NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
478150 | 2kno | 16472 | 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 -27.372 -28.785 19.933 2 H2 MET 1 HT2 MET 1 -27.303 -27.765 18.590 3 H3 MET 1 HT3 MET 1 -28.716 -27.883 19.509 4 HA MET 1 HA MET 1 -26.161 -26.814 20.503 5 HB2 MET 1 HB2 MET 1 -28.791 -25.428 19.901 6 HB3 MET 1 HB1 MET 1 -27.404 -24.670 20.656 7 HG2 MET 1 HG2 MET 1 -26.114 -25.058 18.579 8 HG3 MET 1 HG1 MET 1 -27.566 -25.727 17.847 9 HE1 MET 1 HE1 MET 1 -25.881 -23.355 16.584 10 HE2 MET 1 HE2 MET 1 -27.175 -22.280 16.051 11 HE3 MET 1 HE3 MET 1 -27.335 -24.030 15.849 12 H HIS 2 HN HIS 2 -26.317 -26.083 22.671 13 HA HIS 2 HA HIS 2 -27.935 -27.890 24.210 14 HB2 HIS 2 HB2 HIS 2 -25.478 -27.208 24.665 15 HB3 HIS 2 HB1 HIS 2 -26.151 -25.715 25.300 16 HD1 HIS 2 HD1 HIS 2 -25.607 -29.294 26.144 17 HD2 HIS 2 HD2 HIS 2 -27.567 -26.003 27.742 18 HE1 HIS 2 HE1 HIS 2 -26.100 -29.874 28.532 19 H HIS 3 HN HIS 3 -27.674 -24.426 23.664 20 HA HIS 3 HA HIS 3 -30.416 -24.105 24.608 21 HB2 HIS 3 HB2 HIS 3 -28.082 -22.319 25.347 22 HB3 HIS 3 HB1 HIS 3 -29.761 -21.832 25.514 23 HD1 HIS 3 HD1 HIS 3 -31.139 -23.112 27.429 24 HD2 HIS 3 HD2 HIS 3 -27.054 -23.838 27.333 25 HE1 HIS 3 HE1 HIS 3 -30.563 -24.144 29.642 26 H HIS 4 HN HIS 4 -31.369 -22.154 23.713 27 HA HIS 4 HA HIS 4 -30.036 -21.223 21.286 28 HB2 HIS 4 HB2 HIS 4 -32.893 -22.145 21.586 29 HB3 HIS 4 HB1 HIS 4 -32.417 -21.043 20.308 30 HD1 HIS 4 HD1 HIS 4 -31.711 -22.143 18.185 31 HD2 HIS 4 HD2 HIS 4 -31.418 -24.703 21.441 32 HE1 HIS 4 HE1 HIS 4 -31.091 -24.398 17.246 33 H HIS 5 HN HIS 5 -29.473 -19.248 21.943 34 HA HIS 5 HA HIS 5 -31.382 -17.582 23.374 35 HB2 HIS 5 HB2 HIS 5 -29.586 -15.894 23.453 36 HB3 HIS 5 HB1 HIS 5 -28.943 -17.440 23.969 37 HD1 HIS 5 HD1 HIS 5 -27.022 -18.467 22.462 38 HD2 HIS 5 HD2 HIS 5 -28.580 -14.886 21.032 39 HE1 HIS 5 HE1 HIS 5 -25.450 -17.689 20.673 40 H HIS 6 HN HIS 6 -32.228 -15.596 22.420 41 HA HIS 6 HA HIS 6 -32.676 -15.914 19.620 42 HB2 HIS 6 HB2 HIS 6 -34.065 -13.905 19.703 43 HB3 HIS 6 HB1 HIS 6 -34.449 -14.912 21.079 44 HD1 HIS 6 HD1 HIS 6 -34.145 -11.541 20.279 45 HD2 HIS 6 HD2 HIS 6 -32.741 -13.833 23.438 46 HE1 HIS 6 HE1 HIS 6 -33.722 -9.927 22.189 47 H HIS 7 HN HIS 7 -31.894 -14.646 17.925 48 HA HIS 7 HA HIS 7 -29.189 -13.895 18.386 49 HB2 HIS 7 HB2 HIS 7 -29.913 -15.044 16.285 50 HB3 HIS 7 HB1 HIS 7 -30.753 -13.572 15.814 51 HD1 HIS 7 HD1 HIS 7 -27.351 -15.091 15.982 52 HD2 HIS 7 HD2 HIS 7 -29.069 -11.431 15.046 53 HE1 HIS 7 HE1 HIS 7 -25.571 -13.766 14.790 54 H SER 8 HN SER 8 -29.362 -12.222 19.790 55 HA SER 8 HA SER 8 -29.747 -9.658 18.413 56 HB2 SER 8 HB2 SER 8 -31.590 -10.197 20.073 57 HB3 SER 8 HB1 SER 8 -30.366 -10.187 21.338 58 HG SER 8 HG SER 8 -30.791 -8.011 19.596 59 H SER 9 HN SER 9 -27.617 -11.784 19.773 60 HA SER 9 HA SER 9 -25.888 -9.721 20.895 61 HB2 SER 9 HB2 SER 9 -25.766 -12.736 21.178 62 HB3 SER 9 HB1 SER 9 -24.756 -11.566 22.032 63 HG SER 9 HG SER 9 -26.915 -10.672 22.693 64 H GLY 10 HN GLY 10 -26.463 -10.937 18.031 65 HA2 GLY 10 HA2 GLY 10 -23.663 -11.307 17.274 66 HA3 GLY 10 HA1 GLY 10 -25.062 -11.805 16.320 67 H LEU 11 HN LEU 11 -22.737 -9.910 15.867 68 HA LEU 11 HA LEU 11 -24.286 -7.494 15.227 69 HB2 LEU 11 HB2 LEU 11 -21.291 -7.900 15.346 70 HB3 LEU 11 HB1 LEU 11 -22.110 -6.386 15.032 71 HG LEU 11 HG LEU 11 -22.183 -7.906 17.646 72 HD11 LEU 11 HD11 LEU 11 -20.824 -6.063 18.501 73 HD12 LEU 11 HD12 LEU 11 -20.747 -5.370 16.886 74 HD13 LEU 11 HD13 LEU 11 -19.997 -6.935 17.212 75 HD21 LEU 11 HD21 LEU 11 -23.305 -5.200 16.908 76 HD22 LEU 11 HD22 LEU 11 -23.262 -5.886 18.533 77 HD23 LEU 11 HD23 LEU 11 -24.238 -6.652 17.282 78 H VAL 12 HN VAL 12 -23.836 -6.568 13.081 79 HA VAL 12 HA VAL 12 -23.215 -8.663 11.119 80 HB VAL 12 HB VAL 12 -24.605 -6.003 10.641 81 HG11 VAL 12 HG11 VAL 12 -23.503 -6.854 8.650 82 HG12 VAL 12 HG12 VAL 12 -25.256 -6.957 8.478 83 HG13 VAL 12 HG13 VAL 12 -24.319 -8.406 8.843 84 HG21 VAL 12 HG21 VAL 12 -25.983 -7.438 12.056 85 HG22 VAL 12 HG22 VAL 12 -25.832 -8.748 10.879 86 HG23 VAL 12 HG23 VAL 12 -26.688 -7.274 10.447 87 HA PRO 13 HA PRO 13 -19.664 -5.902 10.573 88 HB2 PRO 13 HB2 PRO 13 -17.772 -7.853 10.498 89 HB3 PRO 13 HB1 PRO 13 -18.405 -7.180 12.005 90 HG2 PRO 13 HG2 PRO 13 -18.801 -9.845 10.878 91 HG3 PRO 13 HG1 PRO 13 -19.194 -9.248 12.496 92 HD2 PRO 13 HD2 PRO 13 -20.952 -9.593 10.185 93 HD3 PRO 13 HD1 PRO 13 -21.374 -9.285 11.878 94 H ARG 14 HN ARG 14 -18.668 -5.332 8.699 95 HA ARG 14 HA ARG 14 -18.794 -7.213 6.464 96 HB2 ARG 14 HB2 ARG 14 -19.310 -4.228 6.393 97 HB3 ARG 14 HB1 ARG 14 -19.085 -5.211 4.948 98 HG2 ARG 14 HG2 ARG 14 -21.042 -6.545 5.521 99 HG3 ARG 14 HG1 ARG 14 -21.242 -5.631 7.012 100 HD2 ARG 14 HD2 ARG 14 -22.802 -4.875 5.310 101 HD3 ARG 14 HD1 ARG 14 -21.649 -3.610 5.712 102 HE ARG 14 HE ARG 14 -20.664 -5.024 3.525 103 HH11 ARG 14 HH11 ARG 14 -23.460 -2.979 4.260 104 HH12 ARG 14 HH12 ARG 14 -23.532 -2.246 2.730 105 HH21 ARG 14 HH21 ARG 14 -20.769 -4.021 1.397 106 HH22 ARG 14 HH22 ARG 14 -21.973 -2.852 1.064 107 H GLY 15 HN GLY 15 -17.160 -4.270 7.611 108 HA2 GLY 15 HA2 GLY 15 -14.925 -3.895 7.934 109 HA3 GLY 15 HA1 GLY 15 -14.658 -5.597 7.623 110 H SER 16 HN SER 16 -15.630 -2.739 5.745 111 HA SER 16 HA SER 16 -13.735 -3.588 3.700 112 HB2 SER 16 HB2 SER 16 -16.027 -3.137 2.902 113 HB3 SER 16 HB1 SER 16 -15.954 -1.519 3.584 114 HG SER 16 HG SER 16 -14.175 -2.435 1.572 115 H ASP 17 HN ASP 17 -13.783 -1.869 6.282 116 HA ASP 17 HA ASP 17 -12.154 0.430 5.489 117 HB2 ASP 17 HB2 ASP 17 -13.767 0.651 7.362 118 HB3 ASP 17 HB1 ASP 17 -12.896 -0.588 8.254 119 H THR 18 HN THR 18 -10.175 -0.270 4.747 120 HA THR 18 HA THR 18 -8.803 -2.210 6.455 121 HB THR 18 HB THR 18 -7.476 -2.838 4.455 122 HG1 THR 18 HG1 THR 18 -9.114 -1.765 2.595 123 HG21 THR 18 HG21 THR 18 -10.472 -2.959 4.041 124 HG22 THR 18 HG22 THR 18 -9.515 -4.098 4.987 125 HG23 THR 18 HG23 THR 18 -9.287 -3.991 3.241 126 H SER 19 HN SER 19 -8.888 0.929 6.094 127 HA SER 19 HA SER 19 -6.360 1.727 5.267 128 HB2 SER 19 HB2 SER 19 -6.914 3.879 6.459 129 HB3 SER 19 HB1 SER 19 -8.119 3.330 5.293 130 HG SER 19 HG SER 19 -8.247 3.597 8.013 131 H LYS 20 HN LYS 20 -7.501 1.043 8.562 132 HA LYS 20 HA LYS 20 -5.024 1.819 9.705 133 HB2 LYS 20 HB2 LYS 20 -5.762 1.030 11.835 134 HB3 LYS 20 HB1 LYS 20 -7.116 1.791 11.027 135 HG2 LYS 20 HG2 LYS 20 -6.728 -1.192 11.102 136 HG3 LYS 20 HG1 LYS 20 -7.611 -0.311 12.340 137 HD2 LYS 20 HD2 LYS 20 -9.150 0.512 10.575 138 HD3 LYS 20 HD1 LYS 20 -8.285 -0.493 9.404 139 HE2 LYS 20 HE2 LYS 20 -8.844 -2.463 10.625 140 HE3 LYS 20 HE1 LYS 20 -9.622 -1.526 11.899 141 HZ1 LYS 20 HZ1 LYS 20 -11.208 -0.715 10.196 142 HZ2 LYS 20 HZ2 LYS 20 -11.325 -2.374 10.429 143 HZ3 LYS 20 HZ3 LYS 20 -10.551 -1.760 9.067 144 H PHE 21 HN PHE 21 -5.797 -0.943 7.995 145 HA PHE 21 HA PHE 21 -4.066 -2.702 9.392 146 HB2 PHE 21 HB2 PHE 21 -5.339 -2.841 6.671 147 HB3 PHE 21 HB1 PHE 21 -4.176 -4.046 7.199 148 HD1 PHE 21 HD1 PHE 21 -7.465 -2.534 8.016 149 HD2 PHE 21 HD2 PHE 21 -4.847 -5.848 8.516 150 HE1 PHE 21 HE1 PHE 21 -9.299 -3.835 9.033 151 HE2 PHE 21 HE2 PHE 21 -6.657 -7.141 9.538 152 HZ PHE 21 HZ PHE 21 -8.892 -6.133 9.806 153 H TRP 22 HN TRP 22 -3.794 -0.456 6.721 154 HA TRP 22 HA TRP 22 -0.982 -1.201 6.500 155 HB2 TRP 22 HB2 TRP 22 -1.056 -0.117 4.194 156 HB3 TRP 22 HB1 TRP 22 -1.855 -1.663 4.396 157 HD1 TRP 22 HD1 TRP 22 -4.379 -1.781 3.801 158 HE1 TRP 22 HE1 TRP 22 -6.094 -0.137 2.852 159 HE3 TRP 22 HE3 TRP 22 -1.715 2.589 4.315 160 HZ2 TRP 22 HZ2 TRP 22 -6.293 2.653 2.349 161 HZ3 TRP 22 HZ3 TRP 22 -2.761 4.671 3.572 162 HH2 TRP 22 HH2 TRP 22 -4.998 4.700 2.618 163 H TYR 23 HN TYR 23 -3.039 1.484 7.196 164 HA TYR 23 HA TYR 23 -0.852 3.334 6.786 165 HB2 TYR 23 HB2 TYR 23 -3.181 3.923 6.101 166 HB3 TYR 23 HB1 TYR 23 -3.634 3.919 7.802 167 HD1 TYR 23 HD2 TYR 23 -1.388 5.529 5.347 168 HD2 TYR 23 HD1 TYR 23 -3.298 5.857 9.127 169 HE1 TYR 23 HE2 TYR 23 -0.649 7.837 5.499 170 HE2 TYR 23 HE1 TYR 23 -2.565 8.202 9.295 171 HH TYR 23 HH TYR 23 -1.594 9.937 6.739 172 H LYS 24 HN LYS 24 0.575 3.501 8.245 173 HA LYS 24 HA LYS 24 -0.209 4.266 10.852 174 HB2 LYS 24 HB2 LYS 24 1.558 2.752 11.982 175 HB3 LYS 24 HB1 LYS 24 0.030 2.038 11.549 176 HG2 LYS 24 HG2 LYS 24 2.256 1.775 9.609 177 HG3 LYS 24 HG1 LYS 24 2.369 0.867 11.116 178 HD2 LYS 24 HD2 LYS 24 0.052 -0.013 10.637 179 HD3 LYS 24 HD1 LYS 24 0.180 0.740 9.050 180 HE2 LYS 24 HE2 LYS 24 1.997 -0.653 8.429 181 HE3 LYS 24 HE1 LYS 24 2.226 -1.204 10.082 182 HZ1 LYS 24 HZ1 LYS 24 -0.192 -1.844 8.439 183 HZ2 LYS 24 HZ2 LYS 24 0.194 -2.431 9.964 184 HZ3 LYS 24 HZ3 LYS 24 1.123 -2.844 8.657 185 HA PRO 25 HA PRO 25 2.878 6.964 9.124 186 HB2 PRO 25 HB2 PRO 25 2.075 9.186 10.379 187 HB3 PRO 25 HB1 PRO 25 1.159 8.476 9.039 188 HG2 PRO 25 HG2 PRO 25 0.690 8.243 11.988 189 HG3 PRO 25 HG1 PRO 25 -0.482 8.565 10.695 190 HD2 PRO 25 HD2 PRO 25 -0.112 6.111 11.796 191 HD3 PRO 25 HD1 PRO 25 -0.633 6.352 10.117 192 H HIS 26 HN HIS 26 2.790 5.690 12.150 193 HA HIS 26 HA HIS 26 4.605 7.630 13.387 194 HB2 HIS 26 HB2 HIS 26 4.161 6.550 15.498 195 HB3 HIS 26 HB1 HIS 26 2.633 6.876 14.684 196 HD1 HIS 26 HD1 HIS 26 3.993 4.414 16.737 197 HD2 HIS 26 HD2 HIS 26 1.949 4.285 13.134 198 HE1 HIS 26 HE1 HIS 26 3.091 2.058 16.534 199 H LEU 27 HN LEU 27 4.932 5.049 11.510 200 HA LEU 27 HA LEU 27 7.165 3.890 12.971 201 HB2 LEU 27 HB2 LEU 27 5.751 3.010 10.482 202 HB3 LEU 27 HB1 LEU 27 7.164 2.182 11.128 203 HG LEU 27 HG LEU 27 4.420 2.419 12.380 204 HD11 LEU 27 HD11 LEU 27 4.392 -0.005 12.140 205 HD12 LEU 27 HD12 LEU 27 5.973 0.053 11.362 206 HD13 LEU 27 HD13 LEU 27 4.577 0.796 10.581 207 HD21 LEU 27 HD21 LEU 27 6.911 1.120 13.485 208 HD22 LEU 27 HD22 LEU 27 5.293 0.969 14.164 209 HD23 LEU 27 HD23 LEU 27 6.094 2.539 14.154 210 H SER 28 HN SER 28 9.202 3.787 12.221 211 HA SER 28 HA SER 28 9.903 5.701 10.135 212 HB2 SER 28 HB2 SER 28 10.904 5.983 12.424 213 HB3 SER 28 HB1 SER 28 11.676 4.411 12.238 214 HG SER 28 HG SER 28 13.197 5.642 11.521 215 H ARG 29 HN ARG 29 12.141 4.872 9.138 216 HA ARG 29 HA ARG 29 11.359 3.042 7.208 217 HB2 ARG 29 HB2 ARG 29 13.152 4.659 6.856 218 HB3 ARG 29 HB1 ARG 29 14.186 3.780 7.972 219 HG2 ARG 29 HG2 ARG 29 14.182 1.856 6.494 220 HG3 ARG 29 HG1 ARG 29 13.104 2.702 5.382 221 HD2 ARG 29 HD2 ARG 29 14.833 4.459 5.168 222 HD3 ARG 29 HD1 ARG 29 15.922 3.449 6.117 223 HE ARG 29 HE ARG 29 15.425 1.736 4.269 224 HH11 ARG 29 HH11 ARG 29 15.624 5.237 3.753 225 HH12 ARG 29 HH12 ARG 29 16.191 5.111 2.164 226 HH21 ARG 29 HH21 ARG 29 16.191 1.551 2.077 227 HH22 ARG 29 HH22 ARG 29 16.544 2.959 1.181 228 H ASP 30 HN ASP 30 13.576 2.469 9.886 229 HA ASP 30 HA ASP 30 14.057 -0.247 9.217 230 HB2 ASP 30 HB2 ASP 30 14.410 1.139 11.878 231 HB3 ASP 30 HB1 ASP 30 14.936 -0.505 11.543 232 H GLN 31 HN GLN 31 11.643 1.276 11.116 233 HA GLN 31 HA GLN 31 10.668 -1.121 12.311 234 HB2 GLN 31 HB2 GLN 31 9.388 1.592 12.003 235 HB3 GLN 31 HB1 GLN 31 8.687 0.254 12.904 236 HG2 GLN 31 HG2 GLN 31 11.354 1.504 13.516 237 HG3 GLN 31 HG1 GLN 31 9.839 1.925 14.313 238 HE21 GLN 31 HE21 GLN 31 10.599 1.290 16.310 239 HE22 GLN 31 HE22 GLN 31 10.808 -0.356 16.744 240 H ALA 32 HN ALA 32 9.955 0.697 9.443 241 HA ALA 32 HA ALA 32 7.605 -0.646 8.676 242 HB1 ALA 32 HB1 ALA 32 8.329 1.511 7.749 243 HB2 ALA 32 HB2 ALA 32 8.053 0.330 6.461 244 HB3 ALA 32 HB3 ALA 32 9.700 0.711 6.980 245 H ILE 33 HN ILE 33 11.000 -1.084 7.895 246 HA ILE 33 HA ILE 33 10.795 -3.332 6.206 247 HB ILE 33 HB ILE 33 13.081 -2.564 8.050 248 HG12 ILE 33 HG12 ILE 33 12.714 -1.874 5.142 249 HG13 ILE 33 HG11 ILE 33 12.290 -0.786 6.458 250 HG21 ILE 33 HG21 ILE 33 14.502 -3.786 6.469 251 HG22 ILE 33 HG22 ILE 33 13.078 -4.261 5.543 252 HG23 ILE 33 HG23 ILE 33 13.296 -4.854 7.191 253 HD11 ILE 33 HD11 ILE 33 15.022 -1.865 5.842 254 HD12 ILE 33 HD12 ILE 33 14.573 -0.855 7.223 255 HD13 ILE 33 HD13 ILE 33 14.429 -0.209 5.583 256 H ALA 34 HN ALA 34 11.076 -2.958 9.664 257 HA ALA 34 HA ALA 34 11.447 -5.619 10.417 258 HB1 ALA 34 HB1 ALA 34 9.933 -3.511 11.943 259 HB2 ALA 34 HB2 ALA 34 11.680 -3.748 11.990 260 HB3 ALA 34 HB3 ALA 34 10.603 -4.994 12.623 261 H LEU 35 HN LEU 35 8.447 -3.925 9.643 262 HA LEU 35 HA LEU 35 6.828 -6.226 10.242 263 HB2 LEU 35 HB2 LEU 35 6.262 -3.634 8.820 264 HB3 LEU 35 HB1 LEU 35 5.135 -4.955 8.686 265 HG LEU 35 HG LEU 35 4.354 -3.388 10.321 266 HD11 LEU 35 HD11 LEU 35 5.332 -5.879 11.670 267 HD12 LEU 35 HD12 LEU 35 3.841 -5.681 10.751 268 HD13 LEU 35 HD13 LEU 35 4.065 -4.807 12.266 269 HD21 LEU 35 HD21 LEU 35 5.563 -2.916 12.397 270 HD22 LEU 35 HD22 LEU 35 6.439 -2.347 10.975 271 HD23 LEU 35 HD23 LEU 35 6.945 -3.830 11.790 272 H LEU 36 HN LEU 36 8.118 -4.770 7.311 273 HA LEU 36 HA LEU 36 6.860 -6.567 5.547 274 HB2 LEU 36 HB2 LEU 36 9.193 -4.758 5.094 275 HB3 LEU 36 HB1 LEU 36 8.394 -5.669 3.831 276 HG LEU 36 HG LEU 36 7.144 -3.508 5.520 277 HD11 LEU 36 HD11 LEU 36 7.040 -2.283 3.423 278 HD12 LEU 36 HD12 LEU 36 7.927 -3.581 2.622 279 HD13 LEU 36 HD13 LEU 36 8.694 -2.643 3.911 280 HD21 LEU 36 HD21 LEU 36 5.221 -3.723 4.019 281 HD22 LEU 36 HD22 LEU 36 5.475 -5.186 4.961 282 HD23 LEU 36 HD23 LEU 36 5.958 -5.134 3.262 283 H LYS 37 HN LYS 37 9.787 -6.962 7.314 284 HA LYS 37 HA LYS 37 10.760 -8.997 5.567 285 HB2 LYS 37 HB2 LYS 37 12.379 -9.570 7.351 286 HB3 LYS 37 HB1 LYS 37 12.360 -7.864 6.944 287 HG2 LYS 37 HG2 LYS 37 11.053 -7.405 8.964 288 HG3 LYS 37 HG1 LYS 37 11.082 -9.124 9.361 289 HD2 LYS 37 HD2 LYS 37 12.793 -7.924 10.626 290 HD3 LYS 37 HD1 LYS 37 13.535 -9.048 9.494 291 HE2 LYS 37 HE2 LYS 37 13.966 -7.181 7.937 292 HE3 LYS 37 HE1 LYS 37 13.217 -6.071 9.084 293 HZ1 LYS 37 HZ1 LYS 37 15.615 -6.007 9.277 294 HZ2 LYS 37 HZ2 LYS 37 15.687 -7.659 9.515 295 HZ3 LYS 37 HZ3 LYS 37 14.975 -6.685 10.682 296 H ASP 38 HN ASP 38 8.184 -8.957 7.571 297 HA ASP 38 HA ASP 38 8.137 -11.890 7.699 298 HB2 ASP 38 HB2 ASP 38 6.706 -9.794 9.317 299 HB3 ASP 38 HB1 ASP 38 6.111 -11.443 9.240 300 H LYS 39 HN LYS 39 7.387 -9.581 5.647 301 HA LYS 39 HA LYS 39 4.702 -10.624 5.102 302 HB2 LYS 39 HB2 LYS 39 5.796 -7.968 4.154 303 HB3 LYS 39 HB1 LYS 39 4.179 -8.589 3.909 304 HG2 LYS 39 HG2 LYS 39 5.405 -7.735 6.527 305 HG3 LYS 39 HG1 LYS 39 4.148 -6.901 5.618 306 HD2 LYS 39 HD2 LYS 39 3.887 -9.634 6.872 307 HD3 LYS 39 HD1 LYS 39 3.307 -8.131 7.575 308 HE2 LYS 39 HE2 LYS 39 1.770 -7.833 5.695 309 HE3 LYS 39 HE1 LYS 39 2.372 -9.320 4.964 310 HZ1 LYS 39 HZ1 LYS 39 1.533 -10.575 6.805 311 HZ2 LYS 39 HZ2 LYS 39 0.266 -9.606 6.239 312 HZ3 LYS 39 HZ3 LYS 39 1.096 -9.194 7.637 313 H ASP 40 HN ASP 40 4.159 -11.207 3.117 314 HA ASP 40 HA ASP 40 6.213 -12.206 1.410 315 HB2 ASP 40 HB2 ASP 40 4.150 -13.457 1.862 316 HB3 ASP 40 HB1 ASP 40 3.187 -12.152 1.191 317 HA PRO 41 HA PRO 41 6.836 -8.709 -1.300 318 HB2 PRO 41 HB2 PRO 41 6.711 -10.167 -3.730 319 HB3 PRO 41 HB1 PRO 41 8.155 -9.741 -2.814 320 HG2 PRO 41 HG2 PRO 41 6.609 -12.275 -2.846 321 HG3 PRO 41 HG1 PRO 41 8.342 -12.019 -2.591 322 HD2 PRO 41 HD2 PRO 41 6.714 -12.647 -0.575 323 HD3 PRO 41 HD1 PRO 41 8.061 -11.512 -0.339 324 H GLY 42 HN GLY 42 5.370 -7.279 -1.696 325 HA2 GLY 42 HA2 GLY 42 3.665 -6.666 -3.443 326 HA3 GLY 42 HA1 GLY 42 2.807 -8.103 -2.890 327 H ALA 43 HN ALA 43 3.599 -7.699 -0.138 328 HA ALA 43 HA ALA 43 1.432 -6.016 0.662 329 HB1 ALA 43 HB1 ALA 43 3.559 -7.335 2.343 330 HB2 ALA 43 HB2 ALA 43 2.008 -8.054 1.906 331 HB3 ALA 43 HB3 ALA 43 2.059 -6.627 2.942 332 H PHE 44 HN PHE 44 1.571 -4.147 2.023 333 HA PHE 44 HA PHE 44 4.104 -2.708 2.002 334 HB2 PHE 44 HB2 PHE 44 3.198 -0.807 0.858 335 HB3 PHE 44 HB1 PHE 44 2.902 -2.219 -0.149 336 HD1 PHE 44 HD2 PHE 44 0.532 -3.266 -0.031 337 HD2 PHE 44 HD1 PHE 44 1.434 0.623 1.440 338 HE1 PHE 44 HE2 PHE 44 -1.850 -2.672 -0.137 339 HE2 PHE 44 HE1 PHE 44 -0.952 1.213 1.338 340 HZ PHE 44 HZ PHE 44 -2.592 -0.434 0.552 341 H LEU 45 HN LEU 45 3.743 -0.560 3.064 342 HA LEU 45 HA LEU 45 1.362 -0.218 4.618 343 HB2 LEU 45 HB2 LEU 45 2.474 0.270 6.709 344 HB3 LEU 45 HB1 LEU 45 2.799 -1.390 6.266 345 HG LEU 45 HG LEU 45 4.804 0.830 5.825 346 HD11 LEU 45 HD11 LEU 45 4.524 -1.015 8.202 347 HD12 LEU 45 HD12 LEU 45 4.201 0.719 8.202 348 HD13 LEU 45 HD13 LEU 45 5.837 0.130 7.912 349 HD21 LEU 45 HD21 LEU 45 5.065 -2.160 6.090 350 HD22 LEU 45 HD22 LEU 45 6.389 -1.029 5.829 351 HD23 LEU 45 HD23 LEU 45 5.158 -1.251 4.583 352 H ILE 46 HN ILE 46 1.023 1.922 5.155 353 HA ILE 46 HA ILE 46 2.843 3.748 3.791 354 HB ILE 46 HB ILE 46 -0.160 4.040 4.190 355 HG12 ILE 46 HG12 ILE 46 1.530 3.826 1.699 356 HG13 ILE 46 HG11 ILE 46 0.486 2.560 2.337 357 HG21 ILE 46 HG21 ILE 46 0.038 6.180 2.987 358 HG22 ILE 46 HG22 ILE 46 1.791 6.003 2.964 359 HG23 ILE 46 HG23 ILE 46 0.946 6.206 4.500 360 HD11 ILE 46 HD11 ILE 46 -0.429 5.241 1.290 361 HD12 ILE 46 HD12 ILE 46 -1.468 3.947 1.877 362 HD13 ILE 46 HD13 ILE 46 -0.513 3.711 0.416 363 H ARG 47 HN ARG 47 3.861 5.023 4.999 364 HA ARG 47 HA ARG 47 2.813 5.663 7.648 365 HB2 ARG 47 HB2 ARG 47 5.136 5.741 8.453 366 HB3 ARG 47 HB1 ARG 47 4.755 4.156 7.802 367 HG2 ARG 47 HG2 ARG 47 5.902 4.774 5.710 368 HG3 ARG 47 HG1 ARG 47 6.330 6.322 6.433 369 HD2 ARG 47 HD2 ARG 47 7.446 5.031 8.268 370 HD3 ARG 47 HD1 ARG 47 7.173 3.579 7.316 371 HE ARG 47 HE ARG 47 8.595 4.420 5.644 372 HH11 ARG 47 HH11 ARG 47 8.588 6.329 8.649 373 HH12 ARG 47 HH12 ARG 47 10.131 6.978 8.416 374 HH21 ARG 47 HH21 ARG 47 10.819 5.381 5.332 375 HH22 ARG 47 HH22 ARG 47 11.411 6.420 6.547 376 H ASP 48 HN ASP 48 4.490 7.771 8.292 377 HA ASP 48 HA ASP 48 3.807 9.678 6.181 378 HB2 ASP 48 HB2 ASP 48 3.126 10.056 8.629 379 HB3 ASP 48 HB1 ASP 48 4.839 10.272 8.974 380 H SER 49 HN SER 49 5.537 11.209 5.506 381 HA SER 49 HA SER 49 8.073 9.790 5.566 382 HB2 SER 49 HB2 SER 49 7.198 10.249 3.323 383 HB3 SER 49 HB1 SER 49 7.158 11.971 3.691 384 HG SER 49 HG SER 49 9.170 10.601 2.688 385 H HIS 50 HN HIS 50 9.777 10.538 6.397 386 HA HIS 50 HA HIS 50 9.701 12.836 8.143 387 HB2 HIS 50 HB2 HIS 50 11.783 10.766 7.522 388 HB3 HIS 50 HB1 HIS 50 11.987 12.016 8.727 389 HD1 HIS 50 HD1 HIS 50 11.509 11.021 11.059 390 HD2 HIS 50 HD2 HIS 50 9.260 9.184 8.090 391 HE1 HIS 50 HE1 HIS 50 10.209 9.185 12.194 392 H SER 51 HN SER 51 10.604 12.122 4.998 393 HA SER 51 HA SER 51 12.909 13.763 4.824 394 HB2 SER 51 HB2 SER 51 11.195 12.498 2.734 395 HB3 SER 51 HB1 SER 51 12.866 13.093 2.516 396 HG SER 51 HG SER 51 13.146 11.571 4.450 397 H PHE 52 HN PHE 52 9.561 13.967 3.560 398 HA PHE 52 HA PHE 52 9.911 16.864 3.382 399 HB2 PHE 52 HB2 PHE 52 8.490 15.101 1.368 400 HB3 PHE 52 HB1 PHE 52 8.466 16.857 1.361 401 HD1 PHE 52 HD1 PHE 52 10.427 18.121 0.677 402 HD2 PHE 52 HD2 PHE 52 10.429 13.872 0.684 403 HE1 PHE 52 HE1 PHE 52 12.457 18.123 -0.703 404 HE2 PHE 52 HE2 PHE 52 12.447 13.857 -0.684 405 HZ PHE 52 HZ PHE 52 13.477 15.995 -1.385 406 H GLN 53 HN GLN 53 8.162 18.038 3.987 407 HA GLN 53 HA GLN 53 6.194 16.724 5.577 408 HB2 GLN 53 HB2 GLN 53 5.234 18.976 5.921 409 HB3 GLN 53 HB1 GLN 53 6.958 18.978 6.215 410 HG2 GLN 53 HG2 GLN 53 7.339 19.989 4.024 411 HG3 GLN 53 HG1 GLN 53 5.607 19.944 3.703 412 HE21 GLN 53 HE21 GLN 53 8.165 21.512 5.432 413 HE22 GLN 53 HE22 GLN 53 7.250 22.868 5.943 414 H GLY 54 HN GLY 54 4.199 16.099 4.990 415 HA2 GLY 54 HA2 GLY 54 2.234 16.063 3.722 416 HA3 GLY 54 HA1 GLY 54 2.983 17.201 2.605 417 H ALA 55 HN ALA 55 4.543 14.322 3.658 418 HA ALA 55 HA ALA 55 3.921 13.004 1.141 419 HB1 ALA 55 HB1 ALA 55 6.694 13.321 2.326 420 HB2 ALA 55 HB2 ALA 55 6.116 14.029 0.823 421 HB3 ALA 55 HB3 ALA 55 6.298 12.283 0.957 422 H TYR 56 HN TYR 56 3.849 10.831 1.308 423 HA TYR 56 HA TYR 56 3.924 9.748 4.041 424 HB2 TYR 56 HB2 TYR 56 2.303 8.753 1.673 425 HB3 TYR 56 HB1 TYR 56 2.277 8.121 3.308 426 HD1 TYR 56 HD1 TYR 56 1.296 9.427 5.128 427 HD2 TYR 56 HD2 TYR 56 1.050 10.712 1.086 428 HE1 TYR 56 HE1 TYR 56 -0.493 10.978 5.733 429 HE2 TYR 56 HE2 TYR 56 -0.745 12.275 1.687 430 HH TYR 56 HH TYR 56 -2.439 12.505 3.468 431 H GLY 57 HN GLY 57 5.176 7.982 4.334 432 HA2 GLY 57 HA2 GLY 57 6.854 7.340 2.061 433 HA3 GLY 57 HA1 GLY 57 7.251 6.904 3.705 434 H LEU 58 HN LEU 58 6.448 5.710 0.894 435 HA LEU 58 HA LEU 58 4.577 3.672 1.784 436 HB2 LEU 58 HB2 LEU 58 4.070 4.930 -0.281 437 HB3 LEU 58 HB1 LEU 58 5.616 4.488 -0.951 438 HG LEU 58 HG LEU 58 3.637 3.327 -1.945 439 HD11 LEU 58 HD11 LEU 58 5.666 1.504 -0.698 440 HD12 LEU 58 HD12 LEU 58 5.800 2.368 -2.232 441 HD13 LEU 58 HD13 LEU 58 4.589 1.099 -2.040 442 HD21 LEU 58 HD21 LEU 58 3.495 1.966 0.735 443 HD22 LEU 58 HD22 LEU 58 2.645 1.449 -0.716 444 HD23 LEU 58 HD23 LEU 58 2.278 3.018 0.002 445 H ALA 59 HN ALA 59 5.462 1.884 2.496 446 HA ALA 59 HA ALA 59 8.124 1.153 1.517 447 HB1 ALA 59 HB1 ALA 59 6.769 0.355 4.098 448 HB2 ALA 59 HB2 ALA 59 8.051 1.556 3.941 449 HB3 ALA 59 HB3 ALA 59 8.382 -0.139 3.587 450 H LEU 60 HN LEU 60 8.158 -0.470 0.213 451 HA LEU 60 HA LEU 60 5.877 -2.330 0.152 452 HB2 LEU 60 HB2 LEU 60 5.795 -0.855 -1.749 453 HB3 LEU 60 HB1 LEU 60 7.480 -1.148 -2.105 454 HG LEU 60 HG LEU 60 6.904 -3.515 -2.632 455 HD11 LEU 60 HD11 LEU 60 4.079 -2.541 -2.349 456 HD12 LEU 60 HD12 LEU 60 4.879 -3.755 -1.347 457 HD13 LEU 60 HD13 LEU 60 4.561 -4.084 -3.050 458 HD21 LEU 60 HD21 LEU 60 5.898 -3.017 -4.805 459 HD22 LEU 60 HD22 LEU 60 7.152 -1.851 -4.383 460 HD23 LEU 60 HD23 LEU 60 5.448 -1.415 -4.221 461 H LYS 61 HN LYS 61 6.416 -4.408 0.318 462 HA LYS 61 HA LYS 61 9.230 -5.184 0.308 463 HB2 LYS 61 HB2 LYS 61 7.222 -6.006 1.868 464 HB3 LYS 61 HB1 LYS 61 6.897 -7.076 0.523 465 HG2 LYS 61 HG2 LYS 61 9.382 -6.989 2.229 466 HG3 LYS 61 HG1 LYS 61 8.144 -8.236 2.196 467 HD2 LYS 61 HD2 LYS 61 8.794 -8.798 -0.107 468 HD3 LYS 61 HD1 LYS 61 10.043 -7.551 -0.040 469 HE2 LYS 61 HE2 LYS 61 11.107 -9.633 0.420 470 HE3 LYS 61 HE1 LYS 61 11.001 -8.752 1.937 471 HZ1 LYS 61 HZ1 LYS 61 9.319 -11.028 1.061 472 HZ2 LYS 61 HZ2 LYS 61 8.935 -10.125 2.421 473 HZ3 LYS 61 HZ3 LYS 61 10.370 -10.991 2.351 474 H VAL 62 HN VAL 62 10.053 -5.618 -1.743 475 HA VAL 62 HA VAL 62 8.126 -6.488 -3.763 476 HB VAL 62 HB VAL 62 9.681 -5.811 -5.488 477 HG11 VAL 62 HG11 VAL 62 8.183 -4.124 -4.699 478 HG12 VAL 62 HG12 VAL 62 9.718 -3.412 -5.182 479 HG13 VAL 62 HG13 VAL 62 9.346 -3.625 -3.468 480 HG21 VAL 62 HG21 VAL 62 11.569 -4.978 -3.284 481 HG22 VAL 62 HG22 VAL 62 11.792 -4.645 -4.999 482 HG23 VAL 62 HG23 VAL 62 11.803 -6.311 -4.415 483 H ALA 63 HN ALA 63 9.112 -7.947 -5.444 484 HA ALA 63 HA ALA 63 10.012 -10.295 -4.107 485 HB1 ALA 63 HB1 ALA 63 8.535 -10.421 -6.052 486 HB2 ALA 63 HB2 ALA 63 10.048 -11.278 -6.367 487 HB3 ALA 63 HB3 ALA 63 9.780 -9.677 -7.053 488 H THR 64 HN THR 64 11.439 -8.262 -6.633 489 HA THR 64 HA THR 64 14.069 -8.452 -5.516 490 HB THR 64 HB THR 64 14.808 -9.176 -7.970 491 HG1 THR 64 HG1 THR 64 12.953 -11.074 -8.104 492 HG21 THR 64 HG21 THR 64 15.468 -10.351 -5.900 493 HG22 THR 64 HG22 THR 64 15.048 -11.504 -7.167 494 HG23 THR 64 HG23 THR 64 13.905 -11.164 -5.867 495 HA PRO 65 HA PRO 65 13.834 -4.548 -7.842 496 HB2 PRO 65 HB2 PRO 65 15.176 -3.041 -6.206 497 HB3 PRO 65 HB1 PRO 65 13.632 -3.738 -5.700 498 HG2 PRO 65 HG2 PRO 65 16.411 -4.610 -5.006 499 HG3 PRO 65 HG1 PRO 65 14.985 -4.511 -3.964 500 HD2 PRO 65 HD2 PRO 65 15.930 -6.823 -5.261 501 HD3 PRO 65 HD1 PRO 65 14.325 -6.609 -4.527 502 HA PRO 66 HA PRO 66 18.554 -4.478 -8.849 503 HB2 PRO 66 HB2 PRO 66 19.362 -7.203 -9.324 504 HB3 PRO 66 HB1 PRO 66 19.920 -6.152 -8.025 505 HG2 PRO 66 HG2 PRO 66 18.447 -8.369 -7.575 506 HG3 PRO 66 HG1 PRO 66 18.340 -6.922 -6.548 507 HD2 PRO 66 HD2 PRO 66 16.586 -7.675 -8.874 508 HD3 PRO 66 HD1 PRO 66 16.088 -7.255 -7.216 509 HA PRO 67 HA PRO 67 17.762 -5.038 -13.225 510 HB2 PRO 67 HB2 PRO 67 20.611 -5.005 -13.872 511 HB3 PRO 67 HB1 PRO 67 19.390 -3.776 -14.205 512 HG2 PRO 67 HG2 PRO 67 21.370 -3.405 -12.390 513 HG3 PRO 67 HG1 PRO 67 19.767 -2.671 -12.223 514 HD2 PRO 67 HD2 PRO 67 20.890 -5.098 -10.869 515 HD3 PRO 67 HD1 PRO 67 19.879 -3.792 -10.208 516 H SER 68 HN SER 68 20.000 -7.120 -11.623 517 HA SER 68 HA SER 68 19.518 -9.194 -13.638 518 HB2 SER 68 HB2 SER 68 21.938 -9.855 -13.208 519 HB3 SER 68 HB1 SER 68 21.659 -8.389 -14.159 520 HG SER 68 HG SER 68 22.879 -7.494 -12.736 521 H ALA 69 HN ALA 69 20.692 -8.465 -10.394 522 HA ALA 69 HA ALA 69 20.290 -9.290 -8.378 523 HB1 ALA 69 HB1 ALA 69 17.958 -9.645 -9.092 524 HB2 ALA 69 HB2 ALA 69 18.489 -10.786 -7.865 525 HB3 ALA 69 HB3 ALA 69 18.368 -11.303 -9.557 526 H GLN 70 HN GLN 70 21.896 -10.760 -10.663 527 HA GLN 70 HA GLN 70 22.662 -12.988 -9.009 528 HB2 GLN 70 HB2 GLN 70 22.646 -13.482 -11.375 529 HB3 GLN 70 HB1 GLN 70 23.731 -12.166 -11.749 530 HG2 GLN 70 HG2 GLN 70 25.536 -13.287 -10.599 531 HG3 GLN 70 HG1 GLN 70 24.448 -14.563 -10.074 532 HE21 GLN 70 HE21 GLN 70 23.784 -16.088 -11.556 533 HE22 GLN 70 HE22 GLN 70 24.551 -16.294 -13.088 534 HA PRO 71 HA PRO 71 26.456 -10.261 -8.188 535 HB2 PRO 71 HB2 PRO 71 25.919 -7.585 -9.237 536 HB3 PRO 71 HB1 PRO 71 27.331 -8.607 -9.523 537 HG2 PRO 71 HG2 PRO 71 25.526 -8.048 -11.462 538 HG3 PRO 71 HG1 PRO 71 26.410 -9.583 -11.389 539 HD2 PRO 71 HD2 PRO 71 23.620 -8.958 -10.490 540 HD3 PRO 71 HD1 PRO 71 24.216 -10.355 -11.405 541 H TRP 72 HN TRP 72 25.789 -10.186 -6.150 542 HA TRP 72 HA TRP 72 23.832 -8.119 -5.329 543 HB2 TRP 72 HB2 TRP 72 22.905 -10.427 -5.159 544 HB3 TRP 72 HB1 TRP 72 24.236 -10.860 -4.092 545 HD1 TRP 72 HD1 TRP 72 24.131 -9.963 -1.576 546 HE1 TRP 72 HE1 TRP 72 22.266 -8.897 -0.178 547 HE3 TRP 72 HE3 TRP 72 20.804 -8.928 -5.321 548 HZ2 TRP 72 HZ2 TRP 72 19.705 -7.782 -0.597 549 HZ3 TRP 72 HZ3 TRP 72 18.659 -7.865 -4.723 550 HH2 TRP 72 HH2 TRP 72 18.128 -7.310 -2.413 551 H LYS 73 HN LYS 73 24.334 -6.824 -3.900 552 HA LYS 73 HA LYS 73 26.165 -7.429 -1.855 553 HB2 LYS 73 HB2 LYS 73 27.756 -6.731 -3.552 554 HB3 LYS 73 HB1 LYS 73 26.892 -5.197 -3.740 555 HG2 LYS 73 HG2 LYS 73 27.455 -4.559 -1.498 556 HG3 LYS 73 HG1 LYS 73 28.158 -6.142 -1.180 557 HD2 LYS 73 HD2 LYS 73 29.863 -5.741 -2.823 558 HD3 LYS 73 HD1 LYS 73 29.160 -4.162 -3.206 559 HE2 LYS 73 HE2 LYS 73 29.595 -3.407 -0.941 560 HE3 LYS 73 HE1 LYS 73 30.223 -4.996 -0.512 561 HZ1 LYS 73 HZ1 LYS 73 31.995 -4.674 -2.112 562 HZ2 LYS 73 HZ2 LYS 73 31.990 -3.416 -0.982 563 HZ3 LYS 73 HZ3 LYS 73 31.373 -3.160 -2.523 564 H GLY 74 HN GLY 74 24.325 -7.196 -0.899 565 HA2 GLY 74 HA2 GLY 74 23.926 -4.629 0.287 566 HA3 GLY 74 HA1 GLY 74 22.571 -5.086 -0.749 567 H ASP 75 HN ASP 75 21.729 -4.812 1.610 568 HA ASP 75 HA ASP 75 22.051 -7.256 3.141 569 HB2 ASP 75 HB2 ASP 75 20.366 -4.798 3.703 570 HB3 ASP 75 HB1 ASP 75 20.639 -6.125 4.823 571 HA PRO 76 HA PRO 76 19.166 -9.425 0.641 572 HB2 PRO 76 HB2 PRO 76 18.445 -10.518 3.327 573 HB3 PRO 76 HB1 PRO 76 18.645 -11.364 1.787 574 HG2 PRO 76 HG2 PRO 76 20.602 -11.342 3.587 575 HG3 PRO 76 HG1 PRO 76 20.947 -11.243 1.856 576 HD2 PRO 76 HD2 PRO 76 21.198 -9.155 3.934 577 HD3 PRO 76 HD1 PRO 76 21.994 -9.281 2.354 578 H VAL 77 HN VAL 77 17.365 -9.091 3.628 579 HA VAL 77 HA VAL 77 15.055 -8.639 2.029 580 HB VAL 77 HB VAL 77 14.787 -10.004 4.000 581 HG11 VAL 77 HG11 VAL 77 15.473 -7.565 5.614 582 HG12 VAL 77 HG12 VAL 77 16.445 -9.028 5.455 583 HG13 VAL 77 HG13 VAL 77 14.880 -9.092 6.270 584 HG21 VAL 77 HG21 VAL 77 13.282 -7.420 4.287 585 HG22 VAL 77 HG22 VAL 77 12.821 -8.960 5.014 586 HG23 VAL 77 HG23 VAL 77 12.826 -8.776 3.253 587 H GLU 78 HN GLU 78 17.185 -6.551 3.748 588 HA GLU 78 HA GLU 78 15.311 -4.409 3.886 589 HB2 GLU 78 HB2 GLU 78 18.315 -4.234 4.108 590 HB3 GLU 78 HB1 GLU 78 17.185 -2.956 4.517 591 HG2 GLU 78 HG2 GLU 78 17.377 -3.778 6.604 592 HG3 GLU 78 HG1 GLU 78 16.222 -4.960 6.024 593 H GLN 79 HN GLN 79 17.512 -5.477 1.466 594 HA GLN 79 HA GLN 79 17.094 -3.065 -0.073 595 HB2 GLN 79 HB2 GLN 79 19.292 -4.201 -0.090 596 HB3 GLN 79 HB1 GLN 79 18.549 -5.595 -0.850 597 HG2 GLN 79 HG2 GLN 79 19.775 -4.195 -2.423 598 HG3 GLN 79 HG1 GLN 79 18.068 -4.301 -2.844 599 HE21 GLN 79 HE21 GLN 79 20.083 -2.328 -3.608 600 HE22 GLN 79 HE22 GLN 79 19.478 -0.794 -3.103 601 H LEU 80 HN LEU 80 15.611 -6.117 0.332 602 HA LEU 80 HA LEU 80 14.190 -6.029 -2.184 603 HB2 LEU 80 HB2 LEU 80 13.575 -7.672 0.291 604 HB3 LEU 80 HB1 LEU 80 12.822 -7.845 -1.284 605 HG LEU 80 HG LEU 80 15.725 -8.422 -0.682 606 HD11 LEU 80 HD11 LEU 80 15.072 -10.759 -0.975 607 HD12 LEU 80 HD12 LEU 80 13.386 -10.255 -1.103 608 HD13 LEU 80 HD13 LEU 80 14.267 -10.008 0.403 609 HD21 LEU 80 HD21 LEU 80 15.721 -9.446 -2.909 610 HD22 LEU 80 HD22 LEU 80 15.394 -7.718 -2.980 611 HD23 LEU 80 HD23 LEU 80 14.071 -8.872 -3.168 612 H VAL 81 HN VAL 81 13.992 -4.484 0.770 613 HA VAL 81 HA VAL 81 11.193 -3.842 0.385 614 HB VAL 81 HB VAL 81 13.057 -3.114 2.683 615 HG11 VAL 81 HG11 VAL 81 11.027 -2.248 3.787 616 HG12 VAL 81 HG12 VAL 81 10.115 -2.537 2.300 617 HG13 VAL 81 HG13 VAL 81 11.413 -1.348 2.322 618 HG21 VAL 81 HG21 VAL 81 10.696 -4.993 2.533 619 HG22 VAL 81 HG22 VAL 81 11.602 -4.608 3.993 620 HG23 VAL 81 HG23 VAL 81 12.391 -5.466 2.667 621 H ARG 82 HN ARG 82 10.653 -2.196 -0.686 622 HA ARG 82 HA ARG 82 12.645 -0.190 -1.427 623 HB2 ARG 82 HB2 ARG 82 10.087 -1.089 -2.725 624 HB3 ARG 82 HB1 ARG 82 11.039 0.276 -3.283 625 HG2 ARG 82 HG2 ARG 82 12.382 -2.355 -2.970 626 HG3 ARG 82 HG1 ARG 82 11.316 -2.107 -4.349 627 HD2 ARG 82 HD2 ARG 82 13.694 -1.605 -4.857 628 HD3 ARG 82 HD1 ARG 82 12.597 -0.244 -5.074 629 HE ARG 82 HE ARG 82 13.504 0.786 -3.203 630 HH11 ARG 82 HH11 ARG 82 15.197 -2.262 -3.663 631 HH12 ARG 82 HH12 ARG 82 16.716 -1.650 -3.187 632 HH21 ARG 82 HH21 ARG 82 15.617 1.643 -2.622 633 HH22 ARG 82 HH22 ARG 82 16.971 0.619 -2.610 634 H HIS 83 HN HIS 83 12.182 1.902 -1.204 635 HA HIS 83 HA HIS 83 9.781 2.586 0.334 636 HB2 HIS 83 HB2 HIS 83 12.595 3.626 0.751 637 HB3 HIS 83 HB1 HIS 83 11.164 4.356 1.461 638 HD1 HIS 83 HD1 HIS 83 13.237 1.199 1.634 639 HD2 HIS 83 HD2 HIS 83 10.225 3.156 3.713 640 HE1 HIS 83 HE1 HIS 83 12.976 -0.030 3.816 641 H PHE 84 HN PHE 84 8.627 3.947 -0.621 642 HA PHE 84 HA PHE 84 9.804 5.867 -2.497 643 HB2 PHE 84 HB2 PHE 84 7.166 4.390 -2.736 644 HB3 PHE 84 HB1 PHE 84 7.725 5.632 -3.837 645 HD1 PHE 84 HD2 PHE 84 9.967 5.134 -5.070 646 HD2 PHE 84 HD1 PHE 84 7.566 2.144 -3.205 647 HE1 PHE 84 HE2 PHE 84 11.045 3.403 -6.441 648 HE2 PHE 84 HE1 PHE 84 8.645 0.427 -4.563 649 HZ PHE 84 HZ PHE 84 10.379 1.045 -6.192 650 H LEU 85 HN LEU 85 8.109 7.762 -2.698 651 HA LEU 85 HA LEU 85 6.547 7.838 -0.298 652 HB2 LEU 85 HB2 LEU 85 7.165 10.128 0.313 653 HB3 LEU 85 HB1 LEU 85 8.473 8.991 0.482 654 HG LEU 85 HG LEU 85 8.253 10.911 -1.843 655 HD11 LEU 85 HD11 LEU 85 8.360 12.132 0.261 656 HD12 LEU 85 HD12 LEU 85 9.907 12.243 -0.592 657 HD13 LEU 85 HD13 LEU 85 9.716 11.137 0.777 658 HD21 LEU 85 HD21 LEU 85 10.524 9.341 -0.663 659 HD22 LEU 85 HD22 LEU 85 10.647 10.455 -2.033 660 HD23 LEU 85 HD23 LEU 85 9.702 8.961 -2.177 661 H ILE 86 HN ILE 86 4.790 8.800 -0.322 662 HA ILE 86 HA ILE 86 3.676 9.543 -2.908 663 HB ILE 86 HB ILE 86 2.351 9.111 -0.224 664 HG12 ILE 86 HG12 ILE 86 2.507 7.199 -2.522 665 HG13 ILE 86 HG11 ILE 86 3.580 7.089 -1.123 666 HG21 ILE 86 HG21 ILE 86 1.103 10.437 -1.763 667 HG22 ILE 86 HG22 ILE 86 0.321 8.859 -1.559 668 HG23 ILE 86 HG23 ILE 86 1.255 9.211 -3.021 669 HD11 ILE 86 HD11 ILE 86 0.581 6.813 -1.148 670 HD12 ILE 86 HD12 ILE 86 1.588 6.748 0.291 671 HD13 ILE 86 HD13 ILE 86 1.748 5.503 -0.952 672 H GLU 87 HN GLU 87 3.835 11.688 -3.267 673 HA GLU 87 HA GLU 87 3.794 13.479 -0.931 674 HB2 GLU 87 HB2 GLU 87 4.754 14.095 -3.714 675 HB3 GLU 87 HB1 GLU 87 4.871 15.140 -2.310 676 HG2 GLU 87 HG2 GLU 87 6.334 13.456 -1.245 677 HG3 GLU 87 HG1 GLU 87 6.282 12.526 -2.739 678 H THR 88 HN THR 88 2.034 14.597 -0.583 679 HA THR 88 HA THR 88 0.185 14.923 -2.781 680 HB THR 88 HB THR 88 -1.060 14.064 -1.020 681 HG1 THR 88 HG1 THR 88 -2.120 16.103 -0.088 682 HG21 THR 88 HG21 THR 88 0.331 15.950 0.866 683 HG22 THR 88 HG22 THR 88 0.540 14.190 0.737 684 HG23 THR 88 HG23 THR 88 -0.994 14.854 1.301 685 H GLY 89 HN GLY 89 0.120 16.620 -3.810 686 HA2 GLY 89 HA2 GLY 89 1.210 19.114 -2.663 687 HA3 GLY 89 HA1 GLY 89 1.117 18.764 -4.390 688 HA PRO 90 HA PRO 90 -2.686 21.192 -3.415 689 HB2 PRO 90 HB2 PRO 90 -2.152 22.218 -6.111 690 HB3 PRO 90 HB1 PRO 90 -2.482 23.118 -4.628 691 HG2 PRO 90 HG2 PRO 90 -0.051 23.064 -5.749 692 HG3 PRO 90 HG1 PRO 90 -0.267 23.124 -3.986 693 HD2 PRO 90 HD2 PRO 90 0.438 20.819 -5.746 694 HD3 PRO 90 HD1 PRO 90 1.046 21.220 -4.124 695 H LYS 91 HN LYS 91 -1.466 19.424 -6.165 696 HA LYS 91 HA LYS 91 -3.992 18.952 -7.317 697 HB2 LYS 91 HB2 LYS 91 -1.325 17.604 -7.764 698 HB3 LYS 91 HB1 LYS 91 -2.781 17.072 -8.577 699 HG2 LYS 91 HG2 LYS 91 -1.706 18.472 -10.108 700 HG3 LYS 91 HG1 LYS 91 -2.998 19.448 -9.408 701 HD2 LYS 91 HD2 LYS 91 -1.299 20.416 -7.846 702 HD3 LYS 91 HD1 LYS 91 -0.078 19.527 -8.776 703 HE2 LYS 91 HE2 LYS 91 -0.809 20.688 -10.812 704 HE3 LYS 91 HE1 LYS 91 -1.972 21.591 -9.842 705 HZ1 LYS 91 HZ1 LYS 91 0.988 21.719 -9.542 706 HZ2 LYS 91 HZ2 LYS 91 -0.131 22.621 -8.642 707 HZ3 LYS 91 HZ3 LYS 91 0.031 22.880 -10.274 708 H GLY 92 HN GLY 92 -1.761 16.519 -5.952 709 HA2 GLY 92 HA2 GLY 92 -3.494 15.554 -4.030 710 HA3 GLY 92 HA1 GLY 92 -3.756 14.639 -5.518 711 H VAL 93 HN VAL 93 -2.930 12.777 -4.667 712 HA VAL 93 HA VAL 93 -0.130 12.814 -3.812 713 HB VAL 93 HB VAL 93 -0.508 10.626 -2.807 714 HG11 VAL 93 HG11 VAL 93 -0.806 12.276 -1.315 715 HG12 VAL 93 HG12 VAL 93 -2.204 11.216 -1.075 716 HG13 VAL 93 HG13 VAL 93 -2.387 12.743 -1.948 717 HG21 VAL 93 HG21 VAL 93 -2.207 9.745 -4.354 718 HG22 VAL 93 HG22 VAL 93 -3.397 10.843 -3.630 719 HG23 VAL 93 HG23 VAL 93 -2.678 9.561 -2.665 720 H LYS 94 HN LYS 94 1.374 11.456 -4.716 721 HA LYS 94 HA LYS 94 0.765 9.491 -6.664 722 HB2 LYS 94 HB2 LYS 94 1.993 10.436 -8.537 723 HB3 LYS 94 HB1 LYS 94 0.802 11.621 -8.064 724 HG2 LYS 94 HG2 LYS 94 3.748 11.730 -7.384 725 HG3 LYS 94 HG1 LYS 94 2.974 12.608 -8.694 726 HD2 LYS 94 HD2 LYS 94 1.599 13.816 -6.984 727 HD3 LYS 94 HD1 LYS 94 2.489 12.961 -5.731 728 HE2 LYS 94 HE2 LYS 94 4.576 13.930 -6.602 729 HE3 LYS 94 HE1 LYS 94 3.638 14.830 -7.788 730 HZ1 LYS 94 HZ1 LYS 94 3.328 15.112 -4.853 731 HZ2 LYS 94 HZ2 LYS 94 2.543 16.027 -6.041 732 HZ3 LYS 94 HZ3 LYS 94 4.205 16.171 -5.843 733 H ILE 95 HN ILE 95 2.814 8.225 -7.103 734 HA ILE 95 HA ILE 95 4.440 8.435 -4.717 735 HB ILE 95 HB ILE 95 4.311 6.205 -6.767 736 HG12 ILE 95 HG12 ILE 95 3.083 6.322 -4.028 737 HG13 ILE 95 HG11 ILE 95 2.158 6.624 -5.501 738 HG21 ILE 95 HG21 ILE 95 5.415 4.894 -5.010 739 HG22 ILE 95 HG22 ILE 95 5.488 6.335 -3.991 740 HG23 ILE 95 HG23 ILE 95 6.397 6.275 -5.499 741 HD11 ILE 95 HD11 ILE 95 1.807 4.378 -4.656 742 HD12 ILE 95 HD12 ILE 95 3.543 4.067 -4.700 743 HD13 ILE 95 HD13 ILE 95 2.652 4.314 -6.202 744 H LYS 96 HN LYS 96 6.239 9.500 -4.788 745 HA LYS 96 HA LYS 96 7.587 10.355 -7.103 746 HB2 LYS 96 HB2 LYS 96 7.869 11.674 -5.161 747 HB3 LYS 96 HB1 LYS 96 8.369 10.294 -4.199 748 HG2 LYS 96 HG2 LYS 96 10.490 10.182 -5.338 749 HG3 LYS 96 HG1 LYS 96 9.990 11.432 -6.476 750 HD2 LYS 96 HD2 LYS 96 10.067 11.934 -3.523 751 HD3 LYS 96 HD1 LYS 96 11.511 12.107 -4.527 752 HE2 LYS 96 HE2 LYS 96 10.444 13.773 -5.862 753 HE3 LYS 96 HE1 LYS 96 8.895 13.514 -5.064 754 HZ1 LYS 96 HZ1 LYS 96 10.157 15.496 -4.343 755 HZ2 LYS 96 HZ2 LYS 96 11.297 14.475 -3.604 756 HZ3 LYS 96 HZ3 LYS 96 9.654 14.471 -3.121 757 H GLY 97 HN GLY 97 8.853 9.362 -8.406 758 HA2 GLY 97 HA2 GLY 97 11.003 7.964 -8.333 759 HA3 GLY 97 HA1 GLY 97 9.909 6.738 -7.687 760 H CYS 98 HN CYS 98 7.683 7.781 -9.203 761 HA CYS 98 HA CYS 98 8.398 6.665 -11.797 762 HB2 CYS 98 HB2 CYS 98 6.858 5.330 -10.547 763 HB3 CYS 98 HB1 CYS 98 5.787 6.704 -10.313 764 HG CYS 98 HG CYS 98 4.370 5.550 -12.081 765 HA PRO 99 HA PRO 99 6.940 10.698 -13.200 766 HB2 PRO 99 HB2 PRO 99 8.025 10.600 -15.638 767 HB3 PRO 99 HB1 PRO 99 9.020 10.754 -14.184 768 HG2 PRO 99 HG2 PRO 99 8.687 8.448 -15.989 769 HG3 PRO 99 HG1 PRO 99 10.011 8.811 -14.872 770 HD2 PRO 99 HD2 PRO 99 7.730 7.066 -14.492 771 HD3 PRO 99 HD1 PRO 99 9.120 7.301 -13.422 772 H SER 100 HN SER 100 5.506 7.864 -13.848 773 HA SER 100 HA SER 100 3.958 8.880 -16.149 774 HB2 SER 100 HB2 SER 100 4.530 6.004 -15.458 775 HB3 SER 100 HB1 SER 100 3.799 6.615 -16.940 776 HG SER 100 HG SER 100 6.259 6.100 -16.695 777 H GLU 101 HN GLU 101 3.529 8.957 -13.086 778 HA GLU 101 HA GLU 101 1.061 7.385 -12.993 779 HB2 GLU 101 HB2 GLU 101 2.954 6.683 -11.505 780 HB3 GLU 101 HB1 GLU 101 2.829 8.232 -10.700 781 HG2 GLU 101 HG2 GLU 101 0.697 7.689 -9.818 782 HG3 GLU 101 HG1 GLU 101 0.580 6.248 -10.837 783 HA PRO 102 HA PRO 102 -0.922 11.382 -12.588 784 HB2 PRO 102 HB2 PRO 102 -3.426 10.599 -12.213 785 HB3 PRO 102 HB1 PRO 102 -2.592 10.245 -13.735 786 HG2 PRO 102 HG2 PRO 102 -3.023 8.451 -11.367 787 HG3 PRO 102 HG1 PRO 102 -3.288 8.092 -13.081 788 HD2 PRO 102 HD2 PRO 102 -1.031 7.374 -11.728 789 HD3 PRO 102 HD1 PRO 102 -1.055 7.712 -13.470 790 H TYR 103 HN TYR 103 -2.693 12.391 -11.066 791 HA TYR 103 HA TYR 103 -1.785 11.941 -8.316 792 HB2 TYR 103 HB2 TYR 103 -3.460 14.252 -9.324 793 HB3 TYR 103 HB1 TYR 103 -2.549 14.155 -7.826 794 HD1 TYR 103 HD2 TYR 103 0.085 13.748 -8.201 795 HD2 TYR 103 HD1 TYR 103 -2.573 15.487 -11.037 796 HE1 TYR 103 HE2 TYR 103 1.975 14.809 -9.327 797 HE2 TYR 103 HE1 TYR 103 -0.672 16.553 -12.161 798 HH TYR 103 HH TYR 103 2.537 15.670 -11.547 799 H PHE 104 HN PHE 104 -3.015 10.553 -7.356 800 HA PHE 104 HA PHE 104 -5.744 10.073 -8.134 801 HB2 PHE 104 HB2 PHE 104 -4.191 8.984 -5.770 802 HB3 PHE 104 HB1 PHE 104 -5.761 8.409 -6.320 803 HD1 PHE 104 HD1 PHE 104 -5.969 7.171 -8.417 804 HD2 PHE 104 HD2 PHE 104 -2.172 8.383 -6.923 805 HE1 PHE 104 HE1 PHE 104 -4.866 5.592 -9.948 806 HE2 PHE 104 HE2 PHE 104 -1.062 6.806 -8.451 807 HZ PHE 104 HZ PHE 104 -2.406 5.408 -9.965 808 H GLY 105 HN GLY 105 -4.339 10.973 -5.047 809 HA2 GLY 105 HA2 GLY 105 -5.128 13.191 -4.135 810 HA3 GLY 105 HA1 GLY 105 -6.749 12.595 -4.484 811 H SER 106 HN SER 106 -7.194 10.419 -3.502 812 HA SER 106 HA SER 106 -6.471 10.495 -0.701 813 HB2 SER 106 HB2 SER 106 -8.398 8.712 -2.199 814 HB3 SER 106 HB1 SER 106 -8.294 8.908 -0.456 815 HG SER 106 HG SER 106 -8.548 11.311 -1.536 816 H LEU 107 HN LEU 107 -5.486 8.640 0.334 817 HA LEU 107 HA LEU 107 -3.717 7.127 -1.250 818 HB2 LEU 107 HB2 LEU 107 -4.591 6.786 1.613 819 HB3 LEU 107 HB1 LEU 107 -3.477 5.677 0.852 820 HG LEU 107 HG LEU 107 -2.177 7.121 2.131 821 HD11 LEU 107 HD11 LEU 107 -2.019 8.163 -0.671 822 HD12 LEU 107 HD12 LEU 107 -1.277 6.694 -0.053 823 HD13 LEU 107 HD13 LEU 107 -0.762 8.268 0.562 824 HD21 LEU 107 HD21 LEU 107 -2.206 9.532 1.988 825 HD22 LEU 107 HD22 LEU 107 -3.756 8.891 2.557 826 HD23 LEU 107 HD23 LEU 107 -3.585 9.466 0.887 827 H SER 108 HN SER 108 -6.837 6.413 0.161 828 HA SER 108 HA SER 108 -7.050 3.712 -0.393 829 HB2 SER 108 HB2 SER 108 -8.680 4.968 0.961 830 HB3 SER 108 HB1 SER 108 -9.237 5.807 -0.482 831 HG SER 108 HG SER 108 -10.148 3.584 0.501 832 H ALA 109 HN ALA 109 -7.339 6.439 -2.551 833 HA ALA 109 HA ALA 109 -8.602 5.170 -4.722 834 HB1 ALA 109 HB1 ALA 109 -6.710 7.531 -4.717 835 HB2 ALA 109 HB2 ALA 109 -8.465 7.606 -4.558 836 HB3 ALA 109 HB3 ALA 109 -7.739 7.049 -6.064 837 H LEU 110 HN LEU 110 -5.152 5.712 -3.987 838 HA LEU 110 HA LEU 110 -4.374 4.223 -6.296 839 HB2 LEU 110 HB2 LEU 110 -2.032 4.501 -5.498 840 HB3 LEU 110 HB1 LEU 110 -2.900 6.003 -5.670 841 HG LEU 110 HG LEU 110 -3.212 5.894 -3.107 842 HD11 LEU 110 HD11 LEU 110 -0.933 3.932 -3.340 843 HD12 LEU 110 HD12 LEU 110 -2.558 3.584 -2.752 844 HD13 LEU 110 HD13 LEU 110 -1.522 4.678 -1.850 845 HD21 LEU 110 HD21 LEU 110 -0.472 6.313 -4.289 846 HD22 LEU 110 HD22 LEU 110 -1.030 6.921 -2.726 847 HD23 LEU 110 HD23 LEU 110 -1.777 7.499 -4.214 848 H VAL 111 HN VAL 111 -4.826 3.546 -2.949 849 HA VAL 111 HA VAL 111 -3.587 1.033 -2.859 850 HB VAL 111 HB VAL 111 -5.861 2.170 -1.191 851 HG11 VAL 111 HG11 VAL 111 -4.310 -0.378 -0.740 852 HG12 VAL 111 HG12 VAL 111 -6.022 -0.262 -1.141 853 HG13 VAL 111 HG13 VAL 111 -5.434 0.350 0.407 854 HG21 VAL 111 HG21 VAL 111 -4.120 2.361 0.529 855 HG22 VAL 111 HG22 VAL 111 -3.736 3.292 -0.917 856 HG23 VAL 111 HG23 VAL 111 -2.931 1.749 -0.624 857 H SER 112 HN SER 112 -6.929 1.921 -3.624 858 HA SER 112 HA SER 112 -7.656 -0.770 -4.150 859 HB2 SER 112 HB2 SER 112 -9.285 0.843 -3.439 860 HB3 SER 112 HB1 SER 112 -9.059 1.805 -4.908 861 HG SER 112 HG SER 112 -9.910 0.092 -6.090 862 H GLN 113 HN GLN 113 -6.016 1.583 -6.006 863 HA GLN 113 HA GLN 113 -6.703 0.524 -8.621 864 HB2 GLN 113 HB2 GLN 113 -6.216 2.951 -8.162 865 HB3 GLN 113 HB1 GLN 113 -4.571 2.501 -7.787 866 HG2 GLN 113 HG2 GLN 113 -4.675 3.438 -9.993 867 HG3 GLN 113 HG1 GLN 113 -4.244 1.735 -10.076 868 HE21 GLN 113 HE21 GLN 113 -7.547 2.899 -9.564 869 HE22 GLN 113 HE22 GLN 113 -8.138 2.369 -11.080 870 H HIS 114 HN HIS 114 -4.838 -0.464 -6.190 871 HA HIS 114 HA HIS 114 -2.260 -0.915 -6.783 872 HB2 HIS 114 HB2 HIS 114 -2.273 -2.733 -5.204 873 HB3 HIS 114 HB1 HIS 114 -3.323 -1.441 -4.642 874 HD1 HIS 114 HD1 HIS 114 -3.246 -4.981 -4.879 875 HD2 HIS 114 HD2 HIS 114 -6.225 -2.170 -5.478 876 HE1 HIS 114 HE1 HIS 114 -5.469 -6.249 -4.738 877 H SER 115 HN SER 115 -4.794 -3.181 -7.745 878 HA SER 115 HA SER 115 -2.756 -4.802 -9.060 879 HB2 SER 115 HB2 SER 115 -4.266 -5.750 -7.264 880 HB3 SER 115 HB1 SER 115 -5.611 -5.494 -8.340 881 HG SER 115 HG SER 115 -3.674 -6.813 -9.668 882 H ILE 116 HN ILE 116 -4.637 -2.321 -9.784 883 HA ILE 116 HA ILE 116 -5.607 -3.362 -12.334 884 HB ILE 116 HB ILE 116 -6.109 -0.639 -11.076 885 HG12 ILE 116 HG12 ILE 116 -7.949 -3.048 -11.179 886 HG13 ILE 116 HG11 ILE 116 -7.077 -2.525 -9.747 887 HG21 ILE 116 HG21 ILE 116 -7.425 -2.035 -13.425 888 HG22 ILE 116 HG22 ILE 116 -6.321 -0.661 -13.510 889 HG23 ILE 116 HG23 ILE 116 -7.905 -0.471 -12.758 890 HD11 ILE 116 HD11 ILE 116 -9.177 -0.942 -11.208 891 HD12 ILE 116 HD12 ILE 116 -8.321 -0.423 -9.761 892 HD13 ILE 116 HD13 ILE 116 -9.403 -1.819 -9.695 893 H SER 117 HN SER 117 -3.671 -0.734 -10.871 894 HA SER 117 HA SER 117 -2.055 -0.725 -13.284 895 HB2 SER 117 HB2 SER 117 -3.164 1.824 -12.071 896 HB3 SER 117 HB1 SER 117 -2.084 1.704 -13.457 897 HG SER 117 HG SER 117 -4.796 1.089 -13.211 898 HA PRO 118 HA PRO 118 0.633 -0.296 -9.620 899 HB2 PRO 118 HB2 PRO 118 2.314 -2.386 -10.658 900 HB3 PRO 118 HB1 PRO 118 1.287 -2.460 -9.223 901 HG2 PRO 118 HG2 PRO 118 0.867 -3.929 -11.545 902 HG3 PRO 118 HG1 PRO 118 -0.370 -3.573 -10.330 903 HD2 PRO 118 HD2 PRO 118 0.152 -2.237 -12.955 904 HD3 PRO 118 HD1 PRO 118 -1.398 -2.596 -12.158 905 H ILE 119 HN ILE 119 1.212 1.674 -10.602 906 HA ILE 119 HA ILE 119 2.894 1.529 -12.950 907 HB ILE 119 HB ILE 119 1.920 4.053 -11.556 908 HG12 ILE 119 HG12 ILE 119 0.692 2.560 -13.897 909 HG13 ILE 119 HG11 ILE 119 0.032 2.600 -12.268 910 HG21 ILE 119 HG21 ILE 119 3.852 4.296 -13.119 911 HG22 ILE 119 HG22 ILE 119 2.406 5.110 -13.703 912 HG23 ILE 119 HG23 ILE 119 2.878 3.560 -14.389 913 HD11 ILE 119 HD11 ILE 119 -1.155 4.122 -13.750 914 HD12 ILE 119 HD12 ILE 119 0.349 4.974 -14.099 915 HD13 ILE 119 HD13 ILE 119 -0.326 5.006 -12.472 916 H SER 120 HN SER 120 3.146 3.411 -9.869 917 HA SER 120 HA SER 120 5.938 3.625 -10.196 918 HB2 SER 120 HB2 SER 120 4.391 5.215 -8.947 919 HB3 SER 120 HB1 SER 120 4.406 4.042 -7.634 920 HG SER 120 HG SER 120 5.962 5.870 -7.677 921 H LEU 121 HN LEU 121 3.893 1.307 -8.562 922 HA LEU 121 HA LEU 121 6.113 0.201 -7.129 923 HB2 LEU 121 HB2 LEU 121 3.418 -1.075 -7.571 924 HB3 LEU 121 HB1 LEU 121 4.605 -1.533 -6.382 925 HG LEU 121 HG LEU 121 3.140 -0.478 -5.079 926 HD11 LEU 121 HD11 LEU 121 3.799 1.747 -4.441 927 HD12 LEU 121 HD12 LEU 121 4.814 1.841 -5.880 928 HD13 LEU 121 HD13 LEU 121 5.155 0.636 -4.637 929 HD21 LEU 121 HD21 LEU 121 1.499 0.056 -6.700 930 HD22 LEU 121 HD22 LEU 121 2.450 1.413 -7.316 931 HD23 LEU 121 HD23 LEU 121 1.744 1.478 -5.691 932 HA PRO 122 HA PRO 122 7.424 -2.260 -10.636 933 HB2 PRO 122 HB2 PRO 122 9.227 -3.810 -9.266 934 HB3 PRO 122 HB1 PRO 122 9.584 -2.165 -9.812 935 HG2 PRO 122 HG2 PRO 122 8.762 -3.149 -7.117 936 HG3 PRO 122 HG1 PRO 122 9.961 -1.914 -7.540 937 HD2 PRO 122 HD2 PRO 122 7.490 -1.310 -6.646 938 HD3 PRO 122 HD1 PRO 122 8.358 -0.278 -7.800 939 H CYS 123 HN CYS 123 6.197 -3.441 -7.668 940 HA CYS 123 HA CYS 123 5.491 -5.994 -8.903 941 HB2 CYS 123 HB2 CYS 123 5.908 -5.351 -5.968 942 HB3 CYS 123 HB1 CYS 123 5.417 -6.916 -6.608 943 HG CYS 123 HG CYS 123 7.982 -6.620 -8.270 944 H CYS 124 HN CYS 124 3.302 -6.608 -8.661 945 HA CYS 124 HA CYS 124 1.476 -4.492 -8.515 946 HB2 CYS 124 HB2 CYS 124 0.871 -7.442 -8.251 947 HB3 CYS 124 HB1 CYS 124 -0.238 -6.169 -8.726 948 HG CYS 124 HG CYS 124 0.191 -6.298 -11.209 949 H LEU 125 HN LEU 125 0.973 -3.461 -6.853 950 HA LEU 125 HA LEU 125 1.601 -3.989 -4.203 951 HB2 LEU 125 HB2 LEU 125 1.207 -1.806 -5.304 952 HB3 LEU 125 HB1 LEU 125 -0.496 -2.120 -5.348 953 HG LEU 125 HG LEU 125 -0.393 -2.223 -2.808 954 HD11 LEU 125 HD11 LEU 125 2.317 -1.027 -3.338 955 HD12 LEU 125 HD12 LEU 125 1.983 -2.596 -2.599 956 HD13 LEU 125 HD13 LEU 125 1.510 -1.117 -1.775 957 HD21 LEU 125 HD21 LEU 125 -0.393 0.216 -2.584 958 HD22 LEU 125 HD22 LEU 125 -1.294 -0.298 -4.013 959 HD23 LEU 125 HD23 LEU 125 0.330 0.365 -4.186 960 H ARG 126 HN ARG 126 0.459 -4.992 -2.527 961 HA ARG 126 HA ARG 126 -2.269 -5.919 -3.091 962 HB2 ARG 126 HB2 ARG 126 -0.036 -7.543 -1.833 963 HB3 ARG 126 HB1 ARG 126 -1.706 -8.063 -1.979 964 HG2 ARG 126 HG2 ARG 126 0.164 -7.499 -4.284 965 HG3 ARG 126 HG1 ARG 126 -0.268 -9.099 -3.674 966 HD2 ARG 126 HD2 ARG 126 -2.585 -8.724 -4.262 967 HD3 ARG 126 HD1 ARG 126 -2.213 -7.079 -4.776 968 HE ARG 126 HE ARG 126 -0.655 -8.334 -6.391 969 HH11 ARG 126 HH11 ARG 126 -3.658 -9.759 -5.297 970 HH12 ARG 126 HH12 ARG 126 -4.245 -10.211 -6.833 971 HH21 ARG 126 HH21 ARG 126 -1.368 -9.083 -8.601 972 HH22 ARG 126 HH22 ARG 126 -2.867 -9.837 -8.746 973 H ILE 127 HN ILE 127 -3.669 -5.727 -1.416 974 HA ILE 127 HA ILE 127 -2.774 -4.211 0.877 975 HB ILE 127 HB ILE 127 -5.565 -5.261 0.188 976 HG12 ILE 127 HG12 ILE 127 -6.053 -2.735 -0.131 977 HG13 ILE 127 HG11 ILE 127 -4.316 -2.569 -0.299 978 HG21 ILE 127 HG21 ILE 127 -4.777 -3.298 2.322 979 HG22 ILE 127 HG22 ILE 127 -5.417 -4.930 2.554 980 HG23 ILE 127 HG23 ILE 127 -6.432 -3.678 1.851 981 HD11 ILE 127 HD11 ILE 127 -6.092 -4.270 -2.045 982 HD12 ILE 127 HD12 ILE 127 -4.372 -4.018 -2.276 983 HD13 ILE 127 HD13 ILE 127 -5.495 -2.677 -2.438 984 HA PRO 128 HA PRO 128 -2.023 -7.821 3.442 985 HB2 PRO 128 HB2 PRO 128 -3.180 -6.067 5.565 986 HB3 PRO 128 HB1 PRO 128 -1.686 -7.007 5.594 987 HG2 PRO 128 HG2 PRO 128 -1.607 -4.379 5.247 988 HG3 PRO 128 HG1 PRO 128 -0.522 -5.438 4.331 989 HD2 PRO 128 HD2 PRO 128 -2.973 -3.997 3.433 990 HD3 PRO 128 HD1 PRO 128 -1.486 -4.360 2.535 991 H SER 129 HN SER 129 -5.001 -5.998 3.783 992 HA SER 129 HA SER 129 -6.508 -8.150 4.918 993 HB2 SER 129 HB2 SER 129 -7.546 -5.594 3.743 994 HB3 SER 129 HB1 SER 129 -8.255 -6.583 5.024 995 HG SER 129 HG SER 129 -6.583 -6.028 6.354 996 H LYS 130 HN LYS 130 -6.019 -6.784 1.658 997 HA LYS 130 HA LYS 130 -7.924 -8.689 0.601 998 HB2 LYS 130 HB2 LYS 130 -8.074 -5.734 0.167 999 HB3 LYS 130 HB1 LYS 130 -8.670 -6.844 -1.057 1000 HG2 LYS 130 HG2 LYS 130 -9.596 -6.785 1.807 1001 HG3 LYS 130 HG1 LYS 130 -10.442 -6.013 0.453 1002 HD2 LYS 130 HD2 LYS 130 -10.645 -8.232 -0.631 1003 HD3 LYS 130 HD1 LYS 130 -9.869 -8.971 0.766 1004 HE2 LYS 130 HE2 LYS 130 -11.700 -8.225 2.186 1005 HE3 LYS 130 HE1 LYS 130 -12.472 -7.463 0.794 1006 HZ1 LYS 130 HZ1 LYS 130 -13.443 -9.630 1.204 1007 HZ2 LYS 130 HZ2 LYS 130 -11.941 -10.376 1.105 1008 HZ3 LYS 130 HZ3 LYS 130 -12.604 -9.655 -0.254 1009 H ASP 131 HN ASP 131 -7.298 -9.741 -0.971 1010 HA ASP 131 HA ASP 131 -5.326 -8.770 -2.843 1011 HB2 ASP 131 HB2 ASP 131 -3.906 -9.923 -1.277 1012 HB3 ASP 131 HB1 ASP 131 -5.043 -11.263 -1.148 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -54.488 -1.543 -3.109 2 H2 MET 1 HT2 MET 1 -53.156 -0.541 -3.442 3 H3 MET 1 HT3 MET 1 -53.443 -1.015 -1.887 4 HA MET 1 HA MET 1 -52.941 -3.272 -2.392 5 HB2 MET 1 HB2 MET 1 -53.713 -3.339 -4.725 6 HB3 MET 1 HB1 MET 1 -52.448 -2.216 -5.187 7 HG2 MET 1 HG2 MET 1 -51.915 -4.524 -5.816 8 HG3 MET 1 HG1 MET 1 -50.744 -3.852 -4.684 9 HE1 MET 1 HE1 MET 1 -49.802 -6.283 -4.194 10 HE2 MET 1 HE2 MET 1 -50.962 -6.972 -5.330 11 HE3 MET 1 HE3 MET 1 -50.809 -7.646 -3.708 12 H HIS 2 HN HIS 2 -51.039 -3.778 -1.647 13 HA HIS 2 HA HIS 2 -48.841 -1.891 -2.016 14 HB2 HIS 2 HB2 HIS 2 -49.542 -1.835 0.303 15 HB3 HIS 2 HB1 HIS 2 -49.621 -3.587 0.377 16 HD1 HIS 2 HD1 HIS 2 -47.062 -0.769 0.300 17 HD2 HIS 2 HD2 HIS 2 -47.290 -4.853 1.029 18 HE1 HIS 2 HE1 HIS 2 -44.832 -1.432 1.241 19 H HIS 3 HN HIS 3 -47.388 -2.779 -3.326 20 HA HIS 3 HA HIS 3 -47.143 -5.670 -3.467 21 HB2 HIS 3 HB2 HIS 3 -45.702 -3.477 -4.986 22 HB3 HIS 3 HB1 HIS 3 -45.448 -5.194 -5.256 23 HD1 HIS 3 HD1 HIS 3 -47.717 -2.385 -6.160 24 HD2 HIS 3 HD2 HIS 3 -47.647 -6.530 -6.491 25 HE1 HIS 3 HE1 HIS 3 -49.482 -2.978 -7.838 26 H HIS 4 HN HIS 4 -45.920 -6.635 -2.081 27 HA HIS 4 HA HIS 4 -44.426 -5.178 -0.197 28 HB2 HIS 4 HB2 HIS 4 -43.832 -7.359 0.772 29 HB3 HIS 4 HB1 HIS 4 -45.559 -7.171 0.506 30 HD1 HIS 4 HD1 HIS 4 -46.679 -8.927 -1.000 31 HD2 HIS 4 HD2 HIS 4 -42.536 -9.229 -0.952 32 HE1 HIS 4 HE1 HIS 4 -46.130 -11.096 -2.127 33 H HIS 5 HN HIS 5 -42.317 -5.164 0.312 34 HA HIS 5 HA HIS 5 -40.436 -5.365 -1.850 35 HB2 HIS 5 HB2 HIS 5 -40.070 -4.765 1.109 36 HB3 HIS 5 HB1 HIS 5 -38.806 -4.658 -0.101 37 HD1 HIS 5 HD1 HIS 5 -41.709 -2.736 1.306 38 HD2 HIS 5 HD2 HIS 5 -38.990 -2.482 -1.827 39 HE1 HIS 5 HE1 HIS 5 -41.851 -0.383 0.451 40 H HIS 6 HN HIS 6 -39.558 -7.257 -2.325 41 HA HIS 6 HA HIS 6 -40.054 -9.599 -0.838 42 HB2 HIS 6 HB2 HIS 6 -37.899 -9.218 -2.944 43 HB3 HIS 6 HB1 HIS 6 -38.545 -10.749 -2.380 44 HD1 HIS 6 HD1 HIS 6 -40.689 -11.586 -3.503 45 HD2 HIS 6 HD2 HIS 6 -39.696 -7.699 -4.534 46 HE1 HIS 6 HE1 HIS 6 -42.205 -10.951 -5.386 47 H HIS 7 HN HIS 7 -36.915 -8.136 -1.513 48 HA HIS 7 HA HIS 7 -36.203 -8.687 1.271 49 HB2 HIS 7 HB2 HIS 7 -34.373 -9.130 -1.111 50 HB3 HIS 7 HB1 HIS 7 -33.873 -9.216 0.573 51 HD1 HIS 7 HD1 HIS 7 -35.152 -11.222 1.992 52 HD2 HIS 7 HD2 HIS 7 -35.284 -11.425 -2.153 53 HE1 HIS 7 HE1 HIS 7 -35.751 -13.596 1.432 54 H SER 8 HN SER 8 -35.331 -6.972 -1.688 55 HA SER 8 HA SER 8 -34.468 -5.004 -2.109 56 HB2 SER 8 HB2 SER 8 -35.958 -4.146 0.384 57 HB3 SER 8 HB1 SER 8 -35.413 -3.077 -0.914 58 HG SER 8 HG SER 8 -36.727 -4.960 -2.101 59 H SER 9 HN SER 9 -32.473 -5.940 -1.722 60 HA SER 9 HA SER 9 -31.109 -5.736 0.758 61 HB2 SER 9 HB2 SER 9 -30.090 -6.417 -1.996 62 HB3 SER 9 HB1 SER 9 -29.313 -6.792 -0.457 63 HG SER 9 HG SER 9 -31.250 -7.973 0.070 64 H GLY 10 HN GLY 10 -31.895 -3.161 0.082 65 HA2 GLY 10 HA2 GLY 10 -29.689 -1.734 -1.137 66 HA3 GLY 10 HA1 GLY 10 -31.117 -1.021 -0.394 67 H LEU 11 HN LEU 11 -28.671 -3.204 0.822 68 HA LEU 11 HA LEU 11 -28.109 -1.338 3.018 69 HB2 LEU 11 HB2 LEU 11 -27.964 -4.362 3.033 70 HB3 LEU 11 HB1 LEU 11 -27.615 -3.309 4.387 71 HG LEU 11 HG LEU 11 -30.328 -3.697 3.115 72 HD11 LEU 11 HD11 LEU 11 -29.616 -5.640 4.359 73 HD12 LEU 11 HD12 LEU 11 -30.906 -4.791 5.216 74 HD13 LEU 11 HD13 LEU 11 -29.235 -4.628 5.753 75 HD21 LEU 11 HD21 LEU 11 -31.165 -2.389 5.009 76 HD22 LEU 11 HD22 LEU 11 -30.068 -1.444 3.999 77 HD23 LEU 11 HD23 LEU 11 -29.506 -2.107 5.534 78 H VAL 12 HN VAL 12 -26.044 -0.735 3.082 79 HA VAL 12 HA VAL 12 -24.247 -1.995 1.177 80 HB VAL 12 HB VAL 12 -24.097 0.741 2.487 81 HG11 VAL 12 HG11 VAL 12 -22.206 1.190 0.986 82 HG12 VAL 12 HG12 VAL 12 -22.286 -0.465 0.387 83 HG13 VAL 12 HG13 VAL 12 -21.849 -0.160 2.066 84 HG21 VAL 12 HG21 VAL 12 -24.718 -0.096 -0.345 85 HG22 VAL 12 HG22 VAL 12 -24.488 1.565 0.190 86 HG23 VAL 12 HG23 VAL 12 -25.843 0.619 0.811 87 HA PRO 13 HA PRO 13 -22.022 -3.596 4.707 88 HB2 PRO 13 HB2 PRO 13 -19.930 -4.618 3.278 89 HB3 PRO 13 HB1 PRO 13 -21.482 -5.445 3.449 90 HG2 PRO 13 HG2 PRO 13 -20.424 -3.849 1.171 91 HG3 PRO 13 HG1 PRO 13 -21.405 -5.323 1.152 92 HD2 PRO 13 HD2 PRO 13 -22.410 -2.837 0.713 93 HD3 PRO 13 HD1 PRO 13 -23.365 -4.169 1.396 94 H ARG 14 HN ARG 14 -21.180 -1.958 5.835 95 HA ARG 14 HA ARG 14 -19.241 -0.215 4.594 96 HB2 ARG 14 HB2 ARG 14 -21.062 0.796 5.937 97 HB3 ARG 14 HB1 ARG 14 -20.479 -0.061 7.352 98 HG2 ARG 14 HG2 ARG 14 -18.437 1.206 7.352 99 HG3 ARG 14 HG1 ARG 14 -18.872 1.981 5.829 100 HD2 ARG 14 HD2 ARG 14 -19.295 3.473 7.709 101 HD3 ARG 14 HD1 ARG 14 -20.802 3.029 6.911 102 HE ARG 14 HE ARG 14 -19.935 1.564 9.277 103 HH11 ARG 14 HH11 ARG 14 -22.307 3.730 7.753 104 HH12 ARG 14 HH12 ARG 14 -23.350 3.754 9.099 105 HH21 ARG 14 HH21 ARG 14 -21.428 1.596 11.108 106 HH22 ARG 14 HH22 ARG 14 -22.866 2.513 11.014 107 H GLY 15 HN GLY 15 -17.722 -1.767 4.339 108 HA2 GLY 15 HA2 GLY 15 -15.925 -2.004 6.605 109 HA3 GLY 15 HA1 GLY 15 -16.430 -3.505 5.820 110 H SER 16 HN SER 16 -15.611 -0.298 4.719 111 HA SER 16 HA SER 16 -13.847 -1.460 2.673 112 HB2 SER 16 HB2 SER 16 -15.219 1.230 2.695 113 HB3 SER 16 HB1 SER 16 -14.457 0.422 1.321 114 HG SER 16 HG SER 16 -16.031 -1.240 1.572 115 H ASP 17 HN ASP 17 -13.543 -0.538 5.535 116 HA ASP 17 HA ASP 17 -11.609 1.621 5.221 117 HB2 ASP 17 HB2 ASP 17 -13.281 2.003 6.888 118 HB3 ASP 17 HB1 ASP 17 -12.900 0.493 7.702 119 H THR 18 HN THR 18 -9.994 0.404 4.289 120 HA THR 18 HA THR 18 -8.835 -1.684 5.924 121 HB THR 18 HB THR 18 -7.400 -2.060 3.900 122 HG1 THR 18 HG1 THR 18 -8.918 -0.749 2.143 123 HG21 THR 18 HG21 THR 18 -10.380 -2.011 3.469 124 HG22 THR 18 HG22 THR 18 -9.472 -3.316 4.231 125 HG23 THR 18 HG23 THR 18 -9.239 -2.960 2.513 126 H SER 19 HN SER 19 -8.727 1.475 5.783 127 HA SER 19 HA SER 19 -6.332 2.550 5.244 128 HB2 SER 19 HB2 SER 19 -7.899 3.323 7.663 129 HB3 SER 19 HB1 SER 19 -7.063 4.363 6.503 130 HG SER 19 HG SER 19 -9.578 3.484 6.486 131 H LYS 20 HN LYS 20 -7.258 1.542 8.558 132 HA LYS 20 HA LYS 20 -4.671 1.988 9.585 133 HB2 LYS 20 HB2 LYS 20 -5.439 1.114 11.684 134 HB3 LYS 20 HB1 LYS 20 -6.699 2.109 10.990 135 HG2 LYS 20 HG2 LYS 20 -6.669 -0.910 10.901 136 HG3 LYS 20 HG1 LYS 20 -7.494 0.039 12.127 137 HD2 LYS 20 HD2 LYS 20 -8.871 1.069 10.315 138 HD3 LYS 20 HD1 LYS 20 -8.087 -0.020 9.169 139 HE2 LYS 20 HE2 LYS 20 -8.896 -1.915 10.312 140 HE3 LYS 20 HE1 LYS 20 -9.583 -0.936 11.611 141 HZ1 LYS 20 HZ1 LYS 20 -11.378 -1.506 10.163 142 HZ2 LYS 20 HZ2 LYS 20 -10.529 -1.130 8.785 143 HZ3 LYS 20 HZ3 LYS 20 -11.031 0.105 9.799 144 H PHE 21 HN PHE 21 -5.774 -0.628 7.757 145 HA PHE 21 HA PHE 21 -4.150 -2.560 9.053 146 HB2 PHE 21 HB2 PHE 21 -5.616 -2.605 6.430 147 HB3 PHE 21 HB1 PHE 21 -4.526 -3.906 6.891 148 HD1 PHE 21 HD2 PHE 21 -5.060 -5.377 8.732 149 HD2 PHE 21 HD1 PHE 21 -7.726 -2.316 7.498 150 HE1 PHE 21 HE2 PHE 21 -6.874 -6.467 9.989 151 HE2 PHE 21 HE1 PHE 21 -9.545 -3.393 8.744 152 HZ PHE 21 HZ PHE 21 -9.126 -5.475 9.994 153 H TRP 22 HN TRP 22 -3.732 -0.128 6.688 154 HA TRP 22 HA TRP 22 -1.043 -1.123 6.240 155 HB2 TRP 22 HB2 TRP 22 -1.115 0.066 3.969 156 HB3 TRP 22 HB1 TRP 22 -1.961 -1.456 4.143 157 HD1 TRP 22 HD1 TRP 22 -4.482 -1.485 3.523 158 HE1 TRP 22 HE1 TRP 22 -6.162 0.266 2.659 159 HE3 TRP 22 HE3 TRP 22 -1.714 2.749 4.278 160 HZ2 TRP 22 HZ2 TRP 22 -6.282 3.074 2.317 161 HZ3 TRP 22 HZ3 TRP 22 -2.696 4.921 3.659 162 HH2 TRP 22 HH2 TRP 22 -4.932 5.072 2.709 163 H TYR 23 HN TYR 23 -2.904 1.619 7.137 164 HA TYR 23 HA TYR 23 -0.582 3.375 6.925 165 HB2 TYR 23 HB2 TYR 23 -2.945 4.049 6.265 166 HB3 TYR 23 HB1 TYR 23 -3.321 4.035 7.984 167 HD1 TYR 23 HD1 TYR 23 -1.420 5.668 5.339 168 HD2 TYR 23 HD2 TYR 23 -2.508 5.806 9.436 169 HE1 TYR 23 HE1 TYR 23 -0.586 7.944 5.458 170 HE2 TYR 23 HE2 TYR 23 -1.674 8.110 9.586 171 HH TYR 23 HH TYR 23 0.027 9.578 8.307 172 H LYS 24 HN LYS 24 0.787 3.393 8.558 173 HA LYS 24 HA LYS 24 -0.284 3.399 11.291 174 HB2 LYS 24 HB2 LYS 24 2.226 1.868 10.588 175 HB3 LYS 24 HB1 LYS 24 1.528 2.068 12.183 176 HG2 LYS 24 HG2 LYS 24 1.044 -0.091 11.641 177 HG3 LYS 24 HG1 LYS 24 -0.459 0.728 11.191 178 HD2 LYS 24 HD2 LYS 24 0.252 0.743 8.872 179 HD3 LYS 24 HD1 LYS 24 1.792 0.007 9.322 180 HE2 LYS 24 HE2 LYS 24 -0.951 -1.223 9.586 181 HE3 LYS 24 HE1 LYS 24 0.308 -1.697 8.449 182 HZ1 LYS 24 HZ1 LYS 24 1.661 -2.367 10.415 183 HZ2 LYS 24 HZ2 LYS 24 0.184 -3.189 10.320 184 HZ3 LYS 24 HZ3 LYS 24 0.366 -1.934 11.395 185 HA PRO 25 HA PRO 25 2.567 6.954 10.678 186 HB2 PRO 25 HB2 PRO 25 1.454 8.553 12.538 187 HB3 PRO 25 HB1 PRO 25 0.716 8.300 10.950 188 HG2 PRO 25 HG2 PRO 25 0.058 7.008 13.573 189 HG3 PRO 25 HG1 PRO 25 -1.042 7.688 12.361 190 HD2 PRO 25 HD2 PRO 25 -0.551 5.041 12.566 191 HD3 PRO 25 HD1 PRO 25 -0.905 5.826 11.014 192 H HIS 26 HN HIS 26 2.895 4.636 12.671 193 HA HIS 26 HA HIS 26 4.490 6.049 14.723 194 HB2 HIS 26 HB2 HIS 26 2.520 4.693 15.532 195 HB3 HIS 26 HB1 HIS 26 3.315 3.265 14.892 196 HD1 HIS 26 HD1 HIS 26 5.327 2.279 16.322 197 HD2 HIS 26 HD2 HIS 26 3.612 5.751 17.870 198 HE1 HIS 26 HE1 HIS 26 6.135 2.469 18.667 199 H LEU 27 HN LEU 27 4.542 3.887 12.074 200 HA LEU 27 HA LEU 27 6.854 2.406 12.879 201 HB2 LEU 27 HB2 LEU 27 5.182 2.473 10.391 202 HB3 LEU 27 HB1 LEU 27 6.735 1.677 10.376 203 HG LEU 27 HG LEU 27 4.748 0.144 10.683 204 HD11 LEU 27 HD11 LEU 27 5.722 -1.204 12.400 205 HD12 LEU 27 HD12 LEU 27 6.710 0.154 12.943 206 HD13 LEU 27 HD13 LEU 27 6.982 -0.557 11.343 207 HD21 LEU 27 HD21 LEU 27 4.670 1.340 13.431 208 HD22 LEU 27 HD22 LEU 27 3.701 -0.018 12.834 209 HD23 LEU 27 HD23 LEU 27 3.470 1.607 12.170 210 H SER 28 HN SER 28 8.823 3.044 12.745 211 HA SER 28 HA SER 28 9.520 5.363 11.238 212 HB2 SER 28 HB2 SER 28 11.721 4.990 12.386 213 HB3 SER 28 HB1 SER 28 10.331 5.135 13.469 214 HG SER 28 HG SER 28 11.206 3.382 14.237 215 H ARG 29 HN ARG 29 11.852 5.053 10.201 216 HA ARG 29 HA ARG 29 11.584 3.787 7.802 217 HB2 ARG 29 HB2 ARG 29 13.230 5.505 8.198 218 HB3 ARG 29 HB1 ARG 29 14.091 4.493 9.341 219 HG2 ARG 29 HG2 ARG 29 15.330 4.542 7.323 220 HG3 ARG 29 HG1 ARG 29 14.605 2.939 7.467 221 HD2 ARG 29 HD2 ARG 29 14.438 3.744 5.210 222 HD3 ARG 29 HD1 ARG 29 12.826 3.633 5.920 223 HE ARG 29 HE ARG 29 13.486 6.185 6.389 224 HH11 ARG 29 HH11 ARG 29 13.803 4.270 3.429 225 HH12 ARG 29 HH12 ARG 29 13.522 5.561 2.369 226 HH21 ARG 29 HH21 ARG 29 13.064 8.008 4.941 227 HH22 ARG 29 HH22 ARG 29 13.083 7.754 3.269 228 H ASP 30 HN ASP 30 13.480 2.620 10.570 229 HA ASP 30 HA ASP 30 14.124 0.150 9.273 230 HB2 ASP 30 HB2 ASP 30 15.304 -0.488 11.256 231 HB3 ASP 30 HB1 ASP 30 15.584 1.232 11.028 232 H GLN 31 HN GLN 31 11.654 1.179 11.472 233 HA GLN 31 HA GLN 31 10.832 -1.430 12.242 234 HB2 GLN 31 HB2 GLN 31 9.442 1.223 12.418 235 HB3 GLN 31 HB1 GLN 31 8.747 -0.269 13.026 236 HG2 GLN 31 HG2 GLN 31 11.328 0.957 13.918 237 HG3 GLN 31 HG1 GLN 31 9.796 1.044 14.784 238 HE21 GLN 31 HE21 GLN 31 12.539 -0.917 13.986 239 HE22 GLN 31 HE22 GLN 31 12.112 -2.232 15.021 240 H ALA 32 HN ALA 32 9.906 0.742 9.685 241 HA ALA 32 HA ALA 32 7.645 -0.605 8.749 242 HB1 ALA 32 HB1 ALA 32 8.283 1.627 7.963 243 HB2 ALA 32 HB2 ALA 32 8.132 0.521 6.593 244 HB3 ALA 32 HB3 ALA 32 9.724 0.950 7.204 245 H ILE 33 HN ILE 33 11.061 -0.912 8.052 246 HA ILE 33 HA ILE 33 10.952 -2.956 6.110 247 HB ILE 33 HB ILE 33 13.152 -2.238 8.066 248 HG12 ILE 33 HG12 ILE 33 12.836 -1.436 5.171 249 HG13 ILE 33 HG11 ILE 33 12.342 -0.425 6.524 250 HG21 ILE 33 HG21 ILE 33 14.672 -3.359 6.491 251 HG22 ILE 33 HG22 ILE 33 13.289 -3.864 5.518 252 HG23 ILE 33 HG23 ILE 33 13.487 -4.487 7.155 253 HD11 ILE 33 HD11 ILE 33 15.142 -1.360 5.929 254 HD12 ILE 33 HD12 ILE 33 14.628 -0.379 7.308 255 HD13 ILE 33 HD13 ILE 33 14.477 0.265 5.675 256 H ALA 34 HN ALA 34 11.388 -2.960 9.596 257 HA ALA 34 HA ALA 34 11.706 -5.709 10.041 258 HB1 ALA 34 HB1 ALA 34 12.114 -3.967 11.740 259 HB2 ALA 34 HB2 ALA 34 11.066 -5.276 12.317 260 HB3 ALA 34 HB3 ALA 34 10.358 -3.734 11.845 261 H LEU 35 HN LEU 35 8.897 -3.817 9.465 262 HA LEU 35 HA LEU 35 6.975 -5.750 10.334 263 HB2 LEU 35 HB2 LEU 35 6.904 -3.111 9.947 264 HB3 LEU 35 HB1 LEU 35 6.416 -3.586 8.341 265 HG LEU 35 HG LEU 35 4.487 -3.008 9.656 266 HD11 LEU 35 HD11 LEU 35 4.134 -4.782 8.065 267 HD12 LEU 35 HD12 LEU 35 3.142 -5.025 9.504 268 HD13 LEU 35 HD13 LEU 35 4.611 -5.976 9.272 269 HD21 LEU 35 HD21 LEU 35 3.872 -4.179 11.667 270 HD22 LEU 35 HD22 LEU 35 5.461 -3.400 11.836 271 HD23 LEU 35 HD23 LEU 35 5.361 -5.134 11.588 272 H LEU 36 HN LEU 36 8.171 -4.538 7.238 273 HA LEU 36 HA LEU 36 6.632 -6.290 5.625 274 HB2 LEU 36 HB2 LEU 36 8.889 -4.464 5.060 275 HB3 LEU 36 HB1 LEU 36 8.139 -5.410 3.812 276 HG LEU 36 HG LEU 36 6.875 -3.258 5.487 277 HD11 LEU 36 HD11 LEU 36 7.524 -3.480 2.566 278 HD12 LEU 36 HD12 LEU 36 8.323 -2.460 3.766 279 HD13 LEU 36 HD13 LEU 36 6.645 -2.153 3.322 280 HD21 LEU 36 HD21 LEU 36 4.893 -3.568 4.077 281 HD22 LEU 36 HD22 LEU 36 5.199 -4.961 5.104 282 HD23 LEU 36 HD23 LEU 36 5.615 -5.022 3.383 283 H LYS 37 HN LYS 37 9.798 -6.605 6.974 284 HA LYS 37 HA LYS 37 10.931 -8.263 5.067 285 HB2 LYS 37 HB2 LYS 37 12.492 -9.037 6.825 286 HB3 LYS 37 HB1 LYS 37 12.323 -7.292 6.777 287 HG2 LYS 37 HG2 LYS 37 10.766 -7.432 8.682 288 HG3 LYS 37 HG1 LYS 37 11.061 -9.169 8.764 289 HD2 LYS 37 HD2 LYS 37 13.158 -7.013 9.073 290 HD3 LYS 37 HD1 LYS 37 12.396 -7.883 10.400 291 HE2 LYS 37 HE2 LYS 37 13.307 -9.991 9.447 292 HE3 LYS 37 HE1 LYS 37 14.135 -9.021 8.229 293 HZ1 LYS 37 HZ1 LYS 37 15.600 -9.576 10.056 294 HZ2 LYS 37 HZ2 LYS 37 14.563 -8.865 11.154 295 HZ3 LYS 37 HZ3 LYS 37 15.354 -7.910 9.993 296 H ASP 38 HN ASP 38 8.701 -9.134 7.595 297 HA ASP 38 HA ASP 38 9.021 -11.967 6.999 298 HB2 ASP 38 HB2 ASP 38 8.631 -11.287 9.332 299 HB3 ASP 38 HB1 ASP 38 7.097 -10.564 8.870 300 H LYS 39 HN LYS 39 7.153 -9.350 5.960 301 HA LYS 39 HA LYS 39 4.798 -10.868 5.440 302 HB2 LYS 39 HB2 LYS 39 5.407 -8.015 4.756 303 HB3 LYS 39 HB1 LYS 39 3.875 -8.822 4.455 304 HG2 LYS 39 HG2 LYS 39 3.739 -9.291 6.905 305 HG3 LYS 39 HG1 LYS 39 5.149 -8.247 7.117 306 HD2 LYS 39 HD2 LYS 39 3.194 -6.942 7.547 307 HD3 LYS 39 HD1 LYS 39 3.850 -6.421 5.996 308 HE2 LYS 39 HE2 LYS 39 1.437 -6.619 5.871 309 HE3 LYS 39 HE1 LYS 39 2.183 -7.831 4.840 310 HZ1 LYS 39 HZ1 LYS 39 1.047 -8.283 7.548 311 HZ2 LYS 39 HZ2 LYS 39 1.791 -9.481 6.653 312 HZ3 LYS 39 HZ3 LYS 39 0.380 -8.792 6.108 313 H ASP 40 HN ASP 40 3.660 -10.676 3.504 314 HA ASP 40 HA ASP 40 4.596 -12.235 1.471 315 HB2 ASP 40 HB2 ASP 40 2.396 -10.182 1.328 316 HB3 ASP 40 HB1 ASP 40 2.548 -11.640 0.367 317 HA PRO 41 HA PRO 41 6.632 -9.175 -1.224 318 HB2 PRO 41 HB2 PRO 41 5.995 -11.222 -3.279 319 HB3 PRO 41 HB1 PRO 41 7.553 -10.483 -2.889 320 HG2 PRO 41 HG2 PRO 41 7.044 -13.010 -2.208 321 HG3 PRO 41 HG1 PRO 41 7.961 -11.940 -1.135 322 HD2 PRO 41 HD2 PRO 41 5.097 -12.793 -0.952 323 HD3 PRO 41 HD1 PRO 41 6.307 -12.581 0.335 324 H GLY 42 HN GLY 42 5.260 -7.569 -1.569 325 HA2 GLY 42 HA2 GLY 42 3.745 -6.719 -3.345 326 HA3 GLY 42 HA1 GLY 42 2.713 -8.088 -2.934 327 H ALA 43 HN ALA 43 3.736 -7.621 -0.052 328 HA ALA 43 HA ALA 43 1.488 -5.981 0.700 329 HB1 ALA 43 HB1 ALA 43 2.018 -8.008 1.972 330 HB2 ALA 43 HB2 ALA 43 2.075 -6.572 2.995 331 HB3 ALA 43 HB3 ALA 43 3.572 -7.313 2.430 332 H PHE 44 HN PHE 44 1.676 -4.138 2.180 333 HA PHE 44 HA PHE 44 4.180 -2.667 2.030 334 HB2 PHE 44 HB2 PHE 44 3.228 -0.815 0.873 335 HB3 PHE 44 HB1 PHE 44 2.869 -2.243 -0.084 336 HD1 PHE 44 HD2 PHE 44 0.469 -3.349 0.537 337 HD2 PHE 44 HD1 PHE 44 1.541 0.720 1.169 338 HE1 PHE 44 HE2 PHE 44 -1.905 -2.723 0.552 339 HE2 PHE 44 HE1 PHE 44 -0.833 1.342 1.186 340 HZ PHE 44 HZ PHE 44 -2.556 -0.378 0.877 341 H LEU 45 HN LEU 45 3.769 -0.480 3.076 342 HA LEU 45 HA LEU 45 1.404 -0.129 4.599 343 HB2 LEU 45 HB2 LEU 45 2.320 0.109 6.793 344 HB3 LEU 45 HB1 LEU 45 2.850 -1.444 6.214 345 HG LEU 45 HG LEU 45 4.601 1.024 6.252 346 HD11 LEU 45 HD11 LEU 45 4.441 -1.267 8.202 347 HD12 LEU 45 HD12 LEU 45 3.939 0.396 8.506 348 HD13 LEU 45 HD13 LEU 45 5.640 0.026 8.221 349 HD21 LEU 45 HD21 LEU 45 5.261 -1.897 5.951 350 HD22 LEU 45 HD22 LEU 45 6.423 -0.569 5.975 351 HD23 LEU 45 HD23 LEU 45 5.265 -0.713 4.648 352 H ILE 46 HN ILE 46 1.120 1.992 5.199 353 HA ILE 46 HA ILE 46 2.994 3.876 3.949 354 HB ILE 46 HB ILE 46 -0.028 4.152 4.211 355 HG12 ILE 46 HG12 ILE 46 1.679 3.781 1.744 356 HG13 ILE 46 HG11 ILE 46 0.609 2.567 2.443 357 HG21 ILE 46 HG21 ILE 46 0.233 6.212 2.887 358 HG22 ILE 46 HG22 ILE 46 1.983 6.008 2.934 359 HG23 ILE 46 HG23 ILE 46 1.092 6.305 4.426 360 HD11 ILE 46 HD11 ILE 46 -1.328 3.969 1.925 361 HD12 ILE 46 HD12 ILE 46 -0.388 3.641 0.468 362 HD13 ILE 46 HD13 ILE 46 -0.269 5.207 1.262 363 H ARG 47 HN ARG 47 3.679 5.473 5.257 364 HA ARG 47 HA ARG 47 2.112 6.143 7.590 365 HB2 ARG 47 HB2 ARG 47 3.895 6.009 9.169 366 HB3 ARG 47 HB1 ARG 47 3.823 4.456 8.372 367 HG2 ARG 47 HG2 ARG 47 5.780 6.602 7.612 368 HG3 ARG 47 HG1 ARG 47 6.124 5.405 8.858 369 HD2 ARG 47 HD2 ARG 47 5.778 3.639 7.116 370 HD3 ARG 47 HD1 ARG 47 5.634 4.932 5.911 371 HE ARG 47 HE ARG 47 7.954 5.158 7.500 372 HH11 ARG 47 HH11 ARG 47 6.659 3.625 4.605 373 HH12 ARG 47 HH12 ARG 47 8.184 3.137 4.011 374 HH21 ARG 47 HH21 ARG 47 10.002 4.528 6.708 375 HH22 ARG 47 HH22 ARG 47 10.154 3.637 5.244 376 H ASP 48 HN ASP 48 2.804 8.215 8.475 377 HA ASP 48 HA ASP 48 3.391 10.206 6.648 378 HB2 ASP 48 HB2 ASP 48 3.983 10.055 9.605 379 HB3 ASP 48 HB1 ASP 48 4.054 11.529 8.651 380 H SER 49 HN SER 49 5.309 10.894 5.768 381 HA SER 49 HA SER 49 7.538 9.216 6.305 382 HB2 SER 49 HB2 SER 49 7.112 10.024 3.983 383 HB3 SER 49 HB1 SER 49 7.410 11.677 4.521 384 HG SER 49 HG SER 49 9.162 9.769 3.786 385 H HIS 50 HN HIS 50 8.800 9.465 7.890 386 HA HIS 50 HA HIS 50 9.005 11.869 9.438 387 HB2 HIS 50 HB2 HIS 50 10.468 9.261 9.423 388 HB3 HIS 50 HB1 HIS 50 10.908 10.546 10.533 389 HD1 HIS 50 HD1 HIS 50 9.716 10.362 12.774 390 HD2 HIS 50 HD2 HIS 50 7.649 8.433 9.733 391 HE1 HIS 50 HE1 HIS 50 7.761 9.201 13.875 392 H SER 51 HN SER 51 10.387 10.629 6.686 393 HA SER 51 HA SER 51 12.903 11.971 6.821 394 HB2 SER 51 HB2 SER 51 11.493 10.558 4.575 395 HB3 SER 51 HB1 SER 51 13.226 10.924 4.677 396 HG SER 51 HG SER 51 12.788 9.673 6.842 397 H PHE 52 HN PHE 52 9.806 12.249 5.005 398 HA PHE 52 HA PHE 52 10.557 15.009 4.385 399 HB2 PHE 52 HB2 PHE 52 9.085 13.129 2.577 400 HB3 PHE 52 HB1 PHE 52 9.420 14.818 2.247 401 HD1 PHE 52 HD2 PHE 52 11.757 15.572 2.045 402 HD2 PHE 52 HD1 PHE 52 10.700 11.481 2.093 403 HE1 PHE 52 HE2 PHE 52 13.935 15.007 1.011 404 HE2 PHE 52 HE1 PHE 52 12.836 10.881 1.085 405 HZ PHE 52 HZ PHE 52 14.482 12.649 0.531 406 H GLN 53 HN GLN 53 9.167 16.418 4.870 407 HA GLN 53 HA GLN 53 6.762 15.609 6.238 408 HB2 GLN 53 HB2 GLN 53 8.012 18.320 5.861 409 HB3 GLN 53 HB1 GLN 53 6.605 17.985 6.871 410 HG2 GLN 53 HG2 GLN 53 9.316 16.772 7.199 411 HG3 GLN 53 HG1 GLN 53 8.694 18.116 8.173 412 HE21 GLN 53 HE21 GLN 53 9.550 15.426 8.982 413 HE22 GLN 53 HE22 GLN 53 8.181 14.714 9.755 414 H GLY 54 HN GLY 54 4.798 15.691 5.469 415 HA2 GLY 54 HA2 GLY 54 3.033 16.499 4.161 416 HA3 GLY 54 HA1 GLY 54 4.201 17.370 3.167 417 H ALA 55 HN ALA 55 5.046 14.194 3.932 418 HA ALA 55 HA ALA 55 4.031 13.136 1.431 419 HB1 ALA 55 HB1 ALA 55 6.346 13.863 1.000 420 HB2 ALA 55 HB2 ALA 55 6.241 12.104 1.008 421 HB3 ALA 55 HB3 ALA 55 6.900 12.950 2.400 422 H TYR 56 HN TYR 56 4.092 10.809 1.476 423 HA TYR 56 HA TYR 56 4.129 9.658 4.202 424 HB2 TYR 56 HB2 TYR 56 2.371 8.806 1.888 425 HB3 TYR 56 HB1 TYR 56 2.346 8.175 3.525 426 HD1 TYR 56 HD2 TYR 56 1.669 9.796 5.398 427 HD2 TYR 56 HD1 TYR 56 0.998 10.580 1.276 428 HE1 TYR 56 HE2 TYR 56 -0.071 11.426 5.994 429 HE2 TYR 56 HE1 TYR 56 -0.741 12.211 1.860 430 HH TYR 56 HH TYR 56 -1.118 13.399 4.977 431 H GLY 57 HN GLY 57 5.401 7.942 4.406 432 HA2 GLY 57 HA2 GLY 57 6.962 7.266 2.067 433 HA3 GLY 57 HA1 GLY 57 7.355 6.765 3.694 434 H LEU 58 HN LEU 58 6.400 5.742 0.801 435 HA LEU 58 HA LEU 58 4.599 3.629 1.646 436 HB2 LEU 58 HB2 LEU 58 4.102 4.976 -0.390 437 HB3 LEU 58 HB1 LEU 58 5.627 4.498 -1.081 438 HG LEU 58 HG LEU 58 3.638 3.397 -2.091 439 HD11 LEU 58 HD11 LEU 58 5.540 1.470 -0.792 440 HD12 LEU 58 HD12 LEU 58 5.756 2.292 -2.336 441 HD13 LEU 58 HD13 LEU 58 4.462 1.110 -2.142 442 HD21 LEU 58 HD21 LEU 58 2.237 3.186 -0.165 443 HD22 LEU 58 HD22 LEU 58 3.377 2.069 0.589 444 HD23 LEU 58 HD23 LEU 58 2.510 1.595 -0.875 445 H ALA 59 HN ALA 59 5.505 1.785 2.256 446 HA ALA 59 HA ALA 59 8.136 1.098 1.158 447 HB1 ALA 59 HB1 ALA 59 8.245 1.443 3.586 448 HB2 ALA 59 HB2 ALA 59 8.463 -0.263 3.190 449 HB3 ALA 59 HB3 ALA 59 6.916 0.304 3.807 450 H LEU 60 HN LEU 60 8.194 -0.720 0.022 451 HA LEU 60 HA LEU 60 5.817 -2.458 0.089 452 HB2 LEU 60 HB2 LEU 60 5.742 -1.052 -1.883 453 HB3 LEU 60 HB1 LEU 60 7.373 -1.516 -2.310 454 HG LEU 60 HG LEU 60 6.556 -3.860 -2.613 455 HD11 LEU 60 HD11 LEU 60 4.567 -3.764 -1.237 456 HD12 LEU 60 HD12 LEU 60 4.157 -4.220 -2.890 457 HD13 LEU 60 HD13 LEU 60 3.855 -2.577 -2.324 458 HD21 LEU 60 HD21 LEU 60 5.211 -1.780 -4.308 459 HD22 LEU 60 HD22 LEU 60 5.545 -3.449 -4.776 460 HD23 LEU 60 HD23 LEU 60 6.878 -2.326 -4.490 461 H LYS 61 HN LYS 61 6.286 -4.525 0.408 462 HA LYS 61 HA LYS 61 9.044 -5.442 0.358 463 HB2 LYS 61 HB2 LYS 61 7.622 -6.119 2.233 464 HB3 LYS 61 HB1 LYS 61 6.441 -6.772 1.128 465 HG2 LYS 61 HG2 LYS 61 7.764 -8.524 2.217 466 HG3 LYS 61 HG1 LYS 61 7.975 -8.542 0.463 467 HD2 LYS 61 HD2 LYS 61 10.104 -7.337 0.777 468 HD3 LYS 61 HD1 LYS 61 9.868 -7.416 2.528 469 HE2 LYS 61 HE2 LYS 61 10.128 -9.762 0.640 470 HE3 LYS 61 HE1 LYS 61 11.351 -9.203 1.772 471 HZ1 LYS 61 HZ1 LYS 61 8.674 -10.308 2.551 472 HZ2 LYS 61 HZ2 LYS 61 9.868 -9.799 3.618 473 HZ3 LYS 61 HZ3 LYS 61 10.147 -11.111 2.628 474 H VAL 62 HN VAL 62 9.803 -6.147 -1.539 475 HA VAL 62 HA VAL 62 7.883 -7.380 -3.378 476 HB VAL 62 HB VAL 62 9.496 -6.972 -5.194 477 HG11 VAL 62 HG11 VAL 62 8.875 -4.519 -3.577 478 HG12 VAL 62 HG12 VAL 62 7.837 -5.268 -4.804 479 HG13 VAL 62 HG13 VAL 62 9.357 -4.515 -5.272 480 HG21 VAL 62 HG21 VAL 62 11.485 -5.587 -4.836 481 HG22 VAL 62 HG22 VAL 62 11.568 -7.088 -3.907 482 HG23 VAL 62 HG23 VAL 62 11.160 -5.575 -3.100 483 H ALA 63 HN ALA 63 8.992 -9.120 -4.795 484 HA ALA 63 HA ALA 63 10.046 -11.068 -2.944 485 HB1 ALA 63 HB1 ALA 63 9.519 -11.268 -5.916 486 HB2 ALA 63 HB2 ALA 63 8.392 -11.733 -4.643 487 HB3 ALA 63 HB3 ALA 63 9.909 -12.609 -4.843 488 H THR 64 HN THR 64 11.028 -9.463 -5.893 489 HA THR 64 HA THR 64 13.721 -9.110 -5.122 490 HB THR 64 HB THR 64 14.446 -10.297 -7.369 491 HG1 THR 64 HG1 THR 64 12.638 -11.126 -8.119 492 HG21 THR 64 HG21 THR 64 15.430 -10.890 -5.205 493 HG22 THR 64 HG22 THR 64 15.116 -12.344 -6.151 494 HG23 THR 64 HG23 THR 64 14.032 -11.897 -4.833 495 HA PRO 65 HA PRO 65 12.642 -5.935 -8.182 496 HB2 PRO 65 HB2 PRO 65 15.433 -5.041 -7.627 497 HB3 PRO 65 HB1 PRO 65 13.938 -4.103 -7.580 498 HG2 PRO 65 HG2 PRO 65 15.192 -4.821 -5.321 499 HG3 PRO 65 HG1 PRO 65 13.422 -4.775 -5.423 500 HD2 PRO 65 HD2 PRO 65 15.277 -7.130 -5.556 501 HD3 PRO 65 HD1 PRO 65 13.704 -6.977 -4.711 502 HA PRO 66 HA PRO 66 16.292 -7.597 -11.022 503 HB2 PRO 66 HB2 PRO 66 18.042 -9.362 -9.978 504 HB3 PRO 66 HB1 PRO 66 18.263 -7.639 -9.635 505 HG2 PRO 66 HG2 PRO 66 16.832 -9.635 -7.978 506 HG3 PRO 66 HG1 PRO 66 18.189 -8.588 -7.501 507 HD2 PRO 66 HD2 PRO 66 15.744 -8.022 -7.017 508 HD3 PRO 66 HD1 PRO 66 16.855 -6.707 -7.531 509 HA PRO 67 HA PRO 67 14.045 -11.509 -11.607 510 HB2 PRO 67 HB2 PRO 67 16.108 -12.276 -13.574 511 HB3 PRO 67 HB1 PRO 67 14.378 -12.029 -13.813 512 HG2 PRO 67 HG2 PRO 67 16.173 -10.279 -14.766 513 HG3 PRO 67 HG1 PRO 67 14.604 -9.750 -14.133 514 HD2 PRO 67 HD2 PRO 67 17.298 -9.671 -12.828 515 HD3 PRO 67 HD1 PRO 67 16.003 -8.456 -12.830 516 H SER 68 HN SER 68 17.601 -11.913 -11.815 517 HA SER 68 HA SER 68 17.319 -14.466 -10.386 518 HB2 SER 68 HB2 SER 68 19.683 -13.475 -11.985 519 HB3 SER 68 HB1 SER 68 19.429 -15.106 -11.366 520 HG SER 68 HG SER 68 18.459 -15.495 -13.138 521 H ALA 69 HN ALA 69 18.526 -11.307 -10.161 522 HA ALA 69 HA ALA 69 19.525 -10.083 -8.577 523 HB1 ALA 69 HB1 ALA 69 19.535 -10.818 -6.254 524 HB2 ALA 69 HB2 ALA 69 19.034 -12.452 -6.746 525 HB3 ALA 69 HB3 ALA 69 17.981 -11.047 -7.035 526 H GLN 70 HN GLN 70 21.010 -11.575 -10.376 527 HA GLN 70 HA GLN 70 23.262 -12.697 -9.165 528 HB2 GLN 70 HB2 GLN 70 22.882 -13.100 -11.519 529 HB3 GLN 70 HB1 GLN 70 23.064 -11.388 -11.884 530 HG2 GLN 70 HG2 GLN 70 25.390 -11.469 -11.164 531 HG3 GLN 70 HG1 GLN 70 25.216 -13.171 -10.765 532 HE21 GLN 70 HE21 GLN 70 23.771 -11.730 -13.598 533 HE22 GLN 70 HE22 GLN 70 24.798 -12.531 -14.723 534 HA PRO 71 HA PRO 71 25.282 -8.357 -9.082 535 HB2 PRO 71 HB2 PRO 71 23.082 -6.462 -8.972 536 HB3 PRO 71 HB1 PRO 71 24.559 -6.405 -9.946 537 HG2 PRO 71 HG2 PRO 71 22.126 -6.865 -11.065 538 HG3 PRO 71 HG1 PRO 71 23.619 -7.589 -11.692 539 HD2 PRO 71 HD2 PRO 71 21.506 -8.804 -9.958 540 HD3 PRO 71 HD1 PRO 71 22.386 -9.514 -11.327 541 H TRP 72 HN TRP 72 25.329 -9.470 -7.266 542 HA TRP 72 HA TRP 72 23.594 -8.926 -5.031 543 HB2 TRP 72 HB2 TRP 72 24.398 -11.179 -5.358 544 HB3 TRP 72 HB1 TRP 72 26.066 -10.617 -5.319 545 HD1 TRP 72 HD1 TRP 72 27.061 -9.853 -2.994 546 HE1 TRP 72 HE1 TRP 72 26.444 -10.353 -0.626 547 HE3 TRP 72 HE3 TRP 72 22.410 -11.772 -3.845 548 HZ2 TRP 72 HZ2 TRP 72 24.221 -11.500 0.791 549 HZ3 TRP 72 HZ3 TRP 72 21.100 -12.562 -1.916 550 HH2 TRP 72 HH2 TRP 72 21.988 -12.426 0.353 551 H LYS 73 HN LYS 73 24.097 -7.660 -3.326 552 HA LYS 73 HA LYS 73 26.606 -6.185 -3.606 553 HB2 LYS 73 HB2 LYS 73 23.910 -5.140 -2.879 554 HB3 LYS 73 HB1 LYS 73 25.378 -4.177 -3.002 555 HG2 LYS 73 HG2 LYS 73 25.522 -4.480 -5.317 556 HG3 LYS 73 HG1 LYS 73 24.359 -5.807 -5.286 557 HD2 LYS 73 HD2 LYS 73 23.819 -3.000 -4.577 558 HD3 LYS 73 HD1 LYS 73 23.474 -3.699 -6.175 559 HE2 LYS 73 HE2 LYS 73 22.144 -4.315 -3.504 560 HE3 LYS 73 HE1 LYS 73 21.389 -3.721 -4.971 561 HZ1 LYS 73 HZ1 LYS 73 20.802 -5.941 -4.933 562 HZ2 LYS 73 HZ2 LYS 73 22.220 -6.460 -4.290 563 HZ3 LYS 73 HZ3 LYS 73 22.158 -6.054 -5.940 564 H GLY 74 HN GLY 74 25.271 -8.317 -1.697 565 HA2 GLY 74 HA2 GLY 74 25.669 -8.823 0.542 566 HA3 GLY 74 HA1 GLY 74 26.366 -7.208 0.758 567 H ASP 75 HN ASP 75 23.434 -7.661 -0.856 568 HA ASP 75 HA ASP 75 22.100 -5.989 1.019 569 HB2 ASP 75 HB2 ASP 75 20.302 -5.986 -0.735 570 HB3 ASP 75 HB1 ASP 75 21.859 -5.371 -1.256 571 HA PRO 76 HA PRO 76 19.843 -9.499 2.627 572 HB2 PRO 76 HB2 PRO 76 19.050 -8.348 4.885 573 HB3 PRO 76 HB1 PRO 76 20.761 -8.712 4.636 574 HG2 PRO 76 HG2 PRO 76 19.355 -6.096 4.528 575 HG3 PRO 76 HG1 PRO 76 21.019 -6.463 5.009 576 HD2 PRO 76 HD2 PRO 76 20.122 -5.515 2.479 577 HD3 PRO 76 HD1 PRO 76 21.763 -6.037 2.934 578 H VAL 77 HN VAL 77 17.555 -9.263 4.008 579 HA VAL 77 HA VAL 77 15.561 -8.899 2.128 580 HB VAL 77 HB VAL 77 15.317 -10.322 4.096 581 HG11 VAL 77 HG11 VAL 77 14.783 -9.424 6.287 582 HG12 VAL 77 HG12 VAL 77 15.076 -7.790 5.687 583 HG13 VAL 77 HG13 VAL 77 16.399 -8.956 5.758 584 HG21 VAL 77 HG21 VAL 77 13.297 -9.638 2.942 585 HG22 VAL 77 HG22 VAL 77 13.184 -8.197 3.950 586 HG23 VAL 77 HG23 VAL 77 12.986 -9.795 4.672 587 H GLU 78 HN GLU 78 17.063 -6.516 4.073 588 HA GLU 78 HA GLU 78 15.086 -4.528 4.202 589 HB2 GLU 78 HB2 GLU 78 18.070 -4.143 3.980 590 HB3 GLU 78 HB1 GLU 78 16.914 -2.961 4.570 591 HG2 GLU 78 HG2 GLU 78 16.379 -4.461 6.450 592 HG3 GLU 78 HG1 GLU 78 17.590 -5.592 5.859 593 H GLN 79 HN GLN 79 17.312 -5.467 1.630 594 HA GLN 79 HA GLN 79 16.818 -3.096 0.090 595 HB2 GLN 79 HB2 GLN 79 18.992 -4.260 -0.038 596 HB3 GLN 79 HB1 GLN 79 18.197 -5.691 -0.664 597 HG2 GLN 79 HG2 GLN 79 17.975 -3.120 -2.186 598 HG3 GLN 79 HG1 GLN 79 19.483 -4.019 -2.250 599 HE21 GLN 79 HE21 GLN 79 18.337 -6.645 -2.210 600 HE22 GLN 79 HE22 GLN 79 17.533 -6.876 -3.697 601 H LEU 80 HN LEU 80 15.294 -6.061 0.566 602 HA LEU 80 HA LEU 80 13.861 -6.066 -1.928 603 HB2 LEU 80 HB2 LEU 80 13.618 -7.787 0.552 604 HB3 LEU 80 HB1 LEU 80 12.525 -7.919 -0.807 605 HG LEU 80 HG LEU 80 14.152 -9.693 -0.891 606 HD11 LEU 80 HD11 LEU 80 15.013 -9.395 -3.117 607 HD12 LEU 80 HD12 LEU 80 14.716 -7.664 -3.011 608 HD13 LEU 80 HD13 LEU 80 13.358 -8.799 -2.975 609 HD21 LEU 80 HD21 LEU 80 16.536 -9.286 -1.266 610 HD22 LEU 80 HD22 LEU 80 16.021 -8.675 0.303 611 HD23 LEU 80 HD23 LEU 80 16.276 -7.559 -1.034 612 H VAL 81 HN VAL 81 13.694 -4.266 0.781 613 HA VAL 81 HA VAL 81 10.840 -3.832 0.508 614 HB VAL 81 HB VAL 81 12.790 -2.798 2.606 615 HG11 VAL 81 HG11 VAL 81 10.769 -1.974 3.770 616 HG12 VAL 81 HG12 VAL 81 9.806 -2.443 2.364 617 HG13 VAL 81 HG13 VAL 81 11.023 -1.181 2.214 618 HG21 VAL 81 HG21 VAL 81 10.581 -4.843 2.802 619 HG22 VAL 81 HG22 VAL 81 11.545 -4.253 4.155 620 HG23 VAL 81 HG23 VAL 81 12.312 -5.180 2.861 621 H ARG 82 HN ARG 82 10.471 -2.541 -1.077 622 HA ARG 82 HA ARG 82 12.348 -0.554 -2.012 623 HB2 ARG 82 HB2 ARG 82 9.502 -1.132 -2.837 624 HB3 ARG 82 HB1 ARG 82 10.574 -0.023 -3.652 625 HG2 ARG 82 HG2 ARG 82 11.122 -2.977 -3.412 626 HG3 ARG 82 HG1 ARG 82 10.242 -2.259 -4.753 627 HD2 ARG 82 HD2 ARG 82 12.470 -2.526 -5.501 628 HD3 ARG 82 HD1 ARG 82 12.285 -0.814 -5.154 629 HE ARG 82 HE ARG 82 13.334 -2.135 -2.901 630 HH11 ARG 82 HH11 ARG 82 14.329 -1.116 -6.168 631 HH12 ARG 82 HH12 ARG 82 15.986 -1.017 -5.768 632 HH21 ARG 82 HH21 ARG 82 15.610 -2.050 -2.417 633 HH22 ARG 82 HH22 ARG 82 16.720 -1.545 -3.618 634 H HIS 83 HN HIS 83 12.124 1.609 -1.716 635 HA HIS 83 HA HIS 83 9.925 2.487 -0.016 636 HB2 HIS 83 HB2 HIS 83 12.828 2.984 0.293 637 HB3 HIS 83 HB1 HIS 83 11.732 4.313 0.656 638 HD1 HIS 83 HD1 HIS 83 12.749 0.911 1.909 639 HD2 HIS 83 HD2 HIS 83 10.195 4.032 2.896 640 HE1 HIS 83 HE1 HIS 83 11.979 0.470 4.270 641 H PHE 84 HN PHE 84 8.733 3.884 -0.798 642 HA PHE 84 HA PHE 84 9.717 5.826 -2.750 643 HB2 PHE 84 HB2 PHE 84 7.067 4.340 -2.823 644 HB3 PHE 84 HB1 PHE 84 7.536 5.643 -3.902 645 HD1 PHE 84 HD2 PHE 84 9.342 5.249 -5.568 646 HD2 PHE 84 HD1 PHE 84 7.701 2.099 -3.228 647 HE1 PHE 84 HE2 PHE 84 10.246 3.604 -7.154 648 HE2 PHE 84 HE1 PHE 84 8.599 0.452 -4.808 649 HZ PHE 84 HZ PHE 84 9.868 1.197 -6.775 650 H LEU 85 HN LEU 85 8.020 7.682 -2.760 651 HA LEU 85 HA LEU 85 6.572 7.704 -0.279 652 HB2 LEU 85 HB2 LEU 85 7.123 10.127 0.097 653 HB3 LEU 85 HB1 LEU 85 8.369 8.968 0.476 654 HG LEU 85 HG LEU 85 8.461 10.352 -2.176 655 HD11 LEU 85 HD11 LEU 85 9.362 11.449 0.482 656 HD12 LEU 85 HD12 LEU 85 8.072 12.120 -0.515 657 HD13 LEU 85 HD13 LEU 85 9.743 12.153 -1.089 658 HD21 LEU 85 HD21 LEU 85 10.866 10.072 -1.780 659 HD22 LEU 85 HD22 LEU 85 10.014 8.527 -1.621 660 HD23 LEU 85 HD23 LEU 85 10.505 9.414 -0.181 661 H ILE 86 HN ILE 86 4.760 8.614 -0.269 662 HA ILE 86 HA ILE 86 3.642 9.388 -2.822 663 HB ILE 86 HB ILE 86 2.326 8.928 -0.132 664 HG12 ILE 86 HG12 ILE 86 2.336 7.144 -2.559 665 HG13 ILE 86 HG11 ILE 86 3.437 6.921 -1.202 666 HG21 ILE 86 HG21 ILE 86 0.241 8.908 -1.439 667 HG22 ILE 86 HG22 ILE 86 1.176 9.253 -2.902 668 HG23 ILE 86 HG23 ILE 86 1.113 10.439 -1.600 669 HD11 ILE 86 HD11 ILE 86 1.517 6.552 0.255 670 HD12 ILE 86 HD12 ILE 86 1.557 5.404 -1.082 671 HD13 ILE 86 HD13 ILE 86 0.430 6.763 -1.121 672 H GLU 87 HN GLU 87 3.702 11.406 -3.252 673 HA GLU 87 HA GLU 87 4.057 13.401 -1.130 674 HB2 GLU 87 HB2 GLU 87 4.276 13.672 -4.124 675 HB3 GLU 87 HB1 GLU 87 4.799 14.832 -2.910 676 HG2 GLU 87 HG2 GLU 87 6.502 13.336 -2.196 677 HG3 GLU 87 HG1 GLU 87 5.914 12.105 -3.310 678 H THR 88 HN THR 88 2.493 14.953 -0.813 679 HA THR 88 HA THR 88 0.306 14.934 -2.711 680 HB THR 88 HB THR 88 -0.771 14.158 -0.830 681 HG1 THR 88 HG1 THR 88 -2.127 15.730 -0.135 682 HG21 THR 88 HG21 THR 88 -0.499 15.023 1.462 683 HG22 THR 88 HG22 THR 88 0.795 16.088 0.870 684 HG23 THR 88 HG23 THR 88 0.962 14.328 0.770 685 H GLY 89 HN GLY 89 -0.168 16.618 -3.701 686 HA2 GLY 89 HA2 GLY 89 0.627 19.251 -2.751 687 HA3 GLY 89 HA1 GLY 89 1.245 18.711 -4.317 688 HA PRO 90 HA PRO 90 -2.916 20.864 -4.878 689 HB2 PRO 90 HB2 PRO 90 -2.065 21.854 -7.365 690 HB3 PRO 90 HB1 PRO 90 -2.145 22.750 -5.850 691 HG2 PRO 90 HG2 PRO 90 0.175 21.412 -7.140 692 HG3 PRO 90 HG1 PRO 90 0.124 22.918 -6.208 693 HD2 PRO 90 HD2 PRO 90 1.102 20.674 -5.136 694 HD3 PRO 90 HD1 PRO 90 0.127 21.798 -4.171 695 H LYS 91 HN LYS 91 -1.018 18.745 -6.973 696 HA LYS 91 HA LYS 91 -3.241 18.205 -8.678 697 HB2 LYS 91 HB2 LYS 91 -0.586 16.786 -8.458 698 HB3 LYS 91 HB1 LYS 91 -1.835 16.321 -9.595 699 HG2 LYS 91 HG2 LYS 91 -0.329 17.630 -10.819 700 HG3 LYS 91 HG1 LYS 91 -1.700 18.689 -10.471 701 HD2 LYS 91 HD2 LYS 91 -0.445 19.589 -8.544 702 HD3 LYS 91 HD1 LYS 91 0.931 18.599 -9.051 703 HE2 LYS 91 HE2 LYS 91 0.913 19.745 -11.214 704 HE3 LYS 91 HE1 LYS 91 -0.440 20.720 -10.612 705 HZ1 LYS 91 HZ1 LYS 91 1.764 21.838 -10.424 706 HZ2 LYS 91 HZ2 LYS 91 2.214 20.673 -9.269 707 HZ3 LYS 91 HZ3 LYS 91 0.911 21.700 -8.994 708 H GLY 92 HN GLY 92 -2.099 17.016 -5.689 709 HA2 GLY 92 HA2 GLY 92 -3.730 15.647 -4.473 710 HA3 GLY 92 HA1 GLY 92 -3.752 14.602 -5.893 711 H VAL 93 HN VAL 93 -3.006 12.836 -4.800 712 HA VAL 93 HA VAL 93 -0.289 12.967 -3.703 713 HB VAL 93 HB VAL 93 -0.736 10.843 -2.593 714 HG11 VAL 93 HG11 VAL 93 -2.763 12.947 -2.090 715 HG12 VAL 93 HG12 VAL 93 -1.315 12.460 -1.148 716 HG13 VAL 93 HG13 VAL 93 -2.730 11.443 -1.181 717 HG21 VAL 93 HG21 VAL 93 -2.176 9.773 -4.241 718 HG22 VAL 93 HG22 VAL 93 -3.478 10.898 -3.854 719 HG23 VAL 93 HG23 VAL 93 -2.935 9.735 -2.648 720 H LYS 94 HN LYS 94 1.277 11.501 -4.484 721 HA LYS 94 HA LYS 94 0.635 9.474 -6.371 722 HB2 LYS 94 HB2 LYS 94 1.666 10.285 -8.351 723 HB3 LYS 94 HB1 LYS 94 0.643 11.584 -7.803 724 HG2 LYS 94 HG2 LYS 94 3.654 11.446 -7.563 725 HG3 LYS 94 HG1 LYS 94 2.728 12.426 -8.686 726 HD2 LYS 94 HD2 LYS 94 1.751 13.588 -6.651 727 HD3 LYS 94 HD1 LYS 94 2.969 12.737 -5.695 728 HE2 LYS 94 HE2 LYS 94 3.429 14.752 -7.905 729 HE3 LYS 94 HE1 LYS 94 3.843 14.901 -6.204 730 HZ1 LYS 94 HZ1 LYS 94 5.576 13.236 -6.477 731 HZ2 LYS 94 HZ2 LYS 94 5.734 14.404 -7.658 732 HZ3 LYS 94 HZ3 LYS 94 5.058 12.937 -8.069 733 H ILE 95 HN ILE 95 2.535 8.164 -6.938 734 HA ILE 95 HA ILE 95 4.309 8.120 -4.669 735 HB ILE 95 HB ILE 95 3.887 6.160 -6.947 736 HG12 ILE 95 HG12 ILE 95 3.038 6.047 -4.046 737 HG13 ILE 95 HG11 ILE 95 1.967 6.399 -5.399 738 HG21 ILE 95 HG21 ILE 95 5.207 4.585 -5.624 739 HG22 ILE 95 HG22 ILE 95 5.501 5.840 -4.425 740 HG23 ILE 95 HG23 ILE 95 6.163 6.006 -6.056 741 HD11 ILE 95 HD11 ILE 95 3.428 3.810 -4.891 742 HD12 ILE 95 HD12 ILE 95 2.378 4.137 -6.266 743 HD13 ILE 95 HD13 ILE 95 1.709 4.110 -4.635 744 H LYS 96 HN LYS 96 6.133 9.186 -4.742 745 HA LYS 96 HA LYS 96 7.415 10.161 -7.059 746 HB2 LYS 96 HB2 LYS 96 7.773 11.291 -4.970 747 HB3 LYS 96 HB1 LYS 96 8.346 9.815 -4.211 748 HG2 LYS 96 HG2 LYS 96 10.346 9.862 -5.616 749 HG3 LYS 96 HG1 LYS 96 9.771 11.329 -6.398 750 HD2 LYS 96 HD2 LYS 96 10.024 11.243 -3.441 751 HD3 LYS 96 HD1 LYS 96 11.495 11.501 -4.411 752 HE2 LYS 96 HE2 LYS 96 8.966 13.154 -4.342 753 HE3 LYS 96 HE1 LYS 96 10.509 13.581 -3.606 754 HZ1 LYS 96 HZ1 LYS 96 9.975 13.301 -6.518 755 HZ2 LYS 96 HZ2 LYS 96 11.475 13.643 -5.847 756 HZ3 LYS 96 HZ3 LYS 96 10.203 14.728 -5.678 757 H GLY 97 HN GLY 97 8.735 9.232 -8.402 758 HA2 GLY 97 HA2 GLY 97 10.685 7.853 -8.844 759 HA3 GLY 97 HA1 GLY 97 10.070 6.717 -7.645 760 H CYS 98 HN CYS 98 8.265 8.385 -10.180 761 HA CYS 98 HA CYS 98 7.911 5.853 -11.569 762 HB2 CYS 98 HB2 CYS 98 6.109 6.167 -9.870 763 HB3 CYS 98 HB1 CYS 98 5.645 7.636 -10.706 764 HG CYS 98 HG CYS 98 3.877 5.582 -11.241 765 HA PRO 99 HA PRO 99 8.214 8.905 -14.869 766 HB2 PRO 99 HB2 PRO 99 8.401 7.229 -16.932 767 HB3 PRO 99 HB1 PRO 99 9.707 7.359 -15.750 768 HG2 PRO 99 HG2 PRO 99 7.596 5.259 -16.020 769 HG3 PRO 99 HG1 PRO 99 9.309 5.071 -15.616 770 HD2 PRO 99 HD2 PRO 99 7.223 5.101 -13.775 771 HD3 PRO 99 HD1 PRO 99 8.929 5.422 -13.396 772 H SER 100 HN SER 100 5.505 7.285 -14.001 773 HA SER 100 HA SER 100 3.859 8.461 -16.048 774 HB2 SER 100 HB2 SER 100 3.718 5.527 -15.244 775 HB3 SER 100 HB1 SER 100 2.711 6.335 -16.445 776 HG SER 100 HG SER 100 5.027 6.847 -17.282 777 H GLU 101 HN GLU 101 1.628 6.872 -14.890 778 HA GLU 101 HA GLU 101 0.298 6.517 -13.121 779 HB2 GLU 101 HB2 GLU 101 2.240 5.951 -11.781 780 HB3 GLU 101 HB1 GLU 101 2.524 7.643 -11.428 781 HG2 GLU 101 HG2 GLU 101 0.434 7.708 -10.169 782 HG3 GLU 101 HG1 GLU 101 0.170 5.997 -10.529 783 HA PRO 102 HA PRO 102 -1.700 10.464 -13.173 784 HB2 PRO 102 HB2 PRO 102 -4.113 9.622 -12.334 785 HB3 PRO 102 HB1 PRO 102 -3.523 9.262 -13.962 786 HG2 PRO 102 HG2 PRO 102 -3.526 7.520 -11.525 787 HG3 PRO 102 HG1 PRO 102 -3.983 7.108 -13.187 788 HD2 PRO 102 HD2 PRO 102 -1.565 6.503 -12.129 789 HD3 PRO 102 HD1 PRO 102 -1.802 6.848 -13.856 790 H TYR 103 HN TYR 103 -3.036 11.706 -11.577 791 HA TYR 103 HA TYR 103 -1.802 11.418 -8.958 792 HB2 TYR 103 HB2 TYR 103 -3.272 13.731 -10.239 793 HB3 TYR 103 HB1 TYR 103 -2.571 13.759 -8.623 794 HD1 TYR 103 HD1 TYR 103 -0.156 13.748 -8.326 795 HD2 TYR 103 HD2 TYR 103 -1.865 13.886 -12.218 796 HE1 TYR 103 HE1 TYR 103 2.013 14.416 -9.256 797 HE2 TYR 103 HE2 TYR 103 0.313 14.549 -13.158 798 HH TYR 103 HH TYR 103 3.166 14.243 -11.423 799 H PHE 104 HN PHE 104 -2.955 10.958 -7.192 800 HA PHE 104 HA PHE 104 -5.826 10.461 -7.602 801 HB2 PHE 104 HB2 PHE 104 -3.932 9.208 -5.595 802 HB3 PHE 104 HB1 PHE 104 -5.643 8.836 -5.754 803 HD1 PHE 104 HD2 PHE 104 -6.456 7.572 -7.710 804 HD2 PHE 104 HD1 PHE 104 -2.306 8.299 -7.098 805 HE1 PHE 104 HE2 PHE 104 -5.908 5.804 -9.329 806 HE2 PHE 104 HE1 PHE 104 -1.754 6.534 -8.719 807 HZ PHE 104 HZ PHE 104 -3.557 5.282 -9.836 808 H GLY 105 HN GLY 105 -7.252 11.002 -5.855 809 HA2 GLY 105 HA2 GLY 105 -6.291 13.284 -4.325 810 HA3 GLY 105 HA1 GLY 105 -7.972 12.833 -4.579 811 H SER 106 HN SER 106 -7.295 10.002 -3.893 812 HA SER 106 HA SER 106 -7.031 10.325 -0.974 813 HB2 SER 106 HB2 SER 106 -8.625 8.208 -2.432 814 HB3 SER 106 HB1 SER 106 -8.643 8.567 -0.710 815 HG SER 106 HG SER 106 -9.597 10.587 -1.206 816 H LEU 107 HN LEU 107 -5.658 8.825 0.056 817 HA LEU 107 HA LEU 107 -3.734 7.395 -1.434 818 HB2 LEU 107 HB2 LEU 107 -4.625 6.999 1.428 819 HB3 LEU 107 HB1 LEU 107 -3.251 6.185 0.719 820 HG LEU 107 HG LEU 107 -3.508 9.163 1.144 821 HD11 LEU 107 HD11 LEU 107 -1.841 7.098 2.559 822 HD12 LEU 107 HD12 LEU 107 -3.234 7.948 3.231 823 HD13 LEU 107 HD13 LEU 107 -1.766 8.837 2.827 824 HD21 LEU 107 HD21 LEU 107 -1.205 7.513 0.127 825 HD22 LEU 107 HD22 LEU 107 -1.145 9.229 0.515 826 HD23 LEU 107 HD23 LEU 107 -2.157 8.662 -0.813 827 H SER 108 HN SER 108 -6.802 6.443 -0.005 828 HA SER 108 HA SER 108 -6.822 3.740 -0.225 829 HB2 SER 108 HB2 SER 108 -9.159 5.477 -0.920 830 HB3 SER 108 HB1 SER 108 -9.110 4.020 0.082 831 HG SER 108 HG SER 108 -8.597 5.204 1.768 832 H ALA 109 HN ALA 109 -7.254 6.184 -2.739 833 HA ALA 109 HA ALA 109 -8.406 4.519 -4.703 834 HB1 ALA 109 HB1 ALA 109 -8.656 6.945 -4.714 835 HB2 ALA 109 HB2 ALA 109 -7.981 6.356 -6.235 836 HB3 ALA 109 HB3 ALA 109 -6.933 7.117 -5.039 837 H LEU 110 HN LEU 110 -5.071 5.470 -3.995 838 HA LEU 110 HA LEU 110 -4.142 4.073 -6.310 839 HB2 LEU 110 HB2 LEU 110 -1.825 4.544 -5.478 840 HB3 LEU 110 HB1 LEU 110 -2.805 5.963 -5.707 841 HG LEU 110 HG LEU 110 -3.151 5.907 -3.152 842 HD11 LEU 110 HD11 LEU 110 -1.370 4.886 -1.846 843 HD12 LEU 110 HD12 LEU 110 -0.729 4.116 -3.299 844 HD13 LEU 110 HD13 LEU 110 -2.330 3.679 -2.690 845 HD21 LEU 110 HD21 LEU 110 -1.832 7.577 -4.298 846 HD22 LEU 110 HD22 LEU 110 -0.437 6.494 -4.306 847 HD23 LEU 110 HD23 LEU 110 -1.072 7.108 -2.777 848 H VAL 111 HN VAL 111 -4.444 3.417 -2.947 849 HA VAL 111 HA VAL 111 -3.079 1.025 -2.706 850 HB VAL 111 HB VAL 111 -5.581 2.042 -1.340 851 HG11 VAL 111 HG11 VAL 111 -5.260 0.281 0.355 852 HG12 VAL 111 HG12 VAL 111 -4.021 -0.455 -0.677 853 HG13 VAL 111 HG13 VAL 111 -5.694 -0.348 -1.235 854 HG21 VAL 111 HG21 VAL 111 -2.724 1.769 -0.441 855 HG22 VAL 111 HG22 VAL 111 -4.061 2.372 0.539 856 HG23 VAL 111 HG23 VAL 111 -3.550 3.260 -0.899 857 H SER 112 HN SER 112 -6.456 1.546 -3.525 858 HA SER 112 HA SER 112 -7.033 -1.157 -3.987 859 HB2 SER 112 HB2 SER 112 -8.442 1.356 -4.801 860 HB3 SER 112 HB1 SER 112 -9.170 -0.272 -4.777 861 HG SER 112 HG SER 112 -8.826 1.524 -2.794 862 H GLN 113 HN GLN 113 -5.707 1.367 -6.014 863 HA GLN 113 HA GLN 113 -6.500 0.055 -8.459 864 HB2 GLN 113 HB2 GLN 113 -6.402 2.522 -8.338 865 HB3 GLN 113 HB1 GLN 113 -4.661 2.421 -8.103 866 HG2 GLN 113 HG2 GLN 113 -5.167 2.970 -10.408 867 HG3 GLN 113 HG1 GLN 113 -4.431 1.372 -10.310 868 HE21 GLN 113 HE21 GLN 113 -5.321 0.656 -12.272 869 HE22 GLN 113 HE22 GLN 113 -7.001 0.377 -12.454 870 H HIS 114 HN HIS 114 -3.539 0.372 -6.548 871 HA HIS 114 HA HIS 114 -1.943 -0.671 -8.649 872 HB2 HIS 114 HB2 HIS 114 -1.234 -0.220 -5.763 873 HB3 HIS 114 HB1 HIS 114 -0.090 -0.804 -6.969 874 HD1 HIS 114 HD1 HIS 114 -0.658 1.075 -9.309 875 HD2 HIS 114 HD2 HIS 114 -0.547 2.328 -5.354 876 HE1 HIS 114 HE1 HIS 114 -0.147 3.564 -9.356 877 H SER 115 HN SER 115 -4.005 -2.329 -6.631 878 HA SER 115 HA SER 115 -2.569 -4.807 -6.584 879 HB2 SER 115 HB2 SER 115 -5.567 -4.399 -6.621 880 HB3 SER 115 HB1 SER 115 -4.683 -5.778 -5.967 881 HG SER 115 HG SER 115 -3.741 -4.270 -4.456 882 H ILE 116 HN ILE 116 -4.334 -2.959 -8.837 883 HA ILE 116 HA ILE 116 -4.748 -5.150 -10.733 884 HB ILE 116 HB ILE 116 -5.806 -2.304 -10.717 885 HG12 ILE 116 HG12 ILE 116 -7.226 -4.888 -10.022 886 HG13 ILE 116 HG11 ILE 116 -6.673 -3.692 -8.860 887 HG21 ILE 116 HG21 ILE 116 -6.565 -4.644 -12.466 888 HG22 ILE 116 HG22 ILE 116 -5.667 -3.208 -12.971 889 HG23 ILE 116 HG23 ILE 116 -7.350 -3.064 -12.461 890 HD11 ILE 116 HD11 ILE 116 -9.060 -3.507 -9.265 891 HD12 ILE 116 HD12 ILE 116 -8.756 -3.251 -10.986 892 HD13 ILE 116 HD13 ILE 116 -8.214 -2.056 -9.807 893 H SER 117 HN SER 117 -3.523 -1.810 -10.516 894 HA SER 117 HA SER 117 -1.823 -2.346 -12.856 895 HB2 SER 117 HB2 SER 117 -2.943 0.321 -11.986 896 HB3 SER 117 HB1 SER 117 -2.033 -0.025 -13.457 897 HG SER 117 HG SER 117 -3.895 -1.656 -13.711 898 HA PRO 118 HA PRO 118 1.206 -1.214 -9.607 899 HB2 PRO 118 HB2 PRO 118 3.087 -2.973 -10.880 900 HB3 PRO 118 HB1 PRO 118 2.294 -3.206 -9.325 901 HG2 PRO 118 HG2 PRO 118 1.841 -4.754 -11.573 902 HG3 PRO 118 HG1 PRO 118 0.731 -4.613 -10.205 903 HD2 PRO 118 HD2 PRO 118 0.642 -3.270 -12.870 904 HD3 PRO 118 HD1 PRO 118 -0.689 -3.866 -11.851 905 H ILE 119 HN ILE 119 1.419 0.825 -10.527 906 HA ILE 119 HA ILE 119 2.683 1.117 -13.107 907 HB ILE 119 HB ILE 119 1.859 3.364 -11.245 908 HG12 ILE 119 HG12 ILE 119 0.203 2.017 -13.399 909 HG13 ILE 119 HG11 ILE 119 -0.033 1.779 -11.673 910 HG21 ILE 119 HG21 ILE 119 2.234 3.176 -14.245 911 HG22 ILE 119 HG22 ILE 119 3.316 3.994 -13.114 912 HG23 ILE 119 HG23 ILE 119 1.686 4.610 -13.379 913 HD11 ILE 119 HD11 ILE 119 -1.656 3.327 -12.589 914 HD12 ILE 119 HD12 ILE 119 -0.353 4.373 -13.164 915 HD13 ILE 119 HD13 ILE 119 -0.601 4.143 -11.436 916 H SER 120 HN SER 120 3.307 2.761 -9.977 917 HA SER 120 HA SER 120 6.019 3.242 -10.600 918 HB2 SER 120 HB2 SER 120 5.864 3.966 -8.132 919 HB3 SER 120 HB1 SER 120 4.855 4.812 -9.317 920 HG SER 120 HG SER 120 3.208 4.199 -8.299 921 H LEU 121 HN LEU 121 4.179 0.971 -8.825 922 HA LEU 121 HA LEU 121 6.400 -0.227 -7.446 923 HB2 LEU 121 HB2 LEU 121 3.545 -1.146 -7.650 924 HB3 LEU 121 HB1 LEU 121 4.720 -1.628 -6.442 925 HG LEU 121 HG LEU 121 3.503 1.114 -6.754 926 HD11 LEU 121 HD11 LEU 121 1.954 -0.472 -5.838 927 HD12 LEU 121 HD12 LEU 121 2.488 0.652 -4.586 928 HD13 LEU 121 HD13 LEU 121 3.151 -0.984 -4.651 929 HD21 LEU 121 HD21 LEU 121 5.797 1.321 -5.977 930 HD22 LEU 121 HD22 LEU 121 5.507 0.136 -4.706 931 HD23 LEU 121 HD23 LEU 121 4.673 1.685 -4.672 932 HA PRO 122 HA PRO 122 7.158 -3.223 -10.686 933 HB2 PRO 122 HB2 PRO 122 8.793 -4.898 -9.361 934 HB3 PRO 122 HB1 PRO 122 9.296 -3.263 -9.824 935 HG2 PRO 122 HG2 PRO 122 8.325 -4.272 -7.181 936 HG3 PRO 122 HG1 PRO 122 9.687 -3.189 -7.523 937 HD2 PRO 122 HD2 PRO 122 7.240 -2.311 -6.686 938 HD3 PRO 122 HD1 PRO 122 8.325 -1.347 -7.706 939 H CYS 123 HN CYS 123 5.464 -3.992 -7.818 940 HA CYS 123 HA CYS 123 4.479 -6.435 -9.068 941 HB2 CYS 123 HB2 CYS 123 4.444 -7.521 -6.818 942 HB3 CYS 123 HB1 CYS 123 6.071 -7.203 -7.411 943 HG CYS 123 HG CYS 123 4.369 -5.568 -4.967 944 H CYS 124 HN CYS 124 2.360 -7.078 -8.121 945 HA CYS 124 HA CYS 124 0.647 -4.832 -8.011 946 HB2 CYS 124 HB2 CYS 124 0.059 -7.727 -7.393 947 HB3 CYS 124 HB1 CYS 124 -1.128 -6.479 -7.753 948 HG CYS 124 HG CYS 124 0.541 -8.422 -9.788 949 H LEU 125 HN LEU 125 -0.385 -3.962 -6.342 950 HA LEU 125 HA LEU 125 0.915 -4.153 -3.804 951 HB2 LEU 125 HB2 LEU 125 0.076 -2.070 -4.957 952 HB3 LEU 125 HB1 LEU 125 -1.539 -2.576 -4.514 953 HG LEU 125 HG LEU 125 -0.835 -2.485 -2.119 954 HD11 LEU 125 HD11 LEU 125 1.205 -1.264 -1.593 955 HD12 LEU 125 HD12 LEU 125 1.613 -1.201 -3.305 956 HD13 LEU 125 HD13 LEU 125 1.568 -2.753 -2.465 957 HD21 LEU 125 HD21 LEU 125 -0.514 0.067 -3.695 958 HD22 LEU 125 HD22 LEU 125 -0.932 -0.065 -1.982 959 HD23 LEU 125 HD23 LEU 125 -2.045 -0.662 -3.214 960 H ARG 126 HN ARG 126 0.359 -5.478 -2.238 961 HA ARG 126 HA ARG 126 -2.263 -6.774 -2.198 962 HB2 ARG 126 HB2 ARG 126 -0.533 -8.396 -2.010 963 HB3 ARG 126 HB1 ARG 126 0.393 -7.399 -0.901 964 HG2 ARG 126 HG2 ARG 126 -0.533 -9.247 0.293 965 HG3 ARG 126 HG1 ARG 126 -1.345 -7.781 0.821 966 HD2 ARG 126 HD2 ARG 126 -3.121 -8.448 -0.966 967 HD3 ARG 126 HD1 ARG 126 -2.397 -10.054 -0.823 968 HE ARG 126 HE ARG 126 -3.717 -8.528 1.298 969 HH11 ARG 126 HH11 ARG 126 -2.499 -11.652 0.155 970 HH12 ARG 126 HH12 ARG 126 -3.275 -12.550 1.377 971 HH21 ARG 126 HH21 ARG 126 -4.686 -9.784 3.076 972 HH22 ARG 126 HH22 ARG 126 -4.478 -11.463 3.064 973 H ILE 127 HN ILE 127 -3.735 -5.834 -1.134 974 HA ILE 127 HA ILE 127 -3.270 -4.080 1.100 975 HB ILE 127 HB ILE 127 -5.817 -5.300 0.027 976 HG12 ILE 127 HG12 ILE 127 -4.735 -2.534 -0.508 977 HG13 ILE 127 HG11 ILE 127 -4.462 -3.893 -1.593 978 HG21 ILE 127 HG21 ILE 127 -5.949 -4.493 2.332 979 HG22 ILE 127 HG22 ILE 127 -6.955 -3.509 1.261 980 HG23 ILE 127 HG23 ILE 127 -5.391 -2.901 1.826 981 HD11 ILE 127 HD11 ILE 127 -6.282 -2.489 -2.341 982 HD12 ILE 127 HD12 ILE 127 -7.145 -2.776 -0.819 983 HD13 ILE 127 HD13 ILE 127 -6.825 -4.115 -1.935 984 HA PRO 128 HA PRO 128 -2.825 -7.562 3.840 985 HB2 PRO 128 HB2 PRO 128 -3.774 -5.621 5.884 986 HB3 PRO 128 HB1 PRO 128 -2.350 -6.663 5.905 987 HG2 PRO 128 HG2 PRO 128 -2.132 -4.048 5.406 988 HG3 PRO 128 HG1 PRO 128 -1.107 -5.235 4.575 989 HD2 PRO 128 HD2 PRO 128 -3.444 -3.694 3.557 990 HD3 PRO 128 HD1 PRO 128 -1.987 -4.252 2.706 991 H SER 129 HN SER 129 -5.659 -5.518 4.115 992 HA SER 129 HA SER 129 -7.175 -7.549 5.509 993 HB2 SER 129 HB2 SER 129 -7.293 -5.163 6.094 994 HB3 SER 129 HB1 SER 129 -8.003 -4.828 4.525 995 HG SER 129 HG SER 129 -9.496 -6.694 5.471 996 H LYS 130 HN LYS 130 -6.530 -7.062 2.240 997 HA LYS 130 HA LYS 130 -9.240 -7.953 1.571 998 HB2 LYS 130 HB2 LYS 130 -8.587 -5.723 0.643 999 HB3 LYS 130 HB1 LYS 130 -7.339 -6.554 -0.277 1000 HG2 LYS 130 HG2 LYS 130 -9.243 -6.080 -1.699 1001 HG3 LYS 130 HG1 LYS 130 -9.052 -7.819 -1.472 1002 HD2 LYS 130 HD2 LYS 130 -10.840 -7.864 0.135 1003 HD3 LYS 130 HD1 LYS 130 -10.972 -6.105 0.106 1004 HE2 LYS 130 HE2 LYS 130 -12.746 -7.108 -1.234 1005 HE3 LYS 130 HE1 LYS 130 -11.639 -6.199 -2.256 1006 HZ1 LYS 130 HZ1 LYS 130 -10.579 -8.327 -2.874 1007 HZ2 LYS 130 HZ2 LYS 130 -12.212 -8.298 -3.264 1008 HZ3 LYS 130 HZ3 LYS 130 -11.704 -9.155 -1.932 1009 H ASP 131 HN ASP 131 -8.566 -10.004 2.109 1010 HA ASP 131 HA ASP 131 -8.556 -11.826 0.157 1011 HB2 ASP 131 HB2 ASP 131 -6.274 -11.132 -0.489 1012 HB3 ASP 131 HB1 ASP 131 -5.742 -11.496 1.151 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -6.648 13.786 14.692 2 H2 MET 1 HT2 MET 1 -7.140 13.839 16.289 3 H3 MET 1 HT3 MET 1 -8.242 14.163 15.059 4 HA MET 1 HA MET 1 -8.115 11.963 14.221 5 HB2 MET 1 HB2 MET 1 -5.772 11.509 15.089 6 HB3 MET 1 HB1 MET 1 -6.437 11.385 16.700 7 HG2 MET 1 HG2 MET 1 -7.181 9.543 14.423 8 HG3 MET 1 HG1 MET 1 -5.915 9.206 15.588 9 HE1 MET 1 HE1 MET 1 -7.066 6.846 16.128 10 HE2 MET 1 HE2 MET 1 -8.340 7.192 14.955 11 HE3 MET 1 HE3 MET 1 -8.759 6.669 16.587 12 H HIS 2 HN HIS 2 -8.057 12.520 17.781 13 HA HIS 2 HA HIS 2 -10.915 12.123 17.702 14 HB2 HIS 2 HB2 HIS 2 -10.911 10.579 19.628 15 HB3 HIS 2 HB1 HIS 2 -10.066 9.891 18.253 16 HD1 HIS 2 HD1 HIS 2 -9.772 9.883 21.737 17 HD2 HIS 2 HD2 HIS 2 -7.061 10.612 18.678 18 HE1 HIS 2 HE1 HIS 2 -7.485 9.526 22.723 19 H HIS 3 HN HIS 3 -11.518 14.065 18.253 20 HA HIS 3 HA HIS 3 -10.350 15.191 20.692 21 HB2 HIS 3 HB2 HIS 3 -10.263 16.649 18.658 22 HB3 HIS 3 HB1 HIS 3 -12.017 16.586 18.573 23 HD1 HIS 3 HD1 HIS 3 -13.233 18.397 19.804 24 HD2 HIS 3 HD2 HIS 3 -9.322 17.948 21.106 25 HE1 HIS 3 HE1 HIS 3 -12.833 20.244 21.455 26 H HIS 4 HN HIS 4 -13.499 15.227 19.044 27 HA HIS 4 HA HIS 4 -14.788 13.995 21.264 28 HB2 HIS 4 HB2 HIS 4 -14.632 16.336 22.090 29 HB3 HIS 4 HB1 HIS 4 -15.414 16.896 20.619 30 HD1 HIS 4 HD1 HIS 4 -17.941 17.008 20.681 31 HD2 HIS 4 HD2 HIS 4 -16.355 14.699 23.745 32 HE1 HIS 4 HE1 HIS 4 -19.881 16.407 22.183 33 H HIS 5 HN HIS 5 -16.479 12.901 20.498 34 HA HIS 5 HA HIS 5 -18.076 13.938 18.426 35 HB2 HIS 5 HB2 HIS 5 -17.830 12.059 16.803 36 HB3 HIS 5 HB1 HIS 5 -16.348 12.973 16.969 37 HD1 HIS 5 HD1 HIS 5 -17.424 9.648 16.583 38 HD2 HIS 5 HD2 HIS 5 -14.554 11.465 18.970 39 HE1 HIS 5 HE1 HIS 5 -15.822 7.817 17.259 40 H HIS 6 HN HIS 6 -19.822 13.794 19.563 41 HA HIS 6 HA HIS 6 -20.327 11.489 21.219 42 HB2 HIS 6 HB2 HIS 6 -20.939 13.810 21.954 43 HB3 HIS 6 HB1 HIS 6 -22.158 13.845 20.687 44 HD1 HIS 6 HD1 HIS 6 -24.458 13.185 21.502 45 HD2 HIS 6 HD2 HIS 6 -21.421 11.514 23.789 46 HE1 HIS 6 HE1 HIS 6 -25.592 11.957 23.374 47 H HIS 7 HN HIS 7 -20.906 9.756 20.267 48 HA HIS 7 HA HIS 7 -23.168 9.681 18.475 49 HB2 HIS 7 HB2 HIS 7 -21.119 9.931 17.025 50 HB3 HIS 7 HB1 HIS 7 -20.463 8.482 17.763 51 HD1 HIS 7 HD1 HIS 7 -21.045 6.312 16.614 52 HD2 HIS 7 HD2 HIS 7 -23.490 9.455 15.455 53 HE1 HIS 7 HE1 HIS 7 -22.387 5.461 14.666 54 H SER 8 HN SER 8 -24.232 8.629 20.075 55 HA SER 8 HA SER 8 -23.132 6.692 21.779 56 HB2 SER 8 HB2 SER 8 -26.015 7.247 21.084 57 HB3 SER 8 HB1 SER 8 -25.426 6.416 22.525 58 HG SER 8 HG SER 8 -24.137 8.487 22.754 59 H SER 9 HN SER 9 -23.655 4.462 21.900 60 HA SER 9 HA SER 9 -23.831 2.361 21.212 61 HB2 SER 9 HB2 SER 9 -25.402 3.440 18.851 62 HB3 SER 9 HB1 SER 9 -25.335 1.753 19.358 63 HG SER 9 HG SER 9 -26.020 2.828 21.496 64 H GLY 10 HN GLY 10 -23.332 4.238 18.228 65 HA2 GLY 10 HA2 GLY 10 -21.448 2.290 17.253 66 HA3 GLY 10 HA1 GLY 10 -21.946 3.775 16.454 67 H LEU 11 HN LEU 11 -19.899 2.459 18.932 68 HA LEU 11 HA LEU 11 -18.404 4.862 19.363 69 HB2 LEU 11 HB2 LEU 11 -18.519 3.119 21.059 70 HB3 LEU 11 HB1 LEU 11 -17.797 1.967 19.955 71 HG LEU 11 HG LEU 11 -15.704 3.290 19.993 72 HD11 LEU 11 HD11 LEU 11 -15.389 4.975 21.742 73 HD12 LEU 11 HD12 LEU 11 -17.114 4.892 22.114 74 HD13 LEU 11 HD13 LEU 11 -16.577 5.465 20.537 75 HD21 LEU 11 HD21 LEU 11 -16.012 1.356 21.448 76 HD22 LEU 11 HD22 LEU 11 -16.692 2.404 22.698 77 HD23 LEU 11 HD23 LEU 11 -15.011 2.585 22.214 78 H VAL 12 HN VAL 12 -18.196 2.058 17.338 79 HA VAL 12 HA VAL 12 -15.650 2.890 16.293 80 HB VAL 12 HB VAL 12 -15.709 0.801 14.954 81 HG11 VAL 12 HG11 VAL 12 -15.542 -0.756 16.846 82 HG12 VAL 12 HG12 VAL 12 -16.272 0.465 17.891 83 HG13 VAL 12 HG13 VAL 12 -14.704 0.764 17.141 84 HG21 VAL 12 HG21 VAL 12 -17.451 -0.888 15.370 85 HG22 VAL 12 HG22 VAL 12 -18.134 0.567 14.645 86 HG23 VAL 12 HG23 VAL 12 -18.329 0.267 16.371 87 HA PRO 13 HA PRO 13 -17.761 4.902 12.878 88 HB2 PRO 13 HB2 PRO 13 -15.132 5.408 11.726 89 HB3 PRO 13 HB1 PRO 13 -16.275 6.576 12.398 90 HG2 PRO 13 HG2 PRO 13 -13.904 5.968 13.587 91 HG3 PRO 13 HG1 PRO 13 -15.337 6.493 14.486 92 HD2 PRO 13 HD2 PRO 13 -14.243 3.728 14.112 93 HD3 PRO 13 HD1 PRO 13 -14.942 4.501 15.556 94 H ARG 14 HN ARG 14 -18.390 2.756 12.347 95 HA ARG 14 HA ARG 14 -16.724 1.223 10.609 96 HB2 ARG 14 HB2 ARG 14 -18.693 -0.328 10.466 97 HB3 ARG 14 HB1 ARG 14 -18.035 -0.090 12.075 98 HG2 ARG 14 HG2 ARG 14 -19.855 1.426 12.612 99 HG3 ARG 14 HG1 ARG 14 -20.490 1.265 10.976 100 HD2 ARG 14 HD2 ARG 14 -20.873 -1.109 11.355 101 HD3 ARG 14 HD1 ARG 14 -20.205 -0.965 12.981 102 HE ARG 14 HE ARG 14 -22.118 0.827 13.101 103 HH11 ARG 14 HH11 ARG 14 -22.267 -2.420 11.749 104 HH12 ARG 14 HH12 ARG 14 -23.898 -2.689 12.116 105 HH21 ARG 14 HH21 ARG 14 -24.366 0.512 13.620 106 HH22 ARG 14 HH22 ARG 14 -25.140 -0.951 13.203 107 H GLY 15 HN GLY 15 -16.340 2.372 8.882 108 HA2 GLY 15 HA2 GLY 15 -18.579 2.603 6.989 109 HA3 GLY 15 HA1 GLY 15 -17.422 3.923 7.186 110 H SER 16 HN SER 16 -16.433 0.682 7.511 111 HA SER 16 HA SER 16 -14.822 -0.506 6.555 112 HB2 SER 16 HB2 SER 16 -16.167 0.540 4.085 113 HB3 SER 16 HB1 SER 16 -15.008 -0.803 4.083 114 HG SER 16 HG SER 16 -17.237 -0.855 5.789 115 H ASP 17 HN ASP 17 -13.648 1.490 7.555 116 HA ASP 17 HA ASP 17 -12.188 3.104 5.688 117 HB2 ASP 17 HB2 ASP 17 -12.555 3.891 7.946 118 HB3 ASP 17 HB1 ASP 17 -11.637 2.542 8.614 119 H THR 18 HN THR 18 -10.634 2.413 4.465 120 HA THR 18 HA THR 18 -9.551 -0.179 5.039 121 HB THR 18 HB THR 18 -8.735 0.038 2.634 122 HG1 THR 18 HG1 THR 18 -8.889 2.217 2.195 123 HG21 THR 18 HG21 THR 18 -11.022 -0.387 1.754 124 HG22 THR 18 HG22 THR 18 -11.673 0.228 3.284 125 HG23 THR 18 HG23 THR 18 -10.715 -1.246 3.270 126 H SER 19 HN SER 19 -8.698 2.930 5.343 127 HA SER 19 HA SER 19 -5.896 2.714 4.775 128 HB2 SER 19 HB2 SER 19 -7.346 4.883 6.309 129 HB3 SER 19 HB1 SER 19 -5.685 4.976 5.713 130 HG SER 19 HG SER 19 -8.079 4.775 4.244 131 H LYS 20 HN LYS 20 -7.855 2.376 7.674 132 HA LYS 20 HA LYS 20 -5.855 2.519 9.623 133 HB2 LYS 20 HB2 LYS 20 -7.360 1.424 11.082 134 HB3 LYS 20 HB1 LYS 20 -8.212 2.603 10.099 135 HG2 LYS 20 HG2 LYS 20 -9.060 0.838 8.689 136 HG3 LYS 20 HG1 LYS 20 -8.175 -0.357 9.649 137 HD2 LYS 20 HD2 LYS 20 -9.294 0.502 11.613 138 HD3 LYS 20 HD1 LYS 20 -10.291 1.507 10.563 139 HE2 LYS 20 HE2 LYS 20 -11.113 -0.494 9.392 140 HE3 LYS 20 HE1 LYS 20 -10.102 -1.503 10.424 141 HZ1 LYS 20 HZ1 LYS 20 -12.384 0.173 11.341 142 HZ2 LYS 20 HZ2 LYS 20 -11.391 -0.761 12.330 143 HZ3 LYS 20 HZ3 LYS 20 -12.384 -1.507 11.194 144 H PHE 21 HN PHE 21 -6.386 0.076 7.327 145 HA PHE 21 HA PHE 21 -5.373 -2.054 8.915 146 HB2 PHE 21 HB2 PHE 21 -6.022 -1.854 5.987 147 HB3 PHE 21 HB1 PHE 21 -5.329 -3.304 6.701 148 HD1 PHE 21 HD1 PHE 21 -8.288 -1.102 6.648 149 HD2 PHE 21 HD2 PHE 21 -6.645 -4.788 7.999 150 HE1 PHE 21 HE1 PHE 21 -10.541 -1.879 7.269 151 HE2 PHE 21 HE2 PHE 21 -8.888 -5.566 8.623 152 HZ PHE 21 HZ PHE 21 -10.841 -4.115 8.258 153 H TRP 22 HN TRP 22 -3.963 0.314 6.783 154 HA TRP 22 HA TRP 22 -1.373 -1.054 7.053 155 HB2 TRP 22 HB2 TRP 22 -0.842 -0.221 4.688 156 HB3 TRP 22 HB1 TRP 22 -1.892 -1.621 4.860 157 HD1 TRP 22 HD1 TRP 22 -4.176 -1.506 3.721 158 HE1 TRP 22 HE1 TRP 22 -5.501 0.281 2.435 159 HE3 TRP 22 HE3 TRP 22 -1.249 2.611 4.679 160 HZ2 TRP 22 HZ2 TRP 22 -5.359 3.015 1.906 161 HZ3 TRP 22 HZ3 TRP 22 -1.952 4.747 3.740 162 HH2 TRP 22 HH2 TRP 22 -3.943 4.949 2.403 163 H TYR 23 HN TYR 23 -3.025 1.816 7.490 164 HA TYR 23 HA TYR 23 -0.608 3.382 7.112 165 HB2 TYR 23 HB2 TYR 23 -2.722 4.205 6.098 166 HB3 TYR 23 HB1 TYR 23 -3.413 4.340 7.707 167 HD1 TYR 23 HD2 TYR 23 -0.640 5.542 5.589 168 HD2 TYR 23 HD1 TYR 23 -3.105 6.306 8.949 169 HE1 TYR 23 HE2 TYR 23 0.324 7.764 5.765 170 HE2 TYR 23 HE1 TYR 23 -2.158 8.554 9.150 171 HH TYR 23 HH TYR 23 -0.125 9.732 8.529 172 H LYS 24 HN LYS 24 0.654 3.485 8.721 173 HA LYS 24 HA LYS 24 -0.404 4.318 11.230 174 HB2 LYS 24 HB2 LYS 24 1.206 2.819 12.532 175 HB3 LYS 24 HB1 LYS 24 -0.240 2.057 11.904 176 HG2 LYS 24 HG2 LYS 24 2.483 1.848 10.611 177 HG3 LYS 24 HG1 LYS 24 1.903 0.715 11.826 178 HD2 LYS 24 HD2 LYS 24 -0.088 0.330 10.274 179 HD3 LYS 24 HD1 LYS 24 0.833 1.199 9.050 180 HE2 LYS 24 HE2 LYS 24 1.262 -1.135 8.688 181 HE3 LYS 24 HE1 LYS 24 2.696 -0.462 9.445 182 HZ1 LYS 24 HZ1 LYS 24 1.996 -1.406 11.567 183 HZ2 LYS 24 HZ2 LYS 24 2.014 -2.616 10.370 184 HZ3 LYS 24 HZ3 LYS 24 0.575 -1.968 10.854 185 HA PRO 25 HA PRO 25 2.873 7.034 9.867 186 HB2 PRO 25 HB2 PRO 25 2.055 9.186 11.284 187 HB3 PRO 25 HB1 PRO 25 1.334 8.719 9.740 188 HG2 PRO 25 HG2 PRO 25 0.366 8.187 12.522 189 HG3 PRO 25 HG1 PRO 25 -0.553 8.723 11.105 190 HD2 PRO 25 HD2 PRO 25 -0.574 6.172 11.913 191 HD3 PRO 25 HD1 PRO 25 -0.639 6.603 10.195 192 H HIS 26 HN HIS 26 2.073 6.004 13.049 193 HA HIS 26 HA HIS 26 4.093 7.442 14.453 194 HB2 HIS 26 HB2 HIS 26 2.082 6.602 15.593 195 HB3 HIS 26 HB1 HIS 26 2.540 4.949 15.212 196 HD1 HIS 26 HD1 HIS 26 3.499 7.817 17.487 197 HD2 HIS 26 HD2 HIS 26 4.306 3.780 16.956 198 HE1 HIS 26 HE1 HIS 26 4.858 7.107 19.481 199 H LEU 27 HN LEU 27 4.178 4.712 12.443 200 HA LEU 27 HA LEU 27 6.373 3.433 13.762 201 HB2 LEU 27 HB2 LEU 27 4.488 2.366 12.347 202 HB3 LEU 27 HB1 LEU 27 5.452 2.874 10.973 203 HG LEU 27 HG LEU 27 7.315 1.482 11.745 204 HD11 LEU 27 HD11 LEU 27 5.396 0.689 13.940 205 HD12 LEU 27 HD12 LEU 27 6.939 1.529 14.156 206 HD13 LEU 27 HD13 LEU 27 6.906 -0.133 13.576 207 HD21 LEU 27 HD21 LEU 27 4.665 0.068 11.572 208 HD22 LEU 27 HD22 LEU 27 6.247 -0.681 11.350 209 HD23 LEU 27 HD23 LEU 27 5.688 0.557 10.221 210 H SER 28 HN SER 28 8.499 3.495 13.182 211 HA SER 28 HA SER 28 9.302 5.681 11.464 212 HB2 SER 28 HB2 SER 28 10.970 3.899 13.253 213 HB3 SER 28 HB1 SER 28 11.464 5.430 12.531 214 HG SER 28 HG SER 28 9.352 6.080 13.738 215 H ARG 29 HN ARG 29 11.351 5.207 10.152 216 HA ARG 29 HA ARG 29 10.682 3.557 8.017 217 HB2 ARG 29 HB2 ARG 29 12.083 5.495 7.784 218 HB3 ARG 29 HB1 ARG 29 13.323 4.772 8.788 219 HG2 ARG 29 HG2 ARG 29 13.646 3.026 7.073 220 HG3 ARG 29 HG1 ARG 29 12.470 3.861 6.053 221 HD2 ARG 29 HD2 ARG 29 15.036 5.031 7.110 222 HD3 ARG 29 HD1 ARG 29 14.767 4.462 5.464 223 HE ARG 29 HE ARG 29 12.867 6.232 5.577 224 HH11 ARG 29 HH11 ARG 29 16.103 6.602 6.978 225 HH12 ARG 29 HH12 ARG 29 16.154 8.274 6.729 226 HH21 ARG 29 HH21 ARG 29 12.944 8.502 5.244 227 HH22 ARG 29 HH22 ARG 29 14.331 9.390 5.678 228 H ASP 30 HN ASP 30 13.198 3.023 10.469 229 HA ASP 30 HA ASP 30 14.208 0.620 9.385 230 HB2 ASP 30 HB2 ASP 30 15.418 2.026 11.043 231 HB3 ASP 30 HB1 ASP 30 14.279 1.499 12.277 232 H GLN 31 HN GLN 31 11.785 1.265 11.778 233 HA GLN 31 HA GLN 31 11.265 -1.391 12.549 234 HB2 GLN 31 HB2 GLN 31 9.644 1.136 12.752 235 HB3 GLN 31 HB1 GLN 31 9.054 -0.406 13.342 236 HG2 GLN 31 HG2 GLN 31 9.948 0.893 15.152 237 HG3 GLN 31 HG1 GLN 31 10.938 -0.537 14.881 238 HE21 GLN 31 HE21 GLN 31 12.708 0.320 15.895 239 HE22 GLN 31 HE22 GLN 31 13.650 1.593 15.255 240 H ALA 32 HN ALA 32 9.881 0.705 10.143 241 HA ALA 32 HA ALA 32 7.717 -0.809 9.282 242 HB1 ALA 32 HB1 ALA 32 7.889 0.435 7.180 243 HB2 ALA 32 HB2 ALA 32 9.539 0.894 7.596 244 HB3 ALA 32 HB3 ALA 32 8.192 1.487 8.567 245 H ILE 33 HN ILE 33 11.075 -0.991 8.307 246 HA ILE 33 HA ILE 33 10.835 -2.910 6.245 247 HB ILE 33 HB ILE 33 13.203 -2.355 8.052 248 HG12 ILE 33 HG12 ILE 33 12.590 -1.139 5.366 249 HG13 ILE 33 HG11 ILE 33 12.195 -0.359 6.895 250 HG21 ILE 33 HG21 ILE 33 13.075 -3.537 5.264 251 HG22 ILE 33 HG22 ILE 33 13.464 -4.422 6.739 252 HG23 ILE 33 HG23 ILE 33 14.547 -3.162 6.152 253 HD11 ILE 33 HD11 ILE 33 14.940 -1.095 5.927 254 HD12 ILE 33 HD12 ILE 33 14.531 -0.412 7.502 255 HD13 ILE 33 HD13 ILE 33 14.235 0.532 6.038 256 H ALA 34 HN ALA 34 11.285 -3.114 9.696 257 HA ALA 34 HA ALA 34 11.841 -5.865 9.944 258 HB1 ALA 34 HB1 ALA 34 12.198 -4.270 11.780 259 HB2 ALA 34 HB2 ALA 34 11.228 -5.654 12.290 260 HB3 ALA 34 HB3 ALA 34 10.451 -4.105 11.963 261 H LEU 35 HN LEU 35 8.773 -4.189 9.629 262 HA LEU 35 HA LEU 35 7.200 -6.514 10.180 263 HB2 LEU 35 HB2 LEU 35 6.525 -3.896 8.844 264 HB3 LEU 35 HB1 LEU 35 5.376 -5.206 8.893 265 HG LEU 35 HG LEU 35 4.807 -3.625 10.577 266 HD11 LEU 35 HD11 LEU 35 6.057 -6.010 11.890 267 HD12 LEU 35 HD12 LEU 35 4.446 -5.898 11.179 268 HD13 LEU 35 HD13 LEU 35 4.850 -4.932 12.598 269 HD21 LEU 35 HD21 LEU 35 6.958 -2.534 10.836 270 HD22 LEU 35 HD22 LEU 35 7.575 -3.939 11.711 271 HD23 LEU 35 HD23 LEU 35 6.260 -2.971 12.394 272 H LEU 36 HN LEU 36 8.485 -5.040 7.299 273 HA LEU 36 HA LEU 36 7.044 -6.740 5.515 274 HB2 LEU 36 HB2 LEU 36 9.299 -4.850 5.067 275 HB3 LEU 36 HB1 LEU 36 8.511 -5.721 3.776 276 HG LEU 36 HG LEU 36 7.281 -3.650 5.589 277 HD11 LEU 36 HD11 LEU 36 7.025 -2.409 3.512 278 HD12 LEU 36 HD12 LEU 36 7.893 -3.688 2.657 279 HD13 LEU 36 HD13 LEU 36 8.706 -2.746 3.913 280 HD21 LEU 36 HD21 LEU 36 5.995 -5.277 3.395 281 HD22 LEU 36 HD22 LEU 36 5.286 -3.871 4.176 282 HD23 LEU 36 HD23 LEU 36 5.591 -5.331 5.117 283 H LYS 37 HN LYS 37 10.197 -6.956 6.989 284 HA LYS 37 HA LYS 37 11.049 -8.981 5.154 285 HB2 LYS 37 HB2 LYS 37 12.978 -9.296 6.603 286 HB3 LYS 37 HB1 LYS 37 12.671 -7.578 6.408 287 HG2 LYS 37 HG2 LYS 37 11.609 -7.527 8.616 288 HG3 LYS 37 HG1 LYS 37 11.926 -9.251 8.801 289 HD2 LYS 37 HD2 LYS 37 13.642 -8.062 9.984 290 HD3 LYS 37 HD1 LYS 37 14.363 -8.763 8.537 291 HE2 LYS 37 HE2 LYS 37 14.156 -6.584 7.405 292 HE3 LYS 37 HE1 LYS 37 13.479 -5.889 8.867 293 HZ1 LYS 37 HZ1 LYS 37 15.701 -5.338 8.980 294 HZ2 LYS 37 HZ2 LYS 37 16.194 -6.739 8.269 295 HZ3 LYS 37 HZ3 LYS 37 15.717 -6.770 9.894 296 H ASP 38 HN ASP 38 8.792 -8.932 7.439 297 HA ASP 38 HA ASP 38 8.996 -11.757 8.169 298 HB2 ASP 38 HB2 ASP 38 8.778 -10.337 10.090 299 HB3 ASP 38 HB1 ASP 38 7.511 -9.393 9.330 300 H LYS 39 HN LYS 39 7.673 -9.835 5.831 301 HA LYS 39 HA LYS 39 5.259 -11.476 5.614 302 HB2 LYS 39 HB2 LYS 39 5.573 -8.547 4.961 303 HB3 LYS 39 HB1 LYS 39 4.180 -9.497 4.499 304 HG2 LYS 39 HG2 LYS 39 4.960 -9.301 7.391 305 HG3 LYS 39 HG1 LYS 39 4.100 -7.974 6.625 306 HD2 LYS 39 HD2 LYS 39 2.439 -9.305 7.680 307 HD3 LYS 39 HD1 LYS 39 2.321 -9.664 5.971 308 HE2 LYS 39 HE2 LYS 39 2.075 -11.704 7.150 309 HE3 LYS 39 HE1 LYS 39 3.658 -11.782 6.431 310 HZ1 LYS 39 HZ1 LYS 39 3.029 -11.159 9.264 311 HZ2 LYS 39 HZ2 LYS 39 4.605 -11.209 8.670 312 HZ3 LYS 39 HZ3 LYS 39 3.659 -12.578 8.670 313 H ASP 40 HN ASP 40 4.317 -11.302 3.352 314 HA ASP 40 HA ASP 40 6.313 -12.419 1.549 315 HB2 ASP 40 HB2 ASP 40 3.301 -12.178 1.252 316 HB3 ASP 40 HB1 ASP 40 4.348 -13.037 0.144 317 HA PRO 41 HA PRO 41 6.573 -8.978 -1.340 318 HB2 PRO 41 HB2 PRO 41 5.974 -10.342 -3.710 319 HB3 PRO 41 HB1 PRO 41 7.584 -10.185 -3.003 320 HG2 PRO 41 HG2 PRO 41 5.636 -12.441 -2.798 321 HG3 PRO 41 HG1 PRO 41 7.401 -12.497 -2.975 322 HD2 PRO 41 HD2 PRO 41 6.273 -12.964 -0.621 323 HD3 PRO 41 HD1 PRO 41 7.761 -12.001 -0.738 324 H GLY 42 HN GLY 42 5.094 -7.497 -1.687 325 HA2 GLY 42 HA2 GLY 42 3.070 -6.875 -2.958 326 HA3 GLY 42 HA1 GLY 42 2.332 -8.337 -2.307 327 H ALA 43 HN ALA 43 3.767 -7.843 0.260 328 HA ALA 43 HA ALA 43 1.672 -6.366 1.498 329 HB1 ALA 43 HB1 ALA 43 2.673 -8.316 2.598 330 HB2 ALA 43 HB2 ALA 43 2.831 -6.868 3.595 331 HB3 ALA 43 HB3 ALA 43 4.217 -7.470 2.689 332 H PHE 44 HN PHE 44 1.871 -4.400 2.659 333 HA PHE 44 HA PHE 44 4.284 -2.848 2.305 334 HB2 PHE 44 HB2 PHE 44 3.261 -1.082 1.060 335 HB3 PHE 44 HB1 PHE 44 2.961 -2.572 0.180 336 HD1 PHE 44 HD2 PHE 44 0.646 -3.666 0.491 337 HD2 PHE 44 HD1 PHE 44 1.502 0.333 1.637 338 HE1 PHE 44 HE2 PHE 44 -1.745 -3.146 0.471 339 HE2 PHE 44 HE1 PHE 44 -0.891 0.857 1.623 340 HZ PHE 44 HZ PHE 44 -2.520 -0.882 1.041 341 H LEU 45 HN LEU 45 3.784 -0.582 3.169 342 HA LEU 45 HA LEU 45 1.540 -0.214 4.854 343 HB2 LEU 45 HB2 LEU 45 2.623 0.015 6.975 344 HB3 LEU 45 HB1 LEU 45 3.022 -1.570 6.361 345 HG LEU 45 HG LEU 45 4.895 0.808 6.304 346 HD11 LEU 45 HD11 LEU 45 4.416 0.166 8.559 347 HD12 LEU 45 HD12 LEU 45 6.045 -0.351 8.119 348 HD13 LEU 45 HD13 LEU 45 4.732 -1.525 8.182 349 HD21 LEU 45 HD21 LEU 45 5.381 -0.876 4.601 350 HD22 LEU 45 HD22 LEU 45 5.412 -2.125 5.851 351 HD23 LEU 45 HD23 LEU 45 6.619 -0.834 5.856 352 H ILE 46 HN ILE 46 1.375 1.968 5.506 353 HA ILE 46 HA ILE 46 3.352 3.717 4.238 354 HB ILE 46 HB ILE 46 0.332 4.141 4.292 355 HG12 ILE 46 HG12 ILE 46 2.204 3.690 1.960 356 HG13 ILE 46 HG11 ILE 46 1.080 2.496 2.600 357 HG21 ILE 46 HG21 ILE 46 2.501 5.900 3.127 358 HG22 ILE 46 HG22 ILE 46 1.539 6.255 4.561 359 HG23 ILE 46 HG23 ILE 46 0.765 6.175 2.977 360 HD11 ILE 46 HD11 ILE 46 -0.795 3.910 1.922 361 HD12 ILE 46 HD12 ILE 46 0.244 3.533 0.550 362 HD13 ILE 46 HD13 ILE 46 0.326 5.122 1.312 363 H ARG 47 HN ARG 47 4.079 5.306 5.459 364 HA ARG 47 HA ARG 47 2.625 6.028 7.884 365 HB2 ARG 47 HB2 ARG 47 4.622 6.051 9.269 366 HB3 ARG 47 HB1 ARG 47 4.538 4.482 8.488 367 HG2 ARG 47 HG2 ARG 47 6.192 6.683 7.351 368 HG3 ARG 47 HG1 ARG 47 6.802 5.673 8.662 369 HD2 ARG 47 HD2 ARG 47 6.578 3.721 7.301 370 HD3 ARG 47 HD1 ARG 47 5.821 4.651 5.994 371 HE ARG 47 HE ARG 47 8.132 5.944 6.433 372 HH11 ARG 47 HH11 ARG 47 7.456 2.579 5.620 373 HH12 ARG 47 HH12 ARG 47 8.970 2.337 4.852 374 HH21 ARG 47 HH21 ARG 47 10.155 5.607 5.360 375 HH22 ARG 47 HH22 ARG 47 10.517 4.084 4.691 376 H ASP 48 HN ASP 48 3.808 8.209 8.742 377 HA ASP 48 HA ASP 48 3.657 10.035 6.497 378 HB2 ASP 48 HB2 ASP 48 2.646 10.448 8.813 379 HB3 ASP 48 HB1 ASP 48 4.285 10.667 9.399 380 H SER 49 HN SER 49 5.408 11.444 5.838 381 HA SER 49 HA SER 49 8.000 10.197 6.363 382 HB2 SER 49 HB2 SER 49 7.316 10.255 4.004 383 HB3 SER 49 HB1 SER 49 7.156 12.008 4.092 384 HG SER 49 HG SER 49 9.370 10.437 3.810 385 H HIS 50 HN HIS 50 9.692 11.269 7.114 386 HA HIS 50 HA HIS 50 9.219 13.980 8.069 387 HB2 HIS 50 HB2 HIS 50 11.382 11.982 8.786 388 HB3 HIS 50 HB1 HIS 50 11.264 13.601 9.449 389 HD1 HIS 50 HD1 HIS 50 10.348 10.204 10.229 390 HD2 HIS 50 HD2 HIS 50 8.662 13.950 10.859 391 HE1 HIS 50 HE1 HIS 50 8.699 9.924 12.081 392 H SER 51 HN SER 51 10.564 12.365 5.501 393 HA SER 51 HA SER 51 12.911 13.973 5.163 394 HB2 SER 51 HB2 SER 51 12.671 11.628 4.253 395 HB3 SER 51 HB1 SER 51 11.512 12.257 3.088 396 HG SER 51 HG SER 51 13.495 13.825 2.727 397 H PHE 52 HN PHE 52 9.637 13.914 3.828 398 HA PHE 52 HA PHE 52 10.027 16.700 3.047 399 HB2 PHE 52 HB2 PHE 52 8.477 14.604 1.507 400 HB3 PHE 52 HB1 PHE 52 8.454 16.324 1.148 401 HD1 PHE 52 HD1 PHE 52 10.443 17.426 0.267 402 HD2 PHE 52 HD2 PHE 52 10.303 13.233 0.883 403 HE1 PHE 52 HE1 PHE 52 12.420 17.153 -1.182 404 HE2 PHE 52 HE2 PHE 52 12.254 12.932 -0.534 405 HZ PHE 52 HZ PHE 52 13.338 14.901 -1.591 406 H GLN 53 HN GLN 53 8.360 18.013 3.495 407 HA GLN 53 HA GLN 53 6.536 17.031 5.499 408 HB2 GLN 53 HB2 GLN 53 6.946 19.813 4.408 409 HB3 GLN 53 HB1 GLN 53 5.926 19.404 5.777 410 HG2 GLN 53 HG2 GLN 53 7.923 18.542 6.961 411 HG3 GLN 53 HG1 GLN 53 8.901 19.074 5.594 412 HE21 GLN 53 HE21 GLN 53 10.062 20.450 6.960 413 HE22 GLN 53 HE22 GLN 53 9.394 21.945 7.517 414 H GLY 54 HN GLY 54 4.524 16.465 5.138 415 HA2 GLY 54 HA2 GLY 54 2.414 16.489 4.141 416 HA3 GLY 54 HA1 GLY 54 3.038 17.577 2.902 417 H ALA 55 HN ALA 55 4.618 14.653 3.889 418 HA ALA 55 HA ALA 55 3.818 13.324 1.432 419 HB1 ALA 55 HB1 ALA 55 6.658 13.594 2.419 420 HB2 ALA 55 HB2 ALA 55 5.986 14.384 0.993 421 HB3 ALA 55 HB3 ALA 55 6.133 12.625 1.043 422 H TYR 56 HN TYR 56 4.209 11.061 1.540 423 HA TYR 56 HA TYR 56 4.311 9.942 4.275 424 HB2 TYR 56 HB2 TYR 56 2.610 8.946 1.966 425 HB3 TYR 56 HB1 TYR 56 2.641 8.315 3.604 426 HD1 TYR 56 HD2 TYR 56 1.847 9.840 5.472 427 HD2 TYR 56 HD1 TYR 56 1.113 10.644 1.372 428 HE1 TYR 56 HE2 TYR 56 0.040 11.367 6.104 429 HE2 TYR 56 HE1 TYR 56 -0.700 12.186 1.990 430 HH TYR 56 HH TYR 56 -1.050 13.302 5.133 431 H GLY 57 HN GLY 57 5.056 7.697 4.219 432 HA2 GLY 57 HA2 GLY 57 6.720 7.256 1.853 433 HA3 GLY 57 HA1 GLY 57 7.348 6.922 3.449 434 H LEU 58 HN LEU 58 6.359 5.458 0.809 435 HA LEU 58 HA LEU 58 4.744 3.385 2.044 436 HB2 LEU 58 HB2 LEU 58 3.775 4.405 0.061 437 HB3 LEU 58 HB1 LEU 58 5.266 4.243 -0.814 438 HG LEU 58 HG LEU 58 3.369 2.758 -1.549 439 HD11 LEU 58 HD11 LEU 58 5.881 1.324 -0.738 440 HD12 LEU 58 HD12 LEU 58 5.606 2.214 -2.236 441 HD13 LEU 58 HD13 LEU 58 4.688 0.746 -1.902 442 HD21 LEU 58 HD21 LEU 58 3.942 1.340 1.040 443 HD22 LEU 58 HD22 LEU 58 2.955 0.711 -0.278 444 HD23 LEU 58 HD23 LEU 58 2.445 2.158 0.585 445 H ALA 59 HN ALA 59 5.625 1.487 2.415 446 HA ALA 59 HA ALA 59 8.207 0.864 1.174 447 HB1 ALA 59 HB1 ALA 59 7.178 0.073 3.900 448 HB2 ALA 59 HB2 ALA 59 8.482 1.220 3.569 449 HB3 ALA 59 HB3 ALA 59 8.683 -0.490 3.180 450 H LEU 60 HN LEU 60 8.129 -0.842 -0.068 451 HA LEU 60 HA LEU 60 5.820 -2.665 0.153 452 HB2 LEU 60 HB2 LEU 60 5.646 -1.327 -1.831 453 HB3 LEU 60 HB1 LEU 60 7.310 -1.660 -2.260 454 HG LEU 60 HG LEU 60 6.683 -4.055 -2.575 455 HD11 LEU 60 HD11 LEU 60 4.326 -4.621 -2.870 456 HD12 LEU 60 HD12 LEU 60 3.880 -3.025 -2.263 457 HD13 LEU 60 HD13 LEU 60 4.710 -4.171 -1.210 458 HD21 LEU 60 HD21 LEU 60 6.917 -2.593 -4.466 459 HD22 LEU 60 HD22 LEU 60 5.267 -2.009 -4.260 460 HD23 LEU 60 HD23 LEU 60 5.557 -3.682 -4.738 461 H LYS 61 HN LYS 61 6.333 -4.730 0.455 462 HA LYS 61 HA LYS 61 9.095 -5.595 0.243 463 HB2 LYS 61 HB2 LYS 61 7.727 -6.335 2.166 464 HB3 LYS 61 HB1 LYS 61 6.575 -7.055 1.069 465 HG2 LYS 61 HG2 LYS 61 8.032 -8.728 2.131 466 HG3 LYS 61 HG1 LYS 61 8.216 -8.722 0.369 467 HD2 LYS 61 HD2 LYS 61 10.271 -7.384 0.670 468 HD3 LYS 61 HD1 LYS 61 10.051 -7.476 2.421 469 HE2 LYS 61 HE2 LYS 61 10.490 -9.781 0.525 470 HE3 LYS 61 HE1 LYS 61 11.634 -9.161 1.713 471 HZ1 LYS 61 HZ1 LYS 61 9.990 -9.824 3.466 472 HZ2 LYS 61 HZ2 LYS 61 10.586 -11.108 2.576 473 HZ3 LYS 61 HZ3 LYS 61 9.059 -10.550 2.274 474 H VAL 62 HN VAL 62 9.799 -6.232 -1.705 475 HA VAL 62 HA VAL 62 7.886 -7.533 -3.529 476 HB VAL 62 HB VAL 62 9.249 -6.881 -5.387 477 HG11 VAL 62 HG11 VAL 62 7.689 -5.229 -4.770 478 HG12 VAL 62 HG12 VAL 62 9.186 -4.413 -5.258 479 HG13 VAL 62 HG13 VAL 62 8.784 -4.579 -3.554 480 HG21 VAL 62 HG21 VAL 62 11.295 -5.523 -5.177 481 HG22 VAL 62 HG22 VAL 62 11.472 -7.103 -4.418 482 HG23 VAL 62 HG23 VAL 62 11.201 -5.674 -3.422 483 H ALA 63 HN ALA 63 9.081 -9.102 -5.046 484 HA ALA 63 HA ALA 63 10.233 -11.082 -3.375 485 HB1 ALA 63 HB1 ALA 63 8.877 -11.692 -5.337 486 HB2 ALA 63 HB2 ALA 63 10.503 -12.363 -5.469 487 HB3 ALA 63 HB3 ALA 63 10.064 -10.931 -6.397 488 H THR 64 HN THR 64 11.454 -9.309 -6.169 489 HA THR 64 HA THR 64 13.977 -8.843 -4.850 490 HB THR 64 HB THR 64 15.178 -9.576 -7.001 491 HG1 THR 64 HG1 THR 64 13.657 -10.091 -8.396 492 HG21 THR 64 HG21 THR 64 15.482 -11.902 -6.228 493 HG22 THR 64 HG22 THR 64 14.074 -11.723 -5.185 494 HG23 THR 64 HG23 THR 64 15.519 -10.758 -4.886 495 HA PRO 65 HA PRO 65 13.520 -5.073 -7.275 496 HB2 PRO 65 HB2 PRO 65 16.447 -4.770 -6.866 497 HB3 PRO 65 HB1 PRO 65 15.147 -3.660 -6.437 498 HG2 PRO 65 HG2 PRO 65 16.465 -5.090 -4.577 499 HG3 PRO 65 HG1 PRO 65 14.747 -4.699 -4.409 500 HD2 PRO 65 HD2 PRO 65 16.053 -7.264 -5.227 501 HD3 PRO 65 HD1 PRO 65 14.595 -6.995 -4.223 502 HA PRO 66 HA PRO 66 16.663 -6.656 -10.740 503 HB2 PRO 66 HB2 PRO 66 17.731 -9.148 -10.268 504 HB3 PRO 66 HB1 PRO 66 18.531 -7.659 -9.721 505 HG2 PRO 66 HG2 PRO 66 16.703 -9.390 -8.183 506 HG3 PRO 66 HG1 PRO 66 18.355 -8.874 -7.771 507 HD2 PRO 66 HD2 PRO 66 16.262 -7.722 -6.876 508 HD3 PRO 66 HD1 PRO 66 17.643 -6.689 -7.391 509 HA PRO 67 HA PRO 67 13.048 -8.898 -12.093 510 HB2 PRO 67 HB2 PRO 67 13.855 -9.496 -14.640 511 HB3 PRO 67 HB1 PRO 67 13.277 -7.901 -14.145 512 HG2 PRO 67 HG2 PRO 67 16.085 -8.884 -14.469 513 HG3 PRO 67 HG1 PRO 67 15.389 -7.324 -14.953 514 HD2 PRO 67 HD2 PRO 67 16.878 -7.619 -12.718 515 HD3 PRO 67 HD1 PRO 67 15.525 -6.466 -12.806 516 H SER 68 HN SER 68 16.233 -10.325 -12.529 517 HA SER 68 HA SER 68 14.981 -12.980 -12.435 518 HB2 SER 68 HB2 SER 68 16.184 -12.600 -14.520 519 HB3 SER 68 HB1 SER 68 17.630 -12.139 -13.627 520 HG SER 68 HG SER 68 16.400 -14.667 -13.344 521 H ALA 69 HN ALA 69 17.668 -11.007 -11.389 522 HA ALA 69 HA ALA 69 18.883 -10.873 -9.598 523 HB1 ALA 69 HB1 ALA 69 17.201 -13.006 -8.254 524 HB2 ALA 69 HB2 ALA 69 16.842 -11.277 -8.285 525 HB3 ALA 69 HB3 ALA 69 18.287 -11.840 -7.474 526 H GLN 70 HN GLN 70 18.750 -13.523 -11.523 527 HA GLN 70 HA GLN 70 20.755 -15.106 -10.396 528 HB2 GLN 70 HB2 GLN 70 19.565 -16.004 -12.286 529 HB3 GLN 70 HB1 GLN 70 20.039 -14.676 -13.327 530 HG2 GLN 70 HG2 GLN 70 22.370 -15.425 -13.208 531 HG3 GLN 70 HG1 GLN 70 21.889 -16.744 -12.150 532 HE21 GLN 70 HE21 GLN 70 19.959 -15.722 -14.888 533 HE22 GLN 70 HE22 GLN 70 20.238 -17.140 -15.817 534 HA PRO 71 HA PRO 71 23.948 -11.955 -12.007 535 HB2 PRO 71 HB2 PRO 71 22.347 -9.575 -12.681 536 HB3 PRO 71 HB1 PRO 71 23.689 -10.283 -13.582 537 HG2 PRO 71 HG2 PRO 71 21.149 -10.402 -14.484 538 HG3 PRO 71 HG1 PRO 71 22.319 -11.700 -14.777 539 HD2 PRO 71 HD2 PRO 71 20.106 -11.564 -12.766 540 HD3 PRO 71 HD1 PRO 71 20.662 -12.923 -13.766 541 H TRP 72 HN TRP 72 24.267 -11.846 -9.898 542 HA TRP 72 HA TRP 72 22.425 -10.325 -8.158 543 HB2 TRP 72 HB2 TRP 72 22.507 -12.759 -7.762 544 HB3 TRP 72 HB1 TRP 72 24.247 -12.656 -7.529 545 HD1 TRP 72 HD1 TRP 72 25.101 -11.498 -5.292 546 HE1 TRP 72 HE1 TRP 72 24.011 -11.075 -3.079 547 HE3 TRP 72 HE3 TRP 72 20.276 -12.333 -6.688 548 HZ2 TRP 72 HZ2 TRP 72 21.363 -11.140 -1.980 549 HZ3 TRP 72 HZ3 TRP 72 18.507 -12.149 -4.983 550 HH2 TRP 72 HH2 TRP 72 19.046 -11.563 -2.673 551 H LYS 73 HN LYS 73 23.276 -9.020 -6.592 552 HA LYS 73 HA LYS 73 26.119 -8.357 -6.934 553 HB2 LYS 73 HB2 LYS 73 24.555 -6.607 -7.715 554 HB3 LYS 73 HB1 LYS 73 23.922 -6.528 -6.075 555 HG2 LYS 73 HG2 LYS 73 26.120 -5.909 -5.250 556 HG3 LYS 73 HG1 LYS 73 26.748 -5.978 -6.893 557 HD2 LYS 73 HD2 LYS 73 26.340 -3.710 -6.436 558 HD3 LYS 73 HD1 LYS 73 25.056 -4.288 -7.504 559 HE2 LYS 73 HE2 LYS 73 24.708 -4.264 -4.551 560 HE3 LYS 73 HE1 LYS 73 24.422 -2.769 -5.454 561 HZ1 LYS 73 HZ1 LYS 73 22.349 -3.833 -5.134 562 HZ2 LYS 73 HZ2 LYS 73 22.864 -5.334 -5.501 563 HZ3 LYS 73 HZ3 LYS 73 22.712 -4.170 -6.740 564 H GLY 74 HN GLY 74 23.629 -7.994 -4.478 565 HA2 GLY 74 HA2 GLY 74 24.709 -9.440 -2.482 566 HA3 GLY 74 HA1 GLY 74 25.710 -7.989 -2.470 567 H ASP 75 HN ASP 75 22.377 -9.019 -2.534 568 HA ASP 75 HA ASP 75 21.694 -6.468 -1.295 569 HB2 ASP 75 HB2 ASP 75 20.150 -8.053 -3.359 570 HB3 ASP 75 HB1 ASP 75 19.588 -6.576 -2.583 571 HA PRO 76 HA PRO 76 20.018 -9.361 1.657 572 HB2 PRO 76 HB2 PRO 76 19.640 -7.654 3.662 573 HB3 PRO 76 HB1 PRO 76 21.273 -8.111 3.146 574 HG2 PRO 76 HG2 PRO 76 19.736 -5.613 2.558 575 HG3 PRO 76 HG1 PRO 76 21.451 -5.803 2.958 576 HD2 PRO 76 HD2 PRO 76 20.442 -5.527 0.386 577 HD3 PRO 76 HD1 PRO 76 22.023 -6.219 0.796 578 H VAL 77 HN VAL 77 18.031 -9.257 3.157 579 HA VAL 77 HA VAL 77 15.742 -9.027 1.630 580 HB VAL 77 HB VAL 77 15.683 -10.575 3.440 581 HG11 VAL 77 HG11 VAL 77 16.084 -8.266 5.320 582 HG12 VAL 77 HG12 VAL 77 17.269 -9.523 4.945 583 HG13 VAL 77 HG13 VAL 77 15.777 -9.933 5.797 584 HG21 VAL 77 HG21 VAL 77 13.650 -10.008 4.645 585 HG22 VAL 77 HG22 VAL 77 13.521 -9.491 2.952 586 HG23 VAL 77 HG23 VAL 77 13.892 -8.315 4.223 587 H GLU 78 HN GLU 78 17.209 -6.620 3.681 588 HA GLU 78 HA GLU 78 15.006 -4.888 3.795 589 HB2 GLU 78 HB2 GLU 78 17.952 -4.283 4.033 590 HB3 GLU 78 HB1 GLU 78 16.665 -3.154 4.417 591 HG2 GLU 78 HG2 GLU 78 17.465 -4.077 6.476 592 HG3 GLU 78 HG1 GLU 78 15.880 -4.754 6.162 593 H GLN 79 HN GLN 79 17.171 -5.617 1.225 594 HA GLN 79 HA GLN 79 16.642 -3.117 -0.172 595 HB2 GLN 79 HB2 GLN 79 18.844 -4.245 -0.405 596 HB3 GLN 79 HB1 GLN 79 18.034 -5.613 -1.149 597 HG2 GLN 79 HG2 GLN 79 18.937 -4.391 -2.899 598 HG3 GLN 79 HG1 GLN 79 17.220 -4.024 -2.925 599 HE21 GLN 79 HE21 GLN 79 17.677 -2.010 -0.611 600 HE22 GLN 79 HE22 GLN 79 18.374 -0.674 -1.409 601 H LEU 80 HN LEU 80 15.274 -6.201 0.208 602 HA LEU 80 HA LEU 80 13.789 -6.284 -2.245 603 HB2 LEU 80 HB2 LEU 80 13.142 -7.671 0.360 604 HB3 LEU 80 HB1 LEU 80 12.610 -8.132 -1.241 605 HG LEU 80 HG LEU 80 15.425 -8.314 -0.184 606 HD11 LEU 80 HD11 LEU 80 13.935 -9.968 0.777 607 HD12 LEU 80 HD12 LEU 80 15.083 -10.720 -0.328 608 HD13 LEU 80 HD13 LEU 80 13.415 -10.450 -0.837 609 HD21 LEU 80 HD21 LEU 80 15.927 -9.527 -2.258 610 HD22 LEU 80 HD22 LEU 80 15.465 -7.855 -2.556 611 HD23 LEU 80 HD23 LEU 80 14.305 -9.158 -2.848 612 H VAL 81 HN VAL 81 13.598 -4.692 0.714 613 HA VAL 81 HA VAL 81 10.821 -3.955 0.434 614 HB VAL 81 HB VAL 81 12.939 -3.069 2.430 615 HG11 VAL 81 HG11 VAL 81 11.300 -1.298 2.109 616 HG12 VAL 81 HG12 VAL 81 11.041 -2.066 3.679 617 HG13 VAL 81 HG13 VAL 81 9.991 -2.455 2.314 618 HG21 VAL 81 HG21 VAL 81 10.575 -4.918 2.716 619 HG22 VAL 81 HG22 VAL 81 11.633 -4.420 4.032 620 HG23 VAL 81 HG23 VAL 81 12.272 -5.393 2.703 621 H ARG 82 HN ARG 82 10.349 -2.508 -0.964 622 HA ARG 82 HA ARG 82 12.393 -0.637 -1.926 623 HB2 ARG 82 HB2 ARG 82 9.662 -1.111 -3.092 624 HB3 ARG 82 HB1 ARG 82 11.049 -0.357 -3.863 625 HG2 ARG 82 HG2 ARG 82 10.701 -3.272 -3.195 626 HG3 ARG 82 HG1 ARG 82 10.701 -2.539 -4.799 627 HD2 ARG 82 HD2 ARG 82 13.004 -2.553 -2.883 628 HD3 ARG 82 HD1 ARG 82 12.803 -3.684 -4.227 629 HE ARG 82 HE ARG 82 12.767 -1.469 -5.572 630 HH11 ARG 82 HH11 ARG 82 14.857 -2.230 -2.805 631 HH12 ARG 82 HH12 ARG 82 16.081 -1.135 -3.287 632 HH21 ARG 82 HH21 ARG 82 14.548 -0.063 -6.249 633 HH22 ARG 82 HH22 ARG 82 15.910 0.073 -5.257 634 H HIS 83 HN HIS 83 12.215 1.437 -1.478 635 HA HIS 83 HA HIS 83 9.795 2.315 -0.102 636 HB2 HIS 83 HB2 HIS 83 12.630 3.244 0.111 637 HB3 HIS 83 HB1 HIS 83 11.304 4.306 0.569 638 HD1 HIS 83 HD1 HIS 83 13.252 1.382 1.768 639 HD2 HIS 83 HD2 HIS 83 9.791 3.441 2.756 640 HE1 HIS 83 HE1 HIS 83 12.681 0.702 4.130 641 H PHE 84 HN PHE 84 8.489 3.607 -0.985 642 HA PHE 84 HA PHE 84 9.369 5.475 -3.074 643 HB2 PHE 84 HB2 PHE 84 6.836 3.792 -3.055 644 HB3 PHE 84 HB1 PHE 84 7.160 5.100 -4.175 645 HD1 PHE 84 HD2 PHE 84 8.067 1.666 -3.219 646 HD2 PHE 84 HD1 PHE 84 8.569 4.784 -6.068 647 HE1 PHE 84 HE2 PHE 84 9.094 0.069 -4.788 648 HE2 PHE 84 HE1 PHE 84 9.587 3.190 -7.634 649 HZ PHE 84 HZ PHE 84 9.849 0.829 -6.987 650 H LEU 85 HN LEU 85 8.739 7.503 -2.490 651 HA LEU 85 HA LEU 85 6.893 7.503 -0.268 652 HB2 LEU 85 HB2 LEU 85 7.750 9.650 0.419 653 HB3 LEU 85 HB1 LEU 85 9.046 8.500 0.226 654 HG LEU 85 HG LEU 85 9.224 9.702 -2.142 655 HD11 LEU 85 HD11 LEU 85 7.350 11.167 -1.792 656 HD12 LEU 85 HD12 LEU 85 8.846 12.120 -1.856 657 HD13 LEU 85 HD13 LEU 85 8.074 11.767 -0.303 658 HD21 LEU 85 HD21 LEU 85 10.969 11.109 -1.142 659 HD22 LEU 85 HD22 LEU 85 11.003 9.449 -0.535 660 HD23 LEU 85 HD23 LEU 85 10.326 10.735 0.463 661 H ILE 86 HN ILE 86 5.217 8.901 -0.109 662 HA ILE 86 HA ILE 86 3.987 9.408 -2.727 663 HB ILE 86 HB ILE 86 2.689 8.857 -0.046 664 HG12 ILE 86 HG12 ILE 86 2.972 7.058 -2.460 665 HG13 ILE 86 HG11 ILE 86 3.870 6.889 -0.959 666 HG21 ILE 86 HG21 ILE 86 1.309 10.243 -1.476 667 HG22 ILE 86 HG22 ILE 86 0.624 8.623 -1.347 668 HG23 ILE 86 HG23 ILE 86 1.497 9.098 -2.804 669 HD11 ILE 86 HD11 ILE 86 1.793 6.446 0.232 670 HD12 ILE 86 HD12 ILE 86 2.035 5.298 -1.089 671 HD13 ILE 86 HD13 ILE 86 0.890 6.631 -1.271 672 H GLU 87 HN GLU 87 3.197 11.379 -3.132 673 HA GLU 87 HA GLU 87 3.642 13.493 -1.125 674 HB2 GLU 87 HB2 GLU 87 3.685 13.681 -4.130 675 HB3 GLU 87 HB1 GLU 87 4.121 14.935 -2.983 676 HG2 GLU 87 HG2 GLU 87 6.081 13.755 -2.327 677 HG3 GLU 87 HG1 GLU 87 5.586 12.330 -3.242 678 H THR 88 HN THR 88 1.933 14.920 -0.858 679 HA THR 88 HA THR 88 -0.300 14.713 -2.693 680 HB THR 88 HB THR 88 -1.073 13.460 -0.780 681 HG1 THR 88 HG1 THR 88 -2.885 14.422 -0.734 682 HG21 THR 88 HG21 THR 88 0.541 14.157 0.858 683 HG22 THR 88 HG22 THR 88 -1.092 14.375 1.504 684 HG23 THR 88 HG23 THR 88 -0.170 15.773 0.931 685 H GLY 89 HN GLY 89 -1.269 16.607 -3.172 686 HA2 GLY 89 HA2 GLY 89 -0.644 19.049 -1.819 687 HA3 GLY 89 HA1 GLY 89 0.179 18.878 -3.369 688 HA PRO 90 HA PRO 90 -4.000 20.806 -4.080 689 HB2 PRO 90 HB2 PRO 90 -3.172 22.388 -6.169 690 HB3 PRO 90 HB1 PRO 90 -3.136 22.880 -4.475 691 HG2 PRO 90 HG2 PRO 90 -0.926 21.808 -6.179 692 HG3 PRO 90 HG1 PRO 90 -0.891 23.134 -5.006 693 HD2 PRO 90 HD2 PRO 90 0.075 20.711 -4.402 694 HD3 PRO 90 HD1 PRO 90 -0.766 21.701 -3.193 695 H LYS 91 HN LYS 91 -1.843 19.062 -6.118 696 HA LYS 91 HA LYS 91 -3.664 18.922 -8.311 697 HB2 LYS 91 HB2 LYS 91 -1.273 17.160 -7.765 698 HB3 LYS 91 HB1 LYS 91 -2.264 17.052 -9.205 699 HG2 LYS 91 HG2 LYS 91 -0.454 18.281 -9.891 700 HG3 LYS 91 HG1 LYS 91 -1.650 19.526 -9.527 701 HD2 LYS 91 HD2 LYS 91 -0.635 19.783 -7.299 702 HD3 LYS 91 HD1 LYS 91 0.603 18.611 -7.770 703 HE2 LYS 91 HE2 LYS 91 1.123 20.064 -9.689 704 HE3 LYS 91 HE1 LYS 91 -0.047 21.201 -9.005 705 HZ1 LYS 91 HZ1 LYS 91 2.299 21.738 -8.345 706 HZ2 LYS 91 HZ2 LYS 91 2.385 20.251 -7.583 707 HZ3 LYS 91 HZ3 LYS 91 1.332 21.402 -7.014 708 H GLY 92 HN GLY 92 -2.648 16.959 -5.604 709 HA2 GLY 92 HA2 GLY 92 -4.618 15.576 -4.741 710 HA3 GLY 92 HA1 GLY 92 -4.335 14.699 -6.253 711 H VAL 93 HN VAL 93 -3.693 12.877 -5.099 712 HA VAL 93 HA VAL 93 -1.087 13.159 -3.792 713 HB VAL 93 HB VAL 93 -2.961 12.429 -2.316 714 HG11 VAL 93 HG11 VAL 93 -4.323 11.181 -3.840 715 HG12 VAL 93 HG12 VAL 93 -3.860 10.161 -2.475 716 HG13 VAL 93 HG13 VAL 93 -3.054 9.975 -4.034 717 HG21 VAL 93 HG21 VAL 93 -0.869 10.325 -2.719 718 HG22 VAL 93 HG22 VAL 93 -1.832 10.584 -1.256 719 HG23 VAL 93 HG23 VAL 93 -0.675 11.810 -1.794 720 H LYS 94 HN LYS 94 0.598 11.886 -4.532 721 HA LYS 94 HA LYS 94 0.165 9.608 -6.193 722 HB2 LYS 94 HB2 LYS 94 1.007 10.333 -8.276 723 HB3 LYS 94 HB1 LYS 94 -0.054 11.632 -7.796 724 HG2 LYS 94 HG2 LYS 94 2.966 11.631 -7.693 725 HG3 LYS 94 HG1 LYS 94 1.955 12.484 -8.847 726 HD2 LYS 94 HD2 LYS 94 1.049 13.812 -6.918 727 HD3 LYS 94 HD1 LYS 94 2.254 13.029 -5.894 728 HE2 LYS 94 HE2 LYS 94 2.781 14.769 -8.306 729 HE3 LYS 94 HE1 LYS 94 3.092 15.185 -6.625 730 HZ1 LYS 94 HZ1 LYS 94 4.855 13.475 -6.571 731 HZ2 LYS 94 HZ2 LYS 94 5.079 14.536 -7.823 732 HZ3 LYS 94 HZ3 LYS 94 4.458 13.025 -8.153 733 H ILE 95 HN ILE 95 2.449 8.855 -7.031 734 HA ILE 95 HA ILE 95 4.125 8.902 -4.657 735 HB ILE 95 HB ILE 95 4.317 7.141 -7.135 736 HG12 ILE 95 HG12 ILE 95 3.150 6.518 -4.413 737 HG13 ILE 95 HG11 ILE 95 2.221 6.789 -5.878 738 HG21 ILE 95 HG21 ILE 95 5.768 5.705 -5.797 739 HG22 ILE 95 HG22 ILE 95 5.685 6.863 -4.465 740 HG23 ILE 95 HG23 ILE 95 6.455 7.320 -5.984 741 HD11 ILE 95 HD11 ILE 95 4.148 4.527 -5.386 742 HD12 ILE 95 HD12 ILE 95 3.231 4.790 -6.870 743 HD13 ILE 95 HD13 ILE 95 2.387 4.423 -5.367 744 H LYS 96 HN LYS 96 6.254 9.556 -4.661 745 HA LYS 96 HA LYS 96 7.143 11.700 -6.098 746 HB2 LYS 96 HB2 LYS 96 8.217 11.104 -4.059 747 HB3 LYS 96 HB1 LYS 96 8.665 9.526 -4.662 748 HG2 LYS 96 HG2 LYS 96 10.627 10.899 -4.550 749 HG3 LYS 96 HG1 LYS 96 10.235 10.613 -6.241 750 HD2 LYS 96 HD2 LYS 96 10.839 12.895 -6.082 751 HD3 LYS 96 HD1 LYS 96 9.084 12.861 -6.219 752 HE2 LYS 96 HE2 LYS 96 8.886 13.141 -3.794 753 HE3 LYS 96 HE1 LYS 96 10.643 13.174 -3.651 754 HZ1 LYS 96 HZ1 LYS 96 8.931 15.089 -5.095 755 HZ2 LYS 96 HZ2 LYS 96 10.617 15.177 -5.092 756 HZ3 LYS 96 HZ3 LYS 96 9.753 15.414 -3.667 757 H GLY 97 HN GLY 97 7.834 8.301 -6.834 758 HA2 GLY 97 HA2 GLY 97 8.867 9.193 -9.437 759 HA3 GLY 97 HA1 GLY 97 9.531 7.815 -8.562 760 H CYS 98 HN CYS 98 6.391 8.973 -9.657 761 HA CYS 98 HA CYS 98 5.755 6.212 -10.314 762 HB2 CYS 98 HB2 CYS 98 3.404 7.015 -10.599 763 HB3 CYS 98 HB1 CYS 98 4.020 7.162 -8.973 764 HG CYS 98 HG CYS 98 4.389 9.921 -9.115 765 HA PRO 99 HA PRO 99 6.079 7.326 -14.656 766 HB2 PRO 99 HB2 PRO 99 5.997 4.801 -15.595 767 HB3 PRO 99 HB1 PRO 99 7.444 5.446 -14.817 768 HG2 PRO 99 HG2 PRO 99 5.462 3.505 -13.808 769 HG3 PRO 99 HG1 PRO 99 7.164 3.697 -13.380 770 HD2 PRO 99 HD2 PRO 99 4.915 4.624 -11.911 771 HD3 PRO 99 HD1 PRO 99 6.628 4.956 -11.592 772 H SER 100 HN SER 100 3.593 7.317 -13.146 773 HA SER 100 HA SER 100 1.608 6.028 -14.845 774 HB2 SER 100 HB2 SER 100 1.553 6.181 -12.195 775 HB3 SER 100 HB1 SER 100 1.123 7.867 -12.561 776 HG SER 100 HG SER 100 -0.422 5.621 -12.771 777 H GLU 101 HN GLU 101 -0.165 8.219 -14.123 778 HA GLU 101 HA GLU 101 0.884 10.546 -15.404 779 HB2 GLU 101 HB2 GLU 101 0.279 9.141 -17.318 780 HB3 GLU 101 HB1 GLU 101 -1.372 9.044 -16.738 781 HG2 GLU 101 HG2 GLU 101 -1.251 10.663 -18.471 782 HG3 GLU 101 HG1 GLU 101 -1.527 11.429 -16.884 783 HA PRO 102 HA PRO 102 -3.436 11.684 -13.706 784 HB2 PRO 102 HB2 PRO 102 -5.089 9.891 -12.635 785 HB3 PRO 102 HB1 PRO 102 -4.996 10.110 -14.387 786 HG2 PRO 102 HG2 PRO 102 -3.689 8.022 -12.676 787 HG3 PRO 102 HG1 PRO 102 -4.580 7.812 -14.194 788 HD2 PRO 102 HD2 PRO 102 -1.882 7.893 -14.082 789 HD3 PRO 102 HD1 PRO 102 -2.809 8.490 -15.475 790 H TYR 103 HN TYR 103 -4.119 12.313 -11.657 791 HA TYR 103 HA TYR 103 -2.412 11.426 -9.441 792 HB2 TYR 103 HB2 TYR 103 -4.172 13.881 -9.732 793 HB3 TYR 103 HB1 TYR 103 -3.211 13.498 -8.315 794 HD1 TYR 103 HD2 TYR 103 -3.047 14.461 -11.875 795 HD2 TYR 103 HD1 TYR 103 -0.900 14.037 -8.235 796 HE1 TYR 103 HE2 TYR 103 -1.179 15.733 -12.835 797 HE2 TYR 103 HE1 TYR 103 0.970 15.317 -9.193 798 HH TYR 103 HH TYR 103 0.654 17.019 -12.179 799 H PHE 104 HN PHE 104 -3.507 11.078 -7.362 800 HA PHE 104 HA PHE 104 -6.247 10.166 -7.799 801 HB2 PHE 104 HB2 PHE 104 -4.186 9.075 -5.861 802 HB3 PHE 104 HB1 PHE 104 -5.827 8.470 -6.079 803 HD1 PHE 104 HD1 PHE 104 -6.460 7.285 -8.131 804 HD2 PHE 104 HD2 PHE 104 -2.456 8.557 -7.450 805 HE1 PHE 104 HE1 PHE 104 -5.687 5.822 -9.949 806 HE2 PHE 104 HE2 PHE 104 -1.677 7.092 -9.263 807 HZ PHE 104 HZ PHE 104 -3.286 5.730 -10.518 808 H GLY 105 HN GLY 105 -7.567 10.201 -5.739 809 HA2 GLY 105 HA2 GLY 105 -7.155 12.798 -4.499 810 HA3 GLY 105 HA1 GLY 105 -8.606 11.809 -4.403 811 H SER 106 HN SER 106 -7.636 9.451 -3.486 812 HA SER 106 HA SER 106 -6.525 10.175 -0.858 813 HB2 SER 106 HB2 SER 106 -8.559 8.031 -1.492 814 HB3 SER 106 HB1 SER 106 -7.995 8.508 0.110 815 HG SER 106 HG SER 106 -8.795 10.715 -0.932 816 H LEU 107 HN LEU 107 -5.351 8.429 0.206 817 HA LEU 107 HA LEU 107 -3.413 7.236 -1.385 818 HB2 LEU 107 HB2 LEU 107 -4.306 6.608 1.408 819 HB3 LEU 107 HB1 LEU 107 -2.888 5.873 0.674 820 HG LEU 107 HG LEU 107 -3.269 8.823 1.226 821 HD11 LEU 107 HD11 LEU 107 -1.594 8.499 2.968 822 HD12 LEU 107 HD12 LEU 107 -1.581 6.766 2.634 823 HD13 LEU 107 HD13 LEU 107 -3.035 7.529 3.277 824 HD21 LEU 107 HD21 LEU 107 -0.863 7.283 0.262 825 HD22 LEU 107 HD22 LEU 107 -0.894 8.993 0.685 826 HD23 LEU 107 HD23 LEU 107 -1.821 8.412 -0.696 827 H SER 108 HN SER 108 -6.313 5.766 0.043 828 HA SER 108 HA SER 108 -5.845 3.153 -0.696 829 HB2 SER 108 HB2 SER 108 -8.480 4.583 -0.385 830 HB3 SER 108 HB1 SER 108 -8.348 2.841 -0.618 831 HG SER 108 HG SER 108 -7.296 4.395 1.513 832 H ALA 109 HN ALA 109 -6.880 5.752 -2.762 833 HA ALA 109 HA ALA 109 -7.926 4.169 -4.864 834 HB1 ALA 109 HB1 ALA 109 -7.712 6.183 -6.226 835 HB2 ALA 109 HB2 ALA 109 -6.724 6.925 -4.963 836 HB3 ALA 109 HB3 ALA 109 -8.416 6.542 -4.647 837 H LEU 110 HN LEU 110 -4.732 5.633 -4.308 838 HA LEU 110 HA LEU 110 -3.692 4.471 -6.690 839 HB2 LEU 110 HB2 LEU 110 -1.456 5.251 -5.920 840 HB3 LEU 110 HB1 LEU 110 -2.656 6.512 -5.976 841 HG LEU 110 HG LEU 110 -2.851 6.180 -3.424 842 HD11 LEU 110 HD11 LEU 110 -0.867 5.341 -2.295 843 HD12 LEU 110 HD12 LEU 110 -0.184 4.841 -3.842 844 HD13 LEU 110 HD13 LEU 110 -1.654 4.076 -3.237 845 HD21 LEU 110 HD21 LEU 110 -0.325 7.291 -4.620 846 HD22 LEU 110 HD22 LEU 110 -0.965 7.667 -3.020 847 HD23 LEU 110 HD23 LEU 110 -1.867 8.137 -4.461 848 H VAL 111 HN VAL 111 -4.026 3.457 -3.473 849 HA VAL 111 HA VAL 111 -2.226 1.300 -3.512 850 HB VAL 111 HB VAL 111 -4.719 1.798 -1.845 851 HG11 VAL 111 HG11 VAL 111 -3.977 0.019 -0.369 852 HG12 VAL 111 HG12 VAL 111 -2.633 -0.335 -1.449 853 HG13 VAL 111 HG13 VAL 111 -4.290 -0.612 -1.987 854 HG21 VAL 111 HG21 VAL 111 -1.782 1.999 -1.178 855 HG22 VAL 111 HG22 VAL 111 -3.111 2.279 -0.056 856 HG23 VAL 111 HG23 VAL 111 -2.885 3.350 -1.439 857 H SER 112 HN SER 112 -5.748 1.441 -4.101 858 HA SER 112 HA SER 112 -5.971 -1.292 -4.797 859 HB2 SER 112 HB2 SER 112 -7.893 0.084 -4.008 860 HB3 SER 112 HB1 SER 112 -7.835 0.995 -5.516 861 HG SER 112 HG SER 112 -8.780 -0.572 -6.517 862 H GLN 113 HN GLN 113 -5.155 1.558 -6.572 863 HA GLN 113 HA GLN 113 -5.551 0.635 -9.186 864 HB2 GLN 113 HB2 GLN 113 -5.118 3.003 -8.377 865 HB3 GLN 113 HB1 GLN 113 -3.436 2.560 -8.198 866 HG2 GLN 113 HG2 GLN 113 -4.880 2.401 -10.827 867 HG3 GLN 113 HG1 GLN 113 -4.118 3.877 -10.260 868 HE21 GLN 113 HE21 GLN 113 -3.663 0.751 -11.582 869 HE22 GLN 113 HE22 GLN 113 -1.950 0.885 -11.817 870 H HIS 114 HN HIS 114 -2.691 0.560 -7.079 871 HA HIS 114 HA HIS 114 -1.134 -0.862 -9.012 872 HB2 HIS 114 HB2 HIS 114 -0.577 0.002 -6.197 873 HB3 HIS 114 HB1 HIS 114 0.560 -0.984 -7.108 874 HD1 HIS 114 HD1 HIS 114 -0.841 2.481 -6.910 875 HD2 HIS 114 HD2 HIS 114 1.865 0.319 -9.189 876 HE1 HIS 114 HE1 HIS 114 0.437 4.183 -8.280 877 H SER 115 HN SER 115 -3.514 -1.968 -7.086 878 HA SER 115 HA SER 115 -2.367 -4.486 -6.251 879 HB2 SER 115 HB2 SER 115 -5.276 -3.883 -6.786 880 HB3 SER 115 HB1 SER 115 -4.601 -5.073 -5.674 881 HG SER 115 HG SER 115 -3.657 -2.676 -5.009 882 H ILE 116 HN ILE 116 -4.095 -3.197 -8.991 883 HA ILE 116 HA ILE 116 -4.042 -5.806 -10.301 884 HB ILE 116 HB ILE 116 -5.620 -3.309 -10.991 885 HG12 ILE 116 HG12 ILE 116 -6.504 -6.008 -9.931 886 HG13 ILE 116 HG11 ILE 116 -6.410 -4.522 -8.996 887 HG21 ILE 116 HG21 ILE 116 -5.014 -4.513 -13.032 888 HG22 ILE 116 HG22 ILE 116 -6.739 -4.692 -12.697 889 HG23 ILE 116 HG23 ILE 116 -5.629 -6.015 -12.336 890 HD11 ILE 116 HD11 ILE 116 -8.148 -3.538 -10.387 891 HD12 ILE 116 HD12 ILE 116 -8.702 -5.034 -9.633 892 HD13 ILE 116 HD13 ILE 116 -8.238 -5.019 -11.336 893 H SER 117 HN SER 117 -3.367 -2.354 -11.020 894 HA SER 117 HA SER 117 -1.536 -3.322 -13.092 895 HB2 SER 117 HB2 SER 117 -2.745 -0.562 -12.785 896 HB3 SER 117 HB1 SER 117 -1.757 -1.131 -14.128 897 HG SER 117 HG SER 117 -4.331 -1.999 -13.359 898 HA PRO 118 HA PRO 118 1.296 -1.728 -9.923 899 HB2 PRO 118 HB2 PRO 118 3.261 -3.584 -10.967 900 HB3 PRO 118 HB1 PRO 118 2.452 -3.625 -9.399 901 HG2 PRO 118 HG2 PRO 118 2.005 -5.483 -11.352 902 HG3 PRO 118 HG1 PRO 118 0.796 -5.029 -10.140 903 HD2 PRO 118 HD2 PRO 118 1.072 -4.096 -12.972 904 HD3 PRO 118 HD1 PRO 118 -0.382 -4.595 -12.071 905 H ILE 119 HN ILE 119 1.279 0.164 -11.194 906 HA ILE 119 HA ILE 119 2.952 0.420 -13.508 907 HB ILE 119 HB ILE 119 1.485 2.521 -11.895 908 HG12 ILE 119 HG12 ILE 119 0.781 1.177 -14.515 909 HG13 ILE 119 HG11 ILE 119 0.016 0.866 -12.962 910 HG21 ILE 119 HG21 ILE 119 1.796 3.998 -13.831 911 HG22 ILE 119 HG22 ILE 119 2.804 2.778 -14.603 912 HG23 ILE 119 HG23 ILE 119 3.335 3.540 -13.105 913 HD11 ILE 119 HD11 ILE 119 -0.045 3.462 -14.484 914 HD12 ILE 119 HD12 ILE 119 -0.802 3.170 -12.916 915 HD13 ILE 119 HD13 ILE 119 -1.359 2.293 -14.340 916 H SER 120 HN SER 120 3.056 1.862 -10.244 917 HA SER 120 HA SER 120 5.754 2.820 -10.770 918 HB2 SER 120 HB2 SER 120 4.107 3.131 -8.265 919 HB3 SER 120 HB1 SER 120 5.459 4.133 -8.805 920 HG SER 120 HG SER 120 2.825 3.999 -9.746 921 H LEU 121 HN LEU 121 4.230 0.143 -9.449 922 HA LEU 121 HA LEU 121 6.485 -0.454 -7.682 923 HB2 LEU 121 HB2 LEU 121 3.658 -1.506 -7.575 924 HB3 LEU 121 HB1 LEU 121 4.935 -1.859 -6.430 925 HG LEU 121 HG LEU 121 3.622 0.832 -6.851 926 HD11 LEU 121 HD11 LEU 121 2.173 -0.746 -5.728 927 HD12 LEU 121 HD12 LEU 121 2.725 0.502 -4.613 928 HD13 LEU 121 HD13 LEU 121 3.444 -1.108 -4.563 929 HD21 LEU 121 HD21 LEU 121 5.744 0.003 -4.870 930 HD22 LEU 121 HD22 LEU 121 4.897 1.548 -4.882 931 HD23 LEU 121 HD23 LEU 121 5.954 1.117 -6.224 932 HA PRO 122 HA PRO 122 7.186 -3.748 -10.636 933 HB2 PRO 122 HB2 PRO 122 9.060 -5.136 -9.272 934 HB3 PRO 122 HB1 PRO 122 9.400 -3.560 -10.001 935 HG2 PRO 122 HG2 PRO 122 8.734 -4.237 -7.177 936 HG3 PRO 122 HG1 PRO 122 10.010 -3.162 -7.783 937 HD2 PRO 122 HD2 PRO 122 7.637 -2.243 -6.836 938 HD3 PRO 122 HD1 PRO 122 8.526 -1.419 -8.134 939 H CYS 123 HN CYS 123 5.705 -4.101 -7.691 940 HA CYS 123 HA CYS 123 5.014 -6.894 -8.239 941 HB2 CYS 123 HB2 CYS 123 6.582 -6.805 -6.337 942 HB3 CYS 123 HB1 CYS 123 5.528 -5.660 -5.515 943 HG CYS 123 HG CYS 123 3.492 -7.459 -5.049 944 H CYS 124 HN CYS 124 2.861 -7.393 -7.726 945 HA CYS 124 HA CYS 124 1.029 -5.221 -7.906 946 HB2 CYS 124 HB2 CYS 124 0.358 -8.058 -7.107 947 HB3 CYS 124 HB1 CYS 124 -0.666 -6.878 -7.890 948 HG CYS 124 HG CYS 124 1.850 -7.181 -9.879 949 H LEU 125 HN LEU 125 -0.004 -4.244 -6.301 950 HA LEU 125 HA LEU 125 1.098 -4.521 -3.686 951 HB2 LEU 125 HB2 LEU 125 0.458 -2.396 -4.939 952 HB3 LEU 125 HB1 LEU 125 -1.200 -2.783 -4.542 953 HG LEU 125 HG LEU 125 -0.664 -2.604 -2.152 954 HD11 LEU 125 HD11 LEU 125 1.502 -1.638 -1.515 955 HD12 LEU 125 HD12 LEU 125 2.056 -1.804 -3.183 956 HD13 LEU 125 HD13 LEU 125 1.674 -3.237 -2.226 957 HD21 LEU 125 HD21 LEU 125 -1.480 -0.672 -3.389 958 HD22 LEU 125 HD22 LEU 125 0.182 -0.226 -3.793 959 HD23 LEU 125 HD23 LEU 125 -0.356 -0.193 -2.115 960 H ARG 126 HN ARG 126 0.127 -5.390 -1.860 961 HA ARG 126 HA ARG 126 -2.576 -6.450 -2.180 962 HB2 ARG 126 HB2 ARG 126 -0.206 -7.783 -0.889 963 HB3 ARG 126 HB1 ARG 126 -1.858 -8.303 -0.597 964 HG2 ARG 126 HG2 ARG 126 -0.394 -8.304 -3.231 965 HG3 ARG 126 HG1 ARG 126 -0.890 -9.709 -2.276 966 HD2 ARG 126 HD2 ARG 126 -3.260 -8.966 -2.545 967 HD3 ARG 126 HD1 ARG 126 -2.689 -7.699 -3.622 968 HE ARG 126 HE ARG 126 -2.396 -10.551 -4.133 969 HH11 ARG 126 HH11 ARG 126 -2.717 -7.245 -5.390 970 HH12 ARG 126 HH12 ARG 126 -3.383 -7.736 -6.890 971 HH21 ARG 126 HH21 ARG 126 -3.310 -11.196 -6.197 972 HH22 ARG 126 HH22 ARG 126 -3.723 -10.007 -7.350 973 H ILE 127 HN ILE 127 -3.954 -5.729 -0.919 974 HA ILE 127 HA ILE 127 -3.198 -4.057 1.360 975 HB ILE 127 HB ILE 127 -6.012 -4.540 0.338 976 HG12 ILE 127 HG12 ILE 127 -5.695 -2.226 -0.818 977 HG13 ILE 127 HG11 ILE 127 -3.985 -2.614 -0.770 978 HG21 ILE 127 HG21 ILE 127 -4.811 -2.210 1.793 979 HG22 ILE 127 HG22 ILE 127 -5.795 -3.483 2.498 980 HG23 ILE 127 HG23 ILE 127 -6.505 -2.373 1.317 981 HD11 ILE 127 HD11 ILE 127 -4.393 -4.596 -2.134 982 HD12 ILE 127 HD12 ILE 127 -4.985 -3.137 -2.920 983 HD13 ILE 127 HD13 ILE 127 -6.119 -4.236 -2.142 984 HA PRO 128 HA PRO 128 -4.284 -7.438 4.168 985 HB2 PRO 128 HB2 PRO 128 -4.859 -5.233 6.072 986 HB3 PRO 128 HB1 PRO 128 -3.789 -6.621 6.268 987 HG2 PRO 128 HG2 PRO 128 -2.777 -4.184 5.869 988 HG3 PRO 128 HG1 PRO 128 -2.038 -5.612 5.126 989 HD2 PRO 128 HD2 PRO 128 -3.807 -3.538 3.899 990 HD3 PRO 128 HD1 PRO 128 -2.376 -4.341 3.219 991 H SER 129 HN SER 129 -6.124 -4.606 3.647 992 HA SER 129 HA SER 129 -8.595 -5.578 4.734 993 HB2 SER 129 HB2 SER 129 -7.929 -3.165 4.705 994 HB3 SER 129 HB1 SER 129 -8.141 -3.174 2.959 995 HG SER 129 HG SER 129 -10.358 -4.160 3.923 996 H LYS 130 HN LYS 130 -6.952 -6.321 1.910 997 HA LYS 130 HA LYS 130 -9.440 -6.703 0.422 998 HB2 LYS 130 HB2 LYS 130 -7.667 -5.331 -0.718 999 HB3 LYS 130 HB1 LYS 130 -6.580 -6.703 -0.641 1000 HG2 LYS 130 HG2 LYS 130 -9.208 -6.725 -2.153 1001 HG3 LYS 130 HG1 LYS 130 -7.671 -6.269 -2.879 1002 HD2 LYS 130 HD2 LYS 130 -6.789 -8.493 -2.507 1003 HD3 LYS 130 HD1 LYS 130 -8.212 -8.944 -1.576 1004 HE2 LYS 130 HE2 LYS 130 -9.589 -8.624 -3.617 1005 HE3 LYS 130 HE1 LYS 130 -8.111 -8.290 -4.519 1006 HZ1 LYS 130 HZ1 LYS 130 -7.341 -10.501 -4.089 1007 HZ2 LYS 130 HZ2 LYS 130 -8.921 -10.630 -4.682 1008 HZ3 LYS 130 HZ3 LYS 130 -8.612 -10.793 -3.028 1009 H ASP 131 HN ASP 131 -10.195 -8.666 0.491 1010 HA ASP 131 HA ASP 131 -8.355 -10.899 0.962 1011 HB2 ASP 131 HB2 ASP 131 -11.370 -10.781 1.405 1012 HB3 ASP 131 HB1 ASP 131 -10.349 -12.169 1.722 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -24.870 -4.988 26.155 2 H2 MET 1 HT2 MET 1 -24.268 -6.080 24.996 3 H3 MET 1 HT3 MET 1 -25.909 -5.710 25.073 4 HA MET 1 HA MET 1 -23.897 -3.666 24.466 5 HB2 MET 1 HB2 MET 1 -25.783 -5.125 22.570 6 HB3 MET 1 HB1 MET 1 -24.789 -3.750 22.148 7 HG2 MET 1 HG2 MET 1 -23.793 -5.731 21.261 8 HG3 MET 1 HG1 MET 1 -22.778 -5.136 22.570 9 HE1 MET 1 HE1 MET 1 -22.408 -9.077 22.660 10 HE2 MET 1 HE2 MET 1 -21.552 -7.548 22.455 11 HE3 MET 1 HE3 MET 1 -22.688 -8.095 21.223 12 H HIS 2 HN HIS 2 -25.326 -1.895 23.197 13 HA HIS 2 HA HIS 2 -27.903 -1.799 24.530 14 HB2 HIS 2 HB2 HIS 2 -25.953 0.498 24.175 15 HB3 HIS 2 HB1 HIS 2 -27.637 0.713 24.643 16 HD1 HIS 2 HD1 HIS 2 -24.305 0.046 26.075 17 HD2 HIS 2 HD2 HIS 2 -28.273 -0.530 27.191 18 HE1 HIS 2 HE1 HIS 2 -24.289 -0.344 28.551 19 H HIS 3 HN HIS 3 -29.500 -1.659 23.216 20 HA HIS 3 HA HIS 3 -30.800 -1.402 21.411 21 HB2 HIS 3 HB2 HIS 3 -28.595 0.331 20.226 22 HB3 HIS 3 HB1 HIS 3 -30.201 0.142 19.549 23 HD1 HIS 3 HD1 HIS 3 -32.036 1.722 20.491 24 HD2 HIS 3 HD2 HIS 3 -28.471 1.827 22.632 25 HE1 HIS 3 HE1 HIS 3 -32.235 3.637 22.069 26 H HIS 4 HN HIS 4 -31.161 -2.435 19.454 27 HA HIS 4 HA HIS 4 -29.276 -4.490 18.787 28 HB2 HIS 4 HB2 HIS 4 -31.808 -3.593 17.397 29 HB3 HIS 4 HB1 HIS 4 -30.853 -4.975 16.888 30 HD1 HIS 4 HD1 HIS 4 -33.915 -4.886 17.994 31 HD2 HIS 4 HD2 HIS 4 -30.510 -6.236 19.956 32 HE1 HIS 4 HE1 HIS 4 -34.705 -6.540 19.713 33 H HIS 5 HN HIS 5 -28.091 -4.631 16.841 34 HA HIS 5 HA HIS 5 -27.249 -2.094 15.922 35 HB2 HIS 5 HB2 HIS 5 -25.784 -3.292 14.309 36 HB3 HIS 5 HB1 HIS 5 -25.599 -3.902 15.938 37 HD1 HIS 5 HD1 HIS 5 -26.944 -4.899 12.557 38 HD2 HIS 5 HD2 HIS 5 -26.212 -6.555 16.285 39 HE1 HIS 5 HE1 HIS 5 -27.182 -7.367 12.268 40 H HIS 6 HN HIS 6 -28.118 -0.901 14.546 41 HA HIS 6 HA HIS 6 -30.387 -1.776 12.993 42 HB2 HIS 6 HB2 HIS 6 -28.997 0.923 13.109 43 HB3 HIS 6 HB1 HIS 6 -30.546 0.608 12.340 44 HD1 HIS 6 HD1 HIS 6 -29.080 1.622 15.566 45 HD2 HIS 6 HD2 HIS 6 -32.610 -0.168 14.274 46 HE1 HIS 6 HE1 HIS 6 -30.716 1.853 17.448 47 H HIS 7 HN HIS 7 -27.092 -1.327 12.704 48 HA HIS 7 HA HIS 7 -25.537 -1.792 11.216 49 HB2 HIS 7 HB2 HIS 7 -26.851 -3.803 10.576 50 HB3 HIS 7 HB1 HIS 7 -27.731 -2.843 9.394 51 HD1 HIS 7 HD1 HIS 7 -24.529 -4.703 9.872 52 HD2 HIS 7 HD2 HIS 7 -26.209 -2.074 7.126 53 HE1 HIS 7 HE1 HIS 7 -23.077 -4.798 7.836 54 H SER 8 HN SER 8 -24.518 -0.210 10.464 55 HA SER 8 HA SER 8 -23.850 1.544 9.285 56 HB2 SER 8 HB2 SER 8 -26.191 0.902 7.478 57 HB3 SER 8 HB1 SER 8 -24.942 2.098 7.119 58 HG SER 8 HG SER 8 -24.783 -0.689 7.211 59 H SER 9 HN SER 9 -23.934 3.209 10.562 60 HA SER 9 HA SER 9 -26.245 4.328 11.680 61 HB2 SER 9 HB2 SER 9 -23.570 5.670 11.279 62 HB3 SER 9 HB1 SER 9 -24.743 5.968 12.560 63 HG SER 9 HG SER 9 -22.776 4.121 12.413 64 H GLY 10 HN GLY 10 -24.096 5.362 9.047 65 HA2 GLY 10 HA2 GLY 10 -26.321 6.918 7.908 66 HA3 GLY 10 HA1 GLY 10 -24.693 7.584 8.004 67 H LEU 11 HN LEU 11 -26.271 4.614 6.979 68 HA LEU 11 HA LEU 11 -26.152 3.289 5.180 69 HB2 LEU 11 HB2 LEU 11 -24.676 5.542 3.813 70 HB3 LEU 11 HB1 LEU 11 -25.290 4.113 3.012 71 HG LEU 11 HG LEU 11 -26.953 6.253 4.335 72 HD11 LEU 11 HD11 LEU 11 -25.978 6.992 2.266 73 HD12 LEU 11 HD12 LEU 11 -27.708 6.701 2.052 74 HD13 LEU 11 HD13 LEU 11 -26.533 5.533 1.451 75 HD21 LEU 11 HD21 LEU 11 -28.037 4.089 4.567 76 HD22 LEU 11 HD22 LEU 11 -27.803 3.764 2.849 77 HD23 LEU 11 HD23 LEU 11 -28.878 5.064 3.362 78 H VAL 12 HN VAL 12 -23.395 4.432 6.630 79 HA VAL 12 HA VAL 12 -22.042 1.919 6.064 80 HB VAL 12 HB VAL 12 -19.832 3.143 6.325 81 HG11 VAL 12 HG11 VAL 12 -20.628 2.601 4.084 82 HG12 VAL 12 HG12 VAL 12 -19.768 4.140 4.089 83 HG13 VAL 12 HG13 VAL 12 -21.531 4.115 4.032 84 HG21 VAL 12 HG21 VAL 12 -21.541 5.628 6.084 85 HG22 VAL 12 HG22 VAL 12 -19.778 5.592 6.048 86 HG23 VAL 12 HG23 VAL 12 -20.637 5.120 7.510 87 HA PRO 13 HA PRO 13 -22.266 1.380 10.501 88 HB2 PRO 13 HB2 PRO 13 -19.366 0.654 10.357 89 HB3 PRO 13 HB1 PRO 13 -20.695 -0.228 11.106 90 HG2 PRO 13 HG2 PRO 13 -19.729 -1.062 8.786 91 HG3 PRO 13 HG1 PRO 13 -21.479 -1.050 9.074 92 HD2 PRO 13 HD2 PRO 13 -19.815 0.848 7.469 93 HD3 PRO 13 HD1 PRO 13 -21.438 0.201 7.131 94 H ARG 14 HN ARG 14 -18.936 2.445 9.865 95 HA ARG 14 HA ARG 14 -19.605 4.960 11.179 96 HB2 ARG 14 HB2 ARG 14 -16.961 3.487 11.437 97 HB3 ARG 14 HB1 ARG 14 -17.268 5.106 12.029 98 HG2 ARG 14 HG2 ARG 14 -18.998 4.146 13.544 99 HG3 ARG 14 HG1 ARG 14 -18.484 2.539 13.022 100 HD2 ARG 14 HD2 ARG 14 -16.759 4.624 14.360 101 HD3 ARG 14 HD1 ARG 14 -17.387 3.162 15.113 102 HE ARG 14 HE ARG 14 -16.016 1.910 13.500 103 HH11 ARG 14 HH11 ARG 14 -15.064 5.278 14.209 104 HH12 ARG 14 HH12 ARG 14 -13.442 5.018 13.808 105 HH21 ARG 14 HH21 ARG 14 -13.725 1.605 13.027 106 HH22 ARG 14 HH22 ARG 14 -12.670 2.935 13.156 107 H GLY 15 HN GLY 15 -16.749 3.696 9.557 108 HA2 GLY 15 HA2 GLY 15 -17.349 5.397 7.247 109 HA3 GLY 15 HA1 GLY 15 -15.826 5.617 8.114 110 H SER 16 HN SER 16 -15.958 2.647 8.635 111 HA SER 16 HA SER 16 -14.763 0.985 8.013 112 HB2 SER 16 HB2 SER 16 -15.210 0.027 5.621 113 HB3 SER 16 HB1 SER 16 -16.551 0.102 6.756 114 HG SER 16 HG SER 16 -16.210 2.349 5.228 115 H ASP 17 HN ASP 17 -13.086 2.227 8.492 116 HA ASP 17 HA ASP 17 -11.472 3.489 6.513 117 HB2 ASP 17 HB2 ASP 17 -10.941 2.762 9.391 118 HB3 ASP 17 HB1 ASP 17 -9.713 3.505 8.376 119 H THR 18 HN THR 18 -10.651 2.210 4.981 120 HA THR 18 HA THR 18 -9.650 -0.358 5.714 121 HB THR 18 HB THR 18 -9.136 -0.461 3.220 122 HG1 THR 18 HG1 THR 18 -9.969 1.170 1.978 123 HG21 THR 18 HG21 THR 18 -11.951 0.136 4.131 124 HG22 THR 18 HG22 THR 18 -11.160 -1.437 4.166 125 HG23 THR 18 HG23 THR 18 -11.530 -0.669 2.619 126 H SER 19 HN SER 19 -8.573 2.690 5.356 127 HA SER 19 HA SER 19 -5.884 2.284 4.589 128 HB2 SER 19 HB2 SER 19 -7.013 4.609 6.141 129 HB3 SER 19 HB1 SER 19 -5.548 4.597 5.156 130 HG SER 19 HG SER 19 -8.063 5.026 4.422 131 H LYS 20 HN LYS 20 -7.496 2.159 7.672 132 HA LYS 20 HA LYS 20 -5.338 2.605 9.424 133 HB2 LYS 20 HB2 LYS 20 -6.658 1.582 11.119 134 HB3 LYS 20 HB1 LYS 20 -7.649 2.632 10.117 135 HG2 LYS 20 HG2 LYS 20 -8.519 0.718 8.943 136 HG3 LYS 20 HG1 LYS 20 -7.494 -0.352 9.904 137 HD2 LYS 20 HD2 LYS 20 -8.495 0.512 11.883 138 HD3 LYS 20 HD1 LYS 20 -9.575 1.502 10.894 139 HE2 LYS 20 HE2 LYS 20 -10.463 -0.531 9.812 140 HE3 LYS 20 HE1 LYS 20 -9.400 -1.521 10.803 141 HZ1 LYS 20 HZ1 LYS 20 -11.688 0.123 11.761 142 HZ2 LYS 20 HZ2 LYS 20 -10.597 -0.656 12.756 143 HZ3 LYS 20 HZ3 LYS 20 -11.576 -1.569 11.727 144 H PHE 21 HN PHE 21 -6.091 -0.149 7.510 145 HA PHE 21 HA PHE 21 -4.747 -2.042 9.154 146 HB2 PHE 21 HB2 PHE 21 -5.737 -2.225 6.319 147 HB3 PHE 21 HB1 PHE 21 -5.003 -3.570 7.172 148 HD1 PHE 21 HD2 PHE 21 -6.166 -4.612 9.069 149 HD2 PHE 21 HD1 PHE 21 -7.971 -1.525 6.768 150 HE1 PHE 21 HE2 PHE 21 -8.369 -5.234 9.973 151 HE2 PHE 21 HE1 PHE 21 -10.178 -2.137 7.671 152 HZ PHE 21 HZ PHE 21 -10.377 -3.997 9.270 153 H TRP 22 HN TRP 22 -3.831 0.083 6.550 154 HA TRP 22 HA TRP 22 -1.188 -1.156 6.632 155 HB2 TRP 22 HB2 TRP 22 -0.845 -0.194 4.287 156 HB3 TRP 22 HB1 TRP 22 -1.881 -1.595 4.459 157 HD1 TRP 22 HD1 TRP 22 -4.229 -1.437 3.455 158 HE1 TRP 22 HE1 TRP 22 -5.599 0.386 2.285 159 HE3 TRP 22 HE3 TRP 22 -1.240 2.659 4.427 160 HZ2 TRP 22 HZ2 TRP 22 -5.465 3.151 1.831 161 HZ3 TRP 22 HZ3 TRP 22 -1.967 4.823 3.580 162 HH2 TRP 22 HH2 TRP 22 -4.029 5.073 2.318 163 H TYR 23 HN TYR 23 -2.870 1.734 7.200 164 HA TYR 23 HA TYR 23 -0.445 3.285 6.933 165 HB2 TYR 23 HB2 TYR 23 -2.627 4.204 6.131 166 HB3 TYR 23 HB1 TYR 23 -3.185 4.217 7.804 167 HD1 TYR 23 HD1 TYR 23 -0.748 5.636 5.459 168 HD2 TYR 23 HD2 TYR 23 -2.500 5.942 9.303 169 HE1 TYR 23 HE1 TYR 23 0.324 7.780 5.742 170 HE2 TYR 23 HE2 TYR 23 -1.433 8.132 9.628 171 HH TYR 23 HH TYR 23 -0.129 9.869 7.145 172 H LYS 24 HN LYS 24 0.880 3.438 8.493 173 HA LYS 24 HA LYS 24 -0.039 4.112 11.072 174 HB2 LYS 24 HB2 LYS 24 1.484 2.499 12.313 175 HB3 LYS 24 HB1 LYS 24 0.008 1.817 11.664 176 HG2 LYS 24 HG2 LYS 24 2.731 1.538 10.409 177 HG3 LYS 24 HG1 LYS 24 2.071 0.393 11.567 178 HD2 LYS 24 HD2 LYS 24 0.055 0.388 9.850 179 HD3 LYS 24 HD1 LYS 24 1.319 0.908 8.738 180 HE2 LYS 24 HE2 LYS 24 1.196 -1.484 8.641 181 HE3 LYS 24 HE1 LYS 24 2.680 -1.042 9.489 182 HZ1 LYS 24 HZ1 LYS 24 0.144 -1.860 10.776 183 HZ2 LYS 24 HZ2 LYS 24 1.560 -1.493 11.610 184 HZ3 LYS 24 HZ3 LYS 24 1.485 -2.850 10.621 185 HA PRO 25 HA PRO 25 3.343 6.658 9.913 186 HB2 PRO 25 HB2 PRO 25 2.609 8.817 11.277 187 HB3 PRO 25 HB1 PRO 25 1.706 8.287 9.855 188 HG2 PRO 25 HG2 PRO 25 1.082 7.873 12.752 189 HG3 PRO 25 HG1 PRO 25 -0.005 8.354 11.437 190 HD2 PRO 25 HD2 PRO 25 0.202 5.796 12.390 191 HD3 PRO 25 HD1 PRO 25 -0.304 6.198 10.738 192 H HIS 26 HN HIS 26 2.733 5.257 12.841 193 HA HIS 26 HA HIS 26 4.777 6.664 14.353 194 HB2 HIS 26 HB2 HIS 26 2.640 6.175 15.424 195 HB3 HIS 26 HB1 HIS 26 2.845 4.460 15.118 196 HD1 HIS 26 HD1 HIS 26 3.490 3.255 17.198 197 HD2 HIS 26 HD2 HIS 26 4.990 7.129 17.125 198 HE1 HIS 26 HE1 HIS 26 4.702 3.580 19.384 199 H LEU 27 HN LEU 27 4.618 4.014 12.263 200 HA LEU 27 HA LEU 27 6.575 2.441 13.715 201 HB2 LEU 27 HB2 LEU 27 4.610 1.507 12.343 202 HB3 LEU 27 HB1 LEU 27 5.536 1.961 10.927 203 HG LEU 27 HG LEU 27 7.336 0.406 11.633 204 HD11 LEU 27 HD11 LEU 27 6.841 -1.217 13.414 205 HD12 LEU 27 HD12 LEU 27 5.378 -0.311 13.812 206 HD13 LEU 27 HD13 LEU 27 6.966 0.427 14.033 207 HD21 LEU 27 HD21 LEU 27 6.091 -1.662 11.163 208 HD22 LEU 27 HD22 LEU 27 5.636 -0.343 10.090 209 HD23 LEU 27 HD23 LEU 27 4.579 -0.784 11.426 210 H SER 28 HN SER 28 8.718 2.643 13.367 211 HA SER 28 HA SER 28 9.588 4.842 11.749 212 HB2 SER 28 HB2 SER 28 11.200 2.893 13.411 213 HB3 SER 28 HB1 SER 28 11.746 4.453 12.786 214 HG SER 28 HG SER 28 9.464 4.820 14.114 215 H ARG 29 HN ARG 29 11.824 4.426 10.542 216 HA ARG 29 HA ARG 29 11.165 3.169 8.126 217 HB2 ARG 29 HB2 ARG 29 12.795 5.032 8.417 218 HB3 ARG 29 HB1 ARG 29 13.906 3.907 9.173 219 HG2 ARG 29 HG2 ARG 29 14.652 4.200 6.966 220 HG3 ARG 29 HG1 ARG 29 13.881 2.614 7.014 221 HD2 ARG 29 HD2 ARG 29 13.233 3.788 5.010 222 HD3 ARG 29 HD1 ARG 29 11.836 3.605 6.065 223 HE ARG 29 HE ARG 29 12.826 6.054 6.726 224 HH11 ARG 29 HH11 ARG 29 11.888 4.619 3.641 225 HH12 ARG 29 HH12 ARG 29 11.429 6.098 2.928 226 HH21 ARG 29 HH21 ARG 29 12.176 8.084 5.771 227 HH22 ARG 29 HH22 ARG 29 11.567 8.132 4.192 228 H ASP 30 HN ASP 30 13.487 2.209 10.628 229 HA ASP 30 HA ASP 30 14.284 -0.213 9.386 230 HB2 ASP 30 HB2 ASP 30 15.455 -0.688 11.485 231 HB3 ASP 30 HB1 ASP 30 15.709 0.984 11.009 232 H GLN 31 HN GLN 31 11.782 0.626 11.573 233 HA GLN 31 HA GLN 31 11.158 -2.032 12.453 234 HB2 GLN 31 HB2 GLN 31 9.500 0.483 12.575 235 HB3 GLN 31 HB1 GLN 31 9.194 -1.001 13.466 236 HG2 GLN 31 HG2 GLN 31 11.269 -0.711 14.679 237 HG3 GLN 31 HG1 GLN 31 11.622 0.747 13.760 238 HE21 GLN 31 HE21 GLN 31 11.312 0.403 16.593 239 HE22 GLN 31 HE22 GLN 31 10.063 1.488 17.087 240 H ALA 32 HN ALA 32 9.988 0.176 9.997 241 HA ALA 32 HA ALA 32 7.740 -1.263 9.137 242 HB1 ALA 32 HB1 ALA 32 7.916 0.112 7.112 243 HB2 ALA 32 HB2 ALA 32 9.567 0.546 7.567 244 HB3 ALA 32 HB3 ALA 32 8.217 1.083 8.564 245 H ILE 33 HN ILE 33 11.095 -1.308 8.199 246 HA ILE 33 HA ILE 33 10.908 -3.208 6.132 247 HB ILE 33 HB ILE 33 13.250 -2.475 7.915 248 HG12 ILE 33 HG12 ILE 33 12.574 -1.521 5.132 249 HG13 ILE 33 HG11 ILE 33 12.160 -0.640 6.597 250 HG21 ILE 33 HG21 ILE 33 14.680 -3.393 6.133 251 HG22 ILE 33 HG22 ILE 33 13.246 -3.901 5.242 252 HG23 ILE 33 HG23 ILE 33 13.621 -4.637 6.802 253 HD11 ILE 33 HD11 ILE 33 14.123 0.278 5.610 254 HD12 ILE 33 HD12 ILE 33 14.900 -1.311 5.598 255 HD13 ILE 33 HD13 ILE 33 14.539 -0.512 7.139 256 H ALA 34 HN ALA 34 11.658 -3.435 9.566 257 HA ALA 34 HA ALA 34 12.079 -6.195 9.781 258 HB1 ALA 34 HB1 ALA 34 12.541 -4.552 11.592 259 HB2 ALA 34 HB2 ALA 34 11.670 -6.002 12.099 260 HB3 ALA 34 HB3 ALA 34 10.785 -4.493 11.889 261 H LEU 35 HN LEU 35 9.177 -4.361 9.635 262 HA LEU 35 HA LEU 35 7.399 -6.425 10.459 263 HB2 LEU 35 HB2 LEU 35 7.193 -3.783 10.346 264 HB3 LEU 35 HB1 LEU 35 6.598 -4.109 8.737 265 HG LEU 35 HG LEU 35 4.794 -3.750 10.363 266 HD11 LEU 35 HD11 LEU 35 4.903 -6.576 9.341 267 HD12 LEU 35 HD12 LEU 35 4.306 -5.169 8.463 268 HD13 LEU 35 HD13 LEU 35 3.452 -5.741 9.897 269 HD21 LEU 35 HD21 LEU 35 6.004 -4.587 12.307 270 HD22 LEU 35 HD22 LEU 35 5.841 -6.232 11.707 271 HD23 LEU 35 HD23 LEU 35 4.403 -5.312 12.159 272 H LEU 36 HN LEU 36 8.454 -5.057 7.382 273 HA LEU 36 HA LEU 36 6.807 -6.767 5.833 274 HB2 LEU 36 HB2 LEU 36 9.027 -4.934 5.102 275 HB3 LEU 36 HB1 LEU 36 8.173 -5.890 3.916 276 HG LEU 36 HG LEU 36 7.021 -3.730 5.683 277 HD11 LEU 36 HD11 LEU 36 7.485 -3.900 2.729 278 HD12 LEU 36 HD12 LEU 36 8.334 -2.880 3.895 279 HD13 LEU 36 HD13 LEU 36 6.626 -2.604 3.556 280 HD21 LEU 36 HD21 LEU 36 4.956 -4.038 4.392 281 HD22 LEU 36 HD22 LEU 36 5.328 -5.430 5.395 282 HD23 LEU 36 HD23 LEU 36 5.636 -5.489 3.653 283 H LYS 37 HN LYS 37 10.047 -7.086 7.015 284 HA LYS 37 HA LYS 37 10.684 -9.192 5.208 285 HB2 LYS 37 HB2 LYS 37 12.552 -9.748 6.753 286 HB3 LYS 37 HB1 LYS 37 12.511 -8.060 6.272 287 HG2 LYS 37 HG2 LYS 37 11.464 -7.505 8.409 288 HG3 LYS 37 HG1 LYS 37 11.603 -9.194 8.892 289 HD2 LYS 37 HD2 LYS 37 13.979 -7.511 8.087 290 HD3 LYS 37 HD1 LYS 37 13.432 -7.653 9.751 291 HE2 LYS 37 HE2 LYS 37 14.221 -9.958 8.007 292 HE3 LYS 37 HE1 LYS 37 15.295 -9.192 9.174 293 HZ1 LYS 37 HZ1 LYS 37 13.688 -9.802 10.920 294 HZ2 LYS 37 HZ2 LYS 37 14.314 -11.137 10.134 295 HZ3 LYS 37 HZ3 LYS 37 12.754 -10.632 9.788 296 H ASP 38 HN ASP 38 8.752 -8.977 7.947 297 HA ASP 38 HA ASP 38 8.662 -11.831 8.461 298 HB2 ASP 38 HB2 ASP 38 8.510 -10.274 10.356 299 HB3 ASP 38 HB1 ASP 38 7.139 -9.468 9.612 300 H LYS 39 HN LYS 39 7.420 -9.660 6.283 301 HA LYS 39 HA LYS 39 5.007 -11.196 5.991 302 HB2 LYS 39 HB2 LYS 39 5.426 -8.302 5.635 303 HB3 LYS 39 HB1 LYS 39 4.269 -9.090 4.584 304 HG2 LYS 39 HG2 LYS 39 4.162 -9.289 7.584 305 HG3 LYS 39 HG1 LYS 39 3.352 -8.012 6.679 306 HD2 LYS 39 HD2 LYS 39 1.616 -9.537 6.865 307 HD3 LYS 39 HD1 LYS 39 2.317 -10.052 5.344 308 HE2 LYS 39 HE2 LYS 39 3.569 -11.891 6.683 309 HE3 LYS 39 HE1 LYS 39 2.629 -11.327 8.056 310 HZ1 LYS 39 HZ1 LYS 39 1.652 -13.249 6.955 311 HZ2 LYS 39 HZ2 LYS 39 1.568 -12.388 5.524 312 HZ3 LYS 39 HZ3 LYS 39 0.633 -11.897 6.857 313 H ASP 40 HN ASP 40 3.973 -11.133 3.921 314 HA ASP 40 HA ASP 40 5.543 -12.669 2.132 315 HB2 ASP 40 HB2 ASP 40 2.784 -11.576 1.612 316 HB3 ASP 40 HB1 ASP 40 3.469 -13.110 1.099 317 HA PRO 41 HA PRO 41 6.512 -9.329 -0.751 318 HB2 PRO 41 HB2 PRO 41 6.160 -10.743 -3.117 319 HB3 PRO 41 HB1 PRO 41 7.658 -10.735 -2.185 320 HG2 PRO 41 HG2 PRO 41 5.478 -12.767 -2.260 321 HG3 PRO 41 HG1 PRO 41 7.230 -13.004 -2.120 322 HD2 PRO 41 HD2 PRO 41 5.574 -13.222 -0.003 323 HD3 PRO 41 HD1 PRO 41 7.228 -12.591 0.158 324 H GLY 42 HN GLY 42 5.198 -7.791 -1.500 325 HA2 GLY 42 HA2 GLY 42 3.319 -7.105 -2.852 326 HA3 GLY 42 HA1 GLY 42 2.483 -8.567 -2.339 327 H ALA 43 HN ALA 43 3.817 -7.913 0.398 328 HA ALA 43 HA ALA 43 1.553 -6.483 1.445 329 HB1 ALA 43 HB1 ALA 43 2.621 -6.824 3.639 330 HB2 ALA 43 HB2 ALA 43 4.067 -7.440 2.841 331 HB3 ALA 43 HB3 ALA 43 2.555 -8.335 2.733 332 H PHE 44 HN PHE 44 1.718 -4.475 2.623 333 HA PHE 44 HA PHE 44 4.032 -2.821 2.152 334 HB2 PHE 44 HB2 PHE 44 2.832 -1.184 0.846 335 HB3 PHE 44 HB1 PHE 44 2.804 -2.727 0.006 336 HD1 PHE 44 HD2 PHE 44 0.674 -4.122 0.139 337 HD2 PHE 44 HD1 PHE 44 0.844 -0.054 1.371 338 HE1 PHE 44 HE2 PHE 44 -1.768 -3.975 -0.013 339 HE2 PHE 44 HE1 PHE 44 -1.597 0.094 1.220 340 HZ PHE 44 HZ PHE 44 -2.908 -1.864 0.529 341 H LEU 45 HN LEU 45 3.719 -0.739 3.157 342 HA LEU 45 HA LEU 45 1.331 -0.246 4.677 343 HB2 LEU 45 HB2 LEU 45 2.386 0.148 6.794 344 HB3 LEU 45 HB1 LEU 45 2.776 -1.487 6.315 345 HG LEU 45 HG LEU 45 4.742 0.733 5.805 346 HD11 LEU 45 HD11 LEU 45 5.743 0.281 7.958 347 HD12 LEU 45 HD12 LEU 45 4.454 -0.860 8.336 348 HD13 LEU 45 HD13 LEU 45 4.087 0.861 8.172 349 HD21 LEU 45 HD21 LEU 45 5.031 -2.199 6.404 350 HD22 LEU 45 HD22 LEU 45 6.333 -1.065 6.043 351 HD23 LEU 45 HD23 LEU 45 5.131 -1.453 4.806 352 H ILE 46 HN ILE 46 1.305 1.966 5.402 353 HA ILE 46 HA ILE 46 3.294 3.636 4.067 354 HB ILE 46 HB ILE 46 0.291 4.144 4.109 355 HG12 ILE 46 HG12 ILE 46 2.212 3.651 1.826 356 HG13 ILE 46 HG11 ILE 46 0.982 2.539 2.399 357 HG21 ILE 46 HG21 ILE 46 2.503 5.891 3.029 358 HG22 ILE 46 HG22 ILE 46 1.514 6.231 4.452 359 HG23 ILE 46 HG23 ILE 46 0.777 6.198 2.850 360 HD11 ILE 46 HD11 ILE 46 -0.761 4.056 1.623 361 HD12 ILE 46 HD12 ILE 46 0.373 3.662 0.322 362 HD13 ILE 46 HD13 ILE 46 0.465 5.223 1.133 363 H ARG 47 HN ARG 47 4.142 5.120 5.306 364 HA ARG 47 HA ARG 47 2.724 5.901 7.753 365 HB2 ARG 47 HB2 ARG 47 4.914 6.122 8.910 366 HB3 ARG 47 HB1 ARG 47 4.613 4.466 8.391 367 HG2 ARG 47 HG2 ARG 47 6.308 4.482 6.918 368 HG3 ARG 47 HG1 ARG 47 6.178 6.228 6.606 369 HD2 ARG 47 HD2 ARG 47 7.166 5.017 9.188 370 HD3 ARG 47 HD1 ARG 47 8.230 5.539 7.879 371 HE ARG 47 HE ARG 47 7.003 7.781 8.211 372 HH11 ARG 47 HH11 ARG 47 7.667 5.621 10.914 373 HH12 ARG 47 HH12 ARG 47 7.933 6.880 12.033 374 HH21 ARG 47 HH21 ARG 47 7.345 9.472 9.700 375 HH22 ARG 47 HH22 ARG 47 7.794 9.146 11.324 376 H ASP 48 HN ASP 48 3.080 8.122 8.337 377 HA ASP 48 HA ASP 48 3.415 9.986 6.265 378 HB2 ASP 48 HB2 ASP 48 2.296 10.652 8.295 379 HB3 ASP 48 HB1 ASP 48 3.715 10.271 9.262 380 H SER 49 HN SER 49 5.223 10.798 5.309 381 HA SER 49 HA SER 49 7.750 9.736 6.157 382 HB2 SER 49 HB2 SER 49 7.229 10.001 3.719 383 HB3 SER 49 HB1 SER 49 7.123 11.743 3.954 384 HG SER 49 HG SER 49 9.316 10.095 3.773 385 H HIS 50 HN HIS 50 8.903 10.660 7.663 386 HA HIS 50 HA HIS 50 8.188 13.317 8.575 387 HB2 HIS 50 HB2 HIS 50 8.876 11.124 9.881 388 HB3 HIS 50 HB1 HIS 50 10.481 11.747 9.623 389 HD1 HIS 50 HD1 HIS 50 7.287 12.797 11.439 390 HD2 HIS 50 HD2 HIS 50 11.296 13.851 11.151 391 HE1 HIS 50 HE1 HIS 50 7.694 14.444 13.258 392 H SER 51 HN SER 51 10.375 11.650 6.676 393 HA SER 51 HA SER 51 12.658 13.184 6.546 394 HB2 SER 51 HB2 SER 51 11.187 11.540 4.533 395 HB3 SER 51 HB1 SER 51 12.926 11.937 4.428 396 HG SER 51 HG SER 51 13.040 10.823 6.507 397 H PHE 52 HN PHE 52 9.680 13.232 4.520 398 HA PHE 52 HA PHE 52 10.351 15.975 3.765 399 HB2 PHE 52 HB2 PHE 52 9.065 13.887 2.012 400 HB3 PHE 52 HB1 PHE 52 9.272 15.571 1.585 401 HD1 PHE 52 HD2 PHE 52 11.520 16.494 1.238 402 HD2 PHE 52 HD1 PHE 52 10.854 12.347 1.808 403 HE1 PHE 52 HE2 PHE 52 13.750 16.016 0.297 404 HE2 PHE 52 HE1 PHE 52 13.054 11.840 0.891 405 HZ PHE 52 HZ PHE 52 14.529 13.684 0.120 406 H GLN 53 HN GLN 53 8.773 17.357 3.951 407 HA GLN 53 HA GLN 53 6.463 16.470 5.425 408 HB2 GLN 53 HB2 GLN 53 7.330 19.257 4.670 409 HB3 GLN 53 HB1 GLN 53 6.004 18.860 5.763 410 HG2 GLN 53 HG2 GLN 53 7.626 17.689 7.212 411 HG3 GLN 53 HG1 GLN 53 8.915 18.244 6.149 412 HE21 GLN 53 HE21 GLN 53 8.388 18.750 8.969 413 HE22 GLN 53 HE22 GLN 53 8.353 20.467 9.139 414 H GLY 54 HN GLY 54 4.619 16.041 4.599 415 HA2 GLY 54 HA2 GLY 54 2.716 16.447 3.236 416 HA3 GLY 54 HA1 GLY 54 3.748 17.338 2.112 417 H ALA 55 HN ALA 55 4.826 14.345 3.417 418 HA ALA 55 HA ALA 55 4.144 12.965 0.948 419 HB1 ALA 55 HB1 ALA 55 6.432 13.801 0.685 420 HB2 ALA 55 HB2 ALA 55 6.424 12.045 0.819 421 HB3 ALA 55 HB3 ALA 55 6.897 13.031 2.199 422 H TYR 56 HN TYR 56 4.032 10.770 1.166 423 HA TYR 56 HA TYR 56 4.048 9.682 3.912 424 HB2 TYR 56 HB2 TYR 56 2.333 8.820 1.566 425 HB3 TYR 56 HB1 TYR 56 2.295 8.149 3.188 426 HD1 TYR 56 HD2 TYR 56 1.339 9.477 5.044 427 HD2 TYR 56 HD1 TYR 56 1.184 10.832 1.022 428 HE1 TYR 56 HE2 TYR 56 -0.432 11.067 5.652 429 HE2 TYR 56 HE1 TYR 56 -0.583 12.423 1.617 430 HH TYR 56 HH TYR 56 -2.258 12.691 3.280 431 H GLY 57 HN GLY 57 5.220 7.796 4.123 432 HA2 GLY 57 HA2 GLY 57 6.714 7.072 1.718 433 HA3 GLY 57 HA1 GLY 57 7.272 6.787 3.353 434 H LEU 58 HN LEU 58 5.899 5.432 0.685 435 HA LEU 58 HA LEU 58 4.414 3.340 2.009 436 HB2 LEU 58 HB2 LEU 58 3.556 4.139 -0.098 437 HB3 LEU 58 HB1 LEU 58 5.115 3.944 -0.864 438 HG LEU 58 HG LEU 58 4.869 1.466 -0.556 439 HD11 LEU 58 HD11 LEU 58 2.068 2.152 0.208 440 HD12 LEU 58 HD12 LEU 58 3.284 1.355 1.213 441 HD13 LEU 58 HD13 LEU 58 2.650 0.551 -0.226 442 HD21 LEU 58 HD21 LEU 58 3.340 1.158 -2.395 443 HD22 LEU 58 HD22 LEU 58 4.443 2.507 -2.691 444 HD23 LEU 58 HD23 LEU 58 2.764 2.817 -2.217 445 H ALA 59 HN ALA 59 5.279 1.489 2.549 446 HA ALA 59 HA ALA 59 7.938 0.818 1.525 447 HB1 ALA 59 HB1 ALA 59 7.917 1.184 3.950 448 HB2 ALA 59 HB2 ALA 59 8.205 -0.520 3.580 449 HB3 ALA 59 HB3 ALA 59 6.615 0.006 4.119 450 H LEU 60 HN LEU 60 7.902 -0.778 0.160 451 HA LEU 60 HA LEU 60 5.622 -2.654 0.143 452 HB2 LEU 60 HB2 LEU 60 5.600 -1.269 -1.811 453 HB3 LEU 60 HB1 LEU 60 7.300 -1.549 -2.101 454 HG LEU 60 HG LEU 60 6.760 -3.947 -2.567 455 HD11 LEU 60 HD11 LEU 60 4.453 -4.550 -3.077 456 HD12 LEU 60 HD12 LEU 60 3.912 -2.990 -2.458 457 HD13 LEU 60 HD13 LEU 60 4.679 -4.153 -1.374 458 HD21 LEU 60 HD21 LEU 60 5.411 -1.886 -4.304 459 HD22 LEU 60 HD22 LEU 60 5.853 -3.523 -4.805 460 HD23 LEU 60 HD23 LEU 60 7.108 -2.363 -4.368 461 H LYS 61 HN LYS 61 6.114 -4.726 0.451 462 HA LYS 61 HA LYS 61 8.879 -5.580 0.536 463 HB2 LYS 61 HB2 LYS 61 7.334 -6.328 2.298 464 HB3 LYS 61 HB1 LYS 61 6.302 -7.053 1.096 465 HG2 LYS 61 HG2 LYS 61 7.652 -8.737 2.270 466 HG3 LYS 61 HG1 LYS 61 8.004 -8.700 0.541 467 HD2 LYS 61 HD2 LYS 61 10.018 -7.378 1.001 468 HD3 LYS 61 HD1 LYS 61 9.646 -7.414 2.725 469 HE2 LYS 61 HE2 LYS 61 10.217 -9.808 0.975 470 HE3 LYS 61 HE1 LYS 61 11.329 -9.091 2.136 471 HZ1 LYS 61 HZ1 LYS 61 10.358 -10.929 3.190 472 HZ2 LYS 61 HZ2 LYS 61 8.799 -10.549 2.708 473 HZ3 LYS 61 HZ3 LYS 61 9.551 -9.600 3.859 474 H VAL 62 HN VAL 62 9.812 -6.204 -1.289 475 HA VAL 62 HA VAL 62 8.179 -7.579 -3.293 476 HB VAL 62 HB VAL 62 9.885 -7.070 -4.955 477 HG11 VAL 62 HG11 VAL 62 8.192 -5.394 -4.678 478 HG12 VAL 62 HG12 VAL 62 9.730 -4.633 -5.084 479 HG13 VAL 62 HG13 VAL 62 9.142 -4.597 -3.422 480 HG21 VAL 62 HG21 VAL 62 11.897 -7.160 -3.566 481 HG22 VAL 62 HG22 VAL 62 11.425 -5.663 -2.763 482 HG23 VAL 62 HG23 VAL 62 11.836 -5.651 -4.478 483 H ALA 63 HN ALA 63 9.572 -9.274 -4.501 484 HA ALA 63 HA ALA 63 10.393 -11.167 -2.537 485 HB1 ALA 63 HB1 ALA 63 10.664 -11.264 -5.547 486 HB2 ALA 63 HB2 ALA 63 9.296 -11.877 -4.615 487 HB3 ALA 63 HB3 ALA 63 10.885 -12.628 -4.451 488 H THR 64 HN THR 64 12.100 -9.503 -5.157 489 HA THR 64 HA THR 64 14.480 -9.110 -3.631 490 HB THR 64 HB THR 64 15.868 -10.127 -5.532 491 HG1 THR 64 HG1 THR 64 14.718 -10.808 -7.087 492 HG21 THR 64 HG21 THR 64 15.936 -12.407 -4.562 493 HG22 THR 64 HG22 THR 64 14.435 -12.070 -3.705 494 HG23 THR 64 HG23 THR 64 15.899 -11.159 -3.316 495 HA PRO 65 HA PRO 65 14.446 -5.772 -6.690 496 HB2 PRO 65 HB2 PRO 65 17.348 -5.537 -6.088 497 HB3 PRO 65 HB1 PRO 65 16.088 -4.298 -5.978 498 HG2 PRO 65 HG2 PRO 65 17.194 -5.446 -3.820 499 HG3 PRO 65 HG1 PRO 65 15.496 -4.924 -3.844 500 HD2 PRO 65 HD2 PRO 65 16.683 -7.649 -4.050 501 HD3 PRO 65 HD1 PRO 65 15.162 -7.124 -3.269 502 HA PRO 66 HA PRO 66 17.870 -7.959 -9.540 503 HB2 PRO 66 HB2 PRO 66 18.952 -10.278 -8.548 504 HB3 PRO 66 HB1 PRO 66 19.634 -8.693 -8.132 505 HG2 PRO 66 HG2 PRO 66 17.613 -10.207 -6.593 506 HG3 PRO 66 HG1 PRO 66 19.218 -9.645 -6.056 507 HD2 PRO 66 HD2 PRO 66 17.108 -8.331 -5.578 508 HD3 PRO 66 HD1 PRO 66 18.541 -7.415 -6.164 509 HA PRO 67 HA PRO 67 14.549 -10.631 -10.957 510 HB2 PRO 67 HB2 PRO 67 16.618 -11.988 -12.609 511 HB3 PRO 67 HB1 PRO 67 15.100 -11.236 -13.112 512 HG2 PRO 67 HG2 PRO 67 17.419 -10.034 -13.591 513 HG3 PRO 67 HG1 PRO 67 16.001 -9.097 -13.093 514 HD2 PRO 67 HD2 PRO 67 18.384 -9.922 -11.488 515 HD3 PRO 67 HD1 PRO 67 17.476 -8.399 -11.470 516 H SER 68 HN SER 68 17.646 -12.350 -10.516 517 HA SER 68 HA SER 68 16.104 -14.553 -9.330 518 HB2 SER 68 HB2 SER 68 18.004 -15.993 -10.116 519 HB3 SER 68 HB1 SER 68 17.029 -15.277 -11.402 520 HG SER 68 HG SER 68 19.286 -15.118 -11.747 521 H ALA 69 HN ALA 69 18.681 -12.320 -8.951 522 HA ALA 69 HA ALA 69 20.074 -11.755 -7.289 523 HB1 ALA 69 HB1 ALA 69 19.639 -12.498 -4.977 524 HB2 ALA 69 HB2 ALA 69 18.413 -13.637 -5.572 525 HB3 ALA 69 HB3 ALA 69 18.205 -11.886 -5.786 526 H GLN 70 HN GLN 70 20.640 -13.723 -9.116 527 HA GLN 70 HA GLN 70 21.978 -15.921 -8.044 528 HB2 GLN 70 HB2 GLN 70 21.412 -15.815 -10.414 529 HB3 GLN 70 HB1 GLN 70 22.515 -14.483 -10.672 530 HG2 GLN 70 HG2 GLN 70 24.394 -15.955 -10.071 531 HG3 GLN 70 HG1 GLN 70 23.252 -17.281 -9.869 532 HE21 GLN 70 HE21 GLN 70 24.231 -18.493 -11.471 533 HE22 GLN 70 HE22 GLN 70 24.095 -18.105 -13.141 534 HA PRO 71 HA PRO 71 25.959 -13.413 -7.657 535 HB2 PRO 71 HB2 PRO 71 25.738 -10.626 -8.124 536 HB3 PRO 71 HB1 PRO 71 26.532 -11.805 -9.169 537 HG2 PRO 71 HG2 PRO 71 24.199 -10.355 -9.760 538 HG3 PRO 71 HG1 PRO 71 24.824 -11.748 -10.653 539 HD2 PRO 71 HD2 PRO 71 22.649 -11.597 -8.641 540 HD3 PRO 71 HD1 PRO 71 22.837 -12.693 -10.020 541 H TRP 72 HN TRP 72 26.051 -13.461 -5.502 542 HA TRP 72 HA TRP 72 24.605 -11.392 -4.013 543 HB2 TRP 72 HB2 TRP 72 23.501 -13.584 -3.793 544 HB3 TRP 72 HB1 TRP 72 25.009 -14.289 -3.222 545 HD1 TRP 72 HD1 TRP 72 25.823 -13.537 -0.740 546 HE1 TRP 72 HE1 TRP 72 24.518 -12.745 1.281 547 HE3 TRP 72 HE3 TRP 72 21.453 -12.323 -3.087 548 HZ2 TRP 72 HZ2 TRP 72 21.908 -11.740 1.847 549 HZ3 TRP 72 HZ3 TRP 72 19.591 -11.462 -1.729 550 HH2 TRP 72 HH2 TRP 72 19.816 -11.178 0.688 551 H LYS 73 HN LYS 73 25.687 -10.461 -2.384 552 HA LYS 73 HA LYS 73 28.364 -11.454 -1.693 553 HB2 LYS 73 HB2 LYS 73 28.595 -9.430 -3.113 554 HB3 LYS 73 HB1 LYS 73 27.521 -8.559 -2.037 555 HG2 LYS 73 HG2 LYS 73 29.834 -7.915 -1.670 556 HG3 LYS 73 HG1 LYS 73 29.168 -8.705 -0.242 557 HD2 LYS 73 HD2 LYS 73 30.274 -10.801 -0.910 558 HD3 LYS 73 HD1 LYS 73 30.946 -9.990 -2.314 559 HE2 LYS 73 HE2 LYS 73 32.569 -10.149 -0.473 560 HE3 LYS 73 HE1 LYS 73 32.210 -8.482 -0.902 561 HZ1 LYS 73 HZ1 LYS 73 30.746 -8.334 1.032 562 HZ2 LYS 73 HZ2 LYS 73 32.272 -8.829 1.495 563 HZ3 LYS 73 HZ3 LYS 73 31.028 -9.951 1.401 564 H GLY 74 HN GLY 74 26.003 -9.044 -0.662 565 HA2 GLY 74 HA2 GLY 74 25.234 -10.384 1.671 566 HA3 GLY 74 HA1 GLY 74 26.470 -9.178 2.057 567 H ASP 75 HN ASP 75 23.522 -9.552 0.178 568 HA ASP 75 HA ASP 75 23.111 -6.700 0.201 569 HB2 ASP 75 HB2 ASP 75 22.616 -8.281 -1.758 570 HB3 ASP 75 HB1 ASP 75 21.229 -8.827 -0.828 571 HA PRO 76 HA PRO 76 20.795 -7.065 3.950 572 HB2 PRO 76 HB2 PRO 76 19.948 -4.519 4.181 573 HB3 PRO 76 HB1 PRO 76 21.637 -4.975 4.432 574 HG2 PRO 76 HG2 PRO 76 20.348 -3.716 2.053 575 HG3 PRO 76 HG1 PRO 76 21.930 -3.385 2.774 576 HD2 PRO 76 HD2 PRO 76 21.552 -4.958 0.540 577 HD3 PRO 76 HD1 PRO 76 22.945 -5.082 1.635 578 H VAL 77 HN VAL 77 18.673 -6.942 4.764 579 HA VAL 77 HA VAL 77 16.637 -7.693 2.954 580 HB VAL 77 HB VAL 77 16.830 -8.426 5.352 581 HG11 VAL 77 HG11 VAL 77 17.296 -6.284 6.399 582 HG12 VAL 77 HG12 VAL 77 15.904 -7.066 7.133 583 HG13 VAL 77 HG13 VAL 77 15.668 -5.729 6.006 584 HG21 VAL 77 HG21 VAL 77 14.432 -8.486 5.803 585 HG22 VAL 77 HG22 VAL 77 14.807 -8.876 4.128 586 HG23 VAL 77 HG23 VAL 77 14.166 -7.281 4.543 587 H GLU 78 HN GLU 78 17.760 -4.722 3.932 588 HA GLU 78 HA GLU 78 15.456 -3.084 3.757 589 HB2 GLU 78 HB2 GLU 78 18.355 -2.369 3.345 590 HB3 GLU 78 HB1 GLU 78 17.042 -1.232 3.626 591 HG2 GLU 78 HG2 GLU 78 16.666 -2.234 5.834 592 HG3 GLU 78 HG1 GLU 78 17.987 -3.352 5.529 593 H GLN 79 HN GLN 79 17.307 -4.691 1.385 594 HA GLN 79 HA GLN 79 16.509 -2.863 -0.691 595 HB2 GLN 79 HB2 GLN 79 17.969 -5.496 -0.864 596 HB3 GLN 79 HB1 GLN 79 17.659 -4.402 -2.206 597 HG2 GLN 79 HG2 GLN 79 19.341 -3.806 0.212 598 HG3 GLN 79 HG1 GLN 79 19.908 -4.155 -1.420 599 HE21 GLN 79 HE21 GLN 79 20.338 -1.805 0.245 600 HE22 GLN 79 HE22 GLN 79 19.740 -0.461 -0.650 601 H LEU 80 HN LEU 80 15.433 -5.791 0.800 602 HA LEU 80 HA LEU 80 13.744 -6.625 -1.366 603 HB2 LEU 80 HB2 LEU 80 13.550 -7.385 1.558 604 HB3 LEU 80 HB1 LEU 80 12.785 -8.197 0.191 605 HG LEU 80 HG LEU 80 15.740 -8.112 0.784 606 HD11 LEU 80 HD11 LEU 80 13.756 -10.371 0.896 607 HD12 LEU 80 HD12 LEU 80 14.491 -9.569 2.278 608 HD13 LEU 80 HD13 LEU 80 15.493 -10.505 1.166 609 HD21 LEU 80 HD21 LEU 80 15.896 -9.727 -1.087 610 HD22 LEU 80 HD22 LEU 80 15.428 -8.113 -1.585 611 HD23 LEU 80 HD23 LEU 80 14.207 -9.388 -1.477 612 H VAL 81 HN VAL 81 13.580 -4.440 1.218 613 HA VAL 81 HA VAL 81 10.746 -3.978 0.748 614 HB VAL 81 HB VAL 81 12.585 -2.891 2.910 615 HG11 VAL 81 HG11 VAL 81 10.503 -1.962 3.897 616 HG12 VAL 81 HG12 VAL 81 9.637 -2.453 2.429 617 HG13 VAL 81 HG13 VAL 81 10.904 -1.239 2.337 618 HG21 VAL 81 HG21 VAL 81 11.215 -4.266 4.416 619 HG22 VAL 81 HG22 VAL 81 12.003 -5.254 3.184 620 HG23 VAL 81 HG23 VAL 81 10.293 -4.847 3.032 621 H ARG 82 HN ARG 82 10.155 -2.347 -0.431 622 HA ARG 82 HA ARG 82 12.227 -0.479 -1.345 623 HB2 ARG 82 HB2 ARG 82 9.629 -1.268 -2.632 624 HB3 ARG 82 HB1 ARG 82 10.780 -0.124 -3.291 625 HG2 ARG 82 HG2 ARG 82 11.391 -3.034 -2.777 626 HG3 ARG 82 HG1 ARG 82 10.889 -2.384 -4.336 627 HD2 ARG 82 HD2 ARG 82 13.285 -2.616 -4.324 628 HD3 ARG 82 HD1 ARG 82 12.863 -0.904 -4.301 629 HE ARG 82 HE ARG 82 13.362 -2.019 -1.688 630 HH11 ARG 82 HH11 ARG 82 14.896 -0.538 -4.493 631 HH12 ARG 82 HH12 ARG 82 16.246 0.032 -3.618 632 HH21 ARG 82 HH21 ARG 82 15.169 -1.239 -0.471 633 HH22 ARG 82 HH22 ARG 82 16.412 -0.394 -1.270 634 H HIS 83 HN HIS 83 11.891 1.673 -1.208 635 HA HIS 83 HA HIS 83 9.466 2.461 0.228 636 HB2 HIS 83 HB2 HIS 83 12.225 3.667 0.458 637 HB3 HIS 83 HB1 HIS 83 10.776 4.348 1.179 638 HD1 HIS 83 HD1 HIS 83 9.529 2.424 2.886 639 HD2 HIS 83 HD2 HIS 83 13.604 2.137 2.135 640 HE1 HIS 83 HE1 HIS 83 10.517 1.094 4.799 641 H PHE 84 HN PHE 84 8.208 3.723 -0.793 642 HA PHE 84 HA PHE 84 9.290 5.544 -2.823 643 HB2 PHE 84 HB2 PHE 84 6.710 3.955 -2.984 644 HB3 PHE 84 HB1 PHE 84 7.236 5.145 -4.161 645 HD1 PHE 84 HD1 PHE 84 9.472 4.687 -5.353 646 HD2 PHE 84 HD2 PHE 84 7.278 1.731 -3.225 647 HE1 PHE 84 HE1 PHE 84 10.671 2.924 -6.571 648 HE2 PHE 84 HE2 PHE 84 8.470 -0.038 -4.443 649 HZ PHE 84 HZ PHE 84 10.170 0.555 -6.117 650 H LEU 85 HN LEU 85 8.634 7.598 -2.420 651 HA LEU 85 HA LEU 85 6.639 7.787 -0.345 652 HB2 LEU 85 HB2 LEU 85 7.286 10.173 -0.074 653 HB3 LEU 85 HB1 LEU 85 8.519 9.016 0.354 654 HG LEU 85 HG LEU 85 8.604 10.323 -2.350 655 HD11 LEU 85 HD11 LEU 85 8.302 12.128 -0.721 656 HD12 LEU 85 HD12 LEU 85 9.969 12.094 -1.314 657 HD13 LEU 85 HD13 LEU 85 9.576 11.436 0.279 658 HD21 LEU 85 HD21 LEU 85 10.992 9.997 -2.019 659 HD22 LEU 85 HD22 LEU 85 10.129 8.465 -1.779 660 HD23 LEU 85 HD23 LEU 85 10.681 9.396 -0.388 661 H ILE 86 HN ILE 86 4.913 8.810 -0.475 662 HA ILE 86 HA ILE 86 3.923 9.480 -3.128 663 HB ILE 86 HB ILE 86 2.503 8.854 -0.531 664 HG12 ILE 86 HG12 ILE 86 2.825 7.176 -3.017 665 HG13 ILE 86 HG11 ILE 86 3.702 6.921 -1.511 666 HG21 ILE 86 HG21 ILE 86 0.487 8.740 -1.922 667 HG22 ILE 86 HG22 ILE 86 1.443 9.283 -3.317 668 HG23 ILE 86 HG23 ILE 86 1.232 10.337 -1.920 669 HD11 ILE 86 HD11 ILE 86 0.726 6.702 -1.898 670 HD12 ILE 86 HD12 ILE 86 1.590 6.454 -0.380 671 HD13 ILE 86 HD13 ILE 86 1.858 5.357 -1.739 672 H GLU 87 HN GLU 87 3.738 11.574 -3.497 673 HA GLU 87 HA GLU 87 3.950 13.430 -1.230 674 HB2 GLU 87 HB2 GLU 87 4.384 13.952 -4.172 675 HB3 GLU 87 HB1 GLU 87 4.691 15.074 -2.862 676 HG2 GLU 87 HG2 GLU 87 6.420 13.557 -2.027 677 HG3 GLU 87 HG1 GLU 87 6.117 12.498 -3.407 678 H THR 88 HN THR 88 2.446 15.025 -0.954 679 HA THR 88 HA THR 88 0.262 15.080 -2.851 680 HB THR 88 HB THR 88 -0.674 13.852 -1.052 681 HG1 THR 88 HG1 THR 88 -1.847 15.883 -1.795 682 HG21 THR 88 HG21 THR 88 0.438 15.918 0.848 683 HG22 THR 88 HG22 THR 88 0.951 14.231 0.664 684 HG23 THR 88 HG23 THR 88 -0.652 14.597 1.300 685 H GLY 89 HN GLY 89 -0.022 16.935 -3.678 686 HA2 GLY 89 HA2 GLY 89 0.501 19.382 -2.150 687 HA3 GLY 89 HA1 GLY 89 1.287 19.164 -3.715 688 HA PRO 90 HA PRO 90 -2.833 21.046 -4.594 689 HB2 PRO 90 HB2 PRO 90 -2.007 22.727 -6.566 690 HB3 PRO 90 HB1 PRO 90 -1.901 23.151 -4.856 691 HG2 PRO 90 HG2 PRO 90 0.229 22.130 -6.685 692 HG3 PRO 90 HG1 PRO 90 0.324 23.404 -5.459 693 HD2 PRO 90 HD2 PRO 90 1.231 20.867 -5.056 694 HD3 PRO 90 HD1 PRO 90 0.632 21.891 -3.740 695 H LYS 91 HN LYS 91 -0.439 19.467 -6.370 696 HA LYS 91 HA LYS 91 -1.799 19.004 -8.831 697 HB2 LYS 91 HB2 LYS 91 0.431 17.496 -7.468 698 HB3 LYS 91 HB1 LYS 91 -0.117 17.186 -9.110 699 HG2 LYS 91 HG2 LYS 91 1.021 19.788 -8.130 700 HG3 LYS 91 HG1 LYS 91 1.918 18.559 -9.033 701 HD2 LYS 91 HD2 LYS 91 0.387 18.797 -10.895 702 HD3 LYS 91 HD1 LYS 91 -0.547 19.997 -10.002 703 HE2 LYS 91 HE2 LYS 91 2.312 20.251 -10.900 704 HE3 LYS 91 HE1 LYS 91 0.878 21.028 -11.596 705 HZ1 LYS 91 HZ1 LYS 91 0.571 22.237 -9.521 706 HZ2 LYS 91 HZ2 LYS 91 2.078 22.562 -10.169 707 HZ3 LYS 91 HZ3 LYS 91 1.949 21.527 -8.857 708 H GLY 92 HN GLY 92 -1.790 17.602 -5.664 709 HA2 GLY 92 HA2 GLY 92 -3.744 16.239 -5.090 710 HA3 GLY 92 HA1 GLY 92 -3.398 15.318 -6.557 711 H VAL 93 HN VAL 93 -3.125 13.454 -5.311 712 HA VAL 93 HA VAL 93 -0.550 13.437 -3.934 713 HB VAL 93 HB VAL 93 -2.484 13.075 -2.427 714 HG11 VAL 93 HG11 VAL 93 -4.038 11.965 -3.883 715 HG12 VAL 93 HG12 VAL 93 -3.735 10.968 -2.460 716 HG13 VAL 93 HG13 VAL 93 -2.974 10.566 -4.000 717 HG21 VAL 93 HG21 VAL 93 -0.309 12.128 -1.886 718 HG22 VAL 93 HG22 VAL 93 -0.776 10.641 -2.714 719 HG23 VAL 93 HG23 VAL 93 -1.635 11.147 -1.259 720 H LYS 94 HN LYS 94 0.960 11.992 -4.644 721 HA LYS 94 HA LYS 94 0.163 9.781 -6.313 722 HB2 LYS 94 HB2 LYS 94 1.015 10.445 -8.359 723 HB3 LYS 94 HB1 LYS 94 0.238 11.900 -7.789 724 HG2 LYS 94 HG2 LYS 94 3.211 11.325 -7.806 725 HG3 LYS 94 HG1 LYS 94 2.355 12.398 -8.893 726 HD2 LYS 94 HD2 LYS 94 1.820 13.847 -6.909 727 HD3 LYS 94 HD1 LYS 94 2.853 12.793 -5.932 728 HE2 LYS 94 HE2 LYS 94 4.680 13.215 -7.595 729 HE3 LYS 94 HE1 LYS 94 3.662 14.425 -8.334 730 HZ1 LYS 94 HZ1 LYS 94 3.652 15.489 -5.976 731 HZ2 LYS 94 HZ2 LYS 94 4.938 15.651 -7.006 732 HZ3 LYS 94 HZ3 LYS 94 5.097 14.593 -5.749 733 H ILE 95 HN ILE 95 1.942 8.379 -6.869 734 HA ILE 95 HA ILE 95 3.932 8.245 -4.843 735 HB ILE 95 HB ILE 95 3.529 6.650 -7.404 736 HG12 ILE 95 HG12 ILE 95 2.893 5.908 -4.540 737 HG13 ILE 95 HG11 ILE 95 1.706 6.462 -5.715 738 HG21 ILE 95 HG21 ILE 95 5.035 4.950 -6.431 739 HG22 ILE 95 HG22 ILE 95 5.410 6.067 -5.112 740 HG23 ILE 95 HG23 ILE 95 5.847 6.475 -6.775 741 HD11 ILE 95 HD11 ILE 95 1.654 4.051 -5.412 742 HD12 ILE 95 HD12 ILE 95 3.351 3.944 -5.890 743 HD13 ILE 95 HD13 ILE 95 2.136 4.474 -7.052 744 H LYS 96 HN LYS 96 6.104 8.742 -5.010 745 HA LYS 96 HA LYS 96 6.830 10.637 -7.016 746 HB2 LYS 96 HB2 LYS 96 7.532 10.779 -4.613 747 HB3 LYS 96 HB1 LYS 96 8.589 9.400 -4.885 748 HG2 LYS 96 HG2 LYS 96 9.836 11.429 -4.956 749 HG3 LYS 96 HG1 LYS 96 9.767 10.733 -6.583 750 HD2 LYS 96 HD2 LYS 96 8.052 12.255 -7.232 751 HD3 LYS 96 HD1 LYS 96 7.880 12.842 -5.580 752 HE2 LYS 96 HE2 LYS 96 9.072 14.438 -6.766 753 HE3 LYS 96 HE1 LYS 96 10.181 13.591 -5.681 754 HZ1 LYS 96 HZ1 LYS 96 9.926 13.005 -8.596 755 HZ2 LYS 96 HZ2 LYS 96 11.062 12.322 -7.543 756 HZ3 LYS 96 HZ3 LYS 96 11.131 13.960 -7.929 757 H GLY 97 HN GLY 97 7.884 10.256 -8.830 758 HA2 GLY 97 HA2 GLY 97 9.695 9.187 -10.027 759 HA3 GLY 97 HA1 GLY 97 9.285 7.698 -9.166 760 H CYS 98 HN CYS 98 6.789 7.379 -9.331 761 HA CYS 98 HA CYS 98 5.873 7.821 -12.033 762 HB2 CYS 98 HB2 CYS 98 6.893 5.548 -11.915 763 HB3 CYS 98 HB1 CYS 98 5.828 5.172 -10.579 764 HG CYS 98 HG CYS 98 5.268 4.647 -13.689 765 HA PRO 99 HA PRO 99 2.591 8.957 -9.144 766 HB2 PRO 99 HB2 PRO 99 0.925 9.486 -11.503 767 HB3 PRO 99 HB1 PRO 99 1.549 10.643 -10.327 768 HG2 PRO 99 HG2 PRO 99 2.448 10.571 -12.866 769 HG3 PRO 99 HG1 PRO 99 3.503 10.986 -11.504 770 HD2 PRO 99 HD2 PRO 99 3.212 8.379 -12.948 771 HD3 PRO 99 HD1 PRO 99 4.697 9.215 -12.474 772 H SER 100 HN SER 100 1.646 7.481 -12.130 773 HA SER 100 HA SER 100 0.948 5.018 -11.794 774 HB2 SER 100 HB2 SER 100 -0.640 5.618 -9.912 775 HB3 SER 100 HB1 SER 100 -1.508 6.687 -11.009 776 HG SER 100 HG SER 100 -1.386 3.896 -10.926 777 H GLU 101 HN GLU 101 -1.520 7.367 -12.584 778 HA GLU 101 HA GLU 101 -0.554 7.753 -15.223 779 HB2 GLU 101 HB2 GLU 101 -3.347 6.580 -14.726 780 HB3 GLU 101 HB1 GLU 101 -2.826 7.269 -16.263 781 HG2 GLU 101 HG2 GLU 101 -1.193 5.498 -16.480 782 HG3 GLU 101 HG1 GLU 101 -1.612 4.903 -14.880 783 HA PRO 102 HA PRO 102 -3.048 11.383 -13.691 784 HB2 PRO 102 HB2 PRO 102 -5.250 11.271 -12.279 785 HB3 PRO 102 HB1 PRO 102 -5.275 10.605 -13.920 786 HG2 PRO 102 HG2 PRO 102 -5.126 9.168 -11.303 787 HG3 PRO 102 HG1 PRO 102 -6.029 8.741 -12.767 788 HD2 PRO 102 HD2 PRO 102 -3.496 7.738 -12.029 789 HD3 PRO 102 HD1 PRO 102 -4.307 7.613 -13.612 790 H TYR 103 HN TYR 103 -3.701 12.638 -11.526 791 HA TYR 103 HA TYR 103 -2.082 11.621 -9.293 792 HB2 TYR 103 HB2 TYR 103 -3.068 14.427 -9.911 793 HB3 TYR 103 HB1 TYR 103 -2.191 13.989 -8.455 794 HD1 TYR 103 HD2 TYR 103 -1.782 13.722 -12.173 795 HD2 TYR 103 HD1 TYR 103 0.118 14.451 -8.424 796 HE1 TYR 103 HE2 TYR 103 0.310 14.178 -13.322 797 HE2 TYR 103 HE1 TYR 103 2.198 14.919 -9.581 798 HH TYR 103 HH TYR 103 2.397 15.210 -13.017 799 H PHE 104 HN PHE 104 -3.150 11.020 -7.482 800 HA PHE 104 HA PHE 104 -6.013 10.879 -7.743 801 HB2 PHE 104 HB2 PHE 104 -4.113 9.589 -5.795 802 HB3 PHE 104 HB1 PHE 104 -5.855 9.336 -5.792 803 HD1 PHE 104 HD2 PHE 104 -2.718 8.678 -7.565 804 HD2 PHE 104 HD1 PHE 104 -6.921 8.027 -7.510 805 HE1 PHE 104 HE2 PHE 104 -2.461 6.868 -9.226 806 HE2 PHE 104 HE1 PHE 104 -6.665 6.224 -9.164 807 HZ PHE 104 HZ PHE 104 -4.430 5.647 -10.019 808 H GLY 105 HN GLY 105 -7.278 11.012 -5.611 809 HA2 GLY 105 HA2 GLY 105 -6.640 13.601 -4.404 810 HA3 GLY 105 HA1 GLY 105 -8.222 12.832 -4.435 811 H SER 106 HN SER 106 -6.953 10.218 -3.616 812 HA SER 106 HA SER 106 -5.996 10.824 -0.943 813 HB2 SER 106 HB2 SER 106 -8.407 9.071 -1.470 814 HB3 SER 106 HB1 SER 106 -7.633 9.330 0.098 815 HG SER 106 HG SER 106 -8.111 11.686 -0.939 816 H LEU 107 HN LEU 107 -5.159 8.894 0.149 817 HA LEU 107 HA LEU 107 -3.366 7.483 -1.471 818 HB2 LEU 107 HB2 LEU 107 -4.213 6.982 1.366 819 HB3 LEU 107 HB1 LEU 107 -2.901 6.132 0.581 820 HG LEU 107 HG LEU 107 -2.988 9.098 1.150 821 HD11 LEU 107 HD11 LEU 107 -1.414 6.884 2.443 822 HD12 LEU 107 HD12 LEU 107 -2.752 7.778 3.169 823 HD13 LEU 107 HD13 LEU 107 -1.246 8.608 2.779 824 HD21 LEU 107 HD21 LEU 107 -0.805 7.367 -0.007 825 HD22 LEU 107 HD22 LEU 107 -0.632 9.054 0.476 826 HD23 LEU 107 HD23 LEU 107 -1.704 8.628 -0.857 827 H SER 108 HN SER 108 -6.356 6.339 0.132 828 HA SER 108 HA SER 108 -6.107 3.650 -0.354 829 HB2 SER 108 HB2 SER 108 -8.722 5.132 -0.437 830 HB3 SER 108 HB1 SER 108 -8.385 3.532 0.228 831 HG SER 108 HG SER 108 -7.508 4.432 2.024 832 H ALA 109 HN ALA 109 -7.162 6.188 -2.549 833 HA ALA 109 HA ALA 109 -8.361 4.587 -4.523 834 HB1 ALA 109 HB1 ALA 109 -8.105 6.525 -5.995 835 HB2 ALA 109 HB2 ALA 109 -6.988 7.262 -4.850 836 HB3 ALA 109 HB3 ALA 109 -8.677 7.022 -4.403 837 H LEU 110 HN LEU 110 -5.063 5.905 -4.264 838 HA LEU 110 HA LEU 110 -4.223 4.588 -6.636 839 HB2 LEU 110 HB2 LEU 110 -1.923 5.331 -6.055 840 HB3 LEU 110 HB1 LEU 110 -3.091 6.619 -6.089 841 HG LEU 110 HG LEU 110 -3.124 6.372 -3.508 842 HD11 LEU 110 HD11 LEU 110 -0.501 5.012 -4.069 843 HD12 LEU 110 HD12 LEU 110 -1.928 4.269 -3.350 844 HD13 LEU 110 HD13 LEU 110 -1.082 5.554 -2.493 845 HD21 LEU 110 HD21 LEU 110 -1.202 7.857 -3.288 846 HD22 LEU 110 HD22 LEU 110 -2.219 8.298 -4.662 847 HD23 LEU 110 HD23 LEU 110 -0.697 7.447 -4.929 848 H VAL 111 HN VAL 111 -4.309 3.689 -3.345 849 HA VAL 111 HA VAL 111 -2.500 1.539 -3.410 850 HB VAL 111 HB VAL 111 -4.906 2.057 -1.635 851 HG11 VAL 111 HG11 VAL 111 -4.494 -0.356 -1.701 852 HG12 VAL 111 HG12 VAL 111 -4.047 0.324 -0.136 853 HG13 VAL 111 HG13 VAL 111 -2.795 -0.080 -1.313 854 HG21 VAL 111 HG21 VAL 111 -1.940 2.295 -1.146 855 HG22 VAL 111 HG22 VAL 111 -3.204 2.614 0.042 856 HG23 VAL 111 HG23 VAL 111 -3.060 3.630 -1.393 857 H SER 112 HN SER 112 -6.031 1.604 -3.790 858 HA SER 112 HA SER 112 -6.310 -1.160 -4.215 859 HB2 SER 112 HB2 SER 112 -8.145 0.342 -3.471 860 HB3 SER 112 HB1 SER 112 -8.169 1.074 -5.071 861 HG SER 112 HG SER 112 -8.378 -1.686 -4.992 862 H GLN 113 HN GLN 113 -5.548 1.455 -6.407 863 HA GLN 113 HA GLN 113 -6.203 0.076 -8.798 864 HB2 GLN 113 HB2 GLN 113 -4.203 2.316 -8.432 865 HB3 GLN 113 HB1 GLN 113 -4.856 1.765 -9.965 866 HG2 GLN 113 HG2 GLN 113 -6.399 3.050 -7.724 867 HG3 GLN 113 HG1 GLN 113 -5.936 3.802 -9.246 868 HE21 GLN 113 HE21 GLN 113 -8.563 3.343 -8.019 869 HE22 GLN 113 HE22 GLN 113 -9.480 2.471 -9.180 870 H HIS 114 HN HIS 114 -3.379 0.110 -6.765 871 HA HIS 114 HA HIS 114 -1.771 -1.183 -8.773 872 HB2 HIS 114 HB2 HIS 114 -1.150 -0.226 -6.003 873 HB3 HIS 114 HB1 HIS 114 -0.025 -1.261 -6.883 874 HD1 HIS 114 HD1 HIS 114 -1.391 2.235 -6.838 875 HD2 HIS 114 HD2 HIS 114 1.205 -0.110 -9.076 876 HE1 HIS 114 HE1 HIS 114 -0.156 3.813 -8.381 877 H SER 115 HN SER 115 -4.049 -2.325 -6.774 878 HA SER 115 HA SER 115 -2.824 -4.884 -6.312 879 HB2 SER 115 HB2 SER 115 -5.708 -3.992 -6.131 880 HB3 SER 115 HB1 SER 115 -5.029 -5.479 -5.456 881 HG SER 115 HG SER 115 -3.668 -4.180 -4.190 882 H ILE 116 HN ILE 116 -4.500 -3.222 -8.757 883 HA ILE 116 HA ILE 116 -5.091 -5.685 -10.230 884 HB ILE 116 HB ILE 116 -6.127 -2.866 -10.687 885 HG12 ILE 116 HG12 ILE 116 -7.533 -5.304 -9.560 886 HG13 ILE 116 HG11 ILE 116 -6.980 -3.929 -8.616 887 HG21 ILE 116 HG21 ILE 116 -7.684 -3.923 -12.274 888 HG22 ILE 116 HG22 ILE 116 -6.890 -5.474 -12.014 889 HG23 ILE 116 HG23 ILE 116 -6.006 -4.147 -12.766 890 HD11 ILE 116 HD11 ILE 116 -8.546 -2.486 -9.802 891 HD12 ILE 116 HD12 ILE 116 -9.373 -3.839 -9.027 892 HD13 ILE 116 HD13 ILE 116 -9.085 -3.861 -10.767 893 H SER 117 HN SER 117 -3.724 -2.418 -10.622 894 HA SER 117 HA SER 117 -2.164 -3.449 -12.868 895 HB2 SER 117 HB2 SER 117 -3.193 -0.637 -12.423 896 HB3 SER 117 HB1 SER 117 -2.299 -1.221 -13.829 897 HG SER 117 HG SER 117 -3.983 -2.610 -14.281 898 HA PRO 118 HA PRO 118 1.026 -2.125 -9.890 899 HB2 PRO 118 HB2 PRO 118 2.820 -3.920 -11.314 900 HB3 PRO 118 HB1 PRO 118 2.252 -4.043 -9.652 901 HG2 PRO 118 HG2 PRO 118 1.504 -5.780 -11.627 902 HG3 PRO 118 HG1 PRO 118 0.510 -5.420 -10.206 903 HD2 PRO 118 HD2 PRO 118 0.279 -4.369 -12.996 904 HD3 PRO 118 HD1 PRO 118 -0.998 -4.847 -11.856 905 H ILE 119 HN ILE 119 0.903 -0.153 -10.987 906 HA ILE 119 HA ILE 119 2.333 0.236 -13.466 907 HB ILE 119 HB ILE 119 0.853 2.199 -11.697 908 HG12 ILE 119 HG12 ILE 119 0.035 0.891 -14.306 909 HG13 ILE 119 HG11 ILE 119 -0.576 0.456 -12.716 910 HG21 ILE 119 HG21 ILE 119 0.949 3.739 -13.613 911 HG22 ILE 119 HG22 ILE 119 1.965 2.597 -14.481 912 HG23 ILE 119 HG23 ILE 119 2.555 3.359 -13.003 913 HD11 ILE 119 HD11 ILE 119 -2.170 1.830 -13.907 914 HD12 ILE 119 HD12 ILE 119 -0.953 3.086 -14.119 915 HD13 ILE 119 HD13 ILE 119 -1.550 2.713 -12.509 916 H SER 120 HN SER 120 2.419 1.974 -10.358 917 HA SER 120 HA SER 120 5.055 2.931 -10.920 918 HB2 SER 120 HB2 SER 120 3.348 3.230 -8.467 919 HB3 SER 120 HB1 SER 120 4.643 4.302 -9.013 920 HG SER 120 HG SER 120 3.374 4.711 -10.893 921 H LEU 121 HN LEU 121 3.776 0.172 -9.552 922 HA LEU 121 HA LEU 121 6.081 -0.196 -7.785 923 HB2 LEU 121 HB2 LEU 121 3.293 -1.283 -7.456 924 HB3 LEU 121 HB1 LEU 121 4.635 -1.551 -6.364 925 HG LEU 121 HG LEU 121 3.338 1.124 -6.908 926 HD11 LEU 121 HD11 LEU 121 2.492 0.934 -4.641 927 HD12 LEU 121 HD12 LEU 121 3.177 -0.692 -4.540 928 HD13 LEU 121 HD13 LEU 121 1.878 -0.349 -5.687 929 HD21 LEU 121 HD21 LEU 121 4.668 1.903 -5.004 930 HD22 LEU 121 HD22 LEU 121 5.682 1.378 -6.342 931 HD23 LEU 121 HD23 LEU 121 5.477 0.336 -4.931 932 HA PRO 122 HA PRO 122 6.969 -3.633 -10.461 933 HB2 PRO 122 HB2 PRO 122 8.490 -5.110 -8.680 934 HB3 PRO 122 HB1 PRO 122 9.108 -3.753 -9.625 935 HG2 PRO 122 HG2 PRO 122 8.205 -3.833 -6.782 936 HG3 PRO 122 HG1 PRO 122 9.561 -2.954 -7.504 937 HD2 PRO 122 HD2 PRO 122 7.248 -1.740 -6.849 938 HD3 PRO 122 HD1 PRO 122 8.219 -1.235 -8.245 939 H CYS 123 HN CYS 123 5.752 -4.170 -7.224 940 HA CYS 123 HA CYS 123 4.575 -6.714 -8.085 941 HB2 CYS 123 HB2 CYS 123 5.208 -5.770 -5.277 942 HB3 CYS 123 HB1 CYS 123 4.508 -7.325 -5.709 943 HG CYS 123 HG CYS 123 7.105 -7.313 -7.478 944 H CYS 124 HN CYS 124 2.408 -7.136 -7.297 945 HA CYS 124 HA CYS 124 0.758 -4.799 -7.360 946 HB2 CYS 124 HB2 CYS 124 -1.061 -6.542 -7.212 947 HB3 CYS 124 HB1 CYS 124 0.022 -6.722 -8.591 948 HG CYS 124 HG CYS 124 0.498 -8.476 -5.711 949 H LEU 125 HN LEU 125 -0.508 -4.086 -5.665 950 HA LEU 125 HA LEU 125 0.527 -4.608 -3.032 951 HB2 LEU 125 HB2 LEU 125 -1.752 -2.863 -3.934 952 HB3 LEU 125 HB1 LEU 125 -1.185 -2.972 -2.284 953 HG LEU 125 HG LEU 125 0.343 -1.891 -4.642 954 HD11 LEU 125 HD11 LEU 125 -0.733 -0.561 -2.163 955 HD12 LEU 125 HD12 LEU 125 -1.416 -0.426 -3.778 956 HD13 LEU 125 HD13 LEU 125 0.192 0.225 -3.444 957 HD21 LEU 125 HD21 LEU 125 2.054 -1.296 -2.949 958 HD22 LEU 125 HD22 LEU 125 1.877 -3.029 -3.187 959 HD23 LEU 125 HD23 LEU 125 1.170 -2.260 -1.766 960 H ARG 126 HN ARG 126 -0.097 -6.199 -1.781 961 HA ARG 126 HA ARG 126 -2.774 -7.255 -2.153 962 HB2 ARG 126 HB2 ARG 126 -0.828 -8.868 -2.006 963 HB3 ARG 126 HB1 ARG 126 -0.588 -8.339 -0.345 964 HG2 ARG 126 HG2 ARG 126 -1.800 -10.443 -0.420 965 HG3 ARG 126 HG1 ARG 126 -2.821 -9.167 0.245 966 HD2 ARG 126 HD2 ARG 126 -3.884 -8.890 -1.967 967 HD3 ARG 126 HD1 ARG 126 -2.889 -10.203 -2.600 968 HE ARG 126 HE ARG 126 -4.279 -11.155 -0.387 969 HH11 ARG 126 HH11 ARG 126 -4.970 -10.074 -3.703 970 HH12 ARG 126 HH12 ARG 126 -6.441 -10.927 -3.794 971 HH21 ARG 126 HH21 ARG 126 -6.314 -12.294 -0.570 972 HH22 ARG 126 HH22 ARG 126 -7.229 -12.168 -2.028 973 H ILE 127 HN ILE 127 -4.245 -6.233 -1.079 974 HA ILE 127 HA ILE 127 -3.566 -4.423 1.025 975 HB ILE 127 HB ILE 127 -6.282 -5.074 -0.153 976 HG12 ILE 127 HG12 ILE 127 -4.338 -2.888 -0.913 977 HG13 ILE 127 HG11 ILE 127 -4.566 -4.367 -1.831 978 HG21 ILE 127 HG21 ILE 127 -5.256 -2.648 1.325 979 HG22 ILE 127 HG22 ILE 127 -6.320 -3.876 1.993 980 HG23 ILE 127 HG23 ILE 127 -6.881 -2.854 0.668 981 HD11 ILE 127 HD11 ILE 127 -6.665 -2.271 -1.318 982 HD12 ILE 127 HD12 ILE 127 -6.869 -3.771 -2.236 983 HD13 ILE 127 HD13 ILE 127 -5.755 -2.533 -2.813 984 HA PRO 128 HA PRO 128 -4.626 -7.385 4.287 985 HB2 PRO 128 HB2 PRO 128 -3.601 -6.058 6.321 986 HB3 PRO 128 HB1 PRO 128 -2.604 -6.660 4.966 987 HG2 PRO 128 HG2 PRO 128 -3.636 -3.868 5.368 988 HG3 PRO 128 HG1 PRO 128 -1.965 -4.388 5.081 989 HD2 PRO 128 HD2 PRO 128 -3.653 -3.565 3.096 990 HD3 PRO 128 HD1 PRO 128 -2.327 -4.721 2.837 991 H SER 129 HN SER 129 -6.007 -4.704 3.526 992 HA SER 129 HA SER 129 -7.547 -3.969 5.777 993 HB2 SER 129 HB2 SER 129 -8.111 -3.278 2.902 994 HB3 SER 129 HB1 SER 129 -8.676 -2.430 4.347 995 HG SER 129 HG SER 129 -6.857 -1.386 4.384 996 H LYS 130 HN LYS 130 -8.226 -5.778 6.338 997 HA LYS 130 HA LYS 130 -10.219 -7.405 5.110 998 HB2 LYS 130 HB2 LYS 130 -9.367 -7.067 7.947 999 HB3 LYS 130 HB1 LYS 130 -10.507 -8.282 7.417 1000 HG2 LYS 130 HG2 LYS 130 -8.797 -9.285 6.002 1001 HG3 LYS 130 HG1 LYS 130 -7.642 -8.061 6.546 1002 HD2 LYS 130 HD2 LYS 130 -9.191 -9.794 8.360 1003 HD3 LYS 130 HD1 LYS 130 -7.583 -10.286 7.771 1004 HE2 LYS 130 HE2 LYS 130 -6.656 -8.200 8.766 1005 HE3 LYS 130 HE1 LYS 130 -8.248 -7.788 9.386 1006 HZ1 LYS 130 HZ1 LYS 130 -6.668 -10.176 10.182 1007 HZ2 LYS 130 HZ2 LYS 130 -8.184 -9.716 10.794 1008 HZ3 LYS 130 HZ3 LYS 130 -6.842 -8.745 11.057 1009 H ASP 131 HN ASP 131 -12.025 -7.737 7.005 1010 HA ASP 131 HA ASP 131 -13.414 -5.242 7.548 1011 HB2 ASP 131 HB2 ASP 131 -14.374 -5.882 5.396 1012 HB3 ASP 131 HB1 ASP 131 -14.595 -7.534 5.942 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 5.042 4.134 23.116 2 H2 MET 1 HT2 MET 1 5.460 3.605 24.665 3 H3 MET 1 HT3 MET 1 4.528 4.991 24.483 4 HA MET 1 HA MET 1 2.725 3.703 23.602 5 HB2 MET 1 HB2 MET 1 4.035 1.868 22.607 6 HB3 MET 1 HB1 MET 1 4.543 1.352 24.205 7 HG2 MET 1 HG2 MET 1 2.187 0.853 24.771 8 HG3 MET 1 HG1 MET 1 1.722 1.293 23.134 9 HE1 MET 1 HE1 MET 1 3.497 -1.500 21.009 10 HE2 MET 1 HE2 MET 1 4.148 0.081 21.424 11 HE3 MET 1 HE3 MET 1 2.451 -0.080 20.964 12 H HIS 2 HN HIS 2 1.323 3.990 25.148 13 HA HIS 2 HA HIS 2 2.011 3.304 27.900 14 HB2 HIS 2 HB2 HIS 2 0.988 5.577 27.259 15 HB3 HIS 2 HB1 HIS 2 -0.452 4.701 26.774 16 HD1 HIS 2 HD1 HIS 2 0.985 6.414 29.638 17 HD2 HIS 2 HD2 HIS 2 -1.670 3.308 29.010 18 HE1 HIS 2 HE1 HIS 2 -0.275 6.133 31.803 19 H HIS 3 HN HIS 3 1.004 1.438 28.803 20 HA HIS 3 HA HIS 3 -0.080 -0.239 26.797 21 HB2 HIS 3 HB2 HIS 3 0.604 -0.832 29.666 22 HB3 HIS 3 HB1 HIS 3 -0.201 -2.014 28.633 23 HD1 HIS 3 HD1 HIS 3 1.364 -3.501 27.342 24 HD2 HIS 3 HD2 HIS 3 3.124 0.105 28.395 25 HE1 HIS 3 HE1 HIS 3 3.712 -3.599 26.469 26 H HIS 4 HN HIS 4 -1.525 1.657 29.178 27 HA HIS 4 HA HIS 4 -4.136 0.584 28.464 28 HB2 HIS 4 HB2 HIS 4 -3.451 3.212 29.898 29 HB3 HIS 4 HB1 HIS 4 -5.065 2.569 29.682 30 HD1 HIS 4 HD1 HIS 4 -2.261 2.548 32.039 31 HD2 HIS 4 HD2 HIS 4 -5.503 0.118 31.109 32 HE1 HIS 4 HE1 HIS 4 -2.555 1.011 33.986 33 H HIS 5 HN HIS 5 -4.258 0.740 26.298 34 HA HIS 5 HA HIS 5 -2.768 2.708 24.943 35 HB2 HIS 5 HB2 HIS 5 -3.097 0.354 24.148 36 HB3 HIS 5 HB1 HIS 5 -4.741 0.793 23.702 37 HD1 HIS 5 HD1 HIS 5 -4.801 1.088 21.204 38 HD2 HIS 5 HD2 HIS 5 -1.290 2.540 22.892 39 HE1 HIS 5 HE1 HIS 5 -3.469 2.077 19.315 40 H HIS 6 HN HIS 6 -3.234 4.584 24.394 41 HA HIS 6 HA HIS 6 -5.853 5.699 24.722 42 HB2 HIS 6 HB2 HIS 6 -3.324 6.947 23.603 43 HB3 HIS 6 HB1 HIS 6 -4.801 7.815 23.973 44 HD1 HIS 6 HD1 HIS 6 -4.812 8.899 26.228 45 HD2 HIS 6 HD2 HIS 6 -2.156 5.722 26.014 46 HE1 HIS 6 HE1 HIS 6 -3.534 8.899 28.403 47 H HIS 7 HN HIS 7 -7.111 4.739 23.244 48 HA HIS 7 HA HIS 7 -6.324 4.594 20.486 49 HB2 HIS 7 HB2 HIS 7 -8.899 3.850 21.874 50 HB3 HIS 7 HB1 HIS 7 -8.688 3.740 20.132 51 HD1 HIS 7 HD1 HIS 7 -8.113 1.871 23.272 52 HD2 HIS 7 HD2 HIS 7 -6.704 1.822 19.358 53 HE1 HIS 7 HE1 HIS 7 -7.008 -0.347 22.958 54 H SER 8 HN SER 8 -9.409 5.747 21.654 55 HA SER 8 HA SER 8 -10.786 7.288 20.870 56 HB2 SER 8 HB2 SER 8 -9.291 8.645 22.351 57 HB3 SER 8 HB1 SER 8 -8.302 9.041 20.953 58 HG SER 8 HG SER 8 -10.775 9.955 21.737 59 H SER 9 HN SER 9 -8.475 9.128 19.043 60 HA SER 9 HA SER 9 -8.293 9.581 16.812 61 HB2 SER 9 HB2 SER 9 -8.141 6.557 16.771 62 HB3 SER 9 HB1 SER 9 -7.444 7.656 15.577 63 HG SER 9 HG SER 9 -6.772 7.424 18.319 64 H GLY 10 HN GLY 10 -9.065 7.723 14.612 65 HA2 GLY 10 HA2 GLY 10 -11.915 8.274 14.569 66 HA3 GLY 10 HA1 GLY 10 -10.901 7.844 13.188 67 H LEU 11 HN LEU 11 -11.063 6.318 16.346 68 HA LEU 11 HA LEU 11 -11.641 3.787 15.034 69 HB2 LEU 11 HB2 LEU 11 -9.659 3.897 16.530 70 HB3 LEU 11 HB1 LEU 11 -10.691 4.345 17.860 71 HG LEU 11 HG LEU 11 -11.081 1.683 16.492 72 HD11 LEU 11 HD11 LEU 11 -8.702 1.843 17.064 73 HD12 LEU 11 HD12 LEU 11 -9.544 0.698 18.107 74 HD13 LEU 11 HD13 LEU 11 -9.132 2.301 18.711 75 HD21 LEU 11 HD21 LEU 11 -11.876 1.023 18.716 76 HD22 LEU 11 HD22 LEU 11 -12.771 2.424 18.122 77 HD23 LEU 11 HD23 LEU 11 -11.508 2.634 19.334 78 H VAL 12 HN VAL 12 -12.769 5.732 17.819 79 HA VAL 12 HA VAL 12 -15.079 4.117 18.065 80 HB VAL 12 HB VAL 12 -14.616 6.914 19.232 81 HG11 VAL 12 HG11 VAL 12 -16.490 6.441 20.727 82 HG12 VAL 12 HG12 VAL 12 -16.781 4.914 19.897 83 HG13 VAL 12 HG13 VAL 12 -17.017 6.441 19.043 84 HG21 VAL 12 HG21 VAL 12 -13.067 5.238 20.080 85 HG22 VAL 12 HG22 VAL 12 -14.415 4.176 20.479 86 HG23 VAL 12 HG23 VAL 12 -14.222 5.708 21.329 87 HA PRO 13 HA PRO 13 -17.222 6.940 15.050 88 HB2 PRO 13 HB2 PRO 13 -16.057 9.303 14.213 89 HB3 PRO 13 HB1 PRO 13 -17.224 9.224 15.534 90 HG2 PRO 13 HG2 PRO 13 -14.366 9.769 15.633 91 HG3 PRO 13 HG1 PRO 13 -15.588 9.966 16.892 92 HD2 PRO 13 HD2 PRO 13 -13.641 7.852 16.594 93 HD3 PRO 13 HD1 PRO 13 -14.803 8.155 17.902 94 H ARG 14 HN ARG 14 -16.764 5.540 13.438 95 HA ARG 14 HA ARG 14 -14.136 4.797 12.817 96 HB2 ARG 14 HB2 ARG 14 -16.602 4.134 11.231 97 HB3 ARG 14 HB1 ARG 14 -15.061 3.294 11.161 98 HG2 ARG 14 HG2 ARG 14 -15.337 2.698 13.551 99 HG3 ARG 14 HG1 ARG 14 -16.946 3.407 13.514 100 HD2 ARG 14 HD2 ARG 14 -15.922 1.046 11.961 101 HD3 ARG 14 HD1 ARG 14 -17.175 1.061 13.199 102 HE ARG 14 HE ARG 14 -17.934 2.727 11.054 103 HH11 ARG 14 HH11 ARG 14 -17.766 -0.655 12.017 104 HH12 ARG 14 HH12 ARG 14 -18.728 -1.238 10.747 105 HH21 ARG 14 HH21 ARG 14 -19.303 1.957 9.317 106 HH22 ARG 14 HH22 ARG 14 -19.607 0.287 9.150 107 H GLY 15 HN GLY 15 -12.822 6.237 11.994 108 HA2 GLY 15 HA2 GLY 15 -13.439 7.207 9.266 109 HA3 GLY 15 HA1 GLY 15 -12.488 8.143 10.425 110 H SER 16 HN SER 16 -11.973 4.916 10.675 111 HA SER 16 HA SER 16 -9.385 5.089 9.317 112 HB2 SER 16 HB2 SER 16 -8.925 3.100 10.879 113 HB3 SER 16 HB1 SER 16 -9.101 4.694 11.622 114 HG SER 16 HG SER 16 -10.828 4.068 12.592 115 H ASP 17 HN ASP 17 -12.044 4.436 8.065 116 HA ASP 17 HA ASP 17 -12.566 1.802 7.714 117 HB2 ASP 17 HB2 ASP 17 -14.146 3.555 7.207 118 HB3 ASP 17 HB1 ASP 17 -13.076 4.199 5.967 119 H THR 18 HN THR 18 -11.158 0.487 7.107 120 HA THR 18 HA THR 18 -9.810 -0.758 5.894 121 HB THR 18 HB THR 18 -10.112 -0.801 3.492 122 HG1 THR 18 HG1 THR 18 -10.874 1.919 3.898 123 HG21 THR 18 HG21 THR 18 -12.594 -0.625 3.418 124 HG22 THR 18 HG22 THR 18 -12.456 0.288 4.952 125 HG23 THR 18 HG23 THR 18 -11.972 -1.405 4.904 126 H SER 19 HN SER 19 -8.928 1.970 6.895 127 HA SER 19 HA SER 19 -6.583 2.334 5.209 128 HB2 SER 19 HB2 SER 19 -7.645 4.077 7.428 129 HB3 SER 19 HB1 SER 19 -6.396 4.499 6.250 130 HG SER 19 HG SER 19 -8.901 3.640 5.336 131 H LYS 20 HN LYS 20 -7.538 1.566 8.573 132 HA LYS 20 HA LYS 20 -4.935 1.877 9.598 133 HB2 LYS 20 HB2 LYS 20 -5.653 1.066 11.684 134 HB3 LYS 20 HB1 LYS 20 -7.053 1.855 11.006 135 HG2 LYS 20 HG2 LYS 20 -6.643 -1.129 10.897 136 HG3 LYS 20 HG1 LYS 20 -7.421 -0.324 12.246 137 HD2 LYS 20 HD2 LYS 20 -9.152 0.522 10.693 138 HD3 LYS 20 HD1 LYS 20 -8.368 -0.359 9.374 139 HE2 LYS 20 HE2 LYS 20 -8.749 -2.462 10.459 140 HE3 LYS 20 HE1 LYS 20 -9.341 -1.669 11.916 141 HZ1 LYS 20 HZ1 LYS 20 -11.265 -0.913 10.661 142 HZ2 LYS 20 HZ2 LYS 20 -11.134 -2.572 10.567 143 HZ3 LYS 20 HZ3 LYS 20 -10.711 -1.639 9.259 144 H PHE 21 HN PHE 21 -6.101 -0.528 7.679 145 HA PHE 21 HA PHE 21 -4.654 -2.788 8.555 146 HB2 PHE 21 HB2 PHE 21 -5.570 -2.001 5.777 147 HB3 PHE 21 HB1 PHE 21 -4.907 -3.572 6.187 148 HD1 PHE 21 HD1 PHE 21 -7.835 -1.353 6.495 149 HD2 PHE 21 HD2 PHE 21 -6.193 -5.162 7.437 150 HE1 PHE 21 HE1 PHE 21 -10.078 -2.192 7.094 151 HE2 PHE 21 HE2 PHE 21 -8.435 -5.972 8.016 152 HZ PHE 21 HZ PHE 21 -10.368 -4.472 7.837 153 H TRP 22 HN TRP 22 -3.904 -0.270 6.172 154 HA TRP 22 HA TRP 22 -1.165 -1.273 6.151 155 HB2 TRP 22 HB2 TRP 22 -1.008 -0.084 3.904 156 HB3 TRP 22 HB1 TRP 22 -1.969 -1.551 3.980 157 HD1 TRP 22 HD1 TRP 22 -4.505 -1.367 3.344 158 HE1 TRP 22 HE1 TRP 22 -5.988 0.528 2.424 159 HE3 TRP 22 HE3 TRP 22 -1.350 2.604 4.067 160 HZ2 TRP 22 HZ2 TRP 22 -5.841 3.319 2.034 161 HZ3 TRP 22 HZ3 TRP 22 -2.119 4.839 3.398 162 HH2 TRP 22 HH2 TRP 22 -4.312 5.178 2.412 163 H TYR 23 HN TYR 23 -3.053 1.439 7.021 164 HA TYR 23 HA TYR 23 -0.755 3.178 6.746 165 HB2 TYR 23 HB2 TYR 23 -2.998 3.929 5.941 166 HB3 TYR 23 HB1 TYR 23 -3.550 3.914 7.611 167 HD1 TYR 23 HD1 TYR 23 -0.854 5.340 5.486 168 HD2 TYR 23 HD2 TYR 23 -3.410 5.900 8.835 169 HE1 TYR 23 HE1 TYR 23 -0.025 7.627 5.712 170 HE2 TYR 23 HE2 TYR 23 -2.586 8.204 9.080 171 HH TYR 23 HH TYR 23 -0.724 9.574 8.470 172 H LYS 24 HN LYS 24 0.593 3.218 8.288 173 HA LYS 24 HA LYS 24 -0.306 3.881 10.891 174 HB2 LYS 24 HB2 LYS 24 1.537 2.309 11.924 175 HB3 LYS 24 HB1 LYS 24 -0.067 1.689 11.613 176 HG2 LYS 24 HG2 LYS 24 1.944 1.305 9.475 177 HG3 LYS 24 HG1 LYS 24 2.205 0.417 10.980 178 HD2 LYS 24 HD2 LYS 24 -0.173 -0.391 10.802 179 HD3 LYS 24 HD1 LYS 24 -0.226 0.325 9.191 180 HE2 LYS 24 HE2 LYS 24 1.564 -1.129 8.446 181 HE3 LYS 24 HE1 LYS 24 1.788 -1.722 10.080 182 HZ1 LYS 24 HZ1 LYS 24 -0.711 -2.160 8.498 183 HZ2 LYS 24 HZ2 LYS 24 -0.347 -2.765 10.033 184 HZ3 LYS 24 HZ3 LYS 24 0.542 -3.252 8.696 185 HA PRO 25 HA PRO 25 2.804 6.655 9.425 186 HB2 PRO 25 HB2 PRO 25 1.930 8.816 10.692 187 HB3 PRO 25 HB1 PRO 25 1.046 8.125 9.329 188 HG2 PRO 25 HG2 PRO 25 0.535 7.809 12.266 189 HG3 PRO 25 HG1 PRO 25 -0.623 8.148 10.964 190 HD2 PRO 25 HD2 PRO 25 -0.224 5.664 11.999 191 HD3 PRO 25 HD1 PRO 25 -0.730 5.955 10.320 192 H HIS 26 HN HIS 26 2.709 5.263 12.438 193 HA HIS 26 HA HIS 26 4.614 7.176 13.555 194 HB2 HIS 26 HB2 HIS 26 3.149 4.896 14.873 195 HB3 HIS 26 HB1 HIS 26 4.403 5.832 15.667 196 HD1 HIS 26 HD1 HIS 26 3.757 8.116 16.594 197 HD2 HIS 26 HD2 HIS 26 0.760 6.368 14.310 198 HE1 HIS 26 HE1 HIS 26 1.692 9.493 16.965 199 H LEU 27 HN LEU 27 4.767 4.563 11.670 200 HA LEU 27 HA LEU 27 7.083 3.422 12.979 201 HB2 LEU 27 HB2 LEU 27 5.553 2.624 10.528 202 HB3 LEU 27 HB1 LEU 27 6.996 1.783 11.080 203 HG LEU 27 HG LEU 27 4.327 1.969 12.490 204 HD11 LEU 27 HD11 LEU 27 4.270 -0.443 12.153 205 HD12 LEU 27 HD12 LEU 27 5.801 -0.354 11.279 206 HD13 LEU 27 HD13 LEU 27 4.369 0.429 10.621 207 HD21 LEU 27 HD21 LEU 27 5.313 0.441 14.162 208 HD22 LEU 27 HD22 LEU 27 6.092 2.017 14.156 209 HD23 LEU 27 HD23 LEU 27 6.887 0.642 13.392 210 H SER 28 HN SER 28 9.060 3.718 12.340 211 HA SER 28 HA SER 28 9.568 5.696 10.289 212 HB2 SER 28 HB2 SER 28 10.623 5.921 12.542 213 HB3 SER 28 HB1 SER 28 11.458 4.389 12.272 214 HG SER 28 HG SER 28 12.755 6.215 11.780 215 H ARG 29 HN ARG 29 11.802 5.167 9.199 216 HA ARG 29 HA ARG 29 11.345 3.488 7.051 217 HB2 ARG 29 HB2 ARG 29 13.091 5.222 7.138 218 HB3 ARG 29 HB1 ARG 29 14.023 4.222 8.242 219 HG2 ARG 29 HG2 ARG 29 14.039 2.471 6.399 220 HG3 ARG 29 HG1 ARG 29 13.446 3.745 5.333 221 HD2 ARG 29 HD2 ARG 29 15.849 3.605 5.152 222 HD3 ARG 29 HD1 ARG 29 15.424 5.117 5.953 223 HE ARG 29 HE ARG 29 15.834 3.371 8.019 224 HH11 ARG 29 HH11 ARG 29 17.873 4.553 5.373 225 HH12 ARG 29 HH12 ARG 29 19.322 4.109 6.133 226 HH21 ARG 29 HH21 ARG 29 17.724 2.813 9.024 227 HH22 ARG 29 HH22 ARG 29 19.260 3.068 8.301 228 H ASP 30 HN ASP 30 13.488 2.838 9.772 229 HA ASP 30 HA ASP 30 14.181 0.222 8.998 230 HB2 ASP 30 HB2 ASP 30 14.434 1.609 11.671 231 HB3 ASP 30 HB1 ASP 30 15.117 0.029 11.302 232 H GLN 31 HN GLN 31 11.607 1.463 10.965 233 HA GLN 31 HA GLN 31 10.959 -1.055 12.181 234 HB2 GLN 31 HB2 GLN 31 9.279 1.434 11.932 235 HB3 GLN 31 HB1 GLN 31 8.960 0.064 12.986 236 HG2 GLN 31 HG2 GLN 31 11.013 0.533 14.205 237 HG3 GLN 31 HG1 GLN 31 11.310 1.925 13.162 238 HE21 GLN 31 HE21 GLN 31 9.383 0.631 15.704 239 HE22 GLN 31 HE22 GLN 31 8.588 2.108 16.114 240 H ALA 32 HN ALA 32 9.846 0.826 9.452 241 HA ALA 32 HA ALA 32 7.608 -0.685 8.722 242 HB1 ALA 32 HB1 ALA 32 8.183 1.517 7.822 243 HB2 ALA 32 HB2 ALA 32 7.890 0.350 6.519 244 HB3 ALA 32 HB3 ALA 32 9.542 0.810 6.953 245 H ILE 33 HN ILE 33 10.988 -0.959 7.877 246 HA ILE 33 HA ILE 33 10.809 -3.200 6.177 247 HB ILE 33 HB ILE 33 13.123 -2.209 7.872 248 HG12 ILE 33 HG12 ILE 33 12.567 -1.701 4.947 249 HG13 ILE 33 HG11 ILE 33 12.127 -0.586 6.239 250 HG21 ILE 33 HG21 ILE 33 14.567 -3.432 6.302 251 HG22 ILE 33 HG22 ILE 33 13.147 -4.051 5.467 252 HG23 ILE 33 HG23 ILE 33 13.466 -4.528 7.135 253 HD11 ILE 33 HD11 ILE 33 14.904 -1.489 5.542 254 HD12 ILE 33 HD12 ILE 33 14.446 -0.399 6.854 255 HD13 ILE 33 HD13 ILE 33 14.177 0.088 5.176 256 H ALA 34 HN ALA 34 11.373 -2.788 9.617 257 HA ALA 34 HA ALA 34 11.853 -5.454 10.288 258 HB1 ALA 34 HB1 ALA 34 10.605 -3.399 12.107 259 HB2 ALA 34 HB2 ALA 34 12.338 -3.585 11.806 260 HB3 ALA 34 HB3 ALA 34 11.433 -4.888 12.578 261 H LEU 35 HN LEU 35 8.830 -3.844 9.757 262 HA LEU 35 HA LEU 35 7.318 -6.146 10.616 263 HB2 LEU 35 HB2 LEU 35 6.574 -3.576 9.266 264 HB3 LEU 35 HB1 LEU 35 5.466 -4.921 9.167 265 HG LEU 35 HG LEU 35 4.768 -3.412 10.899 266 HD11 LEU 35 HD11 LEU 35 4.634 -4.911 12.811 267 HD12 LEU 35 HD12 LEU 35 5.861 -5.945 12.085 268 HD13 LEU 35 HD13 LEU 35 4.309 -5.729 11.285 269 HD21 LEU 35 HD21 LEU 35 6.099 -2.983 12.903 270 HD22 LEU 35 HD22 LEU 35 6.873 -2.362 11.447 271 HD23 LEU 35 HD23 LEU 35 7.459 -3.857 12.186 272 H LEU 36 HN LEU 36 8.122 -4.671 7.506 273 HA LEU 36 HA LEU 36 6.799 -6.549 5.918 274 HB2 LEU 36 HB2 LEU 36 8.997 -4.663 5.306 275 HB3 LEU 36 HB1 LEU 36 8.305 -5.697 4.085 276 HG LEU 36 HG LEU 36 6.925 -3.522 5.645 277 HD11 LEU 36 HD11 LEU 36 7.614 -3.842 2.750 278 HD12 LEU 36 HD12 LEU 36 8.363 -2.747 3.918 279 HD13 LEU 36 HD13 LEU 36 6.682 -2.518 3.447 280 HD21 LEU 36 HD21 LEU 36 5.765 -5.433 3.608 281 HD22 LEU 36 HD22 LEU 36 4.983 -3.979 4.210 282 HD23 LEU 36 HD23 LEU 36 5.310 -5.307 5.314 283 H LYS 37 HN LYS 37 9.922 -6.772 7.313 284 HA LYS 37 HA LYS 37 11.050 -8.597 5.568 285 HB2 LYS 37 HB2 LYS 37 12.429 -9.370 7.557 286 HB3 LYS 37 HB1 LYS 37 12.470 -7.647 7.204 287 HG2 LYS 37 HG2 LYS 37 10.831 -7.250 8.988 288 HG3 LYS 37 HG1 LYS 37 10.837 -8.971 9.360 289 HD2 LYS 37 HD2 LYS 37 13.350 -7.317 9.411 290 HD3 LYS 37 HD1 LYS 37 12.291 -7.439 10.814 291 HE2 LYS 37 HE2 LYS 37 13.534 -9.754 9.378 292 HE3 LYS 37 HE1 LYS 37 14.188 -9.027 10.844 293 HZ1 LYS 37 HZ1 LYS 37 11.472 -10.296 10.665 294 HZ2 LYS 37 HZ2 LYS 37 12.187 -9.667 12.038 295 HZ3 LYS 37 HZ3 LYS 37 12.847 -11.017 11.297 296 H ASP 38 HN ASP 38 8.701 -9.185 8.083 297 HA ASP 38 HA ASP 38 8.863 -12.030 7.447 298 HB2 ASP 38 HB2 ASP 38 7.501 -10.631 9.744 299 HB3 ASP 38 HB1 ASP 38 7.493 -12.374 9.489 300 H LYS 39 HN LYS 39 7.446 -9.543 6.218 301 HA LYS 39 HA LYS 39 4.789 -10.692 5.939 302 HB2 LYS 39 HB2 LYS 39 5.921 -8.074 4.938 303 HB3 LYS 39 HB1 LYS 39 4.281 -8.625 4.661 304 HG2 LYS 39 HG2 LYS 39 5.471 -8.068 7.374 305 HG3 LYS 39 HG1 LYS 39 4.426 -6.969 6.478 306 HD2 LYS 39 HD2 LYS 39 2.644 -8.653 6.521 307 HD3 LYS 39 HD1 LYS 39 3.687 -9.731 7.449 308 HE2 LYS 39 HE2 LYS 39 3.781 -8.114 9.255 309 HE3 LYS 39 HE1 LYS 39 2.793 -6.991 8.326 310 HZ1 LYS 39 HZ1 LYS 39 1.453 -8.188 9.947 311 HZ2 LYS 39 HZ2 LYS 39 1.931 -9.669 9.289 312 HZ3 LYS 39 HZ3 LYS 39 0.993 -8.612 8.378 313 H ASP 40 HN ASP 40 3.932 -10.918 3.802 314 HA ASP 40 HA ASP 40 5.817 -12.367 2.180 315 HB2 ASP 40 HB2 ASP 40 2.832 -11.969 1.838 316 HB3 ASP 40 HB1 ASP 40 3.830 -13.121 0.960 317 HA PRO 41 HA PRO 41 6.487 -9.242 -0.946 318 HB2 PRO 41 HB2 PRO 41 5.892 -11.474 -2.850 319 HB3 PRO 41 HB1 PRO 41 7.267 -10.360 -2.819 320 HG2 PRO 41 HG2 PRO 41 7.560 -12.858 -1.994 321 HG3 PRO 41 HG1 PRO 41 8.341 -11.519 -1.130 322 HD2 PRO 41 HD2 PRO 41 5.914 -13.089 -0.390 323 HD3 PRO 41 HD1 PRO 41 7.204 -12.435 0.644 324 H GLY 42 HN GLY 42 4.994 -7.800 -1.378 325 HA2 GLY 42 HA2 GLY 42 3.096 -7.279 -2.903 326 HA3 GLY 42 HA1 GLY 42 2.317 -8.711 -2.233 327 H ALA 43 HN ALA 43 3.554 -8.043 0.408 328 HA ALA 43 HA ALA 43 1.408 -6.430 1.404 329 HB1 ALA 43 HB1 ALA 43 2.274 -8.321 2.722 330 HB2 ALA 43 HB2 ALA 43 2.441 -6.804 3.610 331 HB3 ALA 43 HB3 ALA 43 3.841 -7.524 2.826 332 H PHE 44 HN PHE 44 1.608 -4.425 2.422 333 HA PHE 44 HA PHE 44 4.038 -2.889 2.055 334 HB2 PHE 44 HB2 PHE 44 2.911 -1.194 0.730 335 HB3 PHE 44 HB1 PHE 44 2.846 -2.732 -0.116 336 HD1 PHE 44 HD1 PHE 44 0.674 -4.068 -0.028 337 HD2 PHE 44 HD2 PHE 44 0.939 -0.008 1.226 338 HE1 PHE 44 HE1 PHE 44 -1.758 -3.845 -0.236 339 HE2 PHE 44 HE2 PHE 44 -1.493 0.213 1.022 340 HZ PHE 44 HZ PHE 44 -2.844 -1.703 0.295 341 H LEU 45 HN LEU 45 3.755 -0.772 3.078 342 HA LEU 45 HA LEU 45 1.331 -0.263 4.522 343 HB2 LEU 45 HB2 LEU 45 2.273 0.052 6.703 344 HB3 LEU 45 HB1 LEU 45 2.665 -1.573 6.199 345 HG LEU 45 HG LEU 45 4.646 0.708 6.060 346 HD11 LEU 45 HD11 LEU 45 4.243 -1.335 8.244 347 HD12 LEU 45 HD12 LEU 45 3.906 0.392 8.366 348 HD13 LEU 45 HD13 LEU 45 5.561 -0.168 8.143 349 HD21 LEU 45 HD21 LEU 45 4.984 -2.281 6.096 350 HD22 LEU 45 HD22 LEU 45 6.278 -1.087 5.994 351 HD23 LEU 45 HD23 LEU 45 5.119 -1.256 4.671 352 H ILE 46 HN ILE 46 1.167 1.886 5.159 353 HA ILE 46 HA ILE 46 3.176 3.590 3.921 354 HB ILE 46 HB ILE 46 0.170 4.070 4.042 355 HG12 ILE 46 HG12 ILE 46 2.095 3.670 1.750 356 HG13 ILE 46 HG11 ILE 46 0.893 2.519 2.306 357 HG21 ILE 46 HG21 ILE 46 1.389 6.163 4.441 358 HG22 ILE 46 HG22 ILE 46 0.620 6.176 2.853 359 HG23 ILE 46 HG23 ILE 46 2.354 5.879 2.992 360 HD11 ILE 46 HD11 ILE 46 0.285 3.646 0.250 361 HD12 ILE 46 HD12 ILE 46 0.293 5.208 1.082 362 HD13 ILE 46 HD13 ILE 46 -0.887 3.971 1.529 363 H ARG 47 HN ARG 47 4.082 4.992 5.110 364 HA ARG 47 HA ARG 47 3.088 5.445 7.838 365 HB2 ARG 47 HB2 ARG 47 5.450 5.430 8.562 366 HB3 ARG 47 HB1 ARG 47 4.977 3.882 7.863 367 HG2 ARG 47 HG2 ARG 47 6.054 4.468 5.772 368 HG3 ARG 47 HG1 ARG 47 6.468 6.054 6.420 369 HD2 ARG 47 HD2 ARG 47 7.867 4.969 8.122 370 HD3 ARG 47 HD1 ARG 47 7.456 3.399 7.431 371 HE ARG 47 HE ARG 47 8.773 3.841 5.587 372 HH11 ARG 47 HH11 ARG 47 8.825 6.639 7.828 373 HH12 ARG 47 HH12 ARG 47 10.151 7.369 7.054 374 HH21 ARG 47 HH21 ARG 47 10.622 4.902 4.572 375 HH22 ARG 47 HH22 ARG 47 11.159 6.387 5.172 376 H ASP 48 HN ASP 48 4.274 7.463 8.748 377 HA ASP 48 HA ASP 48 4.214 9.556 6.738 378 HB2 ASP 48 HB2 ASP 48 3.027 9.990 8.838 379 HB3 ASP 48 HB1 ASP 48 4.487 9.639 9.754 380 H SER 49 HN SER 49 6.052 10.666 6.142 381 HA SER 49 HA SER 49 8.491 9.442 7.170 382 HB2 SER 49 HB2 SER 49 7.888 10.421 4.400 383 HB3 SER 49 HB1 SER 49 9.427 9.721 4.933 384 HG SER 49 HG SER 49 7.354 8.230 5.675 385 H HIS 50 HN HIS 50 9.824 10.739 8.142 386 HA HIS 50 HA HIS 50 9.508 13.589 7.912 387 HB2 HIS 50 HB2 HIS 50 11.313 11.897 9.609 388 HB3 HIS 50 HB1 HIS 50 11.396 13.652 9.586 389 HD1 HIS 50 HD1 HIS 50 9.528 14.944 10.817 390 HD2 HIS 50 HD2 HIS 50 9.095 10.818 10.944 391 HE1 HIS 50 HE1 HIS 50 7.813 14.475 12.609 392 H SER 51 HN SER 51 9.968 13.616 5.915 393 HA SER 51 HA SER 51 12.805 13.943 5.297 394 HB2 SER 51 HB2 SER 51 12.099 11.700 4.425 395 HB3 SER 51 HB1 SER 51 10.854 12.496 3.467 396 HG SER 51 HG SER 51 13.378 13.522 3.065 397 H PHE 52 HN PHE 52 9.574 14.208 3.749 398 HA PHE 52 HA PHE 52 10.127 17.043 3.325 399 HB2 PHE 52 HB2 PHE 52 8.704 15.160 1.421 400 HB3 PHE 52 HB1 PHE 52 8.913 16.892 1.186 401 HD1 PHE 52 HD2 PHE 52 11.281 17.780 0.947 402 HD2 PHE 52 HD1 PHE 52 10.309 13.647 0.684 403 HE1 PHE 52 HE2 PHE 52 13.408 17.353 -0.202 404 HE2 PHE 52 HE1 PHE 52 12.430 13.211 -0.462 405 HZ PHE 52 HZ PHE 52 13.990 15.064 -0.914 406 H GLN 53 HN GLN 53 8.051 18.259 3.092 407 HA GLN 53 HA GLN 53 6.278 17.417 5.192 408 HB2 GLN 53 HB2 GLN 53 6.224 19.838 3.386 409 HB3 GLN 53 HB1 GLN 53 5.144 19.582 4.744 410 HG2 GLN 53 HG2 GLN 53 7.037 19.601 6.275 411 HG3 GLN 53 HG1 GLN 53 8.142 19.816 4.919 412 HE21 GLN 53 HE21 GLN 53 5.731 21.286 6.881 413 HE22 GLN 53 HE22 GLN 53 6.038 22.921 6.420 414 H GLY 54 HN GLY 54 4.568 16.197 4.934 415 HA2 GLY 54 HA2 GLY 54 2.593 15.408 4.033 416 HA3 GLY 54 HA1 GLY 54 2.796 16.527 2.689 417 H ALA 55 HN ALA 55 4.910 13.989 3.949 418 HA ALA 55 HA ALA 55 4.725 12.697 1.340 419 HB1 ALA 55 HB1 ALA 55 6.851 13.876 1.506 420 HB2 ALA 55 HB2 ALA 55 7.096 12.128 1.516 421 HB3 ALA 55 HB3 ALA 55 7.208 13.045 3.022 422 H TYR 56 HN TYR 56 3.892 10.823 1.546 423 HA TYR 56 HA TYR 56 4.115 9.400 4.099 424 HB2 TYR 56 HB2 TYR 56 2.237 8.881 1.782 425 HB3 TYR 56 HB1 TYR 56 2.208 8.096 3.352 426 HD1 TYR 56 HD2 TYR 56 1.789 9.650 5.401 427 HD2 TYR 56 HD1 TYR 56 0.914 10.721 1.381 428 HE1 TYR 56 HE2 TYR 56 0.198 11.350 6.203 429 HE2 TYR 56 HE1 TYR 56 -0.669 12.419 2.169 430 HH TYR 56 HH TYR 56 -2.022 12.862 4.129 431 H GLY 57 HN GLY 57 5.568 7.848 4.083 432 HA2 GLY 57 HA2 GLY 57 6.647 7.053 1.530 433 HA3 GLY 57 HA1 GLY 57 7.385 6.709 3.074 434 H LEU 58 HN LEU 58 6.075 5.305 0.548 435 HA LEU 58 HA LEU 58 4.481 3.297 1.897 436 HB2 LEU 58 HB2 LEU 58 3.609 4.134 -0.182 437 HB3 LEU 58 HB1 LEU 58 5.147 3.884 -0.980 438 HG LEU 58 HG LEU 58 4.807 1.413 -0.536 439 HD11 LEU 58 HD11 LEU 58 3.133 1.484 1.130 440 HD12 LEU 58 HD12 LEU 58 2.560 0.617 -0.300 441 HD13 LEU 58 HD13 LEU 58 2.013 2.261 0.008 442 HD21 LEU 58 HD21 LEU 58 2.948 2.838 -2.406 443 HD22 LEU 58 HD22 LEU 58 3.372 1.119 -2.449 444 HD23 LEU 58 HD23 LEU 58 4.621 2.336 -2.714 445 H ALA 59 HN ALA 59 5.422 1.525 2.548 446 HA ALA 59 HA ALA 59 8.000 0.773 1.382 447 HB1 ALA 59 HB1 ALA 59 6.776 0.017 4.040 448 HB2 ALA 59 HB2 ALA 59 8.078 1.184 3.796 449 HB3 ALA 59 HB3 ALA 59 8.344 -0.524 3.446 450 H LEU 60 HN LEU 60 7.928 -0.877 0.073 451 HA LEU 60 HA LEU 60 5.627 -2.722 0.153 452 HB2 LEU 60 HB2 LEU 60 5.619 -1.323 -1.810 453 HB3 LEU 60 HB1 LEU 60 7.291 -1.709 -2.142 454 HG LEU 60 HG LEU 60 6.603 -4.063 -2.583 455 HD11 LEU 60 HD11 LEU 60 3.821 -2.945 -2.368 456 HD12 LEU 60 HD12 LEU 60 4.555 -4.149 -1.305 457 HD13 LEU 60 HD13 LEU 60 4.238 -4.538 -2.997 458 HD21 LEU 60 HD21 LEU 60 5.306 -1.916 -4.249 459 HD22 LEU 60 HD22 LEU 60 5.604 -3.571 -4.775 460 HD23 LEU 60 HD23 LEU 60 6.961 -2.511 -4.393 461 H LYS 61 HN LYS 61 6.135 -4.779 0.590 462 HA LYS 61 HA LYS 61 8.910 -5.627 0.558 463 HB2 LYS 61 HB2 LYS 61 7.505 -6.229 2.480 464 HB3 LYS 61 HB1 LYS 61 6.377 -7.030 1.419 465 HG2 LYS 61 HG2 LYS 61 7.849 -8.595 2.679 466 HG3 LYS 61 HG1 LYS 61 7.980 -8.783 0.916 467 HD2 LYS 61 HD2 LYS 61 10.061 -7.480 1.027 468 HD3 LYS 61 HD1 LYS 61 9.867 -7.341 2.778 469 HE2 LYS 61 HE2 LYS 61 10.216 -9.896 1.202 470 HE3 LYS 61 HE1 LYS 61 11.411 -9.144 2.252 471 HZ1 LYS 61 HZ1 LYS 61 8.823 -10.374 3.118 472 HZ2 LYS 61 HZ2 LYS 61 9.799 -9.473 4.113 473 HZ3 LYS 61 HZ3 LYS 61 10.391 -10.906 3.457 474 H VAL 62 HN VAL 62 9.720 -6.402 -1.280 475 HA VAL 62 HA VAL 62 7.938 -7.932 -3.045 476 HB VAL 62 HB VAL 62 9.475 -7.464 -4.881 477 HG11 VAL 62 HG11 VAL 62 8.624 -4.956 -3.456 478 HG12 VAL 62 HG12 VAL 62 7.664 -5.897 -4.598 479 HG13 VAL 62 HG13 VAL 62 9.100 -5.037 -5.149 480 HG21 VAL 62 HG21 VAL 62 11.334 -5.853 -4.654 481 HG22 VAL 62 HG22 VAL 62 11.576 -7.292 -3.665 482 HG23 VAL 62 HG23 VAL 62 11.044 -5.786 -2.914 483 H ALA 63 HN ALA 63 9.199 -9.641 -4.285 484 HA ALA 63 HA ALA 63 10.350 -11.400 -2.397 485 HB1 ALA 63 HB1 ALA 63 10.378 -11.528 -5.422 486 HB2 ALA 63 HB2 ALA 63 9.156 -12.237 -4.364 487 HB3 ALA 63 HB3 ALA 63 10.808 -12.849 -4.339 488 H THR 64 HN THR 64 11.716 -9.845 -5.262 489 HA THR 64 HA THR 64 14.110 -9.069 -3.916 490 HB THR 64 HB THR 64 15.507 -10.109 -5.801 491 HG1 THR 64 HG1 THR 64 14.083 -10.862 -7.171 492 HG21 THR 64 HG21 THR 64 14.377 -12.004 -3.728 493 HG22 THR 64 HG22 THR 64 15.763 -10.931 -3.516 494 HG23 THR 64 HG23 THR 64 15.856 -12.277 -4.651 495 HA PRO 65 HA PRO 65 13.478 -5.902 -7.047 496 HB2 PRO 65 HB2 PRO 65 16.401 -5.417 -6.703 497 HB3 PRO 65 HB1 PRO 65 15.062 -4.264 -6.572 498 HG2 PRO 65 HG2 PRO 65 16.331 -5.144 -4.429 499 HG3 PRO 65 HG1 PRO 65 14.567 -4.918 -4.388 500 HD2 PRO 65 HD2 PRO 65 16.174 -7.441 -4.694 501 HD3 PRO 65 HD1 PRO 65 14.707 -7.146 -3.706 502 HA PRO 66 HA PRO 66 16.602 -7.948 -10.252 503 HB2 PRO 66 HB2 PRO 66 17.968 -10.156 -9.383 504 HB3 PRO 66 HB1 PRO 66 18.593 -8.518 -9.080 505 HG2 PRO 66 HG2 PRO 66 16.848 -10.098 -7.303 506 HG3 PRO 66 HG1 PRO 66 18.492 -9.495 -6.930 507 HD2 PRO 66 HD2 PRO 66 16.424 -8.249 -6.213 508 HD3 PRO 66 HD1 PRO 66 17.719 -7.274 -6.983 509 HA PRO 67 HA PRO 67 13.265 -10.887 -10.857 510 HB2 PRO 67 HB2 PRO 67 14.771 -12.169 -13.021 511 HB3 PRO 67 HB1 PRO 67 13.269 -11.243 -13.110 512 HG2 PRO 67 HG2 PRO 67 15.597 -10.290 -14.077 513 HG3 PRO 67 HG1 PRO 67 14.380 -9.232 -13.349 514 HD2 PRO 67 HD2 PRO 67 16.917 -10.295 -12.132 515 HD3 PRO 67 HD1 PRO 67 16.193 -8.671 -12.033 516 H SER 68 HN SER 68 16.484 -12.334 -11.205 517 HA SER 68 HA SER 68 15.410 -14.828 -10.143 518 HB2 SER 68 HB2 SER 68 17.572 -15.761 -11.037 519 HB3 SER 68 HB1 SER 68 16.450 -15.140 -12.253 520 HG SER 68 HG SER 68 18.150 -14.140 -12.850 521 H ALA 69 HN ALA 69 18.057 -12.540 -9.834 522 HA ALA 69 HA ALA 69 19.430 -11.939 -8.217 523 HB1 ALA 69 HB1 ALA 69 17.520 -11.767 -6.754 524 HB2 ALA 69 HB2 ALA 69 18.889 -12.402 -5.843 525 HB3 ALA 69 HB3 ALA 69 17.595 -13.487 -6.369 526 H GLN 70 HN GLN 70 19.634 -14.467 -9.722 527 HA GLN 70 HA GLN 70 20.910 -16.348 -8.065 528 HB2 GLN 70 HB2 GLN 70 19.965 -17.042 -10.218 529 HB3 GLN 70 HB1 GLN 70 21.159 -16.078 -11.072 530 HG2 GLN 70 HG2 GLN 70 22.935 -17.473 -10.303 531 HG3 GLN 70 HG1 GLN 70 21.851 -18.337 -9.222 532 HE21 GLN 70 HE21 GLN 70 20.928 -17.443 -12.478 533 HE22 GLN 70 HE22 GLN 70 20.942 -19.038 -13.102 534 HA PRO 71 HA PRO 71 25.096 -14.072 -9.169 535 HB2 PRO 71 HB2 PRO 71 23.819 -11.392 -9.564 536 HB3 PRO 71 HB1 PRO 71 25.294 -12.029 -10.305 537 HG2 PRO 71 HG2 PRO 71 23.061 -11.827 -11.725 538 HG3 PRO 71 HG1 PRO 71 24.125 -13.232 -11.908 539 HD2 PRO 71 HD2 PRO 71 21.510 -13.008 -10.481 540 HD3 PRO 71 HD1 PRO 71 22.188 -14.353 -11.421 541 H TRP 72 HN TRP 72 25.735 -13.826 -7.123 542 HA TRP 72 HA TRP 72 24.147 -14.211 -5.036 543 HB2 TRP 72 HB2 TRP 72 26.564 -14.499 -4.997 544 HB3 TRP 72 HB1 TRP 72 26.750 -12.748 -4.936 545 HD1 TRP 72 HD1 TRP 72 26.305 -11.552 -2.707 546 HE1 TRP 72 HE1 TRP 72 26.022 -12.354 -0.281 547 HE3 TRP 72 HE3 TRP 72 25.636 -16.509 -3.611 548 HZ2 TRP 72 HZ2 TRP 72 25.573 -14.803 1.077 549 HZ3 TRP 72 HZ3 TRP 72 25.288 -18.030 -1.705 550 HH2 TRP 72 HH2 TRP 72 25.258 -17.192 0.590 551 H LYS 73 HN LYS 73 22.879 -13.336 -3.765 552 HA LYS 73 HA LYS 73 22.825 -10.485 -3.319 553 HB2 LYS 73 HB2 LYS 73 20.429 -12.115 -4.162 554 HB3 LYS 73 HB1 LYS 73 20.305 -10.505 -3.473 555 HG2 LYS 73 HG2 LYS 73 21.737 -11.166 -6.042 556 HG3 LYS 73 HG1 LYS 73 20.086 -10.555 -5.943 557 HD2 LYS 73 HD2 LYS 73 20.870 -8.501 -4.926 558 HD3 LYS 73 HD1 LYS 73 22.514 -9.132 -4.855 559 HE2 LYS 73 HE2 LYS 73 20.945 -8.663 -7.383 560 HE3 LYS 73 HE1 LYS 73 22.164 -7.567 -6.731 561 HZ1 LYS 73 HZ1 LYS 73 23.086 -8.977 -8.449 562 HZ2 LYS 73 HZ2 LYS 73 22.645 -10.373 -7.610 563 HZ3 LYS 73 HZ3 LYS 73 23.803 -9.326 -6.967 564 H GLY 74 HN GLY 74 23.850 -11.411 -1.519 565 HA2 GLY 74 HA2 GLY 74 21.994 -12.511 0.494 566 HA3 GLY 74 HA1 GLY 74 23.762 -12.582 0.597 567 H ASP 75 HN ASP 75 21.504 -10.071 -0.168 568 HA ASP 75 HA ASP 75 22.939 -8.180 1.537 569 HB2 ASP 75 HB2 ASP 75 22.571 -7.729 -0.916 570 HB3 ASP 75 HB1 ASP 75 20.843 -7.734 -0.601 571 HA PRO 76 HA PRO 76 19.792 -8.248 4.675 572 HB2 PRO 76 HB2 PRO 76 19.433 -5.472 4.936 573 HB3 PRO 76 HB1 PRO 76 20.557 -6.484 5.845 574 HG2 PRO 76 HG2 PRO 76 21.049 -4.800 3.441 575 HG3 PRO 76 HG1 PRO 76 22.108 -5.121 4.824 576 HD2 PRO 76 HD2 PRO 76 22.527 -6.295 2.482 577 HD3 PRO 76 HD1 PRO 76 22.767 -7.203 3.990 578 H VAL 77 HN VAL 77 17.622 -7.814 5.098 579 HA VAL 77 HA VAL 77 15.913 -7.940 2.887 580 HB VAL 77 HB VAL 77 15.450 -8.949 5.096 581 HG11 VAL 77 HG11 VAL 77 16.177 -7.158 6.535 582 HG12 VAL 77 HG12 VAL 77 14.531 -7.640 6.928 583 HG13 VAL 77 HG13 VAL 77 14.822 -6.156 6.014 584 HG21 VAL 77 HG21 VAL 77 13.046 -8.519 5.171 585 HG22 VAL 77 HG22 VAL 77 13.615 -8.695 3.508 586 HG23 VAL 77 HG23 VAL 77 13.265 -7.092 4.158 587 H GLU 78 HN GLU 78 17.320 -5.243 4.281 588 HA GLU 78 HA GLU 78 15.349 -3.282 4.021 589 HB2 GLU 78 HB2 GLU 78 18.327 -2.934 3.688 590 HB3 GLU 78 HB1 GLU 78 17.161 -1.673 4.060 591 HG2 GLU 78 HG2 GLU 78 16.633 -2.957 6.167 592 HG3 GLU 78 HG1 GLU 78 18.045 -3.945 5.806 593 H GLN 79 HN GLN 79 17.406 -4.845 1.661 594 HA GLN 79 HA GLN 79 16.851 -2.914 -0.402 595 HB2 GLN 79 HB2 GLN 79 18.891 -4.365 -0.415 596 HB3 GLN 79 HB1 GLN 79 17.850 -5.748 -0.731 597 HG2 GLN 79 HG2 GLN 79 17.032 -4.548 -2.753 598 HG3 GLN 79 HG1 GLN 79 18.290 -3.360 -2.491 599 HE21 GLN 79 HE21 GLN 79 20.192 -5.464 -1.543 600 HE22 GLN 79 HE22 GLN 79 20.698 -6.245 -2.995 601 H LEU 80 HN LEU 80 15.494 -5.888 0.752 602 HA LEU 80 HA LEU 80 13.867 -6.473 -1.529 603 HB2 LEU 80 HB2 LEU 80 13.568 -7.492 1.299 604 HB3 LEU 80 HB1 LEU 80 12.849 -8.192 -0.135 605 HG LEU 80 HG LEU 80 15.788 -8.127 0.557 606 HD11 LEU 80 HD11 LEU 80 15.565 -10.556 0.658 607 HD12 LEU 80 HD12 LEU 80 13.833 -10.406 0.385 608 HD13 LEU 80 HD13 LEU 80 14.556 -9.745 1.854 609 HD21 LEU 80 HD21 LEU 80 16.118 -9.494 -1.456 610 HD22 LEU 80 HD22 LEU 80 15.509 -7.891 -1.854 611 HD23 LEU 80 HD23 LEU 80 14.417 -9.278 -1.871 612 H VAL 81 HN VAL 81 13.589 -4.482 1.174 613 HA VAL 81 HA VAL 81 10.755 -4.040 0.714 614 HB VAL 81 HB VAL 81 12.648 -2.869 2.784 615 HG11 VAL 81 HG11 VAL 81 9.685 -2.440 2.395 616 HG12 VAL 81 HG12 VAL 81 10.945 -1.221 2.212 617 HG13 VAL 81 HG13 VAL 81 10.599 -1.902 3.805 618 HG21 VAL 81 HG21 VAL 81 10.363 -4.822 3.027 619 HG22 VAL 81 HG22 VAL 81 11.288 -4.169 4.377 620 HG23 VAL 81 HG23 VAL 81 12.077 -5.205 3.185 621 H ARG 82 HN ARG 82 10.191 -2.600 -0.700 622 HA ARG 82 HA ARG 82 12.213 -0.718 -1.677 623 HB2 ARG 82 HB2 ARG 82 9.526 -1.291 -2.902 624 HB3 ARG 82 HB1 ARG 82 10.894 -0.487 -3.642 625 HG2 ARG 82 HG2 ARG 82 10.677 -3.417 -2.975 626 HG3 ARG 82 HG1 ARG 82 10.681 -2.689 -4.580 627 HD2 ARG 82 HD2 ARG 82 12.945 -2.638 -2.602 628 HD3 ARG 82 HD1 ARG 82 12.830 -3.694 -4.015 629 HE ARG 82 HE ARG 82 12.725 -1.462 -5.255 630 HH11 ARG 82 HH11 ARG 82 14.734 -2.153 -2.412 631 HH12 ARG 82 HH12 ARG 82 15.882 -0.947 -2.717 632 HH21 ARG 82 HH21 ARG 82 14.379 0.144 -5.775 633 HH22 ARG 82 HH22 ARG 82 15.700 0.379 -4.738 634 H HIS 83 HN HIS 83 12.014 1.328 -1.236 635 HA HIS 83 HA HIS 83 9.528 2.272 -0.015 636 HB2 HIS 83 HB2 HIS 83 12.372 3.014 0.459 637 HB3 HIS 83 HB1 HIS 83 11.170 4.285 0.598 638 HD1 HIS 83 HD1 HIS 83 12.612 1.405 2.471 639 HD2 HIS 83 HD2 HIS 83 9.261 3.866 2.672 640 HE1 HIS 83 HE1 HIS 83 11.708 1.169 4.798 641 H PHE 84 HN PHE 84 8.309 3.514 -1.088 642 HA PHE 84 HA PHE 84 9.385 5.395 -3.077 643 HB2 PHE 84 HB2 PHE 84 6.847 3.724 -3.289 644 HB3 PHE 84 HB1 PHE 84 7.273 5.016 -4.393 645 HD1 PHE 84 HD1 PHE 84 9.071 4.706 -6.021 646 HD2 PHE 84 HD2 PHE 84 7.889 1.580 -3.399 647 HE1 PHE 84 HE1 PHE 84 10.272 3.086 -7.430 648 HE2 PHE 84 HE2 PHE 84 9.105 -0.056 -4.797 649 HZ PHE 84 HZ PHE 84 10.289 0.701 -6.816 650 H LEU 85 HN LEU 85 8.587 7.437 -2.714 651 HA LEU 85 HA LEU 85 6.755 7.459 -0.477 652 HB2 LEU 85 HB2 LEU 85 7.617 9.605 0.206 653 HB3 LEU 85 HB1 LEU 85 8.911 8.445 0.057 654 HG LEU 85 HG LEU 85 9.218 9.584 -2.302 655 HD11 LEU 85 HD11 LEU 85 7.278 10.979 -2.166 656 HD12 LEU 85 HD12 LEU 85 8.739 11.993 -2.183 657 HD13 LEU 85 HD13 LEU 85 7.868 11.688 -0.666 658 HD21 LEU 85 HD21 LEU 85 10.872 9.501 -0.550 659 HD22 LEU 85 HD22 LEU 85 10.078 10.841 0.292 660 HD23 LEU 85 HD23 LEU 85 10.827 11.101 -1.294 661 H ILE 86 HN ILE 86 5.009 8.637 -0.392 662 HA ILE 86 HA ILE 86 3.927 9.479 -2.953 663 HB ILE 86 HB ILE 86 2.565 8.836 -0.330 664 HG12 ILE 86 HG12 ILE 86 2.765 7.199 -2.850 665 HG13 ILE 86 HG11 ILE 86 3.678 6.880 -1.383 666 HG21 ILE 86 HG21 ILE 86 0.513 8.813 -1.688 667 HG22 ILE 86 HG22 ILE 86 1.450 9.345 -3.088 668 HG23 ILE 86 HG23 ILE 86 1.297 10.388 -1.671 669 HD11 ILE 86 HD11 ILE 86 1.580 6.452 -0.202 670 HD12 ILE 86 HD12 ILE 86 1.779 5.383 -1.591 671 HD13 ILE 86 HD13 ILE 86 0.685 6.766 -1.687 672 H GLU 87 HN GLU 87 3.592 11.553 -3.246 673 HA GLU 87 HA GLU 87 4.009 13.390 -1.002 674 HB2 GLU 87 HB2 GLU 87 3.989 13.904 -3.965 675 HB3 GLU 87 HB1 GLU 87 4.380 15.057 -2.696 676 HG2 GLU 87 HG2 GLU 87 6.343 13.773 -2.163 677 HG3 GLU 87 HG1 GLU 87 5.923 12.610 -3.428 678 H THR 88 HN THR 88 2.439 14.830 -0.528 679 HA THR 88 HA THR 88 0.253 15.063 -2.399 680 HB THR 88 HB THR 88 -0.738 13.791 -0.615 681 HG1 THR 88 HG1 THR 88 -1.571 16.391 0.088 682 HG21 THR 88 HG21 THR 88 0.881 14.092 1.120 683 HG22 THR 88 HG22 THR 88 -0.708 14.544 1.756 684 HG23 THR 88 HG23 THR 88 0.459 15.794 1.299 685 H GLY 89 HN GLY 89 -0.190 17.043 -2.939 686 HA2 GLY 89 HA2 GLY 89 0.413 19.312 -1.339 687 HA3 GLY 89 HA1 GLY 89 1.648 19.061 -2.562 688 HA PRO 90 HA PRO 90 -1.354 21.737 -4.667 689 HB2 PRO 90 HB2 PRO 90 0.353 22.753 -6.474 690 HB3 PRO 90 HB1 PRO 90 0.358 23.283 -4.783 691 HG2 PRO 90 HG2 PRO 90 2.147 21.318 -6.167 692 HG3 PRO 90 HG1 PRO 90 2.578 22.623 -5.047 693 HD2 PRO 90 HD2 PRO 90 2.371 20.036 -4.278 694 HD3 PRO 90 HD1 PRO 90 2.003 21.388 -3.187 695 H LYS 91 HN LYS 91 0.011 18.946 -5.654 696 HA LYS 91 HA LYS 91 -1.132 19.133 -8.336 697 HB2 LYS 91 HB2 LYS 91 0.990 17.350 -7.263 698 HB3 LYS 91 HB1 LYS 91 0.239 17.122 -8.848 699 HG2 LYS 91 HG2 LYS 91 0.807 19.441 -9.392 700 HG3 LYS 91 HG1 LYS 91 1.688 19.544 -7.869 701 HD2 LYS 91 HD2 LYS 91 3.122 17.804 -8.543 702 HD3 LYS 91 HD1 LYS 91 2.183 17.575 -10.033 703 HE2 LYS 91 HE2 LYS 91 2.567 19.885 -10.599 704 HE3 LYS 91 HE1 LYS 91 3.625 20.072 -9.215 705 HZ1 LYS 91 HZ1 LYS 91 5.104 18.311 -10.219 706 HZ2 LYS 91 HZ2 LYS 91 5.005 19.689 -11.157 707 HZ3 LYS 91 HZ3 LYS 91 4.132 18.331 -11.600 708 H GLY 92 HN GLY 92 -1.316 17.626 -5.330 709 HA2 GLY 92 HA2 GLY 92 -3.469 16.522 -4.785 710 HA3 GLY 92 HA1 GLY 92 -3.206 15.557 -6.243 711 H VAL 93 HN VAL 93 -3.195 13.664 -4.948 712 HA VAL 93 HA VAL 93 -0.672 13.404 -3.515 713 HB VAL 93 HB VAL 93 -2.759 12.932 -2.180 714 HG11 VAL 93 HG11 VAL 93 -3.061 10.557 -3.977 715 HG12 VAL 93 HG12 VAL 93 -4.148 11.936 -3.863 716 HG13 VAL 93 HG13 VAL 93 -3.963 10.841 -2.489 717 HG21 VAL 93 HG21 VAL 93 -0.637 12.000 -1.520 718 HG22 VAL 93 HG22 VAL 93 -0.935 10.590 -2.538 719 HG23 VAL 93 HG23 VAL 93 -1.967 10.903 -1.138 720 H LYS 94 HN LYS 94 0.849 12.101 -4.294 721 HA LYS 94 HA LYS 94 0.318 10.132 -6.322 722 HB2 LYS 94 HB2 LYS 94 1.911 11.493 -7.948 723 HB3 LYS 94 HB1 LYS 94 0.174 11.727 -7.942 724 HG2 LYS 94 HG2 LYS 94 1.112 13.881 -8.023 725 HG3 LYS 94 HG1 LYS 94 0.551 13.682 -6.362 726 HD2 LYS 94 HD2 LYS 94 2.651 14.797 -6.311 727 HD3 LYS 94 HD1 LYS 94 2.952 13.136 -5.805 728 HE2 LYS 94 HE2 LYS 94 3.743 12.532 -7.948 729 HE3 LYS 94 HE1 LYS 94 3.237 14.050 -8.639 730 HZ1 LYS 94 HZ1 LYS 94 5.646 13.992 -8.241 731 HZ2 LYS 94 HZ2 LYS 94 5.407 13.857 -6.573 732 HZ3 LYS 94 HZ3 LYS 94 4.890 15.219 -7.395 733 H ILE 95 HN ILE 95 2.140 8.899 -6.996 734 HA ILE 95 HA ILE 95 4.091 8.658 -4.879 735 HB ILE 95 HB ILE 95 3.709 6.952 -7.373 736 HG12 ILE 95 HG12 ILE 95 2.792 6.455 -4.536 737 HG13 ILE 95 HG11 ILE 95 1.728 6.933 -5.861 738 HG21 ILE 95 HG21 ILE 95 5.290 6.405 -4.853 739 HG22 ILE 95 HG22 ILE 95 5.965 6.742 -6.446 740 HG23 ILE 95 HG23 ILE 95 5.038 5.265 -6.177 741 HD11 ILE 95 HD11 ILE 95 1.552 4.568 -5.378 742 HD12 ILE 95 HD12 ILE 95 3.290 4.369 -5.608 743 HD13 ILE 95 HD13 ILE 95 2.265 4.804 -6.974 744 H LYS 96 HN LYS 96 6.177 9.212 -4.985 745 HA LYS 96 HA LYS 96 7.154 10.500 -7.390 746 HB2 LYS 96 HB2 LYS 96 7.566 11.765 -5.382 747 HB3 LYS 96 HB1 LYS 96 8.200 10.352 -4.559 748 HG2 LYS 96 HG2 LYS 96 10.198 10.382 -5.817 749 HG3 LYS 96 HG1 LYS 96 9.545 11.551 -6.960 750 HD2 LYS 96 HD2 LYS 96 9.893 12.165 -4.049 751 HD3 LYS 96 HD1 LYS 96 11.207 12.427 -5.217 752 HE2 LYS 96 HE2 LYS 96 8.480 13.713 -5.092 753 HE3 LYS 96 HE1 LYS 96 10.048 14.483 -4.889 754 HZ1 LYS 96 HZ1 LYS 96 10.518 13.947 -7.245 755 HZ2 LYS 96 HZ2 LYS 96 9.238 14.992 -7.026 756 HZ3 LYS 96 HZ3 LYS 96 8.922 13.387 -7.416 757 H GLY 97 HN GLY 97 8.917 9.805 -8.572 758 HA2 GLY 97 HA2 GLY 97 10.812 8.329 -8.837 759 HA3 GLY 97 HA1 GLY 97 9.917 7.105 -7.940 760 H CYS 98 HN CYS 98 7.792 8.723 -9.846 761 HA CYS 98 HA CYS 98 8.167 7.020 -12.156 762 HB2 CYS 98 HB2 CYS 98 6.761 5.808 -10.600 763 HB3 CYS 98 HB1 CYS 98 5.702 7.195 -10.449 764 HG CYS 98 HG CYS 98 4.421 5.324 -11.767 765 HA PRO 99 HA PRO 99 6.282 10.841 -13.776 766 HB2 PRO 99 HB2 PRO 99 6.852 10.278 -16.420 767 HB3 PRO 99 HB1 PRO 99 7.995 11.001 -15.292 768 HG2 PRO 99 HG2 PRO 99 8.164 8.413 -16.511 769 HG3 PRO 99 HG1 PRO 99 9.263 9.117 -15.318 770 HD2 PRO 99 HD2 PRO 99 7.005 7.230 -14.939 771 HD3 PRO 99 HD1 PRO 99 8.483 7.397 -13.978 772 H SER 100 HN SER 100 5.198 7.737 -14.103 773 HA SER 100 HA SER 100 3.146 8.252 -16.128 774 HB2 SER 100 HB2 SER 100 3.871 5.780 -14.661 775 HB3 SER 100 HB1 SER 100 2.887 5.876 -16.123 776 HG SER 100 HG SER 100 5.533 5.615 -15.997 777 H GLU 101 HN GLU 101 3.537 8.324 -12.790 778 HA GLU 101 HA GLU 101 1.147 7.008 -12.038 779 HB2 GLU 101 HB2 GLU 101 3.260 7.298 -10.662 780 HB3 GLU 101 HB1 GLU 101 2.753 8.964 -10.415 781 HG2 GLU 101 HG2 GLU 101 2.099 7.696 -8.531 782 HG3 GLU 101 HG1 GLU 101 0.660 8.130 -9.484 783 HA PRO 102 HA PRO 102 -1.368 10.644 -12.872 784 HB2 PRO 102 HB2 PRO 102 -3.602 9.328 -11.620 785 HB3 PRO 102 HB1 PRO 102 -3.334 9.634 -13.332 786 HG2 PRO 102 HG2 PRO 102 -3.300 7.153 -12.129 787 HG3 PRO 102 HG1 PRO 102 -2.566 7.534 -13.696 788 HD2 PRO 102 HD2 PRO 102 -1.300 7.153 -11.041 789 HD3 PRO 102 HD1 PRO 102 -0.673 6.850 -12.676 790 H TYR 103 HN TYR 103 -3.217 11.737 -11.466 791 HA TYR 103 HA TYR 103 -2.045 12.108 -8.811 792 HB2 TYR 103 HB2 TYR 103 -3.558 14.075 -10.544 793 HB3 TYR 103 HB1 TYR 103 -2.907 14.420 -8.943 794 HD1 TYR 103 HD1 TYR 103 -2.097 13.888 -12.470 795 HD2 TYR 103 HD2 TYR 103 -0.510 14.675 -8.616 796 HE1 TYR 103 HE1 TYR 103 0.033 14.485 -13.482 797 HE2 TYR 103 HE2 TYR 103 1.631 15.290 -9.607 798 HH TYR 103 HH TYR 103 2.002 15.937 -12.850 799 H PHE 104 HN PHE 104 -3.249 11.436 -7.221 800 HA PHE 104 HA PHE 104 -6.087 10.923 -7.737 801 HB2 PHE 104 HB2 PHE 104 -4.252 9.734 -5.641 802 HB3 PHE 104 HB1 PHE 104 -5.927 9.278 -5.933 803 HD1 PHE 104 HD2 PHE 104 -2.471 9.031 -7.146 804 HD2 PHE 104 HD1 PHE 104 -6.514 7.888 -7.847 805 HE1 PHE 104 HE2 PHE 104 -1.711 7.321 -8.739 806 HE2 PHE 104 HE1 PHE 104 -5.753 6.175 -9.437 807 HZ PHE 104 HZ PHE 104 -3.352 5.892 -9.887 808 H GLY 105 HN GLY 105 -7.376 11.012 -5.567 809 HA2 GLY 105 HA2 GLY 105 -6.779 13.601 -4.340 810 HA3 GLY 105 HA1 GLY 105 -8.322 12.760 -4.280 811 H SER 106 HN SER 106 -7.365 10.230 -3.462 812 HA SER 106 HA SER 106 -6.224 10.796 -0.817 813 HB2 SER 106 HB2 SER 106 -8.536 8.934 -1.439 814 HB3 SER 106 HB1 SER 106 -7.796 9.141 0.147 815 HG SER 106 HG SER 106 -8.919 11.254 -1.346 816 H LEU 107 HN LEU 107 -5.304 8.771 0.211 817 HA LEU 107 HA LEU 107 -3.438 7.566 -1.554 818 HB2 LEU 107 HB2 LEU 107 -4.212 6.847 1.274 819 HB3 LEU 107 HB1 LEU 107 -2.859 6.144 0.419 820 HG LEU 107 HG LEU 107 -3.113 9.062 1.163 821 HD11 LEU 107 HD11 LEU 107 -1.393 8.564 2.825 822 HD12 LEU 107 HD12 LEU 107 -1.469 6.856 2.390 823 HD13 LEU 107 HD13 LEU 107 -2.865 7.641 3.129 824 HD21 LEU 107 HD21 LEU 107 -0.819 7.474 0.033 825 HD22 LEU 107 HD22 LEU 107 -0.756 9.161 0.545 826 HD23 LEU 107 HD23 LEU 107 -1.756 8.693 -0.829 827 H SER 108 HN SER 108 -6.435 6.540 -0.101 828 HA SER 108 HA SER 108 -6.495 3.857 -0.479 829 HB2 SER 108 HB2 SER 108 -8.767 5.774 -0.917 830 HB3 SER 108 HB1 SER 108 -8.865 4.122 -0.305 831 HG SER 108 HG SER 108 -8.851 5.230 1.499 832 H ALA 109 HN ALA 109 -7.029 6.390 -2.884 833 HA ALA 109 HA ALA 109 -8.168 4.745 -4.885 834 HB1 ALA 109 HB1 ALA 109 -8.463 7.176 -4.809 835 HB2 ALA 109 HB2 ALA 109 -7.847 6.621 -6.366 836 HB3 ALA 109 HB3 ALA 109 -6.755 7.379 -5.205 837 H LEU 110 HN LEU 110 -4.862 5.856 -4.268 838 HA LEU 110 HA LEU 110 -3.891 4.592 -6.641 839 HB2 LEU 110 HB2 LEU 110 -1.609 5.200 -5.817 840 HB3 LEU 110 HB1 LEU 110 -2.699 6.550 -5.992 841 HG LEU 110 HG LEU 110 -3.034 6.342 -3.437 842 HD11 LEU 110 HD11 LEU 110 -1.160 5.438 -2.180 843 HD12 LEU 110 HD12 LEU 110 -0.450 4.802 -3.669 844 HD13 LEU 110 HD13 LEU 110 -2.002 4.189 -3.087 845 HD21 LEU 110 HD21 LEU 110 -0.402 7.260 -4.571 846 HD22 LEU 110 HD22 LEU 110 -1.075 7.725 -3.007 847 HD23 LEU 110 HD23 LEU 110 -1.897 8.197 -4.494 848 H VAL 111 HN VAL 111 -4.250 3.705 -3.359 849 HA VAL 111 HA VAL 111 -2.635 1.414 -3.336 850 HB VAL 111 HB VAL 111 -5.119 2.087 -1.717 851 HG11 VAL 111 HG11 VAL 111 -3.152 -0.160 -1.283 852 HG12 VAL 111 HG12 VAL 111 -4.844 -0.333 -1.759 853 HG13 VAL 111 HG13 VAL 111 -4.434 0.309 -0.168 854 HG21 VAL 111 HG21 VAL 111 -3.224 3.563 -1.327 855 HG22 VAL 111 HG22 VAL 111 -2.185 2.172 -1.023 856 HG23 VAL 111 HG23 VAL 111 -3.513 2.540 0.079 857 H SER 112 HN SER 112 -6.103 1.817 -3.941 858 HA SER 112 HA SER 112 -6.558 -0.895 -4.591 859 HB2 SER 112 HB2 SER 112 -8.320 0.675 -3.787 860 HB3 SER 112 HB1 SER 112 -8.196 1.554 -5.307 861 HG SER 112 HG SER 112 -9.832 0.211 -5.635 862 H GLN 113 HN GLN 113 -5.607 1.923 -6.464 863 HA GLN 113 HA GLN 113 -6.116 0.875 -9.027 864 HB2 GLN 113 HB2 GLN 113 -5.663 3.283 -8.648 865 HB3 GLN 113 HB1 GLN 113 -4.005 2.894 -8.232 866 HG2 GLN 113 HG2 GLN 113 -4.169 3.741 -10.510 867 HG3 GLN 113 HG1 GLN 113 -3.602 2.074 -10.487 868 HE21 GLN 113 HE21 GLN 113 -6.975 2.999 -10.038 869 HE22 GLN 113 HE22 GLN 113 -7.530 2.340 -11.521 870 H HIS 114 HN HIS 114 -3.301 0.668 -6.923 871 HA HIS 114 HA HIS 114 -1.748 -0.673 -8.887 872 HB2 HIS 114 HB2 HIS 114 -1.291 0.044 -6.049 873 HB3 HIS 114 HB1 HIS 114 -0.286 -1.213 -6.771 874 HD1 HIS 114 HD1 HIS 114 -1.115 2.475 -7.201 875 HD2 HIS 114 HD2 HIS 114 1.661 -0.362 -8.410 876 HE1 HIS 114 HE1 HIS 114 0.658 3.725 -8.480 877 H SER 115 HN SER 115 -4.259 -1.848 -7.079 878 HA SER 115 HA SER 115 -3.241 -4.534 -6.988 879 HB2 SER 115 HB2 SER 115 -6.100 -3.536 -6.818 880 HB3 SER 115 HB1 SER 115 -5.513 -5.124 -6.322 881 HG SER 115 HG SER 115 -4.061 -3.809 -4.898 882 H ILE 116 HN ILE 116 -4.898 -2.416 -9.161 883 HA ILE 116 HA ILE 116 -5.710 -4.525 -10.994 884 HB ILE 116 HB ILE 116 -6.050 -1.515 -11.223 885 HG12 ILE 116 HG12 ILE 116 -8.051 -3.601 -10.298 886 HG13 ILE 116 HG11 ILE 116 -7.210 -2.474 -9.242 887 HG21 ILE 116 HG21 ILE 116 -7.376 -3.775 -12.735 888 HG22 ILE 116 HG22 ILE 116 -6.168 -2.665 -13.377 889 HG23 ILE 116 HG23 ILE 116 -7.755 -2.061 -12.904 890 HD11 ILE 116 HD11 ILE 116 -8.314 -0.610 -10.365 891 HD12 ILE 116 HD12 ILE 116 -9.484 -1.747 -9.694 892 HD13 ILE 116 HD13 ILE 116 -9.151 -1.742 -11.426 893 H SER 117 HN SER 117 -3.729 -1.548 -11.054 894 HA SER 117 HA SER 117 -2.050 -2.774 -13.104 895 HB2 SER 117 HB2 SER 117 -3.062 0.083 -13.147 896 HB3 SER 117 HB1 SER 117 -1.985 -0.661 -14.327 897 HG SER 117 HG SER 117 -3.883 -2.252 -14.474 898 HA PRO 118 HA PRO 118 0.657 -1.015 -9.968 899 HB2 PRO 118 HB2 PRO 118 2.768 -2.689 -10.391 900 HB3 PRO 118 HB1 PRO 118 1.399 -3.102 -9.351 901 HG2 PRO 118 HG2 PRO 118 2.055 -4.031 -12.079 902 HG3 PRO 118 HG1 PRO 118 1.167 -4.858 -10.794 903 HD2 PRO 118 HD2 PRO 118 0.044 -3.570 -13.023 904 HD3 PRO 118 HD1 PRO 118 -0.827 -4.095 -11.571 905 H ILE 119 HN ILE 119 1.119 0.910 -10.861 906 HA ILE 119 HA ILE 119 2.529 1.103 -13.363 907 HB ILE 119 HB ILE 119 1.575 3.288 -11.486 908 HG12 ILE 119 HG12 ILE 119 0.357 2.242 -14.060 909 HG13 ILE 119 HG11 ILE 119 -0.248 1.906 -12.443 910 HG21 ILE 119 HG21 ILE 119 1.904 4.804 -13.406 911 HG22 ILE 119 HG22 ILE 119 2.570 3.471 -14.343 912 HG23 ILE 119 HG23 ILE 119 3.424 4.056 -12.920 913 HD11 ILE 119 HD11 ILE 119 -0.129 4.611 -13.761 914 HD12 ILE 119 HD12 ILE 119 -0.742 4.283 -12.139 915 HD13 ILE 119 HD13 ILE 119 -1.570 3.618 -13.545 916 H SER 120 HN SER 120 3.094 2.573 -10.164 917 HA SER 120 HA SER 120 5.866 2.964 -10.835 918 HB2 SER 120 HB2 SER 120 4.357 3.552 -8.297 919 HB3 SER 120 HB1 SER 120 5.939 4.186 -8.757 920 HG SER 120 HG SER 120 3.447 4.990 -9.504 921 H LEU 121 HN LEU 121 3.959 0.784 -8.999 922 HA LEU 121 HA LEU 121 6.275 -0.186 -7.525 923 HB2 LEU 121 HB2 LEU 121 3.403 -1.051 -7.384 924 HB3 LEU 121 HB1 LEU 121 4.678 -1.457 -6.252 925 HG LEU 121 HG LEU 121 3.596 1.315 -6.726 926 HD11 LEU 121 HD11 LEU 121 2.655 1.097 -4.510 927 HD12 LEU 121 HD12 LEU 121 3.234 -0.569 -4.434 928 HD13 LEU 121 HD13 LEU 121 2.007 -0.113 -5.616 929 HD21 LEU 121 HD21 LEU 121 5.945 1.350 -6.088 930 HD22 LEU 121 HD22 LEU 121 5.598 0.314 -4.704 931 HD23 LEU 121 HD23 LEU 121 4.922 1.940 -4.783 932 HA PRO 122 HA PRO 122 6.872 -3.446 -10.523 933 HB2 PRO 122 HB2 PRO 122 8.570 -4.985 -9.086 934 HB3 PRO 122 HB1 PRO 122 9.075 -3.458 -9.819 935 HG2 PRO 122 HG2 PRO 122 8.229 -4.007 -6.994 936 HG3 PRO 122 HG1 PRO 122 9.628 -3.078 -7.565 937 HD2 PRO 122 HD2 PRO 122 7.380 -1.872 -6.749 938 HD3 PRO 122 HD1 PRO 122 8.333 -1.230 -8.101 939 H CYS 123 HN CYS 123 5.465 -3.827 -7.466 940 HA CYS 123 HA CYS 123 4.412 -6.450 -8.207 941 HB2 CYS 123 HB2 CYS 123 5.931 -6.725 -6.308 942 HB3 CYS 123 HB1 CYS 123 5.126 -5.421 -5.443 943 HG CYS 123 HG CYS 123 2.756 -6.795 -5.057 944 H CYS 124 HN CYS 124 2.237 -6.720 -7.753 945 HA CYS 124 HA CYS 124 0.627 -4.371 -7.774 946 HB2 CYS 124 HB2 CYS 124 -0.179 -7.255 -7.320 947 HB3 CYS 124 HB1 CYS 124 -1.220 -5.939 -7.852 948 HG CYS 124 HG CYS 124 -0.239 -8.014 -9.822 949 H LEU 125 HN LEU 125 -0.718 -3.661 -6.083 950 HA LEU 125 HA LEU 125 0.328 -4.246 -3.475 951 HB2 LEU 125 HB2 LEU 125 -1.832 -2.348 -4.345 952 HB3 LEU 125 HB1 LEU 125 -1.432 -2.618 -2.665 953 HG LEU 125 HG LEU 125 0.365 -1.449 -4.780 954 HD11 LEU 125 HD11 LEU 125 0.269 0.543 -3.370 955 HD12 LEU 125 HD12 LEU 125 -0.865 -0.279 -2.293 956 HD13 LEU 125 HD13 LEU 125 -1.324 0.070 -3.961 957 HD21 LEU 125 HD21 LEU 125 1.957 -1.111 -2.907 958 HD22 LEU 125 HD22 LEU 125 1.727 -2.798 -3.340 959 HD23 LEU 125 HD23 LEU 125 0.934 -2.139 -1.901 960 H ARG 126 HN ARG 126 -0.195 -5.824 -2.352 961 HA ARG 126 HA ARG 126 -2.803 -7.067 -2.659 962 HB2 ARG 126 HB2 ARG 126 -0.616 -8.374 -2.816 963 HB3 ARG 126 HB1 ARG 126 -0.350 -8.008 -1.130 964 HG2 ARG 126 HG2 ARG 126 -2.656 -9.645 -2.209 965 HG3 ARG 126 HG1 ARG 126 -1.167 -10.316 -1.562 966 HD2 ARG 126 HD2 ARG 126 -1.725 -9.122 0.601 967 HD3 ARG 126 HD1 ARG 126 -3.308 -8.780 -0.097 968 HE ARG 126 HE ARG 126 -2.469 -11.537 -0.117 969 HH11 ARG 126 HH11 ARG 126 -4.515 -9.108 1.458 970 HH12 ARG 126 HH12 ARG 126 -5.251 -10.226 2.505 971 HH21 ARG 126 HH21 ARG 126 -3.524 -13.060 1.342 972 HH22 ARG 126 HH22 ARG 126 -4.673 -12.492 2.450 973 H ILE 127 HN ILE 127 -4.111 -5.720 -1.487 974 HA ILE 127 HA ILE 127 -3.440 -4.505 0.970 975 HB ILE 127 HB ILE 127 -6.201 -5.170 -0.171 976 HG12 ILE 127 HG12 ILE 127 -6.381 -2.682 -0.505 977 HG13 ILE 127 HG11 ILE 127 -4.702 -2.540 -0.035 978 HG21 ILE 127 HG21 ILE 127 -7.170 -3.632 1.474 979 HG22 ILE 127 HG22 ILE 127 -5.591 -3.466 2.236 980 HG23 ILE 127 HG23 ILE 127 -6.408 -5.030 2.234 981 HD11 ILE 127 HD11 ILE 127 -4.990 -2.422 -2.440 982 HD12 ILE 127 HD12 ILE 127 -5.754 -4.011 -2.435 983 HD13 ILE 127 HD13 ILE 127 -4.055 -3.846 -1.989 984 HA PRO 128 HA PRO 128 -3.291 -8.059 3.679 985 HB2 PRO 128 HB2 PRO 128 -4.293 -6.046 5.649 986 HB3 PRO 128 HB1 PRO 128 -2.946 -7.185 5.796 987 HG2 PRO 128 HG2 PRO 128 -2.472 -4.623 5.324 988 HG3 PRO 128 HG1 PRO 128 -1.532 -5.880 4.498 989 HD2 PRO 128 HD2 PRO 128 -3.725 -4.152 3.446 990 HD3 PRO 128 HD1 PRO 128 -2.266 -4.762 2.634 991 H SER 129 HN SER 129 -6.057 -5.837 3.934 992 HA SER 129 HA SER 129 -8.230 -6.033 4.253 993 HB2 SER 129 HB2 SER 129 -7.855 -8.751 2.991 994 HB3 SER 129 HB1 SER 129 -9.320 -7.754 3.122 995 HG SER 129 HG SER 129 -8.688 -7.029 1.260 996 H LYS 130 HN LYS 130 -6.306 -7.429 6.237 997 HA LYS 130 HA LYS 130 -8.314 -8.181 8.129 998 HB2 LYS 130 HB2 LYS 130 -7.898 -10.285 6.798 999 HB3 LYS 130 HB1 LYS 130 -6.209 -10.178 7.241 1000 HG2 LYS 130 HG2 LYS 130 -7.344 -11.809 8.612 1001 HG3 LYS 130 HG1 LYS 130 -6.804 -10.450 9.598 1002 HD2 LYS 130 HD2 LYS 130 -9.058 -11.159 10.233 1003 HD3 LYS 130 HD1 LYS 130 -9.083 -9.527 9.571 1004 HE2 LYS 130 HE2 LYS 130 -10.953 -10.838 8.747 1005 HE3 LYS 130 HE1 LYS 130 -9.873 -10.409 7.431 1006 HZ1 LYS 130 HZ1 LYS 130 -10.634 -12.705 7.316 1007 HZ2 LYS 130 HZ2 LYS 130 -9.907 -13.065 8.791 1008 HZ3 LYS 130 HZ3 LYS 130 -8.971 -12.653 7.452 1009 H ASP 131 HN ASP 131 -7.503 -7.373 10.094 1010 HA ASP 131 HA ASP 131 -4.644 -7.198 10.327 1011 HB2 ASP 131 HB2 ASP 131 -4.756 -4.980 11.243 1012 HB3 ASP 131 HB1 ASP 131 -5.569 -4.956 9.687 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 6.491 -13.695 13.510 2 H2 MET 1 HT2 MET 1 7.216 -14.657 14.658 3 H3 MET 1 HT3 MET 1 8.135 -13.527 13.813 4 HA MET 1 HA MET 1 7.672 -12.821 16.068 5 HB2 MET 1 HB2 MET 1 6.341 -11.204 13.902 6 HB3 MET 1 HB1 MET 1 6.577 -10.606 15.538 7 HG2 MET 1 HG2 MET 1 8.745 -11.450 13.629 8 HG3 MET 1 HG1 MET 1 8.291 -9.793 14.014 9 HE1 MET 1 HE1 MET 1 8.716 -8.635 16.359 10 HE2 MET 1 HE2 MET 1 9.378 -9.469 17.761 11 HE3 MET 1 HE3 MET 1 7.777 -9.895 17.163 12 H HIS 2 HN HIS 2 4.608 -13.123 14.210 13 HA HIS 2 HA HIS 2 3.282 -13.446 16.794 14 HB2 HIS 2 HB2 HIS 2 2.649 -11.311 15.754 15 HB3 HIS 2 HB1 HIS 2 2.265 -12.133 14.251 16 HD1 HIS 2 HD1 HIS 2 0.923 -11.707 17.804 17 HD2 HIS 2 HD2 HIS 2 -0.274 -13.079 14.066 18 HE1 HIS 2 HE1 HIS 2 -1.542 -12.098 17.961 19 H HIS 3 HN HIS 3 1.845 -15.190 16.909 20 HA HIS 3 HA HIS 3 1.902 -16.897 14.542 21 HB2 HIS 3 HB2 HIS 3 2.040 -18.880 15.931 22 HB3 HIS 3 HB1 HIS 3 3.329 -17.787 16.390 23 HD1 HIS 3 HD1 HIS 3 3.038 -16.633 18.827 24 HD2 HIS 3 HD2 HIS 3 0.306 -19.619 17.873 25 HE1 HIS 3 HE1 HIS 3 2.024 -17.373 20.996 26 H HIS 4 HN HIS 4 0.146 -18.623 14.731 27 HA HIS 4 HA HIS 4 -2.343 -17.165 14.854 28 HB2 HIS 4 HB2 HIS 4 -1.736 -20.014 14.021 29 HB3 HIS 4 HB1 HIS 4 -3.298 -19.233 13.865 30 HD1 HIS 4 HD1 HIS 4 0.125 -19.332 12.320 31 HD2 HIS 4 HD2 HIS 4 -3.544 -17.492 11.713 32 HE1 HIS 4 HE1 HIS 4 0.241 -18.291 10.038 33 H HIS 5 HN HIS 5 -3.212 -16.986 16.843 34 HA HIS 5 HA HIS 5 -2.940 -19.103 18.790 35 HB2 HIS 5 HB2 HIS 5 -4.656 -16.594 18.836 36 HB3 HIS 5 HB1 HIS 5 -4.468 -17.701 20.188 37 HD1 HIS 5 HD1 HIS 5 -3.266 -14.531 19.120 38 HD2 HIS 5 HD2 HIS 5 -1.501 -17.878 20.832 39 HE1 HIS 5 HE1 HIS 5 -1.137 -13.736 20.130 40 H HIS 6 HN HIS 6 -5.547 -17.620 16.994 41 HA HIS 6 HA HIS 6 -6.999 -20.184 16.898 42 HB2 HIS 6 HB2 HIS 6 -8.193 -17.478 17.629 43 HB3 HIS 6 HB1 HIS 6 -9.157 -18.876 17.179 44 HD1 HIS 6 HD1 HIS 6 -9.752 -20.482 19.056 45 HD2 HIS 6 HD2 HIS 6 -6.811 -17.755 20.134 46 HE1 HIS 6 HE1 HIS 6 -9.406 -20.768 21.541 47 H HIS 7 HN HIS 7 -5.268 -18.805 15.126 48 HA HIS 7 HA HIS 7 -4.953 -17.951 13.105 49 HB2 HIS 7 HB2 HIS 7 -7.730 -19.048 12.629 50 HB3 HIS 7 HB1 HIS 7 -6.862 -18.193 11.355 51 HD1 HIS 7 HD1 HIS 7 -6.699 -21.422 13.379 52 HD2 HIS 7 HD2 HIS 7 -4.812 -19.588 10.152 53 HE1 HIS 7 HE1 HIS 7 -5.243 -23.167 12.332 54 H SER 8 HN SER 8 -8.307 -16.979 13.714 55 HA SER 8 HA SER 8 -7.558 -14.259 13.168 56 HB2 SER 8 HB2 SER 8 -10.184 -15.459 14.117 57 HB3 SER 8 HB1 SER 8 -9.954 -13.786 13.599 58 HG SER 8 HG SER 8 -9.351 -14.536 11.595 59 H SER 9 HN SER 9 -6.048 -13.922 14.716 60 HA SER 9 HA SER 9 -6.736 -14.305 17.511 61 HB2 SER 9 HB2 SER 9 -4.133 -13.368 16.293 62 HB3 SER 9 HB1 SER 9 -4.394 -13.987 17.925 63 HG SER 9 HG SER 9 -4.150 -15.292 15.527 64 H GLY 10 HN GLY 10 -8.083 -12.680 18.026 65 HA2 GLY 10 HA2 GLY 10 -8.203 -10.434 18.887 66 HA3 GLY 10 HA1 GLY 10 -7.150 -9.930 17.560 67 H LEU 11 HN LEU 11 -10.336 -10.563 18.533 68 HA LEU 11 HA LEU 11 -11.420 -10.776 15.903 69 HB2 LEU 11 HB2 LEU 11 -12.800 -10.316 18.543 70 HB3 LEU 11 HB1 LEU 11 -13.612 -10.642 17.027 71 HG LEU 11 HG LEU 11 -11.807 -12.554 18.519 72 HD11 LEU 11 HD11 LEU 11 -13.976 -12.231 19.587 73 HD12 LEU 11 HD12 LEU 11 -13.853 -13.839 18.873 74 HD13 LEU 11 HD13 LEU 11 -14.784 -12.583 18.060 75 HD21 LEU 11 HD21 LEU 11 -11.610 -12.894 16.114 76 HD22 LEU 11 HD22 LEU 11 -13.365 -12.926 15.958 77 HD23 LEU 11 HD23 LEU 11 -12.539 -14.207 16.839 78 H VAL 12 HN VAL 12 -11.196 -9.122 14.686 79 HA VAL 12 HA VAL 12 -11.797 -6.497 15.698 80 HB VAL 12 HB VAL 12 -11.137 -5.724 13.348 81 HG11 VAL 12 HG11 VAL 12 -9.119 -7.319 14.931 82 HG12 VAL 12 HG12 VAL 12 -9.580 -5.643 15.225 83 HG13 VAL 12 HG13 VAL 12 -8.736 -6.078 13.738 84 HG21 VAL 12 HG21 VAL 12 -11.544 -7.855 12.188 85 HG22 VAL 12 HG22 VAL 12 -10.223 -8.594 13.099 86 HG23 VAL 12 HG23 VAL 12 -9.887 -7.287 11.964 87 HA PRO 13 HA PRO 13 -16.005 -7.192 14.510 88 HB2 PRO 13 HB2 PRO 13 -16.989 -4.851 15.396 89 HB3 PRO 13 HB1 PRO 13 -16.477 -6.139 16.498 90 HG2 PRO 13 HG2 PRO 13 -15.028 -3.657 15.669 91 HG3 PRO 13 HG1 PRO 13 -15.173 -4.382 17.279 92 HD2 PRO 13 HD2 PRO 13 -12.991 -4.686 15.693 93 HD3 PRO 13 HD1 PRO 13 -13.508 -5.903 16.882 94 H ARG 14 HN ARG 14 -13.956 -4.888 13.098 95 HA ARG 14 HA ARG 14 -15.982 -4.350 11.092 96 HB2 ARG 14 HB2 ARG 14 -15.265 -2.008 10.918 97 HB3 ARG 14 HB1 ARG 14 -16.005 -2.393 12.463 98 HG2 ARG 14 HG2 ARG 14 -13.793 -2.529 13.485 99 HG3 ARG 14 HG1 ARG 14 -13.058 -2.143 11.928 100 HD2 ARG 14 HD2 ARG 14 -14.186 -0.002 11.908 101 HD3 ARG 14 HD1 ARG 14 -14.985 -0.392 13.431 102 HE ARG 14 HE ARG 14 -12.091 -0.430 13.348 103 HH11 ARG 14 HH11 ARG 14 -15.038 1.243 14.342 104 HH12 ARG 14 HH12 ARG 14 -14.247 2.287 15.437 105 HH21 ARG 14 HH21 ARG 14 -11.017 0.948 14.868 106 HH22 ARG 14 HH22 ARG 14 -11.896 2.093 15.765 107 H GLY 15 HN GLY 15 -15.316 -4.268 9.062 108 HA2 GLY 15 HA2 GLY 15 -12.423 -4.289 8.555 109 HA3 GLY 15 HA1 GLY 15 -13.529 -5.367 7.688 110 H SER 16 HN SER 16 -14.638 -2.310 8.597 111 HA SER 16 HA SER 16 -15.051 -1.595 5.850 112 HB2 SER 16 HB2 SER 16 -15.839 -0.103 8.353 113 HB3 SER 16 HB1 SER 16 -16.506 0.132 6.734 114 HG SER 16 HG SER 16 -17.707 -1.527 6.967 115 H ASP 17 HN ASP 17 -12.890 -1.073 8.129 116 HA ASP 17 HA ASP 17 -11.843 1.335 6.872 117 HB2 ASP 17 HB2 ASP 17 -10.641 1.841 8.984 118 HB3 ASP 17 HB1 ASP 17 -12.381 1.733 9.189 119 H THR 18 HN THR 18 -10.607 0.657 5.324 120 HA THR 18 HA THR 18 -9.020 -1.690 5.749 121 HB THR 18 HB THR 18 -8.778 -1.526 3.204 122 HG1 THR 18 HG1 THR 18 -10.604 -0.233 2.356 123 HG21 THR 18 HG21 THR 18 -11.500 -1.829 4.474 124 HG22 THR 18 HG22 THR 18 -10.295 -3.110 4.315 125 HG23 THR 18 HG23 THR 18 -11.063 -2.432 2.876 126 H SER 19 HN SER 19 -8.628 1.541 5.701 127 HA SER 19 HA SER 19 -6.025 1.715 4.542 128 HB2 SER 19 HB2 SER 19 -7.358 3.636 6.468 129 HB3 SER 19 HB1 SER 19 -5.896 3.974 5.539 130 HG SER 19 HG SER 19 -8.533 3.587 4.659 131 H LYS 20 HN LYS 20 -7.199 1.138 7.771 132 HA LYS 20 HA LYS 20 -4.729 1.525 9.045 133 HB2 LYS 20 HB2 LYS 20 -5.753 0.414 11.029 134 HB3 LYS 20 HB1 LYS 20 -6.681 1.747 10.382 135 HG2 LYS 20 HG2 LYS 20 -8.279 0.152 10.931 136 HG3 LYS 20 HG1 LYS 20 -8.076 -0.045 9.197 137 HD2 LYS 20 HD2 LYS 20 -6.632 -1.987 9.585 138 HD3 LYS 20 HD1 LYS 20 -6.804 -1.766 11.328 139 HE2 LYS 20 HE2 LYS 20 -9.026 -2.406 9.379 140 HE3 LYS 20 HE1 LYS 20 -8.298 -3.525 10.524 141 HZ1 LYS 20 HZ1 LYS 20 -9.847 -1.084 11.208 142 HZ2 LYS 20 HZ2 LYS 20 -9.167 -2.132 12.343 143 HZ3 LYS 20 HZ3 LYS 20 -10.410 -2.648 11.345 144 H PHE 21 HN PHE 21 -5.593 -0.981 7.040 145 HA PHE 21 HA PHE 21 -4.037 -3.029 8.330 146 HB2 PHE 21 HB2 PHE 21 -5.051 -2.844 5.483 147 HB3 PHE 21 HB1 PHE 21 -4.207 -4.235 6.142 148 HD1 PHE 21 HD2 PHE 21 -5.312 -5.185 8.371 149 HD2 PHE 21 HD1 PHE 21 -7.324 -2.902 5.418 150 HE1 PHE 21 HE2 PHE 21 -7.465 -6.130 9.108 151 HE2 PHE 21 HE1 PHE 21 -9.480 -3.843 6.154 152 HZ PHE 21 HZ PHE 21 -9.546 -5.454 7.997 153 H TRP 22 HN TRP 22 -3.421 -0.375 6.222 154 HA TRP 22 HA TRP 22 -0.665 -1.303 5.960 155 HB2 TRP 22 HB2 TRP 22 -0.637 -0.091 3.700 156 HB3 TRP 22 HB1 TRP 22 -1.449 -1.646 3.799 157 HD1 TRP 22 HD1 TRP 22 -3.960 -1.722 3.133 158 HE1 TRP 22 HE1 TRP 22 -5.638 -0.007 2.230 159 HE3 TRP 22 HE3 TRP 22 -1.287 2.570 3.938 160 HZ2 TRP 22 HZ2 TRP 22 -5.816 2.799 1.880 161 HZ3 TRP 22 HZ3 TRP 22 -2.295 4.712 3.298 162 HH2 TRP 22 HH2 TRP 22 -4.497 4.825 2.301 163 H TYR 23 HN TYR 23 -2.721 1.395 6.630 164 HA TYR 23 HA TYR 23 -0.558 3.254 6.348 165 HB2 TYR 23 HB2 TYR 23 -2.941 3.793 5.793 166 HB3 TYR 23 HB1 TYR 23 -3.306 3.701 7.509 167 HD1 TYR 23 HD2 TYR 23 -0.918 5.384 5.213 168 HD2 TYR 23 HD1 TYR 23 -3.334 5.689 8.684 169 HE1 TYR 23 HE2 TYR 23 -0.282 7.732 5.424 170 HE2 TYR 23 HE1 TYR 23 -2.717 8.058 8.911 171 HH TYR 23 HH TYR 23 -0.931 9.566 8.233 172 H LYS 24 HN LYS 24 0.961 3.308 7.794 173 HA LYS 24 HA LYS 24 0.247 3.491 10.627 174 HB2 LYS 24 HB2 LYS 24 2.557 1.821 9.553 175 HB3 LYS 24 HB1 LYS 24 2.433 2.324 11.217 176 HG2 LYS 24 HG2 LYS 24 1.760 0.079 11.164 177 HG3 LYS 24 HG1 LYS 24 0.271 1.005 11.316 178 HD2 LYS 24 HD2 LYS 24 -0.194 0.708 8.959 179 HD3 LYS 24 HD1 LYS 24 1.356 -0.099 8.722 180 HE2 LYS 24 HE2 LYS 24 -0.418 -1.737 8.838 181 HE3 LYS 24 HE1 LYS 24 0.646 -1.887 10.231 182 HZ1 LYS 24 HZ1 LYS 24 -1.087 -0.568 11.499 183 HZ2 LYS 24 HZ2 LYS 24 -1.542 -2.087 10.982 184 HZ3 LYS 24 HZ3 LYS 24 -2.113 -0.753 10.165 185 HA PRO 25 HA PRO 25 2.792 6.963 9.072 186 HB2 PRO 25 HB2 PRO 25 1.565 8.942 10.369 187 HB3 PRO 25 HB1 PRO 25 0.851 8.195 8.934 188 HG2 PRO 25 HG2 PRO 25 0.238 7.711 11.823 189 HG3 PRO 25 HG1 PRO 25 -0.883 7.908 10.463 190 HD2 PRO 25 HD2 PRO 25 -0.159 5.480 11.490 191 HD3 PRO 25 HD1 PRO 25 -0.646 5.718 9.797 192 H HIS 26 HN HIS 26 2.432 5.665 12.152 193 HA HIS 26 HA HIS 26 4.206 7.625 13.414 194 HB2 HIS 26 HB2 HIS 26 2.929 5.168 14.639 195 HB3 HIS 26 HB1 HIS 26 3.799 6.423 15.504 196 HD1 HIS 26 HD1 HIS 26 2.525 8.942 15.212 197 HD2 HIS 26 HD2 HIS 26 0.306 5.485 14.630 198 HE1 HIS 26 HE1 HIS 26 0.117 9.614 15.461 199 H LEU 27 HN LEU 27 4.571 4.968 11.523 200 HA LEU 27 HA LEU 27 6.664 3.753 13.129 201 HB2 LEU 27 HB2 LEU 27 4.718 2.539 11.896 202 HB3 LEU 27 HB1 LEU 27 5.695 2.782 10.467 203 HG LEU 27 HG LEU 27 7.526 1.500 11.537 204 HD11 LEU 27 HD11 LEU 27 5.456 1.055 13.689 205 HD12 LEU 27 HD12 LEU 27 7.002 1.890 13.878 206 HD13 LEU 27 HD13 LEU 27 6.966 0.164 13.541 207 HD21 LEU 27 HD21 LEU 27 4.867 0.086 11.396 208 HD22 LEU 27 HD22 LEU 27 6.456 -0.682 11.332 209 HD23 LEU 27 HD23 LEU 27 5.948 0.406 10.040 210 H SER 28 HN SER 28 8.745 4.114 12.698 211 HA SER 28 HA SER 28 9.468 5.922 10.565 212 HB2 SER 28 HB2 SER 28 11.161 4.636 12.719 213 HB3 SER 28 HB1 SER 28 11.607 6.005 11.697 214 HG SER 28 HG SER 28 9.754 7.092 12.582 215 H ARG 29 HN ARG 29 11.721 5.377 9.525 216 HA ARG 29 HA ARG 29 11.264 3.526 7.537 217 HB2 ARG 29 HB2 ARG 29 12.813 5.395 7.337 218 HB3 ARG 29 HB1 ARG 29 13.895 4.643 8.494 219 HG2 ARG 29 HG2 ARG 29 14.303 2.814 6.931 220 HG3 ARG 29 HG1 ARG 29 13.196 3.560 5.775 221 HD2 ARG 29 HD2 ARG 29 14.608 5.542 5.688 222 HD3 ARG 29 HD1 ARG 29 15.710 4.823 6.857 223 HE ARG 29 HE ARG 29 15.418 3.087 4.699 224 HH11 ARG 29 HH11 ARG 29 16.846 6.255 5.407 225 HH12 ARG 29 HH12 ARG 29 18.039 6.147 4.211 226 HH21 ARG 29 HH21 ARG 29 17.061 2.952 3.042 227 HH22 ARG 29 HH22 ARG 29 18.165 4.243 2.848 228 H ASP 30 HN ASP 30 13.504 3.179 10.239 229 HA ASP 30 HA ASP 30 14.519 0.606 9.731 230 HB2 ASP 30 HB2 ASP 30 14.052 2.026 12.356 231 HB3 ASP 30 HB1 ASP 30 14.852 0.474 12.255 232 H GLN 31 HN GLN 31 11.790 1.653 11.505 233 HA GLN 31 HA GLN 31 11.056 -0.865 12.618 234 HB2 GLN 31 HB2 GLN 31 9.485 1.684 12.366 235 HB3 GLN 31 HB1 GLN 31 9.128 0.340 13.443 236 HG2 GLN 31 HG2 GLN 31 11.120 0.759 14.709 237 HG3 GLN 31 HG1 GLN 31 11.645 1.988 13.557 238 HE21 GLN 31 HE21 GLN 31 11.192 2.243 16.367 239 HE22 GLN 31 HE22 GLN 31 9.994 3.458 16.581 240 H ALA 32 HN ALA 32 10.123 0.990 9.809 241 HA ALA 32 HA ALA 32 7.828 -0.531 9.098 242 HB1 ALA 32 HB1 ALA 32 8.242 1.742 8.273 243 HB2 ALA 32 HB2 ALA 32 8.013 0.608 6.937 244 HB3 ALA 32 HB3 ALA 32 9.636 1.150 7.372 245 H ILE 33 HN ILE 33 11.212 -0.660 8.235 246 HA ILE 33 HA ILE 33 11.015 -2.803 6.396 247 HB ILE 33 HB ILE 33 13.357 -1.885 8.092 248 HG12 ILE 33 HG12 ILE 33 12.744 -1.261 5.205 249 HG13 ILE 33 HG11 ILE 33 12.255 -0.225 6.536 250 HG21 ILE 33 HG21 ILE 33 14.759 -3.019 6.428 251 HG22 ILE 33 HG22 ILE 33 13.316 -3.596 5.594 252 HG23 ILE 33 HG23 ILE 33 13.681 -4.167 7.223 253 HD11 ILE 33 HD11 ILE 33 14.528 0.054 7.184 254 HD12 ILE 33 HD12 ILE 33 14.282 0.569 5.512 255 HD13 ILE 33 HD13 ILE 33 15.082 -0.983 5.867 256 H ALA 34 HN ALA 34 11.575 -2.556 9.846 257 HA ALA 34 HA ALA 34 11.972 -5.247 10.528 258 HB1 ALA 34 HB1 ALA 34 12.206 -3.342 12.120 259 HB2 ALA 34 HB2 ALA 34 11.211 -4.669 12.743 260 HB3 ALA 34 HB3 ALA 34 10.437 -3.220 12.127 261 H LEU 35 HN LEU 35 9.101 -3.482 9.783 262 HA LEU 35 HA LEU 35 7.262 -5.442 10.725 263 HB2 LEU 35 HB2 LEU 35 7.045 -2.852 10.345 264 HB3 LEU 35 HB1 LEU 35 6.640 -3.309 8.709 265 HG LEU 35 HG LEU 35 4.654 -2.840 10.039 266 HD11 LEU 35 HD11 LEU 35 4.428 -4.468 8.263 267 HD12 LEU 35 HD12 LEU 35 3.383 -4.872 9.624 268 HD13 LEU 35 HD13 LEU 35 4.888 -5.759 9.371 269 HD21 LEU 35 HD21 LEU 35 4.038 -4.211 11.941 270 HD22 LEU 35 HD22 LEU 35 5.622 -3.446 12.205 271 HD23 LEU 35 HD23 LEU 35 5.531 -5.137 11.771 272 H LEU 36 HN LEU 36 8.455 -4.410 7.547 273 HA LEU 36 HA LEU 36 6.942 -6.409 6.198 274 HB2 LEU 36 HB2 LEU 36 8.693 -4.217 5.389 275 HB3 LEU 36 HB1 LEU 36 8.650 -5.582 4.291 276 HG LEU 36 HG LEU 36 6.299 -5.322 3.908 277 HD11 LEU 36 HD11 LEU 36 5.509 -4.869 6.118 278 HD12 LEU 36 HD12 LEU 36 4.953 -3.603 5.031 279 HD13 LEU 36 HD13 LEU 36 6.318 -3.306 6.127 280 HD21 LEU 36 HD21 LEU 36 6.189 -3.066 3.019 281 HD22 LEU 36 HD22 LEU 36 7.761 -3.805 2.695 282 HD23 LEU 36 HD23 LEU 36 7.597 -2.617 3.981 283 H LYS 37 HN LYS 37 10.012 -6.534 7.639 284 HA LYS 37 HA LYS 37 10.820 -8.804 6.053 285 HB2 LYS 37 HB2 LYS 37 12.674 -9.085 7.628 286 HB3 LYS 37 HB1 LYS 37 12.538 -7.396 7.165 287 HG2 LYS 37 HG2 LYS 37 11.412 -6.911 9.272 288 HG3 LYS 37 HG1 LYS 37 11.533 -8.606 9.729 289 HD2 LYS 37 HD2 LYS 37 13.260 -7.313 10.828 290 HD3 LYS 37 HD1 LYS 37 13.985 -8.436 9.688 291 HE2 LYS 37 HE2 LYS 37 14.355 -6.661 8.093 292 HE3 LYS 37 HE1 LYS 37 13.472 -5.512 9.089 293 HZ1 LYS 37 HZ1 LYS 37 15.170 -5.662 10.763 294 HZ2 LYS 37 HZ2 LYS 37 15.919 -5.305 9.292 295 HZ3 LYS 37 HZ3 LYS 37 15.971 -6.881 9.911 296 H ASP 38 HN ASP 38 8.587 -8.283 8.387 297 HA ASP 38 HA ASP 38 8.598 -10.955 9.541 298 HB2 ASP 38 HB2 ASP 38 8.064 -9.329 11.148 299 HB3 ASP 38 HB1 ASP 38 7.019 -8.453 10.042 300 H LYS 39 HN LYS 39 6.721 -8.975 7.384 301 HA LYS 39 HA LYS 39 4.847 -11.126 7.080 302 HB2 LYS 39 HB2 LYS 39 4.734 -8.246 6.277 303 HB3 LYS 39 HB1 LYS 39 3.513 -9.418 5.772 304 HG2 LYS 39 HG2 LYS 39 3.110 -10.017 8.096 305 HG3 LYS 39 HG1 LYS 39 4.323 -8.855 8.604 306 HD2 LYS 39 HD2 LYS 39 2.961 -7.036 7.851 307 HD3 LYS 39 HD1 LYS 39 1.799 -8.154 7.120 308 HE2 LYS 39 HE2 LYS 39 0.970 -7.393 9.292 309 HE3 LYS 39 HE1 LYS 39 1.344 -9.117 9.296 310 HZ1 LYS 39 HZ1 LYS 39 3.452 -8.626 10.436 311 HZ2 LYS 39 HZ2 LYS 39 2.116 -8.103 11.301 312 HZ3 LYS 39 HZ3 LYS 39 3.040 -6.977 10.485 313 H ASP 40 HN ASP 40 3.888 -11.000 4.631 314 HA ASP 40 HA ASP 40 6.020 -12.403 3.254 315 HB2 ASP 40 HB2 ASP 40 3.091 -12.158 2.540 316 HB3 ASP 40 HB1 ASP 40 4.250 -13.227 1.763 317 HA PRO 41 HA PRO 41 6.817 -9.331 0.110 318 HB2 PRO 41 HB2 PRO 41 6.631 -11.533 -1.869 319 HB3 PRO 41 HB1 PRO 41 7.968 -10.422 -1.570 320 HG2 PRO 41 HG2 PRO 41 8.121 -12.968 -0.803 321 HG3 PRO 41 HG1 PRO 41 8.794 -11.664 0.193 322 HD2 PRO 41 HD2 PRO 41 6.258 -13.204 0.554 323 HD3 PRO 41 HD1 PRO 41 7.421 -12.627 1.768 324 H GLY 42 HN GLY 42 5.356 -8.039 -0.670 325 HA2 GLY 42 HA2 GLY 42 3.576 -7.804 -2.387 326 HA3 GLY 42 HA1 GLY 42 2.797 -9.164 -1.572 327 H ALA 43 HN ALA 43 3.820 -8.209 1.032 328 HA ALA 43 HA ALA 43 1.624 -6.534 1.732 329 HB1 ALA 43 HB1 ALA 43 2.586 -6.611 4.000 330 HB2 ALA 43 HB2 ALA 43 4.034 -7.375 3.365 331 HB3 ALA 43 HB3 ALA 43 2.495 -8.230 3.305 332 H PHE 44 HN PHE 44 1.768 -4.413 2.534 333 HA PHE 44 HA PHE 44 4.214 -2.964 2.132 334 HB2 PHE 44 HB2 PHE 44 3.200 -1.353 0.622 335 HB3 PHE 44 HB1 PHE 44 3.077 -2.950 -0.095 336 HD1 PHE 44 HD1 PHE 44 0.852 -4.154 0.021 337 HD2 PHE 44 HD2 PHE 44 1.297 -0.044 1.008 338 HE1 PHE 44 HE1 PHE 44 -1.561 -3.820 -0.260 339 HE2 PHE 44 HE2 PHE 44 -1.110 0.292 0.730 340 HZ PHE 44 HZ PHE 44 -2.542 -1.597 0.101 341 H LEU 45 HN LEU 45 3.858 -0.735 2.913 342 HA LEU 45 HA LEU 45 1.444 -0.242 4.362 343 HB2 LEU 45 HB2 LEU 45 2.313 0.017 6.528 344 HB3 LEU 45 HB1 LEU 45 2.989 -1.495 5.977 345 HG LEU 45 HG LEU 45 4.455 1.144 6.147 346 HD11 LEU 45 HD11 LEU 45 3.930 0.242 8.320 347 HD12 LEU 45 HD12 LEU 45 5.659 0.084 7.985 348 HD13 LEU 45 HD13 LEU 45 4.604 -1.321 7.857 349 HD21 LEU 45 HD21 LEU 45 5.487 -1.612 5.518 350 HD22 LEU 45 HD22 LEU 45 6.474 -0.159 5.712 351 HD23 LEU 45 HD23 LEU 45 5.323 -0.288 4.373 352 H ILE 46 HN ILE 46 1.237 1.928 4.897 353 HA ILE 46 HA ILE 46 3.171 3.654 3.555 354 HB ILE 46 HB ILE 46 0.179 4.096 3.903 355 HG12 ILE 46 HG12 ILE 46 1.904 3.796 1.439 356 HG13 ILE 46 HG11 ILE 46 0.754 2.610 2.041 357 HG21 ILE 46 HG21 ILE 46 0.502 6.231 2.731 358 HG22 ILE 46 HG22 ILE 46 2.245 5.958 2.748 359 HG23 ILE 46 HG23 ILE 46 1.378 6.189 4.266 360 HD11 ILE 46 HD11 ILE 46 0.075 5.351 0.977 361 HD12 ILE 46 HD12 ILE 46 -1.086 4.148 1.543 362 HD13 ILE 46 HD13 ILE 46 -0.112 3.826 0.111 363 H ARG 47 HN ARG 47 4.349 4.622 4.914 364 HA ARG 47 HA ARG 47 3.314 5.266 7.600 365 HB2 ARG 47 HB2 ARG 47 5.594 5.162 8.386 366 HB3 ARG 47 HB1 ARG 47 5.336 3.723 7.409 367 HG2 ARG 47 HG2 ARG 47 6.457 4.836 5.514 368 HG3 ARG 47 HG1 ARG 47 6.726 6.239 6.544 369 HD2 ARG 47 HD2 ARG 47 8.026 4.767 8.083 370 HD3 ARG 47 HD1 ARG 47 7.871 3.474 6.887 371 HE ARG 47 HE ARG 47 9.196 6.052 6.399 372 HH11 ARG 47 HH11 ARG 47 9.094 2.547 5.911 373 HH12 ARG 47 HH12 ARG 47 10.435 2.524 4.856 374 HH21 ARG 47 HH21 ARG 47 11.013 6.007 4.989 375 HH22 ARG 47 HH22 ARG 47 11.578 4.566 4.318 376 H ASP 48 HN ASP 48 4.905 7.292 8.351 377 HA ASP 48 HA ASP 48 4.505 9.312 6.291 378 HB2 ASP 48 HB2 ASP 48 3.833 9.946 8.574 379 HB3 ASP 48 HB1 ASP 48 5.443 9.559 9.170 380 H SER 49 HN SER 49 6.158 10.068 5.114 381 HA SER 49 HA SER 49 8.661 8.661 5.383 382 HB2 SER 49 HB2 SER 49 7.592 9.029 3.129 383 HB3 SER 49 HB1 SER 49 7.819 10.760 3.350 384 HG SER 49 HG SER 49 9.759 10.524 2.671 385 H HIS 50 HN HIS 50 9.978 9.416 6.829 386 HA HIS 50 HA HIS 50 9.713 12.087 7.799 387 HB2 HIS 50 HB2 HIS 50 11.716 10.002 8.570 388 HB3 HIS 50 HB1 HIS 50 11.443 11.563 9.336 389 HD1 HIS 50 HD1 HIS 50 8.064 10.949 9.139 390 HD2 HIS 50 HD2 HIS 50 11.062 8.680 10.972 391 HE1 HIS 50 HE1 HIS 50 6.931 9.497 10.828 392 H SER 51 HN SER 51 10.171 12.908 5.874 393 HA SER 51 HA SER 51 12.932 13.792 5.678 394 HB2 SER 51 HB2 SER 51 11.364 12.590 3.445 395 HB3 SER 51 HB1 SER 51 12.901 13.465 3.189 396 HG SER 51 HG SER 51 13.053 11.531 5.090 397 H PHE 52 HN PHE 52 9.602 14.018 4.417 398 HA PHE 52 HA PHE 52 9.870 16.932 4.392 399 HB2 PHE 52 HB2 PHE 52 8.400 15.250 2.344 400 HB3 PHE 52 HB1 PHE 52 8.497 17.005 2.377 401 HD1 PHE 52 HD1 PHE 52 10.760 18.049 2.116 402 HD2 PHE 52 HD2 PHE 52 9.980 13.986 1.215 403 HE1 PHE 52 HE1 PHE 52 12.788 17.983 0.708 404 HE2 PHE 52 HE2 PHE 52 11.988 13.885 -0.183 405 HZ PHE 52 HZ PHE 52 13.407 15.888 -0.442 406 H GLN 53 HN GLN 53 7.874 17.985 4.818 407 HA GLN 53 HA GLN 53 6.074 16.389 6.409 408 HB2 GLN 53 HB2 GLN 53 5.995 19.338 5.748 409 HB3 GLN 53 HB1 GLN 53 4.960 18.521 6.911 410 HG2 GLN 53 HG2 GLN 53 6.984 17.920 8.205 411 HG3 GLN 53 HG1 GLN 53 7.931 18.878 7.067 412 HE21 GLN 53 HE21 GLN 53 5.601 18.965 9.623 413 HE22 GLN 53 HE22 GLN 53 5.703 20.657 9.938 414 H GLY 54 HN GLY 54 4.373 15.479 5.637 415 HA2 GLY 54 HA2 GLY 54 2.407 15.281 4.397 416 HA3 GLY 54 HA1 GLY 54 2.902 16.665 3.431 417 H ALA 55 HN ALA 55 4.844 13.847 4.147 418 HA ALA 55 HA ALA 55 4.489 12.882 1.421 419 HB1 ALA 55 HB1 ALA 55 6.913 12.323 1.363 420 HB2 ALA 55 HB2 ALA 55 7.131 13.163 2.893 421 HB3 ALA 55 HB3 ALA 55 6.640 14.061 1.454 422 H TYR 56 HN TYR 56 3.811 10.900 1.534 423 HA TYR 56 HA TYR 56 4.111 9.444 4.050 424 HB2 TYR 56 HB2 TYR 56 2.345 8.831 1.671 425 HB3 TYR 56 HB1 TYR 56 2.316 8.031 3.237 426 HD1 TYR 56 HD2 TYR 56 1.811 9.549 5.287 427 HD2 TYR 56 HD1 TYR 56 0.924 10.598 1.268 428 HE1 TYR 56 HE2 TYR 56 0.172 11.199 6.082 429 HE2 TYR 56 HE1 TYR 56 -0.710 12.243 2.051 430 HH TYR 56 HH TYR 56 -0.884 13.222 5.297 431 H GLY 57 HN GLY 57 5.169 7.538 4.089 432 HA2 GLY 57 HA2 GLY 57 6.718 7.005 1.668 433 HA3 GLY 57 HA1 GLY 57 7.273 6.592 3.276 434 H LEU 58 HN LEU 58 5.796 5.537 0.500 435 HA LEU 58 HA LEU 58 4.350 3.341 1.660 436 HB2 LEU 58 HB2 LEU 58 3.385 4.461 -0.280 437 HB3 LEU 58 HB1 LEU 58 4.872 4.304 -1.167 438 HG LEU 58 HG LEU 58 2.921 2.863 -1.918 439 HD11 LEU 58 HD11 LEU 58 5.500 1.474 -1.267 440 HD12 LEU 58 HD12 LEU 58 5.097 2.372 -2.735 441 HD13 LEU 58 HD13 LEU 58 4.262 0.863 -2.363 442 HD21 LEU 58 HD21 LEU 58 2.583 0.739 -0.737 443 HD22 LEU 58 HD22 LEU 58 2.071 2.134 0.202 444 HD23 LEU 58 HD23 LEU 58 3.597 1.325 0.582 445 H ALA 59 HN ALA 59 5.387 1.621 2.241 446 HA ALA 59 HA ALA 59 7.843 0.927 0.815 447 HB1 ALA 59 HB1 ALA 59 8.271 1.499 3.171 448 HB2 ALA 59 HB2 ALA 59 8.606 -0.199 2.851 449 HB3 ALA 59 HB3 ALA 59 7.120 0.264 3.677 450 H LEU 60 HN LEU 60 7.797 -0.849 -0.223 451 HA LEU 60 HA LEU 60 5.576 -2.757 0.188 452 HB2 LEU 60 HB2 LEU 60 5.201 -1.541 -1.852 453 HB3 LEU 60 HB1 LEU 60 6.858 -1.768 -2.357 454 HG LEU 60 HG LEU 60 6.400 -4.209 -2.592 455 HD11 LEU 60 HD11 LEU 60 4.099 -4.984 -2.680 456 HD12 LEU 60 HD12 LEU 60 3.541 -3.408 -2.125 457 HD13 LEU 60 HD13 LEU 60 4.532 -4.417 -1.068 458 HD21 LEU 60 HD21 LEU 60 4.615 -2.403 -4.205 459 HD22 LEU 60 HD22 LEU 60 5.195 -4.003 -4.680 460 HD23 LEU 60 HD23 LEU 60 6.335 -2.672 -4.489 461 H LYS 61 HN LYS 61 6.245 -4.776 0.618 462 HA LYS 61 HA LYS 61 9.093 -5.363 0.397 463 HB2 LYS 61 HB2 LYS 61 7.429 -5.965 2.373 464 HB3 LYS 61 HB1 LYS 61 6.994 -7.309 1.338 465 HG2 LYS 61 HG2 LYS 61 9.748 -6.744 2.463 466 HG3 LYS 61 HG1 LYS 61 8.614 -7.975 3.006 467 HD2 LYS 61 HD2 LYS 61 8.822 -9.120 0.862 468 HD3 LYS 61 HD1 LYS 61 9.851 -7.786 0.308 469 HE2 LYS 61 HE2 LYS 61 11.562 -8.344 1.847 470 HE3 LYS 61 HE1 LYS 61 10.539 -9.530 2.647 471 HZ1 LYS 61 HZ1 LYS 61 11.352 -9.784 -0.207 472 HZ2 LYS 61 HZ2 LYS 61 10.685 -10.973 0.797 473 HZ3 LYS 61 HZ3 LYS 61 12.226 -10.441 1.066 474 H VAL 62 HN VAL 62 9.744 -6.155 -1.513 475 HA VAL 62 HA VAL 62 7.765 -7.593 -3.124 476 HB VAL 62 HB VAL 62 9.166 -7.128 -5.083 477 HG11 VAL 62 HG11 VAL 62 8.544 -4.667 -3.472 478 HG12 VAL 62 HG12 VAL 62 7.454 -5.513 -4.578 479 HG13 VAL 62 HG13 VAL 62 8.877 -4.684 -5.199 480 HG21 VAL 62 HG21 VAL 62 10.942 -5.601 -3.182 481 HG22 VAL 62 HG22 VAL 62 11.081 -5.597 -4.940 482 HG23 VAL 62 HG23 VAL 62 11.357 -7.087 -4.038 483 H ALA 63 HN ALA 63 8.800 -9.298 -4.585 484 HA ALA 63 HA ALA 63 10.160 -11.139 -2.853 485 HB1 ALA 63 HB1 ALA 63 9.352 -11.422 -5.756 486 HB2 ALA 63 HB2 ALA 63 8.379 -11.919 -4.372 487 HB3 ALA 63 HB3 ALA 63 9.915 -12.723 -4.706 488 H THR 64 HN THR 64 10.783 -9.375 -5.808 489 HA THR 64 HA THR 64 13.561 -9.053 -5.222 490 HB THR 64 HB THR 64 14.033 -9.845 -7.700 491 HG1 THR 64 HG1 THR 64 11.965 -10.459 -8.191 492 HG21 THR 64 HG21 THR 64 15.218 -10.769 -5.776 493 HG22 THR 64 HG22 THR 64 14.766 -12.078 -6.868 494 HG23 THR 64 HG23 THR 64 13.836 -11.791 -5.394 495 HA PRO 65 HA PRO 65 12.226 -5.374 -7.511 496 HB2 PRO 65 HB2 PRO 65 15.045 -4.537 -7.115 497 HB3 PRO 65 HB1 PRO 65 13.565 -3.691 -6.665 498 HG2 PRO 65 HG2 PRO 65 15.110 -4.834 -4.806 499 HG3 PRO 65 HG1 PRO 65 13.341 -4.860 -4.668 500 HD2 PRO 65 HD2 PRO 65 15.207 -7.009 -5.624 501 HD3 PRO 65 HD1 PRO 65 13.805 -7.145 -4.508 502 HA PRO 66 HA PRO 66 15.509 -6.127 -10.996 503 HB2 PRO 66 HB2 PRO 66 17.293 -8.170 -10.699 504 HB3 PRO 66 HB1 PRO 66 17.631 -6.542 -10.104 505 HG2 PRO 66 HG2 PRO 66 16.588 -8.845 -8.576 506 HG3 PRO 66 HG1 PRO 66 17.923 -7.744 -8.166 507 HD2 PRO 66 HD2 PRO 66 15.485 -7.614 -7.260 508 HD3 PRO 66 HD1 PRO 66 16.466 -6.127 -7.497 509 HA PRO 67 HA PRO 67 12.560 -9.248 -12.179 510 HB2 PRO 67 HB2 PRO 67 13.026 -9.223 -14.863 511 HB3 PRO 67 HB1 PRO 67 12.102 -7.974 -14.028 512 HG2 PRO 67 HG2 PRO 67 14.947 -7.940 -14.933 513 HG3 PRO 67 HG1 PRO 67 13.745 -6.637 -14.972 514 HD2 PRO 67 HD2 PRO 67 15.713 -6.856 -13.067 515 HD3 PRO 67 HD1 PRO 67 14.143 -6.059 -12.776 516 H SER 68 HN SER 68 15.934 -9.521 -12.982 517 HA SER 68 HA SER 68 15.532 -12.408 -13.292 518 HB2 SER 68 HB2 SER 68 16.441 -11.333 -15.361 519 HB3 SER 68 HB1 SER 68 17.818 -10.758 -14.426 520 HG SER 68 HG SER 68 17.272 -13.244 -15.431 521 H ALA 69 HN ALA 69 17.489 -9.831 -11.962 522 HA ALA 69 HA ALA 69 18.606 -9.590 -10.080 523 HB1 ALA 69 HB1 ALA 69 17.395 -12.180 -9.093 524 HB2 ALA 69 HB2 ALA 69 16.570 -10.626 -9.150 525 HB3 ALA 69 HB3 ALA 69 17.990 -10.807 -8.129 526 H GLN 70 HN GLN 70 19.841 -10.971 -12.228 527 HA GLN 70 HA GLN 70 21.363 -13.149 -11.334 528 HB2 GLN 70 HB2 GLN 70 21.944 -11.285 -13.624 529 HB3 GLN 70 HB1 GLN 70 22.835 -12.766 -13.297 530 HG2 GLN 70 HG2 GLN 70 20.709 -14.008 -13.475 531 HG3 GLN 70 HG1 GLN 70 19.923 -12.513 -13.973 532 HE21 GLN 70 HE21 GLN 70 20.402 -11.663 -16.009 533 HE22 GLN 70 HE22 GLN 70 21.208 -12.594 -17.205 534 HA PRO 71 HA PRO 71 25.054 -9.986 -10.392 535 HB2 PRO 71 HB2 PRO 71 23.311 -7.812 -9.316 536 HB3 PRO 71 HB1 PRO 71 24.875 -7.697 -10.130 537 HG2 PRO 71 HG2 PRO 71 22.682 -7.071 -11.445 538 HG3 PRO 71 HG1 PRO 71 23.947 -8.025 -12.242 539 HD2 PRO 71 HD2 PRO 71 21.337 -8.940 -11.086 540 HD3 PRO 71 HD1 PRO 71 22.142 -9.434 -12.592 541 H TRP 72 HN TRP 72 25.806 -10.874 -8.593 542 HA TRP 72 HA TRP 72 23.997 -11.108 -6.321 543 HB2 TRP 72 HB2 TRP 72 24.681 -13.268 -7.218 544 HB3 TRP 72 HB1 TRP 72 26.376 -12.807 -7.053 545 HD1 TRP 72 HD1 TRP 72 27.452 -12.902 -4.649 546 HE1 TRP 72 HE1 TRP 72 26.709 -13.924 -2.438 547 HE3 TRP 72 HE3 TRP 72 22.564 -13.796 -5.808 548 HZ2 TRP 72 HZ2 TRP 72 24.342 -15.008 -1.309 549 HZ3 TRP 72 HZ3 TRP 72 21.131 -14.834 -4.108 550 HH2 TRP 72 HH2 TRP 72 21.998 -15.428 -1.907 551 H LYS 73 HN LYS 73 24.483 -10.237 -4.514 552 HA LYS 73 HA LYS 73 27.192 -9.495 -3.737 553 HB2 LYS 73 HB2 LYS 73 24.914 -7.523 -3.976 554 HB3 LYS 73 HB1 LYS 73 26.273 -7.253 -2.907 555 HG2 LYS 73 HG2 LYS 73 26.398 -7.526 -5.905 556 HG3 LYS 73 HG1 LYS 73 26.528 -6.027 -4.982 557 HD2 LYS 73 HD2 LYS 73 28.509 -7.033 -3.811 558 HD3 LYS 73 HD1 LYS 73 28.430 -8.364 -4.963 559 HE2 LYS 73 HE2 LYS 73 28.886 -5.460 -5.577 560 HE3 LYS 73 HE1 LYS 73 30.067 -6.760 -5.657 561 HZ1 LYS 73 HZ1 LYS 73 27.675 -6.458 -7.400 562 HZ2 LYS 73 HZ2 LYS 73 28.755 -7.756 -7.475 563 HZ3 LYS 73 HZ3 LYS 73 29.277 -6.206 -7.826 564 H GLY 74 HN GLY 74 24.639 -11.209 -3.043 565 HA2 GLY 74 HA2 GLY 74 23.846 -12.039 -1.043 566 HA3 GLY 74 HA1 GLY 74 24.789 -10.809 -0.192 567 H ASP 75 HN ASP 75 21.725 -11.739 -0.870 568 HA ASP 75 HA ASP 75 20.746 -8.993 -0.826 569 HB2 ASP 75 HB2 ASP 75 18.622 -9.828 -1.773 570 HB3 ASP 75 HB1 ASP 75 19.987 -10.202 -2.813 571 HA PRO 76 HA PRO 76 19.299 -10.177 3.236 572 HB2 PRO 76 HB2 PRO 76 19.336 -7.685 4.283 573 HB3 PRO 76 HB1 PRO 76 20.813 -8.638 4.115 574 HG2 PRO 76 HG2 PRO 76 19.835 -6.357 2.478 575 HG3 PRO 76 HG1 PRO 76 21.496 -6.822 2.877 576 HD2 PRO 76 HD2 PRO 76 20.168 -7.350 0.464 577 HD3 PRO 76 HD1 PRO 76 21.669 -8.111 1.018 578 H VAL 77 HN VAL 77 17.226 -9.961 4.108 579 HA VAL 77 HA VAL 77 15.089 -9.470 2.415 580 HB VAL 77 HB VAL 77 14.954 -10.881 4.429 581 HG11 VAL 77 HG11 VAL 77 14.935 -8.317 5.994 582 HG12 VAL 77 HG12 VAL 77 16.200 -9.541 5.993 583 HG13 VAL 77 HG13 VAL 77 14.607 -9.923 6.647 584 HG21 VAL 77 HG21 VAL 77 12.684 -10.245 5.176 585 HG22 VAL 77 HG22 VAL 77 12.864 -10.151 3.421 586 HG23 VAL 77 HG23 VAL 77 12.892 -8.679 4.386 587 H GLU 78 HN GLU 78 16.791 -7.188 4.321 588 HA GLU 78 HA GLU 78 14.809 -5.163 4.469 589 HB2 GLU 78 HB2 GLU 78 17.801 -4.841 4.627 590 HB3 GLU 78 HB1 GLU 78 16.583 -3.742 5.269 591 HG2 GLU 78 HG2 GLU 78 15.815 -5.590 6.750 592 HG3 GLU 78 HG1 GLU 78 17.205 -6.530 6.208 593 H GLN 79 HN GLN 79 17.111 -6.110 2.063 594 HA GLN 79 HA GLN 79 17.045 -3.666 0.575 595 HB2 GLN 79 HB2 GLN 79 19.007 -5.119 0.439 596 HB3 GLN 79 HB1 GLN 79 18.027 -6.456 -0.114 597 HG2 GLN 79 HG2 GLN 79 18.099 -4.000 -1.787 598 HG3 GLN 79 HG1 GLN 79 19.541 -5.013 -1.753 599 HE21 GLN 79 HE21 GLN 79 19.446 -7.025 -2.695 600 HE22 GLN 79 HE22 GLN 79 18.162 -7.520 -3.737 601 H LEU 80 HN LEU 80 15.231 -6.578 0.712 602 HA LEU 80 HA LEU 80 13.952 -6.278 -1.814 603 HB2 LEU 80 HB2 LEU 80 13.426 -8.079 0.528 604 HB3 LEU 80 HB1 LEU 80 12.378 -8.088 -0.865 605 HG LEU 80 HG LEU 80 13.846 -9.940 -1.067 606 HD11 LEU 80 HD11 LEU 80 13.426 -8.774 -3.112 607 HD12 LEU 80 HD12 LEU 80 15.010 -9.547 -3.112 608 HD13 LEU 80 HD13 LEU 80 14.886 -7.805 -2.877 609 HD21 LEU 80 HD21 LEU 80 15.617 -9.274 0.463 610 HD22 LEU 80 HD22 LEU 80 16.163 -8.059 -0.691 611 HD23 LEU 80 HD23 LEU 80 16.284 -9.772 -1.092 612 H VAL 81 HN VAL 81 13.549 -4.592 0.966 613 HA VAL 81 HA VAL 81 10.736 -4.058 0.509 614 HB VAL 81 HB VAL 81 12.657 -2.878 2.553 615 HG11 VAL 81 HG11 VAL 81 10.827 -1.336 2.051 616 HG12 VAL 81 HG12 VAL 81 10.645 -2.015 3.671 617 HG13 VAL 81 HG13 VAL 81 9.655 -2.622 2.341 618 HG21 VAL 81 HG21 VAL 81 12.262 -5.244 2.939 619 HG22 VAL 81 HG22 VAL 81 10.532 -4.995 2.802 620 HG23 VAL 81 HG23 VAL 81 11.411 -4.297 4.168 621 H ARG 82 HN ARG 82 10.143 -2.590 -0.886 622 HA ARG 82 HA ARG 82 12.070 -0.681 -2.006 623 HB2 ARG 82 HB2 ARG 82 9.251 -1.405 -2.815 624 HB3 ARG 82 HB1 ARG 82 10.270 -0.262 -3.657 625 HG2 ARG 82 HG2 ARG 82 10.878 -3.191 -3.332 626 HG3 ARG 82 HG1 ARG 82 10.103 -2.478 -4.743 627 HD2 ARG 82 HD2 ARG 82 12.329 -2.663 -5.369 628 HD3 ARG 82 HD1 ARG 82 12.161 -0.984 -4.879 629 HE ARG 82 HE ARG 82 13.087 -2.699 -2.770 630 HH11 ARG 82 HH11 ARG 82 14.111 -0.582 -5.425 631 HH12 ARG 82 HH12 ARG 82 15.759 -0.620 -5.008 632 HH21 ARG 82 HH21 ARG 82 15.385 -2.771 -2.220 633 HH22 ARG 82 HH22 ARG 82 16.503 -1.880 -3.137 634 H HIS 83 HN HIS 83 11.588 1.570 -2.058 635 HA HIS 83 HA HIS 83 9.461 2.441 -0.238 636 HB2 HIS 83 HB2 HIS 83 12.321 3.399 -0.286 637 HB3 HIS 83 HB1 HIS 83 11.022 4.291 0.496 638 HD1 HIS 83 HD1 HIS 83 13.398 1.541 1.062 639 HD2 HIS 83 HD2 HIS 83 9.876 2.954 2.712 640 HE1 HIS 83 HE1 HIS 83 13.219 0.474 3.349 641 H PHE 84 HN PHE 84 8.137 3.778 -1.167 642 HA PHE 84 HA PHE 84 9.097 5.657 -3.220 643 HB2 PHE 84 HB2 PHE 84 6.472 4.127 -3.284 644 HB3 PHE 84 HB1 PHE 84 6.985 5.331 -4.451 645 HD1 PHE 84 HD2 PHE 84 8.892 4.802 -5.981 646 HD2 PHE 84 HD1 PHE 84 7.117 1.872 -3.461 647 HE1 PHE 84 HE2 PHE 84 9.883 3.018 -7.353 648 HE2 PHE 84 HE1 PHE 84 8.102 0.088 -4.826 649 HZ PHE 84 HZ PHE 84 9.481 0.652 -6.773 650 H LEU 85 HN LEU 85 8.444 7.740 -2.662 651 HA LEU 85 HA LEU 85 6.496 7.781 -0.521 652 HB2 LEU 85 HB2 LEU 85 7.167 10.077 0.058 653 HB3 LEU 85 HB1 LEU 85 8.441 8.906 0.249 654 HG LEU 85 HG LEU 85 8.309 10.727 -2.162 655 HD11 LEU 85 HD11 LEU 85 8.298 12.101 -0.144 656 HD12 LEU 85 HD12 LEU 85 9.894 12.160 -0.905 657 HD13 LEU 85 HD13 LEU 85 9.619 11.147 0.518 658 HD21 LEU 85 HD21 LEU 85 9.801 8.780 -2.285 659 HD22 LEU 85 HD22 LEU 85 10.515 9.274 -0.745 660 HD23 LEU 85 HD23 LEU 85 10.719 10.294 -2.176 661 H ILE 86 HN ILE 86 4.791 8.908 -0.431 662 HA ILE 86 HA ILE 86 3.664 9.886 -2.953 663 HB ILE 86 HB ILE 86 2.334 9.022 -0.367 664 HG12 ILE 86 HG12 ILE 86 2.351 7.635 -3.049 665 HG13 ILE 86 HG11 ILE 86 3.382 7.178 -1.698 666 HG21 ILE 86 HG21 ILE 86 1.036 10.734 -1.480 667 HG22 ILE 86 HG22 ILE 86 0.221 9.174 -1.639 668 HG23 ILE 86 HG23 ILE 86 1.111 9.849 -3.004 669 HD11 ILE 86 HD11 ILE 86 1.444 5.720 -1.892 670 HD12 ILE 86 HD12 ILE 86 0.373 7.114 -1.736 671 HD13 ILE 86 HD13 ILE 86 1.403 6.636 -0.385 672 H GLU 87 HN GLU 87 3.556 12.006 -3.084 673 HA GLU 87 HA GLU 87 3.862 13.599 -0.650 674 HB2 GLU 87 HB2 GLU 87 4.020 14.441 -3.536 675 HB3 GLU 87 HB1 GLU 87 4.475 15.394 -2.129 676 HG2 GLU 87 HG2 GLU 87 6.291 13.821 -1.664 677 HG3 GLU 87 HG1 GLU 87 5.826 12.884 -3.087 678 H THR 88 HN THR 88 2.335 15.135 -0.151 679 HA THR 88 HA THR 88 -0.004 15.197 -1.862 680 HB THR 88 HB THR 88 -0.528 13.705 -0.052 681 HG1 THR 88 HG1 THR 88 -2.176 15.166 -0.685 682 HG21 THR 88 HG21 THR 88 0.297 15.920 1.809 683 HG22 THR 88 HG22 THR 88 1.063 14.337 1.566 684 HG23 THR 88 HG23 THR 88 -0.542 14.434 2.288 685 H GLY 89 HN GLY 89 -1.250 17.111 -1.709 686 HA2 GLY 89 HA2 GLY 89 -0.543 19.350 -0.184 687 HA3 GLY 89 HA1 GLY 89 0.223 19.467 -1.766 688 HA PRO 90 HA PRO 90 -3.916 21.285 -2.392 689 HB2 PRO 90 HB2 PRO 90 -3.236 22.812 -4.541 690 HB3 PRO 90 HB1 PRO 90 -2.936 23.315 -2.873 691 HG2 PRO 90 HG2 PRO 90 -1.056 22.090 -4.851 692 HG3 PRO 90 HG1 PRO 90 -0.776 23.430 -3.728 693 HD2 PRO 90 HD2 PRO 90 0.086 20.918 -3.235 694 HD3 PRO 90 HD1 PRO 90 -0.409 22.016 -1.935 695 H LYS 91 HN LYS 91 -1.848 19.567 -4.569 696 HA LYS 91 HA LYS 91 -3.693 19.275 -6.737 697 HB2 LYS 91 HB2 LYS 91 -1.273 17.659 -5.947 698 HB3 LYS 91 HB1 LYS 91 -2.156 17.454 -7.444 699 HG2 LYS 91 HG2 LYS 91 -0.861 20.041 -6.649 700 HG3 LYS 91 HG1 LYS 91 -0.050 18.791 -7.597 701 HD2 LYS 91 HD2 LYS 91 -1.801 18.965 -9.300 702 HD3 LYS 91 HD1 LYS 91 -2.595 20.227 -8.353 703 HE2 LYS 91 HE2 LYS 91 -0.724 21.655 -8.563 704 HE3 LYS 91 HE1 LYS 91 0.235 20.389 -9.336 705 HZ1 LYS 91 HZ1 LYS 91 -2.193 21.684 -10.465 706 HZ2 LYS 91 HZ2 LYS 91 -1.319 20.445 -11.196 707 HZ3 LYS 91 HZ3 LYS 91 -0.609 21.946 -10.960 708 H GLY 92 HN GLY 92 -2.544 17.224 -4.147 709 HA2 GLY 92 HA2 GLY 92 -4.641 15.994 -3.151 710 HA3 GLY 92 HA1 GLY 92 -4.456 15.144 -4.693 711 H VAL 93 HN VAL 93 -3.438 13.325 -4.373 712 HA VAL 93 HA VAL 93 -0.887 13.433 -2.929 713 HB VAL 93 HB VAL 93 -1.187 11.172 -2.067 714 HG11 VAL 93 HG11 VAL 93 -3.679 12.728 -1.487 715 HG12 VAL 93 HG12 VAL 93 -2.132 12.916 -0.679 716 HG13 VAL 93 HG13 VAL 93 -3.034 11.409 -0.513 717 HG21 VAL 93 HG21 VAL 93 -3.263 9.867 -2.383 718 HG22 VAL 93 HG22 VAL 93 -2.435 10.165 -3.912 719 HG23 VAL 93 HG23 VAL 93 -3.859 11.110 -3.483 720 H LYS 94 HN LYS 94 0.847 12.474 -4.025 721 HA LYS 94 HA LYS 94 0.301 10.701 -6.226 722 HB2 LYS 94 HB2 LYS 94 1.288 11.920 -8.004 723 HB3 LYS 94 HB1 LYS 94 0.168 13.016 -7.238 724 HG2 LYS 94 HG2 LYS 94 3.175 13.047 -6.951 725 HG3 LYS 94 HG1 LYS 94 2.237 14.135 -7.968 726 HD2 LYS 94 HD2 LYS 94 1.121 14.892 -5.784 727 HD3 LYS 94 HD1 LYS 94 2.402 14.012 -4.955 728 HE2 LYS 94 HE2 LYS 94 2.723 16.350 -6.861 729 HE3 LYS 94 HE1 LYS 94 3.028 16.346 -5.133 730 HZ1 LYS 94 HZ1 LYS 94 4.999 14.908 -5.519 731 HZ2 LYS 94 HZ2 LYS 94 5.053 16.253 -6.488 732 HZ3 LYS 94 HZ3 LYS 94 4.591 14.803 -7.149 733 H ILE 95 HN ILE 95 2.013 9.427 -6.836 734 HA ILE 95 HA ILE 95 4.030 9.089 -4.823 735 HB ILE 95 HB ILE 95 3.724 7.675 -7.507 736 HG12 ILE 95 HG12 ILE 95 2.746 6.803 -4.779 737 HG13 ILE 95 HG11 ILE 95 1.714 7.427 -6.061 738 HG21 ILE 95 HG21 ILE 95 5.962 7.410 -6.555 739 HG22 ILE 95 HG22 ILE 95 5.079 5.884 -6.494 740 HG23 ILE 95 HG23 ILE 95 5.259 6.854 -5.036 741 HD11 ILE 95 HD11 ILE 95 2.327 5.476 -7.440 742 HD12 ILE 95 HD12 ILE 95 1.566 5.020 -5.916 743 HD13 ILE 95 HD13 ILE 95 3.311 4.869 -6.105 744 H LYS 96 HN LYS 96 6.180 9.600 -4.989 745 HA LYS 96 HA LYS 96 7.022 11.727 -6.552 746 HB2 LYS 96 HB2 LYS 96 8.172 11.148 -4.501 747 HB3 LYS 96 HB1 LYS 96 8.676 9.609 -5.176 748 HG2 LYS 96 HG2 LYS 96 10.545 11.147 -5.170 749 HG3 LYS 96 HG1 LYS 96 10.066 10.805 -6.832 750 HD2 LYS 96 HD2 LYS 96 10.436 13.145 -6.766 751 HD3 LYS 96 HD1 LYS 96 8.685 12.940 -6.693 752 HE2 LYS 96 HE2 LYS 96 8.809 13.158 -4.237 753 HE3 LYS 96 HE1 LYS 96 10.529 13.512 -4.391 754 HZ1 LYS 96 HZ1 LYS 96 9.239 15.518 -4.238 755 HZ2 LYS 96 HZ2 LYS 96 8.272 15.065 -5.480 756 HZ3 LYS 96 HZ3 LYS 96 9.907 15.459 -5.788 757 H GLY 97 HN GLY 97 7.755 8.280 -7.074 758 HA2 GLY 97 HA2 GLY 97 8.945 9.044 -9.637 759 HA3 GLY 97 HA1 GLY 97 9.346 7.586 -8.740 760 H CYS 98 HN CYS 98 6.345 9.082 -9.853 761 HA CYS 98 HA CYS 98 5.384 6.480 -10.587 762 HB2 CYS 98 HB2 CYS 98 3.328 7.765 -11.182 763 HB3 CYS 98 HB1 CYS 98 3.791 7.743 -9.485 764 HG CYS 98 HG CYS 98 4.280 10.301 -9.199 765 HA PRO 99 HA PRO 99 6.689 7.006 -14.832 766 HB2 PRO 99 HB2 PRO 99 4.953 4.648 -15.254 767 HB3 PRO 99 HB1 PRO 99 6.661 4.858 -15.631 768 HG2 PRO 99 HG2 PRO 99 5.901 3.323 -13.593 769 HG3 PRO 99 HG1 PRO 99 7.343 4.350 -13.485 770 HD2 PRO 99 HD2 PRO 99 4.610 4.811 -12.344 771 HD3 PRO 99 HD1 PRO 99 6.219 5.083 -11.631 772 H SER 100 HN SER 100 3.281 6.536 -13.827 773 HA SER 100 HA SER 100 2.546 8.328 -16.025 774 HB2 SER 100 HB2 SER 100 1.252 5.621 -15.698 775 HB3 SER 100 HB1 SER 100 0.770 6.862 -16.849 776 HG SER 100 HG SER 100 3.351 6.528 -17.128 777 H GLU 101 HN GLU 101 1.868 7.089 -12.865 778 HA GLU 101 HA GLU 101 -0.765 7.649 -12.547 779 HB2 GLU 101 HB2 GLU 101 1.422 7.848 -10.491 780 HB3 GLU 101 HB1 GLU 101 -0.290 7.872 -10.128 781 HG2 GLU 101 HG2 GLU 101 0.222 5.685 -9.719 782 HG3 GLU 101 HG1 GLU 101 -0.322 5.602 -11.387 783 HA PRO 102 HA PRO 102 -0.934 12.089 -12.414 784 HB2 PRO 102 HB2 PRO 102 -3.592 12.303 -12.304 785 HB3 PRO 102 HB1 PRO 102 -2.805 11.723 -13.776 786 HG2 PRO 102 HG2 PRO 102 -4.179 10.166 -11.629 787 HG3 PRO 102 HG1 PRO 102 -4.257 9.950 -13.386 788 HD2 PRO 102 HD2 PRO 102 -2.660 8.473 -11.683 789 HD3 PRO 102 HD1 PRO 102 -2.365 8.687 -13.423 790 H TYR 103 HN TYR 103 -2.883 13.371 -10.921 791 HA TYR 103 HA TYR 103 -1.950 12.830 -8.229 792 HB2 TYR 103 HB2 TYR 103 -3.810 15.013 -9.215 793 HB3 TYR 103 HB1 TYR 103 -3.001 14.951 -7.653 794 HD1 TYR 103 HD1 TYR 103 -0.441 15.020 -7.651 795 HD2 TYR 103 HD2 TYR 103 -2.781 16.067 -11.035 796 HE1 TYR 103 HE1 TYR 103 1.477 16.239 -8.598 797 HE2 TYR 103 HE2 TYR 103 -0.875 17.288 -11.988 798 HH TYR 103 HH TYR 103 2.239 16.913 -10.898 799 H PHE 104 HN PHE 104 -3.146 11.797 -6.749 800 HA PHE 104 HA PHE 104 -5.898 11.052 -7.484 801 HB2 PHE 104 HB2 PHE 104 -4.156 9.840 -5.310 802 HB3 PHE 104 HB1 PHE 104 -5.676 9.225 -5.919 803 HD1 PHE 104 HD2 PHE 104 -5.799 8.156 -8.138 804 HD2 PHE 104 HD1 PHE 104 -2.095 9.410 -6.461 805 HE1 PHE 104 HE2 PHE 104 -4.573 6.750 -9.766 806 HE2 PHE 104 HE1 PHE 104 -0.886 8.004 -8.082 807 HZ PHE 104 HZ PHE 104 -2.136 6.681 -9.726 808 H GLY 105 HN GLY 105 -7.429 11.073 -5.653 809 HA2 GLY 105 HA2 GLY 105 -7.066 13.505 -4.127 810 HA3 GLY 105 HA1 GLY 105 -8.525 12.521 -4.210 811 H SER 106 HN SER 106 -7.903 10.155 -3.381 812 HA SER 106 HA SER 106 -6.803 10.577 -0.697 813 HB2 SER 106 HB2 SER 106 -8.974 8.646 -1.564 814 HB3 SER 106 HB1 SER 106 -8.418 8.917 0.089 815 HG SER 106 HG SER 106 -9.017 11.259 -0.621 816 H LEU 107 HN LEU 107 -5.589 8.820 0.186 817 HA LEU 107 HA LEU 107 -3.788 7.537 -1.535 818 HB2 LEU 107 HB2 LEU 107 -4.545 6.825 1.299 819 HB3 LEU 107 HB1 LEU 107 -3.166 6.160 0.451 820 HG LEU 107 HG LEU 107 -3.531 9.066 1.204 821 HD11 LEU 107 HD11 LEU 107 -1.749 6.938 2.361 822 HD12 LEU 107 HD12 LEU 107 -3.158 7.652 3.144 823 HD13 LEU 107 HD13 LEU 107 -1.738 8.642 2.806 824 HD21 LEU 107 HD21 LEU 107 -1.189 9.296 0.527 825 HD22 LEU 107 HD22 LEU 107 -2.209 8.815 -0.829 826 HD23 LEU 107 HD23 LEU 107 -1.186 7.622 -0.026 827 H SER 108 HN SER 108 -6.793 6.451 -0.114 828 HA SER 108 HA SER 108 -6.810 3.768 -0.453 829 HB2 SER 108 HB2 SER 108 -9.163 5.528 -1.061 830 HB3 SER 108 HB1 SER 108 -9.120 3.964 -0.233 831 HG SER 108 HG SER 108 -9.368 5.769 1.169 832 H ALA 109 HN ALA 109 -7.275 6.255 -2.938 833 HA ALA 109 HA ALA 109 -8.453 4.544 -4.881 834 HB1 ALA 109 HB1 ALA 109 -8.757 6.998 -4.893 835 HB2 ALA 109 HB2 ALA 109 -8.144 6.401 -6.435 836 HB3 ALA 109 HB3 ALA 109 -7.054 7.187 -5.292 837 H LEU 110 HN LEU 110 -5.139 5.656 -4.327 838 HA LEU 110 HA LEU 110 -4.265 4.293 -6.663 839 HB2 LEU 110 HB2 LEU 110 -1.941 4.852 -5.937 840 HB3 LEU 110 HB1 LEU 110 -2.992 6.234 -6.064 841 HG LEU 110 HG LEU 110 -3.210 6.001 -3.476 842 HD11 LEU 110 HD11 LEU 110 -2.132 3.845 -3.238 843 HD12 LEU 110 HD12 LEU 110 -1.256 5.091 -2.358 844 HD13 LEU 110 HD13 LEU 110 -0.634 4.500 -3.900 845 HD21 LEU 110 HD21 LEU 110 -1.241 7.403 -3.163 846 HD22 LEU 110 HD22 LEU 110 -2.144 7.865 -4.609 847 HD23 LEU 110 HD23 LEU 110 -0.650 6.937 -4.757 848 H VAL 111 HN VAL 111 -4.365 3.585 -3.278 849 HA VAL 111 HA VAL 111 -2.874 1.230 -3.266 850 HB VAL 111 HB VAL 111 -5.190 2.065 -1.491 851 HG11 VAL 111 HG11 VAL 111 -3.222 -0.179 -1.135 852 HG12 VAL 111 HG12 VAL 111 -4.963 -0.346 -1.384 853 HG13 VAL 111 HG13 VAL 111 -4.344 0.379 0.105 854 HG21 VAL 111 HG21 VAL 111 -3.412 2.587 0.118 855 HG22 VAL 111 HG22 VAL 111 -3.264 3.529 -1.361 856 HG23 VAL 111 HG23 VAL 111 -2.203 2.146 -1.088 857 H SER 112 HN SER 112 -6.328 1.713 -3.835 858 HA SER 112 HA SER 112 -6.938 -1.031 -4.020 859 HB2 SER 112 HB2 SER 112 -9.136 -0.125 -4.980 860 HB3 SER 112 HB1 SER 112 -8.684 0.468 -3.380 861 HG SER 112 HG SER 112 -8.303 2.355 -4.126 862 H GLN 113 HN GLN 113 -6.082 1.397 -6.450 863 HA GLN 113 HA GLN 113 -6.795 -0.394 -8.577 864 HB2 GLN 113 HB2 GLN 113 -6.119 1.301 -10.116 865 HB3 GLN 113 HB1 GLN 113 -6.999 2.067 -8.805 866 HG2 GLN 113 HG2 GLN 113 -4.867 2.750 -7.808 867 HG3 GLN 113 HG1 GLN 113 -4.012 2.030 -9.170 868 HE21 GLN 113 HE21 GLN 113 -7.045 3.758 -9.382 869 HE22 GLN 113 HE22 GLN 113 -6.431 5.106 -10.259 870 H HIS 114 HN HIS 114 -3.875 0.352 -6.821 871 HA HIS 114 HA HIS 114 -2.217 -0.838 -8.817 872 HB2 HIS 114 HB2 HIS 114 -1.538 0.029 -6.014 873 HB3 HIS 114 HB1 HIS 114 -0.364 -0.682 -7.117 874 HD1 HIS 114 HD1 HIS 114 -1.317 0.958 -9.704 875 HD2 HIS 114 HD2 HIS 114 -0.535 2.545 -5.939 876 HE1 HIS 114 HE1 HIS 114 -0.767 3.392 -10.057 877 H SER 115 HN SER 115 -4.282 -2.249 -6.733 878 HA SER 115 HA SER 115 -2.804 -4.660 -6.295 879 HB2 SER 115 HB2 SER 115 -5.795 -4.194 -6.335 880 HB3 SER 115 HB1 SER 115 -4.954 -5.571 -5.623 881 HG SER 115 HG SER 115 -3.890 -4.050 -4.266 882 H ILE 116 HN ILE 116 -4.413 -3.144 -8.847 883 HA ILE 116 HA ILE 116 -4.749 -5.622 -10.388 884 HB ILE 116 HB ILE 116 -5.928 -2.871 -10.879 885 HG12 ILE 116 HG12 ILE 116 -7.325 -5.347 -9.828 886 HG13 ILE 116 HG11 ILE 116 -6.775 -4.023 -8.808 887 HG21 ILE 116 HG21 ILE 116 -5.645 -4.198 -12.919 888 HG22 ILE 116 HG22 ILE 116 -7.350 -4.015 -12.519 889 HG23 ILE 116 HG23 ILE 116 -6.523 -5.538 -12.179 890 HD11 ILE 116 HD11 ILE 116 -8.293 -2.504 -9.939 891 HD12 ILE 116 HD12 ILE 116 -9.171 -3.891 -9.288 892 HD13 ILE 116 HD13 ILE 116 -8.817 -3.798 -11.012 893 H SER 117 HN SER 117 -3.943 -2.180 -10.810 894 HA SER 117 HA SER 117 -2.050 -2.902 -12.922 895 HB2 SER 117 HB2 SER 117 -3.562 -0.314 -12.501 896 HB3 SER 117 HB1 SER 117 -2.520 -0.708 -13.868 897 HG SER 117 HG SER 117 -4.013 -1.930 -14.697 898 HA PRO 118 HA PRO 118 0.663 -0.898 -9.864 899 HB2 PRO 118 HB2 PRO 118 2.744 -2.673 -10.243 900 HB3 PRO 118 HB1 PRO 118 1.469 -2.871 -9.043 901 HG2 PRO 118 HG2 PRO 118 1.950 -4.455 -11.396 902 HG3 PRO 118 HG1 PRO 118 0.703 -4.681 -10.167 903 HD2 PRO 118 HD2 PRO 118 0.503 -3.426 -12.829 904 HD3 PRO 118 HD1 PRO 118 -0.778 -4.095 -11.790 905 H ILE 119 HN ILE 119 1.294 0.954 -10.902 906 HA ILE 119 HA ILE 119 2.824 0.671 -13.349 907 HB ILE 119 HB ILE 119 1.852 3.261 -12.102 908 HG12 ILE 119 HG12 ILE 119 0.472 1.625 -14.254 909 HG13 ILE 119 HG11 ILE 119 -0.037 1.659 -12.572 910 HG21 ILE 119 HG21 ILE 119 2.111 4.121 -14.397 911 HG22 ILE 119 HG22 ILE 119 2.671 2.533 -14.928 912 HG23 ILE 119 HG23 ILE 119 3.630 3.468 -13.782 913 HD11 ILE 119 HD11 ILE 119 -0.527 4.050 -12.767 914 HD12 ILE 119 HD12 ILE 119 -1.414 3.115 -13.964 915 HD13 ILE 119 HD13 ILE 119 0.018 4.025 -14.446 916 H SER 120 HN SER 120 3.118 2.865 -10.489 917 HA SER 120 HA SER 120 5.889 3.101 -10.670 918 HB2 SER 120 HB2 SER 120 4.129 3.372 -8.222 919 HB3 SER 120 HB1 SER 120 5.794 3.936 -8.339 920 HG SER 120 HG SER 120 3.578 4.769 -9.890 921 H LEU 121 HN LEU 121 3.867 0.753 -9.063 922 HA LEU 121 HA LEU 121 5.999 -0.409 -7.533 923 HB2 LEU 121 HB2 LEU 121 3.160 -1.328 -7.960 924 HB3 LEU 121 HB1 LEU 121 4.291 -2.051 -6.841 925 HG LEU 121 HG LEU 121 2.846 -0.807 -5.554 926 HD11 LEU 121 HD11 LEU 121 5.281 0.889 -5.898 927 HD12 LEU 121 HD12 LEU 121 5.076 -0.504 -4.834 928 HD13 LEU 121 HD13 LEU 121 4.148 0.969 -4.548 929 HD21 LEU 121 HD21 LEU 121 3.169 1.537 -7.412 930 HD22 LEU 121 HD22 LEU 121 2.260 1.540 -5.896 931 HD23 LEU 121 HD23 LEU 121 1.747 0.505 -7.228 932 HA PRO 122 HA PRO 122 7.191 -3.312 -10.735 933 HB2 PRO 122 HB2 PRO 122 8.633 -5.021 -9.180 934 HB3 PRO 122 HB1 PRO 122 9.244 -3.440 -9.681 935 HG2 PRO 122 HG2 PRO 122 7.993 -4.253 -7.091 936 HG3 PRO 122 HG1 PRO 122 9.423 -3.238 -7.366 937 HD2 PRO 122 HD2 PRO 122 6.995 -2.204 -6.780 938 HD3 PRO 122 HD1 PRO 122 8.147 -1.370 -7.846 939 H CYS 123 HN CYS 123 5.403 -4.119 -7.907 940 HA CYS 123 HA CYS 123 4.124 -6.299 -9.300 941 HB2 CYS 123 HB2 CYS 123 4.243 -7.758 -7.319 942 HB3 CYS 123 HB1 CYS 123 5.860 -7.392 -7.909 943 HG CYS 123 HG CYS 123 4.572 -5.468 -5.467 944 H CYS 124 HN CYS 124 2.050 -6.818 -8.029 945 HA CYS 124 HA CYS 124 0.791 -4.310 -7.637 946 HB2 CYS 124 HB2 CYS 124 -1.244 -5.662 -7.264 947 HB3 CYS 124 HB1 CYS 124 -0.397 -6.061 -8.751 948 HG CYS 124 HG CYS 124 -0.343 -8.567 -8.298 949 H LEU 125 HN LEU 125 -0.474 -3.684 -5.844 950 HA LEU 125 HA LEU 125 0.849 -4.122 -3.330 951 HB2 LEU 125 HB2 LEU 125 -1.563 -2.466 -4.057 952 HB3 LEU 125 HB1 LEU 125 -0.886 -2.550 -2.449 953 HG LEU 125 HG LEU 125 0.412 -1.365 -4.902 954 HD11 LEU 125 HD11 LEU 125 -0.587 -0.167 -2.326 955 HD12 LEU 125 HD12 LEU 125 -1.353 -0.026 -3.898 956 HD13 LEU 125 HD13 LEU 125 0.228 0.722 -3.618 957 HD21 LEU 125 HD21 LEU 125 1.467 -1.667 -2.089 958 HD22 LEU 125 HD22 LEU 125 2.219 -0.693 -3.350 959 HD23 LEU 125 HD23 LEU 125 2.115 -2.446 -3.537 960 H ARG 126 HN ARG 126 0.259 -5.888 -2.105 961 HA ARG 126 HA ARG 126 -2.441 -6.941 -2.419 962 HB2 ARG 126 HB2 ARG 126 -0.034 -8.084 -0.967 963 HB3 ARG 126 HB1 ARG 126 -1.628 -8.793 -0.896 964 HG2 ARG 126 HG2 ARG 126 -0.309 -10.073 -2.411 965 HG3 ARG 126 HG1 ARG 126 -1.483 -9.171 -3.363 966 HD2 ARG 126 HD2 ARG 126 0.152 -7.664 -4.125 967 HD3 ARG 126 HD1 ARG 126 1.318 -8.193 -2.915 968 HE ARG 126 HE ARG 126 0.487 -10.283 -4.683 969 HH11 ARG 126 HH11 ARG 126 2.622 -7.508 -4.533 970 HH12 ARG 126 HH12 ARG 126 3.907 -8.231 -5.394 971 HH21 ARG 126 HH21 ARG 126 2.173 -11.281 -5.925 972 HH22 ARG 126 HH22 ARG 126 3.628 -10.471 -6.233 973 H ILE 127 HN ILE 127 -3.799 -5.794 -1.215 974 HA ILE 127 HA ILE 127 -3.057 -4.605 1.264 975 HB ILE 127 HB ILE 127 -5.873 -5.138 0.183 976 HG12 ILE 127 HG12 ILE 127 -5.966 -2.658 -0.122 977 HG13 ILE 127 HG11 ILE 127 -4.271 -2.569 0.314 978 HG21 ILE 127 HG21 ILE 127 -6.685 -3.616 1.918 979 HG22 ILE 127 HG22 ILE 127 -5.029 -3.454 2.514 980 HG23 ILE 127 HG23 ILE 127 -5.847 -5.015 2.627 981 HD11 ILE 127 HD11 ILE 127 -4.605 -2.400 -2.080 982 HD12 ILE 127 HD12 ILE 127 -5.419 -3.965 -2.086 983 HD13 ILE 127 HD13 ILE 127 -3.708 -3.861 -1.671 984 HA PRO 128 HA PRO 128 -2.795 -8.321 3.660 985 HB2 PRO 128 HB2 PRO 128 -3.698 -6.410 5.780 986 HB3 PRO 128 HB1 PRO 128 -2.404 -7.613 5.838 987 HG2 PRO 128 HG2 PRO 128 -1.818 -5.053 5.470 988 HG3 PRO 128 HG1 PRO 128 -0.954 -6.316 4.576 989 HD2 PRO 128 HD2 PRO 128 -3.026 -4.411 3.623 990 HD3 PRO 128 HD1 PRO 128 -1.669 -5.145 2.745 991 H SER 129 HN SER 129 -5.538 -6.136 4.422 992 HA SER 129 HA SER 129 -7.681 -6.436 4.900 993 HB2 SER 129 HB2 SER 129 -7.470 -8.969 3.266 994 HB3 SER 129 HB1 SER 129 -8.864 -7.912 3.584 995 HG SER 129 HG SER 129 -6.622 -7.445 1.959 996 H LYS 130 HN LYS 130 -5.573 -7.815 6.460 997 HA LYS 130 HA LYS 130 -7.262 -9.348 8.215 998 HB2 LYS 130 HB2 LYS 130 -6.144 -11.011 6.699 999 HB3 LYS 130 HB1 LYS 130 -4.587 -10.331 7.115 1000 HG2 LYS 130 HG2 LYS 130 -6.401 -11.625 9.154 1001 HG3 LYS 130 HG1 LYS 130 -5.223 -12.537 8.217 1002 HD2 LYS 130 HD2 LYS 130 -3.404 -11.284 9.177 1003 HD3 LYS 130 HD1 LYS 130 -4.524 -10.169 9.955 1004 HE2 LYS 130 HE2 LYS 130 -5.387 -12.068 11.294 1005 HE3 LYS 130 HE1 LYS 130 -4.154 -13.092 10.565 1006 HZ1 LYS 130 HZ1 LYS 130 -3.559 -12.188 12.763 1007 HZ2 LYS 130 HZ2 LYS 130 -3.571 -10.631 12.109 1008 HZ3 LYS 130 HZ3 LYS 130 -2.438 -11.754 11.574 1009 H ASP 131 HN ASP 131 -6.804 -8.727 10.224 1010 HA ASP 131 HA ASP 131 -4.398 -7.109 10.688 1011 HB2 ASP 131 HB2 ASP 131 -6.567 -5.873 10.937 1012 HB3 ASP 131 HB1 ASP 131 -7.050 -7.026 12.174 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -33.811 -22.775 29.597 2 H2 MET 1 HT2 MET 1 -33.928 -21.216 28.966 3 H3 MET 1 HT3 MET 1 -32.551 -21.675 29.836 4 HA MET 1 HA MET 1 -32.144 -21.635 27.462 5 HB2 MET 1 HB2 MET 1 -32.160 -24.361 28.759 6 HB3 MET 1 HB1 MET 1 -31.409 -24.050 27.205 7 HG2 MET 1 HG2 MET 1 -30.649 -22.750 29.814 8 HG3 MET 1 HG1 MET 1 -29.803 -24.089 29.042 9 HE1 MET 1 HE1 MET 1 -29.827 -23.308 25.944 10 HE2 MET 1 HE2 MET 1 -28.405 -23.888 26.806 11 HE3 MET 1 HE3 MET 1 -28.304 -22.424 25.832 12 H HIS 2 HN HIS 2 -32.438 -22.907 25.458 13 HA HIS 2 HA HIS 2 -35.133 -24.012 25.161 14 HB2 HIS 2 HB2 HIS 2 -33.730 -21.978 23.439 15 HB3 HIS 2 HB1 HIS 2 -35.016 -22.987 22.803 16 HD1 HIS 2 HD1 HIS 2 -34.388 -20.039 25.014 17 HD2 HIS 2 HD2 HIS 2 -37.565 -22.395 23.745 18 HE1 HIS 2 HE1 HIS 2 -36.481 -18.794 25.627 19 H HIS 3 HN HIS 3 -35.231 -25.272 23.019 20 HA HIS 3 HA HIS 3 -32.717 -26.707 22.795 21 HB2 HIS 3 HB2 HIS 3 -33.955 -28.516 21.657 22 HB3 HIS 3 HB1 HIS 3 -34.645 -28.151 23.228 23 HD1 HIS 3 HD1 HIS 3 -35.414 -27.880 19.523 24 HD2 HIS 3 HD2 HIS 3 -37.268 -27.349 23.210 25 HE1 HIS 3 HE1 HIS 3 -37.856 -27.624 19.047 26 H HIS 4 HN HIS 4 -34.667 -24.495 21.127 27 HA HIS 4 HA HIS 4 -32.761 -24.541 18.908 28 HB2 HIS 4 HB2 HIS 4 -35.028 -25.626 18.311 29 HB3 HIS 4 HB1 HIS 4 -35.734 -24.040 18.573 30 HD1 HIS 4 HD1 HIS 4 -35.727 -22.470 16.553 31 HD2 HIS 4 HD2 HIS 4 -33.096 -25.667 16.155 32 HE1 HIS 4 HE1 HIS 4 -34.833 -22.353 14.219 33 H HIS 5 HN HIS 5 -32.278 -22.355 18.200 34 HA HIS 5 HA HIS 5 -33.542 -20.313 19.882 35 HB2 HIS 5 HB2 HIS 5 -31.365 -19.141 20.083 36 HB3 HIS 5 HB1 HIS 5 -31.347 -20.725 20.838 37 HD1 HIS 5 HD1 HIS 5 -29.322 -22.129 20.263 38 HD2 HIS 5 HD2 HIS 5 -30.057 -19.191 17.411 39 HE1 HIS 5 HE1 HIS 5 -27.431 -22.245 18.646 40 H HIS 6 HN HIS 6 -33.131 -18.075 19.056 41 HA HIS 6 HA HIS 6 -33.497 -18.077 16.173 42 HB2 HIS 6 HB2 HIS 6 -34.031 -15.900 18.228 43 HB3 HIS 6 HB1 HIS 6 -34.248 -15.700 16.497 44 HD1 HIS 6 HD1 HIS 6 -36.403 -16.796 15.436 45 HD2 HIS 6 HD2 HIS 6 -35.978 -17.409 19.535 46 HE1 HIS 6 HE1 HIS 6 -38.609 -17.664 16.246 47 H HIS 7 HN HIS 7 -31.722 -17.846 15.098 48 HA HIS 7 HA HIS 7 -29.415 -16.755 16.402 49 HB2 HIS 7 HB2 HIS 7 -28.140 -17.500 14.391 50 HB3 HIS 7 HB1 HIS 7 -29.022 -18.793 15.179 51 HD1 HIS 7 HD1 HIS 7 -28.266 -17.585 11.912 52 HD2 HIS 7 HD2 HIS 7 -31.631 -19.230 13.707 53 HE1 HIS 7 HE1 HIS 7 -29.717 -18.449 10.036 54 H SER 8 HN SER 8 -28.606 -14.853 16.177 55 HA SER 8 HA SER 8 -29.638 -13.084 14.054 56 HB2 SER 8 HB2 SER 8 -29.011 -12.328 16.918 57 HB3 SER 8 HB1 SER 8 -29.763 -11.313 15.687 58 HG SER 8 HG SER 8 -31.376 -13.098 15.635 59 H SER 9 HN SER 9 -28.078 -11.414 13.393 60 HA SER 9 HA SER 9 -25.343 -12.210 13.943 61 HB2 SER 9 HB2 SER 9 -26.448 -10.255 11.905 62 HB3 SER 9 HB1 SER 9 -24.762 -10.758 12.035 63 HG SER 9 HG SER 9 -25.546 -12.941 11.709 64 H GLY 10 HN GLY 10 -24.743 -11.391 15.834 65 HA2 GLY 10 HA2 GLY 10 -25.511 -8.667 16.516 66 HA3 GLY 10 HA1 GLY 10 -24.894 -9.889 17.622 67 H LEU 11 HN LEU 11 -24.006 -7.765 14.972 68 HA LEU 11 HA LEU 11 -21.573 -7.078 16.277 69 HB2 LEU 11 HB2 LEU 11 -20.029 -7.674 14.533 70 HB3 LEU 11 HB1 LEU 11 -20.891 -9.125 14.965 71 HG LEU 11 HG LEU 11 -21.419 -7.468 12.481 72 HD11 LEU 11 HD11 LEU 11 -20.340 -9.307 11.282 73 HD12 LEU 11 HD12 LEU 11 -19.941 -10.069 12.821 74 HD13 LEU 11 HD13 LEU 11 -19.237 -8.507 12.401 75 HD21 LEU 11 HD21 LEU 11 -23.403 -8.720 13.193 76 HD22 LEU 11 HD22 LEU 11 -22.450 -10.198 13.287 77 HD23 LEU 11 HD23 LEU 11 -22.719 -9.424 11.726 78 H VAL 12 HN VAL 12 -20.506 -5.311 14.917 79 HA VAL 12 HA VAL 12 -22.614 -3.985 13.429 80 HB VAL 12 HB VAL 12 -22.270 -2.742 15.472 81 HG11 VAL 12 HG11 VAL 12 -20.153 -1.696 16.089 82 HG12 VAL 12 HG12 VAL 12 -19.356 -2.542 14.763 83 HG13 VAL 12 HG13 VAL 12 -20.063 -3.454 16.097 84 HG21 VAL 12 HG21 VAL 12 -22.733 -1.397 13.506 85 HG22 VAL 12 HG22 VAL 12 -21.008 -1.278 13.157 86 HG23 VAL 12 HG23 VAL 12 -21.668 -0.518 14.604 87 HA PRO 13 HA PRO 13 -19.644 -4.537 10.097 88 HB2 PRO 13 HB2 PRO 13 -21.860 -3.434 8.504 89 HB3 PRO 13 HB1 PRO 13 -21.038 -4.990 8.340 90 HG2 PRO 13 HG2 PRO 13 -23.561 -4.804 9.250 91 HG3 PRO 13 HG1 PRO 13 -22.436 -6.036 9.848 92 HD2 PRO 13 HD2 PRO 13 -23.289 -3.468 11.114 93 HD3 PRO 13 HD1 PRO 13 -23.020 -5.073 11.840 94 H ARG 14 HN ARG 14 -18.176 -2.957 10.022 95 HA ARG 14 HA ARG 14 -19.091 -0.220 10.089 96 HB2 ARG 14 HB2 ARG 14 -16.338 -1.387 10.474 97 HB3 ARG 14 HB1 ARG 14 -16.714 0.333 10.582 98 HG2 ARG 14 HG2 ARG 14 -18.243 -0.075 12.412 99 HG3 ARG 14 HG1 ARG 14 -17.976 -1.809 12.273 100 HD2 ARG 14 HD2 ARG 14 -15.598 -1.429 12.847 101 HD3 ARG 14 HD1 ARG 14 -15.968 0.277 13.071 102 HE ARG 14 HE ARG 14 -17.457 -0.324 14.840 103 HH11 ARG 14 HH11 ARG 14 -15.156 -2.827 13.847 104 HH12 ARG 14 HH12 ARG 14 -15.213 -3.682 15.314 105 HH21 ARG 14 HH21 ARG 14 -17.535 -1.510 16.874 106 HH22 ARG 14 HH22 ARG 14 -16.615 -2.927 17.080 107 H GLY 15 HN GLY 15 -17.462 1.292 8.835 108 HA2 GLY 15 HA2 GLY 15 -18.284 0.814 6.119 109 HA3 GLY 15 HA1 GLY 15 -17.626 2.297 6.790 110 H SER 16 HN SER 16 -16.485 -0.953 6.517 111 HA SER 16 HA SER 16 -14.555 -1.891 5.730 112 HB2 SER 16 HB2 SER 16 -14.985 0.229 3.644 113 HB3 SER 16 HB1 SER 16 -14.045 -1.263 3.417 114 HG SER 16 HG SER 16 -15.830 -2.339 3.184 115 H ASP 17 HN ASP 17 -13.876 -0.369 7.772 116 HA ASP 17 HA ASP 17 -11.929 1.592 7.094 117 HB2 ASP 17 HB2 ASP 17 -13.125 1.678 9.253 118 HB3 ASP 17 HB1 ASP 17 -12.305 0.200 9.751 119 H THR 18 HN THR 18 -10.462 0.721 5.751 120 HA THR 18 HA THR 18 -8.985 -1.592 6.690 121 HB THR 18 HB THR 18 -8.330 -1.746 4.222 122 HG1 THR 18 HG1 THR 18 -10.383 -0.601 3.143 123 HG21 THR 18 HG21 THR 18 -9.993 -3.245 5.265 124 HG22 THR 18 HG22 THR 18 -10.485 -2.812 3.627 125 HG23 THR 18 HG23 THR 18 -11.242 -2.028 5.015 126 H SER 19 HN SER 19 -8.656 1.624 6.371 127 HA SER 19 HA SER 19 -6.065 1.858 5.249 128 HB2 SER 19 HB2 SER 19 -7.545 3.787 5.249 129 HB3 SER 19 HB1 SER 19 -7.549 3.829 7.007 130 HG SER 19 HG SER 19 -6.033 5.233 5.616 131 H LYS 20 HN LYS 20 -7.145 1.762 8.612 132 HA LYS 20 HA LYS 20 -4.600 2.087 9.703 133 HB2 LYS 20 HB2 LYS 20 -5.614 1.183 11.834 134 HB3 LYS 20 HB1 LYS 20 -6.379 2.594 11.130 135 HG2 LYS 20 HG2 LYS 20 -8.130 1.233 11.856 136 HG3 LYS 20 HG1 LYS 20 -8.068 1.005 10.116 137 HD2 LYS 20 HD2 LYS 20 -6.823 -1.105 10.490 138 HD3 LYS 20 HD1 LYS 20 -7.007 -0.868 12.231 139 HE2 LYS 20 HE2 LYS 20 -9.187 -1.286 10.184 140 HE3 LYS 20 HE1 LYS 20 -8.730 -2.367 11.496 141 HZ1 LYS 20 HZ1 LYS 20 -9.454 -0.573 13.059 142 HZ2 LYS 20 HZ2 LYS 20 -10.687 -1.214 12.122 143 HZ3 LYS 20 HZ3 LYS 20 -10.042 0.286 11.714 144 H PHE 21 HN PHE 21 -5.545 -0.543 7.973 145 HA PHE 21 HA PHE 21 -3.977 -2.439 9.482 146 HB2 PHE 21 HB2 PHE 21 -5.203 -2.591 6.726 147 HB3 PHE 21 HB1 PHE 21 -4.272 -3.903 7.418 148 HD1 PHE 21 HD1 PHE 21 -5.132 -4.482 9.943 149 HD2 PHE 21 HD2 PHE 21 -7.447 -2.816 6.802 150 HE1 PHE 21 HE1 PHE 21 -7.166 -5.378 10.985 151 HE2 PHE 21 HE2 PHE 21 -9.502 -3.700 7.840 152 HZ PHE 21 HZ PHE 21 -9.362 -4.985 9.935 153 H TRP 22 HN TRP 22 -3.577 -0.285 6.766 154 HA TRP 22 HA TRP 22 -0.824 -1.207 6.603 155 HB2 TRP 22 HB2 TRP 22 -0.825 -0.144 4.279 156 HB3 TRP 22 HB1 TRP 22 -1.697 -1.651 4.494 157 HD1 TRP 22 HD1 TRP 22 -4.258 -1.642 3.940 158 HE1 TRP 22 HE1 TRP 22 -5.846 0.086 2.891 159 HE3 TRP 22 HE3 TRP 22 -1.299 2.526 4.266 160 HZ2 TRP 22 HZ2 TRP 22 -5.854 2.848 2.269 161 HZ3 TRP 22 HZ3 TRP 22 -2.190 4.658 3.427 162 HH2 TRP 22 HH2 TRP 22 -4.416 4.808 2.462 163 H TYR 23 HN TYR 23 -2.757 1.600 7.163 164 HA TYR 23 HA TYR 23 -0.422 3.296 6.926 165 HB2 TYR 23 HB2 TYR 23 -2.726 3.996 6.123 166 HB3 TYR 23 HB1 TYR 23 -3.182 4.116 7.821 167 HD1 TYR 23 HD2 TYR 23 -1.155 5.545 5.150 168 HD2 TYR 23 HD1 TYR 23 -2.292 5.913 9.218 169 HE1 TYR 23 HE2 TYR 23 -0.186 7.776 5.198 170 HE2 TYR 23 HE1 TYR 23 -1.327 8.173 9.286 171 HH TYR 23 HH TYR 23 0.515 9.519 7.949 172 H LYS 24 HN LYS 24 0.869 3.507 8.489 173 HA LYS 24 HA LYS 24 -0.148 4.088 11.087 174 HB2 LYS 24 HB2 LYS 24 1.895 2.755 12.112 175 HB3 LYS 24 HB1 LYS 24 0.359 1.978 11.843 176 HG2 LYS 24 HG2 LYS 24 2.386 1.765 9.679 177 HG3 LYS 24 HG1 LYS 24 2.688 0.880 11.178 178 HD2 LYS 24 HD2 LYS 24 0.351 -0.074 10.947 179 HD3 LYS 24 HD1 LYS 24 0.303 0.640 9.336 180 HE2 LYS 24 HE2 LYS 24 2.139 -0.719 8.616 181 HE3 LYS 24 HE1 LYS 24 2.430 -1.287 10.256 182 HZ1 LYS 24 HZ1 LYS 24 1.271 -2.940 8.940 183 HZ2 LYS 24 HZ2 LYS 24 -0.021 -1.912 8.650 184 HZ3 LYS 24 HZ3 LYS 24 0.301 -2.431 10.208 185 HA PRO 25 HA PRO 25 2.552 7.311 9.736 186 HB2 PRO 25 HB2 PRO 25 1.715 9.156 11.528 187 HB3 PRO 25 HB1 PRO 25 0.788 8.727 10.090 188 HG2 PRO 25 HG2 PRO 25 0.430 7.825 12.920 189 HG3 PRO 25 HG1 PRO 25 -0.797 8.293 11.729 190 HD2 PRO 25 HD2 PRO 25 -0.217 5.717 12.317 191 HD3 PRO 25 HD1 PRO 25 -0.772 6.236 10.712 192 H HIS 26 HN HIS 26 2.380 6.032 12.944 193 HA HIS 26 HA HIS 26 4.665 7.617 13.826 194 HB2 HIS 26 HB2 HIS 26 2.930 5.707 15.400 195 HB3 HIS 26 HB1 HIS 26 4.194 6.735 16.067 196 HD1 HIS 26 HD1 HIS 26 0.981 6.770 16.652 197 HD2 HIS 26 HD2 HIS 26 3.231 9.512 14.495 198 HE1 HIS 26 HE1 HIS 26 -0.360 8.919 16.625 199 H LEU 27 HN LEU 27 4.595 5.112 11.988 200 HA LEU 27 HA LEU 27 6.405 3.455 13.534 201 HB2 LEU 27 HB2 LEU 27 4.545 2.546 12.018 202 HB3 LEU 27 HB1 LEU 27 5.549 3.044 10.671 203 HG LEU 27 HG LEU 27 7.340 1.540 11.500 204 HD11 LEU 27 HD11 LEU 27 6.695 -0.174 13.164 205 HD12 LEU 27 HD12 LEU 27 5.224 0.754 13.493 206 HD13 LEU 27 HD13 LEU 27 6.804 1.448 13.826 207 HD21 LEU 27 HD21 LEU 27 4.679 0.220 11.028 208 HD22 LEU 27 HD22 LEU 27 6.261 -0.533 10.839 209 HD23 LEU 27 HD23 LEU 27 5.786 0.796 9.782 210 H SER 28 HN SER 28 8.601 3.192 12.866 211 HA SER 28 HA SER 28 9.533 5.496 11.339 212 HB2 SER 28 HB2 SER 28 10.351 5.130 13.710 213 HB3 SER 28 HB1 SER 28 11.172 3.684 13.129 214 HG SER 28 HG SER 28 11.717 6.357 12.731 215 H ARG 29 HN ARG 29 11.725 4.988 10.235 216 HA ARG 29 HA ARG 29 11.115 3.539 7.932 217 HB2 ARG 29 HB2 ARG 29 12.701 5.431 8.009 218 HB3 ARG 29 HB1 ARG 29 13.843 4.447 8.895 219 HG2 ARG 29 HG2 ARG 29 12.951 3.576 6.169 220 HG3 ARG 29 HG1 ARG 29 14.137 4.862 6.312 221 HD2 ARG 29 HD2 ARG 29 15.586 3.315 7.612 222 HD3 ARG 29 HD1 ARG 29 14.391 2.039 7.372 223 HE ARG 29 HE ARG 29 15.031 3.048 4.864 224 HH11 ARG 29 HH11 ARG 29 16.799 1.320 7.415 225 HH12 ARG 29 HH12 ARG 29 17.834 0.524 6.339 226 HH21 ARG 29 HH21 ARG 29 16.452 1.945 3.411 227 HH22 ARG 29 HH22 ARG 29 17.634 0.871 4.010 228 H ASP 30 HN ASP 30 13.395 2.646 10.492 229 HA ASP 30 HA ASP 30 14.064 0.137 9.339 230 HB2 ASP 30 HB2 ASP 30 15.549 1.222 10.949 231 HB3 ASP 30 HB1 ASP 30 14.321 1.073 12.196 232 H GLN 31 HN GLN 31 11.631 1.166 11.537 233 HA GLN 31 HA GLN 31 10.866 -1.416 12.476 234 HB2 GLN 31 HB2 GLN 31 9.187 1.093 12.442 235 HB3 GLN 31 HB1 GLN 31 8.959 -0.316 13.465 236 HG2 GLN 31 HG2 GLN 31 11.068 0.162 14.592 237 HG3 GLN 31 HG1 GLN 31 11.307 1.562 13.554 238 HE21 GLN 31 HE21 GLN 31 8.233 0.565 14.994 239 HE22 GLN 31 HE22 GLN 31 8.090 1.942 16.010 240 H ALA 32 HN ALA 32 9.871 0.639 9.813 241 HA ALA 32 HA ALA 32 7.594 -0.799 8.986 242 HB1 ALA 32 HB1 ALA 32 8.144 1.444 8.148 243 HB2 ALA 32 HB2 ALA 32 7.932 0.308 6.813 244 HB3 ALA 32 HB3 ALA 32 9.555 0.784 7.321 245 H ILE 33 HN ILE 33 10.980 -1.074 8.260 246 HA ILE 33 HA ILE 33 10.810 -3.180 6.375 247 HB ILE 33 HB ILE 33 13.119 -2.372 8.160 248 HG12 ILE 33 HG12 ILE 33 12.537 -1.551 5.315 249 HG13 ILE 33 HG11 ILE 33 12.150 -0.565 6.725 250 HG21 ILE 33 HG21 ILE 33 13.403 -4.603 7.161 251 HG22 ILE 33 HG22 ILE 33 14.523 -3.438 6.457 252 HG23 ILE 33 HG23 ILE 33 13.088 -3.927 5.562 253 HD11 ILE 33 HD11 ILE 33 14.205 0.155 5.715 254 HD12 ILE 33 HD12 ILE 33 14.879 -1.477 5.893 255 HD13 ILE 33 HD13 ILE 33 14.473 -0.519 7.324 256 H ALA 34 HN ALA 34 11.263 -2.985 9.839 257 HA ALA 34 HA ALA 34 11.760 -5.657 10.478 258 HB1 ALA 34 HB1 ALA 34 11.893 -3.827 12.123 259 HB2 ALA 34 HB2 ALA 34 10.918 -5.173 12.714 260 HB3 ALA 34 HB3 ALA 34 10.133 -3.713 12.117 261 H LEU 35 HN LEU 35 8.711 -4.092 9.769 262 HA LEU 35 HA LEU 35 7.158 -6.474 10.225 263 HB2 LEU 35 HB2 LEU 35 6.568 -3.795 9.006 264 HB3 LEU 35 HB1 LEU 35 5.459 -5.114 8.745 265 HG LEU 35 HG LEU 35 4.668 -3.668 10.503 266 HD11 LEU 35 HD11 LEU 35 4.116 -5.994 10.656 267 HD12 LEU 35 HD12 LEU 35 4.314 -5.296 12.261 268 HD13 LEU 35 HD13 LEU 35 5.582 -6.309 11.586 269 HD21 LEU 35 HD21 LEU 35 5.833 -3.438 12.636 270 HD22 LEU 35 HD22 LEU 35 6.794 -2.774 11.313 271 HD23 LEU 35 HD23 LEU 35 7.200 -4.348 11.995 272 H LEU 36 HN LEU 36 8.160 -4.679 7.343 273 HA LEU 36 HA LEU 36 7.008 -6.410 5.484 274 HB2 LEU 36 HB2 LEU 36 9.219 -4.456 5.213 275 HB3 LEU 36 HB1 LEU 36 8.620 -5.366 3.852 276 HG LEU 36 HG LEU 36 7.127 -3.346 5.509 277 HD11 LEU 36 HD11 LEU 36 7.970 -3.432 2.636 278 HD12 LEU 36 HD12 LEU 36 8.667 -2.435 3.919 279 HD13 LEU 36 HD13 LEU 36 7.008 -2.164 3.391 280 HD21 LEU 36 HD21 LEU 36 5.577 -5.132 4.932 281 HD22 LEU 36 HD22 LEU 36 6.103 -5.074 3.248 282 HD23 LEU 36 HD23 LEU 36 5.254 -3.704 3.953 283 H LYS 37 HN LYS 37 10.101 -6.688 7.015 284 HA LYS 37 HA LYS 37 11.159 -8.431 5.086 285 HB2 LYS 37 HB2 LYS 37 12.817 -9.112 6.791 286 HB3 LYS 37 HB1 LYS 37 12.636 -7.368 6.698 287 HG2 LYS 37 HG2 LYS 37 11.221 -7.409 8.705 288 HG3 LYS 37 HG1 LYS 37 11.418 -9.157 8.797 289 HD2 LYS 37 HD2 LYS 37 12.909 -8.019 10.359 290 HD3 LYS 37 HD1 LYS 37 13.832 -8.871 9.121 291 HE2 LYS 37 HE2 LYS 37 14.201 -6.790 7.932 292 HE3 LYS 37 HE1 LYS 37 13.205 -5.908 9.080 293 HZ1 LYS 37 HZ1 LYS 37 15.763 -7.291 9.690 294 HZ2 LYS 37 HZ2 LYS 37 14.848 -6.442 10.808 295 HZ3 LYS 37 HZ3 LYS 37 15.566 -5.627 9.507 296 H ASP 38 HN ASP 38 8.886 -8.955 7.642 297 HA ASP 38 HA ASP 38 9.140 -11.840 7.309 298 HB2 ASP 38 HB2 ASP 38 8.947 -10.845 9.602 299 HB3 ASP 38 HB1 ASP 38 7.313 -10.337 9.192 300 H LYS 39 HN LYS 39 7.222 -9.202 6.314 301 HA LYS 39 HA LYS 39 4.894 -10.769 5.687 302 HB2 LYS 39 HB2 LYS 39 5.553 -7.989 4.698 303 HB3 LYS 39 HB1 LYS 39 3.980 -8.766 4.667 304 HG2 LYS 39 HG2 LYS 39 4.070 -8.839 7.177 305 HG3 LYS 39 HG1 LYS 39 5.519 -7.842 7.091 306 HD2 LYS 39 HD2 LYS 39 3.778 -6.296 7.450 307 HD3 LYS 39 HD1 LYS 39 4.080 -6.211 5.714 308 HE2 LYS 39 HE2 LYS 39 1.722 -6.281 6.001 309 HE3 LYS 39 HE1 LYS 39 2.211 -7.862 5.407 310 HZ1 LYS 39 HZ1 LYS 39 1.346 -7.095 8.127 311 HZ2 LYS 39 HZ2 LYS 39 2.271 -8.473 7.895 312 HZ3 LYS 39 HZ3 LYS 39 0.763 -8.354 7.161 313 H ASP 40 HN ASP 40 4.093 -11.238 3.644 314 HA ASP 40 HA ASP 40 6.096 -12.208 1.871 315 HB2 ASP 40 HB2 ASP 40 4.162 -13.122 0.571 316 HB3 ASP 40 HB1 ASP 40 4.162 -13.595 2.260 317 HA PRO 41 HA PRO 41 6.572 -9.064 -1.194 318 HB2 PRO 41 HB2 PRO 41 5.893 -11.197 -3.173 319 HB3 PRO 41 HB1 PRO 41 7.268 -10.088 -3.144 320 HG2 PRO 41 HG2 PRO 41 7.590 -12.613 -2.434 321 HG3 PRO 41 HG1 PRO 41 8.392 -11.321 -1.526 322 HD2 PRO 41 HD2 PRO 41 5.991 -12.931 -0.804 323 HD3 PRO 41 HD1 PRO 41 7.305 -12.320 0.224 324 H GLY 42 HN GLY 42 5.140 -7.563 -1.592 325 HA2 GLY 42 HA2 GLY 42 3.326 -6.922 -3.155 326 HA3 GLY 42 HA1 GLY 42 2.458 -8.330 -2.546 327 H ALA 43 HN ALA 43 3.626 -7.801 0.144 328 HA ALA 43 HA ALA 43 1.478 -6.213 1.134 329 HB1 ALA 43 HB1 ALA 43 2.358 -8.137 2.371 330 HB2 ALA 43 HB2 ALA 43 2.429 -6.657 3.329 331 HB3 ALA 43 HB3 ALA 43 3.893 -7.297 2.580 332 H PHE 44 HN PHE 44 1.576 -4.233 2.158 333 HA PHE 44 HA PHE 44 3.997 -2.634 1.852 334 HB2 PHE 44 HB2 PHE 44 2.825 -0.912 0.695 335 HB3 PHE 44 HB1 PHE 44 2.585 -2.401 -0.204 336 HD1 PHE 44 HD2 PHE 44 0.338 -3.693 0.346 337 HD2 PHE 44 HD1 PHE 44 1.005 0.423 1.186 338 HE1 PHE 44 HE2 PHE 44 -2.083 -3.313 0.424 339 HE2 PHE 44 HE1 PHE 44 -1.411 0.800 1.268 340 HZ PHE 44 HZ PHE 44 -2.960 -1.069 0.888 341 H LEU 45 HN LEU 45 3.610 -0.520 2.909 342 HA LEU 45 HA LEU 45 1.333 -0.161 4.558 343 HB2 LEU 45 HB2 LEU 45 2.405 0.029 6.680 344 HB3 LEU 45 HB1 LEU 45 2.784 -1.558 6.058 345 HG LEU 45 HG LEU 45 4.691 0.796 6.049 346 HD11 LEU 45 HD11 LEU 45 4.176 0.077 8.299 347 HD12 LEU 45 HD12 LEU 45 5.811 -0.405 7.844 348 HD13 LEU 45 HD13 LEU 45 4.511 -1.597 7.859 349 HD21 LEU 45 HD21 LEU 45 5.163 -0.856 4.318 350 HD22 LEU 45 HD22 LEU 45 5.140 -2.129 5.537 351 HD23 LEU 45 HD23 LEU 45 6.385 -0.882 5.590 352 H ILE 46 HN ILE 46 1.272 1.999 5.370 353 HA ILE 46 HA ILE 46 3.192 3.737 4.030 354 HB ILE 46 HB ILE 46 0.179 4.192 4.154 355 HG12 ILE 46 HG12 ILE 46 2.034 3.686 1.825 356 HG13 ILE 46 HG11 ILE 46 0.839 2.562 2.455 357 HG21 ILE 46 HG21 ILE 46 0.614 6.223 2.846 358 HG22 ILE 46 HG22 ILE 46 2.346 5.921 2.953 359 HG23 ILE 46 HG23 ILE 46 1.425 6.291 4.413 360 HD11 ILE 46 HD11 ILE 46 0.161 3.644 0.379 361 HD12 ILE 46 HD12 ILE 46 0.218 5.225 1.171 362 HD13 ILE 46 HD13 ILE 46 -0.956 4.023 1.691 363 H ARG 47 HN ARG 47 3.960 5.310 5.199 364 HA ARG 47 HA ARG 47 2.731 5.979 7.781 365 HB2 ARG 47 HB2 ARG 47 4.892 5.945 8.857 366 HB3 ARG 47 HB1 ARG 47 4.692 4.394 8.061 367 HG2 ARG 47 HG2 ARG 47 6.076 5.230 6.182 368 HG3 ARG 47 HG1 ARG 47 6.337 6.721 7.084 369 HD2 ARG 47 HD2 ARG 47 7.245 5.263 8.948 370 HD3 ARG 47 HD1 ARG 47 7.242 3.939 7.784 371 HE ARG 47 HE ARG 47 8.921 6.288 7.817 372 HH11 ARG 47 HH11 ARG 47 8.008 3.335 6.070 373 HH12 ARG 47 HH12 ARG 47 9.416 3.280 5.110 374 HH21 ARG 47 HH21 ARG 47 10.840 6.237 6.455 375 HH22 ARG 47 HH22 ARG 47 11.053 4.994 5.309 376 H ASP 48 HN ASP 48 4.135 8.114 8.500 377 HA ASP 48 HA ASP 48 3.985 9.878 6.220 378 HB2 ASP 48 HB2 ASP 48 4.444 10.307 9.163 379 HB3 ASP 48 HB1 ASP 48 4.831 11.580 8.015 380 H SER 49 HN SER 49 5.770 11.068 5.411 381 HA SER 49 HA SER 49 8.177 9.513 5.510 382 HB2 SER 49 HB2 SER 49 7.625 12.110 4.063 383 HB3 SER 49 HB1 SER 49 9.032 11.074 3.825 384 HG SER 49 HG SER 49 6.333 10.442 3.366 385 H HIS 50 HN HIS 50 10.051 10.040 6.379 386 HA HIS 50 HA HIS 50 10.006 11.922 8.575 387 HB2 HIS 50 HB2 HIS 50 12.248 10.190 7.556 388 HB3 HIS 50 HB1 HIS 50 12.179 10.969 9.118 389 HD1 HIS 50 HD1 HIS 50 10.021 9.914 10.680 390 HD2 HIS 50 HD2 HIS 50 11.417 7.677 7.473 391 HE1 HIS 50 HE1 HIS 50 9.126 7.591 10.992 392 H SER 51 HN SER 51 11.446 11.419 5.495 393 HA SER 51 HA SER 51 13.439 13.387 5.584 394 HB2 SER 51 HB2 SER 51 12.064 12.201 3.207 395 HB3 SER 51 HB1 SER 51 13.725 12.844 3.292 396 HG SER 51 HG SER 51 14.119 11.147 4.849 397 H PHE 52 HN PHE 52 10.116 13.392 4.183 398 HA PHE 52 HA PHE 52 10.323 16.301 3.979 399 HB2 PHE 52 HB2 PHE 52 9.027 14.510 1.909 400 HB3 PHE 52 HB1 PHE 52 9.104 16.263 1.867 401 HD1 PHE 52 HD2 PHE 52 11.374 17.350 1.625 402 HD2 PHE 52 HD1 PHE 52 10.713 13.203 1.025 403 HE1 PHE 52 HE2 PHE 52 13.479 17.203 0.358 404 HE2 PHE 52 HE1 PHE 52 12.790 13.029 -0.226 405 HZ PHE 52 HZ PHE 52 14.200 15.038 -0.574 406 H GLN 53 HN GLN 53 8.416 17.375 4.375 407 HA GLN 53 HA GLN 53 6.361 15.850 5.746 408 HB2 GLN 53 HB2 GLN 53 5.407 18.032 6.339 409 HB3 GLN 53 HB1 GLN 53 7.104 17.950 6.780 410 HG2 GLN 53 HG2 GLN 53 7.704 19.281 4.855 411 HG3 GLN 53 HG1 GLN 53 6.030 19.289 4.310 412 HE21 GLN 53 HE21 GLN 53 4.536 20.526 5.393 413 HE22 GLN 53 HE22 GLN 53 5.008 21.761 6.504 414 H GLY 54 HN GLY 54 4.176 15.862 5.120 415 HA2 GLY 54 HA2 GLY 54 2.391 16.051 3.660 416 HA3 GLY 54 HA1 GLY 54 3.371 17.142 2.682 417 H ALA 55 HN ALA 55 4.674 14.170 3.611 418 HA ALA 55 HA ALA 55 4.030 12.939 1.073 419 HB1 ALA 55 HB1 ALA 55 6.369 12.195 0.838 420 HB2 ALA 55 HB2 ALA 55 6.819 13.140 2.252 421 HB3 ALA 55 HB3 ALA 55 6.257 13.952 0.794 422 H TYR 56 HN TYR 56 3.667 10.840 1.272 423 HA TYR 56 HA TYR 56 3.885 9.686 3.962 424 HB2 TYR 56 HB2 TYR 56 2.009 8.903 1.718 425 HB3 TYR 56 HB1 TYR 56 2.025 8.247 3.346 426 HD1 TYR 56 HD1 TYR 56 1.742 10.079 5.251 427 HD2 TYR 56 HD2 TYR 56 0.459 10.530 1.227 428 HE1 TYR 56 HE1 TYR 56 0.116 11.778 5.965 429 HE2 TYR 56 HE2 TYR 56 -1.172 12.225 1.929 430 HH TYR 56 HH TYR 56 -2.378 12.837 3.961 431 H GLY 57 HN GLY 57 5.267 8.084 4.148 432 HA2 GLY 57 HA2 GLY 57 6.656 7.235 1.764 433 HA3 GLY 57 HA1 GLY 57 7.165 6.904 3.409 434 H LEU 58 HN LEU 58 5.984 5.614 0.684 435 HA LEU 58 HA LEU 58 4.404 3.507 1.897 436 HB2 LEU 58 HB2 LEU 58 3.511 4.434 -0.142 437 HB3 LEU 58 HB1 LEU 58 5.053 4.266 -0.953 438 HG LEU 58 HG LEU 58 4.791 1.771 -0.688 439 HD11 LEU 58 HD11 LEU 58 2.593 0.864 -0.404 440 HD12 LEU 58 HD12 LEU 58 1.994 2.460 0.040 441 HD13 LEU 58 HD13 LEU 58 3.202 1.655 1.049 442 HD21 LEU 58 HD21 LEU 58 4.430 2.825 -2.815 443 HD22 LEU 58 HD22 LEU 58 2.754 3.202 -2.364 444 HD23 LEU 58 HD23 LEU 58 3.276 1.516 -2.544 445 H ALA 59 HN ALA 59 5.390 1.718 2.451 446 HA ALA 59 HA ALA 59 7.940 1.100 1.170 447 HB1 ALA 59 HB1 ALA 59 8.491 -0.169 3.205 448 HB2 ALA 59 HB2 ALA 59 6.952 0.319 3.913 449 HB3 ALA 59 HB3 ALA 59 8.182 1.530 3.565 450 H LEU 60 HN LEU 60 7.881 -0.553 -0.103 451 HA LEU 60 HA LEU 60 5.652 -2.471 0.110 452 HB2 LEU 60 HB2 LEU 60 5.511 -1.135 -1.909 453 HB3 LEU 60 HB1 LEU 60 7.171 -1.514 -2.313 454 HG LEU 60 HG LEU 60 6.504 -3.903 -2.593 455 HD11 LEU 60 HD11 LEU 60 4.532 -3.941 -1.202 456 HD12 LEU 60 HD12 LEU 60 4.139 -4.443 -2.845 457 HD13 LEU 60 HD13 LEU 60 3.719 -2.822 -2.293 458 HD21 LEU 60 HD21 LEU 60 5.393 -3.586 -4.748 459 HD22 LEU 60 HD22 LEU 60 6.713 -2.437 -4.516 460 HD23 LEU 60 HD23 LEU 60 5.040 -1.915 -4.311 461 H LYS 61 HN LYS 61 6.211 -4.491 0.512 462 HA LYS 61 HA LYS 61 8.982 -5.327 0.369 463 HB2 LYS 61 HB2 LYS 61 7.698 -6.010 2.309 464 HB3 LYS 61 HB1 LYS 61 6.451 -6.685 1.291 465 HG2 LYS 61 HG2 LYS 61 7.864 -8.397 2.348 466 HG3 LYS 61 HG1 LYS 61 7.938 -8.481 0.582 467 HD2 LYS 61 HD2 LYS 61 10.099 -7.353 0.663 468 HD3 LYS 61 HD1 LYS 61 9.972 -7.215 2.422 469 HE2 LYS 61 HE2 LYS 61 10.099 -9.774 0.816 470 HE3 LYS 61 HE1 LYS 61 11.374 -9.118 1.841 471 HZ1 LYS 61 HZ1 LYS 61 8.720 -10.157 2.756 472 HZ2 LYS 61 HZ2 LYS 61 9.744 -9.314 3.724 473 HZ3 LYS 61 HZ3 LYS 61 10.243 -10.804 3.096 474 H VAL 62 HN VAL 62 9.703 -6.009 -1.553 475 HA VAL 62 HA VAL 62 7.821 -7.488 -3.226 476 HB VAL 62 HB VAL 62 9.224 -7.021 -5.154 477 HG11 VAL 62 HG11 VAL 62 8.948 -4.593 -5.350 478 HG12 VAL 62 HG12 VAL 62 8.572 -4.532 -3.625 479 HG13 VAL 62 HG13 VAL 62 7.516 -5.415 -4.726 480 HG21 VAL 62 HG21 VAL 62 11.417 -6.961 -4.115 481 HG22 VAL 62 HG22 VAL 62 11.009 -5.455 -3.293 482 HG23 VAL 62 HG23 VAL 62 11.150 -5.489 -5.051 483 H ALA 63 HN ALA 63 9.095 -9.169 -4.613 484 HA ALA 63 HA ALA 63 10.330 -10.867 -2.690 485 HB1 ALA 63 HB1 ALA 63 9.995 -11.220 -5.673 486 HB2 ALA 63 HB2 ALA 63 8.900 -11.817 -4.423 487 HB3 ALA 63 HB3 ALA 63 10.536 -12.466 -4.548 488 H THR 64 HN THR 64 11.275 -9.237 -5.673 489 HA THR 64 HA THR 64 13.982 -8.957 -4.705 490 HB THR 64 HB THR 64 14.730 -9.819 -7.033 491 HG1 THR 64 HG1 THR 64 12.539 -10.106 -7.747 492 HG21 THR 64 HG21 THR 64 15.376 -10.907 -4.928 493 HG22 THR 64 HG22 THR 64 15.020 -12.120 -6.160 494 HG23 THR 64 HG23 THR 64 13.841 -11.767 -4.891 495 HA PRO 65 HA PRO 65 13.314 -5.164 -7.123 496 HB2 PRO 65 HB2 PRO 65 16.210 -4.792 -6.491 497 HB3 PRO 65 HB1 PRO 65 14.870 -3.668 -6.255 498 HG2 PRO 65 HG2 PRO 65 15.970 -4.938 -4.177 499 HG3 PRO 65 HG1 PRO 65 14.225 -4.643 -4.247 500 HD2 PRO 65 HD2 PRO 65 15.751 -7.161 -4.793 501 HD3 PRO 65 HD1 PRO 65 14.198 -6.946 -3.942 502 HA PRO 66 HA PRO 66 16.848 -6.739 -10.297 503 HB2 PRO 66 HB2 PRO 66 17.829 -9.249 -9.662 504 HB3 PRO 66 HB1 PRO 66 18.574 -7.752 -9.059 505 HG2 PRO 66 HG2 PRO 66 16.532 -9.373 -7.669 506 HG3 PRO 66 HG1 PRO 66 18.166 -8.927 -7.114 507 HD2 PRO 66 HD2 PRO 66 16.137 -7.602 -6.415 508 HD3 PRO 66 HD1 PRO 66 17.566 -6.666 -6.974 509 HA PRO 67 HA PRO 67 13.601 -9.062 -12.243 510 HB2 PRO 67 HB2 PRO 67 15.017 -10.571 -14.084 511 HB3 PRO 67 HB1 PRO 67 14.514 -8.894 -14.320 512 HG2 PRO 67 HG2 PRO 67 17.160 -9.993 -13.512 513 HG3 PRO 67 HG1 PRO 67 16.787 -8.594 -14.528 514 HD2 PRO 67 HD2 PRO 67 17.587 -8.367 -11.951 515 HD3 PRO 67 HD1 PRO 67 16.483 -7.202 -12.709 516 H SER 68 HN SER 68 16.438 -11.069 -11.483 517 HA SER 68 HA SER 68 14.591 -13.044 -10.389 518 HB2 SER 68 HB2 SER 68 16.141 -14.841 -11.399 519 HB3 SER 68 HB1 SER 68 14.981 -14.027 -12.449 520 HG SER 68 HG SER 68 16.609 -13.504 -13.609 521 H ALA 69 HN ALA 69 17.578 -11.391 -10.125 522 HA ALA 69 HA ALA 69 19.099 -11.176 -8.492 523 HB1 ALA 69 HB1 ALA 69 18.595 -11.918 -6.211 524 HB2 ALA 69 HB2 ALA 69 17.193 -12.821 -6.811 525 HB3 ALA 69 HB3 ALA 69 17.255 -11.056 -6.951 526 H GLN 70 HN GLN 70 19.281 -13.232 -10.388 527 HA GLN 70 HA GLN 70 20.317 -15.548 -9.164 528 HB2 GLN 70 HB2 GLN 70 20.780 -14.544 -11.992 529 HB3 GLN 70 HB1 GLN 70 21.258 -16.132 -11.401 530 HG2 GLN 70 HG2 GLN 70 18.902 -16.605 -10.867 531 HG3 GLN 70 HG1 GLN 70 18.455 -15.051 -11.553 532 HE21 GLN 70 HE21 GLN 70 18.477 -14.800 -13.782 533 HE22 GLN 70 HE22 GLN 70 18.588 -16.149 -14.850 534 HA PRO 71 HA PRO 71 24.625 -13.481 -9.212 535 HB2 PRO 71 HB2 PRO 71 24.114 -10.609 -9.505 536 HB3 PRO 71 HB1 PRO 71 25.302 -11.599 -10.349 537 HG2 PRO 71 HG2 PRO 71 23.153 -10.581 -11.611 538 HG3 PRO 71 HG1 PRO 71 23.824 -12.168 -12.038 539 HD2 PRO 71 HD2 PRO 71 21.447 -11.510 -10.335 540 HD3 PRO 71 HD1 PRO 71 21.619 -12.750 -11.594 541 H TRP 72 HN TRP 72 24.505 -13.883 -7.104 542 HA TRP 72 HA TRP 72 23.040 -12.029 -5.370 543 HB2 TRP 72 HB2 TRP 72 22.224 -14.320 -5.332 544 HB3 TRP 72 HB1 TRP 72 23.839 -14.915 -4.974 545 HD1 TRP 72 HD1 TRP 72 24.708 -14.671 -2.514 546 HE1 TRP 72 HE1 TRP 72 23.549 -14.195 -0.303 547 HE3 TRP 72 HE3 TRP 72 20.233 -13.024 -4.329 548 HZ2 TRP 72 HZ2 TRP 72 21.005 -13.267 0.589 549 HZ3 TRP 72 HZ3 TRP 72 18.484 -12.363 -2.730 550 HH2 TRP 72 HH2 TRP 72 18.864 -12.483 -0.322 551 H LYS 73 HN LYS 73 24.067 -11.125 -3.608 552 HA LYS 73 HA LYS 73 26.913 -11.774 -3.206 553 HB2 LYS 73 HB2 LYS 73 25.751 -8.986 -3.352 554 HB3 LYS 73 HB1 LYS 73 27.396 -9.367 -2.892 555 HG2 LYS 73 HG2 LYS 73 26.200 -9.969 -5.580 556 HG3 LYS 73 HG1 LYS 73 27.129 -8.523 -5.193 557 HD2 LYS 73 HD2 LYS 73 29.044 -9.965 -4.587 558 HD3 LYS 73 HD1 LYS 73 28.107 -11.378 -5.078 559 HE2 LYS 73 HE2 LYS 73 29.619 -10.653 -6.863 560 HE3 LYS 73 HE1 LYS 73 27.926 -10.492 -7.338 561 HZ1 LYS 73 HZ1 LYS 73 29.689 -8.273 -6.417 562 HZ2 LYS 73 HZ2 LYS 73 28.072 -8.121 -6.766 563 HZ3 LYS 73 HZ3 LYS 73 29.137 -8.520 -7.994 564 H GLY 74 HN GLY 74 24.135 -11.996 -1.753 565 HA2 GLY 74 HA2 GLY 74 23.647 -12.176 0.510 566 HA3 GLY 74 HA1 GLY 74 25.227 -11.471 0.862 567 H ASP 75 HN ASP 75 22.392 -10.386 -0.954 568 HA ASP 75 HA ASP 75 22.723 -7.786 0.274 569 HB2 ASP 75 HB2 ASP 75 22.424 -8.035 -2.235 570 HB3 ASP 75 HB1 ASP 75 20.786 -8.593 -1.914 571 HA PRO 76 HA PRO 76 19.989 -9.014 3.501 572 HB2 PRO 76 HB2 PRO 76 19.446 -6.086 3.483 573 HB3 PRO 76 HB1 PRO 76 19.808 -7.147 4.847 574 HG2 PRO 76 HG2 PRO 76 21.690 -5.570 3.870 575 HG3 PRO 76 HG1 PRO 76 22.070 -7.237 4.343 576 HD2 PRO 76 HD2 PRO 76 21.732 -6.070 1.622 577 HD3 PRO 76 HD1 PRO 76 22.834 -7.344 2.195 578 H VAL 77 HN VAL 77 17.921 -9.479 3.784 579 HA VAL 77 HA VAL 77 15.929 -9.190 1.839 580 HB VAL 77 HB VAL 77 15.840 -10.916 3.608 581 HG11 VAL 77 HG11 VAL 77 16.676 -9.652 5.488 582 HG12 VAL 77 HG12 VAL 77 15.122 -10.383 5.889 583 HG13 VAL 77 HG13 VAL 77 15.218 -8.664 5.503 584 HG21 VAL 77 HG21 VAL 77 13.739 -10.502 2.536 585 HG22 VAL 77 HG22 VAL 77 13.466 -9.071 3.518 586 HG23 VAL 77 HG23 VAL 77 13.414 -10.664 4.265 587 H GLU 78 HN GLU 78 17.046 -7.077 4.204 588 HA GLU 78 HA GLU 78 14.828 -5.348 4.498 589 HB2 GLU 78 HB2 GLU 78 17.773 -4.808 4.934 590 HB3 GLU 78 HB1 GLU 78 16.445 -3.862 5.600 591 HG2 GLU 78 HG2 GLU 78 15.676 -5.844 6.838 592 HG3 GLU 78 HG1 GLU 78 17.039 -6.756 6.208 593 H GLN 79 HN GLN 79 17.178 -5.799 2.030 594 HA GLN 79 HA GLN 79 16.804 -3.182 0.851 595 HB2 GLN 79 HB2 GLN 79 18.479 -5.565 0.097 596 HB3 GLN 79 HB1 GLN 79 18.359 -4.117 -0.891 597 HG2 GLN 79 HG2 GLN 79 19.267 -4.117 1.972 598 HG3 GLN 79 HG1 GLN 79 20.351 -4.224 0.586 599 HE21 GLN 79 HE21 GLN 79 20.688 -2.444 -0.674 600 HE22 GLN 79 HE22 GLN 79 20.186 -0.854 -0.223 601 H LEU 80 HN LEU 80 15.237 -6.124 0.877 602 HA LEU 80 HA LEU 80 14.309 -6.068 -1.866 603 HB2 LEU 80 HB2 LEU 80 13.313 -7.726 0.466 604 HB3 LEU 80 HB1 LEU 80 12.897 -7.970 -1.215 605 HG LEU 80 HG LEU 80 15.632 -8.387 0.007 606 HD11 LEU 80 HD11 LEU 80 14.003 -10.070 0.654 607 HD12 LEU 80 HD12 LEU 80 15.231 -10.736 -0.425 608 HD13 LEU 80 HD13 LEU 80 13.621 -10.355 -1.042 609 HD21 LEU 80 HD21 LEU 80 16.243 -9.341 -2.153 610 HD22 LEU 80 HD22 LEU 80 15.800 -7.640 -2.307 611 HD23 LEU 80 HD23 LEU 80 14.661 -8.900 -2.791 612 H VAL 81 HN VAL 81 13.701 -4.449 0.888 613 HA VAL 81 HA VAL 81 10.905 -3.906 0.409 614 HB VAL 81 HB VAL 81 12.880 -2.710 2.395 615 HG11 VAL 81 HG11 VAL 81 9.905 -2.266 2.145 616 HG12 VAL 81 HG12 VAL 81 11.162 -1.065 1.844 617 HG13 VAL 81 HG13 VAL 81 10.912 -1.694 3.476 618 HG21 VAL 81 HG21 VAL 81 10.599 -4.646 2.749 619 HG22 VAL 81 HG22 VAL 81 11.562 -3.962 4.056 620 HG23 VAL 81 HG23 VAL 81 12.317 -5.031 2.868 621 H ARG 82 HN ARG 82 10.168 -2.187 -0.671 622 HA ARG 82 HA ARG 82 12.170 -0.421 -1.909 623 HB2 ARG 82 HB2 ARG 82 9.368 -0.873 -2.925 624 HB3 ARG 82 HB1 ARG 82 10.733 -0.188 -3.779 625 HG2 ARG 82 HG2 ARG 82 10.262 -3.070 -3.071 626 HG3 ARG 82 HG1 ARG 82 10.350 -2.346 -4.675 627 HD2 ARG 82 HD2 ARG 82 12.590 -2.459 -2.700 628 HD3 ARG 82 HD1 ARG 82 12.376 -3.617 -4.025 629 HE ARG 82 HE ARG 82 12.593 -1.544 -5.468 630 HH11 ARG 82 HH11 ARG 82 14.150 -1.685 -2.244 631 HH12 ARG 82 HH12 ARG 82 15.514 -0.827 -2.770 632 HH21 ARG 82 HH21 ARG 82 14.452 -0.367 -6.111 633 HH22 ARG 82 HH22 ARG 82 15.698 -0.050 -5.005 634 H HIS 83 HN HIS 83 12.020 1.647 -1.455 635 HA HIS 83 HA HIS 83 9.640 2.580 -0.023 636 HB2 HIS 83 HB2 HIS 83 12.516 3.341 0.250 637 HB3 HIS 83 HB1 HIS 83 11.277 4.526 0.636 638 HD1 HIS 83 HD1 HIS 83 12.859 1.387 1.929 639 HD2 HIS 83 HD2 HIS 83 9.762 3.979 2.897 640 HE1 HIS 83 HE1 HIS 83 12.217 0.853 4.309 641 H PHE 84 HN PHE 84 8.376 3.894 -0.961 642 HA PHE 84 HA PHE 84 9.373 5.785 -2.957 643 HB2 PHE 84 HB2 PHE 84 6.837 4.109 -3.142 644 HB3 PHE 84 HB1 PHE 84 7.266 5.414 -4.237 645 HD1 PHE 84 HD2 PHE 84 9.239 5.145 -5.731 646 HD2 PHE 84 HD1 PHE 84 7.673 1.924 -3.443 647 HE1 PHE 84 HE2 PHE 84 10.427 3.550 -7.177 648 HE2 PHE 84 HE1 PHE 84 8.876 0.313 -4.886 649 HZ PHE 84 HZ PHE 84 10.242 1.131 -6.755 650 H LEU 85 HN LEU 85 8.123 7.785 -2.844 651 HA LEU 85 HA LEU 85 6.430 7.763 -0.482 652 HB2 LEU 85 HB2 LEU 85 7.103 10.026 0.150 653 HB3 LEU 85 HB1 LEU 85 8.416 8.881 0.221 654 HG LEU 85 HG LEU 85 8.084 10.822 -2.080 655 HD11 LEU 85 HD11 LEU 85 9.758 12.188 -0.897 656 HD12 LEU 85 HD12 LEU 85 9.609 11.104 0.502 657 HD13 LEU 85 HD13 LEU 85 8.237 12.076 -0.013 658 HD21 LEU 85 HD21 LEU 85 10.472 10.412 -2.367 659 HD22 LEU 85 HD22 LEU 85 9.571 8.890 -2.450 660 HD23 LEU 85 HD23 LEU 85 10.448 9.325 -0.976 661 H ILE 86 HN ILE 86 4.588 8.586 -0.509 662 HA ILE 86 HA ILE 86 3.505 9.558 -3.014 663 HB ILE 86 HB ILE 86 2.184 9.025 -0.344 664 HG12 ILE 86 HG12 ILE 86 2.106 7.350 -2.835 665 HG13 ILE 86 HG11 ILE 86 3.193 7.005 -1.481 666 HG21 ILE 86 HG21 ILE 86 0.984 9.521 -3.071 667 HG22 ILE 86 HG22 ILE 86 0.969 10.631 -1.702 668 HG23 ILE 86 HG23 ILE 86 0.076 9.111 -1.608 669 HD11 ILE 86 HD11 ILE 86 1.198 6.725 -0.063 670 HD12 ILE 86 HD12 ILE 86 1.261 5.583 -1.405 671 HD13 ILE 86 HD13 ILE 86 0.185 6.980 -1.486 672 H GLU 87 HN GLU 87 3.497 11.646 -3.339 673 HA GLU 87 HA GLU 87 3.832 13.454 -1.061 674 HB2 GLU 87 HB2 GLU 87 4.015 13.988 -4.024 675 HB3 GLU 87 HB1 GLU 87 4.438 15.099 -2.728 676 HG2 GLU 87 HG2 GLU 87 6.242 13.666 -2.084 677 HG3 GLU 87 HG1 GLU 87 5.791 12.512 -3.341 678 H THR 88 HN THR 88 2.248 14.893 -0.584 679 HA THR 88 HA THR 88 -0.006 14.888 -2.396 680 HB THR 88 HB THR 88 -0.674 13.642 -0.476 681 HG1 THR 88 HG1 THR 88 -2.135 15.417 -1.327 682 HG21 THR 88 HG21 THR 88 0.926 14.371 1.121 683 HG22 THR 88 HG22 THR 88 -0.707 14.555 1.786 684 HG23 THR 88 HG23 THR 88 0.187 15.976 1.210 685 H GLY 89 HN GLY 89 -0.334 16.646 -3.301 686 HA2 GLY 89 HA2 GLY 89 0.436 19.130 -1.951 687 HA3 GLY 89 HA1 GLY 89 0.777 18.850 -3.653 688 HA PRO 90 HA PRO 90 -3.300 21.000 -3.199 689 HB2 PRO 90 HB2 PRO 90 -2.381 22.579 -5.471 690 HB3 PRO 90 HB1 PRO 90 -2.922 23.134 -3.889 691 HG2 PRO 90 HG2 PRO 90 -0.336 23.274 -4.675 692 HG3 PRO 90 HG1 PRO 90 -0.807 23.031 -2.983 693 HD2 PRO 90 HD2 PRO 90 0.194 21.059 -4.986 694 HD3 PRO 90 HD1 PRO 90 0.535 21.179 -3.248 695 H LYS 91 HN LYS 91 -1.717 19.325 -5.693 696 HA LYS 91 HA LYS 91 -4.074 19.425 -7.360 697 HB2 LYS 91 HB2 LYS 91 -1.517 17.978 -8.057 698 HB3 LYS 91 HB1 LYS 91 -2.881 18.238 -9.091 699 HG2 LYS 91 HG2 LYS 91 -1.300 19.847 -9.798 700 HG3 LYS 91 HG1 LYS 91 -2.526 20.708 -8.858 701 HD2 LYS 91 HD2 LYS 91 -0.409 21.565 -8.159 702 HD3 LYS 91 HD1 LYS 91 -1.065 20.476 -6.914 703 HE2 LYS 91 HE2 LYS 91 1.177 19.942 -7.091 704 HE3 LYS 91 HE1 LYS 91 0.151 18.707 -7.847 705 HZ1 LYS 91 HZ1 LYS 91 0.738 19.603 -10.051 706 HZ2 LYS 91 HZ2 LYS 91 2.143 19.177 -9.232 707 HZ3 LYS 91 HZ3 LYS 91 1.679 20.792 -9.314 708 H GLY 92 HN GLY 92 -2.669 17.471 -4.991 709 HA2 GLY 92 HA2 GLY 92 -4.343 15.691 -4.314 710 HA3 GLY 92 HA1 GLY 92 -4.049 15.064 -5.934 711 H VAL 93 HN VAL 93 -3.414 13.170 -4.742 712 HA VAL 93 HA VAL 93 -0.730 13.340 -3.560 713 HB VAL 93 HB VAL 93 -1.155 11.226 -2.467 714 HG11 VAL 93 HG11 VAL 93 -2.207 13.188 -1.401 715 HG12 VAL 93 HG12 VAL 93 -3.030 11.675 -1.042 716 HG13 VAL 93 HG13 VAL 93 -3.708 12.790 -2.229 717 HG21 VAL 93 HG21 VAL 93 -3.201 9.914 -2.748 718 HG22 VAL 93 HG22 VAL 93 -2.316 10.054 -4.272 719 HG23 VAL 93 HG23 VAL 93 -3.752 11.044 -3.985 720 H LYS 94 HN LYS 94 0.931 11.937 -4.443 721 HA LYS 94 HA LYS 94 0.371 9.996 -6.443 722 HB2 LYS 94 HB2 LYS 94 1.234 11.001 -8.406 723 HB3 LYS 94 HB1 LYS 94 0.207 12.214 -7.713 724 HG2 LYS 94 HG2 LYS 94 3.222 12.182 -7.614 725 HG3 LYS 94 HG1 LYS 94 2.220 13.213 -8.627 726 HD2 LYS 94 HD2 LYS 94 1.283 14.188 -6.487 727 HD3 LYS 94 HD1 LYS 94 2.531 13.281 -5.629 728 HE2 LYS 94 HE2 LYS 94 2.938 15.439 -7.699 729 HE3 LYS 94 HE1 LYS 94 3.304 15.522 -5.982 730 HZ1 LYS 94 HZ1 LYS 94 5.225 15.153 -7.468 731 HZ2 LYS 94 HZ2 LYS 94 4.659 13.621 -7.838 732 HZ3 LYS 94 HZ3 LYS 94 5.132 14.014 -6.259 733 H ILE 95 HN ILE 95 2.484 8.882 -7.182 734 HA ILE 95 HA ILE 95 4.170 8.879 -4.816 735 HB ILE 95 HB ILE 95 4.085 6.924 -7.135 736 HG12 ILE 95 HG12 ILE 95 2.919 6.649 -4.370 737 HG13 ILE 95 HG11 ILE 95 1.953 7.020 -5.801 738 HG21 ILE 95 HG21 ILE 95 5.317 5.436 -5.617 739 HG22 ILE 95 HG22 ILE 95 5.365 6.719 -4.407 740 HG23 ILE 95 HG23 ILE 95 6.218 6.920 -5.939 741 HD11 ILE 95 HD11 ILE 95 3.531 4.506 -5.267 742 HD12 ILE 95 HD12 ILE 95 2.607 4.836 -6.732 743 HD13 ILE 95 HD13 ILE 95 1.777 4.679 -5.183 744 H LYS 96 HN LYS 96 6.211 9.597 -4.798 745 HA LYS 96 HA LYS 96 7.398 10.403 -7.313 746 HB2 LYS 96 HB2 LYS 96 7.649 11.980 -5.465 747 HB3 LYS 96 HB1 LYS 96 8.389 10.738 -4.464 748 HG2 LYS 96 HG2 LYS 96 10.342 10.679 -5.827 749 HG3 LYS 96 HG1 LYS 96 9.589 11.691 -7.051 750 HD2 LYS 96 HD2 LYS 96 10.066 12.609 -4.236 751 HD3 LYS 96 HD1 LYS 96 11.261 12.849 -5.531 752 HE2 LYS 96 HE2 LYS 96 8.447 13.931 -5.323 753 HE3 LYS 96 HE1 LYS 96 9.943 14.841 -5.221 754 HZ1 LYS 96 HZ1 LYS 96 8.840 15.080 -7.346 755 HZ2 LYS 96 HZ2 LYS 96 8.955 13.450 -7.669 756 HZ3 LYS 96 HZ3 LYS 96 10.358 14.402 -7.545 757 H GLY 97 HN GLY 97 9.068 9.391 -8.265 758 HA2 GLY 97 HA2 GLY 97 10.839 7.680 -8.087 759 HA3 GLY 97 HA1 GLY 97 9.693 6.730 -7.143 760 H CYS 98 HN CYS 98 8.070 8.432 -9.441 761 HA CYS 98 HA CYS 98 8.350 6.517 -11.586 762 HB2 CYS 98 HB2 CYS 98 6.538 5.684 -10.192 763 HB3 CYS 98 HB1 CYS 98 5.798 7.271 -10.150 764 HG CYS 98 HG CYS 98 4.142 6.161 -11.659 765 HA PRO 99 HA PRO 99 8.049 10.485 -13.574 766 HB2 PRO 99 HB2 PRO 99 8.207 9.728 -16.119 767 HB3 PRO 99 HB1 PRO 99 9.567 9.502 -15.016 768 HG2 PRO 99 HG2 PRO 99 7.584 7.514 -15.998 769 HG3 PRO 99 HG1 PRO 99 9.325 7.316 -15.726 770 HD2 PRO 99 HD2 PRO 99 7.279 6.535 -14.001 771 HD3 PRO 99 HD1 PRO 99 8.976 6.731 -13.538 772 H SER 100 HN SER 100 5.612 8.098 -13.908 773 HA SER 100 HA SER 100 4.041 9.643 -15.765 774 HB2 SER 100 HB2 SER 100 3.262 7.103 -14.309 775 HB3 SER 100 HB1 SER 100 2.567 7.758 -15.796 776 HG SER 100 HG SER 100 4.850 7.551 -16.592 777 H GLU 101 HN GLU 101 2.833 8.024 -12.875 778 HA GLU 101 HA GLU 101 1.453 8.543 -11.305 779 HB2 GLU 101 HB2 GLU 101 3.433 10.743 -10.976 780 HB3 GLU 101 HB1 GLU 101 2.264 10.228 -9.757 781 HG2 GLU 101 HG2 GLU 101 4.426 8.590 -10.988 782 HG3 GLU 101 HG1 GLU 101 4.338 9.164 -9.318 783 HA PRO 102 HA PRO 102 -1.466 11.613 -12.692 784 HB2 PRO 102 HB2 PRO 102 -3.548 9.822 -11.945 785 HB3 PRO 102 HB1 PRO 102 -3.028 10.200 -13.586 786 HG2 PRO 102 HG2 PRO 102 -2.750 7.732 -12.285 787 HG3 PRO 102 HG1 PRO 102 -1.941 8.218 -13.779 788 HD2 PRO 102 HD2 PRO 102 -0.902 8.119 -11.003 789 HD3 PRO 102 HD1 PRO 102 -0.045 7.927 -12.552 790 H TYR 103 HN TYR 103 -2.726 12.920 -11.281 791 HA TYR 103 HA TYR 103 -2.079 12.556 -8.512 792 HB2 TYR 103 HB2 TYR 103 -3.684 14.702 -9.913 793 HB3 TYR 103 HB1 TYR 103 -3.378 14.697 -8.181 794 HD1 TYR 103 HD1 TYR 103 -1.791 14.979 -11.503 795 HD2 TYR 103 HD2 TYR 103 -1.241 15.434 -7.302 796 HE1 TYR 103 HE1 TYR 103 0.341 16.129 -11.898 797 HE2 TYR 103 HE2 TYR 103 0.877 16.574 -7.703 798 HH TYR 103 HH TYR 103 2.641 16.554 -9.621 799 H PHE 104 HN PHE 104 -3.194 11.552 -7.077 800 HA PHE 104 HA PHE 104 -5.965 10.771 -7.679 801 HB2 PHE 104 HB2 PHE 104 -4.121 9.667 -5.536 802 HB3 PHE 104 HB1 PHE 104 -5.669 9.014 -6.043 803 HD1 PHE 104 HD2 PHE 104 -5.854 7.974 -8.324 804 HD2 PHE 104 HD1 PHE 104 -2.120 9.077 -6.611 805 HE1 PHE 104 HE2 PHE 104 -4.693 6.509 -9.915 806 HE2 PHE 104 HE1 PHE 104 -0.951 7.611 -8.200 807 HZ PHE 104 HZ PHE 104 -2.238 6.324 -9.857 808 H GLY 105 HN GLY 105 -7.416 10.758 -5.728 809 HA2 GLY 105 HA2 GLY 105 -7.070 13.263 -4.300 810 HA3 GLY 105 HA1 GLY 105 -8.524 12.273 -4.343 811 H SER 106 HN SER 106 -7.779 9.891 -3.480 812 HA SER 106 HA SER 106 -6.670 10.418 -0.805 813 HB2 SER 106 HB2 SER 106 -8.818 8.462 -1.637 814 HB3 SER 106 HB1 SER 106 -8.156 8.597 -0.006 815 HG SER 106 HG SER 106 -9.589 10.550 -1.478 816 H LEU 107 HN LEU 107 -5.611 8.537 0.240 817 HA LEU 107 HA LEU 107 -3.637 7.411 -1.431 818 HB2 LEU 107 HB2 LEU 107 -4.452 6.618 1.354 819 HB3 LEU 107 HB1 LEU 107 -3.011 6.034 0.547 820 HG LEU 107 HG LEU 107 -3.579 8.864 1.415 821 HD11 LEU 107 HD11 LEU 107 -1.592 6.845 2.402 822 HD12 LEU 107 HD12 LEU 107 -3.034 7.399 3.250 823 HD13 LEU 107 HD13 LEU 107 -1.710 8.521 2.936 824 HD21 LEU 107 HD21 LEU 107 -1.156 7.736 0.022 825 HD22 LEU 107 HD22 LEU 107 -1.298 9.361 0.688 826 HD23 LEU 107 HD23 LEU 107 -2.311 8.879 -0.670 827 H SER 108 HN SER 108 -6.662 6.158 -0.189 828 HA SER 108 HA SER 108 -6.485 3.488 -0.688 829 HB2 SER 108 HB2 SER 108 -8.924 5.152 -1.228 830 HB3 SER 108 HB1 SER 108 -8.804 3.550 -0.483 831 HG SER 108 HG SER 108 -9.068 4.926 1.177 832 H ALA 109 HN ALA 109 -6.916 6.140 -2.961 833 HA ALA 109 HA ALA 109 -7.985 4.692 -5.124 834 HB1 ALA 109 HB1 ALA 109 -7.440 6.642 -6.470 835 HB2 ALA 109 HB2 ALA 109 -6.418 7.259 -5.168 836 HB3 ALA 109 HB3 ALA 109 -8.159 7.119 -4.930 837 H LEU 110 HN LEU 110 -4.629 5.699 -4.396 838 HA LEU 110 HA LEU 110 -3.794 4.287 -6.719 839 HB2 LEU 110 HB2 LEU 110 -1.400 4.688 -6.084 840 HB3 LEU 110 HB1 LEU 110 -2.350 6.119 -6.320 841 HG LEU 110 HG LEU 110 -0.689 6.375 -4.569 842 HD11 LEU 110 HD11 LEU 110 -2.013 7.318 -2.825 843 HD12 LEU 110 HD12 LEU 110 -3.428 6.451 -3.399 844 HD13 LEU 110 HD13 LEU 110 -2.687 7.696 -4.412 845 HD21 LEU 110 HD21 LEU 110 -0.877 5.215 -2.401 846 HD22 LEU 110 HD22 LEU 110 -0.514 4.107 -3.723 847 HD23 LEU 110 HD23 LEU 110 -2.149 4.200 -3.075 848 H VAL 111 HN VAL 111 -4.158 3.437 -3.469 849 HA VAL 111 HA VAL 111 -2.641 1.079 -3.450 850 HB VAL 111 HB VAL 111 -5.146 1.832 -1.902 851 HG11 VAL 111 HG11 VAL 111 -4.977 -0.605 -1.982 852 HG12 VAL 111 HG12 VAL 111 -4.617 -0.003 -0.365 853 HG13 VAL 111 HG13 VAL 111 -3.305 -0.514 -1.427 854 HG21 VAL 111 HG21 VAL 111 -3.580 2.164 -0.036 855 HG22 VAL 111 HG22 VAL 111 -3.217 3.218 -1.401 856 HG23 VAL 111 HG23 VAL 111 -2.234 1.782 -1.109 857 H SER 112 HN SER 112 -6.037 1.660 -4.205 858 HA SER 112 HA SER 112 -6.626 -1.023 -4.801 859 HB2 SER 112 HB2 SER 112 -8.292 0.667 -4.085 860 HB3 SER 112 HB1 SER 112 -8.100 1.495 -5.625 861 HG SER 112 HG SER 112 -8.949 -1.204 -5.346 862 H GLN 113 HN GLN 113 -5.572 1.711 -6.839 863 HA GLN 113 HA GLN 113 -6.014 0.235 -9.240 864 HB2 GLN 113 HB2 GLN 113 -6.141 2.657 -9.317 865 HB3 GLN 113 HB1 GLN 113 -4.452 2.788 -8.841 866 HG2 GLN 113 HG2 GLN 113 -3.729 1.790 -10.895 867 HG3 GLN 113 HG1 GLN 113 -5.389 1.434 -11.357 868 HE21 GLN 113 HE21 GLN 113 -5.202 2.559 -13.244 869 HE22 GLN 113 HE22 GLN 113 -5.150 4.281 -13.303 870 H HIS 114 HN HIS 114 -3.127 0.835 -7.268 871 HA HIS 114 HA HIS 114 -1.331 -0.304 -9.148 872 HB2 HIS 114 HB2 HIS 114 -1.073 0.494 -6.290 873 HB3 HIS 114 HB1 HIS 114 0.141 -0.580 -6.975 874 HD1 HIS 114 HD1 HIS 114 -1.112 2.961 -7.190 875 HD2 HIS 114 HD2 HIS 114 1.871 0.557 -8.770 876 HE1 HIS 114 HE1 HIS 114 0.501 4.521 -8.383 877 H SER 115 HN SER 115 -3.572 -1.775 -7.197 878 HA SER 115 HA SER 115 -2.212 -4.251 -6.825 879 HB2 SER 115 HB2 SER 115 -4.226 -3.484 -5.491 880 HB3 SER 115 HB1 SER 115 -5.203 -3.747 -6.935 881 HG SER 115 HG SER 115 -3.614 -5.667 -5.624 882 H ILE 116 HN ILE 116 -4.078 -2.759 -9.357 883 HA ILE 116 HA ILE 116 -4.052 -5.227 -10.919 884 HB ILE 116 HB ILE 116 -5.416 -2.567 -11.474 885 HG12 ILE 116 HG12 ILE 116 -6.564 -5.244 -10.632 886 HG13 ILE 116 HG11 ILE 116 -6.447 -3.810 -9.624 887 HG21 ILE 116 HG21 ILE 116 -5.545 -5.154 -13.022 888 HG22 ILE 116 HG22 ILE 116 -4.827 -3.632 -13.565 889 HG23 ILE 116 HG23 ILE 116 -6.568 -3.744 -13.308 890 HD11 ILE 116 HD11 ILE 116 -8.123 -4.099 -12.112 891 HD12 ILE 116 HD12 ILE 116 -8.012 -2.653 -11.108 892 HD13 ILE 116 HD13 ILE 116 -8.711 -4.130 -10.449 893 H SER 117 HN SER 117 -3.160 -1.791 -11.217 894 HA SER 117 HA SER 117 -1.250 -2.560 -13.298 895 HB2 SER 117 HB2 SER 117 -2.617 0.097 -12.868 896 HB3 SER 117 HB1 SER 117 -1.544 -0.327 -14.203 897 HG SER 117 HG SER 117 -3.206 -2.158 -14.408 898 HA PRO 118 HA PRO 118 1.467 -1.000 -10.022 899 HB2 PRO 118 HB2 PRO 118 3.588 -2.521 -11.249 900 HB3 PRO 118 HB1 PRO 118 2.793 -2.825 -9.707 901 HG2 PRO 118 HG2 PRO 118 2.554 -4.449 -11.917 902 HG3 PRO 118 HG1 PRO 118 1.370 -4.359 -10.606 903 HD2 PRO 118 HD2 PRO 118 1.309 -3.084 -13.300 904 HD3 PRO 118 HD1 PRO 118 -0.007 -3.798 -12.341 905 H ILE 119 HN ILE 119 1.379 1.055 -10.972 906 HA ILE 119 HA ILE 119 2.797 1.755 -13.353 907 HB ILE 119 HB ILE 119 1.854 3.630 -11.159 908 HG12 ILE 119 HG12 ILE 119 0.305 2.763 -13.613 909 HG13 ILE 119 HG11 ILE 119 0.036 2.095 -12.006 910 HG21 ILE 119 HG21 ILE 119 1.745 5.279 -12.992 911 HG22 ILE 119 HG22 ILE 119 2.353 4.065 -14.116 912 HG23 ILE 119 HG23 ILE 119 3.376 4.638 -12.804 913 HD11 ILE 119 HD11 ILE 119 -0.614 4.291 -11.191 914 HD12 ILE 119 HD12 ILE 119 -1.604 3.824 -12.574 915 HD13 ILE 119 HD13 ILE 119 -0.290 4.987 -12.773 916 H SER 120 HN SER 120 3.237 2.901 -10.019 917 HA SER 120 HA SER 120 5.992 3.566 -10.524 918 HB2 SER 120 HB2 SER 120 4.499 5.027 -9.188 919 HB3 SER 120 HB1 SER 120 4.329 3.739 -7.999 920 HG SER 120 HG SER 120 5.974 5.525 -7.757 921 H LEU 121 HN LEU 121 4.152 1.101 -8.995 922 HA LEU 121 HA LEU 121 6.379 0.080 -7.476 923 HB2 LEU 121 HB2 LEU 121 3.617 -1.064 -7.847 924 HB3 LEU 121 HB1 LEU 121 4.798 -1.585 -6.663 925 HG LEU 121 HG LEU 121 3.393 1.083 -6.736 926 HD11 LEU 121 HD11 LEU 121 3.181 -1.213 -4.816 927 HD12 LEU 121 HD12 LEU 121 1.977 -0.714 -6.002 928 HD13 LEU 121 HD13 LEU 121 2.378 0.350 -4.654 929 HD21 LEU 121 HD21 LEU 121 5.658 1.388 -5.913 930 HD22 LEU 121 HD22 LEU 121 5.460 0.053 -4.785 931 HD23 LEU 121 HD23 LEU 121 4.507 1.522 -4.586 932 HA PRO 122 HA PRO 122 7.682 -2.681 -10.711 933 HB2 PRO 122 HB2 PRO 122 9.340 -4.264 -9.282 934 HB3 PRO 122 HB1 PRO 122 9.742 -2.586 -9.674 935 HG2 PRO 122 HG2 PRO 122 8.627 -3.732 -7.148 936 HG3 PRO 122 HG1 PRO 122 9.935 -2.546 -7.345 937 HD2 PRO 122 HD2 PRO 122 7.387 -1.854 -6.697 938 HD3 PRO 122 HD1 PRO 122 8.453 -0.801 -7.648 939 H CYS 123 HN CYS 123 5.809 -3.643 -8.058 940 HA CYS 123 HA CYS 123 5.147 -6.173 -9.351 941 HB2 CYS 123 HB2 CYS 123 6.753 -6.634 -7.480 942 HB3 CYS 123 HB1 CYS 123 5.644 -5.837 -6.372 943 HG CYS 123 HG CYS 123 5.165 -8.793 -8.015 944 H CYS 124 HN CYS 124 2.970 -6.930 -8.578 945 HA CYS 124 HA CYS 124 1.134 -4.756 -8.543 946 HB2 CYS 124 HB2 CYS 124 0.569 -7.668 -7.973 947 HB3 CYS 124 HB1 CYS 124 -0.565 -6.442 -8.495 948 HG CYS 124 HG CYS 124 1.396 -6.217 -10.898 949 H LEU 125 HN LEU 125 0.065 -3.912 -6.878 950 HA LEU 125 HA LEU 125 1.114 -4.346 -4.273 951 HB2 LEU 125 HB2 LEU 125 0.347 -2.154 -5.254 952 HB3 LEU 125 HB1 LEU 125 -1.295 -2.730 -5.076 953 HG LEU 125 HG LEU 125 -0.954 -2.875 -2.632 954 HD11 LEU 125 HD11 LEU 125 1.449 -3.223 -2.603 955 HD12 LEU 125 HD12 LEU 125 1.023 -1.782 -1.682 956 HD13 LEU 125 HD13 LEU 125 1.702 -1.622 -3.301 957 HD21 LEU 125 HD21 LEU 125 -1.932 -0.887 -3.630 958 HD22 LEU 125 HD22 LEU 125 -0.323 -0.199 -3.860 959 HD23 LEU 125 HD23 LEU 125 -0.944 -0.467 -2.230 960 H ARG 126 HN ARG 126 0.247 -5.542 -2.642 961 HA ARG 126 HA ARG 126 -2.316 -6.852 -3.193 962 HB2 ARG 126 HB2 ARG 126 0.062 -7.952 -1.664 963 HB3 ARG 126 HB1 ARG 126 -1.468 -8.774 -1.916 964 HG2 ARG 126 HG2 ARG 126 0.501 -8.026 -4.072 965 HG3 ARG 126 HG1 ARG 126 0.266 -9.638 -3.396 966 HD2 ARG 126 HD2 ARG 126 -2.038 -9.644 -4.218 967 HD3 ARG 126 HD1 ARG 126 -1.817 -8.024 -4.870 968 HE ARG 126 HE ARG 126 0.169 -9.664 -5.927 969 HH11 ARG 126 HH11 ARG 126 -3.362 -9.301 -6.143 970 HH12 ARG 126 HH12 ARG 126 -3.452 -9.918 -7.721 971 HH21 ARG 126 HH21 ARG 126 0.004 -10.517 -8.078 972 HH22 ARG 126 HH22 ARG 126 -1.528 -10.650 -8.824 973 H ILE 127 HN ILE 127 -3.836 -6.518 -1.701 974 HA ILE 127 HA ILE 127 -3.056 -5.030 0.675 975 HB ILE 127 HB ILE 127 -5.862 -5.576 -0.372 976 HG12 ILE 127 HG12 ILE 127 -5.858 -3.017 -0.761 977 HG13 ILE 127 HG11 ILE 127 -4.111 -3.118 -0.596 978 HG21 ILE 127 HG21 ILE 127 -5.819 -5.309 2.038 979 HG22 ILE 127 HG22 ILE 127 -6.610 -3.918 1.296 980 HG23 ILE 127 HG23 ILE 127 -4.953 -3.786 1.889 981 HD11 ILE 127 HD11 ILE 127 -5.766 -4.500 -2.701 982 HD12 ILE 127 HD12 ILE 127 -4.007 -4.565 -2.556 983 HD13 ILE 127 HD13 ILE 127 -4.807 -3.036 -2.925 984 HA PRO 128 HA PRO 128 -3.246 -9.033 2.705 985 HB2 PRO 128 HB2 PRO 128 -2.513 -7.370 5.042 986 HB3 PRO 128 HB1 PRO 128 -1.720 -8.811 4.404 987 HG2 PRO 128 HG2 PRO 128 -0.645 -6.377 4.106 988 HG3 PRO 128 HG1 PRO 128 -0.499 -7.616 2.849 989 HD2 PRO 128 HD2 PRO 128 -2.277 -5.218 2.942 990 HD3 PRO 128 HD1 PRO 128 -1.446 -5.975 1.572 991 H SER 129 HN SER 129 -4.544 -5.988 3.833 992 HA SER 129 HA SER 129 -6.467 -5.342 4.831 993 HB2 SER 129 HB2 SER 129 -7.614 -6.914 3.308 994 HB3 SER 129 HB1 SER 129 -7.371 -8.222 4.458 995 HG SER 129 HG SER 129 -8.563 -6.881 5.970 996 H LYS 130 HN LYS 130 -4.171 -6.702 6.012 997 HA LYS 130 HA LYS 130 -5.114 -6.872 8.750 998 HB2 LYS 130 HB2 LYS 130 -3.275 -8.898 7.424 999 HB3 LYS 130 HB1 LYS 130 -3.612 -8.819 9.143 1000 HG2 LYS 130 HG2 LYS 130 -5.650 -9.392 6.997 1001 HG3 LYS 130 HG1 LYS 130 -4.852 -10.603 8.002 1002 HD2 LYS 130 HD2 LYS 130 -5.884 -9.704 9.991 1003 HD3 LYS 130 HD1 LYS 130 -6.545 -8.345 9.084 1004 HE2 LYS 130 HE2 LYS 130 -8.239 -10.071 9.538 1005 HE3 LYS 130 HE1 LYS 130 -7.970 -9.838 7.814 1006 HZ1 LYS 130 HZ1 LYS 130 -8.114 -12.177 8.395 1007 HZ2 LYS 130 HZ2 LYS 130 -6.819 -12.025 9.458 1008 HZ3 LYS 130 HZ3 LYS 130 -6.581 -11.807 7.812 1009 H ASP 131 HN ASP 131 -3.227 -6.656 10.164 1010 HA ASP 131 HA ASP 131 -1.605 -4.471 9.282 1011 HB2 ASP 131 HB2 ASP 131 -2.527 -4.623 11.575 1012 HB3 ASP 131 HB1 ASP 131 -1.495 -6.014 11.874 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -21.965 16.704 23.255 2 H2 MET 1 HT2 MET 1 -20.888 16.953 24.518 3 H3 MET 1 HT3 MET 1 -22.539 16.953 24.814 4 HA MET 1 HA MET 1 -22.729 14.642 24.260 5 HB2 MET 1 HB2 MET 1 -19.696 14.706 24.035 6 HB3 MET 1 HB1 MET 1 -20.699 13.279 23.964 7 HG2 MET 1 HG2 MET 1 -19.962 13.817 21.760 8 HG3 MET 1 HG1 MET 1 -21.690 14.139 21.860 9 HE1 MET 1 HE1 MET 1 -20.290 16.818 19.318 10 HE2 MET 1 HE2 MET 1 -21.381 15.446 19.535 11 HE3 MET 1 HE3 MET 1 -19.637 15.199 19.568 12 H HIS 2 HN HIS 2 -19.951 16.082 25.942 13 HA HIS 2 HA HIS 2 -20.813 14.735 28.395 14 HB2 HIS 2 HB2 HIS 2 -17.992 15.552 27.601 15 HB3 HIS 2 HB1 HIS 2 -18.459 14.674 29.045 16 HD1 HIS 2 HD1 HIS 2 -16.806 14.041 26.034 17 HD2 HIS 2 HD2 HIS 2 -19.878 12.108 28.047 18 HE1 HIS 2 HE1 HIS 2 -16.809 11.679 25.176 19 H HIS 3 HN HIS 3 -19.572 16.136 30.228 20 HA HIS 3 HA HIS 3 -20.401 18.878 29.784 21 HB2 HIS 3 HB2 HIS 3 -19.388 17.491 32.290 22 HB3 HIS 3 HB1 HIS 3 -19.941 19.160 32.224 23 HD1 HIS 3 HD1 HIS 3 -21.166 15.945 33.144 24 HD2 HIS 3 HD2 HIS 3 -22.758 19.201 31.125 25 HE1 HIS 3 HE1 HIS 3 -23.672 15.658 33.215 26 H HIS 4 HN HIS 4 -17.704 16.969 29.591 27 HA HIS 4 HA HIS 4 -15.884 19.233 29.746 28 HB2 HIS 4 HB2 HIS 4 -15.306 16.254 29.544 29 HB3 HIS 4 HB1 HIS 4 -14.075 17.511 29.564 30 HD1 HIS 4 HD1 HIS 4 -13.319 18.340 31.884 31 HD2 HIS 4 HD2 HIS 4 -16.730 15.968 32.016 32 HE1 HIS 4 HE1 HIS 4 -13.772 17.901 34.312 33 H HIS 5 HN HIS 5 -14.625 19.735 27.929 34 HA HIS 5 HA HIS 5 -16.064 19.106 25.487 35 HB2 HIS 5 HB2 HIS 5 -14.155 21.323 26.173 36 HB3 HIS 5 HB1 HIS 5 -14.728 21.029 24.535 37 HD1 HIS 5 HD1 HIS 5 -17.189 21.578 24.040 38 HD2 HIS 5 HD2 HIS 5 -16.030 22.389 27.935 39 HE1 HIS 5 HE1 HIS 5 -19.047 22.976 25.039 40 H HIS 6 HN HIS 6 -14.988 18.766 23.533 41 HA HIS 6 HA HIS 6 -12.744 16.941 23.799 42 HB2 HIS 6 HB2 HIS 6 -14.262 17.789 21.303 43 HB3 HIS 6 HB1 HIS 6 -13.091 16.487 21.400 44 HD1 HIS 6 HD1 HIS 6 -13.922 14.226 22.468 45 HD2 HIS 6 HD2 HIS 6 -16.808 17.205 22.222 46 HE1 HIS 6 HE1 HIS 6 -16.123 13.108 22.920 47 H HIS 7 HN HIS 7 -10.724 17.587 23.543 48 HA HIS 7 HA HIS 7 -10.247 20.159 22.232 49 HB2 HIS 7 HB2 HIS 7 -8.865 18.867 24.565 50 HB3 HIS 7 HB1 HIS 7 -8.108 20.170 23.670 51 HD1 HIS 7 HD1 HIS 7 -8.396 22.315 24.910 52 HD2 HIS 7 HD2 HIS 7 -11.667 19.805 25.358 53 HE1 HIS 7 HE1 HIS 7 -10.009 23.539 26.389 54 H SER 8 HN SER 8 -9.938 19.370 20.217 55 HA SER 8 HA SER 8 -8.780 18.813 18.420 56 HB2 SER 8 HB2 SER 8 -6.415 18.795 20.282 57 HB3 SER 8 HB1 SER 8 -6.306 18.738 18.521 58 HG SER 8 HG SER 8 -6.921 20.759 18.384 59 H SER 9 HN SER 9 -7.682 16.616 20.987 60 HA SER 9 HA SER 9 -7.782 14.441 19.002 61 HB2 SER 9 HB2 SER 9 -5.988 14.570 21.427 62 HB3 SER 9 HB1 SER 9 -5.864 13.484 20.039 63 HG SER 9 HG SER 9 -5.132 15.152 18.781 64 H GLY 10 HN GLY 10 -8.805 12.545 19.710 65 HA2 GLY 10 HA2 GLY 10 -9.240 11.639 22.220 66 HA3 GLY 10 HA1 GLY 10 -10.563 12.765 21.939 67 H LEU 11 HN LEU 11 -11.570 10.479 22.276 68 HA LEU 11 HA LEU 11 -11.575 8.681 20.088 69 HB2 LEU 11 HB2 LEU 11 -13.628 9.108 22.257 70 HB3 LEU 11 HB1 LEU 11 -13.669 7.791 21.108 71 HG LEU 11 HG LEU 11 -11.527 8.239 23.191 72 HD11 LEU 11 HD11 LEU 11 -13.650 7.593 24.168 73 HD12 LEU 11 HD12 LEU 11 -12.489 6.266 24.260 74 HD13 LEU 11 HD13 LEU 11 -13.769 6.233 23.049 75 HD21 LEU 11 HD21 LEU 11 -10.636 7.123 21.205 76 HD22 LEU 11 HD22 LEU 11 -11.956 5.955 21.257 77 HD23 LEU 11 HD23 LEU 11 -10.760 5.993 22.554 78 H VAL 12 HN VAL 12 -12.426 8.957 18.193 79 HA VAL 12 HA VAL 12 -14.647 10.842 17.905 80 HB VAL 12 HB VAL 12 -13.912 11.168 15.545 81 HG11 VAL 12 HG11 VAL 12 -11.823 11.799 17.622 82 HG12 VAL 12 HG12 VAL 12 -13.244 12.769 17.249 83 HG13 VAL 12 HG13 VAL 12 -11.961 12.579 16.049 84 HG21 VAL 12 HG21 VAL 12 -12.687 9.073 15.226 85 HG22 VAL 12 HG22 VAL 12 -11.467 9.604 16.386 86 HG23 VAL 12 HG23 VAL 12 -11.665 10.462 14.861 87 HA PRO 13 HA PRO 13 -16.975 7.391 16.291 88 HB2 PRO 13 HB2 PRO 13 -18.963 8.674 15.034 89 HB3 PRO 13 HB1 PRO 13 -18.813 8.729 16.794 90 HG2 PRO 13 HG2 PRO 13 -17.978 10.759 14.760 91 HG3 PRO 13 HG1 PRO 13 -18.829 11.001 16.298 92 HD2 PRO 13 HD2 PRO 13 -16.145 11.408 15.999 93 HD3 PRO 13 HD1 PRO 13 -16.890 10.910 17.529 94 H ARG 14 HN ARG 14 -14.789 8.769 14.595 95 HA ARG 14 HA ARG 14 -15.719 7.872 11.952 96 HB2 ARG 14 HB2 ARG 14 -13.510 9.862 12.537 97 HB3 ARG 14 HB1 ARG 14 -14.166 9.447 10.961 98 HG2 ARG 14 HG2 ARG 14 -15.651 10.860 13.166 99 HG3 ARG 14 HG1 ARG 14 -14.961 11.629 11.741 100 HD2 ARG 14 HD2 ARG 14 -16.487 10.461 10.309 101 HD3 ARG 14 HD1 ARG 14 -17.072 9.482 11.656 102 HE ARG 14 HE ARG 14 -17.390 12.233 12.199 103 HH11 ARG 14 HH11 ARG 14 -18.831 9.685 10.191 104 HH12 ARG 14 HH12 ARG 14 -20.398 10.298 10.337 105 HH21 ARG 14 HH21 ARG 14 -19.532 13.073 12.332 106 HH22 ARG 14 HH22 ARG 14 -20.820 12.285 11.539 107 H GLY 15 HN GLY 15 -14.744 6.096 11.331 108 HA2 GLY 15 HA2 GLY 15 -12.127 5.489 11.217 109 HA3 GLY 15 HA1 GLY 15 -12.537 5.038 12.868 110 H SER 16 HN SER 16 -14.786 4.768 10.232 111 HA SER 16 HA SER 16 -14.664 1.851 10.474 112 HB2 SER 16 HB2 SER 16 -16.865 3.058 10.912 113 HB3 SER 16 HB1 SER 16 -16.837 3.590 9.232 114 HG SER 16 HG SER 16 -16.914 1.427 8.605 115 H ASP 17 HN ASP 17 -12.651 3.089 9.198 116 HA ASP 17 HA ASP 17 -13.157 2.898 6.325 117 HB2 ASP 17 HB2 ASP 17 -11.022 4.487 7.785 118 HB3 ASP 17 HB1 ASP 17 -11.209 4.390 6.043 119 H THR 18 HN THR 18 -11.824 1.502 5.249 120 HA THR 18 HA THR 18 -10.371 -0.291 6.942 121 HB THR 18 HB THR 18 -10.162 -1.602 4.781 122 HG1 THR 18 HG1 THR 18 -11.819 -0.701 3.204 123 HG21 THR 18 HG21 THR 18 -11.928 -2.066 6.368 124 HG22 THR 18 HG22 THR 18 -12.646 -2.101 4.746 125 HG23 THR 18 HG23 THR 18 -12.840 -0.687 5.799 126 H SER 19 HN SER 19 -9.677 2.479 5.588 127 HA SER 19 HA SER 19 -7.118 1.987 4.444 128 HB2 SER 19 HB2 SER 19 -8.409 4.570 5.332 129 HB3 SER 19 HB1 SER 19 -6.961 4.433 4.331 130 HG SER 19 HG SER 19 -8.827 2.896 3.256 131 H LYS 20 HN LYS 20 -8.150 2.025 7.653 132 HA LYS 20 HA LYS 20 -5.733 3.195 8.675 133 HB2 LYS 20 HB2 LYS 20 -6.561 2.684 10.943 134 HB3 LYS 20 HB1 LYS 20 -7.756 3.532 9.994 135 HG2 LYS 20 HG2 LYS 20 -8.889 1.898 11.315 136 HG3 LYS 20 HG1 LYS 20 -8.919 1.332 9.647 137 HD2 LYS 20 HD2 LYS 20 -7.105 -0.227 10.123 138 HD3 LYS 20 HD1 LYS 20 -6.963 0.400 11.759 139 HE2 LYS 20 HE2 LYS 20 -9.468 -0.873 10.693 140 HE3 LYS 20 HE1 LYS 20 -8.197 -1.791 11.490 141 HZ1 LYS 20 HZ1 LYS 20 -9.694 0.458 12.722 142 HZ2 LYS 20 HZ2 LYS 20 -8.522 -0.498 13.469 143 HZ3 LYS 20 HZ3 LYS 20 -9.970 -1.183 12.987 144 H PHE 21 HN PHE 21 -6.537 0.163 7.513 145 HA PHE 21 HA PHE 21 -5.025 -1.449 9.303 146 HB2 PHE 21 HB2 PHE 21 -6.133 -2.008 6.562 147 HB3 PHE 21 HB1 PHE 21 -5.184 -3.187 7.453 148 HD1 PHE 21 HD1 PHE 21 -6.050 -4.061 9.613 149 HD2 PHE 21 HD2 PHE 21 -8.418 -1.648 7.037 150 HE1 PHE 21 HE1 PHE 21 -8.079 -4.853 10.747 151 HE2 PHE 21 HE2 PHE 21 -10.457 -2.436 8.169 152 HZ PHE 21 HZ PHE 21 -10.286 -4.044 10.026 153 H TRP 22 HN TRP 22 -4.151 0.398 6.543 154 HA TRP 22 HA TRP 22 -1.514 -0.873 6.628 155 HB2 TRP 22 HB2 TRP 22 -1.256 0.157 4.298 156 HB3 TRP 22 HB1 TRP 22 -2.294 -1.249 4.468 157 HD1 TRP 22 HD1 TRP 22 -4.705 -1.036 3.593 158 HE1 TRP 22 HE1 TRP 22 -6.124 0.850 2.584 159 HE3 TRP 22 HE3 TRP 22 -1.612 2.977 4.574 160 HZ2 TRP 22 HZ2 TRP 22 -5.955 3.645 2.237 161 HZ3 TRP 22 HZ3 TRP 22 -2.342 5.171 3.875 162 HH2 TRP 22 HH2 TRP 22 -4.453 5.517 2.742 163 H TYR 23 HN TYR 23 -3.053 1.751 7.698 164 HA TYR 23 HA TYR 23 -0.814 3.526 7.122 165 HB2 TYR 23 HB2 TYR 23 -3.015 4.320 6.340 166 HB3 TYR 23 HB1 TYR 23 -3.607 4.258 7.998 167 HD1 TYR 23 HD2 TYR 23 -1.055 5.827 5.841 168 HD2 TYR 23 HD1 TYR 23 -3.294 6.089 9.438 169 HE1 TYR 23 HE2 TYR 23 -0.185 8.056 6.190 170 HE2 TYR 23 HE1 TYR 23 -2.430 8.351 9.822 171 HH TYR 23 HH TYR 23 -0.533 9.712 9.187 172 H LYS 24 HN LYS 24 0.556 3.589 8.666 173 HA LYS 24 HA LYS 24 -0.330 4.357 11.228 174 HB2 LYS 24 HB2 LYS 24 1.188 2.724 12.459 175 HB3 LYS 24 HB1 LYS 24 -0.346 2.094 11.896 176 HG2 LYS 24 HG2 LYS 24 2.309 1.646 10.519 177 HG3 LYS 24 HG1 LYS 24 1.624 0.544 11.711 178 HD2 LYS 24 HD2 LYS 24 -0.376 0.317 10.210 179 HD3 LYS 24 HD1 LYS 24 0.495 1.261 9.003 180 HE2 LYS 24 HE2 LYS 24 0.758 -1.066 8.482 181 HE3 LYS 24 HE1 LYS 24 2.300 -0.448 9.067 182 HZ1 LYS 24 HZ1 LYS 24 1.861 -1.491 11.232 183 HZ2 LYS 24 HZ2 LYS 24 1.676 -2.648 10.003 184 HZ3 LYS 24 HZ3 LYS 24 0.346 -1.966 10.693 185 HA PRO 25 HA PRO 25 3.042 6.797 9.823 186 HB2 PRO 25 HB2 PRO 25 2.357 9.050 11.009 187 HB3 PRO 25 HB1 PRO 25 1.390 8.395 9.687 188 HG2 PRO 25 HG2 PRO 25 0.899 8.213 12.637 189 HG3 PRO 25 HG1 PRO 25 -0.247 8.617 11.345 190 HD2 PRO 25 HD2 PRO 25 -0.017 6.125 12.445 191 HD3 PRO 25 HD1 PRO 25 -0.575 6.418 10.783 192 H HIS 26 HN HIS 26 2.942 5.236 12.577 193 HA HIS 26 HA HIS 26 4.770 6.993 14.069 194 HB2 HIS 26 HB2 HIS 26 3.401 4.474 15.015 195 HB3 HIS 26 HB1 HIS 26 4.325 5.601 15.996 196 HD1 HIS 26 HD1 HIS 26 0.954 4.750 15.309 197 HD2 HIS 26 HD2 HIS 26 3.009 8.312 15.852 198 HE1 HIS 26 HE1 HIS 26 -0.787 6.473 15.881 199 H LEU 27 HN LEU 27 4.858 4.486 11.916 200 HA LEU 27 HA LEU 27 7.007 3.075 13.236 201 HB2 LEU 27 HB2 LEU 27 5.673 2.570 10.588 202 HB3 LEU 27 HB1 LEU 27 6.954 1.575 11.255 203 HG LEU 27 HG LEU 27 4.172 1.929 12.379 204 HD11 LEU 27 HD11 LEU 27 4.271 0.478 10.455 205 HD12 LEU 27 HD12 LEU 27 3.970 -0.454 11.921 206 HD13 LEU 27 HD13 LEU 27 5.578 -0.448 11.192 207 HD21 LEU 27 HD21 LEU 27 5.798 1.737 14.198 208 HD22 LEU 27 HD22 LEU 27 6.461 0.295 13.419 209 HD23 LEU 27 HD23 LEU 27 4.816 0.277 14.048 210 H SER 28 HN SER 28 9.055 2.959 12.610 211 HA SER 28 HA SER 28 10.066 5.179 11.077 212 HB2 SER 28 HB2 SER 28 12.215 4.402 11.997 213 HB3 SER 28 HB1 SER 28 10.987 4.548 13.271 214 HG SER 28 HG SER 28 11.885 2.664 13.627 215 H ARG 29 HN ARG 29 12.138 4.439 9.680 216 HA ARG 29 HA ARG 29 11.254 2.777 7.579 217 HB2 ARG 29 HB2 ARG 29 13.001 4.501 7.251 218 HB3 ARG 29 HB1 ARG 29 14.079 3.620 8.327 219 HG2 ARG 29 HG2 ARG 29 13.946 1.702 6.723 220 HG3 ARG 29 HG1 ARG 29 13.114 2.787 5.611 221 HD2 ARG 29 HD2 ARG 29 15.853 3.287 6.773 222 HD3 ARG 29 HD1 ARG 29 15.551 2.603 5.180 223 HE ARG 29 HE ARG 29 14.191 4.965 5.221 224 HH11 ARG 29 HH11 ARG 29 17.540 4.016 5.772 225 HH12 ARG 29 HH12 ARG 29 18.224 5.425 5.097 226 HH21 ARG 29 HH21 ARG 29 15.116 6.930 4.237 227 HH22 ARG 29 HH22 ARG 29 16.810 7.103 4.216 228 H ASP 30 HN ASP 30 13.386 2.337 10.325 229 HA ASP 30 HA ASP 30 14.306 -0.259 9.987 230 HB2 ASP 30 HB2 ASP 30 13.565 1.154 12.568 231 HB3 ASP 30 HB1 ASP 30 14.488 -0.334 12.481 232 H GLN 31 HN GLN 31 11.442 0.897 11.573 233 HA GLN 31 HA GLN 31 10.482 -1.676 12.347 234 HB2 GLN 31 HB2 GLN 31 9.112 0.994 12.204 235 HB3 GLN 31 HB1 GLN 31 8.336 -0.434 12.850 236 HG2 GLN 31 HG2 GLN 31 10.094 -0.588 14.549 237 HG3 GLN 31 HG1 GLN 31 10.820 0.879 13.897 238 HE21 GLN 31 HE21 GLN 31 8.208 -0.445 15.715 239 HE22 GLN 31 HE22 GLN 31 7.599 1.057 16.298 240 H ALA 32 HN ALA 32 9.938 0.403 9.614 241 HA ALA 32 HA ALA 32 7.740 -0.955 8.550 242 HB1 ALA 32 HB1 ALA 32 8.382 1.296 7.842 243 HB2 ALA 32 HB2 ALA 32 8.292 0.220 6.437 244 HB3 ALA 32 HB3 ALA 32 9.857 0.656 7.122 245 H ILE 33 HN ILE 33 11.204 -1.245 7.999 246 HA ILE 33 HA ILE 33 11.095 -3.329 6.086 247 HB ILE 33 HB ILE 33 13.333 -2.687 8.038 248 HG12 ILE 33 HG12 ILE 33 13.125 -1.775 5.176 249 HG13 ILE 33 HG11 ILE 33 12.475 -0.812 6.497 250 HG21 ILE 33 HG21 ILE 33 13.552 -4.891 6.964 251 HG22 ILE 33 HG22 ILE 33 14.778 -3.772 6.371 252 HG23 ILE 33 HG23 ILE 33 13.372 -4.138 5.378 253 HD11 ILE 33 HD11 ILE 33 14.707 -0.088 5.826 254 HD12 ILE 33 HD12 ILE 33 15.349 -1.685 6.255 255 HD13 ILE 33 HD13 ILE 33 14.621 -0.644 7.494 256 H ALA 34 HN ALA 34 11.319 -3.256 9.600 257 HA ALA 34 HA ALA 34 11.709 -5.985 10.125 258 HB1 ALA 34 HB1 ALA 34 10.139 -4.014 11.775 259 HB2 ALA 34 HB2 ALA 34 11.892 -4.221 11.849 260 HB3 ALA 34 HB3 ALA 34 10.816 -5.534 12.350 261 H LEU 35 HN LEU 35 8.813 -4.104 9.625 262 HA LEU 35 HA LEU 35 6.920 -6.119 10.192 263 HB2 LEU 35 HB2 LEU 35 6.819 -3.467 9.896 264 HB3 LEU 35 HB1 LEU 35 6.392 -3.901 8.261 265 HG LEU 35 HG LEU 35 4.424 -3.399 9.598 266 HD11 LEU 35 HD11 LEU 35 4.125 -4.997 7.822 267 HD12 LEU 35 HD12 LEU 35 3.110 -5.431 9.203 268 HD13 LEU 35 HD13 LEU 35 4.609 -6.312 8.890 269 HD21 LEU 35 HD21 LEU 35 3.788 -4.777 11.501 270 HD22 LEU 35 HD22 LEU 35 5.365 -4.015 11.766 271 HD23 LEU 35 HD23 LEU 35 5.273 -5.711 11.331 272 H LEU 36 HN LEU 36 8.382 -4.891 7.223 273 HA LEU 36 HA LEU 36 6.904 -6.614 5.516 274 HB2 LEU 36 HB2 LEU 36 9.254 -4.853 5.005 275 HB3 LEU 36 HB1 LEU 36 8.442 -5.767 3.757 276 HG LEU 36 HG LEU 36 7.283 -3.540 5.431 277 HD11 LEU 36 HD11 LEU 36 8.762 -2.793 3.709 278 HD12 LEU 36 HD12 LEU 36 7.094 -2.383 3.304 279 HD13 LEU 36 HD13 LEU 36 7.891 -3.735 2.498 280 HD21 LEU 36 HD21 LEU 36 5.941 -5.237 3.326 281 HD22 LEU 36 HD22 LEU 36 5.277 -3.765 4.027 282 HD23 LEU 36 HD23 LEU 36 5.532 -5.177 5.046 283 H LYS 37 HN LYS 37 9.828 -7.109 7.241 284 HA LYS 37 HA LYS 37 10.610 -9.146 5.383 285 HB2 LYS 37 HB2 LYS 37 12.465 -9.699 6.916 286 HB3 LYS 37 HB1 LYS 37 12.363 -7.977 6.583 287 HG2 LYS 37 HG2 LYS 37 11.389 -7.575 8.754 288 HG3 LYS 37 HG1 LYS 37 11.372 -9.304 9.097 289 HD2 LYS 37 HD2 LYS 37 13.282 -8.201 10.184 290 HD3 LYS 37 HD1 LYS 37 13.815 -9.366 8.975 291 HE2 LYS 37 HE2 LYS 37 14.129 -7.497 7.369 292 HE3 LYS 37 HE1 LYS 37 13.662 -6.369 8.644 293 HZ1 LYS 37 HZ1 LYS 37 16.068 -6.592 8.301 294 HZ2 LYS 37 HZ2 LYS 37 16.001 -8.199 8.796 295 HZ3 LYS 37 HZ3 LYS 37 15.624 -6.977 9.875 296 H ASP 38 HN ASP 38 8.421 -8.921 7.844 297 HA ASP 38 HA ASP 38 8.390 -11.781 8.352 298 HB2 ASP 38 HB2 ASP 38 7.998 -10.380 10.285 299 HB3 ASP 38 HB1 ASP 38 6.728 -9.500 9.444 300 H LYS 39 HN LYS 39 6.930 -9.388 6.404 301 HA LYS 39 HA LYS 39 4.829 -11.238 5.707 302 HB2 LYS 39 HB2 LYS 39 4.894 -8.268 5.431 303 HB3 LYS 39 HB1 LYS 39 3.815 -9.237 4.434 304 HG2 LYS 39 HG2 LYS 39 2.890 -10.240 6.501 305 HG3 LYS 39 HG1 LYS 39 3.888 -9.129 7.438 306 HD2 LYS 39 HD2 LYS 39 1.579 -8.316 7.238 307 HD3 LYS 39 HD1 LYS 39 2.711 -7.227 6.444 308 HE2 LYS 39 HE2 LYS 39 0.613 -7.600 5.151 309 HE3 LYS 39 HE1 LYS 39 2.060 -8.048 4.263 310 HZ1 LYS 39 HZ1 LYS 39 0.354 -10.024 5.706 311 HZ2 LYS 39 HZ2 LYS 39 1.518 -10.344 4.471 312 HZ3 LYS 39 HZ3 LYS 39 0.108 -9.602 4.115 313 H ASP 40 HN ASP 40 3.986 -11.121 3.587 314 HA ASP 40 HA ASP 40 5.788 -12.360 1.836 315 HB2 ASP 40 HB2 ASP 40 3.686 -12.580 0.505 316 HB3 ASP 40 HB1 ASP 40 3.585 -13.187 2.154 317 HA PRO 41 HA PRO 41 6.737 -9.067 -1.105 318 HB2 PRO 41 HB2 PRO 41 5.965 -11.038 -3.196 319 HB3 PRO 41 HB1 PRO 41 7.473 -10.136 -3.016 320 HG2 PRO 41 HG2 PRO 41 7.417 -12.718 -2.433 321 HG3 PRO 41 HG1 PRO 41 8.302 -11.586 -1.394 322 HD2 PRO 41 HD2 PRO 41 5.612 -12.828 -0.968 323 HD3 PRO 41 HD1 PRO 41 6.946 -12.589 0.183 324 H GLY 42 HN GLY 42 5.471 -7.451 -1.693 325 HA2 GLY 42 HA2 GLY 42 3.675 -6.612 -3.091 326 HA3 GLY 42 HA1 GLY 42 2.746 -8.042 -2.644 327 H ALA 43 HN ALA 43 4.191 -7.447 0.085 328 HA ALA 43 HA ALA 43 1.952 -6.115 1.249 329 HB1 ALA 43 HB1 ALA 43 3.126 -6.433 3.356 330 HB2 ALA 43 HB2 ALA 43 4.572 -6.937 2.483 331 HB3 ALA 43 HB3 ALA 43 3.117 -7.928 2.415 332 H PHE 44 HN PHE 44 2.016 -4.151 2.395 333 HA PHE 44 HA PHE 44 4.287 -2.380 1.994 334 HB2 PHE 44 HB2 PHE 44 3.065 -0.712 0.861 335 HB3 PHE 44 HB1 PHE 44 2.754 -2.201 -0.019 336 HD1 PHE 44 HD1 PHE 44 0.553 -3.474 0.721 337 HD2 PHE 44 HD2 PHE 44 1.279 0.655 1.402 338 HE1 PHE 44 HE1 PHE 44 -1.841 -3.083 0.919 339 HE2 PHE 44 HE2 PHE 44 -1.125 1.047 1.606 340 HZ PHE 44 HZ PHE 44 -2.694 -0.823 1.370 341 H LEU 45 HN LEU 45 3.916 -0.383 3.173 342 HA LEU 45 HA LEU 45 1.613 -0.117 4.833 343 HB2 LEU 45 HB2 LEU 45 2.709 0.076 6.957 344 HB3 LEU 45 HB1 LEU 45 3.093 -1.497 6.304 345 HG LEU 45 HG LEU 45 5.011 0.826 6.117 346 HD11 LEU 45 HD11 LEU 45 4.407 0.403 8.447 347 HD12 LEU 45 HD12 LEU 45 6.074 -0.019 8.096 348 HD13 LEU 45 HD13 LEU 45 4.857 -1.294 8.259 349 HD21 LEU 45 HD21 LEU 45 5.390 -2.163 6.029 350 HD22 LEU 45 HD22 LEU 45 6.661 -0.952 5.893 351 HD23 LEU 45 HD23 LEU 45 5.422 -1.078 4.640 352 H ILE 46 HN ILE 46 1.389 2.016 5.579 353 HA ILE 46 HA ILE 46 3.270 3.855 4.311 354 HB ILE 46 HB ILE 46 0.249 4.128 4.525 355 HG12 ILE 46 HG12 ILE 46 2.091 3.800 2.165 356 HG13 ILE 46 HG11 ILE 46 1.033 2.556 2.810 357 HG21 ILE 46 HG21 ILE 46 1.350 6.291 4.807 358 HG22 ILE 46 HG22 ILE 46 0.551 6.204 3.235 359 HG23 ILE 46 HG23 ILE 46 2.298 6.001 3.349 360 HD11 ILE 46 HD11 ILE 46 0.126 5.146 1.548 361 HD12 ILE 46 HD12 ILE 46 -0.918 3.824 2.082 362 HD13 ILE 46 HD13 ILE 46 0.239 3.581 0.758 363 H ARG 47 HN ARG 47 4.113 5.356 5.542 364 HA ARG 47 HA ARG 47 2.772 6.104 8.007 365 HB2 ARG 47 HB2 ARG 47 4.711 5.878 9.400 366 HB3 ARG 47 HB1 ARG 47 4.638 4.398 8.470 367 HG2 ARG 47 HG2 ARG 47 6.324 6.689 7.607 368 HG3 ARG 47 HG1 ARG 47 6.915 5.559 8.835 369 HD2 ARG 47 HD2 ARG 47 6.505 3.753 7.122 370 HD3 ARG 47 HD1 ARG 47 6.178 5.043 5.959 371 HE ARG 47 HE ARG 47 8.608 5.517 7.281 372 HH11 ARG 47 HH11 ARG 47 7.213 3.567 4.697 373 HH12 ARG 47 HH12 ARG 47 8.714 3.192 3.971 374 HH21 ARG 47 HH21 ARG 47 10.664 5.070 6.248 375 HH22 ARG 47 HH22 ARG 47 10.718 4.078 4.858 376 H ASP 48 HN ASP 48 4.363 8.077 8.911 377 HA ASP 48 HA ASP 48 4.238 10.203 7.055 378 HB2 ASP 48 HB2 ASP 48 4.128 10.614 9.438 379 HB3 ASP 48 HB1 ASP 48 5.661 9.807 9.701 380 H SER 49 HN SER 49 5.816 10.992 5.598 381 HA SER 49 HA SER 49 7.980 9.209 5.050 382 HB2 SER 49 HB2 SER 49 6.856 10.324 3.169 383 HB3 SER 49 HB1 SER 49 7.363 11.899 3.788 384 HG SER 49 HG SER 49 8.643 10.456 2.100 385 H HIS 50 HN HIS 50 10.033 9.428 5.409 386 HA HIS 50 HA HIS 50 10.882 11.051 7.591 387 HB2 HIS 50 HB2 HIS 50 12.429 9.287 5.697 388 HB3 HIS 50 HB1 HIS 50 13.097 10.002 7.152 389 HD1 HIS 50 HD1 HIS 50 12.516 8.762 9.405 390 HD2 HIS 50 HD2 HIS 50 10.587 7.215 6.061 391 HE1 HIS 50 HE1 HIS 50 11.444 6.620 10.148 392 H SER 51 HN SER 51 10.972 11.283 4.156 393 HA SER 51 HA SER 51 13.154 13.128 4.066 394 HB2 SER 51 HB2 SER 51 11.185 12.339 1.944 395 HB3 SER 51 HB1 SER 51 12.799 13.048 1.710 396 HG SER 51 HG SER 51 13.346 11.062 3.101 397 H PHE 52 HN PHE 52 9.602 13.362 3.459 398 HA PHE 52 HA PHE 52 9.800 16.246 3.938 399 HB2 PHE 52 HB2 PHE 52 8.287 15.008 1.626 400 HB3 PHE 52 HB1 PHE 52 8.356 16.716 2.022 401 HD1 PHE 52 HD2 PHE 52 10.490 17.957 1.683 402 HD2 PHE 52 HD1 PHE 52 9.968 13.945 0.387 403 HE1 PHE 52 HE2 PHE 52 12.452 18.171 0.218 404 HE2 PHE 52 HE1 PHE 52 11.916 14.147 -1.075 405 HZ PHE 52 HZ PHE 52 13.170 16.264 -1.163 406 H GLN 53 HN GLN 53 7.964 17.087 4.922 407 HA GLN 53 HA GLN 53 5.996 15.185 5.844 408 HB2 GLN 53 HB2 GLN 53 4.998 17.055 7.071 409 HB3 GLN 53 HB1 GLN 53 6.720 16.961 7.399 410 HG2 GLN 53 HG2 GLN 53 7.143 18.833 5.930 411 HG3 GLN 53 HG1 GLN 53 5.453 18.868 5.443 412 HE21 GLN 53 HE21 GLN 53 4.424 18.390 8.111 413 HE22 GLN 53 HE22 GLN 53 4.685 19.827 9.008 414 H GLY 54 HN GLY 54 3.720 15.466 5.392 415 HA2 GLY 54 HA2 GLY 54 1.957 15.975 3.933 416 HA3 GLY 54 HA1 GLY 54 3.047 17.032 3.027 417 H ALA 55 HN ALA 55 4.464 14.171 3.741 418 HA ALA 55 HA ALA 55 3.607 12.808 1.344 419 HB1 ALA 55 HB1 ALA 55 6.489 13.264 2.179 420 HB2 ALA 55 HB2 ALA 55 5.708 13.949 0.754 421 HB3 ALA 55 HB3 ALA 55 5.962 12.212 0.868 422 H TYR 56 HN TYR 56 3.669 10.667 1.590 423 HA TYR 56 HA TYR 56 4.137 9.622 4.319 424 HB2 TYR 56 HB2 TYR 56 2.149 8.693 2.230 425 HB3 TYR 56 HB1 TYR 56 2.310 8.102 3.878 426 HD1 TYR 56 HD1 TYR 56 1.636 9.560 5.780 427 HD2 TYR 56 HD2 TYR 56 0.884 10.666 1.744 428 HE1 TYR 56 HE1 TYR 56 -0.002 11.222 6.544 429 HE2 TYR 56 HE2 TYR 56 -0.757 12.334 2.496 430 HH TYR 56 HH TYR 56 -1.033 13.211 5.802 431 H GLY 57 HN GLY 57 5.559 8.094 4.445 432 HA2 GLY 57 HA2 GLY 57 6.880 7.330 1.992 433 HA3 GLY 57 HA1 GLY 57 7.493 6.985 3.594 434 H LEU 58 HN LEU 58 6.293 5.675 0.919 435 HA LEU 58 HA LEU 58 4.728 3.559 2.137 436 HB2 LEU 58 HB2 LEU 58 3.790 4.607 0.169 437 HB3 LEU 58 HB1 LEU 58 5.280 4.371 -0.718 438 HG LEU 58 HG LEU 58 4.879 1.896 -0.587 439 HD11 LEU 58 HD11 LEU 58 2.225 2.685 0.472 440 HD12 LEU 58 HD12 LEU 58 3.489 1.799 1.334 441 HD13 LEU 58 HD13 LEU 58 2.703 1.088 -0.082 442 HD21 LEU 58 HD21 LEU 58 4.306 3.146 -2.580 443 HD22 LEU 58 HD22 LEU 58 2.709 3.497 -1.903 444 HD23 LEU 58 HD23 LEU 58 3.174 1.830 -2.265 445 H ALA 59 HN ALA 59 5.736 1.765 2.658 446 HA ALA 59 HA ALA 59 8.281 1.126 1.346 447 HB1 ALA 59 HB1 ALA 59 8.446 1.306 3.785 448 HB2 ALA 59 HB2 ALA 59 8.673 -0.367 3.277 449 HB3 ALA 59 HB3 ALA 59 7.134 0.142 3.968 450 H LEU 60 HN LEU 60 8.294 -0.571 0.043 451 HA LEU 60 HA LEU 60 5.936 -2.324 0.034 452 HB2 LEU 60 HB2 LEU 60 5.900 -0.606 -1.785 453 HB3 LEU 60 HB1 LEU 60 7.427 -1.213 -2.363 454 HG LEU 60 HG LEU 60 5.433 -1.843 -3.737 455 HD11 LEU 60 HD11 LEU 60 7.447 -3.139 -3.939 456 HD12 LEU 60 HD12 LEU 60 6.020 -4.163 -4.116 457 HD13 LEU 60 HD13 LEU 60 6.939 -4.177 -2.608 458 HD21 LEU 60 HD21 LEU 60 3.821 -2.177 -1.968 459 HD22 LEU 60 HD22 LEU 60 4.732 -3.572 -1.380 460 HD23 LEU 60 HD23 LEU 60 3.962 -3.624 -2.967 461 H LYS 61 HN LYS 61 6.427 -4.352 0.217 462 HA LYS 61 HA LYS 61 9.200 -5.248 0.212 463 HB2 LYS 61 HB2 LYS 61 7.721 -5.900 2.047 464 HB3 LYS 61 HB1 LYS 61 6.602 -6.614 0.917 465 HG2 LYS 61 HG2 LYS 61 7.925 -8.312 2.123 466 HG3 LYS 61 HG1 LYS 61 8.196 -8.390 0.375 467 HD2 LYS 61 HD2 LYS 61 10.298 -7.156 0.745 468 HD3 LYS 61 HD1 LYS 61 9.969 -7.163 2.482 469 HE2 LYS 61 HE2 LYS 61 10.411 -9.553 0.693 470 HE3 LYS 61 HE1 LYS 61 11.466 -8.981 1.982 471 HZ1 LYS 61 HZ1 LYS 61 8.779 -10.230 2.278 472 HZ2 LYS 61 HZ2 LYS 61 9.508 -9.444 3.530 473 HZ3 LYS 61 HZ3 LYS 61 10.238 -10.816 2.855 474 H VAL 62 HN VAL 62 10.033 -5.905 -1.707 475 HA VAL 62 HA VAL 62 8.227 -7.143 -3.643 476 HB VAL 62 HB VAL 62 9.964 -6.911 -5.308 477 HG11 VAL 62 HG11 VAL 62 10.288 -4.490 -5.397 478 HG12 VAL 62 HG12 VAL 62 9.698 -4.385 -3.734 479 HG13 VAL 62 HG13 VAL 62 8.634 -4.965 -5.012 480 HG21 VAL 62 HG21 VAL 62 11.779 -5.858 -3.134 481 HG22 VAL 62 HG22 VAL 62 12.161 -5.882 -4.854 482 HG23 VAL 62 HG23 VAL 62 11.951 -7.397 -3.977 483 H ALA 63 HN ALA 63 9.157 -9.088 -4.785 484 HA ALA 63 HA ALA 63 10.039 -10.997 -2.848 485 HB1 ALA 63 HB1 ALA 63 9.883 -11.224 -5.861 486 HB2 ALA 63 HB2 ALA 63 8.591 -11.659 -4.742 487 HB3 ALA 63 HB3 ALA 63 10.102 -12.567 -4.747 488 H THR 64 HN THR 64 11.430 -9.760 -5.866 489 HA THR 64 HA THR 64 13.967 -9.346 -4.658 490 HB THR 64 HB THR 64 14.823 -10.672 -6.855 491 HG1 THR 64 HG1 THR 64 12.844 -12.413 -5.875 492 HG21 THR 64 HG21 THR 64 15.723 -10.989 -4.599 493 HG22 THR 64 HG22 THR 64 15.439 -12.550 -5.378 494 HG23 THR 64 HG23 THR 64 14.302 -11.944 -4.172 495 HA PRO 65 HA PRO 65 13.713 -6.039 -7.688 496 HB2 PRO 65 HB2 PRO 65 16.692 -6.122 -7.667 497 HB3 PRO 65 HB1 PRO 65 15.612 -4.760 -7.349 498 HG2 PRO 65 HG2 PRO 65 16.904 -5.942 -5.342 499 HG3 PRO 65 HG1 PRO 65 15.226 -5.403 -5.146 500 HD2 PRO 65 HD2 PRO 65 16.285 -8.162 -5.675 501 HD3 PRO 65 HD1 PRO 65 15.011 -7.640 -4.524 502 HA PRO 66 HA PRO 66 16.214 -8.475 -11.226 503 HB2 PRO 66 HB2 PRO 66 16.847 -11.062 -10.514 504 HB3 PRO 66 HB1 PRO 66 17.982 -9.733 -10.263 505 HG2 PRO 66 HG2 PRO 66 16.083 -10.846 -8.300 506 HG3 PRO 66 HG1 PRO 66 17.830 -10.573 -8.136 507 HD2 PRO 66 HD2 PRO 66 16.094 -8.957 -7.217 508 HD3 PRO 66 HD1 PRO 66 17.537 -8.271 -8.035 509 HA PRO 67 HA PRO 67 12.179 -10.080 -12.148 510 HB2 PRO 67 HB2 PRO 67 12.770 -11.602 -14.385 511 HB3 PRO 67 HB1 PRO 67 12.485 -9.857 -14.392 512 HG2 PRO 67 HG2 PRO 67 15.060 -11.359 -14.387 513 HG3 PRO 67 HG1 PRO 67 14.631 -9.872 -15.243 514 HD2 PRO 67 HD2 PRO 67 16.134 -9.824 -13.014 515 HD3 PRO 67 HD1 PRO 67 14.948 -8.552 -13.378 516 H SER 68 HN SER 68 14.801 -12.465 -12.226 517 HA SER 68 HA SER 68 12.942 -14.273 -10.839 518 HB2 SER 68 HB2 SER 68 13.293 -14.862 -13.296 519 HB3 SER 68 HB1 SER 68 14.946 -15.272 -12.866 520 HG SER 68 HG SER 68 12.567 -16.386 -11.851 521 H ALA 69 HN ALA 69 15.903 -12.741 -10.892 522 HA ALA 69 HA ALA 69 17.631 -12.593 -9.496 523 HB1 ALA 69 HB1 ALA 69 16.181 -14.489 -7.637 524 HB2 ALA 69 HB2 ALA 69 15.976 -12.721 -7.746 525 HB3 ALA 69 HB3 ALA 69 17.522 -13.379 -7.259 526 H GLN 70 HN GLN 70 17.587 -14.467 -11.568 527 HA GLN 70 HA GLN 70 19.129 -16.675 -10.793 528 HB2 GLN 70 HB2 GLN 70 18.980 -15.299 -13.491 529 HB3 GLN 70 HB1 GLN 70 19.777 -16.841 -13.201 530 HG2 GLN 70 HG2 GLN 70 17.651 -17.795 -12.457 531 HG3 GLN 70 HG1 GLN 70 16.865 -16.251 -12.769 532 HE21 GLN 70 HE21 GLN 70 16.454 -15.638 -14.891 533 HE22 GLN 70 HE22 GLN 70 16.614 -16.758 -16.187 534 HA PRO 71 HA PRO 71 22.962 -13.930 -10.984 535 HB2 PRO 71 HB2 PRO 71 22.294 -11.148 -11.303 536 HB3 PRO 71 HB1 PRO 71 23.287 -12.149 -12.366 537 HG2 PRO 71 HG2 PRO 71 20.833 -11.132 -13.079 538 HG3 PRO 71 HG1 PRO 71 21.543 -12.594 -13.782 539 HD2 PRO 71 HD2 PRO 71 19.490 -12.339 -11.617 540 HD3 PRO 71 HD1 PRO 71 19.553 -13.478 -12.976 541 H TRP 72 HN TRP 72 22.953 -14.318 -8.899 542 HA TRP 72 HA TRP 72 21.477 -12.725 -6.957 543 HB2 TRP 72 HB2 TRP 72 21.377 -15.109 -6.684 544 HB3 TRP 72 HB1 TRP 72 23.123 -15.257 -6.768 545 HD1 TRP 72 HD1 TRP 72 24.506 -14.529 -4.561 546 HE1 TRP 72 HE1 TRP 72 23.818 -14.360 -2.112 547 HE3 TRP 72 HE3 TRP 72 19.431 -14.605 -5.162 548 HZ2 TRP 72 HZ2 TRP 72 21.417 -14.298 -0.597 549 HZ3 TRP 72 HZ3 TRP 72 18.010 -14.500 -3.156 550 HH2 TRP 72 HH2 TRP 72 18.985 -14.351 -0.923 551 H LYS 73 HN LYS 73 22.512 -11.515 -5.344 552 HA LYS 73 HA LYS 73 25.417 -11.142 -5.714 553 HB2 LYS 73 HB2 LYS 73 23.491 -8.995 -4.860 554 HB3 LYS 73 HB1 LYS 73 25.214 -8.804 -5.143 555 HG2 LYS 73 HG2 LYS 73 24.798 -9.442 -7.518 556 HG3 LYS 73 HG1 LYS 73 23.075 -9.372 -7.170 557 HD2 LYS 73 HD2 LYS 73 25.076 -7.169 -6.915 558 HD3 LYS 73 HD1 LYS 73 23.834 -7.291 -8.164 559 HE2 LYS 73 HE2 LYS 73 23.403 -6.845 -5.192 560 HE3 LYS 73 HE1 LYS 73 23.178 -5.655 -6.466 561 HZ1 LYS 73 HZ1 LYS 73 21.502 -8.019 -5.828 562 HZ2 LYS 73 HZ2 LYS 73 21.419 -7.255 -7.329 563 HZ3 LYS 73 HZ3 LYS 73 21.082 -6.389 -5.930 564 H GLY 74 HN GLY 74 22.799 -11.283 -3.426 565 HA2 GLY 74 HA2 GLY 74 23.250 -12.256 -1.281 566 HA3 GLY 74 HA1 GLY 74 24.826 -11.462 -1.309 567 H ASP 75 HN ASP 75 22.335 -9.583 -2.551 568 HA ASP 75 HA ASP 75 22.534 -7.666 -0.514 569 HB2 ASP 75 HB2 ASP 75 20.532 -6.594 -1.724 570 HB3 ASP 75 HB1 ASP 75 22.013 -6.797 -2.649 571 HA PRO 76 HA PRO 76 19.811 -9.374 2.446 572 HB2 PRO 76 HB2 PRO 76 19.583 -7.275 4.099 573 HB3 PRO 76 HB1 PRO 76 21.106 -8.153 3.923 574 HG2 PRO 76 HG2 PRO 76 20.253 -5.579 2.651 575 HG3 PRO 76 HG1 PRO 76 21.800 -5.984 3.417 576 HD2 PRO 76 HD2 PRO 76 21.439 -6.026 0.726 577 HD3 PRO 76 HD1 PRO 76 22.571 -7.107 1.567 578 H VAL 77 HN VAL 77 17.822 -8.868 3.650 579 HA VAL 77 HA VAL 77 15.665 -8.428 1.960 580 HB VAL 77 HB VAL 77 15.194 -9.789 3.846 581 HG11 VAL 77 HG11 VAL 77 15.434 -9.062 6.165 582 HG12 VAL 77 HG12 VAL 77 16.081 -7.516 5.622 583 HG13 VAL 77 HG13 VAL 77 16.983 -8.999 5.326 584 HG21 VAL 77 HG21 VAL 77 13.333 -8.271 3.281 585 HG22 VAL 77 HG22 VAL 77 13.973 -7.143 4.495 586 HG23 VAL 77 HG23 VAL 77 13.358 -8.724 4.998 587 H GLU 78 HN GLU 78 17.361 -6.161 3.945 588 HA GLU 78 HA GLU 78 15.591 -4.044 3.949 589 HB2 GLU 78 HB2 GLU 78 18.590 -4.138 3.946 590 HB3 GLU 78 HB1 GLU 78 17.703 -2.631 4.076 591 HG2 GLU 78 HG2 GLU 78 18.480 -3.538 6.235 592 HG3 GLU 78 HG1 GLU 78 16.739 -3.312 6.180 593 H GLN 79 HN GLN 79 17.480 -5.275 1.280 594 HA GLN 79 HA GLN 79 16.965 -2.852 -0.241 595 HB2 GLN 79 HB2 GLN 79 18.437 -5.359 -1.059 596 HB3 GLN 79 HB1 GLN 79 18.285 -3.904 -2.033 597 HG2 GLN 79 HG2 GLN 79 19.458 -2.650 -0.224 598 HG3 GLN 79 HG1 GLN 79 19.722 -4.187 0.592 599 HE21 GLN 79 HE21 GLN 79 19.843 -3.733 -2.877 600 HE22 GLN 79 HE22 GLN 79 21.524 -4.031 -3.046 601 H LEU 80 HN LEU 80 15.534 -5.807 0.396 602 HA LEU 80 HA LEU 80 14.099 -6.074 -2.102 603 HB2 LEU 80 HB2 LEU 80 13.574 -7.410 0.562 604 HB3 LEU 80 HB1 LEU 80 12.904 -7.882 -0.982 605 HG LEU 80 HG LEU 80 15.804 -8.099 -0.167 606 HD11 LEU 80 HD11 LEU 80 14.344 -9.709 0.945 607 HD12 LEU 80 HD12 LEU 80 15.410 -10.490 -0.220 608 HD13 LEU 80 HD13 LEU 80 13.715 -10.212 -0.622 609 HD21 LEU 80 HD21 LEU 80 15.620 -7.664 -2.553 610 HD22 LEU 80 HD22 LEU 80 14.417 -8.940 -2.712 611 HD23 LEU 80 HD23 LEU 80 16.075 -9.344 -2.285 612 H VAL 81 HN VAL 81 13.894 -4.283 0.701 613 HA VAL 81 HA VAL 81 11.064 -3.751 0.351 614 HB VAL 81 HB VAL 81 13.001 -2.732 2.464 615 HG11 VAL 81 HG11 VAL 81 10.032 -2.286 2.162 616 HG12 VAL 81 HG12 VAL 81 11.289 -1.054 2.026 617 HG13 VAL 81 HG13 VAL 81 10.980 -1.832 3.580 618 HG21 VAL 81 HG21 VAL 81 12.424 -5.095 2.715 619 HG22 VAL 81 HG22 VAL 81 10.710 -4.686 2.626 620 HG23 VAL 81 HG23 VAL 81 11.676 -4.132 3.992 621 H ARG 82 HN ARG 82 10.576 -2.391 -1.117 622 HA ARG 82 HA ARG 82 12.431 -0.368 -2.027 623 HB2 ARG 82 HB2 ARG 82 9.685 -1.183 -2.973 624 HB3 ARG 82 HB1 ARG 82 10.595 0.144 -3.671 625 HG2 ARG 82 HG2 ARG 82 11.326 -2.775 -3.690 626 HG3 ARG 82 HG1 ARG 82 10.835 -1.782 -5.067 627 HD2 ARG 82 HD2 ARG 82 12.851 -0.328 -4.528 628 HD3 ARG 82 HD1 ARG 82 13.334 -1.638 -3.445 629 HE ARG 82 HE ARG 82 12.780 -2.550 -6.065 630 HH11 ARG 82 HH11 ARG 82 15.309 -1.224 -3.983 631 HH12 ARG 82 HH12 ARG 82 16.574 -1.540 -5.068 632 HH21 ARG 82 HH21 ARG 82 14.505 -2.938 -7.568 633 HH22 ARG 82 HH22 ARG 82 16.116 -2.506 -7.146 634 H HIS 83 HN HIS 83 11.981 1.813 -1.994 635 HA HIS 83 HA HIS 83 9.884 2.588 -0.150 636 HB2 HIS 83 HB2 HIS 83 12.775 3.251 0.008 637 HB3 HIS 83 HB1 HIS 83 11.609 4.482 0.478 638 HD1 HIS 83 HD1 HIS 83 13.218 1.367 1.741 639 HD2 HIS 83 HD2 HIS 83 9.936 3.760 2.612 640 HE1 HIS 83 HE1 HIS 83 12.499 0.748 4.059 641 H PHE 84 HN PHE 84 8.597 3.955 -0.863 642 HA PHE 84 HA PHE 84 9.407 5.877 -2.917 643 HB2 PHE 84 HB2 PHE 84 6.771 4.373 -2.794 644 HB3 PHE 84 HB1 PHE 84 7.247 5.565 -3.991 645 HD1 PHE 84 HD1 PHE 84 9.118 4.998 -5.566 646 HD2 PHE 84 HD2 PHE 84 7.242 2.098 -3.099 647 HE1 PHE 84 HE1 PHE 84 9.959 3.216 -7.035 648 HE2 PHE 84 HE2 PHE 84 8.079 0.305 -4.558 649 HZ PHE 84 HZ PHE 84 9.442 0.862 -6.531 650 H LEU 85 HN LEU 85 7.848 7.766 -2.784 651 HA LEU 85 HA LEU 85 6.435 7.723 -0.266 652 HB2 LEU 85 HB2 LEU 85 7.015 10.003 0.326 653 HB3 LEU 85 HB1 LEU 85 8.426 8.985 0.258 654 HG LEU 85 HG LEU 85 7.685 10.918 -1.951 655 HD11 LEU 85 HD11 LEU 85 9.544 11.248 0.396 656 HD12 LEU 85 HD12 LEU 85 8.024 12.105 0.153 657 HD13 LEU 85 HD13 LEU 85 9.379 12.375 -0.956 658 HD21 LEU 85 HD21 LEU 85 10.025 10.676 -2.544 659 HD22 LEU 85 HD22 LEU 85 9.212 9.098 -2.547 660 HD23 LEU 85 HD23 LEU 85 10.245 9.562 -1.186 661 H ILE 86 HN ILE 86 4.567 8.486 -0.194 662 HA ILE 86 HA ILE 86 3.346 9.296 -2.686 663 HB ILE 86 HB ILE 86 2.121 8.674 0.010 664 HG12 ILE 86 HG12 ILE 86 2.207 6.977 -2.477 665 HG13 ILE 86 HG11 ILE 86 3.310 6.759 -1.121 666 HG21 ILE 86 HG21 ILE 86 0.008 8.558 -1.264 667 HG22 ILE 86 HG22 ILE 86 0.884 9.030 -2.725 668 HG23 ILE 86 HG23 ILE 86 0.763 10.150 -1.371 669 HD11 ILE 86 HD11 ILE 86 0.314 6.481 -1.058 670 HD12 ILE 86 HD12 ILE 86 1.418 6.252 0.304 671 HD13 ILE 86 HD13 ILE 86 1.490 5.164 -1.075 672 H GLU 87 HN GLU 87 3.398 11.319 -3.027 673 HA GLU 87 HA GLU 87 3.490 13.248 -0.820 674 HB2 GLU 87 HB2 GLU 87 3.884 13.686 -3.767 675 HB3 GLU 87 HB1 GLU 87 4.312 14.776 -2.458 676 HG2 GLU 87 HG2 GLU 87 6.025 13.264 -1.711 677 HG3 GLU 87 HG1 GLU 87 5.545 12.080 -2.916 678 H THR 88 HN THR 88 1.957 14.983 -0.880 679 HA THR 88 HA THR 88 -0.139 14.631 -2.823 680 HB THR 88 HB THR 88 -1.013 13.511 -0.943 681 HG1 THR 88 HG1 THR 88 -2.733 14.651 -1.613 682 HG21 THR 88 HG21 THR 88 0.470 14.272 0.765 683 HG22 THR 88 HG22 THR 88 -1.198 14.459 1.296 684 HG23 THR 88 HG23 THR 88 -0.273 15.879 0.768 685 H GLY 89 HN GLY 89 -1.312 16.429 -3.300 686 HA2 GLY 89 HA2 GLY 89 -0.755 18.980 -2.191 687 HA3 GLY 89 HA1 GLY 89 0.013 18.739 -3.767 688 HA PRO 90 HA PRO 90 -4.313 20.311 -4.481 689 HB2 PRO 90 HB2 PRO 90 -3.641 21.634 -6.795 690 HB3 PRO 90 HB1 PRO 90 -3.580 22.367 -5.191 691 HG2 PRO 90 HG2 PRO 90 -1.371 21.174 -6.813 692 HG3 PRO 90 HG1 PRO 90 -1.368 22.659 -5.847 693 HD2 PRO 90 HD2 PRO 90 -0.248 20.410 -4.948 694 HD3 PRO 90 HD1 PRO 90 -1.112 21.502 -3.849 695 H LYS 91 HN LYS 91 -2.059 18.547 -6.405 696 HA LYS 91 HA LYS 91 -4.028 17.877 -8.422 697 HB2 LYS 91 HB2 LYS 91 -1.168 17.022 -8.083 698 HB3 LYS 91 HB1 LYS 91 -2.199 16.512 -9.408 699 HG2 LYS 91 HG2 LYS 91 -1.420 19.347 -8.789 700 HG3 LYS 91 HG1 LYS 91 -0.694 18.329 -10.037 701 HD2 LYS 91 HD2 LYS 91 -2.887 18.161 -11.137 702 HD3 LYS 91 HD1 LYS 91 -3.578 19.229 -9.909 703 HE2 LYS 91 HE2 LYS 91 -1.956 20.941 -10.537 704 HE3 LYS 91 HE1 LYS 91 -1.374 19.897 -11.836 705 HZ1 LYS 91 HZ1 LYS 91 -2.940 21.514 -12.674 706 HZ2 LYS 91 HZ2 LYS 91 -4.106 21.039 -11.578 707 HZ3 LYS 91 HZ3 LYS 91 -3.623 19.978 -12.810 708 H GLY 92 HN GLY 92 -3.280 16.729 -5.373 709 HA2 GLY 92 HA2 GLY 92 -4.639 14.954 -4.530 710 HA3 GLY 92 HA1 GLY 92 -4.369 14.102 -6.051 711 H VAL 93 HN VAL 93 -3.465 12.322 -5.127 712 HA VAL 93 HA VAL 93 -0.904 12.750 -3.754 713 HB VAL 93 HB VAL 93 -1.076 10.604 -2.696 714 HG11 VAL 93 HG11 VAL 93 -3.123 10.780 -1.371 715 HG12 VAL 93 HG12 VAL 93 -3.709 11.999 -2.500 716 HG13 VAL 93 HG13 VAL 93 -2.265 12.308 -1.540 717 HG21 VAL 93 HG21 VAL 93 -3.588 10.113 -4.295 718 HG22 VAL 93 HG22 VAL 93 -2.929 9.037 -3.062 719 HG23 VAL 93 HG23 VAL 93 -2.035 9.325 -4.558 720 H LYS 94 HN LYS 94 0.873 11.398 -4.309 721 HA LYS 94 HA LYS 94 0.794 10.016 -6.865 722 HB2 LYS 94 HB2 LYS 94 2.587 11.490 -7.745 723 HB3 LYS 94 HB1 LYS 94 1.051 12.319 -7.529 724 HG2 LYS 94 HG2 LYS 94 2.128 12.946 -5.185 725 HG3 LYS 94 HG1 LYS 94 3.629 12.684 -6.081 726 HD2 LYS 94 HD2 LYS 94 2.827 14.259 -7.810 727 HD3 LYS 94 HD1 LYS 94 1.360 14.459 -6.834 728 HE2 LYS 94 HE2 LYS 94 2.754 16.316 -6.497 729 HE3 LYS 94 HE1 LYS 94 2.659 15.365 -5.025 730 HZ1 LYS 94 HZ1 LYS 94 4.969 15.359 -6.936 731 HZ2 LYS 94 HZ2 LYS 94 4.940 14.467 -5.529 732 HZ3 LYS 94 HZ3 LYS 94 4.961 16.131 -5.463 733 H ILE 95 HN ILE 95 2.636 8.661 -7.129 734 HA ILE 95 HA ILE 95 4.147 8.270 -4.653 735 HB ILE 95 HB ILE 95 3.707 6.388 -7.000 736 HG12 ILE 95 HG12 ILE 95 2.656 6.227 -4.176 737 HG13 ILE 95 HG11 ILE 95 1.703 6.730 -5.569 738 HG21 ILE 95 HG21 ILE 95 5.139 5.898 -4.393 739 HG22 ILE 95 HG22 ILE 95 5.887 6.023 -5.987 740 HG23 ILE 95 HG23 ILE 95 4.801 4.679 -5.622 741 HD11 ILE 95 HD11 ILE 95 1.237 4.421 -4.951 742 HD12 ILE 95 HD12 ILE 95 2.943 4.016 -5.138 743 HD13 ILE 95 HD13 ILE 95 1.990 4.503 -6.542 744 H LYS 96 HN LYS 96 5.980 9.351 -4.726 745 HA LYS 96 HA LYS 96 7.311 9.878 -7.199 746 HB2 LYS 96 HB2 LYS 96 7.446 11.541 -5.468 747 HB3 LYS 96 HB1 LYS 96 8.114 10.382 -4.342 748 HG2 LYS 96 HG2 LYS 96 10.202 10.333 -5.436 749 HG3 LYS 96 HG1 LYS 96 9.554 11.131 -6.870 750 HD2 LYS 96 HD2 LYS 96 9.578 12.463 -4.176 751 HD3 LYS 96 HD1 LYS 96 10.955 12.554 -5.282 752 HE2 LYS 96 HE2 LYS 96 9.676 13.663 -6.933 753 HE3 LYS 96 HE1 LYS 96 8.161 13.281 -6.117 754 HZ1 LYS 96 HZ1 LYS 96 8.853 15.594 -5.822 755 HZ2 LYS 96 HZ2 LYS 96 10.223 15.098 -4.974 756 HZ3 LYS 96 HZ3 LYS 96 8.665 14.733 -4.407 757 H GLY 97 HN GLY 97 8.566 8.613 -8.234 758 HA2 GLY 97 HA2 GLY 97 10.609 7.231 -8.139 759 HA3 GLY 97 HA1 GLY 97 9.857 6.379 -6.797 760 H CYS 98 HN CYS 98 7.376 7.064 -8.727 761 HA CYS 98 HA CYS 98 7.039 4.457 -9.767 762 HB2 CYS 98 HB2 CYS 98 5.073 5.497 -10.864 763 HB3 CYS 98 HB1 CYS 98 5.170 5.868 -9.141 764 HG CYS 98 HG CYS 98 4.975 8.305 -9.389 765 HA PRO 99 HA PRO 99 8.994 5.110 -13.793 766 HB2 PRO 99 HB2 PRO 99 7.002 3.319 -14.994 767 HB3 PRO 99 HB1 PRO 99 8.739 3.075 -14.820 768 HG2 PRO 99 HG2 PRO 99 6.933 1.655 -13.393 769 HG3 PRO 99 HG1 PRO 99 8.528 2.077 -12.755 770 HD2 PRO 99 HD2 PRO 99 5.871 3.327 -12.208 771 HD3 PRO 99 HD1 PRO 99 7.211 2.974 -11.093 772 H SER 100 HN SER 100 5.433 4.735 -13.857 773 HA SER 100 HA SER 100 5.067 7.170 -15.281 774 HB2 SER 100 HB2 SER 100 3.934 4.494 -16.084 775 HB3 SER 100 HB1 SER 100 3.611 6.040 -16.856 776 HG SER 100 HG SER 100 5.240 5.650 -18.073 777 H GLU 101 HN GLU 101 3.110 7.967 -14.526 778 HA GLU 101 HA GLU 101 1.246 6.313 -13.080 779 HB2 GLU 101 HB2 GLU 101 3.054 6.467 -11.502 780 HB3 GLU 101 HB1 GLU 101 3.025 8.222 -11.590 781 HG2 GLU 101 HG2 GLU 101 0.699 8.113 -10.753 782 HG3 GLU 101 HG1 GLU 101 0.964 6.379 -10.529 783 HA PRO 102 HA PRO 102 -1.096 10.203 -13.631 784 HB2 PRO 102 HB2 PRO 102 -3.509 9.239 -13.062 785 HB3 PRO 102 HB1 PRO 102 -2.704 8.764 -14.561 786 HG2 PRO 102 HG2 PRO 102 -3.027 7.237 -12.012 787 HG3 PRO 102 HG1 PRO 102 -3.080 6.646 -13.677 788 HD2 PRO 102 HD2 PRO 102 -0.879 6.503 -11.962 789 HD3 PRO 102 HD1 PRO 102 -0.840 6.302 -13.724 790 H TYR 103 HN TYR 103 -2.244 11.636 -12.080 791 HA TYR 103 HA TYR 103 -1.561 11.146 -9.319 792 HB2 TYR 103 HB2 TYR 103 -3.376 13.275 -10.511 793 HB3 TYR 103 HB1 TYR 103 -2.915 13.196 -8.820 794 HD1 TYR 103 HD1 TYR 103 -1.800 13.949 -12.200 795 HD2 TYR 103 HD2 TYR 103 -0.660 14.008 -8.079 796 HE1 TYR 103 HE1 TYR 103 0.108 15.411 -12.723 797 HE2 TYR 103 HE2 TYR 103 1.212 15.433 -8.623 798 HH TYR 103 HH TYR 103 1.540 16.931 -11.691 799 H PHE 104 HN PHE 104 -2.750 10.101 -7.892 800 HA PHE 104 HA PHE 104 -5.144 8.824 -8.849 801 HB2 PHE 104 HB2 PHE 104 -3.769 8.609 -6.161 802 HB3 PHE 104 HB1 PHE 104 -5.148 7.637 -6.658 803 HD1 PHE 104 HD1 PHE 104 -4.904 5.947 -8.401 804 HD2 PHE 104 HD2 PHE 104 -1.564 8.165 -6.989 805 HE1 PHE 104 HE1 PHE 104 -3.405 4.315 -9.433 806 HE2 PHE 104 HE2 PHE 104 -0.041 6.531 -8.021 807 HZ PHE 104 HZ PHE 104 -0.960 4.599 -9.251 808 H GLY 105 HN GLY 105 -4.622 10.425 -5.755 809 HA2 GLY 105 HA2 GLY 105 -6.228 12.521 -5.673 810 HA3 GLY 105 HA1 GLY 105 -7.424 11.225 -5.699 811 H SER 106 HN SER 106 -6.671 9.356 -4.147 812 HA SER 106 HA SER 106 -5.767 10.507 -1.609 813 HB2 SER 106 HB2 SER 106 -8.075 8.563 -1.967 814 HB3 SER 106 HB1 SER 106 -7.506 9.233 -0.440 815 HG SER 106 HG SER 106 -8.160 11.263 -1.116 816 H LEU 107 HN LEU 107 -4.771 8.871 -0.211 817 HA LEU 107 HA LEU 107 -3.069 7.060 -1.438 818 HB2 LEU 107 HB2 LEU 107 -4.049 7.347 1.365 819 HB3 LEU 107 HB1 LEU 107 -3.181 5.894 0.941 820 HG LEU 107 HG LEU 107 -1.200 7.216 0.375 821 HD11 LEU 107 HD11 LEU 107 -2.795 9.599 1.249 822 HD12 LEU 107 HD12 LEU 107 -2.230 9.238 -0.398 823 HD13 LEU 107 HD13 LEU 107 -1.063 9.536 0.900 824 HD21 LEU 107 HD21 LEU 107 -1.442 6.423 2.618 825 HD22 LEU 107 HD22 LEU 107 -2.357 7.865 3.064 826 HD23 LEU 107 HD23 LEU 107 -0.656 8.003 2.614 827 H SER 108 HN SER 108 -6.205 6.415 0.068 828 HA SER 108 HA SER 108 -6.336 3.698 -0.094 829 HB2 SER 108 HB2 SER 108 -8.584 5.639 -0.545 830 HB3 SER 108 HB1 SER 108 -8.703 4.015 0.153 831 HG SER 108 HG SER 108 -7.999 4.743 2.009 832 H ALA 109 HN ALA 109 -6.744 6.034 -2.705 833 HA ALA 109 HA ALA 109 -8.093 4.309 -4.523 834 HB1 ALA 109 HB1 ALA 109 -7.633 6.031 -6.198 835 HB2 ALA 109 HB2 ALA 109 -6.519 6.822 -5.087 836 HB3 ALA 109 HB3 ALA 109 -8.241 6.754 -4.708 837 H LEU 110 HN LEU 110 -4.698 5.074 -3.926 838 HA LEU 110 HA LEU 110 -3.908 3.533 -6.222 839 HB2 LEU 110 HB2 LEU 110 -1.570 4.000 -5.539 840 HB3 LEU 110 HB1 LEU 110 -2.528 5.439 -5.754 841 HG LEU 110 HG LEU 110 -2.769 5.401 -3.186 842 HD11 LEU 110 HD11 LEU 110 -0.880 4.407 -1.975 843 HD12 LEU 110 HD12 LEU 110 -0.345 3.626 -3.468 844 HD13 LEU 110 HD13 LEU 110 -1.893 3.192 -2.754 845 HD21 LEU 110 HD21 LEU 110 -0.676 6.650 -2.938 846 HD22 LEU 110 HD22 LEU 110 -1.554 7.090 -4.400 847 HD23 LEU 110 HD23 LEU 110 -0.141 6.039 -4.503 848 H VAL 111 HN VAL 111 -4.486 3.030 -2.938 849 HA VAL 111 HA VAL 111 -3.067 0.603 -2.585 850 HB VAL 111 HB VAL 111 -5.429 1.781 -1.084 851 HG11 VAL 111 HG11 VAL 111 -4.886 0.177 0.715 852 HG12 VAL 111 HG12 VAL 111 -3.733 -0.606 -0.375 853 HG13 VAL 111 HG13 VAL 111 -5.450 -0.615 -0.756 854 HG21 VAL 111 HG21 VAL 111 -2.494 1.648 -0.422 855 HG22 VAL 111 HG22 VAL 111 -3.762 2.293 0.626 856 HG23 VAL 111 HG23 VAL 111 -3.402 3.080 -0.912 857 H SER 112 HN SER 112 -6.384 1.401 -3.532 858 HA SER 112 HA SER 112 -7.212 -1.278 -3.673 859 HB2 SER 112 HB2 SER 112 -9.145 -0.286 -4.979 860 HB3 SER 112 HB1 SER 112 -8.854 0.351 -3.358 861 HG SER 112 HG SER 112 -7.605 1.673 -5.491 862 H GLN 113 HN GLN 113 -5.380 0.646 -5.795 863 HA GLN 113 HA GLN 113 -5.833 -1.174 -8.035 864 HB2 GLN 113 HB2 GLN 113 -5.815 1.387 -8.338 865 HB3 GLN 113 HB1 GLN 113 -4.103 1.337 -7.958 866 HG2 GLN 113 HG2 GLN 113 -3.673 -0.007 -9.948 867 HG3 GLN 113 HG1 GLN 113 -5.401 -0.063 -10.303 868 HE21 GLN 113 HE21 GLN 113 -5.762 2.789 -9.614 869 HE22 GLN 113 HE22 GLN 113 -5.025 3.641 -10.905 870 H HIS 114 HN HIS 114 -3.323 -1.346 -9.156 871 HA HIS 114 HA HIS 114 -1.268 -2.136 -9.078 872 HB2 HIS 114 HB2 HIS 114 -1.312 -1.388 -6.148 873 HB3 HIS 114 HB1 HIS 114 0.087 -2.138 -6.915 874 HD1 HIS 114 HD1 HIS 114 -1.480 1.098 -6.293 875 HD2 HIS 114 HD2 HIS 114 1.152 -0.549 -9.047 876 HE1 HIS 114 HE1 HIS 114 -0.340 3.048 -7.450 877 H SER 115 HN SER 115 -3.557 -3.530 -6.893 878 HA SER 115 HA SER 115 -2.340 -6.055 -6.644 879 HB2 SER 115 HB2 SER 115 -5.294 -5.444 -6.868 880 HB3 SER 115 HB1 SER 115 -4.572 -6.856 -6.102 881 HG SER 115 HG SER 115 -3.495 -5.290 -4.696 882 H ILE 116 HN ILE 116 -4.461 -4.647 -9.039 883 HA ILE 116 HA ILE 116 -4.665 -6.965 -10.700 884 HB ILE 116 HB ILE 116 -5.264 -4.052 -11.356 885 HG12 ILE 116 HG12 ILE 116 -7.123 -6.252 -10.415 886 HG13 ILE 116 HG11 ILE 116 -6.553 -4.914 -9.428 887 HG21 ILE 116 HG21 ILE 116 -6.190 -6.569 -12.739 888 HG22 ILE 116 HG22 ILE 116 -4.994 -5.434 -13.367 889 HG23 ILE 116 HG23 ILE 116 -6.669 -4.924 -13.155 890 HD11 ILE 116 HD11 ILE 116 -8.822 -4.531 -10.207 891 HD12 ILE 116 HD12 ILE 116 -8.290 -4.696 -11.881 892 HD13 ILE 116 HD13 ILE 116 -7.718 -3.344 -10.905 893 H SER 117 HN SER 117 -3.232 -3.777 -11.402 894 HA SER 117 HA SER 117 -1.058 -5.132 -12.811 895 HB2 SER 117 HB2 SER 117 -2.408 -2.524 -13.562 896 HB3 SER 117 HB1 SER 117 -1.073 -3.290 -14.421 897 HG SER 117 HG SER 117 -2.821 -5.164 -14.368 898 HA PRO 118 HA PRO 118 1.099 -2.526 -9.841 899 HB2 PRO 118 HB2 PRO 118 3.552 -3.637 -10.162 900 HB3 PRO 118 HB1 PRO 118 2.290 -4.398 -9.193 901 HG2 PRO 118 HG2 PRO 118 3.237 -5.071 -11.931 902 HG3 PRO 118 HG1 PRO 118 2.626 -6.138 -10.659 903 HD2 PRO 118 HD2 PRO 118 1.176 -5.242 -12.863 904 HD3 PRO 118 HD1 PRO 118 0.482 -5.923 -11.379 905 H ILE 119 HN ILE 119 1.072 -0.562 -10.839 906 HA ILE 119 HA ILE 119 2.761 -0.138 -13.167 907 HB ILE 119 HB ILE 119 0.850 1.810 -11.837 908 HG12 ILE 119 HG12 ILE 119 0.445 0.103 -14.310 909 HG13 ILE 119 HG11 ILE 119 -0.313 -0.188 -12.748 910 HG21 ILE 119 HG21 ILE 119 1.032 3.055 -13.933 911 HG22 ILE 119 HG22 ILE 119 2.190 1.874 -14.544 912 HG23 ILE 119 HG23 ILE 119 2.611 2.888 -13.162 913 HD11 ILE 119 HD11 ILE 119 -0.718 2.238 -14.485 914 HD12 ILE 119 HD12 ILE 119 -1.491 1.945 -12.930 915 HD13 ILE 119 HD13 ILE 119 -1.848 0.894 -14.302 916 H SER 120 HN SER 120 2.113 1.919 -10.265 917 HA SER 120 HA SER 120 4.628 3.152 -10.386 918 HB2 SER 120 HB2 SER 120 2.656 3.003 -8.114 919 HB3 SER 120 HB1 SER 120 3.880 4.248 -8.375 920 HG SER 120 HG SER 120 2.245 5.173 -9.253 921 H LEU 121 HN LEU 121 3.342 0.399 -8.774 922 HA LEU 121 HA LEU 121 5.759 0.093 -7.174 923 HB2 LEU 121 HB2 LEU 121 3.129 -1.380 -7.039 924 HB3 LEU 121 HB1 LEU 121 4.476 -1.610 -5.943 925 HG LEU 121 HG LEU 121 2.851 0.918 -6.228 926 HD11 LEU 121 HD11 LEU 121 1.629 -0.867 -5.141 927 HD12 LEU 121 HD12 LEU 121 2.068 0.394 -3.986 928 HD13 LEU 121 HD13 LEU 121 2.979 -1.116 -4.032 929 HD21 LEU 121 HD21 LEU 121 4.102 1.698 -4.278 930 HD22 LEU 121 HD22 LEU 121 5.161 1.425 -5.657 931 HD23 LEU 121 HD23 LEU 121 5.109 0.253 -4.338 932 HA PRO 122 HA PRO 122 7.063 -3.037 -10.004 933 HB2 PRO 122 HB2 PRO 122 8.664 -4.458 -8.114 934 HB3 PRO 122 HB1 PRO 122 9.188 -3.246 -9.276 935 HG2 PRO 122 HG2 PRO 122 9.115 -2.960 -6.492 936 HG3 PRO 122 HG1 PRO 122 9.335 -1.653 -7.668 937 HD2 PRO 122 HD2 PRO 122 6.954 -2.452 -6.105 938 HD3 PRO 122 HD1 PRO 122 7.400 -0.870 -6.776 939 H CYS 123 HN CYS 123 5.766 -4.095 -6.953 940 HA CYS 123 HA CYS 123 5.130 -6.679 -8.183 941 HB2 CYS 123 HB2 CYS 123 5.524 -6.049 -5.253 942 HB3 CYS 123 HB1 CYS 123 5.036 -7.613 -5.891 943 HG CYS 123 HG CYS 123 7.447 -7.741 -7.477 944 H CYS 124 HN CYS 124 3.091 -7.615 -7.692 945 HA CYS 124 HA CYS 124 0.919 -5.854 -7.768 946 HB2 CYS 124 HB2 CYS 124 0.959 -8.800 -7.067 947 HB3 CYS 124 HB1 CYS 124 -0.459 -7.877 -7.553 948 HG CYS 124 HG CYS 124 1.196 -9.660 -9.471 949 H LEU 125 HN LEU 125 -0.085 -4.858 -6.248 950 HA LEU 125 HA LEU 125 0.917 -4.881 -3.580 951 HB2 LEU 125 HB2 LEU 125 0.179 -2.879 -4.856 952 HB3 LEU 125 HB1 LEU 125 -1.472 -3.427 -4.676 953 HG LEU 125 HG LEU 125 -1.194 -3.244 -2.205 954 HD11 LEU 125 HD11 LEU 125 1.212 -3.478 -2.095 955 HD12 LEU 125 HD12 LEU 125 0.709 -1.944 -1.387 956 HD13 LEU 125 HD13 LEU 125 1.415 -1.977 -2.998 957 HD21 LEU 125 HD21 LEU 125 -2.249 -1.455 -3.487 958 HD22 LEU 125 HD22 LEU 125 -0.667 -0.737 -3.799 959 HD23 LEU 125 HD23 LEU 125 -1.298 -0.805 -2.152 960 H ARG 126 HN ARG 126 0.079 -5.780 -1.780 961 HA ARG 126 HA ARG 126 -2.570 -7.021 -1.971 962 HB2 ARG 126 HB2 ARG 126 -0.197 -7.926 -0.324 963 HB3 ARG 126 HB1 ARG 126 -1.782 -8.685 -0.309 964 HG2 ARG 126 HG2 ARG 126 0.187 -8.606 -2.598 965 HG3 ARG 126 HG1 ARG 126 -0.282 -10.013 -1.645 966 HD2 ARG 126 HD2 ARG 126 -2.059 -8.424 -3.502 967 HD3 ARG 126 HD1 ARG 126 -1.398 -10.022 -3.815 968 HE ARG 126 HE ARG 126 -2.712 -10.579 -1.655 969 HH11 ARG 126 HH11 ARG 126 -3.778 -8.593 -4.385 970 HH12 ARG 126 HH12 ARG 126 -5.443 -8.798 -4.079 971 HH21 ARG 126 HH21 ARG 126 -5.018 -10.893 -1.234 972 HH22 ARG 126 HH22 ARG 126 -6.147 -10.126 -2.270 973 H ILE 127 HN ILE 127 -4.008 -6.422 -0.486 974 HA ILE 127 HA ILE 127 -3.234 -4.242 1.291 975 HB ILE 127 HB ILE 127 -6.016 -5.195 0.468 976 HG12 ILE 127 HG12 ILE 127 -6.105 -2.925 -0.731 977 HG13 ILE 127 HG11 ILE 127 -4.363 -2.876 -0.538 978 HG21 ILE 127 HG21 ILE 127 -5.242 -2.716 1.989 979 HG22 ILE 127 HG22 ILE 127 -6.066 -4.135 2.637 980 HG23 ILE 127 HG23 ILE 127 -6.867 -3.126 1.435 981 HD11 ILE 127 HD11 ILE 127 -5.907 -4.968 -2.048 982 HD12 ILE 127 HD12 ILE 127 -4.149 -4.869 -1.914 983 HD13 ILE 127 HD13 ILE 127 -5.049 -3.603 -2.754 984 HA PRO 128 HA PRO 128 -3.270 -6.965 4.867 985 HB2 PRO 128 HB2 PRO 128 -4.090 -5.019 6.704 986 HB3 PRO 128 HB1 PRO 128 -2.425 -5.392 6.259 987 HG2 PRO 128 HG2 PRO 128 -4.206 -3.219 5.255 988 HG3 PRO 128 HG1 PRO 128 -2.468 -3.179 5.596 989 HD2 PRO 128 HD2 PRO 128 -3.384 -3.306 3.105 990 HD3 PRO 128 HD1 PRO 128 -1.929 -4.208 3.582 991 H SER 129 HN SER 129 -5.923 -4.791 4.248 992 HA SER 129 HA SER 129 -7.930 -5.888 5.845 993 HB2 SER 129 HB2 SER 129 -8.317 -4.614 3.136 994 HB3 SER 129 HB1 SER 129 -9.431 -4.603 4.506 995 HG SER 129 HG SER 129 -8.120 -2.649 4.212 996 H LYS 130 HN LYS 130 -6.659 -6.936 2.724 997 HA LYS 130 HA LYS 130 -7.964 -9.441 2.995 998 HB2 LYS 130 HB2 LYS 130 -9.682 -8.120 1.707 999 HB3 LYS 130 HB1 LYS 130 -8.479 -7.859 0.450 1000 HG2 LYS 130 HG2 LYS 130 -9.230 -10.641 1.303 1001 HG3 LYS 130 HG1 LYS 130 -10.220 -9.763 0.146 1002 HD2 LYS 130 HD2 LYS 130 -8.488 -9.716 -1.452 1003 HD3 LYS 130 HD1 LYS 130 -7.273 -10.107 -0.228 1004 HE2 LYS 130 HE2 LYS 130 -9.474 -11.996 -0.915 1005 HE3 LYS 130 HE1 LYS 130 -7.967 -11.968 -1.849 1006 HZ1 LYS 130 HZ1 LYS 130 -6.779 -12.401 0.230 1007 HZ2 LYS 130 HZ2 LYS 130 -7.835 -13.619 -0.170 1008 HZ3 LYS 130 HZ3 LYS 130 -8.249 -12.549 1.070 1009 H ASP 131 HN ASP 131 -6.110 -10.237 3.259 1010 HA ASP 131 HA ASP 131 -4.000 -9.882 1.275 1011 HB2 ASP 131 HB2 ASP 131 -3.583 -9.818 3.795 1012 HB3 ASP 131 HB1 ASP 131 -4.016 -11.518 3.826 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -21.126 -11.943 23.887 2 H2 MET 1 HT2 MET 1 -19.626 -12.706 23.787 3 H3 MET 1 HT3 MET 1 -20.965 -13.323 22.950 4 HA MET 1 HA MET 1 -19.743 -10.698 22.421 5 HB2 MET 1 HB2 MET 1 -19.719 -13.262 20.798 6 HB3 MET 1 HB1 MET 1 -19.141 -11.712 20.220 7 HG2 MET 1 HG2 MET 1 -17.380 -11.735 21.904 8 HG3 MET 1 HG1 MET 1 -17.970 -13.281 22.510 9 HE1 MET 1 HE1 MET 1 -17.261 -15.666 19.457 10 HE2 MET 1 HE2 MET 1 -18.756 -14.783 19.738 11 HE3 MET 1 HE3 MET 1 -17.915 -15.549 21.090 12 H HIS 2 HN HIS 2 -20.564 -10.206 19.999 13 HA HIS 2 HA HIS 2 -23.466 -10.333 20.107 14 HB2 HIS 2 HB2 HIS 2 -23.433 -8.851 18.119 15 HB3 HIS 2 HB1 HIS 2 -22.446 -8.184 19.410 16 HD1 HIS 2 HD1 HIS 2 -22.247 -9.386 15.858 17 HD2 HIS 2 HD2 HIS 2 -19.672 -8.235 18.915 18 HE1 HIS 2 HE1 HIS 2 -19.991 -9.075 14.805 19 H HIS 3 HN HIS 3 -24.751 -11.330 18.505 20 HA HIS 3 HA HIS 3 -23.323 -13.451 17.123 21 HB2 HIS 3 HB2 HIS 3 -25.507 -14.583 16.865 22 HB3 HIS 3 HB1 HIS 3 -25.181 -14.231 18.554 23 HD1 HIS 3 HD1 HIS 3 -27.638 -13.667 15.832 24 HD2 HIS 3 HD2 HIS 3 -26.856 -12.157 19.626 25 HE1 HIS 3 HE1 HIS 3 -29.702 -12.432 16.520 26 H HIS 4 HN HIS 4 -22.818 -13.159 15.139 27 HA HIS 4 HA HIS 4 -22.861 -12.688 12.955 28 HB2 HIS 4 HB2 HIS 4 -25.117 -13.548 12.797 29 HB3 HIS 4 HB1 HIS 4 -25.781 -12.059 13.438 30 HD1 HIS 4 HD1 HIS 4 -24.813 -13.699 10.227 31 HD2 HIS 4 HD2 HIS 4 -25.813 -9.897 11.582 32 HE1 HIS 4 HE1 HIS 4 -25.357 -12.351 8.187 33 H HIS 5 HN HIS 5 -22.223 -11.139 11.682 34 HA HIS 5 HA HIS 5 -23.213 -8.561 11.583 35 HB2 HIS 5 HB2 HIS 5 -21.784 -8.159 13.615 36 HB3 HIS 5 HB1 HIS 5 -20.379 -8.689 12.690 37 HD1 HIS 5 HD1 HIS 5 -22.842 -5.828 12.908 38 HD2 HIS 5 HD2 HIS 5 -19.317 -6.819 10.950 39 HE1 HIS 5 HE1 HIS 5 -22.055 -3.717 11.757 40 H HIS 6 HN HIS 6 -23.445 -9.231 9.535 41 HA HIS 6 HA HIS 6 -20.955 -9.529 8.020 42 HB2 HIS 6 HB2 HIS 6 -22.368 -11.521 7.927 43 HB3 HIS 6 HB1 HIS 6 -23.746 -10.553 7.432 44 HD1 HIS 6 HD1 HIS 6 -24.213 -11.168 5.063 45 HD2 HIS 6 HD2 HIS 6 -20.143 -10.807 5.824 46 HE1 HIS 6 HE1 HIS 6 -23.047 -11.575 2.870 47 H HIS 7 HN HIS 7 -20.485 -7.947 6.678 48 HA HIS 7 HA HIS 7 -21.633 -5.473 6.629 49 HB2 HIS 7 HB2 HIS 7 -19.378 -6.067 5.733 50 HB3 HIS 7 HB1 HIS 7 -20.150 -6.753 4.317 51 HD1 HIS 7 HD1 HIS 7 -18.503 -3.724 5.348 52 HD2 HIS 7 HD2 HIS 7 -21.767 -4.596 2.913 53 HE1 HIS 7 HE1 HIS 7 -18.818 -1.736 3.859 54 H SER 8 HN SER 8 -22.124 -7.979 4.119 55 HA SER 8 HA SER 8 -23.897 -6.450 2.598 56 HB2 SER 8 HB2 SER 8 -23.662 -9.435 2.663 57 HB3 SER 8 HB1 SER 8 -24.096 -8.399 1.298 58 HG SER 8 HG SER 8 -22.064 -7.756 1.085 59 H SER 9 HN SER 9 -24.440 -8.229 5.520 60 HA SER 9 HA SER 9 -27.292 -8.500 4.910 61 HB2 SER 9 HB2 SER 9 -25.686 -9.748 7.136 62 HB3 SER 9 HB1 SER 9 -27.342 -10.142 6.670 63 HG SER 9 HG SER 9 -26.642 -11.032 4.815 64 H GLY 10 HN GLY 10 -25.389 -6.262 6.106 65 HA2 GLY 10 HA2 GLY 10 -27.395 -5.444 8.094 66 HA3 GLY 10 HA1 GLY 10 -25.684 -5.336 8.483 67 H LEU 11 HN LEU 11 -24.983 -4.537 5.740 68 HA LEU 11 HA LEU 11 -24.453 -2.683 4.662 69 HB2 LEU 11 HB2 LEU 11 -26.870 -2.824 3.991 70 HB3 LEU 11 HB1 LEU 11 -27.278 -1.783 5.333 71 HG LEU 11 HG LEU 11 -25.975 0.046 4.296 72 HD11 LEU 11 HD11 LEU 11 -25.223 -0.165 1.974 73 HD12 LEU 11 HD12 LEU 11 -25.605 -1.888 2.013 74 HD13 LEU 11 HD13 LEU 11 -24.346 -1.237 3.061 75 HD21 LEU 11 HD21 LEU 11 -28.363 -0.116 3.865 76 HD22 LEU 11 HD22 LEU 11 -28.054 -1.177 2.488 77 HD23 LEU 11 HD23 LEU 11 -27.513 0.500 2.450 78 H VAL 12 HN VAL 12 -23.520 -2.868 7.080 79 HA VAL 12 HA VAL 12 -23.632 -0.152 8.174 80 HB VAL 12 HB VAL 12 -22.900 -2.686 9.674 81 HG11 VAL 12 HG11 VAL 12 -22.984 -1.260 11.679 82 HG12 VAL 12 HG12 VAL 12 -23.239 0.147 10.645 83 HG13 VAL 12 HG13 VAL 12 -21.734 -0.763 10.539 84 HG21 VAL 12 HG21 VAL 12 -25.420 -1.032 9.859 85 HG22 VAL 12 HG22 VAL 12 -24.998 -2.377 10.923 86 HG23 VAL 12 HG23 VAL 12 -25.292 -2.665 9.206 87 HA PRO 13 HA PRO 13 -19.316 -0.688 7.002 88 HB2 PRO 13 HB2 PRO 13 -19.181 1.731 5.643 89 HB3 PRO 13 HB1 PRO 13 -19.517 0.172 4.891 90 HG2 PRO 13 HG2 PRO 13 -21.304 2.382 5.146 91 HG3 PRO 13 HG1 PRO 13 -21.671 0.771 4.515 92 HD2 PRO 13 HD2 PRO 13 -22.171 1.895 7.223 93 HD3 PRO 13 HD1 PRO 13 -23.054 0.634 6.330 94 H ARG 14 HN ARG 14 -18.810 -0.371 9.190 95 HA ARG 14 HA ARG 14 -18.668 2.374 10.183 96 HB2 ARG 14 HB2 ARG 14 -19.292 0.310 11.643 97 HB3 ARG 14 HB1 ARG 14 -17.599 -0.130 11.543 98 HG2 ARG 14 HG2 ARG 14 -18.674 2.424 12.764 99 HG3 ARG 14 HG1 ARG 14 -18.189 0.995 13.660 100 HD2 ARG 14 HD2 ARG 14 -15.884 1.284 12.889 101 HD3 ARG 14 HD1 ARG 14 -16.371 2.679 11.929 102 HE ARG 14 HE ARG 14 -16.928 2.788 14.764 103 HH11 ARG 14 HH11 ARG 14 -14.759 3.825 12.121 104 HH12 ARG 14 HH12 ARG 14 -14.022 5.049 13.021 105 HH21 ARG 14 HH21 ARG 14 -15.885 4.473 15.994 106 HH22 ARG 14 HH22 ARG 14 -14.662 5.428 15.263 107 H GLY 15 HN GLY 15 -16.574 -0.410 9.765 108 HA2 GLY 15 HA2 GLY 15 -14.317 1.348 9.303 109 HA3 GLY 15 HA1 GLY 15 -14.261 -0.408 9.506 110 H SER 16 HN SER 16 -14.784 -1.766 7.829 111 HA SER 16 HA SER 16 -14.696 -2.510 5.713 112 HB2 SER 16 HB2 SER 16 -16.252 0.013 5.248 113 HB3 SER 16 HB1 SER 16 -16.207 -1.371 4.132 114 HG SER 16 HG SER 16 -16.864 -1.907 6.768 115 H ASP 17 HN ASP 17 -12.640 -0.695 6.712 116 HA ASP 17 HA ASP 17 -11.625 0.461 4.212 117 HB2 ASP 17 HB2 ASP 17 -10.629 2.222 5.455 118 HB3 ASP 17 HB1 ASP 17 -12.267 2.080 6.082 119 H THR 18 HN THR 18 -9.366 0.316 3.990 120 HA THR 18 HA THR 18 -8.312 -1.865 5.547 121 HB THR 18 HB THR 18 -6.723 -2.164 3.599 122 HG1 THR 18 HG1 THR 18 -8.564 -0.758 2.052 123 HG21 THR 18 HG21 THR 18 -8.444 -3.254 2.187 124 HG22 THR 18 HG22 THR 18 -9.692 -2.377 3.081 125 HG23 THR 18 HG23 THR 18 -8.700 -3.576 3.905 126 H SER 19 HN SER 19 -8.229 1.327 5.295 127 HA SER 19 HA SER 19 -5.592 2.062 5.074 128 HB2 SER 19 HB2 SER 19 -6.239 4.212 6.195 129 HB3 SER 19 HB1 SER 19 -7.211 3.749 4.803 130 HG SER 19 HG SER 19 -8.522 2.752 6.895 131 H LYS 20 HN LYS 20 -7.259 1.426 8.174 132 HA LYS 20 HA LYS 20 -4.889 2.077 9.605 133 HB2 LYS 20 HB2 LYS 20 -5.928 1.395 11.636 134 HB3 LYS 20 HB1 LYS 20 -7.162 2.156 10.657 135 HG2 LYS 20 HG2 LYS 20 -6.827 -0.829 10.951 136 HG3 LYS 20 HG1 LYS 20 -7.920 0.154 11.920 137 HD2 LYS 20 HD2 LYS 20 -9.087 0.818 9.850 138 HD3 LYS 20 HD1 LYS 20 -8.010 -0.239 8.936 139 HE2 LYS 20 HE2 LYS 20 -8.793 -2.152 10.139 140 HE3 LYS 20 HE1 LYS 20 -9.817 -1.141 11.165 141 HZ1 LYS 20 HZ1 LYS 20 -10.153 -1.624 8.230 142 HZ2 LYS 20 HZ2 LYS 20 -10.979 -0.468 9.063 143 HZ3 LYS 20 HZ3 LYS 20 -11.191 -2.091 9.478 144 H PHE 21 HN PHE 21 -5.523 -0.619 7.766 145 HA PHE 21 HA PHE 21 -3.973 -2.438 9.379 146 HB2 PHE 21 HB2 PHE 21 -5.122 -2.715 6.602 147 HB3 PHE 21 HB1 PHE 21 -4.100 -3.944 7.316 148 HD1 PHE 21 HD2 PHE 21 -4.910 -4.975 9.536 149 HD2 PHE 21 HD1 PHE 21 -7.387 -2.715 6.943 150 HE1 PHE 21 HE2 PHE 21 -6.900 -6.013 10.549 151 HE2 PHE 21 HE1 PHE 21 -9.394 -3.751 7.942 152 HZ PHE 21 HZ PHE 21 -9.144 -5.402 9.747 153 H TRP 22 HN TRP 22 -3.454 -0.140 6.855 154 HA TRP 22 HA TRP 22 -0.712 -1.093 6.712 155 HB2 TRP 22 HB2 TRP 22 -0.606 -0.100 4.356 156 HB3 TRP 22 HB1 TRP 22 -1.469 -1.610 4.574 157 HD1 TRP 22 HD1 TRP 22 -3.878 -1.691 3.668 158 HE1 TRP 22 HE1 TRP 22 -5.481 -0.005 2.579 159 HE3 TRP 22 HE3 TRP 22 -1.241 2.631 4.504 160 HZ2 TRP 22 HZ2 TRP 22 -5.613 2.786 2.120 161 HZ3 TRP 22 HZ3 TRP 22 -2.190 4.747 3.704 162 HH2 TRP 22 HH2 TRP 22 -4.322 4.817 2.545 163 H TYR 23 HN TYR 23 -2.626 1.685 7.349 164 HA TYR 23 HA TYR 23 -0.331 3.384 6.902 165 HB2 TYR 23 HB2 TYR 23 -2.636 4.119 6.240 166 HB3 TYR 23 HB1 TYR 23 -3.051 4.193 7.948 167 HD1 TYR 23 HD1 TYR 23 -0.792 5.583 5.379 168 HD2 TYR 23 HD2 TYR 23 -2.474 6.094 9.242 169 HE1 TYR 23 HE1 TYR 23 0.135 7.832 5.467 170 HE2 TYR 23 HE2 TYR 23 -1.556 8.366 9.349 171 HH TYR 23 HH TYR 23 -0.347 9.975 6.670 172 H LYS 24 HN LYS 24 1.141 3.502 8.339 173 HA LYS 24 HA LYS 24 0.414 3.848 11.158 174 HB2 LYS 24 HB2 LYS 24 2.918 2.389 10.205 175 HB3 LYS 24 HB1 LYS 24 2.528 2.754 11.871 176 HG2 LYS 24 HG2 LYS 24 2.071 0.512 11.664 177 HG3 LYS 24 HG1 LYS 24 0.479 1.262 11.518 178 HD2 LYS 24 HD2 LYS 24 0.686 1.111 9.048 179 HD3 LYS 24 HD1 LYS 24 2.229 0.286 9.255 180 HE2 LYS 24 HE2 LYS 24 -0.479 -0.703 10.162 181 HE3 LYS 24 HE1 LYS 24 0.454 -1.308 8.803 182 HZ1 LYS 24 HZ1 LYS 24 0.648 -2.736 10.680 183 HZ2 LYS 24 HZ2 LYS 24 1.171 -1.487 11.662 184 HZ3 LYS 24 HZ3 LYS 24 2.164 -2.039 10.400 185 HA PRO 25 HA PRO 25 2.224 7.558 9.289 186 HB2 PRO 25 HB2 PRO 25 1.746 9.216 11.437 187 HB3 PRO 25 HB1 PRO 25 0.591 8.860 10.150 188 HG2 PRO 25 HG2 PRO 25 0.825 7.654 12.873 189 HG3 PRO 25 HG1 PRO 25 -0.632 8.120 11.978 190 HD2 PRO 25 HD2 PRO 25 0.137 5.569 12.156 191 HD3 PRO 25 HD1 PRO 25 -0.588 6.203 10.665 192 H HIS 26 HN HIS 26 3.069 6.694 12.649 193 HA HIS 26 HA HIS 26 5.480 8.331 12.303 194 HB2 HIS 26 HB2 HIS 26 3.803 8.900 14.122 195 HB3 HIS 26 HB1 HIS 26 4.268 7.400 14.909 196 HD1 HIS 26 HD1 HIS 26 5.658 8.069 16.877 197 HD2 HIS 26 HD2 HIS 26 6.572 10.278 13.491 198 HE1 HIS 26 HE1 HIS 26 7.526 9.633 17.543 199 H LEU 27 HN LEU 27 4.874 5.362 11.636 200 HA LEU 27 HA LEU 27 6.719 3.954 13.293 201 HB2 LEU 27 HB2 LEU 27 4.761 3.004 11.896 202 HB3 LEU 27 HB1 LEU 27 5.850 3.128 10.530 203 HG LEU 27 HG LEU 27 7.429 1.605 11.699 204 HD11 LEU 27 HD11 LEU 27 6.774 2.017 13.994 205 HD12 LEU 27 HD12 LEU 27 6.574 0.307 13.619 206 HD13 LEU 27 HD13 LEU 27 5.170 1.367 13.680 207 HD21 LEU 27 HD21 LEU 27 5.857 0.749 10.056 208 HD22 LEU 27 HD22 LEU 27 4.642 0.535 11.317 209 HD23 LEU 27 HD23 LEU 27 6.125 -0.424 11.346 210 H SER 28 HN SER 28 8.900 3.289 12.662 211 HA SER 28 HA SER 28 10.086 5.327 10.996 212 HB2 SER 28 HB2 SER 28 12.198 4.652 12.100 213 HB3 SER 28 HB1 SER 28 10.936 5.057 13.269 214 HG SER 28 HG SER 28 12.321 2.820 12.988 215 H ARG 29 HN ARG 29 12.032 4.569 9.673 216 HA ARG 29 HA ARG 29 11.151 2.884 7.632 217 HB2 ARG 29 HB2 ARG 29 12.954 4.583 7.410 218 HB3 ARG 29 HB1 ARG 29 14.021 3.517 8.316 219 HG2 ARG 29 HG2 ARG 29 13.676 1.791 6.554 220 HG3 ARG 29 HG1 ARG 29 12.797 2.991 5.614 221 HD2 ARG 29 HD2 ARG 29 15.041 2.950 4.822 222 HD3 ARG 29 HD1 ARG 29 14.827 4.443 5.731 223 HE ARG 29 HE ARG 29 16.069 2.054 6.913 224 HH11 ARG 29 HH11 ARG 29 16.162 5.547 6.278 225 HH12 ARG 29 HH12 ARG 29 17.629 5.777 7.110 226 HH21 ARG 29 HH21 ARG 29 18.028 2.398 8.046 227 HH22 ARG 29 HH22 ARG 29 18.717 3.963 8.152 228 H ASP 30 HN ASP 30 13.473 2.229 10.227 229 HA ASP 30 HA ASP 30 14.103 -0.411 9.499 230 HB2 ASP 30 HB2 ASP 30 15.026 -0.658 11.761 231 HB3 ASP 30 HB1 ASP 30 15.492 0.885 11.061 232 H GLN 31 HN GLN 31 11.532 0.889 11.410 233 HA GLN 31 HA GLN 31 10.618 -1.620 12.439 234 HB2 GLN 31 HB2 GLN 31 9.458 1.137 12.352 235 HB3 GLN 31 HB1 GLN 31 8.596 -0.187 13.108 236 HG2 GLN 31 HG2 GLN 31 11.335 0.763 13.848 237 HG3 GLN 31 HG1 GLN 31 9.855 1.219 14.688 238 HE21 GLN 31 HE21 GLN 31 8.863 -0.279 15.963 239 HE22 GLN 31 HE22 GLN 31 9.618 -1.748 16.481 240 H ALA 32 HN ALA 32 9.922 0.366 9.687 241 HA ALA 32 HA ALA 32 7.596 -0.988 8.813 242 HB1 ALA 32 HB1 ALA 32 8.016 0.155 6.673 243 HB2 ALA 32 HB2 ALA 32 9.647 0.556 7.222 244 HB3 ALA 32 HB3 ALA 32 8.251 1.260 8.038 245 H ILE 33 HN ILE 33 11.010 -1.290 8.123 246 HA ILE 33 HA ILE 33 10.866 -3.448 6.295 247 HB ILE 33 HB ILE 33 13.138 -2.624 8.135 248 HG12 ILE 33 HG12 ILE 33 12.732 -1.950 5.223 249 HG13 ILE 33 HG11 ILE 33 12.227 -0.892 6.535 250 HG21 ILE 33 HG21 ILE 33 13.452 -4.910 7.274 251 HG22 ILE 33 HG22 ILE 33 14.608 -3.797 6.544 252 HG23 ILE 33 HG23 ILE 33 13.200 -4.329 5.628 253 HD11 ILE 33 HD11 ILE 33 14.350 -0.203 5.626 254 HD12 ILE 33 HD12 ILE 33 15.028 -1.806 5.970 255 HD13 ILE 33 HD13 ILE 33 14.507 -0.754 7.296 256 H ALA 34 HN ALA 34 11.305 -3.252 9.783 257 HA ALA 34 HA ALA 34 11.637 -5.941 10.463 258 HB1 ALA 34 HB1 ALA 34 10.850 -5.353 12.657 259 HB2 ALA 34 HB2 ALA 34 10.041 -3.937 12.019 260 HB3 ALA 34 HB3 ALA 34 11.815 -3.999 12.038 261 H LEU 35 HN LEU 35 8.780 -4.134 9.735 262 HA LEU 35 HA LEU 35 6.905 -6.130 10.542 263 HB2 LEU 35 HB2 LEU 35 6.744 -3.505 10.216 264 HB3 LEU 35 HB1 LEU 35 6.342 -3.939 8.576 265 HG LEU 35 HG LEU 35 4.349 -3.448 9.858 266 HD11 LEU 35 HD11 LEU 35 3.031 -5.456 9.481 267 HD12 LEU 35 HD12 LEU 35 4.512 -6.387 9.256 268 HD13 LEU 35 HD13 LEU 35 4.097 -5.103 8.121 269 HD21 LEU 35 HD21 LEU 35 3.668 -4.767 11.778 270 HD22 LEU 35 HD22 LEU 35 5.238 -3.993 12.062 271 HD23 LEU 35 HD23 LEU 35 5.163 -5.703 11.680 272 H LEU 36 HN LEU 36 8.168 -4.901 7.483 273 HA LEU 36 HA LEU 36 6.670 -6.628 5.839 274 HB2 LEU 36 HB2 LEU 36 9.035 -4.921 5.304 275 HB3 LEU 36 HB1 LEU 36 8.260 -5.859 4.055 276 HG LEU 36 HG LEU 36 7.044 -3.616 5.669 277 HD11 LEU 36 HD11 LEU 36 8.568 -2.871 3.985 278 HD12 LEU 36 HD12 LEU 36 6.911 -2.494 3.512 279 HD13 LEU 36 HD13 LEU 36 7.758 -3.848 2.763 280 HD21 LEU 36 HD21 LEU 36 5.772 -5.346 3.542 281 HD22 LEU 36 HD22 LEU 36 5.095 -3.858 4.187 282 HD23 LEU 36 HD23 LEU 36 5.300 -5.248 5.246 283 H LYS 37 HN LYS 37 9.888 -7.014 7.186 284 HA LYS 37 HA LYS 37 10.725 -9.062 5.430 285 HB2 LYS 37 HB2 LYS 37 12.429 -9.641 7.097 286 HB3 LYS 37 HB1 LYS 37 12.313 -7.905 6.876 287 HG2 LYS 37 HG2 LYS 37 11.106 -7.674 8.958 288 HG3 LYS 37 HG1 LYS 37 11.064 -9.423 9.159 289 HD2 LYS 37 HD2 LYS 37 12.807 -8.432 10.564 290 HD3 LYS 37 HD1 LYS 37 13.512 -9.467 9.326 291 HE2 LYS 37 HE2 LYS 37 14.077 -7.504 7.986 292 HE3 LYS 37 HE1 LYS 37 13.315 -6.454 9.179 293 HZ1 LYS 37 HZ1 LYS 37 14.957 -7.202 10.797 294 HZ2 LYS 37 HZ2 LYS 37 15.706 -6.500 9.480 295 HZ3 LYS 37 HZ3 LYS 37 15.707 -8.169 9.647 296 H ASP 38 HN ASP 38 8.493 -9.085 7.967 297 HA ASP 38 HA ASP 38 8.552 -11.962 8.380 298 HB2 ASP 38 HB2 ASP 38 8.230 -10.517 10.324 299 HB3 ASP 38 HB1 ASP 38 6.840 -9.758 9.563 300 H LYS 39 HN LYS 39 7.222 -9.853 6.193 301 HA LYS 39 HA LYS 39 4.744 -11.375 5.922 302 HB2 LYS 39 HB2 LYS 39 5.438 -8.598 4.975 303 HB3 LYS 39 HB1 LYS 39 3.914 -9.405 4.647 304 HG2 LYS 39 HG2 LYS 39 4.813 -9.078 7.481 305 HG3 LYS 39 HG1 LYS 39 4.137 -7.698 6.631 306 HD2 LYS 39 HD2 LYS 39 2.426 -8.850 7.960 307 HD3 LYS 39 HD1 LYS 39 2.056 -8.933 6.251 308 HE2 LYS 39 HE2 LYS 39 1.551 -11.026 7.385 309 HE3 LYS 39 HE1 LYS 39 2.814 -11.258 6.190 310 HZ1 LYS 39 HZ1 LYS 39 3.167 -12.423 8.287 311 HZ2 LYS 39 HZ2 LYS 39 3.300 -10.995 9.140 312 HZ3 LYS 39 HZ3 LYS 39 4.449 -11.413 7.983 313 H ASP 40 HN ASP 40 3.973 -11.010 3.434 314 HA ASP 40 HA ASP 40 5.981 -12.473 1.906 315 HB2 ASP 40 HB2 ASP 40 2.977 -12.224 1.551 316 HB3 ASP 40 HB1 ASP 40 4.026 -13.127 0.468 317 HA PRO 41 HA PRO 41 6.576 -9.241 -1.111 318 HB2 PRO 41 HB2 PRO 41 5.813 -11.176 -3.237 319 HB3 PRO 41 HB1 PRO 41 7.288 -10.219 -3.073 320 HG2 PRO 41 HG2 PRO 41 7.317 -12.822 -2.583 321 HG3 PRO 41 HG1 PRO 41 8.240 -11.703 -1.559 322 HD2 PRO 41 HD2 PRO 41 5.623 -13.048 -1.030 323 HD3 PRO 41 HD1 PRO 41 6.989 -12.766 0.073 324 H GLY 42 HN GLY 42 5.230 -7.670 -1.557 325 HA2 GLY 42 HA2 GLY 42 3.401 -6.917 -3.000 326 HA3 GLY 42 HA1 GLY 42 2.503 -8.331 -2.451 327 H ALA 43 HN ALA 43 3.733 -7.931 0.258 328 HA ALA 43 HA ALA 43 1.607 -6.384 1.355 329 HB1 ALA 43 HB1 ALA 43 2.658 -6.829 3.519 330 HB2 ALA 43 HB2 ALA 43 4.093 -7.447 2.703 331 HB3 ALA 43 HB3 ALA 43 2.556 -8.303 2.555 332 H PHE 44 HN PHE 44 1.778 -4.418 2.540 333 HA PHE 44 HA PHE 44 4.142 -2.808 2.169 334 HB2 PHE 44 HB2 PHE 44 2.999 -1.112 0.922 335 HB3 PHE 44 HB1 PHE 44 2.943 -2.618 0.021 336 HD1 PHE 44 HD2 PHE 44 0.801 -3.922 -0.031 337 HD2 PHE 44 HD1 PHE 44 1.008 0.006 1.583 338 HE1 PHE 44 HE2 PHE 44 -1.621 -3.713 -0.226 339 HE2 PHE 44 HE1 PHE 44 -1.429 0.215 1.395 340 HZ PHE 44 HZ PHE 44 -2.748 -1.650 0.493 341 H LEU 45 HN LEU 45 3.788 -0.703 3.154 342 HA LEU 45 HA LEU 45 1.400 -0.241 4.645 343 HB2 LEU 45 HB2 LEU 45 2.417 0.112 6.805 344 HB3 LEU 45 HB1 LEU 45 2.772 -1.513 6.297 345 HG LEU 45 HG LEU 45 4.771 0.745 6.060 346 HD11 LEU 45 HD11 LEU 45 4.399 -1.282 8.258 347 HD12 LEU 45 HD12 LEU 45 4.157 0.466 8.386 348 HD13 LEU 45 HD13 LEU 45 5.765 -0.182 8.087 349 HD21 LEU 45 HD21 LEU 45 6.387 -1.074 5.947 350 HD22 LEU 45 HD22 LEU 45 5.186 -1.225 4.659 351 HD23 LEU 45 HD23 LEU 45 5.082 -2.251 6.088 352 H ILE 46 HN ILE 46 1.278 1.975 5.301 353 HA ILE 46 HA ILE 46 3.227 3.654 3.918 354 HB ILE 46 HB ILE 46 0.220 4.138 4.027 355 HG12 ILE 46 HG12 ILE 46 2.071 3.519 1.721 356 HG13 ILE 46 HG11 ILE 46 0.866 2.432 2.391 357 HG21 ILE 46 HG21 ILE 46 2.411 5.815 2.790 358 HG22 ILE 46 HG22 ILE 46 1.455 6.241 4.209 359 HG23 ILE 46 HG23 ILE 46 0.683 6.117 2.626 360 HD11 ILE 46 HD11 ILE 46 0.309 5.028 0.974 361 HD12 ILE 46 HD12 ILE 46 -0.910 3.899 1.579 362 HD13 ILE 46 HD13 ILE 46 0.194 3.416 0.279 363 H ARG 47 HN ARG 47 4.006 5.224 5.024 364 HA ARG 47 HA ARG 47 2.853 5.890 7.664 365 HB2 ARG 47 HB2 ARG 47 5.097 6.081 8.525 366 HB3 ARG 47 HB1 ARG 47 4.912 4.489 7.803 367 HG2 ARG 47 HG2 ARG 47 6.114 5.214 5.832 368 HG3 ARG 47 HG1 ARG 47 6.233 6.848 6.484 369 HD2 ARG 47 HD2 ARG 47 7.381 5.783 8.476 370 HD3 ARG 47 HD1 ARG 47 7.518 4.338 7.478 371 HE ARG 47 HE ARG 47 8.626 5.944 5.830 372 HH11 ARG 47 HH11 ARG 47 8.867 6.220 9.352 373 HH12 ARG 47 HH12 ARG 47 10.411 6.932 9.326 374 HH21 ARG 47 HH21 ARG 47 10.705 6.951 5.782 375 HH22 ARG 47 HH22 ARG 47 11.514 7.344 7.233 376 H ASP 48 HN ASP 48 4.239 8.060 8.349 377 HA ASP 48 HA ASP 48 3.867 9.988 6.222 378 HB2 ASP 48 HB2 ASP 48 3.235 10.674 8.486 379 HB3 ASP 48 HB1 ASP 48 4.816 10.225 9.103 380 H SER 49 HN SER 49 5.553 10.662 4.997 381 HA SER 49 HA SER 49 7.999 9.184 5.316 382 HB2 SER 49 HB2 SER 49 6.930 9.631 3.045 383 HB3 SER 49 HB1 SER 49 7.486 11.299 3.216 384 HG SER 49 HG SER 49 9.479 10.684 2.815 385 H HIS 50 HN HIS 50 9.356 9.805 6.689 386 HA HIS 50 HA HIS 50 9.410 12.313 7.940 387 HB2 HIS 50 HB2 HIS 50 11.188 9.915 8.083 388 HB3 HIS 50 HB1 HIS 50 11.552 11.379 8.986 389 HD1 HIS 50 HD1 HIS 50 8.084 9.626 8.600 390 HD2 HIS 50 HD2 HIS 50 10.875 10.740 11.500 391 HE1 HIS 50 HE1 HIS 50 7.077 9.042 10.789 392 H SER 51 HN SER 51 10.740 11.514 4.969 393 HA SER 51 HA SER 51 13.054 13.144 5.094 394 HB2 SER 51 HB2 SER 51 12.687 12.812 2.504 395 HB3 SER 51 HB1 SER 51 13.225 11.468 3.532 396 HG SER 51 HG SER 51 11.628 10.619 2.519 397 H PHE 52 HN PHE 52 9.721 13.667 4.681 398 HA PHE 52 HA PHE 52 10.171 16.514 4.164 399 HB2 PHE 52 HB2 PHE 52 8.010 14.777 2.906 400 HB3 PHE 52 HB1 PHE 52 8.087 16.524 2.772 401 HD1 PHE 52 HD1 PHE 52 9.734 17.580 1.320 402 HD2 PHE 52 HD2 PHE 52 9.478 13.352 1.668 403 HE1 PHE 52 HE1 PHE 52 11.117 17.337 -0.693 404 HE2 PHE 52 HE2 PHE 52 10.850 13.088 -0.321 405 HZ PHE 52 HZ PHE 52 11.686 15.087 -1.531 406 H GLN 53 HN GLN 53 7.741 17.494 4.658 407 HA GLN 53 HA GLN 53 6.701 15.954 6.891 408 HB2 GLN 53 HB2 GLN 53 6.091 18.087 8.021 409 HB3 GLN 53 HB1 GLN 53 7.819 17.824 7.837 410 HG2 GLN 53 HG2 GLN 53 7.949 19.442 6.086 411 HG3 GLN 53 HG1 GLN 53 6.188 19.594 6.054 412 HE21 GLN 53 HE21 GLN 53 9.072 20.321 7.832 413 HE22 GLN 53 HE22 GLN 53 8.362 21.484 8.891 414 H GLY 54 HN GLY 54 4.714 15.332 6.699 415 HA2 GLY 54 HA2 GLY 54 2.504 15.348 6.053 416 HA3 GLY 54 HA1 GLY 54 2.765 16.894 5.250 417 H ALA 55 HN ALA 55 4.442 13.827 4.862 418 HA ALA 55 HA ALA 55 3.391 13.576 2.159 419 HB1 ALA 55 HB1 ALA 55 5.632 14.609 1.924 420 HB2 ALA 55 HB2 ALA 55 5.635 12.954 1.332 421 HB3 ALA 55 HB3 ALA 55 6.322 13.322 2.914 422 H TYR 56 HN TYR 56 3.723 11.248 1.454 423 HA TYR 56 HA TYR 56 3.547 9.641 3.902 424 HB2 TYR 56 HB2 TYR 56 2.165 9.065 1.273 425 HB3 TYR 56 HB1 TYR 56 1.976 8.209 2.790 426 HD1 TYR 56 HD1 TYR 56 1.141 9.644 4.788 427 HD2 TYR 56 HD2 TYR 56 0.655 10.727 0.711 428 HE1 TYR 56 HE1 TYR 56 -0.706 11.092 5.408 429 HE2 TYR 56 HE2 TYR 56 -1.223 12.193 1.315 430 HH TYR 56 HH TYR 56 -2.839 12.438 3.066 431 H GLY 57 HN GLY 57 4.434 7.591 3.817 432 HA2 GLY 57 HA2 GLY 57 6.296 7.202 1.574 433 HA3 GLY 57 HA1 GLY 57 6.812 6.957 3.229 434 H LEU 58 HN LEU 58 5.790 5.404 0.537 435 HA LEU 58 HA LEU 58 4.314 3.299 1.882 436 HB2 LEU 58 HB2 LEU 58 3.382 4.062 -0.200 437 HB3 LEU 58 HB1 LEU 58 4.926 3.917 -1.008 438 HG LEU 58 HG LEU 58 4.785 1.440 -0.678 439 HD11 LEU 58 HD11 LEU 58 2.000 2.042 0.193 440 HD12 LEU 58 HD12 LEU 58 3.287 1.303 1.157 441 HD13 LEU 58 HD13 LEU 58 2.623 0.462 -0.248 442 HD21 LEU 58 HD21 LEU 58 3.189 1.047 -2.438 443 HD22 LEU 58 HD22 LEU 58 4.217 2.439 -2.804 444 HD23 LEU 58 HD23 LEU 58 2.551 2.683 -2.259 445 H ALA 59 HN ALA 59 5.368 1.602 2.587 446 HA ALA 59 HA ALA 59 7.962 0.941 1.400 447 HB1 ALA 59 HB1 ALA 59 6.793 0.133 4.070 448 HB2 ALA 59 HB2 ALA 59 8.037 1.362 3.824 449 HB3 ALA 59 HB3 ALA 59 8.383 -0.330 3.466 450 H LEU 60 HN LEU 60 7.842 -0.616 0.003 451 HA LEU 60 HA LEU 60 5.629 -2.558 0.142 452 HB2 LEU 60 HB2 LEU 60 5.559 -1.206 -1.849 453 HB3 LEU 60 HB1 LEU 60 7.245 -1.535 -2.187 454 HG LEU 60 HG LEU 60 6.639 -3.940 -2.527 455 HD11 LEU 60 HD11 LEU 60 4.592 -4.043 -1.277 456 HD12 LEU 60 HD12 LEU 60 4.303 -4.505 -2.957 457 HD13 LEU 60 HD13 LEU 60 3.830 -2.905 -2.386 458 HD21 LEU 60 HD21 LEU 60 5.696 -3.605 -4.752 459 HD22 LEU 60 HD22 LEU 60 6.963 -2.426 -4.400 460 HD23 LEU 60 HD23 LEU 60 5.261 -1.953 -4.315 461 H LYS 61 HN LYS 61 6.176 -4.597 0.562 462 HA LYS 61 HA LYS 61 8.958 -5.370 0.503 463 HB2 LYS 61 HB2 LYS 61 7.491 -6.045 2.387 464 HB3 LYS 61 HB1 LYS 61 6.512 -6.960 1.264 465 HG2 LYS 61 HG2 LYS 61 8.071 -8.400 2.529 466 HG3 LYS 61 HG1 LYS 61 8.326 -8.473 0.783 467 HD2 LYS 61 HD2 LYS 61 10.205 -6.900 0.998 468 HD3 LYS 61 HD1 LYS 61 9.942 -6.832 2.741 469 HE2 LYS 61 HE2 LYS 61 11.792 -8.317 2.110 470 HE3 LYS 61 HE1 LYS 61 10.501 -9.170 2.942 471 HZ1 LYS 61 HZ1 LYS 61 9.732 -10.026 0.858 472 HZ2 LYS 61 HZ2 LYS 61 11.334 -10.399 1.039 473 HZ3 LYS 61 HZ3 LYS 61 10.881 -9.175 -0.028 474 H VAL 62 HN VAL 62 9.773 -6.102 -1.319 475 HA VAL 62 HA VAL 62 7.975 -7.450 -3.203 476 HB VAL 62 HB VAL 62 9.596 -6.937 -4.963 477 HG11 VAL 62 HG11 VAL 62 9.403 -4.475 -4.987 478 HG12 VAL 62 HG12 VAL 62 8.838 -4.535 -3.319 479 HG13 VAL 62 HG13 VAL 62 7.892 -5.298 -4.598 480 HG21 VAL 62 HG21 VAL 62 11.193 -5.532 -2.817 481 HG22 VAL 62 HG22 VAL 62 11.537 -5.482 -4.546 482 HG23 VAL 62 HG23 VAL 62 11.663 -7.005 -3.666 483 H ALA 63 HN ALA 63 9.023 -9.250 -4.436 484 HA ALA 63 HA ALA 63 10.203 -11.138 -2.689 485 HB1 ALA 63 HB1 ALA 63 10.495 -12.509 -4.734 486 HB2 ALA 63 HB2 ALA 63 10.072 -11.110 -5.719 487 HB3 ALA 63 HB3 ALA 63 8.874 -11.822 -4.637 488 H THR 64 HN THR 64 11.412 -9.362 -5.469 489 HA THR 64 HA THR 64 13.816 -8.673 -4.214 490 HB THR 64 HB THR 64 15.061 -9.560 -6.367 491 HG1 THR 64 HG1 THR 64 12.820 -10.660 -6.878 492 HG21 THR 64 HG21 THR 64 15.797 -11.613 -5.188 493 HG22 THR 64 HG22 THR 64 14.474 -11.395 -4.041 494 HG23 THR 64 HG23 THR 64 15.763 -10.198 -4.136 495 HA PRO 65 HA PRO 65 12.869 -5.202 -6.858 496 HB2 PRO 65 HB2 PRO 65 15.799 -4.730 -6.977 497 HB3 PRO 65 HB1 PRO 65 14.516 -3.639 -6.437 498 HG2 PRO 65 HG2 PRO 65 16.198 -4.833 -4.737 499 HG3 PRO 65 HG1 PRO 65 14.519 -4.499 -4.294 500 HD2 PRO 65 HD2 PRO 65 15.814 -7.072 -5.082 501 HD3 PRO 65 HD1 PRO 65 14.491 -6.775 -3.908 502 HA PRO 66 HA PRO 66 15.641 -6.782 -10.711 503 HB2 PRO 66 HB2 PRO 66 16.666 -9.311 -10.255 504 HB3 PRO 66 HB1 PRO 66 17.581 -7.848 -9.857 505 HG2 PRO 66 HG2 PRO 66 15.818 -9.374 -8.068 506 HG3 PRO 66 HG1 PRO 66 17.540 -8.980 -7.844 507 HD2 PRO 66 HD2 PRO 66 15.780 -7.564 -6.753 508 HD3 PRO 66 HD1 PRO 66 17.050 -6.686 -7.667 509 HA PRO 67 HA PRO 67 11.919 -8.988 -11.922 510 HB2 PRO 67 HB2 PRO 67 13.553 -10.318 -14.009 511 HB3 PRO 67 HB1 PRO 67 12.078 -9.377 -14.189 512 HG2 PRO 67 HG2 PRO 67 14.436 -8.349 -14.884 513 HG3 PRO 67 HG1 PRO 67 13.202 -7.346 -14.108 514 HD2 PRO 67 HD2 PRO 67 15.689 -8.515 -12.952 515 HD3 PRO 67 HD1 PRO 67 14.907 -6.961 -12.631 516 H SER 68 HN SER 68 14.857 -11.013 -12.104 517 HA SER 68 HA SER 68 13.363 -13.061 -10.602 518 HB2 SER 68 HB2 SER 68 15.233 -13.705 -12.890 519 HB3 SER 68 HB1 SER 68 14.239 -14.833 -11.972 520 HG SER 68 HG SER 68 13.520 -12.982 -13.917 521 H ALA 69 HN ALA 69 15.873 -11.045 -10.556 522 HA ALA 69 HA ALA 69 17.766 -10.787 -9.370 523 HB1 ALA 69 HB1 ALA 69 17.956 -11.889 -7.229 524 HB2 ALA 69 HB2 ALA 69 16.650 -13.022 -7.660 525 HB3 ALA 69 HB3 ALA 69 16.343 -11.273 -7.531 526 H GLN 70 HN GLN 70 17.902 -12.263 -11.607 527 HA GLN 70 HA GLN 70 19.405 -14.583 -11.491 528 HB2 GLN 70 HB2 GLN 70 19.493 -12.423 -13.606 529 HB3 GLN 70 HB1 GLN 70 20.206 -14.018 -13.795 530 HG2 GLN 70 HG2 GLN 70 17.972 -15.016 -13.503 531 HG3 GLN 70 HG1 GLN 70 17.294 -13.396 -13.382 532 HE21 GLN 70 HE21 GLN 70 19.066 -12.316 -15.494 533 HE22 GLN 70 HE22 GLN 70 18.450 -12.950 -16.965 534 HA PRO 71 HA PRO 71 23.490 -12.162 -11.084 535 HB2 PRO 71 HB2 PRO 71 23.490 -9.528 -10.511 536 HB3 PRO 71 HB1 PRO 71 23.454 -10.118 -12.176 537 HG2 PRO 71 HG2 PRO 71 21.212 -9.112 -10.476 538 HG3 PRO 71 HG1 PRO 71 21.556 -8.783 -12.183 539 HD2 PRO 71 HD2 PRO 71 19.705 -10.609 -11.357 540 HD3 PRO 71 HD1 PRO 71 20.597 -10.742 -12.884 541 H TRP 72 HN TRP 72 24.465 -12.384 -9.138 542 HA TRP 72 HA TRP 72 22.874 -11.920 -6.758 543 HB2 TRP 72 HB2 TRP 72 23.915 -14.125 -6.910 544 HB3 TRP 72 HB1 TRP 72 25.501 -13.388 -7.131 545 HD1 TRP 72 HD1 TRP 72 26.761 -12.531 -4.978 546 HE1 TRP 72 HE1 TRP 72 26.317 -12.784 -2.452 547 HE3 TRP 72 HE3 TRP 72 21.989 -14.271 -5.166 548 HZ2 TRP 72 HZ2 TRP 72 24.227 -13.609 -0.779 549 HZ3 TRP 72 HZ3 TRP 72 20.822 -14.763 -3.057 550 HH2 TRP 72 HH2 TRP 72 21.921 -14.438 -0.914 551 H LYS 73 HN LYS 73 23.391 -10.410 -5.340 552 HA LYS 73 HA LYS 73 25.935 -8.996 -5.680 553 HB2 LYS 73 HB2 LYS 73 24.122 -7.685 -6.747 554 HB3 LYS 73 HB1 LYS 73 23.241 -7.669 -5.230 555 HG2 LYS 73 HG2 LYS 73 24.346 -5.538 -5.632 556 HG3 LYS 73 HG1 LYS 73 25.020 -6.340 -4.210 557 HD2 LYS 73 HD2 LYS 73 26.905 -7.135 -5.560 558 HD3 LYS 73 HD1 LYS 73 26.235 -6.335 -6.974 559 HE2 LYS 73 HE2 LYS 73 28.012 -5.003 -5.965 560 HE3 LYS 73 HE1 LYS 73 26.462 -4.170 -5.858 561 HZ1 LYS 73 HZ1 LYS 73 27.750 -4.055 -3.801 562 HZ2 LYS 73 HZ2 LYS 73 27.706 -5.723 -3.639 563 HZ3 LYS 73 HZ3 LYS 73 26.283 -4.810 -3.568 564 H GLY 74 HN GLY 74 23.833 -10.605 -3.618 565 HA2 GLY 74 HA2 GLY 74 23.981 -11.015 -1.349 566 HA3 GLY 74 HA1 GLY 74 25.391 -9.953 -1.287 567 H ASP 75 HN ASP 75 21.990 -9.656 -2.098 568 HA ASP 75 HA ASP 75 21.943 -6.971 -1.128 569 HB2 ASP 75 HB2 ASP 75 19.664 -6.960 -2.062 570 HB3 ASP 75 HB1 ASP 75 20.866 -7.484 -3.229 571 HA PRO 76 HA PRO 76 20.279 -8.219 2.766 572 HB2 PRO 76 HB2 PRO 76 19.927 -5.787 3.844 573 HB3 PRO 76 HB1 PRO 76 21.543 -6.455 3.585 574 HG2 PRO 76 HG2 PRO 76 20.046 -4.440 1.966 575 HG3 PRO 76 HG1 PRO 76 21.765 -4.487 2.395 576 HD2 PRO 76 HD2 PRO 76 20.733 -5.303 -0.036 577 HD3 PRO 76 HD1 PRO 76 22.286 -5.842 0.638 578 H VAL 77 HN VAL 77 18.320 -7.863 4.047 579 HA VAL 77 HA VAL 77 15.979 -7.976 2.529 580 HB VAL 77 HB VAL 77 16.256 -9.031 4.750 581 HG11 VAL 77 HG11 VAL 77 17.399 -7.292 5.950 582 HG12 VAL 77 HG12 VAL 77 15.921 -7.730 6.809 583 HG13 VAL 77 HG13 VAL 77 15.980 -6.250 5.854 584 HG21 VAL 77 HG21 VAL 77 13.984 -8.611 5.603 585 HG22 VAL 77 HG22 VAL 77 14.009 -8.793 3.851 586 HG23 VAL 77 HG23 VAL 77 13.871 -7.187 4.569 587 H GLU 78 HN GLU 78 17.616 -5.262 3.883 588 HA GLU 78 HA GLU 78 15.517 -3.389 3.925 589 HB2 GLU 78 HB2 GLU 78 18.480 -2.965 3.539 590 HB3 GLU 78 HB1 GLU 78 17.322 -1.690 3.882 591 HG2 GLU 78 HG2 GLU 78 16.791 -2.787 6.034 592 HG3 GLU 78 HG1 GLU 78 18.003 -4.012 5.671 593 H GLN 79 HN GLN 79 17.441 -4.682 1.348 594 HA GLN 79 HA GLN 79 16.677 -2.631 -0.523 595 HB2 GLN 79 HB2 GLN 79 18.855 -3.640 -0.814 596 HB3 GLN 79 HB1 GLN 79 18.154 -5.247 -0.866 597 HG2 GLN 79 HG2 GLN 79 17.055 -4.731 -2.948 598 HG3 GLN 79 HG1 GLN 79 17.690 -3.089 -2.911 599 HE21 GLN 79 HE21 GLN 79 20.303 -3.782 -2.011 600 HE22 GLN 79 HE22 GLN 79 21.095 -4.638 -3.271 601 H LEU 80 HN LEU 80 15.563 -5.709 0.537 602 HA LEU 80 HA LEU 80 13.848 -6.244 -1.697 603 HB2 LEU 80 HB2 LEU 80 13.766 -7.402 1.089 604 HB3 LEU 80 HB1 LEU 80 12.931 -8.044 -0.312 605 HG LEU 80 HG LEU 80 15.921 -7.940 0.079 606 HD11 LEU 80 HD11 LEU 80 14.848 -9.609 1.464 607 HD12 LEU 80 HD12 LEU 80 15.760 -10.368 0.158 608 HD13 LEU 80 HD13 LEU 80 14.003 -10.253 0.057 609 HD21 LEU 80 HD21 LEU 80 15.364 -7.653 -2.277 610 HD22 LEU 80 HD22 LEU 80 14.290 -9.049 -2.204 611 HD23 LEU 80 HD23 LEU 80 16.025 -9.259 -1.994 612 H VAL 81 HN VAL 81 13.709 -4.183 0.903 613 HA VAL 81 HA VAL 81 10.829 -3.850 0.615 614 HB VAL 81 HB VAL 81 12.740 -2.702 2.692 615 HG11 VAL 81 HG11 VAL 81 10.697 -1.808 3.768 616 HG12 VAL 81 HG12 VAL 81 9.758 -2.343 2.366 617 HG13 VAL 81 HG13 VAL 81 10.987 -1.098 2.179 618 HG21 VAL 81 HG21 VAL 81 11.467 -4.079 4.274 619 HG22 VAL 81 HG22 VAL 81 12.219 -5.073 3.018 620 HG23 VAL 81 HG23 VAL 81 10.495 -4.693 2.937 621 H ARG 82 HN ARG 82 10.225 -2.370 -0.733 622 HA ARG 82 HA ARG 82 12.212 -0.437 -1.678 623 HB2 ARG 82 HB2 ARG 82 9.547 -1.094 -2.897 624 HB3 ARG 82 HB1 ARG 82 10.838 -0.160 -3.625 625 HG2 ARG 82 HG2 ARG 82 10.737 -3.121 -3.139 626 HG3 ARG 82 HG1 ARG 82 10.804 -2.277 -4.683 627 HD2 ARG 82 HD2 ARG 82 12.944 -2.381 -2.590 628 HD3 ARG 82 HD1 ARG 82 12.924 -3.260 -4.127 629 HE ARG 82 HE ARG 82 12.869 -0.850 -5.073 630 HH11 ARG 82 HH11 ARG 82 14.724 -1.948 -2.260 631 HH12 ARG 82 HH12 ARG 82 15.930 -0.764 -2.393 632 HH21 ARG 82 HH21 ARG 82 14.561 0.726 -5.325 633 HH22 ARG 82 HH22 ARG 82 15.855 0.785 -4.226 634 H HIS 83 HN HIS 83 11.933 1.600 -1.251 635 HA HIS 83 HA HIS 83 9.464 2.371 0.145 636 HB2 HIS 83 HB2 HIS 83 12.251 3.534 0.341 637 HB3 HIS 83 HB1 HIS 83 10.833 4.305 1.035 638 HD1 HIS 83 HD1 HIS 83 13.206 1.431 1.589 639 HD2 HIS 83 HD2 HIS 83 9.795 3.078 3.312 640 HE1 HIS 83 HE1 HIS 83 12.984 0.378 3.853 641 H PHE 84 HN PHE 84 8.163 3.595 -0.884 642 HA PHE 84 HA PHE 84 9.153 5.435 -2.948 643 HB2 PHE 84 HB2 PHE 84 6.632 3.750 -3.021 644 HB3 PHE 84 HB1 PHE 84 7.055 4.989 -4.193 645 HD1 PHE 84 HD1 PHE 84 9.018 4.649 -5.656 646 HD2 PHE 84 HD2 PHE 84 7.491 1.561 -3.187 647 HE1 PHE 84 HE1 PHE 84 10.221 2.979 -7.010 648 HE2 PHE 84 HE2 PHE 84 8.695 -0.107 -4.528 649 HZ PHE 84 HZ PHE 84 10.048 0.596 -6.443 650 H LEU 85 HN LEU 85 8.678 7.425 -2.321 651 HA LEU 85 HA LEU 85 6.612 7.594 -0.332 652 HB2 LEU 85 HB2 LEU 85 7.555 9.708 0.375 653 HB3 LEU 85 HB1 LEU 85 8.772 8.460 0.353 654 HG LEU 85 HG LEU 85 9.310 9.530 -2.010 655 HD11 LEU 85 HD11 LEU 85 8.117 11.791 -0.449 656 HD12 LEU 85 HD12 LEU 85 7.478 11.105 -1.948 657 HD13 LEU 85 HD13 LEU 85 9.032 11.952 -1.954 658 HD21 LEU 85 HD21 LEU 85 11.003 10.895 -0.905 659 HD22 LEU 85 HD22 LEU 85 10.858 9.304 -0.156 660 HD23 LEU 85 HD23 LEU 85 10.147 10.716 0.629 661 H ILE 86 HN ILE 86 4.978 8.895 -0.394 662 HA ILE 86 HA ILE 86 4.053 9.609 -3.068 663 HB ILE 86 HB ILE 86 2.543 9.122 -0.497 664 HG12 ILE 86 HG12 ILE 86 2.673 7.418 -2.973 665 HG13 ILE 86 HG11 ILE 86 3.569 7.079 -1.493 666 HG21 ILE 86 HG21 ILE 86 1.479 9.592 -3.279 667 HG22 ILE 86 HG22 ILE 86 1.398 10.719 -1.928 668 HG23 ILE 86 HG23 ILE 86 0.505 9.195 -1.859 669 HD11 ILE 86 HD11 ILE 86 1.603 5.679 -1.669 670 HD12 ILE 86 HD12 ILE 86 0.574 7.102 -1.834 671 HD13 ILE 86 HD13 ILE 86 1.425 6.796 -0.316 672 H GLU 87 HN GLU 87 3.714 11.633 -3.491 673 HA GLU 87 HA GLU 87 4.294 13.645 -1.444 674 HB2 GLU 87 HB2 GLU 87 4.059 13.872 -4.445 675 HB3 GLU 87 HB1 GLU 87 4.595 15.128 -3.329 676 HG2 GLU 87 HG2 GLU 87 6.525 13.923 -2.854 677 HG3 GLU 87 HG1 GLU 87 5.958 12.542 -3.793 678 H THR 88 HN THR 88 2.892 15.463 -1.346 679 HA THR 88 HA THR 88 0.460 15.366 -2.794 680 HB THR 88 HB THR 88 -0.281 14.112 -0.957 681 HG1 THR 88 HG1 THR 88 -1.133 16.724 -0.250 682 HG21 THR 88 HG21 THR 88 -0.097 14.803 1.398 683 HG22 THR 88 HG22 THR 88 0.932 16.157 0.902 684 HG23 THR 88 HG23 THR 88 1.463 14.488 0.644 685 H GLY 89 HN GLY 89 -0.121 17.266 -3.346 686 HA2 GLY 89 HA2 GLY 89 0.861 19.620 -1.904 687 HA3 GLY 89 HA1 GLY 89 1.344 19.402 -3.574 688 HA PRO 90 HA PRO 90 -2.286 22.111 -3.938 689 HB2 PRO 90 HB2 PRO 90 -1.241 22.054 -6.722 690 HB3 PRO 90 HB1 PRO 90 -1.718 23.438 -5.729 691 HG2 PRO 90 HG2 PRO 90 0.848 22.882 -6.179 692 HG3 PRO 90 HG1 PRO 90 0.301 23.494 -4.612 693 HD2 PRO 90 HD2 PRO 90 1.106 20.718 -5.368 694 HD3 PRO 90 HD1 PRO 90 1.305 21.585 -3.845 695 H LYS 91 HN LYS 91 -1.380 19.659 -6.457 696 HA LYS 91 HA LYS 91 -4.026 19.307 -7.325 697 HB2 LYS 91 HB2 LYS 91 -1.348 18.239 -7.887 698 HB3 LYS 91 HB1 LYS 91 -2.707 17.192 -8.231 699 HG2 LYS 91 HG2 LYS 91 -1.891 18.468 -10.097 700 HG3 LYS 91 HG1 LYS 91 -3.615 18.716 -9.742 701 HD2 LYS 91 HD2 LYS 91 -2.588 20.721 -10.441 702 HD3 LYS 91 HD1 LYS 91 -2.982 20.846 -8.707 703 HE2 LYS 91 HE2 LYS 91 -0.660 20.414 -8.175 704 HE3 LYS 91 HE1 LYS 91 -0.285 20.205 -9.888 705 HZ1 LYS 91 HZ1 LYS 91 -1.279 22.742 -8.672 706 HZ2 LYS 91 HZ2 LYS 91 -0.858 22.495 -10.275 707 HZ3 LYS 91 HZ3 LYS 91 0.328 22.433 -9.105 708 H GLY 92 HN GLY 92 -1.761 17.076 -5.640 709 HA2 GLY 92 HA2 GLY 92 -3.469 16.154 -3.732 710 HA3 GLY 92 HA1 GLY 92 -3.866 15.217 -5.169 711 H VAL 93 HN VAL 93 -3.114 13.284 -4.494 712 HA VAL 93 HA VAL 93 -0.338 13.142 -3.557 713 HB VAL 93 HB VAL 93 -0.856 10.996 -2.545 714 HG11 VAL 93 HG11 VAL 93 -2.722 11.632 -0.978 715 HG12 VAL 93 HG12 VAL 93 -2.721 13.196 -1.821 716 HG13 VAL 93 HG13 VAL 93 -1.265 12.588 -1.019 717 HG21 VAL 93 HG21 VAL 93 -3.121 10.027 -2.542 718 HG22 VAL 93 HG22 VAL 93 -2.429 10.092 -4.161 719 HG23 VAL 93 HG23 VAL 93 -3.642 11.277 -3.673 720 H LYS 94 HN LYS 94 1.111 11.654 -4.479 721 HA LYS 94 HA LYS 94 0.441 9.531 -6.163 722 HB2 LYS 94 HB2 LYS 94 1.090 10.205 -8.349 723 HB3 LYS 94 HB1 LYS 94 0.082 11.516 -7.789 724 HG2 LYS 94 HG2 LYS 94 3.092 11.494 -7.972 725 HG3 LYS 94 HG1 LYS 94 1.986 12.334 -9.045 726 HD2 LYS 94 HD2 LYS 94 1.263 13.708 -7.057 727 HD3 LYS 94 HD1 LYS 94 2.561 12.939 -6.143 728 HE2 LYS 94 HE2 LYS 94 2.863 14.589 -8.648 729 HE3 LYS 94 HE1 LYS 94 3.329 15.074 -7.016 730 HZ1 LYS 94 HZ1 LYS 94 5.137 14.326 -8.459 731 HZ2 LYS 94 HZ2 LYS 94 4.506 12.768 -8.481 732 HZ3 LYS 94 HZ3 LYS 94 5.073 13.462 -7.030 733 H ILE 95 HN ILE 95 2.422 8.377 -6.910 734 HA ILE 95 HA ILE 95 4.383 8.618 -4.856 735 HB ILE 95 HB ILE 95 4.092 6.676 -7.161 736 HG12 ILE 95 HG12 ILE 95 3.785 6.346 -4.175 737 HG13 ILE 95 HG11 ILE 95 2.437 6.518 -5.301 738 HG21 ILE 95 HG21 ILE 95 6.472 6.900 -6.695 739 HG22 ILE 95 HG22 ILE 95 5.889 5.345 -6.095 740 HG23 ILE 95 HG23 ILE 95 6.171 6.680 -4.973 741 HD11 ILE 95 HD11 ILE 95 2.732 4.222 -4.617 742 HD12 ILE 95 HD12 ILE 95 4.416 4.252 -5.148 743 HD13 ILE 95 HD13 ILE 95 3.117 4.384 -6.331 744 H LYS 96 HN LYS 96 6.296 9.488 -4.875 745 HA LYS 96 HA LYS 96 7.134 11.162 -7.006 746 HB2 LYS 96 HB2 LYS 96 7.641 11.805 -4.745 747 HB3 LYS 96 HB1 LYS 96 8.495 10.300 -4.450 748 HG2 LYS 96 HG2 LYS 96 10.245 10.960 -5.994 749 HG3 LYS 96 HG1 LYS 96 9.375 12.442 -6.381 750 HD2 LYS 96 HD2 LYS 96 10.177 11.758 -3.594 751 HD3 LYS 96 HD1 LYS 96 11.301 12.603 -4.695 752 HE2 LYS 96 HE2 LYS 96 8.569 13.486 -3.786 753 HE3 LYS 96 HE1 LYS 96 10.101 14.104 -3.182 754 HZ1 LYS 96 HZ1 LYS 96 9.417 14.278 -6.058 755 HZ2 LYS 96 HZ2 LYS 96 10.497 15.241 -5.165 756 HZ3 LYS 96 HZ3 LYS 96 8.822 15.357 -4.937 757 H GLY 97 HN GLY 97 8.185 10.607 -8.738 758 HA2 GLY 97 HA2 GLY 97 10.179 9.686 -9.724 759 HA3 GLY 97 HA1 GLY 97 10.011 8.298 -8.657 760 H CYS 98 HN CYS 98 6.978 9.041 -9.550 761 HA CYS 98 HA CYS 98 7.060 7.117 -11.742 762 HB2 CYS 98 HB2 CYS 98 5.824 6.516 -9.678 763 HB3 CYS 98 HB1 CYS 98 4.762 7.888 -9.949 764 HG CYS 98 HG CYS 98 3.301 5.835 -10.640 765 HA PRO 99 HA PRO 99 5.648 10.807 -13.993 766 HB2 PRO 99 HB2 PRO 99 6.853 10.299 -16.273 767 HB3 PRO 99 HB1 PRO 99 7.831 10.645 -14.840 768 HG2 PRO 99 HG2 PRO 99 7.233 8.021 -16.134 769 HG3 PRO 99 HG1 PRO 99 8.756 8.590 -15.429 770 HD2 PRO 99 HD2 PRO 99 6.842 6.958 -14.170 771 HD3 PRO 99 HD1 PRO 99 8.171 7.821 -13.366 772 H SER 100 HN SER 100 4.215 8.018 -13.860 773 HA SER 100 HA SER 100 2.569 8.435 -16.260 774 HB2 SER 100 HB2 SER 100 3.596 5.745 -15.302 775 HB3 SER 100 HB1 SER 100 2.546 6.026 -16.693 776 HG SER 100 HG SER 100 4.621 7.603 -16.969 777 H GLU 101 HN GLU 101 2.202 9.207 -13.564 778 HA GLU 101 HA GLU 101 -0.022 7.513 -12.741 779 HB2 GLU 101 HB2 GLU 101 2.140 7.015 -11.547 780 HB3 GLU 101 HB1 GLU 101 2.070 8.641 -10.905 781 HG2 GLU 101 HG2 GLU 101 0.087 8.133 -9.690 782 HG3 GLU 101 HG1 GLU 101 -0.016 6.533 -10.448 783 HA PRO 102 HA PRO 102 -1.652 11.693 -12.692 784 HB2 PRO 102 HB2 PRO 102 -4.187 11.063 -12.070 785 HB3 PRO 102 HB1 PRO 102 -3.523 10.758 -13.678 786 HG2 PRO 102 HG2 PRO 102 -3.910 8.862 -11.399 787 HG3 PRO 102 HG1 PRO 102 -4.237 8.619 -13.124 788 HD2 PRO 102 HD2 PRO 102 -2.000 7.698 -11.876 789 HD3 PRO 102 HD1 PRO 102 -2.045 8.137 -13.597 790 H TYR 103 HN TYR 103 -3.044 12.976 -11.102 791 HA TYR 103 HA TYR 103 -2.017 12.496 -8.440 792 HB2 TYR 103 HB2 TYR 103 -3.808 14.716 -9.440 793 HB3 TYR 103 HB1 TYR 103 -2.997 14.659 -7.890 794 HD1 TYR 103 HD1 TYR 103 -0.429 14.724 -7.903 795 HD2 TYR 103 HD2 TYR 103 -2.797 15.720 -11.292 796 HE1 TYR 103 HE1 TYR 103 1.451 16.014 -8.846 797 HE2 TYR 103 HE2 TYR 103 -0.936 17.006 -12.231 798 HH TYR 103 HH TYR 103 2.239 16.780 -11.014 799 H PHE 104 HN PHE 104 -3.174 11.574 -6.897 800 HA PHE 104 HA PHE 104 -6.044 11.109 -7.364 801 HB2 PHE 104 HB2 PHE 104 -4.218 9.679 -5.400 802 HB3 PHE 104 HB1 PHE 104 -5.872 9.272 -5.781 803 HD1 PHE 104 HD1 PHE 104 -6.456 8.284 -7.953 804 HD2 PHE 104 HD2 PHE 104 -2.417 8.963 -6.823 805 HE1 PHE 104 HE1 PHE 104 -5.708 6.735 -9.714 806 HE2 PHE 104 HE2 PHE 104 -1.660 7.416 -8.578 807 HZ PHE 104 HZ PHE 104 -3.306 6.302 -10.028 808 H GLY 105 HN GLY 105 -7.258 11.000 -5.180 809 HA2 GLY 105 HA2 GLY 105 -6.523 13.414 -3.684 810 HA3 GLY 105 HA1 GLY 105 -8.105 12.642 -3.672 811 H SER 106 HN SER 106 -7.700 10.164 -3.055 812 HA SER 106 HA SER 106 -6.543 10.257 -0.369 813 HB2 SER 106 HB2 SER 106 -8.641 8.451 -1.578 814 HB3 SER 106 HB1 SER 106 -8.099 8.400 0.098 815 HG SER 106 HG SER 106 -8.789 10.894 -0.661 816 H LEU 107 HN LEU 107 -5.366 8.414 0.355 817 HA LEU 107 HA LEU 107 -3.547 7.337 -1.518 818 HB2 LEU 107 HB2 LEU 107 -4.160 6.505 1.310 819 HB3 LEU 107 HB1 LEU 107 -2.788 5.927 0.386 820 HG LEU 107 HG LEU 107 -3.276 8.763 1.294 821 HD11 LEU 107 HD11 LEU 107 -1.315 8.375 2.708 822 HD12 LEU 107 HD12 LEU 107 -1.271 6.698 2.163 823 HD13 LEU 107 HD13 LEU 107 -2.642 7.281 3.105 824 HD21 LEU 107 HD21 LEU 107 -1.016 9.199 0.430 825 HD22 LEU 107 HD22 LEU 107 -2.136 8.747 -0.849 826 HD23 LEU 107 HD23 LEU 107 -0.969 7.567 -0.241 827 H SER 108 HN SER 108 -6.440 6.146 0.012 828 HA SER 108 HA SER 108 -6.413 3.499 -0.603 829 HB2 SER 108 HB2 SER 108 -8.765 5.387 -0.567 830 HB3 SER 108 HB1 SER 108 -8.843 3.629 -0.383 831 HG SER 108 HG SER 108 -7.593 3.788 1.431 832 H ALA 109 HN ALA 109 -6.967 6.172 -2.807 833 HA ALA 109 HA ALA 109 -8.240 4.639 -4.833 834 HB1 ALA 109 HB1 ALA 109 -7.911 6.577 -6.257 835 HB2 ALA 109 HB2 ALA 109 -6.779 7.264 -5.089 836 HB3 ALA 109 HB3 ALA 109 -8.481 7.085 -4.667 837 H LEU 110 HN LEU 110 -4.825 5.569 -4.304 838 HA LEU 110 HA LEU 110 -4.257 4.068 -6.665 839 HB2 LEU 110 HB2 LEU 110 -1.801 4.474 -6.299 840 HB3 LEU 110 HB1 LEU 110 -2.753 5.897 -6.560 841 HG LEU 110 HG LEU 110 -0.937 6.283 -5.022 842 HD11 LEU 110 HD11 LEU 110 -2.866 7.636 -4.725 843 HD12 LEU 110 HD12 LEU 110 -2.031 7.344 -3.203 844 HD13 LEU 110 HD13 LEU 110 -3.531 6.483 -3.559 845 HD21 LEU 110 HD21 LEU 110 -2.183 4.220 -3.216 846 HD22 LEU 110 HD22 LEU 110 -0.863 5.299 -2.766 847 HD23 LEU 110 HD23 LEU 110 -0.626 4.101 -4.038 848 H VAL 111 HN VAL 111 -4.204 3.503 -3.311 849 HA VAL 111 HA VAL 111 -2.754 1.147 -3.214 850 HB VAL 111 HB VAL 111 -5.143 2.018 -1.549 851 HG11 VAL 111 HG11 VAL 111 -5.015 -0.414 -1.445 852 HG12 VAL 111 HG12 VAL 111 -4.483 0.294 0.085 853 HG13 VAL 111 HG13 VAL 111 -3.296 -0.316 -1.069 854 HG21 VAL 111 HG21 VAL 111 -3.439 2.463 0.152 855 HG22 VAL 111 HG22 VAL 111 -3.158 3.390 -1.322 856 HG23 VAL 111 HG23 VAL 111 -2.184 1.959 -0.981 857 H SER 112 HN SER 112 -6.120 1.657 -4.033 858 HA SER 112 HA SER 112 -6.773 -1.082 -4.306 859 HB2 SER 112 HB2 SER 112 -8.864 -0.082 -5.405 860 HB3 SER 112 HB1 SER 112 -8.498 0.466 -3.763 861 HG SER 112 HG SER 112 -7.978 2.343 -4.438 862 H GLN 113 HN GLN 113 -5.552 1.354 -6.500 863 HA GLN 113 HA GLN 113 -6.122 -0.188 -8.855 864 HB2 GLN 113 HB2 GLN 113 -4.564 2.361 -8.488 865 HB3 GLN 113 HB1 GLN 113 -4.813 1.588 -10.046 866 HG2 GLN 113 HG2 GLN 113 -7.217 1.845 -9.809 867 HG3 GLN 113 HG1 GLN 113 -6.993 2.574 -8.227 868 HE21 GLN 113 HE21 GLN 113 -4.913 3.258 -11.003 869 HE22 GLN 113 HE22 GLN 113 -5.430 4.883 -11.185 870 H HIS 114 HN HIS 114 -3.292 0.354 -6.835 871 HA HIS 114 HA HIS 114 -1.509 -0.696 -8.777 872 HB2 HIS 114 HB2 HIS 114 -1.049 -0.139 -5.864 873 HB3 HIS 114 HB1 HIS 114 0.197 -0.731 -6.953 874 HD1 HIS 114 HD1 HIS 114 -0.526 1.152 -9.396 875 HD2 HIS 114 HD2 HIS 114 -0.101 2.343 -5.442 876 HE1 HIS 114 HE1 HIS 114 0.055 3.622 -9.446 877 H SER 115 HN SER 115 -3.650 -2.349 -6.879 878 HA SER 115 HA SER 115 -2.142 -4.747 -6.547 879 HB2 SER 115 HB2 SER 115 -5.129 -4.410 -6.878 880 HB3 SER 115 HB1 SER 115 -4.305 -5.795 -6.160 881 HG SER 115 HG SER 115 -3.401 -4.013 -4.714 882 H ILE 116 HN ILE 116 -3.894 -3.203 -9.087 883 HA ILE 116 HA ILE 116 -3.836 -5.556 -10.836 884 HB ILE 116 HB ILE 116 -5.176 -2.868 -11.262 885 HG12 ILE 116 HG12 ILE 116 -6.440 -5.450 -10.325 886 HG13 ILE 116 HG11 ILE 116 -6.073 -4.094 -9.272 887 HG21 ILE 116 HG21 ILE 116 -6.464 -4.061 -12.979 888 HG22 ILE 116 HG22 ILE 116 -5.536 -5.527 -12.652 889 HG23 ILE 116 HG23 ILE 116 -4.733 -4.104 -13.316 890 HD11 ILE 116 HD11 ILE 116 -7.993 -4.075 -11.593 891 HD12 ILE 116 HD12 ILE 116 -7.631 -2.699 -10.547 892 HD13 ILE 116 HD13 ILE 116 -8.418 -4.130 -9.881 893 H SER 117 HN SER 117 -3.126 -2.093 -10.762 894 HA SER 117 HA SER 117 -1.309 -2.395 -13.024 895 HB2 SER 117 HB2 SER 117 -3.307 -1.010 -13.428 896 HB3 SER 117 HB1 SER 117 -2.906 -0.021 -12.032 897 HG SER 117 HG SER 117 -1.320 -0.330 -14.350 898 HA PRO 118 HA PRO 118 1.489 -1.134 -9.623 899 HB2 PRO 118 HB2 PRO 118 3.556 -2.788 -10.619 900 HB3 PRO 118 HB1 PRO 118 2.490 -3.157 -9.264 901 HG2 PRO 118 HG2 PRO 118 2.555 -4.491 -11.742 902 HG3 PRO 118 HG1 PRO 118 1.303 -4.645 -10.503 903 HD2 PRO 118 HD2 PRO 118 1.312 -3.038 -13.008 904 HD3 PRO 118 HD1 PRO 118 -0.044 -3.814 -12.157 905 H ILE 119 HN ILE 119 1.290 0.796 -10.986 906 HA ILE 119 HA ILE 119 2.857 1.272 -13.280 907 HB ILE 119 HB ILE 119 1.830 3.358 -11.338 908 HG12 ILE 119 HG12 ILE 119 0.396 2.158 -13.723 909 HG13 ILE 119 HG11 ILE 119 0.046 1.757 -12.049 910 HG21 ILE 119 HG21 ILE 119 3.399 4.193 -13.019 911 HG22 ILE 119 HG22 ILE 119 1.770 4.782 -13.348 912 HG23 ILE 119 HG23 ILE 119 2.436 3.459 -14.301 913 HD11 ILE 119 HD11 ILE 119 -0.633 4.047 -11.621 914 HD12 ILE 119 HD12 ILE 119 -1.548 3.365 -12.967 915 HD13 ILE 119 HD13 ILE 119 -0.220 4.488 -13.274 916 H SER 120 HN SER 120 3.278 2.468 -9.921 917 HA SER 120 HA SER 120 5.963 3.289 -10.498 918 HB2 SER 120 HB2 SER 120 5.512 4.110 -8.074 919 HB3 SER 120 HB1 SER 120 4.720 4.892 -9.454 920 HG SER 120 HG SER 120 2.966 4.437 -8.504 921 H LEU 121 HN LEU 121 4.752 0.410 -9.812 922 HA LEU 121 HA LEU 121 6.658 -0.174 -7.646 923 HB2 LEU 121 HB2 LEU 121 3.957 -1.436 -8.051 924 HB3 LEU 121 HB1 LEU 121 5.080 -1.774 -6.752 925 HG LEU 121 HG LEU 121 3.616 0.828 -7.191 926 HD11 LEU 121 HD11 LEU 121 2.380 0.220 -5.204 927 HD12 LEU 121 HD12 LEU 121 3.253 -1.314 -5.121 928 HD13 LEU 121 HD13 LEU 121 2.180 -0.984 -6.479 929 HD21 LEU 121 HD21 LEU 121 5.454 -0.022 -4.943 930 HD22 LEU 121 HD22 LEU 121 4.483 1.445 -4.977 931 HD23 LEU 121 HD23 LEU 121 5.781 1.224 -6.148 932 HA PRO 122 HA PRO 122 8.022 -3.341 -10.508 933 HB2 PRO 122 HB2 PRO 122 9.733 -4.656 -8.893 934 HB3 PRO 122 HB1 PRO 122 10.095 -3.036 -9.506 935 HG2 PRO 122 HG2 PRO 122 9.033 -3.861 -6.840 936 HG3 PRO 122 HG1 PRO 122 10.289 -2.663 -7.209 937 HD2 PRO 122 HD2 PRO 122 7.693 -2.016 -6.641 938 HD3 PRO 122 HD1 PRO 122 8.737 -1.026 -7.673 939 H CYS 123 HN CYS 123 6.164 -3.857 -7.753 940 HA CYS 123 HA CYS 123 5.390 -6.499 -8.659 941 HB2 CYS 123 HB2 CYS 123 6.056 -5.821 -5.772 942 HB3 CYS 123 HB1 CYS 123 5.316 -7.324 -6.304 943 HG CYS 123 HG CYS 123 7.862 -7.247 -8.124 944 H CYS 124 HN CYS 124 3.262 -7.067 -7.438 945 HA CYS 124 HA CYS 124 1.529 -4.808 -7.830 946 HB2 CYS 124 HB2 CYS 124 0.883 -7.604 -6.903 947 HB3 CYS 124 HB1 CYS 124 -0.267 -6.403 -7.474 948 HG CYS 124 HG CYS 124 2.100 -6.923 -9.700 949 H LEU 125 HN LEU 125 0.250 -3.850 -6.280 950 HA LEU 125 HA LEU 125 1.301 -3.903 -3.579 951 HB2 LEU 125 HB2 LEU 125 0.601 -1.854 -4.975 952 HB3 LEU 125 HB1 LEU 125 -1.041 -2.346 -4.641 953 HG LEU 125 HG LEU 125 -0.486 -2.141 -2.190 954 HD11 LEU 125 HD11 LEU 125 1.947 -0.769 -3.316 955 HD12 LEU 125 HD12 LEU 125 1.917 -2.259 -2.365 956 HD13 LEU 125 HD13 LEU 125 1.427 -0.734 -1.632 957 HD21 LEU 125 HD21 LEU 125 -0.259 0.342 -3.879 958 HD22 LEU 125 HD22 LEU 125 -0.771 0.258 -2.185 959 HD23 LEU 125 HD23 LEU 125 -1.749 -0.498 -3.451 960 H ARG 126 HN ARG 126 0.511 -5.512 -2.282 961 HA ARG 126 HA ARG 126 -2.224 -6.426 -2.793 962 HB2 ARG 126 HB2 ARG 126 0.096 -7.929 -1.584 963 HB3 ARG 126 HB1 ARG 126 -1.542 -8.555 -1.738 964 HG2 ARG 126 HG2 ARG 126 0.219 -7.718 -4.025 965 HG3 ARG 126 HG1 ARG 126 -0.067 -9.380 -3.504 966 HD2 ARG 126 HD2 ARG 126 -2.434 -9.152 -4.012 967 HD3 ARG 126 HD1 ARG 126 -2.214 -7.466 -4.455 968 HE ARG 126 HE ARG 126 -0.464 -8.950 -5.986 969 HH11 ARG 126 HH11 ARG 126 -3.973 -8.817 -5.614 970 HH12 ARG 126 HH12 ARG 126 -4.296 -9.087 -7.264 971 HH21 ARG 126 HH21 ARG 126 -0.914 -9.300 -8.263 972 HH22 ARG 126 HH22 ARG 126 -2.519 -9.318 -8.809 973 H ILE 127 HN ILE 127 -3.584 -5.624 -1.546 974 HA ILE 127 HA ILE 127 -3.082 -4.341 0.918 975 HB ILE 127 HB ILE 127 -5.704 -5.304 -0.242 976 HG12 ILE 127 HG12 ILE 127 -4.429 -2.581 -0.539 977 HG13 ILE 127 HG11 ILE 127 -4.241 -3.845 -1.745 978 HG21 ILE 127 HG21 ILE 127 -6.665 -3.505 1.123 979 HG22 ILE 127 HG22 ILE 127 -5.055 -3.112 1.733 980 HG23 ILE 127 HG23 ILE 127 -5.784 -4.662 2.131 981 HD11 ILE 127 HD11 ILE 127 -6.638 -3.875 -2.078 982 HD12 ILE 127 HD12 ILE 127 -5.956 -2.279 -2.378 983 HD13 ILE 127 HD13 ILE 127 -6.839 -2.597 -0.872 984 HA PRO 128 HA PRO 128 -3.020 -8.062 3.446 985 HB2 PRO 128 HB2 PRO 128 -3.314 -6.083 5.639 986 HB3 PRO 128 HB1 PRO 128 -2.092 -7.341 5.430 987 HG2 PRO 128 HG2 PRO 128 -1.489 -4.769 5.041 988 HG3 PRO 128 HG1 PRO 128 -0.799 -6.039 4.018 989 HD2 PRO 128 HD2 PRO 128 -3.017 -4.126 3.424 990 HD3 PRO 128 HD1 PRO 128 -1.725 -4.732 2.364 991 H SER 129 HN SER 129 -5.006 -5.406 4.741 992 HA SER 129 HA SER 129 -7.147 -5.217 5.468 993 HB2 SER 129 HB2 SER 129 -7.472 -5.840 3.056 994 HB3 SER 129 HB1 SER 129 -7.733 -7.500 3.565 995 HG SER 129 HG SER 129 -9.729 -6.745 3.530 996 H LYS 130 HN LYS 130 -5.267 -7.262 6.580 997 HA LYS 130 HA LYS 130 -7.149 -8.528 8.369 998 HB2 LYS 130 HB2 LYS 130 -6.815 -10.182 6.572 999 HB3 LYS 130 HB1 LYS 130 -5.078 -10.105 6.822 1000 HG2 LYS 130 HG2 LYS 130 -5.945 -12.092 7.872 1001 HG3 LYS 130 HG1 LYS 130 -5.419 -10.963 9.121 1002 HD2 LYS 130 HD2 LYS 130 -7.760 -10.222 9.399 1003 HD3 LYS 130 HD1 LYS 130 -8.259 -11.413 8.199 1004 HE2 LYS 130 HE2 LYS 130 -8.649 -12.297 10.385 1005 HE3 LYS 130 HE1 LYS 130 -7.312 -13.180 9.651 1006 HZ1 LYS 130 HZ1 LYS 130 -6.867 -12.660 11.941 1007 HZ2 LYS 130 HZ2 LYS 130 -7.104 -11.017 11.671 1008 HZ3 LYS 130 HZ3 LYS 130 -5.767 -11.764 11.018 1009 H ASP 131 HN ASP 131 -6.324 -8.830 10.353 1010 HA ASP 131 HA ASP 131 -3.807 -7.653 11.007 1011 HB2 ASP 131 HB2 ASP 131 -4.559 -8.111 13.354 1012 HB3 ASP 131 HB1 ASP 131 -5.732 -7.178 12.435 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -20.221 -9.752 -11.188 2 H2 MET 1 HT2 MET 1 -20.475 -9.138 -9.633 3 H3 MET 1 HT3 MET 1 -21.745 -9.832 -10.484 4 HA MET 1 HA MET 1 -20.745 -11.960 -10.401 5 HB2 MET 1 HB2 MET 1 -18.384 -11.173 -10.436 6 HB3 MET 1 HB1 MET 1 -18.566 -10.600 -8.786 7 HG2 MET 1 HG2 MET 1 -19.004 -12.917 -8.056 8 HG3 MET 1 HG1 MET 1 -18.736 -13.462 -9.709 9 HE1 MET 1 HE1 MET 1 -16.275 -11.570 -10.615 10 HE2 MET 1 HE2 MET 1 -16.372 -13.297 -10.959 11 HE3 MET 1 HE3 MET 1 -14.921 -12.626 -10.218 12 H HIS 2 HN HIS 2 -22.579 -12.370 -9.327 13 HA HIS 2 HA HIS 2 -22.850 -11.366 -6.617 14 HB2 HIS 2 HB2 HIS 2 -24.825 -12.422 -8.596 15 HB3 HIS 2 HB1 HIS 2 -25.246 -12.261 -6.895 16 HD1 HIS 2 HD1 HIS 2 -24.527 -10.179 -9.973 17 HD2 HIS 2 HD2 HIS 2 -25.531 -9.673 -5.965 18 HE1 HIS 2 HE1 HIS 2 -25.160 -7.770 -9.708 19 H HIS 3 HN HIS 3 -21.953 -14.182 -8.155 20 HA HIS 3 HA HIS 3 -22.702 -15.903 -5.956 21 HB2 HIS 3 HB2 HIS 3 -22.560 -16.881 -8.218 22 HB3 HIS 3 HB1 HIS 3 -20.879 -16.376 -8.338 23 HD1 HIS 3 HD1 HIS 3 -19.149 -18.020 -7.517 24 HD2 HIS 3 HD2 HIS 3 -22.985 -18.958 -6.229 25 HE1 HIS 3 HE1 HIS 3 -18.975 -20.251 -6.379 26 H HIS 4 HN HIS 4 -21.666 -15.741 -4.115 27 HA HIS 4 HA HIS 4 -20.171 -15.394 -2.538 28 HB2 HIS 4 HB2 HIS 4 -18.777 -17.150 -3.457 29 HB3 HIS 4 HB1 HIS 4 -18.160 -16.082 -4.709 30 HD1 HIS 4 HD1 HIS 4 -17.935 -16.570 -0.941 31 HD2 HIS 4 HD2 HIS 4 -15.930 -14.687 -4.046 32 HE1 HIS 4 HE1 HIS 4 -15.835 -15.590 0.067 33 H HIS 5 HN HIS 5 -20.290 -13.447 -1.792 34 HA HIS 5 HA HIS 5 -18.722 -11.433 -3.154 35 HB2 HIS 5 HB2 HIS 5 -20.455 -9.699 -2.500 36 HB3 HIS 5 HB1 HIS 5 -20.969 -10.823 -3.741 37 HD1 HIS 5 HD1 HIS 5 -21.875 -9.525 -0.426 38 HD2 HIS 5 HD2 HIS 5 -22.883 -12.767 -2.803 39 HE1 HIS 5 HE1 HIS 5 -24.033 -10.429 0.508 40 H HIS 6 HN HIS 6 -17.033 -11.673 -1.848 41 HA HIS 6 HA HIS 6 -17.373 -11.575 0.998 42 HB2 HIS 6 HB2 HIS 6 -15.533 -12.928 0.072 43 HB3 HIS 6 HB1 HIS 6 -14.810 -11.487 -0.631 44 HD1 HIS 6 HD1 HIS 6 -13.015 -10.428 0.781 45 HD2 HIS 6 HD2 HIS 6 -15.648 -12.727 3.035 46 HE1 HIS 6 HE1 HIS 6 -12.173 -10.346 3.152 47 H HIS 7 HN HIS 7 -15.351 -9.493 -1.101 48 HA HIS 7 HA HIS 7 -16.372 -7.261 0.485 49 HB2 HIS 7 HB2 HIS 7 -13.917 -7.881 0.925 50 HB3 HIS 7 HB1 HIS 7 -13.592 -7.378 -0.730 51 HD1 HIS 7 HD1 HIS 7 -11.969 -5.579 0.671 52 HD2 HIS 7 HD2 HIS 7 -16.082 -5.026 0.918 53 HE1 HIS 7 HE1 HIS 7 -12.310 -3.206 1.402 54 H SER 8 HN SER 8 -17.453 -8.371 -1.840 55 HA SER 8 HA SER 8 -16.900 -6.412 -3.893 56 HB2 SER 8 HB2 SER 8 -17.394 -8.780 -4.537 57 HB3 SER 8 HB1 SER 8 -19.000 -8.618 -3.828 58 HG SER 8 HG SER 8 -17.928 -7.162 -6.001 59 H SER 9 HN SER 9 -17.450 -4.563 -2.747 60 HA SER 9 HA SER 9 -20.197 -4.380 -1.847 61 HB2 SER 9 HB2 SER 9 -19.157 -2.414 -0.524 62 HB3 SER 9 HB1 SER 9 -18.833 -4.069 0.003 63 HG SER 9 HG SER 9 -16.882 -3.034 -0.054 64 H GLY 10 HN GLY 10 -21.355 -3.573 -3.476 65 HA2 GLY 10 HA2 GLY 10 -20.402 -1.469 -5.188 66 HA3 GLY 10 HA1 GLY 10 -22.064 -2.069 -5.089 67 H LEU 11 HN LEU 11 -22.350 -1.858 -2.364 68 HA LEU 11 HA LEU 11 -22.414 1.031 -1.961 69 HB2 LEU 11 HB2 LEU 11 -23.977 -1.151 -0.543 70 HB3 LEU 11 HB1 LEU 11 -24.071 0.554 -0.174 71 HG LEU 11 HG LEU 11 -26.011 0.068 -1.348 72 HD11 LEU 11 HD11 LEU 11 -25.055 2.111 -2.068 73 HD12 LEU 11 HD12 LEU 11 -25.872 1.331 -3.425 74 HD13 LEU 11 HD13 LEU 11 -24.113 1.289 -3.312 75 HD21 LEU 11 HD21 LEU 11 -25.450 -2.111 -2.264 76 HD22 LEU 11 HD22 LEU 11 -24.375 -1.362 -3.445 77 HD23 LEU 11 HD23 LEU 11 -26.111 -1.074 -3.529 78 H VAL 12 HN VAL 12 -20.490 1.473 -1.097 79 HA VAL 12 HA VAL 12 -19.181 -0.379 0.632 80 HB VAL 12 HB VAL 12 -17.348 1.239 0.753 81 HG11 VAL 12 HG11 VAL 12 -17.410 -0.246 -1.152 82 HG12 VAL 12 HG12 VAL 12 -16.741 1.318 -1.620 83 HG13 VAL 12 HG13 VAL 12 -18.401 0.907 -2.046 84 HG21 VAL 12 HG21 VAL 12 -19.145 3.075 -0.830 85 HG22 VAL 12 HG22 VAL 12 -17.439 3.367 -0.491 86 HG23 VAL 12 HG23 VAL 12 -18.609 3.323 0.831 87 HA PRO 13 HA PRO 13 -20.471 1.149 4.597 88 HB2 PRO 13 HB2 PRO 13 -17.672 0.978 5.535 89 HB3 PRO 13 HB1 PRO 13 -19.089 0.101 6.111 90 HG2 PRO 13 HG2 PRO 13 -17.170 -1.118 4.691 91 HG3 PRO 13 HG1 PRO 13 -18.879 -1.549 4.500 92 HD2 PRO 13 HD2 PRO 13 -17.144 0.159 2.761 93 HD3 PRO 13 HD1 PRO 13 -18.350 -1.065 2.309 94 H ARG 14 HN ARG 14 -20.300 2.985 5.979 95 HA ARG 14 HA ARG 14 -19.615 5.342 4.580 96 HB2 ARG 14 HB2 ARG 14 -20.304 5.025 7.500 97 HB3 ARG 14 HB1 ARG 14 -20.248 6.547 6.633 98 HG2 ARG 14 HG2 ARG 14 -22.194 4.280 6.240 99 HG3 ARG 14 HG1 ARG 14 -22.533 5.886 6.873 100 HD2 ARG 14 HD2 ARG 14 -21.761 5.155 4.045 101 HD3 ARG 14 HD1 ARG 14 -23.309 5.773 4.604 102 HE ARG 14 HE ARG 14 -21.049 7.511 5.082 103 HH11 ARG 14 HH11 ARG 14 -23.724 6.736 2.883 104 HH12 ARG 14 HH12 ARG 14 -23.600 8.207 2.030 105 HH21 ARG 14 HH21 ARG 14 -20.916 9.478 3.946 106 HH22 ARG 14 HH22 ARG 14 -21.978 9.841 2.661 107 H GLY 15 HN GLY 15 -17.707 6.184 4.306 108 HA2 GLY 15 HA2 GLY 15 -15.902 7.349 5.426 109 HA3 GLY 15 HA1 GLY 15 -15.788 5.970 6.511 110 H SER 16 HN SER 16 -16.144 3.993 4.425 111 HA SER 16 HA SER 16 -14.908 2.646 3.126 112 HB2 SER 16 HB2 SER 16 -13.914 5.287 2.111 113 HB3 SER 16 HB1 SER 16 -13.697 3.744 1.256 114 HG SER 16 HG SER 16 -16.196 4.773 2.061 115 H ASP 17 HN ASP 17 -13.893 3.254 5.689 116 HA ASP 17 HA ASP 17 -11.138 3.915 5.524 117 HB2 ASP 17 HB2 ASP 17 -10.983 3.575 7.940 118 HB3 ASP 17 HB1 ASP 17 -12.377 4.548 7.503 119 H THR 18 HN THR 18 -9.996 2.643 4.428 120 HA THR 18 HA THR 18 -9.660 -0.016 5.499 121 HB THR 18 HB THR 18 -10.735 -0.342 3.416 122 HG1 THR 18 HG1 THR 18 -9.400 -1.721 2.552 123 HG21 THR 18 HG21 THR 18 -10.391 1.813 2.556 124 HG22 THR 18 HG22 THR 18 -9.941 0.581 1.338 125 HG23 THR 18 HG23 THR 18 -8.682 1.470 2.244 126 H SER 19 HN SER 19 -8.324 2.877 5.138 127 HA SER 19 HA SER 19 -5.585 2.319 4.651 128 HB2 SER 19 HB2 SER 19 -6.776 4.571 6.303 129 HB3 SER 19 HB1 SER 19 -5.153 4.531 5.603 130 HG SER 19 HG SER 19 -6.248 5.600 4.110 131 H LYS 20 HN LYS 20 -7.646 1.868 7.278 132 HA LYS 20 HA LYS 20 -5.755 1.797 9.373 133 HB2 LYS 20 HB2 LYS 20 -7.653 0.729 10.685 134 HB3 LYS 20 HB1 LYS 20 -7.967 2.317 10.009 135 HG2 LYS 20 HG2 LYS 20 -9.948 1.106 9.652 136 HG3 LYS 20 HG1 LYS 20 -9.134 1.077 8.094 137 HD2 LYS 20 HD2 LYS 20 -8.252 -1.188 8.687 138 HD3 LYS 20 HD1 LYS 20 -9.250 -1.134 10.141 139 HE2 LYS 20 HE2 LYS 20 -10.220 -1.019 7.284 140 HE3 LYS 20 HE1 LYS 20 -10.349 -2.389 8.372 141 HZ1 LYS 20 HZ1 LYS 20 -11.726 0.242 8.735 142 HZ2 LYS 20 HZ2 LYS 20 -11.849 -1.073 9.769 143 HZ3 LYS 20 HZ3 LYS 20 -12.411 -1.185 8.188 144 H PHE 21 HN PHE 21 -5.977 -0.274 6.875 145 HA PHE 21 HA PHE 21 -5.191 -2.614 8.422 146 HB2 PHE 21 HB2 PHE 21 -5.500 -2.225 5.440 147 HB3 PHE 21 HB1 PHE 21 -4.928 -3.707 6.173 148 HD1 PHE 21 HD2 PHE 21 -6.594 -4.759 7.950 149 HD2 PHE 21 HD1 PHE 21 -7.694 -2.017 4.897 150 HE1 PHE 21 HE2 PHE 21 -8.916 -5.582 8.052 151 HE2 PHE 21 HE1 PHE 21 -9.999 -2.823 4.975 152 HZ PHE 21 HZ PHE 21 -10.624 -4.623 6.559 153 H TRP 22 HN TRP 22 -3.774 0.022 6.647 154 HA TRP 22 HA TRP 22 -1.153 -1.303 6.787 155 HB2 TRP 22 HB2 TRP 22 -0.691 -0.320 4.466 156 HB3 TRP 22 HB1 TRP 22 -1.684 -1.763 4.582 157 HD1 TRP 22 HD1 TRP 22 -4.094 -1.640 3.613 158 HE1 TRP 22 HE1 TRP 22 -5.477 0.169 2.415 159 HE3 TRP 22 HE3 TRP 22 -1.065 2.431 4.426 160 HZ2 TRP 22 HZ2 TRP 22 -5.318 2.912 1.871 161 HZ3 TRP 22 HZ3 TRP 22 -1.777 4.598 3.527 162 HH2 TRP 22 HH2 TRP 22 -3.847 4.834 2.281 163 H TYR 23 HN TYR 23 -2.816 1.562 7.449 164 HA TYR 23 HA TYR 23 -0.438 3.178 6.991 165 HB2 TYR 23 HB2 TYR 23 -2.675 3.981 6.209 166 HB3 TYR 23 HB1 TYR 23 -3.180 4.085 7.890 167 HD1 TYR 23 HD2 TYR 23 -0.617 5.334 5.518 168 HD2 TYR 23 HD1 TYR 23 -2.802 6.075 9.080 169 HE1 TYR 23 HE2 TYR 23 0.329 7.578 5.606 170 HE2 TYR 23 HE1 TYR 23 -1.861 8.347 9.185 171 HH TYR 23 HH TYR 23 -0.275 9.779 6.604 172 H LYS 24 HN LYS 24 0.976 3.303 8.518 173 HA LYS 24 HA LYS 24 0.146 3.456 11.354 174 HB2 LYS 24 HB2 LYS 24 2.775 2.399 10.231 175 HB3 LYS 24 HB1 LYS 24 2.458 2.662 11.923 176 HG2 LYS 24 HG2 LYS 24 2.406 0.323 11.475 177 HG3 LYS 24 HG1 LYS 24 0.765 0.842 11.832 178 HD2 LYS 24 HD2 LYS 24 0.106 0.625 9.586 179 HD3 LYS 24 HD1 LYS 24 1.775 0.608 9.011 180 HE2 LYS 24 HE2 LYS 24 0.647 -1.623 8.970 181 HE3 LYS 24 HE1 LYS 24 2.139 -1.578 9.897 182 HZ1 LYS 24 HZ1 LYS 24 -0.588 -1.430 11.081 183 HZ2 LYS 24 HZ2 LYS 24 0.867 -1.498 11.922 184 HZ3 LYS 24 HZ3 LYS 24 0.372 -2.808 11.000 185 HA PRO 25 HA PRO 25 1.635 7.495 9.672 186 HB2 PRO 25 HB2 PRO 25 0.896 8.940 11.913 187 HB3 PRO 25 HB1 PRO 25 -0.087 8.677 10.471 188 HG2 PRO 25 HG2 PRO 25 -0.155 7.253 13.096 189 HG3 PRO 25 HG1 PRO 25 -1.489 7.678 12.013 190 HD2 PRO 25 HD2 PRO 25 -0.546 5.171 12.167 191 HD3 PRO 25 HD1 PRO 25 -1.103 5.856 10.623 192 H HIS 26 HN HIS 26 2.356 6.437 12.975 193 HA HIS 26 HA HIS 26 4.548 8.371 13.018 194 HB2 HIS 26 HB2 HIS 26 3.274 6.825 15.280 195 HB3 HIS 26 HB1 HIS 26 4.624 7.936 15.466 196 HD1 HIS 26 HD1 HIS 26 4.075 10.498 15.282 197 HD2 HIS 26 HD2 HIS 26 0.776 8.002 14.936 198 HE1 HIS 26 HE1 HIS 26 2.052 11.988 15.454 199 H LEU 27 HN LEU 27 4.377 5.480 11.851 200 HA LEU 27 HA LEU 27 6.403 4.089 13.331 201 HB2 LEU 27 HB2 LEU 27 4.579 3.004 11.996 202 HB3 LEU 27 HB1 LEU 27 5.419 3.517 10.548 203 HG LEU 27 HG LEU 27 7.360 2.134 11.207 204 HD11 LEU 27 HD11 LEU 27 5.540 1.271 13.446 205 HD12 LEU 27 HD12 LEU 27 7.080 2.127 13.613 206 HD13 LEU 27 HD13 LEU 27 7.043 0.478 12.997 207 HD21 LEU 27 HD21 LEU 27 4.722 0.692 11.103 208 HD22 LEU 27 HD22 LEU 27 6.299 -0.022 10.782 209 HD23 LEU 27 HD23 LEU 27 5.668 1.239 9.719 210 H SER 28 HN SER 28 8.509 3.949 12.945 211 HA SER 28 HA SER 28 9.757 6.021 11.421 212 HB2 SER 28 HB2 SER 28 10.967 3.740 12.976 213 HB3 SER 28 HB1 SER 28 11.764 5.245 12.502 214 HG SER 28 HG SER 28 10.200 6.346 13.788 215 H ARG 29 HN ARG 29 11.539 5.544 9.933 216 HA ARG 29 HA ARG 29 10.832 3.938 7.776 217 HB2 ARG 29 HB2 ARG 29 12.387 5.869 7.636 218 HB3 ARG 29 HB1 ARG 29 13.606 4.933 8.484 219 HG2 ARG 29 HG2 ARG 29 13.559 3.287 6.620 220 HG3 ARG 29 HG1 ARG 29 12.458 4.355 5.762 221 HD2 ARG 29 HD2 ARG 29 15.278 5.010 6.625 222 HD3 ARG 29 HD1 ARG 29 14.733 4.655 4.989 223 HE ARG 29 HE ARG 29 13.363 6.886 6.162 224 HH11 ARG 29 HH11 ARG 29 16.269 5.945 4.341 225 HH12 ARG 29 HH12 ARG 29 16.602 7.524 3.812 226 HH21 ARG 29 HH21 ARG 29 13.815 9.020 5.414 227 HH22 ARG 29 HH22 ARG 29 15.188 9.326 4.448 228 H ASP 30 HN ASP 30 13.300 3.373 10.246 229 HA ASP 30 HA ASP 30 14.297 0.909 9.334 230 HB2 ASP 30 HB2 ASP 30 15.379 2.334 11.053 231 HB3 ASP 30 HB1 ASP 30 14.103 1.912 12.182 232 H GLN 31 HN GLN 31 11.746 1.656 11.580 233 HA GLN 31 HA GLN 31 11.191 -1.007 12.374 234 HB2 GLN 31 HB2 GLN 31 9.613 1.541 12.648 235 HB3 GLN 31 HB1 GLN 31 9.166 0.047 13.448 236 HG2 GLN 31 HG2 GLN 31 11.295 0.036 14.648 237 HG3 GLN 31 HG1 GLN 31 11.771 1.510 13.811 238 HE21 GLN 31 HE21 GLN 31 12.020 2.621 15.700 239 HE22 GLN 31 HE22 GLN 31 10.701 3.159 16.671 240 H ALA 32 HN ALA 32 9.970 1.049 9.838 241 HA ALA 32 HA ALA 32 7.693 -0.479 9.130 242 HB1 ALA 32 HB1 ALA 32 9.420 1.281 7.408 243 HB2 ALA 32 HB2 ALA 32 8.061 1.834 8.388 244 HB3 ALA 32 HB3 ALA 32 7.787 0.748 7.016 245 H ILE 33 HN ILE 33 11.043 -0.577 8.227 246 HA ILE 33 HA ILE 33 10.830 -2.499 6.156 247 HB ILE 33 HB ILE 33 13.185 -1.779 7.911 248 HG12 ILE 33 HG12 ILE 33 12.507 -0.771 5.155 249 HG13 ILE 33 HG11 ILE 33 12.100 0.096 6.630 250 HG21 ILE 33 HG21 ILE 33 13.083 -3.152 5.215 251 HG22 ILE 33 HG22 ILE 33 13.493 -3.914 6.751 252 HG23 ILE 33 HG23 ILE 33 14.546 -2.671 6.074 253 HD11 ILE 33 HD11 ILE 33 14.447 0.217 7.198 254 HD12 ILE 33 HD12 ILE 33 14.096 0.988 5.649 255 HD13 ILE 33 HD13 ILE 33 14.873 -0.609 5.695 256 H ALA 34 HN ALA 34 11.505 -2.619 9.599 257 HA ALA 34 HA ALA 34 12.062 -5.359 9.841 258 HB1 ALA 34 HB1 ALA 34 10.745 -3.595 11.897 259 HB2 ALA 34 HB2 ALA 34 12.493 -3.719 11.622 260 HB3 ALA 34 HB3 ALA 34 11.583 -5.121 12.195 261 H LEU 35 HN LEU 35 9.106 -3.593 9.727 262 HA LEU 35 HA LEU 35 7.335 -5.628 10.553 263 HB2 LEU 35 HB2 LEU 35 7.162 -2.977 10.203 264 HB3 LEU 35 HB1 LEU 35 6.504 -3.471 8.667 265 HG LEU 35 HG LEU 35 4.752 -2.947 10.272 266 HD11 LEU 35 HD11 LEU 35 3.419 -4.977 10.141 267 HD12 LEU 35 HD12 LEU 35 4.859 -5.884 9.668 268 HD13 LEU 35 HD13 LEU 35 4.225 -4.621 8.613 269 HD21 LEU 35 HD21 LEU 35 5.891 -5.187 11.930 270 HD22 LEU 35 HD22 LEU 35 4.432 -4.260 12.287 271 HD23 LEU 35 HD23 LEU 35 6.012 -3.470 12.286 272 H LEU 36 HN LEU 36 8.681 -4.636 7.455 273 HA LEU 36 HA LEU 36 6.980 -6.462 5.984 274 HB2 LEU 36 HB2 LEU 36 9.131 -4.625 5.039 275 HB3 LEU 36 HB1 LEU 36 8.200 -5.694 4.017 276 HG LEU 36 HG LEU 36 7.142 -3.375 5.597 277 HD11 LEU 36 HD11 LEU 36 6.700 -2.475 3.375 278 HD12 LEU 36 HD12 LEU 36 7.482 -3.886 2.655 279 HD13 LEU 36 HD13 LEU 36 8.412 -2.767 3.650 280 HD21 LEU 36 HD21 LEU 36 5.708 -5.343 3.805 281 HD22 LEU 36 HD22 LEU 36 5.031 -3.838 4.423 282 HD23 LEU 36 HD23 LEU 36 5.456 -5.129 5.546 283 H LYS 37 HN LYS 37 10.195 -6.529 7.233 284 HA LYS 37 HA LYS 37 11.048 -8.570 5.433 285 HB2 LYS 37 HB2 LYS 37 12.961 -8.924 6.959 286 HB3 LYS 37 HB1 LYS 37 12.742 -7.242 6.517 287 HG2 LYS 37 HG2 LYS 37 11.571 -6.908 8.698 288 HG3 LYS 37 HG1 LYS 37 12.035 -8.548 9.131 289 HD2 LYS 37 HD2 LYS 37 13.990 -6.340 8.422 290 HD3 LYS 37 HD1 LYS 37 13.581 -6.831 10.065 291 HE2 LYS 37 HE2 LYS 37 14.415 -9.072 9.585 292 HE3 LYS 37 HE1 LYS 37 14.821 -8.555 7.951 293 HZ1 LYS 37 HZ1 LYS 37 16.692 -8.584 9.550 294 HZ2 LYS 37 HZ2 LYS 37 15.998 -7.282 10.369 295 HZ3 LYS 37 HZ3 LYS 37 16.511 -7.118 8.769 296 H ASP 38 HN ASP 38 8.923 -8.568 7.885 297 HA ASP 38 HA ASP 38 9.024 -11.407 8.525 298 HB2 ASP 38 HB2 ASP 38 8.426 -10.050 10.362 299 HB3 ASP 38 HB1 ASP 38 7.349 -9.058 9.392 300 H LYS 39 HN LYS 39 7.522 -9.268 6.267 301 HA LYS 39 HA LYS 39 5.339 -11.136 5.917 302 HB2 LYS 39 HB2 LYS 39 5.390 -8.171 5.581 303 HB3 LYS 39 HB1 LYS 39 4.071 -9.175 4.956 304 HG2 LYS 39 HG2 LYS 39 3.650 -10.068 7.138 305 HG3 LYS 39 HG1 LYS 39 5.039 -9.224 7.794 306 HD2 LYS 39 HD2 LYS 39 3.950 -7.106 7.457 307 HD3 LYS 39 HD1 LYS 39 2.593 -7.908 6.646 308 HE2 LYS 39 HE2 LYS 39 2.036 -7.442 8.992 309 HE3 LYS 39 HE1 LYS 39 2.133 -9.172 8.627 310 HZ1 LYS 39 HZ1 LYS 39 4.341 -7.659 9.962 311 HZ2 LYS 39 HZ2 LYS 39 4.266 -9.318 9.709 312 HZ3 LYS 39 HZ3 LYS 39 3.196 -8.587 10.761 313 H ASP 40 HN ASP 40 4.357 -11.323 3.866 314 HA ASP 40 HA ASP 40 6.207 -12.395 2.035 315 HB2 ASP 40 HB2 ASP 40 3.207 -12.083 1.902 316 HB3 ASP 40 HB1 ASP 40 4.140 -12.917 0.670 317 HA PRO 41 HA PRO 41 6.778 -9.253 -1.084 318 HB2 PRO 41 HB2 PRO 41 6.199 -11.341 -3.117 319 HB3 PRO 41 HB1 PRO 41 7.643 -10.338 -2.926 320 HG2 PRO 41 HG2 PRO 41 7.695 -12.924 -2.288 321 HG3 PRO 41 HG1 PRO 41 8.552 -11.721 -1.307 322 HD2 PRO 41 HD2 PRO 41 5.935 -13.073 -0.774 323 HD3 PRO 41 HD1 PRO 41 7.267 -12.708 0.338 324 H GLY 42 HN GLY 42 5.217 -7.840 -1.299 325 HA2 GLY 42 HA2 GLY 42 3.336 -7.261 -2.857 326 HA3 GLY 42 HA1 GLY 42 2.569 -8.722 -2.226 327 H ALA 43 HN ALA 43 3.933 -8.075 0.395 328 HA ALA 43 HA ALA 43 1.790 -6.560 1.515 329 HB1 ALA 43 HB1 ALA 43 2.782 -8.438 2.747 330 HB2 ALA 43 HB2 ALA 43 2.923 -6.934 3.657 331 HB3 ALA 43 HB3 ALA 43 4.324 -7.583 2.806 332 H PHE 44 HN PHE 44 1.979 -4.586 2.584 333 HA PHE 44 HA PHE 44 4.312 -2.930 2.113 334 HB2 PHE 44 HB2 PHE 44 3.119 -1.312 0.801 335 HB3 PHE 44 HB1 PHE 44 2.996 -2.867 -0.014 336 HD1 PHE 44 HD1 PHE 44 0.824 -4.211 0.333 337 HD2 PHE 44 HD2 PHE 44 1.207 -0.087 1.317 338 HE1 PHE 44 HE1 PHE 44 -1.612 -3.980 0.327 339 HE2 PHE 44 HE2 PHE 44 -1.226 0.147 1.308 340 HZ PHE 44 HZ PHE 44 -2.640 -1.787 0.822 341 H LEU 45 HN LEU 45 3.867 -0.758 3.072 342 HA LEU 45 HA LEU 45 1.498 -0.347 4.581 343 HB2 LEU 45 HB2 LEU 45 2.355 -0.246 6.790 344 HB3 LEU 45 HB1 LEU 45 2.899 -1.776 6.152 345 HG LEU 45 HG LEU 45 4.606 0.701 6.486 346 HD11 LEU 45 HD11 LEU 45 5.670 -0.586 8.266 347 HD12 LEU 45 HD12 LEU 45 4.492 -1.878 8.030 348 HD13 LEU 45 HD13 LEU 45 3.965 -0.293 8.596 349 HD21 LEU 45 HD21 LEU 45 5.350 -0.723 4.636 350 HD22 LEU 45 HD22 LEU 45 5.391 -2.107 5.734 351 HD23 LEU 45 HD23 LEU 45 6.490 -0.746 5.985 352 H ILE 46 HN ILE 46 1.414 1.817 5.425 353 HA ILE 46 HA ILE 46 3.429 3.562 4.226 354 HB ILE 46 HB ILE 46 0.415 4.009 4.135 355 HG12 ILE 46 HG12 ILE 46 2.437 3.553 1.935 356 HG13 ILE 46 HG11 ILE 46 1.202 2.416 2.452 357 HG21 ILE 46 HG21 ILE 46 1.599 6.108 4.529 358 HG22 ILE 46 HG22 ILE 46 0.914 6.067 2.903 359 HG23 ILE 46 HG23 ILE 46 2.639 5.793 3.139 360 HD11 ILE 46 HD11 ILE 46 0.703 5.093 1.152 361 HD12 ILE 46 HD12 ILE 46 -0.537 3.928 1.623 362 HD13 ILE 46 HD13 ILE 46 0.633 3.521 0.362 363 H ARG 47 HN ARG 47 4.055 5.212 5.426 364 HA ARG 47 HA ARG 47 2.627 5.879 7.903 365 HB2 ARG 47 HB2 ARG 47 4.700 6.058 9.167 366 HB3 ARG 47 HB1 ARG 47 4.510 4.429 8.574 367 HG2 ARG 47 HG2 ARG 47 6.241 6.441 7.194 368 HG3 ARG 47 HG1 ARG 47 6.837 5.465 8.541 369 HD2 ARG 47 HD2 ARG 47 6.081 3.454 7.182 370 HD3 ARG 47 HD1 ARG 47 5.895 4.570 5.829 371 HE ARG 47 HE ARG 47 8.410 4.673 7.178 372 HH11 ARG 47 HH11 ARG 47 6.627 3.429 4.409 373 HH12 ARG 47 HH12 ARG 47 7.979 2.780 3.609 374 HH21 ARG 47 HH21 ARG 47 10.317 3.760 6.084 375 HH22 ARG 47 HH22 ARG 47 10.139 2.946 4.611 376 H ASP 48 HN ASP 48 3.819 8.025 8.804 377 HA ASP 48 HA ASP 48 3.706 9.909 6.643 378 HB2 ASP 48 HB2 ASP 48 3.035 10.362 9.070 379 HB3 ASP 48 HB1 ASP 48 4.749 10.348 9.458 380 H SER 49 HN SER 49 5.447 10.661 5.506 381 HA SER 49 HA SER 49 7.884 9.200 5.932 382 HB2 SER 49 HB2 SER 49 6.968 9.477 3.626 383 HB3 SER 49 HB1 SER 49 7.222 11.213 3.764 384 HG SER 49 HG SER 49 8.956 10.284 2.696 385 H HIS 50 HN HIS 50 8.668 9.993 7.728 386 HA HIS 50 HA HIS 50 9.112 12.757 8.186 387 HB2 HIS 50 HB2 HIS 50 10.209 10.314 9.566 388 HB3 HIS 50 HB1 HIS 50 10.481 11.958 10.131 389 HD1 HIS 50 HD1 HIS 50 7.794 9.271 10.041 390 HD2 HIS 50 HD2 HIS 50 8.288 13.192 11.357 391 HE1 HIS 50 HE1 HIS 50 5.866 9.742 11.558 392 H SER 51 HN SER 51 9.970 13.079 6.288 393 HA SER 51 HA SER 51 12.830 13.328 6.232 394 HB2 SER 51 HB2 SER 51 12.442 11.022 5.244 395 HB3 SER 51 HB1 SER 51 11.505 11.780 3.965 396 HG SER 51 HG SER 51 14.092 12.743 4.424 397 H PHE 52 HN PHE 52 9.718 13.645 4.490 398 HA PHE 52 HA PHE 52 10.410 16.416 3.832 399 HB2 PHE 52 HB2 PHE 52 9.002 14.458 1.980 400 HB3 PHE 52 HB1 PHE 52 9.251 16.166 1.665 401 HD1 PHE 52 HD1 PHE 52 11.466 17.013 1.080 402 HD2 PHE 52 HD2 PHE 52 10.756 12.874 1.699 403 HE1 PHE 52 HE1 PHE 52 13.595 16.485 -0.031 404 HE2 PHE 52 HE2 PHE 52 12.853 12.330 0.606 405 HZ PHE 52 HZ PHE 52 14.300 14.137 -0.275 406 H GLN 53 HN GLN 53 8.595 17.796 4.041 407 HA GLN 53 HA GLN 53 6.537 16.676 5.696 408 HB2 GLN 53 HB2 GLN 53 5.635 18.942 5.903 409 HB3 GLN 53 HB1 GLN 53 7.354 18.907 6.241 410 HG2 GLN 53 HG2 GLN 53 7.820 19.867 4.059 411 HG3 GLN 53 HG1 GLN 53 6.102 19.837 3.660 412 HE21 GLN 53 HE21 GLN 53 8.570 21.371 5.528 413 HE22 GLN 53 HE22 GLN 53 7.646 22.730 6.031 414 H GLY 54 HN GLY 54 4.534 16.138 5.229 415 HA2 GLY 54 HA2 GLY 54 2.552 15.970 4.056 416 HA3 GLY 54 HA1 GLY 54 3.195 17.101 2.869 417 H ALA 55 HN ALA 55 4.673 14.148 3.951 418 HA ALA 55 HA ALA 55 4.105 12.908 1.381 419 HB1 ALA 55 HB1 ALA 55 6.347 13.864 1.180 420 HB2 ALA 55 HB2 ALA 55 6.437 12.103 1.253 421 HB3 ALA 55 HB3 ALA 55 6.836 13.067 2.672 422 H TYR 56 HN TYR 56 3.884 10.745 1.500 423 HA TYR 56 HA TYR 56 3.962 9.533 4.200 424 HB2 TYR 56 HB2 TYR 56 2.224 8.710 1.863 425 HB3 TYR 56 HB1 TYR 56 2.130 8.128 3.519 426 HD1 TYR 56 HD1 TYR 56 1.672 10.025 5.320 427 HD2 TYR 56 HD2 TYR 56 0.731 10.310 1.186 428 HE1 TYR 56 HE1 TYR 56 0.006 11.765 5.818 429 HE2 TYR 56 HE2 TYR 56 -0.925 12.042 1.671 430 HH TYR 56 HH TYR 56 -1.055 13.644 4.610 431 H GLY 57 HN GLY 57 5.116 7.718 4.363 432 HA2 GLY 57 HA2 GLY 57 6.655 7.070 1.964 433 HA3 GLY 57 HA1 GLY 57 7.184 6.723 3.600 434 H LEU 58 HN LEU 58 6.137 5.359 0.848 435 HA LEU 58 HA LEU 58 4.667 3.183 2.094 436 HB2 LEU 58 HB2 LEU 58 3.695 4.020 0.065 437 HB3 LEU 58 HB1 LEU 58 5.230 3.950 -0.773 438 HG LEU 58 HG LEU 58 5.133 1.450 -0.563 439 HD11 LEU 58 HD11 LEU 58 2.981 0.413 -0.170 440 HD12 LEU 58 HD12 LEU 58 2.337 1.963 0.363 441 HD13 LEU 58 HD13 LEU 58 3.641 1.190 1.269 442 HD21 LEU 58 HD21 LEU 58 2.889 2.762 -2.073 443 HD22 LEU 58 HD22 LEU 58 3.511 1.130 -2.331 444 HD23 LEU 58 HD23 LEU 58 4.549 2.523 -2.640 445 H ALA 59 HN ALA 59 5.576 1.280 2.362 446 HA ALA 59 HA ALA 59 8.175 0.787 1.123 447 HB1 ALA 59 HB1 ALA 59 8.461 1.058 3.557 448 HB2 ALA 59 HB2 ALA 59 8.703 -0.626 3.093 449 HB3 ALA 59 HB3 ALA 59 7.190 -0.130 3.841 450 H LEU 60 HN LEU 60 8.181 -0.996 -0.079 451 HA LEU 60 HA LEU 60 5.854 -2.796 0.110 452 HB2 LEU 60 HB2 LEU 60 5.486 -1.386 -1.793 453 HB3 LEU 60 HB1 LEU 60 7.120 -1.630 -2.365 454 HG LEU 60 HG LEU 60 6.576 -4.016 -2.794 455 HD11 LEU 60 HD11 LEU 60 4.230 -4.717 -2.865 456 HD12 LEU 60 HD12 LEU 60 3.773 -3.192 -2.100 457 HD13 LEU 60 HD13 LEU 60 4.781 -4.347 -1.231 458 HD21 LEU 60 HD21 LEU 60 5.209 -3.608 -4.795 459 HD22 LEU 60 HD22 LEU 60 6.478 -2.401 -4.601 460 HD23 LEU 60 HD23 LEU 60 4.814 -2.005 -4.177 461 H LYS 61 HN LYS 61 6.355 -4.872 0.208 462 HA LYS 61 HA LYS 61 9.111 -5.672 -0.174 463 HB2 LYS 61 HB2 LYS 61 6.773 -6.774 1.177 464 HB3 LYS 61 HB1 LYS 61 7.752 -7.984 0.348 465 HG2 LYS 61 HG2 LYS 61 8.800 -5.962 2.251 466 HG3 LYS 61 HG1 LYS 61 8.284 -7.599 2.729 467 HD2 LYS 61 HD2 LYS 61 10.409 -6.989 0.666 468 HD3 LYS 61 HD1 LYS 61 10.780 -7.313 2.363 469 HE2 LYS 61 HE2 LYS 61 9.458 -9.214 0.393 470 HE3 LYS 61 HE1 LYS 61 11.104 -9.295 1.013 471 HZ1 LYS 61 HZ1 LYS 61 9.633 -10.845 2.138 472 HZ2 LYS 61 HZ2 LYS 61 8.661 -9.625 2.713 473 HZ3 LYS 61 HZ3 LYS 61 10.255 -9.750 3.220 474 H VAL 62 HN VAL 62 9.762 -6.199 -2.084 475 HA VAL 62 HA VAL 62 7.833 -7.342 -3.955 476 HB VAL 62 HB VAL 62 9.398 -6.769 -5.740 477 HG11 VAL 62 HG11 VAL 62 8.945 -4.521 -3.825 478 HG12 VAL 62 HG12 VAL 62 7.828 -5.080 -5.079 479 HG13 VAL 62 HG13 VAL 62 9.356 -4.313 -5.530 480 HG21 VAL 62 HG21 VAL 62 11.522 -7.106 -4.554 481 HG22 VAL 62 HG22 VAL 62 11.202 -5.679 -3.565 482 HG23 VAL 62 HG23 VAL 62 11.473 -5.506 -5.297 483 H ALA 63 HN ALA 63 8.998 -9.033 -5.466 484 HA ALA 63 HA ALA 63 9.929 -11.076 -3.708 485 HB1 ALA 63 HB1 ALA 63 9.878 -11.033 -6.742 486 HB2 ALA 63 HB2 ALA 63 8.570 -11.601 -5.708 487 HB3 ALA 63 HB3 ALA 63 10.112 -12.454 -5.723 488 H THR 64 HN THR 64 11.328 -9.352 -6.449 489 HA THR 64 HA THR 64 13.851 -9.086 -5.117 490 HB THR 64 HB THR 64 15.004 -9.866 -7.293 491 HG1 THR 64 HG1 THR 64 13.354 -10.136 -8.659 492 HG21 THR 64 HG21 THR 64 15.224 -11.148 -5.210 493 HG22 THR 64 HG22 THR 64 15.099 -12.237 -6.593 494 HG23 THR 64 HG23 THR 64 13.701 -11.970 -5.548 495 HA PRO 65 HA PRO 65 13.324 -5.312 -7.528 496 HB2 PRO 65 HB2 PRO 65 16.206 -4.768 -7.073 497 HB3 PRO 65 HB1 PRO 65 14.807 -3.824 -6.564 498 HG2 PRO 65 HG2 PRO 65 16.257 -5.223 -4.773 499 HG3 PRO 65 HG1 PRO 65 14.502 -5.040 -4.613 500 HD2 PRO 65 HD2 PRO 65 16.056 -7.315 -5.834 501 HD3 PRO 65 HD1 PRO 65 14.738 -7.413 -4.575 502 HA PRO 66 HA PRO 66 16.511 -6.766 -10.969 503 HB2 PRO 66 HB2 PRO 66 17.578 -9.309 -9.924 504 HB3 PRO 66 HB1 PRO 66 18.421 -7.906 -10.563 505 HG2 PRO 66 HG2 PRO 66 18.497 -8.656 -8.058 506 HG3 PRO 66 HG1 PRO 66 18.778 -6.989 -8.620 507 HD2 PRO 66 HD2 PRO 66 16.458 -8.262 -7.374 508 HD3 PRO 66 HD1 PRO 66 17.098 -6.593 -7.219 509 HA PRO 67 HA PRO 67 13.467 -9.584 -12.689 510 HB2 PRO 67 HB2 PRO 67 15.808 -11.078 -13.807 511 HB3 PRO 67 HB1 PRO 67 14.328 -10.548 -14.618 512 HG2 PRO 67 HG2 PRO 67 16.559 -9.193 -14.979 513 HG3 PRO 67 HG1 PRO 67 15.033 -8.328 -14.725 514 HD2 PRO 67 HD2 PRO 67 17.300 -8.751 -12.836 515 HD3 PRO 67 HD1 PRO 67 16.239 -7.351 -13.021 516 H SER 68 HN SER 68 16.313 -11.083 -11.271 517 HA SER 68 HA SER 68 14.629 -12.863 -9.733 518 HB2 SER 68 HB2 SER 68 16.576 -14.100 -11.696 519 HB3 SER 68 HB1 SER 68 15.732 -14.981 -10.425 520 HG SER 68 HG SER 68 14.052 -13.468 -11.883 521 H ALA 69 HN ALA 69 17.535 -11.256 -10.184 522 HA ALA 69 HA ALA 69 19.137 -10.639 -8.796 523 HB1 ALA 69 HB1 ALA 69 17.316 -10.184 -7.268 524 HB2 ALA 69 HB2 ALA 69 18.778 -10.662 -6.411 525 HB3 ALA 69 HB3 ALA 69 17.438 -11.814 -6.592 526 H GLN 70 HN GLN 70 19.378 -13.009 -10.146 527 HA GLN 70 HA GLN 70 20.654 -14.969 -8.640 528 HB2 GLN 70 HB2 GLN 70 21.413 -14.096 -11.449 529 HB3 GLN 70 HB1 GLN 70 21.967 -15.562 -10.673 530 HG2 GLN 70 HG2 GLN 70 20.286 -16.390 -11.994 531 HG3 GLN 70 HG1 GLN 70 19.396 -16.067 -10.516 532 HE21 GLN 70 HE21 GLN 70 18.517 -16.238 -13.280 533 HE22 GLN 70 HE22 GLN 70 17.719 -14.749 -13.629 534 HA PRO 71 HA PRO 71 24.804 -12.401 -9.021 535 HB2 PRO 71 HB2 PRO 71 24.459 -9.686 -9.304 536 HB3 PRO 71 HB1 PRO 71 24.839 -10.770 -10.643 537 HG2 PRO 71 HG2 PRO 71 22.186 -9.693 -9.773 538 HG3 PRO 71 HG1 PRO 71 22.844 -9.844 -11.412 539 HD2 PRO 71 HD2 PRO 71 21.077 -11.610 -10.478 540 HD3 PRO 71 HD1 PRO 71 22.434 -12.130 -11.500 541 H TRP 72 HN TRP 72 25.515 -12.160 -7.027 542 HA TRP 72 HA TRP 72 23.755 -11.068 -4.969 543 HB2 TRP 72 HB2 TRP 72 24.549 -13.336 -4.616 544 HB3 TRP 72 HB1 TRP 72 26.217 -12.801 -4.815 545 HD1 TRP 72 HD1 TRP 72 27.373 -11.625 -2.759 546 HE1 TRP 72 HE1 TRP 72 26.767 -11.456 -0.289 547 HE3 TRP 72 HE3 TRP 72 22.509 -13.174 -3.032 548 HZ2 TRP 72 HZ2 TRP 72 24.505 -11.942 1.364 549 HZ3 TRP 72 HZ3 TRP 72 21.199 -13.296 -0.954 550 HH2 TRP 72 HH2 TRP 72 22.172 -12.695 1.191 551 H LYS 73 HN LYS 73 24.318 -9.350 -3.771 552 HA LYS 73 HA LYS 73 27.008 -8.156 -4.059 553 HB2 LYS 73 HB2 LYS 73 24.349 -6.708 -4.217 554 HB3 LYS 73 HB1 LYS 73 25.893 -5.906 -4.041 555 HG2 LYS 73 HG2 LYS 73 25.133 -7.627 -6.385 556 HG3 LYS 73 HG1 LYS 73 24.963 -5.871 -6.337 557 HD2 LYS 73 HD2 LYS 73 27.396 -5.711 -5.887 558 HD3 LYS 73 HD1 LYS 73 27.512 -7.460 -6.109 559 HE2 LYS 73 HE2 LYS 73 26.508 -5.502 -8.159 560 HE3 LYS 73 HE1 LYS 73 28.131 -6.182 -8.128 561 HZ1 LYS 73 HZ1 LYS 73 27.183 -8.368 -8.438 562 HZ2 LYS 73 HZ2 LYS 73 26.702 -7.341 -9.672 563 HZ3 LYS 73 HZ3 LYS 73 25.616 -7.728 -8.447 564 H GLY 74 HN GLY 74 25.369 -9.699 -1.994 565 HA2 GLY 74 HA2 GLY 74 25.266 -9.635 0.334 566 HA3 GLY 74 HA1 GLY 74 25.948 -7.998 0.287 567 H ASP 75 HN ASP 75 23.090 -9.777 -0.707 568 HA ASP 75 HA ASP 75 21.547 -7.306 -0.517 569 HB2 ASP 75 HB2 ASP 75 20.836 -9.901 -1.863 570 HB3 ASP 75 HB1 ASP 75 19.951 -8.388 -1.983 571 HA PRO 76 HA PRO 76 19.835 -9.569 3.026 572 HB2 PRO 76 HB2 PRO 76 19.013 -7.405 4.401 573 HB3 PRO 76 HB1 PRO 76 20.708 -7.899 4.386 574 HG2 PRO 76 HG2 PRO 76 19.352 -5.742 2.835 575 HG3 PRO 76 HG1 PRO 76 20.936 -5.726 3.634 576 HD2 PRO 76 HD2 PRO 76 20.586 -6.138 0.940 577 HD3 PRO 76 HD1 PRO 76 21.971 -6.742 1.856 578 H VAL 77 HN VAL 77 17.576 -9.324 4.044 579 HA VAL 77 HA VAL 77 15.624 -9.393 1.959 580 HB VAL 77 HB VAL 77 15.299 -10.926 3.813 581 HG11 VAL 77 HG11 VAL 77 15.118 -8.517 5.613 582 HG12 VAL 77 HG12 VAL 77 16.438 -9.680 5.570 583 HG13 VAL 77 HG13 VAL 77 14.833 -10.187 6.101 584 HG21 VAL 77 HG21 VAL 77 13.028 -10.417 4.542 585 HG22 VAL 77 HG22 VAL 77 13.230 -10.079 2.813 586 HG23 VAL 77 HG23 VAL 77 13.240 -8.757 3.996 587 H GLU 78 HN GLU 78 16.641 -7.019 4.218 588 HA GLU 78 HA GLU 78 14.500 -5.254 3.986 589 HB2 GLU 78 HB2 GLU 78 17.402 -4.687 4.598 590 HB3 GLU 78 HB1 GLU 78 16.064 -3.591 4.901 591 HG2 GLU 78 HG2 GLU 78 16.206 -4.508 6.993 592 HG3 GLU 78 HG1 GLU 78 15.150 -5.676 6.249 593 H GLN 79 HN GLN 79 17.045 -6.028 1.840 594 HA GLN 79 HA GLN 79 16.997 -3.586 0.306 595 HB2 GLN 79 HB2 GLN 79 18.943 -5.121 0.495 596 HB3 GLN 79 HB1 GLN 79 18.059 -6.307 -0.458 597 HG2 GLN 79 HG2 GLN 79 19.628 -5.130 -1.820 598 HG3 GLN 79 HG1 GLN 79 17.989 -4.705 -2.322 599 HE21 GLN 79 HE21 GLN 79 18.668 -2.762 -3.241 600 HE22 GLN 79 HE22 GLN 79 19.176 -1.419 -2.279 601 H LEU 80 HN LEU 80 15.122 -6.413 0.541 602 HA LEU 80 HA LEU 80 14.069 -6.337 -2.149 603 HB2 LEU 80 HB2 LEU 80 13.203 -7.951 0.259 604 HB3 LEU 80 HB1 LEU 80 12.663 -8.206 -1.387 605 HG LEU 80 HG LEU 80 15.506 -8.576 -0.427 606 HD11 LEU 80 HD11 LEU 80 15.113 -10.937 -0.641 607 HD12 LEU 80 HD12 LEU 80 13.468 -10.642 -1.174 608 HD13 LEU 80 HD13 LEU 80 13.935 -10.250 0.486 609 HD21 LEU 80 HD21 LEU 80 15.835 -9.639 -2.620 610 HD22 LEU 80 HD22 LEU 80 15.417 -7.937 -2.743 611 HD23 LEU 80 HD23 LEU 80 14.192 -9.168 -3.071 612 H VAL 81 HN VAL 81 13.661 -4.616 0.598 613 HA VAL 81 HA VAL 81 10.845 -4.040 0.193 614 HB VAL 81 HB VAL 81 12.812 -2.894 2.213 615 HG11 VAL 81 HG11 VAL 81 9.816 -2.600 2.029 616 HG12 VAL 81 HG12 VAL 81 11.004 -1.330 1.745 617 HG13 VAL 81 HG13 VAL 81 10.815 -2.020 3.362 618 HG21 VAL 81 HG21 VAL 81 10.642 -4.965 2.562 619 HG22 VAL 81 HG22 VAL 81 11.613 -4.276 3.863 620 HG23 VAL 81 HG23 VAL 81 12.378 -5.259 2.610 621 H ARG 82 HN ARG 82 10.310 -2.579 -1.200 622 HA ARG 82 HA ARG 82 12.232 -0.650 -2.270 623 HB2 ARG 82 HB2 ARG 82 9.374 -1.271 -3.016 624 HB3 ARG 82 HB1 ARG 82 10.391 -0.100 -3.829 625 HG2 ARG 82 HG2 ARG 82 11.000 -3.041 -3.683 626 HG3 ARG 82 HG1 ARG 82 10.108 -2.285 -4.998 627 HD2 ARG 82 HD2 ARG 82 12.316 -2.468 -5.769 628 HD3 ARG 82 HD1 ARG 82 12.124 -0.785 -5.302 629 HE ARG 82 HE ARG 82 13.204 -2.211 -3.140 630 HH11 ARG 82 HH11 ARG 82 14.106 -0.888 -6.311 631 HH12 ARG 82 HH12 ARG 82 15.774 -1.004 -6.059 632 HH21 ARG 82 HH21 ARG 82 15.550 -2.329 -2.757 633 HH22 ARG 82 HH22 ARG 82 16.608 -1.843 -3.993 634 H HIS 83 HN HIS 83 11.930 1.563 -2.069 635 HA HIS 83 HA HIS 83 9.774 2.384 -0.285 636 HB2 HIS 83 HB2 HIS 83 12.640 3.233 -0.296 637 HB3 HIS 83 HB1 HIS 83 11.392 4.321 0.304 638 HD1 HIS 83 HD1 HIS 83 13.456 1.455 1.329 639 HD2 HIS 83 HD2 HIS 83 9.926 3.283 2.503 640 HE1 HIS 83 HE1 HIS 83 13.006 0.650 3.663 641 H PHE 84 HN PHE 84 8.437 3.750 -1.011 642 HA PHE 84 HA PHE 84 9.217 5.712 -3.019 643 HB2 PHE 84 HB2 PHE 84 6.750 3.938 -3.146 644 HB3 PHE 84 HB1 PHE 84 6.987 5.359 -4.146 645 HD1 PHE 84 HD2 PHE 84 8.804 5.354 -5.846 646 HD2 PHE 84 HD1 PHE 84 7.706 1.855 -3.696 647 HE1 PHE 84 HE2 PHE 84 9.949 3.970 -7.527 648 HE2 PHE 84 HE1 PHE 84 8.849 0.461 -5.372 649 HZ PHE 84 HZ PHE 84 9.970 1.519 -7.293 650 H LEU 85 HN LEU 85 8.402 7.681 -2.433 651 HA LEU 85 HA LEU 85 6.538 7.560 -0.207 652 HB2 LEU 85 HB2 LEU 85 7.176 9.838 0.422 653 HB3 LEU 85 HB1 LEU 85 8.516 8.727 0.502 654 HG LEU 85 HG LEU 85 8.166 10.577 -1.860 655 HD11 LEU 85 HD11 LEU 85 9.552 11.076 0.764 656 HD12 LEU 85 HD12 LEU 85 8.147 11.950 0.146 657 HD13 LEU 85 HD13 LEU 85 9.710 12.095 -0.666 658 HD21 LEU 85 HD21 LEU 85 10.543 9.279 -0.558 659 HD22 LEU 85 HD22 LEU 85 10.586 10.313 -1.987 660 HD23 LEU 85 HD23 LEU 85 9.789 8.733 -2.060 661 H ILE 86 HN ILE 86 4.751 8.698 -0.211 662 HA ILE 86 HA ILE 86 3.907 9.581 -2.846 663 HB ILE 86 HB ILE 86 2.216 9.024 -0.383 664 HG12 ILE 86 HG12 ILE 86 1.329 7.116 -1.956 665 HG13 ILE 86 HG11 ILE 86 2.890 7.308 -2.739 666 HG21 ILE 86 HG21 ILE 86 1.227 10.648 -1.799 667 HG22 ILE 86 HG22 ILE 86 0.345 9.117 -1.928 668 HG23 ILE 86 HG23 ILE 86 1.453 9.617 -3.211 669 HD11 ILE 86 HD11 ILE 86 4.007 6.782 -0.634 670 HD12 ILE 86 HD12 ILE 86 2.912 5.499 -1.157 671 HD13 ILE 86 HD13 ILE 86 2.427 6.597 0.138 672 H GLU 87 HN GLU 87 3.744 11.657 -3.198 673 HA GLU 87 HA GLU 87 4.052 13.486 -0.930 674 HB2 GLU 87 HB2 GLU 87 4.380 13.951 -3.913 675 HB3 GLU 87 HB1 GLU 87 4.571 15.191 -2.693 676 HG2 GLU 87 HG2 GLU 87 6.436 13.833 -1.791 677 HG3 GLU 87 HG1 GLU 87 6.247 12.777 -3.194 678 H THR 88 HN THR 88 2.463 14.975 -0.480 679 HA THR 88 HA THR 88 0.265 15.088 -2.344 680 HB THR 88 HB THR 88 -0.418 13.533 -0.583 681 HG1 THR 88 HG1 THR 88 -1.853 15.245 -1.477 682 HG21 THR 88 HG21 THR 88 -0.708 14.283 1.739 683 HG22 THR 88 HG22 THR 88 0.104 15.804 1.335 684 HG23 THR 88 HG23 THR 88 0.978 14.269 1.232 685 H GLY 89 HN GLY 89 -0.955 17.011 -2.192 686 HA2 GLY 89 HA2 GLY 89 -0.441 19.150 -0.534 687 HA3 GLY 89 HA1 GLY 89 0.578 19.314 -1.973 688 HA PRO 90 HA PRO 90 -3.530 21.036 -3.147 689 HB2 PRO 90 HB2 PRO 90 -2.527 22.878 -4.889 690 HB3 PRO 90 HB1 PRO 90 -2.692 23.170 -3.152 691 HG2 PRO 90 HG2 PRO 90 -0.283 22.341 -4.713 692 HG3 PRO 90 HG1 PRO 90 -0.416 23.573 -3.442 693 HD2 PRO 90 HD2 PRO 90 0.564 21.124 -2.957 694 HD3 PRO 90 HD1 PRO 90 -0.410 21.989 -1.748 695 H LYS 91 HN LYS 91 -0.968 19.555 -4.840 696 HA LYS 91 HA LYS 91 -2.371 19.392 -7.375 697 HB2 LYS 91 HB2 LYS 91 0.200 18.103 -6.455 698 HB3 LYS 91 HB1 LYS 91 -0.461 17.967 -8.076 699 HG2 LYS 91 HG2 LYS 91 0.417 20.516 -6.742 700 HG3 LYS 91 HG1 LYS 91 1.334 19.621 -7.952 701 HD2 LYS 91 HD2 LYS 91 -0.582 19.961 -9.527 702 HD3 LYS 91 HD1 LYS 91 -1.330 20.999 -8.312 703 HE2 LYS 91 HE2 LYS 91 -0.187 22.382 -9.889 704 HE3 LYS 91 HE1 LYS 91 0.695 22.420 -8.362 705 HZ1 LYS 91 HZ1 LYS 91 2.246 22.163 -10.204 706 HZ2 LYS 91 HZ2 LYS 91 1.402 20.819 -10.756 707 HZ3 LYS 91 HZ3 LYS 91 2.228 20.730 -9.318 708 H GLY 92 HN GLY 92 -2.539 17.816 -4.472 709 HA2 GLY 92 HA2 GLY 92 -4.221 16.137 -4.165 710 HA3 GLY 92 HA1 GLY 92 -3.727 15.438 -5.719 711 H VAL 93 HN VAL 93 -3.129 13.488 -5.063 712 HA VAL 93 HA VAL 93 -0.819 13.403 -3.286 713 HB VAL 93 HB VAL 93 -2.919 12.787 -2.072 714 HG11 VAL 93 HG11 VAL 93 -3.069 10.454 -3.935 715 HG12 VAL 93 HG12 VAL 93 -4.208 11.794 -3.811 716 HG13 VAL 93 HG13 VAL 93 -4.029 10.657 -2.469 717 HG21 VAL 93 HG21 VAL 93 -1.045 10.491 -2.385 718 HG22 VAL 93 HG22 VAL 93 -2.117 10.769 -1.007 719 HG23 VAL 93 HG23 VAL 93 -0.780 11.872 -1.340 720 H LYS 94 HN LYS 94 0.880 12.282 -4.198 721 HA LYS 94 HA LYS 94 0.281 10.285 -6.220 722 HB2 LYS 94 HB2 LYS 94 1.528 11.229 -8.013 723 HB3 LYS 94 HB1 LYS 94 0.357 12.422 -7.496 724 HG2 LYS 94 HG2 LYS 94 3.318 12.427 -6.919 725 HG3 LYS 94 HG1 LYS 94 2.517 13.380 -8.162 726 HD2 LYS 94 HD2 LYS 94 1.205 14.427 -6.226 727 HD3 LYS 94 HD1 LYS 94 2.397 13.668 -5.170 728 HE2 LYS 94 HE2 LYS 94 2.945 15.639 -7.387 729 HE3 LYS 94 HE1 LYS 94 3.033 15.968 -5.663 730 HZ1 LYS 94 HZ1 LYS 94 5.192 15.598 -6.787 731 HZ2 LYS 94 HZ2 LYS 94 4.800 14.009 -7.089 732 HZ3 LYS 94 HZ3 LYS 94 5.014 14.545 -5.522 733 H ILE 95 HN ILE 95 1.785 8.744 -6.548 734 HA ILE 95 HA ILE 95 3.778 8.388 -4.548 735 HB ILE 95 HB ILE 95 3.351 6.836 -7.124 736 HG12 ILE 95 HG12 ILE 95 2.354 6.209 -4.337 737 HG13 ILE 95 HG11 ILE 95 1.345 6.811 -5.654 738 HG21 ILE 95 HG21 ILE 95 4.860 6.086 -4.613 739 HG22 ILE 95 HG22 ILE 95 5.572 6.480 -6.179 740 HG23 ILE 95 HG23 ILE 95 4.587 5.028 -5.998 741 HD11 ILE 95 HD11 ILE 95 1.082 4.410 -5.346 742 HD12 ILE 95 HD12 ILE 95 2.816 4.182 -5.567 743 HD13 ILE 95 HD13 ILE 95 1.822 4.753 -6.909 744 H LYS 96 HN LYS 96 5.801 9.066 -4.594 745 HA LYS 96 HA LYS 96 6.913 10.447 -6.830 746 HB2 LYS 96 HB2 LYS 96 7.337 10.869 -4.328 747 HB3 LYS 96 HB1 LYS 96 8.349 9.434 -4.376 748 HG2 LYS 96 HG2 LYS 96 9.728 11.350 -4.543 749 HG3 LYS 96 HG1 LYS 96 9.700 10.570 -6.129 750 HD2 LYS 96 HD2 LYS 96 8.160 12.137 -6.980 751 HD3 LYS 96 HD1 LYS 96 7.840 12.801 -5.375 752 HE2 LYS 96 HE2 LYS 96 9.203 14.310 -6.475 753 HE3 LYS 96 HE1 LYS 96 10.187 13.480 -5.286 754 HZ1 LYS 96 HZ1 LYS 96 11.101 12.035 -7.046 755 HZ2 LYS 96 HZ2 LYS 96 11.384 13.654 -7.426 756 HZ3 LYS 96 HZ3 LYS 96 10.145 12.825 -8.191 757 H GLY 97 HN GLY 97 7.211 9.088 -8.496 758 HA2 GLY 97 HA2 GLY 97 9.166 7.602 -9.182 759 HA3 GLY 97 HA1 GLY 97 8.513 6.516 -7.960 760 H CYS 98 HN CYS 98 5.955 8.111 -9.278 761 HA CYS 98 HA CYS 98 5.342 5.892 -11.053 762 HB2 CYS 98 HB2 CYS 98 3.621 6.665 -9.420 763 HB3 CYS 98 HB1 CYS 98 3.638 8.246 -10.190 764 HG CYS 98 HG CYS 98 1.305 7.065 -11.035 765 HA PRO 99 HA PRO 99 6.601 8.860 -14.198 766 HB2 PRO 99 HB2 PRO 99 7.586 7.118 -15.976 767 HB3 PRO 99 HB1 PRO 99 8.479 7.569 -14.523 768 HG2 PRO 99 HG2 PRO 99 7.051 5.053 -15.149 769 HG3 PRO 99 HG1 PRO 99 8.432 5.321 -14.080 770 HD2 PRO 99 HD2 PRO 99 5.699 5.049 -13.333 771 HD3 PRO 99 HD1 PRO 99 7.062 5.477 -12.283 772 H SER 100 HN SER 100 4.292 6.408 -14.249 773 HA SER 100 HA SER 100 3.456 6.588 -16.966 774 HB2 SER 100 HB2 SER 100 2.981 4.627 -15.415 775 HB3 SER 100 HB1 SER 100 1.825 5.658 -14.581 776 HG SER 100 HG SER 100 0.558 5.716 -16.416 777 H GLU 101 HN GLU 101 1.502 7.433 -14.107 778 HA GLU 101 HA GLU 101 1.202 10.136 -14.434 779 HB2 GLU 101 HB2 GLU 101 0.091 9.605 -16.604 780 HB3 GLU 101 HB1 GLU 101 -1.039 8.562 -15.760 781 HG2 GLU 101 HG2 GLU 101 -2.059 10.689 -16.314 782 HG3 GLU 101 HG1 GLU 101 -1.941 10.467 -14.569 783 HA PRO 102 HA PRO 102 -0.875 8.593 -10.725 784 HB2 PRO 102 HB2 PRO 102 0.538 9.858 -8.938 785 HB3 PRO 102 HB1 PRO 102 1.324 8.636 -9.917 786 HG2 PRO 102 HG2 PRO 102 1.461 11.578 -10.168 787 HG3 PRO 102 HG1 PRO 102 2.757 10.370 -10.360 788 HD2 PRO 102 HD2 PRO 102 1.193 11.540 -12.438 789 HD3 PRO 102 HD1 PRO 102 2.287 10.147 -12.601 790 H TYR 103 HN TYR 103 -0.496 11.135 -8.904 791 HA TYR 103 HA TYR 103 -1.796 12.617 -7.993 792 HB2 TYR 103 HB2 TYR 103 -2.480 13.348 -10.834 793 HB3 TYR 103 HB1 TYR 103 -2.840 14.316 -9.393 794 HD1 TYR 103 HD1 TYR 103 -1.015 15.498 -8.178 795 HD2 TYR 103 HD2 TYR 103 -0.249 13.182 -11.682 796 HE1 TYR 103 HE1 TYR 103 1.200 16.476 -8.350 797 HE2 TYR 103 HE2 TYR 103 1.971 14.161 -11.843 798 HH TYR 103 HH TYR 103 3.126 16.185 -11.110 799 H PHE 104 HN PHE 104 -3.010 11.360 -6.909 800 HA PHE 104 HA PHE 104 -5.577 10.523 -8.035 801 HB2 PHE 104 HB2 PHE 104 -3.959 9.419 -5.727 802 HB3 PHE 104 HB1 PHE 104 -5.521 8.806 -6.248 803 HD1 PHE 104 HD1 PHE 104 -1.939 9.204 -7.306 804 HD2 PHE 104 HD2 PHE 104 -5.669 7.226 -7.984 805 HE1 PHE 104 HE1 PHE 104 -0.832 7.645 -8.807 806 HE2 PHE 104 HE2 PHE 104 -4.539 5.657 -9.505 807 HZ PHE 104 HZ PHE 104 -2.123 5.861 -9.919 808 H GLY 105 HN GLY 105 -7.168 10.278 -6.085 809 HA2 GLY 105 HA2 GLY 105 -7.317 12.891 -4.807 810 HA3 GLY 105 HA1 GLY 105 -8.575 11.664 -4.812 811 H SER 106 HN SER 106 -7.259 9.501 -3.744 812 HA SER 106 HA SER 106 -6.374 10.427 -1.108 813 HB2 SER 106 HB2 SER 106 -8.396 8.205 -1.557 814 HB3 SER 106 HB1 SER 106 -7.908 8.917 -0.017 815 HG SER 106 HG SER 106 -8.938 10.818 -0.581 816 H LEU 107 HN LEU 107 -5.182 8.661 0.065 817 HA LEU 107 HA LEU 107 -3.323 7.292 -1.498 818 HB2 LEU 107 HB2 LEU 107 -4.172 6.868 1.358 819 HB3 LEU 107 HB1 LEU 107 -2.918 5.902 0.613 820 HG LEU 107 HG LEU 107 -2.790 8.903 0.967 821 HD11 LEU 107 HD11 LEU 107 -1.438 6.685 2.494 822 HD12 LEU 107 HD12 LEU 107 -2.731 7.717 3.108 823 HD13 LEU 107 HD13 LEU 107 -1.161 8.414 2.707 824 HD21 LEU 107 HD21 LEU 107 -1.492 8.106 -0.938 825 HD22 LEU 107 HD22 LEU 107 -0.735 6.883 0.082 826 HD23 LEU 107 HD23 LEU 107 -0.434 8.596 0.383 827 H SER 108 HN SER 108 -6.251 6.117 0.004 828 HA SER 108 HA SER 108 -6.086 3.424 -0.548 829 HB2 SER 108 HB2 SER 108 -7.775 4.490 0.909 830 HB3 SER 108 HB1 SER 108 -8.562 5.171 -0.508 831 HG SER 108 HG SER 108 -9.461 3.211 0.376 832 H ALA 109 HN ALA 109 -6.873 6.078 -2.694 833 HA ALA 109 HA ALA 109 -8.130 4.585 -4.736 834 HB1 ALA 109 HB1 ALA 109 -8.386 7.021 -4.547 835 HB2 ALA 109 HB2 ALA 109 -7.814 6.547 -6.148 836 HB3 ALA 109 HB3 ALA 109 -6.686 7.223 -4.972 837 H LEU 110 HN LEU 110 -4.744 5.598 -4.266 838 HA LEU 110 HA LEU 110 -4.127 4.097 -6.625 839 HB2 LEU 110 HB2 LEU 110 -1.684 4.610 -6.273 840 HB3 LEU 110 HB1 LEU 110 -2.706 5.974 -6.580 841 HG LEU 110 HG LEU 110 -0.897 6.490 -5.058 842 HD11 LEU 110 HD11 LEU 110 -3.524 6.652 -3.649 843 HD12 LEU 110 HD12 LEU 110 -2.864 7.785 -4.828 844 HD13 LEU 110 HD13 LEU 110 -2.069 7.575 -3.268 845 HD21 LEU 110 HD21 LEU 110 -0.775 5.598 -2.775 846 HD22 LEU 110 HD22 LEU 110 -0.544 4.335 -3.986 847 HD23 LEU 110 HD23 LEU 110 -2.089 4.487 -3.152 848 H VAL 111 HN VAL 111 -4.051 3.538 -3.282 849 HA VAL 111 HA VAL 111 -2.386 1.304 -3.267 850 HB VAL 111 HB VAL 111 -4.644 2.109 -1.411 851 HG11 VAL 111 HG11 VAL 111 -3.834 0.426 0.171 852 HG12 VAL 111 HG12 VAL 111 -2.696 -0.171 -1.038 853 HG13 VAL 111 HG13 VAL 111 -4.432 -0.327 -1.308 854 HG21 VAL 111 HG21 VAL 111 -2.681 3.530 -1.364 855 HG22 VAL 111 HG22 VAL 111 -1.643 2.127 -1.114 856 HG23 VAL 111 HG23 VAL 111 -2.795 2.603 0.132 857 H SER 112 HN SER 112 -5.962 1.398 -3.530 858 HA SER 112 HA SER 112 -6.107 -1.422 -3.704 859 HB2 SER 112 HB2 SER 112 -7.949 0.009 -2.823 860 HB3 SER 112 HB1 SER 112 -8.246 0.583 -4.462 861 HG SER 112 HG SER 112 -9.503 -1.063 -4.579 862 H GLN 113 HN GLN 113 -5.816 1.082 -6.150 863 HA GLN 113 HA GLN 113 -6.632 -0.601 -8.293 864 HB2 GLN 113 HB2 GLN 113 -5.044 1.964 -8.334 865 HB3 GLN 113 HB1 GLN 113 -5.503 1.095 -9.790 866 HG2 GLN 113 HG2 GLN 113 -7.871 1.345 -9.174 867 HG3 GLN 113 HG1 GLN 113 -7.382 2.260 -7.748 868 HE21 GLN 113 HE21 GLN 113 -6.602 4.311 -8.004 869 HE22 GLN 113 HE22 GLN 113 -6.758 5.215 -9.483 870 H HIS 114 HN HIS 114 -3.665 -0.263 -6.597 871 HA HIS 114 HA HIS 114 -2.110 -1.520 -8.645 872 HB2 HIS 114 HB2 HIS 114 -1.475 -0.644 -5.858 873 HB3 HIS 114 HB1 HIS 114 -0.397 -1.757 -6.695 874 HD1 HIS 114 HD1 HIS 114 -1.618 1.783 -6.797 875 HD2 HIS 114 HD2 HIS 114 1.143 -0.655 -8.684 876 HE1 HIS 114 HE1 HIS 114 -0.149 3.324 -8.182 877 H SER 115 HN SER 115 -4.391 -2.794 -6.624 878 HA SER 115 HA SER 115 -3.099 -5.323 -6.228 879 HB2 SER 115 HB2 SER 115 -6.051 -4.646 -6.260 880 HB3 SER 115 HB1 SER 115 -5.331 -6.117 -5.610 881 HG SER 115 HG SER 115 -4.122 -4.698 -4.204 882 H ILE 116 HN ILE 116 -4.886 -3.717 -8.697 883 HA ILE 116 HA ILE 116 -5.217 -6.172 -10.235 884 HB ILE 116 HB ILE 116 -6.213 -3.369 -10.862 885 HG12 ILE 116 HG12 ILE 116 -7.743 -5.734 -9.734 886 HG13 ILE 116 HG11 ILE 116 -7.241 -4.327 -8.806 887 HG21 ILE 116 HG21 ILE 116 -7.658 -4.504 -12.506 888 HG22 ILE 116 HG22 ILE 116 -6.905 -6.045 -12.101 889 HG23 ILE 116 HG23 ILE 116 -5.948 -4.769 -12.855 890 HD11 ILE 116 HD11 ILE 116 -9.587 -4.193 -9.412 891 HD12 ILE 116 HD12 ILE 116 -9.167 -4.325 -11.119 892 HD13 ILE 116 HD13 ILE 116 -8.666 -2.909 -10.196 893 H SER 117 HN SER 117 -4.088 -2.820 -10.717 894 HA SER 117 HA SER 117 -2.342 -3.822 -12.825 895 HB2 SER 117 HB2 SER 117 -3.559 -1.080 -12.494 896 HB3 SER 117 HB1 SER 117 -2.582 -1.633 -13.850 897 HG SER 117 HG SER 117 -4.481 -2.082 -14.624 898 HA PRO 118 HA PRO 118 0.752 -2.171 -9.972 899 HB2 PRO 118 HB2 PRO 118 2.890 -3.462 -11.067 900 HB3 PRO 118 HB1 PRO 118 1.793 -4.254 -9.943 901 HG2 PRO 118 HG2 PRO 118 1.904 -4.457 -12.913 902 HG3 PRO 118 HG1 PRO 118 1.560 -5.714 -11.712 903 HD2 PRO 118 HD2 PRO 118 -0.357 -4.407 -13.191 904 HD3 PRO 118 HD1 PRO 118 -0.662 -5.176 -11.623 905 H ILE 119 HN ILE 119 0.690 -0.091 -10.658 906 HA ILE 119 HA ILE 119 1.629 0.652 -13.313 907 HB ILE 119 HB ILE 119 0.479 2.406 -11.118 908 HG12 ILE 119 HG12 ILE 119 -0.881 1.274 -13.580 909 HG13 ILE 119 HG11 ILE 119 -1.111 0.676 -11.942 910 HG21 ILE 119 HG21 ILE 119 1.833 3.668 -12.705 911 HG22 ILE 119 HG22 ILE 119 0.125 4.049 -12.920 912 HG23 ILE 119 HG23 ILE 119 0.937 2.965 -14.054 913 HD11 ILE 119 HD11 ILE 119 -2.074 2.844 -11.310 914 HD12 ILE 119 HD12 ILE 119 -2.951 2.103 -12.651 915 HD13 ILE 119 HD13 ILE 119 -1.822 3.423 -12.957 916 H SER 120 HN SER 120 2.193 2.023 -10.088 917 HA SER 120 HA SER 120 4.755 3.070 -10.980 918 HB2 SER 120 HB2 SER 120 3.184 4.507 -9.757 919 HB3 SER 120 HB1 SER 120 3.229 3.400 -8.388 920 HG SER 120 HG SER 120 5.654 3.869 -8.612 921 H LEU 121 HN LEU 121 3.569 0.346 -9.532 922 HA LEU 121 HA LEU 121 6.038 -0.171 -8.039 923 HB2 LEU 121 HB2 LEU 121 3.264 -1.261 -7.555 924 HB3 LEU 121 HB1 LEU 121 4.686 -1.566 -6.576 925 HG LEU 121 HG LEU 121 3.403 1.150 -6.913 926 HD11 LEU 121 HD11 LEU 121 3.225 -0.795 -4.637 927 HD12 LEU 121 HD12 LEU 121 1.921 -0.345 -5.731 928 HD13 LEU 121 HD13 LEU 121 2.605 0.854 -4.632 929 HD21 LEU 121 HD21 LEU 121 5.773 1.281 -6.397 930 HD22 LEU 121 HD22 LEU 121 5.557 0.178 -5.039 931 HD23 LEU 121 HD23 LEU 121 4.811 1.777 -5.006 932 HA PRO 122 HA PRO 122 6.515 -3.528 -10.953 933 HB2 PRO 122 HB2 PRO 122 8.156 -5.142 -9.496 934 HB3 PRO 122 HB1 PRO 122 8.719 -3.686 -10.320 935 HG2 PRO 122 HG2 PRO 122 8.049 -4.119 -7.443 936 HG3 PRO 122 HG1 PRO 122 9.362 -3.166 -8.150 937 HD2 PRO 122 HD2 PRO 122 7.090 -2.053 -7.165 938 HD3 PRO 122 HD1 PRO 122 8.011 -1.340 -8.503 939 H CYS 123 HN CYS 123 5.355 -4.100 -7.734 940 HA CYS 123 HA CYS 123 4.235 -6.670 -8.581 941 HB2 CYS 123 HB2 CYS 123 5.095 -5.819 -5.808 942 HB3 CYS 123 HB1 CYS 123 4.357 -7.362 -6.222 943 HG CYS 123 HG CYS 123 6.476 -8.128 -7.883 944 H CYS 124 HN CYS 124 2.186 -7.162 -7.461 945 HA CYS 124 HA CYS 124 0.555 -4.803 -7.403 946 HB2 CYS 124 HB2 CYS 124 -0.143 -7.734 -7.173 947 HB3 CYS 124 HB1 CYS 124 -1.313 -6.423 -7.269 948 HG CYS 124 HG CYS 124 -1.520 -6.613 -9.794 949 H LEU 125 HN LEU 125 -0.598 -4.134 -5.628 950 HA LEU 125 HA LEU 125 0.604 -4.698 -3.082 951 HB2 LEU 125 HB2 LEU 125 -1.717 -2.925 -3.816 952 HB3 LEU 125 HB1 LEU 125 -1.075 -3.073 -2.196 953 HG LEU 125 HG LEU 125 0.371 -1.963 -4.600 954 HD11 LEU 125 HD11 LEU 125 -0.633 -0.649 -2.081 955 HD12 LEU 125 HD12 LEU 125 -1.340 -0.488 -3.687 956 HD13 LEU 125 HD13 LEU 125 0.281 0.140 -3.370 957 HD21 LEU 125 HD21 LEU 125 1.278 -2.325 -1.750 958 HD22 LEU 125 HD22 LEU 125 2.128 -1.384 -2.969 959 HD23 LEU 125 HD23 LEU 125 1.941 -3.122 -3.179 960 H ARG 126 HN ARG 126 0.078 -6.268 -1.804 961 HA ARG 126 HA ARG 126 -2.554 -7.479 -2.104 962 HB2 ARG 126 HB2 ARG 126 -0.208 -8.474 -0.473 963 HB3 ARG 126 HB1 ARG 126 -1.690 -9.352 -0.832 964 HG2 ARG 126 HG2 ARG 126 0.474 -8.556 -2.755 965 HG3 ARG 126 HG1 ARG 126 0.034 -10.186 -2.246 966 HD2 ARG 126 HD2 ARG 126 -2.152 -9.926 -3.350 967 HD3 ARG 126 HD1 ARG 126 -1.716 -8.290 -3.824 968 HE ARG 126 HE ARG 126 0.264 -10.104 -4.660 969 HH11 ARG 126 HH11 ARG 126 -3.010 -9.068 -5.597 970 HH12 ARG 126 HH12 ARG 126 -2.797 -9.492 -7.229 971 HH21 ARG 126 HH21 ARG 126 0.518 -10.672 -6.865 972 HH22 ARG 126 HH22 ARG 126 -0.747 -10.447 -7.976 973 H ILE 127 HN ILE 127 -3.895 -6.405 -1.100 974 HA ILE 127 HA ILE 127 -3.264 -5.025 1.394 975 HB ILE 127 HB ILE 127 -5.784 -4.853 -0.253 976 HG12 ILE 127 HG12 ILE 127 -3.406 -3.026 -0.544 977 HG13 ILE 127 HG11 ILE 127 -3.622 -4.437 -1.568 978 HG21 ILE 127 HG21 ILE 127 -5.951 -2.647 0.815 979 HG22 ILE 127 HG22 ILE 127 -4.399 -2.922 1.619 980 HG23 ILE 127 HG23 ILE 127 -5.785 -3.931 2.021 981 HD11 ILE 127 HD11 ILE 127 -5.686 -3.588 -2.352 982 HD12 ILE 127 HD12 ILE 127 -4.385 -2.436 -2.621 983 HD13 ILE 127 HD13 ILE 127 -5.560 -2.162 -1.310 984 HA PRO 128 HA PRO 128 -5.535 -8.214 3.693 985 HB2 PRO 128 HB2 PRO 128 -6.053 -5.892 5.481 986 HB3 PRO 128 HB1 PRO 128 -5.444 -7.499 5.886 987 HG2 PRO 128 HG2 PRO 128 -3.805 -5.422 5.809 988 HG3 PRO 128 HG1 PRO 128 -3.287 -7.003 5.179 989 HD2 PRO 128 HD2 PRO 128 -4.123 -4.540 3.715 990 HD3 PRO 128 HD1 PRO 128 -2.870 -5.734 3.314 991 H SER 129 HN SER 129 -6.665 -5.195 2.792 992 HA SER 129 HA SER 129 -9.440 -5.278 3.365 993 HB2 SER 129 HB2 SER 129 -8.140 -3.266 2.654 994 HB3 SER 129 HB1 SER 129 -8.087 -3.931 1.026 995 HG SER 129 HG SER 129 -10.069 -3.379 0.714 996 H LYS 130 HN LYS 130 -7.505 -6.659 0.739 997 HA LYS 130 HA LYS 130 -9.947 -7.548 -0.588 998 HB2 LYS 130 HB2 LYS 130 -8.474 -6.103 -1.962 999 HB3 LYS 130 HB1 LYS 130 -7.151 -7.218 -1.694 1000 HG2 LYS 130 HG2 LYS 130 -8.054 -7.603 -3.882 1001 HG3 LYS 130 HG1 LYS 130 -8.434 -8.983 -2.855 1002 HD2 LYS 130 HD2 LYS 130 -10.385 -8.441 -4.190 1003 HD3 LYS 130 HD1 LYS 130 -10.719 -8.022 -2.514 1004 HE2 LYS 130 HE2 LYS 130 -11.509 -6.311 -4.082 1005 HE3 LYS 130 HE1 LYS 130 -10.283 -5.678 -2.991 1006 HZ1 LYS 130 HZ1 LYS 130 -8.650 -5.902 -4.738 1007 HZ2 LYS 130 HZ2 LYS 130 -9.925 -4.960 -5.266 1008 HZ3 LYS 130 HZ3 LYS 130 -9.790 -6.559 -5.794 1009 H ASP 131 HN ASP 131 -10.368 -9.614 -0.311 1010 HA ASP 131 HA ASP 131 -8.194 -11.396 0.491 1011 HB2 ASP 131 HB2 ASP 131 -10.004 -11.267 2.119 1012 HB3 ASP 131 HB1 ASP 131 -11.170 -11.683 0.869 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -11.131 -12.320 32.126 2 H2 MET 1 HT2 MET 1 -11.203 -10.885 32.929 3 H3 MET 1 HT3 MET 1 -9.749 -11.355 32.205 4 HA MET 1 HA MET 1 -10.845 -9.633 30.896 5 HB2 MET 1 HB2 MET 1 -11.014 -10.775 28.762 6 HB3 MET 1 HB1 MET 1 -9.696 -11.502 29.668 7 HG2 MET 1 HG2 MET 1 -11.107 -13.385 30.261 8 HG3 MET 1 HG1 MET 1 -12.473 -12.643 29.432 9 HE1 MET 1 HE1 MET 1 -11.603 -15.597 28.905 10 HE2 MET 1 HE2 MET 1 -11.675 -15.676 27.145 11 HE3 MET 1 HE3 MET 1 -12.919 -14.806 28.040 12 H HIS 2 HN HIS 2 -12.829 -9.284 29.389 13 HA HIS 2 HA HIS 2 -15.127 -10.225 30.861 14 HB2 HIS 2 HB2 HIS 2 -16.484 -8.611 29.665 15 HB3 HIS 2 HB1 HIS 2 -15.031 -7.798 30.207 16 HD1 HIS 2 HD1 HIS 2 -17.153 -8.136 27.337 17 HD2 HIS 2 HD2 HIS 2 -13.086 -7.563 27.930 18 HE1 HIS 2 HE1 HIS 2 -16.251 -7.209 25.181 19 H HIS 3 HN HIS 3 -16.423 -11.749 30.189 20 HA HIS 3 HA HIS 3 -15.603 -13.185 27.792 21 HB2 HIS 3 HB2 HIS 3 -17.508 -13.935 30.018 22 HB3 HIS 3 HB1 HIS 3 -17.197 -14.929 28.602 23 HD1 HIS 3 HD1 HIS 3 -15.384 -16.655 28.913 24 HD2 HIS 3 HD2 HIS 3 -15.029 -13.471 31.560 25 HE1 HIS 3 HE1 HIS 3 -13.503 -17.238 30.458 26 H HIS 4 HN HIS 4 -18.029 -11.102 28.894 27 HA HIS 4 HA HIS 4 -19.747 -11.799 26.628 28 HB2 HIS 4 HB2 HIS 4 -20.489 -10.462 29.237 29 HB3 HIS 4 HB1 HIS 4 -21.596 -10.843 27.932 30 HD1 HIS 4 HD1 HIS 4 -19.734 -12.424 30.785 31 HD2 HIS 4 HD2 HIS 4 -22.356 -13.529 27.759 32 HE1 HIS 4 HE1 HIS 4 -20.515 -14.744 31.354 33 H HIS 5 HN HIS 5 -20.030 -10.292 25.143 34 HA HIS 5 HA HIS 5 -18.943 -7.627 25.546 35 HB2 HIS 5 HB2 HIS 5 -19.949 -9.091 23.095 36 HB3 HIS 5 HB1 HIS 5 -19.579 -7.377 23.073 37 HD1 HIS 5 HD1 HIS 5 -17.843 -10.742 23.529 38 HD2 HIS 5 HD2 HIS 5 -16.962 -6.757 22.744 39 HE1 HIS 5 HE1 HIS 5 -15.397 -10.669 22.951 40 H HIS 6 HN HIS 6 -20.326 -6.480 26.701 41 HA HIS 6 HA HIS 6 -23.144 -6.420 25.853 42 HB2 HIS 6 HB2 HIS 6 -21.934 -5.447 28.454 43 HB3 HIS 6 HB1 HIS 6 -23.633 -5.341 28.029 44 HD1 HIS 6 HD1 HIS 6 -21.935 -7.070 30.334 45 HD2 HIS 6 HD2 HIS 6 -24.165 -8.405 27.101 46 HE1 HIS 6 HE1 HIS 6 -22.631 -9.420 30.896 47 H HIS 7 HN HIS 7 -20.536 -4.275 26.939 48 HA HIS 7 HA HIS 7 -21.855 -2.158 25.417 49 HB2 HIS 7 HB2 HIS 7 -20.494 -0.526 26.773 50 HB3 HIS 7 HB1 HIS 7 -21.675 -1.438 27.694 51 HD1 HIS 7 HD1 HIS 7 -18.043 -0.680 27.526 52 HD2 HIS 7 HD2 HIS 7 -20.551 -3.415 29.383 53 HE1 HIS 7 HE1 HIS 7 -16.698 -1.721 29.372 54 H SER 8 HN SER 8 -19.166 -4.164 25.419 55 HA SER 8 HA SER 8 -17.704 -2.425 23.632 56 HB2 SER 8 HB2 SER 8 -16.478 -3.868 25.267 57 HB3 SER 8 HB1 SER 8 -17.122 -5.296 24.457 58 HG SER 8 HG SER 8 -14.945 -4.564 23.879 59 H SER 9 HN SER 9 -18.726 -2.221 21.749 60 HA SER 9 HA SER 9 -20.180 -4.443 20.613 61 HB2 SER 9 HB2 SER 9 -19.756 -1.685 19.469 62 HB3 SER 9 HB1 SER 9 -21.045 -2.831 19.096 63 HG SER 9 HG SER 9 -21.809 -2.595 21.204 64 H GLY 10 HN GLY 10 -17.159 -2.755 20.220 65 HA2 GLY 10 HA2 GLY 10 -15.355 -3.181 18.865 66 HA3 GLY 10 HA1 GLY 10 -16.187 -4.631 18.296 67 H LEU 11 HN LEU 11 -16.374 -4.526 16.169 68 HA LEU 11 HA LEU 11 -17.494 -2.062 15.125 69 HB2 LEU 11 HB2 LEU 11 -16.377 -2.464 12.917 70 HB3 LEU 11 HB1 LEU 11 -15.278 -2.068 14.209 71 HG LEU 11 HG LEU 11 -15.691 -4.921 13.277 72 HD11 LEU 11 HD11 LEU 11 -14.988 -3.553 11.363 73 HD12 LEU 11 HD12 LEU 11 -13.692 -4.622 11.901 74 HD13 LEU 11 HD13 LEU 11 -13.650 -2.912 12.319 75 HD21 LEU 11 HD21 LEU 11 -13.409 -3.536 14.693 76 HD22 LEU 11 HD22 LEU 11 -13.472 -5.241 14.257 77 HD23 LEU 11 HD23 LEU 11 -14.590 -4.595 15.460 78 H VAL 12 HN VAL 12 -19.549 -2.760 15.350 79 HA VAL 12 HA VAL 12 -20.299 -5.251 14.149 80 HB VAL 12 HB VAL 12 -22.113 -3.160 15.420 81 HG11 VAL 12 HG11 VAL 12 -23.824 -4.911 15.463 82 HG12 VAL 12 HG12 VAL 12 -22.740 -5.992 14.587 83 HG13 VAL 12 HG13 VAL 12 -23.340 -4.527 13.810 84 HG21 VAL 12 HG21 VAL 12 -21.101 -5.782 16.506 85 HG22 VAL 12 HG22 VAL 12 -22.223 -4.692 17.319 86 HG23 VAL 12 HG23 VAL 12 -20.564 -4.182 17.010 87 HA PRO 13 HA PRO 13 -22.674 -2.721 10.899 88 HB2 PRO 13 HB2 PRO 13 -22.440 -0.014 10.777 89 HB3 PRO 13 HB1 PRO 13 -23.704 -0.818 11.713 90 HG2 PRO 13 HG2 PRO 13 -21.104 0.338 12.642 91 HG3 PRO 13 HG1 PRO 13 -22.709 0.458 13.389 92 HD2 PRO 13 HD2 PRO 13 -20.833 -1.276 14.267 93 HD3 PRO 13 HD1 PRO 13 -22.578 -1.632 14.312 94 H ARG 14 HN ARG 14 -19.658 -1.230 11.913 95 HA ARG 14 HA ARG 14 -17.792 -0.483 10.944 96 HB2 ARG 14 HB2 ARG 14 -16.556 -1.988 9.528 97 HB3 ARG 14 HB1 ARG 14 -17.495 -2.979 10.625 98 HG2 ARG 14 HG2 ARG 14 -19.109 -3.416 8.847 99 HG3 ARG 14 HG1 ARG 14 -18.180 -2.397 7.756 100 HD2 ARG 14 HD2 ARG 14 -16.253 -3.922 8.037 101 HD3 ARG 14 HD1 ARG 14 -17.265 -4.965 9.043 102 HE ARG 14 HE ARG 14 -18.616 -4.520 6.684 103 HH11 ARG 14 HH11 ARG 14 -15.712 -6.280 7.732 104 HH12 ARG 14 HH12 ARG 14 -15.708 -7.299 6.360 105 HH21 ARG 14 HH21 ARG 14 -18.574 -5.952 4.837 106 HH22 ARG 14 HH22 ARG 14 -17.340 -7.116 4.736 107 H GLY 15 HN GLY 15 -16.652 0.139 8.670 108 HA2 GLY 15 HA2 GLY 15 -18.762 1.102 6.931 109 HA3 GLY 15 HA1 GLY 15 -17.502 2.186 7.525 110 H SER 16 HN SER 16 -15.982 2.451 6.258 111 HA SER 16 HA SER 16 -14.974 0.282 4.562 112 HB2 SER 16 HB2 SER 16 -15.506 3.116 3.601 113 HB3 SER 16 HB1 SER 16 -14.862 1.792 2.631 114 HG SER 16 HG SER 16 -17.435 2.134 3.705 115 H ASP 17 HN ASP 17 -14.276 1.793 7.055 116 HA ASP 17 HA ASP 17 -11.876 3.239 6.319 117 HB2 ASP 17 HB2 ASP 17 -13.028 2.663 9.071 118 HB3 ASP 17 HB1 ASP 17 -11.632 3.681 8.756 119 H THR 18 HN THR 18 -10.852 1.504 5.374 120 HA THR 18 HA THR 18 -9.914 -0.558 7.222 121 HB THR 18 HB THR 18 -9.477 -1.826 5.087 122 HG1 THR 18 HG1 THR 18 -11.119 -0.494 3.489 123 HG21 THR 18 HG21 THR 18 -11.565 -2.174 6.371 124 HG22 THR 18 HG22 THR 18 -11.855 -2.327 4.639 125 HG23 THR 18 HG23 THR 18 -12.323 -0.851 5.483 126 H SER 19 HN SER 19 -9.041 2.278 6.133 127 HA SER 19 HA SER 19 -6.585 1.850 4.818 128 HB2 SER 19 HB2 SER 19 -7.561 4.371 6.158 129 HB3 SER 19 HB1 SER 19 -6.418 4.221 4.822 130 HG SER 19 HG SER 19 -8.254 3.070 3.748 131 H LYS 20 HN LYS 20 -7.486 2.398 8.193 132 HA LYS 20 HA LYS 20 -4.836 2.956 9.013 133 HB2 LYS 20 HB2 LYS 20 -5.522 2.918 11.281 134 HB3 LYS 20 HB1 LYS 20 -6.867 3.574 10.381 135 HG2 LYS 20 HG2 LYS 20 -6.735 0.690 11.223 136 HG3 LYS 20 HG1 LYS 20 -7.374 1.951 12.265 137 HD2 LYS 20 HD2 LYS 20 -9.099 2.441 10.575 138 HD3 LYS 20 HD1 LYS 20 -8.449 1.150 9.553 139 HE2 LYS 20 HE2 LYS 20 -8.933 -0.504 11.216 140 HE3 LYS 20 HE1 LYS 20 -9.386 0.734 12.382 141 HZ1 LYS 20 HZ1 LYS 20 -11.278 -0.413 11.389 142 HZ2 LYS 20 HZ2 LYS 20 -10.894 0.230 9.854 143 HZ3 LYS 20 HZ3 LYS 20 -11.304 1.234 11.119 144 H PHE 21 HN PHE 21 -6.069 0.078 7.948 145 HA PHE 21 HA PHE 21 -4.562 -1.657 9.651 146 HB2 PHE 21 HB2 PHE 21 -5.895 -2.114 6.992 147 HB3 PHE 21 HB1 PHE 21 -5.035 -3.393 7.818 148 HD1 PHE 21 HD2 PHE 21 -5.860 -3.245 10.556 149 HD2 PHE 21 HD1 PHE 21 -8.132 -2.432 7.060 150 HE1 PHE 21 HE2 PHE 21 -7.928 -3.786 11.773 151 HE2 PHE 21 HE1 PHE 21 -10.187 -2.982 8.249 152 HZ PHE 21 HZ PHE 21 -10.098 -3.655 10.628 153 H TRP 22 HN TRP 22 -3.999 -0.042 6.591 154 HA TRP 22 HA TRP 22 -1.350 -1.270 6.524 155 HB2 TRP 22 HB2 TRP 22 -1.256 -0.342 4.150 156 HB3 TRP 22 HB1 TRP 22 -2.373 -1.663 4.441 157 HD1 TRP 22 HD1 TRP 22 -4.850 -1.278 3.810 158 HE1 TRP 22 HE1 TRP 22 -6.195 0.680 2.816 159 HE3 TRP 22 HE3 TRP 22 -1.353 2.499 4.238 160 HZ2 TRP 22 HZ2 TRP 22 -5.840 3.407 2.280 161 HZ3 TRP 22 HZ3 TRP 22 -1.981 4.720 3.461 162 HH2 TRP 22 HH2 TRP 22 -4.169 5.166 2.512 163 H TYR 23 HN TYR 23 -2.882 1.557 7.348 164 HA TYR 23 HA TYR 23 -0.573 3.195 6.745 165 HB2 TYR 23 HB2 TYR 23 -2.898 4.000 6.276 166 HB3 TYR 23 HB1 TYR 23 -3.201 3.990 8.008 167 HD1 TYR 23 HD2 TYR 23 -0.921 5.409 5.462 168 HD2 TYR 23 HD1 TYR 23 -2.753 5.910 9.254 169 HE1 TYR 23 HE2 TYR 23 -0.002 7.648 5.579 170 HE2 TYR 23 HE1 TYR 23 -1.837 8.184 9.400 171 HH TYR 23 HH TYR 23 0.018 9.449 8.481 172 H LYS 24 HN LYS 24 1.008 3.169 8.145 173 HA LYS 24 HA LYS 24 0.366 3.343 11.006 174 HB2 LYS 24 HB2 LYS 24 2.836 1.937 9.918 175 HB3 LYS 24 HB1 LYS 24 2.449 2.178 11.599 176 HG2 LYS 24 HG2 LYS 24 2.064 -0.089 11.186 177 HG3 LYS 24 HG1 LYS 24 0.457 0.635 11.193 178 HD2 LYS 24 HD2 LYS 24 0.250 0.471 8.868 179 HD3 LYS 24 HD1 LYS 24 1.994 0.290 8.649 180 HE2 LYS 24 HE2 LYS 24 0.911 -1.840 8.268 181 HE3 LYS 24 HE1 LYS 24 1.890 -1.901 9.717 182 HZ1 LYS 24 HZ1 LYS 24 -0.138 -2.992 10.094 183 HZ2 LYS 24 HZ2 LYS 24 -1.076 -1.692 9.603 184 HZ3 LYS 24 HZ3 LYS 24 -0.175 -1.602 11.032 185 HA PRO 25 HA PRO 25 2.671 6.996 9.514 186 HB2 PRO 25 HB2 PRO 25 1.715 8.736 11.337 187 HB3 PRO 25 HB1 PRO 25 0.783 8.253 9.915 188 HG2 PRO 25 HG2 PRO 25 0.589 7.256 12.735 189 HG3 PRO 25 HG1 PRO 25 -0.714 7.682 11.611 190 HD2 PRO 25 HD2 PRO 25 0.059 5.125 12.068 191 HD3 PRO 25 HD1 PRO 25 -0.582 5.666 10.500 192 H HIS 26 HN HIS 26 2.838 5.242 12.324 193 HA HIS 26 HA HIS 26 4.855 6.935 13.608 194 HB2 HIS 26 HB2 HIS 26 4.554 5.508 15.566 195 HB3 HIS 26 HB1 HIS 26 3.009 6.152 15.018 196 HD1 HIS 26 HD1 HIS 26 4.859 2.919 15.529 197 HD2 HIS 26 HD2 HIS 26 1.261 4.220 13.900 198 HE1 HIS 26 HE1 HIS 26 3.449 0.858 15.210 199 H LEU 27 HN LEU 27 4.740 4.244 11.515 200 HA LEU 27 HA LEU 27 6.742 2.781 12.984 201 HB2 LEU 27 HB2 LEU 27 4.732 1.807 11.614 202 HB3 LEU 27 HB1 LEU 27 5.804 2.004 10.245 203 HG LEU 27 HG LEU 27 7.470 0.536 11.402 204 HD11 LEU 27 HD11 LEU 27 6.672 -0.834 13.274 205 HD12 LEU 27 HD12 LEU 27 5.209 0.145 13.359 206 HD13 LEU 27 HD13 LEU 27 6.779 0.871 13.696 207 HD21 LEU 27 HD21 LEU 27 5.963 -0.395 9.736 208 HD22 LEU 27 HD22 LEU 27 4.740 -0.669 10.976 209 HD23 LEU 27 HD23 LEU 27 6.262 -1.557 11.027 210 H SER 28 HN SER 28 8.797 3.032 12.745 211 HA SER 28 HA SER 28 9.859 4.887 10.872 212 HB2 SER 28 HB2 SER 28 11.279 3.072 12.831 213 HB3 SER 28 HB1 SER 28 11.887 4.567 12.112 214 HG SER 28 HG SER 28 9.882 5.493 13.097 215 H ARG 29 HN ARG 29 11.910 4.221 9.622 216 HA ARG 29 HA ARG 29 11.155 2.457 7.622 217 HB2 ARG 29 HB2 ARG 29 12.700 4.231 7.168 218 HB3 ARG 29 HB1 ARG 29 13.873 3.573 8.295 219 HG2 ARG 29 HG2 ARG 29 14.219 1.651 6.855 220 HG3 ARG 29 HG1 ARG 29 12.989 2.244 5.738 221 HD2 ARG 29 HD2 ARG 29 15.268 2.752 4.976 222 HD3 ARG 29 HD1 ARG 29 14.316 4.208 5.273 223 HE ARG 29 HE ARG 29 16.001 3.284 7.444 224 HH11 ARG 29 HH11 ARG 29 15.711 5.481 4.668 225 HH12 ARG 29 HH12 ARG 29 16.851 6.596 5.276 226 HH21 ARG 29 HH21 ARG 29 17.559 4.786 8.230 227 HH22 ARG 29 HH22 ARG 29 17.933 6.199 7.328 228 H ASP 30 HN ASP 30 13.553 1.910 10.177 229 HA ASP 30 HA ASP 30 14.219 -0.708 9.302 230 HB2 ASP 30 HB2 ASP 30 15.343 -1.017 11.453 231 HB3 ASP 30 HB1 ASP 30 15.735 0.548 10.753 232 H GLN 31 HN GLN 31 11.729 0.499 11.347 233 HA GLN 31 HA GLN 31 10.972 -2.062 12.385 234 HB2 GLN 31 HB2 GLN 31 9.569 0.605 12.353 235 HB3 GLN 31 HB1 GLN 31 8.938 -0.826 13.157 236 HG2 GLN 31 HG2 GLN 31 10.831 -0.868 14.648 237 HG3 GLN 31 HG1 GLN 31 11.571 0.478 13.786 238 HE21 GLN 31 HE21 GLN 31 11.615 1.701 15.653 239 HE22 GLN 31 HE22 GLN 31 10.199 2.431 16.304 240 H ALA 32 HN ALA 32 10.019 0.036 9.787 241 HA ALA 32 HA ALA 32 7.786 -1.362 8.824 242 HB1 ALA 32 HB1 ALA 32 8.204 -0.134 6.733 243 HB2 ALA 32 HB2 ALA 32 9.819 0.274 7.318 244 HB3 ALA 32 HB3 ALA 32 8.402 0.918 8.146 245 H ILE 33 HN ILE 33 11.214 -1.602 8.128 246 HA ILE 33 HA ILE 33 11.056 -3.633 6.192 247 HB ILE 33 HB ILE 33 13.336 -2.884 8.050 248 HG12 ILE 33 HG12 ILE 33 12.932 -2.182 5.144 249 HG13 ILE 33 HG11 ILE 33 12.426 -1.139 6.466 250 HG21 ILE 33 HG21 ILE 33 13.649 -5.159 7.170 251 HG22 ILE 33 HG22 ILE 33 14.813 -4.043 6.460 252 HG23 ILE 33 HG23 ILE 33 13.410 -4.560 5.527 253 HD11 ILE 33 HD11 ILE 33 14.544 -0.442 5.557 254 HD12 ILE 33 HD12 ILE 33 15.235 -2.036 5.912 255 HD13 ILE 33 HD13 ILE 33 14.693 -0.982 7.230 256 H ALA 34 HN ALA 34 11.628 -3.702 9.668 257 HA ALA 34 HA ALA 34 11.869 -6.481 9.978 258 HB1 ALA 34 HB1 ALA 34 12.454 -4.834 11.721 259 HB2 ALA 34 HB2 ALA 34 11.451 -6.167 12.299 260 HB3 ALA 34 HB3 ALA 34 10.718 -4.587 12.006 261 H LEU 35 HN LEU 35 9.089 -4.489 9.645 262 HA LEU 35 HA LEU 35 7.178 -6.443 10.495 263 HB2 LEU 35 HB2 LEU 35 7.147 -3.763 10.261 264 HB3 LEU 35 HB1 LEU 35 6.472 -4.166 8.705 265 HG LEU 35 HG LEU 35 4.719 -3.636 10.276 266 HD11 LEU 35 HD11 LEU 35 4.169 -5.296 8.622 267 HD12 LEU 35 HD12 LEU 35 3.341 -5.648 10.144 268 HD13 LEU 35 HD13 LEU 35 4.766 -6.573 9.677 269 HD21 LEU 35 HD21 LEU 35 4.328 -4.950 12.283 270 HD22 LEU 35 HD22 LEU 35 5.922 -4.176 12.322 271 HD23 LEU 35 HD23 LEU 35 5.789 -5.890 11.965 272 H LEU 36 HN LEU 36 8.255 -5.080 7.402 273 HA LEU 36 HA LEU 36 6.598 -6.748 5.848 274 HB2 LEU 36 HB2 LEU 36 8.576 -4.672 5.347 275 HB3 LEU 36 HB1 LEU 36 8.403 -5.841 4.058 276 HG LEU 36 HG LEU 36 6.058 -5.291 3.791 277 HD11 LEU 36 HD11 LEU 36 6.385 -3.471 6.168 278 HD12 LEU 36 HD12 LEU 36 5.440 -4.961 6.119 279 HD13 LEU 36 HD13 LEU 36 4.957 -3.580 5.140 280 HD21 LEU 36 HD21 LEU 36 7.702 -2.792 4.095 281 HD22 LEU 36 HD22 LEU 36 6.216 -2.945 3.156 282 HD23 LEU 36 HD23 LEU 36 7.661 -3.841 2.681 283 H LYS 37 HN LYS 37 9.827 -7.204 7.008 284 HA LYS 37 HA LYS 37 10.460 -9.331 5.217 285 HB2 LYS 37 HB2 LYS 37 12.299 -9.869 6.724 286 HB3 LYS 37 HB1 LYS 37 12.198 -8.128 6.547 287 HG2 LYS 37 HG2 LYS 37 10.989 -8.040 8.724 288 HG3 LYS 37 HG1 LYS 37 11.273 -9.768 8.897 289 HD2 LYS 37 HD2 LYS 37 13.415 -7.630 8.691 290 HD3 LYS 37 HD1 LYS 37 12.923 -8.458 10.166 291 HE2 LYS 37 HE2 LYS 37 13.641 -10.598 9.137 292 HE3 LYS 37 HE1 LYS 37 14.202 -9.669 7.737 293 HZ1 LYS 37 HZ1 LYS 37 16.007 -10.184 9.217 294 HZ2 LYS 37 HZ2 LYS 37 15.227 -9.462 10.511 295 HZ3 LYS 37 HZ3 LYS 37 15.769 -8.517 9.224 296 H ASP 38 HN ASP 38 8.287 -9.067 7.726 297 HA ASP 38 HA ASP 38 8.152 -11.929 8.337 298 HB2 ASP 38 HB2 ASP 38 8.027 -10.462 10.244 299 HB3 ASP 38 HB1 ASP 38 6.785 -9.490 9.479 300 H LYS 39 HN LYS 39 6.483 -9.373 6.666 301 HA LYS 39 HA LYS 39 4.045 -10.896 6.461 302 HB2 LYS 39 HB2 LYS 39 4.712 -8.153 5.462 303 HB3 LYS 39 HB1 LYS 39 3.159 -8.934 5.243 304 HG2 LYS 39 HG2 LYS 39 4.433 -8.234 7.872 305 HG3 LYS 39 HG1 LYS 39 3.115 -7.367 7.085 306 HD2 LYS 39 HD2 LYS 39 1.755 -9.460 7.217 307 HD3 LYS 39 HD1 LYS 39 3.059 -10.187 8.158 308 HE2 LYS 39 HE2 LYS 39 2.859 -8.319 9.758 309 HE3 LYS 39 HE1 LYS 39 1.456 -7.755 8.870 310 HZ1 LYS 39 HZ1 LYS 39 0.365 -9.868 9.313 311 HZ2 LYS 39 HZ2 LYS 39 0.764 -9.069 10.749 312 HZ3 LYS 39 HZ3 LYS 39 1.671 -10.386 10.234 313 H ASP 40 HN ASP 40 6.787 -10.712 4.530 314 HA ASP 40 HA ASP 40 7.310 -11.826 2.586 315 HB2 ASP 40 HB2 ASP 40 5.809 -13.620 3.408 316 HB3 ASP 40 HB1 ASP 40 4.422 -12.802 2.722 317 HA PRO 41 HA PRO 41 6.779 -8.905 -0.750 318 HB2 PRO 41 HB2 PRO 41 6.398 -11.246 -2.555 319 HB3 PRO 41 HB1 PRO 41 7.444 -9.839 -2.736 320 HG2 PRO 41 HG2 PRO 41 8.442 -12.173 -1.949 321 HG3 PRO 41 HG1 PRO 41 9.031 -10.639 -1.285 322 HD2 PRO 41 HD2 PRO 41 7.322 -12.709 -0.010 323 HD3 PRO 41 HD1 PRO 41 8.475 -11.574 0.714 324 H GLY 42 HN GLY 42 5.104 -7.741 -1.012 325 HA2 GLY 42 HA2 GLY 42 3.018 -7.630 -2.438 326 HA3 GLY 42 HA1 GLY 42 2.473 -8.967 -1.421 327 H ALA 43 HN ALA 43 3.727 -8.042 0.953 328 HA ALA 43 HA ALA 43 1.656 -6.349 1.896 329 HB1 ALA 43 HB1 ALA 43 2.697 -8.057 3.300 330 HB2 ALA 43 HB2 ALA 43 2.799 -6.464 4.040 331 HB3 ALA 43 HB3 ALA 43 4.213 -7.165 3.257 332 H PHE 44 HN PHE 44 1.737 -4.262 2.599 333 HA PHE 44 HA PHE 44 4.079 -2.621 2.023 334 HB2 PHE 44 HB2 PHE 44 2.828 -1.102 0.657 335 HB3 PHE 44 HB1 PHE 44 2.623 -2.705 -0.035 336 HD1 PHE 44 HD1 PHE 44 0.450 -3.967 0.569 337 HD2 PHE 44 HD2 PHE 44 0.965 0.214 1.157 338 HE1 PHE 44 HE1 PHE 44 -1.974 -3.681 0.644 339 HE2 PHE 44 HE2 PHE 44 -1.471 0.504 1.243 340 HZ PHE 44 HZ PHE 44 -2.948 -1.448 0.989 341 H LEU 45 HN LEU 45 3.728 -0.483 2.969 342 HA LEU 45 HA LEU 45 1.370 -0.048 4.540 343 HB2 LEU 45 HB2 LEU 45 2.376 0.349 6.632 344 HB3 LEU 45 HB1 LEU 45 2.945 -1.232 6.141 345 HG LEU 45 HG LEU 45 4.617 1.251 5.756 346 HD11 LEU 45 HD11 LEU 45 4.051 1.100 8.105 347 HD12 LEU 45 HD12 LEU 45 5.739 0.661 7.835 348 HD13 LEU 45 HD13 LEU 45 4.531 -0.596 8.122 349 HD21 LEU 45 HD21 LEU 45 5.305 -1.657 6.035 350 HD22 LEU 45 HD22 LEU 45 6.443 -0.341 5.765 351 HD23 LEU 45 HD23 LEU 45 5.258 -0.759 4.520 352 H ILE 46 HN ILE 46 1.259 2.135 5.218 353 HA ILE 46 HA ILE 46 3.177 3.846 3.848 354 HB ILE 46 HB ILE 46 0.164 4.240 4.025 355 HG12 ILE 46 HG12 ILE 46 2.041 3.858 1.692 356 HG13 ILE 46 HG11 ILE 46 0.926 2.660 2.322 357 HG21 ILE 46 HG21 ILE 46 1.333 6.376 4.339 358 HG22 ILE 46 HG22 ILE 46 0.522 6.320 2.769 359 HG23 ILE 46 HG23 ILE 46 2.266 6.078 2.871 360 HD11 ILE 46 HD11 ILE 46 0.198 3.676 0.259 361 HD12 ILE 46 HD12 ILE 46 0.142 5.267 1.039 362 HD13 ILE 46 HD13 ILE 46 -0.953 3.979 1.562 363 H ARG 47 HN ARG 47 4.086 5.310 5.027 364 HA ARG 47 HA ARG 47 3.065 5.806 7.746 365 HB2 ARG 47 HB2 ARG 47 5.351 5.877 8.553 366 HB3 ARG 47 HB1 ARG 47 5.115 4.368 7.689 367 HG2 ARG 47 HG2 ARG 47 6.194 5.437 5.697 368 HG3 ARG 47 HG1 ARG 47 6.561 6.817 6.742 369 HD2 ARG 47 HD2 ARG 47 7.807 5.313 8.240 370 HD3 ARG 47 HD1 ARG 47 7.496 3.979 7.130 371 HE ARG 47 HE ARG 47 9.091 6.371 6.487 372 HH11 ARG 47 HH11 ARG 47 8.460 2.909 6.037 373 HH12 ARG 47 HH12 ARG 47 9.845 2.645 5.070 374 HH21 ARG 47 HH21 ARG 47 11.012 5.986 5.210 375 HH22 ARG 47 HH22 ARG 47 11.326 4.455 4.591 376 H ASP 48 HN ASP 48 4.406 7.903 8.564 377 HA ASP 48 HA ASP 48 3.866 9.979 6.577 378 HB2 ASP 48 HB2 ASP 48 2.812 10.276 8.759 379 HB3 ASP 48 HB1 ASP 48 4.360 10.083 9.566 380 H SER 49 HN SER 49 5.554 11.116 5.660 381 HA SER 49 HA SER 49 8.220 10.182 6.313 382 HB2 SER 49 HB2 SER 49 7.310 12.049 4.119 383 HB3 SER 49 HB1 SER 49 8.889 11.268 4.243 384 HG SER 49 HG SER 49 6.387 10.192 3.642 385 H HIS 50 HN HIS 50 9.757 11.400 7.187 386 HA HIS 50 HA HIS 50 8.987 13.933 8.401 387 HB2 HIS 50 HB2 HIS 50 10.094 12.072 9.692 388 HB3 HIS 50 HB1 HIS 50 11.525 12.310 8.712 389 HD1 HIS 50 HD1 HIS 50 13.184 14.024 9.568 390 HD2 HIS 50 HD2 HIS 50 9.451 14.346 11.352 391 HE1 HIS 50 HE1 HIS 50 13.439 15.714 11.425 392 H SER 51 HN SER 51 10.859 12.650 5.818 393 HA SER 51 HA SER 51 12.730 14.760 5.584 394 HB2 SER 51 HB2 SER 51 13.117 12.451 4.751 395 HB3 SER 51 HB1 SER 51 11.901 12.708 3.508 396 HG SER 51 HG SER 51 13.827 14.651 3.594 397 H PHE 52 HN PHE 52 9.530 14.204 4.166 398 HA PHE 52 HA PHE 52 9.715 16.871 2.970 399 HB2 PHE 52 HB2 PHE 52 8.438 14.440 1.686 400 HB3 PHE 52 HB1 PHE 52 8.329 16.080 1.063 401 HD1 PHE 52 HD2 PHE 52 10.258 17.144 0.043 402 HD2 PHE 52 HD1 PHE 52 10.465 13.158 1.488 403 HE1 PHE 52 HE2 PHE 52 12.348 16.800 -1.217 404 HE2 PHE 52 HE1 PHE 52 12.545 12.799 0.251 405 HZ PHE 52 HZ PHE 52 13.498 14.626 -1.117 406 H GLN 53 HN GLN 53 7.747 18.029 2.856 407 HA GLN 53 HA GLN 53 6.085 17.482 5.159 408 HB2 GLN 53 HB2 GLN 53 5.950 19.745 3.164 409 HB3 GLN 53 HB1 GLN 53 5.141 19.678 4.717 410 HG2 GLN 53 HG2 GLN 53 7.279 19.731 5.861 411 HG3 GLN 53 HG1 GLN 53 8.121 19.736 4.311 412 HE21 GLN 53 HE21 GLN 53 6.175 21.560 6.501 413 HE22 GLN 53 HE22 GLN 53 6.432 23.099 5.784 414 H GLY 54 HN GLY 54 4.284 16.325 5.013 415 HA2 GLY 54 HA2 GLY 54 2.176 15.697 4.260 416 HA3 GLY 54 HA1 GLY 54 2.373 16.814 2.915 417 H ALA 55 HN ALA 55 4.694 14.353 3.690 418 HA ALA 55 HA ALA 55 3.957 12.998 1.206 419 HB1 ALA 55 HB1 ALA 55 6.133 14.088 1.015 420 HB2 ALA 55 HB2 ALA 55 6.328 12.335 1.017 421 HB3 ALA 55 HB3 ALA 55 6.687 13.264 2.470 422 H TYR 56 HN TYR 56 3.597 10.931 1.326 423 HA TYR 56 HA TYR 56 3.746 9.679 3.977 424 HB2 TYR 56 HB2 TYR 56 2.055 8.850 1.619 425 HB3 TYR 56 HB1 TYR 56 1.931 8.299 3.284 426 HD1 TYR 56 HD2 TYR 56 1.232 10.005 5.053 427 HD2 TYR 56 HD1 TYR 56 0.842 10.676 0.878 428 HE1 TYR 56 HE2 TYR 56 -0.420 11.754 5.497 429 HE2 TYR 56 HE1 TYR 56 -0.813 12.422 1.297 430 HH TYR 56 HH TYR 56 -1.339 13.728 4.362 431 H GLY 57 HN GLY 57 5.115 8.037 4.159 432 HA2 GLY 57 HA2 GLY 57 6.551 7.300 1.750 433 HA3 GLY 57 HA1 GLY 57 7.126 6.986 3.370 434 H LEU 58 HN LEU 58 5.950 5.652 0.683 435 HA LEU 58 HA LEU 58 4.419 3.508 1.910 436 HB2 LEU 58 HB2 LEU 58 3.530 4.389 -0.165 437 HB3 LEU 58 HB1 LEU 58 5.079 4.211 -0.958 438 HG LEU 58 HG LEU 58 4.829 1.714 -0.637 439 HD11 LEU 58 HD11 LEU 58 2.019 2.398 0.051 440 HD12 LEU 58 HD12 LEU 58 3.224 1.633 1.093 441 HD13 LEU 58 HD13 LEU 58 2.636 0.797 -0.347 442 HD21 LEU 58 HD21 LEU 58 2.781 3.072 -2.362 443 HD22 LEU 58 HD22 LEU 58 3.349 1.402 -2.497 444 HD23 LEU 58 HD23 LEU 58 4.469 2.738 -2.789 445 H ALA 59 HN ALA 59 5.358 1.672 2.386 446 HA ALA 59 HA ALA 59 7.936 1.055 1.143 447 HB1 ALA 59 HB1 ALA 59 8.481 -0.213 3.196 448 HB2 ALA 59 HB2 ALA 59 6.966 0.335 3.913 449 HB3 ALA 59 HB3 ALA 59 8.232 1.499 3.527 450 H LEU 60 HN LEU 60 7.956 -0.745 0.039 451 HA LEU 60 HA LEU 60 5.660 -2.575 0.286 452 HB2 LEU 60 HB2 LEU 60 5.390 -1.260 -1.720 453 HB3 LEU 60 HB1 LEU 60 7.038 -1.578 -2.209 454 HG LEU 60 HG LEU 60 6.454 -3.952 -2.596 455 HD11 LEU 60 HD11 LEU 60 3.654 -3.088 -1.926 456 HD12 LEU 60 HD12 LEU 60 4.651 -4.211 -1.005 457 HD13 LEU 60 HD13 LEU 60 4.108 -4.640 -2.626 458 HD21 LEU 60 HD21 LEU 60 5.101 -3.591 -4.596 459 HD22 LEU 60 HD22 LEU 60 6.350 -2.361 -4.432 460 HD23 LEU 60 HD23 LEU 60 4.674 -1.983 -4.013 461 H LYS 61 HN LYS 61 6.171 -4.653 0.541 462 HA LYS 61 HA LYS 61 8.973 -5.361 0.509 463 HB2 LYS 61 HB2 LYS 61 7.521 -6.133 2.378 464 HB3 LYS 61 HB1 LYS 61 6.543 -7.015 1.229 465 HG2 LYS 61 HG2 LYS 61 8.105 -8.487 2.446 466 HG3 LYS 61 HG1 LYS 61 8.386 -8.505 0.706 467 HD2 LYS 61 HD2 LYS 61 10.264 -6.962 0.987 468 HD3 LYS 61 HD1 LYS 61 9.963 -6.903 2.723 469 HE2 LYS 61 HE2 LYS 61 11.825 -8.404 2.120 470 HE3 LYS 61 HE1 LYS 61 10.509 -9.237 2.939 471 HZ1 LYS 61 HZ1 LYS 61 11.441 -10.433 0.998 472 HZ2 LYS 61 HZ2 LYS 61 10.784 -9.264 -0.051 473 HZ3 LYS 61 HZ3 LYS 61 9.808 -10.197 0.962 474 H VAL 62 HN VAL 62 9.809 -5.992 -1.252 475 HA VAL 62 HA VAL 62 8.141 -7.259 -3.283 476 HB VAL 62 HB VAL 62 9.757 -6.519 -4.938 477 HG11 VAL 62 HG11 VAL 62 8.924 -4.276 -3.116 478 HG12 VAL 62 HG12 VAL 62 7.982 -4.975 -4.433 479 HG13 VAL 62 HG13 VAL 62 9.465 -4.083 -4.781 480 HG21 VAL 62 HG21 VAL 62 11.286 -5.249 -2.655 481 HG22 VAL 62 HG22 VAL 62 11.665 -5.081 -4.371 482 HG23 VAL 62 HG23 VAL 62 11.798 -6.654 -3.590 483 H ALA 63 HN ALA 63 9.573 -8.756 -4.689 484 HA ALA 63 HA ALA 63 10.675 -10.687 -2.895 485 HB1 ALA 63 HB1 ALA 63 10.634 -10.663 -5.925 486 HB2 ALA 63 HB2 ALA 63 9.403 -11.382 -4.889 487 HB3 ALA 63 HB3 ALA 63 11.038 -12.041 -4.899 488 H THR 64 HN THR 64 11.886 -8.577 -5.468 489 HA THR 64 HA THR 64 14.440 -8.289 -4.208 490 HB THR 64 HB THR 64 15.416 -9.050 -6.584 491 HG1 THR 64 HG1 THR 64 13.849 -11.255 -6.359 492 HG21 THR 64 HG21 THR 64 16.289 -9.851 -4.438 493 HG22 THR 64 HG22 THR 64 16.083 -11.208 -5.549 494 HG23 THR 64 HG23 THR 64 14.904 -10.928 -4.268 495 HA PRO 65 HA PRO 65 14.334 -4.631 -6.934 496 HB2 PRO 65 HB2 PRO 65 17.243 -4.552 -6.290 497 HB3 PRO 65 HB1 PRO 65 16.034 -3.271 -6.133 498 HG2 PRO 65 HG2 PRO 65 16.973 -4.511 -3.969 499 HG3 PRO 65 HG1 PRO 65 15.263 -4.060 -4.096 500 HD2 PRO 65 HD2 PRO 65 16.555 -6.734 -4.512 501 HD3 PRO 65 HD1 PRO 65 15.043 -6.341 -3.636 502 HA PRO 66 HA PRO 66 17.569 -6.779 -10.015 503 HB2 PRO 66 HB2 PRO 66 18.659 -9.154 -9.195 504 HB3 PRO 66 HB1 PRO 66 19.379 -7.615 -8.683 505 HG2 PRO 66 HG2 PRO 66 17.394 -9.237 -7.189 506 HG3 PRO 66 HG1 PRO 66 19.001 -8.686 -6.667 507 HD2 PRO 66 HD2 PRO 66 16.852 -7.450 -6.075 508 HD3 PRO 66 HD1 PRO 66 18.306 -6.489 -6.526 509 HA PRO 67 HA PRO 67 14.320 -9.586 -11.359 510 HB2 PRO 67 HB2 PRO 67 16.226 -11.364 -12.747 511 HB3 PRO 67 HB1 PRO 67 14.916 -10.385 -13.415 512 HG2 PRO 67 HG2 PRO 67 17.487 -9.730 -13.789 513 HG3 PRO 67 HG1 PRO 67 16.229 -8.495 -13.588 514 HD2 PRO 67 HD2 PRO 67 18.240 -9.496 -11.610 515 HD3 PRO 67 HD1 PRO 67 17.675 -7.843 -11.901 516 H SER 68 HN SER 68 17.132 -11.681 -10.897 517 HA SER 68 HA SER 68 15.511 -13.356 -9.130 518 HB2 SER 68 HB2 SER 68 17.051 -15.203 -10.088 519 HB3 SER 68 HB1 SER 68 15.705 -14.605 -11.072 520 HG SER 68 HG SER 68 17.718 -14.744 -12.214 521 H ALA 69 HN ALA 69 18.162 -11.408 -9.368 522 HA ALA 69 HA ALA 69 19.889 -10.832 -8.041 523 HB1 ALA 69 HB1 ALA 69 18.282 -10.864 -6.244 524 HB2 ALA 69 HB2 ALA 69 19.851 -11.418 -5.663 525 HB3 ALA 69 HB3 ALA 69 18.554 -12.591 -5.960 526 H GLN 70 HN GLN 70 20.097 -12.967 -9.817 527 HA GLN 70 HA GLN 70 21.678 -15.057 -8.834 528 HB2 GLN 70 HB2 GLN 70 21.594 -13.837 -11.608 529 HB3 GLN 70 HB1 GLN 70 22.476 -15.302 -11.199 530 HG2 GLN 70 HG2 GLN 70 20.456 -16.431 -10.650 531 HG3 GLN 70 HG1 GLN 70 19.520 -14.948 -10.799 532 HE21 GLN 70 HE21 GLN 70 22.042 -15.839 -13.055 533 HE22 GLN 70 HE22 GLN 70 20.992 -16.153 -14.385 534 HA PRO 71 HA PRO 71 25.526 -12.359 -9.281 535 HB2 PRO 71 HB2 PRO 71 24.935 -9.628 -9.927 536 HB3 PRO 71 HB1 PRO 71 25.822 -10.790 -10.917 537 HG2 PRO 71 HG2 PRO 71 23.366 -9.745 -11.594 538 HG3 PRO 71 HG1 PRO 71 23.984 -11.301 -12.175 539 HD2 PRO 71 HD2 PRO 71 22.097 -10.731 -9.922 540 HD3 PRO 71 HD1 PRO 71 22.011 -12.006 -11.154 541 H TRP 72 HN TRP 72 25.775 -12.344 -7.139 542 HA TRP 72 HA TRP 72 24.136 -10.608 -5.493 543 HB2 TRP 72 HB2 TRP 72 24.291 -12.956 -4.856 544 HB3 TRP 72 HB1 TRP 72 26.042 -12.837 -4.761 545 HD1 TRP 72 HD1 TRP 72 27.067 -11.536 -2.659 546 HE1 TRP 72 HE1 TRP 72 26.120 -10.937 -0.395 547 HE3 TRP 72 HE3 TRP 72 22.131 -12.371 -3.662 548 HZ2 TRP 72 HZ2 TRP 72 23.560 -10.879 0.875 549 HZ3 TRP 72 HZ3 TRP 72 20.494 -12.035 -1.859 550 HH2 TRP 72 HH2 TRP 72 21.196 -11.305 0.358 551 H LYS 73 HN LYS 73 24.944 -8.985 -4.250 552 HA LYS 73 HA LYS 73 27.817 -8.468 -4.481 553 HB2 LYS 73 HB2 LYS 73 26.639 -6.799 -5.796 554 HB3 LYS 73 HB1 LYS 73 25.540 -6.473 -4.469 555 HG2 LYS 73 HG2 LYS 73 27.146 -4.682 -4.682 556 HG3 LYS 73 HG1 LYS 73 27.405 -5.547 -3.169 557 HD2 LYS 73 HD2 LYS 73 29.242 -6.806 -4.262 558 HD3 LYS 73 HD1 LYS 73 29.016 -5.822 -5.709 559 HE2 LYS 73 HE2 LYS 73 30.851 -4.945 -4.366 560 HE3 LYS 73 HE1 LYS 73 29.512 -3.799 -4.396 561 HZ1 LYS 73 HZ1 LYS 73 30.092 -5.695 -2.179 562 HZ2 LYS 73 HZ2 LYS 73 28.868 -4.539 -2.173 563 HZ3 LYS 73 HZ3 LYS 73 30.474 -4.071 -2.167 564 H GLY 74 HN GLY 74 25.006 -7.790 -2.483 565 HA2 GLY 74 HA2 GLY 74 25.823 -8.774 -0.117 566 HA3 GLY 74 HA1 GLY 74 26.617 -7.190 -0.174 567 H ASP 75 HN ASP 75 23.610 -8.637 -1.036 568 HA ASP 75 HA ASP 75 22.205 -6.151 -0.696 569 HB2 ASP 75 HB2 ASP 75 21.347 -8.849 -1.717 570 HB3 ASP 75 HB1 ASP 75 20.366 -7.387 -1.733 571 HA PRO 76 HA PRO 76 20.713 -7.750 3.258 572 HB2 PRO 76 HB2 PRO 76 20.062 -5.394 4.337 573 HB3 PRO 76 HB1 PRO 76 21.746 -5.917 4.204 574 HG2 PRO 76 HG2 PRO 76 20.244 -3.937 2.558 575 HG3 PRO 76 HG1 PRO 76 21.937 -3.919 3.068 576 HD2 PRO 76 HD2 PRO 76 20.993 -4.735 0.560 577 HD3 PRO 76 HD1 PRO 76 22.597 -5.082 1.225 578 H VAL 77 HN VAL 77 18.620 -7.711 4.319 579 HA VAL 77 HA VAL 77 16.412 -7.881 2.610 580 HB VAL 77 HB VAL 77 16.615 -9.042 4.811 581 HG11 VAL 77 HG11 VAL 77 15.991 -7.898 6.885 582 HG12 VAL 77 HG12 VAL 77 15.978 -6.366 6.015 583 HG13 VAL 77 HG13 VAL 77 17.482 -7.272 6.181 584 HG21 VAL 77 HG21 VAL 77 14.246 -8.860 5.489 585 HG22 VAL 77 HG22 VAL 77 14.436 -8.979 3.743 586 HG23 VAL 77 HG23 VAL 77 14.090 -7.415 4.487 587 H GLU 78 HN GLU 78 17.817 -5.203 4.120 588 HA GLU 78 HA GLU 78 15.704 -3.373 4.328 589 HB2 GLU 78 HB2 GLU 78 18.630 -2.868 3.777 590 HB3 GLU 78 HB1 GLU 78 17.476 -1.674 4.350 591 HG2 GLU 78 HG2 GLU 78 17.189 -2.866 6.417 592 HG3 GLU 78 HG1 GLU 78 18.198 -4.185 5.831 593 H GLN 79 HN GLN 79 17.413 -4.584 1.553 594 HA GLN 79 HA GLN 79 16.500 -2.381 -0.106 595 HB2 GLN 79 HB2 GLN 79 18.136 -4.803 -0.853 596 HB3 GLN 79 HB1 GLN 79 17.765 -3.451 -1.915 597 HG2 GLN 79 HG2 GLN 79 19.393 -3.339 0.614 598 HG3 GLN 79 HG1 GLN 79 19.995 -3.264 -1.041 599 HE21 GLN 79 HE21 GLN 79 17.914 -1.482 -2.002 600 HE22 GLN 79 HE22 GLN 79 18.237 0.054 -1.295 601 H LEU 80 HN LEU 80 15.406 -5.385 0.950 602 HA LEU 80 HA LEU 80 13.932 -6.068 -1.449 603 HB2 LEU 80 HB2 LEU 80 13.780 -7.276 1.318 604 HB3 LEU 80 HB1 LEU 80 13.044 -7.933 -0.128 605 HG LEU 80 HG LEU 80 16.003 -7.726 0.442 606 HD11 LEU 80 HD11 LEU 80 14.904 -9.480 1.695 607 HD12 LEU 80 HD12 LEU 80 15.927 -10.160 0.429 608 HD13 LEU 80 HD13 LEU 80 14.177 -10.101 0.211 609 HD21 LEU 80 HD21 LEU 80 16.296 -8.980 -1.660 610 HD22 LEU 80 HD22 LEU 80 15.612 -7.382 -1.921 611 HD23 LEU 80 HD23 LEU 80 14.568 -8.804 -1.988 612 H VAL 81 HN VAL 81 13.612 -4.002 1.056 613 HA VAL 81 HA VAL 81 10.727 -3.777 0.721 614 HB VAL 81 HB VAL 81 12.540 -2.671 2.903 615 HG11 VAL 81 HG11 VAL 81 10.465 -1.941 4.000 616 HG12 VAL 81 HG12 VAL 81 9.537 -2.499 2.607 617 HG13 VAL 81 HG13 VAL 81 10.672 -1.162 2.430 618 HG21 VAL 81 HG21 VAL 81 12.164 -5.088 3.066 619 HG22 VAL 81 HG22 VAL 81 10.421 -4.805 3.036 620 HG23 VAL 81 HG23 VAL 81 11.391 -4.216 4.385 621 H ARG 82 HN ARG 82 10.372 -2.409 -0.843 622 HA ARG 82 HA ARG 82 12.382 -0.425 -1.492 623 HB2 ARG 82 HB2 ARG 82 9.843 -1.121 -2.918 624 HB3 ARG 82 HB1 ARG 82 11.042 0.036 -3.475 625 HG2 ARG 82 HG2 ARG 82 12.695 -1.930 -3.306 626 HG3 ARG 82 HG1 ARG 82 11.239 -2.932 -3.294 627 HD2 ARG 82 HD2 ARG 82 10.501 -1.646 -5.309 628 HD3 ARG 82 HD1 ARG 82 12.130 -0.956 -5.279 629 HE ARG 82 HE ARG 82 12.331 -3.749 -5.254 630 HH11 ARG 82 HH11 ARG 82 11.748 -1.077 -7.484 631 HH12 ARG 82 HH12 ARG 82 11.837 -2.013 -8.893 632 HH21 ARG 82 HH21 ARG 82 12.520 -5.105 -7.275 633 HH22 ARG 82 HH22 ARG 82 12.328 -4.327 -8.759 634 H HIS 83 HN HIS 83 11.918 1.740 -1.686 635 HA HIS 83 HA HIS 83 9.690 2.587 0.008 636 HB2 HIS 83 HB2 HIS 83 12.569 3.454 0.174 637 HB3 HIS 83 HB1 HIS 83 11.264 4.418 0.851 638 HD1 HIS 83 HD1 HIS 83 13.454 1.529 1.636 639 HD2 HIS 83 HD2 HIS 83 9.845 3.101 2.961 640 HE1 HIS 83 HE1 HIS 83 13.018 0.487 3.870 641 H PHE 84 HN PHE 84 8.431 3.921 -0.900 642 HA PHE 84 HA PHE 84 9.412 5.818 -2.907 643 HB2 PHE 84 HB2 PHE 84 6.837 4.209 -2.974 644 HB3 PHE 84 HB1 PHE 84 7.228 5.488 -4.107 645 HD1 PHE 84 HD2 PHE 84 9.428 5.124 -5.489 646 HD2 PHE 84 HD1 PHE 84 7.322 2.000 -3.493 647 HE1 PHE 84 HE2 PHE 84 10.507 3.460 -6.943 648 HE2 PHE 84 HE1 PHE 84 8.403 0.344 -4.935 649 HZ PHE 84 HZ PHE 84 9.995 1.068 -6.668 650 H LEU 85 HN LEU 85 8.019 7.797 -2.874 651 HA LEU 85 HA LEU 85 6.417 7.860 -0.441 652 HB2 LEU 85 HB2 LEU 85 7.055 10.212 -0.000 653 HB3 LEU 85 HB1 LEU 85 8.346 9.057 0.230 654 HG LEU 85 HG LEU 85 8.218 10.474 -2.385 655 HD11 LEU 85 HD11 LEU 85 7.825 12.245 -0.734 656 HD12 LEU 85 HD12 LEU 85 9.449 12.362 -1.412 657 HD13 LEU 85 HD13 LEU 85 9.205 11.671 0.200 658 HD21 LEU 85 HD21 LEU 85 10.635 10.348 -2.142 659 HD22 LEU 85 HD22 LEU 85 9.901 8.749 -1.895 660 HD23 LEU 85 HD23 LEU 85 10.427 9.710 -0.508 661 H ILE 86 HN ILE 86 4.595 8.737 -0.475 662 HA ILE 86 HA ILE 86 3.517 9.603 -3.031 663 HB ILE 86 HB ILE 86 2.197 8.950 -0.397 664 HG12 ILE 86 HG12 ILE 86 2.197 7.340 -2.937 665 HG13 ILE 86 HG11 ILE 86 3.352 7.050 -1.633 666 HG21 ILE 86 HG21 ILE 86 1.007 9.506 -3.121 667 HG22 ILE 86 HG22 ILE 86 0.898 10.532 -1.688 668 HG23 ILE 86 HG23 ILE 86 0.101 8.961 -1.703 669 HD11 ILE 86 HD11 ILE 86 1.518 6.513 -0.148 670 HD12 ILE 86 HD12 ILE 86 1.482 5.492 -1.589 671 HD13 ILE 86 HD13 ILE 86 0.361 6.849 -1.432 672 H GLU 87 HN GLU 87 3.595 11.701 -3.327 673 HA GLU 87 HA GLU 87 3.506 13.482 -1.005 674 HB2 GLU 87 HB2 GLU 87 4.110 14.108 -3.884 675 HB3 GLU 87 HB1 GLU 87 4.279 15.190 -2.516 676 HG2 GLU 87 HG2 GLU 87 6.047 13.773 -1.618 677 HG3 GLU 87 HG1 GLU 87 5.866 12.688 -2.994 678 H THR 88 HN THR 88 1.657 14.538 -0.641 679 HA THR 88 HA THR 88 -0.282 14.463 -2.790 680 HB THR 88 HB THR 88 -1.098 13.486 -0.749 681 HG1 THR 88 HG1 THR 88 -2.376 16.031 -0.983 682 HG21 THR 88 HG21 THR 88 -0.456 16.088 0.580 683 HG22 THR 88 HG22 THR 88 0.285 14.487 0.820 684 HG23 THR 88 HG23 THR 88 -1.397 14.761 1.305 685 H GLY 89 HN GLY 89 -0.477 16.085 -3.960 686 HA2 GLY 89 HA2 GLY 89 0.405 18.700 -2.941 687 HA3 GLY 89 HA1 GLY 89 0.607 18.167 -4.613 688 HA PRO 90 HA PRO 90 -3.295 20.708 -4.165 689 HB2 PRO 90 HB2 PRO 90 -2.838 22.137 -6.466 690 HB3 PRO 90 HB1 PRO 90 -2.301 22.655 -4.864 691 HG2 PRO 90 HG2 PRO 90 -0.774 21.257 -7.025 692 HG3 PRO 90 HG1 PRO 90 -0.267 22.605 -5.988 693 HD2 PRO 90 HD2 PRO 90 0.529 20.098 -5.522 694 HD3 PRO 90 HD1 PRO 90 0.154 21.208 -4.185 695 H LYS 91 HN LYS 91 -1.873 18.812 -6.627 696 HA LYS 91 HA LYS 91 -4.291 18.661 -8.238 697 HB2 LYS 91 HB2 LYS 91 -1.613 17.303 -8.514 698 HB3 LYS 91 HB1 LYS 91 -2.945 17.094 -9.637 699 HG2 LYS 91 HG2 LYS 91 -1.651 19.743 -9.030 700 HG3 LYS 91 HG1 LYS 91 -1.211 18.696 -10.381 701 HD2 LYS 91 HD2 LYS 91 -3.432 18.849 -11.278 702 HD3 LYS 91 HD1 LYS 91 -3.977 19.814 -9.905 703 HE2 LYS 91 HE2 LYS 91 -2.412 21.584 -10.544 704 HE3 LYS 91 HE1 LYS 91 -1.867 20.613 -11.912 705 HZ1 LYS 91 HZ1 LYS 91 -4.631 21.658 -11.533 706 HZ2 LYS 91 HZ2 LYS 91 -4.086 20.715 -12.820 707 HZ3 LYS 91 HZ3 LYS 91 -3.464 22.249 -12.602 708 H GLY 92 HN GLY 92 -2.434 16.625 -6.040 709 HA2 GLY 92 HA2 GLY 92 -4.361 15.167 -4.950 710 HA3 GLY 92 HA1 GLY 92 -4.101 14.335 -6.484 711 H VAL 93 HN VAL 93 -3.325 12.530 -5.269 712 HA VAL 93 HA VAL 93 -0.761 13.015 -3.948 713 HB VAL 93 HB VAL 93 -1.060 10.944 -2.748 714 HG11 VAL 93 HG11 VAL 93 -2.370 12.862 -1.916 715 HG12 VAL 93 HG12 VAL 93 -3.054 11.304 -1.475 716 HG13 VAL 93 HG13 VAL 93 -3.767 12.241 -2.790 717 HG21 VAL 93 HG21 VAL 93 -3.515 10.394 -4.422 718 HG22 VAL 93 HG22 VAL 93 -2.954 9.410 -3.067 719 HG23 VAL 93 HG23 VAL 93 -1.976 9.540 -4.533 720 H LYS 94 HN LYS 94 1.098 12.225 -4.904 721 HA LYS 94 HA LYS 94 0.787 10.115 -6.873 722 HB2 LYS 94 HB2 LYS 94 1.948 11.153 -8.650 723 HB3 LYS 94 HB1 LYS 94 0.800 12.345 -8.105 724 HG2 LYS 94 HG2 LYS 94 3.764 12.320 -7.533 725 HG3 LYS 94 HG1 LYS 94 2.955 13.329 -8.722 726 HD2 LYS 94 HD2 LYS 94 1.657 14.299 -6.740 727 HD3 LYS 94 HD1 LYS 94 2.843 13.481 -5.719 728 HE2 LYS 94 HE2 LYS 94 3.421 15.550 -7.843 729 HE3 LYS 94 HE1 LYS 94 3.503 15.793 -6.104 730 HZ1 LYS 94 HZ1 LYS 94 5.650 15.456 -7.250 731 HZ2 LYS 94 HZ2 LYS 94 5.257 13.873 -7.581 732 HZ3 LYS 94 HZ3 LYS 94 5.445 14.402 -5.977 733 H ILE 95 HN ILE 95 2.792 9.024 -7.389 734 HA ILE 95 HA ILE 95 4.295 8.869 -4.913 735 HB ILE 95 HB ILE 95 4.339 6.883 -7.212 736 HG12 ILE 95 HG12 ILE 95 2.717 6.746 -4.671 737 HG13 ILE 95 HG11 ILE 95 2.011 7.182 -6.224 738 HG21 ILE 95 HG21 ILE 95 5.085 6.668 -4.285 739 HG22 ILE 95 HG22 ILE 95 6.217 6.778 -5.633 740 HG23 ILE 95 HG23 ILE 95 5.178 5.362 -5.470 741 HD11 ILE 95 HD11 ILE 95 1.552 4.872 -5.675 742 HD12 ILE 95 HD12 ILE 95 3.273 4.555 -5.460 743 HD13 ILE 95 HD13 ILE 95 2.642 4.943 -7.062 744 H LYS 96 HN LYS 96 6.318 9.441 -4.755 745 HA LYS 96 HA LYS 96 7.817 10.167 -7.150 746 HB2 LYS 96 HB2 LYS 96 7.630 11.984 -5.587 747 HB3 LYS 96 HB1 LYS 96 8.140 10.967 -4.258 748 HG2 LYS 96 HG2 LYS 96 10.389 10.865 -5.084 749 HG3 LYS 96 HG1 LYS 96 9.928 11.654 -6.589 750 HD2 LYS 96 HD2 LYS 96 9.627 12.955 -3.893 751 HD3 LYS 96 HD1 LYS 96 11.083 13.116 -4.879 752 HE2 LYS 96 HE2 LYS 96 9.817 14.132 -6.665 753 HE3 LYS 96 HE1 LYS 96 8.306 13.808 -5.818 754 HZ1 LYS 96 HZ1 LYS 96 8.924 15.321 -4.117 755 HZ2 LYS 96 HZ2 LYS 96 8.940 16.068 -5.612 756 HZ3 LYS 96 HZ3 LYS 96 10.411 15.684 -4.874 757 H GLY 97 HN GLY 97 9.862 9.435 -7.459 758 HA2 GLY 97 HA2 GLY 97 11.680 7.938 -7.018 759 HA3 GLY 97 HA1 GLY 97 10.600 7.007 -5.966 760 H CYS 98 HN CYS 98 9.028 8.128 -8.589 761 HA CYS 98 HA CYS 98 9.202 5.574 -10.036 762 HB2 CYS 98 HB2 CYS 98 6.864 7.420 -9.596 763 HB3 CYS 98 HB1 CYS 98 6.834 5.859 -10.419 764 HG CYS 98 HG CYS 98 5.684 5.249 -8.171 765 HA PRO 99 HA PRO 99 10.161 7.944 -13.663 766 HB2 PRO 99 HB2 PRO 99 8.475 6.631 -15.476 767 HB3 PRO 99 HB1 PRO 99 10.121 6.134 -15.080 768 HG2 PRO 99 HG2 PRO 99 7.527 5.098 -14.027 769 HG3 PRO 99 HG1 PRO 99 9.018 4.218 -14.395 770 HD2 PRO 99 HD2 PRO 99 8.318 4.796 -11.880 771 HD3 PRO 99 HD1 PRO 99 10.017 4.837 -12.398 772 H SER 100 HN SER 100 6.731 6.986 -13.653 773 HA SER 100 HA SER 100 5.799 9.685 -13.327 774 HB2 SER 100 HB2 SER 100 5.194 8.260 -15.901 775 HB3 SER 100 HB1 SER 100 4.553 9.813 -15.375 776 HG SER 100 HG SER 100 7.231 9.900 -15.272 777 H GLU 101 HN GLU 101 4.298 9.159 -11.776 778 HA GLU 101 HA GLU 101 2.263 7.329 -12.653 779 HB2 GLU 101 HB2 GLU 101 3.496 7.463 -9.907 780 HB3 GLU 101 HB1 GLU 101 1.995 6.568 -10.250 781 HG2 GLU 101 HG2 GLU 101 3.341 5.273 -11.946 782 HG3 GLU 101 HG1 GLU 101 4.779 6.039 -11.302 783 HA PRO 102 HA PRO 102 -0.143 10.881 -12.380 784 HB2 PRO 102 HB2 PRO 102 -2.617 9.825 -12.249 785 HB3 PRO 102 HB1 PRO 102 -1.623 9.770 -13.707 786 HG2 PRO 102 HG2 PRO 102 -2.078 7.663 -11.629 787 HG3 PRO 102 HG1 PRO 102 -2.053 7.503 -13.394 788 HD2 PRO 102 HD2 PRO 102 0.064 6.822 -11.856 789 HD3 PRO 102 HD1 PRO 102 0.251 7.489 -13.490 790 H TYR 103 HN TYR 103 -2.082 11.859 -11.296 791 HA TYR 103 HA TYR 103 -1.638 11.827 -8.438 792 HB2 TYR 103 HB2 TYR 103 -3.455 13.586 -10.096 793 HB3 TYR 103 HB1 TYR 103 -3.051 13.812 -8.404 794 HD1 TYR 103 HD1 TYR 103 -0.580 14.274 -7.847 795 HD2 TYR 103 HD2 TYR 103 -2.204 14.609 -11.761 796 HE1 TYR 103 HE1 TYR 103 1.279 15.747 -8.494 797 HE2 TYR 103 HE2 TYR 103 -0.352 16.079 -12.415 798 HH TYR 103 HH TYR 103 1.244 17.574 -11.334 799 H PHE 104 HN PHE 104 -2.746 10.439 -7.342 800 HA PHE 104 HA PHE 104 -5.392 9.591 -8.187 801 HB2 PHE 104 HB2 PHE 104 -3.703 8.701 -5.824 802 HB3 PHE 104 HB1 PHE 104 -5.230 7.977 -6.317 803 HD1 PHE 104 HD1 PHE 104 -5.364 6.645 -8.369 804 HD2 PHE 104 HD2 PHE 104 -1.659 8.227 -6.998 805 HE1 PHE 104 HE1 PHE 104 -4.153 5.106 -9.861 806 HE2 PHE 104 HE2 PHE 104 -0.445 6.690 -8.498 807 HZ PHE 104 HZ PHE 104 -1.696 5.132 -9.927 808 H GLY 105 HN GLY 105 -7.176 9.660 -6.522 809 HA2 GLY 105 HA2 GLY 105 -7.493 12.290 -5.524 810 HA3 GLY 105 HA1 GLY 105 -8.540 10.926 -5.181 811 H SER 106 HN SER 106 -7.253 9.266 -3.725 812 HA SER 106 HA SER 106 -5.903 10.700 -1.581 813 HB2 SER 106 HB2 SER 106 -8.233 8.792 -1.282 814 HB3 SER 106 HB1 SER 106 -7.329 9.489 0.057 815 HG SER 106 HG SER 106 -7.995 11.552 -1.296 816 H LEU 107 HN LEU 107 -4.988 8.949 -0.018 817 HA LEU 107 HA LEU 107 -3.190 7.292 -1.322 818 HB2 LEU 107 HB2 LEU 107 -4.339 6.987 1.448 819 HB3 LEU 107 HB1 LEU 107 -2.921 6.142 0.861 820 HG LEU 107 HG LEU 107 -3.169 9.124 1.245 821 HD11 LEU 107 HD11 LEU 107 -3.069 7.922 3.351 822 HD12 LEU 107 HD12 LEU 107 -1.558 8.782 3.049 823 HD13 LEU 107 HD13 LEU 107 -1.648 7.039 2.791 824 HD21 LEU 107 HD21 LEU 107 -1.703 8.591 -0.603 825 HD22 LEU 107 HD22 LEU 107 -0.837 7.425 0.399 826 HD23 LEU 107 HD23 LEU 107 -0.767 9.144 0.785 827 H SER 108 HN SER 108 -6.291 6.439 0.158 828 HA SER 108 HA SER 108 -6.370 3.762 -0.160 829 HB2 SER 108 HB2 SER 108 -8.657 5.673 -0.515 830 HB3 SER 108 HB1 SER 108 -8.710 4.030 0.144 831 HG SER 108 HG SER 108 -8.472 4.995 1.941 832 H ALA 109 HN ALA 109 -6.784 6.206 -2.662 833 HA ALA 109 HA ALA 109 -8.175 4.551 -4.527 834 HB1 ALA 109 HB1 ALA 109 -6.647 7.109 -5.000 835 HB2 ALA 109 HB2 ALA 109 -8.359 6.993 -4.598 836 HB3 ALA 109 HB3 ALA 109 -7.765 6.353 -6.134 837 H LEU 110 HN LEU 110 -4.769 5.332 -3.981 838 HA LEU 110 HA LEU 110 -4.038 3.837 -6.327 839 HB2 LEU 110 HB2 LEU 110 -1.671 4.249 -5.635 840 HB3 LEU 110 HB1 LEU 110 -2.616 5.693 -5.877 841 HG LEU 110 HG LEU 110 -2.871 5.688 -3.299 842 HD11 LEU 110 HD11 LEU 110 -1.022 4.709 -2.069 843 HD12 LEU 110 HD12 LEU 110 -0.428 3.947 -3.545 844 HD13 LEU 110 HD13 LEU 110 -1.989 3.467 -2.867 845 HD21 LEU 110 HD21 LEU 110 -0.822 6.943 -3.060 846 HD22 LEU 110 HD22 LEU 110 -1.633 7.334 -4.582 847 HD23 LEU 110 HD23 LEU 110 -0.217 6.281 -4.577 848 H VAL 111 HN VAL 111 -4.603 3.257 -3.084 849 HA VAL 111 HA VAL 111 -3.237 0.790 -2.827 850 HB VAL 111 HB VAL 111 -5.602 1.926 -1.291 851 HG11 VAL 111 HG11 VAL 111 -5.083 0.255 0.438 852 HG12 VAL 111 HG12 VAL 111 -3.879 -0.458 -0.641 853 HG13 VAL 111 HG13 VAL 111 -5.585 -0.493 -1.078 854 HG21 VAL 111 HG21 VAL 111 -3.941 2.397 0.432 855 HG22 VAL 111 HG22 VAL 111 -3.569 3.219 -1.086 856 HG23 VAL 111 HG23 VAL 111 -2.672 1.771 -0.626 857 H SER 112 HN SER 112 -6.567 1.681 -3.733 858 HA SER 112 HA SER 112 -7.303 -1.005 -4.184 859 HB2 SER 112 HB2 SER 112 -9.283 0.106 -5.327 860 HB3 SER 112 HB1 SER 112 -9.004 0.499 -3.625 861 HG SER 112 HG SER 112 -9.144 2.170 -5.664 862 H GLN 113 HN GLN 113 -6.225 1.625 -6.317 863 HA GLN 113 HA GLN 113 -6.464 -0.000 -8.674 864 HB2 GLN 113 HB2 GLN 113 -5.129 2.683 -8.284 865 HB3 GLN 113 HB1 GLN 113 -5.362 1.894 -9.839 866 HG2 GLN 113 HG2 GLN 113 -7.772 1.996 -9.550 867 HG3 GLN 113 HG1 GLN 113 -7.564 2.719 -7.960 868 HE21 GLN 113 HE21 GLN 113 -5.621 3.545 -10.793 869 HE22 GLN 113 HE22 GLN 113 -6.225 5.140 -10.937 870 H HIS 114 HN HIS 114 -4.516 -0.529 -6.344 871 HA HIS 114 HA HIS 114 -1.845 -0.600 -7.067 872 HB2 HIS 114 HB2 HIS 114 -1.578 -2.334 -5.422 873 HB3 HIS 114 HB1 HIS 114 -2.861 -1.287 -4.844 874 HD1 HIS 114 HD1 HIS 114 -5.443 -2.386 -5.294 875 HD2 HIS 114 HD2 HIS 114 -2.199 -4.978 -5.403 876 HE1 HIS 114 HE1 HIS 114 -6.398 -4.702 -5.210 877 H SER 115 HN SER 115 -4.456 -2.685 -8.020 878 HA SER 115 HA SER 115 -2.733 -4.635 -9.221 879 HB2 SER 115 HB2 SER 115 -4.939 -5.841 -9.256 880 HB3 SER 115 HB1 SER 115 -4.425 -5.266 -7.647 881 HG SER 115 HG SER 115 -6.657 -4.857 -8.428 882 H ILE 116 HN ILE 116 -4.177 -1.785 -10.056 883 HA ILE 116 HA ILE 116 -5.079 -2.690 -12.693 884 HB ILE 116 HB ILE 116 -5.772 -0.121 -11.234 885 HG12 ILE 116 HG12 ILE 116 -7.398 -2.652 -11.669 886 HG13 ILE 116 HG11 ILE 116 -6.745 -2.078 -10.149 887 HG21 ILE 116 HG21 ILE 116 -5.825 0.139 -13.667 888 HG22 ILE 116 HG22 ILE 116 -7.457 0.180 -13.000 889 HG23 ILE 116 HG23 ILE 116 -6.869 -1.277 -13.804 890 HD11 ILE 116 HD11 ILE 116 -8.201 -0.135 -10.213 891 HD12 ILE 116 HD12 ILE 116 -9.136 -1.627 -10.330 892 HD13 ILE 116 HD13 ILE 116 -8.839 -0.653 -11.771 893 H SER 117 HN SER 117 -3.154 -0.184 -11.028 894 HA SER 117 HA SER 117 -1.687 0.050 -13.519 895 HB2 SER 117 HB2 SER 117 -3.304 1.930 -13.410 896 HB3 SER 117 HB1 SER 117 -2.595 2.445 -11.879 897 HG SER 117 HG SER 117 -0.861 2.116 -14.006 898 HA PRO 118 HA PRO 118 1.448 -0.063 -10.271 899 HB2 PRO 118 HB2 PRO 118 2.476 -2.563 -10.789 900 HB3 PRO 118 HB1 PRO 118 1.121 -2.289 -9.712 901 HG2 PRO 118 HG2 PRO 118 1.094 -3.584 -12.305 902 HG3 PRO 118 HG1 PRO 118 -0.208 -3.468 -11.113 903 HD2 PRO 118 HD2 PRO 118 0.275 -1.823 -13.521 904 HD3 PRO 118 HD1 PRO 118 -1.222 -2.034 -12.586 905 H ILE 119 HN ILE 119 2.575 1.526 -11.408 906 HA ILE 119 HA ILE 119 3.791 0.821 -13.950 907 HB ILE 119 HB ILE 119 3.743 3.468 -12.487 908 HG12 ILE 119 HG12 ILE 119 2.001 2.517 -14.782 909 HG13 ILE 119 HG11 ILE 119 1.483 2.638 -13.110 910 HG21 ILE 119 HG21 ILE 119 5.588 3.310 -14.102 911 HG22 ILE 119 HG22 ILE 119 4.368 4.447 -14.677 912 HG23 ILE 119 HG23 ILE 119 4.457 2.827 -15.366 913 HD11 ILE 119 HD11 ILE 119 2.340 4.947 -14.845 914 HD12 ILE 119 HD12 ILE 119 1.715 5.047 -13.190 915 HD13 ILE 119 HD13 ILE 119 0.680 4.478 -14.489 916 H SER 120 HN SER 120 4.822 2.327 -10.922 917 HA SER 120 HA SER 120 7.550 1.528 -11.511 918 HB2 SER 120 HB2 SER 120 7.022 3.775 -10.647 919 HB3 SER 120 HB1 SER 120 6.409 3.048 -9.171 920 HG SER 120 HG SER 120 8.347 3.374 -8.574 921 H LEU 121 HN LEU 121 4.882 0.699 -9.464 922 HA LEU 121 HA LEU 121 6.272 -0.824 -7.537 923 HB2 LEU 121 HB2 LEU 121 3.402 -1.147 -8.428 924 HB3 LEU 121 HB1 LEU 121 4.105 -1.728 -6.934 925 HG LEU 121 HG LEU 121 3.753 1.179 -7.673 926 HD11 LEU 121 HD11 LEU 121 2.257 -0.547 -5.712 927 HD12 LEU 121 HD12 LEU 121 1.630 0.086 -7.235 928 HD13 LEU 121 HD13 LEU 121 2.047 1.190 -5.925 929 HD21 LEU 121 HD21 LEU 121 5.696 0.836 -6.231 930 HD22 LEU 121 HD22 LEU 121 4.707 -0.097 -5.106 931 HD23 LEU 121 HD23 LEU 121 4.387 1.619 -5.346 932 HA PRO 122 HA PRO 122 7.023 -4.357 -10.281 933 HB2 PRO 122 HB2 PRO 122 8.759 -5.635 -8.699 934 HB3 PRO 122 HB1 PRO 122 9.213 -4.160 -9.562 935 HG2 PRO 122 HG2 PRO 122 8.441 -4.535 -6.703 936 HG3 PRO 122 HG1 PRO 122 9.717 -3.515 -7.389 937 HD2 PRO 122 HD2 PRO 122 7.248 -2.594 -6.591 938 HD3 PRO 122 HD1 PRO 122 8.271 -1.792 -7.798 939 H CYS 123 HN CYS 123 5.438 -4.219 -7.387 940 HA CYS 123 HA CYS 123 4.289 -6.843 -7.696 941 HB2 CYS 123 HB2 CYS 123 5.410 -5.796 -5.065 942 HB3 CYS 123 HB1 CYS 123 4.467 -7.268 -5.258 943 HG CYS 123 HG CYS 123 6.866 -7.637 -7.311 944 H CYS 124 HN CYS 124 2.129 -6.797 -6.839 945 HA CYS 124 HA CYS 124 1.156 -4.110 -6.698 946 HB2 CYS 124 HB2 CYS 124 -0.307 -6.758 -6.900 947 HB3 CYS 124 HB1 CYS 124 -1.072 -5.171 -6.927 948 HG CYS 124 HG CYS 124 -0.334 -4.387 -9.267 949 H LEU 125 HN LEU 125 -0.192 -3.409 -4.996 950 HA LEU 125 HA LEU 125 0.853 -4.008 -2.424 951 HB2 LEU 125 HB2 LEU 125 -1.572 -2.363 -3.110 952 HB3 LEU 125 HB1 LEU 125 -0.641 -2.289 -1.635 953 HG LEU 125 HG LEU 125 0.291 -1.409 -4.366 954 HD11 LEU 125 HD11 LEU 125 -0.457 0.160 -1.913 955 HD12 LEU 125 HD12 LEU 125 -1.361 0.059 -3.423 956 HD13 LEU 125 HD13 LEU 125 0.227 0.831 -3.398 957 HD21 LEU 125 HD21 LEU 125 2.149 -2.267 -3.066 958 HD22 LEU 125 HD22 LEU 125 1.681 -1.264 -1.692 959 HD23 LEU 125 HD23 LEU 125 2.247 -0.509 -3.186 960 H ARG 126 HN ARG 126 0.270 -5.890 -1.439 961 HA ARG 126 HA ARG 126 -2.377 -6.956 -1.778 962 HB2 ARG 126 HB2 ARG 126 -0.513 -8.521 -1.620 963 HB3 ARG 126 HB1 ARG 126 -0.077 -7.879 -0.044 964 HG2 ARG 126 HG2 ARG 126 -1.228 -9.992 0.221 965 HG3 ARG 126 HG1 ARG 126 -2.212 -8.678 0.851 966 HD2 ARG 126 HD2 ARG 126 -3.495 -8.658 -1.217 967 HD3 ARG 126 HD1 ARG 126 -2.544 -10.025 -1.814 968 HE ARG 126 HE ARG 126 -3.412 -10.991 0.462 969 HH11 ARG 126 HH11 ARG 126 -5.155 -9.199 -2.021 970 HH12 ARG 126 HH12 ARG 126 -6.673 -9.901 -1.681 971 HH21 ARG 126 HH21 ARG 126 -5.498 -11.962 0.965 972 HH22 ARG 126 HH22 ARG 126 -6.867 -11.518 0.073 973 H ILE 127 HN ILE 127 -3.887 -5.784 -0.869 974 HA ILE 127 HA ILE 127 -3.592 -4.339 1.568 975 HB ILE 127 HB ILE 127 -6.209 -5.087 0.270 976 HG12 ILE 127 HG12 ILE 127 -6.039 -2.605 -0.621 977 HG13 ILE 127 HG11 ILE 127 -4.313 -2.859 -0.440 978 HG21 ILE 127 HG21 ILE 127 -7.066 -3.045 1.385 979 HG22 ILE 127 HG22 ILE 127 -5.469 -2.813 2.111 980 HG23 ILE 127 HG23 ILE 127 -6.417 -4.233 2.523 981 HD11 ILE 127 HD11 ILE 127 -5.091 -3.248 -2.757 982 HD12 ILE 127 HD12 ILE 127 -6.132 -4.533 -2.210 983 HD13 ILE 127 HD13 ILE 127 -4.392 -4.691 -2.078 984 HA PRO 128 HA PRO 128 -4.259 -7.899 4.229 985 HB2 PRO 128 HB2 PRO 128 -4.331 -6.558 6.583 986 HB3 PRO 128 HB1 PRO 128 -2.853 -6.876 5.658 987 HG2 PRO 128 HG2 PRO 128 -4.518 -4.381 5.693 988 HG3 PRO 128 HG1 PRO 128 -2.763 -4.538 5.895 989 HD2 PRO 128 HD2 PRO 128 -3.822 -3.864 3.548 990 HD3 PRO 128 HD1 PRO 128 -2.415 -4.947 3.631 991 H SER 129 HN SER 129 -6.240 -5.304 3.884 992 HA SER 129 HA SER 129 -8.429 -6.427 5.505 993 HB2 SER 129 HB2 SER 129 -7.746 -4.094 5.860 994 HB3 SER 129 HB1 SER 129 -8.248 -3.719 4.215 995 HG SER 129 HG SER 129 -10.315 -4.872 5.134 996 H LYS 130 HN LYS 130 -7.431 -6.520 2.278 997 HA LYS 130 HA LYS 130 -10.197 -6.802 1.440 998 HB2 LYS 130 HB2 LYS 130 -8.049 -5.396 -0.147 999 HB3 LYS 130 HB1 LYS 130 -9.573 -5.936 -0.814 1000 HG2 LYS 130 HG2 LYS 130 -9.329 -3.993 1.461 1001 HG3 LYS 130 HG1 LYS 130 -9.550 -3.538 -0.233 1002 HD2 LYS 130 HD2 LYS 130 -11.675 -4.750 -0.280 1003 HD3 LYS 130 HD1 LYS 130 -11.446 -5.231 1.400 1004 HE2 LYS 130 HE2 LYS 130 -11.511 -2.907 2.092 1005 HE3 LYS 130 HE1 LYS 130 -11.686 -2.397 0.413 1006 HZ1 LYS 130 HZ1 LYS 130 -13.638 -4.116 1.858 1007 HZ2 LYS 130 HZ2 LYS 130 -13.818 -3.476 0.310 1008 HZ3 LYS 130 HZ3 LYS 130 -13.799 -2.457 1.636 1009 H ASP 131 HN ASP 131 -10.683 -8.338 0.199 1010 HA ASP 131 HA ASP 131 -8.841 -10.528 -0.033 1011 HB2 ASP 131 HB2 ASP 131 -11.239 -10.868 0.546 1012 HB3 ASP 131 HB1 ASP 131 -11.665 -10.324 -1.076 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -24.605 -24.514 26.253 2 H2 MET 1 HT2 MET 1 -23.696 -24.619 24.860 3 H3 MET 1 HT3 MET 1 -23.620 -23.238 25.851 4 HA MET 1 HA MET 1 -22.695 -24.370 27.628 5 HB2 MET 1 HB2 MET 1 -22.004 -26.697 27.561 6 HB3 MET 1 HB1 MET 1 -23.723 -26.591 27.239 7 HG2 MET 1 HG2 MET 1 -23.294 -26.938 24.854 8 HG3 MET 1 HG1 MET 1 -21.568 -27.009 25.174 9 HE1 MET 1 HE1 MET 1 -22.395 -30.746 24.336 10 HE2 MET 1 HE2 MET 1 -21.367 -29.361 23.963 11 HE3 MET 1 HE3 MET 1 -23.092 -29.304 23.597 12 H HIS 2 HN HIS 2 -22.008 -23.830 24.329 13 HA HIS 2 HA HIS 2 -19.131 -24.121 24.750 14 HB2 HIS 2 HB2 HIS 2 -20.707 -23.549 22.216 15 HB3 HIS 2 HB1 HIS 2 -18.969 -23.758 22.309 16 HD1 HIS 2 HD1 HIS 2 -18.096 -26.188 22.229 17 HD2 HIS 2 HD2 HIS 2 -22.234 -25.907 22.476 18 HE1 HIS 2 HE1 HIS 2 -18.978 -28.492 21.768 19 H HIS 3 HN HIS 3 -17.938 -22.276 24.940 20 HA HIS 3 HA HIS 3 -19.435 -19.779 24.699 21 HB2 HIS 3 HB2 HIS 3 -17.685 -18.755 26.131 22 HB3 HIS 3 HB1 HIS 3 -18.498 -20.088 26.931 23 HD1 HIS 3 HD1 HIS 3 -17.034 -22.093 27.612 24 HD2 HIS 3 HD2 HIS 3 -14.984 -19.209 25.441 25 HE1 HIS 3 HE1 HIS 3 -14.584 -22.678 27.802 26 H HIS 4 HN HIS 4 -18.368 -17.968 23.771 27 HA HIS 4 HA HIS 4 -16.813 -18.597 21.473 28 HB2 HIS 4 HB2 HIS 4 -16.715 -16.119 21.119 29 HB3 HIS 4 HB1 HIS 4 -18.354 -16.674 21.401 30 HD1 HIS 4 HD1 HIS 4 -15.855 -14.279 22.592 31 HD2 HIS 4 HD2 HIS 4 -19.324 -16.018 24.060 32 HE1 HIS 4 HE1 HIS 4 -16.578 -12.875 24.565 33 H HIS 5 HN HIS 5 -14.626 -18.516 21.229 34 HA HIS 5 HA HIS 5 -13.176 -18.294 23.747 35 HB2 HIS 5 HB2 HIS 5 -11.339 -19.517 22.717 36 HB3 HIS 5 HB1 HIS 5 -12.842 -20.372 22.452 37 HD1 HIS 5 HD1 HIS 5 -9.868 -19.324 20.696 38 HD2 HIS 5 HD2 HIS 5 -13.857 -19.896 19.699 39 HE1 HIS 5 HE1 HIS 5 -9.937 -19.509 18.194 40 H HIS 6 HN HIS 6 -13.751 -16.451 21.050 41 HA HIS 6 HA HIS 6 -11.747 -14.545 21.945 42 HB2 HIS 6 HB2 HIS 6 -11.058 -13.941 19.675 43 HB3 HIS 6 HB1 HIS 6 -10.745 -15.650 19.926 44 HD1 HIS 6 HD1 HIS 6 -12.465 -13.288 17.669 45 HD2 HIS 6 HD2 HIS 6 -12.592 -17.355 18.517 46 HE1 HIS 6 HE1 HIS 6 -13.731 -14.351 15.786 47 H HIS 7 HN HIS 7 -12.262 -12.346 20.931 48 HA HIS 7 HA HIS 7 -15.168 -12.082 20.908 49 HB2 HIS 7 HB2 HIS 7 -13.036 -10.180 21.868 50 HB3 HIS 7 HB1 HIS 7 -14.698 -9.674 21.588 51 HD1 HIS 7 HD1 HIS 7 -15.880 -9.513 23.800 52 HD2 HIS 7 HD2 HIS 7 -13.148 -12.638 23.710 53 HE1 HIS 7 HE1 HIS 7 -16.035 -10.627 26.023 54 H SER 8 HN SER 8 -15.948 -10.191 19.691 55 HA SER 8 HA SER 8 -14.319 -9.169 17.553 56 HB2 SER 8 HB2 SER 8 -16.831 -10.808 17.031 57 HB3 SER 8 HB1 SER 8 -15.971 -9.863 15.816 58 HG SER 8 HG SER 8 -14.270 -11.465 17.091 59 H SER 9 HN SER 9 -14.813 -7.026 17.647 60 HA SER 9 HA SER 9 -17.198 -6.150 18.921 61 HB2 SER 9 HB2 SER 9 -15.120 -4.830 19.023 62 HB3 SER 9 HB1 SER 9 -15.196 -4.558 17.283 63 HG SER 9 HG SER 9 -16.042 -2.806 18.539 64 H GLY 10 HN GLY 10 -16.174 -6.643 15.613 65 HA2 GLY 10 HA2 GLY 10 -17.525 -7.052 13.796 66 HA3 GLY 10 HA1 GLY 10 -18.928 -6.684 14.787 67 H LEU 11 HN LEU 11 -19.007 -4.287 15.435 68 HA LEU 11 HA LEU 11 -18.954 -2.890 12.914 69 HB2 LEU 11 HB2 LEU 11 -21.012 -2.818 14.272 70 HB3 LEU 11 HB1 LEU 11 -20.145 -1.970 15.535 71 HG LEU 11 HG LEU 11 -19.801 -0.059 13.999 72 HD11 LEU 11 HD11 LEU 11 -21.062 0.055 11.906 73 HD12 LEU 11 HD12 LEU 11 -21.546 -1.628 12.108 74 HD13 LEU 11 HD13 LEU 11 -19.849 -1.221 11.872 75 HD21 LEU 11 HD21 LEU 11 -22.674 -0.918 14.313 76 HD22 LEU 11 HD22 LEU 11 -22.119 0.726 14.005 77 HD23 LEU 11 HD23 LEU 11 -21.703 -0.075 15.519 78 H VAL 12 HN VAL 12 -16.651 -3.019 13.094 79 HA VAL 12 HA VAL 12 -15.633 -0.493 14.140 80 HB VAL 12 HB VAL 12 -14.010 -3.049 13.684 81 HG11 VAL 12 HG11 VAL 12 -12.715 -1.078 13.054 82 HG12 VAL 12 HG12 VAL 12 -12.083 -1.799 14.537 83 HG13 VAL 12 HG13 VAL 12 -13.066 -0.338 14.616 84 HG21 VAL 12 HG21 VAL 12 -15.317 -3.075 15.746 85 HG22 VAL 12 HG22 VAL 12 -14.601 -1.537 16.227 86 HG23 VAL 12 HG23 VAL 12 -13.590 -2.975 16.087 87 HA PRO 13 HA PRO 13 -14.403 -0.715 9.612 88 HB2 PRO 13 HB2 PRO 13 -14.806 -2.913 8.098 89 HB3 PRO 13 HB1 PRO 13 -13.324 -2.707 9.039 90 HG2 PRO 13 HG2 PRO 13 -15.758 -4.323 9.681 91 HG3 PRO 13 HG1 PRO 13 -14.048 -4.753 9.876 92 HD2 PRO 13 HD2 PRO 13 -15.605 -3.874 11.926 93 HD3 PRO 13 HD1 PRO 13 -13.849 -3.607 11.827 94 H ARG 14 HN ARG 14 -15.823 0.179 8.196 95 HA ARG 14 HA ARG 14 -18.673 -0.415 8.495 96 HB2 ARG 14 HB2 ARG 14 -17.307 1.716 6.830 97 HB3 ARG 14 HB1 ARG 14 -18.983 1.677 7.352 98 HG2 ARG 14 HG2 ARG 14 -18.363 2.130 9.617 99 HG3 ARG 14 HG1 ARG 14 -16.653 1.949 9.228 100 HD2 ARG 14 HD2 ARG 14 -16.909 3.858 7.635 101 HD3 ARG 14 HD1 ARG 14 -18.532 4.097 8.283 102 HE ARG 14 HE ARG 14 -17.308 4.272 10.497 103 HH11 ARG 14 HH11 ARG 14 -16.026 5.453 7.393 104 HH12 ARG 14 HH12 ARG 14 -15.012 6.607 8.111 105 HH21 ARG 14 HH21 ARG 14 -15.855 5.917 11.451 106 HH22 ARG 14 HH22 ARG 14 -14.929 6.872 10.389 107 H GLY 15 HN GLY 15 -15.999 -0.157 6.300 108 HA2 GLY 15 HA2 GLY 15 -17.075 -2.282 4.654 109 HA3 GLY 15 HA1 GLY 15 -16.728 -0.751 3.851 110 H SER 16 HN SER 16 -14.690 -0.272 3.334 111 HA SER 16 HA SER 16 -12.706 -2.366 3.751 112 HB2 SER 16 HB2 SER 16 -12.754 0.003 1.883 113 HB3 SER 16 HB1 SER 16 -11.543 -1.288 1.881 114 HG SER 16 HG SER 16 -13.705 -1.298 0.533 115 H ASP 17 HN ASP 17 -13.166 -1.039 5.955 116 HA ASP 17 HA ASP 17 -11.466 1.234 6.493 117 HB2 ASP 17 HB2 ASP 17 -13.086 -0.610 8.168 118 HB3 ASP 17 HB1 ASP 17 -12.129 0.686 8.889 119 H THR 18 HN THR 18 -10.218 -1.222 5.550 120 HA THR 18 HA THR 18 -8.694 -2.105 7.820 121 HB THR 18 HB THR 18 -7.714 -3.595 5.924 122 HG1 THR 18 HG1 THR 18 -8.567 -2.518 4.120 123 HG21 THR 18 HG21 THR 18 -10.613 -3.797 6.790 124 HG22 THR 18 HG22 THR 18 -9.230 -4.388 7.707 125 HG23 THR 18 HG23 THR 18 -9.651 -5.134 6.170 126 H SER 19 HN SER 19 -8.559 0.604 6.469 127 HA SER 19 HA SER 19 -6.098 0.721 5.097 128 HB2 SER 19 HB2 SER 19 -7.755 2.960 6.275 129 HB3 SER 19 HB1 SER 19 -6.500 3.108 5.046 130 HG SER 19 HG SER 19 -8.087 1.275 4.124 131 H LYS 20 HN LYS 20 -7.031 1.104 8.485 132 HA LYS 20 HA LYS 20 -4.525 2.223 9.247 133 HB2 LYS 20 HB2 LYS 20 -5.108 1.911 11.567 134 HB3 LYS 20 HB1 LYS 20 -6.557 2.408 10.728 135 HG2 LYS 20 HG2 LYS 20 -5.948 -0.458 11.451 136 HG3 LYS 20 HG1 LYS 20 -6.842 0.646 12.489 137 HD2 LYS 20 HD2 LYS 20 -8.541 0.896 10.760 138 HD3 LYS 20 HD1 LYS 20 -7.628 -0.182 9.700 139 HE2 LYS 20 HE2 LYS 20 -9.449 -1.395 10.776 140 HE3 LYS 20 HE1 LYS 20 -7.880 -1.984 11.322 141 HZ1 LYS 20 HZ1 LYS 20 -9.466 -1.764 13.128 142 HZ2 LYS 20 HZ2 LYS 20 -9.626 -0.110 12.863 143 HZ3 LYS 20 HZ3 LYS 20 -8.154 -0.755 13.379 144 H PHE 21 HN PHE 21 -5.292 -0.820 8.202 145 HA PHE 21 HA PHE 21 -3.306 -2.243 9.672 146 HB2 PHE 21 HB2 PHE 21 -4.886 -2.902 7.210 147 HB3 PHE 21 HB1 PHE 21 -3.591 -3.939 7.775 148 HD1 PHE 21 HD1 PHE 21 -6.903 -2.598 8.559 149 HD2 PHE 21 HD2 PHE 21 -3.888 -5.373 9.611 150 HE1 PHE 21 HE1 PHE 21 -8.512 -3.789 10.009 151 HE2 PHE 21 HE2 PHE 21 -5.460 -6.572 11.050 152 HZ PHE 21 HZ PHE 21 -7.787 -5.779 11.261 153 H TRP 22 HN TRP 22 -3.352 -0.189 6.907 154 HA TRP 22 HA TRP 22 -0.600 -0.968 6.492 155 HB2 TRP 22 HB2 TRP 22 -0.763 -0.014 4.154 156 HB3 TRP 22 HB1 TRP 22 -1.620 -1.509 4.449 157 HD1 TRP 22 HD1 TRP 22 -4.156 -1.545 3.883 158 HE1 TRP 22 HE1 TRP 22 -5.790 0.135 2.848 159 HE3 TRP 22 HE3 TRP 22 -1.290 2.712 4.213 160 HZ2 TRP 22 HZ2 TRP 22 -5.860 2.919 2.229 161 HZ3 TRP 22 HZ3 TRP 22 -2.232 4.811 3.384 162 HH2 TRP 22 HH2 TRP 22 -4.458 4.912 2.427 163 H TYR 23 HN TYR 23 -2.667 1.753 7.088 164 HA TYR 23 HA TYR 23 -0.391 3.498 6.763 165 HB2 TYR 23 HB2 TYR 23 -2.768 4.204 6.171 166 HB3 TYR 23 HB1 TYR 23 -3.092 4.258 7.902 167 HD1 TYR 23 HD1 TYR 23 -0.923 5.661 5.262 168 HD2 TYR 23 HD2 TYR 23 -2.508 6.177 9.166 169 HE1 TYR 23 HE1 TYR 23 0.028 7.906 5.325 170 HE2 TYR 23 HE2 TYR 23 -1.557 8.448 9.257 171 HH TYR 23 HH TYR 23 0.421 9.682 8.126 172 H LYS 24 HN LYS 24 1.052 3.735 8.220 173 HA LYS 24 HA LYS 24 0.350 3.474 11.091 174 HB2 LYS 24 HB2 LYS 24 3.051 2.759 9.916 175 HB3 LYS 24 HB1 LYS 24 2.473 2.461 11.543 176 HG2 LYS 24 HG2 LYS 24 1.560 1.085 9.029 177 HG3 LYS 24 HG1 LYS 24 2.612 0.423 10.281 178 HD2 LYS 24 HD2 LYS 24 0.759 0.681 11.894 179 HD3 LYS 24 HD1 LYS 24 -0.267 1.214 10.545 180 HE2 LYS 24 HE2 LYS 24 0.159 -0.971 9.427 181 HE3 LYS 24 HE1 LYS 24 1.104 -1.447 10.811 182 HZ1 LYS 24 HZ1 LYS 24 -0.830 -1.279 12.219 183 HZ2 LYS 24 HZ2 LYS 24 -1.124 -2.334 10.968 184 HZ3 LYS 24 HZ3 LYS 24 -1.797 -0.777 10.938 185 HA PRO 25 HA PRO 25 1.778 7.697 9.872 186 HB2 PRO 25 HB2 PRO 25 0.944 8.864 12.247 187 HB3 PRO 25 HB1 PRO 25 0.071 8.780 10.713 188 HG2 PRO 25 HG2 PRO 25 -0.246 7.110 13.151 189 HG3 PRO 25 HG1 PRO 25 -1.461 7.615 11.973 190 HD2 PRO 25 HD2 PRO 25 -0.443 5.107 12.021 191 HD3 PRO 25 HD1 PRO 25 -0.963 5.896 10.521 192 H HIS 26 HN HIS 26 2.314 6.451 13.178 193 HA HIS 26 HA HIS 26 4.635 8.218 13.335 194 HB2 HIS 26 HB2 HIS 26 3.151 6.705 15.469 195 HB3 HIS 26 HB1 HIS 26 4.613 7.642 15.759 196 HD1 HIS 26 HD1 HIS 26 0.954 7.983 15.471 197 HD2 HIS 26 HD2 HIS 26 4.293 10.450 15.304 198 HE1 HIS 26 HE1 HIS 26 0.098 10.325 15.701 199 H LEU 27 HN LEU 27 4.424 5.421 11.992 200 HA LEU 27 HA LEU 27 6.333 3.969 13.607 201 HB2 LEU 27 HB2 LEU 27 4.439 2.947 12.213 202 HB3 LEU 27 HB1 LEU 27 5.466 3.248 10.825 203 HG LEU 27 HG LEU 27 7.220 1.825 11.890 204 HD11 LEU 27 HD11 LEU 27 6.571 2.017 14.207 205 HD12 LEU 27 HD12 LEU 27 6.480 0.321 13.722 206 HD13 LEU 27 HD13 LEU 27 5.012 1.279 13.863 207 HD21 LEU 27 HD21 LEU 27 6.114 -0.289 11.401 208 HD22 LEU 27 HD22 LEU 27 5.707 0.935 10.198 209 HD23 LEU 27 HD23 LEU 27 4.544 0.514 11.456 210 H SER 28 HN SER 28 8.457 3.566 13.019 211 HA SER 28 HA SER 28 9.585 5.562 11.230 212 HB2 SER 28 HB2 SER 28 10.419 5.361 13.582 213 HB3 SER 28 HB1 SER 28 10.974 3.735 13.192 214 HG SER 28 HG SER 28 12.019 6.188 12.520 215 H ARG 29 HN ARG 29 11.641 4.728 10.080 216 HA ARG 29 HA ARG 29 10.786 3.031 8.022 217 HB2 ARG 29 HB2 ARG 29 12.490 4.758 7.719 218 HB3 ARG 29 HB1 ARG 29 13.590 3.863 8.752 219 HG2 ARG 29 HG2 ARG 29 13.562 2.007 7.116 220 HG3 ARG 29 HG1 ARG 29 12.568 3.008 6.051 221 HD2 ARG 29 HD2 ARG 29 14.900 3.148 5.406 222 HD3 ARG 29 HD1 ARG 29 14.350 4.702 6.028 223 HE ARG 29 HE ARG 29 15.881 2.772 7.629 224 HH11 ARG 29 HH11 ARG 29 15.278 6.132 6.641 225 HH12 ARG 29 HH12 ARG 29 16.547 6.779 7.567 226 HH21 ARG 29 HH21 ARG 29 17.642 3.693 8.923 227 HH22 ARG 29 HH22 ARG 29 17.929 5.360 8.855 228 H ASP 30 HN ASP 30 13.128 2.428 10.625 229 HA ASP 30 HA ASP 30 13.899 -0.152 9.878 230 HB2 ASP 30 HB2 ASP 30 13.731 0.973 12.678 231 HB3 ASP 30 HB1 ASP 30 14.657 -0.441 12.195 232 H GLN 31 HN GLN 31 11.279 0.935 11.875 233 HA GLN 31 HA GLN 31 10.463 -1.704 12.607 234 HB2 GLN 31 HB2 GLN 31 9.225 0.994 12.998 235 HB3 GLN 31 HB1 GLN 31 8.370 -0.467 13.460 236 HG2 GLN 31 HG2 GLN 31 10.187 -1.066 14.968 237 HG3 GLN 31 HG1 GLN 31 11.079 0.366 14.470 238 HE21 GLN 31 HE21 GLN 31 10.518 2.321 15.285 239 HE22 GLN 31 HE22 GLN 31 9.356 2.530 16.545 240 H ALA 32 HN ALA 32 9.612 0.508 10.074 241 HA ALA 32 HA ALA 32 7.311 -0.842 9.141 242 HB1 ALA 32 HB1 ALA 32 7.892 1.450 8.457 243 HB2 ALA 32 HB2 ALA 32 7.712 0.405 7.044 244 HB3 ALA 32 HB3 ALA 32 9.320 0.839 7.625 245 H ILE 33 HN ILE 33 10.724 -1.030 8.379 246 HA ILE 33 HA ILE 33 10.594 -3.102 6.462 247 HB ILE 33 HB ILE 33 12.868 -2.305 8.312 248 HG12 ILE 33 HG12 ILE 33 12.434 -1.537 5.427 249 HG13 ILE 33 HG11 ILE 33 11.902 -0.542 6.776 250 HG21 ILE 33 HG21 ILE 33 12.936 -3.916 5.747 251 HG22 ILE 33 HG22 ILE 33 13.212 -4.548 7.368 252 HG23 ILE 33 HG23 ILE 33 14.343 -3.391 6.672 253 HD11 ILE 33 HD11 ILE 33 14.736 -1.353 6.210 254 HD12 ILE 33 HD12 ILE 33 14.154 -0.364 7.556 255 HD13 ILE 33 HD13 ILE 33 14.008 0.234 5.895 256 H ALA 34 HN ALA 34 11.036 -3.048 9.948 257 HA ALA 34 HA ALA 34 11.402 -5.772 10.389 258 HB1 ALA 34 HB1 ALA 34 11.749 -4.071 12.115 259 HB2 ALA 34 HB2 ALA 34 10.753 -5.407 12.677 260 HB3 ALA 34 HB3 ALA 34 9.997 -3.863 12.254 261 H LEU 35 HN LEU 35 8.427 -4.002 9.888 262 HA LEU 35 HA LEU 35 6.699 -6.198 10.409 263 HB2 LEU 35 HB2 LEU 35 6.342 -3.690 8.859 264 HB3 LEU 35 HB1 LEU 35 5.079 -4.893 9.055 265 HG LEU 35 HG LEU 35 6.392 -3.319 11.274 266 HD11 LEU 35 HD11 LEU 35 3.726 -3.457 10.080 267 HD12 LEU 35 HD12 LEU 35 4.887 -2.111 9.897 268 HD13 LEU 35 HD13 LEU 35 4.126 -2.452 11.487 269 HD21 LEU 35 HD21 LEU 35 4.717 -4.362 12.708 270 HD22 LEU 35 HD22 LEU 35 5.811 -5.582 12.061 271 HD23 LEU 35 HD23 LEU 35 4.188 -5.371 11.370 272 H LEU 36 HN LEU 36 8.082 -4.777 7.517 273 HA LEU 36 HA LEU 36 6.860 -6.557 5.693 274 HB2 LEU 36 HB2 LEU 36 9.160 -4.691 5.446 275 HB3 LEU 36 HB1 LEU 36 8.542 -5.595 4.092 276 HG LEU 36 HG LEU 36 7.121 -3.469 5.694 277 HD11 LEU 36 HD11 LEU 36 8.716 -2.625 4.110 278 HD12 LEU 36 HD12 LEU 36 7.070 -2.277 3.576 279 HD13 LEU 36 HD13 LEU 36 7.983 -3.585 2.825 280 HD21 LEU 36 HD21 LEU 36 5.477 -5.175 5.121 281 HD22 LEU 36 HD22 LEU 36 6.022 -5.169 3.447 282 HD23 LEU 36 HD23 LEU 36 5.238 -3.744 4.122 283 H LYS 37 HN LYS 37 9.693 -6.888 7.587 284 HA LYS 37 HA LYS 37 10.726 -8.977 5.901 285 HB2 LYS 37 HB2 LYS 37 12.483 -9.277 7.570 286 HB3 LYS 37 HB1 LYS 37 12.269 -7.566 7.249 287 HG2 LYS 37 HG2 LYS 37 10.882 -7.433 9.316 288 HG3 LYS 37 HG1 LYS 37 11.352 -9.093 9.658 289 HD2 LYS 37 HD2 LYS 37 13.261 -6.765 9.327 290 HD3 LYS 37 HD1 LYS 37 12.788 -7.493 10.862 291 HE2 LYS 37 HE2 LYS 37 13.768 -9.610 10.153 292 HE3 LYS 37 HE1 LYS 37 14.231 -8.872 8.617 293 HZ1 LYS 37 HZ1 LYS 37 16.059 -8.978 10.146 294 HZ2 LYS 37 HZ2 LYS 37 15.219 -8.044 11.292 295 HZ3 LYS 37 HZ3 LYS 37 15.680 -7.371 9.813 296 H ASP 38 HN ASP 38 8.179 -8.803 7.846 297 HA ASP 38 HA ASP 38 8.283 -11.659 8.539 298 HB2 ASP 38 HB2 ASP 38 7.973 -10.237 10.505 299 HB3 ASP 38 HB1 ASP 38 6.569 -9.484 9.754 300 H LYS 39 HN LYS 39 6.303 -9.075 7.228 301 HA LYS 39 HA LYS 39 4.140 -10.811 6.592 302 HB2 LYS 39 HB2 LYS 39 4.620 -7.998 5.616 303 HB3 LYS 39 HB1 LYS 39 3.097 -8.880 5.560 304 HG2 LYS 39 HG2 LYS 39 3.198 -9.030 8.059 305 HG3 LYS 39 HG1 LYS 39 4.578 -7.943 8.002 306 HD2 LYS 39 HD2 LYS 39 2.670 -6.611 8.472 307 HD3 LYS 39 HD1 LYS 39 3.097 -6.310 6.789 308 HE2 LYS 39 HE2 LYS 39 1.349 -7.742 6.009 309 HE3 LYS 39 HE1 LYS 39 1.019 -8.313 7.644 310 HZ1 LYS 39 HZ1 LYS 39 0.554 -5.554 6.628 311 HZ2 LYS 39 HZ2 LYS 39 0.374 -6.053 8.217 312 HZ3 LYS 39 HZ3 LYS 39 -0.612 -6.713 7.034 313 H ASP 40 HN ASP 40 3.215 -10.882 4.411 314 HA ASP 40 HA ASP 40 4.974 -12.381 2.770 315 HB2 ASP 40 HB2 ASP 40 2.600 -12.914 3.122 316 HB3 ASP 40 HB1 ASP 40 2.146 -11.442 2.281 317 HA PRO 41 HA PRO 41 6.403 -9.174 -0.052 318 HB2 PRO 41 HB2 PRO 41 6.662 -10.863 -2.259 319 HB3 PRO 41 HB1 PRO 41 7.916 -10.542 -1.061 320 HG2 PRO 41 HG2 PRO 41 6.064 -12.854 -1.294 321 HG3 PRO 41 HG1 PRO 41 7.741 -12.807 -0.729 322 HD2 PRO 41 HD2 PRO 41 5.660 -13.036 0.953 323 HD3 PRO 41 HD1 PRO 41 7.137 -12.154 1.398 324 H GLY 42 HN GLY 42 5.022 -7.817 -0.787 325 HA2 GLY 42 HA2 GLY 42 3.528 -7.377 -2.747 326 HA3 GLY 42 HA1 GLY 42 2.563 -8.715 -2.112 327 H ALA 43 HN ALA 43 3.427 -7.948 0.637 328 HA ALA 43 HA ALA 43 1.300 -6.123 1.191 329 HB1 ALA 43 HB1 ALA 43 1.924 -6.443 3.536 330 HB2 ALA 43 HB2 ALA 43 3.374 -7.312 3.039 331 HB3 ALA 43 HB3 ALA 43 1.779 -7.993 2.705 332 H PHE 44 HN PHE 44 1.640 -4.194 2.508 333 HA PHE 44 HA PHE 44 4.158 -2.823 2.144 334 HB2 PHE 44 HB2 PHE 44 3.148 -1.037 0.866 335 HB3 PHE 44 HB1 PHE 44 2.881 -2.548 0.006 336 HD1 PHE 44 HD1 PHE 44 0.577 -3.697 0.355 337 HD2 PHE 44 HD2 PHE 44 1.342 0.368 1.344 338 HE1 PHE 44 HE1 PHE 44 -1.823 -3.238 0.309 339 HE2 PHE 44 HE2 PHE 44 -1.064 0.834 1.300 340 HZ PHE 44 HZ PHE 44 -2.652 -0.969 0.789 341 H LEU 45 HN LEU 45 3.805 -0.573 3.057 342 HA LEU 45 HA LEU 45 1.433 -0.087 4.512 343 HB2 LEU 45 HB2 LEU 45 2.355 0.261 6.700 344 HB3 LEU 45 HB1 LEU 45 2.747 -1.363 6.213 345 HG LEU 45 HG LEU 45 4.719 0.919 6.091 346 HD11 LEU 45 HD11 LEU 45 4.260 -1.157 8.218 347 HD12 LEU 45 HD12 LEU 45 3.926 0.565 8.373 348 HD13 LEU 45 HD13 LEU 45 5.590 0.001 8.182 349 HD21 LEU 45 HD21 LEU 45 5.238 -1.028 4.679 350 HD22 LEU 45 HD22 LEU 45 5.079 -2.080 6.088 351 HD23 LEU 45 HD23 LEU 45 6.367 -0.881 6.025 352 H ILE 46 HN ILE 46 1.355 2.094 5.240 353 HA ILE 46 HA ILE 46 3.265 3.830 3.868 354 HB ILE 46 HB ILE 46 0.242 4.195 4.005 355 HG12 ILE 46 HG12 ILE 46 2.058 3.748 1.630 356 HG13 ILE 46 HG11 ILE 46 0.953 2.556 2.307 357 HG21 ILE 46 HG21 ILE 46 0.596 6.221 2.673 358 HG22 ILE 46 HG22 ILE 46 2.340 5.980 2.785 359 HG23 ILE 46 HG23 ILE 46 1.405 6.318 4.239 360 HD11 ILE 46 HD11 ILE 46 0.177 5.159 0.990 361 HD12 ILE 46 HD12 ILE 46 -0.940 3.976 1.664 362 HD13 ILE 46 HD13 ILE 46 0.055 3.553 0.275 363 H ARG 47 HN ARG 47 4.032 5.368 5.142 364 HA ARG 47 HA ARG 47 2.683 5.929 7.706 365 HB2 ARG 47 HB2 ARG 47 4.840 5.901 8.817 366 HB3 ARG 47 HB1 ARG 47 4.561 4.347 8.052 367 HG2 ARG 47 HG2 ARG 47 6.049 4.940 6.236 368 HG3 ARG 47 HG1 ARG 47 6.272 6.549 6.922 369 HD2 ARG 47 HD2 ARG 47 7.149 5.449 8.985 370 HD3 ARG 47 HD1 ARG 47 7.110 3.920 8.108 371 HE ARG 47 HE ARG 47 8.687 4.806 6.575 372 HH11 ARG 47 HH11 ARG 47 8.364 6.563 9.649 373 HH12 ARG 47 HH12 ARG 47 9.848 7.391 9.487 374 HH21 ARG 47 HH21 ARG 47 10.728 5.958 6.370 375 HH22 ARG 47 HH22 ARG 47 11.205 7.051 7.590 376 H ASP 48 HN ASP 48 3.650 8.074 8.619 377 HA ASP 48 HA ASP 48 3.941 9.966 6.503 378 HB2 ASP 48 HB2 ASP 48 4.356 10.212 9.497 379 HB3 ASP 48 HB1 ASP 48 4.581 11.554 8.385 380 H SER 49 HN SER 49 5.795 10.673 5.566 381 HA SER 49 HA SER 49 8.118 9.111 5.885 382 HB2 SER 49 HB2 SER 49 7.850 11.785 4.518 383 HB3 SER 49 HB1 SER 49 9.113 10.580 4.249 384 HG SER 49 HG SER 49 7.741 9.360 3.154 385 H HIS 50 HN HIS 50 7.123 12.179 7.208 386 HA HIS 50 HA HIS 50 7.922 13.556 8.785 387 HB2 HIS 50 HB2 HIS 50 9.741 11.241 9.363 388 HB3 HIS 50 HB1 HIS 50 9.934 12.758 10.222 389 HD1 HIS 50 HD1 HIS 50 8.433 13.046 12.271 390 HD2 HIS 50 HD2 HIS 50 7.159 9.994 9.756 391 HE1 HIS 50 HE1 HIS 50 6.565 11.865 13.486 392 H SER 51 HN SER 51 10.468 12.228 6.777 393 HA SER 51 HA SER 51 12.351 14.222 6.968 394 HB2 SER 51 HB2 SER 51 11.596 12.636 4.517 395 HB3 SER 51 HB1 SER 51 13.183 13.323 4.897 396 HG SER 51 HG SER 51 13.303 11.942 6.683 397 H PHE 52 HN PHE 52 9.465 14.049 4.891 398 HA PHE 52 HA PHE 52 9.854 16.878 4.239 399 HB2 PHE 52 HB2 PHE 52 8.681 14.733 2.445 400 HB3 PHE 52 HB1 PHE 52 8.733 16.449 2.067 401 HD1 PHE 52 HD1 PHE 52 10.937 17.545 1.685 402 HD2 PHE 52 HD2 PHE 52 10.536 13.328 2.082 403 HE1 PHE 52 HE1 PHE 52 13.139 17.242 0.644 404 HE2 PHE 52 HE2 PHE 52 12.734 13.013 1.048 405 HZ PHE 52 HZ PHE 52 14.047 14.976 0.321 406 H GLN 53 HN GLN 53 7.906 18.102 4.123 407 HA GLN 53 HA GLN 53 5.779 16.993 5.744 408 HB2 GLN 53 HB2 GLN 53 4.780 19.274 5.632 409 HB3 GLN 53 HB1 GLN 53 6.404 19.271 6.295 410 HG2 GLN 53 HG2 GLN 53 7.299 20.152 4.259 411 HG3 GLN 53 HG1 GLN 53 5.755 19.957 3.436 412 HE21 GLN 53 HE21 GLN 53 7.558 21.840 5.753 413 HE22 GLN 53 HE22 GLN 53 6.473 23.183 5.766 414 H GLY 54 HN GLY 54 3.778 16.443 5.067 415 HA2 GLY 54 HA2 GLY 54 2.080 15.949 3.584 416 HA3 GLY 54 HA1 GLY 54 2.813 17.081 2.456 417 H ALA 55 HN ALA 55 4.326 14.279 3.930 418 HA ALA 55 HA ALA 55 4.371 12.952 1.332 419 HB1 ALA 55 HB1 ALA 55 6.791 13.359 3.090 420 HB2 ALA 55 HB2 ALA 55 6.489 14.157 1.547 421 HB3 ALA 55 HB3 ALA 55 6.742 12.410 1.603 422 H TYR 56 HN TYR 56 4.033 10.864 1.442 423 HA TYR 56 HA TYR 56 3.946 9.558 4.085 424 HB2 TYR 56 HB2 TYR 56 2.353 8.801 1.627 425 HB3 TYR 56 HB1 TYR 56 2.168 8.183 3.254 426 HD1 TYR 56 HD1 TYR 56 1.399 9.868 5.063 427 HD2 TYR 56 HD2 TYR 56 1.043 10.555 0.882 428 HE1 TYR 56 HE1 TYR 56 -0.362 11.526 5.485 429 HE2 TYR 56 HE2 TYR 56 -0.704 12.221 1.296 430 HH TYR 56 HH TYR 56 -1.330 13.513 4.339 431 H GLY 57 HN GLY 57 5.273 7.828 4.232 432 HA2 GLY 57 HA2 GLY 57 6.782 7.141 1.836 433 HA3 GLY 57 HA1 GLY 57 7.265 6.727 3.466 434 H LEU 58 HN LEU 58 6.074 5.563 0.637 435 HA LEU 58 HA LEU 58 4.502 3.424 1.769 436 HB2 LEU 58 HB2 LEU 58 3.605 4.515 -0.215 437 HB3 LEU 58 HB1 LEU 58 5.118 4.346 -1.052 438 HG LEU 58 HG LEU 58 3.191 2.911 -1.851 439 HD11 LEU 58 HD11 LEU 58 5.708 1.461 -1.087 440 HD12 LEU 58 HD12 LEU 58 5.424 2.397 -2.560 441 HD13 LEU 58 HD13 LEU 58 4.519 0.915 -2.272 442 HD21 LEU 58 HD21 LEU 58 2.779 0.811 -0.656 443 HD22 LEU 58 HD22 LEU 58 2.262 2.230 0.246 444 HD23 LEU 58 HD23 LEU 58 3.763 1.403 0.688 445 H ALA 59 HN ALA 59 5.491 1.715 2.417 446 HA ALA 59 HA ALA 59 8.058 0.979 1.214 447 HB1 ALA 59 HB1 ALA 59 8.173 1.449 3.631 448 HB2 ALA 59 HB2 ALA 59 8.506 -0.242 3.289 449 HB3 ALA 59 HB3 ALA 59 6.927 0.233 3.923 450 H LEU 60 HN LEU 60 7.881 -0.592 -0.162 451 HA LEU 60 HA LEU 60 5.639 -2.487 0.039 452 HB2 LEU 60 HB2 LEU 60 5.583 -1.145 -1.964 453 HB3 LEU 60 HB1 LEU 60 7.258 -1.514 -2.307 454 HG LEU 60 HG LEU 60 6.609 -3.891 -2.670 455 HD11 LEU 60 HD11 LEU 60 4.591 -3.979 -1.355 456 HD12 LEU 60 HD12 LEU 60 4.255 -4.433 -3.028 457 HD13 LEU 60 HD13 LEU 60 3.813 -2.827 -2.443 458 HD21 LEU 60 HD21 LEU 60 6.896 -2.360 -4.535 459 HD22 LEU 60 HD22 LEU 60 5.209 -1.855 -4.403 460 HD23 LEU 60 HD23 LEU 60 5.603 -3.510 -4.869 461 H LYS 61 HN LYS 61 6.189 -4.509 0.592 462 HA LYS 61 HA LYS 61 8.977 -5.332 0.391 463 HB2 LYS 61 HB2 LYS 61 7.773 -5.843 2.453 464 HB3 LYS 61 HB1 LYS 61 6.545 -6.698 1.553 465 HG2 LYS 61 HG2 LYS 61 8.096 -8.253 2.667 466 HG3 LYS 61 HG1 LYS 61 8.159 -8.423 0.908 467 HD2 LYS 61 HD2 LYS 61 10.197 -7.007 0.917 468 HD3 LYS 61 HD1 LYS 61 10.123 -6.973 2.682 469 HE2 LYS 61 HE2 LYS 61 10.401 -9.439 0.966 470 HE3 LYS 61 HE1 LYS 61 11.700 -8.665 1.864 471 HZ1 LYS 61 HZ1 LYS 61 10.439 -9.161 3.929 472 HZ2 LYS 61 HZ2 LYS 61 10.879 -10.526 3.080 473 HZ3 LYS 61 HZ3 LYS 61 9.307 -10.006 3.022 474 H VAL 62 HN VAL 62 9.562 -6.175 -1.512 475 HA VAL 62 HA VAL 62 7.511 -7.636 -3.013 476 HB VAL 62 HB VAL 62 8.847 -7.330 -5.000 477 HG11 VAL 62 HG11 VAL 62 7.376 -5.498 -4.460 478 HG12 VAL 62 HG12 VAL 62 8.848 -4.898 -5.228 479 HG13 VAL 62 HG13 VAL 62 8.638 -4.742 -3.484 480 HG21 VAL 62 HG21 VAL 62 10.945 -6.058 -5.013 481 HG22 VAL 62 HG22 VAL 62 11.074 -7.528 -4.045 482 HG23 VAL 62 HG23 VAL 62 10.891 -5.963 -3.253 483 H ALA 63 HN ALA 63 8.481 -9.511 -4.304 484 HA ALA 63 HA ALA 63 9.630 -11.349 -2.474 485 HB1 ALA 63 HB1 ALA 63 8.190 -12.103 -4.322 486 HB2 ALA 63 HB2 ALA 63 9.782 -12.863 -4.416 487 HB3 ALA 63 HB3 ALA 63 9.382 -11.522 -5.485 488 H THR 64 HN THR 64 10.845 -9.973 -5.479 489 HA THR 64 HA THR 64 13.331 -9.248 -4.368 490 HB THR 64 HB THR 64 14.493 -10.564 -6.366 491 HG1 THR 64 HG1 THR 64 13.661 -12.655 -6.559 492 HG21 THR 64 HG21 THR 64 13.862 -11.922 -3.744 493 HG22 THR 64 HG22 THR 64 15.178 -10.783 -4.024 494 HG23 THR 64 HG23 THR 64 15.193 -12.353 -4.821 495 HA PRO 65 HA PRO 65 12.395 -6.326 -7.639 496 HB2 PRO 65 HB2 PRO 65 15.155 -5.361 -7.020 497 HB3 PRO 65 HB1 PRO 65 13.641 -4.442 -7.071 498 HG2 PRO 65 HG2 PRO 65 14.794 -5.038 -4.748 499 HG3 PRO 65 HG1 PRO 65 13.032 -5.104 -4.926 500 HD2 PRO 65 HD2 PRO 65 15.030 -7.339 -4.940 501 HD3 PRO 65 HD1 PRO 65 13.436 -7.253 -4.121 502 HA PRO 66 HA PRO 66 16.221 -7.837 -10.379 503 HB2 PRO 66 HB2 PRO 66 17.870 -9.676 -9.254 504 HB3 PRO 66 HB1 PRO 66 18.139 -7.960 -8.943 505 HG2 PRO 66 HG2 PRO 66 16.602 -9.862 -7.264 506 HG3 PRO 66 HG1 PRO 66 17.955 -8.805 -6.800 507 HD2 PRO 66 HD2 PRO 66 15.523 -8.192 -6.402 508 HD3 PRO 66 HD1 PRO 66 16.656 -6.920 -6.976 509 HA PRO 67 HA PRO 67 13.881 -11.591 -11.409 510 HB2 PRO 67 HB2 PRO 67 16.186 -12.279 -13.138 511 HB3 PRO 67 HB1 PRO 67 14.480 -12.097 -13.565 512 HG2 PRO 67 HG2 PRO 67 16.244 -10.248 -14.277 513 HG3 PRO 67 HG1 PRO 67 14.633 -9.782 -13.704 514 HD2 PRO 67 HD2 PRO 67 17.242 -9.736 -12.237 515 HD3 PRO 67 HD1 PRO 67 15.925 -8.539 -12.249 516 H SER 68 HN SER 68 17.410 -12.062 -11.093 517 HA SER 68 HA SER 68 16.849 -14.555 -9.662 518 HB2 SER 68 HB2 SER 68 19.180 -15.206 -10.568 519 HB3 SER 68 HB1 SER 68 17.790 -15.266 -11.657 520 HG SER 68 HG SER 68 18.907 -14.044 -12.849 521 H ALA 69 HN ALA 69 18.113 -11.535 -9.393 522 HA ALA 69 HA ALA 69 19.089 -10.372 -7.771 523 HB1 ALA 69 HB1 ALA 69 17.530 -11.533 -6.345 524 HB2 ALA 69 HB2 ALA 69 19.001 -11.056 -5.521 525 HB3 ALA 69 HB3 ALA 69 18.752 -12.769 -5.962 526 H GLN 70 HN GLN 70 20.610 -11.665 -9.568 527 HA GLN 70 HA GLN 70 23.040 -12.539 -8.447 528 HB2 GLN 70 HB2 GLN 70 22.607 -11.086 -11.074 529 HB3 GLN 70 HB1 GLN 70 24.063 -11.962 -10.625 530 HG2 GLN 70 HG2 GLN 70 22.845 -14.046 -10.572 531 HG3 GLN 70 HG1 GLN 70 21.333 -13.200 -10.890 532 HE21 GLN 70 HE21 GLN 70 20.930 -14.323 -12.730 533 HE22 GLN 70 HE22 GLN 70 21.781 -14.102 -14.201 534 HA PRO 71 HA PRO 71 24.365 -7.772 -8.410 535 HB2 PRO 71 HB2 PRO 71 22.192 -6.086 -8.110 536 HB3 PRO 71 HB1 PRO 71 23.060 -6.321 -9.628 537 HG2 PRO 71 HG2 PRO 71 20.518 -7.569 -8.680 538 HG3 PRO 71 HG1 PRO 71 20.943 -6.979 -10.300 539 HD2 PRO 71 HD2 PRO 71 20.963 -9.581 -9.739 540 HD3 PRO 71 HD1 PRO 71 22.196 -8.860 -10.792 541 H TRP 72 HN TRP 72 25.055 -7.940 -6.395 542 HA TRP 72 HA TRP 72 23.115 -7.971 -4.197 543 HB2 TRP 72 HB2 TRP 72 24.367 -10.047 -4.323 544 HB3 TRP 72 HB1 TRP 72 25.885 -9.167 -4.389 545 HD1 TRP 72 HD1 TRP 72 26.885 -8.272 -2.134 546 HE1 TRP 72 HE1 TRP 72 26.371 -8.750 0.312 547 HE3 TRP 72 HE3 TRP 72 22.343 -10.545 -2.718 548 HZ2 TRP 72 HZ2 TRP 72 24.286 -9.941 1.832 549 HZ3 TRP 72 HZ3 TRP 72 21.149 -11.316 -0.708 550 HH2 TRP 72 HH2 TRP 72 22.102 -11.019 1.518 551 H LYS 73 HN LYS 73 23.492 -6.635 -2.447 552 HA LYS 73 HA LYS 73 25.725 -4.758 -2.687 553 HB2 LYS 73 HB2 LYS 73 23.701 -3.601 -3.450 554 HB3 LYS 73 HB1 LYS 73 22.880 -4.017 -1.959 555 HG2 LYS 73 HG2 LYS 73 24.173 -2.488 -0.698 556 HG3 LYS 73 HG1 LYS 73 25.355 -2.303 -1.995 557 HD2 LYS 73 HD2 LYS 73 23.977 -0.342 -1.958 558 HD3 LYS 73 HD1 LYS 73 23.591 -1.295 -3.390 559 HE2 LYS 73 HE2 LYS 73 21.506 -0.566 -2.555 560 HE3 LYS 73 HE1 LYS 73 21.638 -2.240 -2.049 561 HZ1 LYS 73 HZ1 LYS 73 22.203 0.121 -0.326 562 HZ2 LYS 73 HZ2 LYS 73 22.212 -1.496 0.209 563 HZ3 LYS 73 HZ3 LYS 73 20.802 -0.772 -0.300 564 H GLY 74 HN GLY 74 23.701 -6.609 -0.555 565 HA2 GLY 74 HA2 GLY 74 25.158 -7.389 1.350 566 HA3 GLY 74 HA1 GLY 74 25.312 -5.671 1.711 567 H ASP 75 HN ASP 75 22.814 -4.860 1.107 568 HA ASP 75 HA ASP 75 21.354 -5.356 3.457 569 HB2 ASP 75 HB2 ASP 75 20.432 -4.178 0.845 570 HB3 ASP 75 HB1 ASP 75 19.655 -3.979 2.406 571 HA PRO 76 HA PRO 76 19.314 -8.980 1.683 572 HB2 PRO 76 HB2 PRO 76 18.110 -9.476 4.271 573 HB3 PRO 76 HB1 PRO 76 19.368 -10.402 3.455 574 HG2 PRO 76 HG2 PRO 76 19.793 -8.910 5.723 575 HG3 PRO 76 HG1 PRO 76 21.053 -9.310 4.551 576 HD2 PRO 76 HD2 PRO 76 19.519 -6.752 4.874 577 HD3 PRO 76 HD1 PRO 76 21.230 -7.022 4.470 578 H VAL 77 HN VAL 77 17.248 -7.816 4.268 579 HA VAL 77 HA VAL 77 15.014 -7.989 2.491 580 HB VAL 77 HB VAL 77 14.529 -8.716 4.735 581 HG11 VAL 77 HG11 VAL 77 14.650 -7.239 6.687 582 HG12 VAL 77 HG12 VAL 77 15.400 -5.996 5.677 583 HG13 VAL 77 HG13 VAL 77 16.216 -7.539 5.946 584 HG21 VAL 77 HG21 VAL 77 12.696 -7.521 3.613 585 HG22 VAL 77 HG22 VAL 77 13.250 -6.027 4.387 586 HG23 VAL 77 HG23 VAL 77 12.623 -7.348 5.370 587 H GLU 78 HN GLU 78 17.017 -5.440 3.625 588 HA GLU 78 HA GLU 78 15.224 -3.382 3.009 589 HB2 GLU 78 HB2 GLU 78 18.221 -3.320 3.340 590 HB3 GLU 78 HB1 GLU 78 17.229 -1.884 3.148 591 HG2 GLU 78 HG2 GLU 78 17.594 -2.071 5.463 592 HG3 GLU 78 HG1 GLU 78 15.978 -2.672 5.198 593 H GLN 79 HN GLN 79 17.212 -5.284 0.981 594 HA GLN 79 HA GLN 79 17.019 -3.520 -1.293 595 HB2 GLN 79 HB2 GLN 79 17.914 -6.337 -0.866 596 HB3 GLN 79 HB1 GLN 79 17.444 -5.858 -2.488 597 HG2 GLN 79 HG2 GLN 79 19.505 -4.396 -0.867 598 HG3 GLN 79 HG1 GLN 79 19.893 -5.720 -1.969 599 HE21 GLN 79 HE21 GLN 79 19.652 -5.391 -4.179 600 HE22 GLN 79 HE22 GLN 79 19.504 -3.831 -4.882 601 H LEU 80 HN LEU 80 15.231 -6.125 0.117 602 HA LEU 80 HA LEU 80 13.470 -6.561 -2.102 603 HB2 LEU 80 HB2 LEU 80 13.143 -7.419 0.761 604 HB3 LEU 80 HB1 LEU 80 12.332 -8.103 -0.634 605 HG LEU 80 HG LEU 80 15.266 -8.322 0.041 606 HD11 LEU 80 HD11 LEU 80 14.800 -10.702 0.259 607 HD12 LEU 80 HD12 LEU 80 13.091 -10.395 -0.046 608 HD13 LEU 80 HD13 LEU 80 13.858 -9.742 1.401 609 HD21 LEU 80 HD21 LEU 80 14.972 -8.146 -2.383 610 HD22 LEU 80 HD22 LEU 80 13.771 -9.438 -2.327 611 HD23 LEU 80 HD23 LEU 80 15.450 -9.775 -1.913 612 H VAL 81 HN VAL 81 13.495 -4.567 0.700 613 HA VAL 81 HA VAL 81 10.725 -3.791 0.345 614 HB VAL 81 HB VAL 81 12.822 -2.746 2.288 615 HG11 VAL 81 HG11 VAL 81 9.860 -2.169 2.138 616 HG12 VAL 81 HG12 VAL 81 11.158 -1.029 1.782 617 HG13 VAL 81 HG13 VAL 81 10.942 -1.636 3.423 618 HG21 VAL 81 HG21 VAL 81 12.144 -5.044 2.755 619 HG22 VAL 81 HG22 VAL 81 10.448 -4.558 2.732 620 HG23 VAL 81 HG23 VAL 81 11.520 -3.952 3.990 621 H ARG 82 HN ARG 82 10.224 -2.393 -1.092 622 HA ARG 82 HA ARG 82 12.234 -0.498 -2.078 623 HB2 ARG 82 HB2 ARG 82 9.568 -1.256 -3.235 624 HB3 ARG 82 HB1 ARG 82 10.731 -0.186 -3.972 625 HG2 ARG 82 HG2 ARG 82 11.288 -3.105 -3.431 626 HG3 ARG 82 HG1 ARG 82 10.684 -2.489 -4.964 627 HD2 ARG 82 HD2 ARG 82 13.030 -2.745 -5.197 628 HD3 ARG 82 HD1 ARG 82 12.704 -1.022 -5.065 629 HE ARG 82 HE ARG 82 13.606 -2.587 -2.737 630 HH11 ARG 82 HH11 ARG 82 14.111 0.171 -4.938 631 HH12 ARG 82 HH12 ARG 82 15.427 0.792 -4.075 632 HH21 ARG 82 HH21 ARG 82 15.426 -1.697 -1.537 633 HH22 ARG 82 HH22 ARG 82 16.187 -0.285 -2.105 634 H HIS 83 HN HIS 83 11.975 1.555 -1.688 635 HA HIS 83 HA HIS 83 9.561 2.405 -0.250 636 HB2 HIS 83 HB2 HIS 83 12.385 3.451 -0.073 637 HB3 HIS 83 HB1 HIS 83 11.001 4.282 0.611 638 HD1 HIS 83 HD1 HIS 83 13.474 1.671 1.394 639 HD2 HIS 83 HD2 HIS 83 9.689 2.804 2.672 640 HE1 HIS 83 HE1 HIS 83 13.138 0.604 3.649 641 H PHE 84 HN PHE 84 8.305 3.771 -1.151 642 HA PHE 84 HA PHE 84 9.337 5.711 -3.086 643 HB2 PHE 84 HB2 PHE 84 6.748 4.135 -3.314 644 HB3 PHE 84 HB1 PHE 84 7.214 5.463 -4.363 645 HD1 PHE 84 HD1 PHE 84 9.028 5.181 -5.986 646 HD2 PHE 84 HD2 PHE 84 7.654 1.945 -3.591 647 HE1 PHE 84 HE1 PHE 84 10.133 3.598 -7.496 648 HE2 PHE 84 HE2 PHE 84 8.763 0.356 -5.092 649 HZ PHE 84 HZ PHE 84 10.002 1.180 -7.056 650 H LEU 85 HN LEU 85 8.788 7.728 -2.346 651 HA LEU 85 HA LEU 85 6.757 7.686 -0.291 652 HB2 LEU 85 HB2 LEU 85 7.619 9.789 0.560 653 HB3 LEU 85 HB1 LEU 85 8.884 8.593 0.456 654 HG LEU 85 HG LEU 85 9.137 9.994 -1.918 655 HD11 LEU 85 HD11 LEU 85 8.540 11.883 0.333 656 HD12 LEU 85 HD12 LEU 85 7.533 11.653 -1.099 657 HD13 LEU 85 HD13 LEU 85 9.157 12.349 -1.255 658 HD21 LEU 85 HD21 LEU 85 10.943 9.201 -0.471 659 HD22 LEU 85 HD22 LEU 85 10.543 10.440 0.719 660 HD23 LEU 85 HD23 LEU 85 11.152 10.907 -0.870 661 H ILE 86 HN ILE 86 4.984 8.684 -0.344 662 HA ILE 86 HA ILE 86 4.038 9.663 -2.904 663 HB ILE 86 HB ILE 86 2.592 8.944 -0.346 664 HG12 ILE 86 HG12 ILE 86 2.780 7.415 -2.951 665 HG13 ILE 86 HG11 ILE 86 3.692 7.035 -1.499 666 HG21 ILE 86 HG21 ILE 86 0.534 9.025 -1.710 667 HG22 ILE 86 HG22 ILE 86 1.478 9.639 -3.073 668 HG23 ILE 86 HG23 ILE 86 1.334 10.593 -1.595 669 HD11 ILE 86 HD11 ILE 86 1.779 5.564 -1.768 670 HD12 ILE 86 HD12 ILE 86 0.697 6.959 -1.774 671 HD13 ILE 86 HD13 ILE 86 1.613 6.558 -0.321 672 H GLU 87 HN GLU 87 3.849 11.712 -3.200 673 HA GLU 87 HA GLU 87 4.022 13.569 -0.942 674 HB2 GLU 87 HB2 GLU 87 4.207 14.064 -3.905 675 HB3 GLU 87 HB1 GLU 87 4.537 15.222 -2.626 676 HG2 GLU 87 HG2 GLU 87 6.430 13.828 -1.941 677 HG3 GLU 87 HG1 GLU 87 6.098 12.758 -3.309 678 H THR 88 HN THR 88 2.358 15.065 -0.678 679 HA THR 88 HA THR 88 0.171 14.833 -2.564 680 HB THR 88 HB THR 88 -0.474 13.598 -0.596 681 HG1 THR 88 HG1 THR 88 -2.002 15.822 -0.006 682 HG21 THR 88 HG21 THR 88 0.975 14.512 1.030 683 HG22 THR 88 HG22 THR 88 -0.687 14.621 1.614 684 HG23 THR 88 HG23 THR 88 0.139 16.073 1.005 685 H GLY 89 HN GLY 89 -0.902 16.697 -3.011 686 HA2 GLY 89 HA2 GLY 89 0.071 19.181 -1.853 687 HA3 GLY 89 HA1 GLY 89 0.416 18.925 -3.563 688 HA PRO 90 HA PRO 90 -3.710 20.998 -3.186 689 HB2 PRO 90 HB2 PRO 90 -3.425 22.726 -5.214 690 HB3 PRO 90 HB1 PRO 90 -2.715 23.034 -3.621 691 HG2 PRO 90 HG2 PRO 90 -1.421 21.969 -6.104 692 HG3 PRO 90 HG1 PRO 90 -0.820 23.189 -4.966 693 HD2 PRO 90 HD2 PRO 90 -0.004 20.601 -4.922 694 HD3 PRO 90 HD1 PRO 90 -0.085 21.605 -3.463 695 H LYS 91 HN LYS 91 -2.441 18.935 -5.281 696 HA LYS 91 HA LYS 91 -4.809 18.938 -7.023 697 HB2 LYS 91 HB2 LYS 91 -2.001 18.036 -7.554 698 HB3 LYS 91 HB1 LYS 91 -3.335 17.410 -8.504 699 HG2 LYS 91 HG2 LYS 91 -2.706 20.341 -8.226 700 HG3 LYS 91 HG1 LYS 91 -2.122 19.318 -9.544 701 HD2 LYS 91 HD2 LYS 91 -4.444 18.779 -10.135 702 HD3 LYS 91 HD1 LYS 91 -5.017 19.846 -8.853 703 HE2 LYS 91 HE2 LYS 91 -3.983 21.743 -9.961 704 HE3 LYS 91 HE1 LYS 91 -3.351 20.684 -11.221 705 HZ1 LYS 91 HZ1 LYS 91 -6.231 21.194 -10.659 706 HZ2 LYS 91 HZ2 LYS 91 -5.659 20.109 -11.782 707 HZ3 LYS 91 HZ3 LYS 91 -5.368 21.737 -12.002 708 H GLY 92 HN GLY 92 -2.661 16.870 -5.131 709 HA2 GLY 92 HA2 GLY 92 -4.430 15.265 -4.000 710 HA3 GLY 92 HA1 GLY 92 -4.249 14.551 -5.606 711 H VAL 93 HN VAL 93 -3.268 12.733 -4.709 712 HA VAL 93 HA VAL 93 -0.631 13.212 -3.535 713 HB VAL 93 HB VAL 93 -0.732 11.010 -2.550 714 HG11 VAL 93 HG11 VAL 93 -3.421 12.295 -2.192 715 HG12 VAL 93 HG12 VAL 93 -1.958 12.710 -1.315 716 HG13 VAL 93 HG13 VAL 93 -2.688 11.118 -1.105 717 HG21 VAL 93 HG21 VAL 93 -1.767 9.796 -4.408 718 HG22 VAL 93 HG22 VAL 93 -3.311 10.573 -4.051 719 HG23 VAL 93 HG23 VAL 93 -2.604 9.451 -2.893 720 H LYS 94 HN LYS 94 1.148 12.096 -4.308 721 HA LYS 94 HA LYS 94 0.938 10.773 -6.895 722 HB2 LYS 94 HB2 LYS 94 2.604 12.305 -7.865 723 HB3 LYS 94 HB1 LYS 94 1.119 13.138 -7.432 724 HG2 LYS 94 HG2 LYS 94 2.500 13.593 -5.184 725 HG3 LYS 94 HG1 LYS 94 3.857 13.427 -6.304 726 HD2 LYS 94 HD2 LYS 94 2.801 15.107 -7.772 727 HD3 LYS 94 HD1 LYS 94 1.493 15.221 -6.577 728 HE2 LYS 94 HE2 LYS 94 2.912 17.088 -6.273 729 HE3 LYS 94 HE1 LYS 94 3.136 15.998 -4.916 730 HZ1 LYS 94 HZ1 LYS 94 5.298 15.291 -5.874 731 HZ2 LYS 94 HZ2 LYS 94 5.209 16.976 -5.812 732 HZ3 LYS 94 HZ3 LYS 94 4.956 16.213 -7.255 733 H ILE 95 HN ILE 95 2.636 9.361 -7.216 734 HA ILE 95 HA ILE 95 4.262 8.827 -4.876 735 HB ILE 95 HB ILE 95 4.059 7.358 -7.527 736 HG12 ILE 95 HG12 ILE 95 2.890 6.657 -4.823 737 HG13 ILE 95 HG11 ILE 95 1.977 7.269 -6.196 738 HG21 ILE 95 HG21 ILE 95 5.252 5.511 -6.404 739 HG22 ILE 95 HG22 ILE 95 5.438 6.526 -4.972 740 HG23 ILE 95 HG23 ILE 95 6.234 6.980 -6.478 741 HD11 ILE 95 HD11 ILE 95 3.441 4.638 -6.050 742 HD12 ILE 95 HD12 ILE 95 2.532 5.228 -7.443 743 HD13 ILE 95 HD13 ILE 95 1.698 4.873 -5.930 744 H LYS 96 HN LYS 96 6.378 9.420 -4.708 745 HA LYS 96 HA LYS 96 7.553 11.066 -6.667 746 HB2 LYS 96 HB2 LYS 96 8.158 11.274 -4.306 747 HB3 LYS 96 HB1 LYS 96 8.772 9.632 -4.297 748 HG2 LYS 96 HG2 LYS 96 10.640 11.124 -4.389 749 HG3 LYS 96 HG1 LYS 96 10.492 10.333 -5.956 750 HD2 LYS 96 HD2 LYS 96 10.906 12.595 -6.452 751 HD3 LYS 96 HD1 LYS 96 9.160 12.397 -6.665 752 HE2 LYS 96 HE2 LYS 96 8.792 13.296 -4.426 753 HE3 LYS 96 HE1 LYS 96 10.530 13.528 -4.241 754 HZ1 LYS 96 HZ1 LYS 96 8.755 14.884 -6.204 755 HZ2 LYS 96 HZ2 LYS 96 10.445 14.999 -6.182 756 HZ3 LYS 96 HZ3 LYS 96 9.564 15.574 -4.888 757 H GLY 97 HN GLY 97 7.874 10.188 -8.615 758 HA2 GLY 97 HA2 GLY 97 9.478 9.143 -10.012 759 HA3 GLY 97 HA1 GLY 97 9.720 7.925 -8.766 760 H CYS 98 HN CYS 98 6.720 9.179 -10.195 761 HA CYS 98 HA CYS 98 6.213 6.450 -11.100 762 HB2 CYS 98 HB2 CYS 98 3.800 6.941 -10.873 763 HB3 CYS 98 HB1 CYS 98 4.669 6.967 -9.352 764 HG CYS 98 HG CYS 98 4.617 9.647 -8.981 765 HA PRO 99 HA PRO 99 6.538 8.325 -15.037 766 HB2 PRO 99 HB2 PRO 99 5.780 6.210 -16.557 767 HB3 PRO 99 HB1 PRO 99 7.371 6.362 -15.804 768 HG2 PRO 99 HG2 PRO 99 5.003 4.781 -14.939 769 HG3 PRO 99 HG1 PRO 99 6.721 4.353 -14.857 770 HD2 PRO 99 HD2 PRO 99 5.277 5.225 -12.718 771 HD3 PRO 99 HD1 PRO 99 7.027 5.464 -12.881 772 H SER 100 HN SER 100 3.462 6.551 -14.429 773 HA SER 100 HA SER 100 2.254 8.429 -16.361 774 HB2 SER 100 HB2 SER 100 1.491 5.552 -15.889 775 HB3 SER 100 HB1 SER 100 0.737 6.651 -17.043 776 HG SER 100 HG SER 100 3.131 6.859 -17.723 777 H GLU 101 HN GLU 101 2.140 7.139 -13.223 778 HA GLU 101 HA GLU 101 -0.516 7.359 -12.629 779 HB2 GLU 101 HB2 GLU 101 1.853 7.699 -10.795 780 HB3 GLU 101 HB1 GLU 101 0.195 7.473 -10.273 781 HG2 GLU 101 HG2 GLU 101 1.034 5.334 -10.075 782 HG3 GLU 101 HG1 GLU 101 0.293 5.290 -11.666 783 HA PRO 102 HA PRO 102 -1.020 11.784 -12.482 784 HB2 PRO 102 HB2 PRO 102 -3.669 11.779 -12.291 785 HB3 PRO 102 HB1 PRO 102 -2.895 11.216 -13.778 786 HG2 PRO 102 HG2 PRO 102 -4.079 9.645 -11.532 787 HG3 PRO 102 HG1 PRO 102 -4.193 9.360 -13.277 788 HD2 PRO 102 HD2 PRO 102 -2.428 8.077 -11.572 789 HD3 PRO 102 HD1 PRO 102 -2.234 8.232 -13.332 790 H TYR 103 HN TYR 103 -2.827 13.053 -10.968 791 HA TYR 103 HA TYR 103 -1.888 12.574 -8.297 792 HB2 TYR 103 HB2 TYR 103 -3.844 14.638 -9.342 793 HB3 TYR 103 HB1 TYR 103 -3.163 14.605 -7.725 794 HD1 TYR 103 HD1 TYR 103 -0.620 14.936 -7.489 795 HD2 TYR 103 HD2 TYR 103 -2.741 15.760 -11.096 796 HE1 TYR 103 HE1 TYR 103 1.211 16.361 -8.256 797 HE2 TYR 103 HE2 TYR 103 -0.885 17.178 -11.850 798 HH TYR 103 HH TYR 103 0.977 18.512 -10.724 799 H PHE 104 HN PHE 104 -2.835 11.022 -7.225 800 HA PHE 104 HA PHE 104 -5.573 10.267 -7.757 801 HB2 PHE 104 HB2 PHE 104 -3.634 9.228 -5.664 802 HB3 PHE 104 HB1 PHE 104 -5.223 8.552 -5.989 803 HD1 PHE 104 HD1 PHE 104 -5.632 7.462 -8.225 804 HD2 PHE 104 HD2 PHE 104 -1.751 8.605 -6.906 805 HE1 PHE 104 HE1 PHE 104 -4.614 5.928 -9.875 806 HE2 PHE 104 HE2 PHE 104 -0.743 7.076 -8.554 807 HZ PHE 104 HZ PHE 104 -2.175 5.745 -10.032 808 H GLY 105 HN GLY 105 -7.250 10.466 -6.264 809 HA2 GLY 105 HA2 GLY 105 -7.078 12.883 -4.704 810 HA3 GLY 105 HA1 GLY 105 -8.508 11.883 -4.915 811 H SER 106 HN SER 106 -6.832 9.516 -4.068 812 HA SER 106 HA SER 106 -6.536 10.075 -1.237 813 HB2 SER 106 HB2 SER 106 -7.882 8.008 -0.771 814 HB3 SER 106 HB1 SER 106 -8.837 9.364 -1.359 815 HG SER 106 HG SER 106 -9.224 8.344 -3.148 816 H LEU 107 HN LEU 107 -5.407 8.344 -0.171 817 HA LEU 107 HA LEU 107 -3.427 7.047 -1.737 818 HB2 LEU 107 HB2 LEU 107 -4.313 6.565 1.114 819 HB3 LEU 107 HB1 LEU 107 -2.854 5.912 0.393 820 HG LEU 107 HG LEU 107 -3.410 8.839 0.912 821 HD11 LEU 107 HD11 LEU 107 -1.573 6.899 2.306 822 HD12 LEU 107 HD12 LEU 107 -3.055 7.594 2.966 823 HD13 LEU 107 HD13 LEU 107 -1.672 8.633 2.616 824 HD21 LEU 107 HD21 LEU 107 -1.980 8.521 -1.040 825 HD22 LEU 107 HD22 LEU 107 -0.932 7.454 -0.108 826 HD23 LEU 107 HD23 LEU 107 -1.054 9.162 0.316 827 H SER 108 HN SER 108 -6.574 6.306 -0.435 828 HA SER 108 HA SER 108 -6.680 3.559 -0.479 829 HB2 SER 108 HB2 SER 108 -8.950 5.355 -1.269 830 HB3 SER 108 HB1 SER 108 -8.963 3.900 -0.260 831 HG SER 108 HG SER 108 -8.389 5.008 1.418 832 H ALA 109 HN ALA 109 -7.249 5.936 -3.059 833 HA ALA 109 HA ALA 109 -8.197 4.218 -5.039 834 HB1 ALA 109 HB1 ALA 109 -6.627 6.770 -5.380 835 HB2 ALA 109 HB2 ALA 109 -8.370 6.662 -5.157 836 HB3 ALA 109 HB3 ALA 109 -7.624 5.997 -6.611 837 H LEU 110 HN LEU 110 -4.888 5.373 -4.411 838 HA LEU 110 HA LEU 110 -3.823 3.857 -6.552 839 HB2 LEU 110 HB2 LEU 110 -1.582 4.474 -5.700 840 HB3 LEU 110 HB1 LEU 110 -2.633 5.840 -5.943 841 HG LEU 110 HG LEU 110 -3.023 5.735 -3.390 842 HD11 LEU 110 HD11 LEU 110 -1.187 4.833 -2.067 843 HD12 LEU 110 HD12 LEU 110 -0.477 4.123 -3.520 844 HD13 LEU 110 HD13 LEU 110 -2.050 3.568 -2.936 845 HD21 LEU 110 HD21 LEU 110 -0.337 6.526 -4.487 846 HD22 LEU 110 HD22 LEU 110 -1.054 7.078 -2.968 847 HD23 LEU 110 HD23 LEU 110 -1.809 7.502 -4.504 848 H VAL 111 HN VAL 111 -4.393 3.173 -3.233 849 HA VAL 111 HA VAL 111 -2.792 0.884 -3.029 850 HB VAL 111 HB VAL 111 -5.284 1.728 -1.517 851 HG11 VAL 111 HG11 VAL 111 -5.263 -0.688 -1.459 852 HG12 VAL 111 HG12 VAL 111 -4.746 -0.070 0.115 853 HG13 VAL 111 HG13 VAL 111 -3.557 -0.696 -1.032 854 HG21 VAL 111 HG21 VAL 111 -3.693 2.086 0.312 855 HG22 VAL 111 HG22 VAL 111 -3.274 3.038 -1.114 856 HG23 VAL 111 HG23 VAL 111 -2.375 1.569 -0.739 857 H SER 112 HN SER 112 -6.180 1.283 -3.869 858 HA SER 112 HA SER 112 -6.642 -1.478 -4.291 859 HB2 SER 112 HB2 SER 112 -8.379 0.176 -3.621 860 HB3 SER 112 HB1 SER 112 -8.262 0.904 -5.220 861 HG SER 112 HG SER 112 -8.795 -1.818 -4.838 862 H GLN 113 HN GLN 113 -5.802 1.225 -6.420 863 HA GLN 113 HA GLN 113 -6.401 -0.207 -8.800 864 HB2 GLN 113 HB2 GLN 113 -6.515 2.257 -8.613 865 HB3 GLN 113 HB1 GLN 113 -4.765 2.301 -8.490 866 HG2 GLN 113 HG2 GLN 113 -4.550 1.413 -10.724 867 HG3 GLN 113 HG1 GLN 113 -6.298 1.234 -10.848 868 HE21 GLN 113 HE21 GLN 113 -4.478 2.787 -12.506 869 HE22 GLN 113 HE22 GLN 113 -5.041 4.407 -12.406 870 H HIS 114 HN HIS 114 -3.415 0.293 -6.976 871 HA HIS 114 HA HIS 114 -1.835 -0.758 -9.116 872 HB2 HIS 114 HB2 HIS 114 -1.076 -0.027 -6.299 873 HB3 HIS 114 HB1 HIS 114 0.053 -0.763 -7.435 874 HD1 HIS 114 HD1 HIS 114 -1.014 2.443 -6.293 875 HD2 HIS 114 HD2 HIS 114 0.197 0.904 -9.936 876 HE1 HIS 114 HE1 HIS 114 -0.225 4.421 -7.687 877 H SER 115 HN SER 115 -3.824 -2.324 -7.045 878 HA SER 115 HA SER 115 -2.331 -4.744 -6.788 879 HB2 SER 115 HB2 SER 115 -5.337 -4.350 -6.919 880 HB3 SER 115 HB1 SER 115 -4.490 -5.755 -6.278 881 HG SER 115 HG SER 115 -3.489 -4.106 -4.814 882 H ILE 116 HN ILE 116 -4.523 -3.279 -9.067 883 HA ILE 116 HA ILE 116 -4.663 -5.593 -10.791 884 HB ILE 116 HB ILE 116 -5.856 -2.822 -11.111 885 HG12 ILE 116 HG12 ILE 116 -7.157 -5.363 -10.093 886 HG13 ILE 116 HG11 ILE 116 -6.602 -4.047 -9.063 887 HG21 ILE 116 HG21 ILE 116 -6.490 -5.429 -12.516 888 HG22 ILE 116 HG22 ILE 116 -5.690 -4.030 -13.234 889 HG23 ILE 116 HG23 ILE 116 -7.372 -3.916 -12.720 890 HD11 ILE 116 HD11 ILE 116 -9.012 -3.973 -9.422 891 HD12 ILE 116 HD12 ILE 116 -8.746 -3.851 -11.166 892 HD13 ILE 116 HD13 ILE 116 -8.216 -2.553 -10.097 893 H SER 117 HN SER 117 -3.407 -2.258 -10.882 894 HA SER 117 HA SER 117 -1.615 -3.145 -12.999 895 HB2 SER 117 HB2 SER 117 -3.221 -0.580 -13.060 896 HB3 SER 117 HB1 SER 117 -2.004 -1.062 -14.246 897 HG SER 117 HG SER 117 -3.604 -3.085 -13.982 898 HA PRO 118 HA PRO 118 0.963 -0.878 -10.012 899 HB2 PRO 118 HB2 PRO 118 2.966 -2.891 -10.384 900 HB3 PRO 118 HB1 PRO 118 1.951 -2.650 -8.964 901 HG2 PRO 118 HG2 PRO 118 1.782 -4.865 -10.598 902 HG3 PRO 118 HG1 PRO 118 0.453 -4.255 -9.601 903 HD2 PRO 118 HD2 PRO 118 0.955 -3.822 -12.517 904 HD3 PRO 118 HD1 PRO 118 -0.562 -4.204 -11.661 905 H ILE 119 HN ILE 119 1.696 0.850 -11.227 906 HA ILE 119 HA ILE 119 3.140 0.273 -13.665 907 HB ILE 119 HB ILE 119 2.433 3.017 -12.559 908 HG12 ILE 119 HG12 ILE 119 0.888 1.356 -14.577 909 HG13 ILE 119 HG11 ILE 119 0.425 1.532 -12.893 910 HG21 ILE 119 HG21 ILE 119 2.722 3.722 -14.895 911 HG22 ILE 119 HG22 ILE 119 3.101 2.066 -15.360 912 HG23 ILE 119 HG23 ILE 119 4.194 2.951 -14.293 913 HD11 ILE 119 HD11 ILE 119 0.110 3.933 -13.226 914 HD12 ILE 119 HD12 ILE 119 -0.885 2.995 -14.333 915 HD13 ILE 119 HD13 ILE 119 0.594 3.765 -14.915 916 H SER 120 HN SER 120 3.850 2.804 -11.175 917 HA SER 120 HA SER 120 6.614 2.597 -11.523 918 HB2 SER 120 HB2 SER 120 5.456 4.574 -10.541 919 HB3 SER 120 HB1 SER 120 5.103 3.621 -9.103 920 HG SER 120 HG SER 120 7.298 5.015 -9.667 921 H LEU 121 HN LEU 121 4.391 0.940 -9.443 922 HA LEU 121 HA LEU 121 6.364 -0.111 -7.692 923 HB2 LEU 121 HB2 LEU 121 3.533 -1.048 -8.153 924 HB3 LEU 121 HB1 LEU 121 4.567 -1.560 -6.839 925 HG LEU 121 HG LEU 121 3.491 1.228 -7.274 926 HD11 LEU 121 HD11 LEU 121 2.264 0.812 -5.209 927 HD12 LEU 121 HD12 LEU 121 2.884 -0.842 -5.187 928 HD13 LEU 121 HD13 LEU 121 1.820 -0.315 -6.488 929 HD21 LEU 121 HD21 LEU 121 5.258 0.168 -5.064 930 HD22 LEU 121 HD22 LEU 121 4.494 1.751 -5.088 931 HD23 LEU 121 HD23 LEU 121 5.717 1.348 -6.292 932 HA PRO 122 HA PRO 122 7.978 -3.169 -10.457 933 HB2 PRO 122 HB2 PRO 122 9.400 -4.579 -8.579 934 HB3 PRO 122 HB1 PRO 122 9.952 -3.065 -9.307 935 HG2 PRO 122 HG2 PRO 122 8.615 -3.528 -6.676 936 HG3 PRO 122 HG1 PRO 122 9.979 -2.460 -7.069 937 HD2 PRO 122 HD2 PRO 122 7.487 -1.537 -6.739 938 HD3 PRO 122 HD1 PRO 122 8.596 -0.823 -7.929 939 H CYS 123 HN CYS 123 6.012 -3.923 -7.720 940 HA CYS 123 HA CYS 123 5.272 -6.461 -8.942 941 HB2 CYS 123 HB2 CYS 123 5.919 -6.070 -6.005 942 HB3 CYS 123 HB1 CYS 123 5.220 -7.529 -6.693 943 HG CYS 123 HG CYS 123 7.371 -8.423 -7.943 944 H CYS 124 HN CYS 124 3.153 -7.243 -7.789 945 HA CYS 124 HA CYS 124 1.331 -5.058 -8.020 946 HB2 CYS 124 HB2 CYS 124 0.836 -7.942 -7.259 947 HB3 CYS 124 HB1 CYS 124 -0.413 -6.757 -7.604 948 HG CYS 124 HG CYS 124 1.900 -7.252 -10.021 949 H LEU 125 HN LEU 125 0.227 -4.015 -6.494 950 HA LEU 125 HA LEU 125 1.229 -4.149 -3.793 951 HB2 LEU 125 HB2 LEU 125 0.671 -2.053 -5.115 952 HB3 LEU 125 HB1 LEU 125 -1.012 -2.483 -4.928 953 HG LEU 125 HG LEU 125 -0.698 -2.335 -2.450 954 HD11 LEU 125 HD11 LEU 125 1.960 -1.175 -3.267 955 HD12 LEU 125 HD12 LEU 125 1.693 -2.673 -2.365 956 HD13 LEU 125 HD13 LEU 125 1.265 -1.127 -1.649 957 HD21 LEU 125 HD21 LEU 125 -1.655 -0.535 -3.794 958 HD22 LEU 125 HD22 LEU 125 -0.040 0.159 -4.007 959 HD23 LEU 125 HD23 LEU 125 -0.765 0.072 -2.398 960 H ARG 126 HN ARG 126 0.304 -5.526 -2.288 961 HA ARG 126 HA ARG 126 -2.489 -6.305 -2.732 962 HB2 ARG 126 HB2 ARG 126 -0.220 -8.009 -1.708 963 HB3 ARG 126 HB1 ARG 126 -1.900 -8.505 -1.761 964 HG2 ARG 126 HG2 ARG 126 -0.167 -7.841 -4.131 965 HG3 ARG 126 HG1 ARG 126 -0.626 -9.457 -3.596 966 HD2 ARG 126 HD2 ARG 126 -2.990 -8.906 -4.016 967 HD3 ARG 126 HD1 ARG 126 -2.505 -7.303 -4.573 968 HE ARG 126 HE ARG 126 -1.087 -9.269 -5.952 969 HH11 ARG 126 HH11 ARG 126 -4.381 -7.933 -5.821 970 HH12 ARG 126 HH12 ARG 126 -4.726 -8.330 -7.445 971 HH21 ARG 126 HH21 ARG 126 -1.614 -9.780 -8.190 972 HH22 ARG 126 HH22 ARG 126 -3.163 -9.371 -8.783 973 H ILE 127 HN ILE 127 -3.768 -6.401 -1.011 974 HA ILE 127 HA ILE 127 -2.683 -5.379 1.503 975 HB ILE 127 HB ILE 127 -5.634 -5.673 0.801 976 HG12 ILE 127 HG12 ILE 127 -5.619 -3.106 0.697 977 HG13 ILE 127 HG11 ILE 127 -3.872 -3.207 0.578 978 HG21 ILE 127 HG21 ILE 127 -5.112 -5.701 3.171 979 HG22 ILE 127 HG22 ILE 127 -6.003 -4.230 2.753 980 HG23 ILE 127 HG23 ILE 127 -4.259 -4.169 3.018 981 HD11 ILE 127 HD11 ILE 127 -4.095 -4.435 -1.530 982 HD12 ILE 127 HD12 ILE 127 -4.904 -2.867 -1.602 983 HD13 ILE 127 HD13 ILE 127 -5.851 -4.339 -1.399 984 HA PRO 128 HA PRO 128 -3.146 -9.742 2.552 985 HB2 PRO 128 HB2 PRO 128 -1.811 -9.622 4.901 986 HB3 PRO 128 HB1 PRO 128 -1.002 -9.673 3.323 987 HG2 PRO 128 HG2 PRO 128 -1.516 -7.340 5.118 988 HG3 PRO 128 HG1 PRO 128 -0.067 -7.726 4.178 989 HD2 PRO 128 HD2 PRO 128 -1.937 -5.911 3.401 990 HD3 PRO 128 HD1 PRO 128 -0.936 -6.828 2.256 991 H SER 129 HN SER 129 -3.887 -7.035 4.475 992 HA SER 129 HA SER 129 -5.207 -8.337 6.649 993 HB2 SER 129 HB2 SER 129 -5.347 -5.484 5.775 994 HB3 SER 129 HB1 SER 129 -5.611 -6.142 7.395 995 HG SER 129 HG SER 129 -3.398 -6.972 7.182 996 H LYS 130 HN LYS 130 -6.266 -7.462 3.457 997 HA LYS 130 HA LYS 130 -8.988 -8.062 4.192 998 HB2 LYS 130 HB2 LYS 130 -8.684 -5.556 4.504 999 HB3 LYS 130 HB1 LYS 130 -8.286 -5.458 2.811 1000 HG2 LYS 130 HG2 LYS 130 -10.954 -6.500 3.772 1001 HG3 LYS 130 HG1 LYS 130 -10.655 -4.795 3.455 1002 HD2 LYS 130 HD2 LYS 130 -10.157 -5.287 1.133 1003 HD3 LYS 130 HD1 LYS 130 -10.301 -7.015 1.439 1004 HE2 LYS 130 HE2 LYS 130 -12.675 -6.665 2.034 1005 HE3 LYS 130 HE1 LYS 130 -12.498 -4.961 1.618 1006 HZ1 LYS 130 HZ1 LYS 130 -11.919 -5.594 -0.623 1007 HZ2 LYS 130 HZ2 LYS 130 -13.423 -6.243 -0.232 1008 HZ3 LYS 130 HZ3 LYS 130 -12.046 -7.228 -0.247 1009 H ASP 131 HN ASP 131 -9.725 -9.339 2.673 1010 HA ASP 131 HA ASP 131 -8.794 -8.906 -0.058 1011 HB2 ASP 131 HB2 ASP 131 -7.795 -10.985 0.766 1012 HB3 ASP 131 HB1 ASP 131 -9.388 -11.572 1.248 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -18.891 -11.101 -15.856 2 H2 MET 1 HT2 MET 1 -18.723 -10.972 -17.513 3 H3 MET 1 HT3 MET 1 -19.368 -9.667 -16.601 4 HA MET 1 HA MET 1 -16.620 -10.712 -16.382 5 HB2 MET 1 HB2 MET 1 -17.666 -8.095 -17.518 6 HB3 MET 1 HB1 MET 1 -15.976 -8.470 -17.244 7 HG2 MET 1 HG2 MET 1 -16.015 -10.158 -18.934 8 HG3 MET 1 HG1 MET 1 -17.757 -9.992 -19.123 9 HE1 MET 1 HE1 MET 1 -17.474 -9.720 -21.745 10 HE2 MET 1 HE2 MET 1 -15.723 -9.890 -21.584 11 HE3 MET 1 HE3 MET 1 -16.400 -8.540 -22.498 12 H HIS 2 HN HIS 2 -15.323 -9.206 -15.049 13 HA HIS 2 HA HIS 2 -16.916 -8.349 -12.766 14 HB2 HIS 2 HB2 HIS 2 -13.937 -8.869 -13.036 15 HB3 HIS 2 HB1 HIS 2 -14.691 -8.249 -11.577 16 HD1 HIS 2 HD1 HIS 2 -15.221 -10.055 -9.878 17 HD2 HIS 2 HD2 HIS 2 -15.136 -11.520 -13.777 18 HE1 HIS 2 HE1 HIS 2 -15.566 -12.537 -9.710 19 H HIS 3 HN HIS 3 -17.427 -6.300 -12.651 20 HA HIS 3 HA HIS 3 -15.546 -4.261 -13.609 21 HB2 HIS 3 HB2 HIS 3 -18.536 -4.373 -14.105 22 HB3 HIS 3 HB1 HIS 3 -17.591 -2.906 -14.278 23 HD1 HIS 3 HD1 HIS 3 -18.740 -5.826 -16.172 24 HD2 HIS 3 HD2 HIS 3 -15.590 -3.115 -16.372 25 HE1 HIS 3 HE1 HIS 3 -17.812 -5.994 -18.494 26 H HIS 4 HN HIS 4 -15.895 -2.195 -12.558 27 HA HIS 4 HA HIS 4 -16.338 -0.775 -10.878 28 HB2 HIS 4 HB2 HIS 4 -18.506 -2.699 -9.990 29 HB3 HIS 4 HB1 HIS 4 -18.314 -1.041 -9.450 30 HD1 HIS 4 HD1 HIS 4 -20.120 -3.053 -11.851 31 HD2 HIS 4 HD2 HIS 4 -18.693 0.847 -11.692 32 HE1 HIS 4 HE1 HIS 4 -21.362 -1.803 -13.616 33 H HIS 5 HN HIS 5 -16.436 -0.659 -8.417 34 HA HIS 5 HA HIS 5 -15.185 -2.921 -7.103 35 HB2 HIS 5 HB2 HIS 5 -13.324 -1.435 -7.884 36 HB3 HIS 5 HB1 HIS 5 -14.061 -0.094 -7.023 37 HD1 HIS 5 HD1 HIS 5 -12.117 -3.310 -6.393 38 HD2 HIS 5 HD2 HIS 5 -13.537 0.006 -4.306 39 HE1 HIS 5 HE1 HIS 5 -11.004 -3.366 -4.155 40 H HIS 6 HN HIS 6 -16.807 -3.291 -5.789 41 HA HIS 6 HA HIS 6 -17.779 -1.098 -4.083 42 HB2 HIS 6 HB2 HIS 6 -19.410 -3.370 -5.247 43 HB3 HIS 6 HB1 HIS 6 -19.996 -2.268 -4.016 44 HD1 HIS 6 HD1 HIS 6 -20.479 0.221 -4.829 45 HD2 HIS 6 HD2 HIS 6 -19.486 -2.481 -7.817 46 HE1 HIS 6 HE1 HIS 6 -21.064 1.339 -7.012 47 H HIS 7 HN HIS 7 -17.798 -4.609 -4.459 48 HA HIS 7 HA HIS 7 -17.369 -6.303 -3.155 49 HB2 HIS 7 HB2 HIS 7 -15.948 -4.275 -1.433 50 HB3 HIS 7 HB1 HIS 7 -16.065 -5.966 -0.970 51 HD1 HIS 7 HD1 HIS 7 -13.964 -7.176 -1.565 52 HD2 HIS 7 HD2 HIS 7 -14.858 -4.182 -4.301 53 HE1 HIS 7 HE1 HIS 7 -12.137 -7.234 -3.259 54 H SER 8 HN SER 8 -18.607 -7.486 -1.980 55 HA SER 8 HA SER 8 -20.736 -6.215 -0.515 56 HB2 SER 8 HB2 SER 8 -20.096 -9.156 -0.857 57 HB3 SER 8 HB1 SER 8 -21.632 -8.469 -0.317 58 HG SER 8 HG SER 8 -20.823 -7.369 -2.614 59 H SER 9 HN SER 9 -20.232 -5.470 1.428 60 HA SER 9 HA SER 9 -18.020 -5.904 2.928 61 HB2 SER 9 HB2 SER 9 -20.756 -5.103 3.894 62 HB3 SER 9 HB1 SER 9 -19.204 -4.680 4.624 63 HG SER 9 HG SER 9 -18.682 -3.488 2.868 64 H GLY 10 HN GLY 10 -17.488 -8.050 3.306 65 HA2 GLY 10 HA2 GLY 10 -19.292 -9.527 5.100 66 HA3 GLY 10 HA1 GLY 10 -18.256 -10.297 3.902 67 H LEU 11 HN LEU 11 -18.426 -8.732 6.936 68 HA LEU 11 HA LEU 11 -16.404 -10.126 8.165 69 HB2 LEU 11 HB2 LEU 11 -14.846 -8.744 6.772 70 HB3 LEU 11 HB1 LEU 11 -15.562 -7.290 7.418 71 HG LEU 11 HG LEU 11 -14.716 -7.900 9.669 72 HD11 LEU 11 HD11 LEU 11 -14.631 -10.314 9.423 73 HD12 LEU 11 HD12 LEU 11 -13.056 -9.676 9.887 74 HD13 LEU 11 HD13 LEU 11 -13.352 -10.162 8.217 75 HD21 LEU 11 HD21 LEU 11 -12.352 -7.440 9.193 76 HD22 LEU 11 HD22 LEU 11 -13.422 -6.412 8.247 77 HD23 LEU 11 HD23 LEU 11 -12.631 -7.793 7.490 78 H VAL 12 HN VAL 12 -16.936 -6.653 8.414 79 HA VAL 12 HA VAL 12 -19.062 -6.956 10.289 80 HB VAL 12 HB VAL 12 -17.991 -5.305 11.911 81 HG11 VAL 12 HG11 VAL 12 -16.584 -7.963 11.715 82 HG12 VAL 12 HG12 VAL 12 -18.106 -7.638 12.548 83 HG13 VAL 12 HG13 VAL 12 -16.609 -6.918 13.135 84 HG21 VAL 12 HG21 VAL 12 -15.535 -5.121 11.947 85 HG22 VAL 12 HG22 VAL 12 -16.268 -4.431 10.501 86 HG23 VAL 12 HG23 VAL 12 -15.471 -5.998 10.413 87 HA PRO 13 HA PRO 13 -20.741 -3.629 7.966 88 HB2 PRO 13 HB2 PRO 13 -21.205 -2.313 10.607 89 HB3 PRO 13 HB1 PRO 13 -22.323 -2.554 9.261 90 HG2 PRO 13 HG2 PRO 13 -22.433 -4.105 11.415 91 HG3 PRO 13 HG1 PRO 13 -22.698 -4.774 9.792 92 HD2 PRO 13 HD2 PRO 13 -20.367 -5.059 11.608 93 HD3 PRO 13 HD1 PRO 13 -20.995 -6.172 10.380 94 H ARG 14 HN ARG 14 -18.841 -2.467 10.752 95 HA ARG 14 HA ARG 14 -18.084 -0.130 9.171 96 HB2 ARG 14 HB2 ARG 14 -17.779 -0.685 12.122 97 HB3 ARG 14 HB1 ARG 14 -17.318 0.814 11.326 98 HG2 ARG 14 HG2 ARG 14 -19.607 1.229 10.679 99 HG3 ARG 14 HG1 ARG 14 -20.105 -0.315 11.355 100 HD2 ARG 14 HD2 ARG 14 -19.409 0.457 13.574 101 HD3 ARG 14 HD1 ARG 14 -18.977 2.025 12.882 102 HE ARG 14 HE ARG 14 -21.412 1.991 12.120 103 HH11 ARG 14 HH11 ARG 14 -20.219 0.820 15.251 104 HH12 ARG 14 HH12 ARG 14 -21.704 0.992 16.047 105 HH21 ARG 14 HH21 ARG 14 -23.477 2.218 13.232 106 HH22 ARG 14 HH22 ARG 14 -23.610 1.809 14.869 107 H GLY 15 HN GLY 15 -16.962 -2.932 8.996 108 HA2 GLY 15 HA2 GLY 15 -14.146 -2.105 9.100 109 HA3 GLY 15 HA1 GLY 15 -14.622 -3.707 9.637 110 H SER 16 HN SER 16 -15.873 -1.857 6.955 111 HA SER 16 HA SER 16 -15.161 -4.060 5.166 112 HB2 SER 16 HB2 SER 16 -17.559 -3.387 5.332 113 HB3 SER 16 HB1 SER 16 -17.120 -1.767 4.814 114 HG SER 16 HG SER 16 -16.183 -2.946 2.913 115 H ASP 17 HN ASP 17 -13.340 -2.066 6.176 116 HA ASP 17 HA ASP 17 -12.451 -0.907 3.666 117 HB2 ASP 17 HB2 ASP 17 -13.451 0.942 4.782 118 HB3 ASP 17 HB1 ASP 17 -12.689 0.523 6.315 119 H THR 18 HN THR 18 -10.345 -1.132 3.368 120 HA THR 18 HA THR 18 -8.900 -2.547 5.462 121 HB THR 18 HB THR 18 -7.445 -3.373 3.572 122 HG1 THR 18 HG1 THR 18 -9.114 -1.682 2.138 123 HG21 THR 18 HG21 THR 18 -9.203 -4.774 4.526 124 HG22 THR 18 HG22 THR 18 -9.123 -5.024 2.781 125 HG23 THR 18 HG23 THR 18 -10.393 -4.013 3.476 126 H SER 19 HN SER 19 -9.134 0.476 4.568 127 HA SER 19 HA SER 19 -6.507 1.234 3.824 128 HB2 SER 19 HB2 SER 19 -8.661 2.973 5.037 129 HB3 SER 19 HB1 SER 19 -7.298 3.502 4.051 130 HG SER 19 HG SER 19 -9.702 2.344 3.339 131 H LYS 20 HN LYS 20 -7.996 0.629 6.885 132 HA LYS 20 HA LYS 20 -6.073 2.208 8.344 133 HB2 LYS 20 HB2 LYS 20 -7.147 1.599 10.377 134 HB3 LYS 20 HB1 LYS 20 -8.416 1.863 9.200 135 HG2 LYS 20 HG2 LYS 20 -7.385 -0.856 10.014 136 HG3 LYS 20 HG1 LYS 20 -8.786 -0.072 10.738 137 HD2 LYS 20 HD2 LYS 20 -9.905 -0.098 8.557 138 HD3 LYS 20 HD1 LYS 20 -8.482 -0.849 7.838 139 HE2 LYS 20 HE2 LYS 20 -10.225 -2.505 8.323 140 HE3 LYS 20 HE1 LYS 20 -8.761 -2.811 9.247 141 HZ1 LYS 20 HZ1 LYS 20 -11.194 -1.466 10.301 142 HZ2 LYS 20 HZ2 LYS 20 -9.827 -1.846 11.192 143 HZ3 LYS 20 HZ3 LYS 20 -10.781 -3.070 10.559 144 H PHE 21 HN PHE 21 -5.870 -0.814 6.944 145 HA PHE 21 HA PHE 21 -4.302 -2.094 8.999 146 HB2 PHE 21 HB2 PHE 21 -4.766 -2.837 6.110 147 HB3 PHE 21 HB1 PHE 21 -3.706 -3.748 7.171 148 HD1 PHE 21 HD2 PHE 21 -4.784 -4.577 9.382 149 HD2 PHE 21 HD1 PHE 21 -6.980 -3.420 5.935 150 HE1 PHE 21 HE2 PHE 21 -6.683 -5.909 10.157 151 HE2 PHE 21 HE1 PHE 21 -8.898 -4.759 6.704 152 HZ PHE 21 HZ PHE 21 -8.750 -6.010 8.817 153 H TRP 22 HN TRP 22 -3.600 -0.600 5.905 154 HA TRP 22 HA TRP 22 -0.789 -1.047 6.286 155 HB2 TRP 22 HB2 TRP 22 -0.619 0.090 4.012 156 HB3 TRP 22 HB1 TRP 22 -1.451 -1.452 4.082 157 HD1 TRP 22 HD1 TRP 22 -3.846 -1.532 3.097 158 HE1 TRP 22 HE1 TRP 22 -5.464 0.196 2.102 159 HE3 TRP 22 HE3 TRP 22 -1.355 2.751 4.340 160 HZ2 TRP 22 HZ2 TRP 22 -5.663 3.006 1.867 161 HZ3 TRP 22 HZ3 TRP 22 -2.333 4.913 3.693 162 HH2 TRP 22 HH2 TRP 22 -4.437 5.034 2.494 163 H TYR 23 HN TYR 23 -2.919 1.375 7.174 164 HA TYR 23 HA TYR 23 -0.857 3.370 6.823 165 HB2 TYR 23 HB2 TYR 23 -3.176 3.935 6.092 166 HB3 TYR 23 HB1 TYR 23 -3.674 3.861 7.780 167 HD1 TYR 23 HD2 TYR 23 -1.081 5.490 5.653 168 HD2 TYR 23 HD1 TYR 23 -3.680 5.840 8.988 169 HE1 TYR 23 HE2 TYR 23 -0.351 7.818 5.964 170 HE2 TYR 23 HE1 TYR 23 -2.966 8.174 9.299 171 HH TYR 23 HH TYR 23 -0.955 9.585 8.730 172 H LYS 24 HN LYS 24 0.563 3.274 8.263 173 HA LYS 24 HA LYS 24 -0.245 3.960 10.896 174 HB2 LYS 24 HB2 LYS 24 1.499 2.425 12.000 175 HB3 LYS 24 HB1 LYS 24 0.008 1.687 11.476 176 HG2 LYS 24 HG2 LYS 24 2.501 1.561 9.805 177 HG3 LYS 24 HG1 LYS 24 2.215 0.423 11.116 178 HD2 LYS 24 HD2 LYS 24 0.020 -0.135 10.015 179 HD3 LYS 24 HD1 LYS 24 0.540 0.851 8.643 180 HE2 LYS 24 HE2 LYS 24 1.013 -1.458 8.155 181 HE3 LYS 24 HE1 LYS 24 2.533 -0.618 8.439 182 HZ1 LYS 24 HZ1 LYS 24 2.608 -2.699 9.590 183 HZ2 LYS 24 HZ2 LYS 24 1.106 -2.487 10.225 184 HZ3 LYS 24 HZ3 LYS 24 2.374 -1.532 10.802 185 HA PRO 25 HA PRO 25 2.961 6.725 9.471 186 HB2 PRO 25 HB2 PRO 25 1.984 8.927 10.644 187 HB3 PRO 25 HB1 PRO 25 1.250 8.259 9.182 188 HG2 PRO 25 HG2 PRO 25 0.389 7.964 12.033 189 HG3 PRO 25 HG1 PRO 25 -0.594 8.308 10.597 190 HD2 PRO 25 HD2 PRO 25 -0.366 5.834 11.702 191 HD3 PRO 25 HD1 PRO 25 -0.672 6.097 9.974 192 H HIS 26 HN HIS 26 2.787 5.088 12.086 193 HA HIS 26 HA HIS 26 4.299 6.865 13.901 194 HB2 HIS 26 HB2 HIS 26 2.934 4.243 14.579 195 HB3 HIS 26 HB1 HIS 26 3.632 5.396 15.700 196 HD1 HIS 26 HD1 HIS 26 2.141 7.381 16.393 197 HD2 HIS 26 HD2 HIS 26 0.451 4.919 13.519 198 HE1 HIS 26 HE1 HIS 26 -0.288 8.078 16.202 199 H LEU 27 HN LEU 27 4.794 4.553 11.601 200 HA LEU 27 HA LEU 27 6.724 3.043 13.181 201 HB2 LEU 27 HB2 LEU 27 4.781 1.975 11.839 202 HB3 LEU 27 HB1 LEU 27 5.753 2.332 10.429 203 HG LEU 27 HG LEU 27 7.556 0.887 11.327 204 HD11 LEU 27 HD11 LEU 27 5.537 0.319 13.492 205 HD12 LEU 27 HD12 LEU 27 7.112 1.100 13.711 206 HD13 LEU 27 HD13 LEU 27 7.018 -0.588 13.225 207 HD21 LEU 27 HD21 LEU 27 6.382 -1.244 11.011 208 HD22 LEU 27 HD22 LEU 27 5.925 -0.044 9.803 209 HD23 LEU 27 HD23 LEU 27 4.834 -0.404 11.136 210 H SER 28 HN SER 28 8.837 3.194 12.753 211 HA SER 28 HA SER 28 9.782 5.335 11.097 212 HB2 SER 28 HB2 SER 28 11.384 3.307 12.664 213 HB3 SER 28 HB1 SER 28 11.828 4.962 12.236 214 HG SER 28 HG SER 28 10.899 4.390 14.478 215 H ARG 29 HN ARG 29 11.867 4.838 9.700 216 HA ARG 29 HA ARG 29 11.167 3.241 7.520 217 HB2 ARG 29 HB2 ARG 29 12.831 5.059 7.374 218 HB3 ARG 29 HB1 ARG 29 13.966 4.084 8.303 219 HG2 ARG 29 HG2 ARG 29 13.787 2.349 6.489 220 HG3 ARG 29 HG1 ARG 29 12.901 3.543 5.545 221 HD2 ARG 29 HD2 ARG 29 15.722 3.794 6.584 222 HD3 ARG 29 HD1 ARG 29 15.249 3.470 4.921 223 HE ARG 29 HE ARG 29 14.445 5.979 6.231 224 HH11 ARG 29 HH11 ARG 29 16.146 4.313 3.560 225 HH12 ARG 29 HH12 ARG 29 16.657 5.745 2.828 226 HH21 ARG 29 HH21 ARG 29 15.195 7.937 5.204 227 HH22 ARG 29 HH22 ARG 29 16.125 7.850 3.788 228 H ASP 30 HN ASP 30 13.587 2.515 10.049 229 HA ASP 30 HA ASP 30 14.181 -0.036 8.944 230 HB2 ASP 30 HB2 ASP 30 15.572 -0.395 10.940 231 HB3 ASP 30 HB1 ASP 30 15.867 1.192 10.252 232 H GLN 31 HN GLN 31 11.988 1.126 11.273 233 HA GLN 31 HA GLN 31 11.183 -1.394 12.340 234 HB2 GLN 31 HB2 GLN 31 9.775 1.272 12.250 235 HB3 GLN 31 HB1 GLN 31 9.153 -0.133 13.096 236 HG2 GLN 31 HG2 GLN 31 11.823 1.112 13.681 237 HG3 GLN 31 HG1 GLN 31 10.333 1.550 14.511 238 HE21 GLN 31 HE21 GLN 31 11.101 0.882 16.464 239 HE22 GLN 31 HE22 GLN 31 11.288 -0.753 16.910 240 H ALA 32 HN ALA 32 10.175 0.548 9.630 241 HA ALA 32 HA ALA 32 7.871 -0.872 8.860 242 HB1 ALA 32 HB1 ALA 32 9.847 0.656 7.176 243 HB2 ALA 32 HB2 ALA 32 8.477 1.360 8.032 244 HB3 ALA 32 HB3 ALA 32 8.201 0.232 6.693 245 H ILE 33 HN ILE 33 11.255 -1.159 8.054 246 HA ILE 33 HA ILE 33 11.035 -3.305 6.221 247 HB ILE 33 HB ILE 33 13.370 -2.507 7.981 248 HG12 ILE 33 HG12 ILE 33 12.835 -1.784 5.097 249 HG13 ILE 33 HG11 ILE 33 12.450 -0.732 6.454 250 HG21 ILE 33 HG21 ILE 33 13.299 -4.180 5.463 251 HG22 ILE 33 HG22 ILE 33 13.597 -4.779 7.094 252 HG23 ILE 33 HG23 ILE 33 14.753 -3.680 6.331 253 HD11 ILE 33 HD11 ILE 33 14.533 -0.098 5.411 254 HD12 ILE 33 HD12 ILE 33 15.193 -1.715 5.719 255 HD13 ILE 33 HD13 ILE 33 14.772 -0.651 7.067 256 H ALA 34 HN ALA 34 11.654 -3.081 9.669 257 HA ALA 34 HA ALA 34 12.048 -5.768 10.302 258 HB1 ALA 34 HB1 ALA 34 11.548 -5.164 12.561 259 HB2 ALA 34 HB2 ALA 34 10.680 -3.742 12.025 260 HB3 ALA 34 HB3 ALA 34 12.441 -3.822 11.819 261 H LEU 35 HN LEU 35 9.166 -4.009 9.695 262 HA LEU 35 HA LEU 35 7.338 -5.919 10.803 263 HB2 LEU 35 HB2 LEU 35 7.206 -3.311 10.360 264 HB3 LEU 35 HB1 LEU 35 6.628 -3.816 8.794 265 HG LEU 35 HG LEU 35 4.805 -3.197 10.294 266 HD11 LEU 35 HD11 LEU 35 4.819 -6.147 9.729 267 HD12 LEU 35 HD12 LEU 35 4.324 -4.871 8.615 268 HD13 LEU 35 HD13 LEU 35 3.395 -5.163 10.087 269 HD21 LEU 35 HD21 LEU 35 5.939 -3.756 12.376 270 HD22 LEU 35 HD22 LEU 35 5.736 -5.469 12.033 271 HD23 LEU 35 HD23 LEU 35 4.318 -4.444 12.293 272 H LEU 36 HN LEU 36 8.599 -5.027 7.653 273 HA LEU 36 HA LEU 36 6.859 -6.846 6.236 274 HB2 LEU 36 HB2 LEU 36 8.712 -4.685 5.477 275 HB3 LEU 36 HB1 LEU 36 8.413 -5.932 4.292 276 HG LEU 36 HG LEU 36 6.058 -5.391 4.216 277 HD11 LEU 36 HD11 LEU 36 5.699 -4.861 6.572 278 HD12 LEU 36 HD12 LEU 36 5.080 -3.596 5.513 279 HD13 LEU 36 HD13 LEU 36 6.606 -3.359 6.369 280 HD21 LEU 36 HD21 LEU 36 7.579 -4.060 2.850 281 HD22 LEU 36 HD22 LEU 36 7.745 -2.904 4.163 282 HD23 LEU 36 HD23 LEU 36 6.183 -3.112 3.368 283 H LYS 37 HN LYS 37 10.054 -6.973 7.453 284 HA LYS 37 HA LYS 37 11.159 -8.717 5.587 285 HB2 LYS 37 HB2 LYS 37 12.844 -9.293 7.298 286 HB3 LYS 37 HB1 LYS 37 12.605 -7.563 7.134 287 HG2 LYS 37 HG2 LYS 37 11.149 -7.651 9.137 288 HG3 LYS 37 HG1 LYS 37 11.604 -9.347 9.338 289 HD2 LYS 37 HD2 LYS 37 13.477 -6.970 9.343 290 HD3 LYS 37 HD1 LYS 37 12.948 -7.858 10.769 291 HE2 LYS 37 HE2 LYS 37 14.054 -9.882 9.837 292 HE3 LYS 37 HE1 LYS 37 14.638 -8.892 8.496 293 HZ1 LYS 37 HZ1 LYS 37 15.278 -8.479 11.362 294 HZ2 LYS 37 HZ2 LYS 37 15.856 -7.529 10.100 295 HZ3 LYS 37 HZ3 LYS 37 16.309 -9.135 10.217 296 H ASP 38 HN ASP 38 9.124 -9.457 8.378 297 HA ASP 38 HA ASP 38 9.396 -12.285 7.743 298 HB2 ASP 38 HB2 ASP 38 8.057 -12.751 9.760 299 HB3 ASP 38 HB1 ASP 38 9.416 -11.712 10.141 300 H LYS 39 HN LYS 39 7.741 -9.940 6.390 301 HA LYS 39 HA LYS 39 5.243 -11.440 6.162 302 HB2 LYS 39 HB2 LYS 39 5.857 -8.580 5.444 303 HB3 LYS 39 HB1 LYS 39 4.366 -9.373 4.975 304 HG2 LYS 39 HG2 LYS 39 5.324 -8.986 7.797 305 HG3 LYS 39 HG1 LYS 39 4.122 -7.985 6.989 306 HD2 LYS 39 HD2 LYS 39 3.802 -10.971 7.411 307 HD3 LYS 39 HD1 LYS 39 3.189 -9.757 8.520 308 HE2 LYS 39 HE2 LYS 39 2.410 -9.971 5.610 309 HE3 LYS 39 HE1 LYS 39 1.483 -10.629 6.956 310 HZ1 LYS 39 HZ1 LYS 39 0.578 -8.493 6.376 311 HZ2 LYS 39 HZ2 LYS 39 2.104 -7.765 6.503 312 HZ3 LYS 39 HZ3 LYS 39 1.348 -8.376 7.870 313 H ASP 40 HN ASP 40 4.154 -11.224 4.034 314 HA ASP 40 HA ASP 40 5.703 -12.635 2.106 315 HB2 ASP 40 HB2 ASP 40 3.462 -12.838 1.040 316 HB3 ASP 40 HB1 ASP 40 3.490 -13.381 2.714 317 HA PRO 41 HA PRO 41 6.253 -9.240 -0.795 318 HB2 PRO 41 HB2 PRO 41 5.475 -10.966 -3.035 319 HB3 PRO 41 HB1 PRO 41 7.054 -10.265 -2.683 320 HG2 PRO 41 HG2 PRO 41 6.555 -12.911 -2.452 321 HG3 PRO 41 HG1 PRO 41 7.718 -12.057 -1.422 322 HD2 PRO 41 HD2 PRO 41 4.930 -12.938 -0.812 323 HD3 PRO 41 HD1 PRO 41 6.379 -12.963 0.217 324 H GLY 42 HN GLY 42 4.748 -7.759 -0.778 325 HA2 GLY 42 HA2 GLY 42 2.778 -7.052 -2.254 326 HA3 GLY 42 HA1 GLY 42 1.987 -8.459 -1.547 327 H ALA 43 HN ALA 43 3.582 -7.978 0.924 328 HA ALA 43 HA ALA 43 1.703 -6.347 2.286 329 HB1 ALA 43 HB1 ALA 43 4.395 -7.363 3.210 330 HB2 ALA 43 HB2 ALA 43 2.856 -8.199 3.413 331 HB3 ALA 43 HB3 ALA 43 3.145 -6.670 4.245 332 H PHE 44 HN PHE 44 1.849 -4.240 2.891 333 HA PHE 44 HA PHE 44 4.269 -2.770 2.438 334 HB2 PHE 44 HB2 PHE 44 3.226 -1.166 0.928 335 HB3 PHE 44 HB1 PHE 44 3.181 -2.767 0.211 336 HD1 PHE 44 HD1 PHE 44 1.019 -4.032 0.196 337 HD2 PHE 44 HD2 PHE 44 1.243 0.058 1.344 338 HE1 PHE 44 HE1 PHE 44 -1.388 -3.799 -0.179 339 HE2 PHE 44 HE2 PHE 44 -1.174 0.290 0.983 340 HZ PHE 44 HZ PHE 44 -2.491 -1.643 0.224 341 H LEU 45 HN LEU 45 3.782 -0.445 3.020 342 HA LEU 45 HA LEU 45 1.456 0.017 4.626 343 HB2 LEU 45 HB2 LEU 45 2.541 0.614 6.643 344 HB3 LEU 45 HB1 LEU 45 3.038 -1.019 6.253 345 HG LEU 45 HG LEU 45 4.783 1.371 5.643 346 HD11 LEU 45 HD11 LEU 45 5.953 0.880 7.722 347 HD12 LEU 45 HD12 LEU 45 4.736 -0.337 8.113 348 HD13 LEU 45 HD13 LEU 45 4.285 1.369 8.023 349 HD21 LEU 45 HD21 LEU 45 6.555 -0.299 5.702 350 HD22 LEU 45 HD22 LEU 45 5.324 -0.727 4.509 351 HD23 LEU 45 HD23 LEU 45 5.369 -1.547 6.070 352 H ILE 46 HN ILE 46 1.274 2.207 5.178 353 HA ILE 46 HA ILE 46 3.120 3.957 3.777 354 HB ILE 46 HB ILE 46 0.102 4.288 4.031 355 HG12 ILE 46 HG12 ILE 46 1.888 3.979 1.605 356 HG13 ILE 46 HG11 ILE 46 0.813 2.744 2.246 357 HG21 ILE 46 HG21 ILE 46 0.387 6.388 2.789 358 HG22 ILE 46 HG22 ILE 46 2.136 6.178 2.860 359 HG23 ILE 46 HG23 ILE 46 1.218 6.433 4.346 360 HD11 ILE 46 HD11 ILE 46 -0.119 3.812 0.267 361 HD12 ILE 46 HD12 ILE 46 -0.028 5.387 1.061 362 HD13 ILE 46 HD13 ILE 46 -1.112 4.144 1.685 363 H ARG 47 HN ARG 47 4.184 5.067 5.127 364 HA ARG 47 HA ARG 47 3.059 5.700 7.773 365 HB2 ARG 47 HB2 ARG 47 5.354 5.900 8.585 366 HB3 ARG 47 HB1 ARG 47 5.178 4.355 7.767 367 HG2 ARG 47 HG2 ARG 47 6.233 5.335 5.760 368 HG3 ARG 47 HG1 ARG 47 6.467 6.837 6.661 369 HD2 ARG 47 HD2 ARG 47 7.831 5.588 8.305 370 HD3 ARG 47 HD1 ARG 47 7.646 4.139 7.322 371 HE ARG 47 HE ARG 47 9.069 6.585 6.538 372 HH11 ARG 47 HH11 ARG 47 8.556 3.099 6.165 373 HH12 ARG 47 HH12 ARG 47 9.871 2.856 5.100 374 HH21 ARG 47 HH21 ARG 47 10.889 6.264 5.070 375 HH22 ARG 47 HH22 ARG 47 11.225 4.715 4.459 376 H ASP 48 HN ASP 48 4.505 7.894 8.514 377 HA ASP 48 HA ASP 48 3.843 9.862 6.443 378 HB2 ASP 48 HB2 ASP 48 2.970 10.025 8.891 379 HB3 ASP 48 HB1 ASP 48 4.629 10.419 9.317 380 H SER 49 HN SER 49 5.565 10.870 5.434 381 HA SER 49 HA SER 49 8.173 9.965 6.271 382 HB2 SER 49 HB2 SER 49 7.308 11.461 3.786 383 HB3 SER 49 HB1 SER 49 8.975 11.016 4.146 384 HG SER 49 HG SER 49 7.080 9.558 3.015 385 H HIS 50 HN HIS 50 8.681 11.058 7.996 386 HA HIS 50 HA HIS 50 8.238 13.856 8.346 387 HB2 HIS 50 HB2 HIS 50 9.948 11.948 9.914 388 HB3 HIS 50 HB1 HIS 50 9.566 13.597 10.399 389 HD1 HIS 50 HD1 HIS 50 6.699 13.932 10.463 390 HD2 HIS 50 HD2 HIS 50 8.321 10.139 10.982 391 HE1 HIS 50 HE1 HIS 50 4.911 12.547 11.534 392 H SER 51 HN SER 51 10.109 12.646 6.290 393 HA SER 51 HA SER 51 12.523 14.184 6.663 394 HB2 SER 51 HB2 SER 51 12.518 11.931 5.639 395 HB3 SER 51 HB1 SER 51 11.503 12.527 4.335 396 HG SER 51 HG SER 51 13.829 13.950 4.750 397 H PHE 52 HN PHE 52 9.343 14.539 5.432 398 HA PHE 52 HA PHE 52 9.872 17.232 4.434 399 HB2 PHE 52 HB2 PHE 52 8.208 15.177 2.925 400 HB3 PHE 52 HB1 PHE 52 8.428 16.855 2.472 401 HD1 PHE 52 HD2 PHE 52 9.892 13.537 2.564 402 HD2 PHE 52 HD1 PHE 52 10.473 17.575 1.387 403 HE1 PHE 52 HE2 PHE 52 11.751 12.840 1.182 404 HE2 PHE 52 HE1 PHE 52 12.360 16.888 -0.034 405 HZ PHE 52 HZ PHE 52 13.007 14.517 -0.147 406 H GLN 53 HN GLN 53 7.351 17.970 3.826 407 HA GLN 53 HA GLN 53 5.619 16.786 5.845 408 HB2 GLN 53 HB2 GLN 53 4.560 18.964 6.232 409 HB3 GLN 53 HB1 GLN 53 6.279 19.059 6.567 410 HG2 GLN 53 HG2 GLN 53 6.692 20.250 4.565 411 HG3 GLN 53 HG1 GLN 53 5.054 19.951 3.975 412 HE21 GLN 53 HE21 GLN 53 3.352 21.055 4.914 413 HE22 GLN 53 HE22 GLN 53 3.581 22.518 5.792 414 H GLY 54 HN GLY 54 3.626 16.204 5.104 415 HA2 GLY 54 HA2 GLY 54 1.851 16.044 3.614 416 HA3 GLY 54 HA1 GLY 54 2.670 17.192 2.552 417 H ALA 55 HN ALA 55 4.390 14.513 3.797 418 HA ALA 55 HA ALA 55 4.164 13.129 1.245 419 HB1 ALA 55 HB1 ALA 55 6.726 13.622 2.773 420 HB2 ALA 55 HB2 ALA 55 6.287 14.377 1.241 421 HB3 ALA 55 HB3 ALA 55 6.576 12.640 1.322 422 H TYR 56 HN TYR 56 3.729 11.133 1.488 423 HA TYR 56 HA TYR 56 3.891 9.909 4.145 424 HB2 TYR 56 HB2 TYR 56 2.328 9.080 1.677 425 HB3 TYR 56 HB1 TYR 56 2.309 8.248 3.229 426 HD1 TYR 56 HD2 TYR 56 1.210 9.249 5.148 427 HD2 TYR 56 HD1 TYR 56 1.112 11.123 1.343 428 HE1 TYR 56 HE2 TYR 56 -0.612 10.683 5.914 429 HE2 TYR 56 HE1 TYR 56 -0.720 12.576 2.097 430 HH TYR 56 HH TYR 56 -1.643 12.730 5.417 431 H GLY 57 HN GLY 57 4.603 7.602 4.077 432 HA2 GLY 57 HA2 GLY 57 6.554 7.272 1.901 433 HA3 GLY 57 HA1 GLY 57 7.002 6.917 3.546 434 H LEU 58 HN LEU 58 6.230 5.549 0.757 435 HA LEU 58 HA LEU 58 4.590 3.399 1.807 436 HB2 LEU 58 HB2 LEU 58 3.803 4.537 -0.212 437 HB3 LEU 58 HB1 LEU 58 5.336 4.287 -0.992 438 HG LEU 58 HG LEU 58 3.430 2.895 -1.852 439 HD11 LEU 58 HD11 LEU 58 5.770 1.326 -0.814 440 HD12 LEU 58 HD12 LEU 58 5.693 2.218 -2.333 441 HD13 LEU 58 HD13 LEU 58 4.654 0.811 -2.083 442 HD21 LEU 58 HD21 LEU 58 3.701 1.472 0.790 443 HD22 LEU 58 HD22 LEU 58 2.769 0.901 -0.594 444 HD23 LEU 58 HD23 LEU 58 2.306 2.392 0.222 445 H ALA 59 HN ALA 59 5.517 1.575 2.267 446 HA ALA 59 HA ALA 59 8.109 0.941 1.064 447 HB1 ALA 59 HB1 ALA 59 8.409 1.440 3.445 448 HB2 ALA 59 HB2 ALA 59 8.666 -0.283 3.139 449 HB3 ALA 59 HB3 ALA 59 7.151 0.272 3.849 450 H LEU 60 HN LEU 60 7.915 -0.679 -0.213 451 HA LEU 60 HA LEU 60 5.624 -2.520 0.074 452 HB2 LEU 60 HB2 LEU 60 5.551 -1.224 -1.958 453 HB3 LEU 60 HB1 LEU 60 7.203 -1.646 -2.338 454 HG LEU 60 HG LEU 60 6.481 -4.013 -2.623 455 HD11 LEU 60 HD11 LEU 60 3.714 -2.878 -2.342 456 HD12 LEU 60 HD12 LEU 60 4.504 -4.028 -1.259 457 HD13 LEU 60 HD13 LEU 60 4.106 -4.501 -2.912 458 HD21 LEU 60 HD21 LEU 60 5.404 -3.649 -4.801 459 HD22 LEU 60 HD22 LEU 60 6.772 -2.572 -4.529 460 HD23 LEU 60 HD23 LEU 60 5.124 -1.959 -4.366 461 H LYS 61 HN LYS 61 6.094 -4.598 0.536 462 HA LYS 61 HA LYS 61 8.867 -5.464 0.462 463 HB2 LYS 61 HB2 LYS 61 6.885 -6.000 2.214 464 HB3 LYS 61 HB1 LYS 61 6.603 -7.306 1.084 465 HG2 LYS 61 HG2 LYS 61 9.133 -6.786 2.638 466 HG3 LYS 61 HG1 LYS 61 7.947 -8.065 2.913 467 HD2 LYS 61 HD2 LYS 61 8.543 -9.052 0.756 468 HD3 LYS 61 HD1 LYS 61 9.686 -7.730 0.485 469 HE2 LYS 61 HE2 LYS 61 10.883 -9.689 1.276 470 HE3 LYS 61 HE1 LYS 61 10.936 -8.412 2.479 471 HZ1 LYS 61 HZ1 LYS 61 10.487 -10.581 3.453 472 HZ2 LYS 61 HZ2 LYS 61 9.099 -10.742 2.544 473 HZ3 LYS 61 HZ3 LYS 61 9.186 -9.539 3.723 474 H VAL 62 HN VAL 62 9.572 -6.210 -1.433 475 HA VAL 62 HA VAL 62 7.636 -7.397 -3.282 476 HB VAL 62 HB VAL 62 9.209 -6.962 -5.079 477 HG11 VAL 62 HG11 VAL 62 8.774 -4.550 -3.347 478 HG12 VAL 62 HG12 VAL 62 7.686 -5.181 -4.586 479 HG13 VAL 62 HG13 VAL 62 9.251 -4.498 -5.040 480 HG21 VAL 62 HG21 VAL 62 11.321 -7.269 -3.897 481 HG22 VAL 62 HG22 VAL 62 11.042 -5.795 -2.976 482 HG23 VAL 62 HG23 VAL 62 11.302 -5.707 -4.720 483 H ALA 63 HN ALA 63 8.638 -9.104 -4.703 484 HA ALA 63 HA ALA 63 9.599 -11.235 -3.109 485 HB1 ALA 63 HB1 ALA 63 9.564 -10.861 -6.107 486 HB2 ALA 63 HB2 ALA 63 8.310 -11.643 -5.147 487 HB3 ALA 63 HB3 ALA 63 9.907 -12.382 -5.291 488 H THR 64 HN THR 64 11.100 -9.477 -5.793 489 HA THR 64 HA THR 64 13.522 -9.012 -4.398 490 HB THR 64 HB THR 64 14.751 -9.973 -6.491 491 HG1 THR 64 HG1 THR 64 13.199 -10.746 -7.714 492 HG21 THR 64 HG21 THR 64 15.200 -12.108 -5.327 493 HG22 THR 64 HG22 THR 64 13.819 -11.793 -4.273 494 HG23 THR 64 HG23 THR 64 15.219 -10.725 -4.234 495 HA PRO 65 HA PRO 65 13.180 -5.562 -7.255 496 HB2 PRO 65 HB2 PRO 65 16.142 -5.361 -6.945 497 HB3 PRO 65 HB1 PRO 65 14.912 -4.119 -6.680 498 HG2 PRO 65 HG2 PRO 65 16.141 -5.287 -4.628 499 HG3 PRO 65 HG1 PRO 65 14.418 -4.880 -4.540 500 HD2 PRO 65 HD2 PRO 65 15.729 -7.529 -5.051 501 HD3 PRO 65 HD1 PRO 65 14.302 -7.150 -4.032 502 HA PRO 66 HA PRO 66 16.143 -7.654 -10.618 503 HB2 PRO 66 HB2 PRO 66 17.164 -10.099 -9.903 504 HB3 PRO 66 HB1 PRO 66 18.034 -8.606 -9.523 505 HG2 PRO 66 HG2 PRO 66 16.164 -10.065 -7.790 506 HG3 PRO 66 HG1 PRO 66 17.847 -9.591 -7.452 507 HD2 PRO 66 HD2 PRO 66 15.876 -8.218 -6.629 508 HD3 PRO 66 HD1 PRO 66 17.268 -7.333 -7.346 509 HA PRO 67 HA PRO 67 12.439 -10.006 -11.675 510 HB2 PRO 67 HB2 PRO 67 14.047 -11.160 -13.876 511 HB3 PRO 67 HB1 PRO 67 12.536 -10.250 -13.948 512 HG2 PRO 67 HG2 PRO 67 14.841 -9.139 -14.701 513 HG3 PRO 67 HG1 PRO 67 13.609 -8.204 -13.838 514 HD2 PRO 67 HD2 PRO 67 16.160 -9.378 -12.806 515 HD3 PRO 67 HD1 PRO 67 15.386 -7.820 -12.442 516 H SER 68 HN SER 68 15.516 -11.753 -11.914 517 HA SER 68 HA SER 68 14.122 -14.193 -10.999 518 HB2 SER 68 HB2 SER 68 16.676 -14.115 -12.616 519 HB3 SER 68 HB1 SER 68 15.629 -15.497 -12.307 520 HG SER 68 HG SER 68 14.498 -14.951 -13.967 521 H ALA 69 HN ALA 69 16.600 -11.922 -10.453 522 HA ALA 69 HA ALA 69 18.058 -11.516 -8.819 523 HB1 ALA 69 HB1 ALA 69 16.199 -12.007 -7.378 524 HB2 ALA 69 HB2 ALA 69 17.738 -12.389 -6.634 525 HB3 ALA 69 HB3 ALA 69 16.696 -13.707 -7.240 526 H GLN 70 HN GLN 70 18.534 -13.505 -10.844 527 HA GLN 70 HA GLN 70 20.477 -15.261 -9.793 528 HB2 GLN 70 HB2 GLN 70 20.049 -14.258 -12.612 529 HB3 GLN 70 HB1 GLN 70 21.246 -15.475 -12.179 530 HG2 GLN 70 HG2 GLN 70 19.478 -16.926 -11.338 531 HG3 GLN 70 HG1 GLN 70 18.276 -15.707 -11.748 532 HE21 GLN 70 HE21 GLN 70 17.209 -17.147 -13.115 533 HE22 GLN 70 HE22 GLN 70 17.840 -17.577 -14.649 534 HA PRO 71 HA PRO 71 23.594 -11.601 -10.538 535 HB2 PRO 71 HB2 PRO 71 21.772 -9.290 -10.169 536 HB3 PRO 71 HB1 PRO 71 23.107 -9.485 -11.310 537 HG2 PRO 71 HG2 PRO 71 20.581 -9.512 -12.147 538 HG3 PRO 71 HG1 PRO 71 21.814 -10.568 -12.862 539 HD2 PRO 71 HD2 PRO 71 19.698 -11.228 -10.862 540 HD3 PRO 71 HD1 PRO 71 20.238 -12.148 -12.282 541 H TRP 72 HN TRP 72 24.320 -12.051 -8.546 542 HA TRP 72 HA TRP 72 22.856 -11.044 -6.215 543 HB2 TRP 72 HB2 TRP 72 22.416 -13.454 -6.514 544 HB3 TRP 72 HB1 TRP 72 24.143 -13.775 -6.546 545 HD1 TRP 72 HD1 TRP 72 25.441 -13.395 -4.126 546 HE1 TRP 72 HE1 TRP 72 24.578 -13.706 -1.744 547 HE3 TRP 72 HE3 TRP 72 20.421 -13.327 -5.080 548 HZ2 TRP 72 HZ2 TRP 72 22.093 -13.923 -0.418 549 HZ3 TRP 72 HZ3 TRP 72 18.869 -13.607 -3.192 550 HH2 TRP 72 HH2 TRP 72 19.689 -13.902 -0.914 551 H LYS 73 HN LYS 73 24.189 -10.296 -4.632 552 HA LYS 73 HA LYS 73 27.072 -10.766 -4.947 553 HB2 LYS 73 HB2 LYS 73 26.457 -8.525 -5.943 554 HB3 LYS 73 HB1 LYS 73 25.980 -8.012 -4.329 555 HG2 LYS 73 HG2 LYS 73 28.175 -7.189 -4.739 556 HG3 LYS 73 HG1 LYS 73 28.313 -8.512 -3.576 557 HD2 LYS 73 HD2 LYS 73 28.911 -10.039 -5.439 558 HD3 LYS 73 HD1 LYS 73 28.839 -8.673 -6.548 559 HE2 LYS 73 HE2 LYS 73 30.612 -7.572 -5.200 560 HE3 LYS 73 HE1 LYS 73 30.716 -9.035 -4.227 561 HZ1 LYS 73 HZ1 LYS 73 31.259 -8.829 -7.136 562 HZ2 LYS 73 HZ2 LYS 73 31.285 -10.257 -6.257 563 HZ3 LYS 73 HZ3 LYS 73 32.402 -9.045 -5.913 564 H GLY 74 HN GLY 74 24.426 -9.716 -2.934 565 HA2 GLY 74 HA2 GLY 74 25.423 -11.129 -0.676 566 HA3 GLY 74 HA1 GLY 74 25.517 -9.370 -0.478 567 H ASP 75 HN ASP 75 23.593 -8.280 -1.442 568 HA ASP 75 HA ASP 75 21.419 -7.734 -1.488 569 HB2 ASP 75 HB2 ASP 75 21.174 -10.654 -2.178 570 HB3 ASP 75 HB1 ASP 75 19.835 -9.517 -2.284 571 HA PRO 76 HA PRO 76 20.252 -8.890 2.739 572 HB2 PRO 76 HB2 PRO 76 19.741 -6.425 3.620 573 HB3 PRO 76 HB1 PRO 76 21.406 -6.983 3.404 574 HG2 PRO 76 HG2 PRO 76 19.755 -5.232 1.631 575 HG3 PRO 76 HG1 PRO 76 21.459 -5.069 2.084 576 HD2 PRO 76 HD2 PRO 76 20.561 -6.166 -0.285 577 HD3 PRO 76 HD1 PRO 76 22.144 -6.507 0.435 578 H VAL 77 HN VAL 77 18.228 -8.581 3.927 579 HA VAL 77 HA VAL 77 15.977 -8.803 2.210 580 HB VAL 77 HB VAL 77 15.902 -10.185 4.191 581 HG11 VAL 77 HG11 VAL 77 15.859 -9.298 6.468 582 HG12 VAL 77 HG12 VAL 77 16.116 -7.672 5.837 583 HG13 VAL 77 HG13 VAL 77 17.366 -8.900 5.643 584 HG21 VAL 77 HG21 VAL 77 13.791 -9.575 5.242 585 HG22 VAL 77 HG22 VAL 77 13.722 -9.253 3.496 586 HG23 VAL 77 HG23 VAL 77 13.983 -7.933 4.638 587 H GLU 78 HN GLU 78 17.366 -6.254 4.021 588 HA GLU 78 HA GLU 78 15.198 -4.471 4.022 589 HB2 GLU 78 HB2 GLU 78 18.116 -3.720 3.923 590 HB3 GLU 78 HB1 GLU 78 16.794 -2.747 4.547 591 HG2 GLU 78 HG2 GLU 78 17.562 -3.545 6.543 592 HG3 GLU 78 HG1 GLU 78 16.512 -4.872 6.107 593 H GLN 79 HN GLN 79 17.136 -5.558 1.466 594 HA GLN 79 HA GLN 79 16.721 -3.239 -0.217 595 HB2 GLN 79 HB2 GLN 79 18.798 -4.561 -0.396 596 HB3 GLN 79 HB1 GLN 79 17.864 -5.975 -0.837 597 HG2 GLN 79 HG2 GLN 79 17.170 -4.902 -2.891 598 HG3 GLN 79 HG1 GLN 79 18.048 -3.439 -2.447 599 HE21 GLN 79 HE21 GLN 79 18.333 -6.745 -3.517 600 HE22 GLN 79 HE22 GLN 79 19.979 -6.677 -3.957 601 H LEU 80 HN LEU 80 15.085 -6.101 0.643 602 HA LEU 80 HA LEU 80 13.577 -6.404 -1.798 603 HB2 LEU 80 HB2 LEU 80 13.101 -7.652 0.910 604 HB3 LEU 80 HB1 LEU 80 12.384 -8.152 -0.607 605 HG LEU 80 HG LEU 80 15.304 -8.375 0.119 606 HD11 LEU 80 HD11 LEU 80 13.164 -10.473 -0.157 607 HD12 LEU 80 HD12 LEU 80 13.929 -9.937 1.340 608 HD13 LEU 80 HD13 LEU 80 14.881 -10.775 0.117 609 HD21 LEU 80 HD21 LEU 80 15.495 -9.676 -1.954 610 HD22 LEU 80 HD22 LEU 80 15.036 -8.005 -2.261 611 HD23 LEU 80 HD23 LEU 80 13.820 -9.285 -2.343 612 H VAL 81 HN VAL 81 13.455 -4.428 0.883 613 HA VAL 81 HA VAL 81 10.605 -3.908 0.563 614 HB VAL 81 HB VAL 81 12.557 -2.864 2.650 615 HG11 VAL 81 HG11 VAL 81 9.550 -2.598 2.484 616 HG12 VAL 81 HG12 VAL 81 10.722 -1.302 2.251 617 HG13 VAL 81 HG13 VAL 81 10.553 -2.062 3.834 618 HG21 VAL 81 HG21 VAL 81 12.171 -5.244 2.925 619 HG22 VAL 81 HG22 VAL 81 10.433 -4.996 2.838 620 HG23 VAL 81 HG23 VAL 81 11.344 -4.362 4.213 621 H ARG 82 HN ARG 82 10.221 -2.526 -0.973 622 HA ARG 82 HA ARG 82 12.289 -0.648 -1.803 623 HB2 ARG 82 HB2 ARG 82 9.549 -0.997 -3.013 624 HB3 ARG 82 HB1 ARG 82 10.904 -0.127 -3.699 625 HG2 ARG 82 HG2 ARG 82 10.565 -3.101 -3.421 626 HG3 ARG 82 HG1 ARG 82 10.731 -2.148 -4.894 627 HD2 ARG 82 HD2 ARG 82 12.819 -2.659 -2.803 628 HD3 ARG 82 HD1 ARG 82 12.765 -3.323 -4.446 629 HE ARG 82 HE ARG 82 12.918 -0.810 -5.054 630 HH11 ARG 82 HH11 ARG 82 14.700 -2.480 -2.451 631 HH12 ARG 82 HH12 ARG 82 15.927 -1.301 -2.390 632 HH21 ARG 82 HH21 ARG 82 14.672 0.740 -4.953 633 HH22 ARG 82 HH22 ARG 82 15.948 0.516 -3.853 634 H HIS 83 HN HIS 83 12.255 1.405 -1.397 635 HA HIS 83 HA HIS 83 9.982 2.455 0.100 636 HB2 HIS 83 HB2 HIS 83 12.900 3.119 0.191 637 HB3 HIS 83 HB1 HIS 83 11.711 4.306 0.709 638 HD1 HIS 83 HD1 HIS 83 13.591 1.390 1.947 639 HD2 HIS 83 HD2 HIS 83 10.049 3.370 2.851 640 HE1 HIS 83 HE1 HIS 83 12.968 0.686 4.274 641 H PHE 84 HN PHE 84 8.756 3.874 -0.746 642 HA PHE 84 HA PHE 84 9.757 5.740 -2.748 643 HB2 PHE 84 HB2 PHE 84 7.231 4.071 -2.968 644 HB3 PHE 84 HB1 PHE 84 7.581 5.458 -3.973 645 HD1 PHE 84 HD1 PHE 84 9.357 5.334 -5.671 646 HD2 PHE 84 HD2 PHE 84 8.199 1.934 -3.383 647 HE1 PHE 84 HE1 PHE 84 10.430 3.862 -7.322 648 HE2 PHE 84 HE2 PHE 84 9.283 0.456 -5.033 649 HZ PHE 84 HZ PHE 84 10.386 1.422 -7.003 650 H LEU 85 HN LEU 85 9.000 7.788 -2.159 651 HA LEU 85 HA LEU 85 6.937 7.688 -0.122 652 HB2 LEU 85 HB2 LEU 85 7.348 10.059 0.383 653 HB3 LEU 85 HB1 LEU 85 8.727 9.034 0.670 654 HG LEU 85 HG LEU 85 8.627 10.502 -1.921 655 HD11 LEU 85 HD11 LEU 85 9.603 12.459 -0.764 656 HD12 LEU 85 HD12 LEU 85 9.238 11.679 0.787 657 HD13 LEU 85 HD13 LEU 85 7.929 12.164 -0.287 658 HD21 LEU 85 HD21 LEU 85 10.733 9.907 0.115 659 HD22 LEU 85 HD22 LEU 85 11.019 10.585 -1.496 660 HD23 LEU 85 HD23 LEU 85 10.417 8.921 -1.308 661 H ILE 86 HN ILE 86 5.263 9.179 -0.106 662 HA ILE 86 HA ILE 86 4.161 9.514 -2.804 663 HB ILE 86 HB ILE 86 2.812 8.840 -0.191 664 HG12 ILE 86 HG12 ILE 86 3.118 7.184 -2.696 665 HG13 ILE 86 HG11 ILE 86 4.027 6.952 -1.207 666 HG21 ILE 86 HG21 ILE 86 0.756 8.633 -1.500 667 HG22 ILE 86 HG22 ILE 86 1.622 9.248 -2.917 668 HG23 ILE 86 HG23 ILE 86 1.406 10.270 -1.498 669 HD11 ILE 86 HD11 ILE 86 2.211 5.341 -1.405 670 HD12 ILE 86 HD12 ILE 86 1.047 6.662 -1.526 671 HD13 ILE 86 HD13 ILE 86 1.946 6.420 -0.034 672 H GLU 87 HN GLU 87 3.625 11.555 -3.277 673 HA GLU 87 HA GLU 87 3.674 13.555 -1.111 674 HB2 GLU 87 HB2 GLU 87 3.989 13.917 -4.084 675 HB3 GLU 87 HB1 GLU 87 4.050 15.189 -2.875 676 HG2 GLU 87 HG2 GLU 87 6.064 14.162 -1.967 677 HG3 GLU 87 HG1 GLU 87 5.987 12.946 -3.252 678 H THR 88 HN THR 88 1.876 14.784 -0.766 679 HA THR 88 HA THR 88 -0.255 14.593 -2.749 680 HB THR 88 HB THR 88 -1.055 13.377 -0.806 681 HG1 THR 88 HG1 THR 88 -2.888 14.450 -0.406 682 HG21 THR 88 HG21 THR 88 0.447 14.188 0.842 683 HG22 THR 88 HG22 THR 88 -1.215 14.457 1.410 684 HG23 THR 88 HG23 THR 88 -0.256 15.807 0.778 685 H GLY 89 HN GLY 89 -1.450 16.441 -3.110 686 HA2 GLY 89 HA2 GLY 89 -0.905 18.900 -1.839 687 HA3 GLY 89 HA1 GLY 89 -0.044 18.766 -3.372 688 HA PRO 90 HA PRO 90 -4.367 20.395 -4.161 689 HB2 PRO 90 HB2 PRO 90 -3.537 22.180 -6.076 690 HB3 PRO 90 HB1 PRO 90 -3.694 22.552 -4.354 691 HG2 PRO 90 HG2 PRO 90 -1.247 21.790 -5.906 692 HG3 PRO 90 HG1 PRO 90 -1.438 23.061 -4.685 693 HD2 PRO 90 HD2 PRO 90 -0.297 20.735 -4.086 694 HD3 PRO 90 HD1 PRO 90 -1.376 21.542 -2.932 695 H LYS 91 HN LYS 91 -1.937 18.948 -6.139 696 HA LYS 91 HA LYS 91 -3.692 18.687 -8.399 697 HB2 LYS 91 HB2 LYS 91 -0.960 17.638 -7.867 698 HB3 LYS 91 HB1 LYS 91 -1.879 17.271 -9.330 699 HG2 LYS 91 HG2 LYS 91 -2.154 19.607 -9.777 700 HG3 LYS 91 HG1 LYS 91 -1.261 19.984 -8.304 701 HD2 LYS 91 HD2 LYS 91 0.671 18.923 -9.190 702 HD3 LYS 91 HD1 LYS 91 -0.246 18.482 -10.648 703 HE2 LYS 91 HE2 LYS 91 -0.676 20.717 -11.163 704 HE3 LYS 91 HE1 LYS 91 0.008 21.270 -9.653 705 HZ1 LYS 91 HZ1 LYS 91 2.174 20.478 -10.365 706 HZ2 LYS 91 HZ2 LYS 91 1.606 21.634 -11.439 707 HZ3 LYS 91 HZ3 LYS 91 1.569 19.992 -11.859 708 H GLY 92 HN GLY 92 -2.787 16.962 -5.591 709 HA2 GLY 92 HA2 GLY 92 -4.441 15.191 -5.008 710 HA3 GLY 92 HA1 GLY 92 -3.971 14.448 -6.537 711 H VAL 93 HN VAL 93 -3.295 12.646 -5.321 712 HA VAL 93 HA VAL 93 -0.764 13.062 -3.915 713 HB VAL 93 HB VAL 93 -2.741 12.359 -2.493 714 HG11 VAL 93 HG11 VAL 93 -3.378 9.975 -2.502 715 HG12 VAL 93 HG12 VAL 93 -2.587 9.823 -4.079 716 HG13 VAL 93 HG13 VAL 93 -3.945 10.933 -3.858 717 HG21 VAL 93 HG21 VAL 93 -0.565 10.336 -2.554 718 HG22 VAL 93 HG22 VAL 93 -1.575 10.801 -1.173 719 HG23 VAL 93 HG23 VAL 93 -0.403 11.941 -1.863 720 H LYS 94 HN LYS 94 0.958 11.773 -4.617 721 HA LYS 94 HA LYS 94 0.509 9.453 -6.250 722 HB2 LYS 94 HB2 LYS 94 1.375 10.162 -8.320 723 HB3 LYS 94 HB1 LYS 94 0.348 11.495 -7.843 724 HG2 LYS 94 HG2 LYS 94 3.358 11.414 -7.608 725 HG3 LYS 94 HG1 LYS 94 2.447 12.234 -8.866 726 HD2 LYS 94 HD2 LYS 94 1.489 13.740 -7.140 727 HD3 LYS 94 HD1 LYS 94 2.444 12.901 -5.915 728 HE2 LYS 94 HE2 LYS 94 4.471 13.497 -7.042 729 HE3 LYS 94 HE1 LYS 94 3.586 14.301 -8.328 730 HZ1 LYS 94 HZ1 LYS 94 3.640 15.148 -5.467 731 HZ2 LYS 94 HZ2 LYS 94 2.803 15.923 -6.711 732 HZ3 LYS 94 HZ3 LYS 94 4.479 15.846 -6.746 733 H ILE 95 HN ILE 95 2.723 8.585 -7.017 734 HA ILE 95 HA ILE 95 4.416 8.586 -4.673 735 HB ILE 95 HB ILE 95 4.613 6.938 -7.222 736 HG12 ILE 95 HG12 ILE 95 3.417 6.202 -4.538 737 HG13 ILE 95 HG11 ILE 95 2.499 6.549 -6.000 738 HG21 ILE 95 HG21 ILE 95 6.734 7.035 -6.050 739 HG22 ILE 95 HG22 ILE 95 6.024 5.428 -5.905 740 HG23 ILE 95 HG23 ILE 95 5.937 6.562 -4.552 741 HD11 ILE 95 HD11 ILE 95 4.418 4.257 -5.612 742 HD12 ILE 95 HD12 ILE 95 3.501 4.599 -7.080 743 HD13 ILE 95 HD13 ILE 95 2.656 4.160 -5.595 744 H LYS 96 HN LYS 96 6.517 9.257 -4.598 745 HA LYS 96 HA LYS 96 7.625 10.737 -6.870 746 HB2 LYS 96 HB2 LYS 96 7.662 12.045 -4.859 747 HB3 LYS 96 HB1 LYS 96 8.269 10.690 -3.917 748 HG2 LYS 96 HG2 LYS 96 10.412 10.817 -5.022 749 HG3 LYS 96 HG1 LYS 96 9.816 12.070 -6.103 750 HD2 LYS 96 HD2 LYS 96 9.842 12.401 -3.131 751 HD3 LYS 96 HD1 LYS 96 11.258 12.813 -4.123 752 HE2 LYS 96 HE2 LYS 96 8.475 13.970 -4.295 753 HE3 LYS 96 HE1 LYS 96 9.905 14.771 -3.656 754 HZ1 LYS 96 HZ1 LYS 96 9.570 13.911 -6.490 755 HZ2 LYS 96 HZ2 LYS 96 10.891 14.718 -5.846 756 HZ3 LYS 96 HZ3 LYS 96 9.397 15.472 -5.907 757 H GLY 97 HN GLY 97 9.578 10.131 -7.769 758 HA2 GLY 97 HA2 GLY 97 11.458 8.735 -8.046 759 HA3 GLY 97 HA1 GLY 97 10.815 7.667 -6.796 760 H CYS 98 HN CYS 98 9.291 9.046 -9.640 761 HA CYS 98 HA CYS 98 8.518 6.342 -10.449 762 HB2 CYS 98 HB2 CYS 98 6.334 7.314 -10.959 763 HB3 CYS 98 HB1 CYS 98 6.713 7.348 -9.239 764 HG CYS 98 HG CYS 98 5.884 9.703 -9.078 765 HA PRO 99 HA PRO 99 9.327 7.948 -14.627 766 HB2 PRO 99 HB2 PRO 99 6.964 6.321 -15.415 767 HB3 PRO 99 HB1 PRO 99 8.614 6.239 -16.034 768 HG2 PRO 99 HG2 PRO 99 7.635 4.312 -14.459 769 HG3 PRO 99 HG1 PRO 99 9.327 4.833 -14.338 770 HD2 PRO 99 HD2 PRO 99 7.004 5.501 -12.578 771 HD3 PRO 99 HD1 PRO 99 8.690 5.142 -12.143 772 H SER 100 HN SER 100 5.890 7.258 -13.937 773 HA SER 100 HA SER 100 5.159 9.967 -13.588 774 HB2 SER 100 HB2 SER 100 4.127 8.507 -16.042 775 HB3 SER 100 HB1 SER 100 3.504 10.029 -15.404 776 HG SER 100 HG SER 100 6.204 10.024 -15.836 777 H GLU 101 HN GLU 101 3.611 9.840 -12.088 778 HA GLU 101 HA GLU 101 1.829 7.518 -12.124 779 HB2 GLU 101 HB2 GLU 101 3.007 9.001 -9.792 780 HB3 GLU 101 HB1 GLU 101 1.602 7.953 -9.622 781 HG2 GLU 101 HG2 GLU 101 4.313 7.082 -10.606 782 HG3 GLU 101 HG1 GLU 101 3.737 6.899 -8.952 783 HA PRO 102 HA PRO 102 -1.273 10.655 -12.578 784 HB2 PRO 102 HB2 PRO 102 -3.432 9.199 -11.774 785 HB3 PRO 102 HB1 PRO 102 -2.702 9.023 -13.371 786 HG2 PRO 102 HG2 PRO 102 -2.382 7.319 -10.940 787 HG3 PRO 102 HG1 PRO 102 -2.517 6.835 -12.640 788 HD2 PRO 102 HD2 PRO 102 -0.150 6.922 -11.313 789 HD3 PRO 102 HD1 PRO 102 -0.291 7.223 -13.057 790 H TYR 103 HN TYR 103 -2.645 11.960 -11.223 791 HA TYR 103 HA TYR 103 -1.876 11.743 -8.427 792 HB2 TYR 103 HB2 TYR 103 -3.488 13.926 -9.762 793 HB3 TYR 103 HB1 TYR 103 -2.740 13.989 -8.179 794 HD1 TYR 103 HD2 TYR 103 -0.177 14.104 -8.045 795 HD2 TYR 103 HD1 TYR 103 -2.323 14.581 -11.695 796 HE1 TYR 103 HE2 TYR 103 1.764 15.194 -9.057 797 HE2 TYR 103 HE1 TYR 103 -0.378 15.669 -12.702 798 HH TYR 103 HH TYR 103 1.607 16.931 -11.914 799 H PHE 104 HN PHE 104 -3.108 10.254 -7.531 800 HA PHE 104 HA PHE 104 -5.715 9.560 -8.353 801 HB2 PHE 104 HB2 PHE 104 -4.296 8.933 -5.754 802 HB3 PHE 104 HB1 PHE 104 -5.765 8.146 -6.318 803 HD1 PHE 104 HD1 PHE 104 -2.144 8.469 -6.804 804 HD2 PHE 104 HD2 PHE 104 -5.703 6.559 -8.118 805 HE1 PHE 104 HE1 PHE 104 -0.801 6.817 -8.053 806 HE2 PHE 104 HE2 PHE 104 -4.367 4.915 -9.359 807 HZ PHE 104 HZ PHE 104 -1.915 5.046 -9.324 808 H GLY 105 HN GLY 105 -4.886 10.725 -5.160 809 HA2 GLY 105 HA2 GLY 105 -6.067 13.049 -4.775 810 HA3 GLY 105 HA1 GLY 105 -7.496 12.027 -4.922 811 H SER 106 HN SER 106 -7.443 10.053 -3.532 812 HA SER 106 HA SER 106 -6.330 10.710 -0.892 813 HB2 SER 106 HB2 SER 106 -8.604 8.809 -1.578 814 HB3 SER 106 HB1 SER 106 -8.128 9.376 0.026 815 HG SER 106 HG SER 106 -8.833 11.210 -1.966 816 H LEU 107 HN LEU 107 -5.560 8.801 0.387 817 HA LEU 107 HA LEU 107 -3.631 7.394 -1.133 818 HB2 LEU 107 HB2 LEU 107 -4.465 7.096 1.741 819 HB3 LEU 107 HB1 LEU 107 -3.122 6.239 1.023 820 HG LEU 107 HG LEU 107 -3.325 9.242 1.320 821 HD11 LEU 107 HD11 LEU 107 -1.574 8.960 3.002 822 HD12 LEU 107 HD12 LEU 107 -1.685 7.209 2.817 823 HD13 LEU 107 HD13 LEU 107 -3.055 8.114 3.459 824 HD21 LEU 107 HD21 LEU 107 -1.997 8.603 -0.629 825 HD22 LEU 107 HD22 LEU 107 -1.059 7.489 0.364 826 HD23 LEU 107 HD23 LEU 107 -0.961 9.225 0.654 827 H SER 108 HN SER 108 -6.712 6.458 0.241 828 HA SER 108 HA SER 108 -6.400 3.691 -0.094 829 HB2 SER 108 HB2 SER 108 -8.102 4.828 1.368 830 HB3 SER 108 HB1 SER 108 -8.993 5.274 -0.082 831 HG SER 108 HG SER 108 -8.901 2.978 1.306 832 H ALA 109 HN ALA 109 -7.609 6.223 -2.251 833 HA ALA 109 HA ALA 109 -8.464 4.613 -4.395 834 HB1 ALA 109 HB1 ALA 109 -7.244 7.387 -4.481 835 HB2 ALA 109 HB2 ALA 109 -8.964 7.016 -4.309 836 HB3 ALA 109 HB3 ALA 109 -8.116 6.610 -5.799 837 H LEU 110 HN LEU 110 -5.401 6.141 -3.675 838 HA LEU 110 HA LEU 110 -3.878 5.319 -5.836 839 HB2 LEU 110 HB2 LEU 110 -3.127 7.026 -4.308 840 HB3 LEU 110 HB1 LEU 110 -3.181 5.925 -2.960 841 HG LEU 110 HG LEU 110 -1.193 5.447 -5.176 842 HD11 LEU 110 HD11 LEU 110 0.387 6.870 -3.946 843 HD12 LEU 110 HD12 LEU 110 -0.906 7.346 -2.843 844 HD13 LEU 110 HD13 LEU 110 -0.978 7.817 -4.541 845 HD21 LEU 110 HD21 LEU 110 -1.474 3.756 -3.394 846 HD22 LEU 110 HD22 LEU 110 -1.160 4.987 -2.181 847 HD23 LEU 110 HD23 LEU 110 0.116 4.521 -3.308 848 H VAL 111 HN VAL 111 -4.299 3.764 -2.709 849 HA VAL 111 HA VAL 111 -2.718 1.551 -3.226 850 HB VAL 111 HB VAL 111 -4.988 1.927 -1.264 851 HG11 VAL 111 HG11 VAL 111 -2.989 -0.328 -1.412 852 HG12 VAL 111 HG12 VAL 111 -4.727 -0.455 -1.698 853 HG13 VAL 111 HG13 VAL 111 -4.127 -0.047 -0.090 854 HG21 VAL 111 HG21 VAL 111 -3.164 2.144 0.355 855 HG22 VAL 111 HG22 VAL 111 -3.050 3.354 -0.925 856 HG23 VAL 111 HG23 VAL 111 -1.989 1.946 -0.943 857 H SER 112 HN SER 112 -6.244 1.893 -3.525 858 HA SER 112 HA SER 112 -6.720 -0.774 -4.318 859 HB2 SER 112 HB2 SER 112 -8.429 0.755 -3.322 860 HB3 SER 112 HB1 SER 112 -8.432 1.679 -4.819 861 HG SER 112 HG SER 112 -9.575 -0.733 -4.202 862 H GLN 113 HN GLN 113 -5.888 2.127 -6.139 863 HA GLN 113 HA GLN 113 -6.478 0.721 -8.571 864 HB2 GLN 113 HB2 GLN 113 -5.541 3.559 -8.192 865 HB3 GLN 113 HB1 GLN 113 -5.950 2.841 -9.752 866 HG2 GLN 113 HG2 GLN 113 -8.232 2.392 -8.909 867 HG3 GLN 113 HG1 GLN 113 -7.808 3.196 -7.407 868 HE21 GLN 113 HE21 GLN 113 -9.897 3.822 -9.267 869 HE22 GLN 113 HE22 GLN 113 -9.632 5.447 -9.776 870 H HIS 114 HN HIS 114 -3.677 1.283 -6.654 871 HA HIS 114 HA HIS 114 -1.923 0.581 -8.813 872 HB2 HIS 114 HB2 HIS 114 -1.443 0.854 -5.862 873 HB3 HIS 114 HB1 HIS 114 -0.241 0.097 -6.895 874 HD1 HIS 114 HD1 HIS 114 -0.316 2.053 -9.327 875 HD2 HIS 114 HD2 HIS 114 -0.341 3.225 -5.338 876 HE1 HIS 114 HE1 HIS 114 0.672 4.360 -9.266 877 H SER 115 HN SER 115 -4.031 -1.165 -6.910 878 HA SER 115 HA SER 115 -2.787 -3.707 -7.106 879 HB2 SER 115 HB2 SER 115 -5.740 -3.039 -7.142 880 HB3 SER 115 HB1 SER 115 -5.009 -4.573 -6.681 881 HG SER 115 HG SER 115 -3.870 -3.060 -5.050 882 H ILE 116 HN ILE 116 -4.500 -1.570 -9.181 883 HA ILE 116 HA ILE 116 -5.054 -3.505 -11.273 884 HB ILE 116 HB ILE 116 -5.389 -0.501 -11.356 885 HG12 ILE 116 HG12 ILE 116 -7.504 -2.521 -10.577 886 HG13 ILE 116 HG11 ILE 116 -6.623 -1.525 -9.419 887 HG21 ILE 116 HG21 ILE 116 -5.466 -1.615 -13.518 888 HG22 ILE 116 HG22 ILE 116 -7.067 -1.013 -13.084 889 HG23 ILE 116 HG23 ILE 116 -6.695 -2.730 -12.920 890 HD11 ILE 116 HD11 ILE 116 -7.513 0.484 -10.500 891 HD12 ILE 116 HD12 ILE 116 -8.794 -0.560 -9.887 892 HD13 ILE 116 HD13 ILE 116 -8.420 -0.536 -11.614 893 H SER 117 HN SER 117 -3.410 -0.346 -10.960 894 HA SER 117 HA SER 117 -1.575 -1.175 -13.079 895 HB2 SER 117 HB2 SER 117 -2.659 1.583 -12.529 896 HB3 SER 117 HB1 SER 117 -1.547 1.143 -13.827 897 HG SER 117 HG SER 117 -4.095 1.178 -14.032 898 HA PRO 118 HA PRO 118 1.345 0.104 -9.896 899 HB2 PRO 118 HB2 PRO 118 3.004 -2.055 -10.195 900 HB3 PRO 118 HB1 PRO 118 1.616 -2.048 -9.106 901 HG2 PRO 118 HG2 PRO 118 1.978 -3.537 -11.585 902 HG3 PRO 118 HG1 PRO 118 0.702 -3.705 -10.379 903 HD2 PRO 118 HD2 PRO 118 0.651 -2.293 -12.930 904 HD3 PRO 118 HD1 PRO 118 -0.699 -2.719 -11.857 905 H ILE 119 HN ILE 119 2.211 1.819 -11.093 906 HA ILE 119 HA ILE 119 3.610 1.220 -13.539 907 HB ILE 119 HB ILE 119 3.177 3.897 -12.169 908 HG12 ILE 119 HG12 ILE 119 1.691 2.652 -14.498 909 HG13 ILE 119 HG11 ILE 119 1.078 2.729 -12.854 910 HG21 ILE 119 HG21 ILE 119 3.765 4.861 -14.366 911 HG22 ILE 119 HG22 ILE 119 4.085 3.242 -14.985 912 HG23 ILE 119 HG23 ILE 119 5.095 3.910 -13.704 913 HD11 ILE 119 HD11 ILE 119 1.693 5.101 -14.613 914 HD12 ILE 119 HD12 ILE 119 1.039 5.160 -12.972 915 HD13 ILE 119 HD13 ILE 119 0.090 4.444 -14.273 916 H SER 120 HN SER 120 4.464 3.093 -10.626 917 HA SER 120 HA SER 120 7.266 2.660 -11.133 918 HB2 SER 120 HB2 SER 120 5.942 3.826 -8.702 919 HB3 SER 120 HB1 SER 120 7.594 4.102 -9.274 920 HG SER 120 HG SER 120 5.154 4.897 -10.389 921 H LEU 121 HN LEU 121 4.834 1.021 -9.497 922 HA LEU 121 HA LEU 121 6.629 -0.249 -7.597 923 HB2 LEU 121 HB2 LEU 121 3.689 -0.730 -8.075 924 HB3 LEU 121 HB1 LEU 121 4.635 -1.387 -6.764 925 HG LEU 121 HG LEU 121 3.999 1.540 -7.164 926 HD11 LEU 121 HD11 LEU 121 2.064 0.269 -6.483 927 HD12 LEU 121 HD12 LEU 121 2.639 1.276 -5.152 928 HD13 LEU 121 HD13 LEU 121 2.985 -0.456 -5.166 929 HD21 LEU 121 HD21 LEU 121 6.178 1.259 -6.108 930 HD22 LEU 121 HD22 LEU 121 5.483 0.145 -4.933 931 HD23 LEU 121 HD23 LEU 121 4.996 1.839 -4.934 932 HA PRO 122 HA PRO 122 7.505 -3.444 -10.620 933 HB2 PRO 122 HB2 PRO 122 8.707 -5.162 -8.850 934 HB3 PRO 122 HB1 PRO 122 9.529 -3.822 -9.651 935 HG2 PRO 122 HG2 PRO 122 8.408 -4.004 -6.897 936 HG3 PRO 122 HG1 PRO 122 9.894 -3.207 -7.444 937 HD2 PRO 122 HD2 PRO 122 7.651 -1.849 -6.851 938 HD3 PRO 122 HD1 PRO 122 8.762 -1.313 -8.130 939 H CYS 123 HN CYS 123 5.936 -4.004 -7.570 940 HA CYS 123 HA CYS 123 4.684 -6.394 -8.680 941 HB2 CYS 123 HB2 CYS 123 5.095 -5.664 -5.765 942 HB3 CYS 123 HB1 CYS 123 4.364 -7.143 -6.369 943 HG CYS 123 HG CYS 123 7.081 -7.371 -7.841 944 H CYS 124 HN CYS 124 2.435 -6.488 -8.459 945 HA CYS 124 HA CYS 124 1.038 -4.052 -8.427 946 HB2 CYS 124 HB2 CYS 124 -0.970 -5.586 -8.274 947 HB3 CYS 124 HB1 CYS 124 0.119 -5.900 -9.626 948 HG CYS 124 HG CYS 124 0.542 -7.615 -6.746 949 H LEU 125 HN LEU 125 -0.035 -3.007 -6.824 950 HA LEU 125 HA LEU 125 0.846 -3.649 -4.171 951 HB2 LEU 125 HB2 LEU 125 0.680 -1.320 -5.193 952 HB3 LEU 125 HB1 LEU 125 -1.053 -1.466 -4.996 953 HG LEU 125 HG LEU 125 -0.692 -1.722 -2.539 954 HD11 LEU 125 HD11 LEU 125 2.143 -1.008 -3.272 955 HD12 LEU 125 HD12 LEU 125 1.586 -2.537 -2.586 956 HD13 LEU 125 HD13 LEU 125 1.480 -1.057 -1.640 957 HD21 LEU 125 HD21 LEU 125 -0.278 0.630 -2.153 958 HD22 LEU 125 HD22 LEU 125 -1.260 0.409 -3.613 959 HD23 LEU 125 HD23 LEU 125 0.450 0.785 -3.755 960 H ARG 126 HN ARG 126 -0.169 -5.534 -3.760 961 HA ARG 126 HA ARG 126 -3.064 -5.742 -3.909 962 HB2 ARG 126 HB2 ARG 126 -1.449 -7.500 -4.810 963 HB3 ARG 126 HB1 ARG 126 -0.997 -7.827 -3.155 964 HG2 ARG 126 HG2 ARG 126 -3.809 -8.136 -4.200 965 HG3 ARG 126 HG1 ARG 126 -2.605 -9.425 -4.188 966 HD2 ARG 126 HD2 ARG 126 -2.476 -9.359 -1.801 967 HD3 ARG 126 HD1 ARG 126 -3.510 -7.941 -1.735 968 HE ARG 126 HE ARG 126 -5.151 -9.580 -2.911 969 HH11 ARG 126 HH11 ARG 126 -2.959 -10.326 -0.216 970 HH12 ARG 126 HH12 ARG 126 -3.982 -11.431 0.547 971 HH21 ARG 126 HH21 ARG 126 -6.615 -11.099 -1.849 972 HH22 ARG 126 HH22 ARG 126 -6.142 -11.900 -0.429 973 H ILE 127 HN ILE 127 -4.239 -5.391 -2.195 974 HA ILE 127 HA ILE 127 -3.116 -4.705 0.335 975 HB ILE 127 HB ILE 127 -6.036 -5.269 -0.322 976 HG12 ILE 127 HG12 ILE 127 -6.239 -2.709 -0.158 977 HG13 ILE 127 HG11 ILE 127 -4.491 -2.667 -0.308 978 HG21 ILE 127 HG21 ILE 127 -6.562 -4.029 1.722 979 HG22 ILE 127 HG22 ILE 127 -4.838 -3.882 2.062 980 HG23 ILE 127 HG23 ILE 127 -5.597 -5.473 2.047 981 HD11 ILE 127 HD11 ILE 127 -5.630 -2.216 -2.426 982 HD12 ILE 127 HD12 ILE 127 -6.393 -3.806 -2.350 983 HD13 ILE 127 HD13 ILE 127 -4.641 -3.669 -2.511 984 HA PRO 128 HA PRO 128 -2.817 -9.046 1.559 985 HB2 PRO 128 HB2 PRO 128 -1.810 -7.924 4.086 986 HB3 PRO 128 HB1 PRO 128 -1.021 -9.018 2.949 987 HG2 PRO 128 HG2 PRO 128 -0.241 -6.467 3.216 988 HG3 PRO 128 HG1 PRO 128 -0.202 -7.310 1.655 989 HD2 PRO 128 HD2 PRO 128 -2.188 -5.326 2.686 990 HD3 PRO 128 HD1 PRO 128 -1.468 -5.500 1.067 991 H SER 129 HN SER 129 -4.114 -6.449 3.455 992 HA SER 129 HA SER 129 -5.894 -6.193 4.845 993 HB2 SER 129 HB2 SER 129 -7.164 -7.541 3.239 994 HB3 SER 129 HB1 SER 129 -6.643 -9.026 4.026 995 HG SER 129 HG SER 129 -7.653 -7.798 5.965 996 H LYS 130 HN LYS 130 -3.403 -8.091 5.366 997 HA LYS 130 HA LYS 130 -4.107 -8.553 8.172 998 HB2 LYS 130 HB2 LYS 130 -4.021 -10.668 6.740 999 HB3 LYS 130 HB1 LYS 130 -2.322 -10.344 6.478 1000 HG2 LYS 130 HG2 LYS 130 -3.542 -10.829 9.208 1001 HG3 LYS 130 HG1 LYS 130 -2.828 -12.090 8.214 1002 HD2 LYS 130 HD2 LYS 130 -0.668 -11.021 8.338 1003 HD3 LYS 130 HD1 LYS 130 -1.364 -9.625 9.157 1004 HE2 LYS 130 HE2 LYS 130 -2.024 -11.167 11.021 1005 HE3 LYS 130 HE1 LYS 130 -1.101 -12.434 10.210 1006 HZ1 LYS 130 HZ1 LYS 130 0.008 -9.829 11.066 1007 HZ2 LYS 130 HZ2 LYS 130 0.905 -11.103 10.451 1008 HZ3 LYS 130 HZ3 LYS 130 0.161 -11.236 11.966 1009 H ASP 131 HN ASP 131 -2.843 -7.459 9.443 1010 HA ASP 131 HA ASP 131 -0.432 -6.148 8.497 1011 HB2 ASP 131 HB2 ASP 131 -2.042 -4.922 9.950 1012 HB3 ASP 131 HB1 ASP 131 -1.790 -6.112 11.218 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -19.096 3.017 38.889 2 H2 MET 1 HT2 MET 1 -18.479 1.747 39.776 3 H3 MET 1 HT3 MET 1 -19.698 2.721 40.412 4 HA MET 1 HA MET 1 -19.987 0.976 38.053 5 HB2 MET 1 HB2 MET 1 -21.062 0.652 40.867 6 HB3 MET 1 HB1 MET 1 -21.608 -0.292 39.497 7 HG2 MET 1 HG2 MET 1 -18.791 -0.230 40.554 8 HG3 MET 1 HG1 MET 1 -19.985 -1.483 40.887 9 HE1 MET 1 HE1 MET 1 -20.485 -3.140 37.390 10 HE2 MET 1 HE2 MET 1 -21.447 -1.831 38.060 11 HE3 MET 1 HE3 MET 1 -20.927 -3.161 39.099 12 H HIS 2 HN HIS 2 -21.827 2.903 40.471 13 HA HIS 2 HA HIS 2 -24.089 2.995 38.765 14 HB2 HIS 2 HB2 HIS 2 -23.440 4.470 41.316 15 HB3 HIS 2 HB1 HIS 2 -24.960 4.654 40.446 16 HD1 HIS 2 HD1 HIS 2 -23.961 3.057 43.335 17 HD2 HIS 2 HD2 HIS 2 -25.840 1.698 39.894 18 HE1 HIS 2 HE1 HIS 2 -25.188 0.951 43.988 19 H HIS 3 HN HIS 3 -24.391 4.204 37.100 20 HA HIS 3 HA HIS 3 -24.303 5.806 35.560 21 HB2 HIS 3 HB2 HIS 3 -23.379 7.535 37.865 22 HB3 HIS 3 HB1 HIS 3 -23.512 8.168 36.230 23 HD1 HIS 3 HD1 HIS 3 -25.757 9.107 35.626 24 HD2 HIS 3 HD2 HIS 3 -25.936 6.527 38.866 25 HE1 HIS 3 HE1 HIS 3 -28.118 9.235 36.474 26 H HIS 4 HN HIS 4 -22.008 4.058 36.311 27 HA HIS 4 HA HIS 4 -20.311 4.948 34.242 28 HB2 HIS 4 HB2 HIS 4 -19.432 6.380 36.100 29 HB3 HIS 4 HB1 HIS 4 -19.085 4.925 37.024 30 HD1 HIS 4 HD1 HIS 4 -17.850 6.905 34.049 31 HD2 HIS 4 HD2 HIS 4 -16.796 3.544 36.266 32 HE1 HIS 4 HE1 HIS 4 -15.530 6.292 33.331 33 H HIS 5 HN HIS 5 -21.017 2.969 33.499 34 HA HIS 5 HA HIS 5 -19.247 0.834 34.186 35 HB2 HIS 5 HB2 HIS 5 -21.041 0.362 35.794 36 HB3 HIS 5 HB1 HIS 5 -22.247 0.482 34.522 37 HD1 HIS 5 HD1 HIS 5 -19.268 -1.785 35.443 38 HD2 HIS 5 HD2 HIS 5 -22.844 -1.839 33.325 39 HE1 HIS 5 HE1 HIS 5 -19.570 -4.134 34.663 40 H HIS 6 HN HIS 6 -18.631 -0.104 32.363 41 HA HIS 6 HA HIS 6 -20.372 -0.477 30.127 42 HB2 HIS 6 HB2 HIS 6 -18.848 0.748 28.552 43 HB3 HIS 6 HB1 HIS 6 -19.699 1.822 29.655 44 HD1 HIS 6 HD1 HIS 6 -16.223 0.559 28.833 45 HD2 HIS 6 HD2 HIS 6 -18.076 3.222 31.442 46 HE1 HIS 6 HE1 HIS 6 -14.388 1.936 29.851 47 H HIS 7 HN HIS 7 -19.094 -1.654 28.394 48 HA HIS 7 HA HIS 7 -17.347 -3.531 29.656 49 HB2 HIS 7 HB2 HIS 7 -18.140 -3.215 26.752 50 HB3 HIS 7 HB1 HIS 7 -17.114 -4.513 27.343 51 HD1 HIS 7 HD1 HIS 7 -20.295 -4.298 26.177 52 HD2 HIS 7 HD2 HIS 7 -18.807 -5.608 29.822 53 HE1 HIS 7 HE1 HIS 7 -22.031 -5.868 27.109 54 H SER 8 HN SER 8 -15.141 -3.942 28.944 55 HA SER 8 HA SER 8 -13.528 -1.751 29.198 56 HB2 SER 8 HB2 SER 8 -12.762 -4.342 27.873 57 HB3 SER 8 HB1 SER 8 -11.714 -3.244 28.772 58 HG SER 8 HG SER 8 -12.704 -3.809 30.651 59 H SER 9 HN SER 9 -14.597 -3.278 26.191 60 HA SER 9 HA SER 9 -12.879 -1.572 24.617 61 HB2 SER 9 HB2 SER 9 -14.998 -3.515 23.717 62 HB3 SER 9 HB1 SER 9 -13.721 -2.807 22.724 63 HG SER 9 HG SER 9 -12.190 -3.866 24.081 64 H GLY 10 HN GLY 10 -15.962 -1.246 25.981 65 HA2 GLY 10 HA2 GLY 10 -17.565 0.386 25.749 66 HA3 GLY 10 HA1 GLY 10 -16.523 1.167 24.562 67 H LEU 11 HN LEU 11 -16.421 0.109 22.452 68 HA LEU 11 HA LEU 11 -18.372 -1.661 21.478 69 HB2 LEU 11 HB2 LEU 11 -19.896 0.265 21.794 70 HB3 LEU 11 HB1 LEU 11 -18.824 1.261 20.829 71 HG LEU 11 HG LEU 11 -19.286 -0.213 18.876 72 HD11 LEU 11 HD11 LEU 11 -21.363 -1.427 20.681 73 HD12 LEU 11 HD12 LEU 11 -19.936 -2.233 20.025 74 HD13 LEU 11 HD13 LEU 11 -21.225 -1.700 18.946 75 HD21 LEU 11 HD21 LEU 11 -20.474 1.890 19.157 76 HD22 LEU 11 HD22 LEU 11 -21.699 1.078 20.136 77 HD23 LEU 11 HD23 LEU 11 -21.520 0.672 18.430 78 H VAL 12 HN VAL 12 -16.568 1.237 20.625 79 HA VAL 12 HA VAL 12 -15.173 1.830 18.999 80 HB VAL 12 HB VAL 12 -14.419 -1.122 18.785 81 HG11 VAL 12 HG11 VAL 12 -13.638 0.184 16.875 82 HG12 VAL 12 HG12 VAL 12 -12.281 -0.309 17.888 83 HG13 VAL 12 HG13 VAL 12 -12.883 1.347 17.967 84 HG21 VAL 12 HG21 VAL 12 -12.571 -0.589 20.309 85 HG22 VAL 12 HG22 VAL 12 -14.136 -0.304 21.073 86 HG23 VAL 12 HG23 VAL 12 -13.184 1.055 20.473 87 HA PRO 13 HA PRO 13 -18.223 0.701 15.820 88 HB2 PRO 13 HB2 PRO 13 -19.114 3.116 15.277 89 HB3 PRO 13 HB1 PRO 13 -19.527 2.343 16.816 90 HG2 PRO 13 HG2 PRO 13 -17.430 4.397 16.232 91 HG3 PRO 13 HG1 PRO 13 -18.602 4.361 17.561 92 HD2 PRO 13 HD2 PRO 13 -15.995 3.509 17.764 93 HD3 PRO 13 HD1 PRO 13 -17.311 2.917 18.801 94 H ARG 14 HN ARG 14 -15.269 1.190 15.359 95 HA ARG 14 HA ARG 14 -15.535 2.543 12.778 96 HB2 ARG 14 HB2 ARG 14 -12.988 2.046 14.329 97 HB3 ARG 14 HB1 ARG 14 -13.083 2.825 12.761 98 HG2 ARG 14 HG2 ARG 14 -14.093 3.855 15.402 99 HG3 ARG 14 HG1 ARG 14 -12.808 4.504 14.380 100 HD2 ARG 14 HD2 ARG 14 -15.767 4.480 13.793 101 HD3 ARG 14 HD1 ARG 14 -14.765 5.882 14.153 102 HE ARG 14 HE ARG 14 -13.811 4.490 11.855 103 HH11 ARG 14 HH11 ARG 14 -16.351 6.717 12.873 104 HH12 ARG 14 HH12 ARG 14 -16.593 7.355 11.322 105 HH21 ARG 14 HH21 ARG 14 -14.097 5.284 9.837 106 HH22 ARG 14 HH22 ARG 14 -15.224 6.528 9.465 107 H GLY 15 HN GLY 15 -16.522 0.642 11.975 108 HA2 GLY 15 HA2 GLY 15 -14.582 -1.504 11.431 109 HA3 GLY 15 HA1 GLY 15 -16.342 -1.683 11.384 110 H SER 16 HN SER 16 -15.770 1.174 10.130 111 HA SER 16 HA SER 16 -16.019 0.175 7.405 112 HB2 SER 16 HB2 SER 16 -16.934 2.523 7.057 113 HB3 SER 16 HB1 SER 16 -17.876 1.477 8.121 114 HG SER 16 HG SER 16 -16.132 3.586 8.804 115 H ASP 17 HN ASP 17 -13.594 0.793 9.117 116 HA ASP 17 HA ASP 17 -12.280 2.872 7.545 117 HB2 ASP 17 HB2 ASP 17 -11.582 1.527 10.146 118 HB3 ASP 17 HB1 ASP 17 -10.432 2.542 9.292 119 H THR 18 HN THR 18 -11.072 2.339 5.905 120 HA THR 18 HA THR 18 -10.139 -0.402 5.804 121 HB THR 18 HB THR 18 -10.235 0.190 3.215 122 HG1 THR 18 HG1 THR 18 -12.572 1.496 3.977 123 HG21 THR 18 HG21 THR 18 -12.617 -0.591 4.917 124 HG22 THR 18 HG22 THR 18 -11.385 -1.690 4.296 125 HG23 THR 18 HG23 THR 18 -12.472 -0.867 3.181 126 H SER 19 HN SER 19 -8.853 2.441 6.390 127 HA SER 19 HA SER 19 -6.520 1.992 4.670 128 HB2 SER 19 HB2 SER 19 -7.083 4.330 6.515 129 HB3 SER 19 HB1 SER 19 -5.799 4.220 5.309 130 HG SER 19 HG SER 19 -8.152 3.661 4.169 131 H LYS 20 HN LYS 20 -7.638 1.537 7.824 132 HA LYS 20 HA LYS 20 -5.252 1.670 9.277 133 HB2 LYS 20 HB2 LYS 20 -6.515 0.422 11.059 134 HB3 LYS 20 HB1 LYS 20 -7.198 1.939 10.513 135 HG2 LYS 20 HG2 LYS 20 -8.957 0.309 10.901 136 HG3 LYS 20 HG1 LYS 20 -8.863 0.702 9.197 137 HD2 LYS 20 HD2 LYS 20 -7.823 -1.375 8.684 138 HD3 LYS 20 HD1 LYS 20 -7.546 -1.733 10.386 139 HE2 LYS 20 HE2 LYS 20 -10.289 -1.403 9.206 140 HE3 LYS 20 HE1 LYS 20 -9.461 -2.954 9.257 141 HZ1 LYS 20 HZ1 LYS 20 -10.157 -1.290 11.644 142 HZ2 LYS 20 HZ2 LYS 20 -9.342 -2.775 11.648 143 HZ3 LYS 20 HZ3 LYS 20 -10.930 -2.713 11.135 144 H PHE 21 HN PHE 21 -5.695 -0.461 6.970 145 HA PHE 21 HA PHE 21 -4.619 -2.810 8.288 146 HB2 PHE 21 HB2 PHE 21 -4.928 -2.236 5.331 147 HB3 PHE 21 HB1 PHE 21 -4.555 -3.791 6.051 148 HD1 PHE 21 HD1 PHE 21 -6.320 -4.812 7.588 149 HD2 PHE 21 HD2 PHE 21 -7.116 -1.597 4.935 150 HE1 PHE 21 HE1 PHE 21 -8.721 -5.323 7.668 151 HE2 PHE 21 HE2 PHE 21 -9.495 -2.107 5.010 152 HZ PHE 21 HZ PHE 21 -10.314 -3.968 6.383 153 H TRP 22 HN TRP 22 -3.601 -0.191 6.194 154 HA TRP 22 HA TRP 22 -0.847 -1.168 6.346 155 HB2 TRP 22 HB2 TRP 22 -0.629 0.041 4.075 156 HB3 TRP 22 HB1 TRP 22 -1.378 -1.548 4.141 157 HD1 TRP 22 HD1 TRP 22 -3.765 -1.764 3.202 158 HE1 TRP 22 HE1 TRP 22 -5.487 -0.173 2.216 159 HE3 TRP 22 HE3 TRP 22 -1.512 2.689 4.377 160 HZ2 TRP 22 HZ2 TRP 22 -5.858 2.638 1.945 161 HZ3 TRP 22 HZ3 TRP 22 -2.632 4.767 3.722 162 HH2 TRP 22 HH2 TRP 22 -4.753 4.745 2.545 163 H TYR 23 HN TYR 23 -2.823 1.392 7.206 164 HA TYR 23 HA TYR 23 -0.714 3.354 6.832 165 HB2 TYR 23 HB2 TYR 23 -3.133 3.875 6.346 166 HB3 TYR 23 HB1 TYR 23 -3.442 3.744 8.071 167 HD1 TYR 23 HD1 TYR 23 -1.396 5.566 5.587 168 HD2 TYR 23 HD2 TYR 23 -3.174 5.627 9.441 169 HE1 TYR 23 HE1 TYR 23 -0.782 7.907 5.808 170 HE2 TYR 23 HE2 TYR 23 -2.573 7.992 9.691 171 HH TYR 23 HH TYR 23 -0.935 9.594 8.773 172 H LYS 24 HN LYS 24 0.811 3.417 8.308 173 HA LYS 24 HA LYS 24 0.026 3.072 11.125 174 HB2 LYS 24 HB2 LYS 24 2.605 1.961 9.968 175 HB3 LYS 24 HB1 LYS 24 2.175 2.036 11.658 176 HG2 LYS 24 HG2 LYS 24 1.858 -0.192 11.112 177 HG3 LYS 24 HG1 LYS 24 0.232 0.472 11.024 178 HD2 LYS 24 HD2 LYS 24 0.272 0.469 8.647 179 HD3 LYS 24 HD1 LYS 24 2.016 0.210 8.617 180 HE2 LYS 24 HE2 LYS 24 0.877 -1.859 8.052 181 HE3 LYS 24 HE1 LYS 24 1.690 -2.028 9.601 182 HZ1 LYS 24 HZ1 LYS 24 -0.540 -1.525 10.626 183 HZ2 LYS 24 HZ2 LYS 24 -0.428 -2.993 9.838 184 HZ3 LYS 24 HZ3 LYS 24 -1.219 -1.716 9.099 185 HA PRO 25 HA PRO 25 2.238 7.076 10.585 186 HB2 PRO 25 HB2 PRO 25 0.985 8.380 12.599 187 HB3 PRO 25 HB1 PRO 25 0.299 8.183 10.979 188 HG2 PRO 25 HG2 PRO 25 -0.247 6.585 13.458 189 HG3 PRO 25 HG1 PRO 25 -1.401 7.250 12.290 190 HD2 PRO 25 HD2 PRO 25 -0.655 4.669 12.214 191 HD3 PRO 25 HD1 PRO 25 -0.974 5.587 10.728 192 H HIS 26 HN HIS 26 2.389 4.753 13.008 193 HA HIS 26 HA HIS 26 4.118 6.303 14.774 194 HB2 HIS 26 HB2 HIS 26 2.520 4.732 15.806 195 HB3 HIS 26 HB1 HIS 26 3.206 3.408 14.882 196 HD1 HIS 26 HD1 HIS 26 3.491 5.091 18.136 197 HD2 HIS 26 HD2 HIS 26 5.903 2.722 15.725 198 HE1 HIS 26 HE1 HIS 26 5.316 4.206 19.625 199 H LEU 27 HN LEU 27 4.365 4.250 12.054 200 HA LEU 27 HA LEU 27 6.992 3.377 12.827 201 HB2 LEU 27 HB2 LEU 27 5.193 2.562 10.603 202 HB3 LEU 27 HB1 LEU 27 6.909 2.215 10.487 203 HG LEU 27 HG LEU 27 6.676 0.987 12.706 204 HD11 LEU 27 HD11 LEU 27 4.567 1.991 13.412 205 HD12 LEU 27 HD12 LEU 27 4.559 0.219 13.392 206 HD13 LEU 27 HD13 LEU 27 3.782 1.112 12.083 207 HD21 LEU 27 HD21 LEU 27 6.863 -0.206 10.613 208 HD22 LEU 27 HD22 LEU 27 5.122 -0.058 10.362 209 HD23 LEU 27 HD23 LEU 27 5.743 -1.020 11.703 210 H SER 28 HN SER 28 8.817 3.805 11.941 211 HA SER 28 HA SER 28 8.961 5.984 10.001 212 HB2 SER 28 HB2 SER 28 11.005 5.045 12.043 213 HB3 SER 28 HB1 SER 28 11.155 6.439 10.968 214 HG SER 28 HG SER 28 9.111 7.157 12.052 215 H ARG 29 HN ARG 29 11.313 5.658 8.813 216 HA ARG 29 HA ARG 29 11.008 3.660 6.954 217 HB2 ARG 29 HB2 ARG 29 12.501 5.514 6.582 218 HB3 ARG 29 HB1 ARG 29 13.562 4.975 7.873 219 HG2 ARG 29 HG2 ARG 29 14.076 2.948 6.567 220 HG3 ARG 29 HG1 ARG 29 13.068 3.561 5.257 221 HD2 ARG 29 HD2 ARG 29 14.498 5.459 4.969 222 HD3 ARG 29 HD1 ARG 29 15.438 5.032 6.395 223 HE ARG 29 HE ARG 29 15.346 3.326 3.988 224 HH11 ARG 29 HH11 ARG 29 17.199 4.872 6.598 225 HH12 ARG 29 HH12 ARG 29 18.688 4.313 6.022 226 HH21 ARG 29 HH21 ARG 29 17.358 2.571 3.252 227 HH22 ARG 29 HH22 ARG 29 18.801 2.990 4.068 228 H ASP 30 HN ASP 30 13.163 3.491 9.754 229 HA ASP 30 HA ASP 30 14.262 0.930 9.353 230 HB2 ASP 30 HB2 ASP 30 15.176 2.545 10.951 231 HB3 ASP 30 HB1 ASP 30 13.721 2.429 11.925 232 H GLN 31 HN GLN 31 11.449 1.968 11.053 233 HA GLN 31 HA GLN 31 10.710 -0.534 12.208 234 HB2 GLN 31 HB2 GLN 31 9.056 1.952 11.756 235 HB3 GLN 31 HB1 GLN 31 8.625 0.589 12.784 236 HG2 GLN 31 HG2 GLN 31 11.045 2.316 13.192 237 HG3 GLN 31 HG1 GLN 31 9.510 2.533 14.027 238 HE21 GLN 31 HE21 GLN 31 12.179 1.854 15.013 239 HE22 GLN 31 HE22 GLN 31 12.002 0.396 15.902 240 H ALA 32 HN ALA 32 9.916 1.145 9.266 241 HA ALA 32 HA ALA 32 7.701 -0.398 8.488 242 HB1 ALA 32 HB1 ALA 32 9.682 1.123 6.794 243 HB2 ALA 32 HB2 ALA 32 8.197 1.780 7.487 244 HB3 ALA 32 HB3 ALA 32 8.116 0.543 6.229 245 H ILE 33 HN ILE 33 11.150 -0.604 7.877 246 HA ILE 33 HA ILE 33 11.148 -2.826 6.118 247 HB ILE 33 HB ILE 33 13.324 -1.864 8.006 248 HG12 ILE 33 HG12 ILE 33 12.980 -1.250 5.072 249 HG13 ILE 33 HG11 ILE 33 12.402 -0.192 6.356 250 HG21 ILE 33 HG21 ILE 33 14.871 -3.015 6.467 251 HG22 ILE 33 HG22 ILE 33 13.508 -3.600 5.524 252 HG23 ILE 33 HG23 ILE 33 13.732 -4.153 7.182 253 HD11 ILE 33 HD11 ILE 33 14.531 0.534 5.461 254 HD12 ILE 33 HD12 ILE 33 15.259 -1.017 5.938 255 HD13 ILE 33 HD13 ILE 33 14.624 0.094 7.163 256 H ALA 34 HN ALA 34 11.461 -2.436 9.592 257 HA ALA 34 HA ALA 34 11.871 -5.072 10.406 258 HB1 ALA 34 HB1 ALA 34 10.300 -2.921 11.788 259 HB2 ALA 34 HB2 ALA 34 12.055 -3.128 11.897 260 HB3 ALA 34 HB3 ALA 34 10.959 -4.365 12.539 261 H LEU 35 HN LEU 35 9.011 -3.431 9.382 262 HA LEU 35 HA LEU 35 7.209 -5.444 10.369 263 HB2 LEU 35 HB2 LEU 35 6.900 -2.833 9.951 264 HB3 LEU 35 HB1 LEU 35 6.454 -3.368 8.352 265 HG LEU 35 HG LEU 35 4.489 -2.946 9.725 266 HD11 LEU 35 HD11 LEU 35 3.299 -5.053 9.474 267 HD12 LEU 35 HD12 LEU 35 4.835 -5.879 9.196 268 HD13 LEU 35 HD13 LEU 35 4.264 -4.666 8.049 269 HD21 LEU 35 HD21 LEU 35 5.478 -3.350 11.899 270 HD22 LEU 35 HD22 LEU 35 5.576 -5.071 11.570 271 HD23 LEU 35 HD23 LEU 35 3.997 -4.288 11.709 272 H LEU 36 HN LEU 36 8.429 -4.340 7.209 273 HA LEU 36 HA LEU 36 6.969 -6.336 5.812 274 HB2 LEU 36 HB2 LEU 36 9.108 -4.488 4.850 275 HB3 LEU 36 HB1 LEU 36 8.248 -5.610 3.818 276 HG LEU 36 HG LEU 36 7.076 -3.283 5.320 277 HD11 LEU 36 HD11 LEU 36 6.591 -2.464 3.068 278 HD12 LEU 36 HD12 LEU 36 7.495 -3.826 2.402 279 HD13 LEU 36 HD13 LEU 36 8.307 -2.625 3.411 280 HD21 LEU 36 HD21 LEU 36 4.991 -3.825 4.145 281 HD22 LEU 36 HD22 LEU 36 5.442 -5.067 5.307 282 HD23 LEU 36 HD23 LEU 36 5.706 -5.335 3.579 283 H LYS 37 HN LYS 37 10.078 -6.415 7.265 284 HA LYS 37 HA LYS 37 10.975 -8.627 5.694 285 HB2 LYS 37 HB2 LYS 37 12.670 -9.012 7.443 286 HB3 LYS 37 HB1 LYS 37 12.598 -7.317 6.991 287 HG2 LYS 37 HG2 LYS 37 11.341 -6.813 9.012 288 HG3 LYS 37 HG1 LYS 37 11.331 -8.521 9.443 289 HD2 LYS 37 HD2 LYS 37 13.030 -7.290 10.695 290 HD3 LYS 37 HD1 LYS 37 13.766 -8.498 9.645 291 HE2 LYS 37 HE2 LYS 37 14.334 -6.766 8.029 292 HE3 LYS 37 HE1 LYS 37 13.536 -5.545 9.017 293 HZ1 LYS 37 HZ1 LYS 37 15.972 -5.567 9.297 294 HZ2 LYS 37 HZ2 LYS 37 15.894 -7.142 9.905 295 HZ3 LYS 37 HZ3 LYS 37 15.162 -5.885 10.726 296 H ASP 38 HN ASP 38 8.686 -8.229 8.125 297 HA ASP 38 HA ASP 38 8.605 -11.049 8.822 298 HB2 ASP 38 HB2 ASP 38 8.320 -9.354 10.600 299 HB3 ASP 38 HB1 ASP 38 6.925 -8.711 9.751 300 H LYS 39 HN LYS 39 6.882 -8.583 7.077 301 HA LYS 39 HA LYS 39 4.638 -10.222 6.506 302 HB2 LYS 39 HB2 LYS 39 5.397 -7.457 5.762 303 HB3 LYS 39 HB1 LYS 39 4.145 -8.252 4.836 304 HG2 LYS 39 HG2 LYS 39 4.105 -7.952 7.836 305 HG3 LYS 39 HG1 LYS 39 3.316 -6.830 6.723 306 HD2 LYS 39 HD2 LYS 39 2.696 -9.803 6.884 307 HD3 LYS 39 HD1 LYS 39 1.761 -8.544 7.673 308 HE2 LYS 39 HE2 LYS 39 1.099 -7.600 5.575 309 HE3 LYS 39 HE1 LYS 39 2.232 -8.610 4.689 310 HZ1 LYS 39 HZ1 LYS 39 -0.064 -9.344 4.538 311 HZ2 LYS 39 HZ2 LYS 39 -0.097 -9.669 6.203 312 HZ3 LYS 39 HZ3 LYS 39 0.954 -10.519 5.170 313 H ASP 40 HN ASP 40 3.773 -10.219 4.281 314 HA ASP 40 HA ASP 40 5.127 -12.141 2.727 315 HB2 ASP 40 HB2 ASP 40 2.668 -10.492 2.112 316 HB3 ASP 40 HB1 ASP 40 3.139 -11.983 1.319 317 HA PRO 41 HA PRO 41 6.615 -9.351 -0.572 318 HB2 PRO 41 HB2 PRO 41 5.977 -11.259 -2.645 319 HB3 PRO 41 HB1 PRO 41 7.571 -10.843 -2.021 320 HG2 PRO 41 HG2 PRO 41 6.324 -13.276 -1.672 321 HG3 PRO 41 HG1 PRO 41 7.634 -12.648 -0.665 322 HD2 PRO 41 HD2 PRO 41 4.713 -12.781 -0.119 323 HD3 PRO 41 HD1 PRO 41 6.081 -12.876 1.008 324 H GLY 42 HN GLY 42 5.428 -7.793 -1.480 325 HA2 GLY 42 HA2 GLY 42 3.688 -7.032 -2.933 326 HA3 GLY 42 HA1 GLY 42 2.742 -8.450 -2.481 327 H ALA 43 HN ALA 43 4.002 -7.760 0.297 328 HA ALA 43 HA ALA 43 1.707 -6.309 1.235 329 HB1 ALA 43 HB1 ALA 43 2.609 -8.164 2.547 330 HB2 ALA 43 HB2 ALA 43 2.679 -6.649 3.451 331 HB3 ALA 43 HB3 ALA 43 4.139 -7.305 2.709 332 H PHE 44 HN PHE 44 1.954 -4.374 2.539 333 HA PHE 44 HA PHE 44 4.262 -2.740 2.025 334 HB2 PHE 44 HB2 PHE 44 3.050 -1.077 0.727 335 HB3 PHE 44 HB1 PHE 44 3.004 -2.630 -0.094 336 HD1 PHE 44 HD1 PHE 44 0.864 -4.075 0.278 337 HD2 PHE 44 HD2 PHE 44 1.083 0.103 1.071 338 HE1 PHE 44 HE1 PHE 44 -1.581 -3.930 0.151 339 HE2 PHE 44 HE2 PHE 44 -1.363 0.248 0.947 340 HZ PHE 44 HZ PHE 44 -2.695 -1.768 0.495 341 H LEU 45 HN LEU 45 3.843 -0.558 2.920 342 HA LEU 45 HA LEU 45 1.503 -0.153 4.471 343 HB2 LEU 45 HB2 LEU 45 2.489 0.237 6.607 344 HB3 LEU 45 HB1 LEU 45 2.910 -1.385 6.122 345 HG LEU 45 HG LEU 45 4.822 0.942 5.873 346 HD11 LEU 45 HD11 LEU 45 4.528 -1.040 8.124 347 HD12 LEU 45 HD12 LEU 45 4.139 0.680 8.199 348 HD13 LEU 45 HD13 LEU 45 5.804 0.165 7.960 349 HD21 LEU 45 HD21 LEU 45 5.322 -1.050 4.534 350 HD22 LEU 45 HD22 LEU 45 5.248 -2.037 5.993 351 HD23 LEU 45 HD23 LEU 45 6.505 -0.813 5.820 352 H ILE 46 HN ILE 46 1.260 1.971 5.087 353 HA ILE 46 HA ILE 46 3.110 3.835 3.805 354 HB ILE 46 HB ILE 46 0.080 4.081 4.021 355 HG12 ILE 46 HG12 ILE 46 1.824 3.710 1.583 356 HG13 ILE 46 HG11 ILE 46 0.825 2.449 2.298 357 HG21 ILE 46 HG21 ILE 46 1.165 6.246 4.215 358 HG22 ILE 46 HG22 ILE 46 0.372 6.112 2.640 359 HG23 ILE 46 HG23 ILE 46 2.119 5.921 2.767 360 HD11 ILE 46 HD11 ILE 46 -1.174 3.761 1.756 361 HD12 ILE 46 HD12 ILE 46 -0.222 3.399 0.315 362 HD13 ILE 46 HD13 ILE 46 -0.160 5.007 1.033 363 H ARG 47 HN ARG 47 3.833 5.336 5.132 364 HA ARG 47 HA ARG 47 2.378 5.927 7.586 365 HB2 ARG 47 HB2 ARG 47 4.228 5.617 9.024 366 HB3 ARG 47 HB1 ARG 47 4.182 4.172 8.041 367 HG2 ARG 47 HG2 ARG 47 6.008 6.501 7.515 368 HG3 ARG 47 HG1 ARG 47 6.449 5.116 8.505 369 HD2 ARG 47 HD2 ARG 47 6.177 3.658 6.583 370 HD3 ARG 47 HD1 ARG 47 5.676 5.037 5.600 371 HE ARG 47 HE ARG 47 8.027 5.786 6.679 372 HH11 ARG 47 HH11 ARG 47 6.995 3.173 4.570 373 HH12 ARG 47 HH12 ARG 47 8.544 2.926 3.889 374 HH21 ARG 47 HH21 ARG 47 10.103 5.501 5.721 375 HH22 ARG 47 HH22 ARG 47 10.343 4.261 4.553 376 H ASP 48 HN ASP 48 3.603 7.883 8.632 377 HA ASP 48 HA ASP 48 3.781 9.842 6.549 378 HB2 ASP 48 HB2 ASP 48 2.707 10.307 8.749 379 HB3 ASP 48 HB1 ASP 48 4.279 10.129 9.523 380 H SER 49 HN SER 49 5.596 10.855 5.784 381 HA SER 49 HA SER 49 8.074 9.483 6.365 382 HB2 SER 49 HB2 SER 49 7.562 9.888 3.970 383 HB3 SER 49 HB1 SER 49 7.464 11.618 4.273 384 HG SER 49 HG SER 49 9.469 10.682 3.386 385 H HIS 50 HN HIS 50 9.584 10.252 7.594 386 HA HIS 50 HA HIS 50 9.204 12.843 8.850 387 HB2 HIS 50 HB2 HIS 50 11.326 10.733 9.379 388 HB3 HIS 50 HB1 HIS 50 10.997 12.137 10.378 389 HD1 HIS 50 HD1 HIS 50 9.002 11.898 12.105 390 HD2 HIS 50 HD2 HIS 50 9.487 8.632 9.584 391 HE1 HIS 50 HE1 HIS 50 7.587 10.066 13.048 392 H SER 51 HN SER 51 10.793 11.450 6.280 393 HA SER 51 HA SER 51 13.251 12.867 6.258 394 HB2 SER 51 HB2 SER 51 12.847 10.675 5.102 395 HB3 SER 51 HB1 SER 51 11.771 11.498 3.984 396 HG SER 51 HG SER 51 14.335 12.516 4.280 397 H PHE 52 HN PHE 52 10.115 13.262 4.629 398 HA PHE 52 HA PHE 52 10.747 16.078 4.185 399 HB2 PHE 52 HB2 PHE 52 9.376 14.254 2.186 400 HB3 PHE 52 HB1 PHE 52 9.648 15.983 2.000 401 HD1 PHE 52 HD2 PHE 52 12.006 16.805 1.875 402 HD2 PHE 52 HD1 PHE 52 10.967 12.709 1.560 403 HE1 PHE 52 HE2 PHE 52 14.191 16.334 0.824 404 HE2 PHE 52 HE1 PHE 52 13.122 12.215 0.532 405 HZ PHE 52 HZ PHE 52 14.755 14.029 0.150 406 H GLN 53 HN GLN 53 8.980 17.383 4.458 407 HA GLN 53 HA GLN 53 6.830 16.123 5.903 408 HB2 GLN 53 HB2 GLN 53 7.302 19.061 5.359 409 HB3 GLN 53 HB1 GLN 53 6.144 18.388 6.495 410 HG2 GLN 53 HG2 GLN 53 9.128 18.132 6.647 411 HG3 GLN 53 HG1 GLN 53 8.134 19.200 7.642 412 HE21 GLN 53 HE21 GLN 53 6.030 17.212 8.036 413 HE22 GLN 53 HE22 GLN 53 6.665 16.003 9.082 414 H GLY 54 HN GLY 54 4.788 16.005 5.238 415 HA2 GLY 54 HA2 GLY 54 2.933 16.327 3.861 416 HA3 GLY 54 HA1 GLY 54 3.938 17.272 2.764 417 H ALA 55 HN ALA 55 5.107 14.259 3.893 418 HA ALA 55 HA ALA 55 4.352 12.966 1.397 419 HB1 ALA 55 HB1 ALA 55 6.600 13.885 1.072 420 HB2 ALA 55 HB2 ALA 55 6.638 12.120 1.127 421 HB3 ALA 55 HB3 ALA 55 7.154 13.057 2.524 422 H TYR 56 HN TYR 56 4.092 10.823 1.547 423 HA TYR 56 HA TYR 56 4.346 9.601 4.205 424 HB2 TYR 56 HB2 TYR 56 2.376 8.946 1.994 425 HB3 TYR 56 HB1 TYR 56 2.503 8.111 3.537 426 HD1 TYR 56 HD1 TYR 56 1.950 9.324 5.629 427 HD2 TYR 56 HD2 TYR 56 1.177 10.967 1.791 428 HE1 TYR 56 HE1 TYR 56 0.425 10.952 6.640 429 HE2 TYR 56 HE2 TYR 56 -0.352 12.598 2.788 430 HH TYR 56 HH TYR 56 -0.386 13.145 6.089 431 H GLY 57 HN GLY 57 5.478 7.778 4.295 432 HA2 GLY 57 HA2 GLY 57 6.932 7.141 1.862 433 HA3 GLY 57 HA1 GLY 57 7.400 6.607 3.460 434 H LEU 58 HN LEU 58 6.377 5.577 0.640 435 HA LEU 58 HA LEU 58 4.599 3.493 1.594 436 HB2 LEU 58 HB2 LEU 58 3.906 4.735 -0.412 437 HB3 LEU 58 HB1 LEU 58 5.436 4.417 -1.177 438 HG LEU 58 HG LEU 58 3.460 3.154 -2.096 439 HD11 LEU 58 HD11 LEU 58 5.671 2.357 -2.591 440 HD12 LEU 58 HD12 LEU 58 4.578 0.995 -2.338 441 HD13 LEU 58 HD13 LEU 58 5.717 1.459 -1.074 442 HD21 LEU 58 HD21 LEU 58 2.699 1.145 -0.885 443 HD22 LEU 58 HD22 LEU 58 2.269 2.644 -0.077 444 HD23 LEU 58 HD23 LEU 58 3.618 1.674 0.527 445 H ALA 59 HN ALA 59 5.496 1.670 2.166 446 HA ALA 59 HA ALA 59 8.091 0.942 0.999 447 HB1 ALA 59 HB1 ALA 59 8.199 1.255 3.444 448 HB2 ALA 59 HB2 ALA 59 8.441 -0.434 3.001 449 HB3 ALA 59 HB3 ALA 59 6.887 0.090 3.641 450 H LEU 60 HN LEU 60 8.023 -0.746 -0.276 451 HA LEU 60 HA LEU 60 5.711 -2.549 -0.107 452 HB2 LEU 60 HB2 LEU 60 5.532 -0.971 -2.017 453 HB3 LEU 60 HB1 LEU 60 7.082 -1.505 -2.604 454 HG LEU 60 HG LEU 60 5.060 -2.336 -3.872 455 HD11 LEU 60 HD11 LEU 60 7.117 -3.445 -4.222 456 HD12 LEU 60 HD12 LEU 60 5.831 -4.660 -4.065 457 HD13 LEU 60 HD13 LEU 60 6.931 -4.360 -2.730 458 HD21 LEU 60 HD21 LEU 60 4.672 -4.038 -1.424 459 HD22 LEU 60 HD22 LEU 60 3.837 -4.232 -2.964 460 HD23 LEU 60 HD23 LEU 60 3.598 -2.767 -2.012 461 H LYS 61 HN LYS 61 6.249 -4.598 0.134 462 HA LYS 61 HA LYS 61 9.060 -5.372 0.156 463 HB2 LYS 61 HB2 LYS 61 7.015 -5.894 1.811 464 HB3 LYS 61 HB1 LYS 61 6.782 -7.221 0.703 465 HG2 LYS 61 HG2 LYS 61 9.275 -6.695 2.312 466 HG3 LYS 61 HG1 LYS 61 8.017 -7.862 2.697 467 HD2 LYS 61 HD2 LYS 61 8.569 -9.016 0.544 468 HD3 LYS 61 HD1 LYS 61 9.896 -7.853 0.373 469 HE2 LYS 61 HE2 LYS 61 10.689 -9.973 1.335 470 HE3 LYS 61 HE1 LYS 61 10.898 -8.619 2.440 471 HZ1 LYS 61 HZ1 LYS 61 10.037 -10.578 3.577 472 HZ2 LYS 61 HZ2 LYS 61 8.742 -10.666 2.554 473 HZ3 LYS 61 HZ3 LYS 61 8.871 -9.361 3.631 474 H VAL 62 HN VAL 62 9.893 -6.126 -1.781 475 HA VAL 62 HA VAL 62 8.070 -7.461 -3.658 476 HB VAL 62 HB VAL 62 9.830 -7.236 -5.374 477 HG11 VAL 62 HG11 VAL 62 9.789 -4.821 -5.673 478 HG12 VAL 62 HG12 VAL 62 9.173 -4.640 -4.030 479 HG13 VAL 62 HG13 VAL 62 8.212 -5.480 -5.249 480 HG21 VAL 62 HG21 VAL 62 11.391 -5.748 -3.271 481 HG22 VAL 62 HG22 VAL 62 11.820 -5.856 -4.979 482 HG23 VAL 62 HG23 VAL 62 11.807 -7.308 -3.978 483 H ALA 63 HN ALA 63 9.188 -9.266 -4.947 484 HA ALA 63 HA ALA 63 10.077 -11.238 -3.073 485 HB1 ALA 63 HB1 ALA 63 9.973 -11.330 -6.098 486 HB2 ALA 63 HB2 ALA 63 8.696 -11.869 -5.005 487 HB3 ALA 63 HB3 ALA 63 10.248 -12.710 -5.036 488 H THR 64 HN THR 64 11.515 -9.483 -5.796 489 HA THR 64 HA THR 64 14.077 -9.361 -4.507 490 HB THR 64 HB THR 64 15.164 -10.063 -6.739 491 HG1 THR 64 HG1 THR 64 13.358 -10.246 -7.950 492 HG21 THR 64 HG21 THR 64 13.957 -12.218 -4.990 493 HG22 THR 64 HG22 THR 64 15.455 -11.352 -4.682 494 HG23 THR 64 HG23 THR 64 15.338 -12.435 -6.074 495 HA PRO 65 HA PRO 65 13.588 -5.455 -6.721 496 HB2 PRO 65 HB2 PRO 65 16.452 -5.070 -6.029 497 HB3 PRO 65 HB1 PRO 65 15.071 -4.026 -5.680 498 HG2 PRO 65 HG2 PRO 65 16.202 -5.450 -3.740 499 HG3 PRO 65 HG1 PRO 65 14.445 -5.243 -3.809 500 HD2 PRO 65 HD2 PRO 65 16.111 -7.588 -4.668 501 HD3 PRO 65 HD1 PRO 65 14.579 -7.569 -3.727 502 HA PRO 66 HA PRO 66 17.190 -6.464 -9.937 503 HB2 PRO 66 HB2 PRO 66 18.249 -9.007 -9.703 504 HB3 PRO 66 HB1 PRO 66 18.967 -7.582 -8.928 505 HG2 PRO 66 HG2 PRO 66 17.070 -9.516 -7.748 506 HG3 PRO 66 HG1 PRO 66 18.643 -8.978 -7.110 507 HD2 PRO 66 HD2 PRO 66 16.399 -8.056 -6.332 508 HD3 PRO 66 HD1 PRO 66 17.764 -6.903 -6.555 509 HA PRO 67 HA PRO 67 13.842 -8.246 -12.167 510 HB2 PRO 67 HB2 PRO 67 15.113 -8.704 -14.558 511 HB3 PRO 67 HB1 PRO 67 14.505 -7.127 -14.033 512 HG2 PRO 67 HG2 PRO 67 17.278 -8.238 -13.917 513 HG3 PRO 67 HG1 PRO 67 16.740 -6.599 -14.332 514 HD2 PRO 67 HD2 PRO 67 17.759 -7.216 -11.930 515 HD3 PRO 67 HD1 PRO 67 16.472 -5.995 -12.114 516 H SER 68 HN SER 68 16.888 -10.023 -12.232 517 HA SER 68 HA SER 68 15.336 -12.492 -12.550 518 HB2 SER 68 HB2 SER 68 17.427 -13.452 -13.572 519 HB3 SER 68 HB1 SER 68 16.666 -12.184 -14.534 520 HG SER 68 HG SER 68 18.749 -11.657 -14.488 521 H ALA 69 HN ALA 69 18.227 -11.000 -11.187 522 HA ALA 69 HA ALA 69 19.129 -11.042 -9.159 523 HB1 ALA 69 HB1 ALA 69 17.020 -12.965 -8.194 524 HB2 ALA 69 HB2 ALA 69 16.761 -11.241 -8.384 525 HB3 ALA 69 HB3 ALA 69 17.984 -11.805 -7.248 526 H GLN 70 HN GLN 70 19.255 -13.347 -11.236 527 HA GLN 70 HA GLN 70 20.232 -15.471 -9.635 528 HB2 GLN 70 HB2 GLN 70 19.198 -15.984 -11.785 529 HB3 GLN 70 HB1 GLN 70 20.481 -15.155 -12.642 530 HG2 GLN 70 HG2 GLN 70 22.096 -16.762 -11.776 531 HG3 GLN 70 HG1 GLN 70 20.798 -17.598 -10.926 532 HE21 GLN 70 HE21 GLN 70 21.163 -19.475 -12.034 533 HE22 GLN 70 HE22 GLN 70 20.725 -19.693 -13.683 534 HA PRO 71 HA PRO 71 24.587 -14.098 -10.552 535 HB2 PRO 71 HB2 PRO 71 24.950 -11.886 -12.140 536 HB3 PRO 71 HB1 PRO 71 25.199 -13.569 -12.647 537 HG2 PRO 71 HG2 PRO 71 23.222 -11.812 -13.676 538 HG3 PRO 71 HG1 PRO 71 23.240 -13.571 -13.872 539 HD2 PRO 71 HD2 PRO 71 21.740 -11.889 -11.921 540 HD3 PRO 71 HD1 PRO 71 21.250 -13.402 -12.706 541 H TRP 72 HN TRP 72 23.408 -13.340 -8.643 542 HA TRP 72 HA TRP 72 24.565 -10.882 -7.611 543 HB2 TRP 72 HB2 TRP 72 22.592 -10.176 -8.764 544 HB3 TRP 72 HB1 TRP 72 21.644 -11.365 -7.898 545 HD1 TRP 72 HD1 TRP 72 20.949 -10.845 -5.388 546 HE1 TRP 72 HE1 TRP 72 21.132 -8.843 -3.858 547 HE3 TRP 72 HE3 TRP 72 24.030 -7.986 -8.257 548 HZ2 TRP 72 HZ2 TRP 72 22.395 -6.278 -3.868 549 HZ3 TRP 72 HZ3 TRP 72 24.678 -5.750 -7.435 550 HH2 TRP 72 HH2 TRP 72 23.874 -4.916 -5.286 551 H LYS 73 HN LYS 73 24.967 -11.062 -5.573 552 HA LYS 73 HA LYS 73 23.196 -12.205 -3.847 553 HB2 LYS 73 HB2 LYS 73 24.573 -13.865 -2.759 554 HB3 LYS 73 HB1 LYS 73 24.175 -14.261 -4.423 555 HG2 LYS 73 HG2 LYS 73 26.226 -14.770 -4.663 556 HG3 LYS 73 HG1 LYS 73 26.554 -13.027 -4.661 557 HD2 LYS 73 HD2 LYS 73 28.068 -14.037 -3.023 558 HD3 LYS 73 HD1 LYS 73 26.786 -13.114 -2.217 559 HE2 LYS 73 HE2 LYS 73 25.557 -15.213 -1.777 560 HE3 LYS 73 HE1 LYS 73 26.842 -16.110 -2.573 561 HZ1 LYS 73 HZ1 LYS 73 27.173 -14.458 -0.144 562 HZ2 LYS 73 HZ2 LYS 73 28.370 -15.380 -0.882 563 HZ3 LYS 73 HZ3 LYS 73 27.044 -16.141 -0.160 564 H GLY 74 HN GLY 74 23.142 -10.165 -3.337 565 HA2 GLY 74 HA2 GLY 74 24.895 -9.537 -1.120 566 HA3 GLY 74 HA1 GLY 74 25.002 -8.400 -2.460 567 H ASP 75 HN ASP 75 22.210 -10.098 -1.151 568 HA ASP 75 HA ASP 75 21.082 -7.531 -0.316 569 HB2 ASP 75 HB2 ASP 75 18.937 -7.994 -1.374 570 HB3 ASP 75 HB1 ASP 75 20.193 -8.020 -2.599 571 HA PRO 76 HA PRO 76 19.485 -10.323 2.823 572 HB2 PRO 76 HB2 PRO 76 18.926 -8.187 4.563 573 HB3 PRO 76 HB1 PRO 76 20.374 -9.194 4.606 574 HG2 PRO 76 HG2 PRO 76 20.235 -6.442 3.949 575 HG3 PRO 76 HG1 PRO 76 21.637 -7.504 3.775 576 HD2 PRO 76 HD2 PRO 76 19.691 -6.584 1.744 577 HD3 PRO 76 HD1 PRO 76 21.399 -7.056 1.560 578 H VAL 77 HN VAL 77 17.324 -10.115 4.115 579 HA VAL 77 HA VAL 77 15.174 -9.763 2.365 580 HB VAL 77 HB VAL 77 15.087 -11.204 4.365 581 HG11 VAL 77 HG11 VAL 77 16.215 -9.831 5.977 582 HG12 VAL 77 HG12 VAL 77 14.621 -10.271 6.588 583 HG13 VAL 77 HG13 VAL 77 14.905 -8.652 5.941 584 HG21 VAL 77 HG21 VAL 77 12.765 -10.685 5.084 585 HG22 VAL 77 HG22 VAL 77 12.982 -10.623 3.332 586 HG23 VAL 77 HG23 VAL 77 12.900 -9.127 4.259 587 H GLU 78 HN GLU 78 16.748 -7.457 4.357 588 HA GLU 78 HA GLU 78 14.733 -5.484 4.508 589 HB2 GLU 78 HB2 GLU 78 17.724 -5.208 4.660 590 HB3 GLU 78 HB1 GLU 78 16.549 -4.028 5.236 591 HG2 GLU 78 HG2 GLU 78 15.719 -5.643 6.843 592 HG3 GLU 78 HG1 GLU 78 16.913 -6.825 6.297 593 H GLN 79 HN GLN 79 17.031 -6.391 2.059 594 HA GLN 79 HA GLN 79 16.843 -3.895 0.619 595 HB2 GLN 79 HB2 GLN 79 18.901 -5.222 0.614 596 HB3 GLN 79 HB1 GLN 79 18.050 -6.541 -0.186 597 HG2 GLN 79 HG2 GLN 79 19.411 -5.288 -1.726 598 HG3 GLN 79 HG1 GLN 79 17.709 -5.099 -2.143 599 HE21 GLN 79 HE21 GLN 79 19.280 -3.376 0.491 600 HE22 GLN 79 HE22 GLN 79 19.216 -1.829 -0.251 601 H LEU 80 HN LEU 80 15.057 -6.768 0.903 602 HA LEU 80 HA LEU 80 13.898 -6.752 -1.718 603 HB2 LEU 80 HB2 LEU 80 12.855 -8.026 0.815 604 HB3 LEU 80 HB1 LEU 80 12.286 -8.357 -0.805 605 HG LEU 80 HG LEU 80 14.992 -9.066 0.329 606 HD11 LEU 80 HD11 LEU 80 12.675 -10.777 -0.524 607 HD12 LEU 80 HD12 LEU 80 13.195 -10.474 1.132 608 HD13 LEU 80 HD13 LEU 80 14.246 -11.360 0.027 609 HD21 LEU 80 HD21 LEU 80 15.219 -8.469 -2.004 610 HD22 LEU 80 HD22 LEU 80 13.874 -9.536 -2.424 611 HD23 LEU 80 HD23 LEU 80 15.377 -10.210 -1.795 612 H VAL 81 HN VAL 81 13.525 -4.884 1.010 613 HA VAL 81 HA VAL 81 10.802 -4.099 0.409 614 HB VAL 81 HB VAL 81 12.745 -3.024 2.476 615 HG11 VAL 81 HG11 VAL 81 9.801 -2.515 2.084 616 HG12 VAL 81 HG12 VAL 81 11.098 -1.339 1.891 617 HG13 VAL 81 HG13 VAL 81 10.730 -1.994 3.491 618 HG21 VAL 81 HG21 VAL 81 10.427 -4.937 2.726 619 HG22 VAL 81 HG22 VAL 81 11.357 -4.292 4.083 620 HG23 VAL 81 HG23 VAL 81 12.131 -5.342 2.892 621 H ARG 82 HN ARG 82 10.305 -2.510 -0.909 622 HA ARG 82 HA ARG 82 12.428 -0.736 -1.902 623 HB2 ARG 82 HB2 ARG 82 9.728 -1.387 -3.108 624 HB3 ARG 82 HB1 ARG 82 10.952 -0.356 -3.825 625 HG2 ARG 82 HG2 ARG 82 11.283 -3.309 -3.288 626 HG3 ARG 82 HG1 ARG 82 10.827 -2.611 -4.839 627 HD2 ARG 82 HD2 ARG 82 13.173 -3.125 -4.884 628 HD3 ARG 82 HD1 ARG 82 12.986 -1.376 -4.842 629 HE ARG 82 HE ARG 82 13.324 -2.448 -2.231 630 HH11 ARG 82 HH11 ARG 82 15.170 -1.617 -5.120 631 HH12 ARG 82 HH12 ARG 82 16.615 -1.329 -4.274 632 HH21 ARG 82 HH21 ARG 82 15.251 -2.038 -1.072 633 HH22 ARG 82 HH22 ARG 82 16.676 -1.624 -1.898 634 H HIS 83 HN HIS 83 12.097 1.479 -1.890 635 HA HIS 83 HA HIS 83 9.806 2.363 -0.317 636 HB2 HIS 83 HB2 HIS 83 12.677 3.092 -0.098 637 HB3 HIS 83 HB1 HIS 83 11.466 4.321 0.248 638 HD1 HIS 83 HD1 HIS 83 13.078 1.310 1.708 639 HD2 HIS 83 HD2 HIS 83 9.800 3.747 2.419 640 HE1 HIS 83 HE1 HIS 83 12.366 0.848 4.084 641 H PHE 84 HN PHE 84 8.621 3.891 -1.014 642 HA PHE 84 HA PHE 84 9.529 5.757 -3.062 643 HB2 PHE 84 HB2 PHE 84 6.887 4.231 -3.099 644 HB3 PHE 84 HB1 PHE 84 7.291 5.565 -4.166 645 HD1 PHE 84 HD1 PHE 84 8.926 5.257 -5.968 646 HD2 PHE 84 HD2 PHE 84 7.737 2.011 -3.481 647 HE1 PHE 84 HE1 PHE 84 9.859 3.669 -7.597 648 HE2 PHE 84 HE2 PHE 84 8.672 0.421 -5.098 649 HZ PHE 84 HZ PHE 84 9.736 1.246 -7.162 650 H LEU 85 HN LEU 85 7.872 7.667 -2.999 651 HA LEU 85 HA LEU 85 6.494 7.665 -0.472 652 HB2 LEU 85 HB2 LEU 85 7.171 10.010 0.052 653 HB3 LEU 85 HB1 LEU 85 8.406 8.800 0.274 654 HG LEU 85 HG LEU 85 8.374 10.454 -2.240 655 HD11 LEU 85 HD11 LEU 85 8.218 12.014 -0.340 656 HD12 LEU 85 HD12 LEU 85 9.828 12.050 -1.064 657 HD13 LEU 85 HD13 LEU 85 9.554 11.174 0.447 658 HD21 LEU 85 HD21 LEU 85 10.504 9.212 -0.538 659 HD22 LEU 85 HD22 LEU 85 10.769 10.035 -2.085 660 HD23 LEU 85 HD23 LEU 85 9.871 8.507 -2.026 661 H ILE 86 HN ILE 86 4.758 8.712 -0.323 662 HA ILE 86 HA ILE 86 3.503 9.678 -2.774 663 HB ILE 86 HB ILE 86 2.378 8.982 -0.055 664 HG12 ILE 86 HG12 ILE 86 2.054 7.455 -2.621 665 HG13 ILE 86 HG11 ILE 86 3.326 7.070 -1.456 666 HG21 ILE 86 HG21 ILE 86 1.046 10.654 -1.173 667 HG22 ILE 86 HG22 ILE 86 0.178 9.116 -1.175 668 HG23 ILE 86 HG23 ILE 86 0.987 9.683 -2.643 669 HD11 ILE 86 HD11 ILE 86 1.424 5.591 -1.239 670 HD12 ILE 86 HD12 ILE 86 0.350 6.971 -0.993 671 HD13 ILE 86 HD13 ILE 86 1.597 6.590 0.201 672 H GLU 87 HN GLU 87 3.615 11.806 -2.972 673 HA GLU 87 HA GLU 87 3.870 13.433 -0.551 674 HB2 GLU 87 HB2 GLU 87 4.190 14.235 -3.427 675 HB3 GLU 87 HB1 GLU 87 4.550 15.219 -2.018 676 HG2 GLU 87 HG2 GLU 87 6.324 13.671 -1.410 677 HG3 GLU 87 HG1 GLU 87 5.965 12.707 -2.843 678 H THR 88 HN THR 88 2.324 14.824 -0.025 679 HA THR 88 HA THR 88 0.018 14.887 -1.791 680 HB THR 88 HB THR 88 -0.560 13.709 0.206 681 HG1 THR 88 HG1 THR 88 -2.384 14.734 0.450 682 HG21 THR 88 HG21 THR 88 0.498 16.063 1.745 683 HG22 THR 88 HG22 THR 88 1.121 14.395 1.680 684 HG23 THR 88 HG23 THR 88 -0.444 14.721 2.428 685 H GLY 89 HN GLY 89 -0.933 16.779 -2.162 686 HA2 GLY 89 HA2 GLY 89 0.029 19.196 -0.929 687 HA3 GLY 89 HA1 GLY 89 0.444 19.015 -2.634 688 HA PRO 90 HA PRO 90 -3.753 20.840 -2.439 689 HB2 PRO 90 HB2 PRO 90 -3.389 22.693 -4.402 690 HB3 PRO 90 HB1 PRO 90 -2.957 22.973 -2.716 691 HG2 PRO 90 HG2 PRO 90 -1.206 22.261 -5.021 692 HG3 PRO 90 HG1 PRO 90 -0.896 23.357 -3.667 693 HD2 PRO 90 HD2 PRO 90 0.084 20.803 -3.834 694 HD3 PRO 90 HD1 PRO 90 -0.177 21.667 -2.307 695 H LYS 91 HN LYS 91 -1.906 19.329 -4.926 696 HA LYS 91 HA LYS 91 -4.105 19.204 -6.759 697 HB2 LYS 91 HB2 LYS 91 -1.391 17.863 -6.837 698 HB3 LYS 91 HB1 LYS 91 -2.615 17.616 -8.069 699 HG2 LYS 91 HG2 LYS 91 -1.177 19.248 -8.957 700 HG3 LYS 91 HG1 LYS 91 -2.595 20.123 -8.363 701 HD2 LYS 91 HD2 LYS 91 -1.327 20.593 -6.273 702 HD3 LYS 91 HD1 LYS 91 0.102 19.915 -7.054 703 HE2 LYS 91 HE2 LYS 91 -1.536 22.222 -8.026 704 HE3 LYS 91 HE1 LYS 91 0.025 22.368 -7.219 705 HZ1 LYS 91 HZ1 LYS 91 -0.503 21.147 -9.894 706 HZ2 LYS 91 HZ2 LYS 91 0.992 21.096 -9.127 707 HZ3 LYS 91 HZ3 LYS 91 0.335 22.568 -9.585 708 H GLY 92 HN GLY 92 -2.709 17.294 -4.243 709 HA2 GLY 92 HA2 GLY 92 -4.520 15.747 -3.318 710 HA3 GLY 92 HA1 GLY 92 -4.324 14.956 -4.885 711 H VAL 93 HN VAL 93 -3.470 13.069 -4.066 712 HA VAL 93 HA VAL 93 -0.819 13.327 -2.819 713 HB VAL 93 HB VAL 93 -1.129 11.162 -1.762 714 HG11 VAL 93 HG11 VAL 93 -2.953 11.550 -0.227 715 HG12 VAL 93 HG12 VAL 93 -3.656 12.719 -1.333 716 HG13 VAL 93 HG13 VAL 93 -2.119 13.069 -0.565 717 HG21 VAL 93 HG21 VAL 93 -3.795 10.973 -3.181 718 HG22 VAL 93 HG22 VAL 93 -3.215 9.842 -1.961 719 HG23 VAL 93 HG23 VAL 93 -2.367 9.987 -3.502 720 H LYS 94 HN LYS 94 0.898 12.176 -3.871 721 HA LYS 94 HA LYS 94 0.206 10.312 -5.941 722 HB2 LYS 94 HB2 LYS 94 0.726 11.532 -7.848 723 HB3 LYS 94 HB1 LYS 94 0.059 12.752 -6.833 724 HG2 LYS 94 HG2 LYS 94 3.003 12.337 -7.287 725 HG3 LYS 94 HG1 LYS 94 2.003 13.538 -8.080 726 HD2 LYS 94 HD2 LYS 94 1.540 14.464 -5.745 727 HD3 LYS 94 HD1 LYS 94 2.848 13.410 -5.190 728 HE2 LYS 94 HE2 LYS 94 4.228 14.426 -7.062 729 HE3 LYS 94 HE1 LYS 94 2.983 15.639 -7.192 730 HZ1 LYS 94 HZ1 LYS 94 4.808 15.180 -4.900 731 HZ2 LYS 94 HZ2 LYS 94 3.402 16.110 -4.743 732 HZ3 LYS 94 HZ3 LYS 94 4.604 16.559 -5.828 733 H ILE 95 HN ILE 95 2.066 9.060 -6.755 734 HA ILE 95 HA ILE 95 4.038 8.896 -4.670 735 HB ILE 95 HB ILE 95 3.484 7.109 -7.058 736 HG12 ILE 95 HG12 ILE 95 2.947 6.660 -4.130 737 HG13 ILE 95 HG11 ILE 95 1.718 7.176 -5.291 738 HG21 ILE 95 HG21 ILE 95 4.962 5.468 -5.968 739 HG22 ILE 95 HG22 ILE 95 5.360 6.661 -4.727 740 HG23 ILE 95 HG23 ILE 95 5.830 6.942 -6.403 741 HD11 ILE 95 HD11 ILE 95 1.563 4.800 -4.805 742 HD12 ILE 95 HD12 ILE 95 3.242 4.575 -5.294 743 HD13 ILE 95 HD13 ILE 95 2.033 5.052 -6.487 744 H LYS 96 HN LYS 96 6.048 9.447 -4.827 745 HA LYS 96 HA LYS 96 7.096 10.519 -7.316 746 HB2 LYS 96 HB2 LYS 96 7.480 11.902 -5.387 747 HB3 LYS 96 HB1 LYS 96 8.080 10.542 -4.461 748 HG2 LYS 96 HG2 LYS 96 10.085 10.438 -5.784 749 HG3 LYS 96 HG1 LYS 96 9.464 11.665 -6.887 750 HD2 LYS 96 HD2 LYS 96 9.812 12.199 -3.955 751 HD3 LYS 96 HD1 LYS 96 11.138 12.412 -5.105 752 HE2 LYS 96 HE2 LYS 96 9.797 14.016 -6.360 753 HE3 LYS 96 HE1 LYS 96 8.436 13.746 -5.279 754 HZ1 LYS 96 HZ1 LYS 96 9.505 14.800 -3.541 755 HZ2 LYS 96 HZ2 LYS 96 9.859 15.772 -4.881 756 HZ3 LYS 96 HZ3 LYS 96 11.030 14.734 -4.268 757 H GLY 97 HN GLY 97 8.384 9.359 -8.567 758 HA2 GLY 97 HA2 GLY 97 10.187 7.762 -8.815 759 HA3 GLY 97 HA1 GLY 97 9.460 6.835 -7.502 760 H CYS 98 HN CYS 98 7.964 8.403 -10.276 761 HA CYS 98 HA CYS 98 6.926 5.814 -11.098 762 HB2 CYS 98 HB2 CYS 98 4.771 7.033 -11.573 763 HB3 CYS 98 HB1 CYS 98 5.169 6.903 -9.867 764 HG CYS 98 HG CYS 98 4.807 9.273 -9.387 765 HA PRO 99 HA PRO 99 8.290 7.271 -15.145 766 HB2 PRO 99 HB2 PRO 99 6.130 5.558 -16.220 767 HB3 PRO 99 HB1 PRO 99 7.866 5.490 -16.543 768 HG2 PRO 99 HG2 PRO 99 6.725 3.621 -15.043 769 HG3 PRO 99 HG1 PRO 99 8.310 4.282 -14.600 770 HD2 PRO 99 HD2 PRO 99 5.610 4.944 -13.480 771 HD3 PRO 99 HD1 PRO 99 7.142 4.621 -12.633 772 H SER 100 HN SER 100 4.935 7.251 -14.223 773 HA SER 100 HA SER 100 4.573 9.837 -15.371 774 HB2 SER 100 HB2 SER 100 4.000 8.360 -17.313 775 HB3 SER 100 HB1 SER 100 2.787 7.563 -16.315 776 HG SER 100 HG SER 100 2.774 10.034 -17.538 777 H GLU 101 HN GLU 101 1.913 7.636 -14.755 778 HA GLU 101 HA GLU 101 0.506 7.256 -13.120 779 HB2 GLU 101 HB2 GLU 101 2.611 6.813 -11.857 780 HB3 GLU 101 HB1 GLU 101 2.531 8.452 -11.243 781 HG2 GLU 101 HG2 GLU 101 0.334 7.893 -10.243 782 HG3 GLU 101 HG1 GLU 101 0.578 6.229 -10.779 783 HA PRO 102 HA PRO 102 -1.666 11.140 -12.799 784 HB2 PRO 102 HB2 PRO 102 -3.982 10.200 -11.849 785 HB3 PRO 102 HB1 PRO 102 -3.470 9.873 -13.510 786 HG2 PRO 102 HG2 PRO 102 -3.294 8.115 -11.093 787 HG3 PRO 102 HG1 PRO 102 -3.818 7.702 -12.736 788 HD2 PRO 102 HD2 PRO 102 -1.322 7.182 -11.785 789 HD3 PRO 102 HD1 PRO 102 -1.671 7.486 -13.500 790 H TYR 103 HN TYR 103 -2.910 12.337 -11.113 791 HA TYR 103 HA TYR 103 -1.727 11.963 -8.465 792 HB2 TYR 103 HB2 TYR 103 -3.466 14.214 -9.544 793 HB3 TYR 103 HB1 TYR 103 -2.760 14.173 -7.938 794 HD1 TYR 103 HD1 TYR 103 -1.934 14.345 -11.551 795 HD2 TYR 103 HD2 TYR 103 -0.517 14.987 -7.570 796 HE1 TYR 103 HE1 TYR 103 0.036 15.520 -12.423 797 HE2 TYR 103 HE2 TYR 103 1.424 16.153 -8.453 798 HH TYR 103 HH TYR 103 1.625 17.203 -11.623 799 H PHE 104 HN PHE 104 -2.909 11.241 -6.765 800 HA PHE 104 HA PHE 104 -5.656 10.378 -7.341 801 HB2 PHE 104 HB2 PHE 104 -3.817 9.488 -5.097 802 HB3 PHE 104 HB1 PHE 104 -5.344 8.771 -5.559 803 HD1 PHE 104 HD2 PHE 104 -1.801 9.098 -6.427 804 HD2 PHE 104 HD1 PHE 104 -5.512 7.300 -7.472 805 HE1 PHE 104 HE2 PHE 104 -0.617 7.534 -7.910 806 HE2 PHE 104 HE1 PHE 104 -4.331 5.729 -8.952 807 HZ PHE 104 HZ PHE 104 -1.884 5.847 -9.175 808 H GLY 105 HN GLY 105 -7.059 10.411 -5.292 809 HA2 GLY 105 HA2 GLY 105 -6.661 12.988 -3.960 810 HA3 GLY 105 HA1 GLY 105 -8.173 12.088 -4.035 811 H SER 106 HN SER 106 -7.590 9.677 -3.217 812 HA SER 106 HA SER 106 -6.563 10.077 -0.501 813 HB2 SER 106 HB2 SER 106 -8.563 8.049 -1.528 814 HB3 SER 106 HB1 SER 106 -8.077 8.271 0.154 815 HG SER 106 HG SER 106 -9.031 10.215 0.199 816 H LEU 107 HN LEU 107 -5.348 8.294 0.400 817 HA LEU 107 HA LEU 107 -3.363 7.252 -1.325 818 HB2 LEU 107 HB2 LEU 107 -4.111 6.306 1.445 819 HB3 LEU 107 HB1 LEU 107 -2.588 6.031 0.634 820 HG LEU 107 HG LEU 107 -3.604 8.732 1.529 821 HD11 LEU 107 HD11 LEU 107 -1.528 6.919 2.744 822 HD12 LEU 107 HD12 LEU 107 -3.104 7.312 3.430 823 HD13 LEU 107 HD13 LEU 107 -1.880 8.567 3.257 824 HD21 LEU 107 HD21 LEU 107 -1.332 9.481 1.061 825 HD22 LEU 107 HD22 LEU 107 -2.099 8.841 -0.396 826 HD23 LEU 107 HD23 LEU 107 -0.920 7.866 0.486 827 H SER 108 HN SER 108 -6.278 5.973 0.106 828 HA SER 108 HA SER 108 -6.147 3.297 -0.372 829 HB2 SER 108 HB2 SER 108 -8.602 4.998 -0.700 830 HB3 SER 108 HB1 SER 108 -8.486 3.350 -0.071 831 HG SER 108 HG SER 108 -8.297 4.246 1.778 832 H ALA 109 HN ALA 109 -6.732 5.888 -2.679 833 HA ALA 109 HA ALA 109 -8.006 4.380 -4.707 834 HB1 ALA 109 HB1 ALA 109 -6.425 6.936 -4.936 835 HB2 ALA 109 HB2 ALA 109 -8.153 6.818 -4.601 836 HB3 ALA 109 HB3 ALA 109 -7.513 6.287 -6.159 837 H LEU 110 HN LEU 110 -4.625 5.218 -4.091 838 HA LEU 110 HA LEU 110 -3.790 3.878 -6.473 839 HB2 LEU 110 HB2 LEU 110 -1.463 4.330 -5.679 840 HB3 LEU 110 HB1 LEU 110 -2.453 5.752 -5.841 841 HG LEU 110 HG LEU 110 -2.775 5.526 -3.268 842 HD11 LEU 110 HD11 LEU 110 -0.257 3.910 -3.582 843 HD12 LEU 110 HD12 LEU 110 -1.810 3.349 -2.955 844 HD13 LEU 110 HD13 LEU 110 -0.896 4.562 -2.070 845 HD21 LEU 110 HD21 LEU 110 -1.616 7.362 -4.336 846 HD22 LEU 110 HD22 LEU 110 -0.148 6.388 -4.456 847 HD23 LEU 110 HD23 LEU 110 -0.768 6.858 -2.876 848 H VAL 111 HN VAL 111 -4.175 3.114 -3.160 849 HA VAL 111 HA VAL 111 -2.695 0.769 -2.961 850 HB VAL 111 HB VAL 111 -5.221 1.638 -1.554 851 HG11 VAL 111 HG11 VAL 111 -4.722 -0.135 0.114 852 HG12 VAL 111 HG12 VAL 111 -3.508 -0.778 -1.012 853 HG13 VAL 111 HG13 VAL 111 -5.211 -0.745 -1.468 854 HG21 VAL 111 HG21 VAL 111 -2.336 1.530 -0.706 855 HG22 VAL 111 HG22 VAL 111 -3.693 2.024 0.314 856 HG23 VAL 111 HG23 VAL 111 -3.268 2.974 -1.113 857 H SER 112 HN SER 112 -6.139 1.135 -3.682 858 HA SER 112 HA SER 112 -6.498 -1.607 -4.191 859 HB2 SER 112 HB2 SER 112 -8.205 0.763 -4.897 860 HB3 SER 112 HB1 SER 112 -8.744 -0.930 -4.801 861 HG SER 112 HG SER 112 -7.946 -0.794 -2.557 862 H GLN 113 HN GLN 113 -5.474 1.065 -6.196 863 HA GLN 113 HA GLN 113 -6.254 -0.283 -8.623 864 HB2 GLN 113 HB2 GLN 113 -6.373 2.189 -8.447 865 HB3 GLN 113 HB1 GLN 113 -4.617 2.235 -8.358 866 HG2 GLN 113 HG2 GLN 113 -4.461 1.237 -10.570 867 HG3 GLN 113 HG1 GLN 113 -6.217 1.148 -10.664 868 HE21 GLN 113 HE21 GLN 113 -6.384 2.437 -12.429 869 HE22 GLN 113 HE22 GLN 113 -6.044 4.126 -12.417 870 H HIS 114 HN HIS 114 -3.234 0.262 -6.835 871 HA HIS 114 HA HIS 114 -1.649 -0.701 -8.990 872 HB2 HIS 114 HB2 HIS 114 -0.896 -0.220 -6.115 873 HB3 HIS 114 HB1 HIS 114 0.245 -0.775 -7.334 874 HD1 HIS 114 HD1 HIS 114 -0.949 1.211 -9.625 875 HD2 HIS 114 HD2 HIS 114 0.268 2.232 -5.780 876 HE1 HIS 114 HE1 HIS 114 -0.368 3.670 -9.686 877 H SER 115 HN SER 115 -3.604 -2.383 -6.936 878 HA SER 115 HA SER 115 -2.151 -4.819 -6.873 879 HB2 SER 115 HB2 SER 115 -5.143 -4.385 -6.872 880 HB3 SER 115 HB1 SER 115 -4.253 -5.767 -6.218 881 HG SER 115 HG SER 115 -3.431 -4.499 -4.634 882 H ILE 116 HN ILE 116 -4.190 -3.135 -9.114 883 HA ILE 116 HA ILE 116 -4.433 -5.381 -10.964 884 HB ILE 116 HB ILE 116 -5.572 -2.571 -11.135 885 HG12 ILE 116 HG12 ILE 116 -6.951 -5.111 -10.224 886 HG13 ILE 116 HG11 ILE 116 -6.385 -3.844 -9.148 887 HG21 ILE 116 HG21 ILE 116 -6.271 -5.089 -12.653 888 HG22 ILE 116 HG22 ILE 116 -5.419 -3.685 -13.301 889 HG23 ILE 116 HG23 ILE 116 -7.104 -3.540 -12.800 890 HD11 ILE 116 HD11 ILE 116 -7.945 -2.276 -10.204 891 HD12 ILE 116 HD12 ILE 116 -8.770 -3.679 -9.521 892 HD13 ILE 116 HD13 ILE 116 -8.509 -3.570 -11.261 893 H SER 117 HN SER 117 -3.355 -2.000 -10.852 894 HA SER 117 HA SER 117 -1.427 -2.599 -12.950 895 HB2 SER 117 HB2 SER 117 -3.181 -0.133 -12.852 896 HB3 SER 117 HB1 SER 117 -1.897 -0.435 -14.024 897 HG SER 117 HG SER 117 -4.446 -1.483 -13.843 898 HA PRO 118 HA PRO 118 0.905 -0.460 -9.686 899 HB2 PRO 118 HB2 PRO 118 3.155 -2.107 -10.338 900 HB3 PRO 118 HB1 PRO 118 2.133 -2.224 -8.909 901 HG2 PRO 118 HG2 PRO 118 2.283 -4.125 -10.937 902 HG3 PRO 118 HG1 PRO 118 0.971 -3.987 -9.756 903 HD2 PRO 118 HD2 PRO 118 1.082 -3.076 -12.591 904 HD3 PRO 118 HD1 PRO 118 -0.286 -3.702 -11.644 905 H ILE 119 HN ILE 119 1.564 1.471 -10.447 906 HA ILE 119 HA ILE 119 2.812 1.594 -13.072 907 HB ILE 119 HB ILE 119 1.861 3.868 -11.289 908 HG12 ILE 119 HG12 ILE 119 0.586 2.633 -13.750 909 HG13 ILE 119 HG11 ILE 119 0.052 2.367 -12.096 910 HG21 ILE 119 HG21 ILE 119 2.068 5.246 -13.335 911 HG22 ILE 119 HG22 ILE 119 2.774 3.863 -14.174 912 HG23 ILE 119 HG23 ILE 119 3.622 4.594 -12.810 913 HD11 ILE 119 HD11 ILE 119 -1.362 3.964 -13.258 914 HD12 ILE 119 HD12 ILE 119 0.035 5.002 -13.553 915 HD13 ILE 119 HD13 ILE 119 -0.529 4.726 -11.905 916 H SER 120 HN SER 120 3.473 3.267 -9.948 917 HA SER 120 HA SER 120 6.203 3.623 -10.554 918 HB2 SER 120 HB2 SER 120 6.062 4.154 -7.997 919 HB3 SER 120 HB1 SER 120 5.274 5.215 -9.166 920 HG SER 120 HG SER 120 3.436 4.720 -8.353 921 H LEU 121 HN LEU 121 4.376 1.624 -8.376 922 HA LEU 121 HA LEU 121 6.512 0.194 -7.254 923 HB2 LEU 121 HB2 LEU 121 3.560 -0.324 -7.379 924 HB3 LEU 121 HB1 LEU 121 4.652 -1.450 -6.613 925 HG LEU 121 HG LEU 121 5.274 0.254 -4.944 926 HD11 LEU 121 HD11 LEU 121 4.957 2.278 -6.292 927 HD12 LEU 121 HD12 LEU 121 4.071 2.348 -4.767 928 HD13 LEU 121 HD13 LEU 121 3.215 2.008 -6.271 929 HD21 LEU 121 HD21 LEU 121 3.156 0.351 -3.791 930 HD22 LEU 121 HD22 LEU 121 3.425 -1.233 -4.523 931 HD23 LEU 121 HD23 LEU 121 2.325 -0.088 -5.278 932 HA PRO 122 HA PRO 122 7.234 -2.787 -10.474 933 HB2 PRO 122 HB2 PRO 122 8.987 -4.354 -9.184 934 HB3 PRO 122 HB1 PRO 122 9.392 -2.709 -9.691 935 HG2 PRO 122 HG2 PRO 122 8.591 -3.701 -6.989 936 HG3 PRO 122 HG1 PRO 122 9.878 -2.562 -7.418 937 HD2 PRO 122 HD2 PRO 122 7.411 -1.809 -6.502 938 HD3 PRO 122 HD1 PRO 122 8.429 -0.794 -7.544 939 H CYS 123 HN CYS 123 5.630 -3.440 -7.566 940 HA CYS 123 HA CYS 123 4.782 -6.026 -8.582 941 HB2 CYS 123 HB2 CYS 123 6.475 -6.567 -6.927 942 HB3 CYS 123 HB1 CYS 123 5.735 -5.487 -5.761 943 HG CYS 123 HG CYS 123 3.460 -7.044 -5.420 944 H CYS 124 HN CYS 124 2.702 -6.617 -7.931 945 HA CYS 124 HA CYS 124 0.883 -4.473 -7.573 946 HB2 CYS 124 HB2 CYS 124 -0.800 -6.294 -7.561 947 HB3 CYS 124 HB1 CYS 124 0.314 -6.399 -8.922 948 HG CYS 124 HG CYS 124 1.106 -8.134 -6.165 949 H LEU 125 HN LEU 125 -0.404 -4.022 -5.840 950 HA LEU 125 HA LEU 125 0.679 -4.566 -3.243 951 HB2 LEU 125 HB2 LEU 125 -1.767 -3.046 -4.114 952 HB3 LEU 125 HB1 LEU 125 -1.212 -3.156 -2.457 953 HG LEU 125 HG LEU 125 0.334 -1.903 -4.723 954 HD11 LEU 125 HD11 LEU 125 -0.132 0.194 -3.581 955 HD12 LEU 125 HD12 LEU 125 -1.102 -0.669 -2.385 956 HD13 LEU 125 HD13 LEU 125 -1.627 -0.606 -4.072 957 HD21 LEU 125 HD21 LEU 125 1.790 -2.868 -3.081 958 HD22 LEU 125 HD22 LEU 125 0.868 -2.116 -1.781 959 HD23 LEU 125 HD23 LEU 125 1.782 -1.113 -2.907 960 H ARG 126 HN ARG 126 0.113 -6.054 -1.879 961 HA ARG 126 HA ARG 126 -2.309 -7.628 -2.361 962 HB2 ARG 126 HB2 ARG 126 -0.182 -8.872 -2.386 963 HB3 ARG 126 HB1 ARG 126 0.204 -8.258 -0.792 964 HG2 ARG 126 HG2 ARG 126 -0.503 -10.506 -0.543 965 HG3 ARG 126 HG1 ARG 126 -1.787 -9.481 0.081 966 HD2 ARG 126 HD2 ARG 126 -1.777 -10.704 -2.681 967 HD3 ARG 126 HD1 ARG 126 -2.576 -11.427 -1.282 968 HE ARG 126 HE ARG 126 -3.433 -9.199 -2.895 969 HH11 ARG 126 HH11 ARG 126 -3.893 -10.941 0.162 970 HH12 ARG 126 HH12 ARG 126 -5.477 -10.387 0.403 971 HH21 ARG 126 HH21 ARG 126 -5.630 -8.492 -2.591 972 HH22 ARG 126 HH22 ARG 126 -6.511 -8.983 -1.221 973 H ILE 127 HN ILE 127 -3.903 -6.713 -1.217 974 HA ILE 127 HA ILE 127 -3.331 -5.410 1.299 975 HB ILE 127 HB ILE 127 -5.971 -5.626 -0.199 976 HG12 ILE 127 HG12 ILE 127 -5.615 -3.099 -0.519 977 HG13 ILE 127 HG11 ILE 127 -3.947 -3.392 -0.057 978 HG21 ILE 127 HG21 ILE 127 -6.358 -5.358 2.164 979 HG22 ILE 127 HG22 ILE 127 -6.812 -3.887 1.304 980 HG23 ILE 127 HG23 ILE 127 -5.296 -3.950 2.210 981 HD11 ILE 127 HD11 ILE 127 -3.695 -4.894 -1.974 982 HD12 ILE 127 HD12 ILE 127 -4.182 -3.270 -2.465 983 HD13 ILE 127 HD13 ILE 127 -5.365 -4.576 -2.434 984 HA PRO 128 HA PRO 128 -4.256 -9.164 3.617 985 HB2 PRO 128 HB2 PRO 128 -4.814 -7.824 6.004 986 HB3 PRO 128 HB1 PRO 128 -3.222 -8.370 5.476 987 HG2 PRO 128 HG2 PRO 128 -4.467 -5.673 5.249 988 HG3 PRO 128 HG1 PRO 128 -2.792 -6.094 5.653 989 HD2 PRO 128 HD2 PRO 128 -3.433 -5.197 3.250 990 HD3 PRO 128 HD1 PRO 128 -2.244 -6.509 3.422 991 H SER 129 HN SER 129 -6.262 -6.310 3.766 992 HA SER 129 HA SER 129 -8.372 -5.867 3.677 993 HB2 SER 129 HB2 SER 129 -8.791 -8.704 2.751 994 HB3 SER 129 HB1 SER 129 -9.829 -7.276 2.538 995 HG SER 129 HG SER 129 -7.261 -7.718 1.441 996 H LYS 130 HN LYS 130 -7.586 -8.570 5.728 997 HA LYS 130 HA LYS 130 -10.024 -7.989 7.200 998 HB2 LYS 130 HB2 LYS 130 -9.924 -10.324 6.530 999 HB3 LYS 130 HB1 LYS 130 -8.344 -10.500 7.281 1000 HG2 LYS 130 HG2 LYS 130 -10.151 -11.478 8.653 1001 HG3 LYS 130 HG1 LYS 130 -9.320 -10.165 9.489 1002 HD2 LYS 130 HD2 LYS 130 -11.136 -8.631 8.872 1003 HD3 LYS 130 HD1 LYS 130 -11.967 -9.943 8.038 1004 HE2 LYS 130 HE2 LYS 130 -12.932 -9.543 10.230 1005 HE3 LYS 130 HE1 LYS 130 -12.194 -11.134 10.155 1006 HZ1 LYS 130 HZ1 LYS 130 -11.769 -9.890 12.226 1007 HZ2 LYS 130 HZ2 LYS 130 -10.821 -8.768 11.429 1008 HZ3 LYS 130 HZ3 LYS 130 -10.376 -10.393 11.477 1009 H ASP 131 HN ASP 131 -9.841 -6.852 8.915 1010 HA ASP 131 HA ASP 131 -7.685 -7.336 10.793 1011 HB2 ASP 131 HB2 ASP 131 -6.963 -5.284 9.657 1012 HB3 ASP 131 HB1 ASP 131 -8.564 -4.586 9.870 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -45.465 4.397 10.175 2 H2 MET 1 HT2 MET 1 -45.768 4.811 11.760 3 H3 MET 1 HT3 MET 1 -47.042 4.289 10.792 4 HA MET 1 HA MET 1 -46.295 2.584 12.336 5 HB2 MET 1 HB2 MET 1 -47.138 1.871 10.120 6 HB3 MET 1 HB1 MET 1 -45.519 2.003 9.456 7 HG2 MET 1 HG2 MET 1 -44.752 0.190 10.854 8 HG3 MET 1 HG1 MET 1 -46.314 0.116 11.659 9 HE1 MET 1 HE1 MET 1 -48.665 -1.303 8.891 10 HE2 MET 1 HE2 MET 1 -48.417 0.396 9.271 11 HE3 MET 1 HE3 MET 1 -48.521 -0.795 10.573 12 H HIS 2 HN HIS 2 -44.580 1.519 13.353 13 HA HIS 2 HA HIS 2 -42.131 2.959 13.146 14 HB2 HIS 2 HB2 HIS 2 -42.958 2.518 15.377 15 HB3 HIS 2 HB1 HIS 2 -42.997 0.790 15.082 16 HD1 HIS 2 HD1 HIS 2 -41.066 -0.411 16.147 17 HD2 HIS 2 HD2 HIS 2 -40.110 3.521 15.180 18 HE1 HIS 2 HE1 HIS 2 -38.702 -0.052 16.936 19 H HIS 3 HN HIS 3 -42.216 -0.588 13.625 20 HA HIS 3 HA HIS 3 -40.774 -1.255 11.297 21 HB2 HIS 3 HB2 HIS 3 -39.186 0.397 12.449 22 HB3 HIS 3 HB1 HIS 3 -39.013 -0.796 13.719 23 HD1 HIS 3 HD1 HIS 3 -37.239 0.417 10.975 24 HD2 HIS 3 HD2 HIS 3 -38.115 -3.414 12.322 25 HE1 HIS 3 HE1 HIS 3 -35.466 -1.092 10.011 26 H HIS 4 HN HIS 4 -41.067 -3.471 11.295 27 HA HIS 4 HA HIS 4 -40.627 -4.874 13.805 28 HB2 HIS 4 HB2 HIS 4 -43.054 -5.307 12.059 29 HB3 HIS 4 HB1 HIS 4 -42.478 -6.546 13.164 30 HD1 HIS 4 HD1 HIS 4 -45.004 -4.092 13.081 31 HD2 HIS 4 HD2 HIS 4 -42.130 -5.153 15.888 32 HE1 HIS 4 HE1 HIS 4 -45.840 -3.248 15.286 33 H HIS 5 HN HIS 5 -41.585 -6.179 10.650 34 HA HIS 5 HA HIS 5 -39.061 -7.641 10.791 35 HB2 HIS 5 HB2 HIS 5 -40.146 -9.508 9.522 36 HB3 HIS 5 HB1 HIS 5 -40.821 -9.227 11.117 37 HD1 HIS 5 HD1 HIS 5 -41.827 -9.802 7.699 38 HD2 HIS 5 HD2 HIS 5 -43.356 -7.697 10.933 39 HE1 HIS 5 HE1 HIS 5 -44.272 -9.482 7.232 40 H HIS 6 HN HIS 6 -40.551 -5.300 9.086 41 HA HIS 6 HA HIS 6 -38.995 -5.913 6.682 42 HB2 HIS 6 HB2 HIS 6 -41.150 -3.835 7.154 43 HB3 HIS 6 HB1 HIS 6 -40.216 -3.953 5.674 44 HD1 HIS 6 HD1 HIS 6 -43.197 -5.324 7.376 45 HD2 HIS 6 HD2 HIS 6 -40.763 -6.305 4.151 46 HE1 HIS 6 HE1 HIS 6 -44.487 -6.976 6.002 47 H HIS 7 HN HIS 7 -37.011 -5.118 6.718 48 HA HIS 7 HA HIS 7 -36.351 -3.049 8.551 49 HB2 HIS 7 HB2 HIS 7 -34.013 -3.203 7.699 50 HB3 HIS 7 HB1 HIS 7 -34.652 -4.748 8.222 51 HD1 HIS 7 HD1 HIS 7 -34.546 -6.656 6.490 52 HD2 HIS 7 HD2 HIS 7 -33.720 -2.917 4.871 53 HE1 HIS 7 HE1 HIS 7 -33.698 -7.069 4.168 54 H SER 8 HN SER 8 -36.676 -1.040 8.299 55 HA SER 8 HA SER 8 -36.934 0.168 5.682 56 HB2 SER 8 HB2 SER 8 -37.241 1.322 8.461 57 HB3 SER 8 HB1 SER 8 -37.763 2.077 6.951 58 HG SER 8 HG SER 8 -39.118 0.219 6.662 59 H SER 9 HN SER 9 -34.361 -0.735 6.148 60 HA SER 9 HA SER 9 -32.834 1.743 6.330 61 HB2 SER 9 HB2 SER 9 -32.042 -0.891 7.599 62 HB3 SER 9 HB1 SER 9 -31.082 0.592 7.589 63 HG SER 9 HG SER 9 -32.924 1.564 8.686 64 H GLY 10 HN GLY 10 -30.687 1.428 5.280 65 HA2 GLY 10 HA2 GLY 10 -31.043 -0.191 2.901 66 HA3 GLY 10 HA1 GLY 10 -29.826 1.061 3.134 67 H LEU 11 HN LEU 11 -27.901 0.561 4.213 68 HA LEU 11 HA LEU 11 -27.498 -2.073 5.245 69 HB2 LEU 11 HB2 LEU 11 -25.754 -2.780 3.733 70 HB3 LEU 11 HB1 LEU 11 -27.219 -2.507 2.826 71 HG LEU 11 HG LEU 11 -24.941 -0.513 2.911 72 HD11 LEU 11 HD11 LEU 11 -25.503 -2.659 0.872 73 HD12 LEU 11 HD12 LEU 11 -24.130 -2.609 1.978 74 HD13 LEU 11 HD13 LEU 11 -24.294 -1.387 0.718 75 HD21 LEU 11 HD21 LEU 11 -27.103 0.419 2.211 76 HD22 LEU 11 HD22 LEU 11 -27.250 -0.845 0.986 77 HD23 LEU 11 HD23 LEU 11 -25.967 0.358 0.863 78 H VAL 12 HN VAL 12 -25.596 -2.207 6.426 79 HA VAL 12 HA VAL 12 -24.064 0.273 6.604 80 HB VAL 12 HB VAL 12 -24.571 -1.730 8.851 81 HG11 VAL 12 HG11 VAL 12 -22.397 -0.682 9.036 82 HG12 VAL 12 HG12 VAL 12 -23.473 -0.083 10.302 83 HG13 VAL 12 HG13 VAL 12 -23.130 0.915 8.890 84 HG21 VAL 12 HG21 VAL 12 -25.653 1.066 8.495 85 HG22 VAL 12 HG22 VAL 12 -25.891 0.055 9.918 86 HG23 VAL 12 HG23 VAL 12 -26.580 -0.426 8.370 87 HA PRO 13 HA PRO 13 -21.289 -2.859 4.974 88 HB2 PRO 13 HB2 PRO 13 -19.568 -1.179 3.762 89 HB3 PRO 13 HB1 PRO 13 -21.152 -1.561 3.079 90 HG2 PRO 13 HG2 PRO 13 -20.264 0.859 4.577 91 HG3 PRO 13 HG1 PRO 13 -21.355 0.741 3.189 92 HD2 PRO 13 HD2 PRO 13 -22.175 1.019 5.810 93 HD3 PRO 13 HD1 PRO 13 -23.172 0.340 4.509 94 H ARG 14 HN ARG 14 -19.530 -3.756 5.760 95 HA ARG 14 HA ARG 14 -18.039 -2.318 7.848 96 HB2 ARG 14 HB2 ARG 14 -18.423 -5.289 7.433 97 HB3 ARG 14 HB1 ARG 14 -17.493 -4.545 8.723 98 HG2 ARG 14 HG2 ARG 14 -19.489 -3.561 9.642 99 HG3 ARG 14 HG1 ARG 14 -20.451 -4.204 8.309 100 HD2 ARG 14 HD2 ARG 14 -19.852 -6.476 8.998 101 HD3 ARG 14 HD1 ARG 14 -18.916 -5.818 10.340 102 HE ARG 14 HE ARG 14 -21.224 -4.736 10.858 103 HH11 ARG 14 HH11 ARG 14 -20.625 -8.038 9.773 104 HH12 ARG 14 HH12 ARG 14 -21.927 -8.722 10.613 105 HH21 ARG 14 HH21 ARG 14 -23.039 -5.653 12.030 106 HH22 ARG 14 HH22 ARG 14 -23.325 -7.321 11.974 107 H GLY 15 HN GLY 15 -15.850 -2.228 7.672 108 HA2 GLY 15 HA2 GLY 15 -13.736 -2.572 6.876 109 HA3 GLY 15 HA1 GLY 15 -14.334 -4.014 6.066 110 H SER 16 HN SER 16 -15.605 -0.789 5.591 111 HA SER 16 HA SER 16 -15.136 -1.041 2.784 112 HB2 SER 16 HB2 SER 16 -16.201 1.291 4.360 113 HB3 SER 16 HB1 SER 16 -16.334 1.097 2.604 114 HG SER 16 HG SER 16 -17.671 -0.603 2.909 115 H ASP 17 HN ASP 17 -13.583 0.094 5.305 116 HA ASP 17 HA ASP 17 -11.599 1.529 3.664 117 HB2 ASP 17 HB2 ASP 17 -12.595 3.214 5.005 118 HB3 ASP 17 HB1 ASP 17 -12.470 2.242 6.471 119 H THR 18 HN THR 18 -9.617 0.739 3.736 120 HA THR 18 HA THR 18 -9.075 -1.147 5.879 121 HB THR 18 HB THR 18 -7.499 -2.177 4.118 122 HG1 THR 18 HG1 THR 18 -9.018 -1.542 2.048 123 HG21 THR 18 HG21 THR 18 -9.555 -3.259 4.904 124 HG22 THR 18 HG22 THR 18 -9.383 -3.480 3.159 125 HG23 THR 18 HG23 THR 18 -10.498 -2.265 3.797 126 H SER 19 HN SER 19 -8.432 1.866 5.344 127 HA SER 19 HA SER 19 -5.708 2.195 4.901 128 HB2 SER 19 HB2 SER 19 -7.530 3.911 6.601 129 HB3 SER 19 HB1 SER 19 -5.973 4.404 5.939 130 HG SER 19 HG SER 19 -8.436 4.045 4.706 131 H LYS 20 HN LYS 20 -7.442 1.593 7.909 132 HA LYS 20 HA LYS 20 -5.386 2.040 9.733 133 HB2 LYS 20 HB2 LYS 20 -6.623 0.741 11.274 134 HB3 LYS 20 HB1 LYS 20 -7.678 1.807 10.358 135 HG2 LYS 20 HG2 LYS 20 -8.383 -0.056 8.992 136 HG3 LYS 20 HG1 LYS 20 -7.292 -1.123 9.884 137 HD2 LYS 20 HD2 LYS 20 -8.370 -0.523 11.916 138 HD3 LYS 20 HD1 LYS 20 -9.504 0.492 11.022 139 HE2 LYS 20 HE2 LYS 20 -10.233 -1.494 9.728 140 HE3 LYS 20 HE1 LYS 20 -9.150 -2.488 10.690 141 HZ1 LYS 20 HZ1 LYS 20 -11.429 -0.926 11.770 142 HZ2 LYS 20 HZ2 LYS 20 -10.469 -1.998 12.659 143 HZ3 LYS 20 HZ3 LYS 20 -11.496 -2.566 11.434 144 H PHE 21 HN PHE 21 -5.850 -0.655 7.593 145 HA PHE 21 HA PHE 21 -4.364 -2.464 9.189 146 HB2 PHE 21 HB2 PHE 21 -5.312 -2.661 6.333 147 HB3 PHE 21 HB1 PHE 21 -4.397 -3.935 7.121 148 HD1 PHE 21 HD1 PHE 21 -5.385 -5.072 9.123 149 HD2 PHE 21 HD2 PHE 21 -7.623 -2.425 6.661 150 HE1 PHE 21 HE1 PHE 21 -7.474 -6.026 10.003 151 HE2 PHE 21 HE2 PHE 21 -9.720 -3.370 7.543 152 HZ PHE 21 HZ PHE 21 -9.643 -5.177 9.218 153 H TRP 22 HN TRP 22 -3.645 -0.129 6.724 154 HA TRP 22 HA TRP 22 -0.911 -1.170 6.662 155 HB2 TRP 22 HB2 TRP 22 -0.706 -0.197 4.338 156 HB3 TRP 22 HB1 TRP 22 -1.686 -1.638 4.522 157 HD1 TRP 22 HD1 TRP 22 -4.119 -1.528 3.655 158 HE1 TRP 22 HE1 TRP 22 -5.558 0.255 2.511 159 HE3 TRP 22 HE3 TRP 22 -1.119 2.583 4.405 160 HZ2 TRP 22 HZ2 TRP 22 -5.445 3.040 1.973 161 HZ3 TRP 22 HZ3 TRP 22 -1.884 4.739 3.542 162 HH2 TRP 22 HH2 TRP 22 -3.998 4.959 2.365 163 H TYR 23 HN TYR 23 -2.747 1.596 7.360 164 HA TYR 23 HA TYR 23 -0.453 3.290 6.914 165 HB2 TYR 23 HB2 TYR 23 -2.705 4.032 6.175 166 HB3 TYR 23 HB1 TYR 23 -3.215 4.052 7.861 167 HD1 TYR 23 HD1 TYR 23 -0.718 5.482 5.535 168 HD2 TYR 23 HD2 TYR 23 -2.911 5.994 9.132 169 HE1 TYR 23 HE1 TYR 23 0.131 7.755 5.702 170 HE2 TYR 23 HE2 TYR 23 -2.072 8.289 9.322 171 HH TYR 23 HH TYR 23 -0.253 9.632 8.564 172 H LYS 24 HN LYS 24 0.985 3.304 8.385 173 HA LYS 24 HA LYS 24 0.232 3.988 11.065 174 HB2 LYS 24 HB2 LYS 24 2.393 2.550 11.791 175 HB3 LYS 24 HB1 LYS 24 0.778 1.894 11.840 176 HG2 LYS 24 HG2 LYS 24 2.334 1.490 9.341 177 HG3 LYS 24 HG1 LYS 24 2.842 0.591 10.772 178 HD2 LYS 24 HD2 LYS 24 0.476 -0.190 11.026 179 HD3 LYS 24 HD1 LYS 24 0.111 0.571 9.474 180 HE2 LYS 24 HE2 LYS 24 1.646 -0.905 8.343 181 HE3 LYS 24 HE1 LYS 24 2.212 -1.558 9.877 182 HZ1 LYS 24 HZ1 LYS 24 -0.019 -2.503 10.221 183 HZ2 LYS 24 HZ2 LYS 24 0.681 -3.076 8.832 184 HZ3 LYS 24 HZ3 LYS 24 -0.532 -1.946 8.724 185 HA PRO 25 HA PRO 25 2.871 7.015 9.259 186 HB2 PRO 25 HB2 PRO 25 2.013 9.084 10.663 187 HB3 PRO 25 HB1 PRO 25 1.021 8.311 9.419 188 HG2 PRO 25 HG2 PRO 25 0.932 7.942 12.393 189 HG3 PRO 25 HG1 PRO 25 -0.407 8.192 11.261 190 HD2 PRO 25 HD2 PRO 25 0.300 5.749 12.177 191 HD3 PRO 25 HD1 PRO 25 -0.408 6.012 10.573 192 H HIS 26 HN HIS 26 3.022 6.230 12.700 193 HA HIS 26 HA HIS 26 5.321 8.042 12.887 194 HB2 HIS 26 HB2 HIS 26 3.446 8.270 14.568 195 HB3 HIS 26 HB1 HIS 26 3.858 6.672 15.169 196 HD1 HIS 26 HD1 HIS 26 5.026 6.963 17.368 197 HD2 HIS 26 HD2 HIS 26 6.143 9.837 14.599 198 HE1 HIS 26 HE1 HIS 26 6.727 8.422 18.526 199 H LEU 27 HN LEU 27 5.135 5.194 11.771 200 HA LEU 27 HA LEU 27 7.012 3.823 13.521 201 HB2 LEU 27 HB2 LEU 27 5.055 2.704 12.331 202 HB3 LEU 27 HB1 LEU 27 5.959 2.909 10.849 203 HG LEU 27 HG LEU 27 7.759 1.486 11.760 204 HD11 LEU 27 HD11 LEU 27 5.862 1.179 14.091 205 HD12 LEU 27 HD12 LEU 27 7.476 1.898 14.136 206 HD13 LEU 27 HD13 LEU 27 7.281 0.178 13.807 207 HD21 LEU 27 HD21 LEU 27 6.532 -0.615 11.654 208 HD22 LEU 27 HD22 LEU 27 5.973 0.511 10.415 209 HD23 LEU 27 HD23 LEU 27 5.012 0.250 11.868 210 H SER 28 HN SER 28 9.189 3.620 13.096 211 HA SER 28 HA SER 28 10.264 5.370 11.083 212 HB2 SER 28 HB2 SER 28 11.639 3.659 13.167 213 HB3 SER 28 HB1 SER 28 12.422 4.869 12.148 214 HG SER 28 HG SER 28 10.501 6.186 13.144 215 H ARG 29 HN ARG 29 12.179 4.594 9.775 216 HA ARG 29 HA ARG 29 11.208 2.885 7.837 217 HB2 ARG 29 HB2 ARG 29 12.934 4.582 7.423 218 HB3 ARG 29 HB1 ARG 29 14.092 3.608 8.318 219 HG2 ARG 29 HG2 ARG 29 13.860 1.812 6.664 220 HG3 ARG 29 HG1 ARG 29 12.726 2.804 5.757 221 HD2 ARG 29 HD2 ARG 29 14.519 4.502 5.469 222 HD3 ARG 29 HD1 ARG 29 15.638 3.406 6.278 223 HE ARG 29 HE ARG 29 14.293 2.187 4.082 224 HH11 ARG 29 HH11 ARG 29 17.175 4.123 4.923 225 HH12 ARG 29 HH12 ARG 29 17.978 3.752 3.466 226 HH21 ARG 29 HH21 ARG 29 15.427 1.730 2.114 227 HH22 ARG 29 HH22 ARG 29 16.975 2.393 1.846 228 H ASP 30 HN ASP 30 13.698 2.093 10.271 229 HA ASP 30 HA ASP 30 14.120 -0.520 9.223 230 HB2 ASP 30 HB2 ASP 30 15.771 0.635 10.704 231 HB3 ASP 30 HB1 ASP 30 14.676 0.366 12.059 232 H GLN 31 HN GLN 31 12.014 0.725 11.641 233 HA GLN 31 HA GLN 31 11.116 -1.828 12.525 234 HB2 GLN 31 HB2 GLN 31 10.003 0.930 12.979 235 HB3 GLN 31 HB1 GLN 31 9.278 -0.502 13.684 236 HG2 GLN 31 HG2 GLN 31 12.091 0.484 14.133 237 HG3 GLN 31 HG1 GLN 31 10.748 0.588 15.272 238 HE21 GLN 31 HE21 GLN 31 9.733 -2.108 14.698 239 HE22 GLN 31 HE22 GLN 31 10.857 -3.195 15.396 240 H ALA 32 HN ALA 32 10.150 0.349 10.044 241 HA ALA 32 HA ALA 32 7.654 -0.831 9.409 242 HB1 ALA 32 HB1 ALA 32 7.917 0.367 7.263 243 HB2 ALA 32 HB2 ALA 32 9.613 0.648 7.646 244 HB3 ALA 32 HB3 ALA 32 8.360 1.406 8.625 245 H ILE 33 HN ILE 33 10.931 -1.279 8.244 246 HA ILE 33 HA ILE 33 10.469 -3.338 6.377 247 HB ILE 33 HB ILE 33 12.955 -2.752 8.019 248 HG12 ILE 33 HG12 ILE 33 12.313 -1.887 5.204 249 HG13 ILE 33 HG11 ILE 33 12.029 -0.878 6.622 250 HG21 ILE 33 HG21 ILE 33 14.192 -3.919 6.249 251 HG22 ILE 33 HG22 ILE 33 12.685 -4.285 5.423 252 HG23 ILE 33 HG23 ILE 33 13.018 -5.004 6.998 253 HD11 ILE 33 HD11 ILE 33 14.096 -0.293 5.528 254 HD12 ILE 33 HD12 ILE 33 14.680 -1.962 5.736 255 HD13 ILE 33 HD13 ILE 33 14.344 -0.950 7.149 256 H ALA 34 HN ALA 34 11.127 -3.315 9.799 257 HA ALA 34 HA ALA 34 11.450 -5.992 10.393 258 HB1 ALA 34 HB1 ALA 34 9.866 -4.047 12.066 259 HB2 ALA 34 HB2 ALA 34 11.623 -4.187 12.058 260 HB3 ALA 34 HB3 ALA 34 10.634 -5.533 12.627 261 H LEU 35 HN LEU 35 8.396 -4.363 9.690 262 HA LEU 35 HA LEU 35 6.794 -6.676 10.245 263 HB2 LEU 35 HB2 LEU 35 6.232 -4.188 8.626 264 HB3 LEU 35 HB1 LEU 35 5.111 -5.523 8.666 265 HG LEU 35 HG LEU 35 4.301 -3.867 10.127 266 HD11 LEU 35 HD11 LEU 35 4.089 -6.122 10.931 267 HD12 LEU 35 HD12 LEU 35 4.213 -4.963 12.255 268 HD13 LEU 35 HD13 LEU 35 5.601 -5.960 11.827 269 HD21 LEU 35 HD21 LEU 35 6.992 -3.835 11.459 270 HD22 LEU 35 HD22 LEU 35 5.569 -2.946 11.997 271 HD23 LEU 35 HD23 LEU 35 6.315 -2.568 10.443 272 H LEU 36 HN LEU 36 8.114 -5.222 7.378 273 HA LEU 36 HA LEU 36 6.953 -7.093 5.604 274 HB2 LEU 36 HB2 LEU 36 8.743 -4.781 5.366 275 HB3 LEU 36 HB1 LEU 36 8.722 -5.905 4.028 276 HG LEU 36 HG LEU 36 6.368 -5.481 3.618 277 HD11 LEU 36 HD11 LEU 36 5.551 -5.337 5.889 278 HD12 LEU 36 HD12 LEU 36 5.053 -3.925 4.958 279 HD13 LEU 36 HD13 LEU 36 6.393 -3.805 6.107 280 HD21 LEU 36 HD21 LEU 36 7.911 -3.869 2.706 281 HD22 LEU 36 HD22 LEU 36 7.812 -2.915 4.189 282 HD23 LEU 36 HD23 LEU 36 6.391 -3.099 3.160 283 H LYS 37 HN LYS 37 9.793 -7.307 7.426 284 HA LYS 37 HA LYS 37 10.905 -9.260 5.640 285 HB2 LYS 37 HB2 LYS 37 12.653 -9.632 7.405 286 HB3 LYS 37 HB1 LYS 37 12.498 -7.941 6.961 287 HG2 LYS 37 HG2 LYS 37 11.189 -7.531 8.988 288 HG3 LYS 37 HG1 LYS 37 11.330 -9.224 9.430 289 HD2 LYS 37 HD2 LYS 37 12.940 -7.934 10.705 290 HD3 LYS 37 HD1 LYS 37 13.799 -8.955 9.558 291 HE2 LYS 37 HE2 LYS 37 14.120 -7.026 8.073 292 HE3 LYS 37 HE1 LYS 37 13.193 -6.009 9.168 293 HZ1 LYS 37 HZ1 LYS 37 15.817 -7.301 9.782 294 HZ2 LYS 37 HZ2 LYS 37 14.929 -6.393 10.866 295 HZ3 LYS 37 HZ3 LYS 37 15.564 -5.660 9.505 296 H ASP 38 HN ASP 38 8.375 -9.223 7.628 297 HA ASP 38 HA ASP 38 8.431 -12.116 8.163 298 HB2 ASP 38 HB2 ASP 38 8.127 -10.941 10.224 299 HB3 ASP 38 HB1 ASP 38 6.930 -9.870 9.506 300 H LYS 39 HN LYS 39 6.752 -9.509 6.597 301 HA LYS 39 HA LYS 39 4.352 -11.016 6.126 302 HB2 LYS 39 HB2 LYS 39 5.112 -8.387 4.865 303 HB3 LYS 39 HB1 LYS 39 3.505 -9.084 4.962 304 HG2 LYS 39 HG2 LYS 39 5.174 -7.956 7.182 305 HG3 LYS 39 HG1 LYS 39 3.635 -7.359 6.568 306 HD2 LYS 39 HD2 LYS 39 2.478 -9.266 7.462 307 HD3 LYS 39 HD1 LYS 39 4.006 -10.040 7.898 308 HE2 LYS 39 HE2 LYS 39 4.469 -8.061 9.327 309 HE3 LYS 39 HE1 LYS 39 2.810 -7.554 9.054 310 HZ1 LYS 39 HZ1 LYS 39 2.015 -9.601 9.976 311 HZ2 LYS 39 HZ2 LYS 39 2.978 -8.809 11.108 312 HZ3 LYS 39 HZ3 LYS 39 3.602 -10.148 10.269 313 H ASP 40 HN ASP 40 3.482 -10.608 3.757 314 HA ASP 40 HA ASP 40 4.964 -12.493 2.144 315 HB2 ASP 40 HB2 ASP 40 2.391 -11.045 1.472 316 HB3 ASP 40 HB1 ASP 40 3.007 -12.511 0.730 317 HA PRO 41 HA PRO 41 6.530 -9.367 -0.745 318 HB2 PRO 41 HB2 PRO 41 5.851 -11.264 -2.917 319 HB3 PRO 41 HB1 PRO 41 7.426 -10.594 -2.488 320 HG2 PRO 41 HG2 PRO 41 6.845 -13.161 -2.017 321 HG3 PRO 41 HG1 PRO 41 7.831 -12.219 -0.886 322 HD2 PRO 41 HD2 PRO 41 4.938 -12.966 -0.700 323 HD3 PRO 41 HD1 PRO 41 6.189 -12.953 0.563 324 H GLY 42 HN GLY 42 5.220 -7.711 -1.172 325 HA2 GLY 42 HA2 GLY 42 3.534 -6.871 -2.774 326 HA3 GLY 42 HA1 GLY 42 2.556 -8.261 -2.300 327 H ALA 43 HN ALA 43 3.764 -7.844 0.496 328 HA ALA 43 HA ALA 43 1.617 -6.227 1.495 329 HB1 ALA 43 HB1 ALA 43 2.549 -6.714 3.724 330 HB2 ALA 43 HB2 ALA 43 3.980 -7.403 2.986 331 HB3 ALA 43 HB3 ALA 43 2.418 -8.189 2.772 332 H PHE 44 HN PHE 44 1.882 -4.333 2.785 333 HA PHE 44 HA PHE 44 4.294 -2.782 2.408 334 HB2 PHE 44 HB2 PHE 44 3.183 -1.036 1.190 335 HB3 PHE 44 HB1 PHE 44 3.096 -2.539 0.282 336 HD1 PHE 44 HD1 PHE 44 0.929 -3.805 0.230 337 HD2 PHE 44 HD2 PHE 44 1.227 0.122 1.834 338 HE1 PHE 44 HE1 PHE 44 -1.483 -3.521 -0.014 339 HE2 PHE 44 HE2 PHE 44 -1.195 0.400 1.606 340 HZ PHE 44 HZ PHE 44 -2.554 -1.421 0.684 341 H LEU 45 HN LEU 45 3.886 -0.586 3.299 342 HA LEU 45 HA LEU 45 1.546 -0.118 4.849 343 HB2 LEU 45 HB2 LEU 45 2.597 0.307 6.964 344 HB3 LEU 45 HB1 LEU 45 2.975 -1.338 6.511 345 HG LEU 45 HG LEU 45 4.903 0.982 6.238 346 HD11 LEU 45 HD11 LEU 45 5.951 0.109 8.246 347 HD12 LEU 45 HD12 LEU 45 4.680 -1.101 8.400 348 HD13 LEU 45 HD13 LEU 45 4.295 0.612 8.574 349 HD21 LEU 45 HD21 LEU 45 6.588 -0.774 6.062 350 HD22 LEU 45 HD22 LEU 45 5.366 -0.959 4.796 351 HD23 LEU 45 HD23 LEU 45 5.328 -1.995 6.215 352 H ILE 46 HN ILE 46 1.380 2.089 5.388 353 HA ILE 46 HA ILE 46 3.352 3.748 4.010 354 HB ILE 46 HB ILE 46 0.341 4.186 4.087 355 HG12 ILE 46 HG12 ILE 46 2.271 3.674 1.817 356 HG13 ILE 46 HG11 ILE 46 1.035 2.576 2.413 357 HG21 ILE 46 HG21 ILE 46 1.488 6.318 4.384 358 HG22 ILE 46 HG22 ILE 46 0.746 6.229 2.782 359 HG23 ILE 46 HG23 ILE 46 2.486 5.993 2.966 360 HD11 ILE 46 HD11 ILE 46 0.431 3.623 0.307 361 HD12 ILE 46 HD12 ILE 46 0.530 5.219 1.057 362 HD13 ILE 46 HD13 ILE 46 -0.700 4.068 1.587 363 H ARG 47 HN ARG 47 4.225 5.250 5.137 364 HA ARG 47 HA ARG 47 3.034 5.910 7.726 365 HB2 ARG 47 HB2 ARG 47 5.267 6.239 8.626 366 HB3 ARG 47 HB1 ARG 47 5.146 4.631 7.938 367 HG2 ARG 47 HG2 ARG 47 6.348 5.383 5.945 368 HG3 ARG 47 HG1 ARG 47 6.446 7.009 6.616 369 HD2 ARG 47 HD2 ARG 47 7.627 6.012 8.591 370 HD3 ARG 47 HD1 ARG 47 7.697 4.502 7.695 371 HE ARG 47 HE ARG 47 8.848 6.032 5.940 372 HH11 ARG 47 HH11 ARG 47 9.243 6.197 9.456 373 HH12 ARG 47 HH12 ARG 47 10.834 6.769 9.399 374 HH21 ARG 47 HH21 ARG 47 11.033 6.821 5.851 375 HH22 ARG 47 HH22 ARG 47 11.910 7.125 7.277 376 H ASP 48 HN ASP 48 4.024 8.200 8.474 377 HA ASP 48 HA ASP 48 3.773 10.012 6.175 378 HB2 ASP 48 HB2 ASP 48 2.211 10.315 8.162 379 HB3 ASP 48 HB1 ASP 48 3.625 10.654 9.144 380 H SER 49 HN SER 49 5.596 11.130 5.579 381 HA SER 49 HA SER 49 7.935 10.491 7.201 382 HB2 SER 49 HB2 SER 49 7.790 11.073 4.248 383 HB3 SER 49 HB1 SER 49 9.228 10.585 5.152 384 HG SER 49 HG SER 49 7.001 9.056 5.486 385 H HIS 50 HN HIS 50 8.778 12.090 8.303 386 HA HIS 50 HA HIS 50 8.352 14.842 7.605 387 HB2 HIS 50 HB2 HIS 50 9.990 13.527 9.746 388 HB3 HIS 50 HB1 HIS 50 9.998 15.264 9.495 389 HD1 HIS 50 HD1 HIS 50 8.143 16.588 10.602 390 HD2 HIS 50 HD2 HIS 50 7.468 12.491 10.664 391 HE1 HIS 50 HE1 HIS 50 6.186 16.231 12.128 392 H SER 51 HN SER 51 9.180 14.551 5.651 393 HA SER 51 HA SER 51 12.073 15.116 5.470 394 HB2 SER 51 HB2 SER 51 11.584 12.737 4.731 395 HB3 SER 51 HB1 SER 51 10.540 13.384 3.479 396 HG SER 51 HG SER 51 12.824 14.630 3.175 397 H PHE 52 HN PHE 52 9.009 15.034 3.702 398 HA PHE 52 HA PHE 52 9.398 17.799 2.873 399 HB2 PHE 52 HB2 PHE 52 8.198 15.510 1.274 400 HB3 PHE 52 HB1 PHE 52 8.188 17.194 0.778 401 HD1 PHE 52 HD1 PHE 52 10.295 18.296 0.132 402 HD2 PHE 52 HD2 PHE 52 10.109 14.140 1.001 403 HE1 PHE 52 HE1 PHE 52 12.465 17.971 -0.975 404 HE2 PHE 52 HE2 PHE 52 12.266 13.801 -0.093 405 HZ PHE 52 HZ PHE 52 13.460 15.718 -1.092 406 H GLN 53 HN GLN 53 7.075 18.649 2.312 407 HA GLN 53 HA GLN 53 5.453 17.781 4.548 408 HB2 GLN 53 HB2 GLN 53 4.064 19.791 4.051 409 HB3 GLN 53 HB1 GLN 53 5.731 20.149 4.450 410 HG2 GLN 53 HG2 GLN 53 6.247 20.556 2.147 411 HG3 GLN 53 HG1 GLN 53 4.628 20.049 1.657 412 HE21 GLN 53 HE21 GLN 53 2.898 21.358 2.139 413 HE22 GLN 53 HE22 GLN 53 3.084 23.031 2.522 414 H GLY 54 HN GLY 54 3.855 16.474 4.363 415 HA2 GLY 54 HA2 GLY 54 2.070 15.368 3.477 416 HA3 GLY 54 HA1 GLY 54 2.153 16.437 2.077 417 H ALA 55 HN ALA 55 4.436 14.166 3.522 418 HA ALA 55 HA ALA 55 4.512 12.815 0.934 419 HB1 ALA 55 HB1 ALA 55 6.532 14.135 1.161 420 HB2 ALA 55 HB2 ALA 55 6.904 12.415 1.246 421 HB3 ALA 55 HB3 ALA 55 6.880 13.386 2.726 422 H TYR 56 HN TYR 56 3.764 10.933 1.139 423 HA TYR 56 HA TYR 56 3.786 9.586 3.741 424 HB2 TYR 56 HB2 TYR 56 2.260 8.838 1.245 425 HB3 TYR 56 HB1 TYR 56 2.023 8.198 2.861 426 HD1 TYR 56 HD2 TYR 56 1.205 9.790 4.669 427 HD2 TYR 56 HD1 TYR 56 1.111 10.743 0.528 428 HE1 TYR 56 HE2 TYR 56 -0.451 11.560 5.105 429 HE2 TYR 56 HE1 TYR 56 -0.528 12.504 0.959 430 HH TYR 56 HH TYR 56 -1.135 13.677 4.016 431 H GLY 57 HN GLY 57 5.077 7.913 4.024 432 HA2 GLY 57 HA2 GLY 57 6.683 7.085 1.725 433 HA3 GLY 57 HA1 GLY 57 7.140 6.852 3.407 434 H LEU 58 HN LEU 58 5.950 5.436 0.691 435 HA LEU 58 HA LEU 58 4.471 3.307 2.000 436 HB2 LEU 58 HB2 LEU 58 3.591 4.103 -0.104 437 HB3 LEU 58 HB1 LEU 58 5.158 3.926 -0.870 438 HG LEU 58 HG LEU 58 4.955 1.442 -0.447 439 HD11 LEU 58 HD11 LEU 58 2.128 2.138 0.145 440 HD12 LEU 58 HD12 LEU 58 3.311 1.422 1.251 441 HD13 LEU 58 HD13 LEU 58 2.757 0.524 -0.167 442 HD21 LEU 58 HD21 LEU 58 4.608 2.369 -2.658 443 HD22 LEU 58 HD22 LEU 58 2.902 2.669 -2.267 444 HD23 LEU 58 HD23 LEU 58 3.526 1.016 -2.314 445 H ALA 59 HN ALA 59 5.563 1.632 2.735 446 HA ALA 59 HA ALA 59 8.115 0.962 1.460 447 HB1 ALA 59 HB1 ALA 59 8.306 1.350 3.863 448 HB2 ALA 59 HB2 ALA 59 8.550 -0.365 3.509 449 HB3 ALA 59 HB3 ALA 59 7.011 0.193 4.163 450 H LEU 60 HN LEU 60 8.006 -0.650 0.116 451 HA LEU 60 HA LEU 60 5.763 -2.563 0.301 452 HB2 LEU 60 HB2 LEU 60 5.615 -1.214 -1.687 453 HB3 LEU 60 HB1 LEU 60 7.288 -1.541 -2.090 454 HG LEU 60 HG LEU 60 6.646 -3.963 -2.346 455 HD11 LEU 60 HD11 LEU 60 4.607 -3.984 -1.087 456 HD12 LEU 60 HD12 LEU 60 4.299 -4.484 -2.752 457 HD13 LEU 60 HD13 LEU 60 3.862 -2.860 -2.225 458 HD21 LEU 60 HD21 LEU 60 7.014 -2.566 -4.276 459 HD22 LEU 60 HD22 LEU 60 5.373 -1.940 -4.172 460 HD23 LEU 60 HD23 LEU 60 5.645 -3.636 -4.580 461 H LYS 61 HN LYS 61 6.293 -4.640 0.588 462 HA LYS 61 HA LYS 61 9.095 -5.419 0.396 463 HB2 LYS 61 HB2 LYS 61 7.801 -6.182 2.348 464 HB3 LYS 61 HB1 LYS 61 6.640 -6.960 1.289 465 HG2 LYS 61 HG2 LYS 61 8.217 -8.551 2.360 466 HG3 LYS 61 HG1 LYS 61 8.332 -8.591 0.589 467 HD2 LYS 61 HD2 LYS 61 10.327 -7.141 0.785 468 HD3 LYS 61 HD1 LYS 61 10.152 -7.192 2.542 469 HE2 LYS 61 HE2 LYS 61 10.663 -9.519 0.708 470 HE3 LYS 61 HE1 LYS 61 11.807 -8.805 1.844 471 HZ1 LYS 61 HZ1 LYS 61 9.372 -10.368 2.417 472 HZ2 LYS 61 HZ2 LYS 61 10.084 -9.428 3.603 473 HZ3 LYS 61 HZ3 LYS 61 10.950 -10.708 2.885 474 H VAL 62 HN VAL 62 9.753 -6.009 -1.530 475 HA VAL 62 HA VAL 62 7.804 -7.080 -3.413 476 HB VAL 62 HB VAL 62 9.381 -6.605 -5.173 477 HG11 VAL 62 HG11 VAL 62 9.180 -4.298 -3.262 478 HG12 VAL 62 HG12 VAL 62 8.042 -4.731 -4.542 479 HG13 VAL 62 HG13 VAL 62 9.663 -4.167 -4.948 480 HG21 VAL 62 HG21 VAL 62 11.482 -7.182 -4.081 481 HG22 VAL 62 HG22 VAL 62 11.337 -5.775 -3.027 482 HG23 VAL 62 HG23 VAL 62 11.577 -5.554 -4.760 483 H ALA 63 HN ALA 63 8.485 -8.887 -4.742 484 HA ALA 63 HA ALA 63 9.628 -11.016 -3.202 485 HB1 ALA 63 HB1 ALA 63 8.944 -10.814 -6.148 486 HB2 ALA 63 HB2 ALA 63 7.899 -11.456 -4.885 487 HB3 ALA 63 HB3 ALA 63 9.386 -12.305 -5.317 488 H THR 64 HN THR 64 10.479 -9.406 -6.177 489 HA THR 64 HA THR 64 13.153 -8.865 -5.509 490 HB THR 64 HB THR 64 13.878 -9.945 -7.751 491 HG1 THR 64 HG1 THR 64 12.122 -10.733 -8.639 492 HG21 THR 64 HG21 THR 64 14.826 -10.743 -5.656 493 HG22 THR 64 HG22 THR 64 14.501 -12.114 -6.723 494 HG23 THR 64 HG23 THR 64 13.414 -11.766 -5.382 495 HA PRO 65 HA PRO 65 11.642 -5.698 -8.330 496 HB2 PRO 65 HB2 PRO 65 14.532 -5.090 -8.757 497 HB3 PRO 65 HB1 PRO 65 13.228 -4.003 -8.262 498 HG2 PRO 65 HG2 PRO 65 15.063 -4.839 -6.504 499 HG3 PRO 65 HG1 PRO 65 13.368 -4.629 -6.032 500 HD2 PRO 65 HD2 PRO 65 14.887 -7.126 -6.668 501 HD3 PRO 65 HD1 PRO 65 13.678 -6.843 -5.384 502 HA PRO 66 HA PRO 66 14.083 -7.614 -12.180 503 HB2 PRO 66 HB2 PRO 66 15.615 -9.810 -11.620 504 HB3 PRO 66 HB1 PRO 66 16.275 -8.166 -11.485 505 HG2 PRO 66 HG2 PRO 66 15.014 -9.760 -9.357 506 HG3 PRO 66 HG1 PRO 66 16.670 -9.092 -9.367 507 HD2 PRO 66 HD2 PRO 66 14.767 -7.914 -8.209 508 HD3 PRO 66 HD1 PRO 66 15.818 -6.902 -9.262 509 HA PRO 67 HA PRO 67 10.743 -10.586 -12.219 510 HB2 PRO 67 HB2 PRO 67 11.758 -11.640 -14.761 511 HB3 PRO 67 HB1 PRO 67 10.253 -10.782 -14.432 512 HG2 PRO 67 HG2 PRO 67 12.297 -9.658 -15.809 513 HG3 PRO 67 HG1 PRO 67 11.200 -8.716 -14.782 514 HD2 PRO 67 HD2 PRO 67 13.999 -9.646 -14.213 515 HD3 PRO 67 HD1 PRO 67 13.190 -8.116 -13.814 516 H SER 68 HN SER 68 13.907 -11.802 -13.230 517 HA SER 68 HA SER 68 13.180 -14.408 -12.073 518 HB2 SER 68 HB2 SER 68 13.698 -14.447 -14.498 519 HB3 SER 68 HB1 SER 68 15.293 -13.787 -14.150 520 HG SER 68 HG SER 68 14.235 -16.307 -13.603 521 H ALA 69 HN ALA 69 15.553 -11.847 -12.145 522 HA ALA 69 HA ALA 69 17.176 -11.200 -10.789 523 HB1 ALA 69 HB1 ALA 69 15.559 -11.505 -8.992 524 HB2 ALA 69 HB2 ALA 69 17.190 -11.865 -8.446 525 HB3 ALA 69 HB3 ALA 69 16.059 -13.186 -8.786 526 H GLN 70 HN GLN 70 17.648 -13.093 -12.693 527 HA GLN 70 HA GLN 70 19.228 -15.230 -11.813 528 HB2 GLN 70 HB2 GLN 70 19.299 -13.781 -14.468 529 HB3 GLN 70 HB1 GLN 70 20.205 -15.252 -14.135 530 HG2 GLN 70 HG2 GLN 70 18.092 -16.414 -13.667 531 HG3 GLN 70 HG1 GLN 70 17.210 -14.943 -14.067 532 HE21 GLN 70 HE21 GLN 70 19.057 -17.580 -15.278 533 HE22 GLN 70 HE22 GLN 70 18.686 -17.355 -16.942 534 HA PRO 71 HA PRO 71 22.980 -12.294 -11.706 535 HB2 PRO 71 HB2 PRO 71 22.388 -9.649 -11.398 536 HB3 PRO 71 HB1 PRO 71 22.902 -10.342 -12.942 537 HG2 PRO 71 HG2 PRO 71 20.158 -9.618 -12.003 538 HG3 PRO 71 HG1 PRO 71 20.851 -9.497 -13.630 539 HD2 PRO 71 HD2 PRO 71 19.156 -11.486 -12.868 540 HD3 PRO 71 HD1 PRO 71 20.401 -11.703 -14.114 541 H TRP 72 HN TRP 72 22.883 -13.227 -9.769 542 HA TRP 72 HA TRP 72 21.281 -11.968 -7.664 543 HB2 TRP 72 HB2 TRP 72 20.579 -14.267 -8.254 544 HB3 TRP 72 HB1 TRP 72 22.205 -14.839 -7.903 545 HD1 TRP 72 HD1 TRP 72 22.884 -15.108 -5.356 546 HE1 TRP 72 HE1 TRP 72 21.529 -15.173 -3.191 547 HE3 TRP 72 HE3 TRP 72 18.450 -13.328 -7.150 548 HZ2 TRP 72 HZ2 TRP 72 18.884 -14.583 -2.348 549 HZ3 TRP 72 HZ3 TRP 72 16.548 -13.118 -5.602 550 HH2 TRP 72 HH2 TRP 72 16.766 -13.728 -3.248 551 H LYS 73 HN LYS 73 22.182 -11.750 -5.665 552 HA LYS 73 HA LYS 73 25.053 -12.266 -5.281 553 HB2 LYS 73 HB2 LYS 73 23.673 -9.699 -4.511 554 HB3 LYS 73 HB1 LYS 73 25.358 -10.088 -4.222 555 HG2 LYS 73 HG2 LYS 73 25.666 -10.169 -6.703 556 HG3 LYS 73 HG1 LYS 73 24.023 -9.544 -6.861 557 HD2 LYS 73 HD2 LYS 73 26.321 -8.286 -5.446 558 HD3 LYS 73 HD1 LYS 73 25.644 -7.740 -6.990 559 HE2 LYS 73 HE2 LYS 73 24.308 -7.681 -4.255 560 HE3 LYS 73 HE1 LYS 73 24.873 -6.294 -5.172 561 HZ1 LYS 73 HZ1 LYS 73 22.704 -8.107 -6.105 562 HZ2 LYS 73 HZ2 LYS 73 23.126 -6.609 -6.765 563 HZ3 LYS 73 HZ3 LYS 73 22.466 -6.724 -5.211 564 H GLY 74 HN GLY 74 22.020 -11.180 -3.956 565 HA2 GLY 74 HA2 GLY 74 21.277 -12.885 -2.159 566 HA3 GLY 74 HA1 GLY 74 22.623 -12.120 -1.299 567 H ASP 75 HN ASP 75 22.664 -9.873 -1.110 568 HA ASP 75 HA ASP 75 21.957 -7.805 -0.770 569 HB2 ASP 75 HB2 ASP 75 19.484 -8.525 -2.385 570 HB3 ASP 75 HB1 ASP 75 19.818 -6.916 -1.779 571 HA PRO 76 HA PRO 76 19.919 -8.349 3.072 572 HB2 PRO 76 HB2 PRO 76 19.476 -5.703 3.667 573 HB3 PRO 76 HB1 PRO 76 21.048 -6.489 3.860 574 HG2 PRO 76 HG2 PRO 76 20.045 -4.783 1.622 575 HG3 PRO 76 HG1 PRO 76 21.631 -4.761 2.416 576 HD2 PRO 76 HD2 PRO 76 21.256 -5.945 0.039 577 HD3 PRO 76 HD1 PRO 76 22.374 -6.630 1.236 578 H VAL 77 HN VAL 77 17.810 -8.132 4.015 579 HA VAL 77 HA VAL 77 15.716 -8.263 2.133 580 HB VAL 77 HB VAL 77 15.703 -9.383 4.392 581 HG11 VAL 77 HG11 VAL 77 16.421 -7.593 5.807 582 HG12 VAL 77 HG12 VAL 77 14.840 -8.163 6.333 583 HG13 VAL 77 HG13 VAL 77 14.977 -6.659 5.421 584 HG21 VAL 77 HG21 VAL 77 13.678 -9.334 3.071 585 HG22 VAL 77 HG22 VAL 77 13.265 -7.745 3.717 586 HG23 VAL 77 HG23 VAL 77 13.279 -9.152 4.780 587 H GLU 78 HN GLU 78 17.138 -5.667 3.752 588 HA GLU 78 HA GLU 78 15.119 -3.701 3.684 589 HB2 GLU 78 HB2 GLU 78 18.084 -3.281 3.417 590 HB3 GLU 78 HB1 GLU 78 16.900 -2.120 3.986 591 HG2 GLU 78 HG2 GLU 78 16.467 -3.581 5.930 592 HG3 GLU 78 HG1 GLU 78 17.755 -4.648 5.367 593 H GLN 79 HN GLN 79 17.111 -5.096 1.213 594 HA GLN 79 HA GLN 79 16.813 -2.869 -0.592 595 HB2 GLN 79 HB2 GLN 79 18.836 -4.344 -0.573 596 HB3 GLN 79 HB1 GLN 79 17.827 -5.653 -1.161 597 HG2 GLN 79 HG2 GLN 79 19.062 -4.613 -2.963 598 HG3 GLN 79 HG1 GLN 79 17.319 -4.390 -3.176 599 HE21 GLN 79 HE21 GLN 79 20.331 -2.870 -2.493 600 HE22 GLN 79 HE22 GLN 79 19.800 -1.234 -2.644 601 H LEU 80 HN LEU 80 15.236 -5.859 0.162 602 HA LEU 80 HA LEU 80 13.609 -5.751 -2.219 603 HB2 LEU 80 HB2 LEU 80 13.472 -7.653 0.147 604 HB3 LEU 80 HB1 LEU 80 12.417 -7.726 -1.254 605 HG LEU 80 HG LEU 80 14.007 -9.435 -1.505 606 HD11 LEU 80 HD11 LEU 80 13.474 -8.310 -3.540 607 HD12 LEU 80 HD12 LEU 80 15.132 -8.896 -3.585 608 HD13 LEU 80 HD13 LEU 80 14.812 -7.186 -3.320 609 HD21 LEU 80 HD21 LEU 80 16.444 -9.080 -1.544 610 HD22 LEU 80 HD22 LEU 80 15.742 -8.706 0.030 611 HD23 LEU 80 HD23 LEU 80 16.194 -7.399 -1.067 612 H VAL 81 HN VAL 81 13.622 -4.279 0.723 613 HA VAL 81 HA VAL 81 10.760 -3.725 0.532 614 HB VAL 81 HB VAL 81 12.687 -3.042 2.792 615 HG11 VAL 81 HG11 VAL 81 10.957 -1.342 2.608 616 HG12 VAL 81 HG12 VAL 81 10.630 -2.350 4.021 617 HG13 VAL 81 HG13 VAL 81 9.713 -2.582 2.536 618 HG21 VAL 81 HG21 VAL 81 12.186 -5.407 2.754 619 HG22 VAL 81 HG22 VAL 81 10.470 -5.056 2.586 620 HG23 VAL 81 HG23 VAL 81 11.292 -4.660 4.088 621 H ARG 82 HN ARG 82 10.484 -2.254 -0.900 622 HA ARG 82 HA ARG 82 12.428 -0.095 -1.154 623 HB2 ARG 82 HB2 ARG 82 10.300 -1.066 -2.980 624 HB3 ARG 82 HB1 ARG 82 11.122 0.473 -3.212 625 HG2 ARG 82 HG2 ARG 82 13.285 -0.862 -3.113 626 HG3 ARG 82 HG1 ARG 82 12.263 -2.291 -3.330 627 HD2 ARG 82 HD2 ARG 82 11.342 -1.369 -5.329 628 HD3 ARG 82 HD1 ARG 82 12.242 0.134 -5.011 629 HE ARG 82 HE ARG 82 13.971 -2.102 -5.199 630 HH11 ARG 82 HH11 ARG 82 12.117 0.086 -7.328 631 HH12 ARG 82 HH12 ARG 82 13.276 0.014 -8.557 632 HH21 ARG 82 HH21 ARG 82 15.529 -2.146 -6.948 633 HH22 ARG 82 HH22 ARG 82 15.209 -1.239 -8.361 634 H HIS 83 HN HIS 83 11.913 1.974 -1.048 635 HA HIS 83 HA HIS 83 9.354 2.602 0.240 636 HB2 HIS 83 HB2 HIS 83 12.088 3.827 0.659 637 HB3 HIS 83 HB1 HIS 83 10.604 4.575 1.234 638 HD1 HIS 83 HD1 HIS 83 12.582 1.343 1.730 639 HD2 HIS 83 HD2 HIS 83 9.789 3.731 3.663 640 HE1 HIS 83 HE1 HIS 83 12.292 0.373 4.040 641 H PHE 84 HN PHE 84 8.082 3.834 -0.827 642 HA PHE 84 HA PHE 84 9.141 5.691 -2.864 643 HB2 PHE 84 HB2 PHE 84 6.521 4.153 -2.940 644 HB3 PHE 84 HB1 PHE 84 7.101 5.267 -4.167 645 HD1 PHE 84 HD1 PHE 84 8.928 4.623 -5.661 646 HD2 PHE 84 HD2 PHE 84 7.334 1.928 -2.786 647 HE1 PHE 84 HE1 PHE 84 10.004 2.747 -6.827 648 HE2 PHE 84 HE2 PHE 84 8.410 0.053 -3.932 649 HZ PHE 84 HZ PHE 84 9.743 0.452 -5.962 650 H LEU 85 HN LEU 85 8.397 7.777 -2.534 651 HA LEU 85 HA LEU 85 6.388 7.949 -0.442 652 HB2 LEU 85 HB2 LEU 85 7.058 10.310 -0.044 653 HB3 LEU 85 HB1 LEU 85 8.256 9.114 0.373 654 HG LEU 85 HG LEU 85 8.455 10.551 -2.259 655 HD11 LEU 85 HD11 LEU 85 9.374 11.527 0.448 656 HD12 LEU 85 HD12 LEU 85 8.136 12.283 -0.561 657 HD13 LEU 85 HD13 LEU 85 9.817 12.251 -1.099 658 HD21 LEU 85 HD21 LEU 85 9.945 8.637 -1.743 659 HD22 LEU 85 HD22 LEU 85 10.484 9.499 -0.295 660 HD23 LEU 85 HD23 LEU 85 10.825 10.162 -1.893 661 H ILE 86 HN ILE 86 4.568 8.791 -0.636 662 HA ILE 86 HA ILE 86 3.692 9.743 -3.240 663 HB ILE 86 HB ILE 86 2.095 9.348 -0.680 664 HG12 ILE 86 HG12 ILE 86 0.955 7.502 -2.107 665 HG13 ILE 86 HG11 ILE 86 2.401 7.587 -3.098 666 HG21 ILE 86 HG21 ILE 86 1.089 11.058 -2.017 667 HG22 ILE 86 HG22 ILE 86 0.086 9.604 -2.049 668 HG23 ILE 86 HG23 ILE 86 1.103 10.009 -3.434 669 HD11 ILE 86 HD11 ILE 86 2.531 5.768 -1.507 670 HD12 ILE 86 HD12 ILE 86 2.264 6.897 -0.180 671 HD13 ILE 86 HD13 ILE 86 3.752 6.992 -1.132 672 H GLU 87 HN GLU 87 3.575 11.798 -3.682 673 HA GLU 87 HA GLU 87 4.078 13.776 -1.577 674 HB2 GLU 87 HB2 GLU 87 3.951 14.211 -4.569 675 HB3 GLU 87 HB1 GLU 87 4.668 15.234 -3.330 676 HG2 GLU 87 HG2 GLU 87 6.475 13.808 -3.072 677 HG3 GLU 87 HG1 GLU 87 5.722 12.550 -4.054 678 H THR 88 HN THR 88 2.303 14.856 -0.877 679 HA THR 88 HA THR 88 0.094 15.100 -2.774 680 HB THR 88 HB THR 88 -0.562 13.813 -0.787 681 HG1 THR 88 HG1 THR 88 -2.426 14.952 -0.375 682 HG21 THR 88 HG21 THR 88 0.047 16.332 0.747 683 HG22 THR 88 HG22 THR 88 0.918 14.792 0.824 684 HG23 THR 88 HG23 THR 88 -0.748 14.887 1.395 685 H GLY 89 HN GLY 89 -0.825 17.021 -3.092 686 HA2 GLY 89 HA2 GLY 89 -0.423 19.368 -1.719 687 HA3 GLY 89 HA1 GLY 89 0.871 19.252 -2.914 688 HA PRO 90 HA PRO 90 -2.473 21.301 -5.160 689 HB2 PRO 90 HB2 PRO 90 -0.938 22.213 -7.202 690 HB3 PRO 90 HB1 PRO 90 -1.029 23.009 -5.628 691 HG2 PRO 90 HG2 PRO 90 1.039 21.119 -6.670 692 HG3 PRO 90 HG1 PRO 90 1.263 22.641 -5.783 693 HD2 PRO 90 HD2 PRO 90 1.447 20.245 -4.594 694 HD3 PRO 90 HD1 PRO 90 0.781 21.655 -3.747 695 H LYS 91 HN LYS 91 -0.284 18.854 -6.393 696 HA LYS 91 HA LYS 91 -1.886 18.528 -8.802 697 HB2 LYS 91 HB2 LYS 91 0.548 16.994 -7.865 698 HB3 LYS 91 HB1 LYS 91 -0.272 16.749 -9.393 699 HG2 LYS 91 HG2 LYS 91 1.125 19.279 -8.537 700 HG3 LYS 91 HG1 LYS 91 1.735 18.070 -9.673 701 HD2 LYS 91 HD2 LYS 91 -0.200 18.522 -11.143 702 HD3 LYS 91 HD1 LYS 91 -0.730 19.776 -10.023 703 HE2 LYS 91 HE2 LYS 91 0.462 20.773 -11.885 704 HE3 LYS 91 HE1 LYS 91 1.366 20.988 -10.391 705 HZ1 LYS 91 HZ1 LYS 91 2.806 20.351 -12.204 706 HZ2 LYS 91 HZ2 LYS 91 1.921 18.949 -12.483 707 HZ3 LYS 91 HZ3 LYS 91 2.786 19.132 -11.046 708 H GLY 92 HN GLY 92 -1.696 17.332 -5.693 709 HA2 GLY 92 HA2 GLY 92 -3.628 16.076 -4.892 710 HA3 GLY 92 HA1 GLY 92 -3.474 15.089 -6.349 711 H VAL 93 HN VAL 93 -3.195 13.232 -5.093 712 HA VAL 93 HA VAL 93 -0.610 13.152 -3.746 713 HB VAL 93 HB VAL 93 -1.307 11.211 -2.504 714 HG11 VAL 93 HG11 VAL 93 -3.223 11.923 -1.244 715 HG12 VAL 93 HG12 VAL 93 -3.660 13.039 -2.532 716 HG13 VAL 93 HG13 VAL 93 -2.177 13.298 -1.629 717 HG21 VAL 93 HG21 VAL 93 -2.502 9.998 -4.269 718 HG22 VAL 93 HG22 VAL 93 -3.870 11.100 -4.098 719 HG23 VAL 93 HG23 VAL 93 -3.421 10.030 -2.764 720 H LYS 94 HN LYS 94 1.016 12.122 -4.791 721 HA LYS 94 HA LYS 94 0.473 9.856 -6.452 722 HB2 LYS 94 HB2 LYS 94 1.272 10.649 -8.558 723 HB3 LYS 94 HB1 LYS 94 0.098 11.821 -8.013 724 HG2 LYS 94 HG2 LYS 94 3.102 12.125 -8.007 725 HG3 LYS 94 HG1 LYS 94 1.967 12.904 -9.097 726 HD2 LYS 94 HD2 LYS 94 0.991 14.053 -7.080 727 HD3 LYS 94 HD1 LYS 94 2.337 13.395 -6.146 728 HE2 LYS 94 HE2 LYS 94 2.455 15.316 -8.463 729 HE3 LYS 94 HE1 LYS 94 2.922 15.618 -6.796 730 HZ1 LYS 94 HZ1 LYS 94 4.815 15.317 -8.187 731 HZ2 LYS 94 HZ2 LYS 94 4.318 13.844 -8.746 732 HZ3 LYS 94 HZ3 LYS 94 4.821 14.018 -7.129 733 H ILE 95 HN ILE 95 2.356 8.685 -7.012 734 HA ILE 95 HA ILE 95 4.294 8.825 -4.935 735 HB ILE 95 HB ILE 95 4.123 7.018 -7.365 736 HG12 ILE 95 HG12 ILE 95 3.344 6.497 -4.494 737 HG13 ILE 95 HG11 ILE 95 2.200 6.858 -5.784 738 HG21 ILE 95 HG21 ILE 95 5.806 6.774 -4.867 739 HG22 ILE 95 HG22 ILE 95 6.406 7.107 -6.490 740 HG23 ILE 95 HG23 ILE 95 5.675 5.545 -6.129 741 HD11 ILE 95 HD11 ILE 95 2.273 4.488 -5.290 742 HD12 ILE 95 HD12 ILE 95 4.010 4.456 -5.605 743 HD13 ILE 95 HD13 ILE 95 2.883 4.795 -6.917 744 H LYS 96 HN LYS 96 6.221 9.677 -4.954 745 HA LYS 96 HA LYS 96 7.205 11.280 -7.092 746 HB2 LYS 96 HB2 LYS 96 7.598 11.922 -4.794 747 HB3 LYS 96 HB1 LYS 96 8.331 10.373 -4.442 748 HG2 LYS 96 HG2 LYS 96 10.244 10.946 -5.836 749 HG3 LYS 96 HG1 LYS 96 9.497 12.487 -6.246 750 HD2 LYS 96 HD2 LYS 96 9.871 11.757 -3.386 751 HD3 LYS 96 HD1 LYS 96 11.265 12.382 -4.295 752 HE2 LYS 96 HE2 LYS 96 8.586 13.737 -3.915 753 HE3 LYS 96 HE1 LYS 96 10.037 14.079 -2.976 754 HZ1 LYS 96 HZ1 LYS 96 11.127 14.786 -5.024 755 HZ2 LYS 96 HZ2 LYS 96 9.732 15.685 -4.752 756 HZ3 LYS 96 HZ3 LYS 96 9.734 14.473 -5.905 757 H GLY 97 HN GLY 97 8.268 10.515 -8.809 758 HA2 GLY 97 HA2 GLY 97 10.066 9.379 -9.850 759 HA3 GLY 97 HA1 GLY 97 10.139 8.286 -8.474 760 H CYS 98 HN CYS 98 7.050 8.902 -9.600 761 HA CYS 98 HA CYS 98 6.745 6.181 -10.509 762 HB2 CYS 98 HB2 CYS 98 5.112 7.413 -9.020 763 HB3 CYS 98 HB1 CYS 98 4.688 8.399 -10.410 764 HG CYS 98 HG CYS 98 2.987 6.766 -11.466 765 HA PRO 99 HA PRO 99 7.669 7.248 -14.798 766 HB2 PRO 99 HB2 PRO 99 5.881 4.903 -15.253 767 HB3 PRO 99 HB1 PRO 99 7.473 5.246 -15.939 768 HG2 PRO 99 HG2 PRO 99 7.242 3.472 -13.995 769 HG3 PRO 99 HG1 PRO 99 8.588 4.624 -13.994 770 HD2 PRO 99 HD2 PRO 99 6.105 4.620 -12.329 771 HD3 PRO 99 HD1 PRO 99 7.765 5.083 -11.902 772 H SER 100 HN SER 100 4.401 6.702 -13.640 773 HA SER 100 HA SER 100 3.427 8.718 -15.450 774 HB2 SER 100 HB2 SER 100 2.028 6.050 -15.032 775 HB3 SER 100 HB1 SER 100 1.453 7.398 -16.000 776 HG SER 100 HG SER 100 3.853 6.824 -16.922 777 H GLU 101 HN GLU 101 2.489 10.116 -14.122 778 HA GLU 101 HA GLU 101 1.789 9.268 -11.433 779 HB2 GLU 101 HB2 GLU 101 1.805 11.938 -12.741 780 HB3 GLU 101 HB1 GLU 101 1.505 11.637 -11.018 781 HG2 GLU 101 HG2 GLU 101 3.787 10.822 -10.771 782 HG3 GLU 101 HG1 GLU 101 4.068 11.049 -12.497 783 HA PRO 102 HA PRO 102 -2.400 9.042 -13.025 784 HB2 PRO 102 HB2 PRO 102 -3.492 7.704 -11.007 785 HB3 PRO 102 HB1 PRO 102 -2.297 6.998 -12.121 786 HG2 PRO 102 HG2 PRO 102 -1.861 8.042 -9.348 787 HG3 PRO 102 HG1 PRO 102 -1.292 6.525 -10.063 788 HD2 PRO 102 HD2 PRO 102 0.217 8.812 -9.882 789 HD3 PRO 102 HD1 PRO 102 0.473 7.542 -11.098 790 H TYR 103 HN TYR 103 -1.421 10.472 -10.368 791 HA TYR 103 HA TYR 103 -2.155 11.964 -8.718 792 HB2 TYR 103 HB2 TYR 103 -3.776 13.026 -11.016 793 HB3 TYR 103 HB1 TYR 103 -3.345 13.871 -9.525 794 HD1 TYR 103 HD2 TYR 103 -0.829 14.280 -9.101 795 HD2 TYR 103 HD1 TYR 103 -2.438 13.161 -12.876 796 HE1 TYR 103 HE2 TYR 103 1.194 15.097 -10.207 797 HE2 TYR 103 HE1 TYR 103 -0.437 13.975 -13.992 798 HH TYR 103 HH TYR 103 2.415 14.564 -12.493 799 H PHE 104 HN PHE 104 -3.306 10.946 -7.160 800 HA PHE 104 HA PHE 104 -6.222 10.752 -7.549 801 HB2 PHE 104 HB2 PHE 104 -4.364 9.116 -5.820 802 HB3 PHE 104 HB1 PHE 104 -6.105 9.135 -5.586 803 HD1 PHE 104 HD1 PHE 104 -7.588 8.228 -7.332 804 HD2 PHE 104 HD2 PHE 104 -3.366 7.867 -7.574 805 HE1 PHE 104 HE1 PHE 104 -7.842 6.422 -8.980 806 HE2 PHE 104 HE2 PHE 104 -3.618 6.059 -9.220 807 HZ PHE 104 HZ PHE 104 -5.849 5.337 -9.923 808 H GLY 105 HN GLY 105 -7.263 10.810 -5.233 809 HA2 GLY 105 HA2 GLY 105 -6.137 13.184 -3.894 810 HA3 GLY 105 HA1 GLY 105 -7.859 12.833 -3.984 811 H SER 106 HN SER 106 -7.429 9.976 -3.434 812 HA SER 106 HA SER 106 -6.824 10.163 -0.568 813 HB2 SER 106 HB2 SER 106 -8.694 8.232 -1.976 814 HB3 SER 106 HB1 SER 106 -8.501 8.451 -0.240 815 HG SER 106 HG SER 106 -9.214 10.618 -0.527 816 H LEU 107 HN LEU 107 -5.530 8.486 0.304 817 HA LEU 107 HA LEU 107 -3.602 7.398 -1.434 818 HB2 LEU 107 HB2 LEU 107 -4.206 6.901 1.455 819 HB3 LEU 107 HB1 LEU 107 -2.950 6.005 0.630 820 HG LEU 107 HG LEU 107 -3.002 9.009 0.994 821 HD11 LEU 107 HD11 LEU 107 -1.367 6.883 2.353 822 HD12 LEU 107 HD12 LEU 107 -2.656 7.833 3.095 823 HD13 LEU 107 HD13 LEU 107 -1.173 8.623 2.554 824 HD21 LEU 107 HD21 LEU 107 -0.687 8.885 0.195 825 HD22 LEU 107 HD22 LEU 107 -1.833 8.374 -1.035 826 HD23 LEU 107 HD23 LEU 107 -0.903 7.167 -0.142 827 H SER 108 HN SER 108 -6.402 5.897 0.108 828 HA SER 108 HA SER 108 -5.761 3.265 -0.556 829 HB2 SER 108 HB2 SER 108 -7.482 3.974 1.117 830 HB3 SER 108 HB1 SER 108 -8.538 4.420 -0.225 831 HG SER 108 HG SER 108 -8.692 2.258 0.829 832 H ALA 109 HN ALA 109 -7.183 5.822 -2.425 833 HA ALA 109 HA ALA 109 -8.295 4.306 -4.514 834 HB1 ALA 109 HB1 ALA 109 -8.271 6.385 -5.808 835 HB2 ALA 109 HB2 ALA 109 -7.180 7.120 -4.645 836 HB3 ALA 109 HB3 ALA 109 -8.821 6.697 -4.163 837 H LEU 110 HN LEU 110 -5.032 5.687 -4.062 838 HA LEU 110 HA LEU 110 -4.214 4.594 -6.578 839 HB2 LEU 110 HB2 LEU 110 -1.903 5.325 -6.021 840 HB3 LEU 110 HB1 LEU 110 -3.074 6.607 -5.958 841 HG LEU 110 HG LEU 110 -3.002 6.363 -3.412 842 HD11 LEU 110 HD11 LEU 110 -0.499 4.787 -4.028 843 HD12 LEU 110 HD12 LEU 110 -1.964 4.172 -3.255 844 HD13 LEU 110 HD13 LEU 110 -0.994 5.389 -2.442 845 HD21 LEU 110 HD21 LEU 110 -1.959 8.159 -4.666 846 HD22 LEU 110 HD22 LEU 110 -0.490 7.192 -4.837 847 HD23 LEU 110 HD23 LEU 110 -1.021 7.721 -3.240 848 H VAL 111 HN VAL 111 -4.186 3.589 -3.326 849 HA VAL 111 HA VAL 111 -2.354 1.523 -3.515 850 HB VAL 111 HB VAL 111 -4.727 1.890 -1.661 851 HG11 VAL 111 HG11 VAL 111 -2.569 -0.205 -1.468 852 HG12 VAL 111 HG12 VAL 111 -4.264 -0.491 -1.857 853 HG13 VAL 111 HG13 VAL 111 -3.817 0.118 -0.261 854 HG21 VAL 111 HG21 VAL 111 -3.003 2.392 0.005 855 HG22 VAL 111 HG22 VAL 111 -2.918 3.489 -1.370 856 HG23 VAL 111 HG23 VAL 111 -1.754 2.171 -1.221 857 H SER 112 HN SER 112 -5.877 1.512 -3.853 858 HA SER 112 HA SER 112 -6.109 -1.217 -4.321 859 HB2 SER 112 HB2 SER 112 -7.942 0.367 -3.557 860 HB3 SER 112 HB1 SER 112 -8.062 0.916 -5.223 861 HG SER 112 HG SER 112 -8.146 -1.808 -4.804 862 H GLN 113 HN GLN 113 -5.282 1.392 -6.467 863 HA GLN 113 HA GLN 113 -5.868 -0.206 -8.796 864 HB2 GLN 113 HB2 GLN 113 -4.580 2.517 -8.632 865 HB3 GLN 113 HB1 GLN 113 -5.007 1.693 -10.125 866 HG2 GLN 113 HG2 GLN 113 -6.929 2.610 -7.981 867 HG3 GLN 113 HG1 GLN 113 -6.662 3.380 -9.538 868 HE21 GLN 113 HE21 GLN 113 -8.794 3.179 -10.148 869 HE22 GLN 113 HE22 GLN 113 -9.531 1.669 -10.533 870 H HIS 114 HN HIS 114 -3.076 0.586 -6.883 871 HA HIS 114 HA HIS 114 -1.221 -0.449 -8.803 872 HB2 HIS 114 HB2 HIS 114 -0.923 0.416 -5.946 873 HB3 HIS 114 HB1 HIS 114 0.367 -0.493 -6.724 874 HD1 HIS 114 HD1 HIS 114 -1.458 2.802 -7.013 875 HD2 HIS 114 HD2 HIS 114 1.992 0.947 -8.368 876 HE1 HIS 114 HE1 HIS 114 -0.112 4.587 -8.231 877 H SER 115 HN SER 115 -3.408 -1.929 -6.813 878 HA SER 115 HA SER 115 -2.070 -4.370 -6.304 879 HB2 SER 115 HB2 SER 115 -5.014 -3.891 -6.768 880 HB3 SER 115 HB1 SER 115 -4.284 -5.217 -5.858 881 HG SER 115 HG SER 115 -3.359 -3.427 -4.550 882 H ILE 116 HN ILE 116 -3.693 -2.917 -9.011 883 HA ILE 116 HA ILE 116 -3.578 -5.402 -10.538 884 HB ILE 116 HB ILE 116 -4.984 -2.789 -11.182 885 HG12 ILE 116 HG12 ILE 116 -6.082 -5.472 -10.294 886 HG13 ILE 116 HG11 ILE 116 -6.025 -4.003 -9.332 887 HG21 ILE 116 HG21 ILE 116 -6.026 -4.017 -13.033 888 HG22 ILE 116 HG22 ILE 116 -5.042 -5.429 -12.655 889 HG23 ILE 116 HG23 ILE 116 -4.272 -3.944 -13.213 890 HD11 ILE 116 HD11 ILE 116 -7.640 -4.415 -11.841 891 HD12 ILE 116 HD12 ILE 116 -7.584 -2.938 -10.880 892 HD13 ILE 116 HD13 ILE 116 -8.259 -4.412 -10.189 893 H SER 117 HN SER 117 -2.763 -1.931 -10.846 894 HA SER 117 HA SER 117 -0.661 -2.770 -12.689 895 HB2 SER 117 HB2 SER 117 -2.229 -0.202 -12.751 896 HB3 SER 117 HB1 SER 117 -0.933 -0.638 -13.863 897 HG SER 117 HG SER 117 -2.224 -2.523 -14.351 898 HA PRO 118 HA PRO 118 1.618 -0.628 -9.464 899 HB2 PRO 118 HB2 PRO 118 3.898 -2.108 -9.757 900 HB3 PRO 118 HB1 PRO 118 2.566 -2.596 -8.703 901 HG2 PRO 118 HG2 PRO 118 3.296 -3.574 -11.417 902 HG3 PRO 118 HG1 PRO 118 2.611 -4.463 -10.048 903 HD2 PRO 118 HD2 PRO 118 1.174 -3.585 -12.220 904 HD3 PRO 118 HD1 PRO 118 0.471 -3.929 -10.633 905 H ILE 119 HN ILE 119 1.873 1.286 -10.575 906 HA ILE 119 HA ILE 119 3.254 1.438 -13.081 907 HB ILE 119 HB ILE 119 2.598 3.766 -11.246 908 HG12 ILE 119 HG12 ILE 119 0.896 2.601 -13.473 909 HG13 ILE 119 HG11 ILE 119 0.553 2.426 -11.757 910 HG21 ILE 119 HG21 ILE 119 4.189 4.235 -13.056 911 HG22 ILE 119 HG22 ILE 119 2.665 5.078 -13.299 912 HG23 ILE 119 HG23 ILE 119 3.025 3.624 -14.237 913 HD11 ILE 119 HD11 ILE 119 -0.834 4.160 -12.769 914 HD12 ILE 119 HD12 ILE 119 0.605 5.037 -13.290 915 HD13 ILE 119 HD13 ILE 119 0.256 4.871 -11.581 916 H SER 120 HN SER 120 3.977 2.850 -9.898 917 HA SER 120 HA SER 120 6.734 3.261 -10.660 918 HB2 SER 120 HB2 SER 120 5.410 4.872 -9.247 919 HB3 SER 120 HB1 SER 120 5.395 3.662 -7.974 920 HG SER 120 HG SER 120 7.927 4.020 -8.775 921 H LEU 121 HN LEU 121 4.833 1.028 -8.925 922 HA LEU 121 HA LEU 121 6.942 -0.150 -7.401 923 HB2 LEU 121 HB2 LEU 121 4.032 -0.763 -7.797 924 HB3 LEU 121 HB1 LEU 121 5.075 -1.827 -6.892 925 HG LEU 121 HG LEU 121 5.436 -0.094 -5.200 926 HD11 LEU 121 HD11 LEU 121 5.324 1.890 -6.591 927 HD12 LEU 121 HD12 LEU 121 4.216 1.992 -5.217 928 HD13 LEU 121 HD13 LEU 121 3.593 1.631 -6.832 929 HD21 LEU 121 HD21 LEU 121 3.536 -1.566 -4.948 930 HD22 LEU 121 HD22 LEU 121 2.561 -0.466 -5.916 931 HD23 LEU 121 HD23 LEU 121 3.183 0.061 -4.352 932 HA PRO 122 HA PRO 122 7.876 -3.252 -10.493 933 HB2 PRO 122 HB2 PRO 122 9.494 -4.824 -9.014 934 HB3 PRO 122 HB1 PRO 122 10.001 -3.216 -9.560 935 HG2 PRO 122 HG2 PRO 122 9.024 -4.106 -6.893 936 HG3 PRO 122 HG1 PRO 122 10.307 -2.941 -7.278 937 HD2 PRO 122 HD2 PRO 122 7.722 -2.287 -6.532 938 HD3 PRO 122 HD1 PRO 122 8.815 -1.217 -7.429 939 H CYS 123 HN CYS 123 6.331 -3.904 -7.486 940 HA CYS 123 HA CYS 123 5.290 -6.448 -8.494 941 HB2 CYS 123 HB2 CYS 123 6.036 -5.803 -5.616 942 HB3 CYS 123 HB1 CYS 123 5.257 -7.281 -6.157 943 HG CYS 123 HG CYS 123 7.565 -7.809 -7.895 944 H CYS 124 HN CYS 124 3.149 -6.915 -7.502 945 HA CYS 124 HA CYS 124 1.513 -4.607 -7.722 946 HB2 CYS 124 HB2 CYS 124 0.806 -7.434 -6.926 947 HB3 CYS 124 HB1 CYS 124 -0.325 -6.184 -7.433 948 HG CYS 124 HG CYS 124 2.047 -7.707 -9.342 949 H LEU 125 HN LEU 125 0.376 -3.592 -6.179 950 HA LEU 125 HA LEU 125 1.384 -3.779 -3.474 951 HB2 LEU 125 HB2 LEU 125 0.987 -1.649 -4.794 952 HB3 LEU 125 HB1 LEU 125 -0.723 -1.959 -4.624 953 HG LEU 125 HG LEU 125 -0.452 -1.808 -2.154 954 HD11 LEU 125 HD11 LEU 125 2.332 -0.956 -2.912 955 HD12 LEU 125 HD12 LEU 125 1.868 -2.392 -1.988 956 HD13 LEU 125 HD13 LEU 125 1.593 -0.791 -1.321 957 HD21 LEU 125 HD21 LEU 125 -0.250 0.596 -2.116 958 HD22 LEU 125 HD22 LEU 125 -1.178 0.053 -3.519 959 HD23 LEU 125 HD23 LEU 125 0.493 0.579 -3.720 960 H ARG 126 HN ARG 126 0.451 -5.432 -2.346 961 HA ARG 126 HA ARG 126 -2.418 -5.910 -2.776 962 HB2 ARG 126 HB2 ARG 126 -0.772 -7.676 -3.532 963 HB3 ARG 126 HB1 ARG 126 -0.320 -7.884 -1.851 964 HG2 ARG 126 HG2 ARG 126 -3.161 -8.215 -2.749 965 HG3 ARG 126 HG1 ARG 126 -1.989 -9.520 -2.900 966 HD2 ARG 126 HD2 ARG 126 -2.618 -8.079 -0.348 967 HD3 ARG 126 HD1 ARG 126 -3.370 -9.594 -0.850 968 HE ARG 126 HE ARG 126 -0.668 -10.003 -1.021 969 HH11 ARG 126 HH11 ARG 126 -2.880 -9.145 1.609 970 HH12 ARG 126 HH12 ARG 126 -1.921 -9.912 2.799 971 HH21 ARG 126 HH21 ARG 126 0.559 -10.996 0.542 972 HH22 ARG 126 HH22 ARG 126 0.110 -11.033 2.187 973 H ILE 127 HN ILE 127 -3.678 -5.402 -1.225 974 HA ILE 127 HA ILE 127 -2.770 -4.275 1.190 975 HB ILE 127 HB ILE 127 -5.603 -5.184 0.485 976 HG12 ILE 127 HG12 ILE 127 -6.057 -2.711 0.238 977 HG13 ILE 127 HG11 ILE 127 -4.333 -2.424 0.363 978 HG21 ILE 127 HG21 ILE 127 -5.337 -5.046 2.890 979 HG22 ILE 127 HG22 ILE 127 -6.359 -3.727 2.312 980 HG23 ILE 127 HG23 ILE 127 -4.672 -3.422 2.735 981 HD11 ILE 127 HD11 ILE 127 -3.992 -3.645 -1.724 982 HD12 ILE 127 HD12 ILE 127 -5.147 -2.328 -1.940 983 HD13 ILE 127 HD13 ILE 127 -5.717 -3.985 -1.808 984 HA PRO 128 HA PRO 128 -1.799 -7.904 3.539 985 HB2 PRO 128 HB2 PRO 128 -2.298 -6.003 5.780 986 HB3 PRO 128 HB1 PRO 128 -0.921 -7.074 5.501 987 HG2 PRO 128 HG2 PRO 128 -0.694 -4.474 5.043 988 HG3 PRO 128 HG1 PRO 128 0.038 -5.648 3.934 989 HD2 PRO 128 HD2 PRO 128 -2.449 -4.029 3.600 990 HD3 PRO 128 HD1 PRO 128 -1.218 -4.498 2.405 991 H SER 129 HN SER 129 -4.371 -5.751 4.795 992 HA SER 129 HA SER 129 -6.350 -6.061 5.745 993 HB2 SER 129 HB2 SER 129 -6.406 -8.655 4.207 994 HB3 SER 129 HB1 SER 129 -7.737 -7.649 4.816 995 HG SER 129 HG SER 129 -7.660 -6.758 2.960 996 H LYS 130 HN LYS 130 -3.908 -7.365 6.934 997 HA LYS 130 HA LYS 130 -5.109 -8.601 9.172 998 HB2 LYS 130 HB2 LYS 130 -5.053 -10.451 7.409 999 HB3 LYS 130 HB1 LYS 130 -3.312 -10.286 7.390 1000 HG2 LYS 130 HG2 LYS 130 -3.977 -12.212 8.714 1001 HG3 LYS 130 HG1 LYS 130 -3.206 -11.006 9.736 1002 HD2 LYS 130 HD2 LYS 130 -5.049 -11.791 10.974 1003 HD3 LYS 130 HD1 LYS 130 -5.565 -10.232 10.357 1004 HE2 LYS 130 HE2 LYS 130 -6.325 -12.946 9.232 1005 HE3 LYS 130 HE1 LYS 130 -7.348 -11.920 10.220 1006 HZ1 LYS 130 HZ1 LYS 130 -8.003 -11.669 7.993 1007 HZ2 LYS 130 HZ2 LYS 130 -6.463 -11.485 7.436 1008 HZ3 LYS 130 HZ3 LYS 130 -7.182 -10.237 8.339 1009 H ASP 131 HN ASP 131 -3.114 -9.392 10.558 1010 HA ASP 131 HA ASP 131 -1.421 -7.321 11.115 1011 HB2 ASP 131 HB2 ASP 131 -1.241 -10.252 11.721 1012 HB3 ASP 131 HB1 ASP 131 -0.041 -9.107 12.294 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -12.419 -5.649 29.145 2 H2 MET 1 HT2 MET 1 -13.167 -4.141 28.918 3 H3 MET 1 HT3 MET 1 -11.528 -4.220 29.145 4 HA MET 1 HA MET 1 -11.152 -5.228 27.101 5 HB2 MET 1 HB2 MET 1 -14.156 -5.255 26.914 6 HB3 MET 1 HB1 MET 1 -13.147 -5.307 25.477 7 HG2 MET 1 HG2 MET 1 -13.145 -7.311 27.722 8 HG3 MET 1 HG1 MET 1 -13.841 -7.525 26.116 9 HE1 MET 1 HE1 MET 1 -10.683 -9.871 26.125 10 HE2 MET 1 HE2 MET 1 -12.434 -9.800 25.923 11 HE3 MET 1 HE3 MET 1 -11.714 -9.500 27.505 12 H HIS 2 HN HIS 2 -11.234 -4.054 25.012 13 HA HIS 2 HA HIS 2 -10.742 -1.323 25.617 14 HB2 HIS 2 HB2 HIS 2 -10.703 -2.800 22.982 15 HB3 HIS 2 HB1 HIS 2 -10.227 -1.119 23.170 16 HD1 HIS 2 HD1 HIS 2 -7.759 -0.794 23.555 17 HD2 HIS 2 HD2 HIS 2 -9.054 -4.581 24.674 18 HE1 HIS 2 HE1 HIS 2 -5.706 -2.055 24.269 19 H HIS 3 HN HIS 3 -12.953 -2.734 23.215 20 HA HIS 3 HA HIS 3 -14.268 -0.150 23.046 21 HB2 HIS 3 HB2 HIS 3 -14.732 -2.684 21.456 22 HB3 HIS 3 HB1 HIS 3 -15.482 -1.127 21.136 23 HD1 HIS 3 HD1 HIS 3 -12.576 -3.127 20.210 24 HD2 HIS 3 HD2 HIS 3 -13.517 0.919 20.421 25 HE1 HIS 3 HE1 HIS 3 -10.804 -1.927 18.904 26 H HIS 4 HN HIS 4 -15.204 -3.516 23.571 27 HA HIS 4 HA HIS 4 -17.132 -2.922 25.534 28 HB2 HIS 4 HB2 HIS 4 -19.063 -3.854 24.105 29 HB3 HIS 4 HB1 HIS 4 -18.565 -2.215 23.713 30 HD1 HIS 4 HD1 HIS 4 -17.896 -1.793 21.266 31 HD2 HIS 4 HD2 HIS 4 -18.218 -5.837 22.178 32 HE1 HIS 4 HE1 HIS 4 -17.678 -3.018 19.087 33 H HIS 5 HN HIS 5 -18.425 -5.235 25.710 34 HA HIS 5 HA HIS 5 -16.452 -7.266 25.938 35 HB2 HIS 5 HB2 HIS 5 -19.483 -7.519 25.765 36 HB3 HIS 5 HB1 HIS 5 -18.401 -8.835 26.196 37 HD1 HIS 5 HD1 HIS 5 -20.231 -5.987 27.643 38 HD2 HIS 5 HD2 HIS 5 -17.077 -8.457 28.716 39 HE1 HIS 5 HE1 HIS 5 -19.956 -5.709 30.110 40 H HIS 6 HN HIS 6 -15.566 -8.372 24.333 41 HA HIS 6 HA HIS 6 -16.313 -7.591 21.696 42 HB2 HIS 6 HB2 HIS 6 -14.055 -9.349 22.627 43 HB3 HIS 6 HB1 HIS 6 -14.292 -8.859 20.956 44 HD1 HIS 6 HD1 HIS 6 -11.897 -8.113 23.115 45 HD2 HIS 6 HD2 HIS 6 -14.832 -5.629 21.546 46 HE1 HIS 6 HE1 HIS 6 -10.981 -5.772 23.271 47 H HIS 7 HN HIS 7 -17.973 -9.618 23.223 48 HA HIS 7 HA HIS 7 -17.956 -11.856 21.362 49 HB2 HIS 7 HB2 HIS 7 -19.861 -11.193 23.624 50 HB3 HIS 7 HB1 HIS 7 -19.912 -12.664 22.662 51 HD1 HIS 7 HD1 HIS 7 -19.053 -11.865 25.885 52 HD2 HIS 7 HD2 HIS 7 -16.950 -13.736 22.834 53 HE1 HIS 7 HE1 HIS 7 -17.263 -13.211 26.991 54 H SER 8 HN SER 8 -19.144 -11.894 19.560 55 HA SER 8 HA SER 8 -20.569 -11.339 17.937 56 HB2 SER 8 HB2 SER 8 -22.110 -9.948 20.147 57 HB3 SER 8 HB1 SER 8 -22.730 -10.217 18.515 58 HG SER 8 HG SER 8 -21.740 -12.494 19.553 59 H SER 9 HN SER 9 -18.331 -9.658 18.907 60 HA SER 9 HA SER 9 -18.886 -6.925 18.351 61 HB2 SER 9 HB2 SER 9 -17.019 -7.814 19.806 62 HB3 SER 9 HB1 SER 9 -16.228 -8.392 18.349 63 HG SER 9 HG SER 9 -16.842 -5.736 19.069 64 H GLY 10 HN GLY 10 -17.366 -9.621 16.616 65 HA2 GLY 10 HA2 GLY 10 -18.271 -9.548 14.197 66 HA3 GLY 10 HA1 GLY 10 -17.335 -8.057 14.167 67 H LEU 11 HN LEU 11 -16.614 -9.879 12.406 68 HA LEU 11 HA LEU 11 -14.320 -11.286 13.552 69 HB2 LEU 11 HB2 LEU 11 -15.538 -11.469 10.791 70 HB3 LEU 11 HB1 LEU 11 -14.178 -12.403 11.373 71 HG LEU 11 HG LEU 11 -17.016 -12.604 12.359 72 HD11 LEU 11 HD11 LEU 11 -16.912 -14.833 11.369 73 HD12 LEU 11 HD12 LEU 11 -15.299 -14.479 10.755 74 HD13 LEU 11 HD13 LEU 11 -16.689 -13.565 10.164 75 HD21 LEU 11 HD21 LEU 11 -16.194 -14.518 13.675 76 HD22 LEU 11 HD22 LEU 11 -15.462 -13.004 14.190 77 HD23 LEU 11 HD23 LEU 11 -14.542 -14.130 13.191 78 H VAL 12 HN VAL 12 -12.675 -10.017 13.681 79 HA VAL 12 HA VAL 12 -11.221 -8.343 13.383 80 HB VAL 12 HB VAL 12 -11.888 -8.489 10.400 81 HG11 VAL 12 HG11 VAL 12 -10.708 -6.443 11.004 82 HG12 VAL 12 HG12 VAL 12 -9.677 -7.499 10.038 83 HG13 VAL 12 HG13 VAL 12 -9.441 -7.393 11.782 84 HG21 VAL 12 HG21 VAL 12 -9.911 -9.937 10.162 85 HG22 VAL 12 HG22 VAL 12 -11.142 -10.670 11.195 86 HG23 VAL 12 HG23 VAL 12 -9.712 -9.930 11.915 87 HA PRO 13 HA PRO 13 -14.939 -5.655 13.647 88 HB2 PRO 13 HB2 PRO 13 -13.302 -4.527 15.851 89 HB3 PRO 13 HB1 PRO 13 -14.997 -5.013 15.855 90 HG2 PRO 13 HG2 PRO 13 -13.190 -6.526 17.061 91 HG3 PRO 13 HG1 PRO 13 -14.487 -7.270 16.107 92 HD2 PRO 13 HD2 PRO 13 -11.622 -6.800 15.350 93 HD3 PRO 13 HD1 PRO 13 -12.633 -8.240 15.096 94 H ARG 14 HN ARG 14 -14.861 -4.316 12.029 95 HA ARG 14 HA ARG 14 -13.256 -1.915 12.239 96 HB2 ARG 14 HB2 ARG 14 -12.413 -2.050 9.980 97 HB3 ARG 14 HB1 ARG 14 -11.964 -3.548 10.785 98 HG2 ARG 14 HG2 ARG 14 -13.795 -4.710 9.706 99 HG3 ARG 14 HG1 ARG 14 -14.326 -3.212 8.942 100 HD2 ARG 14 HD2 ARG 14 -12.073 -3.112 7.840 101 HD3 ARG 14 HD1 ARG 14 -11.782 -4.741 8.447 102 HE ARG 14 HE ARG 14 -14.248 -4.525 7.054 103 HH11 ARG 14 HH11 ARG 14 -10.777 -5.092 6.588 104 HH12 ARG 14 HH12 ARG 14 -10.953 -5.652 5.005 105 HH21 ARG 14 HH21 ARG 14 -14.477 -5.342 4.898 106 HH22 ARG 14 HH22 ARG 14 -13.106 -5.858 4.035 107 H GLY 15 HN GLY 15 -14.103 -0.383 10.477 108 HA2 GLY 15 HA2 GLY 15 -16.895 -1.025 9.902 109 HA3 GLY 15 HA1 GLY 15 -16.349 0.594 10.337 110 H SER 16 HN SER 16 -15.830 1.917 8.771 111 HA SER 16 HA SER 16 -15.652 0.848 6.074 112 HB2 SER 16 HB2 SER 16 -16.031 3.324 5.506 113 HB3 SER 16 HB1 SER 16 -17.373 2.464 6.272 114 HG SER 16 HG SER 16 -16.546 4.649 7.122 115 H ASP 17 HN ASP 17 -13.619 1.334 8.328 116 HA ASP 17 HA ASP 17 -11.602 2.795 6.761 117 HB2 ASP 17 HB2 ASP 17 -11.958 3.449 9.150 118 HB3 ASP 17 HB1 ASP 17 -11.343 1.868 9.624 119 H THR 18 HN THR 18 -10.655 1.471 5.426 120 HA THR 18 HA THR 18 -9.653 -1.045 6.468 121 HB THR 18 HB THR 18 -9.503 -1.581 3.957 122 HG1 THR 18 HG1 THR 18 -11.440 -0.133 3.075 123 HG21 THR 18 HG21 THR 18 -12.202 -1.094 5.215 124 HG22 THR 18 HG22 THR 18 -11.208 -2.531 5.449 125 HG23 THR 18 HG23 THR 18 -11.895 -2.184 3.859 126 H SER 19 HN SER 19 -8.663 1.788 6.635 127 HA SER 19 HA SER 19 -6.392 1.857 4.854 128 HB2 SER 19 HB2 SER 19 -7.302 3.889 6.872 129 HB3 SER 19 HB1 SER 19 -6.239 4.142 5.488 130 HG SER 19 HG SER 19 -8.112 3.427 4.197 131 H LYS 20 HN LYS 20 -7.183 1.843 8.345 132 HA LYS 20 HA LYS 20 -4.484 2.124 9.157 133 HB2 LYS 20 HB2 LYS 20 -5.122 1.790 11.418 134 HB3 LYS 20 HB1 LYS 20 -6.452 2.631 10.655 135 HG2 LYS 20 HG2 LYS 20 -6.397 -0.337 11.215 136 HG3 LYS 20 HG1 LYS 20 -7.117 0.869 12.272 137 HD2 LYS 20 HD2 LYS 20 -8.668 1.488 10.461 138 HD3 LYS 20 HD1 LYS 20 -7.950 0.242 9.447 139 HE2 LYS 20 HE2 LYS 20 -10.036 -0.514 10.505 140 HE3 LYS 20 HE1 LYS 20 -8.641 -1.474 10.991 141 HZ1 LYS 20 HZ1 LYS 20 -8.550 -0.234 13.050 142 HZ2 LYS 20 HZ2 LYS 20 -10.036 -0.966 12.872 143 HZ3 LYS 20 HZ3 LYS 20 -9.882 0.697 12.613 144 H PHE 21 HN PHE 21 -5.804 -0.481 7.732 145 HA PHE 21 HA PHE 21 -4.286 -2.499 9.102 146 HB2 PHE 21 HB2 PHE 21 -5.686 -2.600 6.417 147 HB3 PHE 21 HB1 PHE 21 -4.924 -3.979 7.205 148 HD1 PHE 21 HD1 PHE 21 -5.814 -4.777 9.396 149 HD2 PHE 21 HD2 PHE 21 -7.838 -1.923 6.995 150 HE1 PHE 21 HE1 PHE 21 -7.888 -5.229 10.634 151 HE2 PHE 21 HE2 PHE 21 -9.929 -2.363 8.231 152 HZ PHE 21 HZ PHE 21 -9.949 -4.017 10.052 153 H TRP 22 HN TRP 22 -3.735 -0.186 6.671 154 HA TRP 22 HA TRP 22 -1.091 -1.313 6.329 155 HB2 TRP 22 HB2 TRP 22 -1.047 -0.193 4.015 156 HB3 TRP 22 HB1 TRP 22 -1.938 -1.690 4.191 157 HD1 TRP 22 HD1 TRP 22 -4.474 -1.654 3.622 158 HE1 TRP 22 HE1 TRP 22 -6.069 0.096 2.651 159 HE3 TRP 22 HE3 TRP 22 -1.514 2.512 4.074 160 HZ2 TRP 22 HZ2 TRP 22 -6.078 2.883 2.114 161 HZ3 TRP 22 HZ3 TRP 22 -2.410 4.659 3.313 162 HH2 TRP 22 HH2 TRP 22 -4.639 4.837 2.359 163 H TYR 23 HN TYR 23 -2.959 1.555 6.869 164 HA TYR 23 HA TYR 23 -0.537 3.145 6.841 165 HB2 TYR 23 HB2 TYR 23 -2.703 3.966 5.808 166 HB3 TYR 23 HB1 TYR 23 -3.341 4.079 7.445 167 HD1 TYR 23 HD1 TYR 23 -0.989 5.455 5.050 168 HD2 TYR 23 HD2 TYR 23 -2.507 5.796 8.994 169 HE1 TYR 23 HE1 TYR 23 0.088 7.617 5.254 170 HE2 TYR 23 HE2 TYR 23 -1.428 7.997 9.219 171 HH TYR 23 HH TYR 23 -0.224 9.652 6.566 172 H LYS 24 HN LYS 24 0.563 3.381 8.572 173 HA LYS 24 HA LYS 24 -0.701 4.041 11.013 174 HB2 LYS 24 HB2 LYS 24 0.676 2.404 12.425 175 HB3 LYS 24 HB1 LYS 24 -0.754 1.781 11.633 176 HG2 LYS 24 HG2 LYS 24 1.908 1.437 10.317 177 HG3 LYS 24 HG1 LYS 24 1.498 0.426 11.703 178 HD2 LYS 24 HD2 LYS 24 -0.588 -0.242 10.499 179 HD3 LYS 24 HD1 LYS 24 -0.002 0.646 9.091 180 HE2 LYS 24 HE2 LYS 24 1.914 -0.787 8.907 181 HE3 LYS 24 HE1 LYS 24 1.531 -1.575 10.434 182 HZ1 LYS 24 HZ1 LYS 24 0.873 -2.953 8.573 183 HZ2 LYS 24 HZ2 LYS 24 -0.087 -1.755 7.932 184 HZ3 LYS 24 HZ3 LYS 24 -0.483 -2.454 9.416 185 HA PRO 25 HA PRO 25 2.857 6.663 10.471 186 HB2 PRO 25 HB2 PRO 25 1.982 8.704 11.970 187 HB3 PRO 25 HB1 PRO 25 1.267 8.340 10.394 188 HG2 PRO 25 HG2 PRO 25 0.264 7.641 13.130 189 HG3 PRO 25 HG1 PRO 25 -0.635 8.285 11.744 190 HD2 PRO 25 HD2 PRO 25 -0.609 5.643 12.430 191 HD3 PRO 25 HD1 PRO 25 -0.843 6.220 10.767 192 H HIS 26 HN HIS 26 2.605 4.615 12.742 193 HA HIS 26 HA HIS 26 4.185 5.995 14.792 194 HB2 HIS 26 HB2 HIS 26 2.931 3.229 14.838 195 HB3 HIS 26 HB1 HIS 26 3.870 3.916 16.153 196 HD1 HIS 26 HD1 HIS 26 2.623 5.545 17.756 197 HD2 HIS 26 HD2 HIS 26 0.367 4.356 14.468 198 HE1 HIS 26 HE1 HIS 26 0.288 6.349 18.186 199 H LEU 27 HN LEU 27 4.505 4.162 12.074 200 HA LEU 27 HA LEU 27 6.944 2.786 12.849 201 HB2 LEU 27 HB2 LEU 27 5.195 2.684 10.401 202 HB3 LEU 27 HB1 LEU 27 6.805 2.017 10.385 203 HG LEU 27 HG LEU 27 5.054 0.307 10.665 204 HD11 LEU 27 HD11 LEU 27 6.029 -0.881 12.550 205 HD12 LEU 27 HD12 LEU 27 6.850 0.601 13.045 206 HD13 LEU 27 HD13 LEU 27 7.250 -0.156 11.506 207 HD21 LEU 27 HD21 LEU 27 3.422 1.597 11.948 208 HD22 LEU 27 HD22 LEU 27 4.538 1.619 13.317 209 HD23 LEU 27 HD23 LEU 27 3.849 0.090 12.770 210 H SER 28 HN SER 28 8.848 3.590 12.422 211 HA SER 28 HA SER 28 9.152 5.857 10.636 212 HB2 SER 28 HB2 SER 28 11.257 4.340 12.222 213 HB3 SER 28 HB1 SER 28 11.434 5.932 11.483 214 HG SER 28 HG SER 28 10.306 5.221 13.862 215 H ARG 29 HN ARG 29 11.302 5.514 9.144 216 HA ARG 29 HA ARG 29 10.569 3.661 7.204 217 HB2 ARG 29 HB2 ARG 29 11.831 5.586 6.547 218 HB3 ARG 29 HB1 ARG 29 13.162 5.153 7.607 219 HG2 ARG 29 HG2 ARG 29 13.801 3.334 6.207 220 HG3 ARG 29 HG1 ARG 29 12.325 3.474 5.254 221 HD2 ARG 29 HD2 ARG 29 14.349 4.381 4.125 222 HD3 ARG 29 HD1 ARG 29 13.048 5.551 4.310 223 HE ARG 29 HE ARG 29 14.453 6.198 6.401 224 HH11 ARG 29 HH11 ARG 29 15.838 5.211 3.257 225 HH12 ARG 29 HH12 ARG 29 17.127 6.306 3.348 226 HH21 ARG 29 HH21 ARG 29 16.267 7.695 6.485 227 HH22 ARG 29 HH22 ARG 29 17.412 7.688 5.218 228 H ASP 30 HN ASP 30 13.139 3.445 9.606 229 HA ASP 30 HA ASP 30 14.122 0.931 8.740 230 HB2 ASP 30 HB2 ASP 30 15.342 2.546 10.230 231 HB3 ASP 30 HB1 ASP 30 14.265 2.060 11.536 232 H GLN 31 HN GLN 31 11.710 1.884 11.037 233 HA GLN 31 HA GLN 31 11.188 -0.651 12.228 234 HB2 GLN 31 HB2 GLN 31 9.375 1.736 11.921 235 HB3 GLN 31 HB1 GLN 31 9.063 0.383 12.986 236 HG2 GLN 31 HG2 GLN 31 11.000 0.957 14.317 237 HG3 GLN 31 HG1 GLN 31 11.415 2.256 13.199 238 HE21 GLN 31 HE21 GLN 31 8.156 1.458 14.237 239 HE22 GLN 31 HE22 GLN 31 7.870 2.918 15.093 240 H ALA 32 HN ALA 32 9.872 1.082 9.479 241 HA ALA 32 HA ALA 32 7.703 -0.551 8.819 242 HB1 ALA 32 HB1 ALA 32 9.532 0.983 6.985 243 HB2 ALA 32 HB2 ALA 32 8.131 1.659 7.813 244 HB3 ALA 32 HB3 ALA 32 7.917 0.413 6.573 245 H ILE 33 HN ILE 33 11.087 -0.713 7.939 246 HA ILE 33 HA ILE 33 10.937 -2.846 6.117 247 HB ILE 33 HB ILE 33 13.252 -2.050 7.909 248 HG12 ILE 33 HG12 ILE 33 12.660 -1.252 5.064 249 HG13 ILE 33 HG11 ILE 33 12.278 -0.262 6.470 250 HG21 ILE 33 HG21 ILE 33 14.665 -3.156 6.222 251 HG22 ILE 33 HG22 ILE 33 13.223 -3.626 5.322 252 HG23 ILE 33 HG23 ILE 33 13.516 -4.298 6.926 253 HD11 ILE 33 HD11 ILE 33 14.641 -0.170 7.020 254 HD12 ILE 33 HD12 ILE 33 14.268 0.501 5.437 255 HD13 ILE 33 HD13 ILE 33 15.013 -1.105 5.560 256 H ALA 34 HN ALA 34 11.637 -2.723 9.574 257 HA ALA 34 HA ALA 34 12.066 -5.473 9.954 258 HB1 ALA 34 HB1 ALA 34 11.056 -3.482 11.961 259 HB2 ALA 34 HB2 ALA 34 12.764 -3.761 11.557 260 HB3 ALA 34 HB3 ALA 34 11.799 -5.044 12.299 261 H LEU 35 HN LEU 35 9.202 -3.583 9.846 262 HA LEU 35 HA LEU 35 7.510 -5.586 11.012 263 HB2 LEU 35 HB2 LEU 35 7.329 -2.942 10.853 264 HB3 LEU 35 HB1 LEU 35 6.512 -3.307 9.356 265 HG LEU 35 HG LEU 35 4.924 -2.892 11.148 266 HD11 LEU 35 HD11 LEU 35 4.949 -5.783 10.336 267 HD12 LEU 35 HD12 LEU 35 4.232 -4.443 9.440 268 HD13 LEU 35 HD13 LEU 35 3.566 -4.916 11.007 269 HD21 LEU 35 HD21 LEU 35 4.782 -4.344 13.095 270 HD22 LEU 35 HD22 LEU 35 6.369 -3.555 12.989 271 HD23 LEU 35 HD23 LEU 35 6.194 -5.241 12.533 272 H LEU 36 HN LEU 36 8.096 -4.262 7.781 273 HA LEU 36 HA LEU 36 6.146 -5.957 6.532 274 HB2 LEU 36 HB2 LEU 36 6.768 -3.587 5.942 275 HB3 LEU 36 HB1 LEU 36 8.211 -4.253 5.216 276 HG LEU 36 HG LEU 36 6.711 -5.671 3.789 277 HD11 LEU 36 HD11 LEU 36 4.427 -4.941 3.466 278 HD12 LEU 36 HD12 LEU 36 4.603 -3.775 4.774 279 HD13 LEU 36 HD13 LEU 36 4.678 -5.504 5.118 280 HD21 LEU 36 HD21 LEU 36 6.561 -2.686 3.539 281 HD22 LEU 36 HD22 LEU 36 6.246 -3.844 2.245 282 HD23 LEU 36 HD23 LEU 36 7.855 -3.731 2.956 283 H LYS 37 HN LYS 37 9.526 -6.269 7.232 284 HA LYS 37 HA LYS 37 10.237 -7.952 5.097 285 HB2 LYS 37 HB2 LYS 37 12.091 -8.744 6.519 286 HB3 LYS 37 HB1 LYS 37 11.981 -6.988 6.491 287 HG2 LYS 37 HG2 LYS 37 10.803 -7.140 8.684 288 HG3 LYS 37 HG1 LYS 37 11.169 -8.867 8.693 289 HD2 LYS 37 HD2 LYS 37 13.221 -6.645 8.541 290 HD3 LYS 37 HD1 LYS 37 12.775 -7.494 10.017 291 HE2 LYS 37 HE2 LYS 37 13.966 -8.738 7.565 292 HE3 LYS 37 HE1 LYS 37 14.877 -8.304 9.009 293 HZ1 LYS 37 HZ1 LYS 37 12.697 -10.320 8.850 294 HZ2 LYS 37 HZ2 LYS 37 13.515 -9.905 10.258 295 HZ3 LYS 37 HZ3 LYS 37 14.340 -10.637 8.977 296 H ASP 38 HN ASP 38 8.549 -8.560 8.031 297 HA ASP 38 HA ASP 38 8.536 -11.435 7.747 298 HB2 ASP 38 HB2 ASP 38 8.475 -10.542 9.981 299 HB3 ASP 38 HB1 ASP 38 7.107 -9.514 9.595 300 H LYS 39 HN LYS 39 6.882 -8.877 6.363 301 HA LYS 39 HA LYS 39 4.384 -10.284 6.084 302 HB2 LYS 39 HB2 LYS 39 5.225 -7.577 5.069 303 HB3 LYS 39 HB1 LYS 39 3.621 -8.257 4.873 304 HG2 LYS 39 HG2 LYS 39 4.943 -7.597 7.513 305 HG3 LYS 39 HG1 LYS 39 3.717 -6.622 6.711 306 HD2 LYS 39 HD2 LYS 39 3.333 -9.448 7.736 307 HD3 LYS 39 HD1 LYS 39 2.781 -7.984 8.539 308 HE2 LYS 39 HE2 LYS 39 1.342 -7.478 6.604 309 HE3 LYS 39 HE1 LYS 39 1.884 -8.965 5.829 310 HZ1 LYS 39 HZ1 LYS 39 -0.218 -9.358 6.875 311 HZ2 LYS 39 HZ2 LYS 39 0.340 -8.754 8.355 312 HZ3 LYS 39 HZ3 LYS 39 0.957 -10.181 7.764 313 H ASP 40 HN ASP 40 3.381 -10.351 3.994 314 HA ASP 40 HA ASP 40 4.680 -12.150 2.312 315 HB2 ASP 40 HB2 ASP 40 2.229 -10.514 1.678 316 HB3 ASP 40 HB1 ASP 40 2.649 -12.105 1.059 317 HA PRO 41 HA PRO 41 6.421 -9.273 -0.735 318 HB2 PRO 41 HB2 PRO 41 6.132 -11.535 -2.647 319 HB3 PRO 41 HB1 PRO 41 7.579 -10.653 -2.168 320 HG2 PRO 41 HG2 PRO 41 7.155 -13.156 -1.352 321 HG3 PRO 41 HG1 PRO 41 7.939 -11.955 -0.309 322 HD2 PRO 41 HD2 PRO 41 5.099 -12.930 -0.262 323 HD3 PRO 41 HD1 PRO 41 6.223 -12.615 1.084 324 H GLY 42 HN GLY 42 5.081 -7.827 -1.388 325 HA2 GLY 42 HA2 GLY 42 3.451 -7.229 -3.154 326 HA3 GLY 42 HA1 GLY 42 2.510 -8.608 -2.579 327 H ALA 43 HN ALA 43 3.525 -7.938 0.206 328 HA ALA 43 HA ALA 43 1.301 -6.264 0.912 329 HB1 ALA 43 HB1 ALA 43 1.944 -8.176 2.352 330 HB2 ALA 43 HB2 ALA 43 1.969 -6.645 3.226 331 HB3 ALA 43 HB3 ALA 43 3.479 -7.373 2.699 332 H PHE 44 HN PHE 44 1.498 -4.346 2.173 333 HA PHE 44 HA PHE 44 3.968 -2.862 1.935 334 HB2 PHE 44 HB2 PHE 44 2.902 -1.043 0.732 335 HB3 PHE 44 HB1 PHE 44 2.752 -2.525 -0.204 336 HD1 PHE 44 HD1 PHE 44 0.533 -3.782 -0.101 337 HD2 PHE 44 HD2 PHE 44 0.998 0.210 1.293 338 HE1 PHE 44 HE1 PHE 44 -1.887 -3.460 -0.232 339 HE2 PHE 44 HE2 PHE 44 -1.433 0.537 1.164 340 HZ PHE 44 HZ PHE 44 -2.879 -1.306 0.410 341 H LEU 45 HN LEU 45 3.777 -0.862 3.130 342 HA LEU 45 HA LEU 45 1.356 -0.410 4.613 343 HB2 LEU 45 HB2 LEU 45 2.313 -0.217 6.785 344 HB3 LEU 45 HB1 LEU 45 2.817 -1.776 6.180 345 HG LEU 45 HG LEU 45 4.612 0.663 6.168 346 HD11 LEU 45 HD11 LEU 45 4.412 -1.553 8.208 347 HD12 LEU 45 HD12 LEU 45 3.953 0.134 8.458 348 HD13 LEU 45 HD13 LEU 45 5.640 -0.290 8.176 349 HD21 LEU 45 HD21 LEU 45 6.389 -0.962 5.918 350 HD22 LEU 45 HD22 LEU 45 5.183 -1.202 4.638 351 HD23 LEU 45 HD23 LEU 45 5.215 -2.271 6.035 352 H ILE 46 HN ILE 46 1.136 1.711 5.231 353 HA ILE 46 HA ILE 46 3.119 3.503 4.068 354 HB ILE 46 HB ILE 46 0.099 3.937 4.117 355 HG12 ILE 46 HG12 ILE 46 1.939 3.433 1.772 356 HG13 ILE 46 HG11 ILE 46 0.780 2.274 2.416 357 HG21 ILE 46 HG21 ILE 46 2.303 5.625 2.914 358 HG22 ILE 46 HG22 ILE 46 1.373 6.012 4.362 359 HG23 ILE 46 HG23 ILE 46 0.571 5.953 2.791 360 HD11 ILE 46 HD11 ILE 46 -0.037 3.357 0.366 361 HD12 ILE 46 HD12 ILE 46 0.078 4.937 1.152 362 HD13 ILE 46 HD13 ILE 46 -1.057 3.737 1.749 363 H ARG 47 HN ARG 47 3.676 5.147 5.336 364 HA ARG 47 HA ARG 47 2.202 5.665 7.790 365 HB2 ARG 47 HB2 ARG 47 4.093 5.451 9.245 366 HB3 ARG 47 HB1 ARG 47 4.058 3.975 8.303 367 HG2 ARG 47 HG2 ARG 47 5.812 6.319 7.638 368 HG3 ARG 47 HG1 ARG 47 6.324 5.003 8.692 369 HD2 ARG 47 HD2 ARG 47 6.075 3.443 6.860 370 HD3 ARG 47 HD1 ARG 47 5.442 4.730 5.827 371 HE ARG 47 HE ARG 47 7.821 5.664 6.710 372 HH11 ARG 47 HH11 ARG 47 6.802 2.801 4.927 373 HH12 ARG 47 HH12 ARG 47 8.291 2.629 4.101 374 HH21 ARG 47 HH21 ARG 47 9.801 5.486 5.503 375 HH22 ARG 47 HH22 ARG 47 10.008 4.165 4.439 376 H ASP 48 HN ASP 48 3.707 7.600 8.855 377 HA ASP 48 HA ASP 48 3.777 9.607 6.797 378 HB2 ASP 48 HB2 ASP 48 3.019 10.030 9.174 379 HB3 ASP 48 HB1 ASP 48 4.688 9.787 9.678 380 H SER 49 HN SER 49 5.622 10.199 5.724 381 HA SER 49 HA SER 49 7.939 8.567 6.268 382 HB2 SER 49 HB2 SER 49 7.097 8.899 3.919 383 HB3 SER 49 HB1 SER 49 7.526 10.599 4.055 384 HG SER 49 HG SER 49 9.261 9.732 3.147 385 H HIS 50 HN HIS 50 9.079 9.282 7.892 386 HA HIS 50 HA HIS 50 9.280 12.054 8.535 387 HB2 HIS 50 HB2 HIS 50 10.786 9.731 9.706 388 HB3 HIS 50 HB1 HIS 50 10.807 11.395 10.272 389 HD1 HIS 50 HD1 HIS 50 8.328 12.237 11.270 390 HD2 HIS 50 HD2 HIS 50 8.858 8.146 10.748 391 HE1 HIS 50 HE1 HIS 50 6.536 11.123 12.625 392 H SER 51 HN SER 51 10.018 12.531 6.589 393 HA SER 51 HA SER 51 12.862 12.957 6.522 394 HB2 SER 51 HB2 SER 51 11.413 11.464 4.365 395 HB3 SER 51 HB1 SER 51 13.041 12.150 4.127 396 HG SER 51 HG SER 51 12.741 10.628 6.370 397 H PHE 52 HN PHE 52 9.768 13.258 4.772 398 HA PHE 52 HA PHE 52 10.375 16.077 4.282 399 HB2 PHE 52 HB2 PHE 52 9.074 14.137 2.344 400 HB3 PHE 52 HB1 PHE 52 9.228 15.867 2.089 401 HD1 PHE 52 HD1 PHE 52 11.466 16.853 1.722 402 HD2 PHE 52 HD2 PHE 52 10.862 12.655 1.938 403 HE1 PHE 52 HE1 PHE 52 13.640 16.496 0.673 404 HE2 PHE 52 HE2 PHE 52 13.034 12.273 0.893 405 HZ PHE 52 HZ PHE 52 14.446 14.195 0.246 406 H GLN 53 HN GLN 53 8.532 17.396 4.324 407 HA GLN 53 HA GLN 53 6.421 16.281 5.945 408 HB2 GLN 53 HB2 GLN 53 5.567 18.616 6.096 409 HB3 GLN 53 HB1 GLN 53 7.233 18.450 6.624 410 HG2 GLN 53 HG2 GLN 53 8.030 19.426 4.586 411 HG3 GLN 53 HG1 GLN 53 6.401 19.461 3.914 412 HE21 GLN 53 HE21 GLN 53 8.613 20.912 6.153 413 HE22 GLN 53 HE22 GLN 53 7.687 22.322 6.487 414 H GLY 54 HN GLY 54 4.389 15.917 5.338 415 HA2 GLY 54 HA2 GLY 54 2.557 15.699 3.955 416 HA3 GLY 54 HA1 GLY 54 3.337 16.792 2.813 417 H ALA 55 HN ALA 55 4.810 13.912 4.114 418 HA ALA 55 HA ALA 55 4.506 12.591 1.528 419 HB1 ALA 55 HB1 ALA 55 7.085 12.774 3.099 420 HB2 ALA 55 HB2 ALA 55 6.754 13.569 1.559 421 HB3 ALA 55 HB3 ALA 55 6.835 11.813 1.646 422 H TYR 56 HN TYR 56 3.973 10.585 1.665 423 HA TYR 56 HA TYR 56 3.896 9.297 4.313 424 HB2 TYR 56 HB2 TYR 56 2.175 8.689 1.889 425 HB3 TYR 56 HB1 TYR 56 1.949 8.109 3.533 426 HD1 TYR 56 HD2 TYR 56 1.334 9.794 5.330 427 HD2 TYR 56 HD1 TYR 56 1.191 10.715 1.183 428 HE1 TYR 56 HE2 TYR 56 -0.116 11.724 5.808 429 HE2 TYR 56 HE1 TYR 56 -0.252 12.645 1.652 430 HH TYR 56 HH TYR 56 -1.795 13.353 3.372 431 H GLY 57 HN GLY 57 5.141 7.568 4.486 432 HA2 GLY 57 HA2 GLY 57 6.695 6.874 2.140 433 HA3 GLY 57 HA1 GLY 57 7.081 6.359 3.768 434 H LEU 58 HN LEU 58 6.402 5.201 0.933 435 HA LEU 58 HA LEU 58 4.505 3.156 1.770 436 HB2 LEU 58 HB2 LEU 58 3.862 4.460 -0.212 437 HB3 LEU 58 HB1 LEU 58 5.399 4.145 -0.961 438 HG LEU 58 HG LEU 58 3.437 2.924 -1.948 439 HD11 LEU 58 HD11 LEU 58 5.652 2.096 -2.393 440 HD12 LEU 58 HD12 LEU 58 4.508 0.767 -2.228 441 HD13 LEU 58 HD13 LEU 58 5.620 1.141 -0.910 442 HD21 LEU 58 HD21 LEU 58 2.190 2.402 0.034 443 HD22 LEU 58 HD22 LEU 58 3.504 1.401 0.648 444 HD23 LEU 58 HD23 LEU 58 2.615 0.906 -0.793 445 H ALA 59 HN ALA 59 5.418 1.350 2.350 446 HA ALA 59 HA ALA 59 8.007 0.646 1.167 447 HB1 ALA 59 HB1 ALA 59 8.147 0.880 3.599 448 HB2 ALA 59 HB2 ALA 59 8.312 -0.817 3.144 449 HB3 ALA 59 HB3 ALA 59 6.786 -0.222 3.793 450 H LEU 60 HN LEU 60 7.954 -1.027 -0.141 451 HA LEU 60 HA LEU 60 5.596 -2.784 -0.055 452 HB2 LEU 60 HB2 LEU 60 5.601 -1.165 -1.968 453 HB3 LEU 60 HB1 LEU 60 7.113 -1.843 -2.509 454 HG LEU 60 HG LEU 60 5.090 -2.510 -3.831 455 HD11 LEU 60 HD11 LEU 60 6.573 -4.782 -2.563 456 HD12 LEU 60 HD12 LEU 60 7.063 -3.859 -3.985 457 HD13 LEU 60 HD13 LEU 60 5.619 -4.868 -4.043 458 HD21 LEU 60 HD21 LEU 60 3.616 -4.239 -2.935 459 HD22 LEU 60 HD22 LEU 60 3.487 -2.708 -2.071 460 HD23 LEU 60 HD23 LEU 60 4.381 -4.053 -1.353 461 H LYS 61 HN LYS 61 6.085 -4.808 0.265 462 HA LYS 61 HA LYS 61 8.871 -5.629 0.366 463 HB2 LYS 61 HB2 LYS 61 7.627 -6.204 2.252 464 HB3 LYS 61 HB1 LYS 61 6.283 -6.853 1.321 465 HG2 LYS 61 HG2 LYS 61 7.465 -8.657 2.360 466 HG3 LYS 61 HG1 LYS 61 7.798 -8.719 0.634 467 HD2 LYS 61 HD2 LYS 61 9.937 -7.622 1.016 468 HD3 LYS 61 HD1 LYS 61 9.621 -7.598 2.759 469 HE2 LYS 61 HE2 LYS 61 9.863 -10.048 0.999 470 HE3 LYS 61 HE1 LYS 61 11.050 -9.494 2.176 471 HZ1 LYS 61 HZ1 LYS 61 8.277 -10.386 2.895 472 HZ2 LYS 61 HZ2 LYS 61 9.525 -10.047 3.977 473 HZ3 LYS 61 HZ3 LYS 61 9.645 -11.334 2.935 474 H VAL 62 HN VAL 62 9.783 -6.561 -1.338 475 HA VAL 62 HA VAL 62 8.083 -8.278 -2.982 476 HB VAL 62 HB VAL 62 9.709 -8.038 -4.819 477 HG11 VAL 62 HG11 VAL 62 9.292 -5.702 -5.419 478 HG12 VAL 62 HG12 VAL 62 8.769 -5.411 -3.755 479 HG13 VAL 62 HG13 VAL 62 7.853 -6.511 -4.786 480 HG21 VAL 62 HG21 VAL 62 11.117 -6.066 -3.032 481 HG22 VAL 62 HG22 VAL 62 11.489 -6.361 -4.731 482 HG23 VAL 62 HG23 VAL 62 11.733 -7.638 -3.542 483 H ALA 63 HN ALA 63 9.104 -10.245 -3.704 484 HA ALA 63 HA ALA 63 10.524 -11.501 -1.603 485 HB1 ALA 63 HB1 ALA 63 10.015 -12.439 -4.417 486 HB2 ALA 63 HB2 ALA 63 8.992 -12.750 -3.015 487 HB3 ALA 63 HB3 ALA 63 10.611 -13.456 -3.104 488 H THR 64 HN THR 64 11.283 -10.216 -4.743 489 HA THR 64 HA THR 64 13.994 -9.675 -4.093 490 HB THR 64 HB THR 64 14.618 -10.727 -6.451 491 HG1 THR 64 HG1 THR 64 12.243 -11.919 -5.797 492 HG21 THR 64 HG21 THR 64 15.443 -12.788 -5.357 493 HG22 THR 64 HG22 THR 64 14.424 -12.438 -3.958 494 HG23 THR 64 HG23 THR 64 15.752 -11.359 -4.372 495 HA PRO 65 HA PRO 65 12.558 -6.299 -6.690 496 HB2 PRO 65 HB2 PRO 65 15.415 -5.548 -6.916 497 HB3 PRO 65 HB1 PRO 65 14.059 -4.601 -6.302 498 HG2 PRO 65 HG2 PRO 65 15.926 -5.637 -4.680 499 HG3 PRO 65 HG1 PRO 65 14.232 -5.485 -4.173 500 HD2 PRO 65 HD2 PRO 65 15.755 -7.890 -5.104 501 HD3 PRO 65 HD1 PRO 65 14.518 -7.753 -3.812 502 HA PRO 66 HA PRO 66 15.189 -7.610 -10.640 503 HB2 PRO 66 HB2 PRO 66 16.722 -9.837 -10.358 504 HB3 PRO 66 HB1 PRO 66 17.358 -8.241 -9.919 505 HG2 PRO 66 HG2 PRO 66 16.020 -10.203 -8.130 506 HG3 PRO 66 HG1 PRO 66 17.650 -9.498 -7.946 507 HD2 PRO 66 HD2 PRO 66 15.634 -8.597 -6.718 508 HD3 PRO 66 HD1 PRO 66 16.744 -7.408 -7.477 509 HA PRO 67 HA PRO 67 12.097 -10.761 -11.486 510 HB2 PRO 67 HB2 PRO 67 13.136 -11.880 -13.779 511 HB3 PRO 67 HB1 PRO 67 12.202 -10.384 -13.742 512 HG2 PRO 67 HG2 PRO 67 15.154 -10.778 -13.871 513 HG3 PRO 67 HG1 PRO 67 14.148 -9.571 -14.690 514 HD2 PRO 67 HD2 PRO 67 15.626 -8.975 -12.514 515 HD3 PRO 67 HD1 PRO 67 14.055 -8.206 -12.828 516 H SER 68 HN SER 68 15.395 -11.982 -12.216 517 HA SER 68 HA SER 68 14.615 -14.544 -11.052 518 HB2 SER 68 HB2 SER 68 16.523 -15.377 -12.470 519 HB3 SER 68 HB1 SER 68 15.128 -14.753 -13.353 520 HG SER 68 HG SER 68 17.209 -14.032 -14.083 521 H ALA 69 HN ALA 69 16.937 -11.927 -10.935 522 HA ALA 69 HA ALA 69 18.597 -11.358 -9.538 523 HB1 ALA 69 HB1 ALA 69 18.669 -12.323 -7.260 524 HB2 ALA 69 HB2 ALA 69 17.420 -13.499 -7.724 525 HB3 ALA 69 HB3 ALA 69 17.070 -11.763 -7.727 526 H GLN 70 HN GLN 70 19.032 -13.054 -11.617 527 HA GLN 70 HA GLN 70 20.484 -15.349 -11.064 528 HB2 GLN 70 HB2 GLN 70 19.777 -14.927 -13.318 529 HB3 GLN 70 HB1 GLN 70 20.759 -13.488 -13.452 530 HG2 GLN 70 HG2 GLN 70 22.771 -14.919 -13.172 531 HG3 GLN 70 HG1 GLN 70 21.711 -16.325 -13.225 532 HE21 GLN 70 HE21 GLN 70 20.729 -16.872 -15.162 533 HE22 GLN 70 HE22 GLN 70 21.267 -16.207 -16.663 534 HA PRO 71 HA PRO 71 24.458 -13.019 -10.407 535 HB2 PRO 71 HB2 PRO 71 24.362 -10.208 -10.706 536 HB3 PRO 71 HB1 PRO 71 25.114 -11.371 -11.803 537 HG2 PRO 71 HG2 PRO 71 22.886 -9.814 -12.436 538 HG3 PRO 71 HG1 PRO 71 23.342 -11.313 -13.263 539 HD2 PRO 71 HD2 PRO 71 21.361 -10.885 -11.058 540 HD3 PRO 71 HD1 PRO 71 21.210 -11.897 -12.510 541 H TRP 72 HN TRP 72 24.213 -13.443 -8.331 542 HA TRP 72 HA TRP 72 22.991 -11.510 -6.516 543 HB2 TRP 72 HB2 TRP 72 22.338 -13.874 -6.260 544 HB3 TRP 72 HB1 TRP 72 24.025 -14.326 -6.065 545 HD1 TRP 72 HD1 TRP 72 25.196 -13.756 -3.714 546 HE1 TRP 72 HE1 TRP 72 24.241 -13.269 -1.399 547 HE3 TRP 72 HE3 TRP 72 20.352 -12.806 -5.046 548 HZ2 TRP 72 HZ2 TRP 72 21.728 -12.593 -0.261 549 HZ3 TRP 72 HZ3 TRP 72 18.732 -12.257 -3.276 550 HH2 TRP 72 HH2 TRP 72 19.411 -12.157 -0.934 551 H LYS 73 HN LYS 73 24.215 -10.526 -4.921 552 HA LYS 73 HA LYS 73 27.090 -11.073 -4.912 553 HB2 LYS 73 HB2 LYS 73 26.656 -9.236 -6.511 554 HB3 LYS 73 HB1 LYS 73 25.927 -8.312 -5.204 555 HG2 LYS 73 HG2 LYS 73 28.011 -8.212 -4.043 556 HG3 LYS 73 HG1 LYS 73 28.767 -9.280 -5.231 557 HD2 LYS 73 HD2 LYS 73 28.318 -7.632 -6.961 558 HD3 LYS 73 HD1 LYS 73 27.633 -6.546 -5.748 559 HE2 LYS 73 HE2 LYS 73 30.441 -7.623 -5.721 560 HE3 LYS 73 HE1 LYS 73 30.004 -6.009 -6.300 561 HZ1 LYS 73 HZ1 LYS 73 30.814 -5.933 -4.065 562 HZ2 LYS 73 HZ2 LYS 73 29.642 -7.021 -3.513 563 HZ3 LYS 73 HZ3 LYS 73 29.202 -5.495 -4.086 564 H GLY 74 HN GLY 74 24.376 -9.385 -3.420 565 HA2 GLY 74 HA2 GLY 74 24.617 -10.293 -0.915 566 HA3 GLY 74 HA1 GLY 74 25.788 -8.969 -0.968 567 H ASP 75 HN ASP 75 22.475 -9.831 -1.489 568 HA ASP 75 HA ASP 75 21.742 -7.007 -1.285 569 HB2 ASP 75 HB2 ASP 75 20.495 -9.142 -3.048 570 HB3 ASP 75 HB1 ASP 75 19.939 -7.476 -2.910 571 HA PRO 76 HA PRO 76 19.588 -9.218 1.992 572 HB2 PRO 76 HB2 PRO 76 19.679 -7.338 3.844 573 HB3 PRO 76 HB1 PRO 76 21.141 -8.214 3.368 574 HG2 PRO 76 HG2 PRO 76 20.268 -5.455 2.651 575 HG3 PRO 76 HG1 PRO 76 21.897 -6.078 2.959 576 HD2 PRO 76 HD2 PRO 76 20.727 -5.687 0.429 577 HD3 PRO 76 HD1 PRO 76 22.200 -6.614 0.776 578 H VAL 77 HN VAL 77 17.860 -8.358 3.651 579 HA VAL 77 HA VAL 77 15.527 -8.000 2.173 580 HB VAL 77 HB VAL 77 15.690 -9.226 4.312 581 HG11 VAL 77 HG11 VAL 77 15.716 -6.509 5.582 582 HG12 VAL 77 HG12 VAL 77 16.998 -7.725 5.614 583 HG13 VAL 77 HG13 VAL 77 15.471 -8.038 6.433 584 HG21 VAL 77 HG21 VAL 77 13.484 -8.624 5.144 585 HG22 VAL 77 HG22 VAL 77 13.519 -8.668 3.381 586 HG23 VAL 77 HG23 VAL 77 13.539 -7.118 4.230 587 H GLU 78 HN GLU 78 17.562 -5.605 3.613 588 HA GLU 78 HA GLU 78 15.698 -3.497 3.747 589 HB2 GLU 78 HB2 GLU 78 18.673 -3.450 3.327 590 HB3 GLU 78 HB1 GLU 78 17.711 -1.988 3.438 591 HG2 GLU 78 HG2 GLU 78 16.969 -2.721 5.687 592 HG3 GLU 78 HG1 GLU 78 18.083 -4.083 5.560 593 H GLN 79 HN GLN 79 17.243 -4.977 1.070 594 HA GLN 79 HA GLN 79 16.521 -2.812 -0.739 595 HB2 GLN 79 HB2 GLN 79 18.670 -3.926 -1.049 596 HB3 GLN 79 HB1 GLN 79 17.867 -5.477 -1.226 597 HG2 GLN 79 HG2 GLN 79 16.721 -4.584 -3.227 598 HG3 GLN 79 HG1 GLN 79 17.688 -3.126 -3.089 599 HE21 GLN 79 HE21 GLN 79 20.105 -4.511 -2.229 600 HE22 GLN 79 HE22 GLN 79 20.670 -5.362 -3.620 601 H LEU 80 HN LEU 80 15.524 -5.985 0.281 602 HA LEU 80 HA LEU 80 13.712 -6.590 -1.811 603 HB2 LEU 80 HB2 LEU 80 13.594 -7.530 1.062 604 HB3 LEU 80 HB1 LEU 80 12.782 -8.268 -0.298 605 HG LEU 80 HG LEU 80 15.758 -8.244 0.232 606 HD11 LEU 80 HD11 LEU 80 14.526 -9.809 1.620 607 HD12 LEU 80 HD12 LEU 80 15.497 -10.659 0.418 608 HD13 LEU 80 HD13 LEU 80 13.761 -10.490 0.183 609 HD21 LEU 80 HD21 LEU 80 14.235 -9.362 -2.110 610 HD22 LEU 80 HD22 LEU 80 15.919 -9.725 -1.739 611 HD23 LEU 80 HD23 LEU 80 15.450 -8.077 -2.139 612 H VAL 81 HN VAL 81 13.432 -4.854 1.208 613 HA VAL 81 HA VAL 81 10.662 -4.254 0.654 614 HB VAL 81 HB VAL 81 12.509 -3.184 2.835 615 HG11 VAL 81 HG11 VAL 81 10.439 -2.270 3.853 616 HG12 VAL 81 HG12 VAL 81 9.545 -2.752 2.404 617 HG13 VAL 81 HG13 VAL 81 10.804 -1.529 2.297 618 HG21 VAL 81 HG21 VAL 81 11.143 -4.571 4.337 619 HG22 VAL 81 HG22 VAL 81 11.931 -5.548 3.093 620 HG23 VAL 81 HG23 VAL 81 10.218 -5.142 2.947 621 H ARG 82 HN ARG 82 10.227 -2.911 -0.849 622 HA ARG 82 HA ARG 82 12.203 -1.075 -1.904 623 HB2 ARG 82 HB2 ARG 82 9.338 -1.427 -2.779 624 HB3 ARG 82 HB1 ARG 82 10.672 -0.761 -3.704 625 HG2 ARG 82 HG2 ARG 82 10.361 -3.645 -2.879 626 HG3 ARG 82 HG1 ARG 82 10.071 -2.987 -4.488 627 HD2 ARG 82 HD2 ARG 82 12.704 -2.908 -3.035 628 HD3 ARG 82 HD1 ARG 82 12.264 -4.110 -4.249 629 HE ARG 82 HE ARG 82 11.899 -1.908 -5.640 630 HH11 ARG 82 HH11 ARG 82 14.580 -2.697 -3.454 631 HH12 ARG 82 HH12 ARG 82 15.714 -1.770 -4.340 632 HH21 ARG 82 HH21 ARG 82 13.441 -0.695 -6.831 633 HH22 ARG 82 HH22 ARG 82 15.067 -0.603 -6.305 634 H HIS 83 HN HIS 83 12.148 1.080 -1.573 635 HA HIS 83 HA HIS 83 9.889 2.085 -0.040 636 HB2 HIS 83 HB2 HIS 83 12.777 2.552 0.317 637 HB3 HIS 83 HB1 HIS 83 11.717 3.938 0.552 638 HD1 HIS 83 HD1 HIS 83 13.045 1.092 2.376 639 HD2 HIS 83 HD2 HIS 83 9.555 3.335 2.390 640 HE1 HIS 83 HE1 HIS 83 11.966 0.703 4.612 641 H PHE 84 HN PHE 84 8.678 3.447 -0.860 642 HA PHE 84 HA PHE 84 9.672 5.381 -2.812 643 HB2 PHE 84 HB2 PHE 84 7.020 3.875 -2.898 644 HB3 PHE 84 HB1 PHE 84 7.478 5.187 -3.967 645 HD1 PHE 84 HD2 PHE 84 8.026 1.640 -3.141 646 HD2 PHE 84 HD1 PHE 84 8.948 4.811 -5.831 647 HE1 PHE 84 HE2 PHE 84 8.946 0.011 -4.746 648 HE2 PHE 84 HE1 PHE 84 9.855 3.185 -7.434 649 HZ PHE 84 HZ PHE 84 9.857 0.787 -6.894 650 H LEU 85 HN LEU 85 8.393 7.397 -2.574 651 HA LEU 85 HA LEU 85 6.721 7.263 -0.225 652 HB2 LEU 85 HB2 LEU 85 7.386 9.477 0.578 653 HB3 LEU 85 HB1 LEU 85 8.691 8.323 0.632 654 HG LEU 85 HG LEU 85 8.467 10.393 -1.560 655 HD11 LEU 85 HD11 LEU 85 10.092 11.673 -0.205 656 HD12 LEU 85 HD12 LEU 85 9.846 10.519 1.117 657 HD13 LEU 85 HD13 LEU 85 8.514 11.538 0.573 658 HD21 LEU 85 HD21 LEU 85 10.858 9.995 -1.730 659 HD22 LEU 85 HD22 LEU 85 9.957 8.476 -1.936 660 HD23 LEU 85 HD23 LEU 85 10.751 8.844 -0.396 661 H ILE 86 HN ILE 86 4.976 8.312 -0.157 662 HA ILE 86 HA ILE 86 3.954 9.244 -2.692 663 HB ILE 86 HB ILE 86 2.641 8.594 -0.052 664 HG12 ILE 86 HG12 ILE 86 2.638 7.043 -2.641 665 HG13 ILE 86 HG11 ILE 86 3.662 6.665 -1.262 666 HG21 ILE 86 HG21 ILE 86 0.532 8.700 -1.311 667 HG22 ILE 86 HG22 ILE 86 1.422 9.257 -2.731 668 HG23 ILE 86 HG23 ILE 86 1.369 10.248 -1.276 669 HD11 ILE 86 HD11 ILE 86 1.731 5.212 -1.353 670 HD12 ILE 86 HD12 ILE 86 0.658 6.612 -1.322 671 HD13 ILE 86 HD13 ILE 86 1.664 6.239 0.079 672 H GLU 87 HN GLU 87 3.951 11.316 -3.017 673 HA GLU 87 HA GLU 87 4.099 13.120 -0.712 674 HB2 GLU 87 HB2 GLU 87 4.939 13.612 -3.560 675 HB3 GLU 87 HB1 GLU 87 5.120 14.723 -2.213 676 HG2 GLU 87 HG2 GLU 87 6.678 13.158 -1.154 677 HG3 GLU 87 HG1 GLU 87 6.497 12.068 -2.532 678 H THR 88 HN THR 88 2.686 14.777 -0.649 679 HA THR 88 HA THR 88 0.760 14.874 -2.809 680 HB THR 88 HB THR 88 -0.455 14.007 -0.961 681 HG1 THR 88 HG1 THR 88 -1.240 16.545 -0.419 682 HG21 THR 88 HG21 THR 88 0.747 16.176 0.762 683 HG22 THR 88 HG22 THR 88 1.083 14.434 0.819 684 HG23 THR 88 HG23 THR 88 -0.508 15.037 1.275 685 H GLY 89 HN GLY 89 0.394 16.727 -3.719 686 HA2 GLY 89 HA2 GLY 89 1.455 19.168 -2.518 687 HA3 GLY 89 HA1 GLY 89 2.118 18.659 -4.066 688 HA PRO 90 HA PRO 90 -1.269 21.526 -5.115 689 HB2 PRO 90 HB2 PRO 90 -0.370 21.889 -7.712 690 HB3 PRO 90 HB1 PRO 90 0.069 22.885 -6.325 691 HG2 PRO 90 HG2 PRO 90 1.607 20.707 -7.644 692 HG3 PRO 90 HG1 PRO 90 2.185 22.183 -6.869 693 HD2 PRO 90 HD2 PRO 90 2.338 19.739 -5.724 694 HD3 PRO 90 HD1 PRO 90 2.190 21.236 -4.783 695 H LYS 91 HN LYS 91 -0.127 18.909 -7.299 696 HA LYS 91 HA LYS 91 -2.623 18.926 -8.660 697 HB2 LYS 91 HB2 LYS 91 -0.283 17.036 -8.859 698 HB3 LYS 91 HB1 LYS 91 -1.753 16.829 -9.790 699 HG2 LYS 91 HG2 LYS 91 -0.235 17.907 -11.216 700 HG3 LYS 91 HG1 LYS 91 -1.374 19.147 -10.675 701 HD2 LYS 91 HD2 LYS 91 0.304 19.791 -8.948 702 HD3 LYS 91 HD1 LYS 91 1.448 18.699 -9.737 703 HE2 LYS 91 HE2 LYS 91 0.058 21.046 -10.980 704 HE3 LYS 91 HE1 LYS 91 1.748 21.015 -10.479 705 HZ1 LYS 91 HZ1 LYS 91 0.516 19.370 -12.633 706 HZ2 LYS 91 HZ2 LYS 91 2.135 19.281 -12.152 707 HZ3 LYS 91 HZ3 LYS 91 1.537 20.685 -12.837 708 H GLY 92 HN GLY 92 -1.128 16.830 -6.257 709 HA2 GLY 92 HA2 GLY 92 -3.404 16.143 -4.946 710 HA3 GLY 92 HA1 GLY 92 -3.267 14.967 -6.245 711 H VAL 93 HN VAL 93 -2.972 13.373 -4.755 712 HA VAL 93 HA VAL 93 -0.348 13.356 -3.461 713 HB VAL 93 HB VAL 93 -2.243 13.245 -1.864 714 HG11 VAL 93 HG11 VAL 93 -3.081 10.720 -3.277 715 HG12 VAL 93 HG12 VAL 93 -3.960 12.241 -3.229 716 HG13 VAL 93 HG13 VAL 93 -3.738 11.307 -1.751 717 HG21 VAL 93 HG21 VAL 93 -0.804 10.623 -2.065 718 HG22 VAL 93 HG22 VAL 93 -1.581 11.269 -0.615 719 HG23 VAL 93 HG23 VAL 93 -0.170 12.078 -1.307 720 H LYS 94 HN LYS 94 1.114 11.896 -4.257 721 HA LYS 94 HA LYS 94 0.286 9.439 -5.337 722 HB2 LYS 94 HB2 LYS 94 0.451 9.719 -7.647 723 HB3 LYS 94 HB1 LYS 94 -0.229 11.253 -7.164 724 HG2 LYS 94 HG2 LYS 94 2.586 10.655 -7.941 725 HG3 LYS 94 HG1 LYS 94 1.399 11.559 -8.856 726 HD2 LYS 94 HD2 LYS 94 1.486 13.349 -7.213 727 HD3 LYS 94 HD1 LYS 94 2.610 12.404 -6.226 728 HE2 LYS 94 HE2 LYS 94 3.059 13.385 -9.028 729 HE3 LYS 94 HE1 LYS 94 3.888 13.949 -7.575 730 HZ1 LYS 94 HZ1 LYS 94 4.054 11.212 -8.776 731 HZ2 LYS 94 HZ2 LYS 94 4.817 11.650 -7.366 732 HZ3 LYS 94 HZ3 LYS 94 5.250 12.389 -8.823 733 H ILE 95 HN ILE 95 2.501 8.587 -6.784 734 HA ILE 95 HA ILE 95 4.274 8.303 -4.504 735 HB ILE 95 HB ILE 95 4.074 6.732 -7.095 736 HG12 ILE 95 HG12 ILE 95 3.007 6.042 -4.347 737 HG13 ILE 95 HG11 ILE 95 2.018 6.603 -5.691 738 HG21 ILE 95 HG21 ILE 95 5.374 5.009 -5.927 739 HG22 ILE 95 HG22 ILE 95 5.513 6.071 -4.529 740 HG23 ILE 95 HG23 ILE 95 6.276 6.520 -6.055 741 HD11 ILE 95 HD11 ILE 95 1.856 4.199 -5.399 742 HD12 ILE 95 HD12 ILE 95 3.604 4.041 -5.587 743 HD13 ILE 95 HD13 ILE 95 2.615 4.584 -6.943 744 H LYS 96 HN LYS 96 6.435 8.788 -4.552 745 HA LYS 96 HA LYS 96 7.557 10.073 -6.918 746 HB2 LYS 96 HB2 LYS 96 8.059 11.300 -4.953 747 HB3 LYS 96 HB1 LYS 96 8.447 9.853 -4.045 748 HG2 LYS 96 HG2 LYS 96 10.525 9.586 -5.201 749 HG3 LYS 96 HG1 LYS 96 10.101 10.855 -6.352 750 HD2 LYS 96 HD2 LYS 96 10.253 11.428 -3.418 751 HD3 LYS 96 HD1 LYS 96 11.714 11.425 -4.418 752 HE2 LYS 96 HE2 LYS 96 10.822 13.130 -5.826 753 HE3 LYS 96 HE1 LYS 96 9.249 13.039 -5.045 754 HZ1 LYS 96 HZ1 LYS 96 10.122 13.985 -3.088 755 HZ2 LYS 96 HZ2 LYS 96 10.649 14.936 -4.380 756 HZ3 LYS 96 HZ3 LYS 96 11.725 13.866 -3.645 757 H GLY 97 HN GLY 97 9.180 9.164 -8.115 758 HA2 GLY 97 HA2 GLY 97 10.774 7.496 -8.693 759 HA3 GLY 97 HA1 GLY 97 10.200 6.526 -7.341 760 H CYS 98 HN CYS 98 8.782 7.993 -10.252 761 HA CYS 98 HA CYS 98 7.181 5.558 -10.618 762 HB2 CYS 98 HB2 CYS 98 5.281 7.105 -11.001 763 HB3 CYS 98 HB1 CYS 98 5.878 7.047 -9.340 764 HG CYS 98 HG CYS 98 5.185 9.567 -9.854 765 HA PRO 99 HA PRO 99 7.838 6.615 -14.981 766 HB2 PRO 99 HB2 PRO 99 5.742 4.836 -15.795 767 HB3 PRO 99 HB1 PRO 99 7.483 4.545 -15.831 768 HG2 PRO 99 HG2 PRO 99 5.692 3.222 -14.195 769 HG3 PRO 99 HG1 PRO 99 7.429 3.358 -13.887 770 HD2 PRO 99 HD2 PRO 99 5.165 4.912 -12.709 771 HD3 PRO 99 HD1 PRO 99 6.675 4.323 -11.969 772 H SER 100 HN SER 100 4.313 6.119 -14.155 773 HA SER 100 HA SER 100 3.609 8.668 -15.280 774 HB2 SER 100 HB2 SER 100 2.357 6.089 -16.275 775 HB3 SER 100 HB1 SER 100 1.956 7.732 -16.766 776 HG SER 100 HG SER 100 3.357 6.306 -18.099 777 H GLU 101 HN GLU 101 1.984 9.396 -13.991 778 HA GLU 101 HA GLU 101 0.400 7.438 -12.447 779 HB2 GLU 101 HB2 GLU 101 1.632 9.927 -11.392 780 HB3 GLU 101 HB1 GLU 101 0.579 8.842 -10.505 781 HG2 GLU 101 HG2 GLU 101 2.258 7.118 -10.625 782 HG3 GLU 101 HG1 GLU 101 3.297 8.193 -11.576 783 HA PRO 102 HA PRO 102 -2.812 10.588 -13.201 784 HB2 PRO 102 HB2 PRO 102 -4.527 8.998 -11.473 785 HB3 PRO 102 HB1 PRO 102 -4.681 9.240 -13.212 786 HG2 PRO 102 HG2 PRO 102 -4.023 6.844 -12.060 787 HG3 PRO 102 HG1 PRO 102 -3.563 7.309 -13.709 788 HD2 PRO 102 HD2 PRO 102 -1.933 7.321 -11.206 789 HD3 PRO 102 HD1 PRO 102 -1.468 6.904 -12.872 790 H TYR 103 HN TYR 103 -3.733 12.130 -11.690 791 HA TYR 103 HA TYR 103 -2.311 12.071 -9.166 792 HB2 TYR 103 HB2 TYR 103 -3.699 14.343 -10.584 793 HB3 TYR 103 HB1 TYR 103 -2.911 14.497 -9.006 794 HD1 TYR 103 HD1 TYR 103 -0.487 14.117 -8.806 795 HD2 TYR 103 HD2 TYR 103 -2.401 14.264 -12.600 796 HE1 TYR 103 HE1 TYR 103 1.686 14.396 -9.889 797 HE2 TYR 103 HE2 TYR 103 -0.221 14.540 -13.694 798 HH TYR 103 HH TYR 103 2.665 13.914 -12.077 799 H PHE 104 HN PHE 104 -3.181 11.332 -7.488 800 HA PHE 104 HA PHE 104 -6.016 10.768 -7.400 801 HB2 PHE 104 HB2 PHE 104 -3.896 10.061 -5.384 802 HB3 PHE 104 HB1 PHE 104 -5.462 9.298 -5.617 803 HD1 PHE 104 HD1 PHE 104 -5.833 8.060 -7.822 804 HD2 PHE 104 HD2 PHE 104 -2.003 9.247 -6.432 805 HE1 PHE 104 HE1 PHE 104 -4.781 6.408 -9.293 806 HE2 PHE 104 HE2 PHE 104 -0.941 7.596 -7.911 807 HZ PHE 104 HZ PHE 104 -2.337 6.171 -9.344 808 H GLY 105 HN GLY 105 -7.270 11.239 -5.558 809 HA2 GLY 105 HA2 GLY 105 -6.555 13.735 -4.222 810 HA3 GLY 105 HA1 GLY 105 -8.159 13.011 -4.291 811 H SER 106 HN SER 106 -7.074 10.334 -3.558 812 HA SER 106 HA SER 106 -6.135 10.791 -0.837 813 HB2 SER 106 HB2 SER 106 -8.601 9.175 -1.532 814 HB3 SER 106 HB1 SER 106 -7.858 9.261 0.064 815 HG SER 106 HG SER 106 -8.191 11.730 -0.740 816 H LEU 107 HN LEU 107 -5.269 8.839 0.181 817 HA LEU 107 HA LEU 107 -3.529 7.403 -1.460 818 HB2 LEU 107 HB2 LEU 107 -4.462 6.777 1.337 819 HB3 LEU 107 HB1 LEU 107 -3.133 5.967 0.540 820 HG LEU 107 HG LEU 107 -3.232 8.890 1.300 821 HD11 LEU 107 HD11 LEU 107 -3.015 7.421 3.220 822 HD12 LEU 107 HD12 LEU 107 -1.516 8.296 2.918 823 HD13 LEU 107 HD13 LEU 107 -1.657 6.603 2.450 824 HD21 LEU 107 HD21 LEU 107 -1.026 7.257 0.063 825 HD22 LEU 107 HD22 LEU 107 -0.867 8.904 0.666 826 HD23 LEU 107 HD23 LEU 107 -1.914 8.572 -0.712 827 H SER 108 HN SER 108 -6.695 6.584 -0.241 828 HA SER 108 HA SER 108 -6.843 3.878 -0.653 829 HB2 SER 108 HB2 SER 108 -8.582 5.270 0.432 830 HB3 SER 108 HB1 SER 108 -9.032 5.920 -1.141 831 HG SER 108 HG SER 108 -9.695 3.573 0.057 832 H ALA 109 HN ALA 109 -6.912 6.409 -3.090 833 HA ALA 109 HA ALA 109 -7.908 4.766 -5.201 834 HB1 ALA 109 HB1 ALA 109 -8.169 7.167 -5.218 835 HB2 ALA 109 HB2 ALA 109 -7.273 6.622 -6.644 836 HB3 ALA 109 HB3 ALA 109 -6.421 7.373 -5.290 837 H LEU 110 HN LEU 110 -4.675 5.952 -4.312 838 HA LEU 110 HA LEU 110 -3.474 4.586 -6.473 839 HB2 LEU 110 HB2 LEU 110 -1.291 5.097 -5.370 840 HB3 LEU 110 HB1 LEU 110 -2.298 6.482 -5.696 841 HG LEU 110 HG LEU 110 -2.969 6.324 -3.211 842 HD11 LEU 110 HD11 LEU 110 -2.050 4.128 -2.733 843 HD12 LEU 110 HD12 LEU 110 -1.331 5.360 -1.709 844 HD13 LEU 110 HD13 LEU 110 -0.424 4.714 -3.082 845 HD21 LEU 110 HD21 LEU 110 -1.024 7.648 -2.556 846 HD22 LEU 110 HD22 LEU 110 -1.642 8.118 -4.137 847 HD23 LEU 110 HD23 LEU 110 -0.185 7.127 -4.015 848 H VAL 111 HN VAL 111 -4.257 3.701 -3.265 849 HA VAL 111 HA VAL 111 -2.754 1.327 -3.139 850 HB VAL 111 HB VAL 111 -5.286 2.145 -1.668 851 HG11 VAL 111 HG11 VAL 111 -4.787 0.297 -0.105 852 HG12 VAL 111 HG12 VAL 111 -3.514 -0.251 -1.204 853 HG13 VAL 111 HG13 VAL 111 -5.197 -0.280 -1.721 854 HG21 VAL 111 HG21 VAL 111 -3.331 3.476 -1.133 855 HG22 VAL 111 HG22 VAL 111 -2.397 2.014 -0.818 856 HG23 VAL 111 HG23 VAL 111 -3.754 2.437 0.228 857 H SER 112 HN SER 112 -6.101 1.978 -4.118 858 HA SER 112 HA SER 112 -6.672 -0.730 -4.638 859 HB2 SER 112 HB2 SER 112 -8.735 0.235 -5.793 860 HB3 SER 112 HB1 SER 112 -8.509 0.667 -4.095 861 HG SER 112 HG SER 112 -7.990 2.644 -4.613 862 H GLN 113 HN GLN 113 -5.738 1.949 -6.796 863 HA GLN 113 HA GLN 113 -6.048 0.398 -9.133 864 HB2 GLN 113 HB2 GLN 113 -4.238 2.780 -8.797 865 HB3 GLN 113 HB1 GLN 113 -4.780 2.093 -10.323 866 HG2 GLN 113 HG2 GLN 113 -7.126 2.624 -9.590 867 HG3 GLN 113 HG1 GLN 113 -6.411 3.524 -8.255 868 HE21 GLN 113 HE21 GLN 113 -8.041 4.538 -10.357 869 HE22 GLN 113 HE22 GLN 113 -7.094 5.710 -11.194 870 H HIS 114 HN HIS 114 -3.214 0.954 -7.069 871 HA HIS 114 HA HIS 114 -1.549 -0.597 -8.815 872 HB2 HIS 114 HB2 HIS 114 -1.047 0.639 -6.123 873 HB3 HIS 114 HB1 HIS 114 0.109 -0.472 -6.850 874 HD1 HIS 114 HD1 HIS 114 -1.162 3.015 -7.082 875 HD2 HIS 114 HD2 HIS 114 1.416 0.481 -9.114 876 HE1 HIS 114 HE1 HIS 114 0.183 4.486 -8.661 877 H SER 115 HN SER 115 -3.794 -1.411 -6.515 878 HA SER 115 HA SER 115 -2.630 -3.890 -5.696 879 HB2 SER 115 HB2 SER 115 -4.439 -2.678 -4.423 880 HB3 SER 115 HB1 SER 115 -5.548 -3.049 -5.738 881 HG SER 115 HG SER 115 -4.095 -4.931 -4.245 882 H ILE 116 HN ILE 116 -4.292 -2.646 -8.387 883 HA ILE 116 HA ILE 116 -4.832 -5.272 -9.519 884 HB ILE 116 HB ILE 116 -5.623 -2.502 -10.489 885 HG12 ILE 116 HG12 ILE 116 -7.311 -4.653 -9.201 886 HG13 ILE 116 HG11 ILE 116 -6.735 -3.202 -8.384 887 HG21 ILE 116 HG21 ILE 116 -6.463 -5.222 -11.504 888 HG22 ILE 116 HG22 ILE 116 -5.410 -4.082 -12.346 889 HG23 ILE 116 HG23 ILE 116 -7.102 -3.677 -12.065 890 HD11 ILE 116 HD11 ILE 116 -8.053 -1.834 -9.924 891 HD12 ILE 116 HD12 ILE 116 -9.062 -2.992 -9.055 892 HD13 ILE 116 HD13 ILE 116 -8.616 -3.293 -10.735 893 H SER 117 HN SER 117 -3.610 -2.129 -10.652 894 HA SER 117 HA SER 117 -1.917 -3.496 -12.590 895 HB2 SER 117 HB2 SER 117 -2.826 -0.619 -12.434 896 HB3 SER 117 HB1 SER 117 -1.963 -1.377 -13.776 897 HG SER 117 HG SER 117 -3.703 -2.703 -14.119 898 HA PRO 118 HA PRO 118 1.373 -1.912 -9.956 899 HB2 PRO 118 HB2 PRO 118 3.371 -3.455 -10.945 900 HB3 PRO 118 HB1 PRO 118 2.177 -4.087 -9.813 901 HG2 PRO 118 HG2 PRO 118 2.411 -4.520 -12.739 902 HG3 PRO 118 HG1 PRO 118 1.748 -5.586 -11.493 903 HD2 PRO 118 HD2 PRO 118 0.286 -3.936 -13.263 904 HD3 PRO 118 HD1 PRO 118 -0.348 -4.800 -11.849 905 H ILE 119 HN ILE 119 1.228 0.109 -10.956 906 HA ILE 119 HA ILE 119 2.568 0.534 -13.491 907 HB ILE 119 HB ILE 119 1.314 2.619 -11.675 908 HG12 ILE 119 HG12 ILE 119 0.094 1.204 -14.064 909 HG13 ILE 119 HG11 ILE 119 -0.310 0.862 -12.391 910 HG21 ILE 119 HG21 ILE 119 2.888 3.531 -13.304 911 HG22 ILE 119 HG22 ILE 119 1.240 3.977 -13.737 912 HG23 ILE 119 HG23 ILE 119 2.060 2.682 -14.608 913 HD11 ILE 119 HD11 ILE 119 -0.763 3.476 -13.820 914 HD12 ILE 119 HD12 ILE 119 -1.171 3.141 -12.138 915 HD13 ILE 119 HD13 ILE 119 -1.992 2.272 -13.435 916 H SER 120 HN SER 120 2.798 2.321 -10.400 917 HA SER 120 HA SER 120 5.535 2.955 -11.030 918 HB2 SER 120 HB2 SER 120 3.817 3.778 -8.687 919 HB3 SER 120 HB1 SER 120 5.372 4.485 -9.143 920 HG SER 120 HG SER 120 3.361 5.576 -9.905 921 H LEU 121 HN LEU 121 4.049 0.445 -9.561 922 HA LEU 121 HA LEU 121 6.279 -0.010 -7.706 923 HB2 LEU 121 HB2 LEU 121 3.414 -0.937 -7.453 924 HB3 LEU 121 HB1 LEU 121 4.703 -1.288 -6.320 925 HG LEU 121 HG LEU 121 3.607 1.469 -6.904 926 HD11 LEU 121 HD11 LEU 121 2.013 0.096 -5.711 927 HD12 LEU 121 HD12 LEU 121 2.685 1.349 -4.660 928 HD13 LEU 121 HD13 LEU 121 3.253 -0.317 -4.528 929 HD21 LEU 121 HD21 LEU 121 5.952 1.553 -6.267 930 HD22 LEU 121 HD22 LEU 121 5.620 0.537 -4.867 931 HD23 LEU 121 HD23 LEU 121 4.934 2.156 -4.959 932 HA PRO 122 HA PRO 122 7.250 -3.527 -10.178 933 HB2 PRO 122 HB2 PRO 122 8.284 -5.208 -8.261 934 HB3 PRO 122 HB1 PRO 122 9.169 -3.868 -8.997 935 HG2 PRO 122 HG2 PRO 122 7.741 -3.983 -6.374 936 HG3 PRO 122 HG1 PRO 122 9.295 -3.229 -6.767 937 HD2 PRO 122 HD2 PRO 122 7.047 -1.793 -6.485 938 HD3 PRO 122 HD1 PRO 122 8.292 -1.350 -7.670 939 H CYS 123 HN CYS 123 5.438 -4.169 -7.221 940 HA CYS 123 HA CYS 123 4.165 -6.442 -8.565 941 HB2 CYS 123 HB2 CYS 123 4.786 -6.177 -5.615 942 HB3 CYS 123 HB1 CYS 123 3.995 -7.543 -6.387 943 HG CYS 123 HG CYS 123 6.465 -7.840 -8.060 944 H CYS 124 HN CYS 124 1.945 -6.811 -7.810 945 HA CYS 124 HA CYS 124 0.503 -4.388 -7.557 946 HB2 CYS 124 HB2 CYS 124 -0.401 -7.268 -7.356 947 HB3 CYS 124 HB1 CYS 124 -1.468 -5.879 -7.484 948 HG CYS 124 HG CYS 124 -1.472 -5.714 -10.026 949 H LEU 125 HN LEU 125 -0.487 -3.588 -5.813 950 HA LEU 125 HA LEU 125 0.534 -4.144 -3.247 951 HB2 LEU 125 HB2 LEU 125 -1.878 -2.546 -4.067 952 HB3 LEU 125 HB1 LEU 125 -1.260 -2.620 -2.435 953 HG LEU 125 HG LEU 125 0.187 -1.481 -4.819 954 HD11 LEU 125 HD11 LEU 125 -1.065 -0.174 -2.411 955 HD12 LEU 125 HD12 LEU 125 -1.681 -0.132 -4.061 956 HD13 LEU 125 HD13 LEU 125 -0.146 0.652 -3.674 957 HD21 LEU 125 HD21 LEU 125 1.796 -0.694 -3.121 958 HD22 LEU 125 HD22 LEU 125 1.760 -2.445 -3.283 959 HD23 LEU 125 HD23 LEU 125 0.956 -1.668 -1.915 960 H ARG 126 HN ARG 126 0.138 -5.938 -2.226 961 HA ARG 126 HA ARG 126 -2.525 -7.041 -2.322 962 HB2 ARG 126 HB2 ARG 126 -0.651 -8.642 -2.459 963 HB3 ARG 126 HB1 ARG 126 -0.027 -8.058 -0.926 964 HG2 ARG 126 HG2 ARG 126 -1.197 -10.206 -0.701 965 HG3 ARG 126 HG1 ARG 126 -1.969 -8.929 0.237 966 HD2 ARG 126 HD2 ARG 126 -3.619 -8.629 -1.568 967 HD3 ARG 126 HD1 ARG 126 -2.865 -9.952 -2.458 968 HE ARG 126 HE ARG 126 -3.411 -11.171 -0.212 969 HH11 ARG 126 HH11 ARG 126 -5.472 -8.914 -2.014 970 HH12 ARG 126 HH12 ARG 126 -6.925 -9.631 -1.514 971 HH21 ARG 126 HH21 ARG 126 -5.384 -12.171 0.453 972 HH22 ARG 126 HH22 ARG 126 -6.878 -11.579 -0.099 973 H ILE 127 HN ILE 127 -3.761 -5.773 -1.325 974 HA ILE 127 HA ILE 127 -3.245 -4.267 1.007 975 HB ILE 127 HB ILE 127 -5.916 -5.168 -0.113 976 HG12 ILE 127 HG12 ILE 127 -4.379 -2.639 -0.735 977 HG13 ILE 127 HG11 ILE 127 -4.388 -4.050 -1.778 978 HG21 ILE 127 HG21 ILE 127 -6.793 -3.149 0.987 979 HG22 ILE 127 HG22 ILE 127 -5.183 -2.776 1.594 980 HG23 ILE 127 HG23 ILE 127 -6.019 -4.215 2.163 981 HD11 ILE 127 HD11 ILE 127 -6.784 -2.393 -1.030 982 HD12 ILE 127 HD12 ILE 127 -6.768 -3.820 -2.086 983 HD13 ILE 127 HD13 ILE 127 -5.904 -2.361 -2.565 984 HA PRO 128 HA PRO 128 -3.619 -7.651 3.942 985 HB2 PRO 128 HB2 PRO 128 -4.084 -5.414 5.841 986 HB3 PRO 128 HB1 PRO 128 -2.898 -6.717 5.933 987 HG2 PRO 128 HG2 PRO 128 -2.156 -4.222 5.318 988 HG3 PRO 128 HG1 PRO 128 -1.388 -5.627 4.559 989 HD2 PRO 128 HD2 PRO 128 -3.419 -3.743 3.445 990 HD3 PRO 128 HD1 PRO 128 -2.049 -4.541 2.645 991 H SER 129 HN SER 129 -5.586 -4.815 4.739 992 HA SER 129 HA SER 129 -7.765 -4.406 5.015 993 HB2 SER 129 HB2 SER 129 -8.028 -5.275 2.724 994 HB3 SER 129 HB1 SER 129 -8.189 -6.910 3.358 995 HG SER 129 HG SER 129 -10.144 -5.678 2.809 996 H LYS 130 HN LYS 130 -7.010 -7.763 5.585 997 HA LYS 130 HA LYS 130 -8.890 -7.855 7.834 998 HB2 LYS 130 HB2 LYS 130 -7.656 -10.047 6.235 999 HB3 LYS 130 HB1 LYS 130 -8.814 -10.243 7.539 1000 HG2 LYS 130 HG2 LYS 130 -10.479 -9.038 6.220 1001 HG3 LYS 130 HG1 LYS 130 -9.306 -8.918 4.900 1002 HD2 LYS 130 HD2 LYS 130 -10.137 -11.402 6.221 1003 HD3 LYS 130 HD1 LYS 130 -10.908 -10.858 4.702 1004 HE2 LYS 130 HE2 LYS 130 -8.044 -11.720 5.222 1005 HE3 LYS 130 HE1 LYS 130 -9.213 -12.530 4.183 1006 HZ1 LYS 130 HZ1 LYS 130 -7.641 -11.343 2.866 1007 HZ2 LYS 130 HZ2 LYS 130 -7.897 -9.906 3.679 1008 HZ3 LYS 130 HZ3 LYS 130 -9.122 -10.558 2.703 1009 H ASP 131 HN ASP 131 -7.878 -10.061 8.983 1010 HA ASP 131 HA ASP 131 -5.206 -9.235 9.872 1011 HB2 ASP 131 HB2 ASP 131 -6.754 -8.818 11.681 1012 HB3 ASP 131 HB1 ASP 131 -7.449 -10.428 11.496 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -19.078 -12.439 35.537 2 H2 MET 1 HT2 MET 1 -17.733 -11.468 35.696 3 H3 MET 1 HT3 MET 1 -17.551 -13.140 35.781 4 HA MET 1 HA MET 1 -16.790 -12.172 33.721 5 HB2 MET 1 HB2 MET 1 -18.035 -13.642 32.136 6 HB3 MET 1 HB1 MET 1 -17.557 -14.479 33.591 7 HG2 MET 1 HG2 MET 1 -19.734 -15.231 33.018 8 HG3 MET 1 HG1 MET 1 -19.899 -14.205 34.435 9 HE1 MET 1 HE1 MET 1 -20.481 -14.542 30.559 10 HE2 MET 1 HE2 MET 1 -19.466 -13.097 30.624 11 HE3 MET 1 HE3 MET 1 -21.155 -12.966 30.146 12 H HIS 2 HN HIS 2 -17.482 -11.315 31.607 13 HA HIS 2 HA HIS 2 -19.877 -9.690 31.652 14 HB2 HIS 2 HB2 HIS 2 -18.242 -8.223 32.742 15 HB3 HIS 2 HB1 HIS 2 -17.089 -8.497 31.444 16 HD1 HIS 2 HD1 HIS 2 -17.006 -6.635 29.799 17 HD2 HIS 2 HD2 HIS 2 -20.714 -6.902 31.648 18 HE1 HIS 2 HE1 HIS 2 -18.353 -4.677 28.952 19 H HIS 3 HN HIS 3 -16.793 -10.119 29.933 20 HA HIS 3 HA HIS 3 -16.236 -10.293 27.795 21 HB2 HIS 3 HB2 HIS 3 -18.692 -12.062 27.707 22 HB3 HIS 3 HB1 HIS 3 -17.549 -11.924 26.376 23 HD1 HIS 3 HD1 HIS 3 -18.239 -14.460 28.453 24 HD2 HIS 3 HD2 HIS 3 -14.780 -12.188 28.072 25 HE1 HIS 3 HE1 HIS 3 -16.372 -15.867 29.382 26 H HIS 4 HN HIS 4 -16.412 -8.162 27.360 27 HA HIS 4 HA HIS 4 -18.765 -6.943 26.397 28 HB2 HIS 4 HB2 HIS 4 -16.899 -5.636 27.347 29 HB3 HIS 4 HB1 HIS 4 -15.873 -6.101 26.000 30 HD1 HIS 4 HD1 HIS 4 -15.828 -4.444 24.070 31 HD2 HIS 4 HD2 HIS 4 -19.215 -4.080 26.459 32 HE1 HIS 4 HE1 HIS 4 -17.104 -2.497 23.172 33 H HIS 5 HN HIS 5 -15.879 -8.126 24.710 34 HA HIS 5 HA HIS 5 -17.341 -7.864 22.229 35 HB2 HIS 5 HB2 HIS 5 -14.435 -8.576 22.692 36 HB3 HIS 5 HB1 HIS 5 -15.197 -8.495 21.108 37 HD1 HIS 5 HD1 HIS 5 -15.706 -6.096 20.164 38 HD2 HIS 5 HD2 HIS 5 -13.885 -6.146 23.900 39 HE1 HIS 5 HE1 HIS 5 -14.937 -3.743 20.600 40 H HIS 6 HN HIS 6 -18.854 -9.486 22.729 41 HA HIS 6 HA HIS 6 -17.763 -12.172 22.421 42 HB2 HIS 6 HB2 HIS 6 -19.531 -11.797 24.215 43 HB3 HIS 6 HB1 HIS 6 -20.671 -11.415 22.932 44 HD1 HIS 6 HD1 HIS 6 -19.002 -14.328 24.634 45 HD2 HIS 6 HD2 HIS 6 -21.522 -13.635 21.399 46 HE1 HIS 6 HE1 HIS 6 -19.934 -16.553 23.992 47 H HIS 7 HN HIS 7 -17.045 -11.486 20.425 48 HA HIS 7 HA HIS 7 -18.460 -12.344 18.249 49 HB2 HIS 7 HB2 HIS 7 -18.611 -10.159 16.979 50 HB3 HIS 7 HB1 HIS 7 -19.759 -10.271 18.297 51 HD1 HIS 7 HD1 HIS 7 -19.782 -8.283 19.894 52 HD2 HIS 7 HD2 HIS 7 -16.321 -8.433 17.592 53 HE1 HIS 7 HE1 HIS 7 -18.558 -6.147 20.341 54 H SER 8 HN SER 8 -17.034 -11.592 16.247 55 HA SER 8 HA SER 8 -14.312 -11.971 17.194 56 HB2 SER 8 HB2 SER 8 -15.395 -12.065 14.388 57 HB3 SER 8 HB1 SER 8 -13.833 -12.660 14.959 58 HG SER 8 HG SER 8 -16.130 -13.590 16.205 59 H SER 9 HN SER 9 -12.566 -10.681 16.237 60 HA SER 9 HA SER 9 -13.067 -7.935 16.356 61 HB2 SER 9 HB2 SER 9 -10.662 -9.386 15.230 62 HB3 SER 9 HB1 SER 9 -10.707 -7.723 15.819 63 HG SER 9 HG SER 9 -9.890 -9.265 17.324 64 H GLY 10 HN GLY 10 -14.191 -6.913 14.885 65 HA2 GLY 10 HA2 GLY 10 -13.654 -6.195 12.414 66 HA3 GLY 10 HA1 GLY 10 -14.230 -7.834 12.130 67 H LEU 11 HN LEU 11 -16.078 -7.603 14.468 68 HA LEU 11 HA LEU 11 -18.275 -6.348 13.023 69 HB2 LEU 11 HB2 LEU 11 -18.436 -8.637 14.075 70 HB3 LEU 11 HB1 LEU 11 -18.292 -7.876 15.642 71 HG LEU 11 HG LEU 11 -20.433 -6.694 15.246 72 HD11 LEU 11 HD11 LEU 11 -20.415 -6.574 12.836 73 HD12 LEU 11 HD12 LEU 11 -21.869 -7.397 13.394 74 HD13 LEU 11 HD13 LEU 11 -20.532 -8.328 12.723 75 HD21 LEU 11 HD21 LEU 11 -20.554 -9.696 14.943 76 HD22 LEU 11 HD22 LEU 11 -21.886 -8.663 15.456 77 HD23 LEU 11 HD23 LEU 11 -20.440 -8.794 16.454 78 H VAL 12 HN VAL 12 -16.193 -4.724 14.229 79 HA VAL 12 HA VAL 12 -17.612 -3.305 16.376 80 HB VAL 12 HB VAL 12 -14.683 -3.151 15.566 81 HG11 VAL 12 HG11 VAL 12 -16.072 -2.002 17.978 82 HG12 VAL 12 HG12 VAL 12 -15.449 -1.096 16.600 83 HG13 VAL 12 HG13 VAL 12 -14.335 -1.950 17.667 84 HG21 VAL 12 HG21 VAL 12 -14.192 -4.400 17.627 85 HG22 VAL 12 HG22 VAL 12 -15.179 -5.340 16.509 86 HG23 VAL 12 HG23 VAL 12 -15.922 -4.580 17.916 87 HA PRO 13 HA PRO 13 -18.398 -0.090 13.244 88 HB2 PRO 13 HB2 PRO 13 -18.338 1.658 15.673 89 HB3 PRO 13 HB1 PRO 13 -19.558 1.570 14.398 90 HG2 PRO 13 HG2 PRO 13 -20.041 0.489 16.769 91 HG3 PRO 13 HG1 PRO 13 -20.541 -0.344 15.284 92 HD2 PRO 13 HD2 PRO 13 -18.221 -0.907 17.088 93 HD3 PRO 13 HD1 PRO 13 -19.294 -2.041 16.240 94 H ARG 14 HN ARG 14 -16.638 0.287 12.129 95 HA ARG 14 HA ARG 14 -14.147 1.139 13.421 96 HB2 ARG 14 HB2 ARG 14 -14.382 -0.889 11.938 97 HB3 ARG 14 HB1 ARG 14 -14.608 0.226 10.605 98 HG2 ARG 14 HG2 ARG 14 -12.395 1.176 11.047 99 HG3 ARG 14 HG1 ARG 14 -12.181 -0.003 12.347 100 HD2 ARG 14 HD2 ARG 14 -12.490 -0.526 9.411 101 HD3 ARG 14 HD1 ARG 14 -11.101 -0.887 10.435 102 HE ARG 14 HE ARG 14 -12.864 -2.370 11.628 103 HH11 ARG 14 HH11 ARG 14 -12.497 -1.925 8.113 104 HH12 ARG 14 HH12 ARG 14 -13.115 -3.483 7.746 105 HH21 ARG 14 HH21 ARG 14 -13.780 -4.408 11.084 106 HH22 ARG 14 HH22 ARG 14 -13.904 -4.910 9.447 107 H GLY 15 HN GLY 15 -16.625 2.233 11.310 108 HA2 GLY 15 HA2 GLY 15 -16.945 4.469 10.678 109 HA3 GLY 15 HA1 GLY 15 -15.218 4.756 10.890 110 H SER 16 HN SER 16 -16.609 2.047 9.133 111 HA SER 16 HA SER 16 -16.361 1.279 7.029 112 HB2 SER 16 HB2 SER 16 -16.792 4.199 6.451 113 HB3 SER 16 HB1 SER 16 -17.072 2.876 5.299 114 HG SER 16 HG SER 16 -18.798 3.864 6.921 115 H ASP 17 HN ASP 17 -13.907 1.585 8.174 116 HA ASP 17 HA ASP 17 -12.230 2.752 6.058 117 HB2 ASP 17 HB2 ASP 17 -12.026 3.966 8.136 118 HB3 ASP 17 HB1 ASP 17 -11.645 2.488 9.012 119 H THR 18 HN THR 18 -10.710 1.501 5.165 120 HA THR 18 HA THR 18 -9.925 -0.930 6.535 121 HB THR 18 HB THR 18 -9.735 -2.038 4.251 122 HG1 THR 18 HG1 THR 18 -11.418 0.132 3.510 123 HG21 THR 18 HG21 THR 18 -12.488 -1.275 5.201 124 HG22 THR 18 HG22 THR 18 -11.535 -2.637 5.777 125 HG23 THR 18 HG23 THR 18 -12.144 -2.624 4.114 126 H SER 19 HN SER 19 -8.928 1.845 6.179 127 HA SER 19 HA SER 19 -6.575 1.556 4.498 128 HB2 SER 19 HB2 SER 19 -7.647 3.958 5.994 129 HB3 SER 19 HB1 SER 19 -6.370 3.960 4.780 130 HG SER 19 HG SER 19 -8.447 4.590 4.022 131 H LYS 20 HN LYS 20 -7.597 1.923 7.863 132 HA LYS 20 HA LYS 20 -5.087 2.588 8.930 133 HB2 LYS 20 HB2 LYS 20 -6.038 2.222 11.111 134 HB3 LYS 20 HB1 LYS 20 -7.270 2.934 10.098 135 HG2 LYS 20 HG2 LYS 20 -8.505 1.343 11.200 136 HG3 LYS 20 HG1 LYS 20 -8.000 0.411 9.789 137 HD2 LYS 20 HD2 LYS 20 -6.129 -0.518 11.080 138 HD3 LYS 20 HD1 LYS 20 -6.637 0.413 12.486 139 HE2 LYS 20 HE2 LYS 20 -8.807 -0.812 12.422 140 HE3 LYS 20 HE1 LYS 20 -8.153 -1.805 11.123 141 HZ1 LYS 20 HZ1 LYS 20 -7.868 -2.919 13.245 142 HZ2 LYS 20 HZ2 LYS 20 -7.093 -1.580 13.871 143 HZ3 LYS 20 HZ3 LYS 20 -6.343 -2.454 12.650 144 H PHE 21 HN PHE 21 -6.173 -0.303 7.702 145 HA PHE 21 HA PHE 21 -4.713 -2.190 9.229 146 HB2 PHE 21 HB2 PHE 21 -5.771 -2.292 6.399 147 HB3 PHE 21 HB1 PHE 21 -5.006 -3.661 7.190 148 HD1 PHE 21 HD2 PHE 21 -7.909 -1.374 7.355 149 HD2 PHE 21 HD1 PHE 21 -6.201 -5.029 8.645 150 HE1 PHE 21 HE2 PHE 21 -10.083 -2.039 8.328 151 HE2 PHE 21 HE1 PHE 21 -8.351 -5.711 9.614 152 HZ PHE 21 HZ PHE 21 -10.301 -4.212 9.455 153 H TRP 22 HN TRP 22 -3.945 -0.307 6.338 154 HA TRP 22 HA TRP 22 -1.261 -1.410 6.507 155 HB2 TRP 22 HB2 TRP 22 -0.967 -0.401 4.168 156 HB3 TRP 22 HB1 TRP 22 -1.960 -1.836 4.329 157 HD1 TRP 22 HD1 TRP 22 -4.243 -1.743 3.207 158 HE1 TRP 22 HE1 TRP 22 -5.705 0.062 2.131 159 HE3 TRP 22 HE3 TRP 22 -1.559 2.445 4.551 160 HZ2 TRP 22 HZ2 TRP 22 -5.741 2.871 1.875 161 HZ3 TRP 22 HZ3 TRP 22 -2.404 4.623 3.847 162 HH2 TRP 22 HH2 TRP 22 -4.443 4.836 2.547 163 H TYR 23 HN TYR 23 -2.891 1.201 7.503 164 HA TYR 23 HA TYR 23 -0.731 3.053 6.923 165 HB2 TYR 23 HB2 TYR 23 -3.120 3.732 6.606 166 HB3 TYR 23 HB1 TYR 23 -3.335 3.595 8.345 167 HD1 TYR 23 HD1 TYR 23 -1.257 5.320 5.803 168 HD2 TYR 23 HD2 TYR 23 -2.958 5.457 9.691 169 HE1 TYR 23 HE1 TYR 23 -0.489 7.612 6.032 170 HE2 TYR 23 HE2 TYR 23 -2.195 7.774 9.948 171 HH TYR 23 HH TYR 23 -1.118 9.648 7.392 172 H LYS 24 HN LYS 24 0.893 3.106 8.195 173 HA LYS 24 HA LYS 24 0.507 3.008 11.098 174 HB2 LYS 24 HB2 LYS 24 1.999 1.113 9.498 175 HB3 LYS 24 HB1 LYS 24 3.079 1.925 10.619 176 HG2 LYS 24 HG2 LYS 24 2.364 0.012 11.759 177 HG3 LYS 24 HG1 LYS 24 1.378 1.305 12.423 178 HD2 LYS 24 HD2 LYS 24 -0.229 -0.313 12.064 179 HD3 LYS 24 HD1 LYS 24 -0.264 0.578 10.528 180 HE2 LYS 24 HE2 LYS 24 1.102 -1.100 9.457 181 HE3 LYS 24 HE1 LYS 24 1.365 -1.912 10.975 182 HZ1 LYS 24 HZ1 LYS 24 -1.068 -2.294 11.100 183 HZ2 LYS 24 HZ2 LYS 24 -0.315 -3.132 9.886 184 HZ3 LYS 24 HZ3 LYS 24 -1.242 -1.787 9.508 185 HA PRO 25 HA PRO 25 2.727 6.758 9.721 186 HB2 PRO 25 HB2 PRO 25 1.661 8.489 11.469 187 HB3 PRO 25 HB1 PRO 25 0.789 7.930 10.040 188 HG2 PRO 25 HG2 PRO 25 0.530 7.054 12.880 189 HG3 PRO 25 HG1 PRO 25 -0.738 7.322 11.679 190 HD2 PRO 25 HD2 PRO 25 0.239 4.833 12.334 191 HD3 PRO 25 HD1 PRO 25 -0.495 5.232 10.768 192 H HIS 26 HN HIS 26 2.923 5.156 12.754 193 HA HIS 26 HA HIS 26 4.917 7.053 13.778 194 HB2 HIS 26 HB2 HIS 26 3.571 4.695 15.124 195 HB3 HIS 26 HB1 HIS 26 4.821 5.673 15.874 196 HD1 HIS 26 HD1 HIS 26 4.043 7.751 17.085 197 HD2 HIS 26 HD2 HIS 26 1.144 6.156 14.576 198 HE1 HIS 26 HE1 HIS 26 1.925 9.028 17.565 199 H LEU 27 HN LEU 27 5.285 5.049 11.556 200 HA LEU 27 HA LEU 27 7.457 3.509 12.742 201 HB2 LEU 27 HB2 LEU 27 5.692 2.996 10.393 202 HB3 LEU 27 HB1 LEU 27 7.296 2.307 10.405 203 HG LEU 27 HG LEU 27 5.561 0.711 11.151 204 HD11 LEU 27 HD11 LEU 27 7.502 1.491 13.308 205 HD12 LEU 27 HD12 LEU 27 7.833 0.459 11.917 206 HD13 LEU 27 HD13 LEU 27 6.687 -0.063 13.151 207 HD21 LEU 27 HD21 LEU 27 4.050 2.311 12.295 208 HD22 LEU 27 HD22 LEU 27 5.293 2.493 13.544 209 HD23 LEU 27 HD23 LEU 27 4.517 0.932 13.303 210 H SER 28 HN SER 28 9.429 3.954 12.320 211 HA SER 28 HA SER 28 10.146 5.872 10.265 212 HB2 SER 28 HB2 SER 28 11.131 5.971 12.587 213 HB3 SER 28 HB1 SER 28 11.883 4.409 12.287 214 HG SER 28 HG SER 28 12.397 6.905 11.116 215 H ARG 29 HN ARG 29 12.309 5.158 9.074 216 HA ARG 29 HA ARG 29 11.595 3.393 7.086 217 HB2 ARG 29 HB2 ARG 29 13.454 4.999 6.868 218 HB3 ARG 29 HB1 ARG 29 14.433 4.005 7.938 219 HG2 ARG 29 HG2 ARG 29 13.600 2.237 5.971 220 HG3 ARG 29 HG1 ARG 29 13.934 3.723 5.089 221 HD2 ARG 29 HD2 ARG 29 15.832 2.344 6.990 222 HD3 ARG 29 HD1 ARG 29 15.900 2.228 5.237 223 HE ARG 29 HE ARG 29 16.137 4.790 5.446 224 HH11 ARG 29 HH11 ARG 29 17.604 2.368 7.603 225 HH12 ARG 29 HH12 ARG 29 18.989 3.283 7.950 226 HH21 ARG 29 HH21 ARG 29 18.101 6.054 5.918 227 HH22 ARG 29 HH22 ARG 29 19.289 5.418 6.943 228 H ASP 30 HN ASP 30 13.830 2.693 9.742 229 HA ASP 30 HA ASP 30 14.397 0.053 8.848 230 HB2 ASP 30 HB2 ASP 30 15.939 1.385 10.253 231 HB3 ASP 30 HB1 ASP 30 14.822 1.209 11.599 232 H GLN 31 HN GLN 31 12.138 1.330 11.171 233 HA GLN 31 HA GLN 31 11.380 -1.251 12.139 234 HB2 GLN 31 HB2 GLN 31 10.190 1.482 12.529 235 HB3 GLN 31 HB1 GLN 31 9.482 0.052 13.245 236 HG2 GLN 31 HG2 GLN 31 12.266 1.098 13.732 237 HG3 GLN 31 HG1 GLN 31 10.896 1.237 14.830 238 HE21 GLN 31 HE21 GLN 31 13.460 0.001 15.277 239 HE22 GLN 31 HE22 GLN 31 13.162 -1.641 15.703 240 H ALA 32 HN ALA 32 10.203 0.940 9.679 241 HA ALA 32 HA ALA 32 7.766 -0.306 9.066 242 HB1 ALA 32 HB1 ALA 32 9.734 1.019 7.207 243 HB2 ALA 32 HB2 ALA 32 8.474 1.855 8.114 244 HB3 ALA 32 HB3 ALA 32 8.035 0.705 6.838 245 H ILE 33 HN ILE 33 11.024 -0.773 7.899 246 HA ILE 33 HA ILE 33 10.615 -2.886 6.110 247 HB ILE 33 HB ILE 33 13.045 -2.240 7.811 248 HG12 ILE 33 HG12 ILE 33 12.482 -1.526 4.929 249 HG13 ILE 33 HG11 ILE 33 12.218 -0.440 6.288 250 HG21 ILE 33 HG21 ILE 33 14.357 -3.519 6.190 251 HG22 ILE 33 HG22 ILE 33 12.893 -3.937 5.312 252 HG23 ILE 33 HG23 ILE 33 13.140 -4.549 6.951 253 HD11 ILE 33 HD11 ILE 33 14.283 0.051 5.176 254 HD12 ILE 33 HD12 ILE 33 14.848 -1.610 5.434 255 HD13 ILE 33 HD13 ILE 33 14.568 -0.535 6.813 256 H ALA 34 HN ALA 34 11.437 -2.852 9.531 257 HA ALA 34 HA ALA 34 11.711 -5.596 9.909 258 HB1 ALA 34 HB1 ALA 34 12.469 -3.942 11.501 259 HB2 ALA 34 HB2 ALA 34 11.493 -5.212 12.238 260 HB3 ALA 34 HB3 ALA 34 10.789 -3.608 11.958 261 H LEU 35 HN LEU 35 8.808 -3.619 10.344 262 HA LEU 35 HA LEU 35 7.097 -5.694 11.157 263 HB2 LEU 35 HB2 LEU 35 6.617 -3.142 9.745 264 HB3 LEU 35 HB1 LEU 35 5.336 -4.251 10.195 265 HG LEU 35 HG LEU 35 7.220 -2.869 12.101 266 HD11 LEU 35 HD11 LEU 35 5.574 -1.479 11.045 267 HD12 LEU 35 HD12 LEU 35 5.140 -1.788 12.761 268 HD13 LEU 35 HD13 LEU 35 4.369 -2.707 11.438 269 HD21 LEU 35 HD21 LEU 35 5.750 -3.802 13.822 270 HD22 LEU 35 HD22 LEU 35 6.579 -5.084 12.944 271 HD23 LEU 35 HD23 LEU 35 4.885 -4.707 12.584 272 H LEU 36 HN LEU 36 7.834 -4.334 8.054 273 HA LEU 36 HA LEU 36 5.897 -5.732 6.561 274 HB2 LEU 36 HB2 LEU 36 6.804 -3.551 6.029 275 HB3 LEU 36 HB1 LEU 36 8.363 -4.275 5.736 276 HG LEU 36 HG LEU 36 7.404 -5.545 3.895 277 HD11 LEU 36 HD11 LEU 36 4.953 -3.903 4.471 278 HD12 LEU 36 HD12 LEU 36 5.106 -5.663 4.580 279 HD13 LEU 36 HD13 LEU 36 5.218 -4.863 3.019 280 HD21 LEU 36 HD21 LEU 36 8.544 -3.460 3.562 281 HD22 LEU 36 HD22 LEU 36 7.032 -2.575 3.771 282 HD23 LEU 36 HD23 LEU 36 7.246 -3.655 2.388 283 H LYS 37 HN LYS 37 9.341 -6.293 7.131 284 HA LYS 37 HA LYS 37 9.861 -8.069 5.064 285 HB2 LYS 37 HB2 LYS 37 11.822 -8.800 6.342 286 HB3 LYS 37 HB1 LYS 37 11.661 -7.053 6.328 287 HG2 LYS 37 HG2 LYS 37 10.612 -7.240 8.609 288 HG3 LYS 37 HG1 LYS 37 11.065 -8.941 8.593 289 HD2 LYS 37 HD2 LYS 37 13.029 -6.669 8.254 290 HD3 LYS 37 HD1 LYS 37 12.672 -7.416 9.803 291 HE2 LYS 37 HE2 LYS 37 13.713 -8.835 7.392 292 HE3 LYS 37 HE1 LYS 37 14.735 -8.262 8.703 293 HZ1 LYS 37 HZ1 LYS 37 14.287 -10.574 9.020 294 HZ2 LYS 37 HZ2 LYS 37 12.651 -10.385 8.834 295 HZ3 LYS 37 HZ3 LYS 37 13.410 -9.755 10.210 296 H ASP 38 HN ASP 38 8.269 -8.712 8.077 297 HA ASP 38 HA ASP 38 8.464 -11.587 7.563 298 HB2 ASP 38 HB2 ASP 38 9.054 -10.764 9.837 299 HB3 ASP 38 HB1 ASP 38 7.417 -10.160 10.028 300 H LYS 39 HN LYS 39 6.551 -9.323 6.404 301 HA LYS 39 HA LYS 39 4.080 -10.676 7.030 302 HB2 LYS 39 HB2 LYS 39 4.448 -8.208 5.348 303 HB3 LYS 39 HB1 LYS 39 2.895 -8.993 5.625 304 HG2 LYS 39 HG2 LYS 39 3.454 -8.699 8.134 305 HG3 LYS 39 HG1 LYS 39 4.637 -7.523 7.569 306 HD2 LYS 39 HD2 LYS 39 1.649 -7.454 7.099 307 HD3 LYS 39 HD1 LYS 39 2.560 -6.423 8.194 308 HE2 LYS 39 HE2 LYS 39 3.790 -5.547 6.207 309 HE3 LYS 39 HE1 LYS 39 2.699 -6.487 5.190 310 HZ1 LYS 39 HZ1 LYS 39 1.943 -4.312 7.058 311 HZ2 LYS 39 HZ2 LYS 39 0.824 -5.206 6.213 312 HZ3 LYS 39 HZ3 LYS 39 1.884 -4.191 5.377 313 H ASP 40 HN ASP 40 4.947 -9.661 3.862 314 HA ASP 40 HA ASP 40 5.003 -12.283 2.758 315 HB2 ASP 40 HB2 ASP 40 2.625 -12.286 3.384 316 HB3 ASP 40 HB1 ASP 40 2.382 -10.773 2.530 317 HA PRO 41 HA PRO 41 6.703 -9.678 -0.531 318 HB2 PRO 41 HB2 PRO 41 6.064 -12.044 -2.216 319 HB3 PRO 41 HB1 PRO 41 7.591 -11.176 -2.046 320 HG2 PRO 41 HG2 PRO 41 7.265 -13.567 -0.930 321 HG3 PRO 41 HG1 PRO 41 8.169 -12.278 -0.113 322 HD2 PRO 41 HD2 PRO 41 5.405 -13.281 0.425 323 HD3 PRO 41 HD1 PRO 41 6.653 -12.725 1.559 324 H GLY 42 HN GLY 42 5.300 -8.155 -1.064 325 HA2 GLY 42 HA2 GLY 42 3.776 -7.569 -2.931 326 HA3 GLY 42 HA1 GLY 42 2.767 -8.894 -2.347 327 H ALA 43 HN ALA 43 3.589 -8.236 0.445 328 HA ALA 43 HA ALA 43 1.402 -6.456 0.957 329 HB1 ALA 43 HB1 ALA 43 3.378 -7.645 2.918 330 HB2 ALA 43 HB2 ALA 43 1.860 -8.392 2.430 331 HB3 ALA 43 HB3 ALA 43 1.845 -6.866 3.308 332 H PHE 44 HN PHE 44 1.571 -4.528 2.227 333 HA PHE 44 HA PHE 44 4.121 -3.135 2.120 334 HB2 PHE 44 HB2 PHE 44 3.167 -1.263 0.890 335 HB3 PHE 44 HB1 PHE 44 2.980 -2.727 -0.061 336 HD1 PHE 44 HD2 PHE 44 0.670 -3.904 0.052 337 HD2 PHE 44 HD1 PHE 44 1.326 0.104 1.326 338 HE1 PHE 44 HE2 PHE 44 -1.731 -3.455 -0.133 339 HE2 PHE 44 HE1 PHE 44 -1.079 0.557 1.144 340 HZ PHE 44 HZ PHE 44 -2.612 -1.223 0.415 341 H LEU 45 HN LEU 45 3.693 -0.859 3.088 342 HA LEU 45 HA LEU 45 1.288 -0.463 4.530 343 HB2 LEU 45 HB2 LEU 45 2.149 -0.161 6.763 344 HB3 LEU 45 HB1 LEU 45 2.661 -1.742 6.253 345 HG LEU 45 HG LEU 45 4.492 0.656 6.167 346 HD11 LEU 45 HD11 LEU 45 3.675 0.327 8.452 347 HD12 LEU 45 HD12 LEU 45 5.377 -0.121 8.317 348 HD13 LEU 45 HD13 LEU 45 4.137 -1.368 8.384 349 HD21 LEU 45 HD21 LEU 45 5.157 -1.290 4.820 350 HD22 LEU 45 HD22 LEU 45 5.020 -2.314 6.247 351 HD23 LEU 45 HD23 LEU 45 6.244 -1.044 6.188 352 H ILE 46 HN ILE 46 1.051 1.709 5.120 353 HA ILE 46 HA ILE 46 3.005 3.437 3.815 354 HB ILE 46 HB ILE 46 0.005 3.872 4.081 355 HG12 ILE 46 HG12 ILE 46 1.761 3.428 1.660 356 HG13 ILE 46 HG11 ILE 46 0.623 2.264 2.324 357 HG21 ILE 46 HG21 ILE 46 0.370 5.934 2.778 358 HG22 ILE 46 HG22 ILE 46 2.110 5.662 2.858 359 HG23 ILE 46 HG23 ILE 46 1.202 5.985 4.335 360 HD11 ILE 46 HD11 ILE 46 -0.068 4.920 1.074 361 HD12 ILE 46 HD12 ILE 46 -1.226 3.770 1.744 362 HD13 ILE 46 HD13 ILE 46 -0.265 3.332 0.331 363 H ARG 47 HN ARG 47 3.974 4.749 5.027 364 HA ARG 47 HA ARG 47 2.949 5.325 7.728 365 HB2 ARG 47 HB2 ARG 47 5.302 5.481 8.426 366 HB3 ARG 47 HB1 ARG 47 4.942 3.894 7.770 367 HG2 ARG 47 HG2 ARG 47 5.982 4.574 5.641 368 HG3 ARG 47 HG1 ARG 47 6.397 6.126 6.370 369 HD2 ARG 47 HD2 ARG 47 7.638 4.871 8.134 370 HD3 ARG 47 HD1 ARG 47 7.331 3.401 7.214 371 HE ARG 47 HE ARG 47 8.742 4.158 5.520 372 HH11 ARG 47 HH11 ARG 47 8.690 6.345 8.339 373 HH12 ARG 47 HH12 ARG 47 10.124 7.147 7.908 374 HH21 ARG 47 HH21 ARG 47 10.748 5.265 4.969 375 HH22 ARG 47 HH22 ARG 47 11.341 6.502 5.976 376 H ASP 48 HN ASP 48 4.405 7.431 8.455 377 HA ASP 48 HA ASP 48 3.821 9.413 6.377 378 HB2 ASP 48 HB2 ASP 48 2.833 9.617 8.721 379 HB3 ASP 48 HB1 ASP 48 4.464 9.869 9.311 380 H SER 49 HN SER 49 5.541 10.709 5.598 381 HA SER 49 HA SER 49 8.167 9.576 6.274 382 HB2 SER 49 HB2 SER 49 7.408 9.011 4.013 383 HB3 SER 49 HB1 SER 49 7.206 10.716 3.638 384 HG SER 49 HG SER 49 9.521 9.179 3.762 385 H HIS 50 HN HIS 50 10.001 10.935 6.182 386 HA HIS 50 HA HIS 50 9.451 13.763 6.630 387 HB2 HIS 50 HB2 HIS 50 11.517 12.014 7.874 388 HB3 HIS 50 HB1 HIS 50 11.515 13.770 7.978 389 HD1 HIS 50 HD1 HIS 50 11.078 11.478 10.359 390 HD2 HIS 50 HD2 HIS 50 8.347 14.167 8.766 391 HE1 HIS 50 HE1 HIS 50 9.328 11.830 12.140 392 H SER 51 HN SER 51 9.805 14.255 4.695 393 HA SER 51 HA SER 51 12.542 14.568 3.806 394 HB2 SER 51 HB2 SER 51 10.399 13.153 2.253 395 HB3 SER 51 HB1 SER 51 11.913 13.706 1.486 396 HG SER 51 HG SER 51 12.095 12.152 3.769 397 H PHE 52 HN PHE 52 9.151 14.783 2.897 398 HA PHE 52 HA PHE 52 9.331 17.675 2.815 399 HB2 PHE 52 HB2 PHE 52 7.663 15.871 1.011 400 HB3 PHE 52 HB1 PHE 52 7.609 17.629 1.034 401 HD1 PHE 52 HD1 PHE 52 9.569 18.917 0.263 402 HD2 PHE 52 HD2 PHE 52 9.289 14.711 -0.215 403 HE1 PHE 52 HE1 PHE 52 11.345 19.000 -1.453 404 HE2 PHE 52 HE2 PHE 52 11.048 14.763 -1.907 405 HZ PHE 52 HZ PHE 52 12.089 16.917 -2.541 406 H GLN 53 HN GLN 53 7.528 18.548 3.866 407 HA GLN 53 HA GLN 53 6.269 16.661 5.637 408 HB2 GLN 53 HB2 GLN 53 5.899 19.647 5.395 409 HB3 GLN 53 HB1 GLN 53 5.354 18.644 6.737 410 HG2 GLN 53 HG2 GLN 53 7.627 18.085 7.312 411 HG3 GLN 53 HG1 GLN 53 8.220 18.943 5.896 412 HE21 GLN 53 HE21 GLN 53 9.496 20.305 7.064 413 HE22 GLN 53 HE22 GLN 53 8.859 21.553 8.071 414 H GLY 54 HN GLY 54 4.437 15.727 5.273 415 HA2 GLY 54 HA2 GLY 54 2.191 15.645 4.437 416 HA3 GLY 54 HA1 GLY 54 2.655 16.828 3.208 417 H ALA 55 HN ALA 55 4.682 14.171 4.092 418 HA ALA 55 HA ALA 55 4.093 12.906 1.522 419 HB1 ALA 55 HB1 ALA 55 6.449 12.162 1.461 420 HB2 ALA 55 HB2 ALA 55 6.763 13.043 2.953 421 HB3 ALA 55 HB3 ALA 55 6.333 13.919 1.488 422 H TYR 56 HN TYR 56 3.986 10.749 1.541 423 HA TYR 56 HA TYR 56 3.936 9.447 4.184 424 HB2 TYR 56 HB2 TYR 56 2.333 8.704 1.713 425 HB3 TYR 56 HB1 TYR 56 2.289 7.894 3.263 426 HD1 TYR 56 HD2 TYR 56 1.141 8.848 5.132 427 HD2 TYR 56 HD1 TYR 56 1.257 10.863 1.400 428 HE1 TYR 56 HE2 TYR 56 -0.692 10.314 5.870 429 HE2 TYR 56 HE1 TYR 56 -0.569 12.336 2.124 430 HH TYR 56 HH TYR 56 -1.655 12.412 5.396 431 H GLY 57 HN GLY 57 4.935 7.457 4.296 432 HA2 GLY 57 HA2 GLY 57 6.715 6.994 2.022 433 HA3 GLY 57 HA1 GLY 57 7.143 6.536 3.653 434 H LEU 58 HN LEU 58 6.466 5.303 0.872 435 HA LEU 58 HA LEU 58 4.564 3.257 1.701 436 HB2 LEU 58 HB2 LEU 58 4.063 4.514 -0.368 437 HB3 LEU 58 HB1 LEU 58 5.626 4.112 -1.013 438 HG LEU 58 HG LEU 58 3.688 2.910 -2.054 439 HD11 LEU 58 HD11 LEU 58 4.690 0.701 -2.160 440 HD12 LEU 58 HD12 LEU 58 5.729 1.109 -0.792 441 HD13 LEU 58 HD13 LEU 58 5.891 1.984 -2.318 442 HD21 LEU 58 HD21 LEU 58 2.702 1.001 -0.859 443 HD22 LEU 58 HD22 LEU 58 2.304 2.547 -0.126 444 HD23 LEU 58 HD23 LEU 58 3.530 1.513 0.613 445 H ALA 59 HN ALA 59 5.429 1.455 2.395 446 HA ALA 59 HA ALA 59 8.074 0.682 1.395 447 HB1 ALA 59 HB1 ALA 59 6.740 -0.001 4.024 448 HB2 ALA 59 HB2 ALA 59 8.078 1.128 3.807 449 HB3 ALA 59 HB3 ALA 59 8.317 -0.591 3.497 450 H LEU 60 HN LEU 60 8.041 -1.023 0.139 451 HA LEU 60 HA LEU 60 5.685 -2.836 0.181 452 HB2 LEU 60 HB2 LEU 60 6.078 -1.135 -1.781 453 HB3 LEU 60 HB1 LEU 60 7.357 -2.218 -2.248 454 HG LEU 60 HG LEU 60 4.391 -2.766 -2.231 455 HD11 LEU 60 HD11 LEU 60 6.375 -2.644 -4.460 456 HD12 LEU 60 HD12 LEU 60 5.141 -1.447 -4.067 457 HD13 LEU 60 HD13 LEU 60 4.667 -3.054 -4.617 458 HD21 LEU 60 HD21 LEU 60 6.601 -4.702 -2.909 459 HD22 LEU 60 HD22 LEU 60 4.875 -4.976 -3.181 460 HD23 LEU 60 HD23 LEU 60 5.502 -4.824 -1.539 461 H LYS 61 HN LYS 61 6.333 -4.891 0.695 462 HA LYS 61 HA LYS 61 9.145 -5.632 0.383 463 HB2 LYS 61 HB2 LYS 61 8.225 -6.336 2.440 464 HB3 LYS 61 HB1 LYS 61 6.766 -6.991 1.694 465 HG2 LYS 61 HG2 LYS 61 8.141 -8.806 2.424 466 HG3 LYS 61 HG1 LYS 61 8.244 -8.742 0.668 467 HD2 LYS 61 HD2 LYS 61 10.392 -7.513 0.889 468 HD3 LYS 61 HD1 LYS 61 10.289 -7.723 2.640 469 HE2 LYS 61 HE2 LYS 61 10.433 -9.929 0.579 470 HE3 LYS 61 HE1 LYS 61 11.733 -9.425 1.652 471 HZ1 LYS 61 HZ1 LYS 61 9.143 -10.608 2.565 472 HZ2 LYS 61 HZ2 LYS 61 10.486 -10.255 3.550 473 HZ3 LYS 61 HZ3 LYS 61 10.589 -11.416 2.392 474 H VAL 62 HN VAL 62 9.688 -6.334 -1.550 475 HA VAL 62 HA VAL 62 7.645 -7.653 -3.171 476 HB VAL 62 HB VAL 62 9.061 -7.256 -5.098 477 HG11 VAL 62 HG11 VAL 62 8.883 -4.793 -3.375 478 HG12 VAL 62 HG12 VAL 62 7.670 -5.390 -4.494 479 HG13 VAL 62 HG13 VAL 62 9.218 -4.798 -5.103 480 HG21 VAL 62 HG21 VAL 62 11.258 -7.652 -4.098 481 HG22 VAL 62 HG22 VAL 62 11.130 -6.152 -3.186 482 HG23 VAL 62 HG23 VAL 62 11.240 -6.106 -4.946 483 H ALA 63 HN ALA 63 8.641 -9.532 -4.569 484 HA ALA 63 HA ALA 63 9.807 -11.359 -2.681 485 HB1 ALA 63 HB1 ALA 63 8.185 -12.164 -4.364 486 HB2 ALA 63 HB2 ALA 63 9.742 -12.974 -4.538 487 HB3 ALA 63 HB3 ALA 63 9.295 -11.684 -5.651 488 H THR 64 HN THR 64 10.715 -10.046 -5.790 489 HA THR 64 HA THR 64 13.380 -9.426 -4.988 490 HB THR 64 HB THR 64 14.278 -10.665 -7.081 491 HG1 THR 64 HG1 THR 64 12.525 -11.405 -8.031 492 HG21 THR 64 HG21 THR 64 13.524 -12.325 -4.664 493 HG22 THR 64 HG22 THR 64 14.977 -11.343 -4.838 494 HG23 THR 64 HG23 THR 64 14.744 -12.763 -5.858 495 HA PRO 65 HA PRO 65 12.238 -6.348 -8.100 496 HB2 PRO 65 HB2 PRO 65 15.160 -5.727 -8.075 497 HB3 PRO 65 HB1 PRO 65 13.789 -4.637 -7.844 498 HG2 PRO 65 HG2 PRO 65 15.299 -5.363 -5.763 499 HG3 PRO 65 HG1 PRO 65 13.539 -5.203 -5.600 500 HD2 PRO 65 HD2 PRO 65 15.200 -7.680 -5.947 501 HD3 PRO 65 HD1 PRO 65 13.828 -7.395 -4.827 502 HA PRO 66 HA PRO 66 15.058 -8.542 -11.464 503 HB2 PRO 66 HB2 PRO 66 16.710 -10.532 -10.613 504 HB3 PRO 66 HB1 PRO 66 17.210 -8.831 -10.492 505 HG2 PRO 66 HG2 PRO 66 15.942 -10.486 -8.380 506 HG3 PRO 66 HG1 PRO 66 17.478 -9.575 -8.340 507 HD2 PRO 66 HD2 PRO 66 15.265 -8.679 -7.412 508 HD3 PRO 66 HD1 PRO 66 16.400 -7.576 -8.258 509 HA PRO 67 HA PRO 67 12.229 -12.009 -12.003 510 HB2 PRO 67 HB2 PRO 67 14.484 -13.717 -12.935 511 HB3 PRO 67 HB1 PRO 67 12.941 -13.374 -13.722 512 HG2 PRO 67 HG2 PRO 67 15.164 -12.222 -14.586 513 HG3 PRO 67 HG1 PRO 67 13.651 -11.305 -14.503 514 HD2 PRO 67 HD2 PRO 67 16.019 -11.217 -12.689 515 HD3 PRO 67 HD1 PRO 67 14.972 -9.900 -13.225 516 H SER 68 HN SER 68 15.357 -13.175 -10.786 517 HA SER 68 HA SER 68 13.886 -14.517 -8.606 518 HB2 SER 68 HB2 SER 68 15.961 -15.969 -10.253 519 HB3 SER 68 HB1 SER 68 15.028 -16.631 -8.914 520 HG SER 68 HG SER 68 13.258 -15.659 -10.508 521 H ALA 69 HN ALA 69 16.611 -12.795 -9.670 522 HA ALA 69 HA ALA 69 18.564 -12.133 -8.837 523 HB1 ALA 69 HB1 ALA 69 18.727 -11.819 -6.352 524 HB2 ALA 69 HB2 ALA 69 17.143 -12.617 -6.199 525 HB3 ALA 69 HB3 ALA 69 17.302 -11.106 -7.089 526 H GLN 70 HN GLN 70 18.456 -14.602 -9.773 527 HA GLN 70 HA GLN 70 19.429 -16.573 -8.086 528 HB2 GLN 70 HB2 GLN 70 18.546 -17.173 -10.273 529 HB3 GLN 70 HB1 GLN 70 19.870 -16.354 -11.081 530 HG2 GLN 70 HG2 GLN 70 21.458 -17.924 -10.164 531 HG3 GLN 70 HG1 GLN 70 20.191 -18.669 -9.205 532 HE21 GLN 70 HE21 GLN 70 19.724 -17.679 -12.548 533 HE22 GLN 70 HE22 GLN 70 19.587 -19.281 -13.157 534 HA PRO 71 HA PRO 71 23.860 -15.175 -8.758 535 HB2 PRO 71 HB2 PRO 71 23.946 -12.516 -9.831 536 HB3 PRO 71 HB1 PRO 71 24.724 -13.972 -10.462 537 HG2 PRO 71 HG2 PRO 71 22.646 -12.676 -11.732 538 HG3 PRO 71 HG1 PRO 71 23.014 -14.393 -11.941 539 HD2 PRO 71 HD2 PRO 71 20.916 -13.090 -10.261 540 HD3 PRO 71 HD1 PRO 71 20.844 -14.606 -11.183 541 H TRP 72 HN TRP 72 23.283 -15.071 -6.704 542 HA TRP 72 HA TRP 72 22.400 -12.668 -5.366 543 HB2 TRP 72 HB2 TRP 72 21.620 -14.822 -4.597 544 HB3 TRP 72 HB1 TRP 72 23.269 -15.384 -4.367 545 HD1 TRP 72 HD1 TRP 72 24.619 -14.339 -2.283 546 HE1 TRP 72 HE1 TRP 72 23.843 -13.409 -0.097 547 HE3 TRP 72 HE3 TRP 72 19.732 -13.593 -3.521 548 HZ2 TRP 72 HZ2 TRP 72 21.358 -12.474 1.050 549 HZ3 TRP 72 HZ3 TRP 72 18.207 -12.693 -1.816 550 HH2 TRP 72 HH2 TRP 72 19.007 -12.148 0.421 551 H LYS 73 HN LYS 73 23.692 -11.351 -4.095 552 HA LYS 73 HA LYS 73 26.551 -12.032 -4.197 553 HB2 LYS 73 HB2 LYS 73 25.403 -9.255 -4.458 554 HB3 LYS 73 HB1 LYS 73 27.104 -9.673 -4.493 555 HG2 LYS 73 HG2 LYS 73 25.040 -10.482 -6.543 556 HG3 LYS 73 HG1 LYS 73 26.226 -9.201 -6.744 557 HD2 LYS 73 HD2 LYS 73 26.804 -12.154 -6.416 558 HD3 LYS 73 HD1 LYS 73 26.910 -11.239 -7.915 559 HE2 LYS 73 HE2 LYS 73 28.603 -10.849 -5.446 560 HE3 LYS 73 HE1 LYS 73 29.116 -11.595 -6.953 561 HZ1 LYS 73 HZ1 LYS 73 28.798 -9.461 -8.069 562 HZ2 LYS 73 HZ2 LYS 73 29.866 -9.325 -6.774 563 HZ3 LYS 73 HZ3 LYS 73 28.304 -8.760 -6.606 564 H GLY 74 HN GLY 74 24.003 -10.608 -2.371 565 HA2 GLY 74 HA2 GLY 74 24.552 -11.217 0.111 566 HA3 GLY 74 HA1 GLY 74 25.810 -9.994 -0.157 567 H ASP 75 HN ASP 75 22.457 -10.624 -0.570 568 HA ASP 75 HA ASP 75 21.928 -7.782 -0.866 569 HB2 ASP 75 HB2 ASP 75 20.375 -10.229 -1.665 570 HB3 ASP 75 HB1 ASP 75 19.870 -8.570 -1.976 571 HA PRO 76 HA PRO 76 20.058 -8.374 3.200 572 HB2 PRO 76 HB2 PRO 76 19.695 -5.732 3.740 573 HB3 PRO 76 HB1 PRO 76 21.250 -6.546 3.947 574 HG2 PRO 76 HG2 PRO 76 20.319 -4.768 1.747 575 HG3 PRO 76 HG1 PRO 76 21.924 -4.899 2.482 576 HD2 PRO 76 HD2 PRO 76 21.208 -6.028 0.076 577 HD3 PRO 76 HD1 PRO 76 22.536 -6.625 1.084 578 H VAL 77 HN VAL 77 17.969 -7.921 4.108 579 HA VAL 77 HA VAL 77 15.870 -8.169 2.251 580 HB VAL 77 HB VAL 77 15.866 -9.062 4.604 581 HG11 VAL 77 HG11 VAL 77 15.199 -6.236 5.369 582 HG12 VAL 77 HG12 VAL 77 16.663 -7.116 5.791 583 HG13 VAL 77 HG13 VAL 77 15.108 -7.634 6.440 584 HG21 VAL 77 HG21 VAL 77 13.458 -8.746 4.989 585 HG22 VAL 77 HG22 VAL 77 13.819 -9.070 3.293 586 HG23 VAL 77 HG23 VAL 77 13.453 -7.428 3.816 587 H GLU 78 HN GLU 78 17.393 -5.474 3.576 588 HA GLU 78 HA GLU 78 15.382 -3.506 3.383 589 HB2 GLU 78 HB2 GLU 78 18.375 -3.186 3.239 590 HB3 GLU 78 HB1 GLU 78 17.206 -1.923 3.625 591 HG2 GLU 78 HG2 GLU 78 16.541 -3.175 5.622 592 HG3 GLU 78 HG1 GLU 78 17.748 -4.397 5.244 593 H GLN 79 HN GLN 79 17.169 -5.138 0.999 594 HA GLN 79 HA GLN 79 16.829 -3.067 -1.004 595 HB2 GLN 79 HB2 GLN 79 18.809 -4.534 -1.112 596 HB3 GLN 79 HB1 GLN 79 17.755 -5.930 -1.285 597 HG2 GLN 79 HG2 GLN 79 16.897 -5.019 -3.394 598 HG3 GLN 79 HG1 GLN 79 17.978 -3.645 -3.231 599 HE21 GLN 79 HE21 GLN 79 18.878 -6.907 -2.379 600 HE22 GLN 79 HE22 GLN 79 20.001 -7.136 -3.662 601 H LEU 80 HN LEU 80 15.419 -6.120 -0.014 602 HA LEU 80 HA LEU 80 13.619 -6.306 -2.224 603 HB2 LEU 80 HB2 LEU 80 13.571 -7.787 0.430 604 HB3 LEU 80 HB1 LEU 80 12.508 -8.112 -0.922 605 HG LEU 80 HG LEU 80 14.119 -9.815 -0.916 606 HD11 LEU 80 HD11 LEU 80 15.220 -9.613 -3.040 607 HD12 LEU 80 HD12 LEU 80 14.934 -7.874 -3.027 608 HD13 LEU 80 HD13 LEU 80 13.566 -8.994 -3.073 609 HD21 LEU 80 HD21 LEU 80 16.274 -7.707 -0.768 610 HD22 LEU 80 HD22 LEU 80 16.555 -9.420 -1.068 611 HD23 LEU 80 HD23 LEU 80 15.862 -8.906 0.466 612 H VAL 81 HN VAL 81 13.557 -4.892 0.920 613 HA VAL 81 HA VAL 81 10.789 -4.141 0.600 614 HB VAL 81 HB VAL 81 12.825 -3.355 2.724 615 HG11 VAL 81 HG11 VAL 81 9.917 -2.605 2.440 616 HG12 VAL 81 HG12 VAL 81 11.298 -1.510 2.478 617 HG13 VAL 81 HG13 VAL 81 10.837 -2.407 3.929 618 HG21 VAL 81 HG21 VAL 81 12.092 -5.664 2.912 619 HG22 VAL 81 HG22 VAL 81 10.409 -5.163 2.801 620 HG23 VAL 81 HG23 VAL 81 11.361 -4.716 4.211 621 H ARG 82 HN ARG 82 10.336 -2.688 -0.770 622 HA ARG 82 HA ARG 82 12.344 -0.755 -1.621 623 HB2 ARG 82 HB2 ARG 82 9.569 -1.180 -2.722 624 HB3 ARG 82 HB1 ARG 82 10.867 -0.258 -3.451 625 HG2 ARG 82 HG2 ARG 82 10.749 -3.253 -3.123 626 HG3 ARG 82 HG1 ARG 82 10.624 -2.340 -4.626 627 HD2 ARG 82 HD2 ARG 82 13.024 -2.560 -2.820 628 HD3 ARG 82 HD1 ARG 82 12.833 -3.288 -4.415 629 HE ARG 82 HE ARG 82 12.584 -0.781 -5.084 630 HH11 ARG 82 HH11 ARG 82 14.883 -2.238 -2.863 631 HH12 ARG 82 HH12 ARG 82 16.038 -0.994 -2.981 632 HH21 ARG 82 HH21 ARG 82 14.164 0.948 -5.306 633 HH22 ARG 82 HH22 ARG 82 15.598 0.886 -4.415 634 H HIS 83 HN HIS 83 12.201 1.325 -1.138 635 HA HIS 83 HA HIS 83 9.822 2.217 0.318 636 HB2 HIS 83 HB2 HIS 83 12.649 2.502 0.960 637 HB3 HIS 83 HB1 HIS 83 11.820 4.055 0.922 638 HD1 HIS 83 HD1 HIS 83 12.198 0.982 2.993 639 HD2 HIS 83 HD2 HIS 83 9.730 4.325 2.814 640 HE1 HIS 83 HE1 HIS 83 11.024 1.108 5.215 641 H PHE 84 HN PHE 84 8.672 3.631 -0.609 642 HA PHE 84 HA PHE 84 9.835 5.530 -2.520 643 HB2 PHE 84 HB2 PHE 84 7.185 4.050 -2.742 644 HB3 PHE 84 HB1 PHE 84 7.641 5.399 -3.763 645 HD1 PHE 84 HD2 PHE 84 9.276 5.106 -5.532 646 HD2 PHE 84 HD1 PHE 84 8.121 1.834 -3.069 647 HE1 PHE 84 HE2 PHE 84 10.275 3.543 -7.137 648 HE2 PHE 84 HE1 PHE 84 9.126 0.276 -4.664 649 HZ PHE 84 HZ PHE 84 10.200 1.121 -6.706 650 H LEU 85 HN LEU 85 8.506 7.567 -2.514 651 HA LEU 85 HA LEU 85 6.721 7.554 -0.240 652 HB2 LEU 85 HB2 LEU 85 7.202 9.885 0.359 653 HB3 LEU 85 HB1 LEU 85 8.544 8.805 0.620 654 HG LEU 85 HG LEU 85 8.455 10.516 -1.851 655 HD11 LEU 85 HD11 LEU 85 9.394 11.264 0.923 656 HD12 LEU 85 HD12 LEU 85 8.061 12.017 0.038 657 HD13 LEU 85 HD13 LEU 85 9.719 12.195 -0.542 658 HD21 LEU 85 HD21 LEU 85 10.120 8.744 -1.646 659 HD22 LEU 85 HD22 LEU 85 10.599 9.413 -0.085 660 HD23 LEU 85 HD23 LEU 85 10.869 10.352 -1.566 661 H ILE 86 HN ILE 86 5.103 8.929 -0.165 662 HA ILE 86 HA ILE 86 3.949 9.516 -2.790 663 HB ILE 86 HB ILE 86 2.682 8.921 -0.115 664 HG12 ILE 86 HG12 ILE 86 2.748 7.216 -2.603 665 HG13 ILE 86 HG11 ILE 86 3.775 6.965 -1.194 666 HG21 ILE 86 HG21 ILE 86 0.566 8.832 -1.355 667 HG22 ILE 86 HG22 ILE 86 1.421 9.373 -2.807 668 HG23 ILE 86 HG23 ILE 86 1.322 10.423 -1.393 669 HD11 ILE 86 HD11 ILE 86 1.892 5.426 -1.213 670 HD12 ILE 86 HD12 ILE 86 0.770 6.788 -1.256 671 HD13 ILE 86 HD13 ILE 86 1.788 6.529 0.160 672 H GLU 87 HN GLU 87 3.410 11.582 -3.138 673 HA GLU 87 HA GLU 87 3.782 13.522 -0.936 674 HB2 GLU 87 HB2 GLU 87 4.021 13.986 -3.899 675 HB3 GLU 87 HB1 GLU 87 4.391 15.117 -2.609 676 HG2 GLU 87 HG2 GLU 87 6.315 13.877 -1.996 677 HG3 GLU 87 HG1 GLU 87 5.874 12.563 -3.091 678 H THR 88 HN THR 88 2.034 14.802 -0.555 679 HA THR 88 HA THR 88 -0.004 14.844 -2.617 680 HB THR 88 HB THR 88 -1.112 13.959 -0.725 681 HG1 THR 88 HG1 THR 88 -1.723 16.629 -0.243 682 HG21 THR 88 HG21 THR 88 0.198 16.082 0.965 683 HG22 THR 88 HG22 THR 88 0.566 14.350 0.945 684 HG23 THR 88 HG23 THR 88 -0.998 14.909 1.544 685 H GLY 89 HN GLY 89 -0.205 16.567 -3.695 686 HA2 GLY 89 HA2 GLY 89 0.698 19.115 -2.549 687 HA3 GLY 89 HA1 GLY 89 1.333 18.581 -4.099 688 HA PRO 90 HA PRO 90 -2.300 21.172 -5.070 689 HB2 PRO 90 HB2 PRO 90 -1.361 22.059 -7.475 690 HB3 PRO 90 HB1 PRO 90 -1.010 22.826 -5.922 691 HG2 PRO 90 HG2 PRO 90 0.695 21.036 -7.581 692 HG3 PRO 90 HG1 PRO 90 1.161 22.402 -6.563 693 HD2 PRO 90 HD2 PRO 90 1.450 19.766 -5.854 694 HD3 PRO 90 HD1 PRO 90 1.324 21.095 -4.693 695 H LYS 91 HN LYS 91 -0.676 18.888 -7.279 696 HA LYS 91 HA LYS 91 -2.952 18.657 -8.954 697 HB2 LYS 91 HB2 LYS 91 -0.442 17.022 -8.709 698 HB3 LYS 91 HB1 LYS 91 -1.748 16.550 -9.774 699 HG2 LYS 91 HG2 LYS 91 -0.214 17.683 -11.133 700 HG3 LYS 91 HG1 LYS 91 -1.532 18.816 -10.810 701 HD2 LYS 91 HD2 LYS 91 -0.146 19.852 -9.050 702 HD3 LYS 91 HD1 LYS 91 1.174 18.766 -9.532 703 HE2 LYS 91 HE2 LYS 91 1.130 19.676 -11.785 704 HE3 LYS 91 HE1 LYS 91 -0.219 20.713 -11.341 705 HZ1 LYS 91 HZ1 LYS 91 2.500 20.875 -10.151 706 HZ2 LYS 91 HZ2 LYS 91 1.213 21.949 -9.863 707 HZ3 LYS 91 HZ3 LYS 91 1.921 21.865 -11.379 708 H GLY 92 HN GLY 92 -1.887 17.179 -6.042 709 HA2 GLY 92 HA2 GLY 92 -3.908 16.108 -4.924 710 HA3 GLY 92 HA1 GLY 92 -3.797 14.989 -6.287 711 H VAL 93 HN VAL 93 -3.337 13.297 -4.909 712 HA VAL 93 HA VAL 93 -0.672 13.420 -3.721 713 HB VAL 93 HB VAL 93 -2.539 13.114 -2.084 714 HG11 VAL 93 HG11 VAL 93 -4.123 11.895 -3.397 715 HG12 VAL 93 HG12 VAL 93 -3.730 10.995 -1.933 716 HG13 VAL 93 HG13 VAL 93 -3.036 10.509 -3.478 717 HG21 VAL 93 HG21 VAL 93 -0.332 12.270 -1.561 718 HG22 VAL 93 HG22 VAL 93 -0.742 10.731 -2.320 719 HG23 VAL 93 HG23 VAL 93 -1.589 11.246 -0.862 720 H LYS 94 HN LYS 94 0.842 12.032 -4.440 721 HA LYS 94 HA LYS 94 0.092 9.634 -5.837 722 HB2 LYS 94 HB2 LYS 94 0.781 10.146 -8.011 723 HB3 LYS 94 HB1 LYS 94 -0.032 11.618 -7.532 724 HG2 LYS 94 HG2 LYS 94 2.950 11.154 -7.680 725 HG3 LYS 94 HG1 LYS 94 1.979 12.115 -8.779 726 HD2 LYS 94 HD2 LYS 94 1.526 13.708 -6.927 727 HD3 LYS 94 HD1 LYS 94 2.538 12.729 -5.864 728 HE2 LYS 94 HE2 LYS 94 4.412 13.019 -7.469 729 HE3 LYS 94 HE1 LYS 94 3.400 14.118 -8.395 730 HZ1 LYS 94 HZ1 LYS 94 3.289 15.471 -6.216 731 HZ2 LYS 94 HZ2 LYS 94 4.695 15.450 -7.102 732 HZ3 LYS 94 HZ3 LYS 94 4.621 14.507 -5.740 733 H ILE 95 HN ILE 95 2.165 8.558 -6.694 734 HA ILE 95 HA ILE 95 4.063 8.564 -4.520 735 HB ILE 95 HB ILE 95 3.997 6.908 -7.075 736 HG12 ILE 95 HG12 ILE 95 3.034 6.174 -4.300 737 HG13 ILE 95 HG11 ILE 95 1.984 6.592 -5.650 738 HG21 ILE 95 HG21 ILE 95 6.218 6.955 -6.074 739 HG22 ILE 95 HG22 ILE 95 5.492 5.360 -5.883 740 HG23 ILE 95 HG23 ILE 95 5.548 6.472 -4.513 741 HD11 ILE 95 HD11 ILE 95 2.801 4.626 -6.858 742 HD12 ILE 95 HD12 ILE 95 2.074 4.194 -5.310 743 HD13 ILE 95 HD13 ILE 95 3.831 4.218 -5.484 744 H LYS 96 HN LYS 96 6.133 9.288 -4.645 745 HA LYS 96 HA LYS 96 7.005 11.319 -6.308 746 HB2 LYS 96 HB2 LYS 96 8.101 10.820 -4.217 747 HB3 LYS 96 HB1 LYS 96 8.528 9.218 -4.775 748 HG2 LYS 96 HG2 LYS 96 10.526 10.479 -4.872 749 HG3 LYS 96 HG1 LYS 96 9.958 10.345 -6.534 750 HD2 LYS 96 HD2 LYS 96 10.626 12.588 -6.274 751 HD3 LYS 96 HD1 LYS 96 8.864 12.600 -6.176 752 HE2 LYS 96 HE2 LYS 96 9.006 12.622 -3.727 753 HE3 LYS 96 HE1 LYS 96 10.767 12.637 -3.838 754 HZ1 LYS 96 HZ1 LYS 96 10.435 14.750 -5.186 755 HZ2 LYS 96 HZ2 LYS 96 10.185 14.811 -3.542 756 HZ3 LYS 96 HZ3 LYS 96 8.847 14.756 -4.561 757 H GLY 97 HN GLY 97 7.805 7.874 -6.463 758 HA2 GLY 97 HA2 GLY 97 9.235 8.155 -8.932 759 HA3 GLY 97 HA1 GLY 97 8.991 6.681 -8.021 760 H CYS 98 HN CYS 98 6.135 8.542 -8.907 761 HA CYS 98 HA CYS 98 5.826 6.669 -11.104 762 HB2 CYS 98 HB2 CYS 98 3.400 6.664 -10.820 763 HB3 CYS 98 HB1 CYS 98 4.188 6.125 -9.355 764 HG CYS 98 HG CYS 98 3.829 9.146 -8.668 765 HA PRO 99 HA PRO 99 5.415 10.496 -13.389 766 HB2 PRO 99 HB2 PRO 99 7.058 9.849 -15.368 767 HB3 PRO 99 HB1 PRO 99 7.715 10.203 -13.767 768 HG2 PRO 99 HG2 PRO 99 7.403 7.588 -15.138 769 HG3 PRO 99 HG1 PRO 99 8.625 8.092 -13.963 770 HD2 PRO 99 HD2 PRO 99 6.230 6.599 -13.469 771 HD3 PRO 99 HD1 PRO 99 7.409 7.195 -12.279 772 H SER 100 HN SER 100 3.693 8.032 -13.384 773 HA SER 100 HA SER 100 3.298 7.269 -16.074 774 HB2 SER 100 HB2 SER 100 1.306 6.059 -14.990 775 HB3 SER 100 HB1 SER 100 2.936 5.570 -14.519 776 HG SER 100 HG SER 100 2.143 5.901 -12.598 777 H GLU 101 HN GLU 101 0.773 8.466 -13.867 778 HA GLU 101 HA GLU 101 0.070 10.598 -15.599 779 HB2 GLU 101 HB2 GLU 101 -0.704 8.767 -17.026 780 HB3 GLU 101 HB1 GLU 101 -1.775 8.210 -15.753 781 HG2 GLU 101 HG2 GLU 101 -3.069 9.464 -17.330 782 HG3 GLU 101 HG1 GLU 101 -2.936 10.394 -15.842 783 HA PRO 102 HA PRO 102 -3.559 10.413 -12.713 784 HB2 PRO 102 HB2 PRO 102 -3.755 8.311 -10.881 785 HB3 PRO 102 HB1 PRO 102 -4.672 8.538 -12.368 786 HG2 PRO 102 HG2 PRO 102 -2.781 6.520 -11.876 787 HG3 PRO 102 HG1 PRO 102 -3.465 6.950 -13.451 788 HD2 PRO 102 HD2 PRO 102 -0.850 7.686 -12.252 789 HD3 PRO 102 HD1 PRO 102 -1.269 7.441 -13.957 790 H TYR 103 HN TYR 103 -3.446 11.946 -11.386 791 HA TYR 103 HA TYR 103 -1.948 11.702 -8.888 792 HB2 TYR 103 HB2 TYR 103 -3.450 14.056 -10.083 793 HB3 TYR 103 HB1 TYR 103 -2.549 14.105 -8.575 794 HD1 TYR 103 HD2 TYR 103 -0.064 13.820 -8.641 795 HD2 TYR 103 HD1 TYR 103 -2.374 14.343 -12.159 796 HE1 TYR 103 HE2 TYR 103 1.969 14.435 -9.881 797 HE2 TYR 103 HE1 TYR 103 -0.369 14.930 -13.408 798 HH TYR 103 HH TYR 103 2.698 14.297 -12.254 799 H PHE 104 HN PHE 104 -3.042 11.101 -7.133 800 HA PHE 104 HA PHE 104 -5.849 10.495 -7.558 801 HB2 PHE 104 HB2 PHE 104 -3.953 9.517 -5.420 802 HB3 PHE 104 HB1 PHE 104 -5.567 8.903 -5.756 803 HD1 PHE 104 HD1 PHE 104 -5.982 7.523 -7.753 804 HD2 PHE 104 HD2 PHE 104 -2.070 8.921 -6.814 805 HE1 PHE 104 HE1 PHE 104 -5.023 5.890 -9.319 806 HE2 PHE 104 HE2 PHE 104 -1.109 7.287 -8.381 807 HZ PHE 104 HZ PHE 104 -2.580 5.773 -9.633 808 H GLY 105 HN GLY 105 -7.260 10.640 -5.627 809 HA2 GLY 105 HA2 GLY 105 -6.951 13.256 -4.412 810 HA3 GLY 105 HA1 GLY 105 -8.390 12.242 -4.368 811 H SER 106 HN SER 106 -7.120 9.881 -3.426 812 HA SER 106 HA SER 106 -5.936 10.667 -0.904 813 HB2 SER 106 HB2 SER 106 -8.368 8.870 -1.136 814 HB3 SER 106 HB1 SER 106 -7.477 9.200 0.350 815 HG SER 106 HG SER 106 -8.011 11.517 -0.703 816 H LEU 107 HN LEU 107 -5.232 8.593 0.301 817 HA LEU 107 HA LEU 107 -3.312 7.352 -1.308 818 HB2 LEU 107 HB2 LEU 107 -4.303 6.627 1.432 819 HB3 LEU 107 HB1 LEU 107 -2.861 5.958 0.691 820 HG LEU 107 HG LEU 107 -3.284 8.866 1.412 821 HD11 LEU 107 HD11 LEU 107 -1.617 8.445 3.147 822 HD12 LEU 107 HD12 LEU 107 -1.620 6.731 2.722 823 HD13 LEU 107 HD13 LEU 107 -3.074 7.482 3.381 824 HD21 LEU 107 HD21 LEU 107 -0.844 7.422 0.371 825 HD22 LEU 107 HD22 LEU 107 -0.889 9.094 0.927 826 HD23 LEU 107 HD23 LEU 107 -1.798 8.623 -0.505 827 H SER 108 HN SER 108 -6.426 6.203 -0.117 828 HA SER 108 HA SER 108 -6.229 3.519 -0.641 829 HB2 SER 108 HB2 SER 108 -8.072 4.503 0.598 830 HB3 SER 108 HB1 SER 108 -8.647 5.337 -0.839 831 HG SER 108 HG SER 108 -9.868 3.646 -0.804 832 H ALA 109 HN ALA 109 -7.057 6.102 -2.913 833 HA ALA 109 HA ALA 109 -7.836 4.504 -5.070 834 HB1 ALA 109 HB1 ALA 109 -6.589 7.238 -5.077 835 HB2 ALA 109 HB2 ALA 109 -8.322 6.872 -5.011 836 HB3 ALA 109 HB3 ALA 109 -7.382 6.474 -6.447 837 H LEU 110 HN LEU 110 -4.634 5.775 -4.201 838 HA LEU 110 HA LEU 110 -3.433 4.677 -6.548 839 HB2 LEU 110 HB2 LEU 110 -1.250 5.327 -5.562 840 HB3 LEU 110 HB1 LEU 110 -2.391 6.638 -5.663 841 HG LEU 110 HG LEU 110 -2.820 6.155 -3.153 842 HD11 LEU 110 HD11 LEU 110 -0.908 5.270 -1.926 843 HD12 LEU 110 HD12 LEU 110 -0.130 4.828 -3.448 844 HD13 LEU 110 HD13 LEU 110 -1.643 4.056 -2.969 845 HD21 LEU 110 HD21 LEU 110 -0.981 7.627 -2.527 846 HD22 LEU 110 HD22 LEU 110 -1.792 8.177 -3.996 847 HD23 LEU 110 HD23 LEU 110 -0.230 7.361 -4.100 848 H VAL 111 HN VAL 111 -4.011 3.603 -3.377 849 HA VAL 111 HA VAL 111 -2.313 1.390 -3.265 850 HB VAL 111 HB VAL 111 -4.961 1.999 -1.936 851 HG11 VAL 111 HG11 VAL 111 -3.184 -0.391 -1.464 852 HG12 VAL 111 HG12 VAL 111 -4.820 -0.375 -2.137 853 HG13 VAL 111 HG13 VAL 111 -4.558 0.087 -0.452 854 HG21 VAL 111 HG21 VAL 111 -3.576 2.248 0.051 855 HG22 VAL 111 HG22 VAL 111 -3.072 3.333 -1.251 856 HG23 VAL 111 HG23 VAL 111 -2.138 1.876 -0.906 857 H SER 112 HN SER 112 -5.745 1.616 -4.135 858 HA SER 112 HA SER 112 -5.989 -1.046 -4.912 859 HB2 SER 112 HB2 SER 112 -7.558 1.389 -5.643 860 HB3 SER 112 HB1 SER 112 -8.116 -0.294 -5.873 861 HG SER 112 HG SER 112 -8.575 -0.377 -3.838 862 H GLN 113 HN GLN 113 -5.132 1.863 -6.714 863 HA GLN 113 HA GLN 113 -5.277 0.884 -9.326 864 HB2 GLN 113 HB2 GLN 113 -4.922 3.257 -8.855 865 HB3 GLN 113 HB1 GLN 113 -3.357 2.907 -8.147 866 HG2 GLN 113 HG2 GLN 113 -3.084 3.848 -10.362 867 HG3 GLN 113 HG1 GLN 113 -2.529 2.180 -10.338 868 HE21 GLN 113 HE21 GLN 113 -3.705 0.624 -11.452 869 HE22 GLN 113 HE22 GLN 113 -4.874 1.021 -12.640 870 H HIS 114 HN HIS 114 -2.568 0.828 -7.037 871 HA HIS 114 HA HIS 114 -1.007 -0.728 -8.904 872 HB2 HIS 114 HB2 HIS 114 -0.331 0.454 -6.222 873 HB3 HIS 114 HB1 HIS 114 0.758 -0.626 -7.086 874 HD1 HIS 114 HD1 HIS 114 -0.533 2.872 -7.106 875 HD2 HIS 114 HD2 HIS 114 1.918 0.426 -9.391 876 HE1 HIS 114 HE1 HIS 114 0.695 4.403 -8.720 877 H SER 115 HN SER 115 -3.300 -1.479 -6.699 878 HA SER 115 HA SER 115 -2.131 -3.923 -5.750 879 HB2 SER 115 HB2 SER 115 -3.982 -2.631 -4.545 880 HB3 SER 115 HB1 SER 115 -5.074 -3.155 -5.823 881 HG SER 115 HG SER 115 -3.535 -4.893 -4.231 882 H ILE 116 HN ILE 116 -4.050 -2.797 -8.395 883 HA ILE 116 HA ILE 116 -4.316 -5.488 -9.467 884 HB ILE 116 HB ILE 116 -5.396 -2.851 -10.523 885 HG12 ILE 116 HG12 ILE 116 -6.813 -5.098 -9.064 886 HG13 ILE 116 HG11 ILE 116 -6.383 -3.548 -8.358 887 HG21 ILE 116 HG21 ILE 116 -6.801 -4.255 -11.985 888 HG22 ILE 116 HG22 ILE 116 -5.977 -5.691 -11.383 889 HG23 ILE 116 HG23 ILE 116 -5.082 -4.488 -12.314 890 HD11 ILE 116 HD11 ILE 116 -8.731 -3.659 -8.959 891 HD12 ILE 116 HD12 ILE 116 -8.302 -3.963 -10.644 892 HD13 ILE 116 HD13 ILE 116 -7.896 -2.421 -9.891 893 H SER 117 HN SER 117 -3.181 -2.282 -10.611 894 HA SER 117 HA SER 117 -1.418 -3.721 -12.438 895 HB2 SER 117 HB2 SER 117 -2.503 -0.906 -12.649 896 HB3 SER 117 HB1 SER 117 -1.515 -1.736 -13.851 897 HG SER 117 HG SER 117 -3.153 -3.187 -14.183 898 HA PRO 118 HA PRO 118 1.632 -1.721 -9.744 899 HB2 PRO 118 HB2 PRO 118 3.700 -3.382 -10.415 900 HB3 PRO 118 HB1 PRO 118 2.541 -3.751 -9.138 901 HG2 PRO 118 HG2 PRO 118 2.746 -4.853 -11.876 902 HG3 PRO 118 HG1 PRO 118 2.120 -5.602 -10.405 903 HD2 PRO 118 HD2 PRO 118 0.579 -4.533 -12.472 904 HD3 PRO 118 HD1 PRO 118 0.000 -4.903 -10.840 905 H ILE 119 HN ILE 119 1.439 0.036 -11.172 906 HA ILE 119 HA ILE 119 2.683 0.089 -13.713 907 HB ILE 119 HB ILE 119 1.809 2.447 -12.009 908 HG12 ILE 119 HG12 ILE 119 0.304 0.987 -14.199 909 HG13 ILE 119 HG11 ILE 119 -0.015 0.815 -12.476 910 HG21 ILE 119 HG21 ILE 119 2.356 2.227 -14.974 911 HG22 ILE 119 HG22 ILE 119 3.340 3.099 -13.799 912 HG23 ILE 119 HG23 ILE 119 1.705 3.650 -14.160 913 HD11 ILE 119 HD11 ILE 119 -0.644 3.177 -12.366 914 HD12 ILE 119 HD12 ILE 119 -1.628 2.297 -13.537 915 HD13 ILE 119 HD13 ILE 119 -0.321 3.341 -14.091 916 H SER 120 HN SER 120 3.477 2.208 -10.962 917 HA SER 120 HA SER 120 6.213 2.233 -11.942 918 HB2 SER 120 HB2 SER 120 4.833 4.033 -9.963 919 HB3 SER 120 HB1 SER 120 6.434 4.282 -10.667 920 HG SER 120 HG SER 120 5.368 4.277 -12.744 921 H LEU 121 HN LEU 121 4.518 0.508 -9.828 922 HA LEU 121 HA LEU 121 6.732 0.277 -7.929 923 HB2 LEU 121 HB2 LEU 121 3.870 -0.703 -7.738 924 HB3 LEU 121 HB1 LEU 121 5.109 -1.040 -6.549 925 HG LEU 121 HG LEU 121 4.037 1.708 -7.219 926 HD11 LEU 121 HD11 LEU 121 2.411 0.350 -6.030 927 HD12 LEU 121 HD12 LEU 121 3.054 1.623 -4.992 928 HD13 LEU 121 HD13 LEU 121 3.619 -0.038 -4.805 929 HD21 LEU 121 HD21 LEU 121 5.315 2.433 -5.260 930 HD22 LEU 121 HD22 LEU 121 6.360 1.812 -6.534 931 HD23 LEU 121 HD23 LEU 121 6.007 0.817 -5.119 932 HA PRO 122 HA PRO 122 7.877 -3.387 -10.158 933 HB2 PRO 122 HB2 PRO 122 9.397 -4.613 -8.259 934 HB3 PRO 122 HB1 PRO 122 9.929 -3.201 -9.178 935 HG2 PRO 122 HG2 PRO 122 8.774 -3.323 -6.418 936 HG3 PRO 122 HG1 PRO 122 10.168 -2.393 -7.005 937 HD2 PRO 122 HD2 PRO 122 7.742 -1.281 -6.632 938 HD3 PRO 122 HD1 PRO 122 8.826 -0.758 -7.937 939 H CYS 123 HN CYS 123 5.919 -3.504 -7.400 940 HA CYS 123 HA CYS 123 5.081 -6.198 -8.080 941 HB2 CYS 123 HB2 CYS 123 6.669 -6.459 -6.201 942 HB3 CYS 123 HB1 CYS 123 5.732 -5.298 -5.267 943 HG CYS 123 HG CYS 123 3.546 -6.909 -4.904 944 H CYS 124 HN CYS 124 2.924 -6.592 -7.519 945 HA CYS 124 HA CYS 124 1.285 -4.258 -7.393 946 HB2 CYS 124 HB2 CYS 124 -0.557 -5.957 -7.340 947 HB3 CYS 124 HB1 CYS 124 0.514 -6.116 -8.723 948 HG CYS 124 HG CYS 124 1.202 -7.976 -5.982 949 H LEU 125 HN LEU 125 0.098 -3.602 -5.704 950 HA LEU 125 HA LEU 125 1.067 -4.220 -3.093 951 HB2 LEU 125 HB2 LEU 125 -1.327 -2.597 -3.950 952 HB3 LEU 125 HB1 LEU 125 -0.692 -2.671 -2.324 953 HG LEU 125 HG LEU 125 0.713 -1.505 -4.724 954 HD11 LEU 125 HD11 LEU 125 -1.122 -0.153 -3.954 955 HD12 LEU 125 HD12 LEU 125 0.409 0.620 -3.530 956 HD13 LEU 125 HD13 LEU 125 -0.529 -0.232 -2.298 957 HD21 LEU 125 HD21 LEU 125 2.322 -2.493 -3.195 958 HD22 LEU 125 HD22 LEU 125 1.560 -1.669 -1.835 959 HD23 LEU 125 HD23 LEU 125 2.384 -0.732 -3.081 960 H ARG 126 HN ARG 126 0.469 -5.878 -1.951 961 HA ARG 126 HA ARG 126 -2.111 -7.101 -2.490 962 HB2 ARG 126 HB2 ARG 126 -0.261 -8.649 -2.638 963 HB3 ARG 126 HB1 ARG 126 0.350 -8.144 -1.072 964 HG2 ARG 126 HG2 ARG 126 -0.749 -10.311 -0.925 965 HG3 ARG 126 HG1 ARG 126 -1.614 -9.095 0.010 966 HD2 ARG 126 HD2 ARG 126 -3.172 -8.813 -1.890 967 HD3 ARG 126 HD1 ARG 126 -2.351 -10.143 -2.714 968 HE ARG 126 HE ARG 126 -2.971 -11.341 -0.489 969 HH11 ARG 126 HH11 ARG 126 -4.982 -9.144 -2.395 970 HH12 ARG 126 HH12 ARG 126 -6.454 -9.799 -1.854 971 HH21 ARG 126 HH21 ARG 126 -4.931 -12.243 0.230 972 HH22 ARG 126 HH22 ARG 126 -6.433 -11.636 -0.309 973 H ILE 127 HN ILE 127 -3.709 -6.656 -1.204 974 HA ILE 127 HA ILE 127 -3.149 -5.643 1.478 975 HB ILE 127 HB ILE 127 -5.779 -5.588 -0.009 976 HG12 ILE 127 HG12 ILE 127 -3.862 -3.276 0.278 977 HG13 ILE 127 HG11 ILE 127 -3.836 -4.324 -1.136 978 HG21 ILE 127 HG21 ILE 127 -6.343 -3.905 1.711 979 HG22 ILE 127 HG22 ILE 127 -4.703 -4.040 2.355 980 HG23 ILE 127 HG23 ILE 127 -5.784 -5.414 2.460 981 HD11 ILE 127 HD11 ILE 127 -6.148 -2.656 -0.192 982 HD12 ILE 127 HD12 ILE 127 -6.146 -3.732 -1.596 983 HD13 ILE 127 HD13 ILE 127 -5.086 -2.325 -1.566 984 HA PRO 128 HA PRO 128 -4.627 -9.798 2.432 985 HB2 PRO 128 HB2 PRO 128 -3.497 -10.041 4.789 986 HB3 PRO 128 HB1 PRO 128 -2.566 -9.873 3.269 987 HG2 PRO 128 HG2 PRO 128 -3.162 -7.736 5.283 988 HG3 PRO 128 HG1 PRO 128 -1.585 -8.224 4.636 989 HD2 PRO 128 HD2 PRO 128 -3.073 -6.179 3.606 990 HD3 PRO 128 HD1 PRO 128 -1.931 -7.145 2.646 991 H SER 129 HN SER 129 -5.472 -6.909 3.666 992 HA SER 129 HA SER 129 -7.112 -6.006 4.971 993 HB2 SER 129 HB2 SER 129 -8.459 -8.705 4.745 994 HB3 SER 129 HB1 SER 129 -9.124 -7.081 5.024 995 HG SER 129 HG SER 129 -8.599 -6.480 2.952 996 H LYS 130 HN LYS 130 -4.903 -7.400 6.110 997 HA LYS 130 HA LYS 130 -5.907 -8.314 8.692 998 HB2 LYS 130 HB2 LYS 130 -3.198 -8.610 7.396 999 HB3 LYS 130 HB1 LYS 130 -3.576 -9.102 9.027 1000 HG2 LYS 130 HG2 LYS 130 -4.817 -10.246 6.545 1001 HG3 LYS 130 HG1 LYS 130 -3.457 -10.959 7.422 1002 HD2 LYS 130 HD2 LYS 130 -5.111 -12.152 8.420 1003 HD3 LYS 130 HD1 LYS 130 -5.240 -10.712 9.417 1004 HE2 LYS 130 HE2 LYS 130 -7.444 -11.390 8.683 1005 HE3 LYS 130 HE1 LYS 130 -7.015 -9.860 7.919 1006 HZ1 LYS 130 HZ1 LYS 130 -6.701 -12.499 6.616 1007 HZ2 LYS 130 HZ2 LYS 130 -6.563 -11.009 5.844 1008 HZ3 LYS 130 HZ3 LYS 130 -8.051 -11.544 6.423 1009 H ASP 131 HN ASP 131 -5.057 -7.409 10.410 1010 HA ASP 131 HA ASP 131 -4.005 -4.710 10.055 1011 HB2 ASP 131 HB2 ASP 131 -6.029 -5.027 11.482 1012 HB3 ASP 131 HB1 ASP 131 -5.071 -6.038 12.559 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 2.951 -14.706 20.515 2 H2 MET 1 HT2 MET 1 3.486 -16.179 21.180 3 H3 MET 1 HT3 MET 1 4.040 -15.660 19.671 4 HA MET 1 HA MET 1 4.542 -14.212 22.149 5 HB2 MET 1 HB2 MET 1 5.725 -16.354 22.168 6 HB3 MET 1 HB1 MET 1 6.353 -16.045 20.557 7 HG2 MET 1 HG2 MET 1 7.620 -14.135 21.426 8 HG3 MET 1 HG1 MET 1 6.996 -14.466 23.037 9 HE1 MET 1 HE1 MET 1 7.067 -17.642 23.210 10 HE2 MET 1 HE2 MET 1 7.654 -16.586 24.494 11 HE3 MET 1 HE3 MET 1 8.667 -17.903 23.902 12 H HIS 2 HN HIS 2 4.572 -12.139 21.524 13 HA HIS 2 HA HIS 2 5.855 -11.508 18.956 14 HB2 HIS 2 HB2 HIS 2 3.541 -10.119 20.331 15 HB3 HIS 2 HB1 HIS 2 4.406 -9.424 18.969 16 HD1 HIS 2 HD1 HIS 2 1.530 -11.549 19.732 17 HD2 HIS 2 HD2 HIS 2 4.224 -11.144 16.587 18 HE1 HIS 2 HE1 HIS 2 0.464 -12.637 17.733 19 H HIS 3 HN HIS 3 7.393 -9.883 18.938 20 HA HIS 3 HA HIS 3 8.340 -9.146 21.567 21 HB2 HIS 3 HB2 HIS 3 10.359 -8.226 20.526 22 HB3 HIS 3 HB1 HIS 3 10.050 -9.832 19.904 23 HD1 HIS 3 HD1 HIS 3 10.433 -6.257 18.851 24 HD2 HIS 3 HD2 HIS 3 9.420 -9.917 17.152 25 HE1 HIS 3 HE1 HIS 3 10.597 -5.945 16.379 26 H HIS 4 HN HIS 4 6.501 -7.774 19.091 27 HA HIS 4 HA HIS 4 6.756 -5.073 20.010 28 HB2 HIS 4 HB2 HIS 4 4.834 -6.445 18.127 29 HB3 HIS 4 HB1 HIS 4 4.586 -4.782 18.637 30 HD1 HIS 4 HD1 HIS 4 6.835 -6.893 16.443 31 HD2 HIS 4 HD2 HIS 4 6.286 -2.925 17.543 32 HE1 HIS 4 HE1 HIS 4 8.233 -5.522 14.864 33 H HIS 5 HN HIS 5 5.686 -4.154 21.614 34 HA HIS 5 HA HIS 5 4.005 -5.815 23.254 35 HB2 HIS 5 HB2 HIS 5 4.984 -2.983 23.602 36 HB3 HIS 5 HB1 HIS 5 3.934 -3.788 24.761 37 HD1 HIS 5 HD1 HIS 5 7.394 -3.088 24.294 38 HD2 HIS 5 HD2 HIS 5 5.222 -6.397 25.543 39 HE1 HIS 5 HE1 HIS 5 8.985 -4.503 25.623 40 H HIS 6 HN HIS 6 3.577 -3.631 20.763 41 HA HIS 6 HA HIS 6 1.841 -2.726 19.722 42 HB2 HIS 6 HB2 HIS 6 0.120 -4.640 21.348 43 HB3 HIS 6 HB1 HIS 6 -0.398 -3.755 19.919 44 HD1 HIS 6 HD1 HIS 6 1.129 -6.936 20.955 45 HD2 HIS 6 HD2 HIS 6 0.957 -4.637 17.494 46 HE1 HIS 6 HE1 HIS 6 1.824 -8.450 19.083 47 H HIS 7 HN HIS 7 2.422 -0.881 20.769 48 HA HIS 7 HA HIS 7 1.004 -0.037 23.160 49 HB2 HIS 7 HB2 HIS 7 2.784 1.629 21.356 50 HB3 HIS 7 HB1 HIS 7 2.251 2.023 22.980 51 HD1 HIS 7 HD1 HIS 7 5.260 1.390 21.586 52 HD2 HIS 7 HD2 HIS 7 3.210 -0.611 24.588 53 HE1 HIS 7 HE1 HIS 7 6.996 0.169 22.916 54 H SER 8 HN SER 8 -0.056 2.188 23.068 55 HA SER 8 HA SER 8 -2.074 2.118 21.056 56 HB2 SER 8 HB2 SER 8 -1.559 4.137 23.242 57 HB3 SER 8 HB1 SER 8 -3.022 4.056 22.257 58 HG SER 8 HG SER 8 -2.057 1.856 23.722 59 H SER 9 HN SER 9 0.905 2.967 20.461 60 HA SER 9 HA SER 9 0.739 5.497 19.240 61 HB2 SER 9 HB2 SER 9 2.436 3.151 18.389 62 HB3 SER 9 HB1 SER 9 2.818 4.872 18.259 63 HG SER 9 HG SER 9 3.147 4.990 20.406 64 H GLY 10 HN GLY 10 -0.037 2.190 18.316 65 HA2 GLY 10 HA2 GLY 10 -0.882 3.003 15.644 66 HA3 GLY 10 HA1 GLY 10 -0.707 1.352 16.230 67 H LEU 11 HN LEU 11 -2.330 4.058 17.712 68 HA LEU 11 HA LEU 11 -4.727 2.466 18.012 69 HB2 LEU 11 HB2 LEU 11 -3.846 3.807 19.906 70 HB3 LEU 11 HB1 LEU 11 -4.068 5.260 18.961 71 HG LEU 11 HG LEU 11 -6.525 4.806 18.952 72 HD11 LEU 11 HD11 LEU 11 -7.415 3.229 20.599 73 HD12 LEU 11 HD12 LEU 11 -5.776 2.669 20.937 74 HD13 LEU 11 HD13 LEU 11 -6.484 2.418 19.342 75 HD21 LEU 11 HD21 LEU 11 -6.876 5.523 21.268 76 HD22 LEU 11 HD22 LEU 11 -5.535 6.386 20.517 77 HD23 LEU 11 HD23 LEU 11 -5.215 5.077 21.654 78 H VAL 12 HN VAL 12 -5.855 2.435 16.186 79 HA VAL 12 HA VAL 12 -5.896 4.724 14.466 80 HB VAL 12 HB VAL 12 -7.420 3.415 13.001 81 HG11 VAL 12 HG11 VAL 12 -5.030 3.178 12.727 82 HG12 VAL 12 HG12 VAL 12 -5.837 1.646 12.401 83 HG13 VAL 12 HG13 VAL 12 -4.994 1.890 13.932 84 HG21 VAL 12 HG21 VAL 12 -7.970 1.092 13.521 85 HG22 VAL 12 HG22 VAL 12 -8.630 2.165 14.757 86 HG23 VAL 12 HG23 VAL 12 -7.165 1.233 15.078 87 HA PRO 13 HA PRO 13 -9.220 7.123 15.989 88 HB2 PRO 13 HB2 PRO 13 -10.773 7.152 13.601 89 HB3 PRO 13 HB1 PRO 13 -9.652 8.391 14.162 90 HG2 PRO 13 HG2 PRO 13 -9.230 6.213 12.192 91 HG3 PRO 13 HG1 PRO 13 -8.462 7.805 12.289 92 HD2 PRO 13 HD2 PRO 13 -7.142 5.579 12.944 93 HD3 PRO 13 HD1 PRO 13 -6.898 7.086 13.853 94 H ARG 14 HN ARG 14 -10.624 4.850 13.669 95 HA ARG 14 HA ARG 14 -12.168 3.716 15.872 96 HB2 ARG 14 HB2 ARG 14 -13.649 5.281 14.731 97 HB3 ARG 14 HB1 ARG 14 -13.287 4.545 13.184 98 HG2 ARG 14 HG2 ARG 14 -14.450 2.556 13.782 99 HG3 ARG 14 HG1 ARG 14 -14.658 3.119 15.441 100 HD2 ARG 14 HD2 ARG 14 -16.690 3.425 14.106 101 HD3 ARG 14 HD1 ARG 14 -16.031 4.945 14.695 102 HE ARG 14 HE ARG 14 -15.052 4.403 12.103 103 HH11 ARG 14 HH11 ARG 14 -18.007 5.396 13.741 104 HH12 ARG 14 HH12 ARG 14 -18.615 6.317 12.446 105 HH21 ARG 14 HH21 ARG 14 -15.842 5.707 10.297 106 HH22 ARG 14 HH22 ARG 14 -17.331 6.514 10.429 107 H GLY 15 HN GLY 15 -11.267 3.364 12.468 108 HA2 GLY 15 HA2 GLY 15 -9.858 1.556 11.815 109 HA3 GLY 15 HA1 GLY 15 -10.581 0.571 13.089 110 H SER 16 HN SER 16 -12.761 2.437 11.386 111 HA SER 16 HA SER 16 -13.841 0.068 10.088 112 HB2 SER 16 HB2 SER 16 -15.009 2.861 10.258 113 HB3 SER 16 HB1 SER 16 -15.864 1.396 9.768 114 HG SER 16 HG SER 16 -14.889 0.740 12.017 115 H ASP 17 HN ASP 17 -11.493 1.757 9.220 116 HA ASP 17 HA ASP 17 -12.231 2.249 6.411 117 HB2 ASP 17 HB2 ASP 17 -9.891 3.366 8.014 118 HB3 ASP 17 HB1 ASP 17 -10.182 3.664 6.313 119 H THR 18 HN THR 18 -10.918 1.059 4.955 120 HA THR 18 HA THR 18 -9.633 -1.159 6.243 121 HB THR 18 HB THR 18 -9.476 -1.977 3.820 122 HG1 THR 18 HG1 THR 18 -10.195 -0.637 2.305 123 HG21 THR 18 HG21 THR 18 -11.196 -2.718 5.354 124 HG22 THR 18 HG22 THR 18 -11.969 -2.392 3.791 125 HG23 THR 18 HG23 THR 18 -12.078 -1.222 5.122 126 H SER 19 HN SER 19 -8.590 1.627 6.006 127 HA SER 19 HA SER 19 -6.083 1.492 4.664 128 HB2 SER 19 HB2 SER 19 -7.408 3.558 4.900 129 HB3 SER 19 HB1 SER 19 -7.264 3.458 6.647 130 HG SER 19 HG SER 19 -5.734 4.789 6.129 131 H LYS 20 HN LYS 20 -7.301 0.537 7.790 132 HA LYS 20 HA LYS 20 -4.918 1.049 9.281 133 HB2 LYS 20 HB2 LYS 20 -5.870 -0.001 11.188 134 HB3 LYS 20 HB1 LYS 20 -7.179 0.839 10.385 135 HG2 LYS 20 HG2 LYS 20 -6.666 -2.143 10.260 136 HG3 LYS 20 HG1 LYS 20 -7.818 -1.358 11.331 137 HD2 LYS 20 HD2 LYS 20 -9.019 -0.520 9.354 138 HD3 LYS 20 HD1 LYS 20 -7.879 -1.384 8.324 139 HE2 LYS 20 HE2 LYS 20 -9.923 -2.658 8.558 140 HE3 LYS 20 HE1 LYS 20 -8.580 -3.491 9.329 141 HZ1 LYS 20 HZ1 LYS 20 -10.634 -1.880 10.785 142 HZ2 LYS 20 HZ2 LYS 20 -9.406 -2.815 11.477 143 HZ3 LYS 20 HZ3 LYS 20 -10.636 -3.544 10.614 144 H PHE 21 HN PHE 21 -5.330 -1.217 6.982 145 HA PHE 21 HA PHE 21 -3.802 -3.308 8.284 146 HB2 PHE 21 HB2 PHE 21 -4.686 -3.066 5.406 147 HB3 PHE 21 HB1 PHE 21 -3.890 -4.465 6.104 148 HD1 PHE 21 HD2 PHE 21 -5.080 -5.451 8.222 149 HD2 PHE 21 HD1 PHE 21 -6.958 -3.039 5.270 150 HE1 PHE 21 HE2 PHE 21 -7.267 -6.363 8.870 151 HE2 PHE 21 HE1 PHE 21 -9.141 -3.943 5.911 152 HZ PHE 21 HZ PHE 21 -9.298 -5.609 7.708 153 H TRP 22 HN TRP 22 -3.153 -0.433 6.724 154 HA TRP 22 HA TRP 22 -0.397 -1.232 6.291 155 HB2 TRP 22 HB2 TRP 22 -0.419 -0.030 4.042 156 HB3 TRP 22 HB1 TRP 22 -1.177 -1.613 4.118 157 HD1 TRP 22 HD1 TRP 22 -3.782 -1.733 3.635 158 HE1 TRP 22 HE1 TRP 22 -5.467 -0.049 2.668 159 HE3 TRP 22 HE3 TRP 22 -0.999 2.575 4.015 160 HZ2 TRP 22 HZ2 TRP 22 -5.592 2.727 2.108 161 HZ3 TRP 22 HZ3 TRP 22 -1.988 4.656 3.248 162 HH2 TRP 22 HH2 TRP 22 -4.215 4.747 2.329 163 H TYR 23 HN TYR 23 -2.698 1.334 6.869 164 HA TYR 23 HA TYR 23 -0.592 3.286 6.677 165 HB2 TYR 23 HB2 TYR 23 -2.792 3.714 5.661 166 HB3 TYR 23 HB1 TYR 23 -3.517 3.660 7.261 167 HD1 TYR 23 HD1 TYR 23 -0.762 5.391 5.461 168 HD2 TYR 23 HD2 TYR 23 -3.885 5.674 8.317 169 HE1 TYR 23 HE1 TYR 23 -0.300 7.767 5.690 170 HE2 TYR 23 HE2 TYR 23 -3.453 8.074 8.568 171 HH TYR 23 HH TYR 23 -1.777 9.632 8.223 172 H LYS 24 HN LYS 24 0.625 3.577 8.302 173 HA LYS 24 HA LYS 24 -0.525 4.524 10.669 174 HB2 LYS 24 HB2 LYS 24 0.929 3.176 12.270 175 HB3 LYS 24 HB1 LYS 24 -0.440 2.331 11.588 176 HG2 LYS 24 HG2 LYS 24 2.389 2.025 10.592 177 HG3 LYS 24 HG1 LYS 24 1.705 1.064 11.898 178 HD2 LYS 24 HD2 LYS 24 -0.153 0.479 10.203 179 HD3 LYS 24 HD1 LYS 24 0.968 1.084 8.986 180 HE2 LYS 24 HE2 LYS 24 1.263 -1.335 9.213 181 HE3 LYS 24 HE1 LYS 24 2.678 -0.492 9.836 182 HZ1 LYS 24 HZ1 LYS 24 1.907 -2.306 11.277 183 HZ2 LYS 24 HZ2 LYS 24 0.459 -1.475 11.541 184 HZ3 LYS 24 HZ3 LYS 24 1.899 -0.814 12.061 185 HA PRO 25 HA PRO 25 2.815 7.058 9.328 186 HB2 PRO 25 HB2 PRO 25 1.829 9.376 10.218 187 HB3 PRO 25 HB1 PRO 25 1.138 8.546 8.824 188 HG2 PRO 25 HG2 PRO 25 0.171 8.592 11.656 189 HG3 PRO 25 HG1 PRO 25 -0.753 8.748 10.151 190 HD2 PRO 25 HD2 PRO 25 -0.545 6.427 11.576 191 HD3 PRO 25 HD1 PRO 25 -0.845 6.492 9.826 192 H HIS 26 HN HIS 26 2.218 6.003 12.375 193 HA HIS 26 HA HIS 26 3.905 7.889 13.819 194 HB2 HIS 26 HB2 HIS 26 3.470 6.553 15.787 195 HB3 HIS 26 HB1 HIS 26 1.949 6.711 14.922 196 HD1 HIS 26 HD1 HIS 26 0.851 4.470 14.113 197 HD2 HIS 26 HD2 HIS 26 4.606 3.966 15.816 198 HE1 HIS 26 HE1 HIS 26 1.183 1.998 14.367 199 H LEU 27 HN LEU 27 4.333 5.292 11.820 200 HA LEU 27 HA LEU 27 6.464 4.001 13.275 201 HB2 LEU 27 HB2 LEU 27 4.507 2.957 12.004 202 HB3 LEU 27 HB1 LEU 27 5.403 3.363 10.561 203 HG LEU 27 HG LEU 27 7.262 1.938 11.371 204 HD11 LEU 27 HD11 LEU 27 5.256 1.252 13.525 205 HD12 LEU 27 HD12 LEU 27 6.828 2.027 13.771 206 HD13 LEU 27 HD13 LEU 27 6.740 0.363 13.205 207 HD21 LEU 27 HD21 LEU 27 4.552 0.666 11.159 208 HD22 LEU 27 HD22 LEU 27 6.099 -0.158 10.940 209 HD23 LEU 27 HD23 LEU 27 5.604 1.107 9.812 210 H SER 28 HN SER 28 8.593 4.220 12.740 211 HA SER 28 HA SER 28 9.230 6.071 10.603 212 HB2 SER 28 HB2 SER 28 10.194 6.396 12.916 213 HB3 SER 28 HB1 SER 28 11.097 4.902 12.683 214 HG SER 28 HG SER 28 12.515 6.177 11.832 215 H ARG 29 HN ARG 29 11.523 5.435 9.741 216 HA ARG 29 HA ARG 29 10.889 3.757 7.610 217 HB2 ARG 29 HB2 ARG 29 12.517 5.531 7.434 218 HB3 ARG 29 HB1 ARG 29 13.595 4.691 8.536 219 HG2 ARG 29 HG2 ARG 29 13.766 2.845 6.899 220 HG3 ARG 29 HG1 ARG 29 12.761 3.774 5.789 221 HD2 ARG 29 HD2 ARG 29 15.457 4.603 6.869 222 HD3 ARG 29 HD1 ARG 29 15.116 3.987 5.258 223 HE ARG 29 HE ARG 29 13.775 6.435 6.121 224 HH11 ARG 29 HH11 ARG 29 16.276 4.899 4.129 225 HH12 ARG 29 HH12 ARG 29 16.479 6.263 3.120 226 HH21 ARG 29 HH21 ARG 29 14.088 8.307 4.694 227 HH22 ARG 29 HH22 ARG 29 15.247 8.199 3.453 228 H ASP 30 HN ASP 30 13.163 3.108 10.228 229 HA ASP 30 HA ASP 30 13.919 0.523 9.290 230 HB2 ASP 30 HB2 ASP 30 15.336 1.842 10.828 231 HB3 ASP 30 HB1 ASP 30 14.137 1.625 12.095 232 H GLN 31 HN GLN 31 11.613 1.619 11.595 233 HA GLN 31 HA GLN 31 10.870 -0.869 12.721 234 HB2 GLN 31 HB2 GLN 31 9.156 1.585 12.435 235 HB3 GLN 31 HB1 GLN 31 8.970 0.296 13.609 236 HG2 GLN 31 HG2 GLN 31 11.038 0.951 14.681 237 HG3 GLN 31 HG1 GLN 31 11.284 2.212 13.468 238 HE21 GLN 31 HE21 GLN 31 9.496 1.241 16.245 239 HE22 GLN 31 HE22 GLN 31 8.723 2.761 16.519 240 H ALA 32 HN ALA 32 9.729 0.991 9.977 241 HA ALA 32 HA ALA 32 7.452 -0.521 9.329 242 HB1 ALA 32 HB1 ALA 32 7.621 0.505 7.115 243 HB2 ALA 32 HB2 ALA 32 9.265 1.017 7.487 244 HB3 ALA 32 HB3 ALA 32 7.909 1.696 8.395 245 H ILE 33 HN ILE 33 10.806 -0.809 8.444 246 HA ILE 33 HA ILE 33 10.506 -2.920 6.582 247 HB ILE 33 HB ILE 33 12.914 -2.102 8.235 248 HG12 ILE 33 HG12 ILE 33 12.220 -1.362 5.393 249 HG13 ILE 33 HG11 ILE 33 11.865 -0.337 6.778 250 HG21 ILE 33 HG21 ILE 33 12.758 -3.748 5.697 251 HG22 ILE 33 HG22 ILE 33 13.147 -4.366 7.303 252 HG23 ILE 33 HG23 ILE 33 14.238 -3.230 6.506 253 HD11 ILE 33 HD11 ILE 33 13.871 0.380 5.660 254 HD12 ILE 33 HD12 ILE 33 14.596 -1.223 5.894 255 HD13 ILE 33 HD13 ILE 33 14.209 -0.205 7.289 256 H ALA 34 HN ALA 34 11.233 -2.728 10.010 257 HA ALA 34 HA ALA 34 11.617 -5.451 10.511 258 HB1 ALA 34 HB1 ALA 34 10.469 -3.431 12.433 259 HB2 ALA 34 HB2 ALA 34 12.191 -3.696 12.112 260 HB3 ALA 34 HB3 ALA 34 11.227 -4.975 12.844 261 H LEU 35 HN LEU 35 8.626 -3.663 10.243 262 HA LEU 35 HA LEU 35 6.960 -5.856 11.080 263 HB2 LEU 35 HB2 LEU 35 6.367 -3.330 9.639 264 HB3 LEU 35 HB1 LEU 35 5.157 -4.529 10.051 265 HG LEU 35 HG LEU 35 6.795 -2.869 11.955 266 HD11 LEU 35 HD11 LEU 35 4.874 -1.864 10.874 267 HD12 LEU 35 HD12 LEU 35 4.582 -2.159 12.618 268 HD13 LEU 35 HD13 LEU 35 3.951 -3.281 11.380 269 HD21 LEU 35 HD21 LEU 35 4.886 -5.125 12.504 270 HD22 LEU 35 HD22 LEU 35 5.513 -4.008 13.709 271 HD23 LEU 35 HD23 LEU 35 6.614 -5.116 12.891 272 H LEU 36 HN LEU 36 8.080 -4.515 8.072 273 HA LEU 36 HA LEU 36 6.310 -6.008 6.431 274 HB2 LEU 36 HB2 LEU 36 7.250 -3.741 5.977 275 HB3 LEU 36 HB1 LEU 36 8.784 -4.511 5.644 276 HG LEU 36 HG LEU 36 7.775 -5.702 3.756 277 HD11 LEU 36 HD11 LEU 36 5.330 -4.081 4.463 278 HD12 LEU 36 HD12 LEU 36 5.458 -5.841 4.533 279 HD13 LEU 36 HD13 LEU 36 5.527 -5.008 2.983 280 HD21 LEU 36 HD21 LEU 36 7.367 -2.724 3.766 281 HD22 LEU 36 HD22 LEU 36 7.491 -3.734 2.327 282 HD23 LEU 36 HD23 LEU 36 8.871 -3.569 3.416 283 H LYS 37 HN LYS 37 9.586 -6.469 7.566 284 HA LYS 37 HA LYS 37 10.434 -8.471 5.768 285 HB2 LYS 37 HB2 LYS 37 12.122 -9.063 7.465 286 HB3 LYS 37 HB1 LYS 37 12.017 -7.318 7.241 287 HG2 LYS 37 HG2 LYS 37 10.621 -7.198 9.282 288 HG3 LYS 37 HG1 LYS 37 10.861 -8.925 9.507 289 HD2 LYS 37 HD2 LYS 37 13.068 -6.845 9.467 290 HD3 LYS 37 HD1 LYS 37 12.357 -7.536 10.921 291 HE2 LYS 37 HE2 LYS 37 13.866 -9.040 8.791 292 HE3 LYS 37 HE1 LYS 37 14.504 -8.571 10.359 293 HZ1 LYS 37 HZ1 LYS 37 13.792 -10.882 10.352 294 HZ2 LYS 37 HZ2 LYS 37 12.241 -10.455 9.929 295 HZ3 LYS 37 HZ3 LYS 37 12.848 -10.002 11.428 296 H ASP 38 HN ASP 38 8.106 -8.575 8.153 297 HA ASP 38 HA ASP 38 8.187 -11.470 8.526 298 HB2 ASP 38 HB2 ASP 38 7.864 -10.175 10.525 299 HB3 ASP 38 HB1 ASP 38 6.557 -9.260 9.792 300 H LYS 39 HN LYS 39 6.811 -9.204 6.447 301 HA LYS 39 HA LYS 39 4.412 -10.808 6.085 302 HB2 LYS 39 HB2 LYS 39 4.974 -8.007 5.106 303 HB3 LYS 39 HB1 LYS 39 3.481 -8.887 4.827 304 HG2 LYS 39 HG2 LYS 39 3.221 -9.024 7.333 305 HG3 LYS 39 HG1 LYS 39 4.580 -7.912 7.456 306 HD2 LYS 39 HD2 LYS 39 2.637 -6.576 7.614 307 HD3 LYS 39 HD1 LYS 39 3.246 -6.336 5.979 308 HE2 LYS 39 HE2 LYS 39 0.823 -6.603 5.939 309 HE3 LYS 39 HE1 LYS 39 1.584 -7.976 5.140 310 HZ1 LYS 39 HZ1 LYS 39 -0.254 -8.597 6.670 311 HZ2 LYS 39 HZ2 LYS 39 0.635 -7.980 7.956 312 HZ3 LYS 39 HZ3 LYS 39 1.203 -9.313 7.113 313 H ASP 40 HN ASP 40 3.653 -10.592 3.668 314 HA ASP 40 HA ASP 40 5.687 -12.144 2.265 315 HB2 ASP 40 HB2 ASP 40 2.737 -11.795 1.668 316 HB3 ASP 40 HB1 ASP 40 3.820 -12.924 0.863 317 HA PRO 41 HA PRO 41 6.472 -9.138 -0.964 318 HB2 PRO 41 HB2 PRO 41 5.896 -11.290 -2.933 319 HB3 PRO 41 HB1 PRO 41 7.340 -10.282 -2.770 320 HG2 PRO 41 HG2 PRO 41 7.385 -12.827 -2.026 321 HG3 PRO 41 HG1 PRO 41 8.215 -11.590 -1.065 322 HD2 PRO 41 HD2 PRO 41 5.602 -12.948 -0.550 323 HD3 PRO 41 HD1 PRO 41 6.895 -12.506 0.588 324 H GLY 42 HN GLY 42 5.058 -7.678 -1.510 325 HA2 GLY 42 HA2 GLY 42 3.249 -7.078 -3.081 326 HA3 GLY 42 HA1 GLY 42 2.405 -8.519 -2.513 327 H ALA 43 HN ALA 43 3.683 -7.798 0.187 328 HA ALA 43 HA ALA 43 1.463 -6.255 1.139 329 HB1 ALA 43 HB1 ALA 43 2.452 -6.612 3.355 330 HB2 ALA 43 HB2 ALA 43 3.876 -7.327 2.604 331 HB3 ALA 43 HB3 ALA 43 2.314 -8.133 2.472 332 H PHE 44 HN PHE 44 1.711 -4.292 2.286 333 HA PHE 44 HA PHE 44 4.120 -2.753 1.867 334 HB2 PHE 44 HB2 PHE 44 2.977 -1.034 0.611 335 HB3 PHE 44 HB1 PHE 44 2.880 -2.554 -0.267 336 HD1 PHE 44 HD2 PHE 44 0.682 -3.900 -0.022 337 HD2 PHE 44 HD1 PHE 44 1.064 0.196 1.065 338 HE1 PHE 44 HE2 PHE 44 -1.753 -3.643 -0.132 339 HE2 PHE 44 HE1 PHE 44 -1.366 0.453 0.955 340 HZ PHE 44 HZ PHE 44 -2.774 -1.457 0.363 341 H LEU 45 HN LEU 45 3.927 -0.737 2.995 342 HA LEU 45 HA LEU 45 1.555 -0.236 4.507 343 HB2 LEU 45 HB2 LEU 45 2.569 -0.090 6.688 344 HB3 LEU 45 HB1 LEU 45 2.822 -1.697 6.064 345 HG LEU 45 HG LEU 45 4.953 0.456 6.103 346 HD11 LEU 45 HD11 LEU 45 5.859 -0.796 8.001 347 HD12 LEU 45 HD12 LEU 45 4.438 -1.842 7.991 348 HD13 LEU 45 HD13 LEU 45 4.272 -0.124 8.358 349 HD21 LEU 45 HD21 LEU 45 6.492 -1.388 5.735 350 HD22 LEU 45 HD22 LEU 45 5.288 -1.353 4.437 351 HD23 LEU 45 HD23 LEU 45 5.150 -2.526 5.750 352 H ILE 46 HN ILE 46 1.421 1.893 5.227 353 HA ILE 46 HA ILE 46 3.428 3.610 4.005 354 HB ILE 46 HB ILE 46 0.425 4.103 4.063 355 HG12 ILE 46 HG12 ILE 46 2.356 3.666 1.778 356 HG13 ILE 46 HG11 ILE 46 1.174 2.503 2.350 357 HG21 ILE 46 HG21 ILE 46 0.936 6.173 2.833 358 HG22 ILE 46 HG22 ILE 46 2.660 5.850 3.020 359 HG23 ILE 46 HG23 ILE 46 1.668 6.176 4.440 360 HD11 ILE 46 HD11 ILE 46 0.528 3.626 0.287 361 HD12 ILE 46 HD12 ILE 46 0.503 5.182 1.134 362 HD13 ILE 46 HD13 ILE 46 -0.631 3.913 1.585 363 H ARG 47 HN ARG 47 4.281 4.972 5.205 364 HA ARG 47 HA ARG 47 3.165 5.595 7.862 365 HB2 ARG 47 HB2 ARG 47 5.432 5.535 8.729 366 HB3 ARG 47 HB1 ARG 47 5.123 4.013 7.896 367 HG2 ARG 47 HG2 ARG 47 6.259 4.921 5.898 368 HG3 ARG 47 HG1 ARG 47 6.630 6.372 6.826 369 HD2 ARG 47 HD2 ARG 47 7.874 4.946 8.425 370 HD3 ARG 47 HD1 ARG 47 7.596 3.573 7.344 371 HE ARG 47 HE ARG 47 9.160 5.967 6.768 372 HH11 ARG 47 HH11 ARG 47 8.288 2.631 5.917 373 HH12 ARG 47 HH12 ARG 47 9.521 2.451 4.754 374 HH21 ARG 47 HH21 ARG 47 10.813 5.718 5.089 375 HH22 ARG 47 HH22 ARG 47 10.952 4.226 4.268 376 H ASP 48 HN ASP 48 4.770 7.616 8.578 377 HA ASP 48 HA ASP 48 4.492 9.609 6.461 378 HB2 ASP 48 HB2 ASP 48 3.676 10.208 8.707 379 HB3 ASP 48 HB1 ASP 48 5.258 9.851 9.388 380 H SER 49 HN SER 49 6.317 10.423 5.426 381 HA SER 49 HA SER 49 8.782 9.090 6.048 382 HB2 SER 49 HB2 SER 49 8.081 11.097 3.894 383 HB3 SER 49 HB1 SER 49 9.666 10.349 4.079 384 HG SER 49 HG SER 49 7.497 9.401 2.871 385 H HIS 50 HN HIS 50 9.574 9.820 7.880 386 HA HIS 50 HA HIS 50 9.567 12.559 8.652 387 HB2 HIS 50 HB2 HIS 50 11.125 10.232 9.731 388 HB3 HIS 50 HB1 HIS 50 11.090 11.849 10.422 389 HD1 HIS 50 HD1 HIS 50 7.634 11.419 9.549 390 HD2 HIS 50 HD2 HIS 50 10.083 9.669 12.452 391 HE1 HIS 50 HE1 HIS 50 6.117 10.476 11.260 392 H SER 51 HN SER 51 10.393 13.126 6.690 393 HA SER 51 HA SER 51 13.190 13.766 6.709 394 HB2 SER 51 HB2 SER 51 11.946 12.048 4.568 395 HB3 SER 51 HB1 SER 51 13.515 12.850 4.350 396 HG SER 51 HG SER 51 13.941 11.692 6.444 397 H PHE 52 HN PHE 52 10.005 13.832 5.167 398 HA PHE 52 HA PHE 52 10.446 16.614 4.386 399 HB2 PHE 52 HB2 PHE 52 9.015 14.494 2.744 400 HB3 PHE 52 HB1 PHE 52 9.125 16.197 2.335 401 HD1 PHE 52 HD1 PHE 52 11.242 17.137 1.541 402 HD2 PHE 52 HD2 PHE 52 10.819 12.990 2.367 403 HE1 PHE 52 HE1 PHE 52 13.300 16.679 0.283 404 HE2 PHE 52 HE2 PHE 52 12.870 12.520 1.118 405 HZ PHE 52 HZ PHE 52 14.119 14.364 0.071 406 H GLN 53 HN GLN 53 8.224 17.653 4.067 407 HA GLN 53 HA GLN 53 6.365 16.388 5.914 408 HB2 GLN 53 HB2 GLN 53 5.463 18.625 6.437 409 HB3 GLN 53 HB1 GLN 53 7.165 18.507 6.823 410 HG2 GLN 53 HG2 GLN 53 7.732 19.762 4.827 411 HG3 GLN 53 HG1 GLN 53 6.030 19.828 4.368 412 HE21 GLN 53 HE21 GLN 53 7.863 21.975 4.892 413 HE22 GLN 53 HE22 GLN 53 7.195 22.920 6.165 414 H GLY 54 HN GLY 54 4.426 15.884 5.232 415 HA2 GLY 54 HA2 GLY 54 2.521 15.929 3.880 416 HA3 GLY 54 HA1 GLY 54 3.331 17.077 2.812 417 H ALA 55 HN ALA 55 4.942 14.221 3.853 418 HA ALA 55 HA ALA 55 4.460 12.957 1.283 419 HB1 ALA 55 HB1 ALA 55 6.570 14.227 1.103 420 HB2 ALA 55 HB2 ALA 55 6.816 12.490 0.979 421 HB3 ALA 55 HB3 ALA 55 7.205 13.325 2.481 422 H TYR 56 HN TYR 56 3.912 10.997 1.538 423 HA TYR 56 HA TYR 56 4.320 9.682 4.110 424 HB2 TYR 56 HB2 TYR 56 2.575 8.921 1.760 425 HB3 TYR 56 HB1 TYR 56 2.612 8.120 3.326 426 HD1 TYR 56 HD2 TYR 56 1.862 9.435 5.361 427 HD2 TYR 56 HD1 TYR 56 1.178 10.763 1.377 428 HE1 TYR 56 HE2 TYR 56 0.091 10.942 6.166 429 HE2 TYR 56 HE1 TYR 56 -0.591 12.266 2.177 430 HH TYR 56 HH TYR 56 -1.057 12.988 5.461 431 H GLY 57 HN GLY 57 5.044 7.523 4.037 432 HA2 GLY 57 HA2 GLY 57 6.778 7.025 1.721 433 HA3 GLY 57 HA1 GLY 57 7.272 6.662 3.365 434 H LEU 58 HN LEU 58 6.321 5.327 0.629 435 HA LEU 58 HA LEU 58 4.650 3.261 1.804 436 HB2 LEU 58 HB2 LEU 58 3.822 4.220 -0.249 437 HB3 LEU 58 HB1 LEU 58 5.368 3.982 -1.033 438 HG LEU 58 HG LEU 58 5.007 1.509 -0.777 439 HD11 LEU 58 HD11 LEU 58 2.752 0.704 -0.469 440 HD12 LEU 58 HD12 LEU 58 2.247 2.328 -0.013 441 HD13 LEU 58 HD13 LEU 58 3.418 1.454 0.979 442 HD21 LEU 58 HD21 LEU 58 3.492 1.319 -2.632 443 HD22 LEU 58 HD22 LEU 58 4.652 2.631 -2.886 444 HD23 LEU 58 HD23 LEU 58 2.982 2.997 -2.423 445 H ALA 59 HN ALA 59 5.618 1.515 2.457 446 HA ALA 59 HA ALA 59 8.172 0.745 1.242 447 HB1 ALA 59 HB1 ALA 59 8.302 1.108 3.670 448 HB2 ALA 59 HB2 ALA 59 8.527 -0.597 3.282 449 HB3 ALA 59 HB3 ALA 59 6.981 -0.034 3.913 450 H LEU 60 HN LEU 60 7.878 -0.711 -0.238 451 HA LEU 60 HA LEU 60 5.611 -2.588 -0.035 452 HB2 LEU 60 HB2 LEU 60 5.502 -1.180 -2.001 453 HB3 LEU 60 HB1 LEU 60 7.149 -1.579 -2.429 454 HG LEU 60 HG LEU 60 6.438 -3.919 -2.864 455 HD11 LEU 60 HD11 LEU 60 4.517 -4.069 -1.422 456 HD12 LEU 60 HD12 LEU 60 4.038 -4.409 -3.089 457 HD13 LEU 60 HD13 LEU 60 3.678 -2.840 -2.366 458 HD21 LEU 60 HD21 LEU 60 6.594 -2.325 -4.685 459 HD22 LEU 60 HD22 LEU 60 4.937 -1.800 -4.386 460 HD23 LEU 60 HD23 LEU 60 5.253 -3.439 -4.955 461 H LYS 61 HN LYS 61 6.064 -4.697 0.196 462 HA LYS 61 HA LYS 61 8.859 -5.509 0.290 463 HB2 LYS 61 HB2 LYS 61 6.832 -6.149 1.911 464 HB3 LYS 61 HB1 LYS 61 6.551 -7.384 0.704 465 HG2 LYS 61 HG2 LYS 61 9.048 -7.037 2.373 466 HG3 LYS 61 HG1 LYS 61 7.808 -8.285 2.528 467 HD2 LYS 61 HD2 LYS 61 8.428 -9.204 0.364 468 HD3 LYS 61 HD1 LYS 61 9.555 -7.859 0.139 469 HE2 LYS 61 HE2 LYS 61 10.917 -8.632 1.969 470 HE3 LYS 61 HE1 LYS 61 9.787 -9.938 2.310 471 HZ1 LYS 61 HZ1 LYS 61 11.745 -10.627 1.022 472 HZ2 LYS 61 HZ2 LYS 61 11.203 -9.682 -0.299 473 HZ3 LYS 61 HZ3 LYS 61 10.309 -10.968 0.260 474 H VAL 62 HN VAL 62 9.758 -6.312 -1.537 475 HA VAL 62 HA VAL 62 7.962 -7.543 -3.497 476 HB VAL 62 HB VAL 62 9.669 -7.129 -5.214 477 HG11 VAL 62 HG11 VAL 62 9.445 -4.680 -5.344 478 HG12 VAL 62 HG12 VAL 62 8.820 -4.675 -3.691 479 HG13 VAL 62 HG13 VAL 62 7.929 -5.496 -4.971 480 HG21 VAL 62 HG21 VAL 62 11.580 -5.632 -4.765 481 HG22 VAL 62 HG22 VAL 62 11.684 -7.133 -3.844 482 HG23 VAL 62 HG23 VAL 62 11.168 -5.647 -3.048 483 H ALA 63 HN ALA 63 9.032 -9.306 -4.783 484 HA ALA 63 HA ALA 63 9.886 -11.298 -2.984 485 HB1 ALA 63 HB1 ALA 63 10.258 -12.660 -5.002 486 HB2 ALA 63 HB2 ALA 63 9.991 -11.228 -5.998 487 HB3 ALA 63 HB3 ALA 63 8.677 -11.875 -5.017 488 H THR 64 HN THR 64 11.582 -9.722 -5.671 489 HA THR 64 HA THR 64 13.981 -9.401 -4.210 490 HB THR 64 HB THR 64 15.128 -10.794 -6.223 491 HG1 THR 64 HG1 THR 64 12.838 -11.558 -6.681 492 HG21 THR 64 HG21 THR 64 14.256 -11.973 -3.597 493 HG22 THR 64 HG22 THR 64 15.731 -11.041 -3.884 494 HG23 THR 64 HG23 THR 64 15.528 -12.633 -4.622 495 HA PRO 65 HA PRO 65 14.440 -6.421 -7.572 496 HB2 PRO 65 HB2 PRO 65 17.339 -6.422 -6.949 497 HB3 PRO 65 HB1 PRO 65 16.201 -5.074 -6.881 498 HG2 PRO 65 HG2 PRO 65 17.240 -6.272 -4.683 499 HG3 PRO 65 HG1 PRO 65 15.659 -5.476 -4.694 500 HD2 PRO 65 HD2 PRO 65 16.309 -8.407 -4.721 501 HD3 PRO 65 HD1 PRO 65 14.917 -7.550 -4.023 502 HA PRO 66 HA PRO 66 17.430 -9.673 -9.986 503 HB2 PRO 66 HB2 PRO 66 17.796 -11.941 -8.330 504 HB3 PRO 66 HB1 PRO 66 18.974 -10.634 -8.573 505 HG2 PRO 66 HG2 PRO 66 17.007 -10.876 -6.382 506 HG3 PRO 66 HG1 PRO 66 18.761 -10.635 -6.319 507 HD2 PRO 66 HD2 PRO 66 17.342 -8.504 -6.124 508 HD3 PRO 66 HD1 PRO 66 18.630 -8.534 -7.329 509 HA PRO 67 HA PRO 67 13.638 -11.993 -10.833 510 HB2 PRO 67 HB2 PRO 67 14.871 -14.589 -11.343 511 HB3 PRO 67 HB1 PRO 67 14.237 -13.445 -12.526 512 HG2 PRO 67 HG2 PRO 67 16.903 -14.027 -12.255 513 HG3 PRO 67 HG1 PRO 67 16.287 -12.494 -12.890 514 HD2 PRO 67 HD2 PRO 67 17.278 -13.119 -10.098 515 HD3 PRO 67 HD1 PRO 67 17.557 -11.664 -11.113 516 H SER 68 HN SER 68 15.918 -14.086 -9.304 517 HA SER 68 HA SER 68 14.630 -14.176 -6.823 518 HB2 SER 68 HB2 SER 68 14.951 -16.728 -8.467 519 HB3 SER 68 HB1 SER 68 14.590 -16.690 -6.741 520 HG SER 68 HG SER 68 12.948 -15.238 -8.464 521 H ALA 69 HN ALA 69 16.316 -13.624 -5.819 522 HA ALA 69 HA ALA 69 18.965 -13.789 -6.613 523 HB1 ALA 69 HB1 ALA 69 18.019 -13.542 -3.766 524 HB2 ALA 69 HB2 ALA 69 18.163 -12.216 -4.918 525 HB3 ALA 69 HB3 ALA 69 19.605 -13.088 -4.394 526 H GLN 70 HN GLN 70 18.946 -15.956 -7.303 527 HA GLN 70 HA GLN 70 19.590 -17.930 -5.320 528 HB2 GLN 70 HB2 GLN 70 18.316 -18.595 -7.292 529 HB3 GLN 70 HB1 GLN 70 19.589 -18.019 -8.345 530 HG2 GLN 70 HG2 GLN 70 21.061 -19.769 -7.614 531 HG3 GLN 70 HG1 GLN 70 19.894 -20.291 -6.399 532 HE21 GLN 70 HE21 GLN 70 17.583 -19.968 -8.084 533 HE22 GLN 70 HE22 GLN 70 17.627 -21.217 -9.256 534 HA PRO 71 HA PRO 71 24.007 -16.763 -6.986 535 HB2 PRO 71 HB2 PRO 71 24.076 -14.265 -8.165 536 HB3 PRO 71 HB1 PRO 71 24.112 -15.773 -9.083 537 HG2 PRO 71 HG2 PRO 71 21.800 -13.976 -8.494 538 HG3 PRO 71 HG1 PRO 71 22.228 -14.792 -10.011 539 HD2 PRO 71 HD2 PRO 71 20.313 -15.746 -8.431 540 HD3 PRO 71 HD1 PRO 71 21.439 -16.836 -9.271 541 H TRP 72 HN TRP 72 24.478 -16.337 -4.904 542 HA TRP 72 HA TRP 72 23.068 -14.296 -3.461 543 HB2 TRP 72 HB2 TRP 72 23.515 -16.445 -2.427 544 HB3 TRP 72 HB1 TRP 72 25.253 -16.184 -2.592 545 HD1 TRP 72 HD1 TRP 72 26.394 -14.490 -0.890 546 HE1 TRP 72 HE1 TRP 72 25.618 -13.467 1.301 547 HE3 TRP 72 HE3 TRP 72 21.430 -15.646 -1.217 548 HZ2 TRP 72 HZ2 TRP 72 23.191 -13.211 2.752 549 HZ3 TRP 72 HZ3 TRP 72 19.943 -14.975 0.619 550 HH2 TRP 72 HH2 TRP 72 20.802 -13.785 2.559 551 H LYS 73 HN LYS 73 23.815 -12.385 -2.832 552 HA LYS 73 HA LYS 73 26.645 -11.773 -3.369 553 HB2 LYS 73 HB2 LYS 73 24.302 -9.896 -3.710 554 HB3 LYS 73 HB1 LYS 73 25.983 -9.510 -4.019 555 HG2 LYS 73 HG2 LYS 73 24.342 -11.523 -5.548 556 HG3 LYS 73 HG1 LYS 73 24.701 -9.883 -6.077 557 HD2 LYS 73 HD2 LYS 73 27.112 -10.452 -6.056 558 HD3 LYS 73 HD1 LYS 73 26.684 -12.099 -5.591 559 HE2 LYS 73 HE2 LYS 73 27.095 -11.975 -7.974 560 HE3 LYS 73 HE1 LYS 73 25.402 -12.345 -7.658 561 HZ1 LYS 73 HZ1 LYS 73 26.458 -9.649 -8.328 562 HZ2 LYS 73 HZ2 LYS 73 24.829 -10.051 -8.126 563 HZ3 LYS 73 HZ3 LYS 73 25.718 -10.698 -9.410 564 H GLY 74 HN GLY 74 23.846 -11.182 -1.412 565 HA2 GLY 74 HA2 GLY 74 25.098 -11.068 1.016 566 HA3 GLY 74 HA1 GLY 74 25.096 -9.399 0.421 567 H ASP 75 HN ASP 75 23.018 -9.143 -0.921 568 HA ASP 75 HA ASP 75 20.845 -8.616 -0.897 569 HB2 ASP 75 HB2 ASP 75 20.650 -11.594 -0.483 570 HB3 ASP 75 HB1 ASP 75 19.435 -10.546 -1.218 571 HA PRO 76 HA PRO 76 19.928 -8.494 3.591 572 HB2 PRO 76 HB2 PRO 76 19.522 -5.810 3.722 573 HB3 PRO 76 HB1 PRO 76 21.117 -6.544 3.899 574 HG2 PRO 76 HG2 PRO 76 19.918 -5.167 1.556 575 HG3 PRO 76 HG1 PRO 76 21.590 -5.157 2.129 576 HD2 PRO 76 HD2 PRO 76 20.673 -6.686 0.019 577 HD3 PRO 76 HD1 PRO 76 22.121 -7.061 0.970 578 H VAL 77 HN VAL 77 17.919 -7.790 4.618 579 HA VAL 77 HA VAL 77 15.705 -8.410 2.982 580 HB VAL 77 HB VAL 77 15.691 -9.100 5.327 581 HG11 VAL 77 HG11 VAL 77 15.372 -7.513 7.161 582 HG12 VAL 77 HG12 VAL 77 15.528 -6.172 6.027 583 HG13 VAL 77 HG13 VAL 77 16.903 -7.227 6.331 584 HG21 VAL 77 HG21 VAL 77 13.535 -8.765 4.233 585 HG22 VAL 77 HG22 VAL 77 13.547 -7.080 4.779 586 HG23 VAL 77 HG23 VAL 77 13.449 -8.385 5.959 587 H GLU 78 HN GLU 78 17.088 -5.424 4.074 588 HA GLU 78 HA GLU 78 14.856 -3.794 3.427 589 HB2 GLU 78 HB2 GLU 78 17.728 -2.876 3.438 590 HB3 GLU 78 HB1 GLU 78 16.287 -1.918 3.748 591 HG2 GLU 78 HG2 GLU 78 16.879 -2.224 5.924 592 HG3 GLU 78 HG1 GLU 78 16.051 -3.747 5.681 593 H GLN 79 HN GLN 79 17.205 -5.346 1.549 594 HA GLN 79 HA GLN 79 17.038 -3.630 -0.762 595 HB2 GLN 79 HB2 GLN 79 19.046 -4.965 -0.296 596 HB3 GLN 79 HB1 GLN 79 18.111 -6.446 -0.420 597 HG2 GLN 79 HG2 GLN 79 17.686 -5.913 -2.778 598 HG3 GLN 79 HG1 GLN 79 18.718 -4.489 -2.624 599 HE21 GLN 79 HE21 GLN 79 18.622 -7.951 -2.819 600 HE22 GLN 79 HE22 GLN 79 20.295 -8.206 -3.022 601 H LEU 80 HN LEU 80 15.293 -6.224 0.627 602 HA LEU 80 HA LEU 80 13.918 -6.960 -1.826 603 HB2 LEU 80 HB2 LEU 80 13.547 -7.918 1.009 604 HB3 LEU 80 HB1 LEU 80 12.768 -8.616 -0.392 605 HG LEU 80 HG LEU 80 15.715 -8.654 0.252 606 HD11 LEU 80 HD11 LEU 80 15.402 -11.061 0.405 607 HD12 LEU 80 HD12 LEU 80 13.677 -10.850 0.100 608 HD13 LEU 80 HD13 LEU 80 14.395 -10.203 1.576 609 HD21 LEU 80 HD21 LEU 80 14.250 -9.730 -2.152 610 HD22 LEU 80 HD22 LEU 80 15.921 -10.095 -1.741 611 HD23 LEU 80 HD23 LEU 80 15.460 -8.447 -2.148 612 H VAL 81 HN VAL 81 13.765 -4.465 0.083 613 HA VAL 81 HA VAL 81 10.867 -4.225 -0.100 614 HB VAL 81 HB VAL 81 12.762 -2.972 1.934 615 HG11 VAL 81 HG11 VAL 81 11.028 -1.364 1.326 616 HG12 VAL 81 HG12 VAL 81 10.754 -1.973 2.959 617 HG13 VAL 81 HG13 VAL 81 9.784 -2.578 1.616 618 HG21 VAL 81 HG21 VAL 81 11.401 -4.248 3.586 619 HG22 VAL 81 HG22 VAL 81 12.251 -5.284 2.441 620 HG23 VAL 81 HG23 VAL 81 10.532 -4.992 2.238 621 H ARG 82 HN ARG 82 10.121 -2.411 -1.053 622 HA ARG 82 HA ARG 82 12.110 -0.707 -2.392 623 HB2 ARG 82 HB2 ARG 82 9.226 -1.201 -3.108 624 HB3 ARG 82 HB1 ARG 82 10.355 -0.205 -3.997 625 HG2 ARG 82 HG2 ARG 82 10.677 -3.172 -3.616 626 HG3 ARG 82 HG1 ARG 82 9.890 -2.436 -5.003 627 HD2 ARG 82 HD2 ARG 82 12.115 -2.952 -5.645 628 HD3 ARG 82 HD1 ARG 82 12.023 -1.211 -5.448 629 HE ARG 82 HE ARG 82 12.948 -2.296 -3.044 630 HH11 ARG 82 HH11 ARG 82 14.007 -1.889 -6.384 631 HH12 ARG 82 HH12 ARG 82 15.668 -2.004 -6.013 632 HH21 ARG 82 HH21 ARG 82 15.219 -2.405 -2.535 633 HH22 ARG 82 HH22 ARG 82 16.370 -2.309 -3.794 634 H HIS 83 HN HIS 83 11.993 1.430 -2.057 635 HA HIS 83 HA HIS 83 9.833 2.367 -0.351 636 HB2 HIS 83 HB2 HIS 83 12.753 2.962 -0.214 637 HB3 HIS 83 HB1 HIS 83 11.597 4.176 0.315 638 HD1 HIS 83 HD1 HIS 83 13.235 1.020 1.419 639 HD2 HIS 83 HD2 HIS 83 10.003 3.395 2.507 640 HE1 HIS 83 HE1 HIS 83 12.622 0.335 3.756 641 H PHE 84 HN PHE 84 8.603 3.775 -1.139 642 HA PHE 84 HA PHE 84 9.570 5.715 -3.097 643 HB2 PHE 84 HB2 PHE 84 7.004 4.102 -3.224 644 HB3 PHE 84 HB1 PHE 84 7.312 5.496 -4.231 645 HD1 PHE 84 HD1 PHE 84 9.069 5.358 -5.992 646 HD2 PHE 84 HD2 PHE 84 7.870 1.963 -3.725 647 HE1 PHE 84 HE1 PHE 84 10.060 3.877 -7.689 648 HE2 PHE 84 HE2 PHE 84 8.865 0.477 -5.417 649 HZ PHE 84 HZ PHE 84 9.960 1.433 -7.398 650 H LEU 85 HN LEU 85 8.625 7.754 -2.682 651 HA LEU 85 HA LEU 85 6.958 7.747 -0.289 652 HB2 LEU 85 HB2 LEU 85 7.983 10.275 -1.645 653 HB3 LEU 85 HB1 LEU 85 7.079 10.063 -0.157 654 HG LEU 85 HG LEU 85 9.034 9.091 0.937 655 HD11 LEU 85 HD11 LEU 85 10.241 8.205 -0.991 656 HD12 LEU 85 HD12 LEU 85 11.223 9.351 -0.054 657 HD13 LEU 85 HD13 LEU 85 10.486 9.859 -1.577 658 HD21 LEU 85 HD21 LEU 85 9.319 11.799 -0.320 659 HD22 LEU 85 HD22 LEU 85 10.286 11.225 1.042 660 HD23 LEU 85 HD23 LEU 85 8.537 11.402 1.205 661 H ILE 86 HN ILE 86 5.162 9.122 -0.267 662 HA ILE 86 HA ILE 86 3.873 9.506 -2.866 663 HB ILE 86 HB ILE 86 2.593 8.726 -0.231 664 HG12 ILE 86 HG12 ILE 86 2.803 7.131 -2.793 665 HG13 ILE 86 HG11 ILE 86 3.793 6.860 -1.364 666 HG21 ILE 86 HG21 ILE 86 1.383 9.177 -2.947 667 HG22 ILE 86 HG22 ILE 86 1.262 10.253 -1.563 668 HG23 ILE 86 HG23 ILE 86 0.511 8.651 -1.501 669 HD11 ILE 86 HD11 ILE 86 1.808 6.328 -0.091 670 HD12 ILE 86 HD12 ILE 86 1.971 5.266 -1.495 671 HD13 ILE 86 HD13 ILE 86 0.804 6.596 -1.514 672 H GLU 87 HN GLU 87 3.810 11.627 -3.120 673 HA GLU 87 HA GLU 87 3.964 13.324 -0.732 674 HB2 GLU 87 HB2 GLU 87 4.381 14.203 -3.606 675 HB3 GLU 87 HB1 GLU 87 4.822 15.033 -2.118 676 HG2 GLU 87 HG2 GLU 87 6.503 13.399 -1.716 677 HG3 GLU 87 HG1 GLU 87 6.051 12.583 -3.217 678 H THR 88 HN THR 88 2.473 14.989 -0.489 679 HA THR 88 HA THR 88 0.413 15.075 -2.488 680 HB THR 88 HB THR 88 -0.604 13.707 -0.813 681 HG1 THR 88 HG1 THR 88 -1.831 15.490 -1.647 682 HG21 THR 88 HG21 THR 88 0.866 14.131 1.053 683 HG22 THR 88 HG22 THR 88 -0.808 14.384 1.558 684 HG23 THR 88 HG23 THR 88 0.239 15.771 1.227 685 H GLY 89 HN GLY 89 -0.476 17.111 -2.777 686 HA2 GLY 89 HA2 GLY 89 0.382 19.292 -1.072 687 HA3 GLY 89 HA1 GLY 89 0.943 19.307 -2.745 688 HA PRO 90 HA PRO 90 -3.087 21.595 -2.647 689 HB2 PRO 90 HB2 PRO 90 -2.429 23.111 -4.866 690 HB3 PRO 90 HB1 PRO 90 -2.131 23.587 -3.192 691 HG2 PRO 90 HG2 PRO 90 -0.258 22.343 -5.168 692 HG3 PRO 90 HG1 PRO 90 0.041 23.637 -3.999 693 HD2 PRO 90 HD2 PRO 90 0.867 21.153 -3.533 694 HD3 PRO 90 HD1 PRO 90 0.228 22.161 -2.224 695 H LYS 91 HN LYS 91 -1.442 19.923 -5.279 696 HA LYS 91 HA LYS 91 -3.744 19.935 -6.925 697 HB2 LYS 91 HB2 LYS 91 -1.165 18.413 -7.156 698 HB3 LYS 91 HB1 LYS 91 -2.494 18.174 -8.272 699 HG2 LYS 91 HG2 LYS 91 -1.072 19.677 -9.341 700 HG3 LYS 91 HG1 LYS 91 -2.390 20.655 -8.684 701 HD2 LYS 91 HD2 LYS 91 -0.970 21.233 -6.777 702 HD3 LYS 91 HD1 LYS 91 0.353 20.324 -7.520 703 HE2 LYS 91 HE2 LYS 91 -1.090 22.643 -8.708 704 HE3 LYS 91 HE1 LYS 91 0.515 22.739 -7.975 705 HZ1 LYS 91 HZ1 LYS 91 0.743 22.579 -10.373 706 HZ2 LYS 91 HZ2 LYS 91 -0.242 21.248 -10.451 707 HZ3 LYS 91 HZ3 LYS 91 1.279 21.128 -9.723 708 H GLY 92 HN GLY 92 -2.110 17.446 -4.955 709 HA2 GLY 92 HA2 GLY 92 -4.305 16.229 -3.914 710 HA3 GLY 92 HA1 GLY 92 -4.068 15.435 -5.465 711 H VAL 93 HN VAL 93 -3.407 13.470 -4.671 712 HA VAL 93 HA VAL 93 -0.780 13.539 -3.389 713 HB VAL 93 HB VAL 93 -2.590 12.833 -1.806 714 HG11 VAL 93 HG11 VAL 93 -3.672 10.672 -2.024 715 HG12 VAL 93 HG12 VAL 93 -2.912 10.458 -3.598 716 HG13 VAL 93 HG13 VAL 93 -4.094 11.746 -3.363 717 HG21 VAL 93 HG21 VAL 93 -1.478 10.939 -0.892 718 HG22 VAL 93 HG22 VAL 93 -0.248 12.011 -1.595 719 HG23 VAL 93 HG23 VAL 93 -0.769 10.569 -2.450 720 H LYS 94 HN LYS 94 0.765 11.985 -4.091 721 HA LYS 94 HA LYS 94 0.160 10.312 -6.400 722 HB2 LYS 94 HB2 LYS 94 1.683 11.634 -7.861 723 HB3 LYS 94 HB1 LYS 94 0.216 12.500 -7.417 724 HG2 LYS 94 HG2 LYS 94 1.667 13.441 -5.472 725 HG3 LYS 94 HG1 LYS 94 3.017 12.940 -6.475 726 HD2 LYS 94 HD2 LYS 94 0.805 14.725 -7.417 727 HD3 LYS 94 HD1 LYS 94 2.249 15.332 -6.652 728 HE2 LYS 94 HE2 LYS 94 2.559 15.536 -9.047 729 HE3 LYS 94 HE1 LYS 94 3.609 14.261 -8.466 730 HZ1 LYS 94 HZ1 LYS 94 0.996 13.792 -9.858 731 HZ2 LYS 94 HZ2 LYS 94 2.127 12.611 -9.421 732 HZ3 LYS 94 HZ3 LYS 94 2.511 13.758 -10.558 733 H ILE 95 HN ILE 95 2.076 9.064 -7.076 734 HA ILE 95 HA ILE 95 3.873 8.567 -4.887 735 HB ILE 95 HB ILE 95 3.631 7.185 -7.584 736 HG12 ILE 95 HG12 ILE 95 2.728 6.367 -4.810 737 HG13 ILE 95 HG11 ILE 95 1.684 6.860 -6.136 738 HG21 ILE 95 HG21 ILE 95 5.061 5.410 -6.653 739 HG22 ILE 95 HG22 ILE 95 5.294 6.370 -5.190 740 HG23 ILE 95 HG23 ILE 95 5.917 6.950 -6.732 741 HD11 ILE 95 HD11 ILE 95 1.656 4.457 -5.837 742 HD12 ILE 95 HD12 ILE 95 3.406 4.393 -6.044 743 HD13 ILE 95 HD13 ILE 95 2.377 4.869 -7.392 744 H LYS 96 HN LYS 96 5.974 8.911 -4.793 745 HA LYS 96 HA LYS 96 7.069 11.046 -6.386 746 HB2 LYS 96 HB2 LYS 96 7.214 10.957 -3.925 747 HB3 LYS 96 HB1 LYS 96 8.179 9.505 -4.046 748 HG2 LYS 96 HG2 LYS 96 9.523 11.501 -3.569 749 HG3 LYS 96 HG1 LYS 96 9.975 10.749 -5.103 750 HD2 LYS 96 HD2 LYS 96 8.980 12.408 -6.357 751 HD3 LYS 96 HD1 LYS 96 7.932 12.914 -5.038 752 HE2 LYS 96 HE2 LYS 96 9.787 13.811 -3.860 753 HE3 LYS 96 HE1 LYS 96 10.925 13.361 -5.159 754 HZ1 LYS 96 HZ1 LYS 96 9.572 14.842 -6.612 755 HZ2 LYS 96 HZ2 LYS 96 10.234 15.690 -5.295 756 HZ3 LYS 96 HZ3 LYS 96 8.619 15.214 -5.268 757 H GLY 97 HN GLY 97 8.607 10.852 -7.889 758 HA2 GLY 97 HA2 GLY 97 10.510 10.004 -8.937 759 HA3 GLY 97 HA1 GLY 97 10.394 8.570 -7.927 760 H CYS 98 HN CYS 98 7.796 9.887 -9.856 761 HA CYS 98 HA CYS 98 8.127 7.733 -11.773 762 HB2 CYS 98 HB2 CYS 98 6.648 6.905 -9.939 763 HB3 CYS 98 HB1 CYS 98 5.568 8.258 -10.239 764 HG CYS 98 HG CYS 98 4.316 6.072 -11.289 765 HA PRO 99 HA PRO 99 6.635 11.139 -14.348 766 HB2 PRO 99 HB2 PRO 99 6.623 9.888 -16.712 767 HB3 PRO 99 HB1 PRO 99 8.144 10.232 -15.887 768 HG2 PRO 99 HG2 PRO 99 6.654 7.660 -16.110 769 HG3 PRO 99 HG1 PRO 99 8.401 7.951 -16.123 770 HD2 PRO 99 HD2 PRO 99 6.885 7.104 -13.939 771 HD3 PRO 99 HD1 PRO 99 8.520 7.770 -13.853 772 H SER 100 HN SER 100 4.901 8.759 -13.177 773 HA SER 100 HA SER 100 2.527 9.257 -14.741 774 HB2 SER 100 HB2 SER 100 3.431 7.004 -15.199 775 HB3 SER 100 HB1 SER 100 3.599 6.699 -13.480 776 HG SER 100 HG SER 100 1.622 6.211 -13.334 777 H GLU 101 HN GLU 101 0.985 7.946 -12.966 778 HA GLU 101 HA GLU 101 -0.279 8.141 -11.199 779 HB2 GLU 101 HB2 GLU 101 2.360 8.625 -9.873 780 HB3 GLU 101 HB1 GLU 101 0.880 8.793 -8.940 781 HG2 GLU 101 HG2 GLU 101 1.842 6.570 -8.666 782 HG3 GLU 101 HG1 GLU 101 0.274 6.484 -9.447 783 HA PRO 102 HA PRO 102 -1.368 12.372 -11.803 784 HB2 PRO 102 HB2 PRO 102 -4.030 11.978 -11.616 785 HB3 PRO 102 HB1 PRO 102 -3.124 11.530 -13.066 786 HG2 PRO 102 HG2 PRO 102 -4.062 9.811 -10.811 787 HG3 PRO 102 HG1 PRO 102 -4.115 9.496 -12.555 788 HD2 PRO 102 HD2 PRO 102 -2.221 8.473 -10.904 789 HD3 PRO 102 HD1 PRO 102 -1.928 8.819 -12.623 790 H TYR 103 HN TYR 103 -3.542 13.378 -10.511 791 HA TYR 103 HA TYR 103 -2.515 13.416 -7.803 792 HB2 TYR 103 HB2 TYR 103 -4.589 15.227 -9.039 793 HB3 TYR 103 HB1 TYR 103 -3.639 15.517 -7.584 794 HD1 TYR 103 HD2 TYR 103 -0.980 15.444 -8.011 795 HD2 TYR 103 HD1 TYR 103 -3.922 16.299 -10.971 796 HE1 TYR 103 HE2 TYR 103 0.715 16.562 -9.372 797 HE2 TYR 103 HE1 TYR 103 -2.220 17.414 -12.337 798 HH TYR 103 HH TYR 103 -0.072 18.478 -12.072 799 H PHE 104 HN PHE 104 -3.373 11.650 -6.858 800 HA PHE 104 HA PHE 104 -6.130 10.930 -7.206 801 HB2 PHE 104 HB2 PHE 104 -4.049 9.914 -5.240 802 HB3 PHE 104 HB1 PHE 104 -5.646 9.222 -5.453 803 HD1 PHE 104 HD2 PHE 104 -6.177 7.935 -7.472 804 HD2 PHE 104 HD1 PHE 104 -2.260 9.467 -6.791 805 HE1 PHE 104 HE2 PHE 104 -5.274 6.394 -9.175 806 HE2 PHE 104 HE1 PHE 104 -1.364 7.911 -8.502 807 HZ PHE 104 HZ PHE 104 -2.879 6.390 -9.680 808 H GLY 105 HN GLY 105 -7.603 10.820 -5.353 809 HA2 GLY 105 HA2 GLY 105 -7.600 13.271 -3.868 810 HA3 GLY 105 HA1 GLY 105 -8.795 11.986 -3.742 811 H SER 106 HN SER 106 -7.396 9.854 -2.936 812 HA SER 106 HA SER 106 -5.935 10.641 -0.536 813 HB2 SER 106 HB2 SER 106 -8.253 8.688 -0.593 814 HB3 SER 106 HB1 SER 106 -7.274 9.083 0.816 815 HG SER 106 HG SER 106 -7.991 11.281 0.521 816 H LEU 107 HN LEU 107 -4.884 8.663 0.457 817 HA LEU 107 HA LEU 107 -3.314 7.298 -1.398 818 HB2 LEU 107 HB2 LEU 107 -3.843 6.945 1.524 819 HB3 LEU 107 HB1 LEU 107 -2.933 5.725 0.668 820 HG LEU 107 HG LEU 107 -1.163 7.328 0.173 821 HD11 LEU 107 HD11 LEU 107 -2.784 9.349 1.683 822 HD12 LEU 107 HD12 LEU 107 -2.545 9.325 -0.074 823 HD13 LEU 107 HD13 LEU 107 -1.159 9.538 1.015 824 HD21 LEU 107 HD21 LEU 107 -1.057 6.165 2.263 825 HD22 LEU 107 HD22 LEU 107 -2.034 7.414 3.038 826 HD23 LEU 107 HD23 LEU 107 -0.419 7.800 2.438 827 H SER 108 HN SER 108 -6.305 6.391 0.219 828 HA SER 108 HA SER 108 -6.504 3.729 -0.159 829 HB2 SER 108 HB2 SER 108 -8.764 5.639 -0.656 830 HB3 SER 108 HB1 SER 108 -8.792 4.079 0.174 831 HG SER 108 HG SER 108 -8.833 5.978 1.535 832 H ALA 109 HN ALA 109 -7.033 6.302 -2.538 833 HA ALA 109 HA ALA 109 -8.285 4.703 -4.521 834 HB1 ALA 109 HB1 ALA 109 -8.483 7.157 -4.433 835 HB2 ALA 109 HB2 ALA 109 -7.938 6.588 -6.011 836 HB3 ALA 109 HB3 ALA 109 -6.784 7.295 -4.879 837 H LEU 110 HN LEU 110 -4.923 5.839 -4.173 838 HA LEU 110 HA LEU 110 -4.110 4.422 -6.480 839 HB2 LEU 110 HB2 LEU 110 -1.766 4.946 -5.768 840 HB3 LEU 110 HB1 LEU 110 -2.803 6.337 -5.917 841 HG LEU 110 HG LEU 110 -3.021 6.184 -3.340 842 HD11 LEU 110 HD11 LEU 110 -0.506 4.558 -3.684 843 HD12 LEU 110 HD12 LEU 110 -2.043 3.997 -3.016 844 HD13 LEU 110 HD13 LEU 110 -1.119 5.227 -2.166 845 HD21 LEU 110 HD21 LEU 110 -0.420 6.985 -4.629 846 HD22 LEU 110 HD22 LEU 110 -0.987 7.502 -3.038 847 HD23 LEU 110 HD23 LEU 110 -1.873 7.977 -4.489 848 H VAL 111 HN VAL 111 -4.210 3.669 -3.109 849 HA VAL 111 HA VAL 111 -2.794 1.292 -3.104 850 HB VAL 111 HB VAL 111 -5.113 2.246 -1.403 851 HG11 VAL 111 HG11 VAL 111 -5.201 -0.190 -1.390 852 HG12 VAL 111 HG12 VAL 111 -4.579 0.404 0.157 853 HG13 VAL 111 HG13 VAL 111 -3.473 -0.251 -1.057 854 HG21 VAL 111 HG21 VAL 111 -3.365 2.462 0.299 855 HG22 VAL 111 HG22 VAL 111 -3.024 3.428 -1.136 856 HG23 VAL 111 HG23 VAL 111 -2.167 1.907 -0.872 857 H SER 112 HN SER 112 -6.256 1.808 -3.628 858 HA SER 112 HA SER 112 -6.849 -0.895 -4.176 859 HB2 SER 112 HB2 SER 112 -9.031 0.069 -5.019 860 HB3 SER 112 HB1 SER 112 -8.570 0.583 -3.394 861 HG SER 112 HG SER 112 -7.540 2.323 -5.128 862 H GLN 113 HN GLN 113 -5.465 1.566 -6.141 863 HA GLN 113 HA GLN 113 -6.422 0.407 -8.625 864 HB2 GLN 113 HB2 GLN 113 -6.289 2.874 -8.262 865 HB3 GLN 113 HB1 GLN 113 -4.538 2.721 -8.233 866 HG2 GLN 113 HG2 GLN 113 -4.567 1.864 -10.503 867 HG3 GLN 113 HG1 GLN 113 -6.325 2.006 -10.536 868 HE21 GLN 113 HE21 GLN 113 -7.252 4.058 -10.570 869 HE22 GLN 113 HE22 GLN 113 -6.346 5.436 -11.050 870 H HIS 114 HN HIS 114 -3.386 0.765 -6.833 871 HA HIS 114 HA HIS 114 -1.895 -0.386 -8.967 872 HB2 HIS 114 HB2 HIS 114 -1.029 0.247 -6.149 873 HB3 HIS 114 HB1 HIS 114 0.046 -0.385 -7.396 874 HD1 HIS 114 HD1 HIS 114 -0.557 1.326 -9.796 875 HD2 HIS 114 HD2 HIS 114 -0.519 2.853 -5.936 876 HE1 HIS 114 HE1 HIS 114 -0.182 3.817 -10.020 877 H SER 115 HN SER 115 -3.921 -1.820 -6.865 878 HA SER 115 HA SER 115 -2.630 -4.328 -6.550 879 HB2 SER 115 HB2 SER 115 -5.575 -3.707 -6.776 880 HB3 SER 115 HB1 SER 115 -4.835 -5.119 -6.012 881 HG SER 115 HG SER 115 -3.806 -3.609 -4.593 882 H ILE 116 HN ILE 116 -4.363 -2.663 -9.028 883 HA ILE 116 HA ILE 116 -4.677 -5.032 -10.709 884 HB ILE 116 HB ILE 116 -5.661 -2.188 -11.099 885 HG12 ILE 116 HG12 ILE 116 -7.214 -4.631 -10.204 886 HG13 ILE 116 HG11 ILE 116 -6.672 -3.343 -9.139 887 HG21 ILE 116 HG21 ILE 116 -6.362 -4.719 -12.593 888 HG22 ILE 116 HG22 ILE 116 -5.412 -3.368 -13.216 889 HG23 ILE 116 HG23 ILE 116 -7.120 -3.144 -12.836 890 HD11 ILE 116 HD11 ILE 116 -8.083 -1.755 -10.330 891 HD12 ILE 116 HD12 ILE 116 -9.026 -3.114 -9.711 892 HD13 ILE 116 HD13 ILE 116 -8.601 -3.035 -11.422 893 H SER 117 HN SER 117 -3.361 -1.717 -10.777 894 HA SER 117 HA SER 117 -1.577 -2.585 -12.932 895 HB2 SER 117 HB2 SER 117 -2.784 0.156 -12.541 896 HB3 SER 117 HB1 SER 117 -1.685 -0.322 -13.838 897 HG SER 117 HG SER 117 -3.683 -2.058 -13.706 898 HA PRO 118 HA PRO 118 1.382 -1.103 -9.828 899 HB2 PRO 118 HB2 PRO 118 3.341 -2.899 -10.491 900 HB3 PRO 118 HB1 PRO 118 2.076 -3.247 -9.316 901 HG2 PRO 118 HG2 PRO 118 2.416 -4.263 -12.055 902 HG3 PRO 118 HG1 PRO 118 1.491 -4.948 -10.712 903 HD2 PRO 118 HD2 PRO 118 0.496 -3.494 -12.949 904 HD3 PRO 118 HD1 PRO 118 -0.420 -4.065 -11.542 905 H ILE 119 HN ILE 119 1.889 0.813 -10.775 906 HA ILE 119 HA ILE 119 3.088 0.806 -13.408 907 HB ILE 119 HB ILE 119 2.183 3.147 -11.704 908 HG12 ILE 119 HG12 ILE 119 0.838 1.790 -14.068 909 HG13 ILE 119 HG11 ILE 119 0.384 1.560 -12.389 910 HG21 ILE 119 HG21 ILE 119 3.014 3.040 -14.625 911 HG22 ILE 119 HG22 ILE 119 3.906 3.819 -13.322 912 HG23 ILE 119 HG23 ILE 119 2.335 4.443 -13.806 913 HD11 ILE 119 HD11 ILE 119 -1.131 3.067 -13.532 914 HD12 ILE 119 HD12 ILE 119 0.217 4.135 -13.937 915 HD13 ILE 119 HD13 ILE 119 -0.260 3.918 -12.258 916 H SER 120 HN SER 120 3.883 2.877 -10.579 917 HA SER 120 HA SER 120 6.635 2.914 -11.260 918 HB2 SER 120 HB2 SER 120 6.592 4.073 -8.917 919 HB3 SER 120 HB1 SER 120 5.813 4.860 -10.293 920 HG SER 120 HG SER 120 3.961 4.627 -9.398 921 H LEU 121 HN LEU 121 4.570 1.137 -9.264 922 HA LEU 121 HA LEU 121 6.571 -0.032 -7.564 923 HB2 LEU 121 HB2 LEU 121 3.683 -0.777 -7.973 924 HB3 LEU 121 HB1 LEU 121 4.701 -1.254 -6.630 925 HG LEU 121 HG LEU 121 3.800 1.564 -7.234 926 HD11 LEU 121 HD11 LEU 121 2.929 -0.369 -5.108 927 HD12 LEU 121 HD12 LEU 121 1.971 0.185 -6.483 928 HD13 LEU 121 HD13 LEU 121 2.445 1.322 -5.222 929 HD21 LEU 121 HD21 LEU 121 4.732 2.103 -5.038 930 HD22 LEU 121 HD22 LEU 121 5.975 1.535 -6.149 931 HD23 LEU 121 HD23 LEU 121 5.355 0.460 -4.892 932 HA PRO 122 HA PRO 122 7.390 -3.277 -10.599 933 HB2 PRO 122 HB2 PRO 122 9.081 -4.761 -9.110 934 HB3 PRO 122 HB1 PRO 122 9.550 -3.208 -9.811 935 HG2 PRO 122 HG2 PRO 122 8.650 -3.826 -7.024 936 HG3 PRO 122 HG1 PRO 122 10.014 -2.815 -7.547 937 HD2 PRO 122 HD2 PRO 122 7.626 -1.789 -6.771 938 HD3 PRO 122 HD1 PRO 122 8.644 -1.012 -7.998 939 H CYS 123 HN CYS 123 5.686 -3.569 -7.769 940 HA CYS 123 HA CYS 123 4.613 -6.142 -8.541 941 HB2 CYS 123 HB2 CYS 123 5.558 -5.528 -5.714 942 HB3 CYS 123 HB1 CYS 123 4.656 -6.958 -6.197 943 HG CYS 123 HG CYS 123 7.130 -6.867 -8.174 944 H CYS 124 HN CYS 124 2.453 -6.405 -7.707 945 HA CYS 124 HA CYS 124 1.137 -3.864 -7.496 946 HB2 CYS 124 HB2 CYS 124 -0.930 -5.243 -7.624 947 HB3 CYS 124 HB1 CYS 124 0.174 -5.485 -8.968 948 HG CYS 124 HG CYS 124 -0.514 -7.988 -8.690 949 H LEU 125 HN LEU 125 -0.218 -3.222 -5.860 950 HA LEU 125 HA LEU 125 0.611 -3.931 -3.209 951 HB2 LEU 125 HB2 LEU 125 -1.678 -2.205 -4.149 952 HB3 LEU 125 HB1 LEU 125 -1.131 -2.337 -2.493 953 HG LEU 125 HG LEU 125 0.397 -1.134 -4.793 954 HD11 LEU 125 HD11 LEU 125 -1.416 0.233 -4.042 955 HD12 LEU 125 HD12 LEU 125 0.112 0.946 -3.505 956 HD13 LEU 125 HD13 LEU 125 -0.909 0.059 -2.366 957 HD21 LEU 125 HD21 LEU 125 2.035 -0.479 -3.076 958 HD22 LEU 125 HD22 LEU 125 1.919 -2.226 -3.267 959 HD23 LEU 125 HD23 LEU 125 1.145 -1.439 -1.890 960 H ARG 126 HN ARG 126 -0.123 -5.666 -2.173 961 HA ARG 126 HA ARG 126 -2.746 -6.669 -2.972 962 HB2 ARG 126 HB2 ARG 126 -0.554 -8.123 -1.489 963 HB3 ARG 126 HB1 ARG 126 -2.078 -8.817 -2.015 964 HG2 ARG 126 HG2 ARG 126 0.218 -7.886 -3.724 965 HG3 ARG 126 HG1 ARG 126 -0.400 -9.527 -3.548 966 HD2 ARG 126 HD2 ARG 126 -1.781 -7.188 -4.872 967 HD3 ARG 126 HD1 ARG 126 -1.117 -8.606 -5.666 968 HE ARG 126 HE ARG 126 -3.006 -9.461 -3.815 969 HH11 ARG 126 HH11 ARG 126 -2.906 -7.662 -6.871 970 HH12 ARG 126 HH12 ARG 126 -4.493 -8.078 -7.326 971 HH21 ARG 126 HH21 ARG 126 -5.226 -9.986 -4.446 972 HH22 ARG 126 HH22 ARG 126 -5.817 -9.425 -5.929 973 H ILE 127 HN ILE 127 -4.290 -6.005 -1.758 974 HA ILE 127 HA ILE 127 -3.771 -5.417 1.034 975 HB ILE 127 HB ILE 127 -6.253 -4.794 -0.643 976 HG12 ILE 127 HG12 ILE 127 -5.500 -2.368 -0.243 977 HG13 ILE 127 HG11 ILE 127 -3.955 -3.063 0.222 978 HG21 ILE 127 HG21 ILE 127 -6.827 -5.035 1.699 979 HG22 ILE 127 HG22 ILE 127 -6.917 -3.334 1.208 980 HG23 ILE 127 HG23 ILE 127 -5.532 -3.910 2.135 981 HD11 ILE 127 HD11 ILE 127 -5.265 -3.307 -2.474 982 HD12 ILE 127 HD12 ILE 127 -3.708 -3.997 -2.016 983 HD13 ILE 127 HD13 ILE 127 -3.917 -2.248 -2.060 984 HA PRO 128 HA PRO 128 -5.605 -9.415 2.035 985 HB2 PRO 128 HB2 PRO 128 -5.936 -8.193 4.718 986 HB3 PRO 128 HB1 PRO 128 -5.102 -9.679 4.264 987 HG2 PRO 128 HG2 PRO 128 -3.734 -7.502 4.975 988 HG3 PRO 128 HG1 PRO 128 -3.154 -8.562 3.677 989 HD2 PRO 128 HD2 PRO 128 -4.529 -5.910 3.489 990 HD3 PRO 128 HD1 PRO 128 -3.180 -6.566 2.534 991 H SER 129 HN SER 129 -6.924 -6.348 2.901 992 HA SER 129 HA SER 129 -8.957 -5.398 2.793 993 HB2 SER 129 HB2 SER 129 -9.440 -6.840 0.795 994 HB3 SER 129 HB1 SER 129 -10.093 -8.064 1.877 995 HG SER 129 HG SER 129 -11.593 -6.269 2.586 996 H LYS 130 HN LYS 130 -8.758 -8.490 4.433 997 HA LYS 130 HA LYS 130 -10.255 -7.261 6.600 998 HB2 LYS 130 HB2 LYS 130 -10.602 -10.066 5.566 999 HB3 LYS 130 HB1 LYS 130 -11.223 -9.508 7.109 1000 HG2 LYS 130 HG2 LYS 130 -12.528 -7.788 5.877 1001 HG3 LYS 130 HG1 LYS 130 -12.013 -8.566 4.375 1002 HD2 LYS 130 HD2 LYS 130 -12.962 -10.653 5.131 1003 HD3 LYS 130 HD1 LYS 130 -13.456 -9.865 6.636 1004 HE2 LYS 130 HE2 LYS 130 -14.891 -8.333 5.354 1005 HE3 LYS 130 HE1 LYS 130 -14.393 -9.113 3.855 1006 HZ1 LYS 130 HZ1 LYS 130 -16.535 -9.938 4.573 1007 HZ2 LYS 130 HZ2 LYS 130 -15.899 -10.401 6.066 1008 HZ3 LYS 130 HZ3 LYS 130 -15.394 -11.169 4.653 1009 H ASP 131 HN ASP 131 -10.056 -9.206 8.397 1010 HA ASP 131 HA ASP 131 -7.158 -9.264 8.887 1011 HB2 ASP 131 HB2 ASP 131 -9.455 -9.703 10.833 1012 HB3 ASP 131 HB1 ASP 131 -7.751 -9.736 11.244 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -18.334 24.662 -17.340 2 H2 MET 1 HT2 MET 1 -18.240 26.325 -17.110 3 H3 MET 1 HT3 MET 1 -19.129 25.395 -16.047 4 HA MET 1 HA MET 1 -17.036 26.142 -15.172 5 HB2 MET 1 HB2 MET 1 -16.242 23.967 -14.290 6 HB3 MET 1 HB1 MET 1 -17.989 24.115 -14.224 7 HG2 MET 1 HG2 MET 1 -18.209 22.644 -16.160 8 HG3 MET 1 HG1 MET 1 -16.462 22.580 -16.321 9 HE1 MET 1 HE1 MET 1 -14.851 21.289 -14.740 10 HE2 MET 1 HE2 MET 1 -15.344 20.513 -13.234 11 HE3 MET 1 HE3 MET 1 -15.390 22.267 -13.371 12 H HIS 2 HN HIS 2 -15.077 26.884 -15.777 13 HA HIS 2 HA HIS 2 -13.589 25.239 -17.713 14 HB2 HIS 2 HB2 HIS 2 -14.311 27.644 -18.436 15 HB3 HIS 2 HB1 HIS 2 -13.114 28.204 -17.278 16 HD1 HIS 2 HD1 HIS 2 -10.538 27.389 -17.850 17 HD2 HIS 2 HD2 HIS 2 -13.350 26.955 -20.866 18 HE1 HIS 2 HE1 HIS 2 -9.233 27.220 -19.995 19 H HIS 3 HN HIS 3 -13.951 25.968 -14.618 20 HA HIS 3 HA HIS 3 -11.236 25.233 -13.913 21 HB2 HIS 3 HB2 HIS 3 -12.840 27.497 -12.649 22 HB3 HIS 3 HB1 HIS 3 -11.421 26.786 -11.903 23 HD1 HIS 3 HD1 HIS 3 -12.357 29.603 -13.898 24 HD2 HIS 3 HD2 HIS 3 -9.079 27.060 -13.754 25 HE1 HIS 3 HE1 HIS 3 -10.473 30.832 -15.032 26 H HIS 4 HN HIS 4 -11.640 25.015 -11.203 27 HA HIS 4 HA HIS 4 -12.541 23.751 -9.558 28 HB2 HIS 4 HB2 HIS 4 -15.128 24.013 -11.138 29 HB3 HIS 4 HB1 HIS 4 -15.010 23.351 -9.515 30 HD1 HIS 4 HD1 HIS 4 -15.590 26.448 -11.294 31 HD2 HIS 4 HD2 HIS 4 -14.090 25.370 -7.579 32 HE1 HIS 4 HE1 HIS 4 -15.761 28.502 -9.857 33 H HIS 5 HN HIS 5 -11.243 22.639 -11.665 34 HA HIS 5 HA HIS 5 -12.529 20.385 -12.764 35 HB2 HIS 5 HB2 HIS 5 -9.583 20.967 -12.415 36 HB3 HIS 5 HB1 HIS 5 -10.242 19.653 -13.382 37 HD1 HIS 5 HD1 HIS 5 -8.942 22.972 -13.820 38 HD2 HIS 5 HD2 HIS 5 -12.138 20.831 -15.424 39 HE1 HIS 5 HE1 HIS 5 -9.502 24.066 -16.005 40 H HIS 6 HN HIS 6 -12.780 18.400 -12.049 41 HA HIS 6 HA HIS 6 -12.816 16.560 -10.785 42 HB2 HIS 6 HB2 HIS 6 -10.221 17.551 -9.543 43 HB3 HIS 6 HB1 HIS 6 -10.866 15.923 -9.402 44 HD1 HIS 6 HD1 HIS 6 -10.260 14.259 -11.386 45 HD2 HIS 6 HD2 HIS 6 -9.205 18.233 -12.087 46 HE1 HIS 6 HE1 HIS 6 -8.865 14.259 -13.438 47 H HIS 7 HN HIS 7 -13.877 19.253 -9.781 48 HA HIS 7 HA HIS 7 -13.796 19.353 -6.977 49 HB2 HIS 7 HB2 HIS 7 -15.816 20.750 -7.048 50 HB3 HIS 7 HB1 HIS 7 -14.725 21.214 -8.340 51 HD1 HIS 7 HD1 HIS 7 -15.623 20.987 -10.740 52 HD2 HIS 7 HD2 HIS 7 -18.237 19.550 -7.866 53 HE1 HIS 7 HE1 HIS 7 -17.820 20.543 -11.937 54 H SER 8 HN SER 8 -15.628 17.363 -9.044 55 HA SER 8 HA SER 8 -16.319 15.492 -7.094 56 HB2 SER 8 HB2 SER 8 -18.068 17.240 -6.549 57 HB3 SER 8 HB1 SER 8 -18.637 17.123 -8.212 58 HG SER 8 HG SER 8 -18.705 15.143 -6.184 59 H SER 9 HN SER 9 -17.086 17.023 -10.186 60 HA SER 9 HA SER 9 -17.314 14.583 -11.593 61 HB2 SER 9 HB2 SER 9 -16.536 17.309 -12.661 62 HB3 SER 9 HB1 SER 9 -17.406 16.020 -13.503 63 HG SER 9 HG SER 9 -19.029 16.300 -11.813 64 H GLY 10 HN GLY 10 -15.508 13.378 -11.073 65 HA2 GLY 10 HA2 GLY 10 -13.322 13.113 -12.429 66 HA3 GLY 10 HA1 GLY 10 -12.857 14.534 -11.501 67 H LEU 11 HN LEU 11 -12.374 14.343 -9.350 68 HA LEU 11 HA LEU 11 -11.665 11.649 -8.559 69 HB2 LEU 11 HB2 LEU 11 -10.980 14.340 -7.402 70 HB3 LEU 11 HB1 LEU 11 -10.464 12.823 -6.703 71 HG LEU 11 HG LEU 11 -9.694 13.818 -9.448 72 HD11 LEU 11 HD11 LEU 11 -8.130 13.692 -6.871 73 HD12 LEU 11 HD12 LEU 11 -8.695 15.160 -7.674 74 HD13 LEU 11 HD13 LEU 11 -7.480 14.142 -8.445 75 HD21 LEU 11 HD21 LEU 11 -8.803 11.421 -7.849 76 HD22 LEU 11 HD22 LEU 11 -8.065 11.965 -9.350 77 HD23 LEU 11 HD23 LEU 11 -9.732 11.389 -9.348 78 H VAL 12 HN VAL 12 -13.085 10.533 -7.471 79 HA VAL 12 HA VAL 12 -14.713 11.938 -5.503 80 HB VAL 12 HB VAL 12 -16.179 9.894 -5.444 81 HG11 VAL 12 HG11 VAL 12 -16.799 11.794 -6.824 82 HG12 VAL 12 HG12 VAL 12 -17.262 10.290 -7.620 83 HG13 VAL 12 HG13 VAL 12 -15.829 11.164 -8.153 84 HG21 VAL 12 HG21 VAL 12 -14.582 8.221 -6.224 85 HG22 VAL 12 HG22 VAL 12 -14.505 9.011 -7.802 86 HG23 VAL 12 HG23 VAL 12 -16.002 8.247 -7.269 87 HA PRO 13 HA PRO 13 -12.042 10.085 -2.481 88 HB2 PRO 13 HB2 PRO 13 -12.962 11.336 -0.330 89 HB3 PRO 13 HB1 PRO 13 -12.183 12.248 -1.629 90 HG2 PRO 13 HG2 PRO 13 -15.100 11.911 -1.052 91 HG3 PRO 13 HG1 PRO 13 -14.217 13.381 -1.502 92 HD2 PRO 13 HD2 PRO 13 -15.654 11.826 -3.281 93 HD3 PRO 13 HD1 PRO 13 -14.308 12.902 -3.716 94 H ARG 14 HN ARG 14 -14.791 8.813 -3.193 95 HA ARG 14 HA ARG 14 -15.545 7.704 -0.639 96 HB2 ARG 14 HB2 ARG 14 -17.191 6.327 -1.878 97 HB3 ARG 14 HB1 ARG 14 -17.349 8.037 -2.228 98 HG2 ARG 14 HG2 ARG 14 -16.205 7.699 -4.364 99 HG3 ARG 14 HG1 ARG 14 -16.050 5.977 -4.001 100 HD2 ARG 14 HD2 ARG 14 -18.469 5.749 -3.930 101 HD3 ARG 14 HD1 ARG 14 -18.649 7.481 -4.212 102 HE ARG 14 HE ARG 14 -17.121 6.300 -6.262 103 HH11 ARG 14 HH11 ARG 14 -20.493 6.392 -5.148 104 HH12 ARG 14 HH12 ARG 14 -21.136 6.282 -6.724 105 HH21 ARG 14 HH21 ARG 14 -18.031 6.157 -8.379 106 HH22 ARG 14 HH22 ARG 14 -19.724 6.161 -8.590 107 H GLY 15 HN GLY 15 -14.824 5.944 0.279 108 HA2 GLY 15 HA2 GLY 15 -13.924 3.799 0.363 109 HA3 GLY 15 HA1 GLY 15 -13.413 3.958 -1.318 110 H SER 16 HN SER 16 -12.878 6.350 1.215 111 HA SER 16 HA SER 16 -10.050 6.303 0.653 112 HB2 SER 16 HB2 SER 16 -10.078 8.312 2.140 113 HB3 SER 16 HB1 SER 16 -11.126 8.444 0.729 114 HG SER 16 HG SER 16 -11.757 8.831 3.163 115 H ASP 17 HN ASP 17 -11.569 4.246 2.185 116 HA ASP 17 HA ASP 17 -10.651 4.387 4.915 117 HB2 ASP 17 HB2 ASP 17 -12.108 2.193 3.437 118 HB3 ASP 17 HB1 ASP 17 -11.833 2.255 5.168 119 H THR 18 HN THR 18 -10.100 1.877 5.542 120 HA THR 18 HA THR 18 -8.700 0.293 5.796 121 HB THR 18 HB THR 18 -7.308 -0.738 4.001 122 HG1 THR 18 HG1 THR 18 -8.021 1.572 2.665 123 HG21 THR 18 HG21 THR 18 -9.199 -1.548 2.664 124 HG22 THR 18 HG22 THR 18 -10.185 -0.216 3.278 125 HG23 THR 18 HG23 THR 18 -9.592 -1.453 4.384 126 H SER 19 HN SER 19 -7.708 3.285 5.544 127 HA SER 19 HA SER 19 -4.906 3.095 5.677 128 HB2 SER 19 HB2 SER 19 -6.707 5.116 7.042 129 HB3 SER 19 HB1 SER 19 -4.996 5.324 6.655 130 HG SER 19 HG SER 19 -6.597 6.245 5.182 131 H LYS 20 HN LYS 20 -7.433 2.640 8.002 132 HA LYS 20 HA LYS 20 -5.785 2.538 10.273 133 HB2 LYS 20 HB2 LYS 20 -7.765 1.355 11.354 134 HB3 LYS 20 HB1 LYS 20 -8.026 2.970 10.743 135 HG2 LYS 20 HG2 LYS 20 -9.940 1.831 10.074 136 HG3 LYS 20 HG1 LYS 20 -8.938 1.828 8.633 137 HD2 LYS 20 HD2 LYS 20 -9.869 -0.313 8.794 138 HD3 LYS 20 HD1 LYS 20 -8.180 -0.458 9.293 139 HE2 LYS 20 HE2 LYS 20 -9.590 -1.710 10.764 140 HE3 LYS 20 HE1 LYS 20 -8.863 -0.327 11.600 141 HZ1 LYS 20 HZ1 LYS 20 -11.005 0.877 11.299 142 HZ2 LYS 20 HZ2 LYS 20 -11.172 -0.499 12.222 143 HZ3 LYS 20 HZ3 LYS 20 -11.684 -0.518 10.626 144 H PHE 21 HN PHE 21 -5.908 0.377 7.753 145 HA PHE 21 HA PHE 21 -4.964 -1.826 9.426 146 HB2 PHE 21 HB2 PHE 21 -5.585 -1.747 6.471 147 HB3 PHE 21 HB1 PHE 21 -4.940 -3.144 7.312 148 HD1 PHE 21 HD2 PHE 21 -6.394 -4.019 9.298 149 HD2 PHE 21 HD1 PHE 21 -7.850 -1.542 6.170 150 HE1 PHE 21 HE2 PHE 21 -8.681 -4.804 9.739 151 HE2 PHE 21 HE1 PHE 21 -10.139 -2.312 6.611 152 HZ PHE 21 HZ PHE 21 -10.557 -3.952 8.390 153 H TRP 22 HN TRP 22 -3.947 -0.195 6.393 154 HA TRP 22 HA TRP 22 -1.280 -1.272 6.814 155 HB2 TRP 22 HB2 TRP 22 -0.902 -0.451 4.423 156 HB3 TRP 22 HB1 TRP 22 -2.002 -1.796 4.666 157 HD1 TRP 22 HD1 TRP 22 -4.368 -1.556 3.659 158 HE1 TRP 22 HE1 TRP 22 -5.693 0.328 2.492 159 HE3 TRP 22 HE3 TRP 22 -1.154 2.399 4.454 160 HZ2 TRP 22 HZ2 TRP 22 -5.413 3.072 1.964 161 HZ3 TRP 22 HZ3 TRP 22 -1.790 4.577 3.583 162 HH2 TRP 22 HH2 TRP 22 -3.855 4.913 2.384 163 H TYR 23 HN TYR 23 -2.712 1.656 7.515 164 HA TYR 23 HA TYR 23 -0.289 3.143 6.832 165 HB2 TYR 23 HB2 TYR 23 -2.467 4.008 6.039 166 HB3 TYR 23 HB1 TYR 23 -3.008 4.132 7.703 167 HD1 TYR 23 HD2 TYR 23 -0.364 5.300 5.418 168 HD2 TYR 23 HD1 TYR 23 -2.744 6.149 8.813 169 HE1 TYR 23 HE2 TYR 23 0.552 7.531 5.463 170 HE2 TYR 23 HE1 TYR 23 -1.846 8.432 8.880 171 HH TYR 23 HH TYR 23 -0.028 9.737 6.323 172 H LYS 24 HN LYS 24 1.154 3.422 8.317 173 HA LYS 24 HA LYS 24 0.327 3.878 11.091 174 HB2 LYS 24 HB2 LYS 24 2.817 2.307 10.282 175 HB3 LYS 24 HB1 LYS 24 2.415 2.791 11.908 176 HG2 LYS 24 HG2 LYS 24 1.957 0.494 11.812 177 HG3 LYS 24 HG1 LYS 24 0.379 1.265 11.695 178 HD2 LYS 24 HD2 LYS 24 0.260 0.817 9.353 179 HD3 LYS 24 HD1 LYS 24 1.956 0.341 9.294 180 HE2 LYS 24 HE2 LYS 24 0.550 -1.642 9.233 181 HE3 LYS 24 HE1 LYS 24 1.444 -1.589 10.742 182 HZ1 LYS 24 HZ1 LYS 24 -1.424 -0.877 10.379 183 HZ2 LYS 24 HZ2 LYS 24 -0.579 -0.719 11.827 184 HZ3 LYS 24 HZ3 LYS 24 -0.810 -2.235 11.159 185 HA PRO 25 HA PRO 25 2.592 7.394 9.166 186 HB2 PRO 25 HB2 PRO 25 1.735 9.290 10.949 187 HB3 PRO 25 HB1 PRO 25 0.806 8.778 9.539 188 HG2 PRO 25 HG2 PRO 25 0.549 7.911 12.394 189 HG3 PRO 25 HG1 PRO 25 -0.728 8.308 11.229 190 HD2 PRO 25 HD2 PRO 25 -0.084 5.769 11.820 191 HD3 PRO 25 HD1 PRO 25 -0.581 6.241 10.182 192 H HIS 26 HN HIS 26 2.553 6.501 12.486 193 HA HIS 26 HA HIS 26 4.802 8.141 13.274 194 HB2 HIS 26 HB2 HIS 26 4.408 7.109 15.501 195 HB3 HIS 26 HB1 HIS 26 2.996 7.911 14.815 196 HD1 HIS 26 HD1 HIS 26 4.202 4.561 15.989 197 HD2 HIS 26 HD2 HIS 26 0.907 6.162 14.024 198 HE1 HIS 26 HE1 HIS 26 2.436 2.796 16.049 199 H LEU 27 HN LEU 27 4.676 5.351 11.641 200 HA LEU 27 HA LEU 27 6.633 3.860 13.170 201 HB2 LEU 27 HB2 LEU 27 4.652 2.923 11.820 202 HB3 LEU 27 HB1 LEU 27 5.637 3.224 10.407 203 HG LEU 27 HG LEU 27 7.382 1.733 11.412 204 HD11 LEU 27 HD11 LEU 27 6.704 1.845 13.739 205 HD12 LEU 27 HD12 LEU 27 6.618 0.175 13.174 206 HD13 LEU 27 HD13 LEU 27 5.146 1.124 13.343 207 HD21 LEU 27 HD21 LEU 27 4.670 0.527 10.891 208 HD22 LEU 27 HD22 LEU 27 6.210 -0.329 10.831 209 HD23 LEU 27 HD23 LEU 27 5.871 0.957 9.671 210 H SER 28 HN SER 28 8.743 3.360 12.334 211 HA SER 28 HA SER 28 9.691 5.318 10.384 212 HB2 SER 28 HB2 SER 28 10.612 5.507 12.698 213 HB3 SER 28 HB1 SER 28 11.271 3.886 12.530 214 HG SER 28 HG SER 28 12.930 4.898 11.765 215 H ARG 29 HN ARG 29 11.855 4.455 9.441 216 HA ARG 29 HA ARG 29 11.101 2.613 7.481 217 HB2 ARG 29 HB2 ARG 29 12.735 4.215 6.880 218 HB3 ARG 29 HB1 ARG 29 13.814 3.711 8.174 219 HG2 ARG 29 HG2 ARG 29 14.181 1.576 7.065 220 HG3 ARG 29 HG1 ARG 29 13.071 2.044 5.783 221 HD2 ARG 29 HD2 ARG 29 14.550 3.722 5.004 222 HD3 ARG 29 HD1 ARG 29 15.565 3.596 6.441 223 HE ARG 29 HE ARG 29 15.966 1.243 5.666 224 HH11 ARG 29 HH11 ARG 29 15.451 3.897 3.329 225 HH12 ARG 29 HH12 ARG 29 16.397 3.155 2.124 226 HH21 ARG 29 HH21 ARG 29 17.240 0.245 3.896 227 HH22 ARG 29 HH22 ARG 29 17.371 1.108 2.438 228 H ASP 30 HN ASP 30 13.306 2.027 10.236 229 HA ASP 30 HA ASP 30 13.992 -0.599 9.355 230 HB2 ASP 30 HB2 ASP 30 14.179 0.557 12.141 231 HB3 ASP 30 HB1 ASP 30 14.785 -1.020 11.680 232 H GLN 31 HN GLN 31 11.470 0.649 11.263 233 HA GLN 31 HA GLN 31 10.572 -1.857 12.287 234 HB2 GLN 31 HB2 GLN 31 9.137 0.781 12.034 235 HB3 GLN 31 HB1 GLN 31 8.636 -0.572 13.041 236 HG2 GLN 31 HG2 GLN 31 10.588 -0.335 14.414 237 HG3 GLN 31 HG1 GLN 31 11.224 0.923 13.355 238 HE21 GLN 31 HE21 GLN 31 8.938 0.143 15.808 239 HE22 GLN 31 HE22 GLN 31 8.471 1.776 16.151 240 H ALA 32 HN ALA 32 9.743 0.254 9.603 241 HA ALA 32 HA ALA 32 7.510 -1.086 8.584 242 HB1 ALA 32 HB1 ALA 32 8.076 0.041 6.448 243 HB2 ALA 32 HB2 ALA 32 9.660 0.432 7.107 244 HB3 ALA 32 HB3 ALA 32 8.211 1.134 7.832 245 H ILE 33 HN ILE 33 10.925 -1.466 7.950 246 HA ILE 33 HA ILE 33 10.786 -3.562 6.063 247 HB ILE 33 HB ILE 33 13.000 -2.871 8.013 248 HG12 ILE 33 HG12 ILE 33 12.731 -2.082 5.110 249 HG13 ILE 33 HG11 ILE 33 12.229 -1.053 6.447 250 HG21 ILE 33 HG21 ILE 33 13.113 -4.481 5.450 251 HG22 ILE 33 HG22 ILE 33 13.228 -5.140 7.080 252 HG23 ILE 33 HG23 ILE 33 14.487 -4.066 6.474 253 HD11 ILE 33 HD11 ILE 33 14.479 -1.061 7.290 254 HD12 ILE 33 HD12 ILE 33 14.400 -0.414 5.647 255 HD13 ILE 33 HD13 ILE 33 15.013 -2.055 5.934 256 H ALA 34 HN ALA 34 11.047 -3.489 9.554 257 HA ALA 34 HA ALA 34 11.420 -6.207 10.047 258 HB1 ALA 34 HB1 ALA 34 9.912 -4.260 11.792 259 HB2 ALA 34 HB2 ALA 34 11.664 -4.471 11.776 260 HB3 ALA 34 HB3 ALA 34 10.622 -5.789 12.313 261 H LEU 35 HN LEU 35 8.341 -4.409 9.880 262 HA LEU 35 HA LEU 35 6.737 -6.694 10.242 263 HB2 LEU 35 HB2 LEU 35 6.144 -4.015 9.014 264 HB3 LEU 35 HB1 LEU 35 4.956 -5.285 8.959 265 HG LEU 35 HG LEU 35 4.362 -3.835 10.734 266 HD11 LEU 35 HD11 LEU 35 4.413 -5.222 12.712 267 HD12 LEU 35 HD12 LEU 35 5.618 -6.261 11.960 268 HD13 LEU 35 HD13 LEU 35 4.001 -6.138 11.265 269 HD21 LEU 35 HD21 LEU 35 6.460 -2.693 11.097 270 HD22 LEU 35 HD22 LEU 35 7.144 -4.137 11.846 271 HD23 LEU 35 HD23 LEU 35 5.805 -3.284 12.623 272 H LEU 36 HN LEU 36 8.162 -5.325 7.391 273 HA LEU 36 HA LEU 36 6.710 -7.049 5.626 274 HB2 LEU 36 HB2 LEU 36 8.561 -4.814 5.328 275 HB3 LEU 36 HB1 LEU 36 8.601 -5.988 4.031 276 HG LEU 36 HG LEU 36 6.278 -5.592 3.505 277 HD11 LEU 36 HD11 LEU 36 5.374 -5.372 5.741 278 HD12 LEU 36 HD12 LEU 36 4.897 -4.003 4.744 279 HD13 LEU 36 HD13 LEU 36 6.192 -3.825 5.938 280 HD21 LEU 36 HD21 LEU 36 7.874 -4.002 2.598 281 HD22 LEU 36 HD22 LEU 36 7.695 -2.992 4.029 282 HD23 LEU 36 HD23 LEU 36 6.329 -3.223 2.935 283 H LYS 37 HN LYS 37 9.603 -7.480 7.357 284 HA LYS 37 HA LYS 37 10.612 -9.372 5.437 285 HB2 LYS 37 HB2 LYS 37 12.389 -9.921 7.063 286 HB3 LYS 37 HB1 LYS 37 12.213 -8.192 6.807 287 HG2 LYS 37 HG2 LYS 37 11.062 -7.967 8.924 288 HG3 LYS 37 HG1 LYS 37 11.180 -9.707 9.181 289 HD2 LYS 37 HD2 LYS 37 12.927 -8.489 10.422 290 HD3 LYS 37 HD1 LYS 37 13.612 -9.571 9.213 291 HE2 LYS 37 HE2 LYS 37 13.903 -7.634 7.689 292 HE3 LYS 37 HE1 LYS 37 13.269 -6.572 8.943 293 HZ1 LYS 37 HZ1 LYS 37 15.161 -7.108 10.317 294 HZ2 LYS 37 HZ2 LYS 37 15.728 -6.630 8.787 295 HZ3 LYS 37 HZ3 LYS 37 15.694 -8.251 9.201 296 H ASP 38 HN ASP 38 8.312 -9.424 7.822 297 HA ASP 38 HA ASP 38 8.329 -12.346 7.966 298 HB2 ASP 38 HB2 ASP 38 6.713 -10.289 9.486 299 HB3 ASP 38 HB1 ASP 38 6.447 -12.018 9.621 300 H LYS 39 HN LYS 39 7.188 -10.046 5.991 301 HA LYS 39 HA LYS 39 4.610 -11.353 5.582 302 HB2 LYS 39 HB2 LYS 39 5.532 -8.587 4.880 303 HB3 LYS 39 HB1 LYS 39 4.134 -9.299 4.094 304 HG2 LYS 39 HG2 LYS 39 4.427 -8.935 7.072 305 HG3 LYS 39 HG1 LYS 39 3.555 -7.835 6.000 306 HD2 LYS 39 HD2 LYS 39 2.043 -9.651 5.358 307 HD3 LYS 39 HD1 LYS 39 2.911 -10.767 6.404 308 HE2 LYS 39 HE2 LYS 39 0.902 -10.029 7.496 309 HE3 LYS 39 HE1 LYS 39 2.309 -9.389 8.342 310 HZ1 LYS 39 HZ1 LYS 39 1.916 -7.246 7.276 311 HZ2 LYS 39 HZ2 LYS 39 0.573 -7.763 8.131 312 HZ3 LYS 39 HZ3 LYS 39 0.568 -7.862 6.460 313 H ASP 40 HN ASP 40 3.832 -11.083 3.261 314 HA ASP 40 HA ASP 40 5.555 -12.759 1.633 315 HB2 ASP 40 HB2 ASP 40 3.264 -13.464 2.081 316 HB3 ASP 40 HB1 ASP 40 2.652 -11.934 1.487 317 HA PRO 41 HA PRO 41 6.796 -9.477 -1.152 318 HB2 PRO 41 HB2 PRO 41 6.585 -10.907 -3.553 319 HB3 PRO 41 HB1 PRO 41 8.009 -10.849 -2.518 320 HG2 PRO 41 HG2 PRO 41 5.877 -12.929 -2.688 321 HG3 PRO 41 HG1 PRO 41 7.618 -13.119 -2.415 322 HD2 PRO 41 HD2 PRO 41 5.857 -13.349 -0.418 323 HD3 PRO 41 HD1 PRO 41 7.442 -12.603 -0.152 324 H GLY 42 HN GLY 42 5.548 -7.857 -1.674 325 HA2 GLY 42 HA2 GLY 42 3.882 -6.996 -3.270 326 HA3 GLY 42 HA1 GLY 42 2.895 -8.392 -2.838 327 H ALA 43 HN ALA 43 4.203 -7.878 -0.056 328 HA ALA 43 HA ALA 43 1.961 -6.459 1.001 329 HB1 ALA 43 HB1 ALA 43 3.007 -6.847 3.178 330 HB2 ALA 43 HB2 ALA 43 4.461 -7.433 2.371 331 HB3 ALA 43 HB3 ALA 43 2.952 -8.331 2.225 332 H PHE 44 HN PHE 44 2.026 -4.502 2.128 333 HA PHE 44 HA PHE 44 4.365 -2.820 1.866 334 HB2 PHE 44 HB2 PHE 44 3.207 -1.126 0.621 335 HB3 PHE 44 HB1 PHE 44 3.120 -2.618 -0.303 336 HD1 PHE 44 HD1 PHE 44 0.967 -3.939 -0.267 337 HD2 PHE 44 HD2 PHE 44 1.254 0.004 1.308 338 HE1 PHE 44 HE1 PHE 44 -1.468 -3.732 -0.332 339 HE2 PHE 44 HE2 PHE 44 -1.185 0.214 1.246 340 HZ PHE 44 HZ PHE 44 -2.550 -1.649 0.435 341 H LEU 45 HN LEU 45 3.835 -0.705 2.912 342 HA LEU 45 HA LEU 45 1.415 -0.359 4.333 343 HB2 LEU 45 HB2 LEU 45 2.189 -0.331 6.592 344 HB3 LEU 45 HB1 LEU 45 2.750 -1.843 5.932 345 HG LEU 45 HG LEU 45 4.421 0.616 6.471 346 HD11 LEU 45 HD11 LEU 45 4.315 -2.077 7.804 347 HD12 LEU 45 HD12 LEU 45 3.738 -0.548 8.470 348 HD13 LEU 45 HD13 LEU 45 5.457 -0.787 8.176 349 HD21 LEU 45 HD21 LEU 45 6.351 -0.783 5.919 350 HD22 LEU 45 HD22 LEU 45 5.262 -0.603 4.534 351 HD23 LEU 45 HD23 LEU 45 5.260 -2.095 5.469 352 H ILE 46 HN ILE 46 1.348 1.827 5.232 353 HA ILE 46 HA ILE 46 3.388 3.488 3.946 354 HB ILE 46 HB ILE 46 0.400 4.068 4.037 355 HG12 ILE 46 HG12 ILE 46 2.276 3.498 1.750 356 HG13 ILE 46 HG11 ILE 46 1.042 2.409 2.362 357 HG21 ILE 46 HG21 ILE 46 2.644 5.726 2.859 358 HG22 ILE 46 HG22 ILE 46 1.736 6.125 4.313 359 HG23 ILE 46 HG23 ILE 46 0.923 6.094 2.747 360 HD11 ILE 46 HD11 ILE 46 -0.695 3.935 1.572 361 HD12 ILE 46 HD12 ILE 46 0.426 3.502 0.266 362 HD13 ILE 46 HD13 ILE 46 0.548 5.074 1.049 363 H ARG 47 HN ARG 47 4.229 5.049 5.080 364 HA ARG 47 HA ARG 47 3.085 5.743 7.697 365 HB2 ARG 47 HB2 ARG 47 5.300 5.758 8.654 366 HB3 ARG 47 HB1 ARG 47 5.127 4.225 7.819 367 HG2 ARG 47 HG2 ARG 47 6.379 5.213 5.899 368 HG3 ARG 47 HG1 ARG 47 6.648 6.647 6.883 369 HD2 ARG 47 HD2 ARG 47 7.585 4.935 8.618 370 HD3 ARG 47 HD1 ARG 47 7.747 3.891 7.202 371 HE ARG 47 HE ARG 47 9.244 6.266 7.847 372 HH11 ARG 47 HH11 ARG 47 8.479 3.971 5.233 373 HH12 ARG 47 HH12 ARG 47 9.880 4.381 4.337 374 HH21 ARG 47 HH21 ARG 47 11.114 6.757 6.612 375 HH22 ARG 47 HH22 ARG 47 11.385 5.984 5.116 376 H ASP 48 HN ASP 48 4.615 7.957 8.292 377 HA ASP 48 HA ASP 48 4.082 9.761 6.069 378 HB2 ASP 48 HB2 ASP 48 3.749 10.441 8.505 379 HB3 ASP 48 HB1 ASP 48 5.492 10.353 8.707 380 H SER 49 HN SER 49 5.909 10.936 4.960 381 HA SER 49 HA SER 49 8.121 9.226 4.544 382 HB2 SER 49 HB2 SER 49 7.719 12.100 3.739 383 HB3 SER 49 HB1 SER 49 9.048 11.079 3.187 384 HG SER 49 HG SER 49 7.114 9.619 2.636 385 H HIS 50 HN HIS 50 7.556 11.836 6.750 386 HA HIS 50 HA HIS 50 8.664 12.674 8.477 387 HB2 HIS 50 HB2 HIS 50 9.190 10.293 9.008 388 HB3 HIS 50 HB1 HIS 50 10.655 10.417 8.056 389 HD1 HIS 50 HD1 HIS 50 9.239 11.260 11.425 390 HD2 HIS 50 HD2 HIS 50 12.748 11.817 9.271 391 HE1 HIS 50 HE1 HIS 50 10.962 11.971 13.097 392 H SER 51 HN SER 51 10.900 11.839 5.908 393 HA SER 51 HA SER 51 12.760 13.931 6.388 394 HB2 SER 51 HB2 SER 51 13.262 11.795 5.157 395 HB3 SER 51 HB1 SER 51 12.273 12.371 3.825 396 HG SER 51 HG SER 51 14.214 14.157 4.643 397 H PHE 52 HN PHE 52 9.821 13.651 4.485 398 HA PHE 52 HA PHE 52 10.164 16.431 3.608 399 HB2 PHE 52 HB2 PHE 52 8.876 14.160 2.084 400 HB3 PHE 52 HB1 PHE 52 8.805 15.848 1.600 401 HD1 PHE 52 HD1 PHE 52 10.792 16.978 0.780 402 HD2 PHE 52 HD2 PHE 52 10.843 12.856 1.801 403 HE1 PHE 52 HE1 PHE 52 12.901 16.700 -0.461 404 HE2 PHE 52 HE2 PHE 52 12.935 12.562 0.577 405 HZ PHE 52 HZ PHE 52 13.976 14.481 -0.559 406 H GLN 53 HN GLN 53 8.225 17.614 3.390 407 HA GLN 53 HA GLN 53 6.203 16.711 5.281 408 HB2 GLN 53 HB2 GLN 53 6.848 19.481 4.295 409 HB3 GLN 53 HB1 GLN 53 5.582 19.087 5.451 410 HG2 GLN 53 HG2 GLN 53 8.517 18.599 5.825 411 HG3 GLN 53 HG1 GLN 53 7.597 19.928 6.544 412 HE21 GLN 53 HE21 GLN 53 6.146 19.442 8.188 413 HE22 GLN 53 HE22 GLN 53 6.224 17.981 9.101 414 H GLY 54 HN GLY 54 4.280 16.246 4.615 415 HA2 GLY 54 HA2 GLY 54 2.313 16.381 3.323 416 HA3 GLY 54 HA1 GLY 54 3.191 17.335 2.129 417 H ALA 55 HN ALA 55 4.587 14.435 3.379 418 HA ALA 55 HA ALA 55 3.873 12.994 0.961 419 HB1 ALA 55 HB1 ALA 55 6.708 13.327 1.965 420 HB2 ALA 55 HB2 ALA 55 6.042 14.071 0.512 421 HB3 ALA 55 HB3 ALA 55 6.209 12.319 0.612 422 H TYR 56 HN TYR 56 3.804 10.846 1.200 423 HA TYR 56 HA TYR 56 4.009 9.772 3.937 424 HB2 TYR 56 HB2 TYR 56 2.348 8.731 1.632 425 HB3 TYR 56 HB1 TYR 56 2.292 8.198 3.303 426 HD1 TYR 56 HD1 TYR 56 1.453 9.836 5.050 427 HD2 TYR 56 HD2 TYR 56 0.987 10.477 0.881 428 HE1 TYR 56 HE1 TYR 56 -0.355 11.425 5.506 429 HE2 TYR 56 HE2 TYR 56 -0.825 12.069 1.316 430 HH TYR 56 HH TYR 56 -1.436 13.314 4.395 431 H GLY 57 HN GLY 57 5.186 7.857 4.156 432 HA2 GLY 57 HA2 GLY 57 6.780 7.207 1.788 433 HA3 GLY 57 HA1 GLY 57 7.336 6.948 3.426 434 H LEU 58 HN LEU 58 6.097 5.528 0.747 435 HA LEU 58 HA LEU 58 4.642 3.375 2.037 436 HB2 LEU 58 HB2 LEU 58 3.688 4.223 0.004 437 HB3 LEU 58 HB1 LEU 58 5.225 4.144 -0.821 438 HG LEU 58 HG LEU 58 5.100 1.645 -0.663 439 HD11 LEU 58 HD11 LEU 58 3.588 1.387 1.170 440 HD12 LEU 58 HD12 LEU 58 2.969 0.603 -0.293 441 HD13 LEU 58 HD13 LEU 58 2.298 2.139 0.224 442 HD21 LEU 58 HD21 LEU 58 4.525 2.794 -2.708 443 HD22 LEU 58 HD22 LEU 58 2.858 2.983 -2.142 444 HD23 LEU 58 HD23 LEU 58 3.516 1.369 -2.447 445 H ALA 59 HN ALA 59 5.587 1.497 2.481 446 HA ALA 59 HA ALA 59 8.190 0.933 1.264 447 HB1 ALA 59 HB1 ALA 59 8.663 -0.454 3.243 448 HB2 ALA 59 HB2 ALA 59 7.106 -0.000 3.930 449 HB3 ALA 59 HB3 ALA 59 8.358 1.222 3.694 450 H LEU 60 HN LEU 60 8.284 -0.814 0.066 451 HA LEU 60 HA LEU 60 5.963 -2.641 0.005 452 HB2 LEU 60 HB2 LEU 60 5.925 -1.199 -1.926 453 HB3 LEU 60 HB1 LEU 60 7.608 -1.524 -2.259 454 HG LEU 60 HG LEU 60 7.002 -3.891 -2.763 455 HD11 LEU 60 HD11 LEU 60 4.184 -2.875 -2.498 456 HD12 LEU 60 HD12 LEU 60 4.967 -4.112 -1.503 457 HD13 LEU 60 HD13 LEU 60 4.647 -4.420 -3.209 458 HD21 LEU 60 HD21 LEU 60 5.615 -1.767 -4.385 459 HD22 LEU 60 HD22 LEU 60 5.992 -3.396 -4.944 460 HD23 LEU 60 HD23 LEU 60 7.295 -2.278 -4.543 461 H LYS 61 HN LYS 61 6.462 -4.721 0.248 462 HA LYS 61 HA LYS 61 9.265 -5.495 0.278 463 HB2 LYS 61 HB2 LYS 61 7.877 -6.205 2.158 464 HB3 LYS 61 HB1 LYS 61 6.774 -7.015 1.059 465 HG2 LYS 61 HG2 LYS 61 8.216 -8.643 2.127 466 HG3 LYS 61 HG1 LYS 61 8.582 -8.560 0.405 467 HD2 LYS 61 HD2 LYS 61 10.489 -7.105 0.885 468 HD3 LYS 61 HD1 LYS 61 10.136 -7.207 2.615 469 HE2 LYS 61 HE2 LYS 61 10.985 -9.426 0.761 470 HE3 LYS 61 HE1 LYS 61 11.911 -8.746 2.092 471 HZ1 LYS 61 HZ1 LYS 61 11.008 -10.760 2.889 472 HZ2 LYS 61 HZ2 LYS 61 9.549 -10.494 2.187 473 HZ3 LYS 61 HZ3 LYS 61 9.968 -9.593 3.556 474 H VAL 62 HN VAL 62 10.061 -6.115 -1.609 475 HA VAL 62 HA VAL 62 8.374 -7.752 -3.345 476 HB VAL 62 HB VAL 62 9.940 -7.271 -5.158 477 HG11 VAL 62 HG11 VAL 62 9.107 -4.770 -3.723 478 HG12 VAL 62 HG12 VAL 62 8.142 -5.695 -4.878 479 HG13 VAL 62 HG13 VAL 62 9.591 -4.843 -5.418 480 HG21 VAL 62 HG21 VAL 62 11.492 -5.604 -3.162 481 HG22 VAL 62 HG22 VAL 62 11.814 -5.684 -4.894 482 HG23 VAL 62 HG23 VAL 62 12.026 -7.120 -3.890 483 H ALA 63 HN ALA 63 9.609 -9.595 -4.372 484 HA ALA 63 HA ALA 63 10.876 -11.092 -2.318 485 HB1 ALA 63 HB1 ALA 63 9.550 -12.196 -4.058 486 HB2 ALA 63 HB2 ALA 63 11.207 -12.797 -4.085 487 HB3 ALA 63 HB3 ALA 63 10.670 -11.629 -5.293 488 H THR 64 HN THR 64 11.998 -9.956 -5.472 489 HA THR 64 HA THR 64 14.499 -9.073 -4.402 490 HB THR 64 HB THR 64 15.575 -10.191 -6.476 491 HG1 THR 64 HG1 THR 64 13.960 -10.972 -7.603 492 HG21 THR 64 HG21 THR 64 16.031 -12.320 -5.310 493 HG22 THR 64 HG22 THR 64 14.701 -11.985 -4.199 494 HG23 THR 64 HG23 THR 64 16.123 -10.940 -4.214 495 HA PRO 65 HA PRO 65 13.292 -5.956 -7.408 496 HB2 PRO 65 HB2 PRO 65 16.208 -5.386 -7.668 497 HB3 PRO 65 HB1 PRO 65 14.885 -4.293 -7.239 498 HG2 PRO 65 HG2 PRO 65 16.600 -5.131 -5.374 499 HG3 PRO 65 HG1 PRO 65 14.876 -4.947 -5.011 500 HD2 PRO 65 HD2 PRO 65 16.424 -7.446 -5.653 501 HD3 PRO 65 HD1 PRO 65 15.195 -7.169 -4.367 502 HA PRO 66 HA PRO 66 15.712 -8.000 -11.136 503 HB2 PRO 66 HB2 PRO 66 17.397 -10.041 -10.592 504 HB3 PRO 66 HB1 PRO 66 17.973 -8.380 -10.424 505 HG2 PRO 66 HG2 PRO 66 16.862 -10.124 -8.308 506 HG3 PRO 66 HG1 PRO 66 18.429 -9.278 -8.320 507 HD2 PRO 66 HD2 PRO 66 16.347 -8.387 -7.137 508 HD3 PRO 66 HD1 PRO 66 17.411 -7.233 -8.008 509 HA PRO 67 HA PRO 67 12.554 -11.192 -10.992 510 HB2 PRO 67 HB2 PRO 67 13.155 -12.538 -13.333 511 HB3 PRO 67 HB1 PRO 67 12.207 -11.049 -13.238 512 HG2 PRO 67 HG2 PRO 67 15.082 -11.419 -13.938 513 HG3 PRO 67 HG1 PRO 67 13.895 -10.297 -14.620 514 HD2 PRO 67 HD2 PRO 67 15.773 -9.522 -12.837 515 HD3 PRO 67 HD1 PRO 67 14.176 -8.765 -12.904 516 H SER 68 HN SER 68 15.754 -12.401 -12.036 517 HA SER 68 HA SER 68 15.268 -14.808 -10.424 518 HB2 SER 68 HB2 SER 68 16.956 -15.833 -12.024 519 HB3 SER 68 HB1 SER 68 15.357 -15.479 -12.681 520 HG SER 68 HG SER 68 16.584 -14.586 -14.134 521 H ALA 69 HN ALA 69 17.012 -12.040 -10.685 522 HA ALA 69 HA ALA 69 18.848 -11.153 -9.765 523 HB1 ALA 69 HB1 ALA 69 17.782 -11.789 -7.702 524 HB2 ALA 69 HB2 ALA 69 19.527 -11.870 -7.572 525 HB3 ALA 69 HB3 ALA 69 18.581 -13.376 -7.718 526 H GLN 70 HN GLN 70 19.198 -12.610 -11.888 527 HA GLN 70 HA GLN 70 21.217 -14.461 -11.949 528 HB2 GLN 70 HB2 GLN 70 19.994 -13.850 -13.934 529 HB3 GLN 70 HB1 GLN 70 20.636 -12.224 -13.893 530 HG2 GLN 70 HG2 GLN 70 22.849 -13.051 -14.407 531 HG3 GLN 70 HG1 GLN 70 22.260 -14.715 -14.358 532 HE21 GLN 70 HE21 GLN 70 23.480 -13.173 -16.534 533 HE22 GLN 70 HE22 GLN 70 22.337 -13.234 -17.828 534 HA PRO 71 HA PRO 71 24.588 -11.263 -11.269 535 HB2 PRO 71 HB2 PRO 71 24.080 -8.683 -10.852 536 HB3 PRO 71 HB1 PRO 71 24.310 -9.313 -12.491 537 HG2 PRO 71 HG2 PRO 71 21.782 -8.594 -11.073 538 HG3 PRO 71 HG1 PRO 71 22.201 -8.377 -12.780 539 HD2 PRO 71 HD2 PRO 71 20.628 -10.425 -11.784 540 HD3 PRO 71 HD1 PRO 71 21.519 -10.481 -13.318 541 H TRP 72 HN TRP 72 24.526 -12.344 -9.403 542 HA TRP 72 HA TRP 72 22.806 -11.441 -7.263 543 HB2 TRP 72 HB2 TRP 72 22.985 -13.855 -7.631 544 HB3 TRP 72 HB1 TRP 72 24.716 -13.785 -7.330 545 HD1 TRP 72 HD1 TRP 72 25.535 -13.469 -4.822 546 HE1 TRP 72 HE1 TRP 72 24.388 -13.737 -2.574 547 HE3 TRP 72 HE3 TRP 72 20.688 -13.647 -6.441 548 HZ2 TRP 72 HZ2 TRP 72 21.729 -14.012 -1.576 549 HZ3 TRP 72 HZ3 TRP 72 18.901 -13.914 -4.766 550 HH2 TRP 72 HH2 TRP 72 19.413 -14.099 -2.392 551 H LYS 73 HN LYS 73 23.414 -10.457 -5.493 552 HA LYS 73 HA LYS 73 26.254 -9.851 -5.186 553 HB2 LYS 73 HB2 LYS 73 25.138 -7.895 -6.087 554 HB3 LYS 73 HB1 LYS 73 23.896 -7.995 -4.857 555 HG2 LYS 73 HG2 LYS 73 25.450 -6.185 -4.407 556 HG3 LYS 73 HG1 LYS 73 25.521 -7.413 -3.146 557 HD2 LYS 73 HD2 LYS 73 27.542 -8.324 -4.113 558 HD3 LYS 73 HD1 LYS 73 27.450 -7.176 -5.448 559 HE2 LYS 73 HE2 LYS 73 27.721 -5.322 -3.897 560 HE3 LYS 73 HE1 LYS 73 27.718 -6.443 -2.540 561 HZ1 LYS 73 HZ1 LYS 73 29.962 -5.725 -3.223 562 HZ2 LYS 73 HZ2 LYS 73 29.745 -6.491 -4.709 563 HZ3 LYS 73 HZ3 LYS 73 29.756 -7.388 -3.294 564 H GLY 74 HN GLY 74 23.173 -10.241 -3.554 565 HA2 GLY 74 HA2 GLY 74 22.982 -11.400 -1.492 566 HA3 GLY 74 HA1 GLY 74 24.662 -10.987 -1.145 567 H ASP 75 HN ASP 75 21.739 -9.206 -2.039 568 HA ASP 75 HA ASP 75 22.464 -7.130 -0.186 569 HB2 ASP 75 HB2 ASP 75 20.623 -5.843 -1.268 570 HB3 ASP 75 HB1 ASP 75 21.849 -6.368 -2.407 571 HA PRO 76 HA PRO 76 19.876 -8.650 2.945 572 HB2 PRO 76 HB2 PRO 76 19.527 -6.432 4.423 573 HB3 PRO 76 HB1 PRO 76 21.096 -7.246 4.296 574 HG2 PRO 76 HG2 PRO 76 20.097 -4.842 2.816 575 HG3 PRO 76 HG1 PRO 76 21.659 -5.082 3.624 576 HD2 PRO 76 HD2 PRO 76 21.376 -5.385 0.960 577 HD3 PRO 76 HD1 PRO 76 22.493 -6.381 1.918 578 H VAL 77 HN VAL 77 17.850 -8.379 4.006 579 HA VAL 77 HA VAL 77 15.678 -7.883 2.342 580 HB VAL 77 HB VAL 77 15.293 -9.423 4.122 581 HG11 VAL 77 HG11 VAL 77 17.008 -8.634 5.677 582 HG12 VAL 77 HG12 VAL 77 15.465 -8.848 6.495 583 HG13 VAL 77 HG13 VAL 77 16.015 -7.230 6.063 584 HG21 VAL 77 HG21 VAL 77 13.360 -7.962 3.611 585 HG22 VAL 77 HG22 VAL 77 13.877 -6.915 4.950 586 HG23 VAL 77 HG23 VAL 77 13.366 -8.574 5.271 587 H GLU 78 HN GLU 78 17.303 -5.774 4.613 588 HA GLU 78 HA GLU 78 15.429 -3.690 4.625 589 HB2 GLU 78 HB2 GLU 78 18.430 -3.617 4.992 590 HB3 GLU 78 HB1 GLU 78 17.369 -2.253 5.276 591 HG2 GLU 78 HG2 GLU 78 17.982 -3.286 7.372 592 HG3 GLU 78 HG1 GLU 78 16.270 -3.514 7.103 593 H GLN 79 HN GLN 79 17.543 -4.780 2.199 594 HA GLN 79 HA GLN 79 17.494 -2.280 0.706 595 HB2 GLN 79 HB2 GLN 79 19.542 -3.693 0.844 596 HB3 GLN 79 HB1 GLN 79 18.674 -4.959 -0.002 597 HG2 GLN 79 HG2 GLN 79 20.139 -3.712 -1.474 598 HG3 GLN 79 HG1 GLN 79 18.443 -3.553 -1.940 599 HE21 GLN 79 HE21 GLN 79 17.469 -1.589 -1.773 600 HE22 GLN 79 HE22 GLN 79 18.334 -0.125 -1.483 601 H LEU 80 HN LEU 80 16.202 -5.524 0.725 602 HA LEU 80 HA LEU 80 14.924 -5.543 -1.784 603 HB2 LEU 80 HB2 LEU 80 14.222 -7.073 0.720 604 HB3 LEU 80 HB1 LEU 80 13.602 -7.420 -0.878 605 HG LEU 80 HG LEU 80 16.497 -7.665 -0.034 606 HD11 LEU 80 HD11 LEU 80 14.425 -9.770 -0.616 607 HD12 LEU 80 HD12 LEU 80 15.066 -9.372 0.979 608 HD13 LEU 80 HD13 LEU 80 16.122 -10.065 -0.252 609 HD21 LEU 80 HD21 LEU 80 16.792 -8.765 -2.209 610 HD22 LEU 80 HD22 LEU 80 16.281 -7.091 -2.398 611 HD23 LEU 80 HD23 LEU 80 15.116 -8.401 -2.610 612 H VAL 81 HN VAL 81 13.853 -4.487 1.394 613 HA VAL 81 HA VAL 81 11.196 -3.943 0.543 614 HB VAL 81 HB VAL 81 12.734 -2.816 2.917 615 HG11 VAL 81 HG11 VAL 81 9.771 -2.720 2.312 616 HG12 VAL 81 HG12 VAL 81 10.874 -1.342 2.301 617 HG13 VAL 81 HG13 VAL 81 10.527 -2.180 3.812 618 HG21 VAL 81 HG21 VAL 81 10.719 -5.044 2.714 619 HG22 VAL 81 HG22 VAL 81 11.384 -4.425 4.218 620 HG23 VAL 81 HG23 VAL 81 12.440 -5.226 3.049 621 H ARG 82 HN ARG 82 10.680 -2.526 -0.840 622 HA ARG 82 HA ARG 82 12.518 -0.423 -1.610 623 HB2 ARG 82 HB2 ARG 82 9.916 -1.380 -2.803 624 HB3 ARG 82 HB1 ARG 82 10.937 -0.132 -3.500 625 HG2 ARG 82 HG2 ARG 82 11.891 -2.948 -3.005 626 HG3 ARG 82 HG1 ARG 82 11.153 -2.435 -4.519 627 HD2 ARG 82 HD2 ARG 82 13.582 -2.398 -4.699 628 HD3 ARG 82 HD1 ARG 82 12.921 -0.775 -4.821 629 HE ARG 82 HE ARG 82 13.872 -1.632 -2.211 630 HH11 ARG 82 HH11 ARG 82 14.679 0.081 -5.212 631 HH12 ARG 82 HH12 ARG 82 15.844 1.087 -4.473 632 HH21 ARG 82 HH21 ARG 82 15.451 -0.114 -1.193 633 HH22 ARG 82 HH22 ARG 82 16.224 1.022 -2.202 634 H HIS 83 HN HIS 83 11.970 1.739 -1.611 635 HA HIS 83 HA HIS 83 9.671 2.426 0.070 636 HB2 HIS 83 HB2 HIS 83 12.486 3.510 0.299 637 HB3 HIS 83 HB1 HIS 83 11.091 4.256 1.065 638 HD1 HIS 83 HD1 HIS 83 13.422 1.302 1.374 639 HD2 HIS 83 HD2 HIS 83 10.104 2.914 3.291 640 HE1 HIS 83 HE1 HIS 83 13.264 0.140 3.589 641 H PHE 84 HN PHE 84 8.401 3.834 -0.807 642 HA PHE 84 HA PHE 84 9.408 5.699 -2.854 643 HB2 PHE 84 HB2 PHE 84 6.813 4.125 -2.966 644 HB3 PHE 84 HB1 PHE 84 7.299 5.366 -4.102 645 HD1 PHE 84 HD1 PHE 84 7.840 1.921 -2.984 646 HD2 PHE 84 HD2 PHE 84 8.927 4.905 -5.808 647 HE1 PHE 84 HE1 PHE 84 8.887 0.199 -4.392 648 HE2 PHE 84 HE2 PHE 84 9.976 3.197 -7.216 649 HZ PHE 84 HZ PHE 84 9.960 0.835 -6.513 650 H LEU 85 HN LEU 85 8.675 7.787 -2.442 651 HA LEU 85 HA LEU 85 6.677 7.903 -0.367 652 HB2 LEU 85 HB2 LEU 85 7.208 10.321 -0.082 653 HB3 LEU 85 HB1 LEU 85 8.473 9.213 0.373 654 HG LEU 85 HG LEU 85 8.569 10.541 -2.314 655 HD11 LEU 85 HD11 LEU 85 9.493 11.677 0.323 656 HD12 LEU 85 HD12 LEU 85 8.156 12.303 -0.647 657 HD13 LEU 85 HD13 LEU 85 9.806 12.370 -1.272 658 HD21 LEU 85 HD21 LEU 85 10.628 9.665 -0.316 659 HD22 LEU 85 HD22 LEU 85 10.955 10.317 -1.932 660 HD23 LEU 85 HD23 LEU 85 10.154 8.745 -1.746 661 H ILE 86 HN ILE 86 4.928 8.969 -0.415 662 HA ILE 86 HA ILE 86 3.785 9.527 -3.048 663 HB ILE 86 HB ILE 86 2.505 8.758 -0.420 664 HG12 ILE 86 HG12 ILE 86 2.819 7.151 -2.959 665 HG13 ILE 86 HG11 ILE 86 3.789 6.933 -1.510 666 HG21 ILE 86 HG21 ILE 86 0.445 8.542 -1.724 667 HG22 ILE 86 HG22 ILE 86 1.287 9.186 -3.140 668 HG23 ILE 86 HG23 ILE 86 1.063 10.189 -1.708 669 HD11 ILE 86 HD11 ILE 86 0.822 6.525 -1.740 670 HD12 ILE 86 HD12 ILE 86 1.786 6.291 -0.278 671 HD13 ILE 86 HD13 ILE 86 2.048 5.257 -1.682 672 H GLU 87 HN GLU 87 3.349 11.572 -3.396 673 HA GLU 87 HA GLU 87 3.473 13.499 -1.186 674 HB2 GLU 87 HB2 GLU 87 3.803 13.930 -4.148 675 HB3 GLU 87 HB1 GLU 87 4.166 15.069 -2.856 676 HG2 GLU 87 HG2 GLU 87 6.002 13.739 -2.114 677 HG3 GLU 87 HG1 GLU 87 5.573 12.444 -3.232 678 H THR 88 HN THR 88 1.700 14.777 -0.887 679 HA THR 88 HA THR 88 -0.405 14.515 -2.879 680 HB THR 88 HB THR 88 -1.266 13.424 -0.958 681 HG1 THR 88 HG1 THR 88 -3.074 14.361 -0.976 682 HG21 THR 88 HG21 THR 88 0.290 14.144 0.698 683 HG22 THR 88 HG22 THR 88 -1.344 14.441 1.295 684 HG23 THR 88 HG23 THR 88 -0.356 15.787 0.692 685 H GLY 89 HN GLY 89 -1.029 16.227 -3.857 686 HA2 GLY 89 HA2 GLY 89 -0.409 18.859 -2.702 687 HA3 GLY 89 HA1 GLY 89 0.135 18.458 -4.325 688 HA PRO 90 HA PRO 90 -4.063 20.440 -4.674 689 HB2 PRO 90 HB2 PRO 90 -3.408 21.892 -6.911 690 HB3 PRO 90 HB1 PRO 90 -3.226 22.490 -5.260 691 HG2 PRO 90 HG2 PRO 90 -1.176 21.314 -7.089 692 HG3 PRO 90 HG1 PRO 90 -1.028 22.690 -5.983 693 HD2 PRO 90 HD2 PRO 90 -0.040 20.262 -5.387 694 HD3 PRO 90 HD1 PRO 90 -0.710 21.331 -4.140 695 H LYS 91 HN LYS 91 -1.951 18.980 -7.164 696 HA LYS 91 HA LYS 91 -4.068 18.347 -8.892 697 HB2 LYS 91 HB2 LYS 91 -1.250 17.378 -8.680 698 HB3 LYS 91 HB1 LYS 91 -2.379 16.563 -9.747 699 HG2 LYS 91 HG2 LYS 91 -1.310 18.072 -11.141 700 HG3 LYS 91 HG1 LYS 91 -2.828 18.864 -10.696 701 HD2 LYS 91 HD2 LYS 91 -1.640 20.228 -9.069 702 HD3 LYS 91 HD1 LYS 91 -0.118 19.439 -9.528 703 HE2 LYS 91 HE2 LYS 91 -0.542 20.166 -11.882 704 HE3 LYS 91 HE1 LYS 91 -1.925 21.071 -11.274 705 HZ1 LYS 91 HZ1 LYS 91 0.052 22.440 -11.586 706 HZ2 LYS 91 HZ2 LYS 91 0.889 21.538 -10.429 707 HZ3 LYS 91 HZ3 LYS 91 -0.463 22.451 -9.986 708 H GLY 92 HN GLY 92 -2.952 16.906 -5.985 709 HA2 GLY 92 HA2 GLY 92 -4.741 15.379 -5.074 710 HA3 GLY 92 HA1 GLY 92 -4.442 14.429 -6.528 711 H VAL 93 HN VAL 93 -3.937 12.759 -5.101 712 HA VAL 93 HA VAL 93 -1.326 13.047 -3.837 713 HB VAL 93 HB VAL 93 -3.198 12.303 -2.385 714 HG11 VAL 93 HG11 VAL 93 -3.287 9.852 -4.110 715 HG12 VAL 93 HG12 VAL 93 -4.550 11.063 -3.903 716 HG13 VAL 93 HG13 VAL 93 -4.090 10.028 -2.550 717 HG21 VAL 93 HG21 VAL 93 -1.091 10.218 -2.765 718 HG22 VAL 93 HG22 VAL 93 -2.059 10.458 -1.303 719 HG23 VAL 93 HG23 VAL 93 -0.920 11.697 -1.833 720 H LYS 94 HN LYS 94 0.392 12.015 -4.575 721 HA LYS 94 HA LYS 94 0.159 9.980 -6.600 722 HB2 LYS 94 HB2 LYS 94 1.670 11.523 -8.083 723 HB3 LYS 94 HB1 LYS 94 -0.077 11.654 -8.131 724 HG2 LYS 94 HG2 LYS 94 0.653 13.867 -8.053 725 HG3 LYS 94 HG1 LYS 94 0.152 13.519 -6.411 726 HD2 LYS 94 HD2 LYS 94 2.111 14.806 -6.350 727 HD3 LYS 94 HD1 LYS 94 2.575 13.159 -5.872 728 HE2 LYS 94 HE2 LYS 94 3.367 12.773 -8.174 729 HE3 LYS 94 HE1 LYS 94 2.897 14.398 -8.593 730 HZ1 LYS 94 HZ1 LYS 94 4.473 15.308 -7.038 731 HZ2 LYS 94 HZ2 LYS 94 5.254 14.353 -8.142 732 HZ3 LYS 94 HZ3 LYS 94 5.046 13.797 -6.571 733 H ILE 95 HN ILE 95 2.386 9.392 -7.420 734 HA ILE 95 HA ILE 95 4.029 9.116 -5.053 735 HB ILE 95 HB ILE 95 4.034 7.565 -7.674 736 HG12 ILE 95 HG12 ILE 95 3.069 6.818 -4.909 737 HG13 ILE 95 HG11 ILE 95 2.039 7.227 -6.270 738 HG21 ILE 95 HG21 ILE 95 5.607 7.026 -5.144 739 HG22 ILE 95 HG22 ILE 95 6.275 7.579 -6.681 740 HG23 ILE 95 HG23 ILE 95 5.540 5.981 -6.566 741 HD11 ILE 95 HD11 ILE 95 2.837 5.237 -7.447 742 HD12 ILE 95 HD12 ILE 95 2.103 4.840 -5.892 743 HD13 ILE 95 HD13 ILE 95 3.859 4.839 -6.065 744 H LYS 96 HN LYS 96 6.141 9.645 -4.968 745 HA LYS 96 HA LYS 96 7.199 11.899 -5.990 746 HB2 LYS 96 HB2 LYS 96 8.119 10.702 -4.148 747 HB3 LYS 96 HB1 LYS 96 8.601 9.363 -5.160 748 HG2 LYS 96 HG2 LYS 96 10.604 10.468 -4.646 749 HG3 LYS 96 HG1 LYS 96 10.225 11.020 -6.271 750 HD2 LYS 96 HD2 LYS 96 9.451 12.621 -3.835 751 HD3 LYS 96 HD1 LYS 96 11.062 12.735 -4.526 752 HE2 LYS 96 HE2 LYS 96 10.084 13.477 -6.654 753 HE3 LYS 96 HE1 LYS 96 8.473 13.316 -5.943 754 HZ1 LYS 96 HZ1 LYS 96 9.369 15.621 -5.937 755 HZ2 LYS 96 HZ2 LYS 96 10.523 15.117 -4.796 756 HZ3 LYS 96 HZ3 LYS 96 8.875 15.011 -4.457 757 H GLY 97 HN GLY 97 7.686 8.653 -7.357 758 HA2 GLY 97 HA2 GLY 97 8.630 9.944 -9.819 759 HA3 GLY 97 HA1 GLY 97 9.410 8.502 -9.173 760 H CYS 98 HN CYS 98 6.159 9.632 -10.001 761 HA CYS 98 HA CYS 98 5.454 6.936 -10.744 762 HB2 CYS 98 HB2 CYS 98 3.205 7.963 -11.237 763 HB3 CYS 98 HB1 CYS 98 3.744 8.109 -9.576 764 HG CYS 98 HG CYS 98 4.693 10.743 -11.289 765 HA PRO 99 HA PRO 99 6.765 7.741 -14.922 766 HB2 PRO 99 HB2 PRO 99 6.368 5.291 -15.921 767 HB3 PRO 99 HB1 PRO 99 7.645 5.604 -14.739 768 HG2 PRO 99 HG2 PRO 99 4.926 4.425 -14.322 769 HG3 PRO 99 HG1 PRO 99 6.482 3.893 -13.661 770 HD2 PRO 99 HD2 PRO 99 4.682 5.415 -12.268 771 HD3 PRO 99 HD1 PRO 99 6.432 5.450 -11.973 772 H SER 100 HN SER 100 3.642 7.742 -13.969 773 HA SER 100 HA SER 100 2.638 8.369 -16.525 774 HB2 SER 100 HB2 SER 100 1.426 6.103 -14.890 775 HB3 SER 100 HB1 SER 100 0.730 6.784 -16.357 776 HG SER 100 HG SER 100 3.292 6.063 -16.768 777 H GLU 101 HN GLU 101 -0.040 8.356 -15.537 778 HA GLU 101 HA GLU 101 0.218 10.538 -13.581 779 HB2 GLU 101 HB2 GLU 101 -0.569 11.283 -15.747 780 HB3 GLU 101 HB1 GLU 101 -1.838 10.072 -15.729 781 HG2 GLU 101 HG2 GLU 101 -2.825 11.209 -13.767 782 HG3 GLU 101 HG1 GLU 101 -1.594 12.460 -13.950 783 HA PRO 102 HA PRO 102 -2.648 7.957 -11.176 784 HB2 PRO 102 HB2 PRO 102 -1.457 8.678 -8.757 785 HB3 PRO 102 HB1 PRO 102 -1.143 7.193 -9.646 786 HG2 PRO 102 HG2 PRO 102 0.658 9.307 -9.188 787 HG3 PRO 102 HG1 PRO 102 0.911 7.915 -10.246 788 HD2 PRO 102 HD2 PRO 102 0.104 10.696 -10.948 789 HD3 PRO 102 HD1 PRO 102 0.982 9.495 -11.921 790 H TYR 103 HN TYR 103 -1.564 10.426 -9.283 791 HA TYR 103 HA TYR 103 -2.552 12.068 -7.997 792 HB2 TYR 103 HB2 TYR 103 -3.664 12.898 -10.672 793 HB3 TYR 103 HB1 TYR 103 -3.427 13.917 -9.252 794 HD1 TYR 103 HD1 TYR 103 -1.828 12.231 -12.030 795 HD2 TYR 103 HD2 TYR 103 -1.106 14.771 -8.702 796 HE1 TYR 103 HE1 TYR 103 0.376 12.840 -12.958 797 HE2 TYR 103 HE2 TYR 103 1.049 15.374 -9.615 798 HH TYR 103 HH TYR 103 1.955 14.660 -12.807 799 H PHE 104 HN PHE 104 -3.917 10.730 -6.796 800 HA PHE 104 HA PHE 104 -6.746 10.709 -7.621 801 HB2 PHE 104 HB2 PHE 104 -5.296 8.918 -5.655 802 HB3 PHE 104 HB1 PHE 104 -7.020 8.854 -5.987 803 HD1 PHE 104 HD2 PHE 104 -7.849 7.932 -8.069 804 HD2 PHE 104 HD1 PHE 104 -3.685 8.103 -7.244 805 HE1 PHE 104 HE2 PHE 104 -7.424 6.359 -9.910 806 HE2 PHE 104 HE1 PHE 104 -3.242 6.538 -9.072 807 HZ PHE 104 HZ PHE 104 -5.123 5.655 -10.418 808 H GLY 105 HN GLY 105 -8.170 10.489 -5.410 809 HA2 GLY 105 HA2 GLY 105 -7.661 12.988 -4.049 810 HA3 GLY 105 HA1 GLY 105 -9.087 11.979 -3.887 811 H SER 106 HN SER 106 -7.624 9.552 -3.215 812 HA SER 106 HA SER 106 -6.573 10.291 -0.578 813 HB2 SER 106 HB2 SER 106 -8.584 8.102 -1.129 814 HB3 SER 106 HB1 SER 106 -7.925 8.544 0.447 815 HG SER 106 HG SER 106 -8.924 10.538 0.261 816 H LEU 107 HN LEU 107 -5.263 8.608 0.393 817 HA LEU 107 HA LEU 107 -3.397 7.383 -1.254 818 HB2 LEU 107 HB2 LEU 107 -4.198 6.784 1.573 819 HB3 LEU 107 HB1 LEU 107 -2.886 5.938 0.775 820 HG LEU 107 HG LEU 107 -2.972 8.913 1.289 821 HD11 LEU 107 HD11 LEU 107 -1.290 8.450 2.992 822 HD12 LEU 107 HD12 LEU 107 -1.455 6.721 2.689 823 HD13 LEU 107 HD13 LEU 107 -2.808 7.629 3.364 824 HD21 LEU 107 HD21 LEU 107 -1.644 8.313 -0.664 825 HD22 LEU 107 HD22 LEU 107 -0.781 7.105 0.288 826 HD23 LEU 107 HD23 LEU 107 -0.607 8.814 0.673 827 H SER 108 HN SER 108 -6.241 5.929 0.304 828 HA SER 108 HA SER 108 -5.880 3.299 -0.382 829 HB2 SER 108 HB2 SER 108 -8.381 3.224 -0.253 830 HB3 SER 108 HB1 SER 108 -7.573 3.942 1.146 831 HG SER 108 HG SER 108 -9.418 4.990 -0.348 832 H ALA 109 HN ALA 109 -6.996 5.936 -2.346 833 HA ALA 109 HA ALA 109 -8.182 4.412 -4.410 834 HB1 ALA 109 HB1 ALA 109 -8.739 6.757 -4.031 835 HB2 ALA 109 HB2 ALA 109 -8.180 6.499 -5.689 836 HB3 ALA 109 HB3 ALA 109 -7.104 7.222 -4.493 837 H LEU 110 HN LEU 110 -4.915 5.705 -3.934 838 HA LEU 110 HA LEU 110 -4.131 4.644 -6.487 839 HB2 LEU 110 HB2 LEU 110 -1.818 5.385 -5.927 840 HB3 LEU 110 HB1 LEU 110 -2.999 6.663 -5.889 841 HG LEU 110 HG LEU 110 -2.967 6.393 -3.336 842 HD11 LEU 110 HD11 LEU 110 -0.958 5.481 -2.347 843 HD12 LEU 110 HD12 LEU 110 -0.397 4.937 -3.929 844 HD13 LEU 110 HD13 LEU 110 -1.851 4.233 -3.213 845 HD21 LEU 110 HD21 LEU 110 -1.016 7.797 -3.120 846 HD22 LEU 110 HD22 LEU 110 -1.975 8.268 -4.526 847 HD23 LEU 110 HD23 LEU 110 -0.485 7.343 -4.738 848 H VAL 111 HN VAL 111 -4.080 3.655 -3.229 849 HA VAL 111 HA VAL 111 -2.293 1.500 -3.351 850 HB VAL 111 HB VAL 111 -4.694 2.076 -1.609 851 HG11 VAL 111 HG11 VAL 111 -2.747 -0.201 -1.309 852 HG12 VAL 111 HG12 VAL 111 -4.462 -0.311 -1.722 853 HG13 VAL 111 HG13 VAL 111 -3.974 0.274 -0.126 854 HG21 VAL 111 HG21 VAL 111 -1.731 2.131 -1.081 855 HG22 VAL 111 HG22 VAL 111 -2.998 2.474 0.104 856 HG23 VAL 111 HG23 VAL 111 -2.794 3.525 -1.296 857 H SER 112 HN SER 112 -5.803 1.555 -3.602 858 HA SER 112 HA SER 112 -6.105 -1.156 -4.249 859 HB2 SER 112 HB2 SER 112 -7.959 1.174 -4.634 860 HB3 SER 112 HB1 SER 112 -8.440 -0.542 -4.612 861 HG SER 112 HG SER 112 -7.682 1.187 -2.571 862 H GLN 113 HN GLN 113 -5.294 1.586 -6.133 863 HA GLN 113 HA GLN 113 -6.165 0.501 -8.643 864 HB2 GLN 113 HB2 GLN 113 -5.970 2.930 -8.293 865 HB3 GLN 113 HB1 GLN 113 -4.237 2.756 -8.066 866 HG2 GLN 113 HG2 GLN 113 -4.655 3.580 -10.281 867 HG3 GLN 113 HG1 GLN 113 -4.049 1.933 -10.390 868 HE21 GLN 113 HE21 GLN 113 -5.651 3.525 -12.277 869 HE22 GLN 113 HE22 GLN 113 -7.079 2.614 -12.566 870 H HIS 114 HN HIS 114 -3.147 0.624 -6.815 871 HA HIS 114 HA HIS 114 -1.653 -0.437 -9.030 872 HB2 HIS 114 HB2 HIS 114 -0.824 0.405 -6.284 873 HB3 HIS 114 HB1 HIS 114 0.279 -0.462 -7.347 874 HD1 HIS 114 HD1 HIS 114 -1.364 2.856 -6.889 875 HD2 HIS 114 HD2 HIS 114 1.230 0.984 -9.517 876 HE1 HIS 114 HE1 HIS 114 -0.320 4.707 -8.289 877 H SER 115 HN SER 115 -3.632 -1.992 -6.992 878 HA SER 115 HA SER 115 -2.037 -4.370 -6.783 879 HB2 SER 115 HB2 SER 115 -4.307 -5.283 -6.048 880 HB3 SER 115 HB1 SER 115 -3.611 -4.015 -5.037 881 HG SER 115 HG SER 115 -5.878 -3.742 -5.638 882 H ILE 116 HN ILE 116 -4.625 -3.015 -8.664 883 HA ILE 116 HA ILE 116 -4.918 -5.297 -10.420 884 HB ILE 116 HB ILE 116 -6.058 -2.501 -10.700 885 HG12 ILE 116 HG12 ILE 116 -7.338 -4.972 -9.501 886 HG13 ILE 116 HG11 ILE 116 -6.781 -3.569 -8.599 887 HG21 ILE 116 HG21 ILE 116 -7.704 -3.556 -12.188 888 HG22 ILE 116 HG22 ILE 116 -6.861 -5.097 -12.018 889 HG23 ILE 116 HG23 ILE 116 -6.057 -3.731 -12.794 890 HD11 ILE 116 HD11 ILE 116 -9.200 -3.534 -8.906 891 HD12 ILE 116 HD12 ILE 116 -8.981 -3.576 -10.656 892 HD13 ILE 116 HD13 ILE 116 -8.435 -2.178 -9.733 893 H SER 117 HN SER 117 -3.754 -1.962 -10.624 894 HA SER 117 HA SER 117 -2.286 -2.676 -13.046 895 HB2 SER 117 HB2 SER 117 -3.523 -0.001 -12.341 896 HB3 SER 117 HB1 SER 117 -2.681 -0.399 -13.839 897 HG SER 117 HG SER 117 -4.520 -2.220 -13.538 898 HA PRO 118 HA PRO 118 0.833 -1.338 -9.945 899 HB2 PRO 118 HB2 PRO 118 2.639 -3.198 -11.271 900 HB3 PRO 118 HB1 PRO 118 2.033 -3.255 -9.617 901 HG2 PRO 118 HG2 PRO 118 1.289 -5.067 -11.502 902 HG3 PRO 118 HG1 PRO 118 0.221 -4.551 -10.186 903 HD2 PRO 118 HD2 PRO 118 0.273 -3.613 -13.037 904 HD3 PRO 118 HD1 PRO 118 -1.117 -4.074 -12.024 905 H ILE 119 HN ILE 119 0.534 0.511 -11.414 906 HA ILE 119 HA ILE 119 2.112 0.889 -13.725 907 HB ILE 119 HB ILE 119 0.927 2.979 -11.879 908 HG12 ILE 119 HG12 ILE 119 -0.192 1.777 -14.427 909 HG13 ILE 119 HG11 ILE 119 -0.750 1.401 -12.803 910 HG21 ILE 119 HG21 ILE 119 2.656 3.923 -13.313 911 HG22 ILE 119 HG22 ILE 119 1.053 4.474 -13.802 912 HG23 ILE 119 HG23 ILE 119 1.875 3.226 -14.736 913 HD11 ILE 119 HD11 ILE 119 -2.246 2.956 -13.918 914 HD12 ILE 119 HD12 ILE 119 -0.919 4.088 -14.161 915 HD13 ILE 119 HD13 ILE 119 -1.481 3.726 -12.528 916 H SER 120 HN SER 120 2.488 2.324 -10.494 917 HA SER 120 HA SER 120 5.130 3.230 -11.179 918 HB2 SER 120 HB2 SER 120 3.684 3.432 -8.541 919 HB3 SER 120 HB1 SER 120 5.070 4.386 -9.072 920 HG SER 120 HG SER 120 2.393 4.503 -9.880 921 H LEU 121 HN LEU 121 3.745 0.966 -8.774 922 HA LEU 121 HA LEU 121 6.297 0.272 -7.752 923 HB2 LEU 121 HB2 LEU 121 3.622 -1.075 -7.417 924 HB3 LEU 121 HB1 LEU 121 5.069 -1.519 -6.557 925 HG LEU 121 HG LEU 121 3.837 -0.349 -5.042 926 HD11 LEU 121 HD11 LEU 121 5.733 1.670 -6.149 927 HD12 LEU 121 HD12 LEU 121 6.072 0.395 -4.976 928 HD13 LEU 121 HD13 LEU 121 4.988 1.718 -4.551 929 HD21 LEU 121 HD21 LEU 121 2.769 1.840 -5.409 930 HD22 LEU 121 HD22 LEU 121 2.107 0.537 -6.385 931 HD23 LEU 121 HD23 LEU 121 3.190 1.727 -7.124 932 HA PRO 122 HA PRO 122 7.430 -2.844 -10.748 933 HB2 PRO 122 HB2 PRO 122 9.167 -4.278 -9.191 934 HB3 PRO 122 HB1 PRO 122 9.586 -2.730 -9.932 935 HG2 PRO 122 HG2 PRO 122 8.689 -3.310 -7.132 936 HG3 PRO 122 HG1 PRO 122 9.984 -2.237 -7.686 937 HD2 PRO 122 HD2 PRO 122 7.590 -1.290 -6.944 938 HD3 PRO 122 HD1 PRO 122 8.507 -0.548 -8.269 939 H CYS 123 HN CYS 123 6.012 -3.513 -7.720 940 HA CYS 123 HA CYS 123 5.055 -6.113 -8.639 941 HB2 CYS 123 HB2 CYS 123 6.703 -6.495 -6.853 942 HB3 CYS 123 HB1 CYS 123 5.909 -5.305 -5.837 943 HG CYS 123 HG CYS 123 3.596 -6.813 -5.471 944 H CYS 124 HN CYS 124 2.887 -6.526 -7.855 945 HA CYS 124 HA CYS 124 1.255 -4.221 -7.770 946 HB2 CYS 124 HB2 CYS 124 -0.501 -6.033 -7.327 947 HB3 CYS 124 HB1 CYS 124 0.371 -6.119 -8.857 948 HG CYS 124 HG CYS 124 -0.130 -8.576 -7.059 949 H LEU 125 HN LEU 125 0.107 -3.418 -6.035 950 HA LEU 125 HA LEU 125 1.245 -3.885 -3.454 951 HB2 LEU 125 HB2 LEU 125 -1.085 -2.166 -4.315 952 HB3 LEU 125 HB1 LEU 125 -0.500 -2.254 -2.668 953 HG LEU 125 HG LEU 125 1.005 -1.167 -5.045 954 HD11 LEU 125 HD11 LEU 125 -0.787 0.281 -4.224 955 HD12 LEU 125 HD12 LEU 125 0.803 0.961 -3.881 956 HD13 LEU 125 HD13 LEU 125 -0.118 0.182 -2.594 957 HD21 LEU 125 HD21 LEU 125 1.822 -1.438 -2.152 958 HD22 LEU 125 HD22 LEU 125 2.677 -0.481 -3.354 959 HD23 LEU 125 HD23 LEU 125 2.563 -2.231 -3.549 960 H ARG 126 HN ARG 126 0.620 -5.789 -2.472 961 HA ARG 126 HA ARG 126 -2.089 -6.649 -2.951 962 HB2 ARG 126 HB2 ARG 126 -0.369 -8.384 -3.148 963 HB3 ARG 126 HB1 ARG 126 0.127 -8.102 -1.484 964 HG2 ARG 126 HG2 ARG 126 -1.274 -10.099 -1.674 965 HG3 ARG 126 HG1 ARG 126 -2.052 -8.859 -0.685 966 HD2 ARG 126 HD2 ARG 126 -3.347 -8.164 -2.711 967 HD3 ARG 126 HD1 ARG 126 -2.633 -9.538 -3.562 968 HE ARG 126 HE ARG 126 -3.748 -10.690 -1.421 969 HH11 ARG 126 HH11 ARG 126 -5.032 -8.425 -3.809 970 HH12 ARG 126 HH12 ARG 126 -6.647 -8.898 -3.651 971 HH21 ARG 126 HH21 ARG 126 -5.925 -11.421 -1.212 972 HH22 ARG 126 HH22 ARG 126 -7.174 -10.735 -2.155 973 H ILE 127 HN ILE 127 -3.496 -5.676 -1.800 974 HA ILE 127 HA ILE 127 -2.983 -4.897 0.952 975 HB ILE 127 HB ILE 127 -5.653 -4.684 -0.384 976 HG12 ILE 127 HG12 ILE 127 -4.879 -2.204 -0.891 977 HG13 ILE 127 HG11 ILE 127 -3.290 -2.946 -0.992 978 HG21 ILE 127 HG21 ILE 127 -4.275 -2.980 1.673 979 HG22 ILE 127 HG22 ILE 127 -5.537 -4.184 1.943 980 HG23 ILE 127 HG23 ILE 127 -5.907 -2.705 1.050 981 HD11 ILE 127 HD11 ILE 127 -5.693 -3.692 -2.644 982 HD12 ILE 127 HD12 ILE 127 -4.083 -4.403 -2.782 983 HD13 ILE 127 HD13 ILE 127 -4.336 -2.706 -3.170 984 HA PRO 128 HA PRO 128 -5.158 -8.710 2.140 985 HB2 PRO 128 HB2 PRO 128 -5.067 -7.646 4.876 986 HB3 PRO 128 HB1 PRO 128 -4.324 -9.115 4.237 987 HG2 PRO 128 HG2 PRO 128 -2.857 -6.963 4.974 988 HG3 PRO 128 HG1 PRO 128 -2.380 -8.031 3.641 989 HD2 PRO 128 HD2 PRO 128 -3.695 -5.338 3.537 990 HD3 PRO 128 HD1 PRO 128 -2.397 -6.008 2.520 991 H SER 129 HN SER 129 -5.811 -5.514 3.123 992 HA SER 129 HA SER 129 -8.424 -5.839 4.237 993 HB2 SER 129 HB2 SER 129 -7.047 -3.352 3.337 994 HB3 SER 129 HB1 SER 129 -8.232 -3.559 4.630 995 HG SER 129 HG SER 129 -6.725 -4.861 5.722 996 H LYS 130 HN LYS 130 -7.437 -5.890 1.041 997 HA LYS 130 HA LYS 130 -10.019 -4.965 0.077 998 HB2 LYS 130 HB2 LYS 130 -8.382 -3.066 -0.184 999 HB3 LYS 130 HB1 LYS 130 -7.336 -4.138 -1.083 1000 HG2 LYS 130 HG2 LYS 130 -8.457 -2.712 -2.626 1001 HG3 LYS 130 HG1 LYS 130 -9.075 -4.349 -2.813 1002 HD2 LYS 130 HD2 LYS 130 -10.889 -2.751 -2.926 1003 HD3 LYS 130 HD1 LYS 130 -11.049 -3.738 -1.475 1004 HE2 LYS 130 HE2 LYS 130 -10.165 -1.928 -0.117 1005 HE3 LYS 130 HE1 LYS 130 -9.847 -0.965 -1.561 1006 HZ1 LYS 130 HZ1 LYS 130 -12.533 -1.818 -0.608 1007 HZ2 LYS 130 HZ2 LYS 130 -12.213 -0.851 -1.966 1008 HZ3 LYS 130 HZ3 LYS 130 -11.865 -0.281 -0.433 1009 H ASP 131 HN ASP 131 -10.608 -6.161 -1.797 1010 HA ASP 131 HA ASP 131 -9.108 -8.599 -2.059 1011 HB2 ASP 131 HB2 ASP 131 -10.972 -9.428 -3.440 1012 HB3 ASP 131 HB1 ASP 131 -11.551 -8.826 -1.896 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -29.610 -25.278 -7.776 2 H2 MET 1 HT2 MET 1 -31.049 -24.571 -7.329 3 H3 MET 1 HT3 MET 1 -30.008 -25.186 -6.148 4 HA MET 1 HA MET 1 -29.468 -22.918 -7.973 5 HB2 MET 1 HB2 MET 1 -31.080 -22.549 -6.010 6 HB3 MET 1 HB1 MET 1 -29.729 -22.899 -4.953 7 HG2 MET 1 HG2 MET 1 -29.852 -20.585 -6.897 8 HG3 MET 1 HG1 MET 1 -30.227 -20.494 -5.189 9 HE1 MET 1 HE1 MET 1 -28.543 -18.443 -4.942 10 HE2 MET 1 HE2 MET 1 -28.243 -18.557 -6.674 11 HE3 MET 1 HE3 MET 1 -26.888 -18.470 -5.551 12 H HIS 2 HN HIS 2 -28.279 -24.545 -4.992 13 HA HIS 2 HA HIS 2 -25.602 -23.684 -5.663 14 HB2 HIS 2 HB2 HIS 2 -26.716 -25.048 -3.216 15 HB3 HIS 2 HB1 HIS 2 -25.014 -24.667 -3.447 16 HD1 HIS 2 HD1 HIS 2 -28.104 -23.267 -2.130 17 HD2 HIS 2 HD2 HIS 2 -24.540 -21.826 -3.675 18 HE1 HIS 2 HE1 HIS 2 -27.924 -20.871 -1.361 19 H HIS 3 HN HIS 3 -24.681 -24.898 -7.128 20 HA HIS 3 HA HIS 3 -24.795 -27.821 -6.924 21 HB2 HIS 3 HB2 HIS 3 -23.516 -26.034 -9.018 22 HB3 HIS 3 HB1 HIS 3 -23.448 -27.790 -9.039 23 HD1 HIS 3 HD1 HIS 3 -25.302 -25.078 -10.478 24 HD2 HIS 3 HD2 HIS 3 -26.210 -28.911 -9.144 25 HE1 HIS 3 HE1 HIS 3 -27.471 -25.694 -11.555 26 H HIS 4 HN HIS 4 -22.512 -25.174 -7.046 27 HA HIS 4 HA HIS 4 -20.528 -26.870 -5.703 28 HB2 HIS 4 HB2 HIS 4 -19.787 -26.414 -7.976 29 HB3 HIS 4 HB1 HIS 4 -20.092 -24.698 -7.768 30 HD1 HIS 4 HD1 HIS 4 -17.877 -23.545 -7.707 31 HD2 HIS 4 HD2 HIS 4 -17.784 -27.167 -5.679 32 HE1 HIS 4 HE1 HIS 4 -15.566 -23.739 -6.736 33 H HIS 5 HN HIS 5 -21.634 -23.539 -6.216 34 HA HIS 5 HA HIS 5 -21.678 -21.709 -4.991 35 HB2 HIS 5 HB2 HIS 5 -22.799 -23.016 -3.200 36 HB3 HIS 5 HB1 HIS 5 -21.245 -23.545 -2.594 37 HD1 HIS 5 HD1 HIS 5 -23.754 -20.866 -2.184 38 HD2 HIS 5 HD2 HIS 5 -19.709 -21.400 -1.365 39 HE1 HIS 5 HE1 HIS 5 -23.140 -19.102 -0.525 40 H HIS 6 HN HIS 6 -19.954 -20.863 -5.981 41 HA HIS 6 HA HIS 6 -17.427 -21.131 -4.546 42 HB2 HIS 6 HB2 HIS 6 -17.312 -21.839 -6.910 43 HB3 HIS 6 HB1 HIS 6 -17.861 -20.238 -7.404 44 HD1 HIS 6 HD1 HIS 6 -16.049 -18.473 -7.696 45 HD2 HIS 6 HD2 HIS 6 -14.721 -21.852 -5.680 46 HE1 HIS 6 HE1 HIS 6 -13.575 -18.174 -7.383 47 H HIS 7 HN HIS 7 -17.089 -19.583 -3.232 48 HA HIS 7 HA HIS 7 -17.002 -17.614 -2.204 49 HB2 HIS 7 HB2 HIS 7 -15.219 -17.362 -3.903 50 HB3 HIS 7 HB1 HIS 7 -16.378 -16.641 -5.008 51 HD1 HIS 7 HD1 HIS 7 -16.293 -14.117 -5.023 52 HD2 HIS 7 HD2 HIS 7 -14.997 -15.728 -1.420 53 HE1 HIS 7 HE1 HIS 7 -15.576 -12.179 -3.612 54 H SER 8 HN SER 8 -19.341 -17.796 -1.794 55 HA SER 8 HA SER 8 -20.595 -15.392 -2.839 56 HB2 SER 8 HB2 SER 8 -22.041 -18.039 -2.512 57 HB3 SER 8 HB1 SER 8 -22.750 -16.523 -3.073 58 HG SER 8 HG SER 8 -20.507 -17.285 -4.440 59 H SER 9 HN SER 9 -19.778 -14.524 -0.887 60 HA SER 9 HA SER 9 -21.625 -14.501 1.222 61 HB2 SER 9 HB2 SER 9 -20.336 -16.579 1.824 62 HB3 SER 9 HB1 SER 9 -18.845 -15.651 1.749 63 HG SER 9 HG SER 9 -21.005 -15.029 3.487 64 H GLY 10 HN GLY 10 -20.977 -12.712 2.645 65 HA2 GLY 10 HA2 GLY 10 -19.358 -10.802 1.187 66 HA3 GLY 10 HA1 GLY 10 -20.415 -10.466 2.557 67 H LEU 11 HN LEU 11 -17.265 -11.136 1.547 68 HA LEU 11 HA LEU 11 -16.279 -11.798 4.162 69 HB2 LEU 11 HB2 LEU 11 -14.857 -11.072 1.587 70 HB3 LEU 11 HB1 LEU 11 -13.999 -11.351 3.080 71 HG LEU 11 HG LEU 11 -13.807 -13.293 1.713 72 HD11 LEU 11 HD11 LEU 11 -14.007 -13.731 4.061 73 HD12 LEU 11 HD12 LEU 11 -14.723 -15.036 3.118 74 HD13 LEU 11 HD13 LEU 11 -15.761 -13.855 3.916 75 HD21 LEU 11 HD21 LEU 11 -15.732 -14.616 0.953 76 HD22 LEU 11 HD22 LEU 11 -15.727 -13.003 0.247 77 HD23 LEU 11 HD23 LEU 11 -16.822 -13.378 1.577 78 H VAL 12 HN VAL 12 -16.074 -10.388 5.691 79 HA VAL 12 HA VAL 12 -15.818 -7.558 4.961 80 HB VAL 12 HB VAL 12 -17.183 -8.722 7.413 81 HG11 VAL 12 HG11 VAL 12 -16.995 -5.865 6.473 82 HG12 VAL 12 HG12 VAL 12 -16.176 -6.559 7.870 83 HG13 VAL 12 HG13 VAL 12 -17.937 -6.434 7.852 84 HG21 VAL 12 HG21 VAL 12 -18.394 -7.403 4.986 85 HG22 VAL 12 HG22 VAL 12 -19.276 -7.899 6.429 86 HG23 VAL 12 HG23 VAL 12 -18.508 -9.111 5.405 87 HA PRO 13 HA PRO 13 -12.084 -8.440 7.400 88 HB2 PRO 13 HB2 PRO 13 -10.890 -6.150 6.069 89 HB3 PRO 13 HB1 PRO 13 -10.424 -7.847 5.937 90 HG2 PRO 13 HG2 PRO 13 -11.564 -6.437 3.887 91 HG3 PRO 13 HG1 PRO 13 -11.721 -8.192 4.075 92 HD2 PRO 13 HD2 PRO 13 -13.669 -6.028 4.778 93 HD3 PRO 13 HD1 PRO 13 -13.957 -7.626 4.048 94 H ARG 14 HN ARG 14 -13.311 -7.758 9.156 95 HA ARG 14 HA ARG 14 -13.738 -6.587 11.002 96 HB2 ARG 14 HB2 ARG 14 -11.859 -4.497 9.878 97 HB3 ARG 14 HB1 ARG 14 -12.564 -4.427 11.485 98 HG2 ARG 14 HG2 ARG 14 -10.667 -6.534 10.449 99 HG3 ARG 14 HG1 ARG 14 -10.280 -5.241 11.584 100 HD2 ARG 14 HD2 ARG 14 -12.215 -7.519 12.048 101 HD3 ARG 14 HD1 ARG 14 -10.618 -7.357 12.761 102 HE ARG 14 HE ARG 14 -11.616 -5.173 13.676 103 HH11 ARG 14 HH11 ARG 14 -13.263 -8.304 13.433 104 HH12 ARG 14 HH12 ARG 14 -14.386 -7.987 14.651 105 HH21 ARG 14 HH21 ARG 14 -13.132 -4.749 15.417 106 HH22 ARG 14 HH22 ARG 14 -14.303 -5.894 15.840 107 H GLY 15 HN GLY 15 -13.748 -4.437 8.245 108 HA2 GLY 15 HA2 GLY 15 -16.503 -4.147 8.100 109 HA3 GLY 15 HA1 GLY 15 -15.869 -2.788 9.038 110 H SER 16 HN SER 16 -14.800 -1.256 8.092 111 HA SER 16 HA SER 16 -13.781 -1.607 5.382 112 HB2 SER 16 HB2 SER 16 -16.022 -0.327 5.362 113 HB3 SER 16 HB1 SER 16 -15.216 0.915 6.320 114 HG SER 16 HG SER 16 -14.799 0.149 3.653 115 H ASP 17 HN ASP 17 -12.935 -1.774 8.078 116 HA ASP 17 HA ASP 17 -11.300 0.478 8.851 117 HB2 ASP 17 HB2 ASP 17 -11.403 -2.358 9.917 118 HB3 ASP 17 HB1 ASP 17 -10.631 -0.992 10.696 119 H THR 18 HN THR 18 -10.874 -0.932 6.313 120 HA THR 18 HA THR 18 -8.599 -2.546 6.668 121 HB THR 18 HB THR 18 -8.648 -2.397 4.029 122 HG1 THR 18 HG1 THR 18 -11.106 -2.116 3.663 123 HG21 THR 18 HG21 THR 18 -10.809 -3.737 5.667 124 HG22 THR 18 HG22 THR 18 -9.206 -4.400 5.339 125 HG23 THR 18 HG23 THR 18 -10.354 -4.177 4.022 126 H SER 19 HN SER 19 -9.008 0.643 6.547 127 HA SER 19 HA SER 19 -6.668 1.419 5.098 128 HB2 SER 19 HB2 SER 19 -8.238 3.050 7.101 129 HB3 SER 19 HB1 SER 19 -7.180 3.659 5.826 130 HG SER 19 HG SER 19 -8.882 2.081 4.640 131 H LYS 20 HN LYS 20 -7.435 0.810 8.524 132 HA LYS 20 HA LYS 20 -4.890 1.713 9.370 133 HB2 LYS 20 HB2 LYS 20 -5.441 0.740 11.626 134 HB3 LYS 20 HB1 LYS 20 -6.584 1.915 11.036 135 HG2 LYS 20 HG2 LYS 20 -7.800 0.195 12.135 136 HG3 LYS 20 HG1 LYS 20 -8.089 0.002 10.409 137 HD2 LYS 20 HD2 LYS 20 -6.507 -1.834 10.324 138 HD3 LYS 20 HD1 LYS 20 -6.087 -1.586 12.019 139 HE2 LYS 20 HE2 LYS 20 -8.832 -2.337 11.009 140 HE3 LYS 20 HE1 LYS 20 -7.654 -3.474 11.655 141 HZ1 LYS 20 HZ1 LYS 20 -9.287 -2.825 13.313 142 HZ2 LYS 20 HZ2 LYS 20 -8.873 -1.213 13.173 143 HZ3 LYS 20 HZ3 LYS 20 -7.756 -2.333 13.778 144 H PHE 21 HN PHE 21 -5.662 -0.963 7.716 145 HA PHE 21 HA PHE 21 -3.679 -2.672 8.906 146 HB2 PHE 21 HB2 PHE 21 -5.213 -2.880 6.321 147 HB3 PHE 21 HB1 PHE 21 -4.034 -4.072 6.828 148 HD1 PHE 21 HD2 PHE 21 -4.620 -4.424 9.665 149 HD2 PHE 21 HD1 PHE 21 -7.247 -3.866 6.384 150 HE1 PHE 21 HE2 PHE 21 -6.393 -5.594 10.893 151 HE2 PHE 21 HE1 PHE 21 -9.040 -5.033 7.611 152 HZ PHE 21 HZ PHE 21 -8.606 -5.905 9.866 153 H TRP 22 HN TRP 22 -3.778 -0.150 6.571 154 HA TRP 22 HA TRP 22 -1.045 -0.841 5.912 155 HB2 TRP 22 HB2 TRP 22 -1.335 0.342 3.710 156 HB3 TRP 22 HB1 TRP 22 -2.169 -1.186 3.890 157 HD1 TRP 22 HD1 TRP 22 -4.760 -1.180 3.528 158 HE1 TRP 22 HE1 TRP 22 -6.447 0.600 2.743 159 HE3 TRP 22 HE3 TRP 22 -1.849 2.991 3.999 160 HZ2 TRP 22 HZ2 TRP 22 -6.525 3.401 2.357 161 HZ3 TRP 22 HZ3 TRP 22 -2.824 5.174 3.399 162 HH2 TRP 22 HH2 TRP 22 -5.105 5.362 2.617 163 H TYR 23 HN TYR 23 -3.122 1.809 6.871 164 HA TYR 23 HA TYR 23 -0.822 3.593 6.654 165 HB2 TYR 23 HB2 TYR 23 -3.211 4.302 6.034 166 HB3 TYR 23 HB1 TYR 23 -3.513 4.333 7.771 167 HD1 TYR 23 HD2 TYR 23 -2.192 5.926 9.222 168 HD2 TYR 23 HD1 TYR 23 -1.985 6.019 4.988 169 HE1 TYR 23 HE2 TYR 23 -1.184 8.166 9.321 170 HE2 TYR 23 HE1 TYR 23 -0.997 8.240 5.070 171 HH TYR 23 HH TYR 23 0.279 9.653 7.821 172 H LYS 24 HN LYS 24 0.558 3.572 8.188 173 HA LYS 24 HA LYS 24 -0.258 4.153 10.790 174 HB2 LYS 24 HB2 LYS 24 1.084 2.339 11.964 175 HB3 LYS 24 HB1 LYS 24 -0.475 1.882 11.320 176 HG2 LYS 24 HG2 LYS 24 2.165 1.250 9.988 177 HG3 LYS 24 HG1 LYS 24 1.365 0.173 11.129 178 HD2 LYS 24 HD2 LYS 24 -0.650 0.340 9.512 179 HD3 LYS 24 HD1 LYS 24 0.516 0.989 8.360 180 HE2 LYS 24 HE2 LYS 24 0.326 -1.382 7.985 181 HE3 LYS 24 HE1 LYS 24 1.898 -1.058 8.712 182 HZ1 LYS 24 HZ1 LYS 24 0.973 -1.738 10.870 183 HZ2 LYS 24 HZ2 LYS 24 0.795 -2.989 9.764 184 HZ3 LYS 24 HZ3 LYS 24 -0.507 -2.040 10.154 185 HA PRO 25 HA PRO 25 3.349 6.456 9.767 186 HB2 PRO 25 HB2 PRO 25 2.695 8.661 11.078 187 HB3 PRO 25 HB1 PRO 25 1.813 8.155 9.632 188 HG2 PRO 25 HG2 PRO 25 1.073 7.830 12.509 189 HG3 PRO 25 HG1 PRO 25 0.061 8.354 11.157 190 HD2 PRO 25 HD2 PRO 25 0.097 5.784 12.137 191 HD3 PRO 25 HD1 PRO 25 -0.348 6.217 10.471 192 H HIS 26 HN HIS 26 3.100 4.685 12.362 193 HA HIS 26 HA HIS 26 4.818 6.328 14.064 194 HB2 HIS 26 HB2 HIS 26 4.414 4.681 15.872 195 HB3 HIS 26 HB1 HIS 26 2.948 5.455 15.289 196 HD1 HIS 26 HD1 HIS 26 4.536 2.113 15.756 197 HD2 HIS 26 HD2 HIS 26 1.207 3.732 13.864 198 HE1 HIS 26 HE1 HIS 26 3.000 0.182 15.281 199 H LEU 27 HN LEU 27 5.209 4.196 11.712 200 HA LEU 27 HA LEU 27 7.413 2.801 12.977 201 HB2 LEU 27 HB2 LEU 27 6.089 2.355 10.338 202 HB3 LEU 27 HB1 LEU 27 7.592 1.555 10.761 203 HG LEU 27 HG LEU 27 6.250 0.720 12.824 204 HD11 LEU 27 HD11 LEU 27 4.328 2.100 12.553 205 HD12 LEU 27 HD12 LEU 27 3.880 0.397 12.401 206 HD13 LEU 27 HD13 LEU 27 4.018 1.411 10.962 207 HD21 LEU 27 HD21 LEU 27 5.463 -1.229 11.563 208 HD22 LEU 27 HD22 LEU 27 7.096 -0.748 11.120 209 HD23 LEU 27 HD23 LEU 27 5.740 -0.355 10.058 210 H SER 28 HN SER 28 9.402 2.920 12.481 211 HA SER 28 HA SER 28 10.407 5.181 10.980 212 HB2 SER 28 HB2 SER 28 11.945 3.017 12.417 213 HB3 SER 28 HB1 SER 28 12.438 4.684 12.102 214 HG SER 28 HG SER 28 11.424 5.314 13.806 215 H ARG 29 HN ARG 29 12.512 4.490 9.651 216 HA ARG 29 HA ARG 29 11.921 3.034 7.377 217 HB2 ARG 29 HB2 ARG 29 13.843 4.495 7.500 218 HB3 ARG 29 HB1 ARG 29 14.574 3.498 8.741 219 HG2 ARG 29 HG2 ARG 29 14.662 1.645 7.034 220 HG3 ARG 29 HG1 ARG 29 14.241 2.864 5.828 221 HD2 ARG 29 HD2 ARG 29 16.657 2.582 5.930 222 HD3 ARG 29 HD1 ARG 29 16.198 4.187 6.499 223 HE ARG 29 HE ARG 29 16.419 2.360 8.682 224 HH11 ARG 29 HH11 ARG 29 18.402 4.306 6.497 225 HH12 ARG 29 HH12 ARG 29 19.722 4.398 7.551 226 HH21 ARG 29 HH21 ARG 29 18.137 2.474 10.099 227 HH22 ARG 29 HH22 ARG 29 19.587 3.313 9.705 228 H ASP 30 HN ASP 30 13.851 1.959 10.131 229 HA ASP 30 HA ASP 30 14.229 -0.669 9.196 230 HB2 ASP 30 HB2 ASP 30 14.601 0.506 11.951 231 HB3 ASP 30 HB1 ASP 30 15.081 -1.127 11.503 232 H GLN 31 HN GLN 31 11.862 0.753 11.303 233 HA GLN 31 HA GLN 31 10.737 -1.702 12.188 234 HB2 GLN 31 HB2 GLN 31 9.547 1.065 12.073 235 HB3 GLN 31 HB1 GLN 31 8.679 -0.324 12.691 236 HG2 GLN 31 HG2 GLN 31 10.464 -0.653 14.348 237 HG3 GLN 31 HG1 GLN 31 11.203 0.856 13.791 238 HE21 GLN 31 HE21 GLN 31 10.244 2.866 14.407 239 HE22 GLN 31 HE22 GLN 31 8.947 2.878 15.528 240 H ALA 32 HN ALA 32 10.069 0.396 9.461 241 HA ALA 32 HA ALA 32 7.788 -0.911 8.482 242 HB1 ALA 32 HB1 ALA 32 8.554 1.303 7.724 243 HB2 ALA 32 HB2 ALA 32 8.339 0.195 6.360 244 HB3 ALA 32 HB3 ALA 32 9.957 0.543 6.973 245 H ILE 33 HN ILE 33 11.211 -1.371 7.934 246 HA ILE 33 HA ILE 33 11.039 -3.423 6.027 247 HB ILE 33 HB ILE 33 13.257 -2.794 8.002 248 HG12 ILE 33 HG12 ILE 33 12.997 -2.030 5.092 249 HG13 ILE 33 HG11 ILE 33 12.543 -0.977 6.428 250 HG21 ILE 33 HG21 ILE 33 13.475 -5.080 7.100 251 HG22 ILE 33 HG22 ILE 33 14.735 -4.022 6.467 252 HG23 ILE 33 HG23 ILE 33 13.352 -4.444 5.461 253 HD11 ILE 33 HD11 ILE 33 15.292 -2.048 5.857 254 HD12 ILE 33 HD12 ILE 33 14.813 -1.044 7.235 255 HD13 ILE 33 HD13 ILE 33 14.706 -0.392 5.596 256 H ALA 34 HN ALA 34 11.443 -3.483 9.538 257 HA ALA 34 HA ALA 34 11.536 -6.250 9.928 258 HB1 ALA 34 HB1 ALA 34 12.021 -4.567 11.676 259 HB2 ALA 34 HB2 ALA 34 10.942 -5.863 12.197 260 HB3 ALA 34 HB3 ALA 34 10.275 -4.276 11.814 261 H LEU 35 HN LEU 35 8.826 -4.154 9.481 262 HA LEU 35 HA LEU 35 6.838 -6.059 10.230 263 HB2 LEU 35 HB2 LEU 35 6.843 -3.396 9.976 264 HB3 LEU 35 HB1 LEU 35 6.296 -3.786 8.365 265 HG LEU 35 HG LEU 35 4.419 -3.241 9.786 266 HD11 LEU 35 HD11 LEU 35 3.030 -5.217 9.513 267 HD12 LEU 35 HD12 LEU 35 4.474 -6.184 9.193 268 HD13 LEU 35 HD13 LEU 35 4.010 -4.899 8.079 269 HD21 LEU 35 HD21 LEU 35 3.858 -4.557 11.755 270 HD22 LEU 35 HD22 LEU 35 5.455 -3.800 11.907 271 HD23 LEU 35 HD23 LEU 35 5.331 -5.511 11.542 272 H LEU 36 HN LEU 36 8.097 -4.766 7.204 273 HA LEU 36 HA LEU 36 6.482 -6.362 5.534 274 HB2 LEU 36 HB2 LEU 36 8.846 -4.651 5.060 275 HB3 LEU 36 HB1 LEU 36 8.072 -5.501 3.756 276 HG LEU 36 HG LEU 36 6.856 -3.381 5.527 277 HD11 LEU 36 HD11 LEU 36 6.723 -2.117 3.450 278 HD12 LEU 36 HD12 LEU 36 7.591 -3.414 2.625 279 HD13 LEU 36 HD13 LEU 36 8.373 -2.506 3.924 280 HD21 LEU 36 HD21 LEU 36 4.896 -3.518 4.051 281 HD22 LEU 36 HD22 LEU 36 5.124 -4.987 4.984 282 HD23 LEU 36 HD23 LEU 36 5.585 -4.947 3.276 283 H LYS 37 HN LYS 37 9.642 -6.921 6.879 284 HA LYS 37 HA LYS 37 10.407 -8.889 5.016 285 HB2 LYS 37 HB2 LYS 37 12.049 -9.650 6.695 286 HB3 LYS 37 HB1 LYS 37 12.063 -7.903 6.529 287 HG2 LYS 37 HG2 LYS 37 10.601 -7.819 8.578 288 HG3 LYS 37 HG1 LYS 37 10.908 -9.544 8.762 289 HD2 LYS 37 HD2 LYS 37 13.051 -7.403 8.676 290 HD3 LYS 37 HD1 LYS 37 12.405 -8.114 10.149 291 HE2 LYS 37 HE2 LYS 37 13.751 -9.665 7.966 292 HE3 LYS 37 HE1 LYS 37 14.593 -9.052 9.379 293 HZ1 LYS 37 HZ1 LYS 37 13.972 -11.362 9.648 294 HZ2 LYS 37 HZ2 LYS 37 12.342 -11.014 9.448 295 HZ3 LYS 37 HZ3 LYS 37 13.178 -10.427 10.783 296 H ASP 38 HN ASP 38 8.223 -8.952 7.614 297 HA ASP 38 HA ASP 38 7.967 -11.836 7.738 298 HB2 ASP 38 HB2 ASP 38 7.576 -10.497 9.737 299 HB3 ASP 38 HB1 ASP 38 6.313 -9.591 8.912 300 H LYS 39 HN LYS 39 6.308 -9.087 6.385 301 HA LYS 39 HA LYS 39 3.953 -10.442 5.504 302 HB2 LYS 39 HB2 LYS 39 5.085 -7.782 4.656 303 HB3 LYS 39 HB1 LYS 39 3.497 -8.380 4.236 304 HG2 LYS 39 HG2 LYS 39 4.372 -7.868 7.084 305 HG3 LYS 39 HG1 LYS 39 3.595 -6.653 6.082 306 HD2 LYS 39 HD2 LYS 39 1.823 -7.513 7.339 307 HD3 LYS 39 HD1 LYS 39 1.690 -8.398 5.829 308 HE2 LYS 39 HE2 LYS 39 1.340 -9.884 7.685 309 HE3 LYS 39 HE1 LYS 39 2.853 -10.346 6.942 310 HZ1 LYS 39 HZ1 LYS 39 3.472 -10.316 9.079 311 HZ2 LYS 39 HZ2 LYS 39 2.299 -9.247 9.550 312 HZ3 LYS 39 HZ3 LYS 39 3.731 -8.660 8.848 313 H ASP 40 HN ASP 40 3.201 -10.834 3.495 314 HA ASP 40 HA ASP 40 5.027 -12.195 1.760 315 HB2 ASP 40 HB2 ASP 40 2.805 -13.104 2.291 316 HB3 ASP 40 HB1 ASP 40 2.036 -11.682 1.622 317 HA PRO 41 HA PRO 41 6.250 -8.950 -1.066 318 HB2 PRO 41 HB2 PRO 41 5.557 -11.014 -3.114 319 HB3 PRO 41 HB1 PRO 41 6.998 -9.998 -2.988 320 HG2 PRO 41 HG2 PRO 41 7.112 -12.523 -2.222 321 HG3 PRO 41 HG1 PRO 41 7.906 -11.263 -1.263 322 HD2 PRO 41 HD2 PRO 41 5.391 -12.758 -0.702 323 HD3 PRO 41 HD1 PRO 41 6.616 -12.131 0.421 324 H GLY 42 HN GLY 42 5.060 -7.265 -1.577 325 HA2 GLY 42 HA2 GLY 42 3.484 -6.384 -3.253 326 HA3 GLY 42 HA1 GLY 42 2.406 -7.698 -2.772 327 H ALA 43 HN ALA 43 3.360 -7.419 -0.002 328 HA ALA 43 HA ALA 43 1.353 -5.649 0.920 329 HB1 ALA 43 HB1 ALA 43 3.589 -7.001 2.423 330 HB2 ALA 43 HB2 ALA 43 1.972 -7.655 2.167 331 HB3 ALA 43 HB3 ALA 43 2.196 -6.212 3.157 332 H PHE 44 HN PHE 44 1.667 -3.772 2.216 333 HA PHE 44 HA PHE 44 4.188 -2.385 2.011 334 HB2 PHE 44 HB2 PHE 44 3.291 -0.552 0.719 335 HB3 PHE 44 HB1 PHE 44 2.997 -2.030 -0.189 336 HD1 PHE 44 HD1 PHE 44 0.647 -3.081 -0.011 337 HD2 PHE 44 HD2 PHE 44 1.537 0.883 1.248 338 HE1 PHE 44 HE1 PHE 44 -1.738 -2.511 -0.108 339 HE2 PHE 44 HE2 PHE 44 -0.843 1.447 1.159 340 HZ PHE 44 HZ PHE 44 -2.476 -0.238 0.491 341 H LEU 45 HN LEU 45 3.883 -0.233 3.088 342 HA LEU 45 HA LEU 45 1.425 0.140 4.512 343 HB2 LEU 45 HB2 LEU 45 2.403 0.549 6.695 344 HB3 LEU 45 HB1 LEU 45 2.731 -1.091 6.200 345 HG LEU 45 HG LEU 45 4.817 1.057 5.880 346 HD11 LEU 45 HD11 LEU 45 4.068 1.075 8.217 347 HD12 LEU 45 HD12 LEU 45 5.686 0.399 8.051 348 HD13 LEU 45 HD13 LEU 45 4.304 -0.673 8.301 349 HD21 LEU 45 HD21 LEU 45 6.321 -0.840 6.050 350 HD22 LEU 45 HD22 LEU 45 5.148 -1.095 4.755 351 HD23 LEU 45 HD23 LEU 45 4.955 -1.923 6.299 352 H ILE 46 HN ILE 46 1.038 2.225 5.056 353 HA ILE 46 HA ILE 46 2.875 4.122 3.831 354 HB ILE 46 HB ILE 46 -0.136 4.386 4.171 355 HG12 ILE 46 HG12 ILE 46 1.560 4.022 1.693 356 HG13 ILE 46 HG11 ILE 46 0.513 2.800 2.398 357 HG21 ILE 46 HG21 ILE 46 0.981 6.547 4.388 358 HG22 ILE 46 HG22 ILE 46 0.120 6.467 2.850 359 HG23 ILE 46 HG23 ILE 46 1.870 6.260 2.895 360 HD11 ILE 46 HD11 ILE 46 -0.370 5.408 1.170 361 HD12 ILE 46 HD12 ILE 46 -1.435 4.197 1.881 362 HD13 ILE 46 HD13 ILE 46 -0.502 3.809 0.437 363 H ARG 47 HN ARG 47 3.768 5.389 5.096 364 HA ARG 47 HA ARG 47 2.610 6.051 7.708 365 HB2 ARG 47 HB2 ARG 47 4.984 6.244 8.511 366 HB3 ARG 47 HB1 ARG 47 4.514 4.603 8.089 367 HG2 ARG 47 HG2 ARG 47 5.682 4.843 5.949 368 HG3 ARG 47 HG1 ARG 47 6.139 6.487 6.394 369 HD2 ARG 47 HD2 ARG 47 7.373 5.643 8.314 370 HD3 ARG 47 HD1 ARG 47 6.876 3.998 7.931 371 HE ARG 47 HE ARG 47 8.153 4.250 5.844 372 HH11 ARG 47 HH11 ARG 47 8.995 6.263 8.657 373 HH12 ARG 47 HH12 ARG 47 10.601 6.523 8.170 374 HH21 ARG 47 HH21 ARG 47 10.409 4.559 5.207 375 HH22 ARG 47 HH22 ARG 47 11.406 5.570 6.135 376 H ASP 48 HN ASP 48 3.963 8.247 8.383 377 HA ASP 48 HA ASP 48 3.638 10.030 6.130 378 HB2 ASP 48 HB2 ASP 48 4.202 10.474 9.057 379 HB3 ASP 48 HB1 ASP 48 4.429 11.764 7.888 380 H SER 49 HN SER 49 5.352 11.463 5.416 381 HA SER 49 HA SER 49 7.865 10.076 5.416 382 HB2 SER 49 HB2 SER 49 7.079 11.090 3.313 383 HB3 SER 49 HB1 SER 49 7.033 12.676 4.086 384 HG SER 49 HG SER 49 9.312 11.058 3.587 385 H HIS 50 HN HIS 50 9.563 10.623 6.549 386 HA HIS 50 HA HIS 50 9.258 12.737 8.517 387 HB2 HIS 50 HB2 HIS 50 11.303 10.596 8.104 388 HB3 HIS 50 HB1 HIS 50 11.450 11.821 9.356 389 HD1 HIS 50 HD1 HIS 50 9.270 11.708 11.167 390 HD2 HIS 50 HD2 HIS 50 9.912 8.410 8.716 391 HE1 HIS 50 HE1 HIS 50 7.960 9.822 12.169 392 H SER 51 HN SER 51 10.743 12.008 5.601 393 HA SER 51 HA SER 51 12.879 13.845 5.704 394 HB2 SER 51 HB2 SER 51 11.450 12.605 3.384 395 HB3 SER 51 HB1 SER 51 13.077 13.329 3.353 396 HG SER 51 HG SER 51 13.260 11.625 5.218 397 H PHE 52 HN PHE 52 9.652 13.851 4.079 398 HA PHE 52 HA PHE 52 9.838 16.770 4.059 399 HB2 PHE 52 HB2 PHE 52 8.639 15.070 1.874 400 HB3 PHE 52 HB1 PHE 52 8.706 16.826 1.911 401 HD1 PHE 52 HD2 PHE 52 11.122 17.785 2.286 402 HD2 PHE 52 HD1 PHE 52 10.236 13.968 0.662 403 HE1 PHE 52 HE2 PHE 52 13.345 17.734 1.210 404 HE2 PHE 52 HE1 PHE 52 12.433 13.884 -0.399 405 HZ PHE 52 HZ PHE 52 14.005 15.774 -0.133 406 H GLN 53 HN GLN 53 8.105 17.833 4.643 407 HA GLN 53 HA GLN 53 5.873 16.317 5.684 408 HB2 GLN 53 HB2 GLN 53 6.528 19.263 5.841 409 HB3 GLN 53 HB1 GLN 53 5.147 18.496 6.618 410 HG2 GLN 53 HG2 GLN 53 8.012 17.791 7.116 411 HG3 GLN 53 HG1 GLN 53 7.047 18.844 8.155 412 HE21 GLN 53 HE21 GLN 53 7.619 15.571 7.124 413 HE22 GLN 53 HE22 GLN 53 6.629 14.810 8.300 414 H GLY 54 HN GLY 54 3.815 16.470 4.925 415 HA2 GLY 54 HA2 GLY 54 2.158 17.053 3.375 416 HA3 GLY 54 HA1 GLY 54 3.366 17.960 2.458 417 H ALA 55 HN ALA 55 4.503 15.012 3.506 418 HA ALA 55 HA ALA 55 3.751 13.610 1.087 419 HB1 ALA 55 HB1 ALA 55 5.949 14.612 0.665 420 HB2 ALA 55 HB2 ALA 55 6.076 12.861 0.807 421 HB3 ALA 55 HB3 ALA 55 6.567 13.893 2.152 422 H TYR 56 HN TYR 56 3.911 11.369 1.335 423 HA TYR 56 HA TYR 56 4.065 10.404 4.137 424 HB2 TYR 56 HB2 TYR 56 2.457 9.119 1.896 425 HB3 TYR 56 HB1 TYR 56 2.459 8.709 3.590 426 HD1 TYR 56 HD2 TYR 56 1.678 10.586 5.233 427 HD2 TYR 56 HD1 TYR 56 0.783 10.520 1.078 428 HE1 TYR 56 HE2 TYR 56 -0.232 12.082 5.627 429 HE2 TYR 56 HE1 TYR 56 -1.127 12.021 1.458 430 HH TYR 56 HH TYR 56 -2.636 12.534 3.409 431 H GLY 57 HN GLY 57 4.631 7.989 4.068 432 HA2 GLY 57 HA2 GLY 57 6.648 7.661 1.982 433 HA3 GLY 57 HA1 GLY 57 7.021 7.246 3.637 434 H LEU 58 HN LEU 58 6.732 5.727 1.024 435 HA LEU 58 HA LEU 58 4.651 3.813 1.775 436 HB2 LEU 58 HB2 LEU 58 4.323 5.096 -0.356 437 HB3 LEU 58 HB1 LEU 58 5.830 4.456 -0.943 438 HG LEU 58 HG LEU 58 3.828 3.421 -1.955 439 HD11 LEU 58 HD11 LEU 58 4.427 1.088 -1.777 440 HD12 LEU 58 HD12 LEU 58 5.476 1.459 -0.406 441 HD13 LEU 58 HD13 LEU 58 5.836 2.128 -2.003 442 HD21 LEU 58 HD21 LEU 58 2.308 3.498 -0.123 443 HD22 LEU 58 HD22 LEU 58 3.299 2.364 0.799 444 HD23 LEU 58 HD23 LEU 58 2.485 1.835 -0.676 445 H ALA 59 HN ALA 59 5.528 2.095 2.598 446 HA ALA 59 HA ALA 59 8.220 1.280 1.749 447 HB1 ALA 59 HB1 ALA 59 8.240 -0.090 3.801 448 HB2 ALA 59 HB2 ALA 59 6.625 0.490 4.193 449 HB3 ALA 59 HB3 ALA 59 7.987 1.617 4.164 450 H LEU 60 HN LEU 60 8.355 -0.480 0.518 451 HA LEU 60 HA LEU 60 5.900 -2.079 0.162 452 HB2 LEU 60 HB2 LEU 60 6.218 -0.552 -1.674 453 HB3 LEU 60 HB1 LEU 60 7.866 -1.106 -1.886 454 HG LEU 60 HG LEU 60 6.924 -3.363 -2.457 455 HD11 LEU 60 HD11 LEU 60 4.737 -3.149 -1.465 456 HD12 LEU 60 HD12 LEU 60 4.602 -3.469 -3.193 457 HD13 LEU 60 HD13 LEU 60 4.332 -1.841 -2.574 458 HD21 LEU 60 HD21 LEU 60 7.765 -1.834 -4.137 459 HD22 LEU 60 HD22 LEU 60 6.196 -1.033 -4.216 460 HD23 LEU 60 HD23 LEU 60 6.358 -2.708 -4.740 461 H LYS 61 HN LYS 61 6.189 -4.203 0.421 462 HA LYS 61 HA LYS 61 8.866 -5.330 0.518 463 HB2 LYS 61 HB2 LYS 61 7.195 -5.979 2.233 464 HB3 LYS 61 HB1 LYS 61 6.137 -6.531 0.969 465 HG2 LYS 61 HG2 LYS 61 7.287 -8.389 2.120 466 HG3 LYS 61 HG1 LYS 61 7.633 -8.339 0.385 467 HD2 LYS 61 HD2 LYS 61 9.785 -7.297 0.882 468 HD3 LYS 61 HD1 LYS 61 9.408 -7.328 2.606 469 HE2 LYS 61 HE2 LYS 61 9.697 -9.724 0.790 470 HE3 LYS 61 HE1 LYS 61 10.837 -9.204 2.032 471 HZ1 LYS 61 HZ1 LYS 61 9.024 -9.573 3.681 472 HZ2 LYS 61 HZ2 LYS 61 9.528 -10.974 2.890 473 HZ3 LYS 61 HZ3 LYS 61 8.079 -10.262 2.468 474 H VAL 62 HN VAL 62 9.705 -5.920 -1.420 475 HA VAL 62 HA VAL 62 7.851 -6.997 -3.406 476 HB VAL 62 HB VAL 62 9.589 -6.728 -5.075 477 HG11 VAL 62 HG11 VAL 62 9.316 -4.224 -3.444 478 HG12 VAL 62 HG12 VAL 62 8.223 -4.792 -4.706 479 HG13 VAL 62 HG13 VAL 62 9.863 -4.286 -5.120 480 HG21 VAL 62 HG21 VAL 62 11.766 -5.671 -4.604 481 HG22 VAL 62 HG22 VAL 62 11.578 -7.212 -3.762 482 HG23 VAL 62 HG23 VAL 62 11.392 -5.698 -2.880 483 H ALA 63 HN ALA 63 8.914 -8.907 -4.673 484 HA ALA 63 HA ALA 63 9.580 -10.895 -2.729 485 HB1 ALA 63 HB1 ALA 63 9.693 -10.946 -5.740 486 HB2 ALA 63 HB2 ALA 63 8.375 -11.575 -4.730 487 HB3 ALA 63 HB3 ALA 63 9.979 -12.329 -4.700 488 H THR 64 HN THR 64 11.272 -9.423 -5.436 489 HA THR 64 HA THR 64 13.732 -9.355 -4.038 490 HB THR 64 HB THR 64 14.504 -10.680 -6.374 491 HG1 THR 64 HG1 THR 64 12.400 -11.501 -6.641 492 HG21 THR 64 HG21 THR 64 15.592 -10.851 -4.195 493 HG22 THR 64 HG22 THR 64 15.197 -12.466 -4.817 494 HG23 THR 64 HG23 THR 64 14.178 -11.715 -3.585 495 HA PRO 65 HA PRO 65 14.185 -5.982 -6.955 496 HB2 PRO 65 HB2 PRO 65 17.112 -6.238 -6.572 497 HB3 PRO 65 HB1 PRO 65 16.067 -4.865 -6.210 498 HG2 PRO 65 HG2 PRO 65 17.158 -6.449 -4.289 499 HG3 PRO 65 HG1 PRO 65 15.623 -5.589 -4.081 500 HD2 PRO 65 HD2 PRO 65 16.099 -8.504 -4.625 501 HD3 PRO 65 HD1 PRO 65 14.810 -7.684 -3.701 502 HA PRO 66 HA PRO 66 16.874 -8.857 -10.087 503 HB2 PRO 66 HB2 PRO 66 16.899 -11.417 -8.944 504 HB3 PRO 66 HB1 PRO 66 18.297 -10.334 -8.993 505 HG2 PRO 66 HG2 PRO 66 16.359 -10.689 -6.815 506 HG3 PRO 66 HG1 PRO 66 18.138 -10.688 -6.759 507 HD2 PRO 66 HD2 PRO 66 17.016 -8.460 -6.097 508 HD3 PRO 66 HD1 PRO 66 18.233 -8.402 -7.371 509 HA PRO 67 HA PRO 67 12.560 -9.905 -10.792 510 HB2 PRO 67 HB2 PRO 67 12.713 -10.603 -13.388 511 HB3 PRO 67 HB1 PRO 67 12.896 -8.924 -12.854 512 HG2 PRO 67 HG2 PRO 67 15.014 -10.925 -13.561 513 HG3 PRO 67 HG1 PRO 67 14.891 -9.218 -14.028 514 HD2 PRO 67 HD2 PRO 67 16.476 -10.094 -11.992 515 HD3 PRO 67 HD1 PRO 67 15.729 -8.479 -12.017 516 H SER 68 HN SER 68 15.102 -12.077 -10.950 517 HA SER 68 HA SER 68 13.262 -14.375 -10.874 518 HB2 SER 68 HB2 SER 68 15.102 -15.678 -12.013 519 HB3 SER 68 HB1 SER 68 14.317 -14.452 -13.016 520 HG SER 68 HG SER 68 16.351 -14.026 -13.353 521 H ALA 69 HN ALA 69 16.320 -12.982 -10.014 522 HA ALA 69 HA ALA 69 17.637 -13.017 -8.204 523 HB1 ALA 69 HB1 ALA 69 15.613 -12.899 -6.895 524 HB2 ALA 69 HB2 ALA 69 16.867 -13.826 -6.070 525 HB3 ALA 69 HB3 ALA 69 15.501 -14.663 -6.842 526 H GLN 70 HN GLN 70 17.570 -15.047 -10.286 527 HA GLN 70 HA GLN 70 18.691 -17.395 -9.235 528 HB2 GLN 70 HB2 GLN 70 17.881 -17.184 -11.565 529 HB3 GLN 70 HB1 GLN 70 19.213 -16.098 -11.923 530 HG2 GLN 70 HG2 GLN 70 20.800 -17.891 -11.502 531 HG3 GLN 70 HG1 GLN 70 19.471 -18.979 -11.100 532 HE21 GLN 70 HE21 GLN 70 19.895 -20.389 -12.722 533 HE22 GLN 70 HE22 GLN 70 19.655 -20.034 -14.394 534 HA PRO 71 HA PRO 71 22.953 -15.107 -9.374 535 HB2 PRO 71 HB2 PRO 71 22.856 -12.361 -9.428 536 HB3 PRO 71 HB1 PRO 71 23.136 -13.349 -10.868 537 HG2 PRO 71 HG2 PRO 71 20.600 -12.096 -9.894 538 HG3 PRO 71 HG1 PRO 71 21.241 -12.179 -11.546 539 HD2 PRO 71 HD2 PRO 71 19.301 -13.827 -10.694 540 HD3 PRO 71 HD1 PRO 71 20.553 -14.364 -11.833 541 H TRP 72 HN TRP 72 23.096 -15.594 -7.289 542 HA TRP 72 HA TRP 72 21.450 -14.228 -5.315 543 HB2 TRP 72 HB2 TRP 72 21.364 -16.659 -5.317 544 HB3 TRP 72 HB1 TRP 72 23.112 -16.749 -5.143 545 HD1 TRP 72 HD1 TRP 72 24.092 -16.519 -2.717 546 HE1 TRP 72 HE1 TRP 72 23.039 -16.390 -0.384 547 HE3 TRP 72 HE3 TRP 72 19.238 -15.703 -4.085 548 HZ2 TRP 72 HZ2 TRP 72 20.469 -15.996 0.736 549 HZ3 TRP 72 HZ3 TRP 72 17.546 -15.455 -2.321 550 HH2 TRP 72 HH2 TRP 72 18.148 -15.599 0.037 551 H LYS 73 HN LYS 73 22.311 -13.254 -3.529 552 HA LYS 73 HA LYS 73 25.210 -13.040 -3.375 553 HB2 LYS 73 HB2 LYS 73 24.440 -11.000 -4.448 554 HB3 LYS 73 HB1 LYS 73 23.242 -10.747 -3.195 555 HG2 LYS 73 HG2 LYS 73 25.133 -9.235 -2.953 556 HG3 LYS 73 HG1 LYS 73 25.003 -10.324 -1.576 557 HD2 LYS 73 HD2 LYS 73 26.784 -11.706 -2.461 558 HD3 LYS 73 HD1 LYS 73 26.890 -10.705 -3.907 559 HE2 LYS 73 HE2 LYS 73 27.485 -8.773 -2.469 560 HE3 LYS 73 HE1 LYS 73 27.446 -9.831 -1.067 561 HZ1 LYS 73 HZ1 LYS 73 29.684 -9.539 -1.834 562 HZ2 LYS 73 HZ2 LYS 73 29.276 -10.057 -3.378 563 HZ3 LYS 73 HZ3 LYS 73 29.225 -11.144 -2.091 564 H GLY 74 HN GLY 74 22.101 -12.893 -1.689 565 HA2 GLY 74 HA2 GLY 74 21.641 -13.562 0.484 566 HA3 GLY 74 HA1 GLY 74 23.356 -13.859 0.737 567 H ASP 75 HN ASP 75 21.926 -10.965 -0.481 568 HA ASP 75 HA ASP 75 23.234 -9.474 1.585 569 HB2 ASP 75 HB2 ASP 75 22.651 -7.480 0.069 570 HB3 ASP 75 HB1 ASP 75 23.817 -8.634 -0.543 571 HA PRO 76 HA PRO 76 20.241 -8.199 4.428 572 HB2 PRO 76 HB2 PRO 76 20.350 -5.585 2.988 573 HB3 PRO 76 HB1 PRO 76 20.214 -5.889 4.724 574 HG2 PRO 76 HG2 PRO 76 22.567 -5.383 3.686 575 HG3 PRO 76 HG1 PRO 76 22.393 -6.675 4.885 576 HD2 PRO 76 HD2 PRO 76 22.895 -6.861 1.980 577 HD3 PRO 76 HD1 PRO 76 23.290 -8.017 3.265 578 H VAL 77 HN VAL 77 18.146 -8.116 4.802 579 HA VAL 77 HA VAL 77 16.252 -8.476 2.703 580 HB VAL 77 HB VAL 77 16.070 -9.527 4.980 581 HG11 VAL 77 HG11 VAL 77 16.733 -7.707 6.392 582 HG12 VAL 77 HG12 VAL 77 15.118 -8.243 6.848 583 HG13 VAL 77 HG13 VAL 77 15.324 -6.768 5.906 584 HG21 VAL 77 HG21 VAL 77 13.630 -9.246 5.250 585 HG22 VAL 77 HG22 VAL 77 14.109 -9.512 3.578 586 HG23 VAL 77 HG23 VAL 77 13.686 -7.887 4.128 587 H GLU 78 HN GLU 78 17.623 -5.824 4.181 588 HA GLU 78 HA GLU 78 15.640 -3.834 4.059 589 HB2 GLU 78 HB2 GLU 78 18.624 -3.526 3.724 590 HB3 GLU 78 HB1 GLU 78 17.493 -2.263 4.184 591 HG2 GLU 78 HG2 GLU 78 16.996 -3.463 6.252 592 HG3 GLU 78 HG1 GLU 78 18.118 -4.736 5.781 593 H GLN 79 HN GLN 79 17.369 -5.442 1.585 594 HA GLN 79 HA GLN 79 16.927 -3.326 -0.349 595 HB2 GLN 79 HB2 GLN 79 19.038 -4.670 -0.309 596 HB3 GLN 79 HB1 GLN 79 18.081 -6.076 -0.750 597 HG2 GLN 79 HG2 GLN 79 17.451 -4.982 -2.851 598 HG3 GLN 79 HG1 GLN 79 18.419 -3.583 -2.405 599 HE21 GLN 79 HE21 GLN 79 19.344 -6.867 -1.752 600 HE22 GLN 79 HE22 GLN 79 20.715 -6.911 -2.772 601 H LEU 80 HN LEU 80 15.491 -6.285 0.758 602 HA LEU 80 HA LEU 80 13.867 -6.737 -1.575 603 HB2 LEU 80 HB2 LEU 80 13.495 -7.805 1.236 604 HB3 LEU 80 HB1 LEU 80 12.680 -8.378 -0.204 605 HG LEU 80 HG LEU 80 15.622 -8.657 0.406 606 HD11 LEU 80 HD11 LEU 80 13.411 -10.690 0.260 607 HD12 LEU 80 HD12 LEU 80 14.243 -10.148 1.719 608 HD13 LEU 80 HD13 LEU 80 15.121 -11.047 0.482 609 HD21 LEU 80 HD21 LEU 80 15.656 -10.070 -1.635 610 HD22 LEU 80 HD22 LEU 80 15.368 -8.373 -1.954 611 HD23 LEU 80 HD23 LEU 80 14.020 -9.514 -2.002 612 H VAL 81 HN VAL 81 13.687 -4.955 1.331 613 HA VAL 81 HA VAL 81 10.961 -4.140 0.752 614 HB VAL 81 HB VAL 81 12.814 -3.389 3.047 615 HG11 VAL 81 HG11 VAL 81 10.824 -2.311 4.041 616 HG12 VAL 81 HG12 VAL 81 9.925 -2.644 2.555 617 HG13 VAL 81 HG13 VAL 81 11.296 -1.542 2.524 618 HG21 VAL 81 HG21 VAL 81 10.335 -5.096 2.953 619 HG22 VAL 81 HG22 VAL 81 11.268 -4.726 4.406 620 HG23 VAL 81 HG23 VAL 81 11.985 -5.696 3.115 621 H ARG 82 HN ARG 82 10.575 -2.435 -0.399 622 HA ARG 82 HA ARG 82 12.802 -0.657 -1.086 623 HB2 ARG 82 HB2 ARG 82 10.228 -1.236 -2.556 624 HB3 ARG 82 HB1 ARG 82 11.404 -0.035 -3.052 625 HG2 ARG 82 HG2 ARG 82 11.949 -2.998 -2.848 626 HG3 ARG 82 HG1 ARG 82 11.535 -2.148 -4.335 627 HD2 ARG 82 HD2 ARG 82 13.913 -2.427 -4.295 628 HD3 ARG 82 HD1 ARG 82 13.566 -0.728 -3.993 629 HE ARG 82 HE ARG 82 13.969 -2.442 -1.679 630 HH11 ARG 82 HH11 ARG 82 15.421 -0.028 -3.826 631 HH12 ARG 82 HH12 ARG 82 16.641 0.411 -2.724 632 HH21 ARG 82 HH21 ARG 82 15.649 -1.818 -0.166 633 HH22 ARG 82 HH22 ARG 82 16.797 -0.651 -0.644 634 H HIS 83 HN HIS 83 12.403 1.578 -1.145 635 HA HIS 83 HA HIS 83 10.066 2.396 0.372 636 HB2 HIS 83 HB2 HIS 83 12.901 2.960 0.964 637 HB3 HIS 83 HB1 HIS 83 11.799 4.322 1.117 638 HD1 HIS 83 HD1 HIS 83 12.836 1.189 2.846 639 HD2 HIS 83 HD2 HIS 83 9.775 3.990 3.058 640 HE1 HIS 83 HE1 HIS 83 11.755 0.884 5.109 641 H PHE 84 HN PHE 84 8.902 3.779 -0.486 642 HA PHE 84 HA PHE 84 9.933 5.658 -2.478 643 HB2 PHE 84 HB2 PHE 84 7.294 4.151 -2.493 644 HB3 PHE 84 HB1 PHE 84 7.712 5.415 -3.631 645 HD1 PHE 84 HD2 PHE 84 9.629 4.990 -5.232 646 HD2 PHE 84 HD1 PHE 84 7.914 1.916 -2.836 647 HE1 PHE 84 HE2 PHE 84 10.618 3.288 -6.706 648 HE2 PHE 84 HE1 PHE 84 8.907 0.217 -4.296 649 HZ PHE 84 HZ PHE 84 10.257 0.899 -6.240 650 H LEU 85 HN LEU 85 8.238 7.545 -2.531 651 HA LEU 85 HA LEU 85 6.844 7.606 -0.037 652 HB2 LEU 85 HB2 LEU 85 7.608 9.832 0.591 653 HB3 LEU 85 HB1 LEU 85 8.941 8.723 0.479 654 HG LEU 85 HG LEU 85 9.278 9.819 -1.880 655 HD11 LEU 85 HD11 LEU 85 8.622 12.175 -1.905 656 HD12 LEU 85 HD12 LEU 85 7.760 11.924 -0.380 657 HD13 LEU 85 HD13 LEU 85 7.212 11.105 -1.841 658 HD21 LEU 85 HD21 LEU 85 9.920 11.198 0.715 659 HD22 LEU 85 HD22 LEU 85 10.742 11.479 -0.826 660 HD23 LEU 85 HD23 LEU 85 10.849 9.903 -0.038 661 H ILE 86 HN ILE 86 5.247 9.380 0.042 662 HA ILE 86 HA ILE 86 4.001 9.410 -2.625 663 HB ILE 86 HB ILE 86 2.614 9.426 0.056 664 HG12 ILE 86 HG12 ILE 86 3.058 7.104 -1.837 665 HG13 ILE 86 HG11 ILE 86 3.847 7.316 -0.283 666 HG21 ILE 86 HG21 ILE 86 1.336 10.403 -1.732 667 HG22 ILE 86 HG22 ILE 86 0.634 8.845 -1.285 668 HG23 ILE 86 HG23 ILE 86 1.612 8.987 -2.749 669 HD11 ILE 86 HD11 ILE 86 2.043 5.706 -0.146 670 HD12 ILE 86 HD12 ILE 86 0.904 6.912 -0.738 671 HD13 ILE 86 HD13 ILE 86 1.680 7.130 0.830 672 H GLU 87 HN GLU 87 3.619 11.311 -3.435 673 HA GLU 87 HA GLU 87 4.062 13.735 -1.833 674 HB2 GLU 87 HB2 GLU 87 3.991 13.379 -4.837 675 HB3 GLU 87 HB1 GLU 87 4.569 14.781 -3.953 676 HG2 GLU 87 HG2 GLU 87 6.442 13.496 -3.112 677 HG3 GLU 87 HG1 GLU 87 5.825 12.057 -3.918 678 H THR 88 HN THR 88 2.253 15.003 -1.446 679 HA THR 88 HA THR 88 0.034 14.678 -3.296 680 HB THR 88 HB THR 88 -0.859 13.845 -1.258 681 HG1 THR 88 HG1 THR 88 -2.569 14.976 -1.377 682 HG21 THR 88 HG21 THR 88 -0.739 15.015 0.905 683 HG22 THR 88 HG22 THR 88 0.307 16.236 0.168 684 HG23 THR 88 HG23 THR 88 0.845 14.555 0.284 685 H GLY 89 HN GLY 89 -0.759 16.347 -4.272 686 HA2 GLY 89 HA2 GLY 89 -0.032 19.032 -3.422 687 HA3 GLY 89 HA1 GLY 89 0.472 18.507 -5.028 688 HA PRO 90 HA PRO 90 -3.729 20.457 -5.392 689 HB2 PRO 90 HB2 PRO 90 -3.257 21.576 -7.846 690 HB3 PRO 90 HB1 PRO 90 -2.893 22.374 -6.311 691 HG2 PRO 90 HG2 PRO 90 -1.070 20.881 -8.150 692 HG3 PRO 90 HG1 PRO 90 -0.779 22.395 -7.274 693 HD2 PRO 90 HD2 PRO 90 0.209 20.043 -6.423 694 HD3 PRO 90 HD1 PRO 90 -0.318 21.301 -5.291 695 H LYS 91 HN LYS 91 -1.907 18.521 -7.730 696 HA LYS 91 HA LYS 91 -4.276 17.964 -9.235 697 HB2 LYS 91 HB2 LYS 91 -1.490 16.912 -9.496 698 HB3 LYS 91 HB1 LYS 91 -2.830 16.339 -10.486 699 HG2 LYS 91 HG2 LYS 91 -3.279 18.748 -11.033 700 HG3 LYS 91 HG1 LYS 91 -1.704 19.086 -10.312 701 HD2 LYS 91 HD2 LYS 91 -0.607 17.755 -11.895 702 HD3 LYS 91 HD1 LYS 91 -2.146 17.112 -12.503 703 HE2 LYS 91 HE2 LYS 91 -2.825 19.365 -13.075 704 HE3 LYS 91 HE1 LYS 91 -1.248 19.978 -12.615 705 HZ1 LYS 91 HZ1 LYS 91 -1.372 19.661 -15.020 706 HZ2 LYS 91 HZ2 LYS 91 -1.741 18.020 -14.816 707 HZ3 LYS 91 HZ3 LYS 91 -0.234 18.606 -14.371 708 H GLY 92 HN GLY 92 -2.293 16.327 -6.866 709 HA2 GLY 92 HA2 GLY 92 -4.307 14.947 -5.682 710 HA3 GLY 92 HA1 GLY 92 -3.803 13.907 -7.004 711 H VAL 93 HN VAL 93 -3.328 12.482 -5.324 712 HA VAL 93 HA VAL 93 -0.732 12.983 -4.121 713 HB VAL 93 HB VAL 93 -2.571 12.802 -2.459 714 HG11 VAL 93 HG11 VAL 93 -4.113 11.348 -3.601 715 HG12 VAL 93 HG12 VAL 93 -3.697 10.671 -2.026 716 HG13 VAL 93 HG13 VAL 93 -2.973 10.009 -3.490 717 HG21 VAL 93 HG21 VAL 93 -1.558 11.193 -0.992 718 HG22 VAL 93 HG22 VAL 93 -0.301 12.070 -1.891 719 HG23 VAL 93 HG23 VAL 93 -0.757 10.436 -2.360 720 H LYS 94 HN LYS 94 0.830 11.678 -4.745 721 HA LYS 94 HA LYS 94 0.289 9.088 -5.786 722 HB2 LYS 94 HB2 LYS 94 1.661 9.689 -7.954 723 HB3 LYS 94 HB1 LYS 94 -0.075 9.908 -7.892 724 HG2 LYS 94 HG2 LYS 94 1.174 11.727 -9.025 725 HG3 LYS 94 HG1 LYS 94 0.186 12.262 -7.667 726 HD2 LYS 94 HD2 LYS 94 2.013 12.599 -6.322 727 HD3 LYS 94 HD1 LYS 94 3.103 11.676 -7.380 728 HE2 LYS 94 HE2 LYS 94 1.695 14.184 -8.203 729 HE3 LYS 94 HE1 LYS 94 3.290 14.228 -7.445 730 HZ1 LYS 94 HZ1 LYS 94 4.127 12.874 -9.237 731 HZ2 LYS 94 HZ2 LYS 94 3.471 14.283 -9.849 732 HZ3 LYS 94 HZ3 LYS 94 2.642 12.827 -10.012 733 H ILE 95 HN ILE 95 2.525 8.205 -6.815 734 HA ILE 95 HA ILE 95 4.204 8.387 -4.442 735 HB ILE 95 HB ILE 95 3.980 6.181 -6.508 736 HG12 ILE 95 HG12 ILE 95 3.065 6.285 -3.642 737 HG13 ILE 95 HG11 ILE 95 1.996 6.467 -5.031 738 HG21 ILE 95 HG21 ILE 95 5.530 6.233 -3.913 739 HG22 ILE 95 HG22 ILE 95 6.226 6.251 -5.533 740 HG23 ILE 95 HG23 ILE 95 5.338 4.832 -4.971 741 HD11 ILE 95 HD11 ILE 95 1.849 4.233 -4.098 742 HD12 ILE 95 HD12 ILE 95 3.591 4.024 -4.276 743 HD13 ILE 95 HD13 ILE 95 2.572 4.166 -5.707 744 H LYS 96 HN LYS 96 6.290 8.747 -4.477 745 HA LYS 96 HA LYS 96 7.652 10.125 -6.529 746 HB2 LYS 96 HB2 LYS 96 8.189 10.348 -4.143 747 HB3 LYS 96 HB1 LYS 96 8.626 8.653 -4.065 748 HG2 LYS 96 HG2 LYS 96 10.638 9.872 -4.101 749 HG3 LYS 96 HG1 LYS 96 10.464 9.143 -5.693 750 HD2 LYS 96 HD2 LYS 96 11.167 11.322 -6.108 751 HD3 LYS 96 HD1 LYS 96 9.420 11.361 -6.398 752 HE2 LYS 96 HE2 LYS 96 9.104 12.266 -4.129 753 HE3 LYS 96 HE1 LYS 96 10.852 12.292 -3.909 754 HZ1 LYS 96 HZ1 LYS 96 9.189 13.894 -5.730 755 HZ2 LYS 96 HZ2 LYS 96 10.843 13.768 -5.989 756 HZ3 LYS 96 HZ3 LYS 96 10.251 14.445 -4.553 757 H GLY 97 HN GLY 97 8.883 9.286 -8.213 758 HA2 GLY 97 HA2 GLY 97 10.434 7.647 -9.024 759 HA3 GLY 97 HA1 GLY 97 9.580 6.433 -8.082 760 H CYS 98 HN CYS 98 7.123 8.090 -9.153 761 HA CYS 98 HA CYS 98 7.077 7.044 -11.853 762 HB2 CYS 98 HB2 CYS 98 6.084 5.339 -10.280 763 HB3 CYS 98 HB1 CYS 98 4.901 6.544 -9.799 764 HG CYS 98 HG CYS 98 5.242 4.996 -12.783 765 HA PRO 99 HA PRO 99 5.226 11.117 -12.342 766 HB2 PRO 99 HB2 PRO 99 3.714 9.874 -14.582 767 HB3 PRO 99 HB1 PRO 99 4.772 11.287 -14.609 768 HG2 PRO 99 HG2 PRO 99 5.557 8.975 -15.689 769 HG3 PRO 99 HG1 PRO 99 6.698 10.005 -14.805 770 HD2 PRO 99 HD2 PRO 99 5.327 7.501 -13.917 771 HD3 PRO 99 HD1 PRO 99 6.991 8.042 -13.622 772 H SER 100 HN SER 100 3.360 8.178 -12.736 773 HA SER 100 HA SER 100 1.313 7.641 -12.521 774 HB2 SER 100 HB2 SER 100 0.388 8.163 -10.116 775 HB3 SER 100 HB1 SER 100 1.612 6.931 -10.432 776 HG SER 100 HG SER 100 2.956 9.127 -10.134 777 H GLU 101 HN GLU 101 0.864 8.813 -14.110 778 HA GLU 101 HA GLU 101 -0.314 11.226 -14.435 779 HB2 GLU 101 HB2 GLU 101 -0.895 8.647 -15.720 780 HB3 GLU 101 HB1 GLU 101 -1.387 10.207 -16.390 781 HG2 GLU 101 HG2 GLU 101 0.993 10.810 -16.562 782 HG3 GLU 101 HG1 GLU 101 1.420 9.218 -15.933 783 HA PRO 102 HA PRO 102 -4.804 9.121 -13.633 784 HB2 PRO 102 HB2 PRO 102 -4.624 7.706 -11.224 785 HB3 PRO 102 HB1 PRO 102 -4.873 7.060 -12.849 786 HG2 PRO 102 HG2 PRO 102 -2.333 7.299 -11.294 787 HG3 PRO 102 HG1 PRO 102 -2.883 5.980 -12.344 788 HD2 PRO 102 HD2 PRO 102 -1.073 7.700 -13.209 789 HD3 PRO 102 HD1 PRO 102 -2.381 7.166 -14.288 790 H TYR 103 HN TYR 103 -2.567 9.961 -11.431 791 HA TYR 103 HA TYR 103 -2.475 11.008 -9.364 792 HB2 TYR 103 HB2 TYR 103 -4.276 12.937 -10.830 793 HB3 TYR 103 HB1 TYR 103 -3.423 13.249 -9.312 794 HD1 TYR 103 HD1 TYR 103 -0.793 12.873 -9.365 795 HD2 TYR 103 HD2 TYR 103 -3.243 13.529 -12.800 796 HE1 TYR 103 HE1 TYR 103 1.152 13.556 -10.617 797 HE2 TYR 103 HE2 TYR 103 -1.274 14.211 -14.062 798 HH TYR 103 HH TYR 103 1.909 13.713 -12.926 799 H PHE 104 HN PHE 104 -3.229 9.953 -7.750 800 HA PHE 104 HA PHE 104 -5.991 9.295 -7.502 801 HB2 PHE 104 HB2 PHE 104 -3.776 8.974 -5.465 802 HB3 PHE 104 HB1 PHE 104 -5.300 8.093 -5.528 803 HD1 PHE 104 HD2 PHE 104 -5.702 6.616 -7.623 804 HD2 PHE 104 HD1 PHE 104 -1.881 8.103 -6.480 805 HE1 PHE 104 HE2 PHE 104 -4.606 4.888 -9.008 806 HE2 PHE 104 HE1 PHE 104 -0.795 6.378 -7.860 807 HZ PHE 104 HZ PHE 104 -2.165 4.773 -9.117 808 H GLY 105 HN GLY 105 -7.470 10.261 -6.146 809 HA2 GLY 105 HA2 GLY 105 -6.832 12.907 -5.249 810 HA3 GLY 105 HA1 GLY 105 -8.379 12.084 -5.050 811 H SER 106 HN SER 106 -7.494 9.823 -3.754 812 HA SER 106 HA SER 106 -6.300 10.827 -1.279 813 HB2 SER 106 HB2 SER 106 -8.727 9.024 -1.435 814 HB3 SER 106 HB1 SER 106 -7.982 9.680 0.025 815 HG SER 106 HG SER 106 -8.482 11.792 -0.881 816 H LEU 107 HN LEU 107 -5.467 9.064 0.057 817 HA LEU 107 HA LEU 107 -3.793 7.329 -1.335 818 HB2 LEU 107 HB2 LEU 107 -4.678 7.250 1.538 819 HB3 LEU 107 HB1 LEU 107 -3.368 6.294 0.882 820 HG LEU 107 HG LEU 107 -3.422 9.315 0.969 821 HD11 LEU 107 HD11 LEU 107 -1.745 9.081 2.726 822 HD12 LEU 107 HD12 LEU 107 -1.951 7.327 2.690 823 HD13 LEU 107 HD13 LEU 107 -3.282 8.364 3.205 824 HD21 LEU 107 HD21 LEU 107 -1.240 7.367 0.240 825 HD22 LEU 107 HD22 LEU 107 -1.048 9.113 0.404 826 HD23 LEU 107 HD23 LEU 107 -2.076 8.458 -0.868 827 H SER 108 HN SER 108 -7.000 6.775 -0.009 828 HA SER 108 HA SER 108 -7.048 4.003 -0.079 829 HB2 SER 108 HB2 SER 108 -9.347 5.880 -0.615 830 HB3 SER 108 HB1 SER 108 -9.428 4.251 0.076 831 HG SER 108 HG SER 108 -8.982 5.063 1.952 832 H ALA 109 HN ALA 109 -7.447 6.349 -2.685 833 HA ALA 109 HA ALA 109 -8.468 4.482 -4.612 834 HB1 ALA 109 HB1 ALA 109 -7.195 7.197 -5.002 835 HB2 ALA 109 HB2 ALA 109 -8.920 6.882 -4.827 836 HB3 ALA 109 HB3 ALA 109 -8.057 6.286 -6.243 837 H LEU 110 HN LEU 110 -5.418 5.645 -3.597 838 HA LEU 110 HA LEU 110 -3.784 4.578 -5.638 839 HB2 LEU 110 HB2 LEU 110 -2.999 6.374 -4.265 840 HB3 LEU 110 HB1 LEU 110 -3.351 5.505 -2.801 841 HG LEU 110 HG LEU 110 -1.123 4.605 -4.644 842 HD11 LEU 110 HD11 LEU 110 0.374 5.979 -3.259 843 HD12 LEU 110 HD12 LEU 110 -1.022 6.624 -2.395 844 HD13 LEU 110 HD13 LEU 110 -0.796 6.993 -4.105 845 HD21 LEU 110 HD21 LEU 110 -1.817 3.064 -2.840 846 HD22 LEU 110 HD22 LEU 110 -1.633 4.345 -1.663 847 HD23 LEU 110 HD23 LEU 110 -0.211 3.722 -2.508 848 H VAL 111 HN VAL 111 -4.815 3.461 -2.484 849 HA VAL 111 HA VAL 111 -3.380 1.030 -2.488 850 HB VAL 111 HB VAL 111 -5.648 2.058 -0.792 851 HG11 VAL 111 HG11 VAL 111 -4.065 -0.486 -0.510 852 HG12 VAL 111 HG12 VAL 111 -5.810 -0.318 -0.659 853 HG13 VAL 111 HG13 VAL 111 -4.990 0.245 0.802 854 HG21 VAL 111 HG21 VAL 111 -2.689 1.774 -0.327 855 HG22 VAL 111 HG22 VAL 111 -3.863 2.322 0.870 856 HG23 VAL 111 HG23 VAL 111 -3.577 3.274 -0.587 857 H SER 112 HN SER 112 -6.714 1.801 -3.328 858 HA SER 112 HA SER 112 -7.538 -0.885 -3.631 859 HB2 SER 112 HB2 SER 112 -9.145 0.900 -3.265 860 HB3 SER 112 HB1 SER 112 -8.711 1.657 -4.795 861 HG SER 112 HG SER 112 -9.305 -0.785 -5.406 862 H GLN 113 HN GLN 113 -5.663 1.159 -5.576 863 HA GLN 113 HA GLN 113 -6.112 -0.558 -7.865 864 HB2 GLN 113 HB2 GLN 113 -5.368 2.332 -7.665 865 HB3 GLN 113 HB1 GLN 113 -5.031 1.415 -9.133 866 HG2 GLN 113 HG2 GLN 113 -7.328 0.924 -9.466 867 HG3 GLN 113 HG1 GLN 113 -7.754 1.522 -7.870 868 HE21 GLN 113 HE21 GLN 113 -6.269 3.926 -7.971 869 HE22 GLN 113 HE22 GLN 113 -7.049 4.947 -9.130 870 H HIS 114 HN HIS 114 -4.019 -0.375 -9.344 871 HA HIS 114 HA HIS 114 -1.988 -1.131 -9.741 872 HB2 HIS 114 HB2 HIS 114 -1.300 -0.159 -6.962 873 HB3 HIS 114 HB1 HIS 114 -0.111 -0.869 -8.050 874 HD1 HIS 114 HD1 HIS 114 -1.590 0.745 -10.586 875 HD2 HIS 114 HD2 HIS 114 0.098 2.271 -7.104 876 HE1 HIS 114 HE1 HIS 114 -1.025 3.157 -11.062 877 H SER 115 HN SER 115 -3.816 -2.539 -7.320 878 HA SER 115 HA SER 115 -2.372 -4.972 -7.106 879 HB2 SER 115 HB2 SER 115 -5.373 -4.525 -7.005 880 HB3 SER 115 HB1 SER 115 -4.483 -5.872 -6.291 881 HG SER 115 HG SER 115 -3.342 -4.133 -5.100 882 H ILE 116 HN ILE 116 -4.584 -3.557 -9.375 883 HA ILE 116 HA ILE 116 -4.774 -5.959 -10.999 884 HB ILE 116 HB ILE 116 -5.861 -3.178 -11.571 885 HG12 ILE 116 HG12 ILE 116 -7.299 -5.590 -10.422 886 HG13 ILE 116 HG11 ILE 116 -6.798 -4.181 -9.495 887 HG21 ILE 116 HG21 ILE 116 -6.516 -5.861 -12.811 888 HG22 ILE 116 HG22 ILE 116 -5.622 -4.548 -13.583 889 HG23 ILE 116 HG23 ILE 116 -7.325 -4.337 -13.180 890 HD11 ILE 116 HD11 ILE 116 -8.302 -2.781 -10.819 891 HD12 ILE 116 HD12 ILE 116 -9.166 -4.095 -10.023 892 HD13 ILE 116 HD13 ILE 116 -8.801 -4.196 -11.746 893 H SER 117 HN SER 117 -3.843 -2.545 -11.634 894 HA SER 117 HA SER 117 -1.829 -3.575 -13.476 895 HB2 SER 117 HB2 SER 117 -3.690 -2.304 -14.561 896 HB3 SER 117 HB1 SER 117 -3.290 -0.912 -13.563 897 HG SER 117 HG SER 117 -1.246 -2.052 -15.072 898 HA PRO 118 HA PRO 118 0.661 -1.580 -10.210 899 HB2 PRO 118 HB2 PRO 118 2.838 -3.214 -11.270 900 HB3 PRO 118 HB1 PRO 118 2.119 -3.252 -9.658 901 HG2 PRO 118 HG2 PRO 118 1.797 -5.268 -11.446 902 HG3 PRO 118 HG1 PRO 118 0.562 -4.845 -10.249 903 HD2 PRO 118 HD2 PRO 118 0.708 -4.150 -13.145 904 HD3 PRO 118 HD1 PRO 118 -0.689 -4.674 -12.177 905 H ILE 119 HN ILE 119 0.786 0.403 -11.132 906 HA ILE 119 HA ILE 119 2.535 0.787 -13.451 907 HB ILE 119 HB ILE 119 0.711 2.790 -12.088 908 HG12 ILE 119 HG12 ILE 119 0.289 1.299 -14.696 909 HG13 ILE 119 HG11 ILE 119 -0.501 0.901 -13.175 910 HG21 ILE 119 HG21 ILE 119 2.561 3.884 -13.244 911 HG22 ILE 119 HG22 ILE 119 1.051 4.168 -14.106 912 HG23 ILE 119 HG23 ILE 119 2.200 2.977 -14.714 913 HD11 ILE 119 HD11 ILE 119 -0.809 3.485 -14.698 914 HD12 ILE 119 HD12 ILE 119 -1.614 3.081 -13.183 915 HD13 ILE 119 HD13 ILE 119 -1.974 2.162 -14.642 916 H SER 120 HN SER 120 2.009 2.157 -10.191 917 HA SER 120 HA SER 120 4.456 3.606 -10.374 918 HB2 SER 120 HB2 SER 120 2.519 4.558 -9.216 919 HB3 SER 120 HB1 SER 120 2.565 3.246 -8.041 920 HG SER 120 HG SER 120 4.980 4.407 -8.204 921 H LEU 121 HN LEU 121 3.345 0.719 -8.610 922 HA LEU 121 HA LEU 121 5.937 0.469 -7.398 923 HB2 LEU 121 HB2 LEU 121 3.518 -1.323 -7.198 924 HB3 LEU 121 HB1 LEU 121 4.972 -1.458 -6.240 925 HG LEU 121 HG LEU 121 3.459 -0.525 -4.817 926 HD11 LEU 121 HD11 LEU 121 5.512 0.720 -4.691 927 HD12 LEU 121 HD12 LEU 121 4.139 1.756 -4.333 928 HD13 LEU 121 HD13 LEU 121 4.921 1.850 -5.908 929 HD21 LEU 121 HD21 LEU 121 1.950 1.361 -5.306 930 HD22 LEU 121 HD22 LEU 121 1.658 -0.041 -6.339 931 HD23 LEU 121 HD23 LEU 121 2.527 1.352 -6.973 932 HA PRO 122 HA PRO 122 7.582 -2.297 -10.473 933 HB2 PRO 122 HB2 PRO 122 9.191 -3.819 -8.817 934 HB3 PRO 122 HB1 PRO 122 9.644 -2.236 -9.454 935 HG2 PRO 122 HG2 PRO 122 8.521 -2.958 -6.779 936 HG3 PRO 122 HG1 PRO 122 9.798 -1.797 -7.175 937 HD2 PRO 122 HD2 PRO 122 7.312 -0.996 -6.606 938 HD3 PRO 122 HD1 PRO 122 8.284 -0.168 -7.840 939 H CYS 123 HN CYS 123 6.212 -3.548 -7.492 940 HA CYS 123 HA CYS 123 5.601 -6.068 -8.831 941 HB2 CYS 123 HB2 CYS 123 5.299 -6.961 -6.559 942 HB3 CYS 123 HB1 CYS 123 6.938 -6.364 -6.824 943 HG CYS 123 HG CYS 123 4.489 -5.143 -4.842 944 H CYS 124 HN CYS 124 3.451 -7.013 -8.029 945 HA CYS 124 HA CYS 124 1.373 -5.124 -8.420 946 HB2 CYS 124 HB2 CYS 124 1.104 -7.906 -7.258 947 HB3 CYS 124 HB1 CYS 124 -0.094 -6.979 -8.142 948 HG CYS 124 HG CYS 124 0.754 -7.477 -10.618 949 H LEU 125 HN LEU 125 0.205 -4.031 -6.911 950 HA LEU 125 HA LEU 125 1.277 -3.966 -4.235 951 HB2 LEU 125 HB2 LEU 125 0.637 -1.927 -5.576 952 HB3 LEU 125 HB1 LEU 125 -1.036 -2.421 -5.414 953 HG LEU 125 HG LEU 125 -0.796 -2.206 -2.935 954 HD11 LEU 125 HD11 LEU 125 1.618 -2.487 -2.782 955 HD12 LEU 125 HD12 LEU 125 1.104 -0.967 -2.062 956 HD13 LEU 125 HD13 LEU 125 1.852 -0.970 -3.655 957 HD21 LEU 125 HD21 LEU 125 -0.851 0.233 -2.910 958 HD22 LEU 125 HD22 LEU 125 -1.780 -0.402 -4.273 959 HD23 LEU 125 HD23 LEU 125 -0.169 0.277 -4.532 960 H ARG 126 HN ARG 126 0.310 -4.879 -2.457 961 HA ARG 126 HA ARG 126 -2.417 -5.865 -2.770 962 HB2 ARG 126 HB2 ARG 126 -0.870 -7.723 -3.274 963 HB3 ARG 126 HB1 ARG 126 -0.082 -7.485 -1.726 964 HG2 ARG 126 HG2 ARG 126 -1.579 -9.394 -1.645 965 HG3 ARG 126 HG1 ARG 126 -2.152 -8.112 -0.576 966 HD2 ARG 126 HD2 ARG 126 -3.988 -9.147 -1.833 967 HD3 ARG 126 HD1 ARG 126 -3.810 -7.443 -2.237 968 HE ARG 126 HE ARG 126 -2.316 -8.889 -4.075 969 HH11 ARG 126 HH11 ARG 126 -5.772 -8.541 -3.237 970 HH12 ARG 126 HH12 ARG 126 -6.305 -8.974 -4.788 971 HH21 ARG 126 HH21 ARG 126 -3.105 -9.438 -6.224 972 HH22 ARG 126 HH22 ARG 126 -4.782 -9.496 -6.497 973 H ILE 127 HN ILE 127 -3.622 -5.329 -1.090 974 HA ILE 127 HA ILE 127 -2.629 -3.923 1.145 975 HB ILE 127 HB ILE 127 -5.324 -5.313 0.809 976 HG12 ILE 127 HG12 ILE 127 -6.198 -2.936 0.466 977 HG13 ILE 127 HG11 ILE 127 -4.528 -2.442 0.272 978 HG21 ILE 127 HG21 ILE 127 -6.143 -3.836 2.594 979 HG22 ILE 127 HG22 ILE 127 -4.501 -3.226 2.808 980 HG23 ILE 127 HG23 ILE 127 -4.860 -4.918 3.143 981 HD11 ILE 127 HD11 ILE 127 -5.694 -2.694 -1.860 982 HD12 ILE 127 HD12 ILE 127 -5.991 -4.396 -1.511 983 HD13 ILE 127 HD13 ILE 127 -4.338 -3.810 -1.730 984 HA PRO 128 HA PRO 128 -1.154 -7.552 3.342 985 HB2 PRO 128 HB2 PRO 128 -1.304 -5.829 5.737 986 HB3 PRO 128 HB1 PRO 128 0.092 -6.677 5.068 987 HG2 PRO 128 HG2 PRO 128 -0.161 -4.008 4.881 988 HG3 PRO 128 HG1 PRO 128 0.586 -4.965 3.595 989 HD2 PRO 128 HD2 PRO 128 -2.130 -3.745 3.720 990 HD3 PRO 128 HD1 PRO 128 -1.023 -3.936 2.341 991 H SER 129 HN SER 129 -3.522 -5.465 5.023 992 HA SER 129 HA SER 129 -5.219 -5.753 6.299 993 HB2 SER 129 HB2 SER 129 -6.918 -7.313 5.549 994 HB3 SER 129 HB1 SER 129 -6.245 -6.265 4.303 995 HG SER 129 HG SER 129 -4.815 -8.472 4.279 996 H LYS 130 HN LYS 130 -2.858 -7.325 6.888 997 HA LYS 130 HA LYS 130 -3.689 -8.405 9.350 998 HB2 LYS 130 HB2 LYS 130 -4.343 -10.318 7.827 999 HB3 LYS 130 HB1 LYS 130 -2.682 -10.429 7.292 1000 HG2 LYS 130 HG2 LYS 130 -3.524 -10.869 10.169 1001 HG3 LYS 130 HG1 LYS 130 -3.423 -12.164 8.984 1002 HD2 LYS 130 HD2 LYS 130 -1.065 -11.797 8.703 1003 HD3 LYS 130 HD1 LYS 130 -1.125 -10.352 9.704 1004 HE2 LYS 130 HE2 LYS 130 -1.801 -11.783 11.621 1005 HE3 LYS 130 HE1 LYS 130 -1.567 -13.198 10.590 1006 HZ1 LYS 130 HZ1 LYS 130 0.741 -12.640 10.347 1007 HZ2 LYS 130 HZ2 LYS 130 0.388 -12.670 11.995 1008 HZ3 LYS 130 HZ3 LYS 130 0.535 -11.190 11.182 1009 H ASP 131 HN ASP 131 -2.112 -7.624 10.538 1010 HA ASP 131 HA ASP 131 0.618 -7.560 9.528 1011 HB2 ASP 131 HB2 ASP 131 -0.635 -6.393 12.027 1012 HB3 ASP 131 HB1 ASP 131 1.090 -6.343 11.693
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