LEU 23 HB2 LEU 23 -12.028 -3.252 -14.242 159 HB3 LEU 23 HB1 LEU 23 -10.641 -4.337 -14.205 160 HG LEU 23 HG LEU 23 -12.128 -6.286 -14.286 161 HD11 LEU 23 HD11 LEU 23 -14.064 -5.510 -13.110 162 HD12 LEU 23 HD12 LEU 23 -14.585 -5.818 -14.766 163 HD13 LEU 23 HD13 LEU 23 -14.285 -4.166 -14.233 164 HD21 LEU 23 HD21 LEU 23 -12.731 -6.099 -16.567 165 HD22 LEU 23 HD22 LEU 23 -11.408 -4.947 -16.385 166 HD23 LEU 23 HD23 LEU 23 -13.076 -4.375 -16.423 167 H ASN 24 HN ASN 24 -9.560 -5.433 -11.866 168 HA ASN 24 HA ASN 24 -10.149 -8.135 -12.166 169 HB2 ASN 24 HB2 ASN 24 -8.152 -6.747 -10.369 170 HB3 ASN 24 HB1 ASN 24 -8.214 -8.496 -10.572 171 HD21 ASN 24 HD21 ASN 24 -6.412 -6.021 -11.606 172 HD22 ASN 24 HD22 ASN 24 -6.097 -6.494 -13.205 173 H LYS 25 HN LYS 25 -10.777 -5.968 -9.490 174 HA LYS 25 HA LYS 25 -11.343 -7.947 -7.526 175 HB2 LYS 25 HB2 LYS 25 -10.844 -5.595 -6.974 176 HB3 LYS 25 HB1 LYS 25 -12.354 -5.101 -7.739 177 HG2 LYS 25 HG2 LYS 25 -13.379 -6.919 -6.087 178 HG3 LYS 25 HG1 LYS 25 -11.921 -6.556 -5.163 179 HD2 LYS 25 HD2 LYS 25 -13.888 -4.476 -6.164 180 HD3 LYS 25 HD1 LYS 25 -13.844 -5.104 -4.516 181 HE2 LYS 25 HE2 LYS 25 -11.237 -4.402 -4.838 182 HE3 LYS 25 HE1 LYS 25 -12.018 -3.196 -5.862 183 HZ1 LYS 25 HZ1 LYS 25 -11.755 -3.017 -3.183 184 HZ2 LYS 25 HZ2 LYS 25 -13.336 -3.618 -3.336 185 HZ3 LYS 25 HZ3 LYS 25 -12.898 -2.168 -4.105 186 H LEU 26 HN LEU 26 -13.436 -6.084 -9.738 187 HA LEU 26 HA LEU 26 -15.807 -7.484 -8.847 188 HB2 LEU 26 HB2 LEU 26 -15.298 -5.055 -10.129 189 HB3 LEU 26 HB1 LEU 26 -16.092 -6.046 -11.354 190 HG LEU 26 HG LEU 26 -17.821 -4.916 -10.125 191 HD11 LEU 26 HD11 LEU 26 -18.001 -7.491 -8.683 192 HD12 LEU 26 HD12 LEU 26 -17.721 -7.628 -10.417 193 HD13 LEU 26 HD13 LEU 26 -19.132 -6.756 -9.819 194 HD21 LEU 26 HD21 LEU 26 -17.233 -4.208 -8.053 195 HD22 LEU 26 HD22 LEU 26 -16.023 -5.479 -7.877 196 HD23 LEU 26 HD23 LEU 26 -17.714 -5.814 -7.505 197 H GLY 27 HN GLY 27 -13.704 -7.505 -11.699 198 HA2 GLY 27 HA2 GLY 27 -15.280 -9.701 -12.850 199 HA3 GLY 27 HA1 GLY 27 -14.059 -8.755 -13.692 200 H GLY 28 HN GLY 28 -11.828 -8.932 -12.274 201 HA2 GLY 28 HA2 GLY 28 -10.044 -10.300 -11.760 202 HA3 GLY 28 HA1 GLY 28 -11.220 -11.444 -11.114 203 H VAL 29 HN VAL 29 -11.570 -10.369 -14.362 204 HA VAL 29 HA VAL 29 -10.554 -12.962 -15.364 205 HB VAL 29 HB VAL 29 -12.316 -12.765 -17.126 206 HG11 VAL 29 HG11 VAL 29 -14.189 -12.810 -15.065 207 HG12 VAL 29 HG12 VAL 29 -12.683 -13.273 -14.273 208 HG13 VAL 29 HG13 VAL 29 -13.271 -14.194 -15.656 209 HG21 VAL 29 HG21 VAL 29 -12.651 -10.187 -15.784 210 HG22 VAL 29 HG22 VAL 29 -14.171 -11.071 -15.921 211 HG23 VAL 29 HG23 VAL 29 -13.228 -10.706 -17.367 212 H LYS 30 HN LYS 30 -10.295 -12.778 -17.877 213 HA LYS 30 HA LYS 30 -8.162 -11.032 -18.390 214 HB2 LYS 30 HB2 LYS 30 -9.161 -13.215 -19.644 215 HB3 LYS 30 HB1 LYS 30 -9.737 -11.943 -20.722 216 HG2 LYS 30 HG2 LYS 30 -7.416 -11.029 -20.819 217 HG3 LYS 30 HG1 LYS 30 -6.870 -12.394 -19.844 218 HD2 LYS 30 HD2 LYS 30 -7.899 -13.907 -21.624 219 HD3 LYS 30 HD1 LYS 30 -8.055 -12.463 -22.626 220 HE2 LYS 30 HE2 LYS 30 -5.959 -13.600 -23.162 221 HE3 LYS 30 HE1 LYS 30 -5.609 -12.062 -22.374 222 HZ1 LYS 30 HZ1 LYS 30 -5.222 -14.778 -21.403 223 HZ2 LYS 30 HZ2 LYS 30 -5.755 -13.641 -20.258 224 HZ3 LYS 30 HZ3 LYS 30 -4.309 -13.380 -21.110 225 H TYR 31 HN TYR 31 -8.014 -9.061 -19.309 226 HA TYR 31 HA TYR 31 -10.418 -7.768 -20.386 227 HB2 TYR 31 HB2 TYR 31 -10.122 -5.790 -18.994 228 HB3 TYR 31 HB1 TYR 31 -10.343 -7.208 -17.969 229 HD1 TYR 31 HD2 TYR 31 -8.128 -8.465 -17.277 230 HD2 TYR 31 HD1 TYR 31 -8.297 -4.381 -18.595 231 HE1 TYR 31 HE2 TYR 31 -5.945 -8.022 -16.185 232 HE2 TYR 31 HE1 TYR 31 -6.116 -3.938 -17.504 233 HH TYR 31 HH TYR 31 -4.040 -5.482 -16.849 234 H ASP 32 HN ASP 32 -9.932 -5.777 -21.553 235 HA ASP 32 HA ASP 32 -7.111 -5.395 -22.278 236 HB2 ASP 32 HB2 ASP 32 -9.324 -6.210 -24.137 237 HB3 ASP 32 HB1 ASP 32 -7.990 -5.221 -24.726 238 H ILE 33 HN ILE 33 -6.599 -3.301 -22.803 239 HA ILE 33 HA ILE 33 -8.816 -1.349 -22.679 240 HB ILE 33 HB ILE 33 -6.732 0.157 -21.993 241 HG12 ILE 33 HG12 ILE 33 -5.981 -2.628 -21.053 242 HG13 ILE 33 HG11 ILE 33 -5.118 -1.704 -22.282 243 HG21 ILE 33 HG21 ILE 33 -8.801 -0.302 -20.667 244 HG22 ILE 33 HG22 ILE 33 -7.351 -0.224 -19.665 245 HG23 ILE 33 HG23 ILE 33 -8.054 -1.788 -20.080 246 HD11 ILE 33 HD11 ILE 33 -4.440 -0.049 -20.712 247 HD12 ILE 33 HD12 ILE 33 -4.171 -1.591 -19.899 248 HD13 ILE 33 HD13 ILE 33 -5.588 -0.620 -19.501 249 H ASP 34 HN ASP 34 -9.173 -0.271 -24.513 250 HA ASP 34 HA ASP 34 -6.928 0.050 -26.415 251 HB2 ASP 34 HB2 ASP 34 -9.835 0.162 -27.189 252 HB3 ASP 34 HB1 ASP 34 -8.432 -0.132 -28.214 253 H LEU 35 HN LEU 35 -6.160 2.036 -25.897 254 HA LEU 35 HA LEU 35 -7.672 4.244 -25.042 255 HB2 LEU 35 HB2 LEU 35 -4.925 3.684 -25.749 256 HB3 LEU 35 HB1 LEU 35 -5.415 5.266 -26.359 257 HG LEU 35 HG LEU 35 -5.865 4.332 -23.509 258 HD11 LEU 35 HD11 LEU 35 -3.512 4.555 -23.723 259 HD12 LEU 35 HD12 LEU 35 -4.046 6.107 -23.078 260 HD13 LEU 35 HD13 LEU 35 -3.660 5.950 -24.791 261 HD21 LEU 35 HD21 LEU 35 -6.579 6.726 -25.107 262 HD22 LEU 35 HD22 LEU 35 -5.921 7.055 -23.505 263 HD23 LEU 35 HD23 LEU 35 -7.362 6.053 -23.677 264 HA PRO 36 HA PRO 36 -7.441 5.908 -29.569 265 HB2 PRO 36 HB2 PRO 36 -7.103 3.970 -31.522 266 HB3 PRO 36 HB1 PRO 36 -5.814 5.003 -30.877 267 HG2 PRO 36 HG2 PRO 36 -6.469 2.184 -30.260 268 HG3 PRO 36 HG1 PRO 36 -4.898 3.000 -30.311 269 HD2 PRO 36 HD2 PRO 36 -6.192 2.366 -27.983 270 HD3 PRO 36 HD1 PRO 36 -5.053 3.721 -28.125 271 H ASN 37 HN ASN 37 -8.932 2.886 -28.703 272 HA ASN 37 HA ASN 37 -11.197 3.442 -30.508 273 HB2 ASN 37 HB2 ASN 37 -10.013 0.996 -29.371 274 HB3 ASN 37 HB1 ASN 37 -11.776 1.037 -29.359 275 HD21 ASN 37 HD21 ASN 37 -9.306 -0.042 -31.237 276 HD22 ASN 37 HD22 ASN 37 -10.002 0.137 -32.775 277 H LYS 38 HN LYS 38 -10.225 3.767 -27.279 278 HA LYS 38 HA LYS 38 -11.342 4.262 -25.328 279 HB2 LYS 38 HB2 LYS 38 -13.684 5.172 -26.963 280 HB3 LYS 38 HB1 LYS 38 -12.981 5.899 -25.518 281 HG2 LYS 38 HG2 LYS 38 -10.860 6.110 -27.151 282 HG3 LYS 38 HG1 LYS 38 -12.141 6.149 -28.365 283 HD2 LYS 38 HD2 LYS 38 -13.247 7.884 -26.722 284 HD3 LYS 38 HD1 LYS 38 -11.598 8.072 -26.126 285 HE2 LYS 38 HE2 LYS 38 -12.736 8.765 -28.802 286 HE3 LYS 38 HE1 LYS 38 -11.575 9.651 -27.812 287 HZ1 LYS 38 HZ1 LYS 38 -10.106 7.570 -28.291 288 HZ2 LYS 38 HZ2 LYS 38 -10.223 8.820 -29.436 289 HZ3 LYS 38 HZ3 LYS 38 -11.127 7.394 -29.634 290 H LYS 39 HN LYS 39 -11.617 1.610 -26.271 291 HA LYS 39 HA LYS 39 -14.238 0.938 -25.101 292 HB2 LYS 39 HB2 LYS 39 -14.248 0.754 -27.638 293 HB3 LYS 39 HB1 LYS 39 -13.068 -0.545 -27.459 294 HG2 LYS 39 HG2 LYS 39 -15.048 -1.189 -25.609 295 HG3 LYS 39 HG1 LYS 39 -15.950 -0.591 -27.002 296 HD2 LYS 39 HD2 LYS 39 -13.764 -2.686 -27.164 297 HD3 LYS 39 HD1 LYS 39 -15.488 -3.055 -27.105 298 HE2 LYS 39 HE2 LYS 39 -14.567 -1.082 -29.149 299 HE3 LYS 39 HE1 LYS 39 -14.199 -2.784 -29.431 300 HZ1 LYS 39 HZ1 LYS 39 -16.265 -2.636 -30.354 301 HZ2 LYS 39 HZ2 LYS 39 -16.802 -1.443 -29.268 302 HZ3 LYS 39 HZ3 LYS 39 -16.694 -3.065 -28.769 303 H VAL 40 HN VAL 40 -14.292 -1.031 -23.971 304 HA VAL 40 HA VAL 40 -11.644 -2.244 -23.467 305 HB VAL 40 HB VAL 40 -12.933 -2.723 -21.158 306 HG11 VAL 40 HG11 VAL 40 -11.564 -0.097 -21.812 307 HG12 VAL 40 HG12 VAL 40 -10.716 -1.611 -21.497 308 HG13 VAL 40 HG13 VAL 40 -11.673 -0.854 -20.224 309 HG21 VAL 40 HG21 VAL 40 -13.898 0.036 -21.942 310 HG22 VAL 40 HG22 VAL 40 -14.329 -0.896 -20.507 311 HG23 VAL 40 HG23 VAL 40 -14.914 -1.398 -22.094 312 H CYS 41 HN CYS 41 -11.579 -4.315 -24.063 313 HA CYS 41 HA CYS 41 -14.103 -5.805 -24.324 314 HB2 CYS 41 HB2 CYS 41 -12.672 -5.818 -26.297 315 HB3 CYS 41 HB1 CYS 41 -11.311 -6.399 -25.340 316 HG CYS 41 HG CYS 41 -13.877 -8.103 -25.898 317 H ILE 42 HN ILE 42 -14.677 -6.947 -22.583 318 HA ILE 42 HA ILE 42 -12.544 -8.335 -21.079 319 HB ILE 42 HB ILE 42 -13.451 -6.362 -19.853 320 HG12 ILE 42 HG12 ILE 42 -13.676 -9.191 -18.903 321 HG13 ILE 42 HG11 ILE 42 -12.603 -7.906 -18.348 322 HG21 ILE 42 HG21 ILE 42 -15.731 -6.319 -19.132 323 HG22 ILE 42 HG22 ILE 42 -16.013 -7.964 -19.703 324 HG23 ILE 42 HG23 ILE 42 -15.776 -6.656 -20.863 325 HD11 ILE 42 HD11 ILE 42 -14.739 -6.762 -17.456 326 HD12 ILE 42 HD12 ILE 42 -14.151 -8.172 -16.575 327 HD13 ILE 42 HD13 ILE 42 -15.516 -8.329 -17.681 328 H GLU 43 HN GLU 43 -12.822 -10.444 -20.785 329 HA GLU 43 HA GLU 43 -15.474 -11.604 -21.396 330 HB2 GLU 43 HB2 GLU 43 -13.821 -13.734 -21.508 331 HB3 GLU 43 HB1 GLU 43 -14.163 -12.722 -22.911 332 HG2 GLU 43 HG2 GLU 43 -12.142 -11.521 -22.683 333 HG3 GLU 43 HG1 GLU 43 -11.905 -12.070 -21.025 334 H SER 44 HN SER 44 -16.529 -12.160 -19.585 335 HA SER 44 HA SER 44 -14.919 -13.108 -17.292 336 HB2 SER 44 HB2 SER 44 -16.144 -10.827 -17.132 337 HB3 SER 44 HB1 SER 44 -17.604 -11.800 -16.979 338 HG SER 44 HG SER 44 -16.891 -12.596 -15.103 339 H GLU 45 HN GLU 45 -16.108 -14.478 -15.771 340 HA GLU 45 HA GLU 45 -17.442 -16.621 -17.170 341 HB2 GLU 45 HB2 GLU 45 -16.595 -16.154 -14.312 342 HB3 GLU 45 HB1 GLU 45 -17.502 -17.584 -14.802 343 HG2 GLU 45 HG2 GLU 45 -14.990 -16.774 -16.258 344 HG3 GLU 45 HG1 GLU 45 -14.909 -17.738 -14.784 345 H HIS 46 HN HIS 46 -18.307 -13.901 -15.204 346 HA HIS 46 HA HIS 46 -21.111 -14.834 -15.104 347 HB2 HIS 46 HB2 HIS 46 -19.384 -13.576 -13.131 348 HB3 HIS 46 HB1 HIS 46 -20.857 -12.640 -13.389 349 HD1 HIS 46 HD1 HIS 46 -19.628 -15.947 -12.126 350 HD2 HIS 46 HD2 HIS 46 -23.270 -13.990 -12.657 351 HE1 HIS 46 HE1 HIS 46 -21.362 -17.306 -10.877 352 H SER 47 HN SER 47 -19.048 -11.987 -15.534 353 HA SER 47 HA SER 47 -19.413 -9.971 -16.580 354 HB2 SER 47 HB2 SER 47 -19.687 -10.258 -18.812 355 HB3 SER 47 HB1 SER 47 -19.600 -11.968 -18.404 356 HG SER 47 HG SER 47 -21.928 -10.365 -18.699 357 H MET 48 HN MET 48 -21.073 -8.420 -17.406 358 HA MET 48 HA MET 48 -23.067 -7.293 -17.212 359 HB2 MET 48 HB2 MET 48 -24.009 -9.578 -17.893 360 HB3 MET 48 HB1 MET 48 -24.322 -9.831 -16.175 361 HG2 MET 48 HG2 MET 48 -25.278 -7.248 -16.705 362 HG3 MET 48 HG1 MET 48 -25.800 -8.218 -18.082 363 HE1 MET 48 HE1 MET 48 -28.158 -7.643 -14.632 364 HE2 MET 48 HE2 MET 48 -27.181 -6.663 -15.721 365 HE3 MET 48 HE3 MET 48 -26.440 -7.386 -14.296 366 H ASP 49 HN ASP 49 -21.458 -6.652 -15.333 367 HA ASP 49 HA ASP 49 -22.831 -5.679 -13.211 368 HB2 ASP 49 HB2 ASP 49 -22.389 -8.560 -12.886 369 HB3 ASP 49 HB1 ASP 49 -21.805 -7.603 -11.527 370 H THR 50 HN THR 50 -19.889 -7.459 -14.006 371 HA THR 50 HA THR 50 -18.236 -5.935 -12.198 372 HB THR 50 HB THR 50 -17.417 -8.095 -12.565 373 HG1 THR 50 HG1 THR 50 -15.932 -6.987 -14.616 374 HG21 THR 50 HG21 THR 50 -18.443 -7.635 -15.312 375 HG22 THR 50 HG22 THR 50 -18.488 -9.096 -14.323 376 HG23 THR 50 HG23 THR 50 -17.012 -8.658 -15.185 377 H LEU 51 HN LEU 51 -19.070 -5.845 -15.610 378 HA LEU 51 HA LEU 51 -17.037 -4.087 -16.476 379 HB2 LEU 51 HB2 LEU 51 -19.677 -3.952 -17.813 380 HB3 LEU 51 HB1 LEU 51 -18.070 -4.195 -18.499 381 HG LEU 51 HG LEU 51 -18.228 -6.489 -17.162 382 HD11 LEU 51 HD11 LEU 51 -20.726 -5.457 -16.613 383 HD12 LEU 51 HD12 LEU 51 -20.301 -7.165 -16.531 384 HD13 LEU 51 HD13 LEU 51 -21.050 -6.512 -17.987 385 HD21 LEU 51 HD21 LEU 51 -18.966 -7.549 -19.214 386 HD22 LEU 51 HD22 LEU 51 -17.982 -6.150 -19.639 387 HD23 LEU 51 HD23 LEU 51 -19.738 -6.061 -19.755 388 H LEU 52 HN LEU 52 -20.423 -3.384 -15.548 389 HA LEU 52 HA LEU 52 -20.221 -0.592 -15.964 390 HB2 LEU 52 HB2 LEU 52 -22.281 -0.618 -14.371 391 HB3 LEU 52 HB1 LEU 52 -22.405 -1.367 -15.961 392 HG LEU 52 HG LEU 52 -21.415 -3.093 -13.751 393 HD11 LEU 52 HD11 LEU 52 -23.921 -3.562 -13.238 394 HD12 LEU 52 HD12 LEU 52 -24.199 -1.953 -13.904 395 HD13 LEU 52 HD13 LEU 52 -23.166 -2.155 -12.489 396 HD21 LEU 52 HD21 LEU 52 -22.159 -4.753 -15.121 397 HD22 LEU 52 HD22 LEU 52 -22.133 -3.494 -16.353 398 HD23 LEU 52 HD23 LEU 52 -23.641 -3.891 -15.528 399 H ALA 53 HN ALA 53 -19.912 -2.536 -12.989 400 HA ALA 53 HA ALA 53 -19.787 -0.444 -11.157 401 HB1 ALA 53 HB1 ALA 53 -19.918 -2.491 -10.120 402 HB2 ALA 53 HB2 ALA 53 -18.196 -2.165 -9.929 403 HB3 ALA 53 HB3 ALA 53 -18.753 -3.241 -11.211 404 H THR 54 HN THR 54 -17.093 -1.995 -12.909 405 HA THR 54 HA THR 54 -15.084 -0.359 -11.733 406 HB THR 54 HB THR 54 -15.026 -1.924 -14.319 407 HG1 THR 54 HG1 THR 54 -15.445 -3.177 -12.472 408 HG21 THR 54 HG21 THR 54 -13.202 -0.041 -13.311 409 HG22 THR 54 HG22 THR 54 -12.896 -1.233 -14.573 410 HG23 THR 54 HG23 THR 54 -12.520 -1.611 -12.893 411 H LEU 55 HN LEU 55 -16.709 -0.217 -14.906 412 HA LEU 55 HA LEU 55 -15.292 2.029 -15.860 413 HB2 LEU 55 HB2 LEU 55 -17.863 0.678 -16.571 414 HB3 LEU 55 HB1 LEU 55 -17.499 2.252 -17.278 415 HG LEU 55 HG LEU 55 -15.507 1.451 -18.302 416 HD11 LEU 55 HD11 LEU 55 -14.865 -1.036 -17.834 417 HD12 LEU 55 HD12 LEU 55 -15.826 -0.837 -16.369 418 HD13 LEU 55 HD13 LEU 55 -14.416 0.187 -16.646 419 HD21 LEU 55 HD21 LEU 55 -17.885 0.514 -19.058 420 HD22 LEU 55 HD22 LEU 55 -17.165 -1.026 -18.588 421 HD23 LEU 55 HD23 LEU 55 -16.402 -0.039 -19.836 422 H LYS 56 HN LYS 56 -18.451 1.804 -14.220 423 HA LYS 56 HA LYS 56 -18.887 4.638 -14.249 424 HB2 LYS 56 HB2 LYS 56 -20.874 4.194 -13.092 425 HB3 LYS 56 HB1 LYS 56 -20.631 2.739 -14.060 426 HG2 LYS 56 HG2 LYS 56 -19.381 1.801 -12.008 427 HG3 LYS 56 HG1 LYS 56 -20.120 3.129 -11.111 428 HD2 LYS 56 HD2 LYS 56 -22.283 2.165 -12.465 429 HD3 LYS 56 HD1 LYS 56 -21.361 0.683 -12.217 430 HE2 LYS 56 HE2 LYS 56 -21.116 1.704 -9.755 431 HE3 LYS 56 HE1 LYS 56 -22.634 2.481 -10.206 432 HZ1 LYS 56 HZ1 LYS 56 -23.680 0.451 -10.506 433 HZ2 LYS 56 HZ2 LYS 56 -22.725 0.180 -9.127 434 HZ3 LYS 56 HZ3 LYS 56 -22.224 -0.407 -10.641 435 H LYS 57 HN LYS 57 -16.832 2.700 -12.435 436 HA LYS 57 HA LYS 57 -17.006 3.699 -9.846 437 HB2 LYS 57 HB2 LYS 57 -15.386 1.930 -11.113 438 HB3 LYS 57 HB1 LYS 57 -14.271 3.274 -10.861 439 HG2 LYS 57 HG2 LYS 57 -14.076 2.002 -8.887 440 HG3 LYS 57 HG1 LYS 57 -15.180 3.302 -8.436 441 HD2 LYS 57 HD2 LYS 57 -17.023 1.588 -9.261 442 HD3 LYS 57 HD1 LYS 57 -15.762 0.401 -8.925 443 HE2 LYS 57 HE2 LYS 57 -17.142 0.709 -6.930 444 HE3 LYS 57 HE1 LYS 57 -15.524 1.348 -6.632 445 HZ1 LYS 57 HZ1 LYS 57 -17.108 3.366 -7.769 446 HZ2 LYS 57 HZ2 LYS 57 -16.399 3.322 -6.226 447 HZ3 LYS 57 HZ3 LYS 57 -17.960 2.695 -6.466 448 H THR 58 HN THR 58 -15.031 4.970 -12.555 449 HA THR 58 HA THR 58 -14.252 7.264 -10.953 450 HB THR 58 HB THR 58 -13.620 7.579 -13.737 451 HG1 THR 58 HG1 THR 58 -13.762 5.439 -14.066 452 HG21 THR 58 HG21 THR 58 -11.785 6.723 -11.496 453 HG22 THR 58 HG22 THR 58 -12.417 8.364 -11.614 454 HG23 THR 58 HG23 THR 58 -11.399 7.717 -12.899 455 H GLY 59 HN GLY 59 -17.014 6.478 -12.546 456 HA2 GLY 59 HA2 GLY 59 -18.882 7.880 -12.804 457 HA3 GLY 59 HA1 GLY 59 -17.817 9.279 -12.728 458 H ALA 60 HN ALA 60 -16.748 6.800 -14.818 459 HA ALA 60 HA ALA 60 -17.054 8.492 -17.125 460 HB1 ALA 60 HB1 ALA 60 -15.091 7.019 -16.832 461 HB2 ALA 60 HB2 ALA 60 -15.949 6.668 -18.333 462 HB3 ALA 60 HB3 ALA 60 -16.145 5.609 -16.936 463 H THR 61 HN THR 61 -18.387 8.203 -18.893 464 HA THR 61 HA THR 61 -20.946 7.081 -18.424 465 HB THR 61 HB THR 61 -20.913 8.844 -19.973 466 HG1 THR 61 HG1 THR 61 -22.072 7.863 -21.413 467 HG21 THR 61 HG21 THR 61 -19.355 8.205 -22.143 468 HG22 THR 61 HG22 THR 61 -18.404 7.553 -20.809 469 HG23 THR 61 HG23 THR 61 -18.851 9.259 -20.823 470 H VAL 62 HN VAL 62 -21.702 5.078 -18.707 471 HA VAL 62 HA VAL 62 -20.101 3.192 -20.328 472 HB VAL 62 HB VAL 62 -19.824 2.765 -17.902 473 HG11 VAL 62 HG11 VAL 62 -22.519 3.457 -17.792 474 HG12 VAL 62 HG12 VAL 62 -21.574 2.766 -16.472 475 HG13 VAL 62 HG13 VAL 62 -22.524 1.714 -17.521 476 HG21 VAL 62 HG21 VAL 62 -21.572 0.622 -19.125 477 HG22 VAL 62 HG22 VAL 62 -20.193 0.416 -18.045 478 HG23 VAL 62 HG23 VAL 62 -19.940 0.939 -19.711 479 H SER 63 HN SER 63 -21.208 1.944 -21.745 480 HA SER 63 HA SER 63 -24.161 2.026 -21.631 481 HB2 SER 63 HB2 SER 63 -23.579 3.493 -23.422 482 HB3 SER 63 HB1 SER 63 -22.353 2.381 -24.026 483 HG SER 63 HG SER 63 -25.170 2.024 -23.980 484 H TYR 64 HN TYR 64 -25.123 0.094 -21.722 485 HA TYR 64 HA TYR 64 -23.508 -2.290 -21.868 486 HB2 TYR 64 HB2 TYR 64 -25.749 -1.737 -20.511 487 HB3 TYR 64 HB1 TYR 64 -26.475 -2.462 -21.946 488 HD1 TYR 64 HD1 TYR 64 -24.973 -4.612 -22.812 489 HD2 TYR 64 HD2 TYR 64 -25.370 -3.223 -18.766 490 HE1 TYR 64 HE1 TYR 64 -24.368 -6.868 -21.977 491 HE2 TYR 64 HE2 TYR 64 -24.764 -5.479 -17.932 492 HH TYR 64 HH TYR 64 -24.213 -8.180 -20.181 493 H LEU 65 HN LEU 65 -22.875 -3.126 -23.739 494 HA LEU 65 HA LEU 65 -24.282 -2.555 -26.207 495 HB2 LEU 65 HB2 LEU 65 -21.773 -4.071 -25.510 496 HB3 LEU 65 HB1 LEU 65 -22.462 -4.132 -27.131 497 HG LEU 65 HG LEU 65 -20.755 -2.360 -26.967 498 HD11 LEU 65 HD11 LEU 65 -23.206 -2.155 -28.123 499 HD12 LEU 65 HD12 LEU 65 -21.958 -0.918 -28.265 500 HD13 LEU 65 HD13 LEU 65 -23.237 -0.743 -27.064 501 HD21 LEU 65 HD21 LEU 65 -21.606 -2.017 -24.420 502 HD22 LEU 65 HD22 LEU 65 -22.473 -0.698 -25.204 503 HD23 LEU 65 HD23 LEU 65 -20.715 -0.780 -25.308 504 H GLY 66 HN GLY 66 -23.460 -5.471 -24.332 505 HA2 GLY 66 HA2 GLY 66 -25.681 -6.880 -24.203 506 HA3 GLY 66 HA1 GLY 66 -25.347 -7.048 -25.924 507 H LEU 67 HN LEU 67 -24.782 -9.162 -26.076 508 HA LEU 67 HA LEU 67 -22.281 -9.957 -24.765 509 HB2 LEU 67 HB2 LEU 67 -24.848 -10.915 -23.956 510 HB3 LEU 67 HB1 LEU 67 -23.994 -12.238 -24.751 511 HG LEU 67 HG LEU 67 -22.654 -10.514 -22.663 512 HD11 LEU 67 HD11 LEU 67 -24.613 -12.739 -22.344 513 HD12 LEU 67 HD12 LEU 67 -24.275 -11.377 -21.276 514 HD13 LEU 67 HD13 LEU 67 -23.192 -12.769 -21.300 515 HD21 LEU 67 HD21 LEU 67 -21.884 -13.301 -22.808 516 HD22 LEU 67 HD22 LEU 67 -20.894 -11.865 -23.074 517 HD23 LEU 67 HD23 LEU 67 -21.802 -12.570 -24.411 518 H GLU 68 HN GLU 68 -21.140 -11.589 -25.878 519 HA GLU 68 HA GLU 68 -22.210 -12.839 -28.234 520 HB2 GLU 68 HB2 GLU 68 -21.775 -10.482 -29.008 521 HB3 GLU 68 HB1 GLU 68 -20.065 -10.752 -28.668 522 HG2 GLU 68 HG2 GLU 68 -20.579 -11.188 -31.045 523 HG3 GLU 68 HG1 GLU 68 -20.049 -12.657 -30.227 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -16.129 -20.453 -21.315 2 H2 MET 1 HT2 MET 1 -17.360 -19.787 -22.277 3 H3 MET 1 HT3 MET 1 -17.622 -20.049 -20.619 4 HA MET 1 HA MET 1 -16.702 -18.126 -20.040 5 HB2 MET 1 HB2 MET 1 -14.591 -18.504 -22.176 6 HB3 MET 1 HB1 MET 1 -14.500 -17.474 -20.748 7 HG2 MET 1 HG2 MET 1 -15.111 -20.081 -19.820 8 HG3 MET 1 HG1 MET 1 -13.813 -20.258 -21.000 9 HE1 MET 1 HE1 MET 1 -11.751 -20.667 -20.052 10 HE2 MET 1 HE2 MET 1 -12.619 -21.225 -18.623 11 HE3 MET 1 HE3 MET 1 -11.202 -20.195 -18.438 12 HA PRO 2 HA PRO 2 -18.805 -16.165 -23.581 13 HB2 PRO 2 HB2 PRO 2 -20.468 -14.601 -22.088 14 HB3 PRO 2 HB1 PRO 2 -20.814 -16.299 -22.463 15 HG2 PRO 2 HG2 PRO 2 -19.853 -15.077 -19.949 16 HG3 PRO 2 HG1 PRO 2 -20.869 -16.504 -20.202 17 HD2 PRO 2 HD2 PRO 2 -18.132 -16.541 -19.591 18 HD3 PRO 2 HD1 PRO 2 -19.066 -17.908 -20.236 19 H LYS 3 HN LYS 3 -18.187 -14.318 -24.583 20 HA LYS 3 HA LYS 3 -16.368 -12.527 -23.181 21 HB2 LYS 3 HB2 LYS 3 -17.218 -12.078 -26.012 22 HB3 LYS 3 HB1 LYS 3 -15.632 -11.866 -25.268 23 HG2 LYS 3 HG2 LYS 3 -16.027 -14.558 -24.938 24 HG3 LYS 3 HG1 LYS 3 -16.833 -14.272 -26.481 25 HD2 LYS 3 HD2 LYS 3 -14.845 -13.291 -27.424 26 HD3 LYS 3 HD1 LYS 3 -14.037 -13.290 -25.857 27 HE2 LYS 3 HE2 LYS 3 -13.431 -15.463 -26.047 28 HE3 LYS 3 HE1 LYS 3 -15.024 -15.938 -26.637 29 HZ1 LYS 3 HZ1 LYS 3 -12.961 -14.571 -28.275 30 HZ2 LYS 3 HZ2 LYS 3 -14.457 -15.168 -28.818 31 HZ3 LYS 3 HZ3 LYS 3 -13.249 -16.241 -28.292 32 H HIS 4 HN HIS 4 -16.759 -10.410 -22.678 33 HA HIS 4 HA HIS 4 -19.454 -9.369 -23.322 34 HB2 HIS 4 HB2 HIS 4 -18.833 -10.089 -20.848 35 HB3 HIS 4 HB1 HIS 4 -18.047 -8.510 -20.831 36 HD1 HIS 4 HD1 HIS 4 -20.448 -8.769 -19.034 37 HD2 HIS 4 HD2 HIS 4 -20.796 -7.653 -23.035 38 HE1 HIS 4 HE1 HIS 4 -22.658 -7.549 -19.248 39 H GLU 5 HN GLU 5 -19.463 -7.492 -24.379 40 HA GLU 5 HA GLU 5 -16.962 -5.922 -24.453 41 HB2 GLU 5 HB2 GLU 5 -19.180 -6.328 -26.443 42 HB3 GLU 5 HB1 GLU 5 -18.124 -4.919 -26.545 43 HG2 GLU 5 HG2 GLU 5 -16.150 -6.419 -26.577 44 HG3 GLU 5 HG1 GLU 5 -17.226 -7.814 -26.533 45 H PHE 6 HN PHE 6 -16.951 -3.844 -23.786 46 HA PHE 6 HA PHE 6 -19.528 -2.523 -23.237 47 HB2 PHE 6 HB2 PHE 6 -17.641 -3.493 -21.273 48 HB3 PHE 6 HB1 PHE 6 -17.772 -1.737 -21.177 49 HD1 PHE 6 HD2 PHE 6 -19.804 -4.870 -21.290 50 HD2 PHE 6 HD1 PHE 6 -19.664 -0.719 -20.202 51 HE1 PHE 6 HE2 PHE 6 -21.991 -5.098 -20.144 52 HE2 PHE 6 HE1 PHE 6 -21.853 -0.945 -19.056 53 HZ PHE 6 HZ PHE 6 -23.016 -3.135 -19.028 54 H SER 7 HN SER 7 -19.551 -0.350 -23.621 55 HA SER 7 HA SER 7 -17.061 0.818 -24.701 56 HB2 SER 7 HB2 SER 7 -18.352 1.466 -26.417 57 HB3 SER 7 HB1 SER 7 -19.775 0.787 -25.633 58 HG SER 7 HG SER 7 -20.268 2.707 -24.842 59 H VAL 8 HN VAL 8 -16.052 2.208 -23.396 60 HA VAL 8 HA VAL 8 -17.698 3.921 -21.639 61 HB VAL 8 HB VAL 8 -15.112 2.541 -20.887 62 HG11 VAL 8 HG11 VAL 8 -15.452 4.867 -19.961 63 HG12 VAL 8 HG12 VAL 8 -15.373 3.605 -18.732 64 HG13 VAL 8 HG13 VAL 8 -16.933 4.283 -19.201 65 HG21 VAL 8 HG21 VAL 8 -17.935 1.835 -20.640 66 HG22 VAL 8 HG22 VAL 8 -17.135 1.910 -19.070 67 HG23 VAL 8 HG23 VAL 8 -16.505 0.849 -20.330 68 H ASP 9 HN ASP 9 -17.264 6.023 -21.796 69 HA ASP 9 HA ASP 9 -15.036 6.899 -23.462 70 HB2 ASP 9 HB2 ASP 9 -17.576 8.041 -22.508 71 HB3 ASP 9 HB1 ASP 9 -16.235 9.183 -22.530 72 H MET 10 HN MET 10 -13.100 7.327 -22.589 73 HA MET 10 HA MET 10 -12.658 7.333 -19.791 74 HB2 MET 10 HB2 MET 10 -11.033 7.731 -22.226 75 HB3 MET 10 HB1 MET 10 -10.404 8.482 -20.760 76 HG2 MET 10 HG2 MET 10 -9.557 6.176 -21.007 77 HG3 MET 10 HG1 MET 10 -10.574 6.329 -19.575 78 HE1 MET 10 HE1 MET 10 -9.861 3.650 -22.047 79 HE2 MET 10 HE2 MET 10 -11.014 2.751 -21.065 80 HE3 MET 10 HE3 MET 10 -9.854 3.826 -20.288 81 H THR 11 HN THR 11 -13.189 8.870 -18.417 82 HA THR 11 HA THR 11 -13.128 11.690 -19.306 83 HB THR 11 HB THR 11 -14.649 10.458 -16.992 84 HG1 THR 11 HG1 THR 11 -15.665 11.531 -19.401 85 HG21 THR 11 HG21 THR 11 -14.619 13.247 -18.181 86 HG22 THR 11 HG22 THR 11 -14.068 12.783 -16.570 87 HG23 THR 11 HG23 THR 11 -15.781 12.688 -16.978 88 H CYS 12 HN CYS 12 -12.210 9.396 -16.819 89 HA CYS 12 HA CYS 12 -10.514 11.435 -15.528 90 HB2 CYS 12 HB2 CYS 12 -12.003 9.066 -14.555 91 HB3 CYS 12 HB1 CYS 12 -10.432 9.369 -13.810 92 HG CYS 12 HG CYS 12 -11.642 11.980 -13.690 93 H GLY 13 HN GLY 13 -9.816 10.124 -18.016 94 HA2 GLY 13 HA2 GLY 13 -8.304 8.096 -18.428 95 HA3 GLY 13 HA1 GLY 13 -7.545 9.666 -18.665 96 H GLY 14 HN GLY 14 -6.947 10.620 -16.291 97 HA2 GLY 14 HA2 GLY 14 -4.754 9.062 -15.402 98 HA3 GLY 14 HA1 GLY 14 -5.378 10.505 -14.609 99 H CYS 15 HN CYS 15 -7.865 9.838 -13.837 100 HA CYS 15 HA CYS 15 -7.364 7.993 -11.665 101 HB2 CYS 15 HB2 CYS 15 -9.152 10.167 -12.198 102 HB3 CYS 15 HB1 CYS 15 -10.093 8.753 -11.729 103 HG CYS 15 HG CYS 15 -9.424 9.469 -9.434 104 H ALA 16 HN ALA 16 -9.545 8.131 -14.480 105 HA ALA 16 HA ALA 16 -11.017 5.816 -14.006 106 HB1 ALA 16 HB1 ALA 16 -11.764 7.118 -15.796 107 HB2 ALA 16 HB2 ALA 16 -11.071 5.709 -16.600 108 HB3 ALA 16 HB3 ALA 16 -10.160 7.218 -16.523 109 H GLU 17 HN GLU 17 -7.752 6.187 -15.287 110 HA GLU 17 HA GLU 17 -7.420 3.565 -16.289 111 HB2 GLU 17 HB2 GLU 17 -5.885 5.482 -16.755 112 HB3 GLU 17 HB1 GLU 17 -5.280 5.346 -15.104 113 HG2 GLU 17 HG2 GLU 17 -4.224 3.323 -15.513 114 HG3 GLU 17 HG1 GLU 17 -5.331 2.890 -16.813 115 H ALA 18 HN ALA 18 -6.709 4.976 -13.094 116 HA ALA 18 HA ALA 18 -5.675 2.576 -11.959 117 HB1 ALA 18 HB1 ALA 18 -6.739 5.152 -10.830 118 HB2 ALA 18 HB2 ALA 18 -5.098 4.509 -10.767 119 HB3 ALA 18 HB3 ALA 18 -6.363 3.798 -9.764 120 H VAL 19 HN VAL 19 -8.855 3.883 -12.433 121 HA VAL 19 HA VAL 19 -10.265 2.236 -10.596 122 HB VAL 19 HB VAL 19 -11.003 3.906 -12.968 123 HG11 VAL 19 HG11 VAL 19 -12.754 1.878 -11.565 124 HG12 VAL 19 HG12 VAL 19 -12.429 2.009 -13.293 125 HG13 VAL 19 HG13 VAL 19 -13.402 3.236 -12.484 126 HG21 VAL 19 HG21 VAL 19 -10.793 5.092 -10.902 127 HG22 VAL 19 HG22 VAL 19 -11.655 3.835 -10.016 128 HG23 VAL 19 HG23 VAL 19 -12.525 4.867 -11.148 129 H SER 20 HN SER 20 -9.301 1.884 -13.967 130 HA SER 20 HA SER 20 -10.832 -0.345 -14.669 131 HB2 SER 20 HB2 SER 20 -9.678 -0.183 -16.591 132 HB3 SER 20 HB1 SER 20 -8.837 1.179 -15.860 133 HG SER 20 HG SER 20 -8.025 -1.463 -15.327 134 H ARG 21 HN ARG 21 -7.824 -0.114 -12.851 135 HA ARG 21 HA ARG 21 -7.042 -2.802 -12.877 136 HB2 ARG 21 HB2 ARG 21 -6.793 -0.927 -10.514 137 HB3 ARG 21 HB1 ARG 21 -5.760 -2.304 -10.908 138 HG2 ARG 21 HG2 ARG 21 -5.200 -1.127 -13.084 139 HG3 ARG 21 HG1 ARG 21 -6.024 0.292 -12.441 140 HD2 ARG 21 HD2 ARG 21 -3.351 -0.612 -11.916 141 HD3 ARG 21 HD1 ARG 21 -4.142 0.859 -11.359 142 HE ARG 21 HE ARG 21 -5.046 -1.285 -9.774 143 HH11 ARG 21 HH21 ARG 21 -2.177 0.525 -10.475 144 HH12 ARG 21 HH22 ARG 21 -1.485 0.295 -8.904 145 HH21 ARG 21 HH11 ARG 21 -4.141 -1.591 -7.716 146 HH22 ARG 21 HH12 ARG 21 -2.593 -0.907 -7.345 147 H VAL 22 HN VAL 22 -9.374 -1.086 -10.877 148 HA VAL 22 HA VAL 22 -9.961 -3.075 -8.999 149 HB VAL 22 HB VAL 22 -12.026 -1.217 -10.172 150 HG11 VAL 22 HG11 VAL 22 -13.170 -1.582 -8.225 151 HG12 VAL 22 HG12 VAL 22 -11.697 -1.690 -7.261 152 HG13 VAL 22 HG13 VAL 22 -12.234 -3.076 -8.210 153 HG21 VAL 22 HG21 VAL 22 -10.121 0.194 -9.827 154 HG22 VAL 22 HG22 VAL 22 -9.718 -0.610 -8.309 155 HG23 VAL 22 HG23 VAL 22 -11.153 0.410 -8.414 156 H LEU 23 HN LEU 23 -10.624 -2.907 -12.359 157 HA LEU 23 HA LEU 23 -12.968 -4.421 -12.558 158 HB2 LEU 23 HB2 LEU 23 -11.962 -3.206 -14.453 159 HB3 LEU 23 HB1 LEU 23 -10.605 -4.326 -14.454 160 HG LEU 23 HG LEU 23 -12.487 -4.770 -16.150 161 HD11 LEU 23 HD11 LEU 23 -11.643 -6.856 -16.216 162 HD12 LEU 23 HD12 LEU 23 -12.379 -7.269 -14.668 163 HD13 LEU 23 HD13 LEU 23 -10.800 -6.485 -14.714 164 HD21 LEU 23 HD21 LEU 23 -14.261 -4.367 -14.326 165 HD22 LEU 23 HD22 LEU 23 -13.863 -5.988 -13.758 166 HD23 LEU 23 HD23 LEU 23 -14.504 -5.757 -15.382 167 H ASN 24 HN ASN 24 -9.616 -5.364 -12.097 168 HA ASN 24 HA ASN 24 -9.904 -8.134 -12.595 169 HB2 ASN 24 HB2 ASN 24 -7.740 -6.774 -12.296 170 HB3 ASN 24 HB1 ASN 24 -8.008 -6.960 -10.565 171 HD21 ASN 24 HD21 ASN 24 -6.562 -8.441 -13.250 172 HD22 ASN 24 HD22 ASN 24 -6.400 -10.004 -12.610 173 H LYS 25 HN LYS 25 -10.318 -6.155 -9.692 174 HA LYS 25 HA LYS 25 -10.770 -8.311 -7.898 175 HB2 LYS 25 HB2 LYS 25 -10.163 -6.086 -7.096 176 HB3 LYS 25 HB1 LYS 25 -11.656 -5.421 -7.756 177 HG2 LYS 25 HG2 LYS 25 -12.918 -7.050 -6.284 178 HG3 LYS 25 HG1 LYS 25 -11.381 -7.432 -5.509 179 HD2 LYS 25 HD2 LYS 25 -11.129 -5.243 -4.655 180 HD3 LYS 25 HD1 LYS 25 -12.330 -4.581 -5.761 181 HE2 LYS 25 HE2 LYS 25 -13.873 -6.382 -4.460 182 HE3 LYS 25 HE1 LYS 25 -12.716 -6.008 -3.184 183 HZ1 LYS 25 HZ1 LYS 25 -14.227 -4.354 -2.867 184 HZ2 LYS 25 HZ2 LYS 25 -14.660 -4.264 -4.508 185 HZ3 LYS 25 HZ3 LYS 25 -13.202 -3.575 -3.971 186 H LEU 26 HN LEU 26 -12.962 -6.218 -9.772 187 HA LEU 26 HA LEU 26 -15.336 -7.484 -8.782 188 HB2 LEU 26 HB2 LEU 26 -14.790 -5.147 -10.135 189 HB3 LEU 26 HB1 LEU 26 -15.531 -6.143 -11.385 190 HG LEU 26 HG LEU 26 -17.317 -4.977 -10.302 191 HD11 LEU 26 HD11 LEU 26 -18.685 -6.769 -9.863 192 HD12 LEU 26 HD12 LEU 26 -17.515 -7.540 -8.793 193 HD13 LEU 26 HD13 LEU 26 -17.317 -7.647 -10.543 194 HD21 LEU 26 HD21 LEU 26 -15.679 -4.796 -8.152 195 HD22 LEU 26 HD22 LEU 26 -16.760 -6.077 -7.598 196 HD23 LEU 26 HD23 LEU 26 -17.416 -4.506 -8.061 197 H GLY 27 HN GLY 27 -13.379 -7.749 -11.722 198 HA2 GLY 27 HA2 GLY 27 -15.066 -9.974 -12.646 199 HA3 GLY 27 HA1 GLY 27 -13.913 -9.084 -13.630 200 H GLY 28 HN GLY 28 -11.590 -9.188 -12.307 201 HA2 GLY 28 HA2 GLY 28 -9.781 -10.536 -11.815 202 HA3 GLY 28 HA1 GLY 28 -10.927 -11.696 -11.139 203 H VAL 29 HN VAL 29 -11.114 -10.487 -14.401 204 HA VAL 29 HA VAL 29 -10.230 -13.107 -15.450 205 HB VAL 29 HB VAL 29 -12.000 -12.672 -17.250 206 HG11 VAL 29 HG11 VAL 29 -12.215 -13.726 -14.544 207 HG12 VAL 29 HG12 VAL 29 -12.861 -14.380 -16.050 208 HG13 VAL 29 HG13 VAL 29 -13.776 -13.170 -15.150 209 HG21 VAL 29 HG21 VAL 29 -12.860 -10.725 -15.092 210 HG22 VAL 29 HG22 VAL 29 -13.929 -11.292 -16.375 211 HG23 VAL 29 HG23 VAL 29 -12.493 -10.352 -16.776 212 H LYS 30 HN LYS 30 -10.180 -12.778 -18.019 213 HA LYS 30 HA LYS 30 -7.973 -11.031 -18.489 214 HB2 LYS 30 HB2 LYS 30 -9.193 -13.215 -19.817 215 HB3 LYS 30 HB1 LYS 30 -9.224 -11.860 -20.944 216 HG2 LYS 30 HG2 LYS 30 -6.771 -11.486 -20.378 217 HG3 LYS 30 HG1 LYS 30 -6.815 -13.038 -19.540 218 HD2 LYS 30 HD2 LYS 30 -7.948 -13.758 -21.892 219 HD3 LYS 30 HD1 LYS 30 -6.893 -12.459 -22.451 220 HE2 LYS 30 HE2 LYS 30 -5.128 -13.697 -20.889 221 HE3 LYS 30 HE1 LYS 30 -6.176 -15.080 -21.201 222 HZ1 LYS 30 HZ1 LYS 30 -5.526 -13.487 -23.527 223 HZ2 LYS 30 HZ2 LYS 30 -5.557 -15.176 -23.336 224 HZ3 LYS 30 HZ3 LYS 30 -4.203 -14.284 -22.825 225 H TYR 31 HN TYR 31 -7.941 -8.981 -19.145 226 HA TYR 31 HA TYR 31 -10.367 -7.832 -20.372 227 HB2 TYR 31 HB2 TYR 31 -10.216 -5.860 -19.000 228 HB3 TYR 31 HB1 TYR 31 -10.245 -7.261 -17.930 229 HD1 TYR 31 HD2 TYR 31 -8.138 -8.082 -16.875 230 HD2 TYR 31 HD1 TYR 31 -8.275 -4.449 -19.165 231 HE1 TYR 31 HE2 TYR 31 -5.966 -7.385 -15.901 232 HE2 TYR 31 HE1 TYR 31 -6.102 -3.753 -18.191 233 HH TYR 31 HH TYR 31 -4.122 -4.835 -17.159 234 H ASP 32 HN ASP 32 -9.960 -5.836 -21.566 235 HA ASP 32 HA ASP 32 -7.163 -5.330 -22.293 236 HB2 ASP 32 HB2 ASP 32 -7.912 -7.010 -23.908 237 HB3 ASP 32 HB1 ASP 32 -9.320 -6.026 -24.303 238 H ILE 33 HN ILE 33 -6.776 -3.209 -22.571 239 HA ILE 33 HA ILE 33 -9.106 -1.413 -22.878 240 HB ILE 33 HB ILE 33 -7.262 0.207 -21.783 241 HG12 ILE 33 HG12 ILE 33 -6.763 -2.438 -20.407 242 HG13 ILE 33 HG11 ILE 33 -5.700 -1.832 -21.677 243 HG21 ILE 33 HG21 ILE 33 -8.329 -0.810 -19.517 244 HG22 ILE 33 HG22 ILE 33 -9.410 -1.541 -20.703 245 HG23 ILE 33 HG23 ILE 33 -9.242 0.213 -20.625 246 HD11 ILE 33 HD11 ILE 33 -6.285 -0.589 -18.987 247 HD12 ILE 33 HD12 ILE 33 -5.570 0.337 -20.305 248 HD13 ILE 33 HD13 ILE 33 -4.722 -1.064 -19.651 249 H ASP 34 HN ASP 34 -9.147 -0.482 -24.823 250 HA ASP 34 HA ASP 34 -6.568 0.119 -26.148 251 HB2 ASP 34 HB2 ASP 34 -9.266 -0.450 -27.396 252 HB3 ASP 34 HB1 ASP 34 -7.797 -0.038 -28.279 253 H LEU 35 HN LEU 35 -6.218 2.202 -25.537 254 HA LEU 35 HA LEU 35 -8.185 4.187 -25.198 255 HB2 LEU 35 HB2 LEU 35 -5.421 4.004 -24.872 256 HB3 LEU 35 HB1 LEU 35 -5.638 5.255 -26.095 257 HG LEU 35 HG LEU 35 -7.461 6.202 -24.519 258 HD11 LEU 35 HD11 LEU 35 -5.911 4.442 -22.594 259 HD12 LEU 35 HD12 LEU 35 -7.597 4.218 -23.060 260 HD13 LEU 35 HD13 LEU 35 -7.120 5.642 -22.136 261 HD21 LEU 35 HD21 LEU 35 -5.896 7.674 -23.659 262 HD22 LEU 35 HD22 LEU 35 -4.901 6.898 -24.890 263 HD23 LEU 35 HD23 LEU 35 -4.780 6.387 -23.207 264 HA PRO 36 HA PRO 36 -6.818 5.508 -29.737 265 HB2 PRO 36 HB2 PRO 36 -6.444 2.772 -30.836 266 HB3 PRO 36 HB1 PRO 36 -5.511 4.249 -31.139 267 HG2 PRO 36 HG2 PRO 36 -4.561 2.268 -29.622 268 HG3 PRO 36 HG1 PRO 36 -4.208 3.970 -29.275 269 HD2 PRO 36 HD2 PRO 36 -6.091 2.112 -27.877 270 HD3 PRO 36 HD1 PRO 36 -5.116 3.443 -27.215 271 H ASN 37 HN ASN 37 -8.627 2.594 -28.947 272 HA ASN 37 HA ASN 37 -10.618 3.247 -31.022 273 HB2 ASN 37 HB2 ASN 37 -9.741 0.752 -29.690 274 HB3 ASN 37 HB1 ASN 37 -11.468 0.886 -30.018 275 HD21 ASN 37 HD21 ASN 37 -8.457 1.787 -31.811 276 HD22 ASN 37 HD22 ASN 37 -8.953 1.083 -33.273 277 H LYS 38 HN LYS 38 -10.028 3.614 -27.730 278 HA LYS 38 HA LYS 38 -11.334 4.190 -25.926 279 HB2 LYS 38 HB2 LYS 38 -13.364 5.105 -27.964 280 HB3 LYS 38 HB1 LYS 38 -13.074 5.751 -26.350 281 HG2 LYS 38 HG2 LYS 38 -11.397 7.086 -27.068 282 HG3 LYS 38 HG1 LYS 38 -10.671 5.797 -28.026 283 HD2 LYS 38 HD2 LYS 38 -12.232 6.182 -29.840 284 HD3 LYS 38 HD1 LYS 38 -13.132 7.348 -28.870 285 HE2 LYS 38 HE2 LYS 38 -11.281 8.888 -28.857 286 HE3 LYS 38 HE1 LYS 38 -10.209 7.691 -29.582 287 HZ1 LYS 38 HZ1 LYS 38 -11.281 7.841 -31.616 288 HZ2 LYS 38 HZ2 LYS 38 -11.250 9.456 -31.087 289 HZ3 LYS 38 HZ3 LYS 38 -12.677 8.543 -30.956 290 H LYS 39 HN LYS 39 -11.566 1.512 -26.816 291 HA LYS 39 HA LYS 39 -14.361 0.950 -26.040 292 HB2 LYS 39 HB2 LYS 39 -13.197 0.343 -28.505 293 HB3 LYS 39 HB1 LYS 39 -13.144 -1.173 -27.606 294 HG2 LYS 39 HG2 LYS 39 -15.611 -0.618 -26.977 295 HG3 LYS 39 HG1 LYS 39 -15.540 0.494 -28.344 296 HD2 LYS 39 HD2 LYS 39 -15.918 -1.232 -29.736 297 HD3 LYS 39 HD1 LYS 39 -14.391 -1.950 -29.223 298 HE2 LYS 39 HE2 LYS 39 -15.502 -3.088 -27.373 299 HE3 LYS 39 HE1 LYS 39 -17.027 -2.295 -27.763 300 HZ1 LYS 39 HZ1 LYS 39 -16.678 -3.356 -30.060 301 HZ2 LYS 39 HZ2 LYS 39 -17.225 -4.338 -28.786 302 HZ3 LYS 39 HZ3 LYS 39 -15.594 -4.389 -29.261 303 H VAL 40 HN VAL 40 -14.676 -0.939 -24.783 304 HA VAL 40 HA VAL 40 -12.205 -2.012 -23.564 305 HB VAL 40 HB VAL 40 -14.835 -1.488 -22.161 306 HG11 VAL 40 HG11 VAL 40 -13.548 -3.385 -21.254 307 HG12 VAL 40 HG12 VAL 40 -13.519 -2.021 -20.136 308 HG13 VAL 40 HG13 VAL 40 -12.114 -2.364 -21.144 309 HG21 VAL 40 HG21 VAL 40 -13.988 0.511 -21.396 310 HG22 VAL 40 HG22 VAL 40 -13.126 0.448 -22.934 311 HG23 VAL 40 HG23 VAL 40 -12.319 -0.057 -21.450 312 H CYS 41 HN CYS 41 -11.989 -4.116 -23.894 313 HA CYS 41 HA CYS 41 -14.426 -5.737 -24.317 314 HB2 CYS 41 HB2 CYS 41 -12.888 -5.591 -26.278 315 HB3 CYS 41 HB1 CYS 41 -11.616 -6.311 -25.291 316 HG CYS 41 HG CYS 41 -14.171 -7.998 -25.358 317 H ILE 42 HN ILE 42 -14.904 -6.892 -22.564 318 HA ILE 42 HA ILE 42 -12.668 -8.097 -21.051 319 HB ILE 42 HB ILE 42 -13.421 -6.485 -19.548 320 HG12 ILE 42 HG12 ILE 42 -15.303 -8.797 -18.985 321 HG13 ILE 42 HG11 ILE 42 -13.573 -8.848 -18.646 322 HG21 ILE 42 HG21 ILE 42 -15.849 -5.978 -19.233 323 HG22 ILE 42 HG22 ILE 42 -16.219 -7.102 -20.541 324 HG23 ILE 42 HG23 ILE 42 -15.287 -5.641 -20.870 325 HD11 ILE 42 HD11 ILE 42 -15.628 -7.776 -17.010 326 HD12 ILE 42 HD12 ILE 42 -14.673 -6.409 -17.587 327 HD13 ILE 42 HD13 ILE 42 -13.889 -7.730 -16.721 328 H GLU 43 HN GLU 43 -12.811 -10.211 -20.641 329 HA GLU 43 HA GLU 43 -15.324 -11.584 -21.373 330 HB2 GLU 43 HB2 GLU 43 -13.573 -12.389 -22.783 331 HB3 GLU 43 HB1 GLU 43 -12.436 -12.480 -21.437 332 HG2 GLU 43 HG2 GLU 43 -13.501 -14.363 -20.506 333 HG3 GLU 43 HG1 GLU 43 -14.983 -14.089 -21.420 334 H SER 44 HN SER 44 -16.468 -12.146 -19.605 335 HA SER 44 HA SER 44 -14.953 -13.027 -17.228 336 HB2 SER 44 HB2 SER 44 -16.181 -11.698 -15.795 337 HB3 SER 44 HB1 SER 44 -16.089 -10.652 -17.209 338 HG SER 44 HG SER 44 -18.163 -12.473 -17.216 339 H GLU 45 HN GLU 45 -16.254 -14.279 -15.690 340 HA GLU 45 HA GLU 45 -17.702 -16.355 -17.070 341 HB2 GLU 45 HB2 GLU 45 -17.280 -16.034 -14.095 342 HB3 GLU 45 HB1 GLU 45 -17.612 -17.516 -14.983 343 HG2 GLU 45 HG2 GLU 45 -15.448 -17.742 -15.693 344 HG3 GLU 45 HG1 GLU 45 -15.212 -16.004 -15.860 345 H HIS 46 HN HIS 46 -18.458 -13.499 -15.277 346 HA HIS 46 HA HIS 46 -21.255 -14.363 -14.927 347 HB2 HIS 46 HB2 HIS 46 -19.534 -12.296 -13.606 348 HB3 HIS 46 HB1 HIS 46 -21.287 -12.107 -13.595 349 HD1 HIS 46 HD1 HIS 46 -22.587 -13.510 -11.951 350 HD2 HIS 46 HD2 HIS 46 -18.650 -14.820 -12.363 351 HE1 HIS 46 HE1 HIS 46 -22.234 -15.289 -10.184 352 H SER 47 HN SER 47 -19.388 -11.516 -15.949 353 HA SER 47 HA SER 47 -19.798 -9.898 -17.522 354 HB2 SER 47 HB2 SER 47 -21.465 -12.162 -18.606 355 HB3 SER 47 HB1 SER 47 -21.387 -10.598 -19.411 356 HG SER 47 HG SER 47 -19.060 -10.872 -19.355 357 H MET 48 HN MET 48 -20.919 -8.084 -17.280 358 HA MET 48 HA MET 48 -22.785 -6.697 -17.145 359 HB2 MET 48 HB2 MET 48 -24.021 -8.957 -17.905 360 HB3 MET 48 HB1 MET 48 -24.621 -8.852 -16.249 361 HG2 MET 48 HG2 MET 48 -25.282 -6.473 -16.705 362 HG3 MET 48 HG1 MET 48 -24.830 -6.718 -18.392 363 HE1 MET 48 HE1 MET 48 -25.549 -8.942 -19.602 364 HE2 MET 48 HE2 MET 48 -26.467 -7.546 -20.162 365 HE3 MET 48 HE3 MET 48 -27.292 -9.077 -19.879 366 H ASP 49 HN ASP 49 -21.128 -6.503 -15.224 367 HA ASP 49 HA ASP 49 -22.482 -5.704 -12.959 368 HB2 ASP 49 HB2 ASP 49 -21.719 -7.607 -11.385 369 HB3 ASP 49 HB1 ASP 49 -23.160 -7.874 -12.364 370 H THR 50 HN THR 50 -19.572 -7.393 -14.031 371 HA THR 50 HA THR 50 -17.864 -6.074 -12.123 372 HB THR 50 HB THR 50 -17.062 -8.180 -12.702 373 HG1 THR 50 HG1 THR 50 -15.599 -7.094 -14.722 374 HG21 THR 50 HG21 THR 50 -16.794 -8.650 -15.308 375 HG22 THR 50 HG22 THR 50 -18.104 -7.473 -15.414 376 HG23 THR 50 HG23 THR 50 -18.322 -8.953 -14.481 377 H LEU 51 HN LEU 51 -18.673 -5.675 -15.533 378 HA LEU 51 HA LEU 51 -16.639 -3.831 -16.184 379 HB2 LEU 51 HB2 LEU 51 -19.198 -3.521 -17.610 380 HB3 LEU 51 HB1 LEU 51 -17.572 -3.803 -18.233 381 HG LEU 51 HG LEU 51 -17.875 -6.190 -17.177 382 HD11 LEU 51 HD11 LEU 51 -19.947 -6.812 -16.498 383 HD12 LEU 51 HD12 LEU 51 -20.725 -6.006 -17.859 384 HD13 LEU 51 HD13 LEU 51 -20.293 -5.083 -16.420 385 HD21 LEU 51 HD21 LEU 51 -18.255 -5.131 -19.751 386 HD22 LEU 51 HD22 LEU 51 -19.669 -6.146 -19.476 387 HD23 LEU 51 HD23 LEU 51 -18.051 -6.833 -19.339 388 H LEU 52 HN LEU 52 -20.083 -3.180 -15.437 389 HA LEU 52 HA LEU 52 -19.838 -0.379 -15.574 390 HB2 LEU 52 HB2 LEU 52 -22.006 -0.462 -14.202 391 HB3 LEU 52 HB1 LEU 52 -22.008 -1.223 -15.791 392 HG LEU 52 HG LEU 52 -21.139 -2.999 -13.612 393 HD11 LEU 52 HD11 LEU 52 -22.927 -1.578 -12.523 394 HD12 LEU 52 HD12 LEU 52 -23.313 -3.296 -12.619 395 HD13 LEU 52 HD13 LEU 52 -24.044 -2.164 -13.755 396 HD21 LEU 52 HD21 LEU 52 -23.432 -3.445 -15.491 397 HD22 LEU 52 HD22 LEU 52 -22.238 -4.595 -14.892 398 HD23 LEU 52 HD23 LEU 52 -21.786 -3.421 -16.126 399 H ALA 53 HN ALA 53 -19.778 -2.523 -12.699 400 HA ALA 53 HA ALA 53 -19.728 -0.514 -10.768 401 HB1 ALA 53 HB1 ALA 53 -19.322 -2.191 -9.278 402 HB2 ALA 53 HB2 ALA 53 -18.038 -2.895 -10.261 403 HB3 ALA 53 HB3 ALA 53 -19.726 -3.207 -10.663 404 H THR 54 HN THR 54 -16.984 -2.111 -12.381 405 HA THR 54 HA THR 54 -15.017 -0.543 -11.038 406 HB THR 54 HB THR 54 -14.944 -2.249 -13.524 407 HG1 THR 54 HG1 THR 54 -13.314 -3.034 -11.638 408 HG21 THR 54 HG21 THR 54 -12.331 -1.862 -12.735 409 HG22 THR 54 HG22 THR 54 -13.027 -0.258 -12.533 410 HG23 THR 54 HG23 THR 54 -13.104 -1.060 -14.101 411 H LEU 55 HN LEU 55 -16.338 -0.415 -14.349 412 HA LEU 55 HA LEU 55 -14.882 1.857 -15.147 413 HB2 LEU 55 HB2 LEU 55 -17.439 0.609 -16.141 414 HB3 LEU 55 HB1 LEU 55 -16.719 2.023 -16.906 415 HG LEU 55 HG LEU 55 -15.002 -0.375 -16.363 416 HD11 LEU 55 HD11 LEU 55 -15.747 -0.764 -18.955 417 HD12 LEU 55 HD12 LEU 55 -17.268 -0.204 -18.259 418 HD13 LEU 55 HD13 LEU 55 -16.463 -1.624 -17.591 419 HD21 LEU 55 HD21 LEU 55 -13.629 0.552 -18.003 420 HD22 LEU 55 HD22 LEU 55 -14.336 2.006 -17.298 421 HD23 LEU 55 HD23 LEU 55 -14.970 1.362 -18.813 422 H LYS 56 HN LYS 56 -18.179 1.551 -13.819 423 HA LYS 56 HA LYS 56 -18.720 4.355 -13.979 424 HB2 LYS 56 HB2 LYS 56 -20.775 3.869 -13.021 425 HB3 LYS 56 HB1 LYS 56 -20.365 2.321 -13.757 426 HG2 LYS 56 HG2 LYS 56 -19.264 1.750 -11.490 427 HG3 LYS 56 HG1 LYS 56 -20.168 3.126 -10.856 428 HD2 LYS 56 HD2 LYS 56 -21.431 0.820 -12.363 429 HD3 LYS 56 HD1 LYS 56 -21.376 0.938 -10.605 430 HE2 LYS 56 HE2 LYS 56 -22.437 3.305 -11.000 431 HE3 LYS 56 HE1 LYS 56 -22.894 2.636 -12.566 432 HZ1 LYS 56 HZ1 LYS 56 -24.512 2.365 -10.633 433 HZ2 LYS 56 HZ2 LYS 56 -23.442 1.177 -10.058 434 HZ3 LYS 56 HZ3 LYS 56 -24.182 0.995 -11.577 435 H LYS 57 HN LYS 57 -16.666 2.617 -12.001 436 HA LYS 57 HA LYS 57 -17.043 3.757 -9.468 437 HB2 LYS 57 HB2 LYS 57 -15.364 1.897 -10.393 438 HB3 LYS 57 HB1 LYS 57 -14.256 3.270 -10.387 439 HG2 LYS 57 HG2 LYS 57 -15.296 3.673 -7.981 440 HG3 LYS 57 HG1 LYS 57 -15.651 1.949 -8.090 441 HD2 LYS 57 HD2 LYS 57 -13.165 1.715 -8.826 442 HD3 LYS 57 HD1 LYS 57 -12.970 3.322 -8.126 443 HE2 LYS 57 HE2 LYS 57 -14.435 1.956 -6.201 444 HE3 LYS 57 HE1 LYS 57 -13.296 0.744 -6.786 445 HZ1 LYS 57 HZ1 LYS 57 -12.076 3.303 -6.426 446 HZ2 LYS 57 HZ2 LYS 57 -11.609 1.787 -5.819 447 HZ3 LYS 57 HZ3 LYS 57 -12.758 2.720 -4.987 448 H THR 58 HN THR 58 -15.146 4.930 -12.252 449 HA THR 58 HA THR 58 -14.304 7.289 -10.784 450 HB THR 58 HB THR 58 -13.884 7.459 -13.640 451 HG1 THR 58 HG1 THR 58 -14.015 5.234 -13.637 452 HG21 THR 58 HG21 THR 58 -12.574 8.560 -11.814 453 HG22 THR 58 HG22 THR 58 -11.565 7.649 -12.937 454 HG23 THR 58 HG23 THR 58 -11.954 6.976 -11.354 455 H GLY 59 HN GLY 59 -17.078 6.367 -12.431 456 HA2 GLY 59 HA2 GLY 59 -19.015 7.669 -12.666 457 HA3 GLY 59 HA1 GLY 59 -18.042 9.120 -12.452 458 H ALA 60 HN ALA 60 -16.774 6.862 -14.688 459 HA ALA 60 HA ALA 60 -17.109 8.707 -16.871 460 HB1 ALA 60 HB1 ALA 60 -15.387 7.569 -17.758 461 HB2 ALA 60 HB2 ALA 60 -16.265 6.044 -17.661 462 HB3 ALA 60 HB3 ALA 60 -15.349 6.623 -16.270 463 H THR 61 HN THR 61 -18.292 8.398 -18.778 464 HA THR 61 HA THR 61 -20.864 7.310 -18.503 465 HB THR 61 HB THR 61 -19.730 7.492 -21.242 466 HG1 THR 61 HG1 THR 61 -18.966 9.411 -20.969 467 HG21 THR 61 HG21 THR 61 -22.213 7.284 -20.393 468 HG22 THR 61 HG22 THR 61 -21.836 8.353 -21.744 469 HG23 THR 61 HG23 THR 61 -22.059 9.022 -20.127 470 H VAL 62 HN VAL 62 -21.487 5.263 -18.430 471 HA VAL 62 HA VAL 62 -19.790 3.216 -19.719 472 HB VAL 62 HB VAL 62 -21.568 3.156 -17.290 473 HG11 VAL 62 HG11 VAL 62 -21.039 0.660 -17.293 474 HG12 VAL 62 HG12 VAL 62 -20.572 0.856 -18.982 475 HG13 VAL 62 HG13 VAL 62 -22.229 1.190 -18.481 476 HG21 VAL 62 HG21 VAL 62 -18.867 3.555 -17.622 477 HG22 VAL 62 HG22 VAL 62 -18.942 1.815 -17.349 478 HG23 VAL 62 HG23 VAL 62 -19.610 2.925 -16.153 479 H SER 63 HN SER 63 -20.619 1.969 -21.291 480 HA SER 63 HA SER 63 -23.540 1.882 -21.654 481 HB2 SER 63 HB2 SER 63 -21.866 3.438 -23.253 482 HB3 SER 63 HB1 SER 63 -22.134 1.975 -24.197 483 HG SER 63 HG SER 63 -24.314 2.312 -24.079 484 H TYR 64 HN TYR 64 -24.249 -0.132 -21.988 485 HA TYR 64 HA TYR 64 -22.267 -2.236 -22.490 486 HB2 TYR 64 HB2 TYR 64 -23.613 -3.644 -21.312 487 HB3 TYR 64 HB1 TYR 64 -24.259 -2.139 -20.661 488 HD1 TYR 64 HD1 TYR 64 -24.762 -4.753 -23.255 489 HD2 TYR 64 HD2 TYR 64 -26.495 -1.438 -21.140 490 HE1 TYR 64 HE1 TYR 64 -26.984 -5.304 -24.210 491 HE2 TYR 64 HE2 TYR 64 -28.717 -1.990 -22.095 492 HH TYR 64 HH TYR 64 -29.106 -4.199 -24.676 493 H LEU 65 HN LEU 65 -22.239 -3.454 -24.302 494 HA LEU 65 HA LEU 65 -23.995 -2.617 -26.494 495 HB2 LEU 65 HB2 LEU 65 -21.615 -4.484 -26.573 496 HB3 LEU 65 HB1 LEU 65 -22.426 -3.738 -27.950 497 HG LEU 65 HG LEU 65 -21.052 -2.192 -25.733 498 HD11 LEU 65 HD11 LEU 65 -19.143 -2.062 -27.032 499 HD12 LEU 65 HD12 LEU 65 -20.027 -2.302 -28.539 500 HD13 LEU 65 HD13 LEU 65 -19.693 -3.676 -27.485 501 HD21 LEU 65 HD21 LEU 65 -22.716 -0.810 -26.711 502 HD22 LEU 65 HD22 LEU 65 -22.412 -1.449 -28.326 503 HD23 LEU 65 HD23 LEU 65 -21.234 -0.380 -27.564 504 H GLY 66 HN GLY 66 -23.077 -5.509 -24.676 505 HA2 GLY 66 HA2 GLY 66 -25.156 -6.952 -24.277 506 HA3 GLY 66 HA1 GLY 66 -25.224 -7.015 -26.036 507 H LEU 67 HN LEU 67 -25.110 -9.405 -25.182 508 HA LEU 67 HA LEU 67 -22.383 -10.298 -24.652 509 HB2 LEU 67 HB2 LEU 67 -25.069 -11.649 -24.748 510 HB3 LEU 67 HB1 LEU 67 -23.580 -12.595 -24.750 511 HG LEU 67 HG LEU 67 -24.549 -12.174 -22.453 512 HD11 LEU 67 HD11 LEU 67 -21.950 -12.294 -23.284 513 HD12 LEU 67 HD12 LEU 67 -22.442 -12.249 -21.591 514 HD13 LEU 67 HD13 LEU 67 -21.951 -10.764 -22.407 515 HD21 LEU 67 HD21 LEU 67 -23.477 -9.376 -22.738 516 HD22 LEU 67 HD22 LEU 67 -24.607 -10.011 -21.543 517 HD23 LEU 67 HD23 LEU 67 -25.142 -9.731 -23.199 518 H GLU 68 HN GLU 68 -21.048 -11.227 -26.103 519 HA GLU 68 HA GLU 68 -22.024 -11.432 -28.882 520 HB2 GLU 68 HB2 GLU 68 -20.110 -9.885 -28.415 521 HB3 GLU 68 HB1 GLU 68 -19.164 -11.285 -27.907 522 HG2 GLU 68 HG2 GLU 68 -20.505 -11.597 -30.516 523 HG3 GLU 68 HG1 GLU 68 -19.263 -10.346 -30.477 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -15.738 -19.753 -23.776 2 H2 MET 1 HT2 MET 1 -14.213 -20.453 -24.043 3 H3 MET 1 HT3 MET 1 -15.019 -19.657 -25.308 4 HA MET 1 HA MET 1 -14.042 -18.354 -22.829 5 HB2 MET 1 HB2 MET 1 -12.309 -17.388 -24.257 6 HB3 MET 1 HB1 MET 1 -12.224 -19.148 -24.333 7 HG2 MET 1 HG2 MET 1 -14.021 -18.528 -26.347 8 HG3 MET 1 HG1 MET 1 -12.842 -17.220 -26.453 9 HE1 MET 1 HE1 MET 1 -10.636 -17.392 -26.226 10 HE2 MET 1 HE2 MET 1 -9.857 -18.191 -27.590 11 HE3 MET 1 HE3 MET 1 -9.686 -18.863 -25.971 12 HA PRO 2 HA PRO 2 -17.345 -15.887 -24.980 13 HB2 PRO 2 HB2 PRO 2 -18.808 -15.345 -22.736 14 HB3 PRO 2 HB1 PRO 2 -19.039 -16.802 -23.720 15 HG2 PRO 2 HG2 PRO 2 -17.627 -16.469 -21.131 16 HG3 PRO 2 HG1 PRO 2 -18.598 -17.826 -21.726 17 HD2 PRO 2 HD2 PRO 2 -15.832 -17.794 -21.698 18 HD3 PRO 2 HD1 PRO 2 -16.808 -18.807 -22.784 19 H LYS 3 HN LYS 3 -17.195 -13.705 -25.227 20 HA LYS 3 HA LYS 3 -15.720 -12.197 -23.152 21 HB2 LYS 3 HB2 LYS 3 -15.802 -11.320 -26.016 22 HB3 LYS 3 HB1 LYS 3 -14.578 -11.007 -24.786 23 HG2 LYS 3 HG2 LYS 3 -13.425 -12.661 -25.843 24 HG3 LYS 3 HG1 LYS 3 -14.487 -13.735 -24.930 25 HD2 LYS 3 HD2 LYS 3 -14.762 -14.504 -27.128 26 HD3 LYS 3 HD1 LYS 3 -16.130 -13.406 -26.938 27 HE2 LYS 3 HE2 LYS 3 -14.559 -11.586 -27.877 28 HE3 LYS 3 HE1 LYS 3 -13.527 -12.921 -28.388 29 HZ1 LYS 3 HZ1 LYS 3 -16.311 -13.265 -29.041 30 HZ2 LYS 3 HZ2 LYS 3 -14.932 -13.491 -30.006 31 HZ3 LYS 3 HZ3 LYS 3 -15.590 -11.937 -29.810 32 H HIS 4 HN HIS 4 -16.401 -10.113 -22.655 33 HA HIS 4 HA HIS 4 -19.122 -9.427 -23.595 34 HB2 HIS 4 HB2 HIS 4 -18.909 -10.024 -21.166 35 HB3 HIS 4 HB1 HIS 4 -17.827 -8.645 -20.972 36 HD1 HIS 4 HD1 HIS 4 -20.495 -8.035 -23.414 37 HD2 HIS 4 HD2 HIS 4 -20.032 -7.592 -19.294 38 HE1 HIS 4 HE1 HIS 4 -22.365 -6.510 -22.643 39 H GLU 5 HN GLU 5 -19.315 -7.590 -24.717 40 HA GLU 5 HA GLU 5 -17.033 -5.726 -24.741 41 HB2 GLU 5 HB2 GLU 5 -19.238 -6.316 -26.708 42 HB3 GLU 5 HB1 GLU 5 -18.276 -4.843 -26.821 43 HG2 GLU 5 HG2 GLU 5 -17.079 -6.325 -28.183 44 HG3 GLU 5 HG1 GLU 5 -16.231 -6.457 -26.645 45 H PHE 6 HN PHE 6 -17.208 -3.729 -23.943 46 HA PHE 6 HA PHE 6 -19.885 -2.587 -23.503 47 HB2 PHE 6 HB2 PHE 6 -18.377 -3.674 -21.436 48 HB3 PHE 6 HB1 PHE 6 -18.028 -1.948 -21.344 49 HD1 PHE 6 HD1 PHE 6 -19.859 -0.304 -21.024 50 HD2 PHE 6 HD2 PHE 6 -20.592 -4.537 -20.999 51 HE1 PHE 6 HE1 PHE 6 -22.084 0.085 -19.991 52 HE2 PHE 6 HE2 PHE 6 -22.811 -4.147 -19.964 53 HZ PHE 6 HZ PHE 6 -23.554 -1.834 -19.458 54 H SER 7 HN SER 7 -20.005 -0.405 -23.814 55 HA SER 7 HA SER 7 -17.539 0.899 -24.766 56 HB2 SER 7 HB2 SER 7 -19.417 2.601 -25.571 57 HB3 SER 7 HB1 SER 7 -19.024 1.155 -26.498 58 HG SER 7 HG SER 7 -20.763 0.488 -24.609 59 H VAL 8 HN VAL 8 -16.587 2.316 -23.471 60 HA VAL 8 HA VAL 8 -18.257 3.872 -21.594 61 HB VAL 8 HB VAL 8 -16.984 1.993 -20.473 62 HG11 VAL 8 HG11 VAL 8 -14.518 3.656 -20.764 63 HG12 VAL 8 HG12 VAL 8 -14.955 2.593 -22.102 64 HG13 VAL 8 HG13 VAL 8 -14.675 1.919 -20.497 65 HG21 VAL 8 HG21 VAL 8 -15.755 3.881 -18.937 66 HG22 VAL 8 HG22 VAL 8 -17.484 3.543 -18.867 67 HG23 VAL 8 HG23 VAL 8 -16.888 4.887 -19.839 68 H ASP 9 HN ASP 9 -17.970 6.009 -21.769 69 HA ASP 9 HA ASP 9 -15.943 7.059 -23.546 70 HB2 ASP 9 HB2 ASP 9 -18.447 7.952 -22.463 71 HB3 ASP 9 HB1 ASP 9 -17.209 9.158 -22.114 72 H MET 10 HN MET 10 -13.913 7.378 -22.874 73 HA MET 10 HA MET 10 -13.157 7.367 -20.140 74 HB2 MET 10 HB2 MET 10 -11.556 8.384 -22.497 75 HB3 MET 10 HB1 MET 10 -10.924 7.852 -20.938 76 HG2 MET 10 HG2 MET 10 -12.653 5.955 -22.476 77 HG3 MET 10 HG1 MET 10 -10.993 6.196 -23.021 78 HE1 MET 10 HE1 MET 10 -10.285 4.023 -22.796 79 HE2 MET 10 HE2 MET 10 -9.589 3.356 -21.321 80 HE3 MET 10 HE3 MET 10 -8.974 4.876 -21.968 81 H THR 11 HN THR 11 -13.501 8.919 -18.724 82 HA THR 11 HA THR 11 -13.455 11.735 -19.624 83 HB THR 11 HB THR 11 -14.633 11.986 -17.267 84 HG1 THR 11 HG1 THR 11 -14.423 9.784 -16.746 85 HG21 THR 11 HG21 THR 11 -16.801 11.113 -18.703 86 HG22 THR 11 HG22 THR 11 -15.615 11.387 -19.979 87 HG23 THR 11 HG23 THR 11 -16.053 12.700 -18.887 88 H CYS 12 HN CYS 12 -12.440 9.459 -17.129 89 HA CYS 12 HA CYS 12 -10.497 11.430 -16.110 90 HB2 CYS 12 HB2 CYS 12 -12.017 9.199 -14.888 91 HB3 CYS 12 HB1 CYS 12 -10.363 9.420 -14.324 92 HG CYS 12 HG CYS 12 -12.602 11.583 -14.089 93 H GLY 13 HN GLY 13 -10.173 9.928 -18.594 94 HA2 GLY 13 HA2 GLY 13 -8.810 7.773 -18.987 95 HA3 GLY 13 HA1 GLY 13 -8.052 9.278 -19.498 96 H GLY 14 HN GLY 14 -7.214 10.437 -17.229 97 HA2 GLY 14 HA2 GLY 14 -4.882 8.984 -16.546 98 HA3 GLY 14 HA1 GLY 14 -5.455 10.445 -15.744 99 H CYS 15 HN CYS 15 -7.796 9.760 -14.632 100 HA CYS 15 HA CYS 15 -6.969 7.937 -12.523 101 HB2 CYS 15 HB2 CYS 15 -9.644 8.827 -12.146 102 HB3 CYS 15 HB1 CYS 15 -8.194 9.327 -11.278 103 HG CYS 15 HG CYS 15 -8.232 10.811 -13.865 104 H ALA 16 HN ALA 16 -9.548 8.141 -14.972 105 HA ALA 16 HA ALA 16 -11.027 5.885 -14.245 106 HB1 ALA 16 HB1 ALA 16 -10.657 6.263 -17.147 107 HB2 ALA 16 HB2 ALA 16 -11.165 7.708 -16.272 108 HB3 ALA 16 HB3 ALA 16 -12.138 6.239 -16.189 109 H GLU 17 HN GLU 17 -7.984 6.140 -16.001 110 HA GLU 17 HA GLU 17 -7.895 3.488 -16.994 111 HB2 GLU 17 HB2 GLU 17 -6.402 5.222 -17.849 112 HB3 GLU 17 HB1 GLU 17 -5.642 5.378 -16.265 113 HG2 GLU 17 HG2 GLU 17 -4.227 3.972 -17.628 114 HG3 GLU 17 HG1 GLU 17 -4.997 2.948 -16.418 115 H ALA 18 HN ALA 18 -6.634 4.971 -14.019 116 HA ALA 18 HA ALA 18 -5.457 2.620 -12.966 117 HB1 ALA 18 HB1 ALA 18 -5.110 5.042 -12.199 118 HB2 ALA 18 HB2 ALA 18 -5.247 3.825 -10.931 119 HB3 ALA 18 HB3 ALA 18 -6.623 4.859 -11.311 120 H VAL 19 HN VAL 19 -8.703 3.862 -13.027 121 HA VAL 19 HA VAL 19 -9.816 2.277 -10.954 122 HB VAL 19 HB VAL 19 -11.054 3.583 -13.381 123 HG11 VAL 19 HG11 VAL 19 -12.261 1.973 -11.136 124 HG12 VAL 19 HG12 VAL 19 -12.558 1.836 -12.869 125 HG13 VAL 19 HG13 VAL 19 -13.193 3.215 -11.971 126 HG21 VAL 19 HG21 VAL 19 -10.853 5.417 -12.083 127 HG22 VAL 19 HG22 VAL 19 -10.243 4.456 -10.736 128 HG23 VAL 19 HG23 VAL 19 -11.981 4.668 -10.954 129 H SER 20 HN SER 20 -9.276 1.720 -14.397 130 HA SER 20 HA SER 20 -10.857 -0.550 -14.763 131 HB2 SER 20 HB2 SER 20 -9.908 0.325 -16.717 132 HB3 SER 20 HB1 SER 20 -8.293 0.392 -16.018 133 HG SER 20 HG SER 20 -9.294 -1.512 -17.490 134 H ARG 21 HN ARG 21 -7.648 -0.229 -13.318 135 HA ARG 21 HA ARG 21 -6.922 -2.934 -13.208 136 HB2 ARG 21 HB2 ARG 21 -6.221 -0.485 -11.670 137 HB3 ARG 21 HB1 ARG 21 -5.846 -2.035 -10.915 138 HG2 ARG 21 HG2 ARG 21 -4.572 -2.733 -12.870 139 HG3 ARG 21 HG1 ARG 21 -5.033 -1.264 -13.732 140 HD2 ARG 21 HD2 ARG 21 -2.807 -0.933 -12.860 141 HD3 ARG 21 HD1 ARG 21 -3.907 0.067 -11.916 142 HE ARG 21 HE ARG 21 -3.582 -1.372 -10.074 143 HH11 ARG 21 HH21 ARG 21 -1.990 -2.456 -12.951 144 HH12 ARG 21 HH22 ARG 21 -0.996 -3.612 -12.131 145 HH21 ARG 21 HH11 ARG 21 -2.280 -2.887 -8.992 146 HH22 ARG 21 HH12 ARG 21 -1.157 -3.854 -9.889 147 H VAL 22 HN VAL 22 -8.978 -0.990 -11.119 148 HA VAL 22 HA VAL 22 -9.388 -2.782 -9.011 149 HB VAL 22 HB VAL 22 -11.298 -0.754 -10.190 150 HG11 VAL 22 HG11 VAL 22 -12.304 -0.806 -7.910 151 HG12 VAL 22 HG12 VAL 22 -11.251 -2.162 -7.507 152 HG13 VAL 22 HG13 VAL 22 -12.477 -2.340 -8.763 153 HG21 VAL 22 HG21 VAL 22 -9.006 -0.633 -8.265 154 HG22 VAL 22 HG22 VAL 22 -10.384 0.438 -8.012 155 HG23 VAL 22 HG23 VAL 22 -9.473 0.512 -9.522 156 H LEU 23 HN LEU 23 -10.467 -2.944 -12.271 157 HA LEU 23 HA LEU 23 -12.887 -4.318 -12.028 158 HB2 LEU 23 HB2 LEU 23 -12.069 -3.453 -14.171 159 HB3 LEU 23 HB1 LEU 23 -10.760 -4.634 -14.158 160 HG LEU 23 HG LEU 23 -12.384 -6.472 -14.188 161 HD11 LEU 23 HD11 LEU 23 -14.268 -5.708 -13.025 162 HD12 LEU 23 HD12 LEU 23 -14.829 -5.686 -14.697 163 HD13 LEU 23 HD13 LEU 23 -14.323 -4.188 -13.916 164 HD21 LEU 23 HD21 LEU 23 -12.137 -4.446 -16.271 165 HD22 LEU 23 HD22 LEU 23 -13.664 -5.319 -16.393 166 HD23 LEU 23 HD23 LEU 23 -12.138 -6.203 -16.420 167 H ASN 24 HN ASN 24 -9.575 -5.503 -11.760 168 HA ASN 24 HA ASN 24 -10.000 -8.239 -12.035 169 HB2 ASN 24 HB2 ASN 24 -8.100 -6.699 -10.265 170 HB3 ASN 24 HB1 ASN 24 -8.073 -8.457 -10.384 171 HD21 ASN 24 HD21 ASN 24 -6.951 -9.352 -12.147 172 HD22 ASN 24 HD22 ASN 24 -6.360 -8.447 -13.457 173 H LYS 25 HN LYS 25 -10.622 -6.132 -9.266 174 HA LYS 25 HA LYS 25 -11.179 -8.210 -7.403 175 HB2 LYS 25 HB2 LYS 25 -10.633 -5.941 -6.673 176 HB3 LYS 25 HB1 LYS 25 -12.104 -5.330 -7.432 177 HG2 LYS 25 HG2 LYS 25 -13.239 -5.796 -5.546 178 HG3 LYS 25 HG1 LYS 25 -12.883 -7.507 -5.784 179 HD2 LYS 25 HD2 LYS 25 -10.728 -7.219 -4.605 180 HD3 LYS 25 HD1 LYS 25 -11.102 -5.515 -4.348 181 HE2 LYS 25 HE2 LYS 25 -11.886 -6.368 -2.352 182 HE3 LYS 25 HE1 LYS 25 -13.345 -6.545 -3.326 183 HZ1 LYS 25 HZ1 LYS 25 -13.042 -8.620 -2.350 184 HZ2 LYS 25 HZ2 LYS 25 -11.360 -8.606 -2.590 185 HZ3 LYS 25 HZ3 LYS 25 -12.407 -8.822 -3.910 186 H LEU 26 HN LEU 26 -13.295 -6.220 -9.480 187 HA LEU 26 HA LEU 26 -15.683 -7.561 -8.570 188 HB2 LEU 26 HB2 LEU 26 -15.127 -5.157 -9.852 189 HB3 LEU 26 HB1 LEU 26 -15.921 -6.124 -11.093 190 HG LEU 26 HG LEU 26 -17.657 -4.977 -9.916 191 HD11 LEU 26 HD11 LEU 26 -17.623 -7.679 -10.156 192 HD12 LEU 26 HD12 LEU 26 -19.005 -6.779 -9.533 193 HD13 LEU 26 HD13 LEU 26 -17.864 -7.526 -8.416 194 HD21 LEU 26 HD21 LEU 26 -15.915 -5.537 -7.609 195 HD22 LEU 26 HD22 LEU 26 -17.630 -5.771 -7.277 196 HD23 LEU 26 HD23 LEU 26 -17.050 -4.213 -7.864 197 H GLY 27 HN GLY 27 -13.620 -7.668 -11.443 198 HA2 GLY 27 HA2 GLY 27 -15.252 -9.854 -12.542 199 HA3 GLY 27 HA1 GLY 27 -14.053 -8.920 -13.430 200 H GLY 28 HN GLY 28 -11.829 -9.073 -11.860 201 HA2 GLY 28 HA2 GLY 28 -10.012 -10.444 -11.475 202 HA3 GLY 28 HA1 GLY 28 -11.171 -11.546 -10.731 203 H VAL 29 HN VAL 29 -11.247 -10.476 -14.070 204 HA VAL 29 HA VAL 29 -10.526 -13.205 -14.959 205 HB VAL 29 HB VAL 29 -12.223 -12.886 -16.773 206 HG11 VAL 29 HG11 VAL 29 -13.978 -12.624 -14.488 207 HG12 VAL 29 HG12 VAL 29 -12.581 -13.615 -14.071 208 HG13 VAL 29 HG13 VAL 29 -13.603 -14.063 -15.437 209 HG21 VAL 29 HG21 VAL 29 -13.903 -11.123 -16.478 210 HG22 VAL 29 HG22 VAL 29 -12.299 -10.405 -16.623 211 HG23 VAL 29 HG23 VAL 29 -13.064 -10.542 -15.039 212 H LYS 30 HN LYS 30 -10.464 -12.991 -17.552 213 HA LYS 30 HA LYS 30 -8.156 -11.332 -18.067 214 HB2 LYS 30 HB2 LYS 30 -9.713 -13.375 -19.631 215 HB3 LYS 30 HB1 LYS 30 -8.542 -12.339 -20.442 216 HG2 LYS 30 HG2 LYS 30 -7.244 -14.197 -19.843 217 HG3 LYS 30 HG1 LYS 30 -6.927 -13.075 -18.522 218 HD2 LYS 30 HD2 LYS 30 -7.436 -15.028 -17.353 219 HD3 LYS 30 HD1 LYS 30 -9.013 -14.242 -17.416 220 HE2 LYS 30 HE2 LYS 30 -9.680 -16.263 -18.247 221 HE3 LYS 30 HE1 LYS 30 -9.072 -15.598 -19.762 222 HZ1 LYS 30 HZ1 LYS 30 -7.661 -17.401 -17.882 223 HZ2 LYS 30 HZ2 LYS 30 -6.872 -16.578 -19.142 224 HZ3 LYS 30 HZ3 LYS 30 -8.089 -17.712 -19.494 225 H TYR 31 HN TYR 31 -8.136 -9.383 -18.994 226 HA TYR 31 HA TYR 31 -10.377 -8.523 -20.667 227 HB2 TYR 31 HB2 TYR 31 -10.559 -6.378 -19.392 228 HB3 TYR 31 HB1 TYR 31 -11.097 -7.789 -18.480 229 HD1 TYR 31 HD2 TYR 31 -8.076 -5.660 -19.089 230 HD2 TYR 31 HD1 TYR 31 -10.164 -8.254 -16.377 231 HE1 TYR 31 HE2 TYR 31 -6.408 -5.157 -17.324 232 HE2 TYR 31 HE1 TYR 31 -8.498 -7.750 -14.611 233 HH TYR 31 HH TYR 31 -5.666 -6.722 -14.996 234 H ASP 32 HN ASP 32 -9.923 -6.434 -21.744 235 HA ASP 32 HA ASP 32 -7.103 -5.658 -21.851 236 HB2 ASP 32 HB2 ASP 32 -6.957 -7.207 -23.580 237 HB3 ASP 32 HB1 ASP 32 -8.625 -6.952 -24.085 238 H ILE 33 HN ILE 33 -6.904 -3.504 -22.081 239 HA ILE 33 HA ILE 33 -9.322 -1.984 -22.820 240 HB ILE 33 HB ILE 33 -7.780 -0.099 -21.727 241 HG12 ILE 33 HG12 ILE 33 -6.608 -1.126 -19.749 242 HG13 ILE 33 HG11 ILE 33 -6.862 -2.711 -20.480 243 HG21 ILE 33 HG21 ILE 33 -9.844 -0.350 -20.724 244 HG22 ILE 33 HG22 ILE 33 -8.827 -1.028 -19.454 245 HG23 ILE 33 HG23 ILE 33 -9.675 -2.099 -20.571 246 HD11 ILE 33 HD11 ILE 33 -5.587 -0.549 -22.123 247 HD12 ILE 33 HD12 ILE 33 -5.371 -2.298 -22.216 248 HD13 ILE 33 HD13 ILE 33 -4.613 -1.385 -20.912 249 H ASP 34 HN ASP 34 -9.323 -0.798 -24.631 250 HA ASP 34 HA ASP 34 -6.742 -0.430 -26.027 251 HB2 ASP 34 HB2 ASP 34 -8.975 -1.717 -26.952 252 HB3 ASP 34 HB1 ASP 34 -9.206 -0.093 -27.595 253 H LEU 35 HN LEU 35 -6.094 1.549 -25.359 254 HA LEU 35 HA LEU 35 -7.757 3.759 -24.848 255 HB2 LEU 35 HB2 LEU 35 -4.972 4.215 -25.827 256 HB3 LEU 35 HB1 LEU 35 -5.829 4.959 -24.482 257 HG LEU 35 HG LEU 35 -4.758 2.123 -24.565 258 HD11 LEU 35 HD11 LEU 35 -3.836 3.717 -22.366 259 HD12 LEU 35 HD12 LEU 35 -3.563 4.613 -23.860 260 HD13 LEU 35 HD13 LEU 35 -2.890 2.995 -23.668 261 HD21 LEU 35 HD21 LEU 35 -6.690 3.534 -22.801 262 HD22 LEU 35 HD22 LEU 35 -5.455 2.577 -21.983 263 HD23 LEU 35 HD23 LEU 35 -6.536 1.812 -23.147 264 HA PRO 36 HA PRO 36 -6.495 5.032 -29.419 265 HB2 PRO 36 HB2 PRO 36 -6.676 2.348 -30.667 266 HB3 PRO 36 HB1 PRO 36 -5.495 3.642 -30.939 267 HG2 PRO 36 HG2 PRO 36 -4.869 1.415 -29.601 268 HG3 PRO 36 HG1 PRO 36 -4.177 2.992 -29.183 269 HD2 PRO 36 HD2 PRO 36 -6.334 1.450 -27.788 270 HD3 PRO 36 HD1 PRO 36 -5.060 2.483 -27.103 271 H ASN 37 HN ASN 37 -8.687 2.400 -28.610 272 HA ASN 37 HA ASN 37 -10.702 3.500 -30.464 273 HB2 ASN 37 HB2 ASN 37 -10.095 0.799 -29.425 274 HB3 ASN 37 HB1 ASN 37 -11.807 1.198 -29.556 275 HD21 ASN 37 HD21 ASN 37 -8.860 0.625 -31.405 276 HD22 ASN 37 HD22 ASN 37 -9.600 0.652 -32.933 277 H LYS 38 HN LYS 38 -9.791 3.581 -27.257 278 HA LYS 38 HA LYS 38 -10.828 4.211 -25.309 279 HB2 LYS 38 HB2 LYS 38 -12.988 5.410 -27.034 280 HB3 LYS 38 HB1 LYS 38 -12.363 5.991 -25.489 281 HG2 LYS 38 HG2 LYS 38 -10.075 6.046 -26.895 282 HG3 LYS 38 HG1 LYS 38 -11.211 6.273 -28.225 283 HD2 LYS 38 HD2 LYS 38 -11.332 7.919 -25.688 284 HD3 LYS 38 HD1 LYS 38 -10.386 8.409 -27.094 285 HE2 LYS 38 HE2 LYS 38 -13.053 7.603 -27.892 286 HE3 LYS 38 HE1 LYS 38 -13.125 8.872 -26.670 287 HZ1 LYS 38 HZ1 LYS 38 -11.166 9.771 -28.246 288 HZ2 LYS 38 HZ2 LYS 38 -12.799 10.205 -28.426 289 HZ3 LYS 38 HZ3 LYS 38 -12.133 8.975 -29.390 290 H LYS 39 HN LYS 39 -11.410 1.619 -26.253 291 HA LYS 39 HA LYS 39 -14.136 1.253 -25.175 292 HB2 LYS 39 HB2 LYS 39 -13.248 0.610 -27.780 293 HB3 LYS 39 HB1 LYS 39 -13.372 -0.919 -26.910 294 HG2 LYS 39 HG2 LYS 39 -15.536 -0.503 -27.862 295 HG3 LYS 39 HG1 LYS 39 -15.674 -0.160 -26.138 296 HD2 LYS 39 HD2 LYS 39 -16.360 1.926 -26.624 297 HD3 LYS 39 HD1 LYS 39 -14.806 2.239 -27.397 298 HE2 LYS 39 HE2 LYS 39 -16.619 2.641 -28.994 299 HE3 LYS 39 HE1 LYS 39 -15.674 1.241 -29.501 300 HZ1 LYS 39 HZ1 LYS 39 -18.006 0.750 -29.664 301 HZ2 LYS 39 HZ2 LYS 39 -18.259 1.186 -28.042 302 HZ3 LYS 39 HZ3 LYS 39 -17.331 -0.185 -28.420 303 H VAL 40 HN VAL 40 -14.445 -0.932 -24.204 304 HA VAL 40 HA VAL 40 -11.913 -2.102 -23.240 305 HB VAL 40 HB VAL 40 -14.315 -1.601 -21.476 306 HG11 VAL 40 HG11 VAL 40 -13.170 -3.280 -20.398 307 HG12 VAL 40 HG12 VAL 40 -12.211 -1.912 -19.829 308 HG13 VAL 40 HG13 VAL 40 -11.641 -2.886 -21.185 309 HG21 VAL 40 HG21 VAL 40 -13.520 0.571 -21.826 310 HG22 VAL 40 HG22 VAL 40 -11.857 0.032 -22.058 311 HG23 VAL 40 HG23 VAL 40 -12.557 0.061 -20.439 312 H CYS 41 HN CYS 41 -11.838 -4.203 -23.617 313 HA CYS 41 HA CYS 41 -14.380 -5.684 -23.908 314 HB2 CYS 41 HB2 CYS 41 -12.938 -5.637 -25.932 315 HB3 CYS 41 HB1 CYS 41 -11.640 -6.383 -24.998 316 HG CYS 41 HG CYS 41 -14.244 -7.804 -25.901 317 H ILE 42 HN ILE 42 -14.852 -6.811 -22.124 318 HA ILE 42 HA ILE 42 -12.627 -8.122 -20.683 319 HB ILE 42 HB ILE 42 -13.375 -6.363 -19.268 320 HG12 ILE 42 HG12 ILE 42 -13.409 -8.954 -18.493 321 HG13 ILE 42 HG11 ILE 42 -13.742 -7.624 -17.387 322 HG21 ILE 42 HG21 ILE 42 -15.840 -6.189 -18.683 323 HG22 ILE 42 HG22 ILE 42 -16.155 -7.307 -20.010 324 HG23 ILE 42 HG23 ILE 42 -15.431 -5.733 -20.337 325 HD11 ILE 42 HD11 ILE 42 -15.993 -8.836 -18.975 326 HD12 ILE 42 HD12 ILE 42 -16.050 -7.994 -17.428 327 HD13 ILE 42 HD13 ILE 42 -15.415 -9.636 -17.515 328 H GLU 43 HN GLU 43 -12.851 -10.229 -20.204 329 HA GLU 43 HA GLU 43 -15.390 -11.530 -20.977 330 HB2 GLU 43 HB2 GLU 43 -13.705 -12.478 -22.320 331 HB3 GLU 43 HB1 GLU 43 -12.523 -12.452 -21.011 332 HG2 GLU 43 HG2 GLU 43 -14.977 -14.036 -20.497 333 HG3 GLU 43 HG1 GLU 43 -13.891 -14.680 -21.729 334 H SER 44 HN SER 44 -16.616 -12.045 -19.264 335 HA SER 44 HA SER 44 -15.246 -12.968 -16.811 336 HB2 SER 44 HB2 SER 44 -16.021 -11.029 -15.911 337 HB3 SER 44 HB1 SER 44 -17.223 -10.806 -17.179 338 HG SER 44 HG SER 44 -18.054 -11.320 -15.034 339 H GLU 45 HN GLU 45 -16.647 -14.257 -15.385 340 HA GLU 45 HA GLU 45 -17.983 -16.312 -16.867 341 HB2 GLU 45 HB2 GLU 45 -18.056 -15.945 -13.876 342 HB3 GLU 45 HB1 GLU 45 -18.129 -17.444 -14.799 343 HG2 GLU 45 HG2 GLU 45 -15.806 -17.032 -15.596 344 HG3 GLU 45 HG1 GLU 45 -15.737 -15.598 -14.574 345 H HIS 46 HN HIS 46 -18.911 -13.389 -15.310 346 HA HIS 46 HA HIS 46 -21.762 -14.149 -15.436 347 HB2 HIS 46 HB2 HIS 46 -20.480 -11.847 -13.945 348 HB3 HIS 46 HB1 HIS 46 -22.175 -12.327 -13.872 349 HD1 HIS 46 HD1 HIS 46 -21.345 -15.483 -13.875 350 HD2 HIS 46 HD2 HIS 46 -20.103 -12.550 -11.187 351 HE1 HIS 46 HE1 HIS 46 -20.658 -16.695 -11.758 352 H SER 47 HN SER 47 -19.465 -11.551 -16.179 353 HA SER 47 HA SER 47 -19.524 -9.848 -17.721 354 HB2 SER 47 HB2 SER 47 -19.490 -11.360 -19.482 355 HB3 SER 47 HB1 SER 47 -21.040 -12.069 -19.039 356 HG SER 47 HG SER 47 -22.031 -10.134 -19.730 357 H MET 48 HN MET 48 -20.505 -7.965 -17.489 358 HA MET 48 HA MET 48 -22.247 -6.418 -17.634 359 HB2 MET 48 HB2 MET 48 -23.500 -8.393 -18.833 360 HB3 MET 48 HB1 MET 48 -24.308 -8.563 -17.274 361 HG2 MET 48 HG2 MET 48 -25.097 -6.287 -17.347 362 HG3 MET 48 HG1 MET 48 -24.110 -5.934 -18.765 363 HE1 MET 48 HE1 MET 48 -27.608 -6.102 -17.938 364 HE2 MET 48 HE2 MET 48 -27.033 -7.584 -17.181 365 HE3 MET 48 HE3 MET 48 -28.229 -7.669 -18.472 366 H ASP 49 HN ASP 49 -21.069 -6.233 -15.502 367 HA ASP 49 HA ASP 49 -22.706 -5.493 -13.463 368 HB2 ASP 49 HB2 ASP 49 -22.307 -7.527 -11.868 369 HB3 ASP 49 HB1 ASP 49 -23.642 -7.579 -13.019 370 H THR 50 HN THR 50 -19.742 -7.260 -14.177 371 HA THR 50 HA THR 50 -18.314 -6.199 -11.905 372 HB THR 50 HB THR 50 -17.498 -8.285 -12.537 373 HG1 THR 50 HG1 THR 50 -15.584 -7.440 -14.073 374 HG21 THR 50 HG21 THR 50 -18.324 -8.968 -14.547 375 HG22 THR 50 HG22 THR 50 -16.783 -8.378 -15.172 376 HG23 THR 50 HG23 THR 50 -18.216 -7.352 -15.249 377 H LEU 51 HN LEU 51 -18.402 -5.553 -15.391 378 HA LEU 51 HA LEU 51 -16.273 -3.704 -15.454 379 HB2 LEU 51 HB2 LEU 51 -17.770 -2.888 -17.537 380 HB3 LEU 51 HB1 LEU 51 -16.751 -4.327 -17.583 381 HG LEU 51 HG LEU 51 -19.482 -4.683 -16.470 382 HD11 LEU 51 HD11 LEU 51 -18.981 -4.340 -19.436 383 HD12 LEU 51 HD12 LEU 51 -19.855 -3.193 -18.422 384 HD13 LEU 51 HD13 LEU 51 -20.504 -4.811 -18.684 385 HD21 LEU 51 HD21 LEU 51 -18.291 -6.362 -18.625 386 HD22 LEU 51 HD22 LEU 51 -19.157 -6.852 -17.170 387 HD23 LEU 51 HD23 LEU 51 -17.466 -6.362 -17.066 388 H LEU 52 HN LEU 52 -19.801 -3.040 -15.410 389 HA LEU 52 HA LEU 52 -19.629 -0.269 -15.399 390 HB2 LEU 52 HB2 LEU 52 -21.860 -0.513 -14.015 391 HB3 LEU 52 HB1 LEU 52 -21.794 -0.985 -15.711 392 HG LEU 52 HG LEU 52 -21.060 -3.029 -13.657 393 HD11 LEU 52 HD11 LEU 52 -23.033 -2.576 -12.576 394 HD12 LEU 52 HD12 LEU 52 -23.700 -3.532 -13.899 395 HD13 LEU 52 HD13 LEU 52 -23.736 -1.771 -13.979 396 HD21 LEU 52 HD21 LEU 52 -21.351 -4.429 -15.403 397 HD22 LEU 52 HD22 LEU 52 -21.412 -2.991 -16.419 398 HD23 LEU 52 HD23 LEU 52 -22.905 -3.716 -15.823 399 H ALA 53 HN ALA 53 -19.767 -2.447 -12.565 400 HA ALA 53 HA ALA 53 -19.779 -0.471 -10.596 401 HB1 ALA 53 HB1 ALA 53 -19.664 -2.232 -9.200 402 HB2 ALA 53 HB2 ALA 53 -18.119 -2.754 -9.869 403 HB3 ALA 53 HB3 ALA 53 -19.625 -3.247 -10.642 404 H THR 54 HN THR 54 -16.994 -2.087 -12.126 405 HA THR 54 HA THR 54 -15.042 -0.560 -10.708 406 HB THR 54 HB THR 54 -14.512 -1.832 -13.374 407 HG1 THR 54 HG1 THR 54 -15.743 -3.318 -12.200 408 HG21 THR 54 HG21 THR 54 -12.874 -0.535 -11.720 409 HG22 THR 54 HG22 THR 54 -12.338 -1.964 -12.602 410 HG23 THR 54 HG23 THR 54 -12.838 -2.104 -10.919 411 H LEU 55 HN LEU 55 -16.402 -0.334 -13.989 412 HA LEU 55 HA LEU 55 -14.816 1.799 -14.879 413 HB2 LEU 55 HB2 LEU 55 -17.400 0.583 -15.694 414 HB3 LEU 55 HB1 LEU 55 -17.078 2.215 -16.277 415 HG LEU 55 HG LEU 55 -14.887 1.458 -17.158 416 HD11 LEU 55 HD11 LEU 55 -14.761 -0.457 -15.438 417 HD12 LEU 55 HD12 LEU 55 -14.196 -0.810 -17.071 418 HD13 LEU 55 HD13 LEU 55 -15.790 -1.359 -16.550 419 HD21 LEU 55 HD21 LEU 55 -17.169 1.266 -18.416 420 HD22 LEU 55 HD22 LEU 55 -16.963 -0.470 -18.182 421 HD23 LEU 55 HD23 LEU 55 -15.761 0.446 -19.092 422 H LYS 56 HN LYS 56 -17.955 1.825 -13.202 423 HA LYS 56 HA LYS 56 -18.345 4.626 -13.325 424 HB2 LYS 56 HB2 LYS 56 -19.431 2.531 -11.437 425 HB3 LYS 56 HB1 LYS 56 -19.965 4.213 -11.449 426 HG2 LYS 56 HG2 LYS 56 -20.047 2.375 -13.859 427 HG3 LYS 56 HG1 LYS 56 -21.431 2.725 -12.824 428 HD2 LYS 56 HD2 LYS 56 -20.512 5.246 -13.396 429 HD3 LYS 56 HD1 LYS 56 -20.162 4.387 -14.896 430 HE2 LYS 56 HE2 LYS 56 -22.433 5.352 -14.951 431 HE3 LYS 56 HE1 LYS 56 -22.496 3.590 -14.991 432 HZ1 LYS 56 HZ1 LYS 56 -22.977 3.544 -12.662 433 HZ2 LYS 56 HZ2 LYS 56 -24.079 4.597 -13.412 434 HZ3 LYS 56 HZ3 LYS 56 -22.771 5.222 -12.526 435 H LYS 57 HN LYS 57 -16.602 2.579 -11.044 436 HA LYS 57 HA LYS 57 -16.341 3.926 -8.770 437 HB2 LYS 57 HB2 LYS 57 -14.688 2.147 -10.127 438 HB3 LYS 57 HB1 LYS 57 -13.646 3.527 -9.787 439 HG2 LYS 57 HG2 LYS 57 -15.388 2.138 -7.728 440 HG3 LYS 57 HG1 LYS 57 -13.661 1.843 -7.939 441 HD2 LYS 57 HD2 LYS 57 -13.293 4.323 -7.572 442 HD3 LYS 57 HD1 LYS 57 -14.992 4.434 -7.112 443 HE2 LYS 57 HE2 LYS 57 -12.842 2.777 -5.766 444 HE3 LYS 57 HE1 LYS 57 -13.709 4.153 -5.083 445 HZ1 LYS 57 HZ1 LYS 57 -15.029 1.648 -5.968 446 HZ2 LYS 57 HZ2 LYS 57 -15.729 2.929 -5.098 447 HZ3 LYS 57 HZ3 LYS 57 -14.553 1.944 -4.368 448 H THR 58 HN THR 58 -14.775 5.006 -11.792 449 HA THR 58 HA THR 58 -13.789 7.416 -10.509 450 HB THR 58 HB THR 58 -13.711 7.421 -13.415 451 HG1 THR 58 HG1 THR 58 -13.164 5.439 -13.740 452 HG21 THR 58 HG21 THR 58 -11.280 7.616 -12.936 453 HG22 THR 58 HG22 THR 58 -11.612 7.297 -11.234 454 HG23 THR 58 HG23 THR 58 -12.241 8.757 -11.997 455 H GLY 59 HN GLY 59 -16.537 6.419 -12.401 456 HA2 GLY 59 HA2 GLY 59 -18.560 7.760 -12.254 457 HA3 GLY 59 HA1 GLY 59 -17.546 9.197 -12.296 458 H ALA 60 HN ALA 60 -16.561 6.685 -14.388 459 HA ALA 60 HA ALA 60 -17.063 8.297 -16.715 460 HB1 ALA 60 HB1 ALA 60 -15.886 6.622 -17.922 461 HB2 ALA 60 HB2 ALA 60 -16.211 5.401 -16.691 462 HB3 ALA 60 HB3 ALA 60 -15.089 6.720 -16.351 463 H THR 61 HN THR 61 -18.471 7.878 -18.417 464 HA THR 61 HA THR 61 -20.981 6.744 -17.703 465 HB THR 61 HB THR 61 -20.961 6.981 -20.480 466 HG1 THR 61 HG1 THR 61 -19.033 8.561 -19.253 467 HG21 THR 61 HG21 THR 61 -21.578 9.095 -18.398 468 HG22 THR 61 HG22 THR 61 -22.673 7.798 -18.879 469 HG23 THR 61 HG23 THR 61 -22.213 9.039 -20.043 470 H VAL 62 HN VAL 62 -21.851 4.800 -18.099 471 HA VAL 62 HA VAL 62 -20.199 2.837 -19.571 472 HB VAL 62 HB VAL 62 -20.745 2.693 -16.938 473 HG11 VAL 62 HG11 VAL 62 -22.658 1.315 -16.491 474 HG12 VAL 62 HG12 VAL 62 -22.963 1.075 -18.211 475 HG13 VAL 62 HG13 VAL 62 -23.223 2.660 -17.481 476 HG21 VAL 62 HG21 VAL 62 -20.856 0.035 -17.587 477 HG22 VAL 62 HG22 VAL 62 -19.371 0.984 -17.550 478 HG23 VAL 62 HG23 VAL 62 -20.210 0.724 -19.076 479 H SER 63 HN SER 63 -21.151 1.794 -21.243 480 HA SER 63 HA SER 63 -24.086 2.017 -21.516 481 HB2 SER 63 HB2 SER 63 -21.944 2.846 -23.400 482 HB3 SER 63 HB1 SER 63 -23.359 2.061 -24.093 483 HG SER 63 HG SER 63 -24.155 3.807 -22.243 484 H TYR 64 HN TYR 64 -25.076 0.143 -21.881 485 HA TYR 64 HA TYR 64 -23.492 -2.261 -22.316 486 HB2 TYR 64 HB2 TYR 64 -25.207 -2.525 -20.700 487 HB3 TYR 64 HB1 TYR 64 -26.405 -1.742 -21.729 488 HD1 TYR 64 HD1 TYR 64 -23.882 -4.446 -22.378 489 HD2 TYR 64 HD2 TYR 64 -28.023 -3.301 -22.352 490 HE1 TYR 64 HE1 TYR 64 -24.498 -6.650 -23.336 491 HE2 TYR 64 HE2 TYR 64 -28.638 -5.504 -23.312 492 HH TYR 64 HH TYR 64 -27.826 -7.673 -23.597 493 H LEU 65 HN LEU 65 -23.035 -2.961 -24.305 494 HA LEU 65 HA LEU 65 -24.735 -2.089 -26.540 495 HB2 LEU 65 HB2 LEU 65 -22.001 -3.385 -26.612 496 HB3 LEU 65 HB1 LEU 65 -22.867 -2.678 -27.976 497 HG LEU 65 HG LEU 65 -22.177 -1.088 -25.500 498 HD11 LEU 65 HD11 LEU 65 -20.477 -1.939 -27.753 499 HD12 LEU 65 HD12 LEU 65 -20.017 -1.302 -26.173 500 HD13 LEU 65 HD13 LEU 65 -20.482 -0.198 -27.468 501 HD21 LEU 65 HD21 LEU 65 -22.416 0.784 -27.219 502 HD22 LEU 65 HD22 LEU 65 -23.907 -0.064 -26.809 503 HD23 LEU 65 HD23 LEU 65 -23.070 -0.430 -28.318 504 H GLY 66 HN GLY 66 -23.120 -5.037 -25.333 505 HA2 GLY 66 HA2 GLY 66 -25.180 -6.806 -25.439 506 HA3 GLY 66 HA1 GLY 66 -24.635 -6.738 -27.113 507 H LEU 67 HN LEU 67 -24.383 -9.132 -26.223 508 HA LEU 67 HA LEU 67 -21.717 -9.469 -25.021 509 HB2 LEU 67 HB2 LEU 67 -23.873 -11.534 -25.526 510 HB3 LEU 67 HB1 LEU 67 -22.379 -11.782 -24.625 511 HG LEU 67 HG LEU 67 -24.405 -9.672 -23.858 512 HD11 LEU 67 HD11 LEU 67 -24.485 -12.586 -23.507 513 HD12 LEU 67 HD12 LEU 67 -25.761 -11.391 -23.273 514 HD13 LEU 67 HD13 LEU 67 -24.596 -11.700 -21.986 515 HD21 LEU 67 HD21 LEU 67 -21.822 -10.671 -22.828 516 HD22 LEU 67 HD22 LEU 67 -23.081 -10.512 -21.604 517 HD23 LEU 67 HD23 LEU 67 -22.611 -9.115 -22.570 518 H GLU 68 HN GLU 68 -20.045 -10.356 -26.119 519 HA GLU 68 HA GLU 68 -18.790 -11.006 -27.932 520 HB2 GLU 68 HB2 GLU 68 -19.709 -13.153 -27.755 521 HB3 GLU 68 HB1 GLU 68 -21.315 -12.608 -28.242 522 HG2 GLU 68 HG2 GLU 68 -19.045 -12.282 -30.167 523 HG3 GLU 68 HG1 GLU 68 -19.756 -13.882 -29.960 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -16.029 -20.182 -23.984 2 H2 MET 1 HT2 MET 1 -14.771 -20.402 -22.863 3 H3 MET 1 HT3 MET 1 -14.606 -19.269 -24.119 4 HA MET 1 HA MET 1 -16.706 -19.068 -22.044 5 HB2 MET 1 HB2 MET 1 -13.867 -18.047 -22.086 6 HB3 MET 1 HB1 MET 1 -15.123 -17.233 -21.153 7 HG2 MET 1 HG2 MET 1 -15.629 -19.602 -20.198 8 HG3 MET 1 HG1 MET 1 -14.025 -20.015 -20.804 9 HE1 MET 1 HE1 MET 1 -11.555 -17.991 -19.127 10 HE2 MET 1 HE2 MET 1 -12.092 -19.003 -20.467 11 HE3 MET 1 HE3 MET 1 -11.889 -19.709 -18.865 12 HA PRO 2 HA PRO 2 -17.985 -15.960 -24.962 13 HB2 PRO 2 HB2 PRO 2 -19.819 -14.668 -23.422 14 HB3 PRO 2 HB1 PRO 2 -20.106 -16.281 -24.104 15 HG2 PRO 2 HG2 PRO 2 -19.312 -15.508 -21.343 16 HG3 PRO 2 HG1 PRO 2 -20.433 -16.768 -21.884 17 HD2 PRO 2 HD2 PRO 2 -17.842 -17.273 -21.089 18 HD3 PRO 2 HD1 PRO 2 -18.751 -18.306 -22.213 19 H LYS 3 HN LYS 3 -17.502 -13.825 -25.471 20 HA LYS 3 HA LYS 3 -15.797 -12.405 -23.548 21 HB2 LYS 3 HB2 LYS 3 -16.301 -11.553 -26.389 22 HB3 LYS 3 HB1 LYS 3 -14.893 -11.240 -25.375 23 HG2 LYS 3 HG2 LYS 3 -14.334 -13.654 -25.422 24 HG3 LYS 3 HG1 LYS 3 -15.722 -13.944 -26.472 25 HD2 LYS 3 HD2 LYS 3 -14.737 -12.324 -28.118 26 HD3 LYS 3 HD1 LYS 3 -13.300 -12.230 -27.098 27 HE2 LYS 3 HE2 LYS 3 -12.622 -14.375 -27.614 28 HE3 LYS 3 HE1 LYS 3 -14.269 -14.943 -27.886 29 HZ1 LYS 3 HZ1 LYS 3 -12.811 -14.659 -29.914 30 HZ2 LYS 3 HZ2 LYS 3 -12.967 -12.984 -29.679 31 HZ3 LYS 3 HZ3 LYS 3 -14.342 -13.934 -29.978 32 H HIS 4 HN HIS 4 -16.224 -10.325 -22.828 33 HA HIS 4 HA HIS 4 -18.964 -9.351 -23.370 34 HB2 HIS 4 HB2 HIS 4 -17.603 -9.847 -20.925 35 HB3 HIS 4 HB1 HIS 4 -17.792 -8.099 -21.070 36 HD1 HIS 4 HD1 HIS 4 -20.229 -7.161 -21.201 37 HD2 HIS 4 HD2 HIS 4 -20.029 -11.285 -20.624 38 HE1 HIS 4 HE1 HIS 4 -22.562 -7.907 -20.552 39 H GLU 5 HN GLU 5 -19.241 -7.344 -24.185 40 HA GLU 5 HA GLU 5 -16.818 -5.673 -24.494 41 HB2 GLU 5 HB2 GLU 5 -19.151 -6.069 -26.378 42 HB3 GLU 5 HB1 GLU 5 -17.946 -4.796 -26.569 43 HG2 GLU 5 HG2 GLU 5 -16.285 -6.264 -27.172 44 HG3 GLU 5 HG1 GLU 5 -16.923 -7.562 -26.165 45 H PHE 6 HN PHE 6 -16.896 -3.703 -23.652 46 HA PHE 6 HA PHE 6 -19.532 -2.506 -23.057 47 HB2 PHE 6 HB2 PHE 6 -17.391 -3.240 -21.216 48 HB3 PHE 6 HB1 PHE 6 -17.793 -1.526 -21.113 49 HD1 PHE 6 HD1 PHE 6 -19.808 -4.632 -21.757 50 HD2 PHE 6 HD2 PHE 6 -19.258 -1.116 -19.351 51 HE1 PHE 6 HE1 PHE 6 -21.855 -5.190 -20.477 52 HE2 PHE 6 HE2 PHE 6 -21.306 -1.675 -18.069 53 HZ PHE 6 HZ PHE 6 -22.605 -3.713 -18.631 54 H SER 7 HN SER 7 -19.717 -0.344 -23.499 55 HA SER 7 HA SER 7 -17.345 0.947 -24.701 56 HB2 SER 7 HB2 SER 7 -18.950 0.888 -26.393 57 HB3 SER 7 HB1 SER 7 -20.286 1.137 -25.272 58 HG SER 7 HG SER 7 -18.464 3.164 -25.217 59 H VAL 8 HN VAL 8 -16.396 2.280 -23.300 60 HA VAL 8 HA VAL 8 -18.122 4.090 -21.727 61 HB VAL 8 HB VAL 8 -17.158 2.261 -20.316 62 HG11 VAL 8 HG11 VAL 8 -14.480 3.574 -20.635 63 HG12 VAL 8 HG12 VAL 8 -14.982 2.369 -21.820 64 HG13 VAL 8 HG13 VAL 8 -14.864 1.933 -20.117 65 HG21 VAL 8 HG21 VAL 8 -16.894 5.147 -19.946 66 HG22 VAL 8 HG22 VAL 8 -15.715 4.250 -18.989 67 HG23 VAL 8 HG23 VAL 8 -17.438 3.921 -18.803 68 H ASP 9 HN ASP 9 -17.648 6.184 -21.952 69 HA ASP 9 HA ASP 9 -15.425 6.994 -23.612 70 HB2 ASP 9 HB2 ASP 9 -17.893 8.059 -23.106 71 HB3 ASP 9 HB1 ASP 9 -16.864 9.069 -22.092 72 H MET 10 HN MET 10 -13.420 7.097 -22.796 73 HA MET 10 HA MET 10 -12.877 7.173 -20.004 74 HB2 MET 10 HB2 MET 10 -10.496 7.713 -20.891 75 HB3 MET 10 HB1 MET 10 -11.206 6.142 -21.272 76 HG2 MET 10 HG2 MET 10 -11.264 6.599 -23.485 77 HG3 MET 10 HG1 MET 10 -11.947 8.201 -23.212 78 HE1 MET 10 HE1 MET 10 -10.970 8.692 -25.136 79 HE2 MET 10 HE2 MET 10 -9.295 8.465 -25.628 80 HE3 MET 10 HE3 MET 10 -9.790 9.988 -24.895 81 H THR 11 HN THR 11 -13.103 8.865 -18.721 82 HA THR 11 HA THR 11 -12.625 11.568 -19.816 83 HB THR 11 HB THR 11 -14.820 11.624 -19.028 84 HG1 THR 11 HG1 THR 11 -14.447 13.185 -17.702 85 HG21 THR 11 HG21 THR 11 -15.042 10.580 -16.515 86 HG22 THR 11 HG22 THR 11 -13.834 9.507 -17.223 87 HG23 THR 11 HG23 THR 11 -15.411 9.690 -17.991 88 H CYS 12 HN CYS 12 -12.044 9.394 -17.095 89 HA CYS 12 HA CYS 12 -9.984 11.229 -16.063 90 HB2 CYS 12 HB2 CYS 12 -11.754 9.200 -14.834 91 HB3 CYS 12 HB1 CYS 12 -10.119 9.311 -14.183 92 HG CYS 12 HG CYS 12 -11.976 11.083 -13.132 93 H GLY 13 HN GLY 13 -9.489 9.764 -18.446 94 HA2 GLY 13 HA2 GLY 13 -8.319 7.452 -18.699 95 HA3 GLY 13 HA1 GLY 13 -7.389 8.880 -19.144 96 H GLY 14 HN GLY 14 -6.774 9.996 -16.743 97 HA2 GLY 14 HA2 GLY 14 -4.608 8.409 -15.832 98 HA3 GLY 14 HA1 GLY 14 -5.192 9.888 -15.073 99 H CYS 15 HN CYS 15 -7.677 9.326 -14.239 100 HA CYS 15 HA CYS 15 -7.206 7.413 -12.098 101 HB2 CYS 15 HB2 CYS 15 -9.869 8.547 -12.128 102 HB3 CYS 15 HB1 CYS 15 -8.589 8.728 -10.927 103 HG CYS 15 HG CYS 15 -7.704 10.791 -12.163 104 H ALA 16 HN ALA 16 -9.523 7.859 -14.774 105 HA ALA 16 HA ALA 16 -11.174 5.664 -14.265 106 HB1 ALA 16 HB1 ALA 16 -10.313 6.759 -16.956 107 HB2 ALA 16 HB2 ALA 16 -11.668 7.346 -15.990 108 HB3 ALA 16 HB3 ALA 16 -11.708 5.719 -16.668 109 H GLU 17 HN GLU 17 -7.991 5.793 -15.782 110 HA GLU 17 HA GLU 17 -8.039 3.096 -16.738 111 HB2 GLU 17 HB2 GLU 17 -6.533 4.806 -17.689 112 HB3 GLU 17 HB1 GLU 17 -5.665 4.883 -16.154 113 HG2 GLU 17 HG2 GLU 17 -6.015 2.173 -17.314 114 HG3 GLU 17 HG1 GLU 17 -4.931 3.253 -18.189 115 H ALA 18 HN ALA 18 -6.845 4.678 -13.806 116 HA ALA 18 HA ALA 18 -5.611 2.355 -12.702 117 HB1 ALA 18 HB1 ALA 18 -6.185 5.102 -11.859 118 HB2 ALA 18 HB2 ALA 18 -4.806 4.072 -11.476 119 HB3 ALA 18 HB3 ALA 18 -6.296 3.932 -10.543 120 H VAL 19 HN VAL 19 -8.827 3.739 -12.584 121 HA VAL 19 HA VAL 19 -9.916 2.240 -10.475 122 HB VAL 19 HB VAL 19 -11.129 3.480 -12.940 123 HG11 VAL 19 HG11 VAL 19 -13.332 3.059 -11.764 124 HG12 VAL 19 HG12 VAL 19 -12.470 1.949 -10.699 125 HG13 VAL 19 HG13 VAL 19 -12.563 1.619 -12.430 126 HG21 VAL 19 HG21 VAL 19 -12.202 4.603 -10.640 127 HG22 VAL 19 HG22 VAL 19 -10.888 5.289 -11.596 128 HG23 VAL 19 HG23 VAL 19 -10.526 4.296 -10.187 129 H SER 20 HN SER 20 -9.468 1.478 -13.885 130 HA SER 20 HA SER 20 -11.065 -0.802 -14.077 131 HB2 SER 20 HB2 SER 20 -10.058 0.194 -16.041 132 HB3 SER 20 HB1 SER 20 -8.442 -0.170 -15.444 133 HG SER 20 HG SER 20 -10.062 -2.357 -15.471 134 H ARG 21 HN ARG 21 -7.834 -0.428 -12.703 135 HA ARG 21 HA ARG 21 -7.057 -3.108 -12.577 136 HB2 ARG 21 HB2 ARG 21 -6.420 -0.659 -11.000 137 HB3 ARG 21 HB1 ARG 21 -5.948 -2.218 -10.323 138 HG2 ARG 21 HG2 ARG 21 -4.788 -2.771 -12.446 139 HG3 ARG 21 HG1 ARG 21 -5.215 -1.178 -13.077 140 HD2 ARG 21 HD2 ARG 21 -3.949 -0.094 -11.293 141 HD3 ARG 21 HD1 ARG 21 -3.589 -1.655 -10.562 142 HE ARG 21 HE ARG 21 -2.248 -0.472 -12.815 143 HH11 ARG 21 HH21 ARG 21 -3.229 -3.427 -11.306 144 HH12 ARG 21 HH22 ARG 21 -1.964 -4.372 -12.018 145 HH21 ARG 21 HH11 ARG 21 -0.587 -1.703 -13.752 146 HH22 ARG 21 HH12 ARG 21 -0.467 -3.396 -13.403 147 H VAL 22 HN VAL 22 -9.082 -1.225 -10.352 148 HA VAL 22 HA VAL 22 -9.379 -3.147 -8.330 149 HB VAL 22 HB VAL 22 -11.184 -1.857 -7.537 150 HG11 VAL 22 HG11 VAL 22 -10.165 0.453 -8.977 151 HG12 VAL 22 HG12 VAL 22 -8.854 -0.611 -8.471 152 HG13 VAL 22 HG13 VAL 22 -9.980 0.030 -7.274 153 HG21 VAL 22 HG21 VAL 22 -12.001 -0.092 -9.507 154 HG22 VAL 22 HG22 VAL 22 -12.867 -1.551 -9.028 155 HG23 VAL 22 HG23 VAL 22 -11.766 -1.591 -10.402 156 H LEU 23 HN LEU 23 -10.552 -3.101 -11.534 157 HA LEU 23 HA LEU 23 -12.949 -4.526 -11.355 158 HB2 LEU 23 HB2 LEU 23 -12.055 -3.451 -13.425 159 HB3 LEU 23 HB1 LEU 23 -10.879 -4.759 -13.550 160 HG LEU 23 HG LEU 23 -13.652 -5.672 -13.161 161 HD11 LEU 23 HD11 LEU 23 -14.451 -4.073 -14.626 162 HD12 LEU 23 HD12 LEU 23 -13.884 -5.266 -15.794 163 HD13 LEU 23 HD13 LEU 23 -12.888 -3.861 -15.413 164 HD21 LEU 23 HD21 LEU 23 -12.938 -7.420 -14.516 165 HD22 LEU 23 HD22 LEU 23 -11.398 -6.896 -13.837 166 HD23 LEU 23 HD23 LEU 23 -11.864 -6.387 -15.460 167 H ASN 24 HN ASN 24 -9.619 -5.670 -11.199 168 HA ASN 24 HA ASN 24 -9.977 -8.377 -11.698 169 HB2 ASN 24 HB2 ASN 24 -8.137 -6.928 -9.796 170 HB3 ASN 24 HB1 ASN 24 -8.074 -8.675 -10.012 171 HD21 ASN 24 HD21 ASN 24 -7.881 -9.373 -12.442 172 HD22 ASN 24 HD22 ASN 24 -6.874 -8.416 -13.417 173 H LYS 25 HN LYS 25 -10.811 -6.499 -8.841 174 HA LYS 25 HA LYS 25 -11.287 -8.710 -7.106 175 HB2 LYS 25 HB2 LYS 25 -12.612 -6.000 -6.950 176 HB3 LYS 25 HB1 LYS 25 -12.299 -7.127 -5.632 177 HG2 LYS 25 HG2 LYS 25 -9.817 -6.880 -6.208 178 HG3 LYS 25 HG1 LYS 25 -10.292 -5.505 -7.204 179 HD2 LYS 25 HD2 LYS 25 -11.429 -4.527 -5.180 180 HD3 LYS 25 HD1 LYS 25 -10.724 -5.829 -4.223 181 HE2 LYS 25 HE2 LYS 25 -9.208 -3.749 -5.825 182 HE3 LYS 25 HE1 LYS 25 -9.289 -3.865 -4.067 183 HZ1 LYS 25 HZ1 LYS 25 -8.317 -6.141 -4.321 184 HZ2 LYS 25 HZ2 LYS 25 -7.273 -4.865 -4.732 185 HZ3 LYS 25 HZ3 LYS 25 -8.031 -5.775 -5.951 186 H LEU 26 HN LEU 26 -13.416 -6.751 -9.182 187 HA LEU 26 HA LEU 26 -15.755 -8.304 -8.503 188 HB2 LEU 26 HB2 LEU 26 -15.354 -5.773 -9.448 189 HB3 LEU 26 HB1 LEU 26 -15.825 -6.623 -10.919 190 HG LEU 26 HG LEU 26 -17.836 -5.805 -9.891 191 HD11 LEU 26 HD11 LEU 26 -19.048 -7.768 -9.946 192 HD12 LEU 26 HD12 LEU 26 -17.896 -8.631 -8.927 193 HD13 LEU 26 HD13 LEU 26 -17.531 -8.352 -10.630 194 HD21 LEU 26 HD21 LEU 26 -16.393 -6.435 -7.462 195 HD22 LEU 26 HD22 LEU 26 -17.993 -7.175 -7.425 196 HD23 LEU 26 HD23 LEU 26 -17.831 -5.436 -7.666 197 H GLY 27 HN GLY 27 -13.556 -8.023 -11.270 198 HA2 GLY 27 HA2 GLY 27 -14.968 -10.217 -12.625 199 HA3 GLY 27 HA1 GLY 27 -13.794 -9.135 -13.365 200 H GLY 28 HN GLY 28 -11.525 -9.300 -12.386 201 HA2 GLY 28 HA2 GLY 28 -9.654 -10.557 -11.881 202 HA3 GLY 28 HA1 GLY 28 -10.725 -11.742 -11.135 203 H VAL 29 HN VAL 29 -11.137 -10.655 -14.418 204 HA VAL 29 HA VAL 29 -10.163 -13.266 -15.417 205 HB VAL 29 HB VAL 29 -12.283 -12.018 -16.994 206 HG11 VAL 29 HG11 VAL 29 -12.943 -14.242 -17.283 207 HG12 VAL 29 HG12 VAL 29 -12.367 -14.724 -15.688 208 HG13 VAL 29 HG13 VAL 29 -11.214 -14.421 -16.988 209 HG21 VAL 29 HG21 VAL 29 -12.720 -12.743 -14.096 210 HG22 VAL 29 HG22 VAL 29 -14.026 -12.868 -15.276 211 HG23 VAL 29 HG23 VAL 29 -13.268 -11.308 -14.961 212 H LYS 30 HN LYS 30 -10.253 -13.017 -17.998 213 HA LYS 30 HA LYS 30 -8.081 -11.366 -18.682 214 HB2 LYS 30 HB2 LYS 30 -8.997 -13.481 -19.866 215 HB3 LYS 30 HB1 LYS 30 -10.079 -12.363 -20.699 216 HG2 LYS 30 HG2 LYS 30 -8.323 -12.235 -22.167 217 HG3 LYS 30 HG1 LYS 30 -7.749 -11.034 -21.009 218 HD2 LYS 30 HD2 LYS 30 -6.641 -13.029 -19.789 219 HD3 LYS 30 HD1 LYS 30 -6.907 -13.917 -21.290 220 HE2 LYS 30 HE2 LYS 30 -4.789 -13.037 -21.678 221 HE3 LYS 30 HE1 LYS 30 -5.804 -11.781 -22.386 222 HZ1 LYS 30 HZ1 LYS 30 -3.934 -11.321 -20.541 223 HZ2 LYS 30 HZ2 LYS 30 -5.298 -11.516 -19.546 224 HZ3 LYS 30 HZ3 LYS 30 -5.294 -10.335 -20.768 225 H TYR 31 HN TYR 31 -7.948 -9.318 -19.325 226 HA TYR 31 HA TYR 31 -10.334 -7.936 -20.322 227 HB2 TYR 31 HB2 TYR 31 -10.173 -6.129 -18.783 228 HB3 TYR 31 HB1 TYR 31 -10.115 -7.598 -17.809 229 HD1 TYR 31 HD2 TYR 31 -7.780 -8.544 -17.217 230 HD2 TYR 31 HD1 TYR 31 -8.438 -4.548 -18.650 231 HE1 TYR 31 HE2 TYR 31 -5.578 -7.854 -16.305 232 HE2 TYR 31 HE1 TYR 31 -6.236 -3.859 -17.737 233 HH TYR 31 HH TYR 31 -4.032 -6.223 -16.276 234 H ASP 32 HN ASP 32 -9.876 -6.033 -21.521 235 HA ASP 32 HA ASP 32 -7.067 -5.434 -22.096 236 HB2 ASP 32 HB2 ASP 32 -8.773 -6.989 -23.837 237 HB3 ASP 32 HB1 ASP 32 -8.309 -5.479 -24.620 238 H ILE 33 HN ILE 33 -6.780 -3.287 -22.292 239 HA ILE 33 HA ILE 33 -9.176 -1.618 -22.713 240 HB ILE 33 HB ILE 33 -7.621 0.158 -21.659 241 HG12 ILE 33 HG12 ILE 33 -6.270 -2.363 -20.662 242 HG13 ILE 33 HG11 ILE 33 -5.580 -1.299 -21.887 243 HG21 ILE 33 HG21 ILE 33 -9.613 -1.141 -20.622 244 HG22 ILE 33 HG22 ILE 33 -8.480 -0.358 -19.523 245 HG23 ILE 33 HG23 ILE 33 -8.375 -2.095 -19.806 246 HD11 ILE 33 HD11 ILE 33 -4.709 -0.778 -19.622 247 HD12 ILE 33 HD12 ILE 33 -6.355 -0.447 -19.081 248 HD13 ILE 33 HD13 ILE 33 -5.606 0.577 -20.307 249 H ASP 34 HN ASP 34 -9.313 -0.678 -24.645 250 HA ASP 34 HA ASP 34 -6.804 -0.068 -26.093 251 HB2 ASP 34 HB2 ASP 34 -9.551 -0.679 -27.209 252 HB3 ASP 34 HB1 ASP 34 -8.134 -0.253 -28.166 253 H LEU 35 HN LEU 35 -6.444 2.027 -25.524 254 HA LEU 35 HA LEU 35 -8.407 3.998 -25.106 255 HB2 LEU 35 HB2 LEU 35 -5.669 3.855 -24.831 256 HB3 LEU 35 HB1 LEU 35 -5.865 5.012 -26.148 257 HG LEU 35 HG LEU 35 -7.583 6.199 -24.705 258 HD11 LEU 35 HD11 LEU 35 -8.274 5.067 -22.879 259 HD12 LEU 35 HD12 LEU 35 -6.707 5.439 -22.161 260 HD13 LEU 35 HD13 LEU 35 -6.946 3.914 -23.013 261 HD21 LEU 35 HD21 LEU 35 -5.925 7.557 -23.886 262 HD22 LEU 35 HD22 LEU 35 -4.895 6.514 -24.866 263 HD23 LEU 35 HD23 LEU 35 -5.060 6.216 -23.136 264 HA PRO 36 HA PRO 36 -7.238 5.248 -29.749 265 HB2 PRO 36 HB2 PRO 36 -7.154 2.451 -30.771 266 HB3 PRO 36 HB1 PRO 36 -6.176 3.854 -31.238 267 HG2 PRO 36 HG2 PRO 36 -5.185 1.891 -29.729 268 HG3 PRO 36 HG1 PRO 36 -4.711 3.582 -29.499 269 HD2 PRO 36 HD2 PRO 36 -6.507 1.887 -27.822 270 HD3 PRO 36 HD1 PRO 36 -5.439 3.224 -27.340 271 H ASN 37 HN ASN 37 -9.210 2.538 -28.694 272 HA ASN 37 HA ASN 37 -11.294 3.259 -30.649 273 HB2 ASN 37 HB2 ASN 37 -10.611 0.772 -29.138 274 HB3 ASN 37 HB1 ASN 37 -12.282 1.038 -29.624 275 HD21 ASN 37 HD21 ASN 37 -11.850 2.344 -32.128 276 HD22 ASN 37 HD22 ASN 37 -11.109 1.244 -33.187 277 H LYS 38 HN LYS 38 -10.417 3.904 -27.518 278 HA LYS 38 HA LYS 38 -11.521 4.685 -25.655 279 HB2 LYS 38 HB2 LYS 38 -13.895 5.379 -27.327 280 HB3 LYS 38 HB1 LYS 38 -13.081 6.328 -26.083 281 HG2 LYS 38 HG2 LYS 38 -11.132 6.594 -27.634 282 HG3 LYS 38 HG1 LYS 38 -12.067 5.772 -28.886 283 HD2 LYS 38 HD2 LYS 38 -13.739 7.498 -28.887 284 HD3 LYS 38 HD1 LYS 38 -13.052 8.244 -27.444 285 HE2 LYS 38 HE2 LYS 38 -10.903 8.543 -28.823 286 HE3 LYS 38 HE1 LYS 38 -11.895 8.162 -30.232 287 HZ1 LYS 38 HZ1 LYS 38 -11.970 10.502 -28.480 288 HZ2 LYS 38 HZ2 LYS 38 -13.442 9.962 -29.136 289 HZ3 LYS 38 HZ3 LYS 38 -12.160 10.404 -30.162 290 H LYS 39 HN LYS 39 -11.844 1.919 -26.236 291 HA LYS 39 HA LYS 39 -14.443 1.465 -24.933 292 HB2 LYS 39 HB2 LYS 39 -13.427 0.203 -27.460 293 HB3 LYS 39 HB1 LYS 39 -14.508 -0.692 -26.392 294 HG2 LYS 39 HG2 LYS 39 -16.299 0.662 -26.840 295 HG3 LYS 39 HG1 LYS 39 -15.296 2.104 -27.011 296 HD2 LYS 39 HD2 LYS 39 -16.216 1.513 -29.190 297 HD3 LYS 39 HD1 LYS 39 -14.476 1.223 -29.200 298 HE2 LYS 39 HE2 LYS 39 -14.921 -0.888 -29.858 299 HE3 LYS 39 HE1 LYS 39 -15.601 -1.169 -28.255 300 HZ1 LYS 39 HZ1 LYS 39 -16.957 -0.607 -30.780 301 HZ2 LYS 39 HZ2 LYS 39 -17.650 0.032 -29.366 302 HZ3 LYS 39 HZ3 LYS 39 -17.407 -1.643 -29.514 303 H VAL 40 HN VAL 40 -14.560 -0.832 -24.083 304 HA VAL 40 HA VAL 40 -11.912 -1.858 -23.300 305 HB VAL 40 HB VAL 40 -14.217 -1.455 -21.381 306 HG11 VAL 40 HG11 VAL 40 -13.078 -2.868 -20.053 307 HG12 VAL 40 HG12 VAL 40 -11.667 -1.816 -20.142 308 HG13 VAL 40 HG13 VAL 40 -11.881 -3.106 -21.325 309 HG21 VAL 40 HG21 VAL 40 -12.816 0.313 -20.394 310 HG22 VAL 40 HG22 VAL 40 -13.181 0.689 -22.079 311 HG23 VAL 40 HG23 VAL 40 -11.595 0.054 -21.639 312 H CYS 41 HN CYS 41 -11.798 -3.942 -23.831 313 HA CYS 41 HA CYS 41 -14.312 -5.484 -24.007 314 HB2 CYS 41 HB2 CYS 41 -12.627 -5.141 -26.006 315 HB3 CYS 41 HB1 CYS 41 -11.741 -6.437 -25.202 316 HG CYS 41 HG CYS 41 -14.682 -7.142 -25.532 317 H ILE 42 HN ILE 42 -14.662 -6.709 -22.285 318 HA ILE 42 HA ILE 42 -12.374 -8.128 -21.081 319 HB ILE 42 HB ILE 42 -12.777 -6.847 -19.270 320 HG12 ILE 42 HG12 ILE 42 -15.336 -8.467 -19.079 321 HG13 ILE 42 HG11 ILE 42 -13.743 -9.092 -18.658 322 HG21 ILE 42 HG21 ILE 42 -15.029 -5.689 -18.940 323 HG22 ILE 42 HG22 ILE 42 -15.468 -6.320 -20.527 324 HG23 ILE 42 HG23 ILE 42 -14.108 -5.209 -20.365 325 HD11 ILE 42 HD11 ILE 42 -15.091 -6.696 -17.381 326 HD12 ILE 42 HD12 ILE 42 -13.496 -7.320 -16.959 327 HD13 ILE 42 HD13 ILE 42 -14.935 -8.297 -16.654 328 H GLU 43 HN GLU 43 -12.634 -10.257 -20.666 329 HA GLU 43 HA GLU 43 -15.247 -11.446 -21.384 330 HB2 GLU 43 HB2 GLU 43 -13.726 -12.473 -22.817 331 HB3 GLU 43 HB1 GLU 43 -12.407 -12.374 -21.649 332 HG2 GLU 43 HG2 GLU 43 -13.186 -14.212 -20.418 333 HG3 GLU 43 HG1 GLU 43 -14.818 -14.078 -21.071 334 H SER 44 HN SER 44 -16.412 -11.952 -19.627 335 HA SER 44 HA SER 44 -14.964 -12.977 -17.264 336 HB2 SER 44 HB2 SER 44 -17.430 -11.672 -16.536 337 HB3 SER 44 HB1 SER 44 -15.793 -11.350 -15.975 338 HG SER 44 HG SER 44 -15.599 -10.293 -18.162 339 H GLU 45 HN GLU 45 -16.348 -14.189 -15.767 340 HA GLU 45 HA GLU 45 -17.790 -16.228 -17.155 341 HB2 GLU 45 HB2 GLU 45 -17.624 -15.738 -14.176 342 HB3 GLU 45 HB1 GLU 45 -17.989 -17.258 -14.991 343 HG2 GLU 45 HG2 GLU 45 -15.446 -15.982 -15.802 344 HG3 GLU 45 HG1 GLU 45 -15.497 -16.563 -14.139 345 H HIS 46 HN HIS 46 -18.651 -13.454 -15.144 346 HA HIS 46 HA HIS 46 -21.503 -14.069 -15.625 347 HB2 HIS 46 HB2 HIS 46 -20.255 -12.468 -13.383 348 HB3 HIS 46 HB1 HIS 46 -21.983 -12.743 -13.608 349 HD1 HIS 46 HD1 HIS 46 -18.776 -14.640 -12.898 350 HD2 HIS 46 HD2 HIS 46 -22.899 -15.220 -12.681 351 HE1 HIS 46 HE1 HIS 46 -19.129 -16.846 -11.704 352 H SER 47 HN SER 47 -19.234 -11.364 -15.211 353 HA SER 47 HA SER 47 -19.194 -9.258 -16.127 354 HB2 SER 47 HB2 SER 47 -20.147 -11.042 -18.233 355 HB3 SER 47 HB1 SER 47 -20.709 -9.387 -18.439 356 HG SER 47 HG SER 47 -18.621 -8.685 -18.438 357 H MET 48 HN MET 48 -20.798 -7.555 -17.210 358 HA MET 48 HA MET 48 -22.662 -6.242 -16.961 359 HB2 MET 48 HB2 MET 48 -23.667 -8.847 -17.137 360 HB3 MET 48 HB1 MET 48 -24.452 -8.159 -15.715 361 HG2 MET 48 HG2 MET 48 -25.163 -6.209 -17.025 362 HG3 MET 48 HG1 MET 48 -24.346 -6.853 -18.449 363 HE1 MET 48 HE1 MET 48 -28.481 -7.635 -16.975 364 HE2 MET 48 HE2 MET 48 -27.583 -6.151 -17.285 365 HE3 MET 48 HE3 MET 48 -27.164 -7.152 -15.897 366 H ASP 49 HN ASP 49 -20.698 -6.792 -14.821 367 HA ASP 49 HA ASP 49 -22.071 -5.388 -12.697 368 HB2 ASP 49 HB2 ASP 49 -20.830 -8.083 -12.096 369 HB3 ASP 49 HB1 ASP 49 -21.639 -7.009 -10.955 370 H THR 50 HN THR 50 -19.206 -7.028 -13.894 371 HA THR 50 HA THR 50 -17.385 -5.611 -12.163 372 HB THR 50 HB THR 50 -16.462 -7.640 -12.759 373 HG1 THR 50 HG1 THR 50 -15.372 -6.769 -15.039 374 HG21 THR 50 HG21 THR 50 -17.883 -7.205 -15.378 375 HG22 THR 50 HG22 THR 50 -18.052 -8.540 -14.235 376 HG23 THR 50 HG23 THR 50 -16.610 -8.416 -15.241 377 H LEU 51 HN LEU 51 -18.408 -5.419 -15.546 378 HA LEU 51 HA LEU 51 -16.590 -3.414 -16.355 379 HB2 LEU 51 HB2 LEU 51 -19.312 -3.700 -17.573 380 HB3 LEU 51 HB1 LEU 51 -17.766 -3.377 -18.355 381 HG LEU 51 HG LEU 51 -17.266 -5.801 -17.194 382 HD11 LEU 51 HD11 LEU 51 -19.854 -5.675 -16.650 383 HD12 LEU 51 HD12 LEU 51 -19.130 -7.191 -17.189 384 HD13 LEU 51 HD13 LEU 51 -20.015 -6.181 -18.332 385 HD21 LEU 51 HD21 LEU 51 -17.327 -6.681 -19.404 386 HD22 LEU 51 HD22 LEU 51 -16.985 -4.965 -19.617 387 HD23 LEU 51 HD23 LEU 51 -18.615 -5.580 -19.892 388 H LEU 52 HN LEU 52 -20.028 -3.143 -15.421 389 HA LEU 52 HA LEU 52 -20.142 -0.332 -15.672 390 HB2 LEU 52 HB2 LEU 52 -22.160 -0.730 -14.015 391 HB3 LEU 52 HB1 LEU 52 -22.245 -1.260 -15.693 392 HG LEU 52 HG LEU 52 -21.074 -3.133 -13.671 393 HD11 LEU 52 HD11 LEU 52 -23.906 -2.208 -13.780 394 HD12 LEU 52 HD12 LEU 52 -22.969 -2.804 -12.409 395 HD13 LEU 52 HD13 LEU 52 -23.632 -3.939 -13.585 396 HD21 LEU 52 HD21 LEU 52 -23.023 -4.155 -15.580 397 HD22 LEU 52 HD22 LEU 52 -21.337 -4.613 -15.357 398 HD23 LEU 52 HD23 LEU 52 -21.748 -3.246 -16.391 399 H ALA 53 HN ALA 53 -19.744 -2.381 -12.773 400 HA ALA 53 HA ALA 53 -19.735 -0.347 -10.869 401 HB1 ALA 53 HB1 ALA 53 -19.770 -2.821 -10.423 402 HB2 ALA 53 HB2 ALA 53 -18.658 -1.912 -9.399 403 HB3 ALA 53 HB3 ALA 53 -18.039 -2.846 -10.761 404 H THR 54 HN THR 54 -16.980 -1.738 -12.639 405 HA THR 54 HA THR 54 -15.029 -0.073 -11.416 406 HB THR 54 HB THR 54 -13.624 -0.842 -13.376 407 HG1 THR 54 HG1 THR 54 -14.553 -2.332 -14.734 408 HG21 THR 54 HG21 THR 54 -13.158 -2.419 -11.849 409 HG22 THR 54 HG22 THR 54 -14.450 -3.401 -12.535 410 HG23 THR 54 HG23 THR 54 -14.787 -2.320 -11.184 411 H LEU 55 HN LEU 55 -16.598 0.052 -14.614 412 HA LEU 55 HA LEU 55 -15.287 2.384 -15.500 413 HB2 LEU 55 HB2 LEU 55 -17.753 0.900 -16.305 414 HB3 LEU 55 HB1 LEU 55 -17.473 2.507 -16.971 415 HG LEU 55 HG LEU 55 -15.431 1.859 -17.985 416 HD11 LEU 55 HD11 LEU 55 -15.573 -0.443 -16.053 417 HD12 LEU 55 HD12 LEU 55 -14.240 0.671 -16.354 418 HD13 LEU 55 HD13 LEU 55 -14.617 -0.590 -17.526 419 HD21 LEU 55 HD21 LEU 55 -16.908 -0.733 -18.294 420 HD22 LEU 55 HD22 LEU 55 -16.174 0.286 -19.530 421 HD23 LEU 55 HD23 LEU 55 -17.705 0.757 -18.796 422 H LYS 56 HN LYS 56 -18.427 1.952 -13.876 423 HA LYS 56 HA LYS 56 -19.086 4.733 -13.961 424 HB2 LYS 56 HB2 LYS 56 -21.060 4.132 -12.990 425 HB3 LYS 56 HB1 LYS 56 -20.564 2.538 -13.553 426 HG2 LYS 56 HG2 LYS 56 -19.352 2.366 -11.248 427 HG3 LYS 56 HG1 LYS 56 -20.423 3.682 -10.771 428 HD2 LYS 56 HD2 LYS 56 -21.453 1.142 -12.050 429 HD3 LYS 56 HD1 LYS 56 -21.279 1.318 -10.303 430 HE2 LYS 56 HE2 LYS 56 -22.799 3.355 -11.930 431 HE3 LYS 56 HE1 LYS 56 -23.582 1.890 -11.339 432 HZ1 LYS 56 HZ1 LYS 56 -23.649 3.974 -9.883 433 HZ2 LYS 56 HZ2 LYS 56 -22.028 3.619 -9.520 434 HZ3 LYS 56 HZ3 LYS 56 -23.252 2.501 -9.144 435 H LYS 57 HN LYS 57 -16.913 2.973 -12.020 436 HA LYS 57 HA LYS 57 -17.195 4.274 -9.540 437 HB2 LYS 57 HB2 LYS 57 -15.355 2.450 -10.736 438 HB3 LYS 57 HB1 LYS 57 -14.431 3.757 -9.996 439 HG2 LYS 57 HG2 LYS 57 -15.737 3.447 -7.895 440 HG3 LYS 57 HG1 LYS 57 -16.560 2.078 -8.641 441 HD2 LYS 57 HD2 LYS 57 -14.764 0.703 -8.398 442 HD3 LYS 57 HD1 LYS 57 -13.615 1.976 -8.811 443 HE2 LYS 57 HE2 LYS 57 -15.049 1.726 -6.150 444 HE3 LYS 57 HE1 LYS 57 -13.377 1.249 -6.447 445 HZ1 LYS 57 HZ1 LYS 57 -13.178 3.664 -7.325 446 HZ2 LYS 57 HZ2 LYS 57 -13.130 3.371 -5.652 447 HZ3 LYS 57 HZ3 LYS 57 -14.558 3.940 -6.376 448 H THR 58 HN THR 58 -15.278 5.146 -12.409 449 HA THR 58 HA THR 58 -14.292 7.556 -11.127 450 HB THR 58 HB THR 58 -13.920 7.469 -13.999 451 HG1 THR 58 HG1 THR 58 -14.025 5.307 -13.945 452 HG21 THR 58 HG21 THR 58 -12.004 7.168 -11.672 453 HG22 THR 58 HG22 THR 58 -12.533 8.703 -12.355 454 HG23 THR 58 HG23 THR 58 -11.568 7.596 -13.327 455 H GLY 59 HN GLY 59 -17.194 6.720 -12.394 456 HA2 GLY 59 HA2 GLY 59 -19.043 8.084 -12.777 457 HA3 GLY 59 HA1 GLY 59 -17.979 9.487 -12.753 458 H ALA 60 HN ALA 60 -16.868 6.976 -14.759 459 HA ALA 60 HA ALA 60 -17.238 8.576 -17.126 460 HB1 ALA 60 HB1 ALA 60 -15.269 6.997 -16.565 461 HB2 ALA 60 HB2 ALA 60 -15.883 6.995 -18.219 462 HB3 ALA 60 HB3 ALA 60 -16.338 5.703 -17.107 463 H THR 61 HN THR 61 -18.644 8.266 -18.801 464 HA THR 61 HA THR 61 -21.117 7.010 -18.308 465 HB THR 61 HB THR 61 -19.893 7.789 -20.967 466 HG1 THR 61 HG1 THR 61 -20.032 9.531 -19.558 467 HG21 THR 61 HG21 THR 61 -22.213 6.332 -20.426 468 HG22 THR 61 HG22 THR 61 -21.838 7.179 -21.927 469 HG23 THR 61 HG23 THR 61 -22.782 7.983 -20.674 470 H VAL 62 HN VAL 62 -21.821 4.980 -18.604 471 HA VAL 62 HA VAL 62 -20.040 3.104 -20.041 472 HB VAL 62 HB VAL 62 -20.182 2.778 -17.541 473 HG11 VAL 62 HG11 VAL 62 -23.013 1.918 -18.211 474 HG12 VAL 62 HG12 VAL 62 -22.602 3.422 -17.386 475 HG13 VAL 62 HG13 VAL 62 -22.247 1.871 -16.624 476 HG21 VAL 62 HG21 VAL 62 -21.456 0.391 -18.801 477 HG22 VAL 62 HG22 VAL 62 -19.999 0.495 -17.812 478 HG23 VAL 62 HG23 VAL 62 -19.948 0.967 -19.511 479 H SER 63 HN SER 63 -20.911 1.939 -21.653 480 HA SER 63 HA SER 63 -23.856 1.977 -21.957 481 HB2 SER 63 HB2 SER 63 -21.714 2.308 -24.063 482 HB3 SER 63 HB1 SER 63 -23.399 1.963 -24.443 483 HG SER 63 HG SER 63 -23.676 3.888 -22.870 484 H TYR 64 HN TYR 64 -24.681 -0.003 -21.825 485 HA TYR 64 HA TYR 64 -22.997 -2.346 -22.154 486 HB2 TYR 64 HB2 TYR 64 -24.463 -2.712 -20.408 487 HB3 TYR 64 HB1 TYR 64 -25.767 -1.804 -21.171 488 HD1 TYR 64 HD1 TYR 64 -23.961 -5.032 -21.107 489 HD2 TYR 64 HD2 TYR 64 -27.271 -2.843 -22.757 490 HE1 TYR 64 HE1 TYR 64 -24.926 -7.144 -21.977 491 HE2 TYR 64 HE2 TYR 64 -28.233 -4.956 -23.628 492 HH TYR 64 HH TYR 64 -27.913 -7.138 -23.918 493 H LEU 65 HN LEU 65 -22.561 -2.998 -24.167 494 HA LEU 65 HA LEU 65 -24.454 -2.553 -26.331 495 HB2 LEU 65 HB2 LEU 65 -21.786 -3.971 -26.408 496 HB3 LEU 65 HB1 LEU 65 -22.697 -3.349 -27.783 497 HG LEU 65 HG LEU 65 -21.858 -1.518 -25.540 498 HD11 LEU 65 HD11 LEU 65 -20.225 -1.690 -28.038 499 HD12 LEU 65 HD12 LEU 65 -19.940 -2.903 -26.791 500 HD13 LEU 65 HD13 LEU 65 -19.744 -1.192 -26.418 501 HD21 LEU 65 HD21 LEU 65 -22.398 -1.088 -28.497 502 HD22 LEU 65 HD22 LEU 65 -22.059 0.172 -27.310 503 HD23 LEU 65 HD23 LEU 65 -23.549 -0.764 -27.200 504 H GLY 66 HN GLY 66 -22.955 -5.311 -24.663 505 HA2 GLY 66 HA2 GLY 66 -24.915 -7.056 -24.377 506 HA3 GLY 66 HA1 GLY 66 -24.689 -7.168 -26.119 507 H LEU 67 HN LEU 67 -24.254 -9.466 -25.353 508 HA LEU 67 HA LEU 67 -21.355 -9.758 -24.868 509 HB2 LEU 67 HB2 LEU 67 -22.155 -10.495 -22.824 510 HB3 LEU 67 HB1 LEU 67 -23.660 -11.103 -23.513 511 HG LEU 67 HG LEU 67 -21.138 -12.404 -24.430 512 HD11 LEU 67 HD11 LEU 67 -20.468 -12.678 -22.264 513 HD12 LEU 67 HD12 LEU 67 -21.707 -13.933 -22.263 514 HD13 LEU 67 HD13 LEU 67 -22.071 -12.333 -21.617 515 HD21 LEU 67 HD21 LEU 67 -23.676 -12.890 -24.996 516 HD22 LEU 67 HD22 LEU 67 -23.638 -13.759 -23.461 517 HD23 LEU 67 HD23 LEU 67 -22.551 -14.229 -24.769 518 H GLU 68 HN GLU 68 -20.315 -11.286 -26.088 519 HA GLU 68 HA GLU 68 -19.989 -12.390 -28.108 520 HB2 GLU 68 HB2 GLU 68 -20.517 -14.157 -26.425 521 HB3 GLU 68 HB1 GLU 68 -22.206 -14.079 -26.930 522 HG2 GLU 68 HG2 GLU 68 -21.808 -15.165 -28.894 523 HG3 GLU 68 HG1 GLU 68 -20.247 -14.382 -29.126 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -15.296 -19.595 -21.174 2 H2 MET 1 HT2 MET 1 -16.916 -19.245 -21.548 3 H3 MET 1 HT3 MET 1 -15.795 -17.984 -21.349 4 HA MET 1 HA MET 1 -14.534 -19.057 -23.278 5 HB2 MET 1 HB2 MET 1 -16.764 -20.814 -22.988 6 HB3 MET 1 HB1 MET 1 -16.950 -19.969 -24.524 7 HG2 MET 1 HG2 MET 1 -14.470 -20.532 -24.936 8 HG3 MET 1 HG1 MET 1 -14.633 -21.669 -23.598 9 HE1 MET 1 HE1 MET 1 -16.205 -23.308 -23.315 10 HE2 MET 1 HE2 MET 1 -15.165 -24.302 -24.332 11 HE3 MET 1 HE3 MET 1 -16.910 -24.333 -24.572 12 HA PRO 2 HA PRO 2 -18.095 -16.301 -25.196 13 HB2 PRO 2 HB2 PRO 2 -19.503 -15.449 -22.742 14 HB3 PRO 2 HB1 PRO 2 -20.169 -16.011 -24.284 15 HG2 PRO 2 HG2 PRO 2 -20.241 -17.497 -22.046 16 HG3 PRO 2 HG1 PRO 2 -20.114 -18.204 -23.665 17 HD2 PRO 2 HD2 PRO 2 -17.994 -17.880 -21.580 18 HD3 PRO 2 HD1 PRO 2 -18.209 -19.171 -22.783 19 H LYS 3 HN LYS 3 -18.129 -13.958 -25.319 20 HA LYS 3 HA LYS 3 -16.343 -12.621 -23.378 21 HB2 LYS 3 HB2 LYS 3 -15.228 -11.457 -25.135 22 HB3 LYS 3 HB1 LYS 3 -15.255 -13.153 -25.618 23 HG2 LYS 3 HG2 LYS 3 -17.293 -12.702 -26.978 24 HG3 LYS 3 HG1 LYS 3 -17.171 -10.995 -26.552 25 HD2 LYS 3 HD2 LYS 3 -15.940 -10.862 -28.466 26 HD3 LYS 3 HD1 LYS 3 -14.640 -11.475 -27.444 27 HE2 LYS 3 HE2 LYS 3 -15.472 -13.822 -28.067 28 HE3 LYS 3 HE1 LYS 3 -16.419 -13.030 -29.326 29 HZ1 LYS 3 HZ1 LYS 3 -13.690 -12.149 -29.235 30 HZ2 LYS 3 HZ2 LYS 3 -14.615 -12.679 -30.557 31 HZ3 LYS 3 HZ3 LYS 3 -13.834 -13.808 -29.555 32 H HIS 4 HN HIS 4 -16.862 -10.514 -22.832 33 HA HIS 4 HA HIS 4 -19.432 -9.526 -23.918 34 HB2 HIS 4 HB2 HIS 4 -19.127 -10.292 -21.385 35 HB3 HIS 4 HB1 HIS 4 -18.485 -8.656 -21.232 36 HD1 HIS 4 HD1 HIS 4 -21.312 -9.741 -23.521 37 HD2 HIS 4 HD2 HIS 4 -20.716 -7.378 -20.137 38 HE1 HIS 4 HE1 HIS 4 -23.499 -8.538 -23.094 39 H GLU 5 HN GLU 5 -19.562 -7.420 -24.547 40 HA GLU 5 HA GLU 5 -17.048 -5.866 -24.429 41 HB2 GLU 5 HB2 GLU 5 -19.210 -5.942 -26.541 42 HB3 GLU 5 HB1 GLU 5 -17.912 -4.748 -26.511 43 HG2 GLU 5 HG2 GLU 5 -16.419 -6.220 -27.342 44 HG3 GLU 5 HG1 GLU 5 -16.894 -7.460 -26.181 45 H PHE 6 HN PHE 6 -17.098 -3.941 -23.452 46 HA PHE 6 HA PHE 6 -19.733 -2.698 -22.946 47 HB2 PHE 6 HB2 PHE 6 -17.689 -3.562 -21.053 48 HB3 PHE 6 HB1 PHE 6 -18.061 -1.846 -20.884 49 HD1 PHE 6 HD1 PHE 6 -20.097 -4.881 -21.765 50 HD2 PHE 6 HD2 PHE 6 -19.605 -1.482 -19.187 51 HE1 PHE 6 HE1 PHE 6 -22.215 -5.453 -20.607 52 HE2 PHE 6 HE2 PHE 6 -21.721 -2.052 -18.030 53 HZ PHE 6 HZ PHE 6 -23.027 -4.038 -18.738 54 H SER 7 HN SER 7 -19.867 -0.518 -23.287 55 HA SER 7 HA SER 7 -17.451 0.770 -24.395 56 HB2 SER 7 HB2 SER 7 -20.119 2.000 -24.802 57 HB3 SER 7 HB1 SER 7 -18.767 1.842 -25.919 58 HG SER 7 HG SER 7 -19.775 -0.570 -25.198 59 H VAL 8 HN VAL 8 -16.471 2.138 -23.056 60 HA VAL 8 HA VAL 8 -18.148 3.840 -21.322 61 HB VAL 8 HB VAL 8 -17.233 2.206 -19.847 62 HG11 VAL 8 HG11 VAL 8 -15.440 1.052 -20.592 63 HG12 VAL 8 HG12 VAL 8 -14.453 2.407 -20.043 64 HG13 VAL 8 HG13 VAL 8 -15.001 2.337 -21.717 65 HG21 VAL 8 HG21 VAL 8 -15.896 3.572 -18.382 66 HG22 VAL 8 HG22 VAL 8 -17.026 4.650 -19.202 67 HG23 VAL 8 HG23 VAL 8 -15.345 4.572 -19.726 68 H ASP 9 HN ASP 9 -17.794 5.939 -21.628 69 HA ASP 9 HA ASP 9 -15.613 6.837 -23.299 70 HB2 ASP 9 HB2 ASP 9 -18.039 7.788 -23.139 71 HB3 ASP 9 HB1 ASP 9 -17.417 8.669 -21.745 72 H MET 10 HN MET 10 -13.635 7.275 -22.555 73 HA MET 10 HA MET 10 -12.997 7.265 -19.791 74 HB2 MET 10 HB2 MET 10 -11.354 8.300 -22.115 75 HB3 MET 10 HB1 MET 10 -10.745 7.891 -20.510 76 HG2 MET 10 HG2 MET 10 -12.304 5.819 -22.003 77 HG3 MET 10 HG1 MET 10 -10.639 6.128 -22.495 78 HE1 MET 10 HE1 MET 10 -11.585 3.246 -21.354 79 HE2 MET 10 HE2 MET 10 -12.882 4.179 -20.613 80 HE3 MET 10 HE3 MET 10 -11.830 3.189 -19.603 81 H THR 11 HN THR 11 -13.418 8.799 -18.376 82 HA THR 11 HA THR 11 -13.470 11.613 -19.277 83 HB THR 11 HB THR 11 -15.572 10.548 -18.247 84 HG1 THR 11 HG1 THR 11 -14.545 12.764 -16.830 85 HG21 THR 11 HG21 THR 11 -15.628 10.210 -15.900 86 HG22 THR 11 HG22 THR 11 -14.074 11.012 -15.670 87 HG23 THR 11 HG23 THR 11 -14.142 9.425 -16.436 88 H CYS 12 HN CYS 12 -12.214 9.335 -16.931 89 HA CYS 12 HA CYS 12 -10.552 11.451 -15.717 90 HB2 CYS 12 HB2 CYS 12 -11.234 8.673 -14.737 91 HB3 CYS 12 HB1 CYS 12 -10.169 9.804 -13.904 92 HG CYS 12 HG CYS 12 -13.239 10.021 -14.067 93 H GLY 13 HN GLY 13 -9.950 10.400 -18.322 94 HA2 GLY 13 HA2 GLY 13 -8.332 8.523 -19.001 95 HA3 GLY 13 HA1 GLY 13 -7.711 10.163 -19.171 96 H GLY 14 HN GLY 14 -7.140 10.953 -16.685 97 HA2 GLY 14 HA2 GLY 14 -4.713 9.621 -16.075 98 HA3 GLY 14 HA1 GLY 14 -5.475 10.874 -15.101 99 H CYS 15 HN CYS 15 -7.765 9.861 -14.219 100 HA CYS 15 HA CYS 15 -6.886 7.757 -12.413 101 HB2 CYS 15 HB2 CYS 15 -8.579 9.945 -12.168 102 HB3 CYS 15 HB1 CYS 15 -9.670 8.559 -12.161 103 HG CYS 15 HG CYS 15 -8.756 7.831 -9.960 104 H ALA 16 HN ALA 16 -9.300 8.179 -14.985 105 HA ALA 16 HA ALA 16 -10.750 5.827 -14.654 106 HB1 ALA 16 HB1 ALA 16 -10.067 7.523 -17.024 107 HB2 ALA 16 HB2 ALA 16 -11.639 7.197 -16.297 108 HB3 ALA 16 HB3 ALA 16 -10.853 5.967 -17.285 109 H GLU 17 HN GLU 17 -7.561 6.322 -16.061 110 HA GLU 17 HA GLU 17 -7.300 3.781 -17.290 111 HB2 GLU 17 HB2 GLU 17 -5.806 5.708 -17.763 112 HB3 GLU 17 HB1 GLU 17 -5.116 5.539 -16.148 113 HG2 GLU 17 HG2 GLU 17 -4.284 3.333 -16.655 114 HG3 GLU 17 HG1 GLU 17 -5.149 3.303 -18.190 115 H ALA 18 HN ALA 18 -6.434 4.987 -14.063 116 HA ALA 18 HA ALA 18 -5.322 2.500 -13.175 117 HB1 ALA 18 HB1 ALA 18 -5.625 5.164 -12.145 118 HB2 ALA 18 HB2 ALA 18 -4.557 3.878 -11.583 119 HB3 ALA 18 HB3 ALA 18 -6.194 4.007 -10.941 120 H VAL 19 HN VAL 19 -8.496 3.920 -13.250 121 HA VAL 19 HA VAL 19 -9.808 2.388 -11.305 122 HB VAL 19 HB VAL 19 -10.733 3.697 -13.855 123 HG11 VAL 19 HG11 VAL 19 -12.408 2.137 -13.831 124 HG12 VAL 19 HG12 VAL 19 -13.045 3.155 -12.540 125 HG13 VAL 19 HG13 VAL 19 -12.122 1.706 -12.146 126 HG21 VAL 19 HG21 VAL 19 -10.102 4.973 -11.721 127 HG22 VAL 19 HG22 VAL 19 -11.507 4.214 -10.974 128 HG23 VAL 19 HG23 VAL 19 -11.715 5.284 -12.360 129 H SER 20 HN SER 20 -8.957 1.678 -14.640 130 HA SER 20 HA SER 20 -10.495 -0.602 -15.083 131 HB2 SER 20 HB2 SER 20 -8.680 0.744 -16.551 132 HB3 SER 20 HB1 SER 20 -7.704 -0.647 -16.090 133 HG SER 20 HG SER 20 -8.969 -0.919 -18.040 134 H ARG 21 HN ARG 21 -7.533 -0.188 -13.237 135 HA ARG 21 HA ARG 21 -6.730 -2.855 -12.972 136 HB2 ARG 21 HB2 ARG 21 -6.611 -0.766 -10.783 137 HB3 ARG 21 HB1 ARG 21 -5.557 -2.165 -10.984 138 HG2 ARG 21 HG2 ARG 21 -4.620 -1.246 -13.021 139 HG3 ARG 21 HG1 ARG 21 -5.782 0.081 -13.007 140 HD2 ARG 21 HD2 ARG 21 -3.527 -0.421 -11.057 141 HD3 ARG 21 HD1 ARG 21 -3.741 0.966 -12.121 142 HE ARG 21 HE ARG 21 -5.909 1.244 -10.652 143 HH11 ARG 21 HH21 ARG 21 -2.749 0.210 -9.691 144 HH12 ARG 21 HH22 ARG 21 -2.884 0.836 -8.082 145 HH21 ARG 21 HH11 ARG 21 -6.090 2.067 -8.545 146 HH22 ARG 21 HH12 ARG 21 -4.774 1.888 -7.434 147 H VAL 22 HN VAL 22 -9.174 -0.995 -11.250 148 HA VAL 22 HA VAL 22 -9.809 -2.775 -9.197 149 HB VAL 22 HB VAL 22 -11.656 -0.904 -10.693 150 HG11 VAL 22 HG11 VAL 22 -12.872 -2.544 -9.330 151 HG12 VAL 22 HG12 VAL 22 -12.953 -0.949 -8.581 152 HG13 VAL 22 HG13 VAL 22 -11.849 -2.169 -7.943 153 HG21 VAL 22 HG21 VAL 22 -9.378 -0.231 -9.343 154 HG22 VAL 22 HG22 VAL 22 -10.561 -0.205 -8.034 155 HG23 VAL 22 HG23 VAL 22 -10.798 0.811 -9.456 156 H LEU 23 HN LEU 23 -10.414 -3.052 -12.585 157 HA LEU 23 HA LEU 23 -12.761 -4.581 -12.598 158 HB2 LEU 23 HB2 LEU 23 -11.181 -3.625 -14.543 159 HB3 LEU 23 HB1 LEU 23 -10.646 -5.305 -14.552 160 HG LEU 23 HG LEU 23 -12.489 -5.107 -16.104 161 HD11 LEU 23 HD11 LEU 23 -13.907 -6.808 -15.269 162 HD12 LEU 23 HD12 LEU 23 -13.723 -6.265 -13.603 163 HD13 LEU 23 HD13 LEU 23 -12.382 -7.064 -14.423 164 HD21 LEU 23 HD21 LEU 23 -14.274 -3.752 -15.771 165 HD22 LEU 23 HD22 LEU 23 -13.348 -3.086 -14.429 166 HD23 LEU 23 HD23 LEU 23 -14.534 -4.356 -14.136 167 H ASN 24 HN ASN 24 -9.428 -5.516 -11.961 168 HA ASN 24 HA ASN 24 -9.721 -8.305 -12.167 169 HB2 ASN 24 HB2 ASN 24 -7.951 -7.074 -10.084 170 HB3 ASN 24 HB1 ASN 24 -7.647 -8.463 -11.127 171 HD21 ASN 24 HD21 ASN 24 -8.067 -7.542 -13.670 172 HD22 ASN 24 HD22 ASN 24 -7.066 -6.215 -14.013 173 H LYS 25 HN LYS 25 -10.250 -6.102 -9.437 174 HA LYS 25 HA LYS 25 -10.816 -8.120 -7.518 175 HB2 LYS 25 HB2 LYS 25 -11.449 -5.174 -7.665 176 HB3 LYS 25 HB1 LYS 25 -11.930 -6.175 -6.294 177 HG2 LYS 25 HG2 LYS 25 -9.414 -6.926 -6.311 178 HG3 LYS 25 HG1 LYS 25 -9.169 -5.431 -7.213 179 HD2 LYS 25 HD2 LYS 25 -10.685 -4.435 -5.253 180 HD3 LYS 25 HD1 LYS 25 -10.020 -5.814 -4.376 181 HE2 LYS 25 HE2 LYS 25 -7.754 -5.092 -4.833 182 HE3 LYS 25 HE1 LYS 25 -8.333 -3.808 -5.896 183 HZ1 LYS 25 HZ1 LYS 25 -9.448 -2.797 -4.005 184 HZ2 LYS 25 HZ2 LYS 25 -7.782 -2.953 -3.710 185 HZ3 LYS 25 HZ3 LYS 25 -8.880 -4.028 -2.985 186 H LEU 26 HN LEU 26 -12.919 -6.120 -9.585 187 HA LEU 26 HA LEU 26 -15.326 -7.337 -8.560 188 HB2 LEU 26 HB2 LEU 26 -14.684 -5.025 -10.034 189 HB3 LEU 26 HB1 LEU 26 -15.697 -6.005 -11.093 190 HG LEU 26 HG LEU 26 -17.161 -4.611 -9.778 191 HD11 LEU 26 HD11 LEU 26 -18.603 -6.301 -9.349 192 HD12 LEU 26 HD12 LEU 26 -17.543 -6.998 -8.124 193 HD13 LEU 26 HD13 LEU 26 -17.296 -7.383 -9.827 194 HD21 LEU 26 HD21 LEU 26 -15.180 -5.186 -7.716 195 HD22 LEU 26 HD22 LEU 26 -16.822 -5.441 -7.125 196 HD23 LEU 26 HD23 LEU 26 -16.359 -3.876 -7.794 197 H GLY 27 HN GLY 27 -13.379 -7.629 -11.508 198 HA2 GLY 27 HA2 GLY 27 -15.171 -9.725 -12.513 199 HA3 GLY 27 HA1 GLY 27 -13.875 -8.949 -13.417 200 H GLY 28 HN GLY 28 -11.640 -9.296 -12.106 201 HA2 GLY 28 HA2 GLY 28 -10.014 -10.795 -11.431 202 HA3 GLY 28 HA1 GLY 28 -11.304 -11.841 -10.840 203 H VAL 29 HN VAL 29 -11.744 -10.888 -14.052 204 HA VAL 29 HA VAL 29 -10.635 -13.448 -15.043 205 HB VAL 29 HB VAL 29 -12.726 -12.398 -16.724 206 HG11 VAL 29 HG11 VAL 29 -13.582 -14.636 -16.496 207 HG12 VAL 29 HG12 VAL 29 -12.692 -14.884 -14.994 208 HG13 VAL 29 HG13 VAL 29 -11.824 -14.761 -16.524 209 HG21 VAL 29 HG21 VAL 29 -13.534 -11.355 -14.630 210 HG22 VAL 29 HG22 VAL 29 -13.457 -12.923 -13.825 211 HG23 VAL 29 HG23 VAL 29 -14.600 -12.662 -15.143 212 H LYS 30 HN LYS 30 -10.779 -13.198 -17.644 213 HA LYS 30 HA LYS 30 -8.593 -11.598 -18.350 214 HB2 LYS 30 HB2 LYS 30 -10.544 -13.288 -19.746 215 HB3 LYS 30 HB1 LYS 30 -9.924 -11.961 -20.728 216 HG2 LYS 30 HG2 LYS 30 -7.588 -12.665 -19.967 217 HG3 LYS 30 HG1 LYS 30 -8.341 -14.129 -19.336 218 HD2 LYS 30 HD2 LYS 30 -9.065 -14.812 -21.501 219 HD3 LYS 30 HD1 LYS 30 -8.730 -13.225 -22.194 220 HE2 LYS 30 HE2 LYS 30 -6.536 -14.883 -20.954 221 HE3 LYS 30 HE1 LYS 30 -7.012 -15.107 -22.637 222 HZ1 LYS 30 HZ1 LYS 30 -5.637 -12.878 -21.376 223 HZ2 LYS 30 HZ2 LYS 30 -6.794 -12.468 -22.551 224 HZ3 LYS 30 HZ3 LYS 30 -5.496 -13.490 -22.951 225 H TYR 31 HN TYR 31 -8.390 -9.513 -18.793 226 HA TYR 31 HA TYR 31 -10.728 -7.992 -19.727 227 HB2 TYR 31 HB2 TYR 31 -10.372 -6.219 -18.152 228 HB3 TYR 31 HB1 TYR 31 -10.462 -7.719 -17.231 229 HD1 TYR 31 HD1 TYR 31 -8.292 -8.874 -16.563 230 HD2 TYR 31 HD2 TYR 31 -8.429 -4.863 -18.090 231 HE1 TYR 31 HE1 TYR 31 -6.033 -8.444 -15.634 232 HE2 TYR 31 HE2 TYR 31 -6.171 -4.432 -17.162 233 HH TYR 31 HH TYR 31 -4.341 -5.396 -16.259 234 H ASP 32 HN ASP 32 -10.150 -5.964 -20.765 235 HA ASP 32 HA ASP 32 -7.377 -5.423 -21.364 236 HB2 ASP 32 HB2 ASP 32 -9.173 -6.787 -23.340 237 HB3 ASP 32 HB1 ASP 32 -7.974 -5.628 -23.913 238 H ILE 33 HN ILE 33 -7.194 -3.286 -21.578 239 HA ILE 33 HA ILE 33 -9.591 -1.759 -22.401 240 HB ILE 33 HB ILE 33 -8.982 -1.371 -20.055 241 HG12 ILE 33 HG12 ILE 33 -8.251 0.946 -21.875 242 HG13 ILE 33 HG11 ILE 33 -9.888 0.488 -21.415 243 HG21 ILE 33 HG21 ILE 33 -6.538 -1.931 -20.415 244 HG22 ILE 33 HG22 ILE 33 -6.824 -0.487 -19.442 245 HG23 ILE 33 HG23 ILE 33 -6.347 -0.331 -21.133 246 HD11 ILE 33 HD11 ILE 33 -7.921 0.942 -19.216 247 HD12 ILE 33 HD12 ILE 33 -9.654 1.267 -19.258 248 HD13 ILE 33 HD13 ILE 33 -8.533 2.359 -20.069 249 H ASP 34 HN ASP 34 -9.419 -0.598 -24.211 250 HA ASP 34 HA ASP 34 -6.718 -0.124 -25.314 251 HB2 ASP 34 HB2 ASP 34 -8.810 -1.404 -26.507 252 HB3 ASP 34 HB1 ASP 34 -9.046 0.245 -27.082 253 H LEU 35 HN LEU 35 -6.157 1.840 -24.525 254 HA LEU 35 HA LEU 35 -7.888 4.001 -24.057 255 HB2 LEU 35 HB2 LEU 35 -5.081 3.471 -23.875 256 HB3 LEU 35 HB1 LEU 35 -5.312 5.020 -24.685 257 HG LEU 35 HG LEU 35 -6.766 4.291 -22.135 258 HD11 LEU 35 HD11 LEU 35 -4.448 4.214 -21.538 259 HD12 LEU 35 HD12 LEU 35 -5.026 5.809 -21.055 260 HD13 LEU 35 HD13 LEU 35 -4.078 5.624 -22.531 261 HD21 LEU 35 HD21 LEU 35 -6.845 6.835 -22.011 262 HD22 LEU 35 HD22 LEU 35 -7.792 6.114 -23.312 263 HD23 LEU 35 HD23 LEU 35 -6.228 6.850 -23.663 264 HA PRO 36 HA PRO 36 -6.279 5.733 -28.353 265 HB2 PRO 36 HB2 PRO 36 -5.874 3.157 -29.773 266 HB3 PRO 36 HB1 PRO 36 -4.901 4.638 -29.818 267 HG2 PRO 36 HG2 PRO 36 -4.082 2.449 -28.529 268 HG3 PRO 36 HG1 PRO 36 -3.716 4.080 -27.944 269 HD2 PRO 36 HD2 PRO 36 -5.713 2.112 -26.903 270 HD3 PRO 36 HD1 PRO 36 -4.749 3.318 -26.024 271 H ASN 37 HN ASN 37 -8.199 2.817 -27.974 272 HA ASN 37 HA ASN 37 -10.014 3.714 -30.117 273 HB2 ASN 37 HB2 ASN 37 -9.147 1.116 -29.139 274 HB3 ASN 37 HB1 ASN 37 -10.904 1.238 -29.205 275 HD21 ASN 37 HD21 ASN 37 -7.958 1.280 -31.166 276 HD22 ASN 37 HD22 ASN 37 -8.748 1.187 -32.666 277 H LYS 38 HN LYS 38 -9.673 3.861 -26.790 278 HA LYS 38 HA LYS 38 -11.118 4.308 -25.054 279 HB2 LYS 38 HB2 LYS 38 -13.202 5.278 -26.951 280 HB3 LYS 38 HB1 LYS 38 -12.589 6.023 -25.474 281 HG2 LYS 38 HG2 LYS 38 -10.376 6.324 -26.777 282 HG3 LYS 38 HG1 LYS 38 -11.337 5.998 -28.219 283 HD2 LYS 38 HD2 LYS 38 -12.837 7.856 -27.675 284 HD3 LYS 38 HD1 LYS 38 -11.946 8.160 -26.183 285 HE2 LYS 38 HE2 LYS 38 -10.082 8.996 -27.305 286 HE3 LYS 38 HE1 LYS 38 -10.468 8.138 -28.796 287 HZ1 LYS 38 HZ1 LYS 38 -10.944 10.450 -29.079 288 HZ2 LYS 38 HZ2 LYS 38 -11.901 10.484 -27.676 289 HZ3 LYS 38 HZ3 LYS 38 -12.414 9.606 -29.037 290 H LYS 39 HN LYS 39 -11.221 1.689 -26.109 291 HA LYS 39 HA LYS 39 -14.023 0.998 -25.493 292 HB2 LYS 39 HB2 LYS 39 -13.706 0.772 -27.918 293 HB3 LYS 39 HB1 LYS 39 -12.307 -0.265 -27.646 294 HG2 LYS 39 HG2 LYS 39 -13.630 -2.066 -27.382 295 HG3 LYS 39 HG1 LYS 39 -14.556 -1.247 -26.124 296 HD2 LYS 39 HD2 LYS 39 -15.941 -1.929 -28.111 297 HD3 LYS 39 HD1 LYS 39 -15.987 -0.199 -27.776 298 HE2 LYS 39 HE2 LYS 39 -13.759 -0.775 -29.509 299 HE3 LYS 39 HE1 LYS 39 -15.231 -1.461 -30.197 300 HZ1 LYS 39 HZ1 LYS 39 -14.550 1.329 -29.667 301 HZ2 LYS 39 HZ2 LYS 39 -16.173 0.871 -29.461 302 HZ3 LYS 39 HZ3 LYS 39 -15.408 0.650 -30.962 303 H VAL 40 HN VAL 40 -14.301 -0.928 -24.335 304 HA VAL 40 HA VAL 40 -11.800 -2.146 -23.333 305 HB VAL 40 HB VAL 40 -14.330 -1.831 -21.718 306 HG11 VAL 40 HG11 VAL 40 -13.109 -3.385 -20.557 307 HG12 VAL 40 HG12 VAL 40 -12.278 -1.947 -19.966 308 HG13 VAL 40 HG13 VAL 40 -11.582 -2.887 -21.285 309 HG21 VAL 40 HG21 VAL 40 -13.624 0.411 -22.181 310 HG22 VAL 40 HG22 VAL 40 -11.926 -0.013 -21.981 311 HG23 VAL 40 HG23 VAL 40 -12.993 0.026 -20.579 312 H CYS 41 HN CYS 41 -11.633 -4.219 -23.824 313 HA CYS 41 HA CYS 41 -14.093 -5.771 -24.339 314 HB2 CYS 41 HB2 CYS 41 -11.356 -5.800 -25.492 315 HB3 CYS 41 HB1 CYS 41 -12.145 -7.364 -25.291 316 HG CYS 41 HG CYS 41 -14.180 -5.683 -26.567 317 H ILE 42 HN ILE 42 -14.686 -6.990 -22.662 318 HA ILE 42 HA ILE 42 -12.557 -8.201 -21.001 319 HB ILE 42 HB ILE 42 -13.536 -6.639 -19.570 320 HG12 ILE 42 HG12 ILE 42 -15.474 -8.854 -19.013 321 HG13 ILE 42 HG11 ILE 42 -13.750 -9.220 -18.942 322 HG21 ILE 42 HG21 ILE 42 -15.358 -5.669 -20.567 323 HG22 ILE 42 HG22 ILE 42 -16.237 -6.782 -19.519 324 HG23 ILE 42 HG23 ILE 42 -15.950 -7.202 -21.208 325 HD11 ILE 42 HD11 ILE 42 -13.439 -7.994 -17.052 326 HD12 ILE 42 HD12 ILE 42 -15.180 -8.193 -16.853 327 HD13 ILE 42 HD13 ILE 42 -14.539 -6.720 -17.581 328 H GLU 43 HN GLU 43 -12.666 -10.319 -20.579 329 HA GLU 43 HA GLU 43 -14.994 -11.816 -21.611 330 HB2 GLU 43 HB2 GLU 43 -12.061 -12.459 -21.364 331 HB3 GLU 43 HB1 GLU 43 -13.255 -13.750 -21.423 332 HG2 GLU 43 HG2 GLU 43 -12.678 -13.452 -23.685 333 HG3 GLU 43 HG1 GLU 43 -14.165 -12.522 -23.521 334 H SER 44 HN SER 44 -16.331 -12.413 -19.978 335 HA SER 44 HA SER 44 -15.118 -13.454 -17.519 336 HB2 SER 44 HB2 SER 44 -16.996 -12.090 -16.295 337 HB3 SER 44 HB1 SER 44 -15.462 -11.324 -16.698 338 HG SER 44 HG SER 44 -17.059 -9.987 -17.438 339 H GLU 45 HN GLU 45 -16.698 -14.481 -16.091 340 HA GLU 45 HA GLU 45 -18.319 -16.328 -17.520 341 HB2 GLU 45 HB2 GLU 45 -18.328 -15.742 -14.553 342 HB3 GLU 45 HB1 GLU 45 -18.804 -17.243 -15.351 343 HG2 GLU 45 HG2 GLU 45 -16.308 -17.011 -16.338 344 HG3 GLU 45 HG1 GLU 45 -16.084 -16.169 -14.806 345 H HIS 46 HN HIS 46 -18.950 -13.368 -15.723 346 HA HIS 46 HA HIS 46 -21.830 -13.653 -16.317 347 HB2 HIS 46 HB2 HIS 46 -20.697 -11.695 -14.340 348 HB3 HIS 46 HB1 HIS 46 -22.319 -12.384 -14.411 349 HD1 HIS 46 HD1 HIS 46 -22.346 -15.125 -14.018 350 HD2 HIS 46 HD2 HIS 46 -19.044 -13.029 -12.576 351 HE1 HIS 46 HE1 HIS 46 -21.222 -16.636 -12.325 352 H SER 47 HN SER 47 -19.505 -11.013 -15.797 353 HA SER 47 HA SER 47 -19.141 -9.052 -16.933 354 HB2 SER 47 HB2 SER 47 -20.515 -9.894 -19.400 355 HB3 SER 47 HB1 SER 47 -18.880 -9.278 -19.170 356 HG SER 47 HG SER 47 -19.614 -11.763 -19.562 357 H MET 48 HN MET 48 -21.187 -8.838 -15.282 358 HA MET 48 HA MET 48 -22.874 -6.892 -16.534 359 HB2 MET 48 HB2 MET 48 -25.027 -8.097 -15.937 360 HB3 MET 48 HB1 MET 48 -24.150 -8.756 -17.319 361 HG2 MET 48 HG2 MET 48 -23.479 -10.649 -16.169 362 HG3 MET 48 HG1 MET 48 -23.520 -9.838 -14.603 363 HE1 MET 48 HE1 MET 48 -26.928 -10.210 -17.272 364 HE2 MET 48 HE2 MET 48 -26.465 -11.904 -17.116 365 HE3 MET 48 HE3 MET 48 -25.265 -10.712 -17.610 366 H ASP 49 HN ASP 49 -21.174 -6.548 -14.504 367 HA ASP 49 HA ASP 49 -22.660 -5.346 -12.492 368 HB2 ASP 49 HB2 ASP 49 -21.841 -7.095 -10.648 369 HB3 ASP 49 HB1 ASP 49 -23.411 -7.243 -11.436 370 H THR 50 HN THR 50 -19.744 -7.046 -13.393 371 HA THR 50 HA THR 50 -18.043 -5.644 -11.530 372 HB THR 50 HB THR 50 -17.175 -7.733 -12.077 373 HG1 THR 50 HG1 THR 50 -15.840 -6.551 -14.172 374 HG21 THR 50 HG21 THR 50 -16.977 -8.364 -14.605 375 HG22 THR 50 HG22 THR 50 -18.201 -7.115 -14.841 376 HG23 THR 50 HG23 THR 50 -18.546 -8.511 -13.815 377 H LEU 51 HN LEU 51 -18.893 -5.392 -14.944 378 HA LEU 51 HA LEU 51 -16.948 -3.485 -15.680 379 HB2 LEU 51 HB2 LEU 51 -19.666 -3.645 -16.948 380 HB3 LEU 51 HB1 LEU 51 -18.108 -3.309 -17.700 381 HG LEU 51 HG LEU 51 -19.091 -5.959 -16.619 382 HD11 LEU 51 HD11 LEU 51 -18.375 -6.597 -19.019 383 HD12 LEU 51 HD12 LEU 51 -18.362 -4.862 -19.335 384 HD13 LEU 51 HD13 LEU 51 -19.857 -5.656 -18.837 385 HD21 LEU 51 HD21 LEU 51 -16.754 -5.655 -15.946 386 HD22 LEU 51 HD22 LEU 51 -16.326 -5.160 -17.584 387 HD23 LEU 51 HD23 LEU 51 -16.842 -6.817 -17.270 388 H LEU 52 HN LEU 52 -20.397 -3.014 -14.871 389 HA LEU 52 HA LEU 52 -20.471 -0.254 -15.143 390 HB2 LEU 52 HB2 LEU 52 -22.297 -0.527 -13.240 391 HB3 LEU 52 HB1 LEU 52 -22.580 -1.107 -14.878 392 HG LEU 52 HG LEU 52 -21.254 -2.947 -12.920 393 HD11 LEU 52 HD11 LEU 52 -23.003 -2.760 -11.489 394 HD12 LEU 52 HD12 LEU 52 -23.945 -3.582 -12.733 395 HD13 LEU 52 HD13 LEU 52 -23.951 -1.822 -12.644 396 HD21 LEU 52 HD21 LEU 52 -21.740 -4.489 -14.506 397 HD22 LEU 52 HD22 LEU 52 -22.155 -3.134 -15.557 398 HD23 LEU 52 HD23 LEU 52 -23.412 -3.944 -14.624 399 H ALA 53 HN ALA 53 -19.887 -2.092 -12.129 400 HA ALA 53 HA ALA 53 -19.558 0.141 -10.464 401 HB1 ALA 53 HB1 ALA 53 -18.296 -2.596 -10.224 402 HB2 ALA 53 HB2 ALA 53 -19.882 -2.132 -9.605 403 HB3 ALA 53 HB3 ALA 53 -18.422 -1.407 -8.928 404 H THR 54 HN THR 54 -17.082 -1.769 -12.187 405 HA THR 54 HA THR 54 -14.897 -0.226 -11.233 406 HB THR 54 HB THR 54 -13.699 -1.334 -13.188 407 HG1 THR 54 HG1 THR 54 -16.280 -2.479 -13.393 408 HG21 THR 54 HG21 THR 54 -14.649 -3.685 -11.976 409 HG22 THR 54 HG22 THR 54 -14.813 -2.427 -10.752 410 HG23 THR 54 HG23 THR 54 -13.242 -2.738 -11.493 411 H LEU 55 HN LEU 55 -16.576 -0.234 -14.384 412 HA LEU 55 HA LEU 55 -15.024 1.824 -15.524 413 HB2 LEU 55 HB2 LEU 55 -17.704 0.631 -16.137 414 HB3 LEU 55 HB1 LEU 55 -17.167 2.068 -16.997 415 HG LEU 55 HG LEU 55 -15.302 0.960 -17.939 416 HD11 LEU 55 HD11 LEU 55 -14.301 -0.139 -16.094 417 HD12 LEU 55 HD12 LEU 55 -14.782 -1.451 -17.167 418 HD13 LEU 55 HD13 LEU 55 -15.760 -1.069 -15.751 419 HD21 LEU 55 HD21 LEU 55 -17.385 0.218 -18.977 420 HD22 LEU 55 HD22 LEU 55 -17.582 -1.035 -17.755 421 HD23 LEU 55 HD23 LEU 55 -16.258 -1.135 -18.916 422 H LYS 56 HN LYS 56 -18.073 1.934 -13.704 423 HA LYS 56 HA LYS 56 -18.499 4.727 -14.115 424 HB2 LYS 56 HB2 LYS 56 -19.613 2.800 -12.072 425 HB3 LYS 56 HB1 LYS 56 -20.150 4.472 -12.247 426 HG2 LYS 56 HG2 LYS 56 -20.933 4.086 -14.473 427 HG3 LYS 56 HG1 LYS 56 -20.139 2.514 -14.551 428 HD2 LYS 56 HD2 LYS 56 -22.444 2.052 -14.128 429 HD3 LYS 56 HD1 LYS 56 -21.615 1.819 -12.587 430 HE2 LYS 56 HE2 LYS 56 -22.427 3.836 -11.699 431 HE3 LYS 56 HE1 LYS 56 -22.781 4.505 -13.293 432 HZ1 LYS 56 HZ1 LYS 56 -24.181 2.059 -12.553 433 HZ2 LYS 56 HZ2 LYS 56 -24.734 3.409 -13.425 434 HZ3 LYS 56 HZ3 LYS 56 -24.639 3.470 -11.730 435 H LYS 57 HN LYS 57 -16.414 2.986 -12.012 436 HA LYS 57 HA LYS 57 -16.321 4.546 -9.734 437 HB2 LYS 57 HB2 LYS 57 -14.717 2.544 -10.878 438 HB3 LYS 57 HB1 LYS 57 -13.634 3.900 -10.567 439 HG2 LYS 57 HG2 LYS 57 -14.273 3.981 -8.248 440 HG3 LYS 57 HG1 LYS 57 -15.582 2.830 -8.513 441 HD2 LYS 57 HD2 LYS 57 -14.067 1.032 -8.887 442 HD3 LYS 57 HD1 LYS 57 -12.696 2.127 -9.066 443 HE2 LYS 57 HE2 LYS 57 -14.279 1.965 -6.499 444 HE3 LYS 57 HE1 LYS 57 -12.905 0.905 -6.815 445 HZ1 LYS 57 HZ1 LYS 57 -11.772 3.165 -7.423 446 HZ2 LYS 57 HZ2 LYS 57 -11.869 2.648 -5.807 447 HZ3 LYS 57 HZ3 LYS 57 -12.963 3.805 -6.399 448 H THR 58 HN THR 58 -14.881 5.236 -12.903 449 HA THR 58 HA THR 58 -13.642 7.673 -11.897 450 HB THR 58 HB THR 58 -12.243 7.058 -13.555 451 HG1 THR 58 HG1 THR 58 -14.410 8.014 -15.098 452 HG21 THR 58 HG21 THR 58 -12.936 5.574 -15.446 453 HG22 THR 58 HG22 THR 58 -14.575 5.583 -14.799 454 HG23 THR 58 HG23 THR 58 -13.259 4.874 -13.862 455 H GLY 59 HN GLY 59 -16.686 6.933 -12.417 456 HA2 GLY 59 HA2 GLY 59 -18.568 8.264 -12.669 457 HA3 GLY 59 HA1 GLY 59 -17.503 9.650 -12.896 458 H ALA 60 HN ALA 60 -16.720 7.022 -14.872 459 HA ALA 60 HA ALA 60 -17.428 8.452 -17.264 460 HB1 ALA 60 HB1 ALA 60 -15.377 7.036 -17.032 461 HB2 ALA 60 HB2 ALA 60 -16.364 6.625 -18.434 462 HB3 ALA 60 HB3 ALA 60 -16.419 5.614 -16.990 463 H THR 61 HN THR 61 -18.899 7.822 -18.859 464 HA THR 61 HA THR 61 -21.313 6.607 -17.876 465 HB THR 61 HB THR 61 -21.103 8.507 -19.596 466 HG1 THR 61 HG1 THR 61 -23.025 7.290 -19.125 467 HG21 THR 61 HG21 THR 61 -20.651 7.971 -21.842 468 HG22 THR 61 HG22 THR 61 -20.875 6.244 -21.570 469 HG23 THR 61 HG23 THR 61 -19.435 7.053 -20.954 470 H VAL 62 HN VAL 62 -21.897 4.525 -17.994 471 HA VAL 62 HA VAL 62 -20.273 2.727 -19.689 472 HB VAL 62 HB VAL 62 -20.249 2.447 -17.138 473 HG11 VAL 62 HG11 VAL 62 -22.716 2.793 -16.884 474 HG12 VAL 62 HG12 VAL 62 -22.156 1.280 -16.172 475 HG13 VAL 62 HG13 VAL 62 -22.980 1.269 -17.731 476 HG21 VAL 62 HG21 VAL 62 -21.155 0.130 -18.879 477 HG22 VAL 62 HG22 VAL 62 -20.299 -0.010 -17.343 478 HG23 VAL 62 HG23 VAL 62 -19.497 0.713 -18.737 479 H SER 63 HN SER 63 -21.248 1.509 -21.196 480 HA SER 63 HA SER 63 -24.179 1.236 -21.135 481 HB2 SER 63 HB2 SER 63 -23.381 3.155 -22.652 482 HB3 SER 63 HB1 SER 63 -22.720 1.894 -23.689 483 HG SER 63 HG SER 63 -25.408 2.326 -22.906 484 H TYR 64 HN TYR 64 -24.759 -0.821 -21.419 485 HA TYR 64 HA TYR 64 -22.774 -2.789 -22.170 486 HB2 TYR 64 HB2 TYR 64 -24.140 -4.302 -21.162 487 HB3 TYR 64 HB1 TYR 64 -24.888 -2.867 -20.467 488 HD1 TYR 64 HD1 TYR 64 -25.049 -5.097 -23.467 489 HD2 TYR 64 HD2 TYR 64 -27.166 -2.436 -20.844 490 HE1 TYR 64 HE1 TYR 64 -27.174 -5.656 -24.616 491 HE2 TYR 64 HE2 TYR 64 -29.292 -2.994 -21.992 492 HH TYR 64 HH TYR 64 -29.694 -5.619 -23.936 493 H LEU 65 HN LEU 65 -22.428 -3.522 -24.164 494 HA LEU 65 HA LEU 65 -24.126 -2.656 -26.346 495 HB2 LEU 65 HB2 LEU 65 -21.676 -4.436 -26.360 496 HB3 LEU 65 HB1 LEU 65 -22.446 -3.721 -27.777 497 HG LEU 65 HG LEU 65 -21.193 -2.197 -25.474 498 HD11 LEU 65 HD11 LEU 65 -19.580 -1.472 -27.213 499 HD12 LEU 65 HD12 LEU 65 -20.373 -2.533 -28.376 500 HD13 LEU 65 HD13 LEU 65 -19.541 -3.219 -26.980 501 HD21 LEU 65 HD21 LEU 65 -22.878 -0.761 -26.187 502 HD22 LEU 65 HD22 LEU 65 -22.868 -1.399 -27.831 503 HD23 LEU 65 HD23 LEU 65 -21.584 -0.314 -27.298 504 H GLY 66 HN GLY 66 -23.080 -5.791 -25.005 505 HA2 GLY 66 HA2 GLY 66 -25.296 -7.228 -24.841 506 HA3 GLY 66 HA1 GLY 66 -25.115 -7.172 -26.592 507 H LEU 67 HN LEU 67 -25.093 -9.620 -25.605 508 HA LEU 67 HA LEU 67 -22.366 -10.451 -24.979 509 HB2 LEU 67 HB2 LEU 67 -24.787 -12.208 -25.417 510 HB3 LEU 67 HB1 LEU 67 -23.291 -12.624 -24.580 511 HG LEU 67 HG LEU 67 -24.878 -10.277 -23.601 512 HD11 LEU 67 HD11 LEU 67 -26.668 -11.780 -23.620 513 HD12 LEU 67 HD12 LEU 67 -25.963 -12.084 -22.032 514 HD13 LEU 67 HD13 LEU 67 -25.624 -13.179 -23.373 515 HD21 LEU 67 HD21 LEU 67 -23.621 -10.564 -21.708 516 HD22 LEU 67 HD22 LEU 67 -22.539 -11.406 -22.816 517 HD23 LEU 67 HD23 LEU 67 -23.669 -12.323 -21.820 518 H GLU 68 HN GLU 68 -21.033 -11.582 -26.333 519 HA GLU 68 HA GLU 68 -21.889 -11.742 -29.153 520 HB2 GLU 68 HB2 GLU 68 -19.763 -10.427 -28.245 521 HB3 GLU 68 HB1 GLU 68 -19.030 -12.028 -28.352 522 HG2 GLU 68 HG2 GLU 68 -18.676 -10.924 -30.469 523 HG3 GLU 68 HG1 GLU 68 -19.890 -12.178 -30.716 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -16.093 -20.524 -25.340 2 H2 MET 1 HT2 MET 1 -17.334 -19.773 -24.453 3 H3 MET 1 HT3 MET 1 -16.139 -20.676 -23.652 4 HA MET 1 HA MET 1 -15.051 -18.786 -23.333 5 HB2 MET 1 HB2 MET 1 -14.496 -19.717 -25.992 6 HB3 MET 1 HB1 MET 1 -14.443 -17.954 -25.985 7 HG2 MET 1 HG2 MET 1 -12.235 -18.879 -25.424 8 HG3 MET 1 HG1 MET 1 -12.909 -18.014 -24.043 9 HE1 MET 1 HE1 MET 1 -11.035 -18.977 -23.112 10 HE2 MET 1 HE2 MET 1 -10.558 -20.670 -23.211 11 HE3 MET 1 HE3 MET 1 -11.435 -20.091 -21.798 12 HA PRO 2 HA PRO 2 -18.562 -16.016 -24.443 13 HB2 PRO 2 HB2 PRO 2 -19.102 -15.178 -21.911 14 HB3 PRO 2 HB1 PRO 2 -19.755 -16.683 -22.586 15 HG2 PRO 2 HG2 PRO 2 -17.510 -16.274 -20.692 16 HG3 PRO 2 HG1 PRO 2 -18.700 -17.583 -20.772 17 HD2 PRO 2 HD2 PRO 2 -16.088 -17.761 -21.714 18 HD3 PRO 2 HD1 PRO 2 -17.425 -18.814 -22.229 19 H LYS 3 HN LYS 3 -18.371 -13.871 -24.881 20 HA LYS 3 HA LYS 3 -16.198 -12.365 -23.553 21 HB2 LYS 3 HB2 LYS 3 -16.161 -11.161 -25.896 22 HB3 LYS 3 HB1 LYS 3 -15.275 -12.669 -25.659 23 HG2 LYS 3 HG2 LYS 3 -17.242 -13.927 -26.529 24 HG3 LYS 3 HG1 LYS 3 -18.053 -12.394 -26.847 25 HD2 LYS 3 HD2 LYS 3 -15.304 -12.849 -27.961 26 HD3 LYS 3 HD1 LYS 3 -16.692 -13.580 -28.768 27 HE2 LYS 3 HE2 LYS 3 -17.389 -11.592 -29.592 28 HE3 LYS 3 HE1 LYS 3 -17.157 -10.781 -28.043 29 HZ1 LYS 3 HZ1 LYS 3 -14.904 -11.513 -29.820 30 HZ2 LYS 3 HZ2 LYS 3 -14.885 -10.457 -28.489 31 HZ3 LYS 3 HZ3 LYS 3 -15.694 -10.016 -29.916 32 H HIS 4 HN HIS 4 -16.657 -10.252 -22.997 33 HA HIS 4 HA HIS 4 -19.369 -9.289 -23.681 34 HB2 HIS 4 HB2 HIS 4 -18.814 -10.097 -21.221 35 HB3 HIS 4 HB1 HIS 4 -18.084 -8.495 -21.104 36 HD1 HIS 4 HD1 HIS 4 -20.929 -8.677 -23.428 37 HD2 HIS 4 HD2 HIS 4 -20.384 -7.861 -19.377 38 HE1 HIS 4 HE1 HIS 4 -23.066 -7.582 -22.623 39 H GLU 5 HN GLU 5 -19.407 -7.383 -24.669 40 HA GLU 5 HA GLU 5 -16.982 -5.702 -24.547 41 HB2 GLU 5 HB2 GLU 5 -19.156 -5.828 -26.652 42 HB3 GLU 5 HB1 GLU 5 -17.761 -4.750 -26.690 43 HG2 GLU 5 HG2 GLU 5 -17.183 -6.640 -28.045 44 HG3 GLU 5 HG1 GLU 5 -16.300 -6.824 -26.531 45 H PHE 6 HN PHE 6 -17.109 -3.754 -23.625 46 HA PHE 6 HA PHE 6 -19.793 -2.593 -23.163 47 HB2 PHE 6 HB2 PHE 6 -17.710 -3.309 -21.253 48 HB3 PHE 6 HB1 PHE 6 -18.145 -1.603 -21.144 49 HD1 PHE 6 HD1 PHE 6 -20.176 -4.626 -22.031 50 HD2 PHE 6 HD2 PHE 6 -19.587 -1.350 -19.318 51 HE1 PHE 6 HE1 PHE 6 -22.259 -5.242 -20.835 52 HE2 PHE 6 HE2 PHE 6 -21.671 -1.965 -18.123 53 HZ PHE 6 HZ PHE 6 -23.008 -3.911 -18.882 54 H SER 7 HN SER 7 -20.012 -0.423 -23.534 55 HA SER 7 HA SER 7 -17.656 0.938 -24.687 56 HB2 SER 7 HB2 SER 7 -19.265 0.904 -26.375 57 HB3 SER 7 HB1 SER 7 -20.601 1.091 -25.242 58 HG SER 7 HG SER 7 -20.182 3.034 -26.346 59 H VAL 8 HN VAL 8 -16.725 2.228 -23.219 60 HA VAL 8 HA VAL 8 -18.476 4.009 -21.646 61 HB VAL 8 HB VAL 8 -17.691 2.294 -20.128 62 HG11 VAL 8 HG11 VAL 8 -15.585 1.995 -21.776 63 HG12 VAL 8 HG12 VAL 8 -15.548 1.464 -20.095 64 HG13 VAL 8 HG13 VAL 8 -14.829 3.010 -20.547 65 HG21 VAL 8 HG21 VAL 8 -17.282 3.853 -18.545 66 HG22 VAL 8 HG22 VAL 8 -17.214 5.046 -19.841 67 HG23 VAL 8 HG23 VAL 8 -15.734 4.272 -19.275 68 H ASP 9 HN ASP 9 -17.883 6.114 -21.604 69 HA ASP 9 HA ASP 9 -15.606 6.909 -23.248 70 HB2 ASP 9 HB2 ASP 9 -18.094 8.147 -22.306 71 HB3 ASP 9 HB1 ASP 9 -16.701 9.224 -22.231 72 H MET 10 HN MET 10 -13.662 7.004 -22.307 73 HA MET 10 HA MET 10 -13.316 7.157 -19.474 74 HB2 MET 10 HB2 MET 10 -11.356 7.406 -21.761 75 HB3 MET 10 HB1 MET 10 -10.889 7.360 -20.061 76 HG2 MET 10 HG2 MET 10 -11.057 5.117 -20.033 77 HG3 MET 10 HG1 MET 10 -12.721 5.202 -20.612 78 HE1 MET 10 HE1 MET 10 -9.148 5.413 -21.237 79 HE2 MET 10 HE2 MET 10 -8.823 4.937 -22.902 80 HE3 MET 10 HE3 MET 10 -9.225 3.709 -21.703 81 H THR 11 HN THR 11 -13.522 8.927 -18.288 82 HA THR 11 HA THR 11 -12.900 11.544 -19.512 83 HB THR 11 HB THR 11 -14.339 12.490 -17.707 84 HG1 THR 11 HG1 THR 11 -14.193 9.906 -16.898 85 HG21 THR 11 HG21 THR 11 -15.079 11.359 -20.079 86 HG22 THR 11 HG22 THR 11 -16.178 12.248 -19.025 87 HG23 THR 11 HG23 THR 11 -16.117 10.488 -18.951 88 H CYS 12 HN CYS 12 -12.133 9.309 -16.987 89 HA CYS 12 HA CYS 12 -10.379 11.285 -15.678 90 HB2 CYS 12 HB2 CYS 12 -11.795 8.833 -14.757 91 HB3 CYS 12 HB1 CYS 12 -10.246 9.220 -14.006 92 HG CYS 12 HG CYS 12 -12.105 11.637 -14.102 93 H GLY 13 HN GLY 13 -9.836 9.846 -18.240 94 HA2 GLY 13 HA2 GLY 13 -8.282 7.850 -18.630 95 HA3 GLY 13 HA1 GLY 13 -7.586 9.423 -19.002 96 H GLY 14 HN GLY 14 -7.010 10.503 -16.613 97 HA2 GLY 14 HA2 GLY 14 -4.644 9.165 -15.815 98 HA3 GLY 14 HA1 GLY 14 -5.374 10.542 -14.995 99 H CYS 15 HN CYS 15 -7.703 9.714 -14.041 100 HA CYS 15 HA CYS 15 -6.928 7.779 -12.010 101 HB2 CYS 15 HB2 CYS 15 -8.513 10.039 -11.976 102 HB3 CYS 15 HB1 CYS 15 -9.694 8.728 -11.939 103 HG CYS 15 HG CYS 15 -7.330 8.732 -9.895 104 H ALA 16 HN ALA 16 -9.248 8.030 -14.680 105 HA ALA 16 HA ALA 16 -10.803 5.768 -14.173 106 HB1 ALA 16 HB1 ALA 16 -10.816 5.664 -16.807 107 HB2 ALA 16 HB2 ALA 16 -9.971 7.205 -16.667 108 HB3 ALA 16 HB3 ALA 16 -11.579 7.015 -15.967 109 H GLU 17 HN GLU 17 -7.560 6.052 -15.502 110 HA GLU 17 HA GLU 17 -7.306 3.401 -16.476 111 HB2 GLU 17 HB2 GLU 17 -5.460 5.636 -15.817 112 HB3 GLU 17 HB1 GLU 17 -4.762 4.018 -15.893 113 HG2 GLU 17 HG2 GLU 17 -5.838 3.724 -18.139 114 HG3 GLU 17 HG1 GLU 17 -6.355 5.406 -18.065 115 H ALA 18 HN ALA 18 -6.462 4.905 -13.366 116 HA ALA 18 HA ALA 18 -5.394 2.543 -12.192 117 HB1 ALA 18 HB1 ALA 18 -5.004 4.897 -11.375 118 HB2 ALA 18 HB2 ALA 18 -5.461 3.753 -10.114 119 HB3 ALA 18 HB3 ALA 18 -6.653 4.885 -10.750 120 H VAL 19 HN VAL 19 -8.597 3.834 -12.584 121 HA VAL 19 HA VAL 19 -9.934 2.303 -10.611 122 HB VAL 19 HB VAL 19 -10.784 3.738 -13.107 123 HG11 VAL 19 HG11 VAL 19 -13.160 3.105 -12.164 124 HG12 VAL 19 HG12 VAL 19 -12.310 1.706 -11.512 125 HG13 VAL 19 HG13 VAL 19 -12.324 1.997 -13.251 126 HG21 VAL 19 HG21 VAL 19 -10.470 5.149 -11.205 127 HG22 VAL 19 HG22 VAL 19 -11.257 3.995 -10.129 128 HG23 VAL 19 HG23 VAL 19 -12.210 4.889 -11.313 129 H SER 20 HN SER 20 -9.088 1.687 -13.984 130 HA SER 20 HA SER 20 -10.604 -0.622 -14.425 131 HB2 SER 20 HB2 SER 20 -7.894 0.190 -15.490 132 HB3 SER 20 HB1 SER 20 -8.799 -1.200 -16.085 133 HG SER 20 HG SER 20 -9.047 1.034 -17.100 134 H ARG 21 HN ARG 21 -7.512 -0.169 -12.797 135 HA ARG 21 HA ARG 21 -6.689 -2.837 -12.588 136 HB2 ARG 21 HB2 ARG 21 -6.302 -0.479 -10.734 137 HB3 ARG 21 HB1 ARG 21 -5.510 -2.037 -10.493 138 HG2 ARG 21 HG2 ARG 21 -4.653 -1.818 -12.891 139 HG3 ARG 21 HG1 ARG 21 -5.197 -0.141 -12.831 140 HD2 ARG 21 HD2 ARG 21 -3.835 -0.059 -10.595 141 HD3 ARG 21 HD1 ARG 21 -3.025 -1.481 -11.244 142 HE ARG 21 HE ARG 21 -2.790 1.245 -12.220 143 HH11 ARG 21 HH21 ARG 21 -2.430 -2.138 -12.858 144 HH12 ARG 21 HH22 ARG 21 -1.243 -1.917 -14.100 145 HH21 ARG 21 HH11 ARG 21 -1.230 1.541 -13.843 146 HH22 ARG 21 HH12 ARG 21 -0.561 0.166 -14.656 147 H VAL 22 HN VAL 22 -8.884 -0.926 -10.586 148 HA VAL 22 HA VAL 22 -9.305 -2.817 -8.544 149 HB VAL 22 HB VAL 22 -10.217 -0.236 -9.147 150 HG11 VAL 22 HG11 VAL 22 -12.583 -2.077 -8.708 151 HG12 VAL 22 HG12 VAL 22 -12.176 -1.361 -10.265 152 HG13 VAL 22 HG13 VAL 22 -12.619 -0.326 -8.911 153 HG21 VAL 22 HG21 VAL 22 -11.197 -0.409 -6.841 154 HG22 VAL 22 HG22 VAL 22 -9.536 -0.992 -6.943 155 HG23 VAL 22 HG23 VAL 22 -10.871 -2.142 -6.882 156 H LEU 23 HN LEU 23 -10.328 -2.764 -11.818 157 HA LEU 23 HA LEU 23 -12.759 -4.148 -11.690 158 HB2 LEU 23 HB2 LEU 23 -11.577 -3.125 -13.757 159 HB3 LEU 23 HB1 LEU 23 -10.728 -4.664 -13.855 160 HG LEU 23 HG LEU 23 -13.685 -4.805 -13.519 161 HD11 LEU 23 HD11 LEU 23 -13.953 -4.540 -16.016 162 HD12 LEU 23 HD12 LEU 23 -12.321 -3.868 -16.056 163 HD13 LEU 23 HD13 LEU 23 -13.595 -3.042 -15.161 164 HD21 LEU 23 HD21 LEU 23 -13.408 -6.850 -14.543 165 HD22 LEU 23 HD22 LEU 23 -11.770 -6.647 -13.921 166 HD23 LEU 23 HD23 LEU 23 -12.129 -6.262 -15.604 167 H ASN 24 HN ASN 24 -9.446 -5.294 -11.446 168 HA ASN 24 HA ASN 24 -9.809 -8.013 -11.870 169 HB2 ASN 24 HB2 ASN 24 -7.782 -8.340 -10.698 170 HB3 ASN 24 HB1 ASN 24 -7.642 -6.735 -11.407 171 HD21 ASN 24 HD21 ASN 24 -7.108 -5.078 -9.972 172 HD22 ASN 24 HD22 ASN 24 -7.258 -5.177 -8.284 173 H LYS 25 HN LYS 25 -10.602 -6.041 -9.069 174 HA LYS 25 HA LYS 25 -11.113 -8.186 -7.270 175 HB2 LYS 25 HB2 LYS 25 -10.865 -6.213 -6.119 176 HB3 LYS 25 HB1 LYS 25 -11.696 -5.263 -7.351 177 HG2 LYS 25 HG2 LYS 25 -13.848 -6.082 -6.638 178 HG3 LYS 25 HG1 LYS 25 -13.102 -7.264 -5.563 179 HD2 LYS 25 HD2 LYS 25 -12.180 -5.472 -4.177 180 HD3 LYS 25 HD1 LYS 25 -12.832 -4.258 -5.280 181 HE2 LYS 25 HE2 LYS 25 -14.863 -6.165 -4.385 182 HE3 LYS 25 HE1 LYS 25 -14.133 -5.274 -3.050 183 HZ1 LYS 25 HZ1 LYS 25 -15.874 -3.934 -3.771 184 HZ2 LYS 25 HZ2 LYS 25 -15.550 -4.212 -5.415 185 HZ3 LYS 25 HZ3 LYS 25 -14.508 -3.235 -4.494 186 H LEU 26 HN LEU 26 -13.242 -6.255 -9.389 187 HA LEU 26 HA LEU 26 -15.588 -7.756 -8.627 188 HB2 LEU 26 HB2 LEU 26 -15.193 -5.257 -9.630 189 HB3 LEU 26 HB1 LEU 26 -15.669 -6.133 -11.085 190 HG LEU 26 HG LEU 26 -17.673 -5.284 -10.056 191 HD11 LEU 26 HD11 LEU 26 -18.911 -7.248 -10.037 192 HD12 LEU 26 HD12 LEU 26 -17.701 -8.123 -9.098 193 HD13 LEU 26 HD13 LEU 26 -17.432 -7.811 -10.812 194 HD21 LEU 26 HD21 LEU 26 -16.263 -5.549 -7.682 195 HD22 LEU 26 HD22 LEU 26 -17.500 -6.799 -7.552 196 HD23 LEU 26 HD23 LEU 26 -17.968 -5.119 -7.813 197 H GLY 27 HN GLY 27 -13.427 -7.611 -11.433 198 HA2 GLY 27 HA2 GLY 27 -14.930 -9.787 -12.711 199 HA3 GLY 27 HA1 GLY 27 -13.721 -8.774 -13.491 200 H GLY 28 HN GLY 28 -11.456 -8.987 -12.411 201 HA2 GLY 28 HA2 GLY 28 -9.627 -10.325 -11.972 202 HA3 GLY 28 HA1 GLY 28 -10.731 -11.400 -11.115 203 H VAL 29 HN VAL 29 -11.150 -10.491 -14.457 204 HA VAL 29 HA VAL 29 -10.395 -13.225 -15.306 205 HB VAL 29 HB VAL 29 -12.262 -13.116 -16.923 206 HG11 VAL 29 HG11 VAL 29 -12.468 -13.279 -14.035 207 HG12 VAL 29 HG12 VAL 29 -13.317 -14.219 -15.261 208 HG13 VAL 29 HG13 VAL 29 -13.972 -12.671 -14.727 209 HG21 VAL 29 HG21 VAL 29 -12.518 -10.759 -17.253 210 HG22 VAL 29 HG22 VAL 29 -12.728 -10.471 -15.525 211 HG23 VAL 29 HG23 VAL 29 -13.992 -11.290 -16.443 212 H LYS 30 HN LYS 30 -10.533 -13.129 -17.897 213 HA LYS 30 HA LYS 30 -8.279 -11.588 -18.698 214 HB2 LYS 30 HB2 LYS 30 -10.230 -13.400 -20.073 215 HB3 LYS 30 HB1 LYS 30 -9.153 -12.396 -21.044 216 HG2 LYS 30 HG2 LYS 30 -7.201 -13.318 -19.867 217 HG3 LYS 30 HG1 LYS 30 -8.263 -14.307 -18.864 218 HD2 LYS 30 HD2 LYS 30 -8.237 -15.906 -20.443 219 HD3 LYS 30 HD1 LYS 30 -8.997 -14.782 -21.571 220 HE2 LYS 30 HE2 LYS 30 -6.698 -13.857 -22.059 221 HE3 LYS 30 HE1 LYS 30 -6.032 -15.181 -21.105 222 HZ1 LYS 30 HZ1 LYS 30 -7.490 -15.296 -23.662 223 HZ2 LYS 30 HZ2 LYS 30 -7.466 -16.645 -22.629 224 HZ3 LYS 30 HZ3 LYS 30 -6.012 -16.014 -23.241 225 H TYR 31 HN TYR 31 -8.207 -9.531 -19.345 226 HA TYR 31 HA TYR 31 -10.447 -8.377 -20.824 227 HB2 TYR 31 HB2 TYR 31 -10.900 -6.618 -19.352 228 HB3 TYR 31 HB1 TYR 31 -10.718 -7.999 -18.270 229 HD1 TYR 31 HD2 TYR 31 -8.291 -8.450 -17.373 230 HD2 TYR 31 HD1 TYR 31 -9.617 -4.697 -18.988 231 HE1 TYR 31 HE2 TYR 31 -6.437 -7.291 -16.204 232 HE2 TYR 31 HE1 TYR 31 -7.762 -3.538 -17.819 233 HH TYR 31 HH TYR 31 -6.005 -4.909 -15.351 234 H ASP 32 HN ASP 32 -9.911 -6.387 -21.894 235 HA ASP 32 HA ASP 32 -7.051 -5.696 -21.950 236 HB2 ASP 32 HB2 ASP 32 -7.959 -5.508 -24.614 237 HB3 ASP 32 HB1 ASP 32 -6.774 -6.638 -23.963 238 H ILE 33 HN ILE 33 -6.614 -3.550 -22.543 239 HA ILE 33 HA ILE 33 -8.996 -1.801 -22.708 240 HB ILE 33 HB ILE 33 -7.099 -0.138 -21.769 241 HG12 ILE 33 HG12 ILE 33 -6.472 -2.732 -20.357 242 HG13 ILE 33 HG11 ILE 33 -5.535 -2.203 -21.755 243 HG21 ILE 33 HG21 ILE 33 -8.939 -2.033 -20.303 244 HG22 ILE 33 HG22 ILE 33 -9.190 -0.325 -20.660 245 HG23 ILE 33 HG23 ILE 33 -8.000 -0.807 -19.449 246 HD11 ILE 33 HD11 ILE 33 -4.878 -1.500 -19.247 247 HD12 ILE 33 HD12 ILE 33 -6.004 -0.192 -19.608 248 HD13 ILE 33 HD13 ILE 33 -4.586 -0.440 -20.627 249 H ASP 34 HN ASP 34 -9.195 -0.849 -24.640 250 HA ASP 34 HA ASP 34 -6.727 -0.215 -26.148 251 HB2 ASP 34 HB2 ASP 34 -8.551 -0.148 -28.086 252 HB3 ASP 34 HB1 ASP 34 -7.778 -1.655 -27.598 253 H LEU 35 HN LEU 35 -6.360 1.863 -25.521 254 HA LEU 35 HA LEU 35 -8.325 3.822 -25.038 255 HB2 LEU 35 HB2 LEU 35 -5.743 4.824 -26.029 256 HB3 LEU 35 HB1 LEU 35 -6.581 5.156 -24.515 257 HG LEU 35 HG LEU 35 -4.945 2.692 -25.174 258 HD11 LEU 35 HD11 LEU 35 -3.694 3.542 -23.104 259 HD12 LEU 35 HD12 LEU 35 -4.594 5.046 -23.309 260 HD13 LEU 35 HD13 LEU 35 -3.502 4.491 -24.578 261 HD21 LEU 35 HD21 LEU 35 -5.603 2.700 -22.454 262 HD22 LEU 35 HD22 LEU 35 -6.279 1.633 -23.685 263 HD23 LEU 35 HD23 LEU 35 -7.108 3.132 -23.265 264 HA PRO 36 HA PRO 36 -7.116 5.263 -29.609 265 HB2 PRO 36 HB2 PRO 36 -7.066 2.523 -30.774 266 HB3 PRO 36 HB1 PRO 36 -6.064 3.936 -31.160 267 HG2 PRO 36 HG2 PRO 36 -5.115 1.879 -29.750 268 HG3 PRO 36 HG1 PRO 36 -4.613 3.548 -29.432 269 HD2 PRO 36 HD2 PRO 36 -6.443 1.800 -27.851 270 HD3 PRO 36 HD1 PRO 36 -5.357 3.094 -27.299 271 H ASN 37 HN ASN 37 -9.120 2.479 -28.785 272 HA ASN 37 HA ASN 37 -11.186 3.438 -30.660 273 HB2 ASN 37 HB2 ASN 37 -10.449 0.776 -29.578 274 HB3 ASN 37 HB1 ASN 37 -12.167 1.082 -29.824 275 HD21 ASN 37 HD21 ASN 37 -9.491 -0.128 -31.402 276 HD22 ASN 37 HD22 ASN 37 -9.955 0.184 -33.005 277 H LYS 38 HN LYS 38 -10.334 3.670 -27.459 278 HA LYS 38 HA LYS 38 -11.465 4.220 -25.529 279 HB2 LYS 38 HB2 LYS 38 -13.660 5.189 -27.364 280 HB3 LYS 38 HB1 LYS 38 -13.229 5.801 -25.767 281 HG2 LYS 38 HG2 LYS 38 -10.855 6.086 -27.092 282 HG3 LYS 38 HG1 LYS 38 -12.009 6.376 -28.394 283 HD2 LYS 38 HD2 LYS 38 -13.188 7.874 -26.534 284 HD3 LYS 38 HD1 LYS 38 -11.548 7.940 -25.889 285 HE2 LYS 38 HE2 LYS 38 -10.841 8.524 -28.314 286 HE3 LYS 38 HE1 LYS 38 -12.548 8.879 -28.573 287 HZ1 LYS 38 HZ1 LYS 38 -12.483 10.448 -26.756 288 HZ2 LYS 38 HZ2 LYS 38 -11.293 10.845 -27.902 289 HZ3 LYS 38 HZ3 LYS 38 -10.855 10.080 -26.449 290 H LYS 39 HN LYS 39 -11.787 1.566 -26.443 291 HA LYS 39 HA LYS 39 -14.458 0.969 -25.339 292 HB2 LYS 39 HB2 LYS 39 -14.929 0.466 -27.544 293 HB3 LYS 39 HB1 LYS 39 -13.255 0.057 -27.920 294 HG2 LYS 39 HG2 LYS 39 -13.432 -2.046 -26.744 295 HG3 LYS 39 HG1 LYS 39 -15.028 -1.620 -26.125 296 HD2 LYS 39 HD2 LYS 39 -15.686 -2.888 -27.933 297 HD3 LYS 39 HD1 LYS 39 -15.533 -1.327 -28.740 298 HE2 LYS 39 HE2 LYS 39 -13.005 -2.108 -29.016 299 HE3 LYS 39 HE1 LYS 39 -13.726 -3.711 -28.861 300 HZ1 LYS 39 HZ1 LYS 39 -15.408 -2.647 -30.582 301 HZ2 LYS 39 HZ2 LYS 39 -13.977 -3.418 -31.077 302 HZ3 LYS 39 HZ3 LYS 39 -14.041 -1.723 -30.975 303 H VAL 40 HN VAL 40 -14.599 -1.046 -24.230 304 HA VAL 40 HA VAL 40 -11.996 -2.296 -23.606 305 HB VAL 40 HB VAL 40 -13.502 -2.537 -21.286 306 HG11 VAL 40 HG11 VAL 40 -11.251 -0.745 -22.179 307 HG12 VAL 40 HG12 VAL 40 -11.189 -2.150 -21.115 308 HG13 VAL 40 HG13 VAL 40 -11.882 -0.635 -20.536 309 HG21 VAL 40 HG21 VAL 40 -13.778 0.256 -22.447 310 HG22 VAL 40 HG22 VAL 40 -14.159 -0.190 -20.784 311 HG23 VAL 40 HG23 VAL 40 -15.099 -0.863 -22.115 312 H CYS 41 HN CYS 41 -12.017 -4.394 -24.039 313 HA CYS 41 HA CYS 41 -14.605 -5.816 -24.120 314 HB2 CYS 41 HB2 CYS 41 -13.005 -5.742 -26.149 315 HB3 CYS 41 HB1 CYS 41 -12.000 -6.857 -25.223 316 HG CYS 41 HG CYS 41 -13.856 -8.107 -26.770 317 H ILE 42 HN ILE 42 -15.045 -6.927 -22.319 318 HA ILE 42 HA ILE 42 -12.797 -8.268 -20.943 319 HB ILE 42 HB ILE 42 -13.355 -6.660 -19.389 320 HG12 ILE 42 HG12 ILE 42 -15.464 -8.753 -18.779 321 HG13 ILE 42 HG11 ILE 42 -13.742 -8.993 -18.480 322 HG21 ILE 42 HG21 ILE 42 -16.103 -6.876 -20.585 323 HG22 ILE 42 HG22 ILE 42 -15.082 -5.450 -20.402 324 HG23 ILE 42 HG23 ILE 42 -15.891 -6.141 -18.996 325 HD11 ILE 42 HD11 ILE 42 -15.696 -7.468 -16.938 326 HD12 ILE 42 HD12 ILE 42 -14.271 -6.508 -17.341 327 HD13 ILE 42 HD13 ILE 42 -14.091 -8.030 -16.468 328 H GLU 43 HN GLU 43 -13.025 -10.351 -20.430 329 HA GLU 43 HA GLU 43 -15.619 -11.639 -21.034 330 HB2 GLU 43 HB2 GLU 43 -14.162 -12.697 -22.494 331 HB3 GLU 43 HB1 GLU 43 -12.775 -12.488 -21.427 332 HG2 GLU 43 HG2 GLU 43 -13.554 -14.225 -19.949 333 HG3 GLU 43 HG1 GLU 43 -15.093 -14.333 -20.803 334 H SER 44 HN SER 44 -16.696 -12.135 -19.220 335 HA SER 44 HA SER 44 -15.134 -13.107 -16.909 336 HB2 SER 44 HB2 SER 44 -16.287 -10.644 -16.932 337 HB3 SER 44 HB1 SER 44 -17.602 -11.618 -16.281 338 HG SER 44 HG SER 44 -16.013 -12.476 -14.790 339 H GLU 45 HN GLU 45 -16.446 -14.303 -15.338 340 HA GLU 45 HA GLU 45 -18.089 -16.246 -16.678 341 HB2 GLU 45 HB2 GLU 45 -17.427 -15.909 -13.745 342 HB3 GLU 45 HB1 GLU 45 -18.122 -17.343 -14.496 343 HG2 GLU 45 HG2 GLU 45 -16.063 -17.343 -16.029 344 HG3 GLU 45 HG1 GLU 45 -15.364 -16.185 -14.897 345 H HIS 46 HN HIS 46 -18.623 -13.295 -15.041 346 HA HIS 46 HA HIS 46 -21.451 -13.975 -14.547 347 HB2 HIS 46 HB2 HIS 46 -20.424 -11.391 -13.572 348 HB3 HIS 46 HB1 HIS 46 -21.418 -12.595 -12.750 349 HD1 HIS 46 HD1 HIS 46 -19.603 -15.045 -12.871 350 HD2 HIS 46 HD2 HIS 46 -18.203 -11.237 -11.911 351 HE1 HIS 46 HE1 HIS 46 -17.451 -15.378 -11.577 352 H SER 47 HN SER 47 -19.405 -11.341 -15.782 353 HA SER 47 HA SER 47 -19.785 -9.737 -17.382 354 HB2 SER 47 HB2 SER 47 -20.869 -10.423 -19.347 355 HB3 SER 47 HB1 SER 47 -20.302 -11.939 -18.651 356 HG SER 47 HG SER 47 -22.737 -11.366 -19.303 357 H MET 48 HN MET 48 -20.889 -7.862 -17.370 358 HA MET 48 HA MET 48 -22.624 -6.363 -17.091 359 HB2 MET 48 HB2 MET 48 -23.967 -8.672 -17.763 360 HB3 MET 48 HB1 MET 48 -24.659 -8.272 -16.191 361 HG2 MET 48 HG2 MET 48 -26.011 -7.033 -17.641 362 HG3 MET 48 HG1 MET 48 -24.799 -5.844 -17.165 363 HE1 MET 48 HE1 MET 48 -25.926 -5.295 -20.833 364 HE2 MET 48 HE2 MET 48 -26.645 -5.578 -19.250 365 HE3 MET 48 HE3 MET 48 -26.622 -6.874 -20.443 366 H ASP 49 HN ASP 49 -20.837 -6.680 -15.114 367 HA ASP 49 HA ASP 49 -22.255 -5.800 -12.813 368 HB2 ASP 49 HB2 ASP 49 -22.350 -8.484 -12.931 369 HB3 ASP 49 HB1 ASP 49 -20.783 -8.290 -12.146 370 H THR 50 HN THR 50 -19.296 -7.257 -14.061 371 HA THR 50 HA THR 50 -17.591 -5.932 -12.151 372 HB THR 50 HB THR 50 -16.561 -7.870 -12.812 373 HG1 THR 50 HG1 THR 50 -15.455 -6.868 -15.033 374 HG21 THR 50 HG21 THR 50 -17.885 -7.376 -15.479 375 HG22 THR 50 HG22 THR 50 -18.123 -8.728 -14.368 376 HG23 THR 50 HG23 THR 50 -16.628 -8.596 -15.290 377 H LEU 51 HN LEU 51 -18.471 -5.454 -15.545 378 HA LEU 51 HA LEU 51 -16.587 -3.437 -16.125 379 HB2 LEU 51 HB2 LEU 51 -19.188 -3.292 -17.513 380 HB3 LEU 51 HB1 LEU 51 -17.555 -3.392 -18.169 381 HG LEU 51 HG LEU 51 -17.640 -5.836 -17.143 382 HD11 LEU 51 HD11 LEU 51 -20.157 -4.984 -16.443 383 HD12 LEU 51 HD12 LEU 51 -19.685 -6.675 -16.612 384 HD13 LEU 51 HD13 LEU 51 -20.474 -5.841 -17.950 385 HD21 LEU 51 HD21 LEU 51 -17.642 -4.946 -19.643 386 HD22 LEU 51 HD22 LEU 51 -19.320 -5.483 -19.604 387 HD23 LEU 51 HD23 LEU 51 -18.021 -6.633 -19.298 388 H LEU 52 HN LEU 52 -20.069 -3.078 -15.376 389 HA LEU 52 HA LEU 52 -20.145 -0.297 -15.414 390 HB2 LEU 52 HB2 LEU 52 -22.098 -0.697 -13.727 391 HB3 LEU 52 HB1 LEU 52 -22.235 -1.281 -15.384 392 HG LEU 52 HG LEU 52 -20.880 -3.225 -13.693 393 HD11 LEU 52 HD11 LEU 52 -23.104 -3.812 -12.500 394 HD12 LEU 52 HD12 LEU 52 -23.565 -2.144 -12.830 395 HD13 LEU 52 HD13 LEU 52 -22.150 -2.487 -11.835 396 HD21 LEU 52 HD21 LEU 52 -23.535 -3.352 -15.155 397 HD22 LEU 52 HD22 LEU 52 -22.501 -4.707 -14.709 398 HD23 LEU 52 HD23 LEU 52 -21.972 -3.566 -15.943 399 H ALA 53 HN ALA 53 -19.770 -2.394 -12.532 400 HA ALA 53 HA ALA 53 -19.601 -0.349 -10.645 401 HB1 ALA 53 HB1 ALA 53 -19.740 -2.884 -10.275 402 HB2 ALA 53 HB2 ALA 53 -18.745 -1.960 -9.149 403 HB3 ALA 53 HB3 ALA 53 -17.985 -2.884 -10.446 404 H THR 54 HN THR 54 -16.953 -1.935 -12.421 405 HA THR 54 HA THR 54 -14.895 -0.354 -11.255 406 HB THR 54 HB THR 54 -14.910 -1.882 -13.863 407 HG1 THR 54 HG1 THR 54 -15.274 -3.308 -12.257 408 HG21 THR 54 HG21 THR 54 -13.036 -0.066 -12.882 409 HG22 THR 54 HG22 THR 54 -12.745 -1.300 -14.106 410 HG23 THR 54 HG23 THR 54 -12.395 -1.638 -12.412 411 H LEU 55 HN LEU 55 -16.532 -0.202 -14.416 412 HA LEU 55 HA LEU 55 -15.121 2.031 -15.382 413 HB2 LEU 55 HB2 LEU 55 -17.860 0.954 -16.074 414 HB3 LEU 55 HB1 LEU 55 -17.029 2.211 -16.986 415 HG LEU 55 HG LEU 55 -15.831 -0.517 -16.433 416 HD11 LEU 55 HD11 LEU 55 -17.175 0.497 -18.958 417 HD12 LEU 55 HD12 LEU 55 -17.874 -0.683 -17.847 418 HD13 LEU 55 HD13 LEU 55 -16.409 -1.078 -18.748 419 HD21 LEU 55 HD21 LEU 55 -15.036 1.916 -18.005 420 HD22 LEU 55 HD22 LEU 55 -14.500 0.324 -18.542 421 HD23 LEU 55 HD23 LEU 55 -14.054 0.910 -16.940 422 H LYS 56 HN LYS 56 -18.057 1.779 -13.434 423 HA LYS 56 HA LYS 56 -18.795 4.528 -13.643 424 HB2 LYS 56 HB2 LYS 56 -19.536 2.302 -11.758 425 HB3 LYS 56 HB1 LYS 56 -20.143 3.943 -11.533 426 HG2 LYS 56 HG2 LYS 56 -21.271 3.928 -13.625 427 HG3 LYS 56 HG1 LYS 56 -20.393 2.500 -14.175 428 HD2 LYS 56 HD2 LYS 56 -22.549 1.704 -13.546 429 HD3 LYS 56 HD1 LYS 56 -21.480 1.261 -12.213 430 HE2 LYS 56 HE2 LYS 56 -22.380 3.878 -11.644 431 HE3 LYS 56 HE1 LYS 56 -23.802 2.979 -12.172 432 HZ1 LYS 56 HZ1 LYS 56 -22.395 1.272 -10.530 433 HZ2 LYS 56 HZ2 LYS 56 -23.848 2.075 -10.168 434 HZ3 LYS 56 HZ3 LYS 56 -22.359 2.773 -9.742 435 H LYS 57 HN LYS 57 -16.628 2.760 -11.531 436 HA LYS 57 HA LYS 57 -16.408 4.290 -9.296 437 HB2 LYS 57 HB2 LYS 57 -14.690 2.496 -10.727 438 HB3 LYS 57 HB1 LYS 57 -13.735 3.836 -10.098 439 HG2 LYS 57 HG2 LYS 57 -13.864 2.042 -8.435 440 HG3 LYS 57 HG1 LYS 57 -14.736 3.461 -7.855 441 HD2 LYS 57 HD2 LYS 57 -16.716 2.138 -9.204 442 HD3 LYS 57 HD1 LYS 57 -15.760 0.790 -8.587 443 HE2 LYS 57 HE2 LYS 57 -17.120 2.987 -7.032 444 HE3 LYS 57 HE1 LYS 57 -17.291 1.241 -6.846 445 HZ1 LYS 57 HZ1 LYS 57 -15.774 2.653 -5.250 446 HZ2 LYS 57 HZ2 LYS 57 -14.631 2.402 -6.483 447 HZ3 LYS 57 HZ3 LYS 57 -15.351 1.074 -5.704 448 H THR 58 HN THR 58 -14.995 5.119 -12.470 449 HA THR 58 HA THR 58 -13.915 7.596 -11.399 450 HB THR 58 HB THR 58 -12.485 7.169 -13.086 451 HG1 THR 58 HG1 THR 58 -14.773 8.007 -14.513 452 HG21 THR 58 HG21 THR 58 -13.063 5.630 -14.984 453 HG22 THR 58 HG22 THR 58 -14.676 5.460 -14.293 454 HG23 THR 58 HG23 THR 58 -13.266 4.900 -13.393 455 H GLY 59 HN GLY 59 -16.905 6.548 -12.463 456 HA2 GLY 59 HA2 GLY 59 -18.876 7.788 -12.581 457 HA3 GLY 59 HA1 GLY 59 -17.921 9.265 -12.551 458 H ALA 60 HN ALA 60 -16.842 6.956 -14.815 459 HA ALA 60 HA ALA 60 -17.530 8.676 -17.023 460 HB1 ALA 60 HB1 ALA 60 -15.472 7.654 -17.361 461 HB2 ALA 60 HB2 ALA 60 -16.534 6.614 -18.310 462 HB3 ALA 60 HB3 ALA 60 -16.015 6.110 -16.702 463 H THR 61 HN THR 61 -18.984 8.295 -18.672 464 HA THR 61 HA THR 61 -21.342 6.868 -18.043 465 HB THR 61 HB THR 61 -21.358 7.179 -20.806 466 HG1 THR 61 HG1 THR 61 -19.261 8.300 -20.269 467 HG21 THR 61 HG21 THR 61 -22.159 9.074 -18.584 468 HG22 THR 61 HG22 THR 61 -23.165 7.831 -19.325 469 HG23 THR 61 HG23 THR 61 -22.673 9.242 -20.262 470 H VAL 62 HN VAL 62 -21.835 4.783 -18.257 471 HA VAL 62 HA VAL 62 -20.050 3.091 -19.896 472 HB VAL 62 HB VAL 62 -20.094 2.621 -17.434 473 HG11 VAL 62 HG11 VAL 62 -22.872 1.548 -17.881 474 HG12 VAL 62 HG12 VAL 62 -22.632 3.221 -17.378 475 HG13 VAL 62 HG13 VAL 62 -22.057 1.903 -16.358 476 HG21 VAL 62 HG21 VAL 62 -21.326 0.433 -19.138 477 HG22 VAL 62 HG22 VAL 62 -20.325 0.215 -17.703 478 HG23 VAL 62 HG23 VAL 62 -19.619 0.873 -19.179 479 H SER 63 HN SER 63 -20.902 1.860 -21.488 480 HA SER 63 HA SER 63 -23.830 1.609 -21.660 481 HB2 SER 63 HB2 SER 63 -23.432 3.448 -23.108 482 HB3 SER 63 HB1 SER 63 -21.983 2.705 -23.780 483 HG SER 63 HG SER 63 -24.669 2.236 -24.315 484 H TYR 64 HN TYR 64 -24.328 -0.468 -21.858 485 HA TYR 64 HA TYR 64 -22.344 -2.432 -22.557 486 HB2 TYR 64 HB2 TYR 64 -23.814 -3.968 -21.709 487 HB3 TYR 64 HB1 TYR 64 -24.495 -2.531 -20.951 488 HD1 TYR 64 HD1 TYR 64 -24.743 -4.648 -24.024 489 HD2 TYR 64 HD2 TYR 64 -26.722 -1.894 -21.386 490 HE1 TYR 64 HE1 TYR 64 -26.877 -5.027 -25.228 491 HE2 TYR 64 HE2 TYR 64 -28.853 -2.272 -22.591 492 HH TYR 64 HH TYR 64 -29.911 -3.673 -24.062 493 H LEU 65 HN LEU 65 -21.958 -3.293 -24.494 494 HA LEU 65 HA LEU 65 -23.434 -2.329 -26.796 495 HB2 LEU 65 HB2 LEU 65 -20.945 -3.948 -26.382 496 HB3 LEU 65 HB1 LEU 65 -21.731 -3.938 -27.961 497 HG LEU 65 HG LEU 65 -21.408 -1.282 -26.696 498 HD11 LEU 65 HD11 LEU 65 -19.055 -2.951 -27.620 499 HD12 LEU 65 HD12 LEU 65 -19.267 -2.176 -26.050 500 HD13 LEU 65 HD13 LEU 65 -19.002 -1.192 -27.489 501 HD21 LEU 65 HD21 LEU 65 -21.222 -0.586 -28.915 502 HD22 LEU 65 HD22 LEU 65 -22.217 -2.031 -29.094 503 HD23 LEU 65 HD23 LEU 65 -20.487 -2.103 -29.434 504 H GLY 66 HN GLY 66 -22.757 -5.487 -25.296 505 HA2 GLY 66 HA2 GLY 66 -25.079 -6.756 -25.334 506 HA3 GLY 66 HA1 GLY 66 -24.710 -6.778 -27.056 507 H LEU 67 HN LEU 67 -24.935 -9.014 -25.130 508 HA LEU 67 HA LEU 67 -22.173 -10.038 -25.107 509 HB2 LEU 67 HB2 LEU 67 -23.993 -10.091 -23.118 510 HB3 LEU 67 HB1 LEU 67 -24.371 -11.625 -23.905 511 HG LEU 67 HG LEU 67 -21.560 -10.803 -23.132 512 HD11 LEU 67 HD11 LEU 67 -23.742 -12.147 -21.585 513 HD12 LEU 67 HD12 LEU 67 -22.480 -11.049 -21.022 514 HD13 LEU 67 HD13 LEU 67 -22.090 -12.732 -21.376 515 HD21 LEU 67 HD21 LEU 67 -21.410 -12.483 -24.766 516 HD22 LEU 67 HD22 LEU 67 -22.880 -13.284 -24.214 517 HD23 LEU 67 HD23 LEU 67 -21.398 -13.412 -23.267 518 H GLU 68 HN GLU 68 -21.535 -11.558 -26.498 519 HA GLU 68 HA GLU 68 -21.748 -12.672 -28.571 520 HB2 GLU 68 HB2 GLU 68 -21.650 -14.281 -26.598 521 HB3 GLU 68 HB1 GLU 68 -23.394 -14.464 -26.786 522 HG2 GLU 68 HG2 GLU 68 -22.842 -16.109 -28.254 523 HG3 GLU 68 HG1 GLU 68 -22.549 -14.774 -29.367 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -15.935 -20.735 -22.999 2 H2 MET 1 HT2 MET 1 -16.560 -19.764 -24.246 3 H3 MET 1 HT3 MET 1 -17.560 -20.249 -22.961 4 HA MET 1 HA MET 1 -16.802 -18.681 -21.563 5 HB2 MET 1 HB2 MET 1 -14.141 -18.943 -22.997 6 HB3 MET 1 HB1 MET 1 -14.434 -17.908 -21.598 7 HG2 MET 1 HG2 MET 1 -13.629 -19.816 -20.548 8 HG3 MET 1 HG1 MET 1 -15.361 -20.146 -20.534 9 HE1 MET 1 HE1 MET 1 -16.077 -22.287 -20.854 10 HE2 MET 1 HE2 MET 1 -14.541 -22.737 -20.117 11 HE3 MET 1 HE3 MET 1 -15.131 -23.628 -21.518 12 HA PRO 2 HA PRO 2 -17.907 -16.090 -25.271 13 HB2 PRO 2 HB2 PRO 2 -19.871 -15.051 -23.310 14 HB3 PRO 2 HB1 PRO 2 -20.128 -15.630 -24.966 15 HG2 PRO 2 HG2 PRO 2 -20.893 -17.036 -22.811 16 HG3 PRO 2 HG1 PRO 2 -20.356 -17.804 -24.315 17 HD2 PRO 2 HD2 PRO 2 -18.895 -17.512 -21.722 18 HD3 PRO 2 HD1 PRO 2 -18.822 -18.824 -22.920 19 H LYS 3 HN LYS 3 -17.413 -13.915 -25.608 20 HA LYS 3 HA LYS 3 -15.925 -12.619 -23.438 21 HB2 LYS 3 HB2 LYS 3 -16.123 -12.044 -26.402 22 HB3 LYS 3 HB1 LYS 3 -15.192 -11.063 -25.270 23 HG2 LYS 3 HG2 LYS 3 -14.311 -13.579 -24.647 24 HG3 LYS 3 HG1 LYS 3 -14.594 -13.731 -26.382 25 HD2 LYS 3 HD2 LYS 3 -13.165 -11.829 -26.843 26 HD3 LYS 3 HD1 LYS 3 -12.995 -11.486 -25.121 27 HE2 LYS 3 HE2 LYS 3 -11.421 -13.096 -24.835 28 HE3 LYS 3 HE1 LYS 3 -12.279 -14.244 -25.865 29 HZ1 LYS 3 HZ1 LYS 3 -10.834 -13.793 -27.460 30 HZ2 LYS 3 HZ2 LYS 3 -10.072 -12.614 -26.503 31 HZ3 LYS 3 HZ3 LYS 3 -11.379 -12.189 -27.501 32 H HIS 4 HN HIS 4 -16.354 -10.493 -22.750 33 HA HIS 4 HA HIS 4 -19.059 -9.512 -23.448 34 HB2 HIS 4 HB2 HIS 4 -18.655 -10.353 -21.066 35 HB3 HIS 4 HB1 HIS 4 -17.611 -8.949 -20.861 36 HD1 HIS 4 HD1 HIS 4 -19.616 -8.392 -19.027 37 HD2 HIS 4 HD2 HIS 4 -20.559 -7.969 -23.066 38 HE1 HIS 4 HE1 HIS 4 -21.688 -6.941 -19.131 39 H GLU 5 HN GLU 5 -19.237 -7.462 -24.190 40 HA GLU 5 HA GLU 5 -16.796 -5.790 -24.126 41 HB2 GLU 5 HB2 GLU 5 -18.773 -5.265 -26.252 42 HB3 GLU 5 HB1 GLU 5 -17.012 -5.319 -26.334 43 HG2 GLU 5 HG2 GLU 5 -17.222 -7.856 -26.057 44 HG3 GLU 5 HG1 GLU 5 -18.943 -7.644 -26.375 45 H PHE 6 HN PHE 6 -16.971 -3.841 -23.229 46 HA PHE 6 HA PHE 6 -19.681 -2.726 -22.824 47 HB2 PHE 6 HB2 PHE 6 -17.674 -3.427 -20.867 48 HB3 PHE 6 HB1 PHE 6 -17.987 -1.693 -20.818 49 HD1 PHE 6 HD1 PHE 6 -20.241 -4.563 -21.661 50 HD2 PHE 6 HD2 PHE 6 -19.405 -1.305 -18.991 51 HE1 PHE 6 HE1 PHE 6 -22.381 -4.981 -20.482 52 HE2 PHE 6 HE2 PHE 6 -21.545 -1.723 -17.810 53 HZ PHE 6 HZ PHE 6 -23.033 -3.561 -18.555 54 H SER 7 HN SER 7 -19.947 -0.580 -23.272 55 HA SER 7 HA SER 7 -17.643 0.779 -24.510 56 HB2 SER 7 HB2 SER 7 -19.800 0.426 -25.806 57 HB3 SER 7 HB1 SER 7 -20.552 1.571 -24.700 58 HG SER 7 HG SER 7 -19.784 2.690 -26.477 59 H VAL 8 HN VAL 8 -16.599 2.148 -23.209 60 HA VAL 8 HA VAL 8 -18.212 3.872 -21.431 61 HB VAL 8 HB VAL 8 -17.142 2.113 -20.084 62 HG11 VAL 8 HG11 VAL 8 -15.143 2.154 -21.896 63 HG12 VAL 8 HG12 VAL 8 -14.927 1.540 -20.257 64 HG13 VAL 8 HG13 VAL 8 -14.427 3.183 -20.657 65 HG21 VAL 8 HG21 VAL 8 -15.755 3.674 -18.622 66 HG22 VAL 8 HG22 VAL 8 -17.386 4.235 -18.986 67 HG23 VAL 8 HG23 VAL 8 -16.007 4.912 -19.851 68 H ASP 9 HN ASP 9 -17.798 5.981 -21.627 69 HA ASP 9 HA ASP 9 -15.732 6.866 -23.466 70 HB2 ASP 9 HB2 ASP 9 -18.187 7.820 -22.998 71 HB3 ASP 9 HB1 ASP 9 -17.301 8.804 -21.834 72 H MET 10 HN MET 10 -13.691 7.127 -22.782 73 HA MET 10 HA MET 10 -12.967 7.213 -20.040 74 HB2 MET 10 HB2 MET 10 -11.455 6.384 -21.801 75 HB3 MET 10 HB1 MET 10 -11.342 8.014 -22.464 76 HG2 MET 10 HG2 MET 10 -10.809 8.131 -19.646 77 HG3 MET 10 HG1 MET 10 -9.793 6.881 -20.365 78 HE1 MET 10 HE1 MET 10 -7.246 7.815 -21.394 79 HE2 MET 10 HE2 MET 10 -7.781 8.346 -22.986 80 HE3 MET 10 HE3 MET 10 -8.565 6.970 -22.214 81 H THR 11 HN THR 11 -13.268 8.840 -18.697 82 HA THR 11 HA THR 11 -13.147 11.605 -19.735 83 HB THR 11 HB THR 11 -14.486 10.591 -17.216 84 HG1 THR 11 HG1 THR 11 -15.255 10.343 -19.673 85 HG21 THR 11 HG21 THR 11 -15.328 12.799 -16.965 86 HG22 THR 11 HG22 THR 11 -14.819 13.259 -18.589 87 HG23 THR 11 HG23 THR 11 -13.614 12.999 -17.328 88 H CYS 12 HN CYS 12 -12.149 9.430 -17.146 89 HA CYS 12 HA CYS 12 -10.218 11.442 -16.189 90 HB2 CYS 12 HB2 CYS 12 -11.761 9.273 -14.905 91 HB3 CYS 12 HB1 CYS 12 -10.108 9.491 -14.330 92 HG CYS 12 HG CYS 12 -12.021 11.108 -13.154 93 H GLY 13 HN GLY 13 -9.710 10.035 -18.607 94 HA2 GLY 13 HA2 GLY 13 -8.381 7.845 -18.976 95 HA3 GLY 13 HA1 GLY 13 -7.551 9.346 -19.376 96 H GLY 14 HN GLY 14 -6.856 10.411 -17.016 97 HA2 GLY 14 HA2 GLY 14 -4.624 8.871 -16.199 98 HA3 GLY 14 HA1 GLY 14 -5.217 10.326 -15.402 99 H CYS 15 HN CYS 15 -7.666 9.677 -14.509 100 HA CYS 15 HA CYS 15 -7.064 7.786 -12.384 101 HB2 CYS 15 HB2 CYS 15 -8.745 10.078 -12.701 102 HB3 CYS 15 HB1 CYS 15 -9.744 8.708 -12.216 103 HG CYS 15 HG CYS 15 -7.565 10.031 -10.495 104 H ALA 16 HN ALA 16 -9.451 8.126 -15.008 105 HA ALA 16 HA ALA 16 -10.990 5.858 -14.483 106 HB1 ALA 16 HB1 ALA 16 -11.311 5.855 -17.043 107 HB2 ALA 16 HB2 ALA 16 -10.274 7.282 -17.040 108 HB3 ALA 16 HB3 ALA 16 -11.802 7.301 -16.160 109 H GLU 17 HN GLU 17 -7.834 6.167 -16.003 110 HA GLU 17 HA GLU 17 -7.664 3.576 -17.123 111 HB2 GLU 17 HB2 GLU 17 -6.036 5.132 -17.842 112 HB3 GLU 17 HB1 GLU 17 -5.592 5.556 -16.188 113 HG2 GLU 17 HG2 GLU 17 -4.280 3.694 -15.913 114 HG3 GLU 17 HG1 GLU 17 -5.296 2.697 -16.953 115 H ALA 18 HN ALA 18 -6.691 4.861 -13.955 116 HA ALA 18 HA ALA 18 -5.609 2.445 -12.949 117 HB1 ALA 18 HB1 ALA 18 -6.363 5.081 -11.881 118 HB2 ALA 18 HB2 ALA 18 -4.967 4.069 -11.507 119 HB3 ALA 18 HB3 ALA 18 -6.515 3.762 -10.719 120 H VAL 19 HN VAL 19 -8.841 3.716 -13.192 121 HA VAL 19 HA VAL 19 -10.116 1.993 -11.338 122 HB VAL 19 HB VAL 19 -11.026 3.687 -13.634 123 HG11 VAL 19 HG11 VAL 19 -13.377 2.918 -13.063 124 HG12 VAL 19 HG12 VAL 19 -12.645 1.571 -12.192 125 HG13 VAL 19 HG13 VAL 19 -12.400 1.733 -13.931 126 HG21 VAL 19 HG21 VAL 19 -12.489 4.549 -11.714 127 HG22 VAL 19 HG22 VAL 19 -10.755 4.827 -11.550 128 HG23 VAL 19 HG23 VAL 19 -11.527 3.521 -10.653 129 H SER 20 HN SER 20 -9.302 1.686 -14.757 130 HA SER 20 HA SER 20 -10.817 -0.572 -15.399 131 HB2 SER 20 HB2 SER 20 -9.445 0.835 -16.990 132 HB3 SER 20 HB1 SER 20 -8.020 -0.018 -16.403 133 HG SER 20 HG SER 20 -10.337 -1.276 -17.458 134 H ARG 21 HN ARG 21 -7.775 -0.273 -13.658 135 HA ARG 21 HA ARG 21 -7.065 -3.024 -13.677 136 HB2 ARG 21 HB2 ARG 21 -6.346 -0.667 -11.954 137 HB3 ARG 21 HB1 ARG 21 -5.830 -2.291 -11.495 138 HG2 ARG 21 HG2 ARG 21 -4.375 -2.479 -13.262 139 HG3 ARG 21 HG1 ARG 21 -5.386 -1.506 -14.331 140 HD2 ARG 21 HD2 ARG 21 -3.156 -0.468 -13.529 141 HD3 ARG 21 HD1 ARG 21 -4.605 0.525 -13.421 142 HE ARG 21 HE ARG 21 -4.491 0.376 -11.088 143 HH11 ARG 21 HH21 ARG 21 -2.268 -1.778 -12.639 144 HH12 ARG 21 HH22 ARG 21 -1.409 -2.157 -11.184 145 HH21 ARG 21 HH11 ARG 21 -3.368 -0.119 -9.180 146 HH22 ARG 21 HH12 ARG 21 -2.028 -1.215 -9.228 147 H VAL 22 HN VAL 22 -9.001 -1.016 -11.524 148 HA VAL 22 HA VAL 22 -9.446 -2.848 -9.455 149 HB VAL 22 HB VAL 22 -11.113 -0.572 -10.524 150 HG11 VAL 22 HG11 VAL 22 -12.780 -1.793 -9.464 151 HG12 VAL 22 HG12 VAL 22 -12.137 -0.874 -8.104 152 HG13 VAL 22 HG13 VAL 22 -11.651 -2.552 -8.340 153 HG21 VAL 22 HG21 VAL 22 -9.151 0.259 -9.502 154 HG22 VAL 22 HG22 VAL 22 -9.166 -0.990 -8.257 155 HG23 VAL 22 HG23 VAL 22 -10.348 0.318 -8.209 156 H LEU 23 HN LEU 23 -10.638 -2.825 -12.690 157 HA LEU 23 HA LEU 23 -13.096 -4.139 -12.367 158 HB2 LEU 23 HB2 LEU 23 -11.674 -3.232 -14.517 159 HB3 LEU 23 HB1 LEU 23 -11.527 -4.981 -14.709 160 HG LEU 23 HG LEU 23 -14.154 -3.562 -14.215 161 HD11 LEU 23 HD11 LEU 23 -12.874 -4.497 -16.796 162 HD12 LEU 23 HD12 LEU 23 -13.325 -2.845 -16.373 163 HD13 LEU 23 HD13 LEU 23 -14.576 -4.059 -16.643 164 HD21 LEU 23 HD21 LEU 23 -13.383 -6.385 -14.989 165 HD22 LEU 23 HD22 LEU 23 -15.032 -5.769 -15.097 166 HD23 LEU 23 HD23 LEU 23 -14.228 -5.868 -13.531 167 H ASN 24 HN ASN 24 -9.803 -5.360 -12.415 168 HA ASN 24 HA ASN 24 -10.362 -8.102 -12.682 169 HB2 ASN 24 HB2 ASN 24 -8.090 -6.659 -12.516 170 HB3 ASN 24 HB1 ASN 24 -8.146 -7.312 -10.879 171 HD21 ASN 24 HD21 ASN 24 -8.076 -8.258 -14.323 172 HD22 ASN 24 HD22 ASN 24 -7.535 -9.841 -14.040 173 H LYS 25 HN LYS 25 -10.527 -5.930 -9.934 174 HA LYS 25 HA LYS 25 -10.688 -7.917 -7.906 175 HB2 LYS 25 HB2 LYS 25 -10.141 -5.732 -7.186 176 HB3 LYS 25 HB1 LYS 25 -11.514 -5.020 -8.033 177 HG2 LYS 25 HG2 LYS 25 -13.014 -5.633 -6.406 178 HG3 LYS 25 HG1 LYS 25 -12.133 -7.106 -6.001 179 HD2 LYS 25 HD2 LYS 25 -10.825 -4.484 -5.404 180 HD3 LYS 25 HD1 LYS 25 -12.141 -5.011 -4.355 181 HE2 LYS 25 HE2 LYS 25 -10.983 -7.151 -3.961 182 HE3 LYS 25 HE1 LYS 25 -9.669 -6.638 -5.020 183 HZ1 LYS 25 HZ1 LYS 25 -9.213 -4.803 -3.542 184 HZ2 LYS 25 HZ2 LYS 25 -9.161 -6.264 -2.676 185 HZ3 LYS 25 HZ3 LYS 25 -10.509 -5.239 -2.539 186 H LEU 26 HN LEU 26 -13.167 -6.128 -9.736 187 HA LEU 26 HA LEU 26 -15.349 -7.457 -8.408 188 HB2 LEU 26 HB2 LEU 26 -15.074 -5.179 -9.975 189 HB3 LEU 26 HB1 LEU 26 -15.960 -6.293 -11.011 190 HG LEU 26 HG LEU 26 -17.598 -5.097 -9.741 191 HD11 LEU 26 HD11 LEU 26 -17.457 -7.809 -9.749 192 HD12 LEU 26 HD12 LEU 26 -18.803 -6.911 -9.049 193 HD13 LEU 26 HD13 LEU 26 -17.507 -7.505 -8.013 194 HD21 LEU 26 HD21 LEU 26 -16.799 -5.919 -7.058 195 HD22 LEU 26 HD22 LEU 26 -17.209 -4.311 -7.656 196 HD23 LEU 26 HD23 LEU 26 -15.565 -4.924 -7.829 197 H GLY 27 HN GLY 27 -13.670 -7.775 -11.509 198 HA2 GLY 27 HA2 GLY 27 -15.304 -10.133 -12.165 199 HA3 GLY 27 HA1 GLY 27 -14.279 -9.247 -13.288 200 H GLY 28 HN GLY 28 -11.856 -9.176 -12.293 201 HA2 GLY 28 HA2 GLY 28 -9.941 -10.378 -11.819 202 HA3 GLY 28 HA1 GLY 28 -10.958 -11.536 -10.963 203 H VAL 29 HN VAL 29 -11.051 -10.517 -14.360 204 HA VAL 29 HA VAL 29 -10.176 -13.197 -15.200 205 HB VAL 29 HB VAL 29 -12.425 -12.169 -16.765 206 HG11 VAL 29 HG11 VAL 29 -12.961 -14.453 -16.894 207 HG12 VAL 29 HG12 VAL 29 -12.220 -14.810 -15.335 208 HG13 VAL 29 HG13 VAL 29 -11.206 -14.477 -16.739 209 HG21 VAL 29 HG21 VAL 29 -14.136 -12.742 -15.101 210 HG22 VAL 29 HG22 VAL 29 -13.114 -11.443 -14.486 211 HG23 VAL 29 HG23 VAL 29 -12.883 -13.094 -13.911 212 H LYS 30 HN LYS 30 -10.370 -13.117 -17.793 213 HA LYS 30 HA LYS 30 -8.266 -11.572 -18.707 214 HB2 LYS 30 HB2 LYS 30 -9.831 -13.503 -19.814 215 HB3 LYS 30 HB1 LYS 30 -10.375 -12.084 -20.709 216 HG2 LYS 30 HG2 LYS 30 -8.543 -12.877 -21.973 217 HG3 LYS 30 HG1 LYS 30 -7.861 -11.558 -21.021 218 HD2 LYS 30 HD2 LYS 30 -6.381 -12.982 -20.107 219 HD3 LYS 30 HD1 LYS 30 -7.709 -13.934 -19.442 220 HE2 LYS 30 HE2 LYS 30 -6.669 -14.217 -22.275 221 HE3 LYS 30 HE1 LYS 30 -6.183 -15.256 -20.935 222 HZ1 LYS 30 HZ1 LYS 30 -8.123 -16.340 -20.965 223 HZ2 LYS 30 HZ2 LYS 30 -8.275 -15.729 -22.544 224 HZ3 LYS 30 HZ3 LYS 30 -9.037 -14.938 -21.246 225 H TYR 31 HN TYR 31 -8.004 -9.506 -19.243 226 HA TYR 31 HA TYR 31 -10.374 -7.873 -19.870 227 HB2 TYR 31 HB2 TYR 31 -9.721 -6.128 -18.372 228 HB3 TYR 31 HB1 TYR 31 -9.707 -7.624 -17.438 229 HD1 TYR 31 HD1 TYR 31 -7.379 -8.949 -17.548 230 HD2 TYR 31 HD2 TYR 31 -7.864 -4.732 -18.207 231 HE1 TYR 31 HE1 TYR 31 -4.984 -8.590 -17.007 232 HE2 TYR 31 HE2 TYR 31 -5.471 -4.372 -17.666 233 HH TYR 31 HH TYR 31 -3.686 -5.946 -16.095 234 H ASP 32 HN ASP 32 -9.940 -5.999 -21.114 235 HA ASP 32 HA ASP 32 -7.225 -5.638 -22.148 236 HB2 ASP 32 HB2 ASP 32 -9.317 -7.002 -23.597 237 HB3 ASP 32 HB1 ASP 32 -8.879 -5.510 -24.427 238 H ILE 33 HN ILE 33 -6.795 -3.531 -22.213 239 HA ILE 33 HA ILE 33 -9.064 -1.646 -22.457 240 HB ILE 33 HB ILE 33 -6.622 -0.578 -21.246 241 HG12 ILE 33 HG12 ILE 33 -8.180 -2.713 -19.753 242 HG13 ILE 33 HG11 ILE 33 -6.560 -2.945 -20.414 243 HG21 ILE 33 HG21 ILE 33 -8.725 0.637 -21.221 244 HG22 ILE 33 HG22 ILE 33 -8.329 0.177 -19.565 245 HG23 ILE 33 HG23 ILE 33 -9.548 -0.726 -20.464 246 HD11 ILE 33 HD11 ILE 33 -6.858 -2.198 -17.902 247 HD12 ILE 33 HD12 ILE 33 -7.076 -0.599 -18.616 248 HD13 ILE 33 HD13 ILE 33 -5.578 -1.489 -18.889 249 H ASP 34 HN ASP 34 -9.061 -0.566 -24.313 250 HA ASP 34 HA ASP 34 -6.463 -0.010 -25.619 251 HB2 ASP 34 HB2 ASP 34 -9.030 0.054 -27.146 252 HB3 ASP 34 HB1 ASP 34 -7.409 -0.369 -27.692 253 H LEU 35 HN LEU 35 -5.999 2.008 -24.885 254 HA LEU 35 HA LEU 35 -7.849 4.059 -24.361 255 HB2 LEU 35 HB2 LEU 35 -5.038 3.714 -24.244 256 HB3 LEU 35 HB1 LEU 35 -5.336 5.165 -25.201 257 HG LEU 35 HG LEU 35 -7.013 5.805 -23.331 258 HD11 LEU 35 HD11 LEU 35 -6.811 3.437 -22.338 259 HD12 LEU 35 HD12 LEU 35 -6.729 4.784 -21.204 260 HD13 LEU 35 HD13 LEU 35 -5.250 3.965 -21.706 261 HD21 LEU 35 HD21 LEU 35 -4.009 5.742 -22.932 262 HD22 LEU 35 HD22 LEU 35 -5.101 6.680 -21.913 263 HD23 LEU 35 HD23 LEU 35 -4.968 7.046 -23.633 264 HA PRO 36 HA PRO 36 -6.510 5.703 -28.809 265 HB2 PRO 36 HB2 PRO 36 -6.224 3.056 -30.126 266 HB3 PRO 36 HB1 PRO 36 -5.256 4.528 -30.325 267 HG2 PRO 36 HG2 PRO 36 -4.354 2.394 -28.981 268 HG3 PRO 36 HG1 PRO 36 -3.918 4.052 -28.536 269 HD2 PRO 36 HD2 PRO 36 -5.802 2.174 -27.184 270 HD3 PRO 36 HD1 PRO 36 -4.800 3.467 -26.490 271 H ASN 37 HN ASN 37 -8.414 2.831 -28.153 272 HA ASN 37 HA ASN 37 -10.389 3.651 -30.186 273 HB2 ASN 37 HB2 ASN 37 -9.469 1.084 -29.155 274 HB3 ASN 37 HB1 ASN 37 -11.226 1.226 -29.126 275 HD21 ASN 37 HD21 ASN 37 -8.660 2.328 -31.426 276 HD22 ASN 37 HD22 ASN 37 -9.425 1.688 -32.799 277 H LYS 38 HN LYS 38 -9.769 3.883 -26.901 278 HA LYS 38 HA LYS 38 -11.049 4.406 -25.064 279 HB2 LYS 38 HB2 LYS 38 -13.172 5.405 -26.938 280 HB3 LYS 38 HB1 LYS 38 -12.632 6.086 -25.402 281 HG2 LYS 38 HG2 LYS 38 -10.425 6.609 -26.469 282 HG3 LYS 38 HG1 LYS 38 -11.086 6.062 -28.011 283 HD2 LYS 38 HD2 LYS 38 -12.807 7.779 -27.937 284 HD3 LYS 38 HD1 LYS 38 -12.289 8.275 -26.326 285 HE2 LYS 38 HE2 LYS 38 -10.296 8.267 -28.570 286 HE3 LYS 38 HE1 LYS 38 -11.441 9.601 -28.436 287 HZ1 LYS 38 HZ1 LYS 38 -9.192 9.741 -27.213 288 HZ2 LYS 38 HZ2 LYS 38 -9.927 8.719 -26.072 289 HZ3 LYS 38 HZ3 LYS 38 -10.598 10.242 -26.410 290 H LYS 39 HN LYS 39 -11.321 1.768 -26.040 291 HA LYS 39 HA LYS 39 -14.058 1.178 -25.123 292 HB2 LYS 39 HB2 LYS 39 -12.720 0.248 -27.643 293 HB3 LYS 39 HB1 LYS 39 -13.882 -0.803 -26.831 294 HG2 LYS 39 HG2 LYS 39 -15.660 0.628 -27.220 295 HG3 LYS 39 HG1 LYS 39 -14.632 2.060 -27.262 296 HD2 LYS 39 HD2 LYS 39 -13.662 1.164 -29.434 297 HD3 LYS 39 HD1 LYS 39 -14.950 -0.041 -29.417 298 HE2 LYS 39 HE2 LYS 39 -15.487 2.930 -29.216 299 HE3 LYS 39 HE1 LYS 39 -15.449 2.068 -30.754 300 HZ1 LYS 39 HZ1 LYS 39 -17.078 0.926 -28.621 301 HZ2 LYS 39 HZ2 LYS 39 -17.353 0.965 -30.297 302 HZ3 LYS 39 HZ3 LYS 39 -17.654 2.344 -29.350 303 H VAL 40 HN VAL 40 -14.279 -0.913 -24.130 304 HA VAL 40 HA VAL 40 -11.708 -2.167 -23.395 305 HB VAL 40 HB VAL 40 -14.013 -1.719 -21.491 306 HG11 VAL 40 HG11 VAL 40 -11.952 -3.552 -21.411 307 HG12 VAL 40 HG12 VAL 40 -12.818 -2.941 -20.001 308 HG13 VAL 40 HG13 VAL 40 -11.293 -2.201 -20.488 309 HG21 VAL 40 HG21 VAL 40 -13.253 0.401 -21.316 310 HG22 VAL 40 HG22 VAL 40 -11.891 0.061 -22.384 311 HG23 VAL 40 HG23 VAL 40 -11.760 -0.268 -20.656 312 H CYS 41 HN CYS 41 -11.657 -4.259 -23.817 313 HA CYS 41 HA CYS 41 -14.211 -5.715 -24.119 314 HB2 CYS 41 HB2 CYS 41 -12.283 -7.345 -25.196 315 HB3 CYS 41 HB1 CYS 41 -13.273 -6.217 -26.120 316 HG CYS 41 HG CYS 41 -11.109 -4.516 -25.307 317 H ILE 42 HN ILE 42 -14.691 -6.893 -22.361 318 HA ILE 42 HA ILE 42 -12.460 -8.245 -20.962 319 HB ILE 42 HB ILE 42 -13.098 -6.674 -19.387 320 HG12 ILE 42 HG12 ILE 42 -15.188 -8.786 -18.823 321 HG13 ILE 42 HG11 ILE 42 -13.465 -9.103 -18.624 322 HG21 ILE 42 HG21 ILE 42 -15.378 -5.868 -19.086 323 HG22 ILE 42 HG22 ILE 42 -15.985 -7.079 -20.214 324 HG23 ILE 42 HG23 ILE 42 -14.953 -5.773 -20.794 325 HD11 ILE 42 HD11 ILE 42 -14.543 -6.621 -17.374 326 HD12 ILE 42 HD12 ILE 42 -13.275 -7.707 -16.806 327 HD13 ILE 42 HD13 ILE 42 -14.970 -8.156 -16.620 328 H GLU 43 HN GLU 43 -12.674 -10.352 -20.529 329 HA GLU 43 HA GLU 43 -15.236 -11.651 -21.242 330 HB2 GLU 43 HB2 GLU 43 -13.407 -12.366 -22.697 331 HB3 GLU 43 HB1 GLU 43 -12.407 -12.743 -21.294 332 HG2 GLU 43 HG2 GLU 43 -14.170 -14.388 -20.569 333 HG3 GLU 43 HG1 GLU 43 -14.993 -14.099 -22.101 334 H SER 44 HN SER 44 -16.344 -12.245 -19.471 335 HA SER 44 HA SER 44 -14.831 -13.353 -17.200 336 HB2 SER 44 HB2 SER 44 -15.219 -11.145 -16.454 337 HB3 SER 44 HB1 SER 44 -16.851 -11.120 -17.118 338 HG SER 44 HG SER 44 -15.870 -12.645 -14.933 339 H GLU 45 HN GLU 45 -16.226 -14.492 -15.650 340 HA GLU 45 HA GLU 45 -17.974 -16.305 -17.014 341 HB2 GLU 45 HB2 GLU 45 -17.432 -15.987 -14.055 342 HB3 GLU 45 HB1 GLU 45 -18.129 -17.398 -14.851 343 HG2 GLU 45 HG2 GLU 45 -16.077 -17.795 -16.080 344 HG3 GLU 45 HG1 GLU 45 -15.377 -16.293 -15.477 345 H HIS 46 HN HIS 46 -18.353 -13.448 -15.050 346 HA HIS 46 HA HIS 46 -21.258 -13.883 -14.866 347 HB2 HIS 46 HB2 HIS 46 -19.488 -12.976 -12.984 348 HB3 HIS 46 HB1 HIS 46 -20.125 -11.465 -13.633 349 HD1 HIS 46 HD1 HIS 46 -20.878 -13.958 -11.170 350 HD2 HIS 46 HD2 HIS 46 -23.176 -11.633 -13.755 351 HE1 HIS 46 HE1 HIS 46 -23.236 -13.984 -10.250 352 H SER 47 HN SER 47 -19.256 -10.979 -15.274 353 HA SER 47 HA SER 47 -19.439 -9.188 -16.702 354 HB2 SER 47 HB2 SER 47 -20.101 -11.534 -18.303 355 HB3 SER 47 HB1 SER 47 -20.893 -10.075 -18.892 356 HG SER 47 HG SER 47 -18.125 -10.437 -18.351 357 H MET 48 HN MET 48 -20.916 -7.569 -17.378 358 HA MET 48 HA MET 48 -22.890 -6.391 -17.375 359 HB2 MET 48 HB2 MET 48 -23.680 -8.964 -18.059 360 HB3 MET 48 HB1 MET 48 -24.708 -8.568 -16.681 361 HG2 MET 48 HG2 MET 48 -25.906 -7.723 -18.535 362 HG3 MET 48 HG1 MET 48 -25.093 -6.305 -17.872 363 HE1 MET 48 HE1 MET 48 -26.091 -8.068 -20.752 364 HE2 MET 48 HE2 MET 48 -24.766 -9.217 -20.570 365 HE3 MET 48 HE3 MET 48 -24.788 -8.118 -21.948 366 H ASP 49 HN ASP 49 -21.304 -6.736 -15.063 367 HA ASP 49 HA ASP 49 -23.080 -5.747 -13.071 368 HB2 ASP 49 HB2 ASP 49 -23.655 -8.114 -12.815 369 HB3 ASP 49 HB1 ASP 49 -21.949 -8.522 -12.632 370 H THR 50 HN THR 50 -19.990 -7.296 -13.760 371 HA THR 50 HA THR 50 -18.583 -5.931 -11.642 372 HB THR 50 HB THR 50 -17.565 -7.956 -12.124 373 HG1 THR 50 HG1 THR 50 -16.180 -6.447 -14.046 374 HG21 THR 50 HG21 THR 50 -18.511 -7.380 -14.893 375 HG22 THR 50 HG22 THR 50 -18.590 -8.880 -13.966 376 HG23 THR 50 HG23 THR 50 -17.079 -8.395 -14.731 377 H LEU 51 HN LEU 51 -19.072 -5.520 -15.088 378 HA LEU 51 HA LEU 51 -17.066 -3.599 -15.571 379 HB2 LEU 51 HB2 LEU 51 -19.642 -3.617 -17.099 380 HB3 LEU 51 HB1 LEU 51 -17.996 -3.384 -17.683 381 HG LEU 51 HG LEU 51 -19.261 -5.973 -16.757 382 HD11 LEU 51 HD11 LEU 51 -18.158 -4.940 -19.373 383 HD12 LEU 51 HD12 LEU 51 -19.793 -5.509 -19.037 384 HD13 LEU 51 HD13 LEU 51 -18.451 -6.653 -19.079 385 HD21 LEU 51 HD21 LEU 51 -17.062 -6.074 -15.871 386 HD22 LEU 51 HD22 LEU 51 -16.378 -5.219 -17.251 387 HD23 LEU 51 HD23 LEU 51 -16.936 -6.883 -17.432 388 H LEU 52 HN LEU 52 -20.568 -3.132 -15.063 389 HA LEU 52 HA LEU 52 -20.627 -0.374 -15.261 390 HB2 LEU 52 HB2 LEU 52 -22.613 -0.685 -13.553 391 HB3 LEU 52 HB1 LEU 52 -22.735 -1.278 -15.206 392 HG LEU 52 HG LEU 52 -21.537 -3.089 -13.145 393 HD11 LEU 52 HD11 LEU 52 -23.654 -3.792 -12.296 394 HD12 LEU 52 HD12 LEU 52 -24.531 -2.840 -13.491 395 HD13 LEU 52 HD13 LEU 52 -23.660 -2.034 -12.186 396 HD21 LEU 52 HD21 LEU 52 -21.804 -4.584 -14.799 397 HD22 LEU 52 HD22 LEU 52 -22.392 -3.291 -15.842 398 HD23 LEU 52 HD23 LEU 52 -23.530 -4.238 -14.886 399 H ALA 53 HN ALA 53 -20.363 -2.237 -12.197 400 HA ALA 53 HA ALA 53 -20.129 0.045 -10.552 401 HB1 ALA 53 HB1 ALA 53 -19.908 -2.837 -10.253 402 HB2 ALA 53 HB2 ALA 53 -20.445 -1.628 -9.088 403 HB3 ALA 53 HB3 ALA 53 -18.727 -1.987 -9.257 404 H THR 54 HN THR 54 -17.708 -1.994 -12.102 405 HA THR 54 HA THR 54 -15.445 -0.752 -10.936 406 HB THR 54 HB THR 54 -14.228 -1.899 -12.785 407 HG1 THR 54 HG1 THR 54 -16.896 -2.345 -13.583 408 HG21 THR 54 HG21 THR 54 -14.491 -3.277 -10.920 409 HG22 THR 54 HG22 THR 54 -15.276 -4.233 -12.178 410 HG23 THR 54 HG23 THR 54 -16.249 -3.285 -11.053 411 H LEU 55 HN LEU 55 -16.983 -0.351 -14.133 412 HA LEU 55 HA LEU 55 -15.178 1.603 -15.075 413 HB2 LEU 55 HB2 LEU 55 -17.832 0.572 -15.898 414 HB3 LEU 55 HB1 LEU 55 -17.389 2.166 -16.501 415 HG LEU 55 HG LEU 55 -15.458 1.347 -17.597 416 HD11 LEU 55 HD11 LEU 55 -15.026 -1.275 -17.210 417 HD12 LEU 55 HD12 LEU 55 -15.724 -0.885 -15.638 418 HD13 LEU 55 HD13 LEU 55 -14.277 -0.044 -16.195 419 HD21 LEU 55 HD21 LEU 55 -16.512 0.154 -19.220 420 HD22 LEU 55 HD22 LEU 55 -17.946 0.334 -18.208 421 HD23 LEU 55 HD23 LEU 55 -16.969 -1.130 -18.100 422 H LYS 56 HN LYS 56 -18.332 1.946 -13.448 423 HA LYS 56 HA LYS 56 -18.447 4.771 -13.675 424 HB2 LYS 56 HB2 LYS 56 -20.148 2.783 -12.755 425 HB3 LYS 56 HB1 LYS 56 -19.782 3.718 -11.308 426 HG2 LYS 56 HG2 LYS 56 -21.629 4.852 -12.235 427 HG3 LYS 56 HG1 LYS 56 -20.247 5.795 -12.796 428 HD2 LYS 56 HD2 LYS 56 -20.292 4.692 -14.954 429 HD3 LYS 56 HD1 LYS 56 -21.542 3.576 -14.403 430 HE2 LYS 56 HE2 LYS 56 -23.210 5.142 -14.578 431 HE3 LYS 56 HE1 LYS 56 -22.144 6.477 -14.135 432 HZ1 LYS 56 HZ1 LYS 56 -21.223 6.522 -16.287 433 HZ2 LYS 56 HZ2 LYS 56 -22.905 6.429 -16.508 434 HZ3 LYS 56 HZ3 LYS 56 -21.939 5.048 -16.722 435 H LYS 57 HN LYS 57 -16.625 2.723 -11.567 436 HA LYS 57 HA LYS 57 -16.348 3.988 -9.210 437 HB2 LYS 57 HB2 LYS 57 -14.329 2.745 -11.021 438 HB3 LYS 57 HB1 LYS 57 -13.763 3.608 -9.598 439 HG2 LYS 57 HG2 LYS 57 -15.991 1.608 -9.344 440 HG3 LYS 57 HG1 LYS 57 -14.313 1.062 -9.384 441 HD2 LYS 57 HD2 LYS 57 -15.113 3.298 -7.537 442 HD3 LYS 57 HD1 LYS 57 -15.419 1.625 -7.073 443 HE2 LYS 57 HE2 LYS 57 -12.728 2.007 -8.151 444 HE3 LYS 57 HE1 LYS 57 -13.026 2.992 -6.719 445 HZ1 LYS 57 HZ1 LYS 57 -12.622 0.199 -6.903 446 HZ2 LYS 57 HZ2 LYS 57 -14.134 0.519 -6.198 447 HZ3 LYS 57 HZ3 LYS 57 -12.720 1.174 -5.520 448 H THR 58 HN THR 58 -14.866 5.115 -12.255 449 HA THR 58 HA THR 58 -13.835 7.500 -10.952 450 HB THR 58 HB THR 58 -13.743 7.675 -13.814 451 HG1 THR 58 HG1 THR 58 -13.112 5.737 -14.381 452 HG21 THR 58 HG21 THR 58 -12.156 8.618 -12.107 453 HG22 THR 58 HG22 THR 58 -11.360 7.736 -13.411 454 HG23 THR 58 HG23 THR 58 -11.562 6.980 -11.832 455 H GLY 59 HN GLY 59 -16.639 6.532 -12.737 456 HA2 GLY 59 HA2 GLY 59 -18.654 7.853 -12.555 457 HA3 GLY 59 HA1 GLY 59 -17.653 9.301 -12.576 458 H ALA 60 HN ALA 60 -16.682 6.865 -14.768 459 HA ALA 60 HA ALA 60 -17.276 8.541 -17.029 460 HB1 ALA 60 HB1 ALA 60 -16.516 6.134 -18.092 461 HB2 ALA 60 HB2 ALA 60 -15.750 6.083 -16.504 462 HB3 ALA 60 HB3 ALA 60 -15.403 7.414 -17.608 463 H THR 61 HN THR 61 -18.681 8.110 -18.744 464 HA THR 61 HA THR 61 -21.189 7.007 -18.074 465 HB THR 61 HB THR 61 -20.296 7.248 -20.927 466 HG1 THR 61 HG1 THR 61 -21.006 9.442 -19.290 467 HG21 THR 61 HG21 THR 61 -22.579 6.597 -20.587 468 HG22 THR 61 HG22 THR 61 -22.604 8.301 -21.037 469 HG23 THR 61 HG23 THR 61 -22.811 7.832 -19.350 470 H VAL 62 HN VAL 62 -22.009 5.003 -18.236 471 HA VAL 62 HA VAL 62 -20.291 2.924 -19.450 472 HB VAL 62 HB VAL 62 -22.176 2.852 -17.099 473 HG11 VAL 62 HG11 VAL 62 -22.719 0.895 -18.424 474 HG12 VAL 62 HG12 VAL 62 -21.712 0.379 -17.072 475 HG13 VAL 62 HG13 VAL 62 -21.011 0.543 -18.682 476 HG21 VAL 62 HG21 VAL 62 -19.553 3.387 -17.147 477 HG22 VAL 62 HG22 VAL 62 -19.452 1.627 -17.184 478 HG23 VAL 62 HG23 VAL 62 -20.277 2.434 -15.852 479 H SER 63 HN SER 63 -21.095 1.706 -21.056 480 HA SER 63 HA SER 63 -24.002 1.708 -21.528 481 HB2 SER 63 HB2 SER 63 -23.541 3.242 -23.168 482 HB3 SER 63 HB1 SER 63 -21.866 2.719 -23.336 483 HG SER 63 HG SER 63 -23.389 2.160 -25.090 484 H TYR 64 HN TYR 64 -24.666 -0.332 -21.594 485 HA TYR 64 HA TYR 64 -22.803 -2.500 -21.964 486 HB2 TYR 64 HB2 TYR 64 -24.354 -3.688 -20.858 487 HB3 TYR 64 HB1 TYR 64 -25.265 -2.191 -20.687 488 HD1 TYR 64 HD1 TYR 64 -24.638 -4.888 -23.227 489 HD2 TYR 64 HD2 TYR 64 -27.448 -2.134 -21.500 490 HE1 TYR 64 HE1 TYR 64 -26.436 -5.822 -24.658 491 HE2 TYR 64 HE2 TYR 64 -29.244 -3.068 -22.932 492 HH TYR 64 HH TYR 64 -29.031 -5.963 -24.492 493 H LEU 65 HN LEU 65 -22.105 -3.051 -23.915 494 HA LEU 65 HA LEU 65 -23.569 -2.428 -26.315 495 HB2 LEU 65 HB2 LEU 65 -20.992 -3.889 -25.748 496 HB3 LEU 65 HB1 LEU 65 -21.670 -3.788 -27.372 497 HG LEU 65 HG LEU 65 -21.137 -1.371 -25.627 498 HD11 LEU 65 HD11 LEU 65 -19.350 -1.261 -27.713 499 HD12 LEU 65 HD12 LEU 65 -19.360 -2.984 -27.336 500 HD13 LEU 65 HD13 LEU 65 -18.955 -1.810 -26.084 501 HD21 LEU 65 HD21 LEU 65 -22.410 -0.375 -27.205 502 HD22 LEU 65 HD22 LEU 65 -22.461 -1.846 -28.177 503 HD23 LEU 65 HD23 LEU 65 -21.117 -0.718 -28.353 504 H GLY 66 HN GLY 66 -22.761 -5.385 -24.521 505 HA2 GLY 66 HA2 GLY 66 -24.614 -7.049 -24.408 506 HA3 GLY 66 HA1 GLY 66 -24.777 -6.823 -26.146 507 H LEU 67 HN LEU 67 -24.439 -9.344 -25.284 508 HA LEU 67 HA LEU 67 -21.611 -10.053 -25.367 509 HB2 LEU 67 HB2 LEU 67 -24.163 -11.607 -24.978 510 HB3 LEU 67 HB1 LEU 67 -22.620 -12.418 -25.251 511 HG LEU 67 HG LEU 67 -22.822 -10.274 -23.156 512 HD11 LEU 67 HD11 LEU 67 -23.712 -13.159 -22.915 513 HD12 LEU 67 HD12 LEU 67 -24.647 -11.711 -22.546 514 HD13 LEU 67 HD13 LEU 67 -23.287 -12.165 -21.521 515 HD21 LEU 67 HD21 LEU 67 -20.605 -11.093 -23.686 516 HD22 LEU 67 HD22 LEU 67 -21.147 -12.768 -23.575 517 HD23 LEU 67 HD23 LEU 67 -21.066 -11.770 -22.123 518 H GLU 68 HN GLU 68 -20.648 -11.291 -26.993 519 HA GLU 68 HA GLU 68 -21.837 -10.950 -29.627 520 HB2 GLU 68 HB2 GLU 68 -19.127 -11.859 -28.654 521 HB3 GLU 68 HB1 GLU 68 -19.591 -11.899 -30.351 522 HG2 GLU 68 HG2 GLU 68 -20.349 -9.352 -29.543 523 HG3 GLU 68 HG1 GLU 68 -18.829 -9.617 -28.691 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -17.363 -17.153 -20.114 2 H2 MET 1 HT2 MET 1 -16.482 -18.451 -19.460 3 H3 MET 1 HT3 MET 1 -18.013 -18.719 -20.144 4 HA MET 1 HA MET 1 -15.428 -18.415 -21.424 5 HB2 MET 1 HB2 MET 1 -17.099 -20.449 -21.286 6 HB3 MET 1 HB1 MET 1 -17.903 -19.622 -22.620 7 HG2 MET 1 HG2 MET 1 -15.332 -19.468 -23.460 8 HG3 MET 1 HG1 MET 1 -15.267 -20.978 -22.555 9 HE1 MET 1 HE1 MET 1 -17.353 -19.715 -26.266 10 HE2 MET 1 HE2 MET 1 -17.053 -18.792 -24.795 11 HE3 MET 1 HE3 MET 1 -18.563 -19.681 -24.975 12 HA PRO 2 HA PRO 2 -18.484 -15.976 -24.321 13 HB2 PRO 2 HB2 PRO 2 -20.279 -14.665 -22.412 14 HB3 PRO 2 HB1 PRO 2 -20.678 -15.617 -23.851 15 HG2 PRO 2 HG2 PRO 2 -21.124 -16.466 -21.314 16 HG3 PRO 2 HG1 PRO 2 -20.842 -17.554 -22.682 17 HD2 PRO 2 HD2 PRO 2 -18.971 -16.760 -20.487 18 HD3 PRO 2 HD1 PRO 2 -19.107 -18.306 -21.356 19 H LYS 3 HN LYS 3 -17.707 -14.028 -24.976 20 HA LYS 3 HA LYS 3 -16.219 -12.425 -23.052 21 HB2 LYS 3 HB2 LYS 3 -16.538 -11.988 -26.030 22 HB3 LYS 3 HB1 LYS 3 -15.307 -11.291 -24.975 23 HG2 LYS 3 HG2 LYS 3 -14.153 -13.301 -24.761 24 HG3 LYS 3 HG1 LYS 3 -15.580 -14.275 -25.113 25 HD2 LYS 3 HD2 LYS 3 -15.467 -13.784 -27.442 26 HD3 LYS 3 HD1 LYS 3 -14.306 -12.481 -27.185 27 HE2 LYS 3 HE2 LYS 3 -13.582 -14.985 -27.938 28 HE3 LYS 3 HE1 LYS 3 -12.534 -13.914 -27.009 29 HZ1 LYS 3 HZ1 LYS 3 -13.978 -14.987 -25.060 30 HZ2 LYS 3 HZ2 LYS 3 -12.513 -15.651 -25.604 31 HZ3 LYS 3 HZ3 LYS 3 -13.991 -16.279 -26.159 32 H HIS 4 HN HIS 4 -16.589 -10.200 -22.668 33 HA HIS 4 HA HIS 4 -19.320 -9.308 -23.385 34 HB2 HIS 4 HB2 HIS 4 -17.762 -8.457 -20.942 35 HB3 HIS 4 HB1 HIS 4 -19.474 -8.196 -21.278 36 HD1 HIS 4 HD1 HIS 4 -20.114 -11.091 -22.309 37 HD2 HIS 4 HD2 HIS 4 -18.066 -10.225 -18.783 38 HE1 HIS 4 HE1 HIS 4 -20.373 -13.119 -20.815 39 H GLU 5 HN GLU 5 -19.564 -7.379 -24.349 40 HA GLU 5 HA GLU 5 -17.135 -5.733 -24.721 41 HB2 GLU 5 HB2 GLU 5 -19.561 -6.040 -26.510 42 HB3 GLU 5 HB1 GLU 5 -18.214 -4.939 -26.808 43 HG2 GLU 5 HG2 GLU 5 -16.666 -6.910 -26.764 44 HG3 GLU 5 HG1 GLU 5 -18.075 -7.961 -26.639 45 H PHE 6 HN PHE 6 -17.156 -3.712 -23.958 46 HA PHE 6 HA PHE 6 -19.748 -2.422 -23.405 47 HB2 PHE 6 HB2 PHE 6 -17.711 -3.247 -21.461 48 HB3 PHE 6 HB1 PHE 6 -18.146 -1.542 -21.336 49 HD1 PHE 6 HD2 PHE 6 -19.714 -4.924 -21.711 50 HD2 PHE 6 HD1 PHE 6 -20.077 -0.935 -20.162 51 HE1 PHE 6 HE2 PHE 6 -21.836 -5.551 -20.592 52 HE2 PHE 6 HE1 PHE 6 -22.199 -1.562 -19.043 53 HZ PHE 6 HZ PHE 6 -23.078 -3.870 -19.259 54 H SER 7 HN SER 7 -19.806 -0.258 -23.788 55 HA SER 7 HA SER 7 -17.336 0.952 -24.866 56 HB2 SER 7 HB2 SER 7 -20.107 0.959 -25.736 57 HB3 SER 7 HB1 SER 7 -19.494 2.597 -25.533 58 HG SER 7 HG SER 7 -18.388 2.298 -27.282 59 H VAL 8 HN VAL 8 -16.349 2.234 -23.437 60 HA VAL 8 HA VAL 8 -18.027 3.989 -21.750 61 HB VAL 8 HB VAL 8 -17.258 2.325 -20.246 62 HG11 VAL 8 HG11 VAL 8 -14.595 2.047 -20.241 63 HG12 VAL 8 HG12 VAL 8 -14.805 2.469 -21.941 64 HG13 VAL 8 HG13 VAL 8 -15.627 1.059 -21.274 65 HG21 VAL 8 HG21 VAL 8 -15.108 4.440 -20.044 66 HG22 VAL 8 HG22 VAL 8 -15.935 3.595 -18.735 67 HG23 VAL 8 HG23 VAL 8 -16.796 4.805 -19.687 68 H ASP 9 HN ASP 9 -17.528 6.082 -21.907 69 HA ASP 9 HA ASP 9 -15.181 6.883 -23.435 70 HB2 ASP 9 HB2 ASP 9 -17.755 7.957 -23.019 71 HB3 ASP 9 HB1 ASP 9 -16.636 9.082 -22.249 72 H MET 10 HN MET 10 -13.288 7.029 -22.406 73 HA MET 10 HA MET 10 -13.049 7.166 -19.583 74 HB2 MET 10 HB2 MET 10 -10.869 7.930 -21.521 75 HB3 MET 10 HB1 MET 10 -10.712 7.181 -19.931 76 HG2 MET 10 HG2 MET 10 -12.392 5.496 -21.500 77 HG3 MET 10 HG1 MET 10 -10.980 5.894 -22.478 78 HE1 MET 10 HE1 MET 10 -10.891 2.349 -20.346 79 HE2 MET 10 HE2 MET 10 -11.343 3.009 -21.915 80 HE3 MET 10 HE3 MET 10 -12.352 3.332 -20.508 81 H THR 11 HN THR 11 -13.429 8.851 -18.341 82 HA THR 11 HA THR 11 -12.976 11.566 -19.418 83 HB THR 11 HB THR 11 -14.877 10.498 -17.334 84 HG1 THR 11 HG1 THR 11 -15.764 10.598 -19.324 85 HG21 THR 11 HG21 THR 11 -14.337 12.353 -16.125 86 HG22 THR 11 HG22 THR 11 -15.330 13.179 -17.325 87 HG23 THR 11 HG23 THR 11 -13.575 13.150 -17.502 88 H CYS 12 HN CYS 12 -12.424 9.373 -16.733 89 HA CYS 12 HA CYS 12 -10.709 11.312 -15.361 90 HB2 CYS 12 HB2 CYS 12 -12.083 8.788 -14.631 91 HB3 CYS 12 HB1 CYS 12 -10.532 9.093 -13.848 92 HG CYS 12 HG CYS 12 -11.473 11.257 -12.818 93 H GLY 13 HN GLY 13 -10.039 10.083 -17.983 94 HA2 GLY 13 HA2 GLY 13 -8.388 8.194 -18.478 95 HA3 GLY 13 HA1 GLY 13 -7.762 9.820 -18.725 96 H GLY 14 HN GLY 14 -7.288 10.743 -16.241 97 HA2 GLY 14 HA2 GLY 14 -4.870 9.465 -15.504 98 HA3 GLY 14 HA1 GLY 14 -5.683 10.735 -14.592 99 H CYS 15 HN CYS 15 -7.983 9.725 -13.764 100 HA CYS 15 HA CYS 15 -7.161 7.666 -11.879 101 HB2 CYS 15 HB2 CYS 15 -9.329 9.664 -12.064 102 HB3 CYS 15 HB1 CYS 15 -9.762 8.144 -11.281 103 HG CYS 15 HG CYS 15 -7.191 9.610 -10.314 104 H ALA 16 HN ALA 16 -9.449 8.041 -14.562 105 HA ALA 16 HA ALA 16 -10.930 5.697 -14.258 106 HB1 ALA 16 HB1 ALA 16 -11.727 7.069 -15.953 107 HB2 ALA 16 HB2 ALA 16 -10.929 5.802 -16.887 108 HB3 ALA 16 HB3 ALA 16 -10.122 7.347 -16.625 109 H GLU 17 HN GLU 17 -7.707 6.176 -15.626 110 HA GLU 17 HA GLU 17 -7.392 3.606 -16.760 111 HB2 GLU 17 HB2 GLU 17 -5.623 5.854 -16.011 112 HB3 GLU 17 HB1 GLU 17 -4.854 4.267 -16.058 113 HG2 GLU 17 HG2 GLU 17 -4.733 5.369 -18.261 114 HG3 GLU 17 HG1 GLU 17 -5.715 3.907 -18.337 115 H ALA 18 HN ALA 18 -6.649 4.896 -13.539 116 HA ALA 18 HA ALA 18 -5.473 2.534 -12.503 117 HB1 ALA 18 HB1 ALA 18 -5.010 4.110 -10.960 118 HB2 ALA 18 HB2 ALA 18 -6.633 3.819 -10.334 119 HB3 ALA 18 HB3 ALA 18 -6.352 5.126 -11.485 120 H VAL 19 HN VAL 19 -8.768 3.633 -12.867 121 HA VAL 19 HA VAL 19 -10.032 1.816 -11.104 122 HB VAL 19 HB VAL 19 -10.913 3.460 -13.446 123 HG11 VAL 19 HG11 VAL 19 -12.509 1.284 -12.069 124 HG12 VAL 19 HG12 VAL 19 -12.145 1.408 -13.790 125 HG13 VAL 19 HG13 VAL 19 -13.236 2.569 -13.034 126 HG21 VAL 19 HG21 VAL 19 -11.813 3.234 -10.555 127 HG22 VAL 19 HG22 VAL 19 -12.375 4.433 -11.720 128 HG23 VAL 19 HG23 VAL 19 -10.696 4.447 -11.181 129 H SER 20 HN SER 20 -9.062 1.592 -14.491 130 HA SER 20 HA SER 20 -10.401 -0.759 -15.191 131 HB2 SER 20 HB2 SER 20 -7.641 -0.363 -16.226 132 HB3 SER 20 HB1 SER 20 -9.127 -0.733 -17.095 133 HG SER 20 HG SER 20 -7.966 1.628 -16.709 134 H ARG 21 HN ARG 21 -7.410 -0.281 -13.394 135 HA ARG 21 HA ARG 21 -6.539 -2.988 -13.456 136 HB2 ARG 21 HB2 ARG 21 -5.969 -0.831 -11.409 137 HB3 ARG 21 HB1 ARG 21 -5.068 -2.334 -11.605 138 HG2 ARG 21 HG2 ARG 21 -4.622 -1.630 -14.003 139 HG3 ARG 21 HG1 ARG 21 -5.293 -0.053 -13.583 140 HD2 ARG 21 HD2 ARG 21 -3.594 0.297 -11.902 141 HD3 ARG 21 HD1 ARG 21 -3.002 -1.352 -12.087 142 HE ARG 21 HE ARG 21 -2.445 0.895 -13.839 143 HH11 ARG 21 HH21 ARG 21 -2.572 -2.538 -13.430 144 HH12 ARG 21 HH22 ARG 21 -1.434 -2.869 -14.693 145 HH21 ARG 21 HH11 ARG 21 -0.953 0.469 -15.498 146 HH22 ARG 21 HH12 ARG 21 -0.519 -1.167 -15.864 147 H VAL 22 HN VAL 22 -8.223 -1.104 -10.940 148 HA VAL 22 HA VAL 22 -8.576 -3.205 -9.118 149 HB VAL 22 HB VAL 22 -9.846 -1.743 -7.896 150 HG11 VAL 22 HG11 VAL 22 -7.757 -0.601 -9.029 151 HG12 VAL 22 HG12 VAL 22 -8.893 0.368 -8.091 152 HG13 VAL 22 HG13 VAL 22 -8.984 0.362 -9.851 153 HG21 VAL 22 HG21 VAL 22 -11.272 0.050 -9.237 154 HG22 VAL 22 HG22 VAL 22 -11.877 -1.591 -9.014 155 HG23 VAL 22 HG23 VAL 22 -11.125 -1.130 -10.538 156 H LEU 23 HN LEU 23 -10.128 -2.577 -12.119 157 HA LEU 23 HA LEU 23 -12.640 -3.745 -11.701 158 HB2 LEU 23 HB2 LEU 23 -12.087 -2.491 -13.734 159 HB3 LEU 23 HB1 LEU 23 -10.968 -3.762 -14.223 160 HG LEU 23 HG LEU 23 -13.801 -4.491 -13.564 161 HD11 LEU 23 HD11 LEU 23 -14.607 -3.931 -15.723 162 HD12 LEU 23 HD12 LEU 23 -12.985 -3.590 -16.326 163 HD13 LEU 23 HD13 LEU 23 -13.746 -2.494 -15.174 164 HD21 LEU 23 HD21 LEU 23 -13.135 -6.474 -14.391 165 HD22 LEU 23 HD22 LEU 23 -11.507 -5.822 -14.563 166 HD23 LEU 23 HD23 LEU 23 -12.645 -5.717 -15.905 167 H ASN 24 HN ASN 24 -9.500 -5.199 -12.306 168 HA ASN 24 HA ASN 24 -10.245 -7.779 -13.026 169 HB2 ASN 24 HB2 ASN 24 -8.008 -7.404 -11.076 170 HB3 ASN 24 HB1 ASN 24 -8.076 -8.407 -12.524 171 HD21 ASN 24 HD21 ASN 24 -5.833 -7.019 -12.576 172 HD22 ASN 24 HD22 ASN 24 -5.929 -5.613 -13.522 173 H LYS 25 HN LYS 25 -10.399 -6.173 -9.930 174 HA LYS 25 HA LYS 25 -10.698 -8.472 -8.295 175 HB2 LYS 25 HB2 LYS 25 -10.152 -6.450 -7.191 176 HB3 LYS 25 HB1 LYS 25 -11.480 -5.580 -7.959 177 HG2 LYS 25 HG2 LYS 25 -13.119 -6.726 -6.666 178 HG3 LYS 25 HG1 LYS 25 -11.953 -7.936 -6.127 179 HD2 LYS 25 HD2 LYS 25 -10.865 -6.421 -4.683 180 HD3 LYS 25 HD1 LYS 25 -11.564 -5.015 -5.488 181 HE2 LYS 25 HE2 LYS 25 -12.634 -5.532 -3.275 182 HE3 LYS 25 HE1 LYS 25 -13.768 -5.545 -4.626 183 HZ1 LYS 25 HZ1 LYS 25 -13.731 -7.496 -2.929 184 HZ2 LYS 25 HZ2 LYS 25 -12.424 -8.042 -3.868 185 HZ3 LYS 25 HZ3 LYS 25 -13.948 -7.810 -4.581 186 H LEU 26 HN LEU 26 -13.051 -6.340 -9.901 187 HA LEU 26 HA LEU 26 -15.341 -7.746 -8.911 188 HB2 LEU 26 HB2 LEU 26 -14.891 -5.331 -10.229 189 HB3 LEU 26 HB1 LEU 26 -15.780 -6.303 -11.401 190 HG LEU 26 HG LEU 26 -17.401 -5.132 -10.045 191 HD11 LEU 26 HD11 LEU 26 -18.738 -6.946 -9.653 192 HD12 LEU 26 HD12 LEU 26 -17.525 -7.753 -8.659 193 HD13 LEU 26 HD13 LEU 26 -17.413 -7.825 -10.417 194 HD21 LEU 26 HD21 LEU 26 -17.281 -4.903 -7.742 195 HD22 LEU 26 HD22 LEU 26 -15.560 -5.033 -8.109 196 HD23 LEU 26 HD23 LEU 26 -16.448 -6.443 -7.528 197 H GLY 27 HN GLY 27 -13.409 -7.875 -11.865 198 HA2 GLY 27 HA2 GLY 27 -15.117 -10.036 -12.906 199 HA3 GLY 27 HA1 GLY 27 -13.922 -9.133 -13.833 200 H GLY 28 HN GLY 28 -11.622 -9.327 -12.633 201 HA2 GLY 28 HA2 GLY 28 -9.829 -10.689 -12.144 202 HA3 GLY 28 HA1 GLY 28 -10.974 -11.783 -11.370 203 H VAL 29 HN VAL 29 -11.091 -10.750 -14.727 204 HA VAL 29 HA VAL 29 -10.198 -13.413 -15.614 205 HB VAL 29 HB VAL 29 -12.500 -12.240 -17.055 206 HG11 VAL 29 HG11 VAL 29 -12.826 -14.416 -17.688 207 HG12 VAL 29 HG12 VAL 29 -12.439 -15.045 -16.086 208 HG13 VAL 29 HG13 VAL 29 -11.143 -14.590 -17.192 209 HG21 VAL 29 HG21 VAL 29 -14.027 -13.393 -15.338 210 HG22 VAL 29 HG22 VAL 29 -13.345 -11.836 -14.869 211 HG23 VAL 29 HG23 VAL 29 -12.649 -13.329 -14.240 212 H LYS 30 HN LYS 30 -10.506 -13.225 -18.229 213 HA LYS 30 HA LYS 30 -8.358 -11.677 -19.102 214 HB2 LYS 30 HB2 LYS 30 -9.278 -13.627 -20.330 215 HB3 LYS 30 HB1 LYS 30 -10.684 -12.658 -20.771 216 HG2 LYS 30 HG2 LYS 30 -9.472 -11.300 -22.211 217 HG3 LYS 30 HG1 LYS 30 -7.956 -11.565 -21.349 218 HD2 LYS 30 HD2 LYS 30 -7.966 -12.729 -23.535 219 HD3 LYS 30 HD1 LYS 30 -7.862 -13.872 -22.196 220 HE2 LYS 30 HE2 LYS 30 -10.611 -13.179 -23.040 221 HE3 LYS 30 HE1 LYS 30 -9.670 -14.085 -24.224 222 HZ1 LYS 30 HZ1 LYS 30 -10.993 -15.178 -22.154 223 HZ2 LYS 30 HZ2 LYS 30 -9.421 -15.054 -21.521 224 HZ3 LYS 30 HZ3 LYS 30 -9.695 -15.911 -22.962 225 H TYR 31 HN TYR 31 -8.120 -9.627 -19.721 226 HA TYR 31 HA TYR 31 -10.442 -8.028 -20.493 227 HB2 TYR 31 HB2 TYR 31 -10.010 -6.275 -18.878 228 HB3 TYR 31 HB1 TYR 31 -10.246 -7.796 -18.016 229 HD1 TYR 31 HD1 TYR 31 -7.992 -9.225 -17.715 230 HD2 TYR 31 HD2 TYR 31 -8.176 -4.969 -18.274 231 HE1 TYR 31 HE1 TYR 31 -5.749 -8.992 -16.684 232 HE2 TYR 31 HE2 TYR 31 -5.932 -4.738 -17.243 233 HH TYR 31 HH TYR 31 -3.927 -7.488 -16.566 234 H ASP 32 HN ASP 32 -9.856 -5.983 -21.469 235 HA ASP 32 HA ASP 32 -7.042 -5.554 -22.113 236 HB2 ASP 32 HB2 ASP 32 -8.906 -5.649 -24.446 237 HB3 ASP 32 HB1 ASP 32 -7.164 -5.916 -24.388 238 H ILE 33 HN ILE 33 -6.601 -3.431 -22.295 239 HA ILE 33 HA ILE 33 -8.893 -1.574 -22.551 240 HB ILE 33 HB ILE 33 -6.425 -1.476 -20.839 241 HG12 ILE 33 HG12 ILE 33 -8.927 -2.281 -20.272 242 HG13 ILE 33 HG11 ILE 33 -7.919 -1.452 -19.086 243 HG21 ILE 33 HG21 ILE 33 -6.352 0.658 -21.905 244 HG22 ILE 33 HG22 ILE 33 -7.155 0.929 -20.358 245 HG23 ILE 33 HG23 ILE 33 -8.106 0.831 -21.842 246 HD11 ILE 33 HD11 ILE 33 -9.718 0.077 -20.968 247 HD12 ILE 33 HD12 ILE 33 -9.000 0.624 -19.453 248 HD13 ILE 33 HD13 ILE 33 -10.313 -0.554 -19.432 249 H ASP 34 HN ASP 34 -8.864 -0.722 -24.550 250 HA ASP 34 HA ASP 34 -6.243 0.017 -25.708 251 HB2 ASP 34 HB2 ASP 34 -8.746 -1.077 -26.884 252 HB3 ASP 34 HB1 ASP 34 -7.862 0.109 -27.842 253 H LEU 35 HN LEU 35 -5.979 2.085 -25.019 254 HA LEU 35 HA LEU 35 -8.004 4.018 -24.734 255 HB2 LEU 35 HB2 LEU 35 -5.159 3.886 -24.441 256 HB3 LEU 35 HB1 LEU 35 -5.568 5.335 -25.361 257 HG LEU 35 HG LEU 35 -5.586 5.797 -22.937 258 HD11 LEU 35 HD11 LEU 35 -7.473 6.535 -24.772 259 HD12 LEU 35 HD12 LEU 35 -7.397 7.166 -23.128 260 HD13 LEU 35 HD13 LEU 35 -8.485 5.833 -23.510 261 HD21 LEU 35 HD21 LEU 35 -7.956 4.491 -22.114 262 HD22 LEU 35 HD22 LEU 35 -6.315 4.174 -21.551 263 HD23 LEU 35 HD23 LEU 35 -6.974 3.257 -22.906 264 HA PRO 36 HA PRO 36 -6.338 5.490 -29.155 265 HB2 PRO 36 HB2 PRO 36 -6.129 2.746 -30.291 266 HB3 PRO 36 HB1 PRO 36 -5.115 4.170 -30.587 267 HG2 PRO 36 HG2 PRO 36 -4.281 2.139 -29.071 268 HG3 PRO 36 HG1 PRO 36 -3.837 3.817 -28.721 269 HD2 PRO 36 HD2 PRO 36 -5.781 2.051 -27.306 270 HD3 PRO 36 HD1 PRO 36 -4.789 3.381 -26.667 271 H ASN 37 HN ASN 37 -8.369 2.681 -28.519 272 HA ASN 37 HA ASN 37 -10.243 3.580 -30.613 273 HB2 ASN 37 HB2 ASN 37 -9.425 0.972 -29.613 274 HB3 ASN 37 HB1 ASN 37 -11.179 1.156 -29.626 275 HD21 ASN 37 HD21 ASN 37 -8.437 0.543 -31.614 276 HD22 ASN 37 HD22 ASN 37 -9.220 0.674 -33.114 277 H LYS 38 HN LYS 38 -9.746 3.932 -27.361 278 HA LYS 38 HA LYS 38 -11.088 4.499 -25.577 279 HB2 LYS 38 HB2 LYS 38 -13.299 5.290 -27.413 280 HB3 LYS 38 HB1 LYS 38 -12.611 6.158 -26.040 281 HG2 LYS 38 HG2 LYS 38 -10.473 6.329 -27.530 282 HG3 LYS 38 HG1 LYS 38 -11.572 5.964 -28.860 283 HD2 LYS 38 HD2 LYS 38 -11.895 8.243 -26.885 284 HD3 LYS 38 HD1 LYS 38 -11.346 8.401 -28.553 285 HE2 LYS 38 HE2 LYS 38 -13.624 8.879 -28.756 286 HE3 LYS 38 HE1 LYS 38 -13.585 7.154 -29.121 287 HZ1 LYS 38 HZ1 LYS 38 -14.892 8.487 -27.003 288 HZ2 LYS 38 HZ2 LYS 38 -13.766 7.385 -26.367 289 HZ3 LYS 38 HZ3 LYS 38 -14.969 6.850 -27.439 290 H LYS 39 HN LYS 39 -11.226 1.794 -26.409 291 HA LYS 39 HA LYS 39 -13.968 1.140 -25.541 292 HB2 LYS 39 HB2 LYS 39 -12.449 -0.036 -27.871 293 HB3 LYS 39 HB1 LYS 39 -13.799 -0.873 -27.106 294 HG2 LYS 39 HG2 LYS 39 -14.847 1.638 -27.474 295 HG3 LYS 39 HG1 LYS 39 -13.810 1.474 -28.891 296 HD2 LYS 39 HD2 LYS 39 -14.881 -0.850 -29.186 297 HD3 LYS 39 HD1 LYS 39 -16.100 -0.297 -28.039 298 HE2 LYS 39 HE2 LYS 39 -15.792 0.370 -30.854 299 HE3 LYS 39 HE1 LYS 39 -17.166 0.651 -29.785 300 HZ1 LYS 39 HZ1 LYS 39 -15.588 2.490 -28.841 301 HZ2 LYS 39 HZ2 LYS 39 -16.529 2.780 -30.225 302 HZ3 LYS 39 HZ3 LYS 39 -14.882 2.390 -30.381 303 H VAL 40 HN VAL 40 -14.161 -0.933 -24.509 304 HA VAL 40 HA VAL 40 -11.620 -2.135 -23.624 305 HB VAL 40 HB VAL 40 -13.917 -1.520 -21.753 306 HG11 VAL 40 HG11 VAL 40 -12.201 -3.451 -21.378 307 HG12 VAL 40 HG12 VAL 40 -12.523 -2.334 -20.050 308 HG13 VAL 40 HG13 VAL 40 -11.064 -2.150 -21.025 309 HG21 VAL 40 HG21 VAL 40 -11.940 0.071 -20.875 310 HG22 VAL 40 HG22 VAL 40 -13.122 0.624 -22.062 311 HG23 VAL 40 HG23 VAL 40 -11.532 0.070 -22.590 312 H CYS 41 HN CYS 41 -11.672 -4.240 -24.061 313 HA CYS 41 HA CYS 41 -14.299 -5.590 -24.181 314 HB2 CYS 41 HB2 CYS 41 -12.592 -7.320 -25.394 315 HB3 CYS 41 HB1 CYS 41 -13.497 -6.075 -26.253 316 HG CYS 41 HG CYS 41 -11.234 -4.545 -25.691 317 H ILE 42 HN ILE 42 -14.719 -6.718 -22.394 318 HA ILE 42 HA ILE 42 -12.507 -8.244 -21.170 319 HB ILE 42 HB ILE 42 -12.770 -6.743 -19.484 320 HG12 ILE 42 HG12 ILE 42 -15.323 -8.261 -18.907 321 HG13 ILE 42 HG11 ILE 42 -13.732 -9.000 -18.721 322 HG21 ILE 42 HG21 ILE 42 -14.870 -5.468 -19.106 323 HG22 ILE 42 HG22 ILE 42 -15.631 -6.379 -20.410 324 HG23 ILE 42 HG23 ILE 42 -14.279 -5.303 -20.758 325 HD11 ILE 42 HD11 ILE 42 -14.916 -7.740 -16.691 326 HD12 ILE 42 HD12 ILE 42 -14.185 -6.329 -17.458 327 HD13 ILE 42 HD13 ILE 42 -13.168 -7.666 -16.920 328 H GLU 43 HN GLU 43 -12.893 -10.340 -20.757 329 HA GLU 43 HA GLU 43 -15.637 -11.339 -21.238 330 HB2 GLU 43 HB2 GLU 43 -14.045 -12.252 -22.834 331 HB3 GLU 43 HB1 GLU 43 -12.949 -12.709 -21.532 332 HG2 GLU 43 HG2 GLU 43 -15.610 -13.776 -21.070 333 HG3 GLU 43 HG1 GLU 43 -14.985 -14.293 -22.635 334 H SER 44 HN SER 44 -16.663 -11.806 -19.383 335 HA SER 44 HA SER 44 -15.113 -13.102 -17.239 336 HB2 SER 44 HB2 SER 44 -15.248 -11.167 -16.087 337 HB3 SER 44 HB1 SER 44 -16.487 -10.513 -17.153 338 HG SER 44 HG SER 44 -17.727 -10.916 -15.491 339 H GLU 45 HN GLU 45 -16.494 -14.125 -15.604 340 HA GLU 45 HA GLU 45 -18.509 -15.736 -16.860 341 HB2 GLU 45 HB2 GLU 45 -18.087 -15.691 -13.903 342 HB3 GLU 45 HB1 GLU 45 -18.350 -17.064 -14.980 343 HG2 GLU 45 HG2 GLU 45 -16.030 -16.291 -16.003 344 HG3 GLU 45 HG1 GLU 45 -15.822 -15.558 -14.414 345 H HIS 46 HN HIS 46 -18.456 -12.878 -14.879 346 HA HIS 46 HA HIS 46 -21.179 -13.051 -13.984 347 HB2 HIS 46 HB2 HIS 46 -19.019 -11.544 -13.240 348 HB3 HIS 46 HB1 HIS 46 -19.973 -10.374 -14.148 349 HD1 HIS 46 HD1 HIS 46 -22.717 -10.587 -13.450 350 HD2 HIS 46 HD2 HIS 46 -19.848 -11.650 -10.618 351 HE1 HIS 46 HE1 HIS 46 -23.868 -10.496 -11.196 352 H SER 47 HN SER 47 -19.717 -10.542 -16.022 353 HA SER 47 HA SER 47 -20.421 -9.601 -18.010 354 HB2 SER 47 HB2 SER 47 -22.795 -11.341 -18.305 355 HB3 SER 47 HB1 SER 47 -21.572 -10.890 -19.488 356 HG SER 47 HG SER 47 -21.089 -12.953 -19.067 357 H MET 48 HN MET 48 -21.129 -7.637 -17.369 358 HA MET 48 HA MET 48 -22.734 -5.983 -17.128 359 HB2 MET 48 HB2 MET 48 -24.256 -7.930 -18.168 360 HB3 MET 48 HB1 MET 48 -24.937 -7.893 -16.541 361 HG2 MET 48 HG2 MET 48 -25.126 -5.365 -16.813 362 HG3 MET 48 HG1 MET 48 -24.748 -5.609 -18.518 363 HE1 MET 48 HE1 MET 48 -27.473 -4.431 -19.038 364 HE2 MET 48 HE2 MET 48 -26.991 -4.172 -17.364 365 HE3 MET 48 HE3 MET 48 -28.594 -4.810 -17.724 366 H ASP 49 HN ASP 49 -21.164 -6.350 -15.114 367 HA ASP 49 HA ASP 49 -22.657 -5.609 -12.830 368 HB2 ASP 49 HB2 ASP 49 -23.079 -8.122 -12.910 369 HB3 ASP 49 HB1 ASP 49 -21.363 -8.324 -12.564 370 H THR 50 HN THR 50 -19.683 -7.080 -14.033 371 HA THR 50 HA THR 50 -18.030 -5.901 -11.984 372 HB THR 50 HB THR 50 -17.083 -7.871 -12.729 373 HG1 THR 50 HG1 THR 50 -15.841 -6.444 -14.739 374 HG21 THR 50 HG21 THR 50 -18.319 -8.663 -14.502 375 HG22 THR 50 HG22 THR 50 -16.901 -8.117 -15.399 376 HG23 THR 50 HG23 THR 50 -18.338 -7.100 -15.323 377 H LEU 51 HN LEU 51 -18.586 -5.335 -15.432 378 HA LEU 51 HA LEU 51 -16.699 -3.268 -15.764 379 HB2 LEU 51 HB2 LEU 51 -19.190 -3.347 -17.407 380 HB3 LEU 51 HB1 LEU 51 -17.521 -3.074 -17.907 381 HG LEU 51 HG LEU 51 -18.787 -5.704 -17.097 382 HD11 LEU 51 HD11 LEU 51 -17.584 -6.153 -19.447 383 HD12 LEU 51 HD12 LEU 51 -17.875 -4.424 -19.625 384 HD13 LEU 51 HD13 LEU 51 -19.226 -5.521 -19.343 385 HD21 LEU 51 HD21 LEU 51 -16.349 -6.470 -17.798 386 HD22 LEU 51 HD22 LEU 51 -16.668 -5.938 -16.147 387 HD23 LEU 51 HD23 LEU 51 -15.921 -4.833 -17.300 388 H LEU 52 HN LEU 52 -20.232 -3.046 -15.428 389 HA LEU 52 HA LEU 52 -20.503 -0.305 -15.546 390 HB2 LEU 52 HB2 LEU 52 -22.516 -0.867 -13.899 391 HB3 LEU 52 HB1 LEU 52 -22.541 -1.339 -15.597 392 HG LEU 52 HG LEU 52 -21.264 -3.189 -13.612 393 HD11 LEU 52 HD11 LEU 52 -23.172 -3.335 -12.409 394 HD12 LEU 52 HD12 LEU 52 -23.887 -4.093 -13.832 395 HD13 LEU 52 HD13 LEU 52 -24.070 -2.359 -13.572 396 HD21 LEU 52 HD21 LEU 52 -21.967 -3.252 -16.369 397 HD22 LEU 52 HD22 LEU 52 -23.019 -4.400 -15.546 398 HD23 LEU 52 HD23 LEU 52 -21.269 -4.548 -15.401 399 H ALA 53 HN ALA 53 -20.215 -2.234 -12.534 400 HA ALA 53 HA ALA 53 -20.228 0.045 -10.843 401 HB1 ALA 53 HB1 ALA 53 -20.778 -1.879 -9.692 402 HB2 ALA 53 HB2 ALA 53 -19.081 -1.709 -9.243 403 HB3 ALA 53 HB3 ALA 53 -19.549 -2.845 -10.508 404 H THR 54 HN THR 54 -17.583 -1.906 -12.183 405 HA THR 54 HA THR 54 -15.517 -0.544 -10.806 406 HB THR 54 HB THR 54 -14.041 -1.668 -12.439 407 HG1 THR 54 HG1 THR 54 -14.965 -2.855 -14.072 408 HG21 THR 54 HG21 THR 54 -14.463 -3.115 -10.696 409 HG22 THR 54 HG22 THR 54 -15.222 -4.032 -11.997 410 HG23 THR 54 HG23 THR 54 -16.209 -3.043 -10.927 411 H LEU 55 HN LEU 55 -16.699 -0.226 -14.177 412 HA LEU 55 HA LEU 55 -14.928 1.863 -14.877 413 HB2 LEU 55 HB2 LEU 55 -17.496 0.812 -15.991 414 HB3 LEU 55 HB1 LEU 55 -16.886 2.357 -16.574 415 HG LEU 55 HG LEU 55 -14.861 1.390 -17.352 416 HD11 LEU 55 HD11 LEU 55 -14.554 -1.178 -16.901 417 HD12 LEU 55 HD12 LEU 55 -15.645 -0.884 -15.547 418 HD13 LEU 55 HD13 LEU 55 -14.110 -0.022 -15.646 419 HD21 LEU 55 HD21 LEU 55 -16.984 0.836 -18.651 420 HD22 LEU 55 HD22 LEU 55 -16.932 -0.754 -17.888 421 HD23 LEU 55 HD23 LEU 55 -15.617 -0.240 -18.944 422 H LYS 56 HN LYS 56 -18.206 1.890 -13.530 423 HA LYS 56 HA LYS 56 -18.668 4.660 -13.665 424 HB2 LYS 56 HB2 LYS 56 -19.702 2.496 -11.838 425 HB3 LYS 56 HB1 LYS 56 -20.220 4.175 -11.679 426 HG2 LYS 56 HG2 LYS 56 -21.163 4.206 -13.862 427 HG3 LYS 56 HG1 LYS 56 -20.344 2.712 -14.320 428 HD2 LYS 56 HD2 LYS 56 -22.462 1.890 -13.857 429 HD3 LYS 56 HD1 LYS 56 -21.711 1.726 -12.269 430 HE2 LYS 56 HE2 LYS 56 -23.866 2.793 -11.971 431 HE3 LYS 56 HE1 LYS 56 -22.613 4.001 -11.684 432 HZ1 LYS 56 HZ1 LYS 56 -24.309 3.657 -14.084 433 HZ2 LYS 56 HZ2 LYS 56 -22.883 4.579 -14.115 434 HZ3 LYS 56 HZ3 LYS 56 -24.163 5.023 -13.089 435 H LYS 57 HN LYS 57 -16.669 2.774 -11.554 436 HA LYS 57 HA LYS 57 -16.417 3.950 -9.202 437 HB2 LYS 57 HB2 LYS 57 -14.258 3.252 -11.171 438 HB3 LYS 57 HB1 LYS 57 -13.863 3.889 -9.580 439 HG2 LYS 57 HG2 LYS 57 -15.861 1.693 -9.655 440 HG3 LYS 57 HG1 LYS 57 -14.196 1.254 -10.038 441 HD2 LYS 57 HD2 LYS 57 -13.417 1.805 -7.927 442 HD3 LYS 57 HD1 LYS 57 -14.691 2.994 -7.653 443 HE2 LYS 57 HE2 LYS 57 -15.529 0.150 -7.969 444 HE3 LYS 57 HE1 LYS 57 -14.716 0.588 -6.466 445 HZ1 LYS 57 HZ1 LYS 57 -16.322 2.391 -6.188 446 HZ2 LYS 57 HZ2 LYS 57 -17.089 0.876 -6.256 447 HZ3 LYS 57 HZ3 LYS 57 -17.121 1.910 -7.605 448 H THR 58 HN THR 58 -14.960 5.442 -12.124 449 HA THR 58 HA THR 58 -14.437 7.885 -10.640 450 HB THR 58 HB THR 58 -13.760 8.612 -13.084 451 HG1 THR 58 HG1 THR 58 -13.250 5.913 -13.413 452 HG21 THR 58 HG21 THR 58 -11.852 8.455 -11.882 453 HG22 THR 58 HG22 THR 58 -11.703 6.833 -12.555 454 HG23 THR 58 HG23 THR 58 -12.445 7.065 -10.974 455 H GLY 59 HN GLY 59 -16.929 6.628 -12.681 456 HA2 GLY 59 HA2 GLY 59 -19.089 7.761 -12.585 457 HA3 GLY 59 HA1 GLY 59 -18.220 9.290 -12.652 458 H ALA 60 HN ALA 60 -16.972 6.823 -14.673 459 HA ALA 60 HA ALA 60 -17.581 8.334 -17.039 460 HB1 ALA 60 HB1 ALA 60 -16.671 5.704 -17.688 461 HB2 ALA 60 HB2 ALA 60 -15.757 6.278 -16.294 462 HB3 ALA 60 HB3 ALA 60 -15.783 7.225 -17.780 463 H THR 61 HN THR 61 -18.966 7.831 -18.704 464 HA THR 61 HA THR 61 -21.325 6.354 -18.001 465 HB THR 61 HB THR 61 -20.807 7.198 -20.814 466 HG1 THR 61 HG1 THR 61 -21.568 9.347 -19.874 467 HG21 THR 61 HG21 THR 61 -23.130 7.456 -18.885 468 HG22 THR 61 HG22 THR 61 -22.975 6.262 -20.174 469 HG23 THR 61 HG23 THR 61 -23.155 7.972 -20.571 470 H VAL 62 HN VAL 62 -21.767 4.277 -18.377 471 HA VAL 62 HA VAL 62 -19.956 2.758 -20.132 472 HB VAL 62 HB VAL 62 -20.750 0.801 -18.838 473 HG11 VAL 62 HG11 VAL 62 -19.922 2.174 -16.527 474 HG12 VAL 62 HG12 VAL 62 -19.148 3.009 -17.873 475 HG13 VAL 62 HG13 VAL 62 -18.898 1.278 -17.648 476 HG21 VAL 62 HG21 VAL 62 -21.932 2.584 -16.776 477 HG22 VAL 62 HG22 VAL 62 -22.373 0.935 -17.219 478 HG23 VAL 62 HG23 VAL 62 -22.903 2.288 -18.217 479 H SER 63 HN SER 63 -20.876 1.145 -21.514 480 HA SER 63 HA SER 63 -23.758 1.476 -22.059 481 HB2 SER 63 HB2 SER 63 -21.567 1.346 -24.142 482 HB3 SER 63 HB1 SER 63 -23.297 1.419 -24.467 483 HG SER 63 HG SER 63 -22.910 3.498 -24.439 484 H TYR 64 HN TYR 64 -24.787 -0.404 -21.992 485 HA TYR 64 HA TYR 64 -23.278 -2.894 -21.996 486 HB2 TYR 64 HB2 TYR 64 -24.907 -2.972 -20.349 487 HB3 TYR 64 HB1 TYR 64 -26.081 -2.086 -21.321 488 HD1 TYR 64 HD2 TYR 64 -24.283 -5.349 -21.073 489 HD2 TYR 64 HD1 TYR 64 -27.670 -3.226 -22.647 490 HE1 TYR 64 HE2 TYR 64 -25.271 -7.492 -21.836 491 HE2 TYR 64 HE1 TYR 64 -28.658 -5.369 -23.411 492 HH TYR 64 HH TYR 64 -26.976 -8.156 -23.734 493 H LEU 65 HN LEU 65 -22.794 -3.820 -23.878 494 HA LEU 65 HA LEU 65 -24.564 -3.432 -26.189 495 HB2 LEU 65 HB2 LEU 65 -21.928 -4.877 -26.254 496 HB3 LEU 65 HB1 LEU 65 -22.742 -3.999 -27.549 497 HG LEU 65 HG LEU 65 -21.553 -2.750 -25.054 498 HD11 LEU 65 HD11 LEU 65 -20.191 -3.675 -27.236 499 HD12 LEU 65 HD12 LEU 65 -19.667 -2.307 -26.253 500 HD13 LEU 65 HD13 LEU 65 -20.566 -2.029 -27.745 501 HD21 LEU 65 HD21 LEU 65 -21.966 -0.666 -26.623 502 HD22 LEU 65 HD22 LEU 65 -23.286 -1.303 -25.640 503 HD23 LEU 65 HD23 LEU 65 -23.184 -1.714 -27.353 504 H GLY 66 HN GLY 66 -22.886 -6.075 -24.481 505 HA2 GLY 66 HA2 GLY 66 -24.771 -7.893 -24.057 506 HA3 GLY 66 HA1 GLY 66 -24.590 -8.050 -25.801 507 H LEU 67 HN LEU 67 -23.706 -10.089 -25.841 508 HA LEU 67 HA LEU 67 -20.939 -10.282 -24.861 509 HB2 LEU 67 HB2 LEU 67 -22.356 -12.813 -24.610 510 HB3 LEU 67 HB1 LEU 67 -21.343 -11.973 -23.434 511 HG LEU 67 HG LEU 67 -23.292 -10.420 -23.003 512 HD11 LEU 67 HD11 LEU 67 -24.342 -11.897 -25.235 513 HD12 LEU 67 HD12 LEU 67 -25.058 -10.523 -24.393 514 HD13 LEU 67 HD13 LEU 67 -25.381 -12.164 -23.834 515 HD21 LEU 67 HD21 LEU 67 -24.679 -12.525 -21.997 516 HD22 LEU 67 HD22 LEU 67 -23.192 -11.915 -21.270 517 HD23 LEU 67 HD23 LEU 67 -23.140 -13.312 -22.345 518 H GLU 68 HN GLU 68 -19.623 -11.713 -26.046 519 HA GLU 68 HA GLU 68 -20.756 -12.486 -28.664 520 HB2 GLU 68 HB2 GLU 68 -18.970 -10.786 -28.774 521 HB3 GLU 68 HB1 GLU 68 -17.879 -11.889 -27.934 522 HG2 GLU 68 HG2 GLU 68 -18.303 -13.563 -29.786 523 HG3 GLU 68 HG1 GLU 68 -19.146 -12.282 -30.655
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