NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6541 | 1j6y | 4670 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H HIS 1 HT1 HIS 1 23.104 16.795 2.504 2 2H HIS 1 HT2 HIS 1 22.624 15.256 3.039 3 3H HIS 1 HT3 HIS 1 23.154 15.476 1.440 4 HA HIS 1 HA HIS 1 25.352 15.507 2.004 5 1HB HIS 1 HB2 HIS 1 24.552 17.519 3.522 6 2HB HIS 1 HB1 HIS 1 24.715 16.338 4.821 7 HD1 HIS 1 HD1 HIS 1 26.977 16.420 1.798 8 HD2 HIS 1 HD2 HIS 1 27.134 17.357 5.857 9 HE1 HIS 1 HE1 HIS 1 29.410 16.867 2.336 10 H MET 2 HN MET 2 26.289 13.534 2.441 11 HA MET 2 HA MET 2 25.885 12.046 4.872 12 1HB MET 2 HB2 MET 2 24.501 10.218 3.814 13 2HB MET 2 HB1 MET 2 23.647 11.754 3.977 14 1HG MET 2 HG2 MET 2 25.157 11.463 1.459 15 2HG MET 2 HG1 MET 2 23.821 10.327 1.643 16 1HE MET 2 HE1 MET 2 20.676 12.273 1.691 17 2HE MET 2 HE2 MET 2 21.533 11.187 2.782 18 3HE MET 2 HE3 MET 2 21.497 10.841 1.055 19 H ALA 3 HN ALA 3 27.019 9.935 4.777 20 HA ALA 3 HA ALA 3 29.155 9.947 2.703 21 1HB ALA 3 HB1 ALA 3 29.750 9.934 5.092 22 2HB ALA 3 HB2 ALA 3 30.258 8.425 4.333 23 3HB ALA 3 HB3 ALA 3 28.804 8.466 5.330 24 H SER 4 HN SER 4 26.538 7.924 3.979 25 HA SER 4 HA SER 4 26.962 6.058 1.668 26 1HB SER 4 HB2 SER 4 27.450 5.530 4.342 27 2HB SER 4 HB1 SER 4 25.823 4.893 4.112 28 HG SER 4 HG SER 4 28.238 4.034 3.108 29 H ARG 5 HN ARG 5 24.694 4.433 2.308 30 HA ARG 5 HA ARG 5 22.530 6.322 1.535 31 1HB ARG 5 HB2 ARG 5 21.338 4.053 1.145 32 2HB ARG 5 HB1 ARG 5 22.660 4.490 0.075 33 1HG ARG 5 HG2 ARG 5 23.489 3.044 2.512 34 2HG ARG 5 HG1 ARG 5 22.480 2.107 1.412 35 1HD ARG 5 HD2 ARG 5 24.010 2.434 -0.416 36 2HD ARG 5 HD1 ARG 5 24.933 3.643 0.497 37 HE ARG 5 HE ARG 5 25.540 1.801 2.092 38 1HH1 ARG 5 HH11 ARG 5 26.534 1.292 -0.805 39 2HH1 ARG 5 HH12 ARG 5 26.218 -0.405 -0.942 40 1HH2 ARG 5 HH21 ARG 5 24.143 -0.512 1.833 41 2HH2 ARG 5 HH22 ARG 5 24.865 -1.426 0.550 42 H ASP 6 HN ASP 6 20.397 6.048 2.508 43 HA ASP 6 HA ASP 6 20.127 4.702 5.081 44 1HB ASP 6 HB2 ASP 6 19.590 7.150 5.983 45 2HB ASP 6 HB1 ASP 6 21.218 6.499 6.022 46 H GLN 7 HN GLN 7 18.652 7.717 3.947 47 HA GLN 7 HA GLN 7 16.005 7.315 4.467 48 1HB GLN 7 HB2 GLN 7 16.492 9.346 3.487 49 2HB GLN 7 HB1 GLN 7 17.573 8.630 2.297 50 1HG GLN 7 HG2 GLN 7 14.761 7.824 1.969 51 2HG GLN 7 HG1 GLN 7 15.035 9.552 1.769 52 1HE2 GLN 7 HE21 GLN 7 15.791 6.371 0.421 53 2HE2 GLN 7 HE22 GLN 7 16.517 6.950 -1.000 54 H VAL 8 HN VAL 8 14.173 6.363 3.309 55 HA VAL 8 HA VAL 8 14.989 4.107 1.497 56 HB VAL 8 HB VAL 8 14.206 3.192 3.536 57 1HG1 VAL 8 HG11 VAL 8 12.103 4.041 4.621 58 2HG1 VAL 8 HG12 VAL 8 12.072 5.333 3.425 59 3HG1 VAL 8 HG13 VAL 8 13.404 5.232 4.577 60 1HG2 VAL 8 HG21 VAL 8 12.960 2.397 1.436 61 2HG2 VAL 8 HG22 VAL 8 11.631 3.431 1.957 62 3HG2 VAL 8 HG23 VAL 8 12.153 2.088 2.974 63 H LYS 9 HN LYS 9 14.312 4.467 -0.584 64 HA LYS 9 HA LYS 9 11.960 6.199 -1.115 65 1HB LYS 9 HB2 LYS 9 14.032 4.794 -2.831 66 2HB LYS 9 HB1 LYS 9 12.688 5.722 -3.493 67 1HG LYS 9 HG2 LYS 9 13.745 7.428 -1.602 68 2HG LYS 9 HG1 LYS 9 15.176 6.676 -2.288 69 1HD LYS 9 HD2 LYS 9 13.170 8.481 -3.576 70 2HD LYS 9 HD1 LYS 9 14.915 8.437 -3.765 71 1HE LYS 9 HE2 LYS 9 14.000 5.975 -4.805 72 2HE LYS 9 HE1 LYS 9 12.884 7.210 -5.420 73 1HZ LYS 9 HZ1 LYS 9 14.835 7.087 -6.826 74 2HZ LYS 9 HZ2 LYS 9 15.854 7.338 -5.489 75 3HZ LYS 9 HZ3 LYS 9 14.810 8.573 -6.008 76 H ALA 10 HN ALA 10 10.211 5.227 -2.620 77 HA ALA 10 HA ALA 10 10.039 2.431 -3.168 78 1HB ALA 10 HB1 ALA 10 9.858 3.150 -0.405 79 2HB ALA 10 HB2 ALA 10 9.727 1.543 -1.120 80 3HB ALA 10 HB3 ALA 10 8.285 2.537 -0.915 81 H SER 11 HN SER 11 7.794 1.671 -3.592 82 HA SER 11 HA SER 11 5.888 3.931 -4.061 83 1HB SER 11 HB2 SER 11 5.536 3.133 -6.216 84 2HB SER 11 HB1 SER 11 7.201 2.603 -5.994 85 HG SER 11 HG SER 11 5.109 1.116 -6.496 86 H HIS 12 HN HIS 12 3.535 2.770 -4.472 87 HA HIS 12 HA HIS 12 3.089 0.269 -3.071 88 1HB HIS 12 HB2 HIS 12 2.421 1.075 -0.921 89 2HB HIS 12 HB1 HIS 12 3.948 1.873 -1.278 90 HD1 HIS 12 HD1 HIS 12 1.575 3.011 0.580 91 HD2 HIS 12 HD2 HIS 12 2.444 4.184 -3.324 92 HE1 HIS 12 HE1 HIS 12 0.611 5.335 0.300 93 H ILE 13 HN ILE 13 0.709 0.091 -2.344 94 HA ILE 13 HA ILE 13 -1.142 1.837 -3.909 95 HB ILE 13 HB ILE 13 -0.724 -1.152 -4.078 96 1HG1 ILE 13 HG12 ILE 13 -0.838 1.166 -6.005 97 2HG1 ILE 13 HG11 ILE 13 0.454 -0.012 -5.781 98 1HG2 ILE 13 HG21 ILE 13 -3.198 0.382 -4.915 99 2HG2 ILE 13 HG22 ILE 13 -3.116 -0.829 -3.634 100 3HG2 ILE 13 HG23 ILE 13 -2.864 -1.301 -5.313 101 1HD1 ILE 13 HD11 ILE 13 -1.470 -1.721 -6.501 102 2HD1 ILE 13 HD12 ILE 13 -0.510 -0.866 -7.707 103 3HD1 ILE 13 HD13 ILE 13 -2.119 -0.282 -7.288 104 H LEU 14 HN LEU 14 -3.529 1.127 -3.191 105 HA LEU 14 HA LEU 14 -3.561 0.187 -0.355 106 1HB LEU 14 HB2 LEU 14 -3.362 2.587 -0.202 107 2HB LEU 14 HB1 LEU 14 -4.584 2.820 -1.448 108 HG LEU 14 HG LEU 14 -6.053 1.386 0.280 109 1HD1 LEU 14 HD11 LEU 14 -5.461 1.627 2.512 110 2HD1 LEU 14 HD12 LEU 14 -4.445 3.034 2.197 111 3HD1 LEU 14 HD13 LEU 14 -3.878 1.420 1.765 112 1HD2 LEU 14 HD21 LEU 14 -5.610 4.302 0.894 113 2HD2 LEU 14 HD22 LEU 14 -7.125 3.401 0.844 114 3HD2 LEU 14 HD23 LEU 14 -6.295 3.811 -0.656 115 H ILE 15 HN ILE 15 -5.316 -1.133 0.020 116 HA ILE 15 HA ILE 15 -7.380 -1.331 -2.123 117 HB ILE 15 HB ILE 15 -5.931 -3.139 -0.393 118 1HG1 ILE 15 HG12 ILE 15 -7.794 -3.322 -2.752 119 2HG1 ILE 15 HG11 ILE 15 -6.064 -3.650 -2.680 120 1HG2 ILE 15 HG21 ILE 15 -7.736 -4.573 0.396 121 2HG2 ILE 15 HG22 ILE 15 -8.944 -3.495 -0.304 122 3HG2 ILE 15 HG23 ILE 15 -7.968 -2.955 1.062 123 1HD1 ILE 15 HD11 ILE 15 -6.795 -5.555 -1.007 124 2HD1 ILE 15 HD12 ILE 15 -6.931 -5.814 -2.746 125 3HD1 ILE 15 HD13 ILE 15 -8.358 -5.380 -1.805 126 H LYS 16 HN LYS 16 -9.660 -1.935 -1.097 127 HA LYS 16 HA LYS 16 -10.251 0.181 0.925 128 1HB LYS 16 HB2 LYS 16 -12.506 0.056 0.012 129 2HB LYS 16 HB1 LYS 16 -11.363 0.143 -1.328 130 1HG LYS 16 HG2 LYS 16 -11.443 -2.489 -1.175 131 2HG LYS 16 HG1 LYS 16 -12.987 -2.192 -0.375 132 1HD LYS 16 HD2 LYS 16 -12.563 -0.604 -2.825 133 2HD LYS 16 HD1 LYS 16 -12.662 -2.344 -3.094 134 1HE LYS 16 HE2 LYS 16 -14.786 -2.339 -1.689 135 2HE LYS 16 HE1 LYS 16 -14.728 -0.566 -1.763 136 1HZ LYS 16 HZ1 LYS 16 -14.692 -2.402 -4.101 137 2HZ LYS 16 HZ2 LYS 16 -14.597 -0.707 -4.176 138 3HZ LYS 16 HZ3 LYS 16 -16.013 -1.457 -3.611 139 H HIS 17 HN HIS 17 -11.227 -0.344 2.885 140 HA HIS 17 HA HIS 17 -12.381 -2.973 3.413 141 1HB HIS 17 HB2 HIS 17 -10.644 -3.806 4.840 142 2HB HIS 17 HB1 HIS 17 -9.836 -3.260 3.376 143 HD1 HIS 17 HD1 HIS 17 -10.434 -0.140 4.546 144 HD2 HIS 17 HD2 HIS 17 -8.081 -3.186 6.147 145 HE1 HIS 17 HE1 HIS 17 -8.759 0.979 6.076 146 H GLN 18 HN GLN 18 -12.232 -3.037 6.159 147 HA GLN 18 HA GLN 18 -14.109 -1.085 7.009 148 1HB GLN 18 HB2 GLN 18 -12.233 -3.038 8.302 149 2HB GLN 18 HB1 GLN 18 -13.145 -1.922 9.319 150 1HG GLN 18 HG2 GLN 18 -14.893 -3.046 7.322 151 2HG GLN 18 HG1 GLN 18 -14.063 -4.344 8.181 152 1HE2 GLN 18 HE21 GLN 18 -16.442 -4.647 9.006 153 2HE2 GLN 18 HE22 GLN 18 -16.869 -3.784 10.404 154 H GLY 19 HN GLY 19 -10.655 -1.311 7.903 155 1HA GLY 19 HA2 GLY 19 -9.095 0.404 8.327 156 2HA GLY 19 HA1 GLY 19 -10.251 1.548 7.645 157 H SER 20 HN SER 20 -10.227 3.109 9.263 158 HA SER 20 HA SER 20 -11.323 2.244 11.911 159 1HB SER 20 HB2 SER 20 -8.901 2.480 12.105 160 2HB SER 20 HB1 SER 20 -8.964 4.063 11.335 161 HG SER 20 HG SER 20 -8.888 4.049 13.696 162 H ARG 21 HN ARG 21 -12.215 3.796 9.336 163 HA ARG 21 HA ARG 21 -13.554 5.993 10.842 164 1HB ARG 21 HB2 ARG 21 -11.377 6.241 8.977 165 2HB ARG 21 HB1 ARG 21 -12.816 6.988 8.281 166 1HG ARG 21 HG2 ARG 21 -12.903 8.629 9.876 167 2HG ARG 21 HG1 ARG 21 -12.294 7.568 11.148 168 1HD ARG 21 HD2 ARG 21 -10.093 8.062 10.688 169 2HD ARG 21 HD1 ARG 21 -10.392 8.236 8.947 170 HE ARG 21 HE ARG 21 -11.774 10.355 9.855 171 1HH1 ARG 21 HH11 ARG 21 -8.535 9.624 9.590 172 2HH1 ARG 21 HH12 ARG 21 -7.965 10.918 10.591 173 1HH2 ARG 21 HH21 ARG 21 -11.133 11.819 11.681 174 2HH2 ARG 21 HH22 ARG 21 -9.437 12.161 11.775 175 H ARG 22 HN ARG 22 -13.326 5.386 7.348 176 HA ARG 22 HA ARG 22 -16.179 4.474 7.367 177 1HB ARG 22 HB2 ARG 22 -15.928 5.960 5.044 178 2HB ARG 22 HB1 ARG 22 -16.661 6.539 6.536 179 1HG ARG 22 HG2 ARG 22 -14.497 7.461 7.261 180 2HG ARG 22 HG1 ARG 22 -13.733 6.848 5.794 181 1HD ARG 22 HD2 ARG 22 -14.212 8.960 5.010 182 2HD ARG 22 HD1 ARG 22 -15.817 8.258 4.723 183 HE ARG 22 HE ARG 22 -16.491 9.132 6.957 184 1HH1 ARG 22 HH11 ARG 22 -13.438 9.589 7.584 185 2HH1 ARG 22 HH12 ARG 22 -13.419 11.320 7.636 186 1HH2 ARG 22 HH21 ARG 22 -16.531 11.664 6.147 187 2HH2 ARG 22 HH22 ARG 22 -15.169 12.494 6.823 188 H LYS 23 HN LYS 23 -14.050 5.194 4.622 189 HA LYS 23 HA LYS 23 -13.757 2.265 4.103 190 1HB LYS 23 HB2 LYS 23 -14.427 2.797 1.714 191 2HB LYS 23 HB1 LYS 23 -15.727 2.973 2.893 192 1HG LYS 23 HG2 LYS 23 -15.068 5.437 3.046 193 2HG LYS 23 HG1 LYS 23 -14.082 5.159 1.610 194 1HD LYS 23 HD2 LYS 23 -16.092 5.850 0.654 195 2HD LYS 23 HD1 LYS 23 -16.288 4.097 0.651 196 1HE LYS 23 HE2 LYS 23 -18.289 4.651 1.672 197 2HE LYS 23 HE1 LYS 23 -17.265 4.653 3.122 198 1HZ LYS 23 HZ1 LYS 23 -18.401 6.886 1.670 199 2HZ LYS 23 HZ2 LYS 23 -16.765 7.078 2.086 200 3HZ LYS 23 HZ3 LYS 23 -17.923 6.782 3.293 201 H ALA 24 HN ALA 24 -12.886 5.558 2.981 202 HA ALA 24 HA ALA 24 -10.071 5.168 3.189 203 1HB ALA 24 HB1 ALA 24 -9.929 3.616 1.506 204 2HB ALA 24 HB2 ALA 24 -9.976 5.045 0.473 205 3HB ALA 24 HB3 ALA 24 -11.451 4.127 0.775 206 H SER 25 HN SER 25 -12.203 7.244 3.412 207 HA SER 25 HA SER 25 -12.602 9.502 2.784 208 1HB SER 25 HB2 SER 25 -10.584 10.744 3.045 209 2HB SER 25 HB1 SER 25 -10.334 9.272 3.980 210 HG SER 25 HG SER 25 -8.953 8.554 2.502 211 H TRP 26 HN TRP 26 -13.077 7.843 0.568 212 HA TRP 26 HA TRP 26 -11.666 9.181 -1.704 213 1HB TRP 26 HB2 TRP 26 -12.487 6.521 -1.065 214 2HB TRP 26 HB1 TRP 26 -13.405 7.038 -2.479 215 HD1 TRP 26 HD1 TRP 26 -9.719 7.385 -1.321 216 HE1 TRP 26 HE1 TRP 26 -8.201 6.907 -3.349 217 HE3 TRP 26 HE3 TRP 26 -13.264 6.474 -4.882 218 HZ2 TRP 26 HZ2 TRP 26 -8.456 6.229 -6.117 219 HZ3 TRP 26 HZ3 TRP 26 -12.600 5.914 -7.204 220 HH2 TRP 26 HH2 TRP 26 -10.203 5.791 -7.825 221 H LYS 27 HN LYS 27 -13.404 9.108 -3.715 222 HA LYS 27 HA LYS 27 -15.564 10.941 -2.860 223 1HB LYS 27 HB2 LYS 27 -15.730 11.345 -5.279 224 2HB LYS 27 HB1 LYS 27 -14.042 11.413 -4.774 225 1HG LYS 27 HG2 LYS 27 -14.292 8.758 -5.337 226 2HG LYS 27 HG1 LYS 27 -15.409 9.451 -6.513 227 1HD LYS 27 HD2 LYS 27 -13.588 11.046 -7.199 228 2HD LYS 27 HD1 LYS 27 -12.486 10.159 -6.145 229 1HE LYS 27 HE2 LYS 27 -12.184 9.208 -8.329 230 2HE LYS 27 HE1 LYS 27 -13.210 8.050 -7.460 231 1HZ LYS 27 HZ1 LYS 27 -14.276 10.286 -9.095 232 2HZ LYS 27 HZ2 LYS 27 -15.153 9.004 -8.407 233 3HZ LYS 27 HZ3 LYS 27 -14.078 8.710 -9.690 234 H ASP 28 HN ASP 28 -16.734 9.087 -1.751 235 HA ASP 28 HA ASP 28 -18.284 7.449 -3.734 236 1HB ASP 28 HB2 ASP 28 -17.009 6.921 -1.094 237 2HB ASP 28 HB1 ASP 28 -18.555 6.126 -1.392 238 HA PRO 29 HA PRO 29 -21.935 9.319 -2.160 239 1HB PRO 29 HB2 PRO 29 -23.717 7.249 -2.274 240 2HB PRO 29 HB1 PRO 29 -23.110 8.075 -3.724 241 1HG PRO 29 HG2 PRO 29 -22.306 5.463 -2.556 242 2HG PRO 29 HG1 PRO 29 -22.459 5.942 -4.253 243 1HD PRO 29 HD2 PRO 29 -20.071 5.756 -2.917 244 2HD PRO 29 HD1 PRO 29 -20.342 6.796 -4.332 245 H GLU 30 HN GLU 30 -21.795 9.802 0.051 246 HA GLU 30 HA GLU 30 -21.211 8.173 2.206 247 1HB GLU 30 HB2 GLU 30 -22.374 9.824 3.542 248 2HB GLU 30 HB1 GLU 30 -21.683 10.661 2.154 249 1HG GLU 30 HG2 GLU 30 -24.542 9.657 2.264 250 2HG GLU 30 HG1 GLU 30 -24.063 11.307 2.653 251 H GLY 31 HN GLY 31 -24.331 8.491 0.565 252 1HA GLY 31 HA2 GLY 31 -26.424 7.438 1.214 253 2HA GLY 31 HA1 GLY 31 -25.484 6.154 0.463 254 H LYS 32 HN LYS 32 -24.873 4.424 1.703 255 HA LYS 32 HA LYS 32 -24.992 4.604 4.661 256 1HB LYS 32 HB2 LYS 32 -27.260 4.009 3.372 257 2HB LYS 32 HB1 LYS 32 -26.533 2.402 3.348 258 1HG LYS 32 HG2 LYS 32 -27.687 2.366 5.378 259 2HG LYS 32 HG1 LYS 32 -26.076 2.871 5.889 260 1HD LYS 32 HD2 LYS 32 -27.641 5.165 5.067 261 2HD LYS 32 HD1 LYS 32 -28.487 4.254 6.319 262 1HE LYS 32 HE2 LYS 32 -27.061 5.032 7.895 263 2HE LYS 32 HE1 LYS 32 -25.669 4.439 6.968 264 1HZ LYS 32 HZ1 LYS 32 -27.167 6.938 6.379 265 2HZ LYS 32 HZ2 LYS 32 -25.793 6.373 5.554 266 3HZ LYS 32 HZ3 LYS 32 -25.670 6.876 7.173 267 H ILE 33 HN ILE 33 -23.361 3.345 5.489 268 HA ILE 33 HA ILE 33 -21.445 1.982 3.942 269 HB ILE 33 HB ILE 33 -21.305 2.748 6.333 270 1HG1 ILE 33 HG12 ILE 33 -20.098 0.614 7.132 271 2HG1 ILE 33 HG11 ILE 33 -20.575 -0.090 5.586 272 1HG2 ILE 33 HG21 ILE 33 -23.520 1.825 7.011 273 2HG2 ILE 33 HG22 ILE 33 -22.219 1.296 8.078 274 3HG2 ILE 33 HG23 ILE 33 -22.860 0.196 6.858 275 1HD1 ILE 33 HD11 ILE 33 -18.601 2.065 6.159 276 2HD1 ILE 33 HD12 ILE 33 -19.561 2.235 4.689 277 3HD1 ILE 33 HD13 ILE 33 -18.562 0.802 4.930 278 H ILE 34 HN ILE 34 -21.293 -0.116 3.156 279 HA ILE 34 HA ILE 34 -23.607 -1.948 3.703 280 HB ILE 34 HB ILE 34 -23.459 -0.877 1.420 281 1HG1 ILE 34 HG12 ILE 34 -22.918 -3.792 1.027 282 2HG1 ILE 34 HG11 ILE 34 -24.270 -3.341 2.066 283 1HG2 ILE 34 HG21 ILE 34 -20.863 -1.034 1.516 284 2HG2 ILE 34 HG22 ILE 34 -21.659 -1.338 -0.029 285 3HG2 ILE 34 HG23 ILE 34 -21.096 -2.690 0.954 286 1HD1 ILE 34 HD11 ILE 34 -25.495 -3.043 0.200 287 2HD1 ILE 34 HD12 ILE 34 -24.075 -3.235 -0.827 288 3HD1 ILE 34 HD13 ILE 34 -24.476 -1.650 -0.165 289 H LEU 35 HN LEU 35 -22.938 -4.314 3.218 290 HA LEU 35 HA LEU 35 -20.577 -4.952 4.799 291 1HB LEU 35 HB2 LEU 35 -22.747 -6.418 3.321 292 2HB LEU 35 HB1 LEU 35 -21.351 -7.313 3.924 293 HG LEU 35 HG LEU 35 -22.191 -5.567 6.007 294 1HD1 LEU 35 HD11 LEU 35 -24.360 -5.738 4.523 295 2HD1 LEU 35 HD12 LEU 35 -24.481 -5.932 6.272 296 3HD1 LEU 35 HD13 LEU 35 -24.477 -7.352 5.226 297 1HD2 LEU 35 HD21 LEU 35 -22.358 -7.601 7.246 298 2HD2 LEU 35 HD22 LEU 35 -21.096 -7.887 6.047 299 3HD2 LEU 35 HD23 LEU 35 -22.716 -8.539 5.796 300 H THR 36 HN THR 36 -18.537 -5.094 3.983 301 HA THR 36 HA THR 36 -18.074 -6.230 1.294 302 HB THR 36 HB THR 36 -16.879 -3.541 1.889 303 HG1 THR 36 HG1 THR 36 -18.991 -3.054 0.499 304 1HG2 THR 36 HG21 THR 36 -16.745 -5.315 -0.222 305 2HG2 THR 36 HG22 THR 36 -16.346 -3.600 -0.311 306 3HG2 THR 36 HG23 THR 36 -17.956 -4.155 -0.770 307 H THR 37 HN THR 37 -15.360 -5.276 1.139 308 HA THR 37 HA THR 37 -13.925 -7.166 2.642 309 HB THR 37 HB THR 37 -13.171 -4.427 1.573 310 HG1 THR 37 HG1 THR 37 -12.747 -5.495 -0.225 311 1HG2 THR 37 HG21 THR 37 -11.508 -6.632 2.778 312 2HG2 THR 37 HG22 THR 37 -11.446 -4.901 3.108 313 3HG2 THR 37 HG23 THR 37 -10.825 -5.531 1.583 314 H THR 38 HN THR 38 -13.188 -7.217 4.757 315 HA THR 38 HA THR 38 -13.565 -4.746 6.417 316 HB THR 38 HB THR 38 -14.487 -6.151 8.144 317 HG1 THR 38 HG1 THR 38 -14.630 -8.514 7.416 318 1HG2 THR 38 HG21 THR 38 -15.731 -7.511 5.809 319 2HG2 THR 38 HG22 THR 38 -15.770 -5.748 5.815 320 3HG2 THR 38 HG23 THR 38 -16.493 -6.651 7.147 321 H ARG 39 HN ARG 39 -12.359 -5.300 8.687 322 HA ARG 39 HA ARG 39 -9.632 -5.121 8.430 323 1HB ARG 39 HB2 ARG 39 -11.550 -6.060 10.446 324 2HB ARG 39 HB1 ARG 39 -9.934 -6.733 10.665 325 1HG ARG 39 HG2 ARG 39 -10.034 -3.837 10.038 326 2HG ARG 39 HG1 ARG 39 -10.678 -4.297 11.615 327 1HD ARG 39 HD2 ARG 39 -8.622 -5.110 12.370 328 2HD ARG 39 HD1 ARG 39 -8.032 -5.426 10.726 329 HE ARG 39 HE ARG 39 -8.568 -2.620 11.038 330 1HH1 ARG 39 HH11 ARG 39 -6.112 -3.850 9.781 331 2HH1 ARG 39 HH12 ARG 39 -4.871 -3.360 10.886 332 1HH2 ARG 39 HH21 ARG 39 -7.089 -2.517 13.416 333 2HH2 ARG 39 HH22 ARG 39 -5.424 -2.605 12.946 334 H GLU 40 HN GLU 40 -10.847 -8.261 9.546 335 HA GLU 40 HA GLU 40 -8.673 -9.832 8.753 336 1HB GLU 40 HB2 GLU 40 -10.547 -10.583 10.151 337 2HB GLU 40 HB1 GLU 40 -11.642 -10.468 8.775 338 1HG GLU 40 HG2 GLU 40 -9.678 -12.054 7.737 339 2HG GLU 40 HG1 GLU 40 -9.658 -12.557 9.428 340 H ALA 41 HN ALA 41 -11.745 -9.769 6.926 341 HA ALA 41 HA ALA 41 -11.022 -10.989 4.578 342 1HB ALA 41 HB1 ALA 41 -12.932 -9.001 5.471 343 2HB ALA 41 HB2 ALA 41 -13.141 -10.273 4.267 344 3HB ALA 41 HB3 ALA 41 -12.474 -8.710 3.793 345 H ALA 42 HN ALA 42 -10.322 -7.593 5.402 346 HA ALA 42 HA ALA 42 -9.209 -6.669 3.012 347 1HB ALA 42 HB1 ALA 42 -9.560 -5.462 5.213 348 2HB ALA 42 HB2 ALA 42 -8.024 -5.102 4.425 349 3HB ALA 42 HB3 ALA 42 -8.075 -6.221 5.786 350 H VAL 43 HN VAL 43 -7.413 -8.281 5.651 351 HA VAL 43 HA VAL 43 -4.929 -8.503 4.301 352 HB VAL 43 HB VAL 43 -5.870 -9.042 6.769 353 1HG1 VAL 43 HG11 VAL 43 -5.746 -11.479 7.187 354 2HG1 VAL 43 HG12 VAL 43 -5.571 -11.761 5.455 355 3HG1 VAL 43 HG13 VAL 43 -7.068 -11.083 6.090 356 1HG2 VAL 43 HG21 VAL 43 -3.666 -9.279 7.184 357 2HG2 VAL 43 HG22 VAL 43 -3.426 -9.200 5.439 358 3HG2 VAL 43 HG23 VAL 43 -3.579 -10.765 6.238 359 H GLU 44 HN GLU 44 -7.816 -10.532 4.212 360 HA GLU 44 HA GLU 44 -6.684 -12.709 2.699 361 1HB GLU 44 HB2 GLU 44 -9.137 -11.930 3.896 362 2HB GLU 44 HB1 GLU 44 -9.489 -12.258 2.199 363 1HG GLU 44 HG2 GLU 44 -9.628 -14.418 2.933 364 2HG GLU 44 HG1 GLU 44 -7.874 -14.362 2.756 365 H GLN 45 HN GLN 45 -8.508 -9.791 1.792 366 HA GLN 45 HA GLN 45 -8.604 -10.244 -1.021 367 1HB GLN 45 HB2 GLN 45 -9.400 -8.321 0.838 368 2HB GLN 45 HB1 GLN 45 -8.263 -7.457 -0.198 369 1HG GLN 45 HG2 GLN 45 -10.342 -7.193 -1.292 370 2HG GLN 45 HG1 GLN 45 -9.560 -8.509 -2.170 371 1HE2 GLN 45 HE21 GLN 45 -11.142 -10.039 -2.653 372 2HE2 GLN 45 HE22 GLN 45 -12.328 -10.588 -1.569 373 H LEU 46 HN LEU 46 -6.151 -8.770 1.064 374 HA LEU 46 HA LEU 46 -4.412 -7.977 -1.143 375 1HB LEU 46 HB2 LEU 46 -4.674 -7.578 1.663 376 2HB LEU 46 HB1 LEU 46 -3.074 -8.268 1.391 377 HG LEU 46 HG LEU 46 -2.699 -6.540 -0.392 378 1HD1 LEU 46 HD11 LEU 46 -4.458 -4.528 0.216 379 2HD1 LEU 46 HD12 LEU 46 -5.496 -5.948 0.343 380 3HD1 LEU 46 HD13 LEU 46 -4.632 -5.618 -1.159 381 1HD2 LEU 46 HD21 LEU 46 -2.905 -4.576 1.472 382 2HD2 LEU 46 HD22 LEU 46 -1.630 -5.794 1.494 383 3HD2 LEU 46 HD23 LEU 46 -3.061 -5.996 2.505 384 H LYS 47 HN LYS 47 -4.649 -10.713 1.094 385 HA LYS 47 HA LYS 47 -2.233 -12.045 0.695 386 1HB LYS 47 HB2 LYS 47 -4.815 -12.571 1.691 387 2HB LYS 47 HB1 LYS 47 -4.504 -13.851 0.518 388 1HG LYS 47 HG2 LYS 47 -2.520 -14.541 1.641 389 2HG LYS 47 HG1 LYS 47 -2.484 -13.078 2.628 390 1HD LYS 47 HD2 LYS 47 -4.968 -14.666 2.849 391 2HD LYS 47 HD1 LYS 47 -3.522 -15.459 3.474 392 1HE LYS 47 HE2 LYS 47 -3.507 -12.703 4.317 393 2HE LYS 47 HE1 LYS 47 -5.054 -13.449 4.764 394 1HZ LYS 47 HZ1 LYS 47 -3.743 -14.189 6.469 395 2HZ LYS 47 HZ2 LYS 47 -2.329 -14.225 5.527 396 3HZ LYS 47 HZ3 LYS 47 -3.497 -15.447 5.358 397 H SER 48 HN SER 48 -5.091 -12.038 -1.419 398 HA SER 48 HA SER 48 -3.755 -13.707 -3.450 399 1HB SER 48 HB2 SER 48 -6.152 -12.492 -4.396 400 2HB SER 48 HB1 SER 48 -5.936 -14.151 -3.848 401 HG SER 48 HG SER 48 -7.369 -13.393 -2.433 402 H ILE 49 HN ILE 49 -4.509 -10.301 -2.884 403 HA ILE 49 HA ILE 49 -3.956 -9.349 -5.534 404 HB ILE 49 HB ILE 49 -4.903 -8.331 -3.174 405 1HG1 ILE 49 HG12 ILE 49 -5.381 -7.460 -5.412 406 2HG1 ILE 49 HG11 ILE 49 -4.905 -6.140 -4.343 407 1HG2 ILE 49 HG21 ILE 49 -2.114 -7.202 -3.561 408 2HG2 ILE 49 HG22 ILE 49 -2.704 -8.084 -2.153 409 3HG2 ILE 49 HG23 ILE 49 -3.348 -6.485 -2.525 410 1HD1 ILE 49 HD11 ILE 49 -2.506 -7.132 -5.448 411 2HD1 ILE 49 HD12 ILE 49 -3.297 -5.600 -5.821 412 3HD1 ILE 49 HD13 ILE 49 -3.649 -7.032 -6.788 413 H ARG 50 HN ARG 50 -1.904 -9.719 -2.649 414 HA ARG 50 HA ARG 50 0.544 -8.801 -3.864 415 1HB ARG 50 HB2 ARG 50 0.483 -8.911 -1.502 416 2HB ARG 50 HB1 ARG 50 -0.266 -10.508 -1.508 417 1HG ARG 50 HG2 ARG 50 1.850 -11.456 -2.430 418 2HG ARG 50 HG1 ARG 50 2.591 -9.861 -2.292 419 1HD ARG 50 HD2 ARG 50 3.148 -10.413 -0.162 420 2HD ARG 50 HD1 ARG 50 1.417 -10.363 0.228 421 HE ARG 50 HE ARG 50 1.347 -12.785 -0.550 422 1HH1 ARG 50 HH11 ARG 50 4.513 -11.815 -0.831 423 2HH1 ARG 50 HH12 ARG 50 5.183 -13.058 0.171 424 1HH2 ARG 50 HH21 ARG 50 2.108 -14.171 1.315 425 2HH2 ARG 50 HH22 ARG 50 3.824 -14.389 1.385 426 H GLU 51 HN GLU 51 -1.043 -11.941 -3.532 427 HA GLU 51 HA GLU 51 0.975 -13.610 -4.691 428 1HB GLU 51 HB2 GLU 51 -0.803 -14.629 -3.521 429 2HB GLU 51 HB1 GLU 51 -2.015 -13.631 -4.296 430 1HG GLU 51 HG2 GLU 51 -1.833 -16.118 -5.017 431 2HG GLU 51 HG1 GLU 51 -1.971 -14.892 -6.275 432 H ASP 52 HN ASP 52 -1.978 -12.224 -6.096 433 HA ASP 52 HA ASP 52 -1.485 -12.948 -8.800 434 1HB ASP 52 HB2 ASP 52 -3.281 -11.319 -7.263 435 2HB ASP 52 HB1 ASP 52 -2.755 -10.383 -8.663 436 H ILE 53 HN ILE 53 -0.750 -9.848 -7.138 437 HA ILE 53 HA ILE 53 0.738 -8.698 -9.301 438 HB ILE 53 HB ILE 53 0.675 -8.352 -6.294 439 1HG1 ILE 53 HG12 ILE 53 -0.349 -6.805 -8.687 440 2HG1 ILE 53 HG11 ILE 53 -1.290 -7.522 -7.379 441 1HG2 ILE 53 HG21 ILE 53 2.133 -6.442 -6.491 442 2HG2 ILE 53 HG22 ILE 53 2.171 -6.584 -8.248 443 3HG2 ILE 53 HG23 ILE 53 2.957 -7.805 -7.248 444 1HD1 ILE 53 HD11 ILE 53 -1.216 -5.488 -6.396 445 2HD1 ILE 53 HD12 ILE 53 0.039 -4.920 -7.497 446 3HD1 ILE 53 HD13 ILE 53 0.480 -5.834 -6.055 447 H VAL 54 HN VAL 54 1.469 -11.106 -6.897 448 HA VAL 54 HA VAL 54 4.355 -10.988 -7.061 449 HB VAL 54 HB VAL 54 2.209 -12.669 -5.896 450 1HG1 VAL 54 HG11 VAL 54 3.849 -14.498 -5.339 451 2HG1 VAL 54 HG12 VAL 54 4.937 -13.811 -6.545 452 3HG1 VAL 54 HG13 VAL 54 3.370 -14.454 -7.036 453 1HG2 VAL 54 HG21 VAL 54 4.923 -12.173 -4.731 454 2HG2 VAL 54 HG22 VAL 54 3.361 -12.279 -3.918 455 3HG2 VAL 54 HG23 VAL 54 3.773 -10.841 -4.853 456 H SER 55 HN SER 55 2.013 -13.368 -8.369 457 HA SER 55 HA SER 55 4.044 -14.199 -10.382 458 1HB SER 55 HB2 SER 55 1.456 -15.522 -10.454 459 2HB SER 55 HB1 SER 55 3.045 -16.212 -10.148 460 HG SER 55 HG SER 55 1.777 -16.426 -8.308 461 H GLY 56 HN GLY 56 3.761 -13.779 -12.568 462 1HA GLY 56 HA2 GLY 56 2.575 -13.190 -14.547 463 2HA GLY 56 HA1 GLY 56 1.176 -12.777 -13.553 464 H LYS 57 HN LYS 57 3.758 -11.491 -15.291 465 HA LYS 57 HA LYS 57 4.299 -9.104 -13.759 466 1HB LYS 57 HB2 LYS 57 5.692 -10.139 -15.592 467 2HB LYS 57 HB1 LYS 57 4.486 -9.575 -16.749 468 1HG LYS 57 HG2 LYS 57 5.748 -7.688 -16.834 469 2HG LYS 57 HG1 LYS 57 4.969 -7.294 -15.301 470 1HD LYS 57 HD2 LYS 57 6.876 -8.691 -14.222 471 2HD LYS 57 HD1 LYS 57 7.695 -8.493 -15.773 472 1HE LYS 57 HE2 LYS 57 8.470 -6.617 -14.590 473 2HE LYS 57 HE1 LYS 57 7.058 -5.940 -15.425 474 1HZ LYS 57 HZ1 LYS 57 5.843 -5.894 -13.542 475 2HZ LYS 57 HZ2 LYS 57 7.361 -5.854 -12.781 476 3HZ LYS 57 HZ3 LYS 57 6.520 -7.323 -12.928 477 H ALA 58 HN ALA 58 1.572 -9.263 -13.607 478 HA ALA 58 HA ALA 58 0.014 -8.072 -15.643 479 1HB ALA 58 HB1 ALA 58 -1.500 -7.606 -13.749 480 2HB ALA 58 HB2 ALA 58 -0.169 -7.868 -12.622 481 3HB ALA 58 HB3 ALA 58 -0.778 -9.208 -13.592 482 H ASN 59 HN ASN 59 -1.091 -5.783 -14.261 483 HA ASN 59 HA ASN 59 1.028 -3.786 -14.899 484 1HB ASN 59 HB2 ASN 59 -1.980 -3.839 -14.745 485 2HB ASN 59 HB1 ASN 59 -1.122 -2.299 -14.727 486 1HD2 ASN 59 HD21 ASN 59 -1.731 -5.201 -16.703 487 2HD2 ASN 59 HD22 ASN 59 -1.214 -4.515 -18.167 488 H PHE 60 HN PHE 60 0.067 -1.629 -13.425 489 HA PHE 60 HA PHE 60 -0.373 -2.244 -10.631 490 1HB PHE 60 HB2 PHE 60 1.992 -3.046 -11.128 491 2HB PHE 60 HB1 PHE 60 2.415 -1.358 -11.413 492 HD1 PHE 60 HD1 PHE 60 2.612 0.214 -9.593 493 HD2 PHE 60 HD2 PHE 60 1.262 -3.802 -8.879 494 HE1 PHE 60 HE1 PHE 60 2.894 0.552 -7.152 495 HE2 PHE 60 HE2 PHE 60 1.542 -3.462 -6.440 496 HZ PHE 60 HZ PHE 60 2.358 -1.286 -5.576 497 H GLU 61 HN GLU 61 1.402 0.106 -12.653 498 HA GLU 61 HA GLU 61 0.997 2.453 -11.244 499 1HB GLU 61 HB2 GLU 61 0.746 3.415 -13.702 500 2HB GLU 61 HB1 GLU 61 2.255 2.667 -13.189 501 1HG GLU 61 HG2 GLU 61 1.985 0.877 -14.573 502 2HG GLU 61 HG1 GLU 61 0.247 0.792 -14.286 503 H GLU 62 HN GLU 62 -1.123 2.037 -14.071 504 HA GLU 62 HA GLU 62 -3.210 3.676 -13.373 505 1HB GLU 62 HB2 GLU 62 -2.810 2.097 -15.396 506 2HB GLU 62 HB1 GLU 62 -3.705 0.900 -14.458 507 1HG GLU 62 HG2 GLU 62 -5.332 3.078 -14.201 508 2HG GLU 62 HG1 GLU 62 -4.678 3.336 -15.819 509 H VAL 63 HN VAL 63 -2.751 0.336 -12.187 510 HA VAL 63 HA VAL 63 -5.193 0.200 -10.674 511 HB VAL 63 HB VAL 63 -2.500 -1.122 -10.190 512 1HG1 VAL 63 HG11 VAL 63 -4.243 -2.973 -9.452 513 2HG1 VAL 63 HG12 VAL 63 -5.298 -1.579 -9.218 514 3HG1 VAL 63 HG13 VAL 63 -3.776 -1.692 -8.333 515 1HG2 VAL 63 HG21 VAL 63 -4.836 -2.025 -11.905 516 2HG2 VAL 63 HG22 VAL 63 -3.347 -2.927 -11.626 517 3HG2 VAL 63 HG23 VAL 63 -3.303 -1.409 -12.523 518 H ALA 64 HN ALA 64 -1.888 1.182 -9.882 519 HA ALA 64 HA ALA 64 -2.276 1.734 -7.101 520 1HB ALA 64 HB1 ALA 64 -0.097 2.470 -7.283 521 2HB ALA 64 HB2 ALA 64 -0.409 3.323 -8.796 522 3HB ALA 64 HB3 ALA 64 -0.212 1.570 -8.795 523 H THR 65 HN THR 65 -3.434 3.305 -9.887 524 HA THR 65 HA THR 65 -3.608 5.982 -8.625 525 HB THR 65 HB THR 65 -5.053 5.688 -11.098 526 HG1 THR 65 HG1 THR 65 -2.440 4.590 -11.008 527 1HG2 THR 65 HG21 THR 65 -3.031 7.135 -11.851 528 2HG2 THR 65 HG22 THR 65 -2.558 7.077 -10.153 529 3HG2 THR 65 HG23 THR 65 -4.108 7.781 -10.613 530 H ARG 66 HN ARG 66 -5.701 3.272 -9.551 531 HA ARG 66 HA ARG 66 -8.136 4.699 -8.670 532 1HB ARG 66 HB2 ARG 66 -8.111 3.284 -10.687 533 2HB ARG 66 HB1 ARG 66 -7.610 1.900 -9.715 534 1HG ARG 66 HG2 ARG 66 -9.712 2.146 -8.373 535 2HG ARG 66 HG1 ARG 66 -10.224 3.419 -9.481 536 1HD ARG 66 HD2 ARG 66 -9.879 1.694 -11.368 537 2HD ARG 66 HD1 ARG 66 -9.826 0.478 -10.076 538 HE ARG 66 HE ARG 66 -12.072 2.280 -9.741 539 1HH1 ARG 66 HH21 ARG 66 -12.354 -0.558 -9.093 540 2HH1 ARG 66 HH22 ARG 66 -13.271 -1.187 -10.421 541 1HH2 ARG 66 HH11 ARG 66 -12.635 1.522 -12.489 542 2HH2 ARG 66 HH12 ARG 66 -13.430 -0.009 -12.343 543 H VAL 67 HN VAL 67 -6.812 1.478 -7.933 544 HA VAL 67 HA VAL 67 -8.151 1.416 -5.329 545 HB VAL 67 HB VAL 67 -7.994 -0.607 -6.640 546 1HG1 VAL 67 HG11 VAL 67 -6.188 -0.264 -8.107 547 2HG1 VAL 67 HG12 VAL 67 -5.580 -1.517 -7.026 548 3HG1 VAL 67 HG13 VAL 67 -5.084 0.161 -6.799 549 1HG2 VAL 67 HG21 VAL 67 -5.837 -1.366 -4.812 550 2HG2 VAL 67 HG22 VAL 67 -7.516 -1.906 -4.848 551 3HG2 VAL 67 HG23 VAL 67 -7.088 -0.410 -4.018 552 H SER 68 HN SER 68 -6.661 3.568 -4.994 553 HA SER 68 HA SER 68 -4.424 2.644 -3.263 554 1HB SER 68 HB2 SER 68 -4.296 4.184 -5.775 555 2HB SER 68 HB1 SER 68 -3.321 4.824 -4.456 556 HG SER 68 HG SER 68 -3.291 2.183 -5.505 557 H ASP 69 HN ASP 69 -3.634 4.454 -1.839 558 HA ASP 69 HA ASP 69 -5.645 5.719 -0.378 559 1HB ASP 69 HB2 ASP 69 -3.088 5.435 -0.008 560 2HB ASP 69 HB1 ASP 69 -2.945 6.970 -0.863 561 H CYS 70 HN CYS 70 -6.899 7.503 -0.690 562 HA CYS 70 HA CYS 70 -7.615 8.664 -3.023 563 1HB CYS 70 HB2 CYS 70 -8.671 9.281 -0.992 564 2HB CYS 70 HB1 CYS 70 -7.157 9.834 -0.282 565 HG CYS 70 HG CYS 70 -8.517 11.388 -2.643 566 H SER 71 HN SER 71 -5.052 10.144 -1.013 567 HA SER 71 HA SER 71 -4.095 11.972 -2.987 568 1HB SER 71 HB2 SER 71 -3.669 11.829 -0.465 569 2HB SER 71 HB1 SER 71 -2.515 10.554 -0.825 570 HG SER 71 HG SER 71 -1.285 12.324 -0.917 571 H SER 72 HN SER 72 -3.120 8.687 -2.090 572 HA SER 72 HA SER 72 -0.965 8.371 -3.932 573 1HB SER 72 HB2 SER 72 -2.939 6.463 -2.651 574 2HB SER 72 HB1 SER 72 -1.572 5.906 -3.611 575 HG SER 72 HG SER 72 -0.239 6.495 -2.070 576 H ALA 73 HN ALA 73 -4.484 7.832 -4.327 577 HA ALA 73 HA ALA 73 -4.505 6.572 -6.844 578 1HB ALA 73 HB1 ALA 73 -6.237 8.845 -5.802 579 2HB ALA 73 HB2 ALA 73 -6.518 7.124 -5.534 580 3HB ALA 73 HB3 ALA 73 -6.660 7.799 -7.157 581 H LYS 74 HN LYS 74 -3.944 9.943 -5.965 582 HA LYS 74 HA LYS 74 -3.623 10.923 -8.699 583 1HB LYS 74 HB2 LYS 74 -4.232 12.138 -6.475 584 2HB LYS 74 HB1 LYS 74 -2.499 12.111 -6.148 585 1HG LYS 74 HG2 LYS 74 -2.362 14.004 -7.371 586 2HG LYS 74 HG1 LYS 74 -2.678 13.002 -8.788 587 1HD LYS 74 HD2 LYS 74 -5.184 13.451 -7.541 588 2HD LYS 74 HD1 LYS 74 -4.364 15.012 -7.601 589 1HE LYS 74 HE2 LYS 74 -4.017 13.526 -10.094 590 2HE LYS 74 HE1 LYS 74 -5.728 13.819 -9.723 591 1HZ LYS 74 HZ1 LYS 74 -5.435 16.074 -9.663 592 2HZ LYS 74 HZ2 LYS 74 -4.292 15.672 -10.854 593 3HZ LYS 74 HZ3 LYS 74 -3.790 15.973 -9.259 594 H ARG 75 HN ARG 75 -1.614 9.573 -6.167 595 HA ARG 75 HA ARG 75 0.806 9.685 -7.940 596 1HB ARG 75 HB2 ARG 75 0.354 9.832 -4.949 597 2HB ARG 75 HB1 ARG 75 1.941 9.451 -5.618 598 1HG ARG 75 HG2 ARG 75 1.221 11.634 -7.110 599 2HG ARG 75 HG1 ARG 75 0.494 12.017 -5.551 600 1HD ARG 75 HD2 ARG 75 2.592 11.890 -4.421 601 2HD ARG 75 HD1 ARG 75 3.374 11.101 -5.806 602 HE ARG 75 HE ARG 75 2.771 13.301 -7.055 603 1HH1 ARG 75 HH21 ARG 75 5.122 13.181 -4.964 604 2HH1 ARG 75 HH22 ARG 75 4.934 14.745 -4.243 605 1HH2 ARG 75 HH11 ARG 75 1.774 15.271 -5.564 606 2HH2 ARG 75 HH12 ARG 75 3.042 15.925 -4.582 607 H GLY 76 HN GLY 76 -0.905 7.610 -8.447 608 1HA GLY 76 HA2 GLY 76 -0.769 5.317 -6.794 609 2HA GLY 76 HA1 GLY 76 -1.031 5.271 -8.539 610 H GLY 77 HN GLY 77 1.600 6.815 -8.763 611 1HA GLY 77 HA2 GLY 77 3.254 4.572 -9.362 612 2HA GLY 77 HA1 GLY 77 3.828 6.233 -9.208 613 H ASP 78 HN ASP 78 4.861 6.848 -7.336 614 HA ASP 78 HA ASP 78 4.837 4.946 -5.052 615 1HB ASP 78 HB2 ASP 78 7.216 4.694 -5.132 616 2HB ASP 78 HB1 ASP 78 6.664 4.492 -6.795 617 H LEU 79 HN LEU 79 6.312 5.904 -3.246 618 HA LEU 79 HA LEU 79 5.354 8.583 -2.594 619 1HB LEU 79 HB2 LEU 79 7.295 6.600 -1.354 620 2HB LEU 79 HB1 LEU 79 6.890 8.136 -0.596 621 HG LEU 79 HG LEU 79 4.501 7.476 -0.560 622 1HD1 LEU 79 HD11 LEU 79 5.616 4.956 -1.811 623 2HD1 LEU 79 HD12 LEU 79 4.317 5.984 -2.419 624 3HD1 LEU 79 HD13 LEU 79 4.058 4.991 -0.985 625 1HD2 LEU 79 HD21 LEU 79 4.857 6.492 1.447 626 2HD2 LEU 79 HD22 LEU 79 6.575 6.539 1.050 627 3HD2 LEU 79 HD23 LEU 79 5.628 5.093 0.700 628 H GLY 80 HN GLY 80 8.581 7.150 -2.887 629 1HA GLY 80 HA2 GLY 80 10.085 8.335 -4.611 630 2HA GLY 80 HA1 GLY 80 9.709 9.783 -3.682 631 H SER 81 HN SER 81 10.463 9.945 -1.525 632 HA SER 81 HA SER 81 12.311 7.842 -0.558 633 1HB SER 81 HB2 SER 81 14.219 9.122 -0.779 634 2HB SER 81 HB1 SER 81 13.316 9.651 -2.191 635 HG SER 81 HG SER 81 12.885 11.523 -1.240 636 H PHE 82 HN PHE 82 12.524 7.871 1.673 637 HA PHE 82 HA PHE 82 11.990 10.177 3.334 638 1HB PHE 82 HB2 PHE 82 9.846 9.233 4.288 639 2HB PHE 82 HB1 PHE 82 9.709 9.767 2.613 640 HD1 PHE 82 HD1 PHE 82 9.843 8.042 0.751 641 HD2 PHE 82 HD2 PHE 82 9.494 6.961 4.891 642 HE1 PHE 82 HE1 PHE 82 9.104 5.777 0.090 643 HE2 PHE 82 HE2 PHE 82 8.752 4.688 4.224 644 HZ PHE 82 HZ PHE 82 8.558 4.102 1.826 645 H GLY 83 HN GLY 83 13.744 9.604 4.633 646 1HA GLY 83 HA2 GLY 83 14.358 6.885 5.351 647 2HA GLY 83 HA1 GLY 83 15.070 8.320 6.082 648 H ARG 84 HN ARG 84 14.331 8.980 8.068 649 HA ARG 84 HA ARG 84 12.508 7.146 9.491 650 1HB ARG 84 HB2 ARG 84 13.765 9.650 10.603 651 2HB ARG 84 HB1 ARG 84 13.434 8.127 11.424 652 1HG ARG 84 HG2 ARG 84 15.604 8.695 9.390 653 2HG ARG 84 HG1 ARG 84 15.804 8.203 11.071 654 1HD ARG 84 HD2 ARG 84 14.155 6.245 9.774 655 2HD ARG 84 HD1 ARG 84 15.606 6.509 8.786 656 HE ARG 84 HE ARG 84 15.714 5.901 11.718 657 1HH1 ARG 84 HH21 ARG 84 17.697 6.841 9.238 658 2HH1 ARG 84 HH22 ARG 84 18.775 5.488 9.321 659 1HH2 ARG 84 HH11 ARG 84 16.787 3.699 11.529 660 2HH2 ARG 84 HH12 ARG 84 18.260 3.709 10.618 661 H GLY 85 HN GLY 85 11.759 9.398 7.402 662 1HA GLY 85 HA2 GLY 85 9.704 10.735 9.116 663 2HA GLY 85 HA1 GLY 85 10.338 11.420 7.617 664 H GLN 86 HN GLN 86 7.610 11.190 7.827 665 HA GLN 86 HA GLN 86 5.735 10.277 6.692 666 1HB GLN 86 HB2 GLN 86 7.762 8.909 4.926 667 2HB GLN 86 HB1 GLN 86 6.217 9.619 4.469 668 1HG GLN 86 HG2 GLN 86 7.769 11.696 5.624 669 2HG GLN 86 HG1 GLN 86 8.814 10.830 4.497 670 1HE2 GLN 86 HE21 GLN 86 6.519 13.291 4.660 671 2HE2 GLN 86 HE22 GLN 86 6.045 13.316 3.030 672 H MET 87 HN MET 87 4.947 7.997 5.795 673 HA MET 87 HA MET 87 4.376 5.805 6.512 674 1HB MET 87 HB2 MET 87 7.236 6.163 5.880 675 2HB MET 87 HB1 MET 87 6.888 4.694 6.801 676 1HG MET 87 HG2 MET 87 6.750 4.398 4.297 677 2HG MET 87 HG1 MET 87 5.275 3.965 5.157 678 1HE MET 87 HE1 MET 87 7.064 6.594 2.851 679 2HE MET 87 HE2 MET 87 6.910 7.331 4.443 680 3HE MET 87 HE3 MET 87 6.012 7.998 3.083 681 H GLN 88 HN GLN 88 5.924 4.103 8.267 682 HA GLN 88 HA GLN 88 6.440 5.507 10.766 683 1HB GLN 88 HB2 GLN 88 3.845 5.356 10.192 684 2HB GLN 88 HB1 GLN 88 4.027 3.741 10.866 685 1HG GLN 88 HG2 GLN 88 4.291 4.521 12.981 686 2HG GLN 88 HG1 GLN 88 5.325 5.850 12.457 687 1HE2 GLN 88 HE21 GLN 88 2.081 4.999 13.373 688 2HE2 GLN 88 HE22 GLN 88 1.379 6.517 13.082 689 H LYS 89 HN LYS 89 5.354 3.058 12.238 690 HA LYS 89 HA LYS 89 7.784 1.531 12.263 691 1HB LYS 89 HB2 LYS 89 5.142 1.587 13.553 692 2HB LYS 89 HB1 LYS 89 5.867 -0.019 13.478 693 1HG LYS 89 HG2 LYS 89 8.001 1.030 14.384 694 2HG LYS 89 HG1 LYS 89 7.051 2.483 14.698 695 1HD LYS 89 HD2 LYS 89 6.588 1.514 16.697 696 2HD LYS 89 HD1 LYS 89 5.457 0.520 15.778 697 1HE LYS 89 HE2 LYS 89 6.952 -1.302 15.668 698 2HE LYS 89 HE1 LYS 89 8.359 -0.284 16.033 699 1HZ LYS 89 HZ1 LYS 89 7.428 -1.624 17.953 700 2HZ LYS 89 HZ2 LYS 89 6.089 -0.579 17.914 701 3HZ LYS 89 HZ3 LYS 89 7.640 0.036 18.231 702 HA PRO 90 HA PRO 90 5.215 -1.903 10.091 703 1HB PRO 90 HB2 PRO 90 3.008 -1.105 8.678 704 2HB PRO 90 HB1 PRO 90 2.951 -1.630 10.371 705 1HG PRO 90 HG2 PRO 90 2.975 1.131 9.248 706 2HG PRO 90 HG1 PRO 90 2.038 0.469 10.598 707 1HD PRO 90 HD2 PRO 90 4.250 1.969 10.958 708 2HD PRO 90 HD1 PRO 90 3.777 0.687 12.090 709 H PHE 91 HN PHE 91 4.037 0.561 7.795 710 HA PHE 91 HA PHE 91 5.135 -0.468 5.500 711 1HB PHE 91 HB2 PHE 91 3.707 1.556 5.641 712 2HB PHE 91 HB1 PHE 91 5.099 2.472 6.229 713 HD1 PHE 91 HD1 PHE 91 7.320 2.186 4.715 714 HD2 PHE 91 HD2 PHE 91 3.293 1.571 3.333 715 HE1 PHE 91 HE1 PHE 91 8.085 2.437 2.412 716 HE2 PHE 91 HE2 PHE 91 4.075 1.866 0.994 717 HZ PHE 91 HZ PHE 91 6.470 2.300 0.531 718 H GLU 92 HN GLU 92 6.849 2.168 7.209 719 HA GLU 92 HA GLU 92 9.224 2.166 5.836 720 1HB GLU 92 HB2 GLU 92 8.293 3.259 8.137 721 2HB GLU 92 HB1 GLU 92 9.493 2.148 8.798 722 1HG GLU 92 HG2 GLU 92 11.262 3.166 7.594 723 2HG GLU 92 HG1 GLU 92 10.151 3.994 6.501 724 H GLU 93 HN GLU 93 8.724 0.095 8.722 725 HA GLU 93 HA GLU 93 11.094 -1.434 8.482 726 1HB GLU 93 HB2 GLU 93 9.747 -1.561 10.460 727 2HB GLU 93 HB1 GLU 93 8.312 -2.009 9.537 728 1HG GLU 93 HG2 GLU 93 9.100 -4.031 10.535 729 2HG GLU 93 HG1 GLU 93 9.581 -4.109 8.841 730 H ALA 94 HN ALA 94 8.214 -1.444 6.572 731 HA ALA 94 HA ALA 94 8.474 -4.115 5.447 732 1HB ALA 94 HB1 ALA 94 6.495 -2.328 5.616 733 2HB ALA 94 HB2 ALA 94 6.559 -3.478 4.280 734 3HB ALA 94 HB3 ALA 94 7.133 -1.826 4.051 735 H THR 95 HN THR 95 8.986 -0.862 4.065 736 HA THR 95 HA THR 95 10.337 -1.823 1.713 737 HB THR 95 HB THR 95 10.538 0.894 3.053 738 HG1 THR 95 HG1 THR 95 8.493 -0.309 1.525 739 1HG2 THR 95 HG21 THR 95 12.020 0.604 1.142 740 2HG2 THR 95 HG22 THR 95 10.687 1.663 0.685 741 3HG2 THR 95 HG23 THR 95 10.688 -0.023 0.169 742 H TYR 96 HN TYR 96 11.351 -1.029 4.964 743 HA TYR 96 HA TYR 96 14.216 -0.903 4.346 744 1HB TYR 96 HB2 TYR 96 12.369 -0.727 6.671 745 2HB TYR 96 HB1 TYR 96 14.003 -1.277 7.031 746 HD1 TYR 96 HD1 TYR 96 11.935 1.558 6.521 747 HD2 TYR 96 HD2 TYR 96 15.952 0.144 5.955 748 HE1 TYR 96 HE1 TYR 96 12.740 3.899 6.395 749 HE2 TYR 96 HE2 TYR 96 16.756 2.489 5.832 750 HH TYR 96 HH TYR 96 15.594 4.797 5.153 751 H ALA 97 HN ALA 97 11.850 -3.327 5.094 752 HA ALA 97 HA ALA 97 13.873 -5.353 5.862 753 1HB ALA 97 HB1 ALA 97 11.894 -5.297 7.183 754 2HB ALA 97 HB2 ALA 97 11.691 -6.693 6.123 755 3HB ALA 97 HB3 ALA 97 10.859 -5.182 5.759 756 H LEU 98 HN LEU 98 11.429 -4.821 3.282 757 HA LEU 98 HA LEU 98 12.391 -7.242 1.864 758 1HB LEU 98 HB2 LEU 98 9.950 -6.349 2.229 759 2HB LEU 98 HB1 LEU 98 10.328 -5.301 0.862 760 HG LEU 98 HG LEU 98 11.183 -8.024 0.347 761 1HD1 LEU 98 HD11 LEU 98 8.544 -8.544 0.018 762 2HD1 LEU 98 HD12 LEU 98 8.482 -7.577 1.490 763 3HD1 LEU 98 HD13 LEU 98 9.454 -9.048 1.440 764 1HD2 LEU 98 HD21 LEU 98 10.748 -6.071 -1.253 765 2HD2 LEU 98 HD22 LEU 98 9.030 -6.396 -1.023 766 3HD2 LEU 98 HD23 LEU 98 10.073 -7.627 -1.734 767 H LYS 99 HN LYS 99 12.401 -6.784 -0.689 768 HA LYS 99 HA LYS 99 13.585 -4.238 -1.509 769 1HB LYS 99 HB2 LYS 99 15.759 -5.532 -2.150 770 2HB LYS 99 HB1 LYS 99 15.543 -5.058 -0.466 771 1HG LYS 99 HG2 LYS 99 15.246 -7.213 0.245 772 2HG LYS 99 HG1 LYS 99 14.405 -7.693 -1.230 773 1HD LYS 99 HD2 LYS 99 17.008 -7.078 -2.067 774 2HD LYS 99 HD1 LYS 99 17.219 -7.964 -0.556 775 1HE LYS 99 HE2 LYS 99 17.086 -9.729 -2.089 776 2HE LYS 99 HE1 LYS 99 15.379 -9.564 -1.634 777 1HZ LYS 99 HZ1 LYS 99 14.861 -8.500 -3.560 778 2HZ LYS 99 HZ2 LYS 99 16.148 -9.443 -4.144 779 3HZ LYS 99 HZ3 LYS 99 16.401 -7.812 -3.739 780 H VAL 100 HN VAL 100 11.486 -5.004 -2.774 781 HA VAL 100 HA VAL 100 10.599 -5.671 -4.858 782 HB VAL 100 HB VAL 100 13.547 -5.912 -5.548 783 1HG1 VAL 100 HG11 VAL 100 11.356 -5.026 -7.404 784 2HG1 VAL 100 HG12 VAL 100 11.600 -6.748 -7.111 785 3HG1 VAL 100 HG13 VAL 100 12.906 -5.776 -7.788 786 1HG2 VAL 100 HG21 VAL 100 12.110 -3.657 -4.632 787 2HG2 VAL 100 HG22 VAL 100 12.263 -3.457 -6.378 788 3HG2 VAL 100 HG23 VAL 100 13.705 -3.669 -5.385 789 H GLY 101 HN GLY 101 9.761 -7.650 -5.407 790 1HA GLY 101 HA2 GLY 101 10.426 -9.990 -6.194 791 2HA GLY 101 HA1 GLY 101 11.379 -10.071 -4.712 792 H ASP 102 HN ASP 102 10.120 -9.782 -2.657 793 HA ASP 102 HA ASP 102 7.812 -11.546 -2.629 794 1HB ASP 102 HB2 ASP 102 9.534 -10.026 -0.739 795 2HB ASP 102 HB1 ASP 102 7.910 -10.406 -0.164 796 H ILE 103 HN ILE 103 8.286 -8.092 -2.793 797 HA ILE 103 HA ILE 103 6.731 -6.342 -3.084 798 HB ILE 103 HB ILE 103 4.672 -8.554 -3.262 799 1HG1 ILE 103 HG12 ILE 103 6.672 -7.614 -5.343 800 2HG1 ILE 103 HG11 ILE 103 6.551 -9.233 -4.655 801 1HG2 ILE 103 HG21 ILE 103 3.471 -6.621 -3.549 802 2HG2 ILE 103 HG22 ILE 103 4.081 -6.760 -5.197 803 3HG2 ILE 103 HG23 ILE 103 4.885 -5.694 -4.046 804 1HD1 ILE 103 HD11 ILE 103 5.394 -9.496 -6.665 805 2HD1 ILE 103 HD12 ILE 103 4.721 -7.867 -6.607 806 3HD1 ILE 103 HD13 ILE 103 4.081 -9.124 -5.548 807 H SER 104 HN SER 104 7.424 -7.163 -0.444 808 HA SER 104 HA SER 104 6.718 -6.771 1.775 809 1HB SER 104 HB2 SER 104 5.783 -4.725 1.505 810 2HB SER 104 HB1 SER 104 5.100 -5.174 -0.055 811 HG SER 104 HG SER 104 4.046 -5.948 2.466 812 H ASP 105 HN ASP 105 5.419 -7.815 3.349 813 HA ASP 105 HA ASP 105 3.657 -9.981 2.304 814 1HB ASP 105 HB2 ASP 105 5.230 -9.409 4.803 815 2HB ASP 105 HB1 ASP 105 3.917 -10.587 4.859 816 H ILE 106 HN ILE 106 2.007 -8.149 1.875 817 HA ILE 106 HA ILE 106 -0.069 -7.189 2.469 818 HB ILE 106 HB ILE 106 0.314 -8.659 5.090 819 1HG1 ILE 106 HG12 ILE 106 -0.445 -9.709 2.353 820 2HG1 ILE 106 HG11 ILE 106 0.803 -10.317 3.441 821 1HG2 ILE 106 HG21 ILE 106 -1.845 -8.123 5.432 822 2HG2 ILE 106 HG22 ILE 106 -2.301 -8.758 3.852 823 3HG2 ILE 106 HG23 ILE 106 -1.759 -7.087 4.007 824 1HD1 ILE 106 HD11 ILE 106 -2.199 -10.472 3.831 825 2HD1 ILE 106 HD12 ILE 106 -1.032 -10.873 5.092 826 3HD1 ILE 106 HD13 ILE 106 -1.082 -11.818 3.604 827 H VAL 107 HN VAL 107 0.258 -4.998 2.764 828 HA VAL 107 HA VAL 107 1.600 -4.065 5.270 829 HB VAL 107 HB VAL 107 0.849 -2.458 2.817 830 1HG1 VAL 107 HG11 VAL 107 2.521 -0.949 3.560 831 2HG1 VAL 107 HG12 VAL 107 3.223 -2.139 4.656 832 3HG1 VAL 107 HG13 VAL 107 1.662 -1.410 5.030 833 1HG2 VAL 107 HG21 VAL 107 3.567 -3.112 2.653 834 2HG2 VAL 107 HG22 VAL 107 2.277 -3.729 1.620 835 3HG2 VAL 107 HG23 VAL 107 2.767 -4.632 3.054 836 H ASP 108 HN ASP 108 -0.331 -4.346 6.636 837 HA ASP 108 HA ASP 108 -2.683 -2.666 5.902 838 1HB ASP 108 HB2 ASP 108 -2.494 -4.471 8.301 839 2HB ASP 108 HB1 ASP 108 -3.907 -4.067 7.324 840 H THR 109 HN THR 109 -2.088 -0.552 6.500 841 HA THR 109 HA THR 109 -2.171 0.124 9.307 842 HB THR 109 HB THR 109 0.055 -0.818 9.317 843 HG1 THR 109 HG1 THR 109 0.706 1.865 9.006 844 1HG2 THR 109 HG21 THR 109 1.576 -0.610 7.623 845 2HG2 THR 109 HG22 THR 109 1.129 1.062 7.292 846 3HG2 THR 109 HG23 THR 109 0.136 -0.255 6.672 847 H ASP 110 HN ASP 110 -0.997 2.550 9.390 848 HA ASP 110 HA ASP 110 -1.361 4.793 8.738 849 1HB ASP 110 HB2 ASP 110 -0.807 3.271 6.186 850 2HB ASP 110 HB1 ASP 110 -0.981 5.027 6.196 851 H SER 111 HN SER 111 -2.727 3.781 5.690 852 HA SER 111 HA SER 111 -5.307 5.009 6.443 853 1HB SER 111 HB2 SER 111 -3.701 4.863 4.162 854 2HB SER 111 HB1 SER 111 -5.076 3.828 3.783 855 HG SER 111 HG SER 111 -6.301 5.535 3.691 856 H GLY 112 HN GLY 112 -4.154 1.904 5.120 857 1HA GLY 112 HA2 GLY 112 -6.046 0.368 6.660 858 2HA GLY 112 HA1 GLY 112 -6.593 0.530 4.991 859 H VAL 113 HN VAL 113 -5.574 -0.667 3.399 860 HA VAL 113 HA VAL 113 -3.254 -2.362 4.251 861 HB VAL 113 HB VAL 113 -4.430 -3.994 2.538 862 1HG1 VAL 113 HG11 VAL 113 -5.244 -5.152 4.360 863 2HG1 VAL 113 HG12 VAL 113 -5.965 -3.715 5.085 864 3HG1 VAL 113 HG13 VAL 113 -4.225 -3.983 5.201 865 1HG2 VAL 113 HG21 VAL 113 -6.861 -3.747 2.520 866 2HG2 VAL 113 HG22 VAL 113 -6.117 -2.294 1.851 867 3HG2 VAL 113 HG23 VAL 113 -6.741 -2.286 3.500 868 H HIS 114 HN HIS 114 -1.514 -2.188 2.918 869 HA HIS 114 HA HIS 114 -1.953 -1.133 0.141 870 1HB HIS 114 HB2 HIS 114 0.357 -0.501 1.993 871 2HB HIS 114 HB1 HIS 114 -0.037 0.298 0.478 872 HD1 HIS 114 HD1 HIS 114 -0.888 2.564 1.003 873 HD2 HIS 114 HD2 HIS 114 -2.286 -0.251 3.741 874 HE1 HIS 114 HE1 HIS 114 -2.385 3.816 2.615 875 H ILE 115 HN ILE 115 0.371 -1.350 -0.987 876 HA ILE 115 HA ILE 115 1.808 -3.837 -0.279 877 HB ILE 115 HB ILE 115 1.430 -4.581 -2.731 878 1HG1 ILE 115 HG12 ILE 115 -0.965 -2.750 -2.442 879 2HG1 ILE 115 HG11 ILE 115 0.482 -2.318 -3.356 880 1HG2 ILE 115 HG21 ILE 115 -0.417 -5.878 -2.094 881 2HG2 ILE 115 HG22 ILE 115 -1.122 -4.578 -1.133 882 3HG2 ILE 115 HG23 ILE 115 0.297 -5.443 -0.541 883 1HD1 ILE 115 HD11 ILE 115 -0.538 -3.329 -5.108 884 2HD1 ILE 115 HD12 ILE 115 -1.693 -4.161 -4.067 885 3HD1 ILE 115 HD13 ILE 115 -0.083 -4.838 -4.317 886 H ILE 116 HN ILE 116 3.860 -2.998 -0.299 887 HA ILE 116 HA ILE 116 4.588 -0.674 -1.873 888 HB ILE 116 HB ILE 116 5.792 -2.537 0.114 889 1HG1 ILE 116 HG12 ILE 116 6.522 0.116 0.576 890 2HG1 ILE 116 HG11 ILE 116 4.903 0.221 -0.115 891 1HG2 ILE 116 HG21 ILE 116 7.457 -0.646 -1.584 892 2HG2 ILE 116 HG22 ILE 116 7.567 -2.406 -1.605 893 3HG2 ILE 116 HG23 ILE 116 8.025 -1.511 -0.156 894 1HD1 ILE 116 HD11 ILE 116 5.643 -0.567 2.531 895 2HD1 ILE 116 HD12 ILE 116 4.926 -1.961 1.722 896 3HD1 ILE 116 HD13 ILE 116 4.025 -0.450 1.841 897 H LYS 117 HN LYS 117 6.568 -0.668 -3.228 898 HA LYS 117 HA LYS 117 7.522 -3.034 -4.594 899 1HB LYS 117 HB2 LYS 117 5.016 -2.001 -5.384 900 2HB LYS 117 HB1 LYS 117 6.157 -1.442 -6.608 901 1HG LYS 117 HG2 LYS 117 6.843 -3.655 -7.137 902 2HG LYS 117 HG1 LYS 117 6.102 -4.317 -5.680 903 1HD LYS 117 HD2 LYS 117 4.116 -4.566 -6.714 904 2HD LYS 117 HD1 LYS 117 4.142 -2.896 -7.282 905 1HE LYS 117 HE2 LYS 117 4.941 -3.483 -9.346 906 2HE LYS 117 HE1 LYS 117 6.010 -4.735 -8.681 907 1HZ LYS 117 HZ1 LYS 117 4.125 -6.145 -8.284 908 2HZ LYS 117 HZ2 LYS 117 4.099 -5.667 -9.915 909 3HZ LYS 117 HZ3 LYS 117 3.047 -4.939 -8.797 910 H ARG 118 HN ARG 118 9.631 -2.275 -4.776 911 HA ARG 118 HA ARG 118 10.068 0.603 -5.390 912 1HB ARG 118 HB2 ARG 118 11.208 -0.374 -3.472 913 2HB ARG 118 HB1 ARG 118 11.876 -1.657 -4.481 914 1HG ARG 118 HG2 ARG 118 13.519 -0.320 -5.301 915 2HG ARG 118 HG1 ARG 118 12.434 1.060 -5.472 916 1HD ARG 118 HD2 ARG 118 13.106 1.940 -3.488 917 2HD ARG 118 HD1 ARG 118 12.945 0.377 -2.663 918 HE ARG 118 HE ARG 118 15.339 1.229 -4.234 919 1HH1 ARG 118 HH21 ARG 118 13.701 -1.341 -2.712 920 2HH1 ARG 118 HH22 ARG 118 15.115 -1.999 -1.960 921 1HH2 ARG 118 HH11 ARG 118 17.184 0.592 -2.980 922 2HH2 ARG 118 HH12 ARG 118 17.089 -0.904 -2.112 923 H THR 119 HN THR 119 12.577 -1.602 -6.278 924 HA THR 119 HA THR 119 12.729 -0.633 -8.966 925 HB THR 119 HB THR 119 13.831 -3.109 -7.596 926 HG1 THR 119 HG1 THR 119 15.210 -1.765 -6.795 927 1HG2 THR 119 HG21 THR 119 13.982 -3.454 -9.973 928 2HG2 THR 119 HG22 THR 119 15.580 -2.958 -9.415 929 3HG2 THR 119 HG23 THR 119 14.532 -1.800 -10.234 930 H ALA 120 HN ALA 120 12.664 -4.111 -8.663 931 HA ALA 120 HA ALA 120 11.232 -5.741 -9.612 932 1HB ALA 120 HB1 ALA 120 9.612 -3.958 -8.450 933 2HB ALA 120 HB2 ALA 120 8.970 -5.254 -9.459 934 3HB ALA 120 HB3 ALA 120 9.170 -3.634 -10.126 Start of MODEL 2 1 1H HIS 1 HT1 HIS 1 32.671 4.616 0.943 2 2H HIS 1 HT2 HIS 1 30.985 4.416 1.000 3 3H HIS 1 HT3 HIS 1 31.987 3.491 2.013 4 HA HIS 1 HA HIS 1 31.775 5.024 3.599 5 1HB HIS 1 HB2 HIS 1 33.876 5.713 2.304 6 2HB HIS 1 HB1 HIS 1 32.888 6.972 1.564 7 HD1 HIS 1 HD1 HIS 1 33.429 5.724 5.142 8 HD2 HIS 1 HD2 HIS 1 33.111 9.297 3.017 9 HE1 HIS 1 HE1 HIS 1 33.692 7.590 6.834 10 H MET 2 HN MET 2 31.202 7.170 0.788 11 HA MET 2 HA MET 2 28.677 8.083 2.082 12 1HB MET 2 HB2 MET 2 30.562 9.114 -0.037 13 2HB MET 2 HB1 MET 2 28.958 9.821 0.161 14 1HG MET 2 HG2 MET 2 29.435 10.356 2.491 15 2HG MET 2 HG1 MET 2 30.998 9.546 2.387 16 1HE MET 2 HE1 MET 2 33.317 12.181 1.615 17 2HE MET 2 HE2 MET 2 33.094 10.456 1.329 18 3HE MET 2 HE3 MET 2 32.663 11.146 2.892 19 H ALA 3 HN ALA 3 29.566 7.815 -1.357 20 HA ALA 3 HA ALA 3 28.233 7.088 -3.181 21 1HB ALA 3 HB1 ALA 3 27.257 4.700 -1.989 22 2HB ALA 3 HB2 ALA 3 28.817 5.041 -1.243 23 3HB ALA 3 HB3 ALA 3 28.693 4.887 -2.996 24 H SER 4 HN SER 4 26.597 8.863 -2.717 25 HA SER 4 HA SER 4 24.355 9.562 -2.416 26 1HB SER 4 HB2 SER 4 24.040 6.583 -2.900 27 2HB SER 4 HB1 SER 4 22.733 7.759 -3.019 28 HG SER 4 HG SER 4 23.718 7.325 -5.048 29 H ARG 5 HN ARG 5 22.362 9.165 -0.985 30 HA ARG 5 HA ARG 5 23.262 8.526 1.745 31 1HB ARG 5 HB2 ARG 5 21.007 9.421 2.297 32 2HB ARG 5 HB1 ARG 5 21.887 10.505 1.219 33 1HG ARG 5 HG2 ARG 5 20.408 8.526 -0.300 34 2HG ARG 5 HG1 ARG 5 19.334 9.414 0.782 35 1HD ARG 5 HD2 ARG 5 21.006 11.395 -0.268 36 2HD ARG 5 HD1 ARG 5 20.653 10.340 -1.651 37 HE ARG 5 HE ARG 5 18.199 10.540 -0.892 38 1HH1 ARG 5 HH21 ARG 5 19.973 12.565 1.038 39 2HH1 ARG 5 HH22 ARG 5 19.139 14.024 0.616 40 1HH2 ARG 5 HH11 ARG 5 17.373 12.573 -1.991 41 2HH2 ARG 5 HH12 ARG 5 17.667 14.027 -1.098 42 H ASP 6 HN ASP 6 20.630 7.625 2.643 43 HA ASP 6 HA ASP 6 20.562 4.886 1.426 44 1HB ASP 6 HB2 ASP 6 21.594 5.484 3.839 45 2HB ASP 6 HB1 ASP 6 19.902 5.310 4.303 46 H GLN 7 HN GLN 7 18.622 6.561 3.905 47 HA GLN 7 HA GLN 7 16.267 6.719 4.109 48 1HB GLN 7 HB2 GLN 7 17.219 8.193 2.054 49 2HB GLN 7 HB1 GLN 7 16.120 7.138 1.163 50 1HG GLN 7 HG2 GLN 7 14.249 8.029 2.145 51 2HG GLN 7 HG1 GLN 7 15.065 8.298 3.685 52 1HE2 GLN 7 HE21 GLN 7 16.194 10.313 3.998 53 2HE2 GLN 7 HE22 GLN 7 16.074 11.599 2.897 54 H VAL 8 HN VAL 8 14.145 5.979 2.717 55 HA VAL 8 HA VAL 8 14.649 3.185 1.756 56 HB VAL 8 HB VAL 8 13.944 2.940 4.004 57 1HG1 VAL 8 HG11 VAL 8 12.148 5.275 3.368 58 2HG1 VAL 8 HG12 VAL 8 13.341 5.119 4.656 59 3HG1 VAL 8 HG13 VAL 8 11.819 4.233 4.753 60 1HG2 VAL 8 HG21 VAL 8 12.075 1.649 3.709 61 2HG2 VAL 8 HG22 VAL 8 12.386 1.981 2.006 62 3HG2 VAL 8 HG23 VAL 8 11.192 2.935 2.886 63 H LYS 9 HN LYS 9 14.262 3.920 -0.447 64 HA LYS 9 HA LYS 9 11.868 5.393 -1.165 65 1HB LYS 9 HB2 LYS 9 13.838 3.698 -2.733 66 2HB LYS 9 HB1 LYS 9 12.575 4.690 -3.462 67 1HG LYS 9 HG2 LYS 9 13.789 6.422 -1.689 68 2HG LYS 9 HG1 LYS 9 15.144 5.510 -2.330 69 1HD LYS 9 HD2 LYS 9 13.315 7.426 -3.703 70 2HD LYS 9 HD1 LYS 9 15.036 7.162 -3.935 71 1HE LYS 9 HE2 LYS 9 13.906 4.770 -4.811 72 2HE LYS 9 HE1 LYS 9 12.778 6.011 -5.390 73 1HZ LYS 9 HZ1 LYS 9 14.957 5.472 -6.718 74 2HZ LYS 9 HZ2 LYS 9 15.659 6.527 -5.586 75 3HZ LYS 9 HZ3 LYS 9 14.394 7.065 -6.585 76 H ALA 10 HN ALA 10 10.096 4.417 -2.530 77 HA ALA 10 HA ALA 10 9.691 1.618 -2.874 78 1HB ALA 10 HB1 ALA 10 9.818 1.249 -0.560 79 2HB ALA 10 HB2 ALA 10 8.081 1.422 -0.809 80 3HB ALA 10 HB3 ALA 10 9.020 2.775 -0.182 81 H SER 11 HN SER 11 7.325 1.039 -3.088 82 HA SER 11 HA SER 11 5.691 3.429 -3.853 83 1HB SER 11 HB2 SER 11 5.018 2.247 -5.762 84 2HB SER 11 HB1 SER 11 6.663 1.641 -5.569 85 HG SER 11 HG SER 11 4.205 0.420 -5.040 86 H HIS 12 HN HIS 12 3.181 2.553 -3.908 87 HA HIS 12 HA HIS 12 2.624 0.487 -1.903 88 1HB HIS 12 HB2 HIS 12 2.024 1.916 -0.090 89 2HB HIS 12 HB1 HIS 12 3.584 2.499 -0.668 90 HD1 HIS 12 HD1 HIS 12 0.932 4.064 0.666 91 HD2 HIS 12 HD2 HIS 12 2.521 4.374 -3.177 92 HE1 HIS 12 HE1 HIS 12 0.182 6.306 -0.241 93 H ILE 13 HN ILE 13 0.393 0.026 -1.741 94 HA ILE 13 HA ILE 13 -1.518 1.717 -3.317 95 HB ILE 13 HB ILE 13 -0.846 -1.216 -3.481 96 1HG1 ILE 13 HG12 ILE 13 -1.350 1.079 -5.364 97 2HG1 ILE 13 HG11 ILE 13 0.040 -0.001 -5.284 98 1HG2 ILE 13 HG21 ILE 13 -3.260 -1.090 -2.832 99 2HG2 ILE 13 HG22 ILE 13 -3.032 -1.718 -4.463 100 3HG2 ILE 13 HG23 ILE 13 -3.553 -0.050 -4.226 101 1HD1 ILE 13 HD11 ILE 13 -2.747 -0.749 -6.225 102 2HD1 ILE 13 HD12 ILE 13 -1.392 -1.869 -6.086 103 3HD1 ILE 13 HD13 ILE 13 -1.325 -0.545 -7.249 104 H LEU 14 HN LEU 14 -3.764 1.532 -2.431 105 HA LEU 14 HA LEU 14 -3.799 0.319 0.316 106 1HB LEU 14 HB2 LEU 14 -3.673 2.717 0.492 107 2HB LEU 14 HB1 LEU 14 -4.948 2.921 -0.711 108 HG LEU 14 HG LEU 14 -6.127 1.257 1.172 109 1HD1 LEU 14 HD11 LEU 14 -4.185 1.695 2.675 110 2HD1 LEU 14 HD12 LEU 14 -5.714 2.267 3.342 111 3HD1 LEU 14 HD13 LEU 14 -4.578 3.413 2.628 112 1HD2 LEU 14 HD21 LEU 14 -6.530 4.124 1.677 113 2HD2 LEU 14 HD22 LEU 14 -7.685 2.905 1.137 114 3HD2 LEU 14 HD23 LEU 14 -6.624 3.693 -0.031 115 H ILE 15 HN ILE 15 -5.493 -0.996 0.767 116 HA ILE 15 HA ILE 15 -7.668 -1.260 -1.270 117 HB ILE 15 HB ILE 15 -6.533 -3.089 0.868 118 1HG1 ILE 15 HG12 ILE 15 -6.467 -3.054 -2.160 119 2HG1 ILE 15 HG11 ILE 15 -5.097 -3.014 -1.050 120 1HG2 ILE 15 HG21 ILE 15 -8.164 -4.701 0.329 121 2HG2 ILE 15 HG22 ILE 15 -8.620 -3.874 -1.160 122 3HG2 ILE 15 HG23 ILE 15 -9.089 -3.202 0.401 123 1HD1 ILE 15 HD11 ILE 15 -6.591 -5.313 -2.066 124 2HD1 ILE 15 HD12 ILE 15 -6.462 -5.319 -0.307 125 3HD1 ILE 15 HD13 ILE 15 -5.004 -5.259 -1.298 126 H LYS 16 HN LYS 16 -9.854 -1.128 -0.549 127 HA LYS 16 HA LYS 16 -10.331 0.461 1.834 128 1HB LYS 16 HB2 LYS 16 -12.639 0.340 1.070 129 2HB LYS 16 HB1 LYS 16 -11.593 0.534 -0.337 130 1HG LYS 16 HG2 LYS 16 -11.608 -2.045 -0.468 131 2HG LYS 16 HG1 LYS 16 -12.988 -1.960 0.627 132 1HD LYS 16 HD2 LYS 16 -13.217 -0.067 -1.586 133 2HD LYS 16 HD1 LYS 16 -13.098 -1.737 -2.144 134 1HE LYS 16 HE2 LYS 16 -14.925 -2.350 -0.524 135 2HE LYS 16 HE1 LYS 16 -15.112 -0.622 -0.161 136 1HZ LYS 16 HZ1 LYS 16 -16.589 -1.350 -1.969 137 2HZ LYS 16 HZ2 LYS 16 -15.233 -1.813 -2.882 138 3HZ LYS 16 HZ3 LYS 16 -15.477 -0.179 -2.488 139 H HIS 17 HN HIS 17 -10.888 -0.245 3.863 140 HA HIS 17 HA HIS 17 -11.964 -2.979 4.257 141 1HB HIS 17 HB2 HIS 17 -10.132 -3.739 5.537 142 2HB HIS 17 HB1 HIS 17 -9.359 -2.879 4.209 143 HD1 HIS 17 HD1 HIS 17 -10.153 0.006 5.526 144 HD2 HIS 17 HD2 HIS 17 -7.985 -3.073 7.311 145 HE1 HIS 17 HE1 HIS 17 -8.766 1.075 7.352 146 H GLN 18 HN GLN 18 -11.815 -3.128 7.007 147 HA GLN 18 HA GLN 18 -13.908 -1.497 7.949 148 1HB GLN 18 HB2 GLN 18 -11.814 -3.269 9.040 149 2HB GLN 18 HB1 GLN 18 -12.439 -2.093 10.196 150 1HG GLN 18 HG2 GLN 18 -14.579 -3.288 8.625 151 2HG GLN 18 HG1 GLN 18 -13.645 -4.511 9.488 152 1HE2 GLN 18 HE21 GLN 18 -14.263 -4.828 11.633 153 2HE2 GLN 18 HE22 GLN 18 -15.107 -3.700 12.580 154 H GLY 19 HN GLY 19 -10.779 -1.141 9.541 155 1HA GLY 19 HA2 GLY 19 -9.784 0.811 10.415 156 2HA GLY 19 HA1 GLY 19 -9.956 1.391 8.758 157 H SER 20 HN SER 20 -10.818 3.411 8.868 158 HA SER 20 HA SER 20 -13.320 3.765 10.476 159 1HB SER 20 HB2 SER 20 -10.886 4.673 11.270 160 2HB SER 20 HB1 SER 20 -11.411 6.034 10.283 161 HG SER 20 HG SER 20 -13.133 4.845 12.173 162 H ARG 21 HN ARG 21 -14.547 5.736 9.724 163 HA ARG 21 HA ARG 21 -15.566 6.955 7.975 164 1HB ARG 21 HB2 ARG 21 -12.687 6.928 7.008 165 2HB ARG 21 HB1 ARG 21 -13.931 8.079 6.515 166 1HG ARG 21 HG2 ARG 21 -13.621 7.841 9.432 167 2HG ARG 21 HG1 ARG 21 -12.190 8.463 8.610 168 1HD ARG 21 HD2 ARG 21 -15.013 9.572 8.372 169 2HD ARG 21 HD1 ARG 21 -13.634 10.353 9.172 170 HE ARG 21 HE ARG 21 -12.497 10.302 6.901 171 1HH1 ARG 21 HH11 ARG 21 -15.216 11.936 7.244 172 2HH1 ARG 21 HH12 ARG 21 -15.855 11.716 5.649 173 1HH2 ARG 21 HH21 ARG 21 -13.614 9.203 4.812 174 2HH2 ARG 21 HH22 ARG 21 -14.948 10.167 4.272 175 H ARG 22 HN ARG 22 -14.277 6.809 5.190 176 HA ARG 22 HA ARG 22 -14.896 3.993 4.440 177 1HB ARG 22 HB2 ARG 22 -16.990 5.347 4.421 178 2HB ARG 22 HB1 ARG 22 -16.236 6.457 3.276 179 1HG ARG 22 HG2 ARG 22 -17.628 4.830 2.076 180 2HG ARG 22 HG1 ARG 22 -15.926 4.578 1.683 181 1HD ARG 22 HD2 ARG 22 -15.796 2.729 3.299 182 2HD ARG 22 HD1 ARG 22 -17.488 3.000 3.763 183 HE ARG 22 HE ARG 22 -16.569 1.951 1.139 184 1HH1 ARG 22 HH11 ARG 22 -19.093 3.468 2.889 185 2HH1 ARG 22 HH12 ARG 22 -20.358 2.553 2.139 186 1HH2 ARG 22 HH21 ARG 22 -18.191 0.550 0.317 187 2HH2 ARG 22 HH22 ARG 22 -19.847 0.901 0.683 188 H LYS 23 HN LYS 23 -13.284 3.359 3.066 189 HA LYS 23 HA LYS 23 -11.595 3.458 1.419 190 1HB LYS 23 HB2 LYS 23 -13.855 4.927 0.583 191 2HB LYS 23 HB1 LYS 23 -12.461 5.926 0.171 192 1HG LYS 23 HG2 LYS 23 -11.851 3.198 -0.470 193 2HG LYS 23 HG1 LYS 23 -13.406 3.616 -1.191 194 1HD LYS 23 HD2 LYS 23 -12.494 5.204 -2.580 195 2HD LYS 23 HD1 LYS 23 -11.231 5.637 -1.426 196 1HE LYS 23 HE2 LYS 23 -10.096 4.508 -3.210 197 2HE LYS 23 HE1 LYS 23 -10.234 3.298 -1.919 198 1HZ LYS 23 HZ1 LYS 23 -11.757 2.126 -3.054 199 2HZ LYS 23 HZ2 LYS 23 -11.144 2.930 -4.419 200 3HZ LYS 23 HZ3 LYS 23 -12.544 3.506 -3.648 201 H ALA 24 HN ALA 24 -12.165 6.969 1.663 202 HA ALA 24 HA ALA 24 -10.136 7.644 3.520 203 1HB ALA 24 HB1 ALA 24 -9.258 7.080 0.692 204 2HB ALA 24 HB2 ALA 24 -8.513 6.558 2.203 205 3HB ALA 24 HB3 ALA 24 -8.371 8.237 1.685 206 H SER 25 HN SER 25 -11.851 9.281 3.751 207 HA SER 25 HA SER 25 -12.803 11.410 3.351 208 1HB SER 25 HB2 SER 25 -9.966 11.385 2.726 209 2HB SER 25 HB1 SER 25 -10.807 12.586 1.751 210 HG SER 25 HG SER 25 -10.079 12.828 4.232 211 H TRP 26 HN TRP 26 -14.282 10.049 1.813 212 HA TRP 26 HA TRP 26 -14.011 11.156 -0.962 213 1HB TRP 26 HB2 TRP 26 -14.148 8.406 0.058 214 2HB TRP 26 HB1 TRP 26 -15.332 8.732 -1.207 215 HD1 TRP 26 HD1 TRP 26 -12.135 7.317 -1.037 216 HE1 TRP 26 HE1 TRP 26 -10.691 7.780 -3.121 217 HE3 TRP 26 HE3 TRP 26 -14.737 11.214 -3.068 218 HZ2 TRP 26 HZ2 TRP 26 -10.644 9.569 -5.353 219 HZ3 TRP 26 HZ3 TRP 26 -13.971 12.278 -5.170 220 HH2 TRP 26 HH2 TRP 26 -11.930 11.460 -6.315 221 H LYS 27 HN LYS 27 -15.936 11.933 -1.841 222 HA LYS 27 HA LYS 27 -18.451 11.514 -0.264 223 1HB LYS 27 HB2 LYS 27 -18.918 13.903 -0.585 224 2HB LYS 27 HB1 LYS 27 -17.346 13.708 0.191 225 1HG LYS 27 HG2 LYS 27 -16.612 13.631 -2.427 226 2HG LYS 27 HG1 LYS 27 -18.001 14.714 -2.515 227 1HD LYS 27 HD2 LYS 27 -16.665 16.371 -1.784 228 2HD LYS 27 HD1 LYS 27 -16.571 15.531 -0.236 229 1HE LYS 27 HE2 LYS 27 -14.801 14.448 -2.357 230 2HE LYS 27 HE1 LYS 27 -14.380 16.065 -1.759 231 1HZ LYS 27 HZ1 LYS 27 -14.643 13.546 -0.250 232 2HZ LYS 27 HZ2 LYS 27 -14.886 15.034 0.534 233 3HZ LYS 27 HZ3 LYS 27 -13.393 14.690 -0.200 234 H ASP 28 HN ASP 28 -18.027 9.914 -2.423 235 HA ASP 28 HA ASP 28 -19.781 11.128 -4.523 236 1HB ASP 28 HB2 ASP 28 -17.048 10.082 -4.669 237 2HB ASP 28 HB1 ASP 28 -18.126 9.331 -5.847 238 HA PRO 29 HA PRO 29 -20.615 6.461 -4.769 239 1HB PRO 29 HB2 PRO 29 -19.018 4.725 -3.377 240 2HB PRO 29 HB1 PRO 29 -18.660 5.253 -5.034 241 1HG PRO 29 HG2 PRO 29 -17.523 6.215 -2.454 242 2HG PRO 29 HG1 PRO 29 -16.715 5.921 -4.002 243 1HD PRO 29 HD2 PRO 29 -17.391 8.398 -3.145 244 2HD PRO 29 HD1 PRO 29 -17.330 7.957 -4.863 245 H GLU 30 HN GLU 30 -22.362 5.881 -3.523 246 HA GLU 30 HA GLU 30 -22.145 6.252 -0.552 247 1HB GLU 30 HB2 GLU 30 -24.336 6.748 -2.574 248 2HB GLU 30 HB1 GLU 30 -24.685 6.639 -0.848 249 1HG GLU 30 HG2 GLU 30 -22.497 8.451 -1.841 250 2HG GLU 30 HG1 GLU 30 -24.177 8.986 -1.871 251 H GLY 31 HN GLY 31 -21.379 3.884 -0.713 252 1HA GLY 31 HA2 GLY 31 -23.127 1.802 -1.585 253 2HA GLY 31 HA1 GLY 31 -21.839 1.603 -0.396 254 H LYS 32 HN LYS 32 -23.014 3.713 1.344 255 HA LYS 32 HA LYS 32 -24.471 3.787 3.200 256 1HB LYS 32 HB2 LYS 32 -25.970 3.007 0.784 257 2HB LYS 32 HB1 LYS 32 -26.782 2.603 2.297 258 1HG LYS 32 HG2 LYS 32 -25.975 5.096 2.908 259 2HG LYS 32 HG1 LYS 32 -26.119 5.271 1.159 260 1HD LYS 32 HD2 LYS 32 -28.394 5.015 1.182 261 2HD LYS 32 HD1 LYS 32 -28.352 3.863 2.517 262 1HE LYS 32 HE2 LYS 32 -27.458 6.179 3.730 263 2HE LYS 32 HE1 LYS 32 -28.687 6.782 2.599 264 1HZ LYS 32 HZ1 LYS 32 -30.314 5.457 3.507 265 2HZ LYS 32 HZ2 LYS 32 -29.419 5.850 4.897 266 3HZ LYS 32 HZ3 LYS 32 -29.213 4.338 4.149 267 H ILE 33 HN ILE 33 -23.741 2.396 4.793 268 HA ILE 33 HA ILE 33 -23.533 0.417 6.068 269 HB ILE 33 HB ILE 33 -26.000 -0.569 4.662 270 1HG1 ILE 33 HG12 ILE 33 -25.815 1.899 6.416 271 2HG1 ILE 33 HG11 ILE 33 -26.451 1.803 4.774 272 1HG2 ILE 33 HG21 ILE 33 -26.338 -1.670 6.615 273 2HG2 ILE 33 HG22 ILE 33 -25.934 -0.252 7.583 274 3HG2 ILE 33 HG23 ILE 33 -24.651 -1.288 6.957 275 1HD1 ILE 33 HD11 ILE 33 -27.707 0.984 7.344 276 2HD1 ILE 33 HD12 ILE 33 -28.022 -0.045 5.946 277 3HD1 ILE 33 HD13 ILE 33 -28.449 1.666 5.896 278 H ILE 34 HN ILE 34 -24.521 -2.221 5.223 279 HA ILE 34 HA ILE 34 -23.690 -4.101 4.061 280 HB ILE 34 HB ILE 34 -23.492 -1.877 2.006 281 1HG1 ILE 34 HG12 ILE 34 -25.512 -4.121 2.286 282 2HG1 ILE 34 HG11 ILE 34 -25.754 -2.512 2.969 283 1HG2 ILE 34 HG21 ILE 34 -23.456 -4.862 1.492 284 2HG2 ILE 34 HG22 ILE 34 -21.998 -3.872 1.532 285 3HG2 ILE 34 HG23 ILE 34 -23.236 -3.569 0.313 286 1HD1 ILE 34 HD11 ILE 34 -26.742 -2.965 0.624 287 2HD1 ILE 34 HD12 ILE 34 -25.075 -2.893 0.053 288 3HD1 ILE 34 HD13 ILE 34 -25.800 -1.488 0.835 289 H LEU 35 HN LEU 35 -21.780 -4.152 5.522 290 HA LEU 35 HA LEU 35 -19.343 -2.744 4.985 291 1HB LEU 35 HB2 LEU 35 -20.354 -4.945 6.648 292 2HB LEU 35 HB1 LEU 35 -18.653 -5.127 6.219 293 HG LEU 35 HG LEU 35 -18.442 -2.626 6.902 294 1HD1 LEU 35 HD11 LEU 35 -20.631 -3.115 8.829 295 2HD1 LEU 35 HD12 LEU 35 -21.153 -2.816 7.171 296 3HD1 LEU 35 HD13 LEU 35 -20.162 -1.623 8.012 297 1HD2 LEU 35 HD21 LEU 35 -17.570 -4.668 8.141 298 2HD2 LEU 35 HD22 LEU 35 -19.050 -4.624 9.098 299 3HD2 LEU 35 HD23 LEU 35 -17.918 -3.272 9.161 300 H THR 36 HN THR 36 -17.286 -3.892 4.261 301 HA THR 36 HA THR 36 -17.826 -5.940 2.141 302 HB THR 36 HB THR 36 -16.110 -4.576 0.803 303 HG1 THR 36 HG1 THR 36 -15.434 -2.773 1.640 304 1HG2 THR 36 HG21 THR 36 -17.948 -2.671 0.489 305 2HG2 THR 36 HG22 THR 36 -18.907 -3.775 1.475 306 3HG2 THR 36 HG23 THR 36 -18.233 -4.323 -0.060 307 H THR 37 HN THR 37 -14.805 -4.260 2.832 308 HA THR 37 HA THR 37 -13.575 -6.883 3.545 309 HB THR 37 HB THR 37 -12.540 -4.210 2.565 310 HG1 THR 37 HG1 THR 37 -11.751 -5.867 0.941 311 1HG2 THR 37 HG21 THR 37 -10.556 -6.297 2.557 312 2HG2 THR 37 HG22 THR 37 -11.168 -6.073 4.196 313 3HG2 THR 37 HG23 THR 37 -10.481 -4.707 3.316 314 H THR 38 HN THR 38 -12.416 -7.123 5.492 315 HA THR 38 HA THR 38 -12.621 -4.851 7.443 316 HB THR 38 HB THR 38 -13.198 -6.491 9.117 317 HG1 THR 38 HG1 THR 38 -12.228 -8.327 8.839 318 1HG2 THR 38 HG21 THR 38 -14.906 -5.815 7.254 319 2HG2 THR 38 HG22 THR 38 -15.310 -7.139 8.347 320 3HG2 THR 38 HG23 THR 38 -14.718 -7.487 6.722 321 H ARG 39 HN ARG 39 -11.179 -6.336 9.477 322 HA ARG 39 HA ARG 39 -8.469 -5.703 8.782 323 1HB ARG 39 HB2 ARG 39 -10.030 -6.657 11.017 324 2HB ARG 39 HB1 ARG 39 -8.528 -7.574 10.904 325 1HG ARG 39 HG2 ARG 39 -8.416 -4.595 10.594 326 2HG ARG 39 HG1 ARG 39 -8.591 -5.273 12.213 327 1HD ARG 39 HD2 ARG 39 -6.556 -6.573 11.961 328 2HD ARG 39 HD1 ARG 39 -6.420 -6.102 10.256 329 HE ARG 39 HE ARG 39 -6.620 -3.720 11.785 330 1HH1 ARG 39 HH21 ARG 39 -4.421 -4.606 9.809 331 2HH1 ARG 39 HH22 ARG 39 -3.024 -4.513 10.829 332 1HH2 ARG 39 HH11 ARG 39 -4.856 -4.364 13.770 333 2HH2 ARG 39 HH12 ARG 39 -3.271 -4.375 13.072 334 H GLU 40 HN GLU 40 -9.520 -8.959 9.768 335 HA GLU 40 HA GLU 40 -7.468 -10.441 8.604 336 1HB GLU 40 HB2 GLU 40 -9.288 -11.295 10.048 337 2HB GLU 40 HB1 GLU 40 -10.436 -11.072 8.732 338 1HG GLU 40 HG2 GLU 40 -9.732 -13.412 8.803 339 2HG GLU 40 HG1 GLU 40 -9.102 -12.652 7.341 340 H ALA 41 HN ALA 41 -10.637 -9.799 7.089 341 HA ALA 41 HA ALA 41 -10.210 -10.824 4.537 342 1HB ALA 41 HB1 ALA 41 -12.279 -9.933 4.407 343 2HB ALA 41 HB2 ALA 41 -11.573 -8.320 4.320 344 3HB ALA 41 HB3 ALA 41 -11.974 -9.023 5.887 345 H ALA 42 HN ALA 42 -9.458 -7.484 5.588 346 HA ALA 42 HA ALA 42 -8.433 -6.385 3.265 347 1HB ALA 42 HB1 ALA 42 -6.686 -5.391 5.024 348 2HB ALA 42 HB2 ALA 42 -7.755 -6.197 6.169 349 3HB ALA 42 HB3 ALA 42 -8.394 -4.960 5.090 350 H VAL 43 HN VAL 43 -6.268 -7.963 5.641 351 HA VAL 43 HA VAL 43 -4.021 -8.203 3.952 352 HB VAL 43 HB VAL 43 -5.101 -9.845 6.251 353 1HG1 VAL 43 HG11 VAL 43 -2.338 -10.331 5.980 354 2HG1 VAL 43 HG12 VAL 43 -3.024 -10.568 4.373 355 3HG1 VAL 43 HG13 VAL 43 -3.649 -11.488 5.742 356 1HG2 VAL 43 HG21 VAL 43 -4.233 -8.089 7.379 357 2HG2 VAL 43 HG22 VAL 43 -3.499 -7.439 5.913 358 3HG2 VAL 43 HG23 VAL 43 -2.641 -8.650 6.866 359 H GLU 44 HN GLU 44 -6.907 -10.231 4.213 360 HA GLU 44 HA GLU 44 -6.005 -12.435 2.616 361 1HB GLU 44 HB2 GLU 44 -8.133 -12.020 4.115 362 2HB GLU 44 HB1 GLU 44 -8.835 -11.412 2.615 363 1HG GLU 44 HG2 GLU 44 -7.674 -13.728 1.745 364 2HG GLU 44 HG1 GLU 44 -8.144 -14.181 3.383 365 H GLN 45 HN GLN 45 -7.876 -9.517 1.761 366 HA GLN 45 HA GLN 45 -8.083 -9.930 -1.032 367 1HB GLN 45 HB2 GLN 45 -9.023 -8.108 0.579 368 2HB GLN 45 HB1 GLN 45 -7.510 -7.261 0.263 369 1HG GLN 45 HG2 GLN 45 -9.281 -6.518 -1.289 370 2HG GLN 45 HG1 GLN 45 -7.970 -7.319 -2.156 371 1HE2 GLN 45 HE21 GLN 45 -9.142 -8.257 -3.893 372 2HE2 GLN 45 HE22 GLN 45 -10.406 -9.369 -3.678 373 H LEU 46 HN LEU 46 -5.524 -8.443 0.910 374 HA LEU 46 HA LEU 46 -3.776 -7.785 -1.294 375 1HB LEU 46 HB2 LEU 46 -3.798 -7.826 1.659 376 2HB LEU 46 HB1 LEU 46 -2.200 -8.049 0.948 377 HG LEU 46 HG LEU 46 -3.425 -5.993 -0.547 378 1HD1 LEU 46 HD11 LEU 46 -3.474 -5.029 2.259 379 2HD1 LEU 46 HD12 LEU 46 -4.814 -6.075 1.787 380 3HD1 LEU 46 HD13 LEU 46 -4.502 -4.584 0.897 381 1HD2 LEU 46 HD21 LEU 46 -1.444 -5.673 1.724 382 2HD2 LEU 46 HD22 LEU 46 -1.578 -4.688 0.267 383 3HD2 LEU 46 HD23 LEU 46 -1.002 -6.351 0.157 384 H LYS 47 HN LYS 47 -4.302 -10.648 0.683 385 HA LYS 47 HA LYS 47 -1.929 -12.105 0.209 386 1HB LYS 47 HB2 LYS 47 -4.052 -12.565 1.641 387 2HB LYS 47 HB1 LYS 47 -4.697 -13.306 0.176 388 1HG LYS 47 HG2 LYS 47 -3.332 -15.115 0.343 389 2HG LYS 47 HG1 LYS 47 -1.950 -14.141 0.848 390 1HD LYS 47 HD2 LYS 47 -4.293 -14.859 2.634 391 2HD LYS 47 HD1 LYS 47 -2.735 -15.687 2.643 392 1HE LYS 47 HE2 LYS 47 -3.297 -12.798 3.381 393 2HE LYS 47 HE1 LYS 47 -2.575 -14.064 4.395 394 1HZ LYS 47 HZ1 LYS 47 -1.406 -12.629 2.109 395 2HZ LYS 47 HZ2 LYS 47 -0.900 -14.219 2.432 396 3HZ LYS 47 HZ3 LYS 47 -0.707 -13.007 3.607 397 H SER 48 HN SER 48 -4.829 -11.736 -1.799 398 HA SER 48 HA SER 48 -3.810 -13.509 -3.908 399 1HB SER 48 HB2 SER 48 -5.906 -12.205 -5.000 400 2HB SER 48 HB1 SER 48 -6.116 -13.537 -3.868 401 HG SER 48 HG SER 48 -6.651 -12.154 -2.320 402 H ILE 49 HN ILE 49 -3.872 -10.064 -3.181 403 HA ILE 49 HA ILE 49 -3.221 -9.083 -5.791 404 HB ILE 49 HB ILE 49 -3.645 -8.127 -3.147 405 1HG1 ILE 49 HG12 ILE 49 -4.749 -7.185 -5.051 406 2HG1 ILE 49 HG11 ILE 49 -3.731 -5.907 -4.385 407 1HG2 ILE 49 HG21 ILE 49 -0.966 -7.318 -4.290 408 2HG2 ILE 49 HG22 ILE 49 -1.337 -7.865 -2.655 409 3HG2 ILE 49 HG23 ILE 49 -1.862 -6.270 -3.191 410 1HD1 ILE 49 HD11 ILE 49 -2.716 -5.721 -6.383 411 2HD1 ILE 49 HD12 ILE 49 -3.648 -7.079 -7.013 412 3HD1 ILE 49 HD13 ILE 49 -2.111 -7.367 -6.196 413 H ARG 50 HN ARG 50 -1.084 -9.681 -2.981 414 HA ARG 50 HA ARG 50 1.399 -9.297 -4.294 415 1HB ARG 50 HB2 ARG 50 0.976 -9.615 -1.837 416 2HB ARG 50 HB1 ARG 50 0.671 -11.325 -2.148 417 1HG ARG 50 HG2 ARG 50 3.150 -10.552 -3.397 418 2HG ARG 50 HG1 ARG 50 3.177 -10.086 -1.696 419 1HD ARG 50 HD2 ARG 50 2.001 -12.718 -1.961 420 2HD ARG 50 HD1 ARG 50 3.600 -12.680 -2.732 421 HE ARG 50 HE ARG 50 3.058 -11.956 0.113 422 1HH1 ARG 50 HH11 ARG 50 5.343 -10.555 -1.459 423 2HH1 ARG 50 HH12 ARG 50 6.693 -11.515 -0.952 424 1HH2 ARG 50 HH21 ARG 50 4.735 -14.075 0.324 425 2HH2 ARG 50 HH22 ARG 50 6.349 -13.505 0.058 426 H GLU 51 HN GLU 51 -0.644 -12.179 -3.973 427 HA GLU 51 HA GLU 51 1.014 -14.040 -5.388 428 1HB GLU 51 HB2 GLU 51 -0.778 -14.885 -4.104 429 2HB GLU 51 HB1 GLU 51 -1.905 -13.690 -4.716 430 1HG GLU 51 HG2 GLU 51 -2.154 -16.111 -5.579 431 2HG GLU 51 HG1 GLU 51 -2.168 -14.812 -6.771 432 H ASP 52 HN ASP 52 -1.872 -12.268 -6.456 433 HA ASP 52 HA ASP 52 -1.730 -12.851 -9.220 434 1HB ASP 52 HB2 ASP 52 -3.514 -11.623 -7.810 435 2HB ASP 52 HB1 ASP 52 -2.528 -10.178 -8.033 436 H ILE 53 HN ILE 53 -0.390 -10.007 -7.493 437 HA ILE 53 HA ILE 53 1.051 -8.954 -9.743 438 HB ILE 53 HB ILE 53 1.459 -8.759 -6.738 439 1HG1 ILE 53 HG12 ILE 53 0.055 -6.967 -8.748 440 2HG1 ILE 53 HG11 ILE 53 -0.721 -7.933 -7.492 441 1HG2 ILE 53 HG21 ILE 53 3.489 -8.161 -8.102 442 2HG2 ILE 53 HG22 ILE 53 2.830 -6.810 -7.180 443 3HG2 ILE 53 HG23 ILE 53 2.518 -6.931 -8.912 444 1HD1 ILE 53 HD11 ILE 53 1.123 -5.562 -7.116 445 2HD1 ILE 53 HD12 ILE 53 0.665 -6.642 -5.798 446 3HD1 ILE 53 HD13 ILE 53 -0.568 -5.697 -6.633 447 H VAL 54 HN VAL 54 1.644 -11.541 -7.494 448 HA VAL 54 HA VAL 54 4.507 -11.759 -7.884 449 HB VAL 54 HB VAL 54 2.266 -13.240 -6.609 450 1HG1 VAL 54 HG11 VAL 54 3.138 -15.121 -7.793 451 2HG1 VAL 54 HG12 VAL 54 3.835 -15.202 -6.175 452 3HG1 VAL 54 HG13 VAL 54 4.803 -14.604 -7.523 453 1HG2 VAL 54 HG21 VAL 54 4.286 -11.626 -5.748 454 2HG2 VAL 54 HG22 VAL 54 4.975 -13.222 -5.449 455 3HG2 VAL 54 HG23 VAL 54 3.432 -12.777 -4.720 456 H SER 55 HN SER 55 1.726 -13.635 -9.136 457 HA SER 55 HA SER 55 3.490 -14.781 -11.242 458 1HB SER 55 HB2 SER 55 0.722 -15.588 -11.346 459 2HB SER 55 HB1 SER 55 2.140 -16.562 -10.979 460 HG SER 55 HG SER 55 1.439 -16.549 -9.003 461 H GLY 56 HN GLY 56 3.275 -14.189 -13.385 462 1HA GLY 56 HA2 GLY 56 2.402 -13.148 -15.297 463 2HA GLY 56 HA1 GLY 56 0.909 -12.856 -14.398 464 H LYS 57 HN LYS 57 3.601 -11.375 -15.685 465 HA LYS 57 HA LYS 57 4.172 -9.300 -13.797 466 1HB LYS 57 HB2 LYS 57 5.591 -9.915 -15.714 467 2HB LYS 57 HB1 LYS 57 4.333 -9.380 -16.828 468 1HG LYS 57 HG2 LYS 57 5.389 -7.375 -16.777 469 2HG LYS 57 HG1 LYS 57 4.643 -7.181 -15.191 470 1HD LYS 57 HD2 LYS 57 6.673 -8.401 -14.234 471 2HD LYS 57 HD1 LYS 57 7.422 -8.199 -15.819 472 1HE LYS 57 HE2 LYS 57 6.270 -5.854 -14.282 473 2HE LYS 57 HE1 LYS 57 7.960 -6.366 -14.111 474 1HZ LYS 57 HZ1 LYS 57 8.244 -5.069 -15.920 475 2HZ LYS 57 HZ2 LYS 57 6.614 -5.163 -16.390 476 3HZ LYS 57 HZ3 LYS 57 7.682 -6.432 -16.756 477 H ALA 58 HN ALA 58 1.487 -9.372 -13.559 478 HA ALA 58 HA ALA 58 -0.169 -7.879 -15.273 479 1HB ALA 58 HB1 ALA 58 -0.054 -8.135 -12.253 480 2HB ALA 58 HB2 ALA 58 -0.926 -9.188 -13.367 481 3HB ALA 58 HB3 ALA 58 -1.449 -7.519 -13.140 482 H ASN 59 HN ASN 59 -1.153 -5.660 -14.198 483 HA ASN 59 HA ASN 59 1.039 -3.695 -14.436 484 1HB ASN 59 HB2 ASN 59 -1.862 -3.865 -14.782 485 2HB ASN 59 HB1 ASN 59 -1.373 -2.382 -13.959 486 1HD2 ASN 59 HD21 ASN 59 1.021 -1.711 -15.146 487 2HD2 ASN 59 HD22 ASN 59 0.827 -1.495 -16.819 488 H PHE 60 HN PHE 60 -0.075 -1.639 -12.818 489 HA PHE 60 HA PHE 60 -0.532 -2.515 -10.098 490 1HB PHE 60 HB2 PHE 60 1.807 -3.225 -10.398 491 2HB PHE 60 HB1 PHE 60 2.248 -1.588 -10.885 492 HD1 PHE 60 HD1 PHE 60 1.811 0.324 -9.219 493 HD2 PHE 60 HD2 PHE 60 1.757 -3.828 -8.117 494 HE1 PHE 60 HE1 PHE 60 2.106 0.952 -6.838 495 HE2 PHE 60 HE2 PHE 60 2.054 -3.200 -5.737 496 HZ PHE 60 HZ PHE 60 2.228 -0.810 -5.097 497 H GLU 61 HN GLU 61 0.647 0.044 -12.253 498 HA GLU 61 HA GLU 61 0.312 2.253 -10.463 499 1HB GLU 61 HB2 GLU 61 0.510 1.777 -13.407 500 2HB GLU 61 HB1 GLU 61 -0.056 3.361 -12.879 501 1HG GLU 61 HG2 GLU 61 2.282 2.374 -11.386 502 2HG GLU 61 HG1 GLU 61 2.588 2.645 -13.103 503 H GLU 62 HN GLU 62 -1.759 1.862 -13.328 504 HA GLU 62 HA GLU 62 -3.978 3.305 -12.542 505 1HB GLU 62 HB2 GLU 62 -3.586 2.089 -14.704 506 2HB GLU 62 HB1 GLU 62 -4.005 0.581 -13.892 507 1HG GLU 62 HG2 GLU 62 -6.223 1.621 -13.284 508 2HG GLU 62 HG1 GLU 62 -5.799 2.984 -14.320 509 H VAL 63 HN VAL 63 -3.184 -0.026 -11.555 510 HA VAL 63 HA VAL 63 -5.585 -0.649 -10.172 511 HB VAL 63 HB VAL 63 -2.672 -1.380 -9.752 512 1HG1 VAL 63 HG11 VAL 63 -4.667 -1.710 -7.865 513 2HG1 VAL 63 HG12 VAL 63 -3.203 -2.684 -7.977 514 3HG1 VAL 63 HG13 VAL 63 -4.696 -3.244 -8.732 515 1HG2 VAL 63 HG21 VAL 63 -3.145 -2.496 -11.675 516 2HG2 VAL 63 HG22 VAL 63 -4.885 -2.294 -11.469 517 3HG2 VAL 63 HG23 VAL 63 -4.043 -3.598 -10.631 518 H ALA 64 HN ALA 64 -2.594 0.900 -9.007 519 HA ALA 64 HA ALA 64 -3.405 1.346 -6.307 520 1HB ALA 64 HB1 ALA 64 -1.510 2.811 -6.279 521 2HB ALA 64 HB2 ALA 64 -1.660 3.146 -8.004 522 3HB ALA 64 HB3 ALA 64 -1.117 1.560 -7.458 523 H THR 65 HN THR 65 -3.405 3.636 -9.060 524 HA THR 65 HA THR 65 -4.585 5.878 -8.027 525 HB THR 65 HB THR 65 -5.949 5.495 -10.409 526 HG1 THR 65 HG1 THR 65 -5.178 3.714 -11.169 527 1HG2 THR 65 HG21 THR 65 -3.187 6.178 -10.906 528 2HG2 THR 65 HG22 THR 65 -3.749 6.953 -9.426 529 3HG2 THR 65 HG23 THR 65 -4.609 7.220 -10.942 530 H ARG 66 HN ARG 66 -6.334 2.885 -8.899 531 HA ARG 66 HA ARG 66 -8.923 3.973 -8.047 532 1HB ARG 66 HB2 ARG 66 -8.386 2.244 -9.886 533 2HB ARG 66 HB1 ARG 66 -8.177 1.090 -8.568 534 1HG ARG 66 HG2 ARG 66 -10.520 2.013 -7.786 535 2HG ARG 66 HG1 ARG 66 -10.667 2.495 -9.477 536 1HD ARG 66 HD2 ARG 66 -10.062 0.107 -10.109 537 2HD ARG 66 HD1 ARG 66 -10.245 -0.306 -8.392 538 HE ARG 66 HE ARG 66 -12.552 1.093 -8.926 539 1HH1 ARG 66 HH21 ARG 66 -10.985 -1.755 -10.035 540 2HH1 ARG 66 HH22 ARG 66 -12.394 -2.394 -10.814 541 1HH2 ARG 66 HH11 ARG 66 -14.366 0.368 -10.100 542 2HH2 ARG 66 HH12 ARG 66 -14.309 -1.192 -10.851 543 H VAL 67 HN VAL 67 -6.912 1.247 -6.935 544 HA VAL 67 HA VAL 67 -8.248 1.285 -4.287 545 HB VAL 67 HB VAL 67 -7.844 -0.814 -5.573 546 1HG1 VAL 67 HG11 VAL 67 -5.248 0.404 -5.870 547 2HG1 VAL 67 HG12 VAL 67 -5.900 -1.019 -6.680 548 3HG1 VAL 67 HG13 VAL 67 -5.073 -1.187 -5.131 549 1HG2 VAL 67 HG21 VAL 67 -7.208 -2.080 -3.722 550 2HG2 VAL 67 HG22 VAL 67 -7.678 -0.561 -2.960 551 3HG2 VAL 67 HG23 VAL 67 -5.973 -0.922 -3.228 552 H SER 68 HN SER 68 -7.028 3.600 -4.296 553 HA SER 68 HA SER 68 -4.328 3.194 -3.042 554 1HB SER 68 HB2 SER 68 -4.258 5.710 -3.961 555 2HB SER 68 HB1 SER 68 -3.878 4.337 -4.992 556 HG SER 68 HG SER 68 -5.944 4.390 -5.794 557 H ASP 69 HN ASP 69 -3.747 4.911 -1.457 558 HA ASP 69 HA ASP 69 -5.871 5.433 0.453 559 1HB ASP 69 HB2 ASP 69 -3.504 4.956 1.026 560 2HB ASP 69 HB1 ASP 69 -3.025 6.460 0.239 561 H CYS 70 HN CYS 70 -7.137 6.630 -1.383 562 HA CYS 70 HA CYS 70 -7.920 8.659 -2.294 563 1HB CYS 70 HB2 CYS 70 -8.399 9.074 0.018 564 2HB CYS 70 HB1 CYS 70 -6.704 9.403 0.376 565 HG CYS 70 HG CYS 70 -8.639 11.483 -0.466 566 H SER 71 HN SER 71 -5.302 10.310 -0.637 567 HA SER 71 HA SER 71 -4.342 11.876 -2.712 568 1HB SER 71 HB2 SER 71 -3.656 11.848 -0.302 569 2HB SER 71 HB1 SER 71 -2.727 10.394 -0.614 570 HG SER 71 HG SER 71 -1.199 11.671 -1.260 571 H SER 72 HN SER 72 -3.361 8.587 -1.855 572 HA SER 72 HA SER 72 -1.412 8.158 -3.876 573 1HB SER 72 HB2 SER 72 -3.266 6.512 -2.201 574 2HB SER 72 HB1 SER 72 -2.438 5.704 -3.528 575 HG SER 72 HG SER 72 -0.483 6.333 -2.648 576 H ALA 73 HN ALA 73 -4.978 7.889 -3.992 577 HA ALA 73 HA ALA 73 -5.308 6.676 -6.519 578 1HB ALA 73 HB1 ALA 73 -6.982 7.715 -4.749 579 2HB ALA 73 HB2 ALA 73 -7.448 7.632 -6.447 580 3HB ALA 73 HB3 ALA 73 -6.851 9.147 -5.770 581 H LYS 74 HN LYS 74 -4.205 9.851 -5.592 582 HA LYS 74 HA LYS 74 -4.006 10.837 -8.377 583 1HB LYS 74 HB2 LYS 74 -4.540 12.129 -6.164 584 2HB LYS 74 HB1 LYS 74 -2.803 12.044 -5.876 585 1HG LYS 74 HG2 LYS 74 -3.393 12.882 -8.601 586 2HG LYS 74 HG1 LYS 74 -4.129 13.962 -7.417 587 1HD LYS 74 HD2 LYS 74 -1.213 13.127 -7.477 588 2HD LYS 74 HD1 LYS 74 -1.843 14.703 -7.957 589 1HE LYS 74 HE2 LYS 74 -2.921 14.560 -5.484 590 2HE LYS 74 HE1 LYS 74 -1.465 13.577 -5.226 591 1HZ LYS 74 HZ1 LYS 74 -0.084 15.288 -5.973 592 2HZ LYS 74 HZ2 LYS 74 -1.216 16.089 -4.991 593 3HZ LYS 74 HZ3 LYS 74 -1.361 16.149 -6.683 594 H ARG 75 HN ARG 75 -2.063 9.490 -5.795 595 HA ARG 75 HA ARG 75 0.336 9.345 -7.593 596 1HB ARG 75 HB2 ARG 75 -0.043 10.563 -5.088 597 2HB ARG 75 HB1 ARG 75 0.802 9.057 -4.725 598 1HG ARG 75 HG2 ARG 75 1.881 10.398 -7.074 599 2HG ARG 75 HG1 ARG 75 1.983 11.402 -5.629 600 1HD ARG 75 HD2 ARG 75 2.816 9.060 -4.573 601 2HD ARG 75 HD1 ARG 75 3.366 8.836 -6.246 602 HE ARG 75 HE ARG 75 4.376 10.848 -4.371 603 1HH1 ARG 75 HH21 ARG 75 5.966 9.325 -6.461 604 2HH1 ARG 75 HH22 ARG 75 6.315 10.578 -7.604 605 1HH2 ARG 75 HH11 ARG 75 3.917 12.749 -6.357 606 2HH2 ARG 75 HH12 ARG 75 5.156 12.517 -7.545 607 H GLY 76 HN GLY 76 -1.241 7.301 -8.083 608 1HA GLY 76 HA2 GLY 76 -1.241 5.167 -6.136 609 2HA GLY 76 HA1 GLY 76 -1.681 5.009 -7.836 610 H GLY 77 HN GLY 77 1.133 6.349 -8.274 611 1HA GLY 77 HA2 GLY 77 2.482 3.887 -8.887 612 2HA GLY 77 HA1 GLY 77 3.222 5.489 -8.918 613 H ASP 78 HN ASP 78 4.504 6.108 -7.205 614 HA ASP 78 HA ASP 78 4.499 4.366 -4.787 615 1HB ASP 78 HB2 ASP 78 6.950 4.148 -5.009 616 2HB ASP 78 HB1 ASP 78 6.143 3.544 -6.457 617 H LEU 79 HN LEU 79 6.281 5.356 -3.221 618 HA LEU 79 HA LEU 79 5.497 8.140 -2.701 619 1HB LEU 79 HB2 LEU 79 7.303 6.091 -1.372 620 2HB LEU 79 HB1 LEU 79 7.042 7.704 -0.712 621 HG LEU 79 HG LEU 79 4.602 7.245 -0.614 622 1HD1 LEU 79 HD11 LEU 79 4.231 5.631 -2.314 623 2HD1 LEU 79 HD12 LEU 79 4.014 4.737 -0.810 624 3HD1 LEU 79 HD13 LEU 79 5.519 4.586 -1.714 625 1HD2 LEU 79 HD21 LEU 79 5.638 4.890 0.814 626 2HD2 LEU 79 HD22 LEU 79 4.860 6.338 1.455 627 3HD2 LEU 79 HD23 LEU 79 6.585 6.352 1.087 628 H GLY 80 HN GLY 80 8.623 6.487 -2.838 629 1HA GLY 80 HA2 GLY 80 10.159 7.438 -4.714 630 2HA GLY 80 HA1 GLY 80 9.908 8.960 -3.862 631 H SER 81 HN SER 81 10.703 9.174 -1.707 632 HA SER 81 HA SER 81 12.406 6.997 -0.646 633 1HB SER 81 HB2 SER 81 14.402 8.051 -1.036 634 2HB SER 81 HB1 SER 81 13.495 8.699 -2.398 635 HG SER 81 HG SER 81 13.117 10.556 -1.243 636 H PHE 82 HN PHE 82 12.128 6.991 1.545 637 HA PHE 82 HA PHE 82 12.041 9.499 3.067 638 1HB PHE 82 HB2 PHE 82 9.752 8.914 3.990 639 2HB PHE 82 HB1 PHE 82 9.756 9.375 2.291 640 HD1 PHE 82 HD1 PHE 82 10.005 7.424 0.557 641 HD2 PHE 82 HD2 PHE 82 8.759 6.893 4.632 642 HE1 PHE 82 HE1 PHE 82 8.973 5.255 -0.046 643 HE2 PHE 82 HE2 PHE 82 7.722 4.725 4.026 644 HZ PHE 82 HZ PHE 82 7.830 3.906 1.688 645 H GLY 83 HN GLY 83 10.442 7.663 5.112 646 1HA GLY 83 HA2 GLY 83 11.339 5.447 6.083 647 2HA GLY 83 HA1 GLY 83 12.906 6.249 6.031 648 H ARG 84 HN ARG 84 13.026 8.342 7.260 649 HA ARG 84 HA ARG 84 11.452 8.103 9.798 650 1HB ARG 84 HB2 ARG 84 13.510 9.646 10.519 651 2HB ARG 84 HB1 ARG 84 13.676 7.895 10.428 652 1HG ARG 84 HG2 ARG 84 14.239 9.566 7.993 653 2HG ARG 84 HG1 ARG 84 15.462 9.421 9.256 654 1HD ARG 84 HD2 ARG 84 14.463 6.800 8.811 655 2HD ARG 84 HD1 ARG 84 14.787 7.506 7.215 656 HE ARG 84 HE ARG 84 17.018 8.272 8.486 657 1HH1 ARG 84 HH11 ARG 84 16.552 5.546 6.967 658 2HH1 ARG 84 HH12 ARG 84 17.387 4.480 8.047 659 1HH2 ARG 84 HH21 ARG 84 17.552 6.794 10.624 660 2HH2 ARG 84 HH22 ARG 84 17.954 5.187 10.118 661 H GLY 85 HN GLY 85 9.675 9.399 9.227 662 1HA GLY 85 HA2 GLY 85 9.413 12.001 9.787 663 2HA GLY 85 HA1 GLY 85 10.164 12.129 8.192 664 H GLN 86 HN GLN 86 8.878 9.657 7.243 665 HA GLN 86 HA GLN 86 6.068 10.671 6.921 666 1HB GLN 86 HB2 GLN 86 7.572 8.954 4.947 667 2HB GLN 86 HB1 GLN 86 6.212 10.031 4.644 668 1HG GLN 86 HG2 GLN 86 8.015 11.814 5.596 669 2HG GLN 86 HG1 GLN 86 9.102 10.636 4.858 670 1HE2 GLN 86 HE21 GLN 86 7.077 13.310 4.172 671 2HE2 GLN 86 HE22 GLN 86 7.032 13.141 2.484 672 H MET 87 HN MET 87 4.789 8.581 5.903 673 HA MET 87 HA MET 87 3.786 6.538 6.602 674 1HB MET 87 HB2 MET 87 6.664 6.311 6.004 675 2HB MET 87 HB1 MET 87 6.025 4.953 6.933 676 1HG MET 87 HG2 MET 87 5.876 4.690 4.411 677 2HG MET 87 HG1 MET 87 4.352 4.489 5.273 678 1HE MET 87 HE1 MET 87 5.710 8.414 3.323 679 2HE MET 87 HE2 MET 87 6.468 6.890 2.869 680 3HE MET 87 HE3 MET 87 6.556 7.446 4.537 681 H GLN 88 HN GLN 88 4.916 4.558 8.354 682 HA GLN 88 HA GLN 88 5.369 5.993 10.925 683 1HB GLN 88 HB2 GLN 88 3.102 4.103 10.233 684 2HB GLN 88 HB1 GLN 88 3.525 4.518 11.894 685 1HG GLN 88 HG2 GLN 88 2.600 6.402 9.712 686 2HG GLN 88 HG1 GLN 88 1.770 6.019 11.220 687 1HE2 GLN 88 HE21 GLN 88 4.080 6.150 12.969 688 2HE2 GLN 88 HE22 GLN 88 4.578 7.771 13.040 689 H LYS 89 HN LYS 89 5.006 3.609 12.505 690 HA LYS 89 HA LYS 89 7.572 2.339 12.099 691 1HB LYS 89 HB2 LYS 89 5.708 2.728 14.132 692 2HB LYS 89 HB1 LYS 89 5.704 0.982 13.877 693 1HG LYS 89 HG2 LYS 89 8.415 1.934 13.783 694 2HG LYS 89 HG1 LYS 89 7.649 2.523 15.258 695 1HD LYS 89 HD2 LYS 89 6.750 0.045 15.416 696 2HD LYS 89 HD1 LYS 89 8.127 -0.302 14.369 697 1HE LYS 89 HE2 LYS 89 8.480 1.341 16.882 698 2HE LYS 89 HE1 LYS 89 8.536 -0.432 16.927 699 1HZ LYS 89 HZ1 LYS 89 10.372 1.446 15.667 700 2HZ LYS 89 HZ2 LYS 89 10.019 0.040 14.780 701 3HZ LYS 89 HZ3 LYS 89 10.678 -0.080 16.341 702 HA PRO 90 HA PRO 90 4.838 -1.393 10.836 703 1HB PRO 90 HB2 PRO 90 2.478 -0.840 9.575 704 2HB PRO 90 HB1 PRO 90 2.615 -1.082 11.327 705 1HG PRO 90 HG2 PRO 90 2.348 1.430 9.781 706 2HG PRO 90 HG1 PRO 90 1.722 1.014 11.382 707 1HD PRO 90 HD2 PRO 90 3.941 2.575 10.906 708 2HD PRO 90 HD1 PRO 90 3.608 1.728 12.430 709 H PHE 91 HN PHE 91 4.018 1.318 8.577 710 HA PHE 91 HA PHE 91 4.584 -0.189 6.215 711 1HB PHE 91 HB2 PHE 91 3.307 1.904 6.197 712 2HB PHE 91 HB1 PHE 91 4.718 2.796 6.772 713 HD1 PHE 91 HD1 PHE 91 6.922 2.410 5.298 714 HD2 PHE 91 HD2 PHE 91 2.911 1.880 3.859 715 HE1 PHE 91 HE1 PHE 91 7.729 2.611 3.010 716 HE2 PHE 91 HE2 PHE 91 3.745 2.131 1.527 717 HZ PHE 91 HZ PHE 91 6.150 2.498 1.104 718 H GLU 92 HN GLU 92 6.617 2.277 7.832 719 HA GLU 92 HA GLU 92 8.931 2.135 6.326 720 1HB GLU 92 HB2 GLU 92 8.437 2.314 9.304 721 2HB GLU 92 HB1 GLU 92 10.070 2.433 8.648 722 1HG GLU 92 HG2 GLU 92 9.518 4.374 7.368 723 2HG GLU 92 HG1 GLU 92 7.790 4.153 7.651 724 H GLU 93 HN GLU 93 8.582 0.142 9.279 725 HA GLU 93 HA GLU 93 10.661 -1.663 8.841 726 1HB GLU 93 HB2 GLU 93 9.435 -1.787 10.868 727 2HB GLU 93 HB1 GLU 93 7.891 -1.913 10.023 728 1HG GLU 93 HG2 GLU 93 8.583 -4.095 10.964 729 2HG GLU 93 HG1 GLU 93 8.509 -4.148 9.202 730 H ALA 94 HN ALA 94 7.549 -1.447 7.237 731 HA ALA 94 HA ALA 94 7.606 -4.020 5.901 732 1HB ALA 94 HB1 ALA 94 5.804 -2.002 6.310 733 2HB ALA 94 HB2 ALA 94 5.596 -3.244 5.074 734 3HB ALA 94 HB3 ALA 94 6.281 -1.676 4.644 735 H THR 95 HN THR 95 8.253 -0.709 4.834 736 HA THR 95 HA THR 95 9.257 -1.395 2.237 737 HB THR 95 HB THR 95 10.331 1.062 3.221 738 HG1 THR 95 HG1 THR 95 8.814 1.848 4.461 739 1HG2 THR 95 HG21 THR 95 7.707 0.918 1.804 740 2HG2 THR 95 HG22 THR 95 9.131 0.273 0.993 741 3HG2 THR 95 HG23 THR 95 9.091 1.964 1.492 742 H TYR 96 HN TYR 96 10.740 -0.929 5.402 743 HA TYR 96 HA TYR 96 13.490 -1.043 4.453 744 1HB TYR 96 HB2 TYR 96 11.966 -0.976 7.012 745 2HB TYR 96 HB1 TYR 96 13.597 -1.640 7.092 746 HD1 TYR 96 HD1 TYR 96 11.619 1.362 6.882 747 HD2 TYR 96 HD2 TYR 96 15.517 -0.264 6.094 748 HE1 TYR 96 HE1 TYR 96 12.563 3.656 6.818 749 HE2 TYR 96 HE2 TYR 96 16.459 2.030 6.029 750 HH TYR 96 HH TYR 96 15.125 4.551 5.470 751 H ALA 97 HN ALA 97 11.049 -3.380 5.368 752 HA ALA 97 HA ALA 97 12.907 -5.595 5.803 753 1HB ALA 97 HB1 ALA 97 9.912 -5.378 5.367 754 2HB ALA 97 HB2 ALA 97 10.747 -5.497 6.915 755 3HB ALA 97 HB3 ALA 97 10.735 -6.873 5.812 756 H LEU 98 HN LEU 98 10.867 -4.448 3.106 757 HA LEU 98 HA LEU 98 11.547 -6.748 1.415 758 1HB LEU 98 HB2 LEU 98 9.549 -4.853 1.543 759 2HB LEU 98 HB1 LEU 98 10.507 -4.285 0.174 760 HG LEU 98 HG LEU 98 10.449 -6.760 -0.615 761 1HD1 LEU 98 HD11 LEU 98 9.534 -7.615 1.544 762 2HD1 LEU 98 HD12 LEU 98 8.519 -8.038 0.165 763 3HD1 LEU 98 HD13 LEU 98 8.046 -6.719 1.237 764 1HD2 LEU 98 HD21 LEU 98 8.329 -6.369 -1.779 765 2HD2 LEU 98 HD22 LEU 98 9.236 -4.860 -1.690 766 3HD2 LEU 98 HD23 LEU 98 7.881 -5.140 -0.597 767 H LYS 99 HN LYS 99 12.539 -6.234 -0.828 768 HA LYS 99 HA LYS 99 14.333 -3.949 -1.055 769 1HB LYS 99 HB2 LYS 99 16.409 -5.330 -0.818 770 2HB LYS 99 HB1 LYS 99 15.480 -5.243 0.679 771 1HG LYS 99 HG2 LYS 99 14.457 -7.429 0.184 772 2HG LYS 99 HG1 LYS 99 15.366 -7.519 -1.326 773 1HD LYS 99 HD2 LYS 99 17.077 -6.950 0.978 774 2HD LYS 99 HD1 LYS 99 16.222 -8.485 1.133 775 1HE LYS 99 HE2 LYS 99 17.527 -7.821 -1.493 776 2HE LYS 99 HE1 LYS 99 18.528 -8.417 -0.152 777 1HZ LYS 99 HZ1 LYS 99 17.789 -10.386 -1.031 778 2HZ LYS 99 HZ2 LYS 99 16.301 -9.741 -1.540 779 3HZ LYS 99 HZ3 LYS 99 16.562 -10.092 0.103 780 H VAL 100 HN VAL 100 12.631 -4.544 -2.973 781 HA VAL 100 HA VAL 100 12.406 -5.191 -5.237 782 HB VAL 100 HB VAL 100 15.422 -5.232 -4.892 783 1HG1 VAL 100 HG11 VAL 100 15.053 -6.290 -6.955 784 2HG1 VAL 100 HG12 VAL 100 15.212 -4.595 -7.417 785 3HG1 VAL 100 HG13 VAL 100 13.613 -5.330 -7.297 786 1HG2 VAL 100 HG21 VAL 100 14.924 -2.923 -6.141 787 2HG2 VAL 100 HG22 VAL 100 14.872 -3.043 -4.382 788 3HG2 VAL 100 HG23 VAL 100 13.375 -3.092 -5.314 789 H GLY 101 HN GLY 101 12.641 -7.304 -3.028 790 1HA GLY 101 HA2 GLY 101 13.409 -9.573 -4.823 791 2HA GLY 101 HA1 GLY 101 13.730 -9.598 -3.089 792 H ASP 102 HN ASP 102 11.093 -8.246 -2.556 793 HA ASP 102 HA ASP 102 9.290 -10.573 -3.146 794 1HB ASP 102 HB2 ASP 102 9.934 -9.080 -0.607 795 2HB ASP 102 HB1 ASP 102 8.396 -9.928 -0.774 796 H ILE 103 HN ILE 103 6.948 -9.600 -2.095 797 HA ILE 103 HA ILE 103 6.536 -6.979 -3.497 798 HB ILE 103 HB ILE 103 4.798 -9.467 -3.467 799 1HG1 ILE 103 HG12 ILE 103 6.557 -8.157 -5.555 800 2HG1 ILE 103 HG11 ILE 103 6.653 -9.808 -4.944 801 1HG2 ILE 103 HG21 ILE 103 4.076 -7.497 -5.437 802 2HG2 ILE 103 HG22 ILE 103 4.098 -6.740 -3.845 803 3HG2 ILE 103 HG23 ILE 103 3.091 -8.159 -4.133 804 1HD1 ILE 103 HD11 ILE 103 4.049 -9.651 -5.864 805 2HD1 ILE 103 HD12 ILE 103 5.398 -10.373 -6.743 806 3HD1 ILE 103 HD13 ILE 103 4.940 -8.697 -7.050 807 H SER 104 HN SER 104 6.978 -7.311 -0.650 808 HA SER 104 HA SER 104 5.950 -6.855 1.443 809 1HB SER 104 HB2 SER 104 4.017 -5.020 0.703 810 2HB SER 104 HB1 SER 104 5.724 -4.654 0.923 811 HG SER 104 HG SER 104 4.286 -4.547 -1.300 812 H ASP 105 HN ASP 105 4.877 -8.818 2.003 813 HA ASP 105 HA ASP 105 2.573 -9.954 0.930 814 1HB ASP 105 HB2 ASP 105 2.189 -10.601 3.448 815 2HB ASP 105 HB1 ASP 105 3.654 -11.148 2.636 816 H ILE 106 HN ILE 106 2.466 -7.810 3.794 817 HA ILE 106 HA ILE 106 -0.028 -6.591 2.705 818 HB ILE 106 HB ILE 106 -0.514 -6.760 5.420 819 1HG1 ILE 106 HG12 ILE 106 1.542 -8.475 5.265 820 2HG1 ILE 106 HG11 ILE 106 0.171 -8.768 6.328 821 1HG2 ILE 106 HG21 ILE 106 -2.200 -7.123 3.763 822 2HG2 ILE 106 HG22 ILE 106 -2.118 -8.595 4.730 823 3HG2 ILE 106 HG23 ILE 106 -1.369 -8.546 3.134 824 1HD1 ILE 106 HD11 ILE 106 0.919 -10.718 4.820 825 2HD1 ILE 106 HD12 ILE 106 0.211 -9.801 3.489 826 3HD1 ILE 106 HD13 ILE 106 -0.801 -10.330 4.833 827 H VAL 107 HN VAL 107 -0.535 -4.516 3.814 828 HA VAL 107 HA VAL 107 1.833 -3.280 5.176 829 HB VAL 107 HB VAL 107 0.188 -1.864 3.083 830 1HG1 VAL 107 HG11 VAL 107 1.984 -0.850 4.741 831 2HG1 VAL 107 HG12 VAL 107 1.948 -0.339 3.053 832 3HG1 VAL 107 HG13 VAL 107 3.126 -1.538 3.586 833 1HG2 VAL 107 HG21 VAL 107 1.720 -2.593 1.357 834 2HG2 VAL 107 HG22 VAL 107 1.098 -4.041 2.144 835 3HG2 VAL 107 HG23 VAL 107 2.713 -3.453 2.532 836 H ASP 108 HN ASP 108 -0.414 -4.198 6.572 837 HA ASP 108 HA ASP 108 -2.579 -2.368 6.862 838 1HB ASP 108 HB2 ASP 108 -2.790 -3.536 9.086 839 2HB ASP 108 HB1 ASP 108 -2.662 -4.618 7.697 840 H THR 109 HN THR 109 -2.013 -0.208 7.091 841 HA THR 109 HA THR 109 -0.734 0.531 9.679 842 HB THR 109 HB THR 109 0.851 1.962 8.577 843 HG1 THR 109 HG1 THR 109 0.750 2.122 6.249 844 1HG2 THR 109 HG21 THR 109 2.224 0.380 7.597 845 2HG2 THR 109 HG22 THR 109 0.909 -0.338 6.667 846 3HG2 THR 109 HG23 THR 109 1.060 -0.681 8.389 847 H ASP 110 HN ASP 110 -0.690 3.343 9.003 848 HA ASP 110 HA ASP 110 -3.205 4.267 9.727 849 1HB ASP 110 HB2 ASP 110 -2.470 6.332 8.336 850 2HB ASP 110 HB1 ASP 110 -1.383 5.789 9.614 851 H SER 111 HN SER 111 -4.974 5.207 8.410 852 HA SER 111 HA SER 111 -6.477 5.223 6.579 853 1HB SER 111 HB2 SER 111 -4.283 3.940 4.961 854 2HB SER 111 HB1 SER 111 -5.513 5.080 4.431 855 HG SER 111 HG SER 111 -3.286 5.895 4.829 856 H GLY 112 HN GLY 112 -4.423 2.298 6.315 857 1HA GLY 112 HA2 GLY 112 -6.211 0.404 7.272 858 2HA GLY 112 HA1 GLY 112 -6.698 0.637 5.594 859 H VAL 113 HN VAL 113 -5.996 -1.355 4.786 860 HA VAL 113 HA VAL 113 -3.166 -2.131 5.242 861 HB VAL 113 HB VAL 113 -3.976 -4.233 4.093 862 1HG1 VAL 113 HG11 VAL 113 -4.061 -3.753 6.616 863 2HG1 VAL 113 HG12 VAL 113 -5.127 -5.026 6.021 864 3HG1 VAL 113 HG13 VAL 113 -5.778 -3.427 6.382 865 1HG2 VAL 113 HG21 VAL 113 -6.783 -3.443 4.493 866 2HG2 VAL 113 HG22 VAL 113 -6.047 -4.349 3.170 867 3HG2 VAL 113 HG23 VAL 113 -5.979 -2.586 3.178 868 H HIS 114 HN HIS 114 -1.657 -1.620 3.764 869 HA HIS 114 HA HIS 114 -2.587 -0.853 1.034 870 1HB HIS 114 HB2 HIS 114 0.032 -0.165 2.385 871 2HB HIS 114 HB1 HIS 114 -0.715 0.651 1.019 872 HD1 HIS 114 HD1 HIS 114 -1.563 2.859 1.766 873 HD2 HIS 114 HD2 HIS 114 -2.143 -0.057 4.685 874 HE1 HIS 114 HE1 HIS 114 -2.769 3.995 3.682 875 H ILE 115 HN ILE 115 -0.474 -1.063 -0.496 876 HA ILE 115 HA ILE 115 0.836 -3.702 -0.058 877 HB ILE 115 HB ILE 115 -0.513 -4.640 -1.629 878 1HG1 ILE 115 HG12 ILE 115 0.466 -2.518 -3.563 879 2HG1 ILE 115 HG11 ILE 115 1.372 -3.967 -3.138 880 1HG2 ILE 115 HG21 ILE 115 -1.569 -1.837 -1.894 881 2HG2 ILE 115 HG22 ILE 115 -2.375 -3.277 -1.273 882 3HG2 ILE 115 HG23 ILE 115 -2.105 -3.096 -3.006 883 1HD1 ILE 115 HD11 ILE 115 -1.426 -4.455 -3.946 884 2HD1 ILE 115 HD12 ILE 115 0.042 -5.323 -4.395 885 3HD1 ILE 115 HD13 ILE 115 -0.387 -3.826 -5.224 886 H ILE 116 HN ILE 116 2.993 -3.344 -0.256 887 HA ILE 116 HA ILE 116 3.952 -0.875 -1.558 888 HB ILE 116 HB ILE 116 5.544 -3.058 -0.212 889 1HG1 ILE 116 HG12 ILE 116 3.569 -2.370 1.188 890 2HG1 ILE 116 HG11 ILE 116 5.120 -1.995 1.909 891 1HG2 ILE 116 HG21 ILE 116 5.914 -0.061 -0.423 892 2HG2 ILE 116 HG22 ILE 116 6.787 -1.268 -1.366 893 3HG2 ILE 116 HG23 ILE 116 7.013 -1.181 0.381 894 1HD1 ILE 116 HD11 ILE 116 4.951 0.311 1.057 895 2HD1 ILE 116 HD12 ILE 116 3.627 -0.097 2.149 896 3HD1 ILE 116 HD13 ILE 116 3.357 -0.070 0.406 897 H LYS 117 HN LYS 117 5.688 -0.901 -3.111 898 HA LYS 117 HA LYS 117 6.366 -3.420 -4.495 899 1HB LYS 117 HB2 LYS 117 4.102 -2.222 -5.297 900 2HB LYS 117 HB1 LYS 117 5.245 -1.241 -6.213 901 1HG LYS 117 HG2 LYS 117 4.569 -3.126 -7.586 902 2HG LYS 117 HG1 LYS 117 6.256 -3.339 -7.118 903 1HD LYS 117 HD2 LYS 117 4.997 -4.576 -5.042 904 2HD LYS 117 HD1 LYS 117 3.875 -4.921 -6.358 905 1HE LYS 117 HE2 LYS 117 5.448 -6.715 -6.430 906 2HE LYS 117 HE1 LYS 117 5.993 -5.608 -7.706 907 1HZ LYS 117 HZ1 LYS 117 7.598 -4.669 -6.302 908 2HZ LYS 117 HZ2 LYS 117 7.733 -6.340 -6.030 909 3HZ LYS 117 HZ3 LYS 117 6.924 -5.356 -4.907 910 H ARG 118 HN ARG 118 8.565 -3.169 -4.684 911 HA ARG 118 HA ARG 118 9.700 -0.431 -4.956 912 1HB ARG 118 HB2 ARG 118 10.334 -2.498 -3.358 913 2HB ARG 118 HB1 ARG 118 11.371 -2.892 -4.730 914 1HG ARG 118 HG2 ARG 118 12.811 -1.472 -3.643 915 2HG ARG 118 HG1 ARG 118 11.899 -0.259 -4.543 916 1HD ARG 118 HD2 ARG 118 11.757 0.605 -2.372 917 2HD ARG 118 HD1 ARG 118 10.289 -0.393 -2.422 918 HE ARG 118 HE ARG 118 11.469 -2.123 -1.183 919 1HH1 ARG 118 HH11 ARG 118 14.242 -1.758 -2.124 920 2HH1 ARG 118 HH12 ARG 118 15.010 -0.985 -0.778 921 1HH2 ARG 118 HH21 ARG 118 12.035 -0.036 0.721 922 2HH2 ARG 118 HH22 ARG 118 13.763 -0.014 0.830 923 H THR 119 HN THR 119 12.170 -1.666 -6.128 924 HA THR 119 HA THR 119 11.390 -1.425 -8.963 925 HB THR 119 HB THR 119 14.164 -2.032 -8.031 926 HG1 THR 119 HG1 THR 119 13.815 -0.620 -6.482 927 1HG2 THR 119 HG21 THR 119 14.370 0.142 -9.553 928 2HG2 THR 119 HG22 THR 119 12.782 -0.389 -10.106 929 3HG2 THR 119 HG23 THR 119 14.175 -1.459 -10.267 930 H ALA 120 HN ALA 120 10.608 -3.883 -7.416 931 HA ALA 120 HA ALA 120 12.348 -5.999 -8.537 932 1HB ALA 120 HB1 ALA 120 9.913 -6.916 -7.293 933 2HB ALA 120 HB2 ALA 120 10.621 -5.632 -6.314 934 3HB ALA 120 HB3 ALA 120 11.568 -7.067 -6.705 Start of MODEL 3 1 1H HIS 1 HT1 HIS 1 29.243 8.368 1.875 2 2H HIS 1 HT2 HIS 1 28.373 8.510 3.328 3 3H HIS 1 HT3 HIS 1 29.989 9.027 3.249 4 HA HIS 1 HA HIS 1 29.420 11.040 2.489 5 1HB HIS 1 HB2 HIS 1 27.860 11.130 0.494 6 2HB HIS 1 HB1 HIS 1 29.248 10.064 0.279 7 HD1 HIS 1 HD1 HIS 1 27.711 8.758 -1.492 8 HD2 HIS 1 HD2 HIS 1 26.446 8.547 2.474 9 HE1 HIS 1 HE1 HIS 1 26.043 6.854 -1.372 10 H MET 2 HN MET 2 27.191 12.409 2.108 11 HA MET 2 HA MET 2 25.386 11.614 4.367 12 1HB MET 2 HB2 MET 2 26.455 14.209 3.282 13 2HB MET 2 HB1 MET 2 24.959 14.203 4.217 14 1HG MET 2 HG2 MET 2 26.025 13.402 6.154 15 2HG MET 2 HG1 MET 2 27.415 12.799 5.251 16 1HE MET 2 HE1 MET 2 29.811 14.836 4.878 17 2HE MET 2 HE2 MET 2 28.885 15.767 3.704 18 3HE MET 2 HE3 MET 2 28.659 14.023 3.810 19 H ALA 3 HN ALA 3 25.544 12.581 0.996 20 HA ALA 3 HA ALA 3 22.651 13.015 0.743 21 1HB ALA 3 HB1 ALA 3 23.649 14.239 -0.894 22 2HB ALA 3 HB2 ALA 3 23.735 12.721 -1.787 23 3HB ALA 3 HB3 ALA 3 25.118 13.265 -0.837 24 H SER 4 HN SER 4 21.213 11.356 0.492 25 HA SER 4 HA SER 4 20.339 9.241 -0.113 26 1HB SER 4 HB2 SER 4 22.785 8.742 -1.759 27 2HB SER 4 HB1 SER 4 21.091 8.495 -2.174 28 HG SER 4 HG SER 4 21.842 10.288 -3.279 29 H ARG 5 HN ARG 5 20.516 8.000 1.761 30 HA ARG 5 HA ARG 5 22.887 6.225 1.970 31 1HB ARG 5 HB2 ARG 5 23.155 6.894 4.366 32 2HB ARG 5 HB1 ARG 5 23.450 8.233 3.255 33 1HG ARG 5 HG2 ARG 5 21.650 9.398 3.997 34 2HG ARG 5 HG1 ARG 5 20.634 7.958 4.062 35 1HD ARG 5 HD2 ARG 5 22.258 7.380 6.124 36 2HD ARG 5 HD1 ARG 5 22.354 9.151 6.188 37 HE ARG 5 HE ARG 5 19.649 7.987 5.897 38 1HH1 ARG 5 HH21 ARG 5 20.641 7.293 8.612 39 2HH1 ARG 5 HH22 ARG 5 20.194 8.683 9.544 40 1HH2 ARG 5 HH11 ARG 5 19.684 10.704 6.772 41 2HH2 ARG 5 HH12 ARG 5 19.652 10.615 8.501 42 H ASP 6 HN ASP 6 21.490 6.121 4.928 43 HA ASP 6 HA ASP 6 20.256 3.629 4.724 44 1HB ASP 6 HB2 ASP 6 20.633 5.679 6.610 45 2HB ASP 6 HB1 ASP 6 18.895 5.382 6.598 46 H GLN 7 HN GLN 7 19.043 6.701 3.630 47 HA GLN 7 HA GLN 7 16.324 6.681 3.713 48 1HB GLN 7 HB2 GLN 7 18.159 7.969 2.256 49 2HB GLN 7 HB1 GLN 7 17.551 6.897 0.994 50 1HG GLN 7 HG2 GLN 7 15.243 7.658 1.471 51 2HG GLN 7 HG1 GLN 7 15.868 8.758 2.700 52 1HE2 GLN 7 HE21 GLN 7 14.940 10.545 1.306 53 2HE2 GLN 7 HE22 GLN 7 15.822 11.078 -0.042 54 H VAL 8 HN VAL 8 14.600 5.665 2.520 55 HA VAL 8 HA VAL 8 15.348 3.080 1.195 56 HB VAL 8 HB VAL 8 14.535 2.402 3.281 57 1HG1 VAL 8 HG11 VAL 8 13.950 4.345 4.415 58 2HG1 VAL 8 HG12 VAL 8 12.364 3.610 4.180 59 3HG1 VAL 8 HG13 VAL 8 12.900 4.909 3.115 60 1HG2 VAL 8 HG21 VAL 8 11.771 2.649 2.251 61 2HG2 VAL 8 HG22 VAL 8 12.664 1.210 2.740 62 3HG2 VAL 8 HG23 VAL 8 12.916 1.902 1.138 63 H LYS 9 HN LYS 9 14.894 3.591 -0.955 64 HA LYS 9 HA LYS 9 12.584 5.209 -1.735 65 1HB LYS 9 HB2 LYS 9 14.574 3.453 -3.202 66 2HB LYS 9 HB1 LYS 9 13.312 4.378 -4.011 67 1HG LYS 9 HG2 LYS 9 14.386 6.311 -2.450 68 2HG LYS 9 HG1 LYS 9 15.815 5.326 -2.764 69 1HD LYS 9 HD2 LYS 9 15.413 5.457 -5.176 70 2HD LYS 9 HD1 LYS 9 13.929 6.367 -4.903 71 1HE LYS 9 HE2 LYS 9 15.337 8.161 -5.237 72 2HE LYS 9 HE1 LYS 9 15.684 7.910 -3.515 73 1HZ LYS 9 HZ1 LYS 9 17.334 7.333 -5.810 74 2HZ LYS 9 HZ2 LYS 9 17.230 6.045 -4.706 75 3HZ LYS 9 HZ3 LYS 9 17.780 7.566 -4.190 76 H ALA 10 HN ALA 10 10.786 4.241 -3.102 77 HA ALA 10 HA ALA 10 10.367 1.447 -3.418 78 1HB ALA 10 HB1 ALA 10 10.164 0.784 -1.268 79 2HB ALA 10 HB2 ALA 10 8.656 1.697 -1.209 80 3HB ALA 10 HB3 ALA 10 10.166 2.453 -0.699 81 H SER 11 HN SER 11 8.023 0.851 -3.637 82 HA SER 11 HA SER 11 6.267 3.193 -4.269 83 1HB SER 11 HB2 SER 11 5.682 2.120 -6.348 84 2HB SER 11 HB1 SER 11 7.438 2.060 -6.248 85 HG SER 11 HG SER 11 7.181 -0.070 -5.361 86 H HIS 12 HN HIS 12 3.856 2.113 -4.635 87 HA HIS 12 HA HIS 12 3.331 -0.345 -3.201 88 1HB HIS 12 HB2 HIS 12 2.599 0.553 -1.080 89 2HB HIS 12 HB1 HIS 12 4.220 1.169 -1.393 90 HD1 HIS 12 HD1 HIS 12 1.265 2.394 -0.058 91 HD2 HIS 12 HD2 HIS 12 3.704 3.796 -3.136 92 HE1 HIS 12 HE1 HIS 12 0.739 4.857 -0.326 93 H ILE 13 HN ILE 13 0.967 -0.476 -2.493 94 HA ILE 13 HA ILE 13 -0.839 1.287 -4.103 95 HB ILE 13 HB ILE 13 -0.217 -1.595 -4.385 96 1HG1 ILE 13 HG12 ILE 13 -1.322 0.646 -6.070 97 2HG1 ILE 13 HG11 ILE 13 0.211 -0.206 -6.248 98 1HG2 ILE 13 HG21 ILE 13 -2.468 -2.307 -4.928 99 2HG2 ILE 13 HG22 ILE 13 -3.101 -0.688 -4.637 100 3HG2 ILE 13 HG23 ILE 13 -2.492 -1.652 -3.291 101 1HD1 ILE 13 HD11 ILE 13 -2.558 -1.124 -6.986 102 2HD1 ILE 13 HD12 ILE 13 -1.306 -2.313 -6.627 103 3HD1 ILE 13 HD13 ILE 13 -1.081 -1.167 -7.949 104 H LEU 14 HN LEU 14 -3.209 0.714 -3.419 105 HA LEU 14 HA LEU 14 -3.347 -0.003 -0.513 106 1HB LEU 14 HB2 LEU 14 -3.190 2.422 -0.718 107 2HB LEU 14 HB1 LEU 14 -4.440 2.433 -1.959 108 HG LEU 14 HG LEU 14 -6.080 1.588 -0.316 109 1HD1 LEU 14 HD11 LEU 14 -5.442 0.668 1.623 110 2HD1 LEU 14 HD12 LEU 14 -4.581 2.139 2.079 111 3HD1 LEU 14 HD13 LEU 14 -3.763 0.895 1.133 112 1HD2 LEU 14 HD21 LEU 14 -5.871 4.005 -0.581 113 2HD2 LEU 14 HD22 LEU 14 -4.514 4.040 0.543 114 3HD2 LEU 14 HD23 LEU 14 -6.128 3.640 1.126 115 H ILE 15 HN ILE 15 -5.537 -0.742 0.110 116 HA ILE 15 HA ILE 15 -7.227 -1.478 -2.262 117 HB ILE 15 HB ILE 15 -5.774 -3.179 -0.750 118 1HG1 ILE 15 HG12 ILE 15 -8.503 -4.147 -1.466 119 2HG1 ILE 15 HG11 ILE 15 -7.535 -3.427 -2.753 120 1HG2 ILE 15 HG21 ILE 15 -7.126 -4.233 0.954 121 2HG2 ILE 15 HG22 ILE 15 -8.504 -3.206 0.566 122 3HG2 ILE 15 HG23 ILE 15 -7.069 -2.507 1.311 123 1HD1 ILE 15 HD11 ILE 15 -6.620 -5.677 -0.937 124 2HD1 ILE 15 HD12 ILE 15 -5.696 -4.978 -2.267 125 3HD1 ILE 15 HD13 ILE 15 -7.176 -5.877 -2.599 126 H LYS 16 HN LYS 16 -7.124 0.294 0.606 127 HA LYS 16 HA LYS 16 -8.826 1.507 1.709 128 1HB LYS 16 HB2 LYS 16 -10.335 2.149 0.150 129 2HB LYS 16 HB1 LYS 16 -9.754 0.862 -0.899 130 1HG LYS 16 HG2 LYS 16 -11.410 -0.671 -0.084 131 2HG LYS 16 HG1 LYS 16 -11.845 0.404 1.245 132 1HD LYS 16 HD2 LYS 16 -13.547 0.651 -0.436 133 2HD LYS 16 HD1 LYS 16 -12.550 2.105 -0.501 134 1HE LYS 16 HE2 LYS 16 -11.518 -0.037 -2.224 135 2HE LYS 16 HE1 LYS 16 -13.148 0.497 -2.681 136 1HZ LYS 16 HZ1 LYS 16 -10.889 1.827 -3.303 137 2HZ LYS 16 HZ2 LYS 16 -11.365 2.627 -1.882 138 3HZ LYS 16 HZ3 LYS 16 -12.425 2.538 -3.208 139 H HIS 17 HN HIS 17 -10.226 1.036 3.462 140 HA HIS 17 HA HIS 17 -11.613 -1.486 3.761 141 1HB HIS 17 HB2 HIS 17 -10.118 -2.487 5.425 142 2HB HIS 17 HB1 HIS 17 -9.225 -2.190 3.937 143 HD1 HIS 17 HD1 HIS 17 -9.531 1.062 5.177 144 HD2 HIS 17 HD2 HIS 17 -7.261 -2.206 6.413 145 HE1 HIS 17 HE1 HIS 17 -7.641 1.994 6.576 146 H GLN 18 HN GLN 18 -11.296 -1.583 6.664 147 HA GLN 18 HA GLN 18 -13.220 0.440 7.420 148 1HB GLN 18 HB2 GLN 18 -11.716 -1.818 8.629 149 2HB GLN 18 HB1 GLN 18 -12.286 -0.587 9.756 150 1HG GLN 18 HG2 GLN 18 -14.495 -0.918 8.176 151 2HG GLN 18 HG1 GLN 18 -13.825 -2.549 8.179 152 1HE2 GLN 18 HE21 GLN 18 -16.200 -2.366 9.490 153 2HE2 GLN 18 HE22 GLN 18 -15.985 -2.373 11.174 154 H GLY 19 HN GLY 19 -9.726 0.051 7.916 155 1HA GLY 19 HA2 GLY 19 -8.141 1.531 8.840 156 2HA GLY 19 HA1 GLY 19 -9.056 2.757 7.960 157 H SER 20 HN SER 20 -9.317 4.409 9.410 158 HA SER 20 HA SER 20 -10.571 3.716 12.046 159 1HB SER 20 HB2 SER 20 -9.164 5.636 12.925 160 2HB SER 20 HB1 SER 20 -8.237 4.233 12.404 161 HG SER 20 HG SER 20 -7.812 6.607 11.623 162 H ARG 21 HN ARG 21 -11.580 4.764 9.333 163 HA ARG 21 HA ARG 21 -12.770 7.336 10.325 164 1HB ARG 21 HB2 ARG 21 -12.041 6.307 7.570 165 2HB ARG 21 HB1 ARG 21 -13.004 7.763 7.823 166 1HG ARG 21 HG2 ARG 21 -11.230 8.915 8.843 167 2HG ARG 21 HG1 ARG 21 -10.357 7.429 9.220 168 1HD ARG 21 HD2 ARG 21 -10.113 7.079 6.697 169 2HD ARG 21 HD1 ARG 21 -10.676 8.752 6.513 170 HE ARG 21 HE ARG 21 -8.338 8.098 8.263 171 1HH1 ARG 21 HH21 ARG 21 -10.016 10.691 7.150 172 2HH1 ARG 21 HH22 ARG 21 -8.693 11.474 6.352 173 1HH2 ARG 21 HH11 ARG 21 -6.564 8.751 6.637 174 2HH2 ARG 21 HH12 ARG 21 -6.738 10.376 6.062 175 H ARG 22 HN ARG 22 -14.911 7.672 8.799 176 HA ARG 22 HA ARG 22 -16.631 5.318 9.412 177 1HB ARG 22 HB2 ARG 22 -18.430 6.970 9.259 178 2HB ARG 22 HB1 ARG 22 -17.140 7.611 10.276 179 1HG ARG 22 HG2 ARG 22 -16.494 9.181 8.710 180 2HG ARG 22 HG1 ARG 22 -17.013 8.189 7.347 181 1HD ARG 22 HD2 ARG 22 -18.559 10.059 7.531 182 2HD ARG 22 HD1 ARG 22 -19.413 8.608 8.093 183 HE ARG 22 HE ARG 22 -18.316 9.473 10.414 184 1HH1 ARG 22 HH11 ARG 22 -18.794 11.834 8.115 185 2HH1 ARG 22 HH12 ARG 22 -19.935 12.761 9.030 186 1HH2 ARG 22 HH21 ARG 22 -20.292 10.367 11.513 187 2HH2 ARG 22 HH22 ARG 22 -20.782 11.933 10.955 188 H LYS 23 HN LYS 23 -14.887 6.382 6.808 189 HA LYS 23 HA LYS 23 -16.280 4.730 4.911 190 1HB LYS 23 HB2 LYS 23 -17.247 7.424 5.366 191 2HB LYS 23 HB1 LYS 23 -16.707 7.240 3.697 192 1HG LYS 23 HG2 LYS 23 -18.075 4.875 4.189 193 2HG LYS 23 HG1 LYS 23 -19.043 6.087 5.028 194 1HD LYS 23 HD2 LYS 23 -19.469 7.295 3.070 195 2HD LYS 23 HD1 LYS 23 -18.067 6.623 2.235 196 1HE LYS 23 HE2 LYS 23 -19.656 5.290 1.235 197 2HE LYS 23 HE1 LYS 23 -19.503 4.346 2.730 198 1HZ LYS 23 HZ1 LYS 23 -21.322 5.396 3.683 199 2HZ LYS 23 HZ2 LYS 23 -21.823 5.190 2.072 200 3HZ LYS 23 HZ3 LYS 23 -21.271 6.706 2.606 201 H ALA 24 HN ALA 24 -15.570 5.806 2.514 202 HA ALA 24 HA ALA 24 -12.599 5.995 2.739 203 1HB ALA 24 HB1 ALA 24 -14.069 4.288 1.349 204 2HB ALA 24 HB2 ALA 24 -12.580 4.936 0.659 205 3HB ALA 24 HB3 ALA 24 -14.139 5.615 0.190 206 H SER 25 HN SER 25 -14.326 8.348 3.227 207 HA SER 25 HA SER 25 -14.582 10.588 2.482 208 1HB SER 25 HB2 SER 25 -11.872 9.590 2.254 209 2HB SER 25 HB1 SER 25 -12.161 10.839 1.046 210 HG SER 25 HG SER 25 -12.137 12.244 2.596 211 H TRP 26 HN TRP 26 -15.516 8.402 0.600 212 HA TRP 26 HA TRP 26 -15.222 9.911 -1.977 213 1HB TRP 26 HB2 TRP 26 -14.885 7.130 -1.202 214 2HB TRP 26 HB1 TRP 26 -16.082 7.284 -2.490 215 HD1 TRP 26 HD1 TRP 26 -12.660 6.563 -2.315 216 HE1 TRP 26 HE1 TRP 26 -11.307 7.494 -4.306 217 HE3 TRP 26 HE3 TRP 26 -15.992 9.985 -4.115 218 HZ2 TRP 26 HZ2 TRP 26 -11.605 9.440 -6.385 219 HZ3 TRP 26 HZ3 TRP 26 -15.436 11.363 -6.097 220 HH2 TRP 26 HH2 TRP 26 -13.248 11.097 -7.233 221 H LYS 27 HN LYS 27 -17.094 11.080 -2.221 222 HA LYS 27 HA LYS 27 -19.655 10.134 -1.132 223 1HB LYS 27 HB2 LYS 27 -20.418 12.320 -1.984 224 2HB LYS 27 HB1 LYS 27 -18.908 12.499 -1.089 225 1HG LYS 27 HG2 LYS 27 -18.357 11.903 -3.866 226 2HG LYS 27 HG1 LYS 27 -19.411 13.312 -3.742 227 1HD LYS 27 HD2 LYS 27 -17.042 13.115 -1.915 228 2HD LYS 27 HD1 LYS 27 -16.786 13.597 -3.592 229 1HE LYS 27 HE2 LYS 27 -17.796 15.631 -3.290 230 2HE LYS 27 HE1 LYS 27 -19.031 14.963 -2.205 231 1HZ LYS 27 HZ1 LYS 27 -17.652 15.062 -0.403 232 2HZ LYS 27 HZ2 LYS 27 -17.079 16.413 -1.261 233 3HZ LYS 27 HZ3 LYS 27 -16.234 14.941 -1.326 234 H ASP 28 HN ASP 28 -17.941 9.729 -4.072 235 HA ASP 28 HA ASP 28 -19.844 9.805 -6.106 236 1HB ASP 28 HB2 ASP 28 -17.380 8.334 -5.452 237 2HB ASP 28 HB1 ASP 28 -18.417 7.493 -6.605 238 HA PRO 29 HA PRO 29 -21.384 5.413 -5.039 239 1HB PRO 29 HB2 PRO 29 -20.374 4.180 -2.817 240 2HB PRO 29 HB1 PRO 29 -19.615 4.058 -4.417 241 1HG PRO 29 HG2 PRO 29 -18.879 5.774 -2.099 242 2HG PRO 29 HG1 PRO 29 -17.835 4.913 -3.241 243 1HD PRO 29 HD2 PRO 29 -18.336 7.590 -3.384 244 2HD PRO 29 HD1 PRO 29 -17.937 6.588 -4.797 245 H GLU 30 HN GLU 30 -22.960 7.255 -4.372 246 HA GLU 30 HA GLU 30 -23.413 7.807 -1.565 247 1HB GLU 30 HB2 GLU 30 -25.193 8.014 -4.019 248 2HB GLU 30 HB1 GLU 30 -25.512 8.791 -2.469 249 1HG GLU 30 HG2 GLU 30 -23.315 9.983 -2.679 250 2HG GLU 30 HG1 GLU 30 -23.154 9.306 -4.301 251 H GLY 31 HN GLY 31 -24.612 6.606 -0.101 252 1HA GLY 31 HA2 GLY 31 -26.865 5.037 -0.589 253 2HA GLY 31 HA1 GLY 31 -25.500 3.947 -0.830 254 H LYS 32 HN LYS 32 -23.754 4.348 1.066 255 HA LYS 32 HA LYS 32 -23.326 3.955 3.357 256 1HB LYS 32 HB2 LYS 32 -23.995 6.304 3.435 257 2HB LYS 32 HB1 LYS 32 -25.698 5.846 3.459 258 1HG LYS 32 HG2 LYS 32 -24.319 4.441 5.555 259 2HG LYS 32 HG1 LYS 32 -23.964 6.164 5.684 260 1HD LYS 32 HD2 LYS 32 -26.645 6.219 5.150 261 2HD LYS 32 HD1 LYS 32 -26.515 4.732 6.090 262 1HE LYS 32 HE2 LYS 32 -25.433 5.917 7.923 263 2HE LYS 32 HE1 LYS 32 -25.383 7.413 6.968 264 1HZ LYS 32 HZ1 LYS 32 -27.900 5.940 7.490 265 2HZ LYS 32 HZ2 LYS 32 -27.718 7.524 6.903 266 3HZ LYS 32 HZ3 LYS 32 -27.344 7.166 8.522 267 H ILE 33 HN ILE 33 -24.094 1.676 2.991 268 HA ILE 33 HA ILE 33 -26.258 1.008 4.860 269 HB ILE 33 HB ILE 33 -27.573 1.544 2.936 270 1HG1 ILE 33 HG12 ILE 33 -27.962 -0.728 4.083 271 2HG1 ILE 33 HG11 ILE 33 -28.683 -0.504 2.493 272 1HG2 ILE 33 HG21 ILE 33 -25.752 -0.218 1.280 273 2HG2 ILE 33 HG22 ILE 33 -25.612 1.538 1.366 274 3HG2 ILE 33 HG23 ILE 33 -27.068 0.801 0.697 275 1HD1 ILE 33 HD11 ILE 33 -26.617 -2.396 3.353 276 2HD1 ILE 33 HD12 ILE 33 -26.167 -1.519 1.894 277 3HD1 ILE 33 HD13 ILE 33 -27.663 -2.447 1.936 278 H ILE 34 HN ILE 34 -24.129 -0.188 2.248 279 HA ILE 34 HA ILE 34 -23.926 -2.825 3.603 280 HB ILE 34 HB ILE 34 -24.333 -2.661 1.172 281 1HG1 ILE 34 HG12 ILE 34 -22.016 -3.845 0.518 282 2HG1 ILE 34 HG11 ILE 34 -21.831 -3.865 2.272 283 1HG2 ILE 34 HG21 ILE 34 -21.701 -1.813 0.354 284 2HG2 ILE 34 HG22 ILE 34 -22.431 -0.570 1.370 285 3HG2 ILE 34 HG23 ILE 34 -23.265 -1.126 -0.081 286 1HD1 ILE 34 HD11 ILE 34 -23.739 -5.348 0.557 287 2HD1 ILE 34 HD12 ILE 34 -24.408 -4.695 2.052 288 3HD1 ILE 34 HD13 ILE 34 -23.035 -5.800 2.109 289 H LEU 35 HN LEU 35 -22.061 -3.479 4.665 290 HA LEU 35 HA LEU 35 -20.075 -1.500 5.407 291 1HB LEU 35 HB2 LEU 35 -20.671 -4.392 5.872 292 2HB LEU 35 HB1 LEU 35 -19.036 -3.835 6.231 293 HG LEU 35 HG LEU 35 -20.767 -1.869 7.282 294 1HD1 LEU 35 HD11 LEU 35 -21.716 -3.977 8.899 295 2HD1 LEU 35 HD12 LEU 35 -22.027 -4.475 7.236 296 3HD1 LEU 35 HD13 LEU 35 -22.669 -2.944 7.832 297 1HD2 LEU 35 HD21 LEU 35 -19.713 -2.446 9.347 298 2HD2 LEU 35 HD22 LEU 35 -18.521 -2.801 8.096 299 3HD2 LEU 35 HD23 LEU 35 -19.447 -4.111 8.828 300 H THR 36 HN THR 36 -18.138 -1.072 4.390 301 HA THR 36 HA THR 36 -17.535 -2.340 1.834 302 HB THR 36 HB THR 36 -17.201 0.075 2.440 303 HG1 THR 36 HG1 THR 36 -14.949 0.066 1.616 304 1HG2 THR 36 HG21 THR 36 -14.645 -0.179 3.694 305 2HG2 THR 36 HG22 THR 36 -15.813 -1.113 4.630 306 3HG2 THR 36 HG23 THR 36 -16.096 0.601 4.322 307 H THR 37 HN THR 37 -14.657 -2.289 2.080 308 HA THR 37 HA THR 37 -14.162 -4.987 2.971 309 HB THR 37 HB THR 37 -12.596 -2.630 1.962 310 HG1 THR 37 HG1 THR 37 -13.807 -4.406 0.773 311 1HG2 THR 37 HG21 THR 37 -10.542 -4.112 2.031 312 2HG2 THR 37 HG22 THR 37 -11.424 -5.160 3.141 313 3HG2 THR 37 HG23 THR 37 -11.063 -3.496 3.599 314 H THR 38 HN THR 38 -13.281 -5.713 4.910 315 HA THR 38 HA THR 38 -12.893 -3.663 7.054 316 HB THR 38 HB THR 38 -13.685 -5.326 8.561 317 HG1 THR 38 HG1 THR 38 -13.800 -7.354 6.680 318 1HG2 THR 38 HG21 THR 38 -15.290 -4.451 6.633 319 2HG2 THR 38 HG22 THR 38 -15.834 -5.669 7.785 320 3HG2 THR 38 HG23 THR 38 -15.290 -6.156 6.180 321 H ARG 39 HN ARG 39 -11.330 -4.576 8.835 322 HA ARG 39 HA ARG 39 -8.701 -4.627 7.975 323 1HB ARG 39 HB2 ARG 39 -10.227 -5.552 10.335 324 2HB ARG 39 HB1 ARG 39 -8.610 -6.238 10.176 325 1HG ARG 39 HG2 ARG 39 -7.836 -3.806 9.746 326 2HG ARG 39 HG1 ARG 39 -9.398 -3.339 10.420 327 1HD ARG 39 HD2 ARG 39 -8.098 -3.377 12.361 328 2HD ARG 39 HD1 ARG 39 -8.675 -5.056 12.340 329 HE ARG 39 HE ARG 39 -6.532 -5.608 11.096 330 1HH1 ARG 39 HH21 ARG 39 -6.511 -2.343 11.830 331 2HH1 ARG 39 HH22 ARG 39 -4.961 -2.342 12.604 332 1HH2 ARG 39 HH11 ARG 39 -4.657 -5.796 12.594 333 2HH2 ARG 39 HH12 ARG 39 -3.912 -4.296 13.037 334 H GLU 40 HN GLU 40 -9.920 -7.672 9.306 335 HA GLU 40 HA GLU 40 -8.194 -9.451 8.085 336 1HB GLU 40 HB2 GLU 40 -9.916 -10.058 9.716 337 2HB GLU 40 HB1 GLU 40 -11.185 -9.698 8.549 338 1HG GLU 40 HG2 GLU 40 -11.008 -12.005 8.305 339 2HG GLU 40 HG1 GLU 40 -9.895 -11.446 7.056 340 H ALA 41 HN ALA 41 -11.445 -8.796 6.766 341 HA ALA 41 HA ALA 41 -11.289 -9.981 4.285 342 1HB ALA 41 HB1 ALA 41 -13.261 -8.832 5.059 343 2HB ALA 41 HB2 ALA 41 -12.763 -8.025 3.570 344 3HB ALA 41 HB3 ALA 41 -12.398 -7.297 5.134 345 H ALA 42 HN ALA 42 -9.915 -6.818 5.180 346 HA ALA 42 HA ALA 42 -8.951 -6.064 2.604 347 1HB ALA 42 HB1 ALA 42 -8.521 -4.276 3.919 348 2HB ALA 42 HB2 ALA 42 -7.149 -5.155 4.590 349 3HB ALA 42 HB3 ALA 42 -8.725 -5.255 5.368 350 H VAL 43 HN VAL 43 -7.170 -7.611 5.299 351 HA VAL 43 HA VAL 43 -4.787 -8.125 3.836 352 HB VAL 43 HB VAL 43 -5.344 -8.285 6.367 353 1HG1 VAL 43 HG11 VAL 43 -5.590 -10.912 6.835 354 2HG1 VAL 43 HG12 VAL 43 -6.505 -10.834 5.335 355 3HG1 VAL 43 HG13 VAL 43 -6.987 -9.850 6.713 356 1HG2 VAL 43 HG21 VAL 43 -3.623 -10.294 4.900 357 2HG2 VAL 43 HG22 VAL 43 -3.578 -10.094 6.652 358 3HG2 VAL 43 HG23 VAL 43 -3.126 -8.753 5.599 359 H GLU 44 HN GLU 44 -7.880 -9.759 3.910 360 HA GLU 44 HA GLU 44 -6.967 -12.176 2.549 361 1HB GLU 44 HB2 GLU 44 -9.210 -11.292 3.962 362 2HB GLU 44 HB1 GLU 44 -9.792 -11.462 2.306 363 1HG GLU 44 HG2 GLU 44 -8.065 -13.668 3.227 364 2HG GLU 44 HG1 GLU 44 -9.600 -13.534 4.085 365 H GLN 45 HN GLN 45 -8.726 -9.221 1.628 366 HA GLN 45 HA GLN 45 -8.988 -9.826 -1.164 367 1HB GLN 45 HB2 GLN 45 -9.729 -7.828 0.640 368 2HB GLN 45 HB1 GLN 45 -8.636 -7.001 -0.470 369 1HG GLN 45 HG2 GLN 45 -10.820 -8.790 -1.520 370 2HG GLN 45 HG1 GLN 45 -11.158 -7.113 -1.092 371 1HE2 GLN 45 HE21 GLN 45 -10.856 -5.661 -2.782 372 2HE2 GLN 45 HE22 GLN 45 -9.821 -5.903 -4.105 373 H LEU 46 HN LEU 46 -6.498 -8.194 0.752 374 HA LEU 46 HA LEU 46 -4.841 -7.467 -1.521 375 1HB LEU 46 HB2 LEU 46 -5.055 -6.729 1.085 376 2HB LEU 46 HB1 LEU 46 -3.681 -7.829 1.191 377 HG LEU 46 HG LEU 46 -3.160 -6.320 -1.094 378 1HD1 LEU 46 HD11 LEU 46 -4.277 -4.374 -0.891 379 2HD1 LEU 46 HD12 LEU 46 -3.344 -4.057 0.573 380 3HD1 LEU 46 HD13 LEU 46 -4.915 -4.851 0.683 381 1HD2 LEU 46 HD21 LEU 46 -1.406 -6.937 0.384 382 2HD2 LEU 46 HD22 LEU 46 -2.200 -6.189 1.770 383 3HD2 LEU 46 HD23 LEU 46 -1.490 -5.181 0.510 384 H LYS 47 HN LYS 47 -5.022 -10.190 0.729 385 HA LYS 47 HA LYS 47 -2.610 -11.532 0.229 386 1HB LYS 47 HB2 LYS 47 -5.185 -12.045 1.332 387 2HB LYS 47 HB1 LYS 47 -4.825 -13.375 0.229 388 1HG LYS 47 HG2 LYS 47 -2.521 -13.475 1.359 389 2HG LYS 47 HG1 LYS 47 -3.215 -12.439 2.607 390 1HD LYS 47 HD2 LYS 47 -4.901 -14.743 1.887 391 2HD LYS 47 HD1 LYS 47 -3.353 -15.182 2.611 392 1HE LYS 47 HE2 LYS 47 -3.948 -13.309 4.363 393 2HE LYS 47 HE1 LYS 47 -5.609 -13.590 3.804 394 1HZ LYS 47 HZ1 LYS 47 -5.314 -15.185 5.457 395 2HZ LYS 47 HZ2 LYS 47 -3.714 -15.522 4.992 396 3HZ LYS 47 HZ3 LYS 47 -5.010 -16.048 4.029 397 H SER 48 HN SER 48 -5.596 -11.490 -1.681 398 HA SER 48 HA SER 48 -4.674 -13.323 -3.726 399 1HB SER 48 HB2 SER 48 -6.636 -11.716 -4.838 400 2HB SER 48 HB1 SER 48 -6.943 -13.164 -3.885 401 HG SER 48 HG SER 48 -8.014 -11.206 -3.145 402 H ILE 49 HN ILE 49 -4.663 -9.796 -3.323 403 HA ILE 49 HA ILE 49 -3.704 -9.139 -5.943 404 HB ILE 49 HB ILE 49 -4.444 -7.859 -3.534 405 1HG1 ILE 49 HG12 ILE 49 -5.159 -7.138 -5.722 406 2HG1 ILE 49 HG11 ILE 49 -4.280 -5.802 -4.979 407 1HG2 ILE 49 HG21 ILE 49 -2.209 -7.643 -2.721 408 2HG2 ILE 49 HG22 ILE 49 -2.603 -6.084 -3.445 409 3HG2 ILE 49 HG23 ILE 49 -1.591 -7.232 -4.322 410 1HD1 ILE 49 HD11 ILE 49 -2.202 -6.665 -6.176 411 2HD1 ILE 49 HD12 ILE 49 -3.449 -5.979 -7.218 412 3HD1 ILE 49 HD13 ILE 49 -3.275 -7.729 -7.085 413 H ARG 50 HN ARG 50 -1.939 -9.476 -2.852 414 HA ARG 50 HA ARG 50 0.701 -9.271 -3.896 415 1HB ARG 50 HB2 ARG 50 0.007 -9.231 -1.497 416 2HB ARG 50 HB1 ARG 50 -0.383 -10.947 -1.601 417 1HG ARG 50 HG2 ARG 50 2.158 -10.961 -2.576 418 2HG ARG 50 HG1 ARG 50 2.259 -9.622 -1.433 419 1HD ARG 50 HD2 ARG 50 1.598 -11.002 0.404 420 2HD ARG 50 HD1 ARG 50 1.065 -12.305 -0.678 421 HE ARG 50 HE ARG 50 3.926 -11.455 -0.703 422 1HH1 ARG 50 HH11 ARG 50 2.264 -13.846 -2.018 423 2HH1 ARG 50 HH12 ARG 50 2.978 -15.163 -1.149 424 1HH2 ARG 50 HH21 ARG 50 4.500 -13.128 1.210 425 2HH2 ARG 50 HH22 ARG 50 4.246 -14.757 0.677 426 H GLU 51 HN GLU 51 -1.571 -11.947 -3.661 427 HA GLU 51 HA GLU 51 0.209 -14.060 -4.513 428 1HB GLU 51 HB2 GLU 51 -1.758 -14.699 -3.392 429 2HB GLU 51 HB1 GLU 51 -2.745 -13.536 -4.256 430 1HG GLU 51 HG2 GLU 51 -3.115 -15.951 -4.921 431 2HG GLU 51 HG1 GLU 51 -2.718 -14.865 -6.250 432 H ASP 52 HN ASP 52 -2.459 -12.417 -6.190 433 HA ASP 52 HA ASP 52 -1.923 -13.352 -8.807 434 1HB ASP 52 HB2 ASP 52 -3.457 -11.281 -7.467 435 2HB ASP 52 HB1 ASP 52 -2.799 -10.660 -8.980 436 H ILE 53 HN ILE 53 -0.683 -10.444 -7.128 437 HA ILE 53 HA ILE 53 1.039 -9.581 -9.273 438 HB ILE 53 HB ILE 53 0.973 -9.191 -6.266 439 1HG1 ILE 53 HG12 ILE 53 0.384 -7.332 -8.593 440 2HG1 ILE 53 HG11 ILE 53 -0.838 -8.176 -7.641 441 1HG2 ILE 53 HG21 ILE 53 2.973 -8.145 -6.293 442 2HG2 ILE 53 HG22 ILE 53 2.534 -7.222 -7.730 443 3HG2 ILE 53 HG23 ILE 53 3.228 -8.834 -7.896 444 1HD1 ILE 53 HD11 ILE 53 -0.569 -5.887 -6.807 445 2HD1 ILE 53 HD12 ILE 53 1.160 -6.152 -6.586 446 3HD1 ILE 53 HD13 ILE 53 -0.002 -7.037 -5.596 447 H VAL 54 HN VAL 54 1.235 -11.989 -6.754 448 HA VAL 54 HA VAL 54 4.074 -12.447 -6.802 449 HB VAL 54 HB VAL 54 1.633 -13.536 -5.644 450 1HG1 VAL 54 HG11 VAL 54 2.770 -15.846 -5.261 451 2HG1 VAL 54 HG12 VAL 54 3.661 -15.475 -6.737 452 3HG1 VAL 54 HG13 VAL 54 1.902 -15.580 -6.772 453 1HG2 VAL 54 HG21 VAL 54 3.230 -14.143 -3.830 454 2HG2 VAL 54 HG22 VAL 54 3.352 -12.457 -4.331 455 3HG2 VAL 54 HG23 VAL 54 4.554 -13.627 -4.875 456 H SER 55 HN SER 55 1.428 -14.396 -8.241 457 HA SER 55 HA SER 55 3.384 -15.460 -10.224 458 1HB SER 55 HB2 SER 55 0.697 -16.474 -10.464 459 2HB SER 55 HB1 SER 55 2.161 -17.331 -9.997 460 HG SER 55 HG SER 55 1.335 -17.349 -8.071 461 H GLY 56 HN GLY 56 3.247 -14.909 -12.380 462 1HA GLY 56 HA2 GLY 56 2.262 -14.093 -14.374 463 2HA GLY 56 HA1 GLY 56 0.819 -13.667 -13.452 464 H LYS 57 HN LYS 57 3.541 -12.429 -14.948 465 HA LYS 57 HA LYS 57 4.177 -10.169 -13.288 466 1HB LYS 57 HB2 LYS 57 5.567 -11.115 -15.127 467 2HB LYS 57 HB1 LYS 57 4.368 -10.559 -16.295 468 1HG LYS 57 HG2 LYS 57 4.760 -8.251 -15.706 469 2HG LYS 57 HG1 LYS 57 5.792 -8.720 -14.355 470 1HD LYS 57 HD2 LYS 57 7.430 -9.683 -15.891 471 2HD LYS 57 HD1 LYS 57 6.382 -9.329 -17.266 472 1HE LYS 57 HE2 LYS 57 7.253 -7.247 -17.401 473 2HE LYS 57 HE1 LYS 57 6.745 -6.918 -15.733 474 1HZ LYS 57 HZ1 LYS 57 9.187 -6.837 -16.033 475 2HZ LYS 57 HZ2 LYS 57 9.164 -8.479 -16.472 476 3HZ LYS 57 HZ3 LYS 57 8.697 -8.007 -14.908 477 H ALA 58 HN ALA 58 1.472 -10.145 -13.118 478 HA ALA 58 HA ALA 58 -0.079 -8.821 -15.055 479 1HB ALA 58 HB1 ALA 58 -0.873 -7.944 -12.497 480 2HB ALA 58 HB2 ALA 58 -0.105 -9.512 -12.248 481 3HB ALA 58 HB3 ALA 58 -1.464 -9.363 -13.362 482 H ASN 59 HN ASN 59 -1.052 -6.467 -14.031 483 HA ASN 59 HA ASN 59 1.172 -4.582 -14.567 484 1HB ASN 59 HB2 ASN 59 -1.745 -4.723 -14.824 485 2HB ASN 59 HB1 ASN 59 -1.198 -3.168 -14.197 486 1HD2 ASN 59 HD21 ASN 59 0.417 -1.959 -15.546 487 2HD2 ASN 59 HD22 ASN 59 0.499 -2.254 -17.216 488 H PHE 60 HN PHE 60 0.091 -2.352 -13.136 489 HA PHE 60 HA PHE 60 -0.343 -2.898 -10.346 490 1HB PHE 60 HB2 PHE 60 1.950 -3.816 -10.649 491 2HB PHE 60 HB1 PHE 60 2.495 -2.228 -11.186 492 HD1 PHE 60 HD1 PHE 60 2.160 -0.238 -9.577 493 HD2 PHE 60 HD2 PHE 60 1.877 -4.348 -8.357 494 HE1 PHE 60 HE1 PHE 60 2.506 0.439 -7.215 495 HE2 PHE 60 HE2 PHE 60 2.222 -3.671 -5.997 496 HZ PHE 60 HZ PHE 60 2.536 -1.278 -5.426 497 H GLU 61 HN GLU 61 0.740 -0.676 -12.858 498 HA GLU 61 HA GLU 61 0.694 1.714 -11.223 499 1HB GLU 61 HB2 GLU 61 0.530 1.160 -14.200 500 2HB GLU 61 HB1 GLU 61 0.687 2.779 -13.521 501 1HG GLU 61 HG2 GLU 61 2.613 0.643 -12.669 502 2HG GLU 61 HG1 GLU 61 2.847 1.445 -14.222 503 H GLU 62 HN GLU 62 -1.388 1.375 -14.070 504 HA GLU 62 HA GLU 62 -3.486 3.000 -13.332 505 1HB GLU 62 HB2 GLU 62 -3.362 0.367 -14.806 506 2HB GLU 62 HB1 GLU 62 -4.884 1.247 -14.660 507 1HG GLU 62 HG2 GLU 62 -4.163 2.994 -15.990 508 2HG GLU 62 HG1 GLU 62 -2.468 2.764 -15.555 509 H VAL 63 HN VAL 63 -3.134 -0.441 -12.404 510 HA VAL 63 HA VAL 63 -5.561 -0.666 -10.938 511 HB VAL 63 HB VAL 63 -3.555 -2.316 -11.689 512 1HG1 VAL 63 HG11 VAL 63 -1.935 -1.552 -10.057 513 2HG1 VAL 63 HG12 VAL 63 -2.456 -3.174 -9.605 514 3HG1 VAL 63 HG13 VAL 63 -3.090 -1.771 -8.744 515 1HG2 VAL 63 HG21 VAL 63 -5.859 -2.484 -9.895 516 2HG2 VAL 63 HG22 VAL 63 -4.638 -3.708 -9.545 517 3HG2 VAL 63 HG23 VAL 63 -5.339 -3.597 -11.160 518 H ALA 64 HN ALA 64 -2.325 0.398 -9.946 519 HA ALA 64 HA ALA 64 -2.835 0.747 -7.154 520 1HB ALA 64 HB1 ALA 64 -0.982 2.114 -9.128 521 2HB ALA 64 HB2 ALA 64 -0.613 0.700 -8.141 522 3HB ALA 64 HB3 ALA 64 -0.842 2.273 -7.377 523 H THR 65 HN THR 65 -3.787 2.619 -9.922 524 HA THR 65 HA THR 65 -4.301 5.065 -8.348 525 HB THR 65 HB THR 65 -5.399 4.929 -11.047 526 HG1 THR 65 HG1 THR 65 -2.655 4.326 -10.672 527 1HG2 THR 65 HG21 THR 65 -3.033 6.489 -9.991 528 2HG2 THR 65 HG22 THR 65 -4.706 6.960 -9.691 529 3HG2 THR 65 HG23 THR 65 -4.085 6.912 -11.341 530 H ARG 66 HN ARG 66 -6.185 2.516 -9.994 531 HA ARG 66 HA ARG 66 -8.711 3.736 -9.023 532 1HB ARG 66 HB2 ARG 66 -8.214 2.820 -11.376 533 2HB ARG 66 HB1 ARG 66 -8.336 1.218 -10.647 534 1HG ARG 66 HG2 ARG 66 -10.604 1.861 -9.772 535 2HG ARG 66 HG1 ARG 66 -10.480 3.359 -10.697 536 1HD ARG 66 HD2 ARG 66 -9.972 1.769 -12.724 537 2HD ARG 66 HD1 ARG 66 -10.748 0.535 -11.711 538 HE ARG 66 HE ARG 66 -12.800 1.637 -12.086 539 1HH1 ARG 66 HH11 ARG 66 -10.825 3.141 -14.155 540 2HH1 ARG 66 HH12 ARG 66 -11.482 4.735 -13.996 541 1HH2 ARG 66 HH21 ARG 66 -13.367 3.962 -11.188 542 2HH2 ARG 66 HH22 ARG 66 -12.925 5.200 -12.315 543 H VAL 67 HN VAL 67 -6.547 1.114 -8.220 544 HA VAL 67 HA VAL 67 -8.629 -0.276 -6.631 545 HB VAL 67 HB VAL 67 -6.662 -1.212 -8.166 546 1HG1 VAL 67 HG11 VAL 67 -5.022 0.008 -6.495 547 2HG1 VAL 67 HG12 VAL 67 -4.613 -1.589 -7.122 548 3HG1 VAL 67 HG13 VAL 67 -5.292 -1.425 -5.502 549 1HG2 VAL 67 HG21 VAL 67 -7.832 -2.982 -7.380 550 2HG2 VAL 67 HG22 VAL 67 -8.091 -2.219 -5.812 551 3HG2 VAL 67 HG23 VAL 67 -6.589 -3.086 -6.133 552 H SER 68 HN SER 68 -6.632 2.350 -6.119 553 HA SER 68 HA SER 68 -5.858 1.662 -3.346 554 1HB SER 68 HB2 SER 68 -4.629 3.719 -3.498 555 2HB SER 68 HB1 SER 68 -4.470 2.931 -5.063 556 HG SER 68 HG SER 68 -6.207 5.046 -4.323 557 H ASP 69 HN ASP 69 -6.811 2.704 -1.515 558 HA ASP 69 HA ASP 69 -9.517 3.224 -1.388 559 1HB ASP 69 HB2 ASP 69 -7.797 3.112 0.476 560 2HB ASP 69 HB1 ASP 69 -7.415 4.797 0.120 561 H CYS 70 HN CYS 70 -6.998 5.707 -1.787 562 HA CYS 70 HA CYS 70 -8.376 7.178 -3.805 563 1HB CYS 70 HB2 CYS 70 -9.866 7.423 -1.716 564 2HB CYS 70 HB1 CYS 70 -8.573 8.421 -1.052 565 HG CYS 70 HG CYS 70 -10.469 9.234 -3.335 566 H SER 71 HN SER 71 -6.717 8.311 -0.845 567 HA SER 71 HA SER 71 -4.984 10.177 -1.977 568 1HB SER 71 HB2 SER 71 -5.244 9.651 0.436 569 2HB SER 71 HB1 SER 71 -4.413 8.122 0.190 570 HG SER 71 HG SER 71 -3.422 10.758 0.062 571 H SER 72 HN SER 72 -4.163 6.763 -1.360 572 HA SER 72 HA SER 72 -1.726 6.648 -2.773 573 1HB SER 72 HB2 SER 72 -3.916 4.782 -1.989 574 2HB SER 72 HB1 SER 72 -2.805 4.195 -3.223 575 HG SER 72 HG SER 72 -1.540 3.796 -1.597 576 H ALA 73 HN ALA 73 -5.070 6.543 -3.981 577 HA ALA 73 HA ALA 73 -4.647 5.737 -6.648 578 1HB ALA 73 HB1 ALA 73 -6.381 8.116 -6.141 579 2HB ALA 73 HB2 ALA 73 -6.740 6.666 -5.204 580 3HB ALA 73 HB3 ALA 73 -6.769 6.607 -6.966 581 H LYS 74 HN LYS 74 -4.117 8.864 -5.072 582 HA LYS 74 HA LYS 74 -3.204 10.271 -7.446 583 1HB LYS 74 HB2 LYS 74 -4.127 11.214 -5.252 584 2HB LYS 74 HB1 LYS 74 -2.585 10.786 -4.513 585 1HG LYS 74 HG2 LYS 74 -1.722 12.123 -6.726 586 2HG LYS 74 HG1 LYS 74 -3.229 12.979 -6.395 587 1HD LYS 74 HD2 LYS 74 -1.395 12.402 -4.100 588 2HD LYS 74 HD1 LYS 74 -0.961 13.703 -5.210 589 1HE LYS 74 HE2 LYS 74 -3.775 13.885 -4.566 590 2HE LYS 74 HE1 LYS 74 -2.809 13.856 -3.077 591 1HZ LYS 74 HZ1 LYS 74 -2.825 16.091 -3.826 592 2HZ LYS 74 HZ2 LYS 74 -2.464 15.640 -5.424 593 3HZ LYS 74 HZ3 LYS 74 -1.291 15.476 -4.205 594 H ARG 75 HN ARG 75 -1.815 8.221 -4.993 595 HA ARG 75 HA ARG 75 0.923 8.530 -6.172 596 1HB ARG 75 HB2 ARG 75 -0.038 8.791 -3.575 597 2HB ARG 75 HB1 ARG 75 0.620 7.155 -3.594 598 1HG ARG 75 HG2 ARG 75 2.702 8.154 -4.673 599 2HG ARG 75 HG1 ARG 75 2.042 9.731 -4.247 600 1HD ARG 75 HD2 ARG 75 2.536 7.492 -2.253 601 2HD ARG 75 HD1 ARG 75 3.609 8.886 -2.497 602 HE ARG 75 HE ARG 75 0.735 9.198 -1.707 603 1HH1 ARG 75 HH11 ARG 75 3.436 10.970 -2.462 604 2HH1 ARG 75 HH12 ARG 75 3.497 11.872 -0.984 605 1HH2 ARG 75 HH21 ARG 75 1.078 9.953 0.596 606 2HH2 ARG 75 HH22 ARG 75 2.161 11.296 0.746 607 H GLY 76 HN GLY 76 -1.037 6.861 -7.432 608 1HA GLY 76 HA2 GLY 76 -0.922 4.139 -6.536 609 2HA GLY 76 HA1 GLY 76 -1.378 4.657 -8.161 610 H GLY 77 HN GLY 77 1.391 6.149 -8.007 611 1HA GLY 77 HA2 GLY 77 2.826 3.983 -9.368 612 2HA GLY 77 HA1 GLY 77 3.388 5.647 -9.190 613 H ASP 78 HN ASP 78 4.920 6.038 -7.663 614 HA ASP 78 HA ASP 78 5.238 4.052 -5.461 615 1HB ASP 78 HB2 ASP 78 7.660 3.996 -5.951 616 2HB ASP 78 HB1 ASP 78 6.724 3.478 -7.353 617 H LEU 79 HN LEU 79 6.883 4.908 -3.822 618 HA LEU 79 HA LEU 79 6.166 7.635 -3.049 619 1HB LEU 79 HB2 LEU 79 8.134 5.583 -1.965 620 2HB LEU 79 HB1 LEU 79 7.673 7.064 -1.128 621 HG LEU 79 HG LEU 79 5.226 6.154 -1.484 622 1HD1 LEU 79 HD11 LEU 79 6.999 3.778 -1.964 623 2HD1 LEU 79 HD12 LEU 79 5.490 4.219 -2.764 624 3HD1 LEU 79 HD13 LEU 79 5.460 3.551 -1.132 625 1HD2 LEU 79 HD21 LEU 79 5.277 5.425 0.735 626 2HD2 LEU 79 HD22 LEU 79 6.754 6.384 0.651 627 3HD2 LEU 79 HD23 LEU 79 6.838 4.626 0.540 628 H GLY 80 HN GLY 80 9.269 6.007 -3.580 629 1HA GLY 80 HA2 GLY 80 10.771 7.051 -5.347 630 2HA GLY 80 HA1 GLY 80 10.436 8.581 -4.534 631 H SER 81 HN SER 81 11.160 8.835 -2.340 632 HA SER 81 HA SER 81 13.041 6.823 -1.277 633 1HB SER 81 HB2 SER 81 14.950 8.021 -1.691 634 2HB SER 81 HB1 SER 81 13.988 8.542 -3.072 635 HG SER 81 HG SER 81 14.394 10.454 -2.252 636 H PHE 82 HN PHE 82 13.152 6.957 0.941 637 HA PHE 82 HA PHE 82 12.793 9.410 2.438 638 1HB PHE 82 HB2 PHE 82 10.571 8.732 3.409 639 2HB PHE 82 HB1 PHE 82 10.493 9.111 1.689 640 HD1 PHE 82 HD1 PHE 82 10.463 7.247 -0.001 641 HD2 PHE 82 HD2 PHE 82 10.112 6.531 4.220 642 HE1 PHE 82 HE1 PHE 82 9.584 4.979 -0.461 643 HE2 PHE 82 HE2 PHE 82 9.228 4.264 3.758 644 HZ PHE 82 HZ PHE 82 8.967 3.488 1.415 645 H GLY 83 HN GLY 83 11.618 8.018 4.762 646 1HA GLY 83 HA2 GLY 83 12.371 5.723 5.760 647 2HA GLY 83 HA1 GLY 83 13.985 6.333 5.423 648 H ARG 84 HN ARG 84 14.411 8.575 6.391 649 HA ARG 84 HA ARG 84 13.614 8.486 9.240 650 1HB ARG 84 HB2 ARG 84 15.457 10.479 7.927 651 2HB ARG 84 HB1 ARG 84 15.531 9.828 9.562 652 1HG ARG 84 HG2 ARG 84 16.250 8.440 6.972 653 2HG ARG 84 HG1 ARG 84 17.286 8.741 8.367 654 1HD ARG 84 HD2 ARG 84 14.930 6.823 8.237 655 2HD ARG 84 HD1 ARG 84 16.641 6.408 8.449 656 HE ARG 84 HE ARG 84 15.959 8.267 10.481 657 1HH1 ARG 84 HH11 ARG 84 13.443 6.740 10.662 658 2HH1 ARG 84 HH12 ARG 84 13.858 5.429 11.715 659 1HH2 ARG 84 HH21 ARG 84 17.278 5.849 11.323 660 2HH2 ARG 84 HH22 ARG 84 16.029 4.922 12.087 661 H GLY 85 HN GLY 85 11.320 9.154 8.173 662 1HA GLY 85 HA2 GLY 85 10.582 11.663 9.120 663 2HA GLY 85 HA1 GLY 85 11.038 11.948 7.441 664 H GLN 86 HN GLN 86 10.122 9.194 6.676 665 HA GLN 86 HA GLN 86 7.156 9.653 6.861 666 1HB GLN 86 HB2 GLN 86 8.510 8.390 4.493 667 2HB GLN 86 HB1 GLN 86 6.988 9.272 4.548 668 1HG GLN 86 HG2 GLN 86 8.402 11.332 5.141 669 2HG GLN 86 HG1 GLN 86 9.791 10.359 4.653 670 1HE2 GLN 86 HE21 GLN 86 8.571 12.791 3.293 671 2HE2 GLN 86 HE22 GLN 86 8.228 12.275 1.713 672 H MET 87 HN MET 87 5.950 7.555 6.288 673 HA MET 87 HA MET 87 5.520 5.290 6.860 674 1HB MET 87 HB2 MET 87 8.187 5.578 5.565 675 2HB MET 87 HB1 MET 87 7.826 4.003 6.289 676 1HG MET 87 HG2 MET 87 7.108 4.185 3.886 677 2HG MET 87 HG1 MET 87 5.787 3.814 4.993 678 1HE MET 87 HE1 MET 87 7.887 6.785 3.975 679 2HE MET 87 HE2 MET 87 6.793 7.857 3.106 680 3HE MET 87 HE3 MET 87 7.240 6.304 2.405 681 H GLN 88 HN GLN 88 5.264 5.288 9.136 682 HA GLN 88 HA GLN 88 7.409 5.652 11.011 683 1HB GLN 88 HB2 GLN 88 4.804 5.842 11.183 684 2HB GLN 88 HB1 GLN 88 4.876 4.125 11.571 685 1HG GLN 88 HG2 GLN 88 5.143 4.914 13.703 686 2HG GLN 88 HG1 GLN 88 6.831 5.040 13.203 687 1HE2 GLN 88 HE21 GLN 88 6.960 6.877 14.808 688 2HE2 GLN 88 HE22 GLN 88 6.411 8.414 14.341 689 H LYS 89 HN LYS 89 6.283 3.118 12.498 690 HA LYS 89 HA LYS 89 8.565 1.425 11.895 691 1HB LYS 89 HB2 LYS 89 6.560 1.829 13.923 692 2HB LYS 89 HB1 LYS 89 6.705 0.109 13.561 693 1HG LYS 89 HG2 LYS 89 8.639 0.015 14.702 694 2HG LYS 89 HG1 LYS 89 9.337 1.234 13.635 695 1HD LYS 89 HD2 LYS 89 7.604 2.665 15.312 696 2HD LYS 89 HD1 LYS 89 8.414 1.513 16.376 697 1HE LYS 89 HE2 LYS 89 10.547 2.334 14.925 698 2HE LYS 89 HE1 LYS 89 9.557 3.807 14.867 699 1HZ LYS 89 HZ1 LYS 89 9.193 3.097 17.390 700 2HZ LYS 89 HZ2 LYS 89 10.460 4.119 16.904 701 3HZ LYS 89 HZ3 LYS 89 10.751 2.465 17.164 702 HA PRO 90 HA PRO 90 5.081 -1.501 10.331 703 1HB PRO 90 HB2 PRO 90 3.045 -0.315 8.939 704 2HB PRO 90 HB1 PRO 90 2.967 -0.669 10.676 705 1HG PRO 90 HG2 PRO 90 3.497 1.900 9.289 706 2HG PRO 90 HG1 PRO 90 2.607 1.583 10.786 707 1HD PRO 90 HD2 PRO 90 5.161 2.557 10.685 708 2HD PRO 90 HD1 PRO 90 4.492 1.669 12.071 709 H PHE 91 HN PHE 91 4.226 0.836 7.837 710 HA PHE 91 HA PHE 91 5.092 -0.552 5.628 711 1HB PHE 91 HB2 PHE 91 3.916 1.600 5.553 712 2HB PHE 91 HB1 PHE 91 5.356 2.424 6.153 713 HD1 PHE 91 HD1 PHE 91 7.583 1.943 4.744 714 HD2 PHE 91 HD2 PHE 91 3.584 1.512 3.241 715 HE1 PHE 91 HE1 PHE 91 8.443 2.077 2.456 716 HE2 PHE 91 HE2 PHE 91 4.457 1.667 0.917 717 HZ PHE 91 HZ PHE 91 6.886 1.953 0.525 718 H GLU 92 HN GLU 92 7.133 1.878 7.260 719 HA GLU 92 HA GLU 92 9.483 1.707 5.880 720 1HB GLU 92 HB2 GLU 92 8.840 2.933 8.064 721 2HB GLU 92 HB1 GLU 92 9.431 1.492 8.893 722 1HG GLU 92 HG2 GLU 92 11.607 1.975 8.445 723 2HG GLU 92 HG1 GLU 92 11.243 2.529 6.810 724 H GLU 93 HN GLU 93 8.931 -0.431 8.706 725 HA GLU 93 HA GLU 93 11.114 -2.151 8.279 726 1HB GLU 93 HB2 GLU 93 10.002 -3.567 9.820 727 2HB GLU 93 HB1 GLU 93 9.361 -1.968 10.188 728 1HG GLU 93 HG2 GLU 93 7.301 -2.834 9.879 729 2HG GLU 93 HG1 GLU 93 7.692 -2.939 8.162 730 H ALA 94 HN ALA 94 8.191 -1.844 6.452 731 HA ALA 94 HA ALA 94 8.205 -4.485 5.239 732 1HB ALA 94 HB1 ALA 94 7.034 -2.051 3.939 733 2HB ALA 94 HB2 ALA 94 6.387 -2.547 5.503 734 3HB ALA 94 HB3 ALA 94 6.328 -3.656 4.132 735 H THR 95 HN THR 95 9.008 -1.244 3.963 736 HA THR 95 HA THR 95 10.248 -2.270 1.559 737 HB THR 95 HB THR 95 10.574 0.397 2.975 738 HG1 THR 95 HG1 THR 95 8.856 0.718 1.148 739 1HG2 THR 95 HG21 THR 95 12.163 -0.007 1.127 740 2HG2 THR 95 HG22 THR 95 10.993 1.242 0.701 741 3HG2 THR 95 HG23 THR 95 10.815 -0.390 0.057 742 H TYR 96 HN TYR 96 11.350 -1.547 4.810 743 HA TYR 96 HA TYR 96 14.200 -1.631 4.186 744 1HB TYR 96 HB2 TYR 96 12.392 -1.454 6.553 745 2HB TYR 96 HB1 TYR 96 14.026 -2.049 6.849 746 HD1 TYR 96 HD1 TYR 96 11.985 0.848 6.238 747 HD2 TYR 96 HD2 TYR 96 15.997 -0.661 5.960 748 HE1 TYR 96 HE1 TYR 96 12.850 3.170 6.102 749 HE2 TYR 96 HE2 TYR 96 16.862 1.661 5.829 750 HH TYR 96 HH TYR 96 15.917 4.025 6.664 751 H ALA 97 HN ALA 97 11.689 -3.932 4.989 752 HA ALA 97 HA ALA 97 13.548 -6.111 5.666 753 1HB ALA 97 HB1 ALA 97 11.375 -7.373 5.767 754 2HB ALA 97 HB2 ALA 97 10.556 -5.926 5.178 755 3HB ALA 97 HB3 ALA 97 11.364 -5.905 6.745 756 H LEU 98 HN LEU 98 11.386 -5.245 2.958 757 HA LEU 98 HA LEU 98 12.201 -7.572 1.363 758 1HB LEU 98 HB2 LEU 98 9.977 -6.076 1.516 759 2HB LEU 98 HB1 LEU 98 10.794 -5.195 0.227 760 HG LEU 98 HG LEU 98 11.150 -7.862 -0.478 761 1HD1 LEU 98 HD11 LEU 98 8.221 -7.689 -0.069 762 2HD1 LEU 98 HD12 LEU 98 9.170 -7.964 1.393 763 3HD1 LEU 98 HD13 LEU 98 9.292 -9.087 0.039 764 1HD2 LEU 98 HD21 LEU 98 9.317 -7.276 -2.174 765 2HD2 LEU 98 HD22 LEU 98 10.689 -6.170 -2.102 766 3HD2 LEU 98 HD23 LEU 98 9.167 -5.738 -1.325 767 H LYS 99 HN LYS 99 14.052 -7.585 0.141 768 HA LYS 99 HA LYS 99 15.155 -4.948 -0.784 769 1HB LYS 99 HB2 LYS 99 16.401 -6.103 1.066 770 2HB LYS 99 HB1 LYS 99 16.643 -7.480 -0.011 771 1HG LYS 99 HG2 LYS 99 18.265 -6.421 -1.196 772 2HG LYS 99 HG1 LYS 99 17.391 -4.889 -1.196 773 1HD LYS 99 HD2 LYS 99 18.036 -4.724 1.293 774 2HD LYS 99 HD1 LYS 99 19.192 -6.012 0.952 775 1HE LYS 99 HE2 LYS 99 19.070 -3.415 -0.621 776 2HE LYS 99 HE1 LYS 99 20.186 -3.704 0.729 777 1HZ LYS 99 HZ1 LYS 99 21.160 -5.514 -0.382 778 2HZ LYS 99 HZ2 LYS 99 21.044 -4.295 -1.560 779 3HZ LYS 99 HZ3 LYS 99 19.932 -5.581 -1.550 780 H VAL 100 HN VAL 100 13.630 -5.651 -2.685 781 HA VAL 100 HA VAL 100 13.412 -6.508 -4.876 782 HB VAL 100 HB VAL 100 16.409 -6.327 -4.453 783 1HG1 VAL 100 HG11 VAL 100 16.599 -7.431 -6.421 784 2HG1 VAL 100 HG12 VAL 100 15.875 -6.008 -7.168 785 3HG1 VAL 100 HG13 VAL 100 14.860 -7.370 -6.701 786 1HG2 VAL 100 HG21 VAL 100 14.303 -4.511 -5.653 787 2HG2 VAL 100 HG22 VAL 100 16.034 -4.242 -5.851 788 3HG2 VAL 100 HG23 VAL 100 15.313 -4.195 -4.243 789 H GLY 101 HN GLY 101 13.818 -8.405 -2.463 790 1HA GLY 101 HA2 GLY 101 14.713 -10.809 -3.998 791 2HA GLY 101 HA1 GLY 101 14.712 -10.693 -2.235 792 H ASP 102 HN ASP 102 11.997 -9.166 -2.820 793 HA ASP 102 HA ASP 102 10.250 -11.478 -3.451 794 1HB ASP 102 HB2 ASP 102 10.606 -10.120 -0.783 795 2HB ASP 102 HB1 ASP 102 9.051 -10.843 -1.202 796 H ILE 103 HN ILE 103 7.848 -10.323 -2.578 797 HA ILE 103 HA ILE 103 7.695 -7.923 -4.349 798 HB ILE 103 HB ILE 103 5.594 -9.828 -3.271 799 1HG1 ILE 103 HG12 ILE 103 7.102 -9.609 -5.882 800 2HG1 ILE 103 HG11 ILE 103 6.905 -11.024 -4.849 801 1HG2 ILE 103 HG21 ILE 103 4.012 -8.681 -4.610 802 2HG2 ILE 103 HG22 ILE 103 5.267 -7.830 -5.512 803 3HG2 ILE 103 HG23 ILE 103 4.933 -7.390 -3.837 804 1HD1 ILE 103 HD11 ILE 103 4.701 -9.668 -6.434 805 2HD1 ILE 103 HD12 ILE 103 4.484 -11.061 -5.375 806 3HD1 ILE 103 HD13 ILE 103 5.464 -11.207 -6.834 807 H SER 104 HN SER 104 5.623 -8.913 -1.640 808 HA SER 104 HA SER 104 6.389 -7.150 0.383 809 1HB SER 104 HB2 SER 104 5.149 -5.846 -1.969 810 2HB SER 104 HB1 SER 104 4.490 -5.346 -0.415 811 HG SER 104 HG SER 104 6.875 -5.221 0.151 812 H ASP 105 HN ASP 105 5.325 -8.632 1.738 813 HA ASP 105 HA ASP 105 2.790 -9.809 1.391 814 1HB ASP 105 HB2 ASP 105 4.723 -10.054 3.169 815 2HB ASP 105 HB1 ASP 105 3.770 -8.883 4.080 816 H ILE 106 HN ILE 106 0.960 -9.201 3.177 817 HA ILE 106 HA ILE 106 -0.322 -6.825 2.296 818 HB ILE 106 HB ILE 106 -1.678 -7.251 4.432 819 1HG1 ILE 106 HG12 ILE 106 0.700 -8.683 5.063 820 2HG1 ILE 106 HG11 ILE 106 -0.760 -8.550 6.035 821 1HG2 ILE 106 HG21 ILE 106 -1.204 -9.631 2.614 822 2HG2 ILE 106 HG22 ILE 106 -2.146 -8.212 2.159 823 3HG2 ILE 106 HG23 ILE 106 -2.688 -9.240 3.485 824 1HD1 ILE 106 HD11 ILE 106 -0.161 -10.916 5.620 825 2HD1 ILE 106 HD12 ILE 106 -0.271 -10.636 3.882 826 3HD1 ILE 106 HD13 ILE 106 -1.715 -10.512 4.888 827 H VAL 107 HN VAL 107 -0.066 -4.711 2.899 828 HA VAL 107 HA VAL 107 1.711 -4.126 5.242 829 HB VAL 107 HB VAL 107 1.014 -2.329 2.905 830 1HG1 VAL 107 HG11 VAL 107 3.283 -2.445 4.910 831 2HG1 VAL 107 HG12 VAL 107 2.058 -1.185 4.762 832 3HG1 VAL 107 HG13 VAL 107 3.276 -1.384 3.501 833 1HG2 VAL 107 HG21 VAL 107 2.574 -4.777 2.922 834 2HG2 VAL 107 HG22 VAL 107 3.593 -3.393 2.529 835 3HG2 VAL 107 HG23 VAL 107 2.160 -3.736 1.561 836 H ASP 108 HN ASP 108 -0.222 -4.287 6.674 837 HA ASP 108 HA ASP 108 -2.424 -2.383 6.270 838 1HB ASP 108 HB2 ASP 108 -3.119 -3.372 8.502 839 2HB ASP 108 HB1 ASP 108 -2.900 -4.547 7.204 840 H THR 109 HN THR 109 -1.590 -0.293 6.452 841 HA THR 109 HA THR 109 -1.216 0.780 9.104 842 HB THR 109 HB THR 109 0.949 -0.267 8.969 843 HG1 THR 109 HG1 THR 109 1.669 2.246 8.032 844 1HG2 THR 109 HG21 THR 109 1.850 -0.764 6.973 845 2HG2 THR 109 HG22 THR 109 2.098 0.952 6.654 846 3HG2 THR 109 HG23 THR 109 0.589 0.176 6.175 847 H ASP 110 HN ASP 110 0.077 3.123 8.585 848 HA ASP 110 HA ASP 110 -0.463 5.261 7.702 849 1HB ASP 110 HB2 ASP 110 1.211 4.233 6.187 850 2HB ASP 110 HB1 ASP 110 -0.097 3.558 5.216 851 H SER 111 HN SER 111 -1.800 4.140 4.738 852 HA SER 111 HA SER 111 -4.412 5.289 5.406 853 1HB SER 111 HB2 SER 111 -2.794 4.795 3.133 854 2HB SER 111 HB1 SER 111 -4.287 3.892 2.889 855 HG SER 111 HG SER 111 -4.022 6.352 2.388 856 H GLY 112 HN GLY 112 -3.020 2.086 5.111 857 1HA GLY 112 HA2 GLY 112 -4.857 0.652 6.567 858 2HA GLY 112 HA1 GLY 112 -5.599 0.720 4.967 859 H VAL 113 HN VAL 113 -5.220 -1.249 4.012 860 HA VAL 113 HA VAL 113 -2.603 -2.582 4.462 861 HB VAL 113 HB VAL 113 -3.798 -4.453 3.269 862 1HG1 VAL 113 HG11 VAL 113 -5.819 -3.880 5.248 863 2HG1 VAL 113 HG12 VAL 113 -4.240 -3.380 5.855 864 3HG1 VAL 113 HG13 VAL 113 -4.496 -5.044 5.329 865 1HG2 VAL 113 HG21 VAL 113 -5.417 -2.361 2.386 866 2HG2 VAL 113 HG22 VAL 113 -6.421 -3.215 3.559 867 3HG2 VAL 113 HG23 VAL 113 -5.740 -4.083 2.183 868 H HIS 114 HN HIS 114 -0.997 -2.356 2.987 869 HA HIS 114 HA HIS 114 -1.728 -1.597 0.173 870 1HB HIS 114 HB2 HIS 114 0.559 -0.674 1.944 871 2HB HIS 114 HB1 HIS 114 0.376 -0.237 0.248 872 HD1 HIS 114 HD1 HIS 114 -0.966 1.821 -0.209 873 HD2 HIS 114 HD2 HIS 114 -1.771 0.258 3.567 874 HE1 HIS 114 HE1 HIS 114 -2.505 3.475 0.938 875 H ILE 115 HN ILE 115 0.567 -1.797 -1.088 876 HA ILE 115 HA ILE 115 2.000 -4.294 -0.353 877 HB ILE 115 HB ILE 115 1.601 -4.889 -2.906 878 1HG1 ILE 115 HG12 ILE 115 -1.089 -3.706 -2.487 879 2HG1 ILE 115 HG11 ILE 115 0.198 -2.562 -2.869 880 1HG2 ILE 115 HG21 ILE 115 0.462 -6.565 -1.935 881 2HG2 ILE 115 HG22 ILE 115 -0.913 -5.499 -1.649 882 3HG2 ILE 115 HG23 ILE 115 0.377 -5.614 -0.452 883 1HD1 ILE 115 HD11 ILE 115 0.704 -3.659 -4.921 884 2HD1 ILE 115 HD12 ILE 115 -1.056 -3.571 -4.867 885 3HD1 ILE 115 HD13 ILE 115 -0.236 -5.084 -4.478 886 H ILE 116 HN ILE 116 4.020 -3.338 -0.263 887 HA ILE 116 HA ILE 116 4.808 -1.142 -1.970 888 HB ILE 116 HB ILE 116 6.064 -2.936 0.083 889 1HG1 ILE 116 HG12 ILE 116 6.550 -0.280 0.671 890 2HG1 ILE 116 HG11 ILE 116 4.987 -0.215 -0.140 891 1HG2 ILE 116 HG21 ILE 116 8.198 -1.740 -0.170 892 2HG2 ILE 116 HG22 ILE 116 7.550 -0.849 -1.547 893 3HG2 ILE 116 HG23 ILE 116 7.800 -2.591 -1.663 894 1HD1 ILE 116 HD11 ILE 116 3.928 -1.230 1.585 895 2HD1 ILE 116 HD12 ILE 116 5.371 -0.848 2.524 896 3HD1 ILE 116 HD13 ILE 116 5.204 -2.433 1.769 897 H LYS 117 HN LYS 117 6.913 -1.297 -3.245 898 HA LYS 117 HA LYS 117 7.643 -3.848 -4.459 899 1HB LYS 117 HB2 LYS 117 5.357 -3.051 -5.408 900 2HB LYS 117 HB1 LYS 117 6.299 -1.816 -6.244 901 1HG LYS 117 HG2 LYS 117 7.393 -3.361 -7.586 902 2HG LYS 117 HG1 LYS 117 7.193 -4.669 -6.419 903 1HD LYS 117 HD2 LYS 117 5.548 -5.334 -7.859 904 2HD LYS 117 HD1 LYS 117 4.594 -4.138 -6.980 905 1HE LYS 117 HE2 LYS 117 4.290 -3.621 -9.306 906 2HE LYS 117 HE1 LYS 117 5.460 -2.427 -8.711 907 1HZ LYS 117 HZ1 LYS 117 7.170 -3.422 -9.774 908 2HZ LYS 117 HZ2 LYS 117 5.944 -3.987 -10.805 909 3HZ LYS 117 HZ3 LYS 117 6.545 -4.986 -9.570 910 H ARG 118 HN ARG 118 9.838 -3.494 -4.652 911 HA ARG 118 HA ARG 118 10.801 -0.738 -5.283 912 1HB ARG 118 HB2 ARG 118 11.909 -3.213 -3.978 913 2HB ARG 118 HB1 ARG 118 13.017 -1.996 -4.613 914 1HG ARG 118 HG2 ARG 118 11.197 -0.443 -3.260 915 2HG ARG 118 HG1 ARG 118 11.267 -1.885 -2.246 916 1HD ARG 118 HD2 ARG 118 13.064 -0.692 -1.364 917 2HD ARG 118 HD1 ARG 118 13.905 -1.574 -2.656 918 HE ARG 118 HE ARG 118 12.736 1.127 -3.188 919 1HH1 ARG 118 HH21 ARG 118 15.565 -0.520 -2.345 920 2HH1 ARG 118 HH22 ARG 118 16.555 0.218 -3.560 921 1HH2 ARG 118 HH11 ARG 118 13.902 1.822 -5.118 922 2HH2 ARG 118 HH12 ARG 118 15.613 1.548 -5.129 923 H THR 119 HN THR 119 12.486 -3.770 -5.966 924 HA THR 119 HA THR 119 12.394 -3.082 -8.884 925 HB THR 119 HB THR 119 14.733 -4.573 -7.926 926 HG1 THR 119 HG1 THR 119 14.513 -1.891 -7.093 927 1HG2 THR 119 HG21 THR 119 14.068 -2.935 -10.042 928 2HG2 THR 119 HG22 THR 119 15.707 -3.429 -9.617 929 3HG2 THR 119 HG23 THR 119 15.076 -1.884 -9.048 930 H ALA 120 HN ALA 120 13.713 -5.856 -7.086 931 HA ALA 120 HA ALA 120 13.454 -8.173 -7.578 932 1HB ALA 120 HB1 ALA 120 11.534 -7.157 -6.101 933 2HB ALA 120 HB2 ALA 120 11.369 -8.800 -6.719 934 3HB ALA 120 HB3 ALA 120 10.533 -7.469 -7.518 Start of MODEL 4 1 1H HIS 1 HT1 HIS 1 30.519 16.714 2.836 2 2H HIS 1 HT2 HIS 1 29.564 15.321 2.660 3 3H HIS 1 HT3 HIS 1 30.020 16.219 1.292 4 HA HIS 1 HA HIS 1 32.150 15.403 1.270 5 1HB HIS 1 HB2 HIS 1 32.063 16.239 3.820 6 2HB HIS 1 HB1 HIS 1 32.036 14.500 4.113 7 HD1 HIS 1 HD1 HIS 1 34.477 14.516 5.031 8 HD2 HIS 1 HD2 HIS 1 34.148 15.839 1.092 9 HE1 HIS 1 HE1 HIS 1 36.829 14.572 4.096 10 H MET 2 HN MET 2 32.904 12.985 2.707 11 HA MET 2 HA MET 2 31.244 11.057 1.242 12 1HB MET 2 HB2 MET 2 33.802 11.108 1.572 13 2HB MET 2 HB1 MET 2 33.482 10.506 3.198 14 1HG MET 2 HG2 MET 2 32.004 8.730 1.932 15 2HG MET 2 HG1 MET 2 33.025 9.155 0.558 16 1HE MET 2 HE1 MET 2 32.556 6.515 2.828 17 2HE MET 2 HE2 MET 2 32.711 7.752 4.073 18 3HE MET 2 HE3 MET 2 33.886 6.443 3.992 19 H ALA 3 HN ALA 3 29.606 9.863 2.143 20 HA ALA 3 HA ALA 3 29.521 8.962 4.864 21 1HB ALA 3 HB1 ALA 3 28.999 11.687 4.519 22 2HB ALA 3 HB2 ALA 3 28.599 10.730 5.945 23 3HB ALA 3 HB3 ALA 3 27.399 10.961 4.673 24 H SER 4 HN SER 4 27.476 10.118 2.167 25 HA SER 4 HA SER 4 25.659 9.068 1.077 26 1HB SER 4 HB2 SER 4 26.435 6.465 2.309 27 2HB SER 4 HB1 SER 4 26.092 6.847 0.625 28 HG SER 4 HG SER 4 28.119 8.046 0.677 29 H ARG 5 HN ARG 5 23.598 7.842 1.578 30 HA ARG 5 HA ARG 5 22.990 7.758 4.510 31 1HB ARG 5 HB2 ARG 5 20.898 8.956 4.019 32 2HB ARG 5 HB1 ARG 5 22.277 9.903 3.460 33 1HG ARG 5 HG2 ARG 5 21.079 7.976 1.527 34 2HG ARG 5 HG1 ARG 5 20.154 9.433 1.891 35 1HD ARG 5 HD2 ARG 5 22.962 10.078 1.486 36 2HD ARG 5 HD1 ARG 5 22.281 9.248 0.072 37 HE ARG 5 HE ARG 5 21.140 11.275 -0.318 38 1HH1 ARG 5 HH11 ARG 5 22.416 11.771 2.677 39 2HH1 ARG 5 HH12 ARG 5 21.073 12.645 3.333 40 1HH2 ARG 5 HH21 ARG 5 18.959 11.909 0.684 41 2HH2 ARG 5 HH22 ARG 5 19.115 12.723 2.205 42 H ASP 6 HN ASP 6 20.158 7.215 3.861 43 HA ASP 6 HA ASP 6 20.337 4.611 2.417 44 1HB ASP 6 HB2 ASP 6 20.704 4.423 4.936 45 2HB ASP 6 HB1 ASP 6 19.034 4.957 5.127 46 H GLN 7 HN GLN 7 17.865 6.219 4.424 47 HA GLN 7 HA GLN 7 15.633 6.813 3.897 48 1HB GLN 7 HB2 GLN 7 17.306 8.132 2.285 49 2HB GLN 7 HB1 GLN 7 16.507 7.153 1.054 50 1HG GLN 7 HG2 GLN 7 14.303 7.952 1.890 51 2HG GLN 7 HG1 GLN 7 15.143 8.991 3.042 52 1HE2 GLN 7 HE21 GLN 7 15.329 11.097 2.284 53 2HE2 GLN 7 HE22 GLN 7 15.508 11.538 0.655 54 H VAL 8 HN VAL 8 13.744 6.100 2.449 55 HA VAL 8 HA VAL 8 14.296 3.492 1.092 56 HB VAL 8 HB VAL 8 13.657 2.816 3.260 57 1HG1 VAL 8 HG11 VAL 8 11.555 3.886 4.323 58 2HG1 VAL 8 HG12 VAL 8 11.773 5.168 3.131 59 3HG1 VAL 8 HG13 VAL 8 13.040 4.837 4.313 60 1HG2 VAL 8 HG21 VAL 8 11.900 2.393 1.122 61 2HG2 VAL 8 HG22 VAL 8 10.854 2.829 2.474 62 3HG2 VAL 8 HG23 VAL 8 11.964 1.466 2.621 63 H LYS 9 HN LYS 9 13.738 4.226 -0.985 64 HA LYS 9 HA LYS 9 11.316 5.823 -1.448 65 1HB LYS 9 HB2 LYS 9 13.384 4.462 -3.191 66 2HB LYS 9 HB1 LYS 9 12.013 5.357 -3.848 67 1HG LYS 9 HG2 LYS 9 12.938 7.154 -2.042 68 2HG LYS 9 HG1 LYS 9 14.445 6.368 -2.488 69 1HD LYS 9 HD2 LYS 9 12.748 8.214 -4.036 70 2HD LYS 9 HD1 LYS 9 14.465 7.877 -4.192 71 1HE LYS 9 HE2 LYS 9 13.450 5.553 -5.176 72 2HE LYS 9 HE1 LYS 9 12.164 6.684 -5.640 73 1HZ LYS 9 HZ1 LYS 9 14.930 6.579 -6.515 74 2HZ LYS 9 HZ2 LYS 9 14.352 8.133 -6.148 75 3HZ LYS 9 HZ3 LYS 9 13.563 7.184 -7.315 76 H ALA 10 HN ALA 10 9.642 4.905 -3.086 77 HA ALA 10 HA ALA 10 9.376 2.125 -3.610 78 1HB ALA 10 HB1 ALA 10 7.541 2.297 -1.429 79 2HB ALA 10 HB2 ALA 10 9.113 2.847 -0.852 80 3HB ALA 10 HB3 ALA 10 8.950 1.248 -1.578 81 H SER 11 HN SER 11 7.050 1.435 -3.869 82 HA SER 11 HA SER 11 5.222 3.713 -4.500 83 1HB SER 11 HB2 SER 11 4.724 2.674 -6.610 84 2HB SER 11 HB1 SER 11 6.479 2.609 -6.473 85 HG SER 11 HG SER 11 6.324 0.480 -5.839 86 H HIS 12 HN HIS 12 2.839 2.509 -4.848 87 HA HIS 12 HA HIS 12 2.572 0.035 -3.325 88 1HB HIS 12 HB2 HIS 12 1.869 0.921 -1.231 89 2HB HIS 12 HB1 HIS 12 3.306 1.840 -1.672 90 HD1 HIS 12 HD1 HIS 12 1.591 3.531 -3.885 91 HD2 HIS 12 HD2 HIS 12 0.807 3.176 0.194 92 HE1 HIS 12 HE1 HIS 12 0.198 5.547 -3.245 93 H ILE 13 HN ILE 13 0.190 -0.093 -2.399 94 HA ILE 13 HA ILE 13 -1.827 1.295 -4.074 95 HB ILE 13 HB ILE 13 -0.935 -1.554 -4.308 96 1HG1 ILE 13 HG12 ILE 13 -1.966 0.612 -6.136 97 2HG1 ILE 13 HG11 ILE 13 -0.371 -0.138 -6.131 98 1HG2 ILE 13 HG21 ILE 13 -3.799 -0.737 -4.852 99 2HG2 ILE 13 HG22 ILE 13 -3.300 -1.677 -3.446 100 3HG2 ILE 13 HG23 ILE 13 -3.097 -2.337 -5.066 101 1HD1 ILE 13 HD11 ILE 13 -2.828 -1.013 -7.455 102 2HD1 ILE 13 HD12 ILE 13 -2.096 -2.290 -6.483 103 3HD1 ILE 13 HD13 ILE 13 -1.160 -1.503 -7.753 104 H LEU 14 HN LEU 14 -4.113 0.398 -3.310 105 HA LEU 14 HA LEU 14 -4.013 -0.587 -0.500 106 1HB LEU 14 HB2 LEU 14 -3.931 1.858 -0.387 107 2HB LEU 14 HB1 LEU 14 -5.352 1.970 -1.427 108 HG LEU 14 HG LEU 14 -6.233 0.257 0.521 109 1HD1 LEU 14 HD11 LEU 14 -5.497 0.969 2.657 110 2HD1 LEU 14 HD12 LEU 14 -4.675 2.377 1.987 111 3HD1 LEU 14 HD13 LEU 14 -4.026 0.762 1.706 112 1HD2 LEU 14 HD21 LEU 14 -6.528 3.159 1.105 113 2HD2 LEU 14 HD22 LEU 14 -7.768 1.919 0.910 114 3HD2 LEU 14 HD23 LEU 14 -7.006 2.634 -0.510 115 H ILE 15 HN ILE 15 -5.793 -1.818 0.048 116 HA ILE 15 HA ILE 15 -7.864 -2.202 -2.076 117 HB ILE 15 HB ILE 15 -6.556 -3.859 0.049 118 1HG1 ILE 15 HG12 ILE 15 -7.386 -4.223 -2.838 119 2HG1 ILE 15 HG11 ILE 15 -5.748 -4.124 -2.191 120 1HG2 ILE 15 HG21 ILE 15 -8.992 -3.995 0.564 121 2HG2 ILE 15 HG22 ILE 15 -8.347 -5.528 -0.024 122 3HG2 ILE 15 HG23 ILE 15 -9.293 -4.498 -1.099 123 1HD1 ILE 15 HD11 ILE 15 -5.949 -6.421 -2.401 124 2HD1 ILE 15 HD12 ILE 15 -7.687 -6.401 -2.103 125 3HD1 ILE 15 HD13 ILE 15 -6.560 -6.213 -0.759 126 H LYS 16 HN LYS 16 -10.107 -2.759 -1.076 127 HA LYS 16 HA LYS 16 -10.735 -0.678 0.956 128 1HB LYS 16 HB2 LYS 16 -12.448 -2.388 -0.879 129 2HB LYS 16 HB1 LYS 16 -13.054 -1.087 0.146 130 1HG LYS 16 HG2 LYS 16 -11.712 0.551 -1.047 131 2HG LYS 16 HG1 LYS 16 -10.940 -0.721 -1.995 132 1HD LYS 16 HD2 LYS 16 -13.857 -0.856 -2.135 133 2HD LYS 16 HD1 LYS 16 -13.227 0.685 -2.723 134 1HE LYS 16 HE2 LYS 16 -11.845 -0.389 -4.357 135 2HE LYS 16 HE1 LYS 16 -12.092 -1.983 -3.615 136 1HZ LYS 16 HZ1 LYS 16 -13.557 -1.533 -5.566 137 2HZ LYS 16 HZ2 LYS 16 -14.298 -0.297 -4.667 138 3HZ LYS 16 HZ3 LYS 16 -14.395 -1.910 -4.141 139 H HIS 17 HN HIS 17 -11.429 -1.217 3.000 140 HA HIS 17 HA HIS 17 -12.649 -3.766 3.674 141 1HB HIS 17 HB2 HIS 17 -10.791 -4.769 4.794 142 2HB HIS 17 HB1 HIS 17 -10.183 -4.265 3.230 143 HD1 HIS 17 HD1 HIS 17 -10.235 -1.136 4.440 144 HD2 HIS 17 HD2 HIS 17 -8.102 -4.463 5.753 145 HE1 HIS 17 HE1 HIS 17 -8.252 -0.240 5.742 146 H GLN 18 HN GLN 18 -11.955 -3.883 6.384 147 HA GLN 18 HA GLN 18 -13.558 -1.859 7.564 148 1HB GLN 18 HB2 GLN 18 -11.677 -3.994 8.405 149 2HB GLN 18 HB1 GLN 18 -11.974 -2.731 9.601 150 1HG GLN 18 HG2 GLN 18 -14.341 -3.859 8.171 151 2HG GLN 18 HG1 GLN 18 -13.570 -4.866 9.398 152 1HE2 GLN 18 HE21 GLN 18 -15.471 -4.582 10.819 153 2HE2 GLN 18 HE22 GLN 18 -15.714 -3.121 11.649 154 H GLY 19 HN GLY 19 -10.291 -2.131 8.815 155 1HA GLY 19 HA2 GLY 19 -8.621 -0.512 9.154 156 2HA GLY 19 HA1 GLY 19 -9.275 0.345 7.756 157 H SER 20 HN SER 20 -9.301 0.124 11.232 158 HA SER 20 HA SER 20 -10.327 1.504 12.864 159 1HB SER 20 HB2 SER 20 -10.415 3.760 10.959 160 2HB SER 20 HB1 SER 20 -9.566 3.625 12.497 161 HG SER 20 HG SER 20 -8.373 3.637 10.320 162 H ARG 21 HN ARG 21 -12.104 3.697 12.479 163 HA ARG 21 HA ARG 21 -14.538 2.225 11.593 164 1HB ARG 21 HB2 ARG 21 -15.689 3.900 12.951 165 2HB ARG 21 HB1 ARG 21 -14.335 3.246 13.872 166 1HG ARG 21 HG2 ARG 21 -13.113 5.314 12.588 167 2HG ARG 21 HG1 ARG 21 -14.738 5.970 12.792 168 1HD ARG 21 HD2 ARG 21 -14.156 4.741 15.253 169 2HD ARG 21 HD1 ARG 21 -12.671 5.602 14.799 170 HE ARG 21 HE ARG 21 -15.367 6.870 15.027 171 1HH1 ARG 21 HH11 ARG 21 -13.189 7.590 16.935 172 2HH1 ARG 21 HH12 ARG 21 -12.539 9.030 16.227 173 1HH2 ARG 21 HH21 ARG 21 -13.995 8.482 13.129 174 2HH2 ARG 21 HH22 ARG 21 -12.995 9.536 14.072 175 H ARG 22 HN ARG 22 -12.394 3.900 9.959 176 HA ARG 22 HA ARG 22 -14.443 5.410 8.370 177 1HB ARG 22 HB2 ARG 22 -12.525 7.049 7.980 178 2HB ARG 22 HB1 ARG 22 -13.152 7.009 9.629 179 1HG ARG 22 HG2 ARG 22 -11.275 5.950 10.466 180 2HG ARG 22 HG1 ARG 22 -10.913 5.154 8.934 181 1HD ARG 22 HD2 ARG 22 -9.259 6.945 9.424 182 2HD ARG 22 HD1 ARG 22 -10.210 7.346 7.980 183 HE ARG 22 HE ARG 22 -11.311 8.315 10.541 184 1HH1 ARG 22 HH21 ARG 22 -11.957 9.483 7.839 185 2HH1 ARG 22 HH22 ARG 22 -11.036 10.950 7.857 186 1HH2 ARG 22 HH11 ARG 22 -9.032 9.972 10.512 187 2HH2 ARG 22 HH12 ARG 22 -9.381 11.226 9.370 188 H LYS 23 HN LYS 23 -13.387 5.911 6.083 189 HA LYS 23 HA LYS 23 -11.554 3.728 5.220 190 1HB LYS 23 HB2 LYS 23 -14.142 3.224 5.150 191 2HB LYS 23 HB1 LYS 23 -14.097 4.227 3.700 192 1HG LYS 23 HG2 LYS 23 -11.939 2.618 3.266 193 2HG LYS 23 HG1 LYS 23 -12.998 1.519 4.152 194 1HD LYS 23 HD2 LYS 23 -14.856 2.193 2.559 195 2HD LYS 23 HD1 LYS 23 -13.628 3.020 1.599 196 1HE LYS 23 HE2 LYS 23 -12.737 1.058 0.815 197 2HE LYS 23 HE1 LYS 23 -13.002 0.210 2.352 198 1HZ LYS 23 HZ1 LYS 23 -15.488 0.601 1.749 199 2HZ LYS 23 HZ2 LYS 23 -14.647 -0.705 1.059 200 3HZ LYS 23 HZ3 LYS 23 -14.899 0.717 0.162 201 H ALA 24 HN ALA 24 -13.700 6.026 3.489 202 HA ALA 24 HA ALA 24 -11.320 7.545 2.560 203 1HB ALA 24 HB1 ALA 24 -13.270 6.483 0.535 204 2HB ALA 24 HB2 ALA 24 -11.997 5.422 1.139 205 3HB ALA 24 HB3 ALA 24 -11.577 6.927 0.319 206 H SER 25 HN SER 25 -11.966 9.566 1.452 207 HA SER 25 HA SER 25 -14.774 10.396 2.119 208 1HB SER 25 HB2 SER 25 -12.553 12.377 1.937 209 2HB SER 25 HB1 SER 25 -13.916 12.324 3.051 210 HG SER 25 HG SER 25 -11.960 11.815 4.100 211 H TRP 26 HN TRP 26 -15.758 10.316 0.093 212 HA TRP 26 HA TRP 26 -14.439 11.886 -2.099 213 1HB TRP 26 HB2 TRP 26 -15.457 9.140 -1.934 214 2HB TRP 26 HB1 TRP 26 -16.120 10.033 -3.303 215 HD1 TRP 26 HD1 TRP 26 -12.840 8.726 -1.870 216 HE1 TRP 26 HE1 TRP 26 -11.024 8.841 -3.697 217 HE3 TRP 26 HE3 TRP 26 -15.385 11.283 -5.486 218 HZ2 TRP 26 HZ2 TRP 26 -10.695 9.880 -6.340 219 HZ3 TRP 26 HZ3 TRP 26 -14.296 11.822 -7.646 220 HH2 TRP 26 HH2 TRP 26 -11.956 11.125 -8.078 221 H LYS 27 HN LYS 27 -15.942 13.043 -3.483 222 HA LYS 27 HA LYS 27 -18.447 13.803 -2.087 223 1HB LYS 27 HB2 LYS 27 -18.374 15.669 -3.712 224 2HB LYS 27 HB1 LYS 27 -16.828 15.496 -2.880 225 1HG LYS 27 HG2 LYS 27 -16.732 13.786 -5.141 226 2HG LYS 27 HG1 LYS 27 -17.373 15.331 -5.699 227 1HD LYS 27 HD2 LYS 27 -14.866 15.028 -4.021 228 2HD LYS 27 HD1 LYS 27 -14.874 15.231 -5.774 229 1HE LYS 27 HE2 LYS 27 -15.550 17.451 -5.652 230 2HE LYS 27 HE1 LYS 27 -16.387 17.216 -4.104 231 1HZ LYS 27 HZ1 LYS 27 -13.910 16.540 -3.427 232 2HZ LYS 27 HZ2 LYS 27 -14.506 18.123 -3.280 233 3HZ LYS 27 HZ3 LYS 27 -13.563 17.690 -4.625 234 H ASP 28 HN ASP 28 -19.697 11.862 -2.608 235 HA ASP 28 HA ASP 28 -21.363 12.028 -4.879 236 1HB ASP 28 HB2 ASP 28 -18.711 11.106 -5.434 237 2HB ASP 28 HB1 ASP 28 -19.814 9.751 -5.669 238 HA PRO 29 HA PRO 29 -21.750 7.633 -3.044 239 1HB PRO 29 HB2 PRO 29 -19.798 6.763 -1.337 240 2HB PRO 29 HB1 PRO 29 -19.711 6.544 -3.096 241 1HG PRO 29 HG2 PRO 29 -18.352 8.544 -1.370 242 2HG PRO 29 HG1 PRO 29 -17.757 7.702 -2.809 243 1HD PRO 29 HD2 PRO 29 -18.653 10.293 -2.802 244 2HD PRO 29 HD1 PRO 29 -18.656 9.239 -4.234 245 H GLU 30 HN GLU 30 -22.881 9.797 -1.933 246 HA GLU 30 HA GLU 30 -22.344 10.060 0.933 247 1HB GLU 30 HB2 GLU 30 -24.424 11.495 0.757 248 2HB GLU 30 HB1 GLU 30 -23.134 11.950 -0.357 249 1HG GLU 30 HG2 GLU 30 -24.243 11.049 -2.214 250 2HG GLU 30 HG1 GLU 30 -25.245 9.990 -1.222 251 H GLY 31 HN GLY 31 -24.802 10.054 2.128 252 1HA GLY 31 HA2 GLY 31 -26.624 8.701 2.821 253 2HA GLY 31 HA1 GLY 31 -26.281 7.607 1.479 254 H LYS 32 HN LYS 32 -25.894 8.121 4.834 255 HA LYS 32 HA LYS 32 -24.709 6.944 6.502 256 1HB LYS 32 HB2 LYS 32 -25.590 4.844 6.485 257 2HB LYS 32 HB1 LYS 32 -26.388 5.372 5.010 258 1HG LYS 32 HG2 LYS 32 -24.471 4.464 3.692 259 2HG LYS 32 HG1 LYS 32 -23.766 3.862 5.191 260 1HD LYS 32 HD2 LYS 32 -25.849 2.546 5.596 261 2HD LYS 32 HD1 LYS 32 -26.453 3.078 4.027 262 1HE LYS 32 HE2 LYS 32 -24.868 1.815 2.843 263 2HE LYS 32 HE1 LYS 32 -23.759 1.734 4.227 264 1HZ LYS 32 HZ1 LYS 32 -25.233 -0.302 3.730 265 2HZ LYS 32 HZ2 LYS 32 -26.484 0.619 4.418 266 3HZ LYS 32 HZ3 LYS 32 -25.107 0.232 5.335 267 H ILE 33 HN ILE 33 -22.861 5.023 6.621 268 HA ILE 33 HA ILE 33 -20.545 6.233 5.303 269 HB ILE 33 HB ILE 33 -19.314 5.006 6.858 270 1HG1 ILE 33 HG12 ILE 33 -19.950 2.772 6.075 271 2HG1 ILE 33 HG11 ILE 33 -20.069 2.848 7.831 272 1HG2 ILE 33 HG21 ILE 33 -20.383 5.270 8.928 273 2HG2 ILE 33 HG22 ILE 33 -21.959 4.815 8.280 274 3HG2 ILE 33 HG23 ILE 33 -21.264 6.386 7.884 275 1HD1 ILE 33 HD11 ILE 33 -22.063 1.766 7.123 276 2HD1 ILE 33 HD12 ILE 33 -22.311 2.917 5.811 277 3HD1 ILE 33 HD13 ILE 33 -22.545 3.423 7.485 278 H ILE 34 HN ILE 34 -18.870 4.465 4.429 279 HA ILE 34 HA ILE 34 -20.274 3.088 2.201 280 HB ILE 34 HB ILE 34 -17.378 3.772 2.797 281 1HG1 ILE 34 HG12 ILE 34 -18.479 4.975 0.433 282 2HG1 ILE 34 HG11 ILE 34 -19.564 5.290 1.788 283 1HG2 ILE 34 HG21 ILE 34 -18.522 2.768 0.183 284 2HG2 ILE 34 HG22 ILE 34 -17.782 1.691 1.367 285 3HG2 ILE 34 HG23 ILE 34 -16.824 2.967 0.617 286 1HD1 ILE 34 HD11 ILE 34 -16.590 5.666 2.085 287 2HD1 ILE 34 HD12 ILE 34 -17.893 6.380 3.035 288 3HD1 ILE 34 HD13 ILE 34 -17.594 6.939 1.390 289 H LEU 35 HN LEU 35 -20.533 0.883 2.248 290 HA LEU 35 HA LEU 35 -19.946 -0.815 4.385 291 1HB LEU 35 HB2 LEU 35 -20.382 -1.104 1.439 292 2HB LEU 35 HB1 LEU 35 -19.840 -2.528 2.324 293 HG LEU 35 HG LEU 35 -22.380 -2.197 2.127 294 1HD1 LEU 35 HD11 LEU 35 -22.560 -2.598 4.754 295 2HD1 LEU 35 HD12 LEU 35 -20.806 -2.709 4.616 296 3HD1 LEU 35 HD13 LEU 35 -21.834 -3.806 3.694 297 1HD2 LEU 35 HD21 LEU 35 -22.298 0.258 2.623 298 2HD2 LEU 35 HD22 LEU 35 -21.800 -0.127 4.270 299 3HD2 LEU 35 HD23 LEU 35 -23.390 -0.622 3.693 300 H THR 36 HN THR 36 -18.236 -2.535 4.538 301 HA THR 36 HA THR 36 -15.729 -1.973 3.044 302 HB THR 36 HB THR 36 -14.708 -2.055 5.525 303 HG1 THR 36 HG1 THR 36 -16.278 -1.945 6.898 304 1HG2 THR 36 HG21 THR 36 -14.565 0.351 5.434 305 2HG2 THR 36 HG22 THR 36 -15.995 0.445 4.406 306 3HG2 THR 36 HG23 THR 36 -14.502 -0.252 3.778 307 H THR 37 HN THR 37 -14.400 -3.784 2.906 308 HA THR 37 HA THR 37 -15.514 -6.378 3.359 309 HB THR 37 HB THR 37 -12.988 -5.104 2.448 310 HG1 THR 37 HG1 THR 37 -14.994 -6.254 1.380 311 1HG2 THR 37 HG21 THR 37 -11.623 -6.577 3.494 312 2HG2 THR 37 HG22 THR 37 -12.249 -7.746 2.335 313 3HG2 THR 37 HG23 THR 37 -12.961 -7.634 3.941 314 H THR 38 HN THR 38 -12.381 -5.509 4.771 315 HA THR 38 HA THR 38 -12.822 -5.284 7.458 316 HB THR 38 HB THR 38 -12.410 -7.931 7.932 317 HG1 THR 38 HG1 THR 38 -13.640 -9.121 6.576 318 1HG2 THR 38 HG21 THR 38 -15.102 -7.851 8.114 319 2HG2 THR 38 HG22 THR 38 -14.762 -6.127 7.961 320 3HG2 THR 38 HG23 THR 38 -14.033 -7.057 9.271 321 H ARG 39 HN ARG 39 -10.957 -5.935 8.823 322 HA ARG 39 HA ARG 39 -8.459 -5.556 7.438 323 1HB ARG 39 HB2 ARG 39 -7.547 -6.068 9.776 324 2HB ARG 39 HB1 ARG 39 -8.687 -4.731 9.662 325 1HG ARG 39 HG2 ARG 39 -10.279 -7.016 10.073 326 2HG ARG 39 HG1 ARG 39 -8.911 -7.198 11.167 327 1HD ARG 39 HD2 ARG 39 -9.317 -4.994 12.129 328 2HD ARG 39 HD1 ARG 39 -10.609 -4.686 10.953 329 HE ARG 39 HE ARG 39 -11.986 -5.888 12.443 330 1HH1 ARG 39 HH11 ARG 39 -9.167 -6.290 13.964 331 2HH1 ARG 39 HH12 ARG 39 -9.340 -7.968 14.352 332 1HH2 ARG 39 HH21 ARG 39 -12.065 -8.442 12.258 333 2HH2 ARG 39 HH22 ARG 39 -10.982 -9.188 13.385 334 H GLU 40 HN GLU 40 -9.911 -8.422 8.998 335 HA GLU 40 HA GLU 40 -7.739 -10.219 8.410 336 1HB GLU 40 HB2 GLU 40 -9.634 -10.503 10.064 337 2HB GLU 40 HB1 GLU 40 -10.710 -10.782 8.698 338 1HG GLU 40 HG2 GLU 40 -8.909 -12.580 8.020 339 2HG GLU 40 HG1 GLU 40 -8.481 -12.506 9.729 340 H ALA 41 HN ALA 41 -10.871 -9.623 6.843 341 HA ALA 41 HA ALA 41 -10.646 -11.329 4.608 342 1HB ALA 41 HB1 ALA 41 -12.196 -9.553 3.605 343 2HB ALA 41 HB2 ALA 41 -11.905 -8.620 5.072 344 3HB ALA 41 HB3 ALA 41 -12.691 -10.195 5.172 345 H ALA 42 HN ALA 42 -9.893 -7.837 4.713 346 HA ALA 42 HA ALA 42 -8.820 -7.388 2.218 347 1HB ALA 42 HB1 ALA 42 -9.027 -5.745 4.058 348 2HB ALA 42 HB2 ALA 42 -7.410 -5.702 3.354 349 3HB ALA 42 HB3 ALA 42 -7.680 -6.520 4.893 350 H VAL 43 HN VAL 43 -6.718 -8.278 4.969 351 HA VAL 43 HA VAL 43 -4.369 -8.872 3.627 352 HB VAL 43 HB VAL 43 -5.791 -10.017 6.012 353 1HG1 VAL 43 HG11 VAL 43 -3.539 -11.265 4.565 354 2HG1 VAL 43 HG12 VAL 43 -4.664 -11.974 5.722 355 3HG1 VAL 43 HG13 VAL 43 -3.278 -11.046 6.295 356 1HG2 VAL 43 HG21 VAL 43 -4.066 -8.881 7.225 357 2HG2 VAL 43 HG22 VAL 43 -4.583 -7.773 5.955 358 3HG2 VAL 43 HG23 VAL 43 -3.085 -8.686 5.773 359 H GLU 44 HN GLU 44 -7.275 -10.887 3.865 360 HA GLU 44 HA GLU 44 -6.183 -13.223 2.566 361 1HB GLU 44 HB2 GLU 44 -8.592 -12.322 3.765 362 2HB GLU 44 HB1 GLU 44 -9.014 -12.819 2.127 363 1HG GLU 44 HG2 GLU 44 -9.136 -14.680 3.816 364 2HG GLU 44 HG1 GLU 44 -8.040 -15.009 2.473 365 H GLN 45 HN GLN 45 -8.138 -10.481 1.400 366 HA GLN 45 HA GLN 45 -8.132 -11.282 -1.373 367 1HB GLN 45 HB2 GLN 45 -9.186 -9.237 0.323 368 2HB GLN 45 HB1 GLN 45 -8.370 -8.446 -1.026 369 1HG GLN 45 HG2 GLN 45 -10.523 -8.810 -1.882 370 2HG GLN 45 HG1 GLN 45 -9.629 -10.201 -2.495 371 1HE2 GLN 45 HE21 GLN 45 -11.146 -9.467 0.705 372 2HE2 GLN 45 HE22 GLN 45 -12.029 -10.915 0.777 373 H LEU 46 HN LEU 46 -6.111 -9.096 0.573 374 HA LEU 46 HA LEU 46 -4.455 -8.239 -1.655 375 1HB LEU 46 HB2 LEU 46 -4.952 -7.247 0.755 376 2HB LEU 46 HB1 LEU 46 -3.561 -8.232 1.209 377 HG LEU 46 HG LEU 46 -2.952 -6.856 -1.234 378 1HD1 LEU 46 HD11 LEU 46 -3.611 -4.711 -0.921 379 2HD1 LEU 46 HD12 LEU 46 -3.243 -4.759 0.802 380 3HD1 LEU 46 HD13 LEU 46 -4.785 -5.379 0.212 381 1HD2 LEU 46 HD21 LEU 46 -1.421 -7.736 0.596 382 2HD2 LEU 46 HD22 LEU 46 -1.897 -6.337 1.559 383 3HD2 LEU 46 HD23 LEU 46 -1.046 -6.108 0.031 384 H LYS 47 HN LYS 47 -4.181 -10.674 0.907 385 HA LYS 47 HA LYS 47 -1.592 -11.628 0.638 386 1HB LYS 47 HB2 LYS 47 -3.030 -12.617 2.234 387 2HB LYS 47 HB1 LYS 47 -4.281 -12.937 1.033 388 1HG LYS 47 HG2 LYS 47 -3.330 -14.896 0.380 389 2HG LYS 47 HG1 LYS 47 -1.695 -14.246 0.489 390 1HD LYS 47 HD2 LYS 47 -2.289 -16.078 2.172 391 2HD LYS 47 HD1 LYS 47 -1.602 -14.599 2.845 392 1HE LYS 47 HE2 LYS 47 -3.588 -13.972 3.846 393 2HE LYS 47 HE1 LYS 47 -4.579 -14.716 2.575 394 1HZ LYS 47 HZ1 LYS 47 -4.818 -16.329 4.122 395 2HZ LYS 47 HZ2 LYS 47 -3.385 -15.927 4.940 396 3HZ LYS 47 HZ3 LYS 47 -3.324 -16.853 3.517 397 H SER 48 HN SER 48 -4.389 -12.592 -1.352 398 HA SER 48 HA SER 48 -2.875 -14.227 -3.200 399 1HB SER 48 HB2 SER 48 -5.579 -13.391 -2.665 400 2HB SER 48 HB1 SER 48 -5.250 -13.188 -4.383 401 HG SER 48 HG SER 48 -4.688 -15.326 -4.514 402 H ILE 49 HN ILE 49 -3.687 -10.793 -3.038 403 HA ILE 49 HA ILE 49 -3.220 -10.028 -5.712 404 HB ILE 49 HB ILE 49 -3.565 -8.854 -3.145 405 1HG1 ILE 49 HG12 ILE 49 -4.815 -8.406 -5.261 406 2HG1 ILE 49 HG11 ILE 49 -4.285 -6.930 -4.452 407 1HG2 ILE 49 HG21 ILE 49 -2.061 -6.811 -3.508 408 2HG2 ILE 49 HG22 ILE 49 -1.136 -7.820 -4.619 409 3HG2 ILE 49 HG23 ILE 49 -1.264 -8.269 -2.919 410 1HD1 ILE 49 HD11 ILE 49 -3.674 -7.796 -7.104 411 2HD1 ILE 49 HD12 ILE 49 -2.176 -7.799 -6.173 412 3HD1 ILE 49 HD13 ILE 49 -3.139 -6.326 -6.289 413 H ARG 50 HN ARG 50 -0.832 -10.069 -3.050 414 HA ARG 50 HA ARG 50 1.484 -9.499 -4.560 415 1HB ARG 50 HB2 ARG 50 1.640 -9.560 -2.195 416 2HB ARG 50 HB1 ARG 50 0.868 -11.143 -2.101 417 1HG ARG 50 HG2 ARG 50 3.352 -11.111 -3.686 418 2HG ARG 50 HG1 ARG 50 3.579 -10.729 -1.979 419 1HD ARG 50 HD2 ARG 50 1.930 -13.111 -2.864 420 2HD ARG 50 HD1 ARG 50 3.680 -13.225 -2.587 421 HE ARG 50 HE ARG 50 2.181 -11.921 -0.420 422 1HH1 ARG 50 HH11 ARG 50 1.364 -14.877 -0.961 423 2HH1 ARG 50 HH12 ARG 50 2.357 -15.681 0.208 424 1HH2 ARG 50 HH21 ARG 50 4.386 -12.926 0.771 425 2HH2 ARG 50 HH22 ARG 50 4.069 -14.577 1.187 426 H GLU 51 HN GLU 51 -0.024 -12.630 -3.811 427 HA GLU 51 HA GLU 51 1.744 -14.331 -5.268 428 1HB GLU 51 HB2 GLU 51 0.255 -15.363 -3.799 429 2HB GLU 51 HB1 GLU 51 -1.077 -14.319 -4.245 430 1HG GLU 51 HG2 GLU 51 -1.223 -16.760 -5.014 431 2HG GLU 51 HG1 GLU 51 -1.497 -15.523 -6.240 432 H ASP 52 HN ASP 52 -1.429 -13.036 -6.182 433 HA ASP 52 HA ASP 52 -1.460 -13.866 -8.897 434 1HB ASP 52 HB2 ASP 52 -3.281 -12.802 -7.416 435 2HB ASP 52 HB1 ASP 52 -2.552 -11.249 -7.826 436 H ILE 53 HN ILE 53 -0.441 -10.708 -7.533 437 HA ILE 53 HA ILE 53 0.585 -9.615 -9.966 438 HB ILE 53 HB ILE 53 1.160 -9.202 -7.022 439 1HG1 ILE 53 HG12 ILE 53 -0.439 -7.731 -9.135 440 2HG1 ILE 53 HG11 ILE 53 -1.043 -8.484 -7.658 441 1HG2 ILE 53 HG21 ILE 53 2.172 -7.592 -9.387 442 2HG2 ILE 53 HG22 ILE 53 3.163 -8.555 -8.291 443 3HG2 ILE 53 HG23 ILE 53 2.329 -7.119 -7.696 444 1HD1 ILE 53 HD11 ILE 53 0.246 -6.862 -6.309 445 2HD1 ILE 53 HD12 ILE 53 -0.890 -6.043 -7.381 446 3HD1 ILE 53 HD13 ILE 53 0.825 -6.099 -7.790 447 H VAL 54 HN VAL 54 1.825 -11.929 -7.686 448 HA VAL 54 HA VAL 54 4.616 -11.778 -8.303 449 HB VAL 54 HB VAL 54 2.728 -13.360 -6.788 450 1HG1 VAL 54 HG11 VAL 54 3.880 -15.536 -6.852 451 2HG1 VAL 54 HG12 VAL 54 4.916 -14.951 -8.154 452 3HG1 VAL 54 HG13 VAL 54 3.185 -15.148 -8.425 453 1HG2 VAL 54 HG21 VAL 54 4.374 -12.267 -5.571 454 2HG2 VAL 54 HG22 VAL 54 5.653 -12.725 -6.696 455 3HG2 VAL 54 HG23 VAL 54 4.977 -13.924 -5.592 456 H SER 55 HN SER 55 1.988 -13.796 -9.630 457 HA SER 55 HA SER 55 3.808 -14.830 -11.733 458 1HB SER 55 HB2 SER 55 0.974 -15.436 -10.863 459 2HB SER 55 HB1 SER 55 1.789 -16.270 -12.179 460 HG SER 55 HG SER 55 2.212 -17.484 -10.418 461 H GLY 56 HN GLY 56 2.648 -15.053 -13.941 462 1HA GLY 56 HA2 GLY 56 2.135 -13.838 -15.892 463 2HA GLY 56 HA1 GLY 56 0.632 -13.571 -15.013 464 H LYS 57 HN LYS 57 3.889 -12.350 -14.344 465 HA LYS 57 HA LYS 57 4.220 -10.083 -13.444 466 1HB LYS 57 HB2 LYS 57 5.619 -10.622 -15.240 467 2HB LYS 57 HB1 LYS 57 4.295 -10.600 -16.393 468 1HG LYS 57 HG2 LYS 57 4.546 -8.011 -15.117 469 2HG LYS 57 HG1 LYS 57 6.088 -8.498 -15.817 470 1HD LYS 57 HD2 LYS 57 4.897 -9.025 -17.956 471 2HD LYS 57 HD1 LYS 57 3.423 -8.360 -17.253 472 1HE LYS 57 HE2 LYS 57 4.287 -6.486 -18.373 473 2HE LYS 57 HE1 LYS 57 4.987 -6.269 -16.757 474 1HZ LYS 57 HZ1 LYS 57 6.464 -6.405 -18.970 475 2HZ LYS 57 HZ2 LYS 57 6.432 -8.048 -18.541 476 3HZ LYS 57 HZ3 LYS 57 7.025 -6.892 -17.445 477 H ALA 58 HN ALA 58 1.595 -10.070 -12.988 478 HA ALA 58 HA ALA 58 -0.213 -8.654 -14.583 479 1HB ALA 58 HB1 ALA 58 -0.902 -7.871 -12.112 480 2HB ALA 58 HB2 ALA 58 0.307 -9.081 -11.685 481 3HB ALA 58 HB3 ALA 58 -1.095 -9.540 -12.648 482 H ASN 59 HN ASN 59 -1.022 -6.327 -13.979 483 HA ASN 59 HA ASN 59 1.193 -4.461 -14.449 484 1HB ASN 59 HB2 ASN 59 -1.758 -3.938 -13.997 485 2HB ASN 59 HB1 ASN 59 -0.614 -2.916 -14.864 486 1HD2 ASN 59 HD21 ASN 59 0.540 -4.204 -16.778 487 2HD2 ASN 59 HD22 ASN 59 -0.492 -5.164 -17.723 488 H PHE 60 HN PHE 60 -0.185 -2.251 -13.035 489 HA PHE 60 HA PHE 60 -0.368 -2.793 -10.215 490 1HB PHE 60 HB2 PHE 60 2.039 -3.327 -10.704 491 2HB PHE 60 HB1 PHE 60 2.262 -1.648 -11.198 492 HD1 PHE 60 HD1 PHE 60 1.631 0.191 -9.501 493 HD2 PHE 60 HD2 PHE 60 2.202 -3.930 -8.429 494 HE1 PHE 60 HE1 PHE 60 1.951 0.852 -7.133 495 HE2 PHE 60 HE2 PHE 60 2.520 -3.268 -6.059 496 HZ PHE 60 HZ PHE 60 2.395 -0.877 -5.412 497 H GLU 61 HN GLU 61 0.820 -0.357 -12.533 498 HA GLU 61 HA GLU 61 0.219 1.971 -11.059 499 1HB GLU 61 HB2 GLU 61 -0.095 2.901 -13.502 500 2HB GLU 61 HB1 GLU 61 1.476 2.285 -13.000 501 1HG GLU 61 HG2 GLU 61 -0.280 0.189 -14.059 502 2HG GLU 61 HG1 GLU 61 0.065 1.456 -15.237 503 H GLU 62 HN GLU 62 -1.785 1.547 -13.928 504 HA GLU 62 HA GLU 62 -4.064 2.838 -13.134 505 1HB GLU 62 HB2 GLU 62 -3.297 0.854 -15.055 506 2HB GLU 62 HB1 GLU 62 -4.886 0.418 -14.423 507 1HG GLU 62 HG2 GLU 62 -4.530 3.292 -15.016 508 2HG GLU 62 HG1 GLU 62 -4.497 2.230 -16.425 509 H VAL 63 HN VAL 63 -3.101 -0.421 -12.102 510 HA VAL 63 HA VAL 63 -5.546 -1.194 -10.846 511 HB VAL 63 HB VAL 63 -2.637 -1.777 -10.200 512 1HG1 VAL 63 HG11 VAL 63 -5.210 -3.082 -9.282 513 2HG1 VAL 63 HG12 VAL 63 -3.935 -2.394 -8.277 514 3HG1 VAL 63 HG13 VAL 63 -3.641 -3.881 -9.180 515 1HG2 VAL 63 HG21 VAL 63 -2.774 -2.831 -12.205 516 2HG2 VAL 63 HG22 VAL 63 -4.530 -2.678 -12.257 517 3HG2 VAL 63 HG23 VAL 63 -3.786 -4.007 -11.368 518 H ALA 64 HN ALA 64 -2.751 0.653 -9.674 519 HA ALA 64 HA ALA 64 -3.616 0.973 -6.957 520 1HB ALA 64 HB1 ALA 64 -1.946 2.816 -7.012 521 2HB ALA 64 HB2 ALA 64 -1.913 2.716 -8.773 522 3HB ALA 64 HB3 ALA 64 -1.329 1.364 -7.801 523 H THR 65 HN THR 65 -3.774 3.286 -9.691 524 HA THR 65 HA THR 65 -5.192 5.376 -8.588 525 HB THR 65 HB THR 65 -6.353 4.679 -11.130 526 HG1 THR 65 HG1 THR 65 -4.679 3.211 -11.337 527 1HG2 THR 65 HG21 THR 65 -4.265 6.641 -10.179 528 2HG2 THR 65 HG22 THR 65 -5.956 6.959 -10.567 529 3HG2 THR 65 HG23 THR 65 -4.812 6.581 -11.855 530 H ARG 66 HN ARG 66 -6.488 2.197 -9.489 531 HA ARG 66 HA ARG 66 -9.257 2.997 -8.845 532 1HB ARG 66 HB2 ARG 66 -8.229 1.319 -10.646 533 2HB ARG 66 HB1 ARG 66 -8.370 0.176 -9.310 534 1HG ARG 66 HG2 ARG 66 -10.786 1.025 -9.059 535 2HG ARG 66 HG1 ARG 66 -10.567 1.757 -10.649 536 1HD ARG 66 HD2 ARG 66 -9.844 -1.138 -10.277 537 2HD ARG 66 HD1 ARG 66 -11.547 -0.686 -10.487 538 HE ARG 66 HE ARG 66 -9.394 0.062 -12.432 539 1HH1 ARG 66 HH11 ARG 66 -11.875 -2.049 -12.293 540 2HH1 ARG 66 HH12 ARG 66 -12.810 -1.381 -13.589 541 1HH2 ARG 66 HH21 ARG 66 -10.927 1.523 -13.803 542 2HH2 ARG 66 HH22 ARG 66 -12.272 0.641 -14.445 543 H VAL 67 HN VAL 67 -6.996 0.497 -7.679 544 HA VAL 67 HA VAL 67 -8.504 0.273 -5.129 545 HB VAL 67 HB VAL 67 -7.795 -1.699 -6.536 546 1HG1 VAL 67 HG11 VAL 67 -5.306 -0.276 -6.442 547 2HG1 VAL 67 HG12 VAL 67 -5.698 -1.736 -7.349 548 3HG1 VAL 67 HG13 VAL 67 -5.077 -1.860 -5.703 549 1HG2 VAL 67 HG21 VAL 67 -6.199 -2.012 -4.056 550 2HG2 VAL 67 HG22 VAL 67 -7.532 -2.992 -4.668 551 3HG2 VAL 67 HG23 VAL 67 -7.864 -1.478 -3.826 552 H SER 68 HN SER 68 -7.554 2.645 -4.842 553 HA SER 68 HA SER 68 -4.900 2.402 -3.451 554 1HB SER 68 HB2 SER 68 -4.836 4.906 -4.329 555 2HB SER 68 HB1 SER 68 -4.408 3.573 -5.398 556 HG SER 68 HG SER 68 -7.069 4.471 -5.135 557 H ASP 69 HN ASP 69 -4.562 4.379 -1.962 558 HA ASP 69 HA ASP 69 -6.762 4.587 -0.078 559 1HB ASP 69 HB2 ASP 69 -4.374 4.589 0.548 560 2HB ASP 69 HB1 ASP 69 -4.143 6.089 -0.351 561 H CYS 70 HN CYS 70 -8.193 5.428 -1.980 562 HA CYS 70 HA CYS 70 -9.290 7.210 -3.042 563 1HB CYS 70 HB2 CYS 70 -9.992 7.497 -0.740 564 2HB CYS 70 HB1 CYS 70 -8.484 8.321 -0.340 565 HG CYS 70 HG CYS 70 -9.338 10.436 -1.362 566 H SER 71 HN SER 71 -7.257 9.443 -1.245 567 HA SER 71 HA SER 71 -6.491 11.122 -3.327 568 1HB SER 71 HB2 SER 71 -6.048 11.364 -0.871 569 2HB SER 71 HB1 SER 71 -4.797 10.141 -1.006 570 HG SER 71 HG SER 71 -4.732 12.325 -2.752 571 H SER 72 HN SER 72 -4.827 8.218 -2.154 572 HA SER 72 HA SER 72 -2.657 8.112 -3.949 573 1HB SER 72 HB2 SER 72 -4.367 6.141 -2.476 574 2HB SER 72 HB1 SER 72 -3.217 5.519 -3.656 575 HG SER 72 HG SER 72 -1.686 6.994 -2.500 576 H ALA 73 HN ALA 73 -6.067 7.175 -4.443 577 HA ALA 73 HA ALA 73 -5.869 5.895 -6.950 578 1HB ALA 73 HB1 ALA 73 -7.934 8.014 -6.358 579 2HB ALA 73 HB2 ALA 73 -7.905 6.518 -5.425 580 3HB ALA 73 HB3 ALA 73 -8.156 6.465 -7.170 581 H LYS 74 HN LYS 74 -5.635 9.287 -6.054 582 HA LYS 74 HA LYS 74 -5.357 10.250 -8.821 583 1HB LYS 74 HB2 LYS 74 -6.247 11.539 -6.811 584 2HB LYS 74 HB1 LYS 74 -4.598 11.560 -6.185 585 1HG LYS 74 HG2 LYS 74 -3.853 12.668 -8.297 586 2HG LYS 74 HG1 LYS 74 -5.538 12.747 -8.812 587 1HD LYS 74 HD2 LYS 74 -5.357 14.821 -7.810 588 2HD LYS 74 HD1 LYS 74 -5.835 13.864 -6.407 589 1HE LYS 74 HE2 LYS 74 -3.949 14.781 -5.468 590 2HE LYS 74 HE1 LYS 74 -3.112 13.513 -6.385 591 1HZ LYS 74 HZ1 LYS 74 -2.101 15.434 -7.152 592 2HZ LYS 74 HZ2 LYS 74 -3.537 16.342 -7.106 593 3HZ LYS 74 HZ3 LYS 74 -3.304 15.177 -8.321 594 H ARG 75 HN ARG 75 -3.336 9.213 -6.161 595 HA ARG 75 HA ARG 75 -0.859 9.550 -7.825 596 1HB ARG 75 HB2 ARG 75 -1.419 10.811 -5.532 597 2HB ARG 75 HB1 ARG 75 -0.862 9.289 -4.836 598 1HG ARG 75 HG2 ARG 75 1.289 9.761 -5.307 599 2HG ARG 75 HG1 ARG 75 0.891 10.201 -6.965 600 1HD ARG 75 HD2 ARG 75 -0.136 12.241 -5.221 601 2HD ARG 75 HD1 ARG 75 1.574 11.964 -4.837 602 HE ARG 75 HE ARG 75 1.270 11.975 -7.677 603 1HH1 ARG 75 HH11 ARG 75 1.681 13.910 -4.879 604 2HH1 ARG 75 HH12 ARG 75 1.901 15.387 -5.757 605 1HH2 ARG 75 HH21 ARG 75 1.308 13.949 -8.854 606 2HH2 ARG 75 HH22 ARG 75 1.690 15.409 -8.003 607 H GLY 76 HN GLY 76 -2.204 7.274 -8.368 608 1HA GLY 76 HA2 GLY 76 -1.734 5.101 -6.518 609 2HA GLY 76 HA1 GLY 76 -2.266 4.933 -8.192 610 H GLY 77 HN GLY 77 0.373 6.826 -8.409 611 1HA GLY 77 HA2 GLY 77 2.011 4.724 -9.493 612 2HA GLY 77 HA1 GLY 77 2.538 6.382 -9.202 613 H ASP 78 HN ASP 78 3.796 6.798 -7.434 614 HA ASP 78 HA ASP 78 3.995 4.716 -5.320 615 1HB ASP 78 HB2 ASP 78 6.387 4.530 -5.659 616 2HB ASP 78 HB1 ASP 78 5.614 4.316 -7.231 617 H LEU 79 HN LEU 79 5.498 5.511 -3.545 618 HA LEU 79 HA LEU 79 4.738 8.188 -2.695 619 1HB LEU 79 HB2 LEU 79 6.949 6.537 -1.478 620 2HB LEU 79 HB1 LEU 79 5.747 7.533 -0.664 621 HG LEU 79 HG LEU 79 4.153 5.665 -1.891 622 1HD1 LEU 79 HD11 LEU 79 5.676 3.598 -0.844 623 2HD1 LEU 79 HD12 LEU 79 6.872 4.579 -1.685 624 3HD1 LEU 79 HD13 LEU 79 5.476 3.944 -2.559 625 1HD2 LEU 79 HD21 LEU 79 5.061 6.331 0.755 626 2HD2 LEU 79 HD22 LEU 79 4.941 4.577 0.622 627 3HD2 LEU 79 HD23 LEU 79 3.535 5.585 0.279 628 H GLY 80 HN GLY 80 7.736 6.587 -3.666 629 1HA GLY 80 HA2 GLY 80 9.329 7.715 -5.161 630 2HA GLY 80 HA1 GLY 80 8.910 9.231 -4.367 631 H SER 81 HN SER 81 9.399 9.355 -2.015 632 HA SER 81 HA SER 81 11.447 7.497 -1.012 633 1HB SER 81 HB2 SER 81 13.252 8.917 -1.202 634 2HB SER 81 HB1 SER 81 12.349 9.354 -2.647 635 HG SER 81 HG SER 81 11.626 11.162 -1.660 636 H PHE 82 HN PHE 82 11.444 7.453 1.176 637 HA PHE 82 HA PHE 82 10.531 9.760 2.774 638 1HB PHE 82 HB2 PHE 82 8.794 8.180 3.848 639 2HB PHE 82 HB1 PHE 82 8.418 8.773 2.232 640 HD1 PHE 82 HD1 PHE 82 8.953 7.303 0.228 641 HD2 PHE 82 HD2 PHE 82 9.086 5.872 4.274 642 HE1 PHE 82 HE1 PHE 82 8.856 4.965 -0.596 643 HE2 PHE 82 HE2 PHE 82 8.989 3.539 3.454 644 HZ PHE 82 HZ PHE 82 8.874 3.082 1.016 645 H GLY 83 HN GLY 83 10.096 8.043 5.139 646 1HA GLY 83 HA2 GLY 83 11.773 6.090 5.857 647 2HA GLY 83 HA1 GLY 83 12.936 7.399 5.651 648 H ARG 84 HN ARG 84 10.929 5.890 7.848 649 HA ARG 84 HA ARG 84 10.428 6.371 10.104 650 1HB ARG 84 HB2 ARG 84 12.178 8.808 9.787 651 2HB ARG 84 HB1 ARG 84 11.995 7.762 11.193 652 1HG ARG 84 HG2 ARG 84 13.415 7.107 8.596 653 2HG ARG 84 HG1 ARG 84 14.132 7.257 10.197 654 1HD ARG 84 HD2 ARG 84 12.152 5.122 9.318 655 2HD ARG 84 HD1 ARG 84 13.869 4.883 9.695 656 HE ARG 84 HE ARG 84 11.735 5.400 11.664 657 1HH1 ARG 84 HH21 ARG 84 14.201 7.191 12.061 658 2HH1 ARG 84 HH22 ARG 84 15.112 6.239 13.185 659 1HH2 ARG 84 HH11 ARG 84 13.295 3.343 12.619 660 2HH2 ARG 84 HH12 ARG 84 14.599 4.065 13.502 661 H GLY 85 HN GLY 85 8.649 7.390 10.973 662 1HA GLY 85 HA2 GLY 85 6.965 8.996 11.296 663 2HA GLY 85 HA1 GLY 85 8.010 10.167 10.498 664 H GLN 86 HN GLN 86 8.254 9.547 8.014 665 HA GLN 86 HA GLN 86 6.051 10.219 6.545 666 1HB GLN 86 HB2 GLN 86 8.353 8.363 6.101 667 2HB GLN 86 HB1 GLN 86 7.079 8.386 4.889 668 1HG GLN 86 HG2 GLN 86 8.658 10.782 5.848 669 2HG GLN 86 HG1 GLN 86 8.800 9.981 4.283 670 1HE2 GLN 86 HE21 GLN 86 7.917 12.816 4.897 671 2HE2 GLN 86 HE22 GLN 86 6.383 12.960 4.186 672 H MET 87 HN MET 87 6.946 6.840 6.403 673 HA MET 87 HA MET 87 4.097 6.050 6.257 674 1HB MET 87 HB2 MET 87 6.658 5.372 5.115 675 2HB MET 87 HB1 MET 87 5.915 3.925 5.804 676 1HG MET 87 HG2 MET 87 5.285 4.411 3.387 677 2HG MET 87 HG1 MET 87 3.921 4.221 4.488 678 1HE MET 87 HE1 MET 87 5.747 8.274 3.352 679 2HE MET 87 HE2 MET 87 6.037 6.882 2.312 680 3HE MET 87 HE3 MET 87 6.558 6.839 3.994 681 H GLN 88 HN GLN 88 4.962 6.769 8.858 682 HA GLN 88 HA GLN 88 5.247 5.926 11.058 683 1HB GLN 88 HB2 GLN 88 3.333 3.998 9.712 684 2HB GLN 88 HB1 GLN 88 3.495 4.198 11.457 685 1HG GLN 88 HG2 GLN 88 2.780 6.500 11.331 686 2HG GLN 88 HG1 GLN 88 2.823 6.468 9.568 687 1HE2 GLN 88 HE21 GLN 88 0.407 7.191 10.709 688 2HE2 GLN 88 HE22 GLN 88 -0.722 5.932 10.563 689 H LYS 89 HN LYS 89 5.062 3.257 11.978 690 HA LYS 89 HA LYS 89 7.748 2.279 11.270 691 1HB LYS 89 HB2 LYS 89 6.658 2.602 13.594 692 2HB LYS 89 HB1 LYS 89 5.821 1.086 13.254 693 1HG LYS 89 HG2 LYS 89 8.141 0.124 12.699 694 2HG LYS 89 HG1 LYS 89 8.795 1.565 13.479 695 1HD LYS 89 HD2 LYS 89 6.683 0.096 14.972 696 2HD LYS 89 HD1 LYS 89 8.252 -0.699 14.842 697 1HE LYS 89 HE2 LYS 89 9.353 0.982 16.037 698 2HE LYS 89 HE1 LYS 89 8.131 2.204 15.632 699 1HZ LYS 89 HZ1 LYS 89 7.242 -0.175 17.078 700 2HZ LYS 89 HZ2 LYS 89 6.687 1.428 17.184 701 3HZ LYS 89 HZ3 LYS 89 8.130 0.971 17.956 702 HA PRO 90 HA PRO 90 5.004 -1.524 10.154 703 1HB PRO 90 HB2 PRO 90 2.603 -0.952 8.971 704 2HB PRO 90 HB1 PRO 90 2.785 -1.241 10.713 705 1HG PRO 90 HG2 PRO 90 2.537 1.326 9.237 706 2HG PRO 90 HG1 PRO 90 1.861 0.854 10.803 707 1HD PRO 90 HD2 PRO 90 4.053 2.430 10.513 708 2HD PRO 90 HD1 PRO 90 3.772 1.406 11.935 709 H PHE 91 HN PHE 91 3.805 1.038 7.902 710 HA PHE 91 HA PHE 91 4.464 -0.325 5.537 711 1HB PHE 91 HB2 PHE 91 3.154 1.753 5.598 712 2HB PHE 91 HB1 PHE 91 4.580 2.655 6.120 713 HD1 PHE 91 HD1 PHE 91 6.720 2.371 4.579 714 HD2 PHE 91 HD2 PHE 91 2.696 1.612 3.292 715 HE1 PHE 91 HE1 PHE 91 7.447 2.534 2.241 716 HE2 PHE 91 HE2 PHE 91 3.434 1.811 0.926 717 HZ PHE 91 HZ PHE 91 5.808 2.268 0.406 718 H GLU 92 HN GLU 92 6.473 2.235 7.035 719 HA GLU 92 HA GLU 92 8.756 2.046 5.485 720 1HB GLU 92 HB2 GLU 92 8.010 2.964 8.089 721 2HB GLU 92 HB1 GLU 92 9.555 2.127 8.238 722 1HG GLU 92 HG2 GLU 92 10.523 4.017 7.471 723 2HG GLU 92 HG1 GLU 92 9.826 3.624 5.900 724 H GLU 93 HN GLU 93 8.235 0.144 8.456 725 HA GLU 93 HA GLU 93 10.401 -1.616 8.295 726 1HB GLU 93 HB2 GLU 93 8.968 -1.635 10.196 727 2HB GLU 93 HB1 GLU 93 7.527 -1.856 9.207 728 1HG GLU 93 HG2 GLU 93 9.091 -4.076 8.592 729 2HG GLU 93 HG1 GLU 93 9.335 -3.860 10.322 730 H ALA 94 HN ALA 94 7.442 -1.536 6.400 731 HA ALA 94 HA ALA 94 7.611 -4.155 5.227 732 1HB ALA 94 HB1 ALA 94 6.511 -1.770 3.779 733 2HB ALA 94 HB2 ALA 94 5.764 -2.238 5.306 734 3HB ALA 94 HB3 ALA 94 5.811 -3.378 3.961 735 H THR 95 HN THR 95 8.369 -0.985 3.755 736 HA THR 95 HA THR 95 9.798 -2.130 1.534 737 HB THR 95 HB THR 95 9.955 0.641 2.771 738 HG1 THR 95 HG1 THR 95 7.836 -0.354 2.073 739 1HG2 THR 95 HG21 THR 95 10.488 1.294 0.410 740 2HG2 THR 95 HG22 THR 95 10.579 -0.420 0.003 741 3HG2 THR 95 HG23 THR 95 11.722 0.275 1.152 742 H TYR 96 HN TYR 96 10.671 -1.192 4.793 743 HA TYR 96 HA TYR 96 13.563 -1.207 4.346 744 1HB TYR 96 HB2 TYR 96 11.608 -0.906 6.572 745 2HB TYR 96 HB1 TYR 96 13.211 -1.480 7.024 746 HD1 TYR 96 HD1 TYR 96 11.237 1.386 6.260 747 HD2 TYR 96 HD2 TYR 96 15.242 -0.152 6.055 748 HE1 TYR 96 HE1 TYR 96 12.117 3.698 6.089 749 HE2 TYR 96 HE2 TYR 96 16.120 2.161 5.883 750 HH TYR 96 HH TYR 96 15.375 4.365 5.231 751 H ALA 97 HN ALA 97 11.069 -3.519 5.139 752 HA ALA 97 HA ALA 97 12.956 -5.586 6.071 753 1HB ALA 97 HB1 ALA 97 10.798 -5.418 7.126 754 2HB ALA 97 HB2 ALA 97 10.757 -6.882 6.144 755 3HB ALA 97 HB3 ALA 97 9.972 -5.411 5.568 756 H LEU 98 HN LEU 98 10.830 -5.011 3.253 757 HA LEU 98 HA LEU 98 11.789 -7.445 1.902 758 1HB LEU 98 HB2 LEU 98 9.450 -6.238 1.893 759 2HB LEU 98 HB1 LEU 98 10.186 -5.233 0.644 760 HG LEU 98 HG LEU 98 10.853 -7.927 0.038 761 1HD1 LEU 98 HD11 LEU 98 8.232 -8.454 -0.362 762 2HD1 LEU 98 HD12 LEU 98 8.120 -7.545 1.143 763 3HD1 LEU 98 HD13 LEU 98 9.108 -9.003 1.065 764 1HD2 LEU 98 HD21 LEU 98 9.053 -7.302 -1.837 765 2HD2 LEU 98 HD22 LEU 98 10.639 -6.532 -1.795 766 3HD2 LEU 98 HD23 LEU 98 9.236 -5.698 -1.127 767 H LYS 99 HN LYS 99 13.428 -7.497 0.413 768 HA LYS 99 HA LYS 99 14.692 -4.893 -0.366 769 1HB LYS 99 HB2 LYS 99 16.659 -6.469 -0.817 770 2HB LYS 99 HB1 LYS 99 16.169 -6.332 0.872 771 1HG LYS 99 HG2 LYS 99 15.351 -8.470 0.952 772 2HG LYS 99 HG1 LYS 99 14.802 -8.433 -0.724 773 1HD LYS 99 HD2 LYS 99 17.003 -8.833 -1.557 774 2HD LYS 99 HD1 LYS 99 17.732 -8.517 0.018 775 1HE LYS 99 HE2 LYS 99 15.757 -10.613 0.279 776 2HE LYS 99 HE1 LYS 99 16.924 -11.032 -0.992 777 1HZ LYS 99 HZ1 LYS 99 18.597 -10.027 0.731 778 2HZ LYS 99 HZ2 LYS 99 18.100 -11.646 0.857 779 3HZ LYS 99 HZ3 LYS 99 17.397 -10.459 1.848 780 H VAL 100 HN VAL 100 12.733 -4.999 -1.985 781 HA VAL 100 HA VAL 100 11.861 -5.536 -4.125 782 HB VAL 100 HB VAL 100 13.751 -3.933 -4.428 783 1HG1 VAL 100 HG11 VAL 100 15.645 -5.157 -3.674 784 2HG1 VAL 100 HG12 VAL 100 15.870 -4.996 -5.416 785 3HG1 VAL 100 HG13 VAL 100 15.287 -6.516 -4.740 786 1HG2 VAL 100 HG21 VAL 100 12.338 -4.882 -6.336 787 2HG2 VAL 100 HG22 VAL 100 13.690 -5.963 -6.672 788 3HG2 VAL 100 HG23 VAL 100 13.904 -4.218 -6.800 789 H GLY 101 HN GLY 101 12.722 -7.907 -2.473 790 1HA GLY 101 HA2 GLY 101 13.559 -9.774 -4.645 791 2HA GLY 101 HA1 GLY 101 13.658 -10.124 -2.917 792 H ASP 102 HN ASP 102 10.857 -8.705 -2.871 793 HA ASP 102 HA ASP 102 9.232 -10.968 -3.950 794 1HB ASP 102 HB2 ASP 102 9.210 -9.831 -1.131 795 2HB ASP 102 HB1 ASP 102 8.079 -11.044 -1.736 796 H ILE 103 HN ILE 103 6.913 -9.771 -2.404 797 HA ILE 103 HA ILE 103 6.609 -7.199 -3.909 798 HB ILE 103 HB ILE 103 4.693 -9.546 -3.716 799 1HG1 ILE 103 HG12 ILE 103 6.232 -8.297 -6.016 800 2HG1 ILE 103 HG11 ILE 103 6.466 -9.911 -5.345 801 1HG2 ILE 103 HG21 ILE 103 4.357 -6.705 -4.611 802 2HG2 ILE 103 HG22 ILE 103 3.227 -7.743 -3.742 803 3HG2 ILE 103 HG23 ILE 103 3.482 -7.971 -5.471 804 1HD1 ILE 103 HD11 ILE 103 4.727 -9.179 -7.445 805 2HD1 ILE 103 HD12 ILE 103 3.691 -9.531 -6.062 806 3HD1 ILE 103 HD13 ILE 103 4.827 -10.747 -6.645 807 H SER 104 HN SER 104 7.277 -7.145 -1.255 808 HA SER 104 HA SER 104 6.520 -6.606 0.937 809 1HB SER 104 HB2 SER 104 4.463 -4.999 -0.549 810 2HB SER 104 HB1 SER 104 5.478 -4.517 0.808 811 HG SER 104 HG SER 104 7.156 -4.243 -0.529 812 H ASP 105 HN ASP 105 5.544 -8.519 1.764 813 HA ASP 105 HA ASP 105 3.097 -9.692 1.084 814 1HB ASP 105 HB2 ASP 105 4.670 -9.356 3.629 815 2HB ASP 105 HB1 ASP 105 3.127 -10.210 3.662 816 H ILE 106 HN ILE 106 1.112 -9.618 2.683 817 HA ILE 106 HA ILE 106 -0.469 -7.419 2.362 818 HB ILE 106 HB ILE 106 -1.459 -8.098 4.644 819 1HG1 ILE 106 HG12 ILE 106 0.982 -9.873 4.485 820 2HG1 ILE 106 HG11 ILE 106 0.376 -8.951 5.855 821 1HG2 ILE 106 HG21 ILE 106 -2.179 -10.305 3.744 822 2HG2 ILE 106 HG22 ILE 106 -0.935 -10.178 2.501 823 3HG2 ILE 106 HG23 ILE 106 -2.267 -9.023 2.538 824 1HD1 ILE 106 HD11 ILE 106 -0.356 -11.648 4.940 825 2HD1 ILE 106 HD12 ILE 106 -1.741 -10.622 5.311 826 3HD1 ILE 106 HD13 ILE 106 -0.511 -10.922 6.539 827 H VAL 107 HN VAL 107 -0.405 -5.301 2.959 828 HA VAL 107 HA VAL 107 1.382 -4.513 5.241 829 HB VAL 107 HB VAL 107 0.594 -2.864 2.826 830 1HG1 VAL 107 HG11 VAL 107 2.348 -1.426 3.471 831 2HG1 VAL 107 HG12 VAL 107 3.093 -2.650 4.499 832 3HG1 VAL 107 HG13 VAL 107 1.595 -1.868 5.004 833 1HG2 VAL 107 HG21 VAL 107 2.856 -3.519 1.932 834 2HG2 VAL 107 HG22 VAL 107 1.703 -4.851 1.980 835 3HG2 VAL 107 HG23 VAL 107 2.957 -4.727 3.213 836 H ASP 108 HN ASP 108 -0.919 -5.066 6.293 837 HA ASP 108 HA ASP 108 -3.036 -3.099 5.937 838 1HB ASP 108 HB2 ASP 108 -3.909 -4.292 7.995 839 2HB ASP 108 HB1 ASP 108 -3.545 -5.345 6.627 840 H THR 109 HN THR 109 -2.100 -1.028 6.347 841 HA THR 109 HA THR 109 -1.953 -0.317 9.187 842 HB THR 109 HB THR 109 0.290 -1.012 9.037 843 HG1 THR 109 HG1 THR 109 0.027 1.244 9.612 844 1HG2 THR 109 HG21 THR 109 0.002 -0.178 6.197 845 2HG2 THR 109 HG22 THR 109 0.796 -1.597 6.879 846 3HG2 THR 109 HG23 THR 109 1.609 -0.032 6.908 847 H ASP 110 HN ASP 110 -0.106 1.712 7.108 848 HA ASP 110 HA ASP 110 -1.520 4.056 7.358 849 1HB ASP 110 HB2 ASP 110 0.625 3.287 5.987 850 2HB ASP 110 HB1 ASP 110 -0.512 3.293 4.638 851 H SER 111 HN SER 111 -3.779 4.050 7.289 852 HA SER 111 HA SER 111 -5.878 4.228 6.192 853 1HB SER 111 HB2 SER 111 -3.957 4.304 4.126 854 2HB SER 111 HB1 SER 111 -5.148 3.108 3.624 855 HG SER 111 HG SER 111 -6.629 4.943 4.513 856 H GLY 112 HN GLY 112 -3.968 1.347 5.316 857 1HA GLY 112 HA2 GLY 112 -5.397 -0.594 6.624 858 2HA GLY 112 HA1 GLY 112 -6.337 -0.340 5.151 859 H VAL 113 HN VAL 113 -5.751 -2.532 4.496 860 HA VAL 113 HA VAL 113 -3.155 -3.569 4.214 861 HB VAL 113 HB VAL 113 -4.241 -4.910 2.374 862 1HG1 VAL 113 HG11 VAL 113 -6.223 -4.705 4.602 863 2HG1 VAL 113 HG12 VAL 113 -4.556 -5.103 5.017 864 3HG1 VAL 113 HG13 VAL 113 -5.459 -6.136 3.910 865 1HG2 VAL 113 HG21 VAL 113 -6.663 -3.215 3.035 866 2HG2 VAL 113 HG22 VAL 113 -6.534 -4.467 1.801 867 3HG2 VAL 113 HG23 VAL 113 -5.659 -2.947 1.609 868 H HIS 114 HN HIS 114 -1.480 -3.186 2.849 869 HA HIS 114 HA HIS 114 -1.919 -1.455 0.444 870 1HB HIS 114 HB2 HIS 114 -0.376 -0.999 2.938 871 2HB HIS 114 HB1 HIS 114 0.460 -0.582 1.449 872 HD1 HIS 114 HD1 HIS 114 -0.939 1.081 -0.201 873 HD2 HIS 114 HD2 HIS 114 -2.167 0.919 3.777 874 HE1 HIS 114 HE1 HIS 114 -2.314 3.167 0.209 875 H ILE 115 HN ILE 115 0.061 -1.508 -0.985 876 HA ILE 115 HA ILE 115 1.692 -3.998 -0.649 877 HB ILE 115 HB ILE 115 1.144 -4.727 -2.774 878 1HG1 ILE 115 HG12 ILE 115 0.716 -1.828 -3.563 879 2HG1 ILE 115 HG11 ILE 115 2.117 -2.824 -3.952 880 1HG2 ILE 115 HG21 ILE 115 -1.185 -2.897 -2.134 881 2HG2 ILE 115 HG22 ILE 115 -1.005 -4.583 -1.651 882 3HG2 ILE 115 HG23 ILE 115 -1.221 -4.172 -3.352 883 1HD1 ILE 115 HD11 ILE 115 0.925 -4.156 -5.463 884 2HD1 ILE 115 HD12 ILE 115 0.222 -2.562 -5.739 885 3HD1 ILE 115 HD13 ILE 115 -0.633 -3.742 -4.747 886 H ILE 116 HN ILE 116 3.856 -3.752 -1.796 887 HA ILE 116 HA ILE 116 4.530 -0.913 -2.411 888 HB ILE 116 HB ILE 116 5.489 -2.642 -0.161 889 1HG1 ILE 116 HG12 ILE 116 5.496 0.208 0.257 890 2HG1 ILE 116 HG11 ILE 116 3.958 -0.289 -0.442 891 1HG2 ILE 116 HG21 ILE 116 7.087 -0.455 -1.522 892 2HG2 ILE 116 HG22 ILE 116 7.572 -2.134 -1.279 893 3HG2 ILE 116 HG23 ILE 116 7.431 -1.048 0.103 894 1HD1 ILE 116 HD11 ILE 116 3.577 -1.881 1.307 895 2HD1 ILE 116 HD12 ILE 116 4.080 -0.387 2.098 896 3HD1 ILE 116 HD13 ILE 116 5.228 -1.713 1.905 897 H LYS 117 HN LYS 117 6.649 -0.671 -3.403 898 HA LYS 117 HA LYS 117 8.001 -3.116 -4.401 899 1HB LYS 117 HB2 LYS 117 5.979 -2.140 -5.869 900 2HB LYS 117 HB1 LYS 117 7.247 -1.044 -6.423 901 1HG LYS 117 HG2 LYS 117 8.270 -2.667 -7.618 902 2HG LYS 117 HG1 LYS 117 8.145 -3.826 -6.294 903 1HD LYS 117 HD2 LYS 117 6.663 -4.867 -7.677 904 2HD LYS 117 HD1 LYS 117 5.537 -3.659 -7.060 905 1HE LYS 117 HE2 LYS 117 5.258 -3.212 -9.306 906 2HE LYS 117 HE1 LYS 117 6.715 -2.230 -9.058 907 1HZ LYS 117 HZ1 LYS 117 8.031 -3.755 -10.045 908 2HZ LYS 117 HZ2 LYS 117 6.592 -4.222 -10.821 909 3HZ LYS 117 HZ3 LYS 117 7.145 -5.077 -9.461 910 H ARG 118 HN ARG 118 10.202 -2.642 -5.003 911 HA ARG 118 HA ARG 118 11.118 0.155 -5.123 912 1HB ARG 118 HB2 ARG 118 10.759 -0.334 -2.706 913 2HB ARG 118 HB1 ARG 118 11.888 -1.682 -2.833 914 1HG ARG 118 HG2 ARG 118 13.588 0.028 -3.710 915 2HG ARG 118 HG1 ARG 118 12.469 1.267 -3.137 916 1HD ARG 118 HD2 ARG 118 12.605 0.419 -0.859 917 2HD ARG 118 HD1 ARG 118 13.590 -0.957 -1.394 918 HE ARG 118 HE ARG 118 14.522 1.815 -1.123 919 1HH1 ARG 118 HH21 ARG 118 15.904 -0.922 -0.564 920 2HH1 ARG 118 HH22 ARG 118 17.166 -0.866 -1.750 921 1HH2 ARG 118 HH11 ARG 118 15.733 1.743 -3.531 922 2HH2 ARG 118 HH12 ARG 118 17.067 0.644 -3.432 923 H THR 119 HN THR 119 13.483 0.253 -5.557 924 HA THR 119 HA THR 119 15.390 -0.483 -6.737 925 HB THR 119 HB THR 119 15.128 -3.253 -5.803 926 HG1 THR 119 HG1 THR 119 15.215 -2.619 -3.592 927 1HG2 THR 119 HG21 THR 119 17.145 -1.801 -4.443 928 2HG2 THR 119 HG22 THR 119 17.097 -1.180 -6.093 929 3HG2 THR 119 HG23 THR 119 17.345 -2.903 -5.805 930 H ALA 120 HN ALA 120 15.856 -3.171 -7.721 931 HA ALA 120 HA ALA 120 15.304 -4.580 -9.541 932 1HB ALA 120 HB1 ALA 120 12.859 -3.794 -8.289 933 2HB ALA 120 HB2 ALA 120 13.158 -5.225 -9.276 934 3HB ALA 120 HB3 ALA 120 12.610 -3.730 -10.034 Start of MODEL 5 1 1H HIS 1 HT1 HIS 1 28.488 16.451 6.977 2 2H HIS 1 HT2 HIS 1 29.936 15.563 6.932 3 3H HIS 1 HT3 HIS 1 29.494 16.404 8.341 4 HA HIS 1 HA HIS 1 28.505 13.843 7.315 5 1HB HIS 1 HB2 HIS 1 29.482 15.170 9.812 6 2HB HIS 1 HB1 HIS 1 28.401 13.787 9.988 7 HD1 HIS 1 HD1 HIS 1 31.892 14.611 9.489 8 HD2 HIS 1 HD2 HIS 1 29.425 11.427 8.413 9 HE1 HIS 1 HE1 HIS 1 33.426 12.683 8.898 10 H MET 2 HN MET 2 26.478 13.068 8.525 11 HA MET 2 HA MET 2 24.167 13.311 8.949 12 1HB MET 2 HB2 MET 2 25.212 14.642 10.803 13 2HB MET 2 HB1 MET 2 25.083 16.080 9.788 14 1HG MET 2 HG2 MET 2 22.550 14.697 9.849 15 2HG MET 2 HG1 MET 2 23.099 15.012 11.494 16 1HE MET 2 HE1 MET 2 20.661 17.499 9.165 17 2HE MET 2 HE2 MET 2 20.397 16.906 10.802 18 3HE MET 2 HE3 MET 2 20.846 15.777 9.526 19 H ALA 3 HN ALA 3 24.620 13.562 6.295 20 HA ALA 3 HA ALA 3 23.227 16.085 5.460 21 1HB ALA 3 HB1 ALA 3 25.050 14.177 3.959 22 2HB ALA 3 HB2 ALA 3 25.512 15.755 4.599 23 3HB ALA 3 HB3 ALA 3 24.343 15.645 3.283 24 H SER 4 HN SER 4 23.639 12.864 3.965 25 HA SER 4 HA SER 4 20.653 12.633 3.808 26 1HB SER 4 HB2 SER 4 22.754 12.196 1.664 27 2HB SER 4 HB1 SER 4 21.057 11.760 1.480 28 HG SER 4 HG SER 4 20.548 13.962 1.851 29 H ARG 5 HN ARG 5 20.342 10.203 2.740 30 HA ARG 5 HA ARG 5 22.201 8.302 4.091 31 1HB ARG 5 HB2 ARG 5 20.064 7.179 4.990 32 2HB ARG 5 HB1 ARG 5 20.545 8.688 5.763 33 1HG ARG 5 HG2 ARG 5 18.980 9.918 4.259 34 2HG ARG 5 HG1 ARG 5 18.451 8.372 3.592 35 1HD ARG 5 HD2 ARG 5 17.442 7.702 5.625 36 2HD ARG 5 HD1 ARG 5 18.348 8.901 6.569 37 HE ARG 5 HE ARG 5 15.916 9.427 5.053 38 1HH1 ARG 5 HH11 ARG 5 16.477 10.910 7.515 39 2HH1 ARG 5 HH12 ARG 5 17.008 12.455 6.942 40 1HH2 ARG 5 HH21 ARG 5 17.657 11.336 3.726 41 2HH2 ARG 5 HH22 ARG 5 17.675 12.697 4.798 42 H ASP 6 HN ASP 6 21.108 5.952 3.596 43 HA ASP 6 HA ASP 6 21.284 5.561 0.760 44 1HB ASP 6 HB2 ASP 6 20.858 4.048 3.224 45 2HB ASP 6 HB1 ASP 6 19.939 3.379 1.876 46 H GLN 7 HN GLN 7 18.689 6.527 2.810 47 HA GLN 7 HA GLN 7 16.408 6.939 2.386 48 1HB GLN 7 HB2 GLN 7 17.819 8.080 0.474 49 2HB GLN 7 HB1 GLN 7 17.093 6.829 -0.536 50 1HG GLN 7 HG2 GLN 7 14.913 7.616 -0.173 51 2HG GLN 7 HG1 GLN 7 15.367 8.471 1.302 52 1HE2 GLN 7 HE21 GLN 7 17.426 10.094 0.629 53 2HE2 GLN 7 HE22 GLN 7 17.025 11.127 -0.657 54 H VAL 8 HN VAL 8 14.502 6.065 0.942 55 HA VAL 8 HA VAL 8 14.906 3.239 0.104 56 HB VAL 8 HB VAL 8 14.501 2.979 2.432 57 1HG1 VAL 8 HG11 VAL 8 12.553 5.247 2.046 58 2HG1 VAL 8 HG12 VAL 8 13.939 5.161 3.134 59 3HG1 VAL 8 HG13 VAL 8 12.490 4.216 3.476 60 1HG2 VAL 8 HG21 VAL 8 11.991 2.305 2.539 61 2HG2 VAL 8 HG22 VAL 8 13.031 1.452 1.400 62 3HG2 VAL 8 HG23 VAL 8 11.954 2.725 0.828 63 H LYS 9 HN LYS 9 13.943 3.297 -1.927 64 HA LYS 9 HA LYS 9 11.583 5.039 -2.376 65 1HB LYS 9 HB2 LYS 9 13.362 3.343 -4.143 66 2HB LYS 9 HB1 LYS 9 11.943 4.198 -4.742 67 1HG LYS 9 HG2 LYS 9 13.143 6.197 -3.378 68 2HG LYS 9 HG1 LYS 9 14.560 5.280 -3.860 69 1HD LYS 9 HD2 LYS 9 12.679 6.873 -5.508 70 2HD LYS 9 HD1 LYS 9 14.395 6.574 -5.739 71 1HE LYS 9 HE2 LYS 9 12.141 4.637 -6.403 72 2HE LYS 9 HE1 LYS 9 13.145 5.523 -7.557 73 1HZ LYS 9 HZ1 LYS 9 14.509 3.954 -5.495 74 2HZ LYS 9 HZ2 LYS 9 14.976 4.281 -7.093 75 3HZ LYS 9 HZ3 LYS 9 13.792 3.106 -6.774 76 H ALA 10 HN ALA 10 9.696 3.970 -3.637 77 HA ALA 10 HA ALA 10 9.299 1.139 -3.616 78 1HB ALA 10 HB1 ALA 10 9.367 2.368 -1.044 79 2HB ALA 10 HB2 ALA 10 9.037 0.681 -1.430 80 3HB ALA 10 HB3 ALA 10 7.712 1.837 -1.335 81 H SER 11 HN SER 11 7.199 0.504 -4.201 82 HA SER 11 HA SER 11 5.293 2.738 -4.778 83 1HB SER 11 HB2 SER 11 4.586 1.394 -6.668 84 2HB SER 11 HB1 SER 11 6.347 1.401 -6.684 85 HG SER 11 HG SER 11 5.988 -0.694 -6.763 86 H HIS 12 HN HIS 12 2.876 1.834 -4.656 87 HA HIS 12 HA HIS 12 2.483 -0.537 -3.000 88 1HB HIS 12 HB2 HIS 12 2.193 0.481 -0.874 89 2HB HIS 12 HB1 HIS 12 3.672 1.181 -1.529 90 HD1 HIS 12 HD1 HIS 12 1.881 2.671 0.582 91 HD2 HIS 12 HD2 HIS 12 1.704 3.279 -3.539 92 HE1 HIS 12 HE1 HIS 12 0.883 4.974 0.240 93 H ILE 13 HN ILE 13 0.264 -0.721 -2.158 94 HA ILE 13 HA ILE 13 -1.763 1.067 -3.451 95 HB ILE 13 HB ILE 13 -1.476 -1.950 -3.516 96 1HG1 ILE 13 HG12 ILE 13 -1.719 0.250 -5.575 97 2HG1 ILE 13 HG11 ILE 13 -0.414 -0.919 -5.378 98 1HG2 ILE 13 HG21 ILE 13 -3.710 -2.259 -4.019 99 2HG2 ILE 13 HG22 ILE 13 -3.904 -0.624 -4.645 100 3HG2 ILE 13 HG23 ILE 13 -3.863 -0.903 -2.906 101 1HD1 ILE 13 HD11 ILE 13 -1.797 -1.593 -7.270 102 2HD1 ILE 13 HD12 ILE 13 -3.250 -1.517 -6.271 103 3HD1 ILE 13 HD13 ILE 13 -2.025 -2.745 -5.953 104 H LEU 14 HN LEU 14 -3.748 1.176 -2.167 105 HA LEU 14 HA LEU 14 -3.396 0.146 0.625 106 1HB LEU 14 HB2 LEU 14 -3.436 2.555 0.453 107 2HB LEU 14 HB1 LEU 14 -4.877 2.507 -0.563 108 HG LEU 14 HG LEU 14 -5.962 1.253 1.454 109 1HD1 LEU 14 HD11 LEU 14 -4.986 1.573 3.577 110 2HD1 LEU 14 HD12 LEU 14 -3.891 2.822 2.985 111 3HD1 LEU 14 HD13 LEU 14 -3.619 1.133 2.554 112 1HD2 LEU 14 HD21 LEU 14 -6.791 3.329 2.290 113 2HD2 LEU 14 HD22 LEU 14 -6.395 3.637 0.600 114 3HD2 LEU 14 HD23 LEU 14 -5.302 4.177 1.873 115 H ILE 15 HN ILE 15 -4.935 -1.213 1.456 116 HA ILE 15 HA ILE 15 -7.394 -1.718 -0.192 117 HB ILE 15 HB ILE 15 -5.487 -3.445 1.376 118 1HG1 ILE 15 HG12 ILE 15 -6.857 -3.574 -1.325 119 2HG1 ILE 15 HG11 ILE 15 -5.139 -3.341 -1.004 120 1HG2 ILE 15 HG21 ILE 15 -8.411 -4.032 0.841 121 2HG2 ILE 15 HG22 ILE 15 -7.578 -4.055 2.395 122 3HG2 ILE 15 HG23 ILE 15 -7.227 -5.292 1.189 123 1HD1 ILE 15 HD11 ILE 15 -5.908 -5.731 0.325 124 2HD1 ILE 15 HD12 ILE 15 -4.851 -5.570 -1.077 125 3HD1 ILE 15 HD13 ILE 15 -6.583 -5.808 -1.302 126 H LYS 16 HN LYS 16 -8.806 -0.289 0.935 127 HA LYS 16 HA LYS 16 -8.889 0.323 3.664 128 1HB LYS 16 HB2 LYS 16 -10.765 0.249 1.368 129 2HB LYS 16 HB1 LYS 16 -11.514 0.353 2.962 130 1HG LYS 16 HG2 LYS 16 -10.280 2.346 3.502 131 2HG LYS 16 HG1 LYS 16 -9.269 2.175 2.066 132 1HD LYS 16 HD2 LYS 16 -12.179 2.253 1.545 133 2HD LYS 16 HD1 LYS 16 -11.489 3.752 2.170 134 1HE LYS 16 HE2 LYS 16 -10.127 2.285 -0.090 135 2HE LYS 16 HE1 LYS 16 -11.468 3.401 -0.413 136 1HZ LYS 16 HZ1 LYS 16 -10.003 5.048 -0.196 137 2HZ LYS 16 HZ2 LYS 16 -8.787 3.997 0.354 138 3HZ LYS 16 HZ3 LYS 16 -9.893 4.671 1.454 139 H HIS 17 HN HIS 17 -10.804 -0.401 5.164 140 HA HIS 17 HA HIS 17 -11.915 -3.032 4.983 141 1HB HIS 17 HB2 HIS 17 -10.348 -4.132 6.622 142 2HB HIS 17 HB1 HIS 17 -9.609 -3.765 5.065 143 HD1 HIS 17 HD1 HIS 17 -9.984 -0.648 6.801 144 HD2 HIS 17 HD2 HIS 17 -7.252 -3.788 7.025 145 HE1 HIS 17 HE1 HIS 17 -7.921 0.277 7.936 146 H GLN 18 HN GLN 18 -11.808 -3.797 7.699 147 HA GLN 18 HA GLN 18 -13.769 -2.071 8.897 148 1HB GLN 18 HB2 GLN 18 -12.319 -4.564 9.422 149 2HB GLN 18 HB1 GLN 18 -12.695 -3.670 10.895 150 1HG GLN 18 HG2 GLN 18 -14.883 -3.831 8.907 151 2HG GLN 18 HG1 GLN 18 -14.443 -5.354 9.682 152 1HE2 GLN 18 HE21 GLN 18 -15.557 -5.714 11.604 153 2HE2 GLN 18 HE22 GLN 18 -16.142 -4.502 12.637 154 H GLY 19 HN GLY 19 -10.399 -1.738 8.680 155 1HA GLY 19 HA2 GLY 19 -9.472 -0.838 11.122 156 2HA GLY 19 HA1 GLY 19 -9.018 -0.059 9.606 157 H SER 20 HN SER 20 -10.242 1.780 8.897 158 HA SER 20 HA SER 20 -12.453 2.860 10.434 159 1HB SER 20 HB2 SER 20 -9.611 3.679 10.983 160 2HB SER 20 HB1 SER 20 -10.905 4.858 11.176 161 HG SER 20 HG SER 20 -11.578 3.823 12.889 162 H ARG 21 HN ARG 21 -12.577 2.609 7.832 163 HA ARG 21 HA ARG 21 -12.399 5.365 6.782 164 1HB ARG 21 HB2 ARG 21 -10.214 3.830 6.491 165 2HB ARG 21 HB1 ARG 21 -11.131 3.242 5.104 166 1HG ARG 21 HG2 ARG 21 -9.982 5.043 4.167 167 2HG ARG 21 HG1 ARG 21 -11.508 5.801 4.626 168 1HD ARG 21 HD2 ARG 21 -10.444 7.188 6.068 169 2HD ARG 21 HD1 ARG 21 -9.631 5.820 6.854 170 HE ARG 21 HE ARG 21 -8.442 6.215 4.293 171 1HH1 ARG 21 HH11 ARG 21 -7.932 6.653 7.555 172 2HH1 ARG 21 HH12 ARG 21 -6.775 7.932 7.395 173 1HH2 ARG 21 HH21 ARG 21 -7.294 8.335 3.991 174 2HH2 ARG 21 HH22 ARG 21 -6.414 8.884 5.378 175 H ARG 22 HN ARG 22 -14.051 5.704 5.302 176 HA ARG 22 HA ARG 22 -15.917 3.484 4.781 177 1HB ARG 22 HB2 ARG 22 -16.018 6.336 3.768 178 2HB ARG 22 HB1 ARG 22 -17.373 5.250 4.085 179 1HG ARG 22 HG2 ARG 22 -16.638 5.239 6.522 180 2HG ARG 22 HG1 ARG 22 -15.545 6.560 6.109 181 1HD ARG 22 HD2 ARG 22 -18.301 6.962 5.136 182 2HD ARG 22 HD1 ARG 22 -18.150 6.922 6.904 183 HE ARG 22 HE ARG 22 -16.776 8.844 5.103 184 1HH1 ARG 22 HH11 ARG 22 -18.336 8.414 8.021 185 2HH1 ARG 22 HH12 ARG 22 -17.243 9.374 8.961 186 1HH2 ARG 22 HH21 ARG 22 -14.928 9.718 6.400 187 2HH2 ARG 22 HH22 ARG 22 -15.313 10.113 8.043 188 H LYS 23 HN LYS 23 -16.789 3.339 2.437 189 HA LYS 23 HA LYS 23 -14.451 3.209 0.586 190 1HB LYS 23 HB2 LYS 23 -16.434 1.420 1.324 191 2HB LYS 23 HB1 LYS 23 -17.003 2.015 -0.237 192 1HG LYS 23 HG2 LYS 23 -14.123 1.437 -0.188 193 2HG LYS 23 HG1 LYS 23 -15.130 0.018 0.104 194 1HD LYS 23 HD2 LYS 23 -16.511 0.869 -1.936 195 2HD LYS 23 HD1 LYS 23 -15.076 1.828 -2.303 196 1HE LYS 23 HE2 LYS 23 -14.078 -0.732 -1.717 197 2HE LYS 23 HE1 LYS 23 -15.512 -1.014 -2.724 198 1HZ LYS 23 HZ1 LYS 23 -13.380 0.968 -3.325 199 2HZ LYS 23 HZ2 LYS 23 -14.726 0.609 -4.298 200 3HZ LYS 23 HZ3 LYS 23 -13.512 -0.556 -4.060 201 H ALA 24 HN ALA 24 -14.597 4.144 -1.511 202 HA ALA 24 HA ALA 24 -15.390 5.621 -3.186 203 1HB ALA 24 HB1 ALA 24 -18.069 5.972 -2.115 204 2HB ALA 24 HB2 ALA 24 -17.601 4.272 -2.093 205 3HB ALA 24 HB3 ALA 24 -17.567 5.176 -3.607 206 H SER 25 HN SER 25 -14.648 7.692 -3.022 207 HA SER 25 HA SER 25 -16.015 9.652 -1.338 208 1HB SER 25 HB2 SER 25 -14.016 8.107 -0.177 209 2HB SER 25 HB1 SER 25 -13.172 9.586 -0.627 210 HG SER 25 HG SER 25 -15.428 9.243 1.042 211 H TRP 26 HN TRP 26 -15.856 11.593 -2.413 212 HA TRP 26 HA TRP 26 -13.393 12.395 -3.787 213 1HB TRP 26 HB2 TRP 26 -15.434 10.881 -5.113 214 2HB TRP 26 HB1 TRP 26 -15.427 12.509 -5.790 215 HD1 TRP 26 HD1 TRP 26 -13.231 9.424 -5.355 216 HE1 TRP 26 HE1 TRP 26 -11.205 9.609 -6.937 217 HE3 TRP 26 HE3 TRP 26 -13.880 14.192 -7.069 218 HZ2 TRP 26 HZ2 TRP 26 -10.015 11.524 -8.696 219 HZ3 TRP 26 HZ3 TRP 26 -12.285 15.170 -8.694 220 HH2 TRP 26 HH2 TRP 26 -10.356 13.844 -9.510 221 H LYS 27 HN LYS 27 -14.332 13.884 -1.849 222 HA LYS 27 HA LYS 27 -15.147 16.029 -1.299 223 1HB LYS 27 HB2 LYS 27 -15.190 16.258 -4.327 224 2HB LYS 27 HB1 LYS 27 -15.167 17.602 -3.186 225 1HG LYS 27 HG2 LYS 27 -13.011 15.480 -3.325 226 2HG LYS 27 HG1 LYS 27 -12.905 17.041 -4.138 227 1HD LYS 27 HD2 LYS 27 -13.023 18.221 -2.029 228 2HD LYS 27 HD1 LYS 27 -13.352 16.722 -1.158 229 1HE LYS 27 HE2 LYS 27 -10.920 17.560 -1.080 230 2HE LYS 27 HE1 LYS 27 -11.137 15.879 -1.610 231 1HZ LYS 27 HZ1 LYS 27 -9.759 17.543 -3.059 232 2HZ LYS 27 HZ2 LYS 27 -11.294 18.029 -3.603 233 3HZ LYS 27 HZ3 LYS 27 -10.792 16.416 -3.793 234 H ASP 28 HN ASP 28 -16.930 15.591 -4.364 235 HA ASP 28 HA ASP 28 -19.397 16.550 -3.572 236 1HB ASP 28 HB2 ASP 28 -18.345 14.635 -5.543 237 2HB ASP 28 HB1 ASP 28 -20.053 14.401 -5.170 238 HA PRO 29 HA PRO 29 -20.863 12.430 -1.764 239 1HB PRO 29 HB2 PRO 29 -19.288 10.208 -1.935 240 2HB PRO 29 HB1 PRO 29 -20.409 10.688 -3.225 241 1HG PRO 29 HG2 PRO 29 -17.467 11.002 -3.062 242 2HG PRO 29 HG1 PRO 29 -18.492 10.679 -4.465 243 1HD PRO 29 HD2 PRO 29 -17.415 13.142 -3.839 244 2HD PRO 29 HD1 PRO 29 -18.840 12.881 -4.867 245 H GLU 30 HN GLU 30 -20.646 11.837 0.446 246 HA GLU 30 HA GLU 30 -18.104 12.702 1.744 247 1HB GLU 30 HB2 GLU 30 -20.989 12.581 2.395 248 2HB GLU 30 HB1 GLU 30 -19.910 12.190 3.735 249 1HG GLU 30 HG2 GLU 30 -18.659 14.377 2.667 250 2HG GLU 30 HG1 GLU 30 -20.353 14.767 2.368 251 H GLY 31 HN GLY 31 -20.469 10.283 2.834 252 1HA GLY 31 HA2 GLY 31 -18.704 8.025 2.389 253 2HA GLY 31 HA1 GLY 31 -18.687 8.544 4.076 254 H LYS 32 HN LYS 32 -19.634 6.045 3.619 255 HA LYS 32 HA LYS 32 -22.404 6.248 4.534 256 1HB LYS 32 HB2 LYS 32 -23.319 5.012 2.585 257 2HB LYS 32 HB1 LYS 32 -22.618 6.555 2.095 258 1HG LYS 32 HG2 LYS 32 -20.570 4.527 2.090 259 2HG LYS 32 HG1 LYS 32 -21.945 3.979 1.130 260 1HD LYS 32 HD2 LYS 32 -20.986 6.796 0.783 261 2HD LYS 32 HD1 LYS 32 -20.065 5.490 0.035 262 1HE LYS 32 HE2 LYS 32 -22.227 4.670 -1.003 263 2HE LYS 32 HE1 LYS 32 -22.990 6.162 -0.418 264 1HZ LYS 32 HZ1 LYS 32 -20.953 7.292 -1.474 265 2HZ LYS 32 HZ2 LYS 32 -22.206 6.774 -2.497 266 3HZ LYS 32 HZ3 LYS 32 -20.785 5.853 -2.356 267 H ILE 33 HN ILE 33 -23.314 3.786 4.431 268 HA ILE 33 HA ILE 33 -21.587 2.223 6.123 269 HB ILE 33 HB ILE 33 -24.094 1.566 4.543 270 1HG1 ILE 33 HG12 ILE 33 -24.426 3.407 6.106 271 2HG1 ILE 33 HG11 ILE 33 -25.190 1.958 6.760 272 1HG2 ILE 33 HG21 ILE 33 -22.355 -0.177 5.917 273 2HG2 ILE 33 HG22 ILE 33 -23.996 -0.527 5.373 274 3HG2 ILE 33 HG23 ILE 33 -23.719 0.085 7.004 275 1HD1 ILE 33 HD11 ILE 33 -22.988 3.532 7.845 276 2HD1 ILE 33 HD12 ILE 33 -22.567 1.825 7.705 277 3HD1 ILE 33 HD13 ILE 33 -23.985 2.310 8.636 278 H ILE 34 HN ILE 34 -23.041 0.746 3.260 279 HA ILE 34 HA ILE 34 -22.090 -0.704 1.654 280 HB ILE 34 HB ILE 34 -20.182 1.603 2.008 281 1HG1 ILE 34 HG12 ILE 34 -22.080 0.684 -0.171 282 2HG1 ILE 34 HG11 ILE 34 -22.282 2.079 0.890 283 1HG2 ILE 34 HG21 ILE 34 -19.011 0.800 -0.057 284 2HG2 ILE 34 HG22 ILE 34 -19.890 -0.722 0.082 285 3HG2 ILE 34 HG23 ILE 34 -18.748 -0.245 1.339 286 1HD1 ILE 34 HD11 ILE 34 -21.031 2.056 -1.623 287 2HD1 ILE 34 HD12 ILE 34 -19.713 2.172 -0.457 288 3HD1 ILE 34 HD13 ILE 34 -21.007 3.369 -0.446 289 H LEU 35 HN LEU 35 -21.651 -2.675 2.682 290 HA LEU 35 HA LEU 35 -19.916 -3.297 4.755 291 1HB LEU 35 HB2 LEU 35 -20.872 -4.669 2.273 292 2HB LEU 35 HB1 LEU 35 -19.623 -5.473 3.222 293 HG LEU 35 HG LEU 35 -21.958 -6.123 3.884 294 1HD1 LEU 35 HD11 LEU 35 -21.178 -6.467 5.978 295 2HD1 LEU 35 HD12 LEU 35 -21.085 -4.737 6.307 296 3HD1 LEU 35 HD13 LEU 35 -19.755 -5.550 5.482 297 1HD2 LEU 35 HD21 LEU 35 -22.057 -3.194 4.667 298 2HD2 LEU 35 HD22 LEU 35 -23.209 -4.400 5.239 299 3HD2 LEU 35 HD23 LEU 35 -23.108 -4.023 3.519 300 H THR 36 HN THR 36 -17.678 -3.468 4.985 301 HA THR 36 HA THR 36 -16.021 -2.560 2.675 302 HB THR 36 HB THR 36 -14.395 -2.591 4.867 303 HG1 THR 36 HG1 THR 36 -15.807 -1.807 6.565 304 1HG2 THR 36 HG21 THR 36 -14.666 -0.262 4.879 305 2HG2 THR 36 HG22 THR 36 -16.389 -0.366 4.517 306 3HG2 THR 36 HG23 THR 36 -15.202 -0.707 3.258 307 H THR 37 HN THR 37 -13.559 -3.597 3.423 308 HA THR 37 HA THR 37 -13.913 -6.464 2.759 309 HB THR 37 HB THR 37 -12.323 -4.515 1.774 310 HG1 THR 37 HG1 THR 37 -11.124 -7.012 1.919 311 1HG2 THR 37 HG21 THR 37 -10.040 -4.768 2.576 312 2HG2 THR 37 HG22 THR 37 -10.555 -5.974 3.755 313 3HG2 THR 37 HG23 THR 37 -11.076 -4.299 3.922 314 H THR 38 HN THR 38 -14.062 -4.950 5.546 315 HA THR 38 HA THR 38 -13.481 -5.421 7.772 316 HB THR 38 HB THR 38 -13.008 -8.154 7.691 317 HG1 THR 38 HG1 THR 38 -14.935 -8.512 6.133 318 1HG2 THR 38 HG21 THR 38 -15.664 -8.090 7.926 319 2HG2 THR 38 HG22 THR 38 -15.361 -6.358 8.063 320 3HG2 THR 38 HG23 THR 38 -14.610 -7.477 9.201 321 H ARG 39 HN ARG 39 -11.777 -6.448 9.225 322 HA ARG 39 HA ARG 39 -9.136 -5.785 8.131 323 1HB ARG 39 HB2 ARG 39 -8.439 -6.015 10.470 324 2HB ARG 39 HB1 ARG 39 -9.924 -5.070 10.381 325 1HG ARG 39 HG2 ARG 39 -11.219 -7.163 10.856 326 2HG ARG 39 HG1 ARG 39 -9.688 -8.008 11.085 327 1HD ARG 39 HD2 ARG 39 -10.763 -5.690 12.727 328 2HD ARG 39 HD1 ARG 39 -10.409 -7.339 13.282 329 HE ARG 39 HE ARG 39 -8.333 -5.369 12.410 330 1HH1 ARG 39 HH21 ARG 39 -7.773 -8.383 12.172 331 2HH1 ARG 39 HH22 ARG 39 -6.921 -8.669 13.653 332 1HH2 ARG 39 HH11 ARG 39 -7.911 -5.681 15.110 333 2HH2 ARG 39 HH12 ARG 39 -6.999 -7.139 15.317 334 H GLU 40 HN GLU 40 -10.652 -8.677 9.594 335 HA GLU 40 HA GLU 40 -8.406 -10.431 9.158 336 1HB GLU 40 HB2 GLU 40 -10.429 -10.736 10.669 337 2HB GLU 40 HB1 GLU 40 -11.375 -11.069 9.222 338 1HG GLU 40 HG2 GLU 40 -9.254 -12.746 8.843 339 2HG GLU 40 HG1 GLU 40 -9.389 -12.770 10.602 340 H ALA 41 HN ALA 41 -11.357 -9.693 7.374 341 HA ALA 41 HA ALA 41 -10.855 -11.403 5.106 342 1HB ALA 41 HB1 ALA 41 -12.447 -9.152 4.413 343 2HB ALA 41 HB2 ALA 41 -12.765 -9.485 6.114 344 3HB ALA 41 HB3 ALA 41 -13.019 -10.743 4.908 345 H ALA 42 HN ALA 42 -9.830 -8.187 6.047 346 HA ALA 42 HA ALA 42 -9.040 -7.171 3.489 347 1HB ALA 42 HB1 ALA 42 -7.309 -6.107 5.379 348 2HB ALA 42 HB2 ALA 42 -8.702 -6.596 6.344 349 3HB ALA 42 HB3 ALA 42 -8.911 -5.478 4.997 350 H VAL 43 HN VAL 43 -6.943 -8.470 6.076 351 HA VAL 43 HA VAL 43 -4.567 -8.735 4.627 352 HB VAL 43 HB VAL 43 -5.834 -10.473 6.764 353 1HG1 VAL 43 HG11 VAL 43 -3.363 -10.824 5.242 354 2HG1 VAL 43 HG12 VAL 43 -4.170 -11.942 6.341 355 3HG1 VAL 43 HG13 VAL 43 -3.076 -10.716 6.979 356 1HG2 VAL 43 HG21 VAL 43 -4.075 -8.042 6.707 357 2HG2 VAL 43 HG22 VAL 43 -3.920 -9.177 8.048 358 3HG2 VAL 43 HG23 VAL 43 -5.465 -8.388 7.736 359 H GLU 44 HN GLU 44 -7.413 -10.854 4.634 360 HA GLU 44 HA GLU 44 -6.329 -13.041 3.158 361 1HB GLU 44 HB2 GLU 44 -8.859 -12.050 4.093 362 2HB GLU 44 HB1 GLU 44 -9.043 -12.537 2.407 363 1HG GLU 44 HG2 GLU 44 -7.621 -14.319 4.377 364 2HG GLU 44 HG1 GLU 44 -9.379 -14.348 4.238 365 H GLN 45 HN GLN 45 -8.180 -10.216 1.998 366 HA GLN 45 HA GLN 45 -7.935 -10.605 -0.784 367 1HB GLN 45 HB2 GLN 45 -9.083 -8.785 0.774 368 2HB GLN 45 HB1 GLN 45 -7.591 -7.897 0.477 369 1HG GLN 45 HG2 GLN 45 -8.068 -8.523 -2.041 370 2HG GLN 45 HG1 GLN 45 -9.725 -8.706 -1.467 371 1HE2 GLN 45 HE21 GLN 45 -8.528 -6.547 -3.234 372 2HE2 GLN 45 HE22 GLN 45 -8.891 -5.088 -2.444 373 H LEU 46 HN LEU 46 -5.683 -9.318 1.586 374 HA LEU 46 HA LEU 46 -3.657 -8.409 -0.267 375 1HB LEU 46 HB2 LEU 46 -4.211 -8.088 2.360 376 2HB LEU 46 HB1 LEU 46 -2.977 -9.343 2.479 377 HG LEU 46 HG LEU 46 -1.827 -7.238 2.572 378 1HD1 LEU 46 HD11 LEU 46 -0.994 -9.093 0.985 379 2HD1 LEU 46 HD12 LEU 46 -0.321 -7.478 0.759 380 3HD1 LEU 46 HD13 LEU 46 -1.585 -8.066 -0.321 381 1HD2 LEU 46 HD21 LEU 46 -3.893 -6.103 1.393 382 2HD2 LEU 46 HD22 LEU 46 -2.965 -6.394 -0.079 383 3HD2 LEU 46 HD23 LEU 46 -2.287 -5.398 1.208 384 H LYS 47 HN LYS 47 -4.272 -11.429 1.480 385 HA LYS 47 HA LYS 47 -1.867 -12.820 0.985 386 1HB LYS 47 HB2 LYS 47 -4.417 -13.301 2.018 387 2HB LYS 47 HB1 LYS 47 -4.297 -14.420 0.660 388 1HG LYS 47 HG2 LYS 47 -3.369 -15.655 2.427 389 2HG LYS 47 HG1 LYS 47 -1.946 -14.977 1.637 390 1HD LYS 47 HD2 LYS 47 -1.663 -14.590 3.986 391 2HD LYS 47 HD1 LYS 47 -2.101 -13.038 3.271 392 1HE LYS 47 HE2 LYS 47 -3.483 -13.252 5.217 393 2HE LYS 47 HE1 LYS 47 -4.543 -13.663 3.855 394 1HZ LYS 47 HZ1 LYS 47 -4.482 -15.866 4.337 395 2HZ LYS 47 HZ2 LYS 47 -4.239 -15.279 5.913 396 3HZ LYS 47 HZ3 LYS 47 -2.917 -15.807 4.987 397 H SER 48 HN SER 48 -4.876 -13.162 -0.895 398 HA SER 48 HA SER 48 -3.765 -14.488 -3.140 399 1HB SER 48 HB2 SER 48 -6.203 -12.991 -2.408 400 2HB SER 48 HB1 SER 48 -5.859 -13.004 -4.135 401 HG SER 48 HG SER 48 -7.102 -14.838 -3.092 402 H ILE 49 HN ILE 49 -3.881 -11.052 -2.310 403 HA ILE 49 HA ILE 49 -3.310 -9.861 -4.781 404 HB ILE 49 HB ILE 49 -3.135 -9.262 -1.961 405 1HG1 ILE 49 HG12 ILE 49 -4.619 -8.193 -3.628 406 2HG1 ILE 49 HG11 ILE 49 -3.651 -7.001 -2.762 407 1HG2 ILE 49 HG21 ILE 49 -0.803 -8.992 -1.966 408 2HG2 ILE 49 HG22 ILE 49 -1.371 -7.371 -2.359 409 3HG2 ILE 49 HG23 ILE 49 -0.775 -8.428 -3.637 410 1HD1 ILE 49 HD11 ILE 49 -2.134 -7.861 -5.019 411 2HD1 ILE 49 HD12 ILE 49 -2.820 -6.265 -4.717 412 3HD1 ILE 49 HD13 ILE 49 -3.761 -7.480 -5.583 413 H ARG 50 HN ARG 50 -0.783 -10.787 -2.405 414 HA ARG 50 HA ARG 50 1.476 -10.506 -4.012 415 1HB ARG 50 HB2 ARG 50 1.283 -11.239 -1.580 416 2HB ARG 50 HB1 ARG 50 0.913 -12.859 -2.173 417 1HG ARG 50 HG2 ARG 50 3.132 -12.430 -3.604 418 2HG ARG 50 HG1 ARG 50 3.490 -11.355 -2.251 419 1HD ARG 50 HD2 ARG 50 4.391 -13.530 -1.681 420 2HD ARG 50 HD1 ARG 50 2.922 -13.317 -0.707 421 HE ARG 50 HE ARG 50 1.753 -14.553 -2.667 422 1HH1 ARG 50 HH21 ARG 50 4.531 -15.432 -0.960 423 2HH1 ARG 50 HH22 ARG 50 4.870 -16.842 -1.907 424 1HH2 ARG 50 HH11 ARG 50 2.404 -16.179 -4.254 425 2HH2 ARG 50 HH12 ARG 50 3.666 -17.264 -3.773 426 H GLU 51 HN GLU 51 -0.709 -13.314 -3.816 427 HA GLU 51 HA GLU 51 0.586 -14.929 -5.817 428 1HB GLU 51 HB2 GLU 51 -0.946 -16.066 -4.496 429 2HB GLU 51 HB1 GLU 51 -2.031 -14.697 -4.385 430 1HG GLU 51 HG2 GLU 51 -2.876 -16.698 -5.727 431 2HG GLU 51 HG1 GLU 51 -2.960 -15.132 -6.531 432 H ASP 52 HN ASP 52 -2.421 -13.033 -6.052 433 HA ASP 52 HA ASP 52 -2.788 -13.097 -8.829 434 1HB ASP 52 HB2 ASP 52 -3.370 -11.196 -6.594 435 2HB ASP 52 HB1 ASP 52 -3.565 -10.568 -8.229 436 H ILE 53 HN ILE 53 -0.920 -10.660 -6.969 437 HA ILE 53 HA ILE 53 0.202 -9.267 -9.184 438 HB ILE 53 HB ILE 53 1.398 -9.909 -6.463 439 1HG1 ILE 53 HG12 ILE 53 -0.940 -8.878 -6.502 440 2HG1 ILE 53 HG11 ILE 53 0.287 -7.944 -5.649 441 1HG2 ILE 53 HG21 ILE 53 3.013 -8.957 -8.078 442 2HG2 ILE 53 HG22 ILE 53 2.646 -7.809 -6.790 443 3HG2 ILE 53 HG23 ILE 53 1.911 -7.613 -8.380 444 1HD1 ILE 53 HD11 ILE 53 0.279 -6.267 -7.197 445 2HD1 ILE 53 HD12 ILE 53 -1.337 -6.883 -7.544 446 3HD1 ILE 53 HD13 ILE 53 0.029 -7.376 -8.545 447 H VAL 54 HN VAL 54 0.913 -12.335 -7.693 448 HA VAL 54 HA VAL 54 3.476 -12.756 -9.026 449 HB VAL 54 HB VAL 54 1.606 -14.190 -7.193 450 1HG1 VAL 54 HG11 VAL 54 3.150 -16.247 -7.473 451 2HG1 VAL 54 HG12 VAL 54 3.515 -15.572 -9.062 452 3HG1 VAL 54 HG13 VAL 54 1.858 -16.014 -8.650 453 1HG2 VAL 54 HG21 VAL 54 4.616 -13.940 -7.258 454 2HG2 VAL 54 HG22 VAL 54 3.636 -14.509 -5.907 455 3HG2 VAL 54 HG23 VAL 54 3.536 -12.825 -6.421 456 H SER 55 HN SER 55 0.410 -14.600 -9.245 457 HA SER 55 HA SER 55 1.059 -15.241 -12.084 458 1HB SER 55 HB2 SER 55 -1.364 -16.398 -10.956 459 2HB SER 55 HB1 SER 55 0.066 -17.209 -11.582 460 HG SER 55 HG SER 55 -0.204 -17.599 -9.354 461 H GLY 56 HN GLY 56 -0.292 -14.550 -13.778 462 1HA GLY 56 HA2 GLY 56 -2.388 -13.709 -14.653 463 2HA GLY 56 HA1 GLY 56 -2.753 -13.056 -13.054 464 H LYS 57 HN LYS 57 -1.687 -12.230 -16.112 465 HA LYS 57 HA LYS 57 0.206 -10.134 -15.473 466 1HB LYS 57 HB2 LYS 57 -0.363 -11.531 -17.624 467 2HB LYS 57 HB1 LYS 57 -1.560 -10.272 -17.897 468 1HG LYS 57 HG2 LYS 57 0.037 -8.868 -18.647 469 2HG LYS 57 HG1 LYS 57 0.956 -9.072 -17.153 470 1HD LYS 57 HD2 LYS 57 1.462 -11.454 -18.347 471 2HD LYS 57 HD1 LYS 57 1.278 -10.430 -19.769 472 1HE LYS 57 HE2 LYS 57 2.892 -8.793 -18.571 473 2HE LYS 57 HE1 LYS 57 3.282 -10.172 -17.523 474 1HZ LYS 57 HZ1 LYS 57 3.841 -11.490 -19.406 475 2HZ LYS 57 HZ2 LYS 57 4.678 -10.021 -19.572 476 3HZ LYS 57 HZ3 LYS 57 3.278 -10.312 -20.490 477 H ALA 58 HN ALA 58 -1.874 -9.714 -13.697 478 HA ALA 58 HA ALA 58 -3.946 -7.938 -14.652 479 1HB ALA 58 HB1 ALA 58 -4.534 -8.834 -12.649 480 2HB ALA 58 HB2 ALA 58 -3.600 -7.507 -11.958 481 3HB ALA 58 HB3 ALA 58 -2.855 -9.091 -12.177 482 H ASN 59 HN ASN 59 -0.632 -7.521 -14.044 483 HA ASN 59 HA ASN 59 0.739 -5.609 -14.274 484 1HB ASN 59 HB2 ASN 59 -1.276 -4.970 -15.768 485 2HB ASN 59 HB1 ASN 59 -1.810 -4.017 -14.390 486 1HD2 ASN 59 HD21 ASN 59 1.133 -4.509 -16.409 487 2HD2 ASN 59 HD22 ASN 59 1.639 -2.890 -16.330 488 H PHE 60 HN PHE 60 -0.671 -3.010 -13.074 489 HA PHE 60 HA PHE 60 -1.107 -3.583 -10.286 490 1HB PHE 60 HB2 PHE 60 1.262 -4.276 -10.523 491 2HB PHE 60 HB1 PHE 60 1.664 -2.666 -11.117 492 HD1 PHE 60 HD1 PHE 60 0.986 -0.660 -9.574 493 HD2 PHE 60 HD2 PHE 60 1.364 -4.723 -8.235 494 HE1 PHE 60 HE1 PHE 60 1.246 0.133 -7.239 495 HE2 PHE 60 HE2 PHE 60 1.624 -3.931 -5.900 496 HZ PHE 60 HZ PHE 60 1.565 -1.502 -5.402 497 H GLU 61 HN GLU 61 -0.035 -1.286 -12.741 498 HA GLU 61 HA GLU 61 -0.213 1.141 -11.319 499 1HB GLU 61 HB2 GLU 61 -0.694 0.279 -14.164 500 2HB GLU 61 HB1 GLU 61 -0.905 1.967 -13.700 501 1HG GLU 61 HG2 GLU 61 1.525 1.177 -12.526 502 2HG GLU 61 HG1 GLU 61 1.551 0.502 -14.154 503 H GLU 62 HN GLU 62 -2.727 0.599 -13.729 504 HA GLU 62 HA GLU 62 -4.762 2.097 -12.641 505 1HB GLU 62 HB2 GLU 62 -6.267 0.614 -13.891 506 2HB GLU 62 HB1 GLU 62 -4.766 0.827 -14.794 507 1HG GLU 62 HG2 GLU 62 -3.917 -1.307 -13.843 508 2HG GLU 62 HG1 GLU 62 -5.462 -1.532 -13.020 509 H VAL 63 HN VAL 63 -3.804 -1.166 -11.601 510 HA VAL 63 HA VAL 63 -5.998 -1.708 -9.858 511 HB VAL 63 HB VAL 63 -3.061 -2.445 -9.602 512 1HG1 VAL 63 HG11 VAL 63 -5.244 -2.972 -7.906 513 2HG1 VAL 63 HG12 VAL 63 -3.674 -3.774 -7.886 514 3HG1 VAL 63 HG13 VAL 63 -5.001 -4.458 -8.825 515 1HG2 VAL 63 HG21 VAL 63 -5.094 -4.254 -10.830 516 2HG2 VAL 63 HG22 VAL 63 -3.376 -4.087 -11.192 517 3HG2 VAL 63 HG23 VAL 63 -4.525 -2.897 -11.803 518 H ALA 64 HN ALA 64 -3.003 0.131 -9.399 519 HA ALA 64 HA ALA 64 -3.420 0.611 -6.560 520 1HB ALA 64 HB1 ALA 64 -1.381 1.669 -6.756 521 2HB ALA 64 HB2 ALA 64 -1.839 2.488 -8.250 522 3HB ALA 64 HB3 ALA 64 -1.340 0.797 -8.288 523 H THR 65 HN THR 65 -3.621 2.795 -9.406 524 HA THR 65 HA THR 65 -4.768 5.045 -8.258 525 HB THR 65 HB THR 65 -6.172 4.685 -10.633 526 HG1 THR 65 HG1 THR 65 -5.106 2.648 -10.823 527 1HG2 THR 65 HG21 THR 65 -3.609 5.919 -9.791 528 2HG2 THR 65 HG22 THR 65 -4.996 6.644 -10.604 529 3HG2 THR 65 HG23 THR 65 -3.830 5.696 -11.527 530 H ARG 66 HN ARG 66 -6.250 1.914 -8.828 531 HA ARG 66 HA ARG 66 -8.980 2.826 -8.257 532 1HB ARG 66 HB2 ARG 66 -7.649 0.614 -9.433 533 2HB ARG 66 HB1 ARG 66 -8.554 -0.022 -8.060 534 1HG ARG 66 HG2 ARG 66 -10.209 1.885 -9.397 535 2HG ARG 66 HG1 ARG 66 -9.558 0.784 -10.611 536 1HD ARG 66 HD2 ARG 66 -10.519 -1.115 -9.586 537 2HD ARG 66 HD1 ARG 66 -10.735 -0.277 -8.035 538 HE ARG 66 HE ARG 66 -12.192 0.731 -10.432 539 1HH1 ARG 66 HH11 ARG 66 -12.419 -1.437 -7.836 540 2HH1 ARG 66 HH12 ARG 66 -13.966 -0.875 -7.294 541 1HH2 ARG 66 HH21 ARG 66 -14.072 1.788 -9.509 542 2HH2 ARG 66 HH22 ARG 66 -14.900 0.950 -8.240 543 H VAL 67 HN VAL 67 -7.057 0.265 -6.698 544 HA VAL 67 HA VAL 67 -8.334 0.904 -4.091 545 HB VAL 67 HB VAL 67 -8.302 -1.411 -4.849 546 1HG1 VAL 67 HG11 VAL 67 -6.619 -1.851 -6.315 547 2HG1 VAL 67 HG12 VAL 67 -5.711 -2.287 -4.868 548 3HG1 VAL 67 HG13 VAL 67 -5.533 -0.678 -5.567 549 1HG2 VAL 67 HG21 VAL 67 -7.438 -2.419 -2.916 550 2HG2 VAL 67 HG22 VAL 67 -7.672 -0.751 -2.394 551 3HG2 VAL 67 HG23 VAL 67 -6.063 -1.319 -2.840 552 H SER 68 HN SER 68 -6.809 3.010 -4.532 553 HA SER 68 HA SER 68 -4.086 2.486 -3.404 554 1HB SER 68 HB2 SER 68 -4.055 5.036 -4.304 555 2HB SER 68 HB1 SER 68 -3.746 3.652 -5.351 556 HG SER 68 HG SER 68 -5.735 3.800 -6.159 557 H ASP 69 HN ASP 69 -3.323 4.639 -2.210 558 HA ASP 69 HA ASP 69 -5.103 4.986 0.099 559 1HB ASP 69 HB2 ASP 69 -2.654 4.636 0.283 560 2HB ASP 69 HB1 ASP 69 -2.383 6.137 -0.603 561 H CYS 70 HN CYS 70 -6.658 6.068 -1.657 562 HA CYS 70 HA CYS 70 -7.679 8.041 -2.444 563 1HB CYS 70 HB2 CYS 70 -7.830 8.376 -0.042 564 2HB CYS 70 HB1 CYS 70 -6.166 8.959 0.019 565 HG CYS 70 HG CYS 70 -8.558 10.549 -1.199 566 H SER 71 HN SER 71 -5.053 9.965 -1.140 567 HA SER 71 HA SER 71 -4.453 11.446 -3.431 568 1HB SER 71 HB2 SER 71 -3.596 11.705 -1.071 569 2HB SER 71 HB1 SER 71 -2.509 10.361 -1.368 570 HG SER 71 HG SER 71 -2.521 12.952 -2.462 571 H SER 72 HN SER 72 -3.101 8.361 -2.358 572 HA SER 72 HA SER 72 -1.252 7.905 -4.460 573 1HB SER 72 HB2 SER 72 -2.735 6.381 -2.419 574 2HB SER 72 HB1 SER 72 -2.293 5.422 -3.828 575 HG SER 72 HG SER 72 -0.501 7.104 -2.407 576 H ALA 73 HN ALA 73 -4.786 7.440 -4.324 577 HA ALA 73 HA ALA 73 -5.192 5.993 -6.720 578 1HB ALA 73 HB1 ALA 73 -6.739 8.402 -5.699 579 2HB ALA 73 HB2 ALA 73 -6.941 6.760 -5.088 580 3HB ALA 73 HB3 ALA 73 -7.366 7.139 -6.757 581 H LYS 74 HN LYS 74 -4.271 9.301 -6.108 582 HA LYS 74 HA LYS 74 -4.345 10.120 -8.939 583 1HB LYS 74 HB2 LYS 74 -4.680 11.490 -6.725 584 2HB LYS 74 HB1 LYS 74 -2.918 11.500 -6.654 585 1HG LYS 74 HG2 LYS 74 -2.786 12.576 -8.830 586 2HG LYS 74 HG1 LYS 74 -4.530 12.425 -9.052 587 1HD LYS 74 HD2 LYS 74 -4.355 14.625 -8.296 588 2HD LYS 74 HD1 LYS 74 -4.645 13.760 -6.787 589 1HE LYS 74 HE2 LYS 74 -2.685 14.556 -5.987 590 2HE LYS 74 HE1 LYS 74 -1.829 13.701 -7.286 591 1HZ LYS 74 HZ1 LYS 74 -2.533 15.572 -8.776 592 2HZ LYS 74 HZ2 LYS 74 -1.390 15.996 -7.593 593 3HZ LYS 74 HZ3 LYS 74 -3.024 16.416 -7.389 594 H ARG 75 HN ARG 75 -2.098 8.923 -6.543 595 HA ARG 75 HA ARG 75 0.101 8.763 -8.582 596 1HB ARG 75 HB2 ARG 75 0.178 10.349 -6.473 597 2HB ARG 75 HB1 ARG 75 0.491 8.853 -5.594 598 1HG ARG 75 HG2 ARG 75 2.150 8.861 -7.917 599 2HG ARG 75 HG1 ARG 75 2.320 10.421 -7.115 600 1HD ARG 75 HD2 ARG 75 2.438 7.847 -5.537 601 2HD ARG 75 HD1 ARG 75 3.886 8.541 -6.294 602 HE ARG 75 HE ARG 75 3.677 10.468 -4.861 603 1HH1 ARG 75 HH11 ARG 75 3.131 8.319 -2.834 604 2HH1 ARG 75 HH12 ARG 75 1.686 8.899 -2.075 605 1HH2 ARG 75 HH21 ARG 75 0.955 11.164 -4.597 606 2HH2 ARG 75 HH22 ARG 75 0.453 10.509 -3.074 607 H GLY 76 HN GLY 76 -1.497 6.655 -8.722 608 1HA GLY 76 HA2 GLY 76 -1.255 4.649 -6.695 609 2HA GLY 76 HA1 GLY 76 -1.760 4.357 -8.358 610 H GLY 77 HN GLY 77 0.995 5.834 -8.906 611 1HA GLY 77 HA2 GLY 77 2.427 3.416 -9.511 612 2HA GLY 77 HA1 GLY 77 3.105 5.043 -9.580 613 H ASP 78 HN ASP 78 4.372 5.758 -7.880 614 HA ASP 78 HA ASP 78 4.425 4.183 -5.372 615 1HB ASP 78 HB2 ASP 78 6.730 3.551 -5.672 616 2HB ASP 78 HB1 ASP 78 5.900 3.142 -7.172 617 H LEU 79 HN LEU 79 5.201 5.378 -3.630 618 HA LEU 79 HA LEU 79 5.084 8.159 -3.550 619 1HB LEU 79 HB2 LEU 79 6.777 7.835 -1.599 620 2HB LEU 79 HB1 LEU 79 5.235 7.009 -1.479 621 HG LEU 79 HG LEU 79 6.382 4.975 -2.464 622 1HD1 LEU 79 HD11 LEU 79 8.535 6.907 -2.625 623 2HD1 LEU 79 HD12 LEU 79 8.428 5.300 -3.341 624 3HD1 LEU 79 HD13 LEU 79 9.016 5.493 -1.707 625 1HD2 LEU 79 HD21 LEU 79 7.442 4.351 -0.346 626 2HD2 LEU 79 HD22 LEU 79 5.932 5.211 -0.054 627 3HD2 LEU 79 HD23 LEU 79 7.472 6.044 0.143 628 H GLY 80 HN GLY 80 7.650 6.136 -4.674 629 1HA GLY 80 HA2 GLY 80 9.325 6.861 -6.256 630 2HA GLY 80 HA1 GLY 80 9.192 8.490 -5.592 631 H SER 81 HN SER 81 9.904 8.778 -3.341 632 HA SER 81 HA SER 81 11.759 6.737 -2.280 633 1HB SER 81 HB2 SER 81 13.693 8.018 -2.572 634 2HB SER 81 HB1 SER 81 12.816 8.250 -4.081 635 HG SER 81 HG SER 81 12.677 10.288 -3.609 636 H PHE 82 HN PHE 82 12.536 7.252 -0.114 637 HA PHE 82 HA PHE 82 11.736 9.622 1.331 638 1HB PHE 82 HB2 PHE 82 9.980 8.500 2.709 639 2HB PHE 82 HB1 PHE 82 9.519 8.624 1.013 640 HD1 PHE 82 HD1 PHE 82 9.694 6.659 -0.475 641 HD2 PHE 82 HD2 PHE 82 10.371 6.349 3.749 642 HE1 PHE 82 HE1 PHE 82 9.429 4.195 -0.610 643 HE2 PHE 82 HE2 PHE 82 10.106 3.883 3.600 644 HZ PHE 82 HZ PHE 82 9.654 2.814 1.421 645 H GLY 83 HN GLY 83 11.446 8.367 3.897 646 1HA GLY 83 HA2 GLY 83 12.918 6.359 4.831 647 2HA GLY 83 HA1 GLY 83 14.224 7.385 4.237 648 H ARG 84 HN ARG 84 12.130 6.789 6.860 649 HA ARG 84 HA ARG 84 11.882 7.863 8.951 650 1HB ARG 84 HB2 ARG 84 14.516 8.880 7.870 651 2HB ARG 84 HB1 ARG 84 13.946 9.313 9.482 652 1HG ARG 84 HG2 ARG 84 15.016 7.403 10.112 653 2HG ARG 84 HG1 ARG 84 13.557 6.612 9.512 654 1HD ARG 84 HD2 ARG 84 14.644 5.732 7.706 655 2HD ARG 84 HD1 ARG 84 15.555 7.228 7.418 656 HE ARG 84 HE ARG 84 17.306 6.230 8.636 657 1HH1 ARG 84 HH21 ARG 84 15.054 3.883 8.764 658 2HH1 ARG 84 HH22 ARG 84 15.348 3.375 10.393 659 1HH2 ARG 84 HH11 ARG 84 17.353 6.096 11.163 660 2HH2 ARG 84 HH12 ARG 84 16.648 4.627 11.751 661 H GLY 85 HN GLY 85 10.018 9.156 8.531 662 1HA GLY 85 HA2 GLY 85 9.549 11.630 8.998 663 2HA GLY 85 HA1 GLY 85 10.574 11.943 7.597 664 H GLN 86 HN GLN 86 9.519 9.576 6.155 665 HA GLN 86 HA GLN 86 7.080 10.863 5.062 666 1HB GLN 86 HB2 GLN 86 9.119 8.837 4.279 667 2HB GLN 86 HB1 GLN 86 7.522 8.653 3.569 668 1HG GLN 86 HG2 GLN 86 9.368 11.033 3.347 669 2HG GLN 86 HG1 GLN 86 8.767 9.990 2.059 670 1HE2 GLN 86 HE21 GLN 86 8.133 12.886 3.797 671 2HE2 GLN 86 HE22 GLN 86 6.562 13.161 3.215 672 H MET 87 HN MET 87 7.792 7.454 5.191 673 HA MET 87 HA MET 87 5.063 6.776 5.980 674 1HB MET 87 HB2 MET 87 7.374 5.722 4.625 675 2HB MET 87 HB1 MET 87 6.833 4.560 5.839 676 1HG MET 87 HG2 MET 87 5.740 4.329 3.549 677 2HG MET 87 HG1 MET 87 4.618 4.484 4.899 678 1HE MET 87 HE1 MET 87 6.142 6.424 1.660 679 2HE MET 87 HE2 MET 87 7.003 6.766 3.157 680 3HE MET 87 HE3 MET 87 6.052 8.033 2.388 681 H GLN 88 HN GLN 88 4.538 5.627 7.910 682 HA GLN 88 HA GLN 88 5.814 6.422 10.302 683 1HB GLN 88 HB2 GLN 88 3.561 4.968 9.445 684 2HB GLN 88 HB1 GLN 88 4.421 3.897 10.545 685 1HG GLN 88 HG2 GLN 88 4.537 5.775 12.201 686 2HG GLN 88 HG1 GLN 88 3.527 6.733 11.117 687 1HE2 GLN 88 HE21 GLN 88 3.524 3.584 12.871 688 2HE2 GLN 88 HE22 GLN 88 1.841 3.539 13.088 689 H LYS 89 HN LYS 89 6.034 3.989 11.761 690 HA LYS 89 HA LYS 89 8.805 3.304 11.206 691 1HB LYS 89 HB2 LYS 89 6.692 2.666 13.228 692 2HB LYS 89 HB1 LYS 89 8.166 1.696 13.201 693 1HG LYS 89 HG2 LYS 89 9.152 3.332 14.399 694 2HG LYS 89 HG1 LYS 89 9.053 4.341 12.956 695 1HD LYS 89 HD2 LYS 89 8.009 5.420 14.949 696 2HD LYS 89 HD1 LYS 89 6.860 5.167 13.634 697 1HE LYS 89 HE2 LYS 89 5.665 3.592 14.808 698 2HE LYS 89 HE1 LYS 89 7.113 2.945 15.606 699 1HZ LYS 89 HZ1 LYS 89 7.196 5.274 16.683 700 2HZ LYS 89 HZ2 LYS 89 6.111 4.123 17.304 701 3HZ LYS 89 HZ3 LYS 89 5.552 5.355 16.275 702 HA PRO 90 HA PRO 90 6.975 -1.125 10.541 703 1HB PRO 90 HB2 PRO 90 4.346 -1.218 9.723 704 2HB PRO 90 HB1 PRO 90 4.864 -1.384 11.414 705 1HG PRO 90 HG2 PRO 90 3.867 1.042 9.977 706 2HG PRO 90 HG1 PRO 90 3.434 0.430 11.584 707 1HD PRO 90 HD2 PRO 90 5.152 2.439 11.320 708 2HD PRO 90 HD1 PRO 90 5.411 1.190 12.554 709 H PHE 91 HN PHE 91 5.250 1.271 8.430 710 HA PHE 91 HA PHE 91 5.556 -0.157 6.015 711 1HB PHE 91 HB2 PHE 91 4.257 1.919 6.205 712 2HB PHE 91 HB1 PHE 91 5.731 2.832 6.531 713 HD1 PHE 91 HD1 PHE 91 7.685 2.451 4.691 714 HD2 PHE 91 HD2 PHE 91 3.481 1.867 3.990 715 HE1 PHE 91 HE1 PHE 91 8.065 2.606 2.293 716 HE2 PHE 91 HE2 PHE 91 3.892 2.061 1.543 717 HZ PHE 91 HZ PHE 91 6.190 2.437 0.702 718 H GLU 92 HN GLU 92 7.722 2.410 7.231 719 HA GLU 92 HA GLU 92 9.775 2.272 5.388 720 1HB GLU 92 HB2 GLU 92 9.419 3.596 7.635 721 2HB GLU 92 HB1 GLU 92 10.390 2.299 8.335 722 1HG GLU 92 HG2 GLU 92 11.621 3.182 5.890 723 2HG GLU 92 HG1 GLU 92 11.316 4.579 6.922 724 H GLU 93 HN GLU 93 9.687 0.329 8.383 725 HA GLU 93 HA GLU 93 11.860 -1.381 7.824 726 1HB GLU 93 HB2 GLU 93 11.070 -1.679 9.965 727 2HB GLU 93 HB1 GLU 93 9.408 -1.336 9.497 728 1HG GLU 93 HG2 GLU 93 9.269 -3.615 8.478 729 2HG GLU 93 HG1 GLU 93 10.889 -3.948 9.085 730 H ALA 94 HN ALA 94 8.698 -1.234 6.409 731 HA ALA 94 HA ALA 94 8.626 -3.934 5.326 732 1HB ALA 94 HB1 ALA 94 6.600 -3.183 4.386 733 2HB ALA 94 HB2 ALA 94 7.204 -1.539 4.181 734 3HB ALA 94 HB3 ALA 94 6.764 -2.122 5.786 735 H THR 95 HN THR 95 9.102 -0.736 3.814 736 HA THR 95 HA THR 95 9.980 -1.802 1.288 737 HB THR 95 HB THR 95 10.534 0.898 2.559 738 HG1 THR 95 HG1 THR 95 8.526 1.184 1.048 739 1HG2 THR 95 HG21 THR 95 11.784 0.448 0.494 740 2HG2 THR 95 HG22 THR 95 10.535 1.657 0.204 741 3HG2 THR 95 HG23 THR 95 10.291 -0.009 -0.319 742 H TYR 96 HN TYR 96 11.583 -0.947 4.297 743 HA TYR 96 HA TYR 96 14.295 -1.015 3.226 744 1HB TYR 96 HB2 TYR 96 12.878 -0.775 5.835 745 2HB TYR 96 HB1 TYR 96 14.541 -1.355 5.899 746 HD1 TYR 96 HD1 TYR 96 12.408 1.516 5.504 747 HD2 TYR 96 HD2 TYR 96 16.348 0.010 4.692 748 HE1 TYR 96 HE1 TYR 96 13.228 3.833 5.185 749 HE2 TYR 96 HE2 TYR 96 17.169 2.328 4.373 750 HH TYR 96 HH TYR 96 16.653 4.527 4.741 751 H ALA 97 HN ALA 97 11.994 -3.328 4.466 752 HA ALA 97 HA ALA 97 14.006 -5.440 4.906 753 1HB ALA 97 HB1 ALA 97 12.071 -5.202 6.381 754 2HB ALA 97 HB2 ALA 97 11.929 -6.721 5.497 755 3HB ALA 97 HB3 ALA 97 10.974 -5.322 5.006 756 H LEU 98 HN LEU 98 11.634 -4.486 2.463 757 HA LEU 98 HA LEU 98 11.902 -7.002 0.960 758 1HB LEU 98 HB2 LEU 98 10.004 -5.028 1.240 759 2HB LEU 98 HB1 LEU 98 10.710 -4.633 -0.327 760 HG LEU 98 HG LEU 98 10.364 -7.470 -0.185 761 1HD1 LEU 98 HD11 LEU 98 7.700 -6.141 0.058 762 2HD1 LEU 98 HD12 LEU 98 8.594 -6.465 1.543 763 3HD1 LEU 98 HD13 LEU 98 8.170 -7.792 0.462 764 1HD2 LEU 98 HD21 LEU 98 9.893 -6.998 -2.340 765 2HD2 LEU 98 HD22 LEU 98 9.943 -5.278 -1.953 766 3HD2 LEU 98 HD23 LEU 98 8.420 -6.161 -1.851 767 H LYS 99 HN LYS 99 13.197 -7.287 -0.855 768 HA LYS 99 HA LYS 99 15.006 -5.014 -1.586 769 1HB LYS 99 HB2 LYS 99 15.247 -7.943 -1.238 770 2HB LYS 99 HB1 LYS 99 16.105 -7.295 -2.637 771 1HG LYS 99 HG2 LYS 99 17.715 -6.457 -1.308 772 2HG LYS 99 HG1 LYS 99 16.515 -5.553 -0.382 773 1HD LYS 99 HD2 LYS 99 17.786 -7.142 1.047 774 2HD LYS 99 HD1 LYS 99 16.065 -7.523 1.005 775 1HE LYS 99 HE2 LYS 99 16.539 -9.592 0.222 776 2HE LYS 99 HE1 LYS 99 17.360 -8.879 -1.180 777 1HZ LYS 99 HZ1 LYS 99 18.675 -10.257 0.637 778 2HZ LYS 99 HZ2 LYS 99 18.725 -8.738 1.399 779 3HZ LYS 99 HZ3 LYS 99 19.374 -8.933 -0.160 780 H VAL 100 HN VAL 100 14.204 -7.955 -3.418 781 HA VAL 100 HA VAL 100 12.585 -6.478 -5.376 782 HB VAL 100 HB VAL 100 15.463 -7.264 -5.816 783 1HG1 VAL 100 HG11 VAL 100 13.222 -7.518 -7.702 784 2HG1 VAL 100 HG12 VAL 100 14.861 -8.157 -7.815 785 3HG1 VAL 100 HG13 VAL 100 14.528 -6.495 -8.300 786 1HG2 VAL 100 HG21 VAL 100 13.738 -4.820 -6.196 787 2HG2 VAL 100 HG22 VAL 100 15.269 -4.983 -7.056 788 3HG2 VAL 100 HG23 VAL 100 15.245 -4.975 -5.293 789 H GLY 101 HN GLY 101 11.118 -8.228 -4.777 790 1HA GLY 101 HA2 GLY 101 10.570 -10.244 -6.422 791 2HA GLY 101 HA1 GLY 101 11.935 -10.966 -5.572 792 H ASP 102 HN ASP 102 9.507 -8.834 -4.136 793 HA ASP 102 HA ASP 102 8.336 -11.154 -2.675 794 1HB ASP 102 HB2 ASP 102 10.164 -9.126 -1.681 795 2HB ASP 102 HB1 ASP 102 8.636 -9.081 -0.801 796 H ILE 103 HN ILE 103 8.152 -7.733 -3.566 797 HA ILE 103 HA ILE 103 6.272 -6.344 -3.890 798 HB ILE 103 HB ILE 103 4.746 -8.961 -3.780 799 1HG1 ILE 103 HG12 ILE 103 6.487 -7.778 -5.954 800 2HG1 ILE 103 HG11 ILE 103 6.555 -9.404 -5.273 801 1HG2 ILE 103 HG21 ILE 103 4.067 -6.985 -5.821 802 2HG2 ILE 103 HG22 ILE 103 3.932 -6.329 -4.190 803 3HG2 ILE 103 HG23 ILE 103 3.024 -7.773 -4.637 804 1HD1 ILE 103 HD11 ILE 103 4.097 -9.601 -6.159 805 2HD1 ILE 103 HD12 ILE 103 5.431 -9.763 -7.301 806 3HD1 ILE 103 HD13 ILE 103 4.545 -8.242 -7.190 807 H SER 104 HN SER 104 7.071 -7.687 -1.125 808 HA SER 104 HA SER 104 6.339 -7.437 1.109 809 1HB SER 104 HB2 SER 104 6.137 -5.108 0.138 810 2HB SER 104 HB1 SER 104 4.439 -5.454 -0.178 811 HG SER 104 HG SER 104 5.769 -4.976 2.205 812 H ASP 105 HN ASP 105 5.360 -9.492 1.388 813 HA ASP 105 HA ASP 105 3.017 -10.539 0.384 814 1HB ASP 105 HB2 ASP 105 2.810 -11.450 2.872 815 2HB ASP 105 HB1 ASP 105 4.154 -11.941 1.846 816 H ILE 106 HN ILE 106 2.789 -9.221 3.670 817 HA ILE 106 HA ILE 106 0.259 -7.827 2.854 818 HB ILE 106 HB ILE 106 0.630 -8.947 5.608 819 1HG1 ILE 106 HG12 ILE 106 0.120 -10.622 3.128 820 2HG1 ILE 106 HG11 ILE 106 1.423 -10.825 4.299 821 1HG2 ILE 106 HG21 ILE 106 -1.794 -9.339 3.913 822 2HG2 ILE 106 HG22 ILE 106 -1.421 -7.694 4.428 823 3HG2 ILE 106 HG23 ILE 106 -1.676 -8.960 5.631 824 1HD1 ILE 106 HD11 ILE 106 -1.510 -11.418 4.618 825 2HD1 ILE 106 HD12 ILE 106 -0.508 -11.099 6.034 826 3HD1 ILE 106 HD13 ILE 106 -0.126 -12.453 4.970 827 H VAL 107 HN VAL 107 0.055 -5.710 3.642 828 HA VAL 107 HA VAL 107 2.139 -4.782 5.596 829 HB VAL 107 HB VAL 107 1.065 -3.322 3.170 830 1HG1 VAL 107 HG11 VAL 107 2.091 -1.514 4.012 831 2HG1 VAL 107 HG12 VAL 107 3.601 -2.411 4.171 832 3HG1 VAL 107 HG13 VAL 107 2.424 -2.425 5.484 833 1HG2 VAL 107 HG21 VAL 107 3.161 -3.847 2.091 834 2HG2 VAL 107 HG22 VAL 107 2.477 -5.364 2.673 835 3HG2 VAL 107 HG23 VAL 107 3.790 -4.590 3.561 836 H ASP 108 HN ASP 108 0.292 -5.092 7.180 837 HA ASP 108 HA ASP 108 -2.017 -3.283 6.932 838 1HB ASP 108 HB2 ASP 108 -2.528 -4.267 9.182 839 2HB ASP 108 HB1 ASP 108 -2.244 -5.491 7.945 840 H THR 109 HN THR 109 -1.540 -1.094 7.232 841 HA THR 109 HA THR 109 -0.049 -0.376 9.722 842 HB THR 109 HB THR 109 0.882 1.414 7.829 843 HG1 THR 109 HG1 THR 109 1.622 -0.463 6.301 844 1HG2 THR 109 HG21 THR 109 2.988 0.194 8.004 845 2HG2 THR 109 HG22 THR 109 2.136 -1.244 8.568 846 3HG2 THR 109 HG23 THR 109 2.183 0.204 9.574 847 H ASP 110 HN ASP 110 0.020 2.371 9.304 848 HA ASP 110 HA ASP 110 -2.425 3.372 10.122 849 1HB ASP 110 HB2 ASP 110 -1.609 5.518 9.120 850 2HB ASP 110 HB1 ASP 110 -0.336 4.658 9.987 851 H SER 111 HN SER 111 -4.122 4.566 8.872 852 HA SER 111 HA SER 111 -5.648 4.764 7.072 853 1HB SER 111 HB2 SER 111 -3.547 3.462 5.351 854 2HB SER 111 HB1 SER 111 -4.700 4.718 4.914 855 HG SER 111 HG SER 111 -2.225 5.017 5.752 856 H GLY 112 HN GLY 112 -3.753 1.753 6.585 857 1HA GLY 112 HA2 GLY 112 -5.711 -0.067 7.419 858 2HA GLY 112 HA1 GLY 112 -6.048 0.245 5.716 859 H VAL 113 HN VAL 113 -5.341 -1.669 4.784 860 HA VAL 113 HA VAL 113 -2.532 -2.504 5.395 861 HB VAL 113 HB VAL 113 -3.247 -4.718 4.746 862 1HG1 VAL 113 HG11 VAL 113 -5.130 -3.192 6.525 863 2HG1 VAL 113 HG12 VAL 113 -3.945 -4.424 6.956 864 3HG1 VAL 113 HG13 VAL 113 -5.450 -4.887 6.164 865 1HG2 VAL 113 HG21 VAL 113 -5.585 -3.209 3.610 866 2HG2 VAL 113 HG22 VAL 113 -5.767 -4.906 4.056 867 3HG2 VAL 113 HG23 VAL 113 -4.576 -4.436 2.844 868 H HIS 114 HN HIS 114 -1.048 -2.333 3.770 869 HA HIS 114 HA HIS 114 -2.079 -1.737 1.016 870 1HB HIS 114 HB2 HIS 114 0.614 -0.848 1.990 871 2HB HIS 114 HB1 HIS 114 -0.468 -0.053 0.854 872 HD1 HIS 114 HD1 HIS 114 -1.570 1.967 1.800 873 HD2 HIS 114 HD2 HIS 114 -0.641 -0.796 4.781 874 HE1 HIS 114 HE1 HIS 114 -2.245 3.029 3.998 875 H ILE 115 HN ILE 115 0.160 -1.937 -0.439 876 HA ILE 115 HA ILE 115 1.604 -4.450 0.197 877 HB ILE 115 HB ILE 115 0.971 -5.164 -2.236 878 1HG1 ILE 115 HG12 ILE 115 -1.501 -3.542 -1.681 879 2HG1 ILE 115 HG11 ILE 115 -0.137 -2.807 -2.524 880 1HG2 ILE 115 HG21 ILE 115 -0.246 -5.585 0.311 881 2HG2 ILE 115 HG22 ILE 115 -0.206 -6.679 -1.071 882 3HG2 ILE 115 HG23 ILE 115 -1.527 -5.523 -0.898 883 1HD1 ILE 115 HD11 ILE 115 -0.955 -5.489 -3.492 884 2HD1 ILE 115 HD12 ILE 115 -0.447 -4.069 -4.406 885 3HD1 ILE 115 HD13 ILE 115 -2.099 -4.182 -3.798 886 H ILE 116 HN ILE 116 3.665 -3.624 0.003 887 HA ILE 116 HA ILE 116 4.238 -1.586 -2.078 888 HB ILE 116 HB ILE 116 5.642 -2.697 0.345 889 1HG1 ILE 116 HG12 ILE 116 5.386 0.153 0.242 890 2HG1 ILE 116 HG11 ILE 116 3.822 -0.567 -0.146 891 1HG2 ILE 116 HG21 ILE 116 7.413 -0.989 -0.111 892 2HG2 ILE 116 HG22 ILE 116 6.681 -0.708 -1.691 893 3HG2 ILE 116 HG23 ILE 116 7.377 -2.282 -1.309 894 1HD1 ILE 116 HD11 ILE 116 5.424 -1.627 2.164 895 2HD1 ILE 116 HD12 ILE 116 3.683 -1.693 1.899 896 3HD1 ILE 116 HD13 ILE 116 4.447 -0.174 2.367 897 H LYS 117 HN LYS 117 5.966 -1.817 -3.541 898 HA LYS 117 HA LYS 117 7.401 -4.374 -3.793 899 1HB LYS 117 HB2 LYS 117 6.522 -4.400 -6.278 900 2HB LYS 117 HB1 LYS 117 5.505 -5.065 -5.002 901 1HG LYS 117 HG2 LYS 117 3.905 -3.537 -5.403 902 2HG LYS 117 HG1 LYS 117 5.061 -2.217 -5.248 903 1HD LYS 117 HD2 LYS 117 4.065 -2.212 -7.492 904 2HD LYS 117 HD1 LYS 117 5.785 -2.591 -7.589 905 1HE LYS 117 HE2 LYS 117 4.311 -5.040 -7.211 906 2HE LYS 117 HE1 LYS 117 3.638 -4.151 -8.592 907 1HZ LYS 117 HZ1 LYS 117 5.608 -4.173 -9.700 908 2HZ LYS 117 HZ2 LYS 117 5.801 -5.622 -8.833 909 3HZ LYS 117 HZ3 LYS 117 6.545 -4.195 -8.287 910 H ARG 118 HN ARG 118 9.459 -3.751 -4.337 911 HA ARG 118 HA ARG 118 9.935 -1.022 -5.326 912 1HB ARG 118 HB2 ARG 118 11.303 -1.979 -3.553 913 2HB ARG 118 HB1 ARG 118 11.730 -3.350 -4.579 914 1HG ARG 118 HG2 ARG 118 13.490 -2.167 -5.334 915 2HG ARG 118 HG1 ARG 118 12.353 -1.044 -6.080 916 1HD ARG 118 HD2 ARG 118 12.663 0.542 -4.456 917 2HD ARG 118 HD1 ARG 118 12.775 -0.670 -3.163 918 HE ARG 118 HE ARG 118 15.066 -1.197 -4.449 919 1HH1 ARG 118 HH11 ARG 118 14.095 1.302 -2.496 920 2HH1 ARG 118 HH12 ARG 118 15.347 2.407 -2.956 921 1HH2 ARG 118 HH21 ARG 118 16.474 0.448 -5.587 922 2HH2 ARG 118 HH22 ARG 118 16.695 1.922 -4.704 923 H THR 119 HN THR 119 12.082 -3.515 -6.435 924 HA THR 119 HA THR 119 11.363 -2.833 -9.241 925 HB THR 119 HB THR 119 13.766 -4.317 -8.146 926 HG1 THR 119 HG1 THR 119 13.523 -1.545 -8.667 927 1HG2 THR 119 HG21 THR 119 12.910 -3.258 -10.765 928 2HG2 THR 119 HG22 THR 119 14.048 -4.551 -10.391 929 3HG2 THR 119 HG23 THR 119 14.570 -2.868 -10.316 930 H ALA 120 HN ALA 120 13.104 -5.684 -9.206 931 HA ALA 120 HA ALA 120 12.522 -7.946 -9.535 932 1HB ALA 120 HB1 ALA 120 9.777 -7.406 -8.482 933 2HB ALA 120 HB2 ALA 120 11.137 -7.123 -7.395 934 3HB ALA 120 HB3 ALA 120 10.885 -8.723 -8.094 Start of MODEL 6 1 1H HIS 1 HT1 HIS 1 31.950 10.110 2.662 2 2H HIS 1 HT2 HIS 1 33.106 10.089 3.906 3 3H HIS 1 HT3 HIS 1 31.831 11.210 3.946 4 HA HIS 1 HA HIS 1 30.628 8.711 3.768 5 1HB HIS 1 HB2 HIS 1 33.148 8.866 5.387 6 2HB HIS 1 HB1 HIS 1 31.808 7.905 6.012 7 HD1 HIS 1 HD1 HIS 1 31.557 7.806 2.445 8 HD2 HIS 1 HD2 HIS 1 33.929 5.820 5.239 9 HE1 HIS 1 HE1 HIS 1 32.433 5.729 1.293 10 H MET 2 HN MET 2 31.872 11.288 5.879 11 HA MET 2 HA MET 2 29.973 11.134 7.977 12 1HB MET 2 HB2 MET 2 30.563 13.560 8.240 13 2HB MET 2 HB1 MET 2 31.976 12.528 8.020 14 1HG MET 2 HG2 MET 2 32.343 13.263 5.837 15 2HG MET 2 HG1 MET 2 30.665 13.760 5.615 16 1HE MET 2 HE1 MET 2 32.996 16.935 5.295 17 2HE MET 2 HE2 MET 2 32.257 15.584 4.439 18 3HE MET 2 HE3 MET 2 33.781 15.350 5.291 19 H ALA 3 HN ALA 3 29.651 12.336 4.697 20 HA ALA 3 HA ALA 3 26.948 13.448 5.329 21 1HB ALA 3 HB1 ALA 3 29.018 14.541 4.002 22 2HB ALA 3 HB2 ALA 3 27.345 14.903 3.578 23 3HB ALA 3 HB3 ALA 3 28.249 13.703 2.655 24 H SER 4 HN SER 4 26.262 11.060 5.490 25 HA SER 4 HA SER 4 25.548 10.063 2.755 26 1HB SER 4 HB2 SER 4 25.871 7.758 3.918 27 2HB SER 4 HB1 SER 4 27.312 8.658 3.454 28 HG SER 4 HG SER 4 26.150 9.063 5.981 29 H ARG 5 HN ARG 5 23.482 9.099 2.620 30 HA ARG 5 HA ARG 5 21.839 9.022 5.116 31 1HB ARG 5 HB2 ARG 5 20.009 10.042 3.581 32 2HB ARG 5 HB1 ARG 5 21.272 11.119 4.172 33 1HG ARG 5 HG2 ARG 5 21.088 11.586 1.845 34 2HG ARG 5 HG1 ARG 5 22.530 10.586 1.998 35 1HD ARG 5 HD2 ARG 5 21.350 8.622 1.246 36 2HD ARG 5 HD1 ARG 5 19.788 9.459 1.345 37 HE ARG 5 HE ARG 5 20.280 10.322 -0.790 38 1HH1 ARG 5 HH11 ARG 5 22.803 8.459 -0.680 39 2HH1 ARG 5 HH12 ARG 5 24.018 9.592 -1.169 40 1HH2 ARG 5 HH21 ARG 5 21.997 12.370 -0.690 41 2HH2 ARG 5 HH22 ARG 5 23.561 11.808 -1.175 42 H ASP 6 HN ASP 6 19.435 8.235 3.922 43 HA ASP 6 HA ASP 6 20.107 5.878 2.229 44 1HB ASP 6 HB2 ASP 6 19.826 5.797 5.004 45 2HB ASP 6 HB1 ASP 6 18.268 5.237 4.398 46 H GLN 7 HN GLN 7 17.257 6.933 4.097 47 HA GLN 7 HA GLN 7 15.076 7.496 3.360 48 1HB GLN 7 HB2 GLN 7 16.895 8.639 1.604 49 2HB GLN 7 HB1 GLN 7 15.839 7.723 0.528 50 1HG GLN 7 HG2 GLN 7 14.688 9.746 0.689 51 2HG GLN 7 HG1 GLN 7 13.914 8.799 1.959 52 1HE2 GLN 7 HE21 GLN 7 16.607 9.099 3.536 53 2HE2 GLN 7 HE22 GLN 7 16.477 10.647 4.220 54 H VAL 8 HN VAL 8 13.318 6.248 2.551 55 HA VAL 8 HA VAL 8 14.125 3.690 1.200 56 HB VAL 8 HB VAL 8 13.359 3.237 3.401 57 1HG1 VAL 8 HG11 VAL 8 11.209 4.234 4.252 58 2HG1 VAL 8 HG12 VAL 8 11.172 5.249 2.811 59 3HG1 VAL 8 HG13 VAL 8 12.483 5.421 3.978 60 1HG2 VAL 8 HG21 VAL 8 10.736 3.026 1.950 61 2HG2 VAL 8 HG22 VAL 8 11.510 1.859 3.022 62 3HG2 VAL 8 HG23 VAL 8 12.117 2.087 1.382 63 H LYS 9 HN LYS 9 13.633 4.091 -0.991 64 HA LYS 9 HA LYS 9 11.223 5.559 -1.763 65 1HB LYS 9 HB2 LYS 9 13.246 3.872 -3.276 66 2HB LYS 9 HB1 LYS 9 11.935 4.770 -4.040 67 1HG LYS 9 HG2 LYS 9 13.087 6.648 -2.385 68 2HG LYS 9 HG1 LYS 9 14.477 5.756 -2.983 69 1HD LYS 9 HD2 LYS 9 12.467 7.395 -4.504 70 2HD LYS 9 HD1 LYS 9 14.218 7.415 -4.610 71 1HE LYS 9 HE2 LYS 9 13.044 4.825 -5.406 72 2HE LYS 9 HE1 LYS 9 12.551 6.183 -6.426 73 1HZ LYS 9 HZ1 LYS 9 14.555 5.877 -7.365 74 2HZ LYS 9 HZ2 LYS 9 15.179 5.026 -6.035 75 3HZ LYS 9 HZ3 LYS 9 15.143 6.723 -6.020 76 H ALA 10 HN ALA 10 9.413 4.479 -2.997 77 HA ALA 10 HA ALA 10 9.230 1.592 -3.116 78 1HB ALA 10 HB1 ALA 10 7.605 2.834 -0.900 79 2HB ALA 10 HB2 ALA 10 9.234 2.224 -0.611 80 3HB ALA 10 HB3 ALA 10 7.968 1.130 -1.168 81 H SER 11 HN SER 11 7.027 0.823 -3.578 82 HA SER 11 HA SER 11 5.218 2.933 -4.696 83 1HB SER 11 HB2 SER 11 6.512 1.590 -6.391 84 2HB SER 11 HB1 SER 11 5.787 0.128 -5.727 85 HG SER 11 HG SER 11 4.513 0.743 -7.415 86 H HIS 12 HN HIS 12 2.844 1.765 -4.939 87 HA HIS 12 HA HIS 12 2.341 -0.468 -3.173 88 1HB HIS 12 HB2 HIS 12 1.560 0.689 -1.207 89 2HB HIS 12 HB1 HIS 12 3.155 1.325 -1.590 90 HD1 HIS 12 HD1 HIS 12 0.820 2.913 -0.068 91 HD2 HIS 12 HD2 HIS 12 1.885 3.346 -4.075 92 HE1 HIS 12 HE1 HIS 12 0.028 5.212 -0.776 93 H ILE 13 HN ILE 13 -0.010 -0.496 -2.395 94 HA ILE 13 HA ILE 13 -1.950 1.008 -4.044 95 HB ILE 13 HB ILE 13 -1.159 -1.856 -4.429 96 1HG1 ILE 13 HG12 ILE 13 -2.020 0.491 -6.102 97 2HG1 ILE 13 HG11 ILE 13 -0.557 -0.483 -6.230 98 1HG2 ILE 13 HG21 ILE 13 -3.378 -2.488 -5.242 99 2HG2 ILE 13 HG22 ILE 13 -4.007 -0.892 -4.834 100 3HG2 ILE 13 HG23 ILE 13 -3.494 -1.990 -3.554 101 1HD1 ILE 13 HD11 ILE 13 -2.005 -2.423 -6.955 102 2HD1 ILE 13 HD12 ILE 13 -2.001 -1.070 -8.087 103 3HD1 ILE 13 HD13 ILE 13 -3.372 -1.309 -7.004 104 H LEU 14 HN LEU 14 -4.033 0.976 -3.028 105 HA LEU 14 HA LEU 14 -4.094 -0.271 -0.304 106 1HB LEU 14 HB2 LEU 14 -4.257 2.151 -0.334 107 2HB LEU 14 HB1 LEU 14 -5.509 2.094 -1.574 108 HG LEU 14 HG LEU 14 -6.763 0.601 0.206 109 1HD1 LEU 14 HD11 LEU 14 -6.170 0.926 2.446 110 2HD1 LEU 14 HD12 LEU 14 -5.258 2.393 2.090 111 3HD1 LEU 14 HD13 LEU 14 -4.593 0.816 1.663 112 1HD2 LEU 14 HD21 LEU 14 -6.684 3.494 0.957 113 2HD2 LEU 14 HD22 LEU 14 -8.074 2.454 0.650 114 3HD2 LEU 14 HD23 LEU 14 -7.133 3.086 -0.700 115 H ILE 15 HN ILE 15 -6.078 -1.384 0.337 116 HA ILE 15 HA ILE 15 -7.845 -2.114 -1.978 117 HB ILE 15 HB ILE 15 -6.068 -3.764 -0.869 118 1HG1 ILE 15 HG12 ILE 15 -8.842 -4.845 -1.322 119 2HG1 ILE 15 HG11 ILE 15 -7.940 -4.117 -2.652 120 1HG2 ILE 15 HG21 ILE 15 -7.316 -3.321 1.403 121 2HG2 ILE 15 HG22 ILE 15 -6.801 -4.960 1.004 122 3HG2 ILE 15 HG23 ILE 15 -8.483 -4.484 0.773 123 1HD1 ILE 15 HD11 ILE 15 -7.562 -6.714 -1.351 124 2HD1 ILE 15 HD12 ILE 15 -6.069 -5.781 -1.460 125 3HD1 ILE 15 HD13 ILE 15 -6.987 -6.151 -2.920 126 H LYS 16 HN LYS 16 -7.746 -0.669 1.075 127 HA LYS 16 HA LYS 16 -9.472 0.092 2.495 128 1HB LYS 16 HB2 LYS 16 -11.277 -1.003 0.314 129 2HB LYS 16 HB1 LYS 16 -11.665 0.259 1.481 130 1HG LYS 16 HG2 LYS 16 -10.225 1.821 0.462 131 2HG LYS 16 HG1 LYS 16 -9.332 0.569 -0.403 132 1HD LYS 16 HD2 LYS 16 -10.977 0.322 -2.023 133 2HD LYS 16 HD1 LYS 16 -12.262 0.877 -0.951 134 1HE LYS 16 HE2 LYS 16 -11.768 2.586 -2.676 135 2HE LYS 16 HE1 LYS 16 -11.322 3.191 -1.068 136 1HZ LYS 16 HZ1 LYS 16 -9.417 1.721 -2.797 137 2HZ LYS 16 HZ2 LYS 16 -9.075 2.652 -1.418 138 3HZ LYS 16 HZ3 LYS 16 -9.567 3.409 -2.858 139 H HIS 17 HN HIS 17 -10.898 -0.802 4.098 140 HA HIS 17 HA HIS 17 -11.944 -3.488 4.005 141 1HB HIS 17 HB2 HIS 17 -10.284 -4.613 5.350 142 2HB HIS 17 HB1 HIS 17 -9.424 -3.823 4.031 143 HD1 HIS 17 HD1 HIS 17 -10.064 -0.968 5.739 144 HD2 HIS 17 HD2 HIS 17 -7.734 -4.256 6.805 145 HE1 HIS 17 HE1 HIS 17 -8.427 -0.149 7.486 146 H GLN 18 HN GLN 18 -11.164 -3.829 6.941 147 HA GLN 18 HA GLN 18 -13.403 -2.340 8.068 148 1HB GLN 18 HB2 GLN 18 -11.635 -4.551 8.711 149 2HB GLN 18 HB1 GLN 18 -11.837 -3.487 10.104 150 1HG GLN 18 HG2 GLN 18 -14.317 -4.088 8.603 151 2HG GLN 18 HG1 GLN 18 -13.597 -5.458 9.450 152 1HE2 GLN 18 HE21 GLN 18 -13.121 -2.191 10.687 153 2HE2 GLN 18 HE22 GLN 18 -14.130 -2.359 12.042 154 H GLY 19 HN GLY 19 -9.941 -2.452 8.945 155 1HA GLY 19 HA2 GLY 19 -8.549 -0.804 9.873 156 2HA GLY 19 HA1 GLY 19 -9.506 0.349 8.943 157 H SER 20 HN SER 20 -11.121 1.521 9.985 158 HA SER 20 HA SER 20 -11.862 0.846 12.772 159 1HB SER 20 HB2 SER 20 -11.149 3.274 13.363 160 2HB SER 20 HB1 SER 20 -9.878 2.066 13.200 161 HG SER 20 HG SER 20 -10.085 4.313 11.901 162 H ARG 21 HN ARG 21 -11.949 3.681 10.567 163 HA ARG 21 HA ARG 21 -14.721 4.278 11.293 164 1HB ARG 21 HB2 ARG 21 -12.462 5.508 10.003 165 2HB ARG 21 HB1 ARG 21 -13.866 5.649 8.945 166 1HG ARG 21 HG2 ARG 21 -14.889 7.126 10.321 167 2HG ARG 21 HG1 ARG 21 -14.502 6.177 11.757 168 1HD ARG 21 HD2 ARG 21 -13.406 8.515 11.583 169 2HD ARG 21 HD1 ARG 21 -12.314 7.158 11.927 170 HE ARG 21 HE ARG 21 -12.643 7.498 9.080 171 1HH1 ARG 21 HH21 ARG 21 -11.918 10.144 10.738 172 2HH1 ARG 21 HH22 ARG 21 -10.227 10.216 10.370 173 1HH2 ARG 21 HH11 ARG 21 -10.100 6.999 9.082 174 2HH2 ARG 21 HH12 ARG 21 -9.198 8.435 9.434 175 H ARG 22 HN ARG 22 -13.464 4.049 7.974 176 HA ARG 22 HA ARG 22 -15.165 1.770 7.285 177 1HB ARG 22 HB2 ARG 22 -16.735 3.028 5.922 178 2HB ARG 22 HB1 ARG 22 -16.722 3.737 7.536 179 1HG ARG 22 HG2 ARG 22 -15.563 5.635 6.842 180 2HG ARG 22 HG1 ARG 22 -14.854 4.818 5.448 181 1HD ARG 22 HD2 ARG 22 -16.509 5.710 4.182 182 2HD ARG 22 HD1 ARG 22 -17.661 4.697 5.075 183 HE ARG 22 HE ARG 22 -17.974 6.540 6.657 184 1HH1 ARG 22 HH11 ARG 22 -17.236 7.316 3.494 185 2HH1 ARG 22 HH12 ARG 22 -16.829 8.972 3.799 186 1HH2 ARG 22 HH21 ARG 22 -16.929 8.633 7.250 187 2HH2 ARG 22 HH22 ARG 22 -16.656 9.718 5.927 188 H LYS 23 HN LYS 23 -15.412 2.623 4.488 189 HA LYS 23 HA LYS 23 -12.961 1.683 3.417 190 1HB LYS 23 HB2 LYS 23 -15.198 3.397 2.301 191 2HB LYS 23 HB1 LYS 23 -13.922 2.706 1.298 192 1HG LYS 23 HG2 LYS 23 -14.542 0.438 2.148 193 2HG LYS 23 HG1 LYS 23 -15.891 1.171 3.017 194 1HD LYS 23 HD2 LYS 23 -15.454 1.251 0.017 195 2HD LYS 23 HD1 LYS 23 -16.669 0.290 0.863 196 1HE LYS 23 HE2 LYS 23 -16.503 3.325 0.791 197 2HE LYS 23 HE1 LYS 23 -17.757 2.310 0.049 198 1HZ LYS 23 HZ1 LYS 23 -17.147 2.630 2.933 199 2HZ LYS 23 HZ2 LYS 23 -18.097 1.354 2.336 200 3HZ LYS 23 HZ3 LYS 23 -18.607 2.962 2.138 201 H ALA 24 HN ALA 24 -14.051 4.933 2.539 202 HA ALA 24 HA ALA 24 -11.981 6.449 3.792 203 1HB ALA 24 HB1 ALA 24 -11.002 4.687 1.913 204 2HB ALA 24 HB2 ALA 24 -10.182 6.163 2.421 205 3HB ALA 24 HB3 ALA 24 -11.182 6.166 0.969 206 H SER 25 HN SER 25 -11.445 8.406 1.954 207 HA SER 25 HA SER 25 -14.162 9.266 1.006 208 1HB SER 25 HB2 SER 25 -12.638 10.327 3.025 209 2HB SER 25 HB1 SER 25 -12.127 11.309 1.656 210 HG SER 25 HG SER 25 -14.854 10.797 1.992 211 H TRP 26 HN TRP 26 -14.222 10.318 -1.038 212 HA TRP 26 HA TRP 26 -11.628 10.358 -2.541 213 1HB TRP 26 HB2 TRP 26 -13.530 8.533 -2.932 214 2HB TRP 26 HB1 TRP 26 -14.239 9.815 -3.907 215 HD1 TRP 26 HD1 TRP 26 -11.308 7.421 -3.770 216 HE1 TRP 26 HE1 TRP 26 -10.030 7.516 -6.008 217 HE3 TRP 26 HE3 TRP 26 -13.643 11.404 -5.951 218 HZ2 TRP 26 HZ2 TRP 26 -10.004 9.076 -8.408 219 HZ3 TRP 26 HZ3 TRP 26 -12.974 12.172 -8.210 220 HH2 TRP 26 HH2 TRP 26 -11.160 11.015 -9.440 221 H LYS 27 HN LYS 27 -14.920 11.395 -3.484 222 HA LYS 27 HA LYS 27 -14.570 14.200 -3.064 223 1HB LYS 27 HB2 LYS 27 -12.724 13.507 -4.780 224 2HB LYS 27 HB1 LYS 27 -14.055 13.396 -5.929 225 1HG LYS 27 HG2 LYS 27 -13.205 15.618 -6.136 226 2HG LYS 27 HG1 LYS 27 -14.697 15.760 -5.205 227 1HD LYS 27 HD2 LYS 27 -12.875 15.335 -3.211 228 2HD LYS 27 HD1 LYS 27 -11.906 16.245 -4.369 229 1HE LYS 27 HE2 LYS 27 -14.478 17.493 -4.233 230 2HE LYS 27 HE1 LYS 27 -13.885 17.263 -2.575 231 1HZ LYS 27 HZ1 LYS 27 -12.820 19.198 -3.218 232 2HZ LYS 27 HZ2 LYS 27 -12.598 18.678 -4.820 233 3HZ LYS 27 HZ3 LYS 27 -11.651 18.021 -3.571 234 H ASP 28 HN ASP 28 -16.733 12.306 -2.910 235 HA ASP 28 HA ASP 28 -18.833 13.741 -4.227 236 1HB ASP 28 HB2 ASP 28 -17.333 11.891 -5.825 237 2HB ASP 28 HB1 ASP 28 -18.969 11.262 -5.634 238 HA PRO 29 HA PRO 29 -20.645 9.640 -2.547 239 1HB PRO 29 HB2 PRO 29 -18.886 7.715 -1.700 240 2HB PRO 29 HB1 PRO 29 -19.504 7.803 -3.362 241 1HG PRO 29 HG2 PRO 29 -16.893 8.731 -2.263 242 2HG PRO 29 HG1 PRO 29 -17.246 7.918 -3.795 243 1HD PRO 29 HD2 PRO 29 -16.807 10.586 -3.621 244 2HD PRO 29 HD1 PRO 29 -17.882 9.864 -4.840 245 H GLU 30 HN GLU 30 -17.775 8.948 -0.634 246 HA GLU 30 HA GLU 30 -17.375 9.282 1.676 247 1HB GLU 30 HB2 GLU 30 -16.898 11.504 0.766 248 2HB GLU 30 HB1 GLU 30 -18.612 11.918 0.814 249 1HG GLU 30 HG2 GLU 30 -18.627 12.192 3.100 250 2HG GLU 30 HG1 GLU 30 -17.362 10.990 3.358 251 H GLY 31 HN GLY 31 -20.140 8.306 0.736 252 1HA GLY 31 HA2 GLY 31 -21.528 8.879 3.316 253 2HA GLY 31 HA1 GLY 31 -22.421 8.947 1.797 254 H LYS 32 HN LYS 32 -21.044 6.677 0.583 255 HA LYS 32 HA LYS 32 -22.727 4.543 1.400 256 1HB LYS 32 HB2 LYS 32 -20.972 5.093 -0.629 257 2HB LYS 32 HB1 LYS 32 -20.088 3.851 0.259 258 1HG LYS 32 HG2 LYS 32 -21.424 2.650 -1.298 259 2HG LYS 32 HG1 LYS 32 -22.278 2.506 0.238 260 1HD LYS 32 HD2 LYS 32 -23.489 4.705 -0.569 261 2HD LYS 32 HD1 LYS 32 -22.973 4.161 -2.165 262 1HE LYS 32 HE2 LYS 32 -24.142 2.051 -1.899 263 2HE LYS 32 HE1 LYS 32 -24.527 2.432 -0.208 264 1HZ LYS 32 HZ1 LYS 32 -26.014 4.034 -0.798 265 2HZ LYS 32 HZ2 LYS 32 -26.198 3.010 -2.141 266 3HZ LYS 32 HZ3 LYS 32 -25.229 4.400 -2.256 267 H ILE 33 HN ILE 33 -22.676 3.613 3.413 268 HA ILE 33 HA ILE 33 -20.028 3.254 4.764 269 HB ILE 33 HB ILE 33 -21.495 3.033 6.792 270 1HG1 ILE 33 HG12 ILE 33 -23.735 3.887 4.941 271 2HG1 ILE 33 HG11 ILE 33 -23.467 2.201 5.382 272 1HG2 ILE 33 HG21 ILE 33 -20.700 5.215 6.520 273 2HG2 ILE 33 HG22 ILE 33 -22.445 5.471 6.530 274 3HG2 ILE 33 HG23 ILE 33 -21.566 5.446 5.002 275 1HD1 ILE 33 HD11 ILE 33 -24.907 4.118 6.853 276 2HD1 ILE 33 HD12 ILE 33 -23.399 3.885 7.737 277 3HD1 ILE 33 HD13 ILE 33 -24.440 2.504 7.389 278 H ILE 34 HN ILE 34 -20.982 1.473 2.636 279 HA ILE 34 HA ILE 34 -22.126 -0.928 3.785 280 HB ILE 34 HB ILE 34 -20.553 -0.396 1.243 281 1HG1 ILE 34 HG12 ILE 34 -22.587 1.005 1.526 282 2HG1 ILE 34 HG11 ILE 34 -22.773 -0.159 0.213 283 1HG2 ILE 34 HG21 ILE 34 -20.624 -2.667 1.113 284 2HG2 ILE 34 HG22 ILE 34 -22.323 -2.420 0.709 285 3HG2 ILE 34 HG23 ILE 34 -21.857 -2.793 2.368 286 1HD1 ILE 34 HD11 ILE 34 -24.798 -0.253 1.496 287 2HD1 ILE 34 HD12 ILE 34 -23.905 -0.342 3.014 288 3HD1 ILE 34 HD13 ILE 34 -23.883 -1.706 1.896 289 H LEU 35 HN LEU 35 -21.052 -2.428 4.997 290 HA LEU 35 HA LEU 35 -18.157 -2.255 5.397 291 1HB LEU 35 HB2 LEU 35 -20.374 -4.091 6.349 292 2HB LEU 35 HB1 LEU 35 -18.698 -4.262 6.874 293 HG LEU 35 HG LEU 35 -19.169 -1.564 7.230 294 1HD1 LEU 35 HD11 LEU 35 -21.333 -1.148 7.757 295 2HD1 LEU 35 HD12 LEU 35 -21.487 -2.653 8.663 296 3HD1 LEU 35 HD13 LEU 35 -21.693 -2.653 6.912 297 1HD2 LEU 35 HD21 LEU 35 -18.468 -3.814 8.742 298 2HD2 LEU 35 HD22 LEU 35 -19.846 -3.121 9.597 299 3HD2 LEU 35 HD23 LEU 35 -18.418 -2.136 9.282 300 H THR 36 HN THR 36 -16.631 -3.859 4.750 301 HA THR 36 HA THR 36 -17.569 -6.086 3.023 302 HB THR 36 HB THR 36 -17.283 -4.043 1.612 303 HG1 THR 36 HG1 THR 36 -16.239 -5.141 0.079 304 1HG2 THR 36 HG21 THR 36 -15.501 -2.682 1.834 305 2HG2 THR 36 HG22 THR 36 -14.374 -4.035 1.722 306 3HG2 THR 36 HG23 THR 36 -15.085 -3.605 3.278 307 H THR 37 HN THR 37 -14.544 -5.930 2.098 308 HA THR 37 HA THR 37 -13.418 -8.001 3.500 309 HB THR 37 HB THR 37 -12.333 -5.471 2.287 310 HG1 THR 37 HG1 THR 37 -11.631 -6.933 0.765 311 1HG2 THR 37 HG21 THR 37 -10.785 -5.969 4.129 312 2HG2 THR 37 HG22 THR 37 -10.034 -6.345 2.578 313 3HG2 THR 37 HG23 THR 37 -10.667 -7.644 3.590 314 H THR 38 HN THR 38 -12.356 -8.282 5.491 315 HA THR 38 HA THR 38 -12.497 -5.961 7.389 316 HB THR 38 HB THR 38 -12.755 -7.865 9.090 317 HG1 THR 38 HG1 THR 38 -13.519 -9.817 8.090 318 1HG2 THR 38 HG21 THR 38 -14.640 -6.692 7.261 319 2HG2 THR 38 HG22 THR 38 -14.893 -7.193 8.933 320 3HG2 THR 38 HG23 THR 38 -15.131 -8.347 7.621 321 H ARG 39 HN ARG 39 -10.948 -6.518 9.366 322 HA ARG 39 HA ARG 39 -8.298 -6.209 8.727 323 1HB ARG 39 HB2 ARG 39 -9.835 -6.783 10.983 324 2HB ARG 39 HB1 ARG 39 -8.637 -8.077 10.946 325 1HG ARG 39 HG2 ARG 39 -7.766 -5.237 10.499 326 2HG ARG 39 HG1 ARG 39 -8.047 -5.818 12.141 327 1HD ARG 39 HD2 ARG 39 -6.560 -7.878 11.184 328 2HD ARG 39 HD1 ARG 39 -5.883 -6.537 10.237 329 HE ARG 39 HE ARG 39 -5.882 -5.368 12.629 330 1HH1 ARG 39 HH21 ARG 39 -6.375 -8.353 13.542 331 2HH1 ARG 39 HH22 ARG 39 -4.784 -8.732 14.113 332 1HH2 ARG 39 HH11 ARG 39 -3.303 -5.972 12.624 333 2HH2 ARG 39 HH12 ARG 39 -3.045 -7.384 13.594 334 H GLU 40 HN GLU 40 -9.284 -9.435 9.865 335 HA GLU 40 HA GLU 40 -7.139 -10.892 8.813 336 1HB GLU 40 HB2 GLU 40 -8.904 -11.705 10.365 337 2HB GLU 40 HB1 GLU 40 -10.059 -11.698 9.034 338 1HG GLU 40 HG2 GLU 40 -9.013 -13.487 7.943 339 2HG GLU 40 HG1 GLU 40 -7.477 -13.216 8.767 340 H ALA 41 HN ALA 41 -10.377 -10.732 7.299 341 HA ALA 41 HA ALA 41 -9.874 -11.903 4.852 342 1HB ALA 41 HB1 ALA 41 -11.983 -11.138 4.592 343 2HB ALA 41 HB2 ALA 41 -11.380 -9.488 4.437 344 3HB ALA 41 HB3 ALA 41 -11.769 -10.138 6.029 345 H ALA 42 HN ALA 42 -9.114 -8.537 5.743 346 HA ALA 42 HA ALA 42 -8.193 -7.575 3.263 347 1HB ALA 42 HB1 ALA 42 -8.160 -6.838 5.993 348 2HB ALA 42 HB2 ALA 42 -7.733 -5.820 4.618 349 3HB ALA 42 HB3 ALA 42 -6.485 -6.745 5.451 350 H VAL 43 HN VAL 43 -5.994 -8.751 5.831 351 HA VAL 43 HA VAL 43 -3.688 -9.052 4.287 352 HB VAL 43 HB VAL 43 -4.615 -11.049 6.370 353 1HG1 VAL 43 HG11 VAL 43 -2.369 -11.189 5.030 354 2HG1 VAL 43 HG12 VAL 43 -2.339 -11.407 6.780 355 3HG1 VAL 43 HG13 VAL 43 -1.870 -9.860 6.076 356 1HG2 VAL 43 HG21 VAL 43 -3.989 -8.146 6.592 357 2HG2 VAL 43 HG22 VAL 43 -3.284 -9.199 7.817 358 3HG2 VAL 43 HG23 VAL 43 -5.033 -9.149 7.599 359 H GLU 44 HN GLU 44 -6.413 -11.313 4.627 360 HA GLU 44 HA GLU 44 -5.340 -13.426 3.013 361 1HB GLU 44 HB2 GLU 44 -7.979 -12.491 4.034 362 2HB GLU 44 HB1 GLU 44 -8.019 -13.616 2.676 363 1HG GLU 44 HG2 GLU 44 -6.817 -15.281 3.887 364 2HG GLU 44 HG1 GLU 44 -6.357 -14.135 5.147 365 H GLN 45 HN GLN 45 -7.693 -10.871 2.195 366 HA GLN 45 HA GLN 45 -7.808 -11.260 -0.601 367 1HB GLN 45 HB2 GLN 45 -8.397 -9.196 1.399 368 2HB GLN 45 HB1 GLN 45 -7.957 -8.504 -0.160 369 1HG GLN 45 HG2 GLN 45 -10.141 -10.538 0.374 370 2HG GLN 45 HG1 GLN 45 -10.356 -8.866 -0.145 371 1HE2 GLN 45 HE21 GLN 45 -9.814 -12.100 -1.262 372 2HE2 GLN 45 HE22 GLN 45 -9.606 -11.725 -2.904 373 H LEU 46 HN LEU 46 -5.415 -9.682 1.431 374 HA LEU 46 HA LEU 46 -3.894 -8.513 -0.773 375 1HB LEU 46 HB2 LEU 46 -3.802 -8.745 2.186 376 2HB LEU 46 HB1 LEU 46 -2.242 -8.538 1.390 377 HG LEU 46 HG LEU 46 -3.343 -6.370 2.021 378 1HD1 LEU 46 HD11 LEU 46 -3.348 -6.317 -0.939 379 2HD1 LEU 46 HD12 LEU 46 -1.898 -6.996 -0.198 380 3HD1 LEU 46 HD13 LEU 46 -2.409 -5.357 0.204 381 1HD2 LEU 46 HD21 LEU 46 -5.656 -6.794 1.702 382 2HD2 LEU 46 HD22 LEU 46 -5.399 -7.438 0.081 383 3HD2 LEU 46 HD23 LEU 46 -5.224 -5.710 0.380 384 H LYS 47 HN LYS 47 -3.842 -11.493 1.119 385 HA LYS 47 HA LYS 47 -1.264 -12.475 0.450 386 1HB LYS 47 HB2 LYS 47 -3.647 -13.346 1.697 387 2HB LYS 47 HB1 LYS 47 -3.320 -14.527 0.428 388 1HG LYS 47 HG2 LYS 47 -2.056 -15.394 2.181 389 2HG LYS 47 HG1 LYS 47 -0.855 -14.398 1.357 390 1HD LYS 47 HD2 LYS 47 -0.549 -13.536 3.454 391 2HD LYS 47 HD1 LYS 47 -1.936 -12.543 3.005 392 1HE LYS 47 HE2 LYS 47 -2.567 -13.440 5.106 393 2HE LYS 47 HE1 LYS 47 -3.354 -14.538 3.954 394 1HZ LYS 47 HZ1 LYS 47 -0.576 -15.021 4.813 395 2HZ LYS 47 HZ2 LYS 47 -1.712 -16.125 4.200 396 3HZ LYS 47 HZ3 LYS 47 -1.862 -15.541 5.788 397 H SER 48 HN SER 48 -4.392 -12.961 -1.197 398 HA SER 48 HA SER 48 -3.400 -14.389 -3.472 399 1HB SER 48 HB2 SER 48 -5.610 -14.278 -4.078 400 2HB SER 48 HB1 SER 48 -5.825 -13.639 -2.450 401 HG SER 48 HG SER 48 -5.567 -11.542 -3.346 402 H ILE 49 HN ILE 49 -3.695 -10.932 -2.742 403 HA ILE 49 HA ILE 49 -3.259 -9.796 -5.258 404 HB ILE 49 HB ILE 49 -3.010 -9.100 -2.467 405 1HG1 ILE 49 HG12 ILE 49 -4.594 -8.100 -4.048 406 2HG1 ILE 49 HG11 ILE 49 -3.564 -6.849 -3.351 407 1HG2 ILE 49 HG21 ILE 49 -0.620 -8.898 -2.745 408 2HG2 ILE 49 HG22 ILE 49 -1.294 -7.270 -2.772 409 3HG2 ILE 49 HG23 ILE 49 -0.820 -8.050 -4.278 410 1HD1 ILE 49 HD11 ILE 49 -2.598 -8.138 -5.855 411 2HD1 ILE 49 HD12 ILE 49 -2.458 -6.461 -5.327 412 3HD1 ILE 49 HD13 ILE 49 -3.978 -7.050 -6.001 413 H ARG 50 HN ARG 50 -0.787 -11.016 -2.976 414 HA ARG 50 HA ARG 50 1.517 -10.559 -4.569 415 1HB ARG 50 HB2 ARG 50 1.437 -11.381 -2.198 416 2HB ARG 50 HB1 ARG 50 0.846 -12.935 -2.784 417 1HG ARG 50 HG2 ARG 50 3.166 -12.278 -4.301 418 2HG ARG 50 HG1 ARG 50 3.556 -12.026 -2.599 419 1HD ARG 50 HD2 ARG 50 2.140 -14.407 -2.537 420 2HD ARG 50 HD1 ARG 50 3.082 -14.543 -4.035 421 HE ARG 50 HE ARG 50 4.772 -13.460 -2.008 422 1HH1 ARG 50 HH11 ARG 50 2.882 -15.966 -1.164 423 2HH1 ARG 50 HH12 ARG 50 4.114 -17.183 -1.137 424 1HH2 ARG 50 HH21 ARG 50 6.483 -15.198 -2.707 425 2HH2 ARG 50 HH22 ARG 50 6.151 -16.749 -2.013 426 H GLU 51 HN GLU 51 -0.715 -13.325 -4.452 427 HA GLU 51 HA GLU 51 0.483 -14.876 -6.559 428 1HB GLU 51 HB2 GLU 51 -1.019 -16.117 -5.348 429 2HB GLU 51 HB1 GLU 51 -1.969 -14.716 -4.909 430 1HG GLU 51 HG2 GLU 51 -3.182 -16.403 -6.336 431 2HG GLU 51 HG1 GLU 51 -3.151 -14.774 -7.004 432 H ASP 52 HN ASP 52 -2.517 -12.962 -6.603 433 HA ASP 52 HA ASP 52 -2.973 -12.856 -9.363 434 1HB ASP 52 HB2 ASP 52 -3.375 -10.958 -7.055 435 2HB ASP 52 HB1 ASP 52 -3.824 -10.444 -8.680 436 H ILE 53 HN ILE 53 -0.997 -10.588 -7.422 437 HA ILE 53 HA ILE 53 0.070 -9.056 -9.585 438 HB ILE 53 HB ILE 53 1.197 -9.845 -6.876 439 1HG1 ILE 53 HG12 ILE 53 -1.080 -8.604 -7.099 440 2HG1 ILE 53 HG11 ILE 53 0.129 -7.926 -6.010 441 1HG2 ILE 53 HG21 ILE 53 2.075 -7.845 -8.951 442 2HG2 ILE 53 HG22 ILE 53 3.054 -8.991 -8.036 443 3HG2 ILE 53 HG23 ILE 53 2.402 -7.558 -7.242 444 1HD1 ILE 53 HD11 ILE 53 -1.123 -6.439 -7.860 445 2HD1 ILE 53 HD12 ILE 53 0.215 -7.028 -8.847 446 3HD1 ILE 53 HD13 ILE 53 0.541 -6.122 -7.369 447 H VAL 54 HN VAL 54 0.863 -12.180 -8.215 448 HA VAL 54 HA VAL 54 3.412 -12.520 -9.552 449 HB VAL 54 HB VAL 54 1.488 -14.064 -7.892 450 1HG1 VAL 54 HG11 VAL 54 3.162 -16.090 -8.426 451 2HG1 VAL 54 HG12 VAL 54 3.145 -15.323 -10.015 452 3HG1 VAL 54 HG13 VAL 54 1.637 -15.877 -9.286 453 1HG2 VAL 54 HG21 VAL 54 4.136 -14.754 -7.327 454 2HG2 VAL 54 HG22 VAL 54 3.146 -13.572 -6.469 455 3HG2 VAL 54 HG23 VAL 54 4.197 -13.052 -7.787 456 H SER 55 HN SER 55 0.255 -14.142 -10.088 457 HA SER 55 HA SER 55 1.074 -14.676 -12.904 458 1HB SER 55 HB2 SER 55 -1.517 -15.690 -12.138 459 2HB SER 55 HB1 SER 55 -0.064 -16.587 -12.562 460 HG SER 55 HG SER 55 -0.898 -15.612 -10.046 461 H GLY 56 HN GLY 56 0.009 -13.708 -14.634 462 1HA GLY 56 HA2 GLY 56 -1.833 -12.585 -15.697 463 2HA GLY 56 HA1 GLY 56 -2.463 -12.171 -14.100 464 H LYS 57 HN LYS 57 -0.840 -10.951 -16.750 465 HA LYS 57 HA LYS 57 0.976 -9.078 -15.536 466 1HB LYS 57 HB2 LYS 57 0.907 -9.864 -17.926 467 2HB LYS 57 HB1 LYS 57 -0.550 -8.895 -18.152 468 1HG LYS 57 HG2 LYS 57 1.314 -7.175 -16.925 469 2HG LYS 57 HG1 LYS 57 2.216 -8.045 -18.167 470 1HD LYS 57 HD2 LYS 57 0.371 -7.484 -19.790 471 2HD LYS 57 HD1 LYS 57 -0.333 -6.452 -18.544 472 1HE LYS 57 HE2 LYS 57 1.019 -4.801 -19.332 473 2HE LYS 57 HE1 LYS 57 2.373 -5.705 -18.625 474 1HZ LYS 57 HZ1 LYS 57 2.269 -5.240 -21.195 475 2HZ LYS 57 HZ2 LYS 57 1.275 -6.617 -21.184 476 3HZ LYS 57 HZ3 LYS 57 2.866 -6.710 -20.598 477 H ALA 58 HN ALA 58 -1.129 -8.827 -13.880 478 HA ALA 58 HA ALA 58 -3.215 -7.012 -14.504 479 1HB ALA 58 HB1 ALA 58 -3.277 -6.790 -12.052 480 2HB ALA 58 HB2 ALA 58 -1.650 -7.464 -11.950 481 3HB ALA 58 HB3 ALA 58 -2.986 -8.467 -12.516 482 H ASN 59 HN ASN 59 0.146 -6.467 -14.229 483 HA ASN 59 HA ASN 59 1.424 -4.499 -14.464 484 1HB ASN 59 HB2 ASN 59 -0.542 -4.041 -16.030 485 2HB ASN 59 HB1 ASN 59 -1.257 -3.131 -14.704 486 1HD2 ASN 59 HD21 ASN 59 1.591 -3.243 -16.857 487 2HD2 ASN 59 HD22 ASN 59 2.013 -1.612 -16.652 488 H PHE 60 HN PHE 60 -0.399 -2.005 -13.360 489 HA PHE 60 HA PHE 60 -0.571 -2.523 -10.530 490 1HB PHE 60 HB2 PHE 60 1.953 -2.588 -11.242 491 2HB PHE 60 HB1 PHE 60 1.799 -0.832 -11.273 492 HD1 PHE 60 HD1 PHE 60 2.013 0.394 -9.290 493 HD2 PHE 60 HD2 PHE 60 1.082 -3.795 -9.095 494 HE1 PHE 60 HE1 PHE 60 2.230 0.462 -6.820 495 HE2 PHE 60 HE2 PHE 60 1.299 -3.727 -6.625 496 HZ PHE 60 HZ PHE 60 1.874 -1.600 -5.488 497 H GLU 61 HN GLU 61 0.546 0.163 -12.606 498 HA GLU 61 HA GLU 61 -0.523 2.340 -11.278 499 1HB GLU 61 HB2 GLU 61 0.178 1.596 -14.024 500 2HB GLU 61 HB1 GLU 61 -1.040 2.870 -13.956 501 1HG GLU 61 HG2 GLU 61 0.809 3.573 -11.980 502 2HG GLU 61 HG1 GLU 61 1.797 3.009 -13.328 503 H GLU 62 HN GLU 62 -2.324 1.391 -14.173 504 HA GLU 62 HA GLU 62 -4.796 2.425 -13.562 505 1HB GLU 62 HB2 GLU 62 -3.692 0.290 -15.202 506 2HB GLU 62 HB1 GLU 62 -5.330 -0.104 -14.679 507 1HG GLU 62 HG2 GLU 62 -6.262 1.546 -15.937 508 2HG GLU 62 HG1 GLU 62 -4.969 2.687 -15.569 509 H VAL 63 HN VAL 63 -3.658 -0.817 -12.539 510 HA VAL 63 HA VAL 63 -5.979 -1.599 -11.102 511 HB VAL 63 HB VAL 63 -3.091 -2.160 -10.372 512 1HG1 VAL 63 HG11 VAL 63 -3.917 -4.226 -9.520 513 2HG1 VAL 63 HG12 VAL 63 -5.481 -4.011 -10.307 514 3HG1 VAL 63 HG13 VAL 63 -5.039 -2.999 -8.932 515 1HG2 VAL 63 HG21 VAL 63 -3.038 -2.625 -12.652 516 2HG2 VAL 63 HG22 VAL 63 -4.754 -3.026 -12.714 517 3HG2 VAL 63 HG23 VAL 63 -3.606 -4.168 -12.015 518 H ALA 64 HN ALA 64 -3.110 0.230 -10.051 519 HA ALA 64 HA ALA 64 -3.965 0.545 -7.309 520 1HB ALA 64 HB1 ALA 64 -1.643 0.763 -7.985 521 2HB ALA 64 HB2 ALA 64 -2.176 2.331 -7.381 522 3HB ALA 64 HB3 ALA 64 -2.050 2.051 -9.118 523 H THR 65 HN THR 65 -3.981 2.806 -10.096 524 HA THR 65 HA THR 65 -5.142 5.064 -9.034 525 HB THR 65 HB THR 65 -6.502 4.741 -11.398 526 HG1 THR 65 HG1 THR 65 -5.853 2.862 -12.083 527 1HG2 THR 65 HG21 THR 65 -3.687 5.264 -11.883 528 2HG2 THR 65 HG22 THR 65 -4.262 6.114 -10.449 529 3HG2 THR 65 HG23 THR 65 -5.061 6.363 -12.002 530 H ARG 66 HN ARG 66 -6.826 2.027 -9.814 531 HA ARG 66 HA ARG 66 -9.449 3.088 -9.016 532 1HB ARG 66 HB2 ARG 66 -8.984 1.375 -10.823 533 2HB ARG 66 HB1 ARG 66 -8.543 0.242 -9.545 534 1HG ARG 66 HG2 ARG 66 -11.175 1.668 -9.367 535 2HG ARG 66 HG1 ARG 66 -11.018 0.302 -10.472 536 1HD ARG 66 HD2 ARG 66 -10.902 -1.217 -8.765 537 2HD ARG 66 HD1 ARG 66 -9.898 -0.152 -7.763 538 HE ARG 66 HE ARG 66 -12.055 1.192 -7.397 539 1HH1 ARG 66 HH21 ARG 66 -11.697 -1.925 -6.531 540 2HH1 ARG 66 HH22 ARG 66 -13.373 -2.361 -6.557 541 1HH2 ARG 66 HH11 ARG 66 -14.379 0.541 -8.161 542 2HH2 ARG 66 HH12 ARG 66 -14.890 -0.967 -7.479 543 H VAL 67 HN VAL 67 -7.398 0.419 -7.839 544 HA VAL 67 HA VAL 67 -8.729 0.551 -5.187 545 HB VAL 67 HB VAL 67 -8.401 -1.584 -6.459 546 1HG1 VAL 67 HG11 VAL 67 -5.737 -0.498 -6.689 547 2HG1 VAL 67 HG12 VAL 67 -6.433 -1.900 -7.503 548 3HG1 VAL 67 HG13 VAL 67 -5.670 -2.085 -5.924 549 1HG2 VAL 67 HG21 VAL 67 -6.587 -2.061 -4.206 550 2HG2 VAL 67 HG22 VAL 67 -8.204 -2.702 -4.500 551 3HG2 VAL 67 HG23 VAL 67 -8.006 -1.115 -3.758 552 H SER 68 HN SER 68 -7.413 2.824 -5.250 553 HA SER 68 HA SER 68 -4.721 2.332 -4.009 554 1HB SER 68 HB2 SER 68 -4.521 4.827 -4.900 555 2HB SER 68 HB1 SER 68 -4.272 3.458 -5.981 556 HG SER 68 HG SER 68 -6.814 4.625 -5.539 557 H ASP 69 HN ASP 69 -4.062 4.149 -2.513 558 HA ASP 69 HA ASP 69 -6.131 4.672 -0.530 559 1HB ASP 69 HB2 ASP 69 -3.609 4.201 -0.241 560 2HB ASP 69 HB1 ASP 69 -3.372 5.888 -0.700 561 H CYS 70 HN CYS 70 -7.461 5.881 -2.287 562 HA CYS 70 HA CYS 70 -8.167 7.900 -3.292 563 1HB CYS 70 HB2 CYS 70 -8.792 8.195 -0.978 564 2HB CYS 70 HB1 CYS 70 -7.145 8.649 -0.541 565 HG CYS 70 HG CYS 70 -7.668 10.978 -1.182 566 H SER 71 HN SER 71 -5.795 9.706 -1.453 567 HA SER 71 HA SER 71 -4.730 11.203 -3.563 568 1HB SER 71 HB2 SER 71 -4.355 11.424 -1.076 569 2HB SER 71 HB1 SER 71 -3.248 10.067 -1.171 570 HG SER 71 HG SER 71 -1.925 11.271 -2.503 571 H SER 72 HN SER 72 -3.650 8.091 -2.273 572 HA SER 72 HA SER 72 -1.440 7.612 -3.972 573 1HB SER 72 HB2 SER 72 -1.825 6.127 -2.170 574 2HB SER 72 HB1 SER 72 -3.514 5.899 -2.608 575 HG SER 72 HG SER 72 -2.942 4.402 -3.983 576 H ALA 73 HN ALA 73 -4.933 7.271 -4.563 577 HA ALA 73 HA ALA 73 -4.904 5.838 -6.997 578 1HB ALA 73 HB1 ALA 73 -6.995 7.033 -7.446 579 2HB ALA 73 HB2 ALA 73 -6.536 8.315 -6.325 580 3HB ALA 73 HB3 ALA 73 -6.904 6.701 -5.716 581 H LYS 74 HN LYS 74 -4.365 9.294 -6.360 582 HA LYS 74 HA LYS 74 -3.826 10.079 -9.075 583 1HB LYS 74 HB2 LYS 74 -4.309 11.529 -7.045 584 2HB LYS 74 HB1 LYS 74 -2.673 11.182 -6.483 585 1HG LYS 74 HG2 LYS 74 -2.755 12.044 -9.284 586 2HG LYS 74 HG1 LYS 74 -3.386 13.262 -8.175 587 1HD LYS 74 HD2 LYS 74 -0.902 11.908 -7.294 588 2HD LYS 74 HD1 LYS 74 -0.737 12.951 -8.708 589 1HE LYS 74 HE2 LYS 74 -2.346 14.426 -6.943 590 2HE LYS 74 HE1 LYS 74 -1.083 13.711 -5.921 591 1HZ LYS 74 HZ1 LYS 74 0.589 14.472 -7.455 592 2HZ LYS 74 HZ2 LYS 74 -0.360 15.799 -6.982 593 3HZ LYS 74 HZ3 LYS 74 -0.588 15.088 -8.508 594 H ARG 75 HN ARG 75 -1.951 8.582 -6.526 595 HA ARG 75 HA ARG 75 0.471 8.444 -8.294 596 1HB ARG 75 HB2 ARG 75 -0.039 8.559 -5.324 597 2HB ARG 75 HB1 ARG 75 1.463 7.857 -5.924 598 1HG ARG 75 HG2 ARG 75 2.307 9.875 -6.479 599 2HG ARG 75 HG1 ARG 75 0.793 10.403 -7.213 600 1HD ARG 75 HD2 ARG 75 -0.108 11.074 -5.090 601 2HD ARG 75 HD1 ARG 75 1.207 10.269 -4.209 602 HE ARG 75 HE ARG 75 1.840 12.470 -6.126 603 1HH1 ARG 75 HH11 ARG 75 1.090 11.960 -2.892 604 2HH1 ARG 75 HH12 ARG 75 2.514 12.718 -2.261 605 1HH2 ARG 75 HH21 ARG 75 4.025 13.063 -5.363 606 2HH2 ARG 75 HH22 ARG 75 4.177 13.341 -3.660 607 H GLY 76 HN GLY 76 -1.717 6.665 -8.698 608 1HA GLY 76 HA2 GLY 76 -1.789 4.264 -7.287 609 2HA GLY 76 HA1 GLY 76 -2.067 4.366 -9.030 610 H GLY 77 HN GLY 77 0.681 5.549 -9.306 611 1HA GLY 77 HA2 GLY 77 2.066 3.078 -9.871 612 2HA GLY 77 HA1 GLY 77 2.780 4.689 -9.949 613 H ASP 78 HN ASP 78 3.995 5.425 -8.205 614 HA ASP 78 HA ASP 78 4.030 3.740 -5.750 615 1HB ASP 78 HB2 ASP 78 6.456 3.510 -5.941 616 2HB ASP 78 HB1 ASP 78 5.713 2.951 -7.441 617 H LEU 79 HN LEU 79 5.381 4.803 -4.012 618 HA LEU 79 HA LEU 79 4.650 7.569 -3.638 619 1HB LEU 79 HB2 LEU 79 6.504 5.582 -2.302 620 2HB LEU 79 HB1 LEU 79 6.358 7.234 -1.707 621 HG LEU 79 HG LEU 79 3.952 6.930 -1.380 622 1HD1 LEU 79 HD11 LEU 79 3.006 4.608 -1.664 623 2HD1 LEU 79 HD12 LEU 79 4.500 4.160 -2.486 624 3HD1 LEU 79 HD13 LEU 79 3.444 5.389 -3.183 625 1HD2 LEU 79 HD21 LEU 79 4.264 5.917 0.634 626 2HD2 LEU 79 HD22 LEU 79 5.957 5.827 0.146 627 3HD2 LEU 79 HD23 LEU 79 4.892 4.444 -0.103 628 H GLY 80 HN GLY 80 7.941 6.353 -3.385 629 1HA GLY 80 HA2 GLY 80 9.392 7.246 -5.444 630 2HA GLY 80 HA1 GLY 80 9.007 8.780 -4.678 631 H SER 81 HN SER 81 9.859 9.242 -2.602 632 HA SER 81 HA SER 81 11.673 7.236 -1.388 633 1HB SER 81 HB2 SER 81 13.612 8.430 -1.804 634 2HB SER 81 HB1 SER 81 12.702 8.748 -3.277 635 HG SER 81 HG SER 81 13.108 10.400 -1.024 636 H PHE 82 HN PHE 82 11.620 7.440 0.818 637 HA PHE 82 HA PHE 82 11.275 10.045 2.122 638 1HB PHE 82 HB2 PHE 82 9.146 9.250 3.250 639 2HB PHE 82 HB1 PHE 82 8.980 9.571 1.525 640 HD1 PHE 82 HD1 PHE 82 9.337 7.535 -0.082 641 HD2 PHE 82 HD2 PHE 82 8.522 7.169 4.118 642 HE1 PHE 82 HE1 PHE 82 8.588 5.205 -0.433 643 HE2 PHE 82 HE2 PHE 82 7.764 4.838 3.765 644 HZ PHE 82 HZ PHE 82 7.801 3.856 1.486 645 H GLY 83 HN GLY 83 13.047 9.658 3.472 646 1HA GLY 83 HA2 GLY 83 13.485 7.045 4.693 647 2HA GLY 83 HA1 GLY 83 14.423 8.505 5.010 648 H ARG 84 HN ARG 84 13.993 9.638 6.869 649 HA ARG 84 HA ARG 84 12.032 8.493 8.745 650 1HB ARG 84 HB2 ARG 84 13.808 10.924 9.078 651 2HB ARG 84 HB1 ARG 84 13.184 9.862 10.340 652 1HG ARG 84 HG2 ARG 84 15.242 9.171 8.227 653 2HG ARG 84 HG1 ARG 84 15.499 9.275 9.969 654 1HD ARG 84 HD2 ARG 84 13.817 7.227 8.486 655 2HD ARG 84 HD1 ARG 84 15.264 6.929 9.470 656 HE ARG 84 HE ARG 84 12.595 7.699 10.526 657 1HH1 ARG 84 HH11 ARG 84 14.609 9.076 12.158 658 2HH1 ARG 84 HH12 ARG 84 15.037 7.890 13.345 659 1HH2 ARG 84 HH21 ARG 84 13.703 5.236 11.556 660 2HH2 ARG 84 HH22 ARG 84 14.523 5.714 13.004 661 H GLY 85 HN GLY 85 10.102 9.150 7.437 662 1HA GLY 85 HA2 GLY 85 8.782 11.429 8.429 663 2HA GLY 85 HA1 GLY 85 9.507 11.911 6.894 664 H GLN 86 HN GLN 86 6.899 12.066 6.710 665 HA GLN 86 HA GLN 86 5.001 11.229 5.558 666 1HB GLN 86 HB2 GLN 86 6.933 9.176 4.465 667 2HB GLN 86 HB1 GLN 86 5.568 9.925 3.643 668 1HG GLN 86 HG2 GLN 86 7.988 11.477 4.563 669 2HG GLN 86 HG1 GLN 86 7.859 10.749 2.967 670 1HE2 GLN 86 HE21 GLN 86 7.557 13.692 4.324 671 2HE2 GLN 86 HE22 GLN 86 6.281 14.337 3.408 672 H MET 87 HN MET 87 5.432 8.168 4.819 673 HA MET 87 HA MET 87 3.669 6.768 6.249 674 1HB MET 87 HB2 MET 87 6.362 6.298 5.116 675 2HB MET 87 HB1 MET 87 5.780 5.028 6.204 676 1HG MET 87 HG2 MET 87 5.141 4.647 3.806 677 2HG MET 87 HG1 MET 87 3.752 4.762 4.886 678 1HE MET 87 HE1 MET 87 5.751 6.573 1.911 679 2HE MET 87 HE2 MET 87 6.276 7.173 3.481 680 3HE MET 87 HE3 MET 87 5.404 8.241 2.386 681 H GLN 88 HN GLN 88 3.268 6.405 8.406 682 HA GLN 88 HA GLN 88 4.888 7.433 10.512 683 1HB GLN 88 HB2 GLN 88 2.723 5.308 10.422 684 2HB GLN 88 HB1 GLN 88 3.308 6.061 11.906 685 1HG GLN 88 HG2 GLN 88 2.338 8.099 11.422 686 2HG GLN 88 HG1 GLN 88 2.438 7.852 9.678 687 1HE2 GLN 88 HE21 GLN 88 0.921 6.053 8.812 688 2HE2 GLN 88 HE22 GLN 88 -0.599 5.900 9.553 689 H LYS 89 HN LYS 89 4.456 4.644 11.963 690 HA LYS 89 HA LYS 89 7.227 3.736 11.452 691 1HB LYS 89 HB2 LYS 89 5.177 3.147 13.602 692 2HB LYS 89 HB1 LYS 89 6.837 2.551 13.610 693 1HG LYS 89 HG2 LYS 89 7.369 5.144 13.235 694 2HG LYS 89 HG1 LYS 89 5.816 5.318 14.054 695 1HD LYS 89 HD2 LYS 89 6.579 4.233 16.000 696 2HD LYS 89 HD1 LYS 89 7.949 3.501 15.163 697 1HE LYS 89 HE2 LYS 89 8.587 5.453 16.643 698 2HE LYS 89 HE1 LYS 89 9.031 5.686 14.940 699 1HZ LYS 89 HZ1 LYS 89 6.464 6.588 16.130 700 2HZ LYS 89 HZ2 LYS 89 7.030 6.909 14.561 701 3HZ LYS 89 HZ3 LYS 89 7.806 7.599 15.906 702 HA PRO 90 HA PRO 90 4.588 -0.247 10.874 703 1HB PRO 90 HB2 PRO 90 2.225 0.074 9.532 704 2HB PRO 90 HB1 PRO 90 2.350 0.074 11.302 705 1HG PRO 90 HG2 PRO 90 2.081 2.354 9.424 706 2HG PRO 90 HG1 PRO 90 1.401 2.136 11.043 707 1HD PRO 90 HD2 PRO 90 3.586 3.683 10.480 708 2HD PRO 90 HD1 PRO 90 3.265 2.960 12.070 709 H PHE 91 HN PHE 91 3.605 2.022 8.238 710 HA PHE 91 HA PHE 91 4.218 0.287 6.099 711 1HB PHE 91 HB2 PHE 91 3.004 2.430 5.883 712 2HB PHE 91 HB1 PHE 91 4.494 3.308 6.247 713 HD1 PHE 91 HD1 PHE 91 6.592 2.597 4.739 714 HD2 PHE 91 HD2 PHE 91 2.480 2.050 3.629 715 HE1 PHE 91 HE1 PHE 91 7.269 2.379 2.398 716 HE2 PHE 91 HE2 PHE 91 3.165 1.858 1.248 717 HZ PHE 91 HZ PHE 91 5.559 2.022 0.630 718 H GLU 92 HN GLU 92 6.289 2.972 7.207 719 HA GLU 92 HA GLU 92 8.564 2.584 5.754 720 1HB GLU 92 HB2 GLU 92 7.873 4.008 7.954 721 2HB GLU 92 HB1 GLU 92 9.003 2.865 8.681 722 1HG GLU 92 HG2 GLU 92 10.791 3.834 7.688 723 2HG GLU 92 HG1 GLU 92 9.963 3.963 6.137 724 H GLU 93 HN GLU 93 8.260 1.007 8.955 725 HA GLU 93 HA GLU 93 10.419 -0.752 8.770 726 1HB GLU 93 HB2 GLU 93 7.643 -1.172 9.929 727 2HB GLU 93 HB1 GLU 93 9.047 -2.163 10.330 728 1HG GLU 93 HG2 GLU 93 8.915 0.843 10.709 729 2HG GLU 93 HG1 GLU 93 8.636 -0.336 11.993 730 H ALA 94 HN ALA 94 7.382 -0.861 7.055 731 HA ALA 94 HA ALA 94 7.509 -3.640 6.231 732 1HB ALA 94 HB1 ALA 94 5.601 -1.765 6.275 733 2HB ALA 94 HB2 ALA 94 5.549 -3.085 5.106 734 3HB ALA 94 HB3 ALA 94 6.161 -1.503 4.624 735 H THR 95 HN THR 95 8.033 -0.615 4.403 736 HA THR 95 HA THR 95 9.261 -1.923 2.147 737 HB THR 95 HB THR 95 9.484 0.937 3.146 738 HG1 THR 95 HG1 THR 95 7.340 -0.311 2.583 739 1HG2 THR 95 HG21 THR 95 11.038 0.097 1.283 740 2HG2 THR 95 HG22 THR 95 10.060 1.518 0.918 741 3HG2 THR 95 HG23 THR 95 9.583 -0.063 0.300 742 H TYR 96 HN TYR 96 10.418 -0.763 5.232 743 HA TYR 96 HA TYR 96 13.249 -0.730 4.515 744 1HB TYR 96 HB2 TYR 96 11.487 -0.331 6.866 745 2HB TYR 96 HB1 TYR 96 13.105 -0.923 7.242 746 HD1 TYR 96 HD1 TYR 96 11.157 1.963 6.536 747 HD2 TYR 96 HD2 TYR 96 15.084 0.303 6.020 748 HE1 TYR 96 HE1 TYR 96 12.075 4.242 6.186 749 HE2 TYR 96 HE2 TYR 96 16.001 2.581 5.670 750 HH TYR 96 HH TYR 96 15.383 4.920 6.267 751 H ALA 97 HN ALA 97 10.914 -3.088 5.534 752 HA ALA 97 HA ALA 97 12.913 -5.071 6.408 753 1HB ALA 97 HB1 ALA 97 9.963 -4.705 6.323 754 2HB ALA 97 HB2 ALA 97 10.976 -5.332 7.623 755 3HB ALA 97 HB3 ALA 97 10.537 -6.371 6.267 756 H LEU 98 HN LEU 98 10.882 -4.395 3.581 757 HA LEU 98 HA LEU 98 11.659 -6.922 2.262 758 1HB LEU 98 HB2 LEU 98 9.419 -5.452 2.233 759 2HB LEU 98 HB1 LEU 98 10.244 -4.684 0.875 760 HG LEU 98 HG LEU 98 10.560 -7.525 0.644 761 1HD1 LEU 98 HD11 LEU 98 7.993 -6.668 1.729 762 2HD1 LEU 98 HD12 LEU 98 8.615 -8.300 1.488 763 3HD1 LEU 98 HD13 LEU 98 7.809 -7.459 0.164 764 1HD2 LEU 98 HD21 LEU 98 9.656 -5.205 -0.903 765 2HD2 LEU 98 HD22 LEU 98 8.784 -6.680 -1.320 766 3HD2 LEU 98 HD23 LEU 98 10.542 -6.632 -1.439 767 H LYS 99 HN LYS 99 13.172 -7.064 0.606 768 HA LYS 99 HA LYS 99 14.387 -4.545 -0.439 769 1HB LYS 99 HB2 LYS 99 16.632 -5.816 -0.067 770 2HB LYS 99 HB1 LYS 99 15.855 -5.081 1.336 771 1HG LYS 99 HG2 LYS 99 15.062 -7.149 2.136 772 2HG LYS 99 HG1 LYS 99 15.260 -7.934 0.568 773 1HD LYS 99 HD2 LYS 99 17.086 -8.743 1.824 774 2HD LYS 99 HD1 LYS 99 17.786 -7.436 0.870 775 1HE LYS 99 HE2 LYS 99 17.436 -5.888 2.819 776 2HE LYS 99 HE1 LYS 99 16.907 -7.287 3.775 777 1HZ LYS 99 HZ1 LYS 99 19.510 -7.024 2.364 778 2HZ LYS 99 HZ2 LYS 99 18.993 -8.397 3.221 779 3HZ LYS 99 HZ3 LYS 99 19.281 -6.938 4.043 780 H VAL 100 HN VAL 100 13.001 -5.395 -2.301 781 HA VAL 100 HA VAL 100 12.897 -6.428 -4.424 782 HB VAL 100 HB VAL 100 15.810 -7.021 -3.819 783 1HG1 VAL 100 HG11 VAL 100 15.884 -7.735 -5.951 784 2HG1 VAL 100 HG12 VAL 100 15.232 -6.194 -6.507 785 3HG1 VAL 100 HG13 VAL 100 14.139 -7.507 -6.070 786 1HG2 VAL 100 HG21 VAL 100 15.469 -4.684 -3.364 787 2HG2 VAL 100 HG22 VAL 100 14.442 -4.496 -4.786 788 3HG2 VAL 100 HG23 VAL 100 16.171 -4.787 -4.978 789 H GLY 101 HN GLY 101 11.719 -8.307 -4.434 790 1HA GLY 101 HA2 GLY 101 12.406 -10.846 -4.693 791 2HA GLY 101 HA1 GLY 101 12.767 -10.675 -2.974 792 H ASP 102 HN ASP 102 10.433 -8.655 -2.905 793 HA ASP 102 HA ASP 102 8.121 -10.501 -3.214 794 1HB ASP 102 HB2 ASP 102 9.116 -9.253 -0.634 795 2HB ASP 102 HB1 ASP 102 7.522 -9.987 -0.804 796 H ILE 103 HN ILE 103 6.069 -9.157 -2.360 797 HA ILE 103 HA ILE 103 6.390 -6.328 -3.321 798 HB ILE 103 HB ILE 103 3.738 -7.607 -3.603 799 1HG1 ILE 103 HG12 ILE 103 6.080 -8.584 -5.278 800 2HG1 ILE 103 HG11 ILE 103 5.152 -9.562 -4.141 801 1HG2 ILE 103 HG21 ILE 103 4.045 -5.491 -4.615 802 2HG2 ILE 103 HG22 ILE 103 4.126 -6.631 -5.958 803 3HG2 ILE 103 HG23 ILE 103 5.608 -5.947 -5.292 804 1HD1 ILE 103 HD11 ILE 103 3.215 -8.381 -5.780 805 2HD1 ILE 103 HD12 ILE 103 3.766 -10.055 -5.855 806 3HD1 ILE 103 HD13 ILE 103 4.511 -8.835 -6.888 807 H SER 104 HN SER 104 6.121 -7.869 -0.559 808 HA SER 104 HA SER 104 5.263 -7.217 1.552 809 1HB SER 104 HB2 SER 104 5.178 -4.955 1.666 810 2HB SER 104 HB1 SER 104 5.374 -4.936 -0.084 811 HG SER 104 HG SER 104 3.448 -3.861 0.856 812 H ASP 105 HN ASP 105 2.852 -6.272 -0.904 813 HA ASP 105 HA ASP 105 0.609 -6.930 -1.189 814 1HB ASP 105 HB2 ASP 105 1.584 -9.307 0.424 815 2HB ASP 105 HB1 ASP 105 0.181 -9.274 -0.645 816 H ILE 106 HN ILE 106 1.035 -8.490 1.976 817 HA ILE 106 HA ILE 106 -1.264 -6.965 3.005 818 HB ILE 106 HB ILE 106 -1.007 -8.484 4.937 819 1HG1 ILE 106 HG12 ILE 106 1.578 -9.194 3.527 820 2HG1 ILE 106 HG11 ILE 106 1.350 -8.693 5.200 821 1HG2 ILE 106 HG21 ILE 106 -0.813 -9.705 2.175 822 2HG2 ILE 106 HG22 ILE 106 -2.267 -9.365 3.112 823 3HG2 ILE 106 HG23 ILE 106 -1.184 -10.657 3.612 824 1HD1 ILE 106 HD11 ILE 106 0.396 -11.296 3.968 825 2HD1 ILE 106 HD12 ILE 106 0.081 -10.790 5.628 826 3HD1 ILE 106 HD13 ILE 106 1.734 -11.111 5.103 827 H VAL 107 HN VAL 107 -0.766 -4.880 3.576 828 HA VAL 107 HA VAL 107 1.460 -4.473 5.543 829 HB VAL 107 HB VAL 107 0.760 -2.924 3.036 830 1HG1 VAL 107 HG11 VAL 107 2.997 -1.731 4.152 831 2HG1 VAL 107 HG12 VAL 107 1.931 -1.988 5.533 832 3HG1 VAL 107 HG13 VAL 107 1.365 -1.063 4.142 833 1HG2 VAL 107 HG21 VAL 107 2.269 -4.589 2.419 834 2HG2 VAL 107 HG22 VAL 107 3.064 -4.588 3.993 835 3HG2 VAL 107 HG23 VAL 107 3.367 -3.278 2.851 836 H ASP 108 HN ASP 108 -0.955 -4.789 6.621 837 HA ASP 108 HA ASP 108 -2.925 -2.837 6.653 838 1HB ASP 108 HB2 ASP 108 -3.025 -3.463 9.157 839 2HB ASP 108 HB1 ASP 108 -3.166 -4.772 7.981 840 H THR 109 HN THR 109 -2.559 -0.647 6.623 841 HA THR 109 HA THR 109 -1.050 0.546 8.887 842 HB THR 109 HB THR 109 0.149 1.975 7.094 843 HG1 THR 109 HG1 THR 109 -1.246 1.218 5.401 844 1HG2 THR 109 HG21 THR 109 1.140 -0.752 6.671 845 2HG2 THR 109 HG22 THR 109 0.829 -0.375 8.366 846 3HG2 THR 109 HG23 THR 109 1.935 0.629 7.428 847 H ASP 110 HN ASP 110 -1.051 3.189 7.787 848 HA ASP 110 HA ASP 110 -3.462 4.308 8.504 849 1HB ASP 110 HB2 ASP 110 -1.129 5.023 7.042 850 2HB ASP 110 HB1 ASP 110 -2.511 5.606 6.113 851 H SER 111 HN SER 111 -5.457 4.769 7.431 852 HA SER 111 HA SER 111 -7.182 4.483 5.834 853 1HB SER 111 HB2 SER 111 -5.084 3.330 4.003 854 2HB SER 111 HB1 SER 111 -6.513 4.265 3.579 855 HG SER 111 HG SER 111 -4.050 5.100 4.622 856 H GLY 112 HN GLY 112 -4.856 1.785 5.450 857 1HA GLY 112 HA2 GLY 112 -6.389 -0.196 6.735 858 2HA GLY 112 HA1 GLY 112 -6.905 -0.192 5.049 859 H VAL 113 HN VAL 113 -5.957 -2.106 4.340 860 HA VAL 113 HA VAL 113 -3.070 -2.552 4.899 861 HB VAL 113 HB VAL 113 -3.590 -4.793 3.929 862 1HG1 VAL 113 HG11 VAL 113 -5.719 -5.024 5.677 863 2HG1 VAL 113 HG12 VAL 113 -4.887 -3.587 6.271 864 3HG1 VAL 113 HG13 VAL 113 -4.017 -5.115 6.132 865 1HG2 VAL 113 HG21 VAL 113 -5.441 -3.711 2.446 866 2HG2 VAL 113 HG22 VAL 113 -6.474 -3.934 3.857 867 3HG2 VAL 113 HG23 VAL 113 -5.717 -5.330 3.089 868 H HIS 114 HN HIS 114 -1.529 -2.409 3.318 869 HA HIS 114 HA HIS 114 -2.442 -1.796 0.525 870 1HB HIS 114 HB2 HIS 114 -0.074 -0.550 1.940 871 2HB HIS 114 HB1 HIS 114 -0.887 0.021 0.483 872 HD1 HIS 114 HD1 HIS 114 -2.093 2.120 1.051 873 HD2 HIS 114 HD2 HIS 114 -2.369 -0.671 4.134 874 HE1 HIS 114 HE1 HIS 114 -3.520 3.182 2.854 875 H ILE 115 HN ILE 115 -0.239 -1.801 -0.870 876 HA ILE 115 HA ILE 115 1.415 -4.165 -0.055 877 HB ILE 115 HB ILE 115 1.206 -5.064 -2.257 878 1HG1 ILE 115 HG12 ILE 115 -0.113 -2.459 -3.073 879 2HG1 ILE 115 HG11 ILE 115 1.555 -2.898 -3.434 880 1HG2 ILE 115 HG21 ILE 115 -0.875 -5.773 -1.812 881 2HG2 ILE 115 HG22 ILE 115 -1.521 -4.289 -2.507 882 3HG2 ILE 115 HG23 ILE 115 -1.156 -4.373 -0.786 883 1HD1 ILE 115 HD11 ILE 115 -0.608 -4.821 -4.192 884 2HD1 ILE 115 HD12 ILE 115 0.947 -4.524 -4.968 885 3HD1 ILE 115 HD13 ILE 115 -0.380 -3.385 -5.189 886 H ILE 116 HN ILE 116 3.595 -4.087 -1.305 887 HA ILE 116 HA ILE 116 4.254 -1.341 -2.225 888 HB ILE 116 HB ILE 116 5.249 -2.756 0.223 889 1HG1 ILE 116 HG12 ILE 116 5.271 0.092 0.367 890 2HG1 ILE 116 HG11 ILE 116 3.774 -0.386 -0.431 891 1HG2 ILE 116 HG21 ILE 116 6.806 -0.668 -1.337 892 2HG2 ILE 116 HG22 ILE 116 7.285 -2.350 -1.114 893 3HG2 ILE 116 HG23 ILE 116 7.223 -1.259 0.271 894 1HD1 ILE 116 HD11 ILE 116 3.373 -2.022 1.427 895 2HD1 ILE 116 HD12 ILE 116 3.393 -0.343 1.967 896 3HD1 ILE 116 HD13 ILE 116 4.795 -1.375 2.246 897 H LYS 117 HN LYS 117 6.236 -1.211 -3.413 898 HA LYS 117 HA LYS 117 7.418 -3.828 -4.277 899 1HB LYS 117 HB2 LYS 117 5.640 -2.406 -5.737 900 2HB LYS 117 HB1 LYS 117 7.121 -1.574 -6.211 901 1HG LYS 117 HG2 LYS 117 7.905 -3.367 -7.379 902 2HG LYS 117 HG1 LYS 117 7.301 -4.525 -6.193 903 1HD LYS 117 HD2 LYS 117 5.692 -5.009 -7.706 904 2HD LYS 117 HD1 LYS 117 4.977 -3.459 -7.264 905 1HE LYS 117 HE2 LYS 117 5.364 -2.693 -9.358 906 2HE LYS 117 HE1 LYS 117 7.104 -2.970 -9.136 907 1HZ LYS 117 HZ1 LYS 117 6.995 -5.033 -10.049 908 2HZ LYS 117 HZ2 LYS 117 5.698 -4.336 -10.896 909 3HZ LYS 117 HZ3 LYS 117 5.403 -5.312 -9.537 910 H ARG 118 HN ARG 118 9.668 -3.756 -4.172 911 HA ARG 118 HA ARG 118 10.923 -1.118 -3.589 912 1HB ARG 118 HB2 ARG 118 11.286 -3.914 -2.844 913 2HB ARG 118 HB1 ARG 118 12.807 -3.168 -3.336 914 1HG ARG 118 HG2 ARG 118 10.889 -1.966 -1.320 915 2HG ARG 118 HG1 ARG 118 12.335 -2.884 -0.897 916 1HD ARG 118 HD2 ARG 118 13.592 -1.179 -2.427 917 2HD ARG 118 HD1 ARG 118 12.147 -0.173 -2.205 918 HE ARG 118 HE ARG 118 12.986 -1.249 0.326 919 1HH1 ARG 118 HH21 ARG 118 14.205 0.827 -2.122 920 2HH1 ARG 118 HH22 ARG 118 14.810 2.011 -1.013 921 1HH2 ARG 118 HH11 ARG 118 13.580 0.395 1.797 922 2HH2 ARG 118 HH12 ARG 118 14.456 1.768 1.206 923 H THR 119 HN THR 119 12.612 -3.847 -5.049 924 HA THR 119 HA THR 119 13.000 -2.234 -7.546 925 HB THR 119 HB THR 119 15.271 -3.837 -6.509 926 HG1 THR 119 HG1 THR 119 15.569 -2.704 -4.749 927 1HG2 THR 119 HG21 THR 119 15.222 -0.931 -7.309 928 2HG2 THR 119 HG22 THR 119 15.168 -2.211 -8.521 929 3HG2 THR 119 HG23 THR 119 16.550 -2.085 -7.433 930 H ALA 120 HN ALA 120 11.908 -5.085 -6.273 931 HA ALA 120 HA ALA 120 13.067 -7.027 -8.087 932 1HB ALA 120 HB1 ALA 120 11.552 -7.009 -5.784 933 2HB ALA 120 HB2 ALA 120 11.866 -8.441 -6.764 934 3HB ALA 120 HB3 ALA 120 10.377 -7.524 -6.994 Start of MODEL 7 1 1H HIS 1 HT1 HIS 1 34.870 3.214 3.464 2 2H HIS 1 HT2 HIS 1 35.854 3.527 2.115 3 3H HIS 1 HT3 HIS 1 34.162 3.596 1.971 4 HA HIS 1 HA HIS 1 35.854 5.450 3.576 5 1HB HIS 1 HB2 HIS 1 36.067 5.720 1.160 6 2HB HIS 1 HB1 HIS 1 34.315 5.659 0.968 7 HD1 HIS 1 HD1 HIS 1 36.989 7.823 2.592 8 HD2 HIS 1 HD2 HIS 1 33.045 8.114 1.277 9 HE1 HIS 1 HE1 HIS 1 36.345 10.264 2.795 10 H MET 2 HN MET 2 32.637 5.406 2.008 11 HA MET 2 HA MET 2 31.447 6.160 4.659 12 1HB MET 2 HB2 MET 2 31.193 7.311 1.892 13 2HB MET 2 HB1 MET 2 29.844 7.464 3.019 14 1HG MET 2 HG2 MET 2 32.544 8.142 4.071 15 2HG MET 2 HG1 MET 2 31.838 9.268 2.912 16 1HE MET 2 HE1 MET 2 32.753 10.053 5.258 17 2HE MET 2 HE2 MET 2 31.979 9.657 6.791 18 3HE MET 2 HE3 MET 2 31.508 11.118 5.927 19 H ALA 3 HN ALA 3 29.802 4.806 5.255 20 HA ALA 3 HA ALA 3 28.982 2.572 3.625 21 1HB ALA 3 HB1 ALA 3 27.296 2.359 5.527 22 2HB ALA 3 HB2 ALA 3 27.953 3.866 6.165 23 3HB ALA 3 HB3 ALA 3 28.984 2.442 6.031 24 H SER 4 HN SER 4 26.378 2.275 3.523 25 HA SER 4 HA SER 4 25.436 4.229 1.589 26 1HB SER 4 HB2 SER 4 23.449 2.752 1.601 27 2HB SER 4 HB1 SER 4 24.934 1.806 1.531 28 HG SER 4 HG SER 4 23.013 1.942 3.472 29 H ARG 5 HN ARG 5 23.973 5.910 1.929 30 HA ARG 5 HA ARG 5 23.626 6.977 4.574 31 1HB ARG 5 HB2 ARG 5 22.313 7.490 1.889 32 2HB ARG 5 HB1 ARG 5 22.061 8.515 3.303 33 1HG ARG 5 HG2 ARG 5 24.008 9.581 2.929 34 2HG ARG 5 HG1 ARG 5 24.884 8.050 2.946 35 1HD ARG 5 HD2 ARG 5 24.007 7.733 0.528 36 2HD ARG 5 HD1 ARG 5 23.643 9.469 0.585 37 HE ARG 5 HE ARG 5 26.044 9.866 1.090 38 1HH1 ARG 5 HH21 ARG 5 25.713 8.293 -1.556 39 2HH1 ARG 5 HH22 ARG 5 27.010 7.156 -1.402 40 1HH2 ARG 5 HH11 ARG 5 27.457 7.720 1.988 41 2HH2 ARG 5 HH12 ARG 5 27.998 6.832 0.603 42 H ASP 6 HN ASP 6 20.571 7.355 3.378 43 HA ASP 6 HA ASP 6 19.481 4.806 4.425 44 1HB ASP 6 HB2 ASP 6 19.909 6.346 6.346 45 2HB ASP 6 HB1 ASP 6 18.836 7.530 5.601 46 H GLN 7 HN GLN 7 17.233 7.330 4.623 47 HA GLN 7 HA GLN 7 15.352 7.853 3.289 48 1HB GLN 7 HB2 GLN 7 17.597 8.623 2.047 49 2HB GLN 7 HB1 GLN 7 17.052 7.429 0.868 50 1HG GLN 7 HG2 GLN 7 14.878 8.551 0.693 51 2HG GLN 7 HG1 GLN 7 15.363 9.718 1.923 52 1HE2 GLN 7 HE21 GLN 7 17.995 10.317 1.118 53 2HE2 GLN 7 HE22 GLN 7 17.966 11.043 -0.416 54 H VAL 8 HN VAL 8 13.903 6.926 1.512 55 HA VAL 8 HA VAL 8 14.485 4.173 0.646 56 HB VAL 8 HB VAL 8 13.797 3.612 2.828 57 1HG1 VAL 8 HG11 VAL 8 11.857 5.901 2.502 58 2HG1 VAL 8 HG12 VAL 8 13.107 5.689 3.728 59 3HG1 VAL 8 HG13 VAL 8 11.650 4.696 3.773 60 1HG2 VAL 8 HG21 VAL 8 12.151 2.965 0.688 61 2HG2 VAL 8 HG22 VAL 8 11.014 3.549 1.904 62 3HG2 VAL 8 HG23 VAL 8 12.099 2.210 2.282 63 H LYS 9 HN LYS 9 13.881 4.517 -1.485 64 HA LYS 9 HA LYS 9 11.501 6.098 -2.195 65 1HB LYS 9 HB2 LYS 9 13.485 4.395 -3.735 66 2HB LYS 9 HB1 LYS 9 12.177 5.303 -4.491 67 1HG LYS 9 HG2 LYS 9 13.282 7.236 -2.947 68 2HG LYS 9 HG1 LYS 9 14.711 6.281 -3.338 69 1HD LYS 9 HD2 LYS 9 14.247 6.468 -5.716 70 2HD LYS 9 HD1 LYS 9 12.714 7.276 -5.392 71 1HE LYS 9 HE2 LYS 9 13.845 9.239 -5.506 72 2HE LYS 9 HE1 LYS 9 14.649 8.777 -3.993 73 1HZ LYS 9 HZ1 LYS 9 16.272 9.140 -5.755 74 2HZ LYS 9 HZ2 LYS 9 15.506 7.973 -6.723 75 3HZ LYS 9 HZ3 LYS 9 16.263 7.514 -5.273 76 H ALA 10 HN ALA 10 9.736 5.011 -3.561 77 HA ALA 10 HA ALA 10 9.417 2.203 -3.802 78 1HB ALA 10 HB1 ALA 10 7.746 2.249 -1.630 79 2HB ALA 10 HB2 ALA 10 9.038 3.324 -1.096 80 3HB ALA 10 HB3 ALA 10 9.413 1.672 -1.586 81 H SER 11 HN SER 11 7.204 1.520 -4.229 82 HA SER 11 HA SER 11 5.348 3.789 -4.852 83 1HB SER 11 HB2 SER 11 5.026 2.812 -6.906 84 2HB SER 11 HB1 SER 11 6.547 1.993 -6.563 85 HG SER 11 HG SER 11 4.352 0.818 -7.045 86 H HIS 12 HN HIS 12 2.910 2.697 -4.951 87 HA HIS 12 HA HIS 12 2.585 0.442 -3.117 88 1HB HIS 12 HB2 HIS 12 1.908 1.666 -1.174 89 2HB HIS 12 HB1 HIS 12 3.417 2.394 -1.727 90 HD1 HIS 12 HD1 HIS 12 0.966 3.837 -0.134 91 HD2 HIS 12 HD2 HIS 12 1.917 4.226 -4.175 92 HE1 HIS 12 HE1 HIS 12 -0.030 6.037 -0.896 93 H ILE 13 HN ILE 13 0.316 0.149 -2.408 94 HA ILE 13 HA ILE 13 -1.772 1.555 -3.995 95 HB ILE 13 HB ILE 13 -1.013 -1.373 -4.091 96 1HG1 ILE 13 HG12 ILE 13 -1.428 0.881 -6.035 97 2HG1 ILE 13 HG11 ILE 13 -0.073 -0.235 -5.914 98 1HG2 ILE 13 HG21 ILE 13 -3.392 -1.315 -3.510 99 2HG2 ILE 13 HG22 ILE 13 -3.207 -1.788 -5.198 100 3HG2 ILE 13 HG23 ILE 13 -3.698 -0.144 -4.792 101 1HD1 ILE 13 HD11 ILE 13 -2.795 -0.697 -7.124 102 2HD1 ILE 13 HD12 ILE 13 -1.833 -2.061 -6.555 103 3HD1 ILE 13 HD13 ILE 13 -1.207 -1.010 -7.825 104 H LEU 14 HN LEU 14 -4.014 0.676 -3.131 105 HA LEU 14 HA LEU 14 -3.798 -0.231 -0.295 106 1HB LEU 14 HB2 LEU 14 -3.770 2.112 -0.044 107 2HB LEU 14 HB1 LEU 14 -4.880 2.361 -1.389 108 HG LEU 14 HG LEU 14 -6.515 0.957 0.192 109 1HD1 LEU 14 HD11 LEU 14 -5.096 2.511 2.288 110 2HD1 LEU 14 HD12 LEU 14 -4.442 0.936 1.841 111 3HD1 LEU 14 HD13 LEU 14 -6.094 1.067 2.442 112 1HD2 LEU 14 HD21 LEU 14 -6.577 3.572 1.290 113 2HD2 LEU 14 HD22 LEU 14 -7.557 2.901 -0.005 114 3HD2 LEU 14 HD23 LEU 14 -6.045 3.720 -0.387 115 H ILE 15 HN ILE 15 -5.222 -1.911 -0.081 116 HA ILE 15 HA ILE 15 -7.483 -2.174 -1.984 117 HB ILE 15 HB ILE 15 -5.850 -4.013 -1.417 118 1HG1 ILE 15 HG12 ILE 15 -8.691 -4.649 -0.574 119 2HG1 ILE 15 HG11 ILE 15 -8.214 -4.397 -2.254 120 1HG2 ILE 15 HG21 ILE 15 -6.970 -4.977 0.971 121 2HG2 ILE 15 HG22 ILE 15 -6.696 -3.258 1.256 122 3HG2 ILE 15 HG23 ILE 15 -5.357 -4.295 0.764 123 1HD1 ILE 15 HD11 ILE 15 -6.901 -6.436 -0.438 124 2HD1 ILE 15 HD12 ILE 15 -6.689 -6.265 -2.181 125 3HD1 ILE 15 HD13 ILE 15 -8.231 -6.820 -1.530 126 H LYS 16 HN LYS 16 -7.054 -0.635 0.917 127 HA LYS 16 HA LYS 16 -8.573 0.164 2.539 128 1HB LYS 16 HB2 LYS 16 -10.613 -1.008 0.621 129 2HB LYS 16 HB1 LYS 16 -10.889 0.273 1.801 130 1HG LYS 16 HG2 LYS 16 -10.251 1.800 0.283 131 2HG LYS 16 HG1 LYS 16 -8.657 1.048 0.211 132 1HD LYS 16 HD2 LYS 16 -9.309 0.800 -1.995 133 2HD LYS 16 HD1 LYS 16 -9.935 -0.705 -1.323 134 1HE LYS 16 HE2 LYS 16 -12.160 0.113 -1.255 135 2HE LYS 16 HE1 LYS 16 -11.631 1.800 -1.414 136 1HZ LYS 16 HZ1 LYS 16 -12.214 1.262 -3.572 137 2HZ LYS 16 HZ2 LYS 16 -11.644 -0.334 -3.449 138 3HZ LYS 16 HZ3 LYS 16 -10.546 0.957 -3.576 139 H HIS 17 HN HIS 17 -10.361 -0.691 4.075 140 HA HIS 17 HA HIS 17 -10.939 -3.509 4.221 141 1HB HIS 17 HB2 HIS 17 -9.276 -4.185 5.826 142 2HB HIS 17 HB1 HIS 17 -8.422 -3.366 4.530 143 HD1 HIS 17 HD1 HIS 17 -9.748 -0.547 5.849 144 HD2 HIS 17 HD2 HIS 17 -7.022 -3.244 7.479 145 HE1 HIS 17 HE1 HIS 17 -8.522 0.698 7.681 146 H GLN 18 HN GLN 18 -10.617 -3.587 7.168 147 HA GLN 18 HA GLN 18 -13.140 -2.495 7.966 148 1HB GLN 18 HB2 GLN 18 -11.318 -4.304 8.904 149 2HB GLN 18 HB1 GLN 18 -11.068 -2.964 10.023 150 1HG GLN 18 HG2 GLN 18 -13.880 -3.767 9.399 151 2HG GLN 18 HG1 GLN 18 -12.941 -4.796 10.482 152 1HE2 GLN 18 HE21 GLN 18 -14.630 -3.958 12.118 153 2HE2 GLN 18 HE22 GLN 18 -14.299 -2.486 12.896 154 H GLY 19 HN GLY 19 -9.987 -1.584 9.356 155 1HA GLY 19 HA2 GLY 19 -9.262 0.474 10.229 156 2HA GLY 19 HA1 GLY 19 -10.037 1.174 8.807 157 H SER 20 HN SER 20 -11.384 2.788 9.464 158 HA SER 20 HA SER 20 -13.453 2.169 11.493 159 1HB SER 20 HB2 SER 20 -12.088 3.084 13.077 160 2HB SER 20 HB1 SER 20 -11.064 3.864 11.873 161 HG SER 20 HG SER 20 -12.256 5.378 13.111 162 H ARG 21 HN ARG 21 -12.037 4.586 9.285 163 HA ARG 21 HA ARG 21 -14.537 6.096 9.103 164 1HB ARG 21 HB2 ARG 21 -13.226 7.627 7.951 165 2HB ARG 21 HB1 ARG 21 -11.974 6.771 8.843 166 1HG ARG 21 HG2 ARG 21 -12.792 5.904 6.061 167 2HG ARG 21 HG1 ARG 21 -11.586 7.157 6.320 168 1HD ARG 21 HD2 ARG 21 -10.079 5.466 6.472 169 2HD ARG 21 HD1 ARG 21 -10.794 5.116 8.056 170 HE ARG 21 HE ARG 21 -12.407 3.603 6.840 171 1HH1 ARG 21 HH21 ARG 21 -10.823 4.942 4.326 172 2HH1 ARG 21 HH22 ARG 21 -10.170 3.480 3.665 173 1HH2 ARG 21 HH11 ARG 21 -10.992 1.554 6.431 174 2HH2 ARG 21 HH12 ARG 21 -10.266 1.561 4.858 175 H ARG 22 HN ARG 22 -15.489 6.485 6.847 176 HA ARG 22 HA ARG 22 -16.656 4.215 5.744 177 1HB ARG 22 HB2 ARG 22 -17.287 6.557 5.297 178 2HB ARG 22 HB1 ARG 22 -15.805 6.784 4.367 179 1HG ARG 22 HG2 ARG 22 -17.248 6.278 2.638 180 2HG ARG 22 HG1 ARG 22 -16.738 4.644 3.067 181 1HD ARG 22 HD2 ARG 22 -18.756 4.145 4.124 182 2HD ARG 22 HD1 ARG 22 -19.102 5.849 4.484 183 HE ARG 22 HE ARG 22 -19.988 6.088 2.295 184 1HH1 ARG 22 HH11 ARG 22 -17.570 4.865 0.919 185 2HH1 ARG 22 HH12 ARG 22 -18.280 3.491 0.140 186 1HH2 ARG 22 HH21 ARG 22 -21.186 3.586 2.032 187 2HH2 ARG 22 HH22 ARG 22 -20.328 2.766 0.771 188 H LYS 23 HN LYS 23 -16.168 2.897 3.895 189 HA LYS 23 HA LYS 23 -13.459 2.071 3.570 190 1HB LYS 23 HB2 LYS 23 -15.626 0.828 3.090 191 2HB LYS 23 HB1 LYS 23 -15.746 1.770 1.603 192 1HG LYS 23 HG2 LYS 23 -13.131 0.828 1.561 193 2HG LYS 23 HG1 LYS 23 -14.051 -0.534 2.204 194 1HD LYS 23 HD2 LYS 23 -14.631 0.971 -0.365 195 2HD LYS 23 HD1 LYS 23 -14.004 -0.673 -0.233 196 1HE LYS 23 HE2 LYS 23 -16.554 -0.085 1.211 197 2HE LYS 23 HE1 LYS 23 -16.626 -0.214 -0.558 198 1HZ LYS 23 HZ1 LYS 23 -16.843 -2.403 0.339 199 2HZ LYS 23 HZ2 LYS 23 -15.483 -2.197 1.335 200 3HZ LYS 23 HZ3 LYS 23 -15.299 -2.285 -0.351 201 H ALA 24 HN ALA 24 -15.514 3.715 1.129 202 HA ALA 24 HA ALA 24 -13.175 4.508 -0.440 203 1HB ALA 24 HB1 ALA 24 -16.001 5.538 -0.708 204 2HB ALA 24 HB2 ALA 24 -15.592 3.886 -1.169 205 3HB ALA 24 HB3 ALA 24 -14.818 5.246 -1.982 206 H SER 25 HN SER 25 -15.730 6.324 1.310 207 HA SER 25 HA SER 25 -15.685 8.495 2.249 208 1HB SER 25 HB2 SER 25 -12.722 8.321 2.483 209 2HB SER 25 HB1 SER 25 -13.923 8.691 3.718 210 HG SER 25 HG SER 25 -12.989 6.228 2.778 211 H TRP 26 HN TRP 26 -16.118 9.977 0.597 212 HA TRP 26 HA TRP 26 -13.742 11.140 -0.781 213 1HB TRP 26 HB2 TRP 26 -15.419 9.287 -1.954 214 2HB TRP 26 HB1 TRP 26 -16.112 10.818 -2.489 215 HD1 TRP 26 HD1 TRP 26 -14.329 8.674 -4.262 216 HE1 TRP 26 HE1 TRP 26 -12.313 9.623 -5.558 217 HE3 TRP 26 HE3 TRP 26 -13.602 13.031 -1.699 218 HZ2 TRP 26 HZ2 TRP 26 -10.616 11.924 -5.514 219 HZ3 TRP 26 HZ3 TRP 26 -11.781 14.581 -2.347 220 HH2 TRP 26 HH2 TRP 26 -10.288 14.035 -4.248 221 H LYS 27 HN LYS 27 -15.596 12.636 -2.552 222 HA LYS 27 HA LYS 27 -15.867 15.051 -1.173 223 1HB LYS 27 HB2 LYS 27 -17.399 13.812 -3.470 224 2HB LYS 27 HB1 LYS 27 -17.595 15.501 -3.000 225 1HG LYS 27 HG2 LYS 27 -14.872 15.307 -3.100 226 2HG LYS 27 HG1 LYS 27 -15.336 14.178 -4.374 227 1HD LYS 27 HD2 LYS 27 -16.206 15.826 -5.705 228 2HD LYS 27 HD1 LYS 27 -16.792 16.766 -4.333 229 1HE LYS 27 HE2 LYS 27 -13.824 16.524 -4.747 230 2HE LYS 27 HE1 LYS 27 -14.747 17.672 -5.737 231 1HZ LYS 27 HZ1 LYS 27 -14.730 17.495 -2.771 232 2HZ LYS 27 HZ2 LYS 27 -15.781 18.488 -3.664 233 3HZ LYS 27 HZ3 LYS 27 -14.104 18.759 -3.712 234 H ASP 28 HN ASP 28 -18.384 16.007 -1.234 235 HA ASP 28 HA ASP 28 -19.585 15.284 1.186 236 1HB ASP 28 HB2 ASP 28 -20.245 16.781 -1.261 237 2HB ASP 28 HB1 ASP 28 -21.659 16.217 -0.371 238 HA PRO 29 HA PRO 29 -22.645 12.461 -1.173 239 1HB PRO 29 HB2 PRO 29 -22.014 11.744 -3.738 240 2HB PRO 29 HB1 PRO 29 -22.981 13.177 -3.340 241 1HG PRO 29 HG2 PRO 29 -20.108 12.979 -4.076 242 2HG PRO 29 HG1 PRO 29 -21.303 14.213 -4.504 243 1HD PRO 29 HD2 PRO 29 -19.409 14.537 -2.565 244 2HD PRO 29 HD1 PRO 29 -20.967 15.391 -2.576 245 H GLU 30 HN GLU 30 -22.287 10.498 -0.239 246 HA GLU 30 HA GLU 30 -19.842 8.955 -1.045 247 1HB GLU 30 HB2 GLU 30 -19.647 8.296 1.299 248 2HB GLU 30 HB1 GLU 30 -19.735 10.055 1.210 249 1HG GLU 30 HG2 GLU 30 -22.277 9.763 1.531 250 2HG GLU 30 HG1 GLU 30 -21.896 8.115 2.031 251 H GLY 31 HN GLY 31 -20.598 6.704 0.618 252 1HA GLY 31 HA2 GLY 31 -23.001 5.751 -0.890 253 2HA GLY 31 HA1 GLY 31 -21.653 4.704 -0.442 254 H LYS 32 HN LYS 32 -23.624 3.489 0.511 255 HA LYS 32 HA LYS 32 -24.592 4.607 3.083 256 1HB LYS 32 HB2 LYS 32 -25.191 2.185 1.373 257 2HB LYS 32 HB1 LYS 32 -25.880 2.370 2.986 258 1HG LYS 32 HG2 LYS 32 -26.285 4.850 1.729 259 2HG LYS 32 HG1 LYS 32 -26.681 3.640 0.507 260 1HD LYS 32 HD2 LYS 32 -28.008 2.468 2.405 261 2HD LYS 32 HD1 LYS 32 -27.902 4.020 3.236 262 1HE LYS 32 HE2 LYS 32 -28.676 4.660 0.603 263 2HE LYS 32 HE1 LYS 32 -29.660 3.255 1.061 264 1HZ LYS 32 HZ1 LYS 32 -29.877 4.473 3.295 265 2HZ LYS 32 HZ2 LYS 32 -30.816 5.023 1.990 266 3HZ LYS 32 HZ3 LYS 32 -29.403 5.856 2.436 267 H ILE 33 HN ILE 33 -24.065 1.178 2.731 268 HA ILE 33 HA ILE 33 -21.517 1.113 4.156 269 HB ILE 33 HB ILE 33 -23.091 1.783 5.937 270 1HG1 ILE 33 HG12 ILE 33 -22.802 -0.983 6.790 271 2HG1 ILE 33 HG11 ILE 33 -21.348 -0.421 5.965 272 1HG2 ILE 33 HG21 ILE 33 -24.536 -0.796 5.889 273 2HG2 ILE 33 HG22 ILE 33 -24.927 0.294 4.559 274 3HG2 ILE 33 HG23 ILE 33 -25.140 0.826 6.228 275 1HD1 ILE 33 HD11 ILE 33 -22.116 0.137 8.621 276 2HD1 ILE 33 HD12 ILE 33 -22.341 1.641 7.728 277 3HD1 ILE 33 HD13 ILE 33 -20.768 0.843 7.731 278 H ILE 34 HN ILE 34 -20.721 -0.519 2.852 279 HA ILE 34 HA ILE 34 -22.366 -3.020 2.635 280 HB ILE 34 HB ILE 34 -21.423 -3.274 0.420 281 1HG1 ILE 34 HG12 ILE 34 -19.672 -0.942 1.246 282 2HG1 ILE 34 HG11 ILE 34 -19.152 -2.568 0.801 283 1HG2 ILE 34 HG21 ILE 34 -23.140 -1.261 1.101 284 2HG2 ILE 34 HG22 ILE 34 -22.697 -1.656 -0.560 285 3HG2 ILE 34 HG23 ILE 34 -21.865 -0.352 0.288 286 1HD1 ILE 34 HD11 ILE 34 -18.988 -1.894 -1.339 287 2HD1 ILE 34 HD12 ILE 34 -19.623 -0.305 -0.913 288 3HD1 ILE 34 HD13 ILE 34 -20.728 -1.608 -1.350 289 H LEU 35 HN LEU 35 -20.594 -4.833 1.842 290 HA LEU 35 HA LEU 35 -18.980 -5.392 4.134 291 1HB LEU 35 HB2 LEU 35 -18.264 -7.294 2.815 292 2HB LEU 35 HB1 LEU 35 -19.963 -6.996 2.454 293 HG LEU 35 HG LEU 35 -17.929 -5.628 0.744 294 1HD1 LEU 35 HD11 LEU 35 -18.745 -8.475 0.180 295 2HD1 LEU 35 HD12 LEU 35 -17.283 -8.113 1.098 296 3HD1 LEU 35 HD13 LEU 35 -17.449 -7.536 -0.560 297 1HD2 LEU 35 HD21 LEU 35 -19.967 -5.116 -0.138 298 2HD2 LEU 35 HD22 LEU 35 -20.755 -6.475 0.663 299 3HD2 LEU 35 HD23 LEU 35 -19.877 -6.730 -0.845 300 H THR 36 HN THR 36 -16.517 -5.893 3.806 301 HA THR 36 HA THR 36 -15.127 -3.991 2.013 302 HB THR 36 HB THR 36 -14.049 -2.850 3.902 303 HG1 THR 36 HG1 THR 36 -14.563 -3.403 5.982 304 1HG2 THR 36 HG21 THR 36 -16.309 -2.092 3.046 305 2HG2 THR 36 HG22 THR 36 -15.935 -1.595 4.697 306 3HG2 THR 36 HG23 THR 36 -17.029 -2.948 4.409 307 H THR 37 HN THR 37 -12.615 -4.158 2.752 308 HA THR 37 HA THR 37 -11.900 -6.972 2.459 309 HB THR 37 HB THR 37 -10.545 -4.296 2.604 310 HG1 THR 37 HG1 THR 37 -11.433 -5.656 0.714 311 1HG2 THR 37 HG21 THR 37 -8.348 -5.558 2.328 312 2HG2 THR 37 HG22 THR 37 -9.207 -6.984 2.911 313 3HG2 THR 37 HG23 THR 37 -9.038 -5.570 3.952 314 H THR 38 HN THR 38 -12.525 -4.898 5.099 315 HA THR 38 HA THR 38 -12.174 -5.082 7.421 316 HB THR 38 HB THR 38 -11.887 -7.847 7.725 317 HG1 THR 38 HG1 THR 38 -13.428 -8.603 6.187 318 1HG2 THR 38 HG21 THR 38 -13.632 -7.250 9.003 319 2HG2 THR 38 HG22 THR 38 -14.635 -7.287 7.553 320 3HG2 THR 38 HG23 THR 38 -13.878 -5.778 8.062 321 H ARG 39 HN ARG 39 -10.675 -6.043 9.121 322 HA ARG 39 HA ARG 39 -7.922 -5.567 8.347 323 1HB ARG 39 HB2 ARG 39 -7.641 -6.527 10.812 324 2HB ARG 39 HB1 ARG 39 -8.335 -4.934 10.536 325 1HG ARG 39 HG2 ARG 39 -10.499 -5.642 11.019 326 2HG ARG 39 HG1 ARG 39 -10.157 -7.323 10.618 327 1HD ARG 39 HD2 ARG 39 -8.405 -6.689 12.743 328 2HD ARG 39 HD1 ARG 39 -9.984 -6.017 13.195 329 HE ARG 39 HE ARG 39 -10.533 -8.542 12.114 330 1HH1 ARG 39 HH11 ARG 39 -9.992 -7.076 15.056 331 2HH1 ARG 39 HH12 ARG 39 -9.569 -8.522 15.912 332 1HH2 ARG 39 HH21 ARG 39 -9.422 -10.486 13.058 333 2HH2 ARG 39 HH22 ARG 39 -9.247 -10.451 14.781 334 H GLU 40 HN GLU 40 -8.797 -8.427 10.250 335 HA GLU 40 HA GLU 40 -6.818 -10.151 9.416 336 1HB GLU 40 HB2 GLU 40 -8.684 -10.441 11.108 337 2HB GLU 40 HB1 GLU 40 -9.741 -10.854 9.768 338 1HG GLU 40 HG2 GLU 40 -7.718 -12.535 9.218 339 2HG GLU 40 HG1 GLU 40 -7.495 -12.410 10.963 340 H ALA 41 HN ALA 41 -9.984 -9.662 7.852 341 HA ALA 41 HA ALA 41 -9.686 -11.443 5.672 342 1HB ALA 41 HB1 ALA 41 -11.803 -10.540 5.794 343 2HB ALA 41 HB2 ALA 41 -11.134 -9.404 4.623 344 3HB ALA 41 HB3 ALA 41 -11.207 -8.970 6.331 345 H ALA 42 HN ALA 42 -8.449 -8.155 6.146 346 HA ALA 42 HA ALA 42 -7.589 -7.519 3.541 347 1HB ALA 42 HB1 ALA 42 -7.494 -6.060 5.563 348 2HB ALA 42 HB2 ALA 42 -5.960 -6.093 4.697 349 3HB ALA 42 HB3 ALA 42 -6.158 -7.036 6.172 350 H VAL 43 HN VAL 43 -5.642 -9.105 6.082 351 HA VAL 43 HA VAL 43 -3.389 -9.742 4.541 352 HB VAL 43 HB VAL 43 -4.221 -10.194 7.073 353 1HG1 VAL 43 HG11 VAL 43 -4.496 -12.573 7.501 354 2HG1 VAL 43 HG12 VAL 43 -4.291 -12.941 5.789 355 3HG1 VAL 43 HG13 VAL 43 -5.717 -12.064 6.336 356 1HG2 VAL 43 HG21 VAL 43 -2.088 -11.729 5.563 357 2HG2 VAL 43 HG22 VAL 43 -2.196 -11.655 7.322 358 3HG2 VAL 43 HG23 VAL 43 -1.892 -10.185 6.394 359 H GLU 44 HN GLU 44 -6.515 -11.375 4.695 360 HA GLU 44 HA GLU 44 -5.778 -13.589 2.969 361 1HB GLU 44 HB2 GLU 44 -7.684 -13.343 4.697 362 2HB GLU 44 HB1 GLU 44 -8.533 -12.436 3.446 363 1HG GLU 44 HG2 GLU 44 -8.203 -14.398 1.903 364 2HG GLU 44 HG1 GLU 44 -7.565 -15.301 3.278 365 H GLN 45 HN GLN 45 -7.683 -10.611 2.494 366 HA GLN 45 HA GLN 45 -8.090 -10.874 -0.316 367 1HB GLN 45 HB2 GLN 45 -8.190 -8.769 1.776 368 2HB GLN 45 HB1 GLN 45 -8.026 -8.184 0.120 369 1HG GLN 45 HG2 GLN 45 -10.036 -10.332 0.623 370 2HG GLN 45 HG1 GLN 45 -10.422 -8.706 1.189 371 1HE2 GLN 45 HE21 GLN 45 -11.863 -7.931 -0.390 372 2HE2 GLN 45 HE22 GLN 45 -11.533 -7.908 -2.055 373 H LEU 46 HN LEU 46 -5.410 -9.568 1.589 374 HA LEU 46 HA LEU 46 -3.975 -8.527 -0.738 375 1HB LEU 46 HB2 LEU 46 -3.906 -7.812 1.762 376 2HB LEU 46 HB1 LEU 46 -2.830 -9.194 1.978 377 HG LEU 46 HG LEU 46 -2.281 -7.258 -0.246 378 1HD1 LEU 46 HD11 LEU 46 -1.727 -6.832 2.697 379 2HD1 LEU 46 HD12 LEU 46 -2.517 -5.727 1.571 380 3HD1 LEU 46 HD13 LEU 46 -0.786 -6.039 1.433 381 1HD2 LEU 46 HD21 LEU 46 -0.731 -8.957 -0.361 382 2HD2 LEU 46 HD22 LEU 46 -0.848 -9.321 1.361 383 3HD2 LEU 46 HD23 LEU 46 0.096 -7.935 0.815 384 H LYS 47 HN LYS 47 -4.001 -11.475 1.204 385 HA LYS 47 HA LYS 47 -1.653 -12.764 0.429 386 1HB LYS 47 HB2 LYS 47 -4.015 -13.389 1.711 387 2HB LYS 47 HB1 LYS 47 -4.099 -14.409 0.274 388 1HG LYS 47 HG2 LYS 47 -2.138 -15.569 0.823 389 2HG LYS 47 HG1 LYS 47 -1.567 -14.289 1.895 390 1HD LYS 47 HD2 LYS 47 -4.083 -15.857 2.480 391 2HD LYS 47 HD1 LYS 47 -2.496 -16.401 3.026 392 1HE LYS 47 HE2 LYS 47 -3.016 -13.557 3.601 393 2HE LYS 47 HE1 LYS 47 -4.107 -14.676 4.445 394 1HZ LYS 47 HZ1 LYS 47 -2.231 -15.949 5.196 395 2HZ LYS 47 HZ2 LYS 47 -1.990 -14.327 5.640 396 3HZ LYS 47 HZ3 LYS 47 -1.154 -14.981 4.313 397 H SER 48 HN SER 48 -4.668 -12.368 -1.386 398 HA SER 48 HA SER 48 -3.706 -13.897 -3.702 399 1HB SER 48 HB2 SER 48 -5.898 -13.626 -4.432 400 2HB SER 48 HB1 SER 48 -6.130 -13.396 -2.701 401 HG SER 48 HG SER 48 -7.092 -11.703 -3.834 402 H ILE 49 HN ILE 49 -4.065 -10.475 -2.797 403 HA ILE 49 HA ILE 49 -3.425 -9.390 -5.373 404 HB ILE 49 HB ILE 49 -4.345 -8.422 -3.027 405 1HG1 ILE 49 HG12 ILE 49 -4.448 -7.350 -5.266 406 2HG1 ILE 49 HG11 ILE 49 -4.074 -6.193 -3.988 407 1HG2 ILE 49 HG21 ILE 49 -2.297 -8.492 -1.776 408 2HG2 ILE 49 HG22 ILE 49 -2.584 -6.803 -2.184 409 3HG2 ILE 49 HG23 ILE 49 -1.395 -7.737 -3.089 410 1HD1 ILE 49 HD11 ILE 49 -2.264 -7.325 -6.101 411 2HD1 ILE 49 HD12 ILE 49 -1.582 -6.767 -4.574 412 3HD1 ILE 49 HD13 ILE 49 -2.477 -5.648 -5.602 413 H ARG 50 HN ARG 50 -1.358 -9.922 -2.498 414 HA ARG 50 HA ARG 50 1.106 -9.197 -3.783 415 1HB ARG 50 HB2 ARG 50 2.080 -10.471 -1.863 416 2HB ARG 50 HB1 ARG 50 0.802 -9.371 -1.347 417 1HG ARG 50 HG2 ARG 50 -0.055 -11.203 -0.308 418 2HG ARG 50 HG1 ARG 50 -0.633 -11.632 -1.918 419 1HD ARG 50 HD2 ARG 50 0.763 -13.415 -2.013 420 2HD ARG 50 HD1 ARG 50 2.154 -12.416 -1.546 421 HE ARG 50 HE ARG 50 1.019 -12.578 0.835 422 1HH1 ARG 50 HH11 ARG 50 -0.708 -14.760 -0.678 423 2HH1 ARG 50 HH12 ARG 50 0.006 -16.186 -0.004 424 1HH2 ARG 50 HH21 ARG 50 2.747 -14.513 1.307 425 2HH2 ARG 50 HH22 ARG 50 1.963 -16.047 1.120 426 H GLU 51 HN GLU 51 -0.833 -12.114 -3.694 427 HA GLU 51 HA GLU 51 1.134 -13.914 -4.865 428 1HB GLU 51 HB2 GLU 51 -0.685 -14.850 -3.642 429 2HB GLU 51 HB1 GLU 51 -1.863 -13.821 -4.439 430 1HG GLU 51 HG2 GLU 51 -1.786 -16.279 -5.179 431 2HG GLU 51 HG1 GLU 51 -1.753 -15.060 -6.451 432 H ASP 52 HN ASP 52 -1.850 -12.442 -6.140 433 HA ASP 52 HA ASP 52 -1.484 -12.968 -8.882 434 1HB ASP 52 HB2 ASP 52 -3.016 -11.212 -7.176 435 2HB ASP 52 HB1 ASP 52 -2.463 -10.304 -8.583 436 H ILE 53 HN ILE 53 -0.363 -10.128 -7.011 437 HA ILE 53 HA ILE 53 1.193 -8.907 -9.079 438 HB ILE 53 HB ILE 53 1.457 -8.961 -6.053 439 1HG1 ILE 53 HG12 ILE 53 -0.733 -8.179 -7.198 440 2HG1 ILE 53 HG11 ILE 53 0.003 -7.097 -6.017 441 1HG2 ILE 53 HG21 ILE 53 2.713 -6.880 -6.280 442 2HG2 ILE 53 HG22 ILE 53 2.541 -6.937 -8.035 443 3HG2 ILE 53 HG23 ILE 53 3.513 -8.151 -7.204 444 1HD1 ILE 53 HD11 ILE 53 1.098 -5.849 -7.853 445 2HD1 ILE 53 HD12 ILE 53 -0.657 -5.850 -8.030 446 3HD1 ILE 53 HD13 ILE 53 0.330 -6.919 -9.027 447 H VAL 54 HN VAL 54 1.712 -11.678 -7.069 448 HA VAL 54 HA VAL 54 4.619 -11.790 -7.423 449 HB VAL 54 HB VAL 54 2.436 -13.242 -6.015 450 1HG1 VAL 54 HG11 VAL 54 4.034 -15.128 -5.477 451 2HG1 VAL 54 HG12 VAL 54 5.025 -14.576 -6.828 452 3HG1 VAL 54 HG13 VAL 54 3.382 -15.150 -7.116 453 1HG2 VAL 54 HG21 VAL 54 5.264 -12.798 -5.100 454 2HG2 VAL 54 HG22 VAL 54 3.791 -12.903 -4.135 455 3HG2 VAL 54 HG23 VAL 54 4.102 -11.472 -5.118 456 H SER 55 HN SER 55 1.879 -13.858 -8.453 457 HA SER 55 HA SER 55 3.605 -15.104 -10.526 458 1HB SER 55 HB2 SER 55 1.749 -16.081 -8.795 459 2HB SER 55 HB1 SER 55 0.745 -15.829 -10.220 460 HG SER 55 HG SER 55 2.547 -16.960 -11.352 461 H GLY 56 HN GLY 56 0.585 -13.256 -10.259 462 1HA GLY 56 HA2 GLY 56 0.553 -12.918 -13.216 463 2HA GLY 56 HA1 GLY 56 -0.816 -12.606 -12.145 464 H LYS 57 HN LYS 57 2.481 -11.498 -12.767 465 HA LYS 57 HA LYS 57 2.354 -9.032 -11.353 466 1HB LYS 57 HB2 LYS 57 4.371 -10.264 -12.193 467 2HB LYS 57 HB1 LYS 57 3.945 -9.762 -13.829 468 1HG LYS 57 HG2 LYS 57 4.598 -7.596 -13.480 469 2HG LYS 57 HG1 LYS 57 4.070 -7.601 -11.796 470 1HD LYS 57 HD2 LYS 57 6.025 -8.830 -11.109 471 2HD LYS 57 HD1 LYS 57 6.501 -9.114 -12.783 472 1HE LYS 57 HE2 LYS 57 6.885 -6.708 -13.114 473 2HE LYS 57 HE1 LYS 57 6.349 -6.382 -11.453 474 1HZ LYS 57 HZ1 LYS 57 8.796 -6.638 -11.664 475 2HZ LYS 57 HZ2 LYS 57 8.555 -8.245 -12.158 476 3HZ LYS 57 HZ3 LYS 57 8.092 -7.754 -10.599 477 H ALA 58 HN ALA 58 -0.075 -8.922 -12.509 478 HA ALA 58 HA ALA 58 -0.378 -7.828 -15.092 479 1HB ALA 58 HB1 ALA 58 -2.542 -7.337 -14.302 480 2HB ALA 58 HB2 ALA 58 -1.960 -6.957 -12.681 481 3HB ALA 58 HB3 ALA 58 -2.022 -8.634 -13.226 482 H ASN 59 HN ASN 59 -1.607 -5.315 -14.672 483 HA ASN 59 HA ASN 59 0.637 -3.525 -14.782 484 1HB ASN 59 HB2 ASN 59 -2.302 -2.961 -14.282 485 2HB ASN 59 HB1 ASN 59 -1.123 -1.846 -14.975 486 1HD2 ASN 59 HD21 ASN 59 -2.907 -1.974 -16.808 487 2HD2 ASN 59 HD22 ASN 59 -2.667 -3.172 -17.987 488 H PHE 60 HN PHE 60 -0.464 -1.354 -13.165 489 HA PHE 60 HA PHE 60 -0.712 -2.149 -10.399 490 1HB PHE 60 HB2 PHE 60 1.603 -2.866 -10.845 491 2HB PHE 60 HB1 PHE 60 2.004 -1.243 -11.405 492 HD1 PHE 60 HD1 PHE 60 1.448 0.706 -9.715 493 HD2 PHE 60 HD2 PHE 60 1.963 -3.409 -8.599 494 HE1 PHE 60 HE1 PHE 60 1.928 1.400 -7.384 495 HE2 PHE 60 HE2 PHE 60 2.444 -2.715 -6.266 496 HZ PHE 60 HZ PHE 60 2.426 -0.311 -5.660 497 H GLU 61 HN GLU 61 0.307 0.334 -12.710 498 HA GLU 61 HA GLU 61 0.020 2.595 -10.946 499 1HB GLU 61 HB2 GLU 61 -0.054 2.204 -13.949 500 2HB GLU 61 HB1 GLU 61 -0.072 3.795 -13.190 501 1HG GLU 61 HG2 GLU 61 2.047 3.137 -11.976 502 2HG GLU 61 HG1 GLU 61 2.098 1.694 -12.990 503 H GLU 62 HN GLU 62 -1.988 2.267 -13.843 504 HA GLU 62 HA GLU 62 -4.208 3.697 -13.026 505 1HB GLU 62 HB2 GLU 62 -4.022 2.833 -15.257 506 2HB GLU 62 HB1 GLU 62 -3.929 1.171 -14.678 507 1HG GLU 62 HG2 GLU 62 -6.294 1.627 -13.681 508 2HG GLU 62 HG1 GLU 62 -6.328 2.988 -14.802 509 H VAL 63 HN VAL 63 -3.404 0.347 -12.175 510 HA VAL 63 HA VAL 63 -5.873 -0.336 -10.908 511 HB VAL 63 HB VAL 63 -3.089 -1.221 -10.104 512 1HG1 VAL 63 HG11 VAL 63 -5.211 -1.986 -8.869 513 2HG1 VAL 63 HG12 VAL 63 -4.143 -3.254 -9.468 514 3HG1 VAL 63 HG13 VAL 63 -5.620 -2.856 -10.347 515 1HG2 VAL 63 HG21 VAL 63 -4.573 -1.575 -12.649 516 2HG2 VAL 63 HG22 VAL 63 -3.856 -3.038 -11.972 517 3HG2 VAL 63 HG23 VAL 63 -2.838 -1.645 -12.339 518 H ALA 64 HN ALA 64 -2.856 1.045 -9.603 519 HA ALA 64 HA ALA 64 -3.679 1.265 -6.884 520 1HB ALA 64 HB1 ALA 64 -1.890 3.178 -8.402 521 2HB ALA 64 HB2 ALA 64 -1.382 1.542 -7.983 522 3HB ALA 64 HB3 ALA 64 -1.769 2.698 -6.709 523 H THR 65 HN THR 65 -3.830 3.675 -9.524 524 HA THR 65 HA THR 65 -4.953 5.823 -8.095 525 HB THR 65 HB THR 65 -6.089 5.658 -10.720 526 HG1 THR 65 HG1 THR 65 -4.721 4.048 -11.264 527 1HG2 THR 65 HG21 THR 65 -3.850 7.137 -9.372 528 2HG2 THR 65 HG22 THR 65 -5.378 7.761 -9.992 529 3HG2 THR 65 HG23 THR 65 -4.093 7.305 -11.111 530 H ARG 66 HN ARG 66 -6.641 3.081 -9.669 531 HA ARG 66 HA ARG 66 -9.242 4.116 -8.688 532 1HB ARG 66 HB2 ARG 66 -8.645 3.150 -11.027 533 2HB ARG 66 HB1 ARG 66 -8.760 1.577 -10.233 534 1HG ARG 66 HG2 ARG 66 -11.016 3.110 -9.410 535 2HG ARG 66 HG1 ARG 66 -10.893 3.256 -11.163 536 1HD ARG 66 HD2 ARG 66 -10.758 0.781 -11.351 537 2HD ARG 66 HD1 ARG 66 -10.949 0.655 -9.591 538 HE ARG 66 HE ARG 66 -13.065 2.245 -10.267 539 1HH1 ARG 66 HH11 ARG 66 -13.152 -0.800 -9.673 540 2HH1 ARG 66 HH12 ARG 66 -14.107 -1.345 -11.011 541 1HH2 ARG 66 HH21 ARG 66 -13.732 1.593 -12.814 542 2HH2 ARG 66 HH22 ARG 66 -14.436 0.011 -12.790 543 H VAL 67 HN VAL 67 -7.022 1.422 -8.095 544 HA VAL 67 HA VAL 67 -8.966 0.077 -6.332 545 HB VAL 67 HB VAL 67 -7.166 -0.890 -7.999 546 1HG1 VAL 67 HG11 VAL 67 -5.440 -1.222 -5.615 547 2HG1 VAL 67 HG12 VAL 67 -5.419 0.388 -6.335 548 3HG1 VAL 67 HG13 VAL 67 -4.992 -1.019 -7.308 549 1HG2 VAL 67 HG21 VAL 67 -8.371 -2.549 -6.969 550 2HG2 VAL 67 HG22 VAL 67 -8.134 -1.865 -5.361 551 3HG2 VAL 67 HG23 VAL 67 -6.843 -2.794 -6.123 552 H SER 68 HN SER 68 -8.362 2.666 -5.314 553 HA SER 68 HA SER 68 -6.677 1.945 -2.934 554 1HB SER 68 HB2 SER 68 -5.589 3.963 -3.161 555 2HB SER 68 HB1 SER 68 -6.063 3.760 -4.845 556 HG SER 68 HG SER 68 -8.037 4.910 -4.213 557 H ASP 69 HN ASP 69 -7.347 4.274 -1.468 558 HA ASP 69 HA ASP 69 -10.186 3.703 -0.784 559 1HB ASP 69 HB2 ASP 69 -8.793 3.659 1.143 560 2HB ASP 69 HB1 ASP 69 -7.843 5.038 0.588 561 H CYS 70 HN CYS 70 -7.886 6.257 -1.479 562 HA CYS 70 HA CYS 70 -9.612 7.729 -3.156 563 1HB CYS 70 HB2 CYS 70 -10.680 7.913 -0.832 564 2HB CYS 70 HB1 CYS 70 -9.291 8.894 -0.385 565 HG CYS 70 HG CYS 70 -10.256 10.211 -2.788 566 H SER 71 HN SER 71 -7.460 8.885 -0.555 567 HA SER 71 HA SER 71 -5.959 10.721 -2.047 568 1HB SER 71 HB2 SER 71 -5.882 10.352 0.416 569 2HB SER 71 HB1 SER 71 -5.036 8.834 0.148 570 HG SER 71 HG SER 71 -3.264 9.923 -0.115 571 H SER 72 HN SER 72 -4.958 7.389 -1.277 572 HA SER 72 HA SER 72 -2.734 7.181 -2.964 573 1HB SER 72 HB2 SER 72 -3.822 4.697 -3.123 574 2HB SER 72 HB1 SER 72 -3.032 5.300 -1.669 575 HG SER 72 HG SER 72 -4.939 5.583 -0.736 576 H ALA 73 HN ALA 73 -6.180 7.101 -3.804 577 HA ALA 73 HA ALA 73 -5.986 6.082 -6.455 578 1HB ALA 73 HB1 ALA 73 -8.017 6.809 -4.975 579 2HB ALA 73 HB2 ALA 73 -8.132 7.049 -6.718 580 3HB ALA 73 HB3 ALA 73 -7.743 8.409 -5.665 581 H LYS 74 HN LYS 74 -5.302 9.239 -5.057 582 HA LYS 74 HA LYS 74 -4.671 10.495 -7.648 583 1HB LYS 74 HB2 LYS 74 -5.661 11.529 -5.472 584 2HB LYS 74 HB1 LYS 74 -4.006 11.480 -4.865 585 1HG LYS 74 HG2 LYS 74 -3.460 12.643 -7.181 586 2HG LYS 74 HG1 LYS 74 -5.156 13.120 -7.094 587 1HD LYS 74 HD2 LYS 74 -4.840 14.405 -5.178 588 2HD LYS 74 HD1 LYS 74 -3.410 13.498 -4.683 589 1HE LYS 74 HE2 LYS 74 -2.040 14.921 -5.798 590 2HE LYS 74 HE1 LYS 74 -3.017 14.792 -7.275 591 1HZ LYS 74 HZ1 LYS 74 -4.668 16.254 -6.225 592 2HZ LYS 74 HZ2 LYS 74 -3.166 17.027 -6.414 593 3HZ LYS 74 HZ3 LYS 74 -3.644 16.449 -4.889 594 H ARG 75 HN ARG 75 -3.123 8.657 -5.180 595 HA ARG 75 HA ARG 75 -0.427 9.140 -6.403 596 1HB ARG 75 HB2 ARG 75 -0.995 10.076 -4.051 597 2HB ARG 75 HB1 ARG 75 -0.993 8.395 -3.525 598 1HG ARG 75 HG2 ARG 75 1.271 8.175 -3.760 599 2HG ARG 75 HG1 ARG 75 1.332 9.252 -5.153 600 1HD ARG 75 HD2 ARG 75 1.077 10.069 -2.238 601 2HD ARG 75 HD1 ARG 75 2.442 10.392 -3.325 602 HE ARG 75 HE ARG 75 0.182 11.418 -4.630 603 1HH1 ARG 75 HH21 ARG 75 2.645 12.361 -2.584 604 2HH1 ARG 75 HH22 ARG 75 1.876 13.807 -2.022 605 1HH2 ARG 75 HH11 ARG 75 -1.173 13.078 -3.508 606 2HH2 ARG 75 HH12 ARG 75 -0.287 14.214 -2.546 607 H GLY 76 HN GLY 76 -2.111 7.106 -7.378 608 1HA GLY 76 HA2 GLY 76 -1.647 4.612 -5.946 609 2HA GLY 76 HA1 GLY 76 -2.379 4.768 -7.541 610 H GLY 77 HN GLY 77 -0.020 6.368 -8.517 611 1HA GLY 77 HA2 GLY 77 1.478 4.206 -9.606 612 2HA GLY 77 HA1 GLY 77 1.991 5.894 -9.624 613 H ASP 78 HN ASP 78 3.526 6.566 -8.159 614 HA ASP 78 HA ASP 78 4.286 4.677 -5.987 615 1HB ASP 78 HB2 ASP 78 6.643 4.848 -6.733 616 2HB ASP 78 HB1 ASP 78 5.620 4.177 -8.005 617 H LEU 79 HN LEU 79 5.658 5.690 -4.347 618 HA LEU 79 HA LEU 79 4.916 8.441 -3.756 619 1HB LEU 79 HB2 LEU 79 6.788 6.376 -2.561 620 2HB LEU 79 HB1 LEU 79 6.570 7.973 -1.847 621 HG LEU 79 HG LEU 79 4.107 7.516 -1.721 622 1HD1 LEU 79 HD11 LEU 79 5.062 4.854 -2.784 623 2HD1 LEU 79 HD12 LEU 79 3.742 5.859 -3.379 624 3HD1 LEU 79 HD13 LEU 79 3.568 4.987 -1.856 625 1HD2 LEU 79 HD21 LEU 79 6.123 6.744 -0.022 626 2HD2 LEU 79 HD22 LEU 79 5.262 5.223 -0.260 627 3HD2 LEU 79 HD23 LEU 79 4.404 6.634 0.362 628 H GLY 80 HN GLY 80 8.138 6.977 -3.894 629 1HA GLY 80 HA2 GLY 80 9.582 8.010 -5.825 630 2HA GLY 80 HA1 GLY 80 9.245 9.513 -4.964 631 H SER 81 HN SER 81 10.087 9.798 -2.862 632 HA SER 81 HA SER 81 11.931 7.743 -1.802 633 1HB SER 81 HB2 SER 81 13.850 8.923 -2.227 634 2HB SER 81 HB1 SER 81 12.883 9.464 -3.595 635 HG SER 81 HG SER 81 13.958 11.104 -2.163 636 H PHE 82 HN PHE 82 12.238 7.957 0.412 637 HA PHE 82 HA PHE 82 11.666 10.392 1.890 638 1HB PHE 82 HB2 PHE 82 9.600 9.367 2.987 639 2HB PHE 82 HB1 PHE 82 9.392 9.824 1.299 640 HD1 PHE 82 HD1 PHE 82 9.462 8.089 -0.494 641 HD2 PHE 82 HD2 PHE 82 9.541 7.058 3.673 642 HE1 PHE 82 HE1 PHE 82 8.878 5.754 -1.066 643 HE2 PHE 82 HE2 PHE 82 8.952 4.719 3.101 644 HZ PHE 82 HZ PHE 82 8.624 4.066 0.729 645 H GLY 83 HN GLY 83 10.786 8.837 4.276 646 1HA GLY 83 HA2 GLY 83 12.092 6.607 5.045 647 2HA GLY 83 HA1 GLY 83 13.436 7.744 4.962 648 H ARG 84 HN ARG 84 13.432 9.557 6.430 649 HA ARG 84 HA ARG 84 11.945 8.987 8.940 650 1HB ARG 84 HB2 ARG 84 14.458 10.303 8.084 651 2HB ARG 84 HB1 ARG 84 13.647 11.059 9.457 652 1HG ARG 84 HG2 ARG 84 15.092 9.418 10.405 653 2HG ARG 84 HG1 ARG 84 13.477 8.711 10.461 654 1HD ARG 84 HD2 ARG 84 14.257 6.949 9.272 655 2HD ARG 84 HD1 ARG 84 14.588 8.048 7.917 656 HE ARG 84 HE ARG 84 16.858 7.780 8.496 657 1HH1 ARG 84 HH11 ARG 84 15.046 6.646 11.102 658 2HH1 ARG 84 HH12 ARG 84 16.251 6.972 12.303 659 1HH2 ARG 84 HH21 ARG 84 18.344 8.673 10.118 660 2HH2 ARG 84 HH22 ARG 84 18.121 8.122 11.745 661 H GLY 85 HN GLY 85 9.880 9.915 8.730 662 1HA GLY 85 HA2 GLY 85 9.035 12.298 9.350 663 2HA GLY 85 HA1 GLY 85 9.748 12.748 7.805 664 H GLN 86 HN GLN 86 9.001 10.611 6.208 665 HA GLN 86 HA GLN 86 6.097 11.132 5.921 666 1HB GLN 86 HB2 GLN 86 8.299 9.903 4.281 667 2HB GLN 86 HB1 GLN 86 6.623 9.676 3.814 668 1HG GLN 86 HG2 GLN 86 8.159 12.262 4.010 669 2HG GLN 86 HG1 GLN 86 7.346 11.570 2.609 670 1HE2 GLN 86 HE21 GLN 86 6.866 14.245 3.932 671 2HE2 GLN 86 HE22 GLN 86 5.221 14.244 4.350 672 H MET 87 HN MET 87 4.907 9.122 4.993 673 HA MET 87 HA MET 87 3.821 7.120 5.701 674 1HB MET 87 HB2 MET 87 6.513 6.931 4.647 675 2HB MET 87 HB1 MET 87 6.141 5.527 5.652 676 1HG MET 87 HG2 MET 87 5.487 5.257 3.229 677 2HG MET 87 HG1 MET 87 4.149 5.051 4.361 678 1HE MET 87 HE1 MET 87 6.289 7.621 2.949 679 2HE MET 87 HE2 MET 87 5.285 9.046 2.700 680 3HE MET 87 HE3 MET 87 5.448 7.857 1.412 681 H GLN 88 HN GLN 88 4.917 8.774 7.989 682 HA GLN 88 HA GLN 88 5.579 8.509 10.253 683 1HB GLN 88 HB2 GLN 88 3.129 7.450 9.558 684 2HB GLN 88 HB1 GLN 88 3.858 6.133 10.467 685 1HG GLN 88 HG2 GLN 88 4.428 8.579 11.835 686 2HG GLN 88 HG1 GLN 88 2.698 8.524 11.487 687 1HE2 GLN 88 HE21 GLN 88 4.665 7.820 13.956 688 2HE2 GLN 88 HE22 GLN 88 3.931 6.417 14.569 689 H LYS 89 HN LYS 89 5.307 5.675 11.480 690 HA LYS 89 HA LYS 89 8.062 4.829 10.717 691 1HB LYS 89 HB2 LYS 89 7.110 5.556 13.072 692 2HB LYS 89 HB1 LYS 89 6.612 3.865 13.141 693 1HG LYS 89 HG2 LYS 89 8.823 4.031 14.116 694 2HG LYS 89 HG1 LYS 89 8.974 3.221 12.556 695 1HD LYS 89 HD2 LYS 89 10.507 4.784 12.007 696 2HD LYS 89 HD1 LYS 89 9.180 5.946 11.950 697 1HE LYS 89 HE2 LYS 89 10.333 5.298 14.638 698 2HE LYS 89 HE1 LYS 89 11.267 6.356 13.561 699 1HZ LYS 89 HZ1 LYS 89 9.197 7.179 15.084 700 2HZ LYS 89 HZ2 LYS 89 8.431 6.895 13.594 701 3HZ LYS 89 HZ3 LYS 89 9.741 7.973 13.687 702 HA PRO 90 HA PRO 90 5.457 0.793 10.653 703 1HB PRO 90 HB2 PRO 90 3.021 0.988 9.429 704 2HB PRO 90 HB1 PRO 90 3.244 1.159 11.181 705 1HG PRO 90 HG2 PRO 90 2.798 3.233 9.121 706 2HG PRO 90 HG1 PRO 90 2.296 3.193 10.816 707 1HD PRO 90 HD2 PRO 90 4.444 4.629 9.803 708 2HD PRO 90 HD1 PRO 90 4.197 4.212 11.513 709 H PHE 91 HN PHE 91 4.175 2.732 7.897 710 HA PHE 91 HA PHE 91 4.663 0.905 5.853 711 1HB PHE 91 HB2 PHE 91 3.500 3.024 5.523 712 2HB PHE 91 HB1 PHE 91 4.980 3.923 5.862 713 HD1 PHE 91 HD1 PHE 91 7.065 3.276 4.348 714 HD2 PHE 91 HD2 PHE 91 2.973 2.533 3.280 715 HE1 PHE 91 HE1 PHE 91 7.726 3.067 1.993 716 HE2 PHE 91 HE2 PHE 91 3.651 2.350 0.893 717 HZ PHE 91 HZ PHE 91 6.024 2.618 0.254 718 H GLU 92 HN GLU 92 6.930 3.521 6.772 719 HA GLU 92 HA GLU 92 9.069 2.887 5.137 720 1HB GLU 92 HB2 GLU 92 10.476 3.763 7.089 721 2HB GLU 92 HB1 GLU 92 9.163 4.805 6.548 722 1HG GLU 92 HG2 GLU 92 8.528 4.841 8.719 723 2HG GLU 92 HG1 GLU 92 7.926 3.209 8.437 724 H GLU 93 HN GLU 93 8.653 1.524 8.431 725 HA GLU 93 HA GLU 93 10.777 -0.299 8.415 726 1HB GLU 93 HB2 GLU 93 9.502 -0.030 10.395 727 2HB GLU 93 HB1 GLU 93 7.979 -0.316 9.553 728 1HG GLU 93 HG2 GLU 93 8.514 -2.294 10.850 729 2HG GLU 93 HG1 GLU 93 8.721 -2.678 9.141 730 H ALA 94 HN ALA 94 7.837 -0.336 6.563 731 HA ALA 94 HA ALA 94 7.858 -3.154 5.866 732 1HB ALA 94 HB1 ALA 94 6.699 -1.007 4.123 733 2HB ALA 94 HB2 ALA 94 6.050 -1.179 5.753 734 3HB ALA 94 HB3 ALA 94 5.977 -2.535 4.628 735 H THR 95 HN THR 95 8.539 -0.247 3.926 736 HA THR 95 HA THR 95 9.862 -1.705 1.820 737 HB THR 95 HB THR 95 10.442 1.177 2.357 738 HG1 THR 95 HG1 THR 95 8.425 1.445 2.903 739 1HG2 THR 95 HG21 THR 95 10.752 1.126 0.131 740 2HG2 THR 95 HG22 THR 95 9.096 0.571 -0.113 741 3HG2 THR 95 HG23 THR 95 10.388 -0.600 0.149 742 H TYR 96 HN TYR 96 10.893 -0.297 4.858 743 HA TYR 96 HA TYR 96 13.748 -0.331 4.236 744 1HB TYR 96 HB2 TYR 96 11.930 0.189 6.538 745 2HB TYR 96 HB1 TYR 96 13.574 -0.297 6.939 746 HD1 TYR 96 HD1 TYR 96 11.495 2.443 6.091 747 HD2 TYR 96 HD2 TYR 96 15.479 0.923 5.568 748 HE1 TYR 96 HE1 TYR 96 12.298 4.730 5.564 749 HE2 TYR 96 HE2 TYR 96 16.283 3.210 5.042 750 HH TYR 96 HH TYR 96 14.963 5.843 5.804 751 H ALA 97 HN ALA 97 11.350 -2.585 5.332 752 HA ALA 97 HA ALA 97 13.291 -4.505 6.440 753 1HB ALA 97 HB1 ALA 97 11.161 -4.325 7.515 754 2HB ALA 97 HB2 ALA 97 11.103 -5.844 6.620 755 3HB ALA 97 HB3 ALA 97 10.300 -4.410 5.978 756 H LEU 98 HN LEU 98 10.885 -4.555 3.763 757 HA LEU 98 HA LEU 98 12.377 -6.825 2.537 758 1HB LEU 98 HB2 LEU 98 9.886 -6.834 2.923 759 2HB LEU 98 HB1 LEU 98 9.756 -5.524 1.751 760 HG LEU 98 HG LEU 98 11.186 -8.070 1.022 761 1HD1 LEU 98 HD11 LEU 98 8.400 -7.836 1.699 762 2HD1 LEU 98 HD12 LEU 98 9.270 -9.249 1.101 763 3HD1 LEU 98 HD13 LEU 98 8.549 -8.111 -0.037 764 1HD2 LEU 98 HD21 LEU 98 11.399 -6.916 -0.905 765 2HD2 LEU 98 HD22 LEU 98 10.411 -5.602 -0.267 766 3HD2 LEU 98 HD23 LEU 98 9.646 -6.967 -1.080 767 H LYS 99 HN LYS 99 12.909 -6.748 0.248 768 HA LYS 99 HA LYS 99 13.617 -3.997 -0.679 769 1HB LYS 99 HB2 LYS 99 15.026 -5.447 -2.321 770 2HB LYS 99 HB1 LYS 99 15.517 -5.422 -0.629 771 1HG LYS 99 HG2 LYS 99 14.517 -7.552 -0.207 772 2HG LYS 99 HG1 LYS 99 13.666 -7.533 -1.751 773 1HD LYS 99 HD2 LYS 99 15.542 -8.119 -2.949 774 2HD LYS 99 HD1 LYS 99 16.635 -7.292 -1.839 775 1HE LYS 99 HE2 LYS 99 16.816 -9.811 -1.740 776 2HE LYS 99 HE1 LYS 99 16.370 -9.082 -0.184 777 1HZ LYS 99 HZ1 LYS 99 14.904 -10.951 -0.836 778 2HZ LYS 99 HZ2 LYS 99 14.416 -10.060 -2.198 779 3HZ LYS 99 HZ3 LYS 99 14.068 -9.489 -0.636 780 H VAL 100 HN VAL 100 13.519 -6.332 -3.183 781 HA VAL 100 HA VAL 100 10.700 -5.636 -3.860 782 HB VAL 100 HB VAL 100 11.281 -4.792 -5.975 783 1HG1 VAL 100 HG11 VAL 100 13.261 -3.885 -3.895 784 2HG1 VAL 100 HG12 VAL 100 11.773 -3.091 -4.409 785 3HG1 VAL 100 HG13 VAL 100 13.169 -3.134 -5.485 786 1HG2 VAL 100 HG21 VAL 100 13.706 -4.868 -6.776 787 2HG2 VAL 100 HG22 VAL 100 12.844 -6.407 -6.771 788 3HG2 VAL 100 HG23 VAL 100 13.990 -6.035 -5.485 789 H GLY 101 HN GLY 101 12.728 -8.051 -3.260 790 1HA GLY 101 HA2 GLY 101 12.162 -9.759 -5.589 791 2HA GLY 101 HA1 GLY 101 13.048 -10.241 -4.138 792 H ASP 102 HN ASP 102 10.541 -8.788 -2.799 793 HA ASP 102 HA ASP 102 8.742 -11.189 -2.921 794 1HB ASP 102 HB2 ASP 102 10.228 -9.880 -0.745 795 2HB ASP 102 HB1 ASP 102 8.523 -10.133 -0.378 796 H ILE 103 HN ILE 103 9.051 -7.751 -2.983 797 HA ILE 103 HA ILE 103 7.437 -6.065 -3.346 798 HB ILE 103 HB ILE 103 5.451 -8.350 -3.460 799 1HG1 ILE 103 HG12 ILE 103 7.333 -7.344 -5.618 800 2HG1 ILE 103 HG11 ILE 103 7.367 -8.942 -4.872 801 1HG2 ILE 103 HG21 ILE 103 5.090 -6.351 -5.455 802 2HG2 ILE 103 HG22 ILE 103 5.345 -5.523 -3.919 803 3HG2 ILE 103 HG23 ILE 103 4.047 -6.706 -4.078 804 1HD1 ILE 103 HD11 ILE 103 4.760 -8.802 -5.683 805 2HD1 ILE 103 HD12 ILE 103 6.050 -9.536 -6.636 806 3HD1 ILE 103 HD13 ILE 103 5.559 -7.872 -6.951 807 H SER 104 HN SER 104 8.084 -5.965 -0.887 808 HA SER 104 HA SER 104 7.406 -5.645 1.355 809 1HB SER 104 HB2 SER 104 5.925 -3.970 1.019 810 2HB SER 104 HB1 SER 104 5.454 -4.653 -0.534 811 HG SER 104 HG SER 104 4.021 -6.019 0.583 812 H ASP 105 HN ASP 105 5.182 -6.293 2.777 813 HA ASP 105 HA ASP 105 4.448 -9.102 2.122 814 1HB ASP 105 HB2 ASP 105 5.159 -9.734 4.457 815 2HB ASP 105 HB1 ASP 105 6.500 -9.249 3.419 816 H ILE 106 HN ILE 106 2.288 -8.163 1.863 817 HA ILE 106 HA ILE 106 0.182 -7.392 2.640 818 HB ILE 106 HB ILE 106 0.878 -8.704 5.251 819 1HG1 ILE 106 HG12 ILE 106 0.621 -10.165 2.599 820 2HG1 ILE 106 HG11 ILE 106 2.075 -10.077 3.593 821 1HG2 ILE 106 HG21 ILE 106 -1.364 -9.859 4.549 822 2HG2 ILE 106 HG22 ILE 106 -1.462 -8.555 3.367 823 3HG2 ILE 106 HG23 ILE 106 -1.400 -8.180 5.089 824 1HD1 ILE 106 HD11 ILE 106 -0.045 -10.949 5.278 825 2HD1 ILE 106 HD12 ILE 106 1.370 -11.864 4.758 826 3HD1 ILE 106 HD13 ILE 106 -0.114 -11.916 3.805 827 H VAL 107 HN VAL 107 1.237 -5.150 2.729 828 HA VAL 107 HA VAL 107 2.071 -4.138 5.348 829 HB VAL 107 HB VAL 107 1.369 -2.678 2.785 830 1HG1 VAL 107 HG11 VAL 107 2.778 -0.937 3.623 831 2HG1 VAL 107 HG12 VAL 107 3.392 -1.963 4.919 832 3HG1 VAL 107 HG13 VAL 107 1.725 -1.388 4.964 833 1HG2 VAL 107 HG21 VAL 107 3.281 -3.444 1.838 834 2HG2 VAL 107 HG22 VAL 107 3.267 -4.690 3.085 835 3HG2 VAL 107 HG23 VAL 107 4.197 -3.212 3.326 836 H ASP 108 HN ASP 108 0.772 -3.126 6.832 837 HA ASP 108 HA ASP 108 -2.009 -2.336 6.015 838 1HB ASP 108 HB2 ASP 108 -1.309 -3.501 8.711 839 2HB ASP 108 HB1 ASP 108 -2.876 -3.459 7.906 840 H THR 109 HN THR 109 -2.257 -0.152 6.450 841 HA THR 109 HA THR 109 -0.901 0.956 8.874 842 HB THR 109 HB THR 109 -0.324 2.941 7.368 843 HG1 THR 109 HG1 THR 109 -0.900 2.816 5.365 844 1HG2 THR 109 HG21 THR 109 0.901 0.259 6.666 845 2HG2 THR 109 HG22 THR 109 1.322 1.222 8.083 846 3HG2 THR 109 HG23 THR 109 1.665 1.836 6.465 847 H ASP 110 HN ASP 110 -1.666 3.542 8.729 848 HA ASP 110 HA ASP 110 -4.215 3.756 9.739 849 1HB ASP 110 HB2 ASP 110 -2.569 5.607 8.008 850 2HB ASP 110 HB1 ASP 110 -4.082 6.130 8.750 851 H SER 111 HN SER 111 -3.652 4.818 6.360 852 HA SER 111 HA SER 111 -6.229 4.963 5.425 853 1HB SER 111 HB2 SER 111 -3.725 3.842 4.156 854 2HB SER 111 HB1 SER 111 -5.200 4.103 3.232 855 HG SER 111 HG SER 111 -3.341 5.879 4.049 856 H GLY 112 HN GLY 112 -4.380 1.987 5.927 857 1HA GLY 112 HA2 GLY 112 -6.199 0.205 6.718 858 2HA GLY 112 HA1 GLY 112 -6.684 0.356 5.029 859 H VAL 113 HN VAL 113 -5.858 -1.263 3.821 860 HA VAL 113 HA VAL 113 -3.223 -2.433 4.619 861 HB VAL 113 HB VAL 113 -4.606 -3.931 2.578 862 1HG1 VAL 113 HG11 VAL 113 -4.456 -4.683 5.486 863 2HG1 VAL 113 HG12 VAL 113 -2.984 -4.569 4.522 864 3HG1 VAL 113 HG13 VAL 113 -4.251 -5.705 4.063 865 1HG2 VAL 113 HG21 VAL 113 -6.633 -4.530 3.940 866 2HG2 VAL 113 HG22 VAL 113 -6.679 -2.887 3.304 867 3HG2 VAL 113 HG23 VAL 113 -6.272 -3.165 4.997 868 H HIS 114 HN HIS 114 -1.535 -2.520 3.090 869 HA HIS 114 HA HIS 114 -2.080 -1.372 0.382 870 1HB HIS 114 HB2 HIS 114 0.059 -0.507 2.343 871 2HB HIS 114 HB1 HIS 114 -0.133 0.124 0.713 872 HD1 HIS 114 HD1 HIS 114 -1.483 2.199 0.579 873 HD2 HIS 114 HD2 HIS 114 -2.449 -0.036 3.962 874 HE1 HIS 114 HE1 HIS 114 -3.145 3.579 1.897 875 H ILE 115 HN ILE 115 0.124 -1.452 -0.873 876 HA ILE 115 HA ILE 115 1.817 -3.791 -0.179 877 HB ILE 115 HB ILE 115 1.429 -4.536 -2.633 878 1HG1 ILE 115 HG12 ILE 115 -1.056 -2.844 -2.221 879 2HG1 ILE 115 HG11 ILE 115 0.285 -2.409 -3.281 880 1HG2 ILE 115 HG21 ILE 115 -1.163 -5.016 -1.448 881 2HG2 ILE 115 HG22 ILE 115 0.098 -5.128 -0.220 882 3HG2 ILE 115 HG23 ILE 115 0.181 -6.137 -1.664 883 1HD1 ILE 115 HD11 ILE 115 -1.938 -4.065 -3.896 884 2HD1 ILE 115 HD12 ILE 115 -0.519 -5.110 -3.849 885 3HD1 ILE 115 HD13 ILE 115 -0.546 -3.708 -4.918 886 H ILE 116 HN ILE 116 3.919 -3.109 -0.559 887 HA ILE 116 HA ILE 116 4.267 -0.757 -2.373 888 HB ILE 116 HB ILE 116 5.779 -1.862 -0.003 889 1HG1 ILE 116 HG12 ILE 116 5.008 0.930 0.024 890 2HG1 ILE 116 HG11 ILE 116 3.611 -0.093 -0.294 891 1HG2 ILE 116 HG21 ILE 116 6.511 0.330 -1.956 892 2HG2 ILE 116 HG22 ILE 116 7.491 -1.047 -1.455 893 3HG2 ILE 116 HG23 ILE 116 7.172 0.267 -0.322 894 1HD1 ILE 116 HD11 ILE 116 3.961 0.245 2.140 895 2HD1 ILE 116 HD12 ILE 116 5.562 -0.480 1.995 896 3HD1 ILE 116 HD13 ILE 116 4.123 -1.451 1.683 897 H LYS 117 HN LYS 117 6.336 -0.651 -3.560 898 HA LYS 117 HA LYS 117 7.918 -3.047 -4.047 899 1HB LYS 117 HB2 LYS 117 7.056 -3.157 -6.485 900 2HB LYS 117 HB1 LYS 117 5.997 -3.809 -5.235 901 1HG LYS 117 HG2 LYS 117 4.406 -2.272 -5.665 902 2HG LYS 117 HG1 LYS 117 5.576 -0.954 -5.594 903 1HD LYS 117 HD2 LYS 117 4.481 -1.172 -7.837 904 2HD LYS 117 HD1 LYS 117 6.235 -1.347 -7.905 905 1HE LYS 117 HE2 LYS 117 6.073 -3.746 -8.075 906 2HE LYS 117 HE1 LYS 117 4.335 -3.709 -7.715 907 1HZ LYS 117 HZ1 LYS 117 5.745 -2.847 -10.145 908 2HZ LYS 117 HZ2 LYS 117 4.322 -2.032 -9.698 909 3HZ LYS 117 HZ3 LYS 117 4.289 -3.704 -9.997 910 H ARG 118 HN ARG 118 9.901 -2.202 -4.592 911 HA ARG 118 HA ARG 118 9.973 0.506 -5.856 912 1HB ARG 118 HB2 ARG 118 11.078 0.273 -3.693 913 2HB ARG 118 HB1 ARG 118 11.996 -1.115 -4.277 914 1HG ARG 118 HG2 ARG 118 13.494 0.188 -5.393 915 2HG ARG 118 HG1 ARG 118 12.248 1.305 -5.948 916 1HD ARG 118 HD2 ARG 118 13.875 2.355 -4.336 917 2HD ARG 118 HD1 ARG 118 12.202 2.390 -3.744 918 HE ARG 118 HE ARG 118 12.943 1.004 -1.990 919 1HH1 ARG 118 HH21 ARG 118 15.776 1.448 -3.381 920 2HH1 ARG 118 HH22 ARG 118 16.354 -0.184 -3.324 921 1HH2 ARG 118 HH11 ARG 118 13.258 -1.533 -2.534 922 2HH2 ARG 118 HH12 ARG 118 14.928 -1.872 -2.843 923 H THR 119 HN THR 119 12.841 -1.400 -6.005 924 HA THR 119 HA THR 119 12.755 -1.397 -8.937 925 HB THR 119 HB THR 119 14.877 -2.727 -7.301 926 HG1 THR 119 HG1 THR 119 15.467 -0.194 -7.339 927 1HG2 THR 119 HG21 THR 119 14.596 -1.842 -9.944 928 2HG2 THR 119 HG22 THR 119 16.089 -2.366 -9.166 929 3HG2 THR 119 HG23 THR 119 15.658 -0.656 -9.185 930 H ALA 120 HN ALA 120 14.159 -3.748 -9.502 931 HA ALA 120 HA ALA 120 13.420 -6.204 -8.482 932 1HB ALA 120 HB1 ALA 120 11.160 -4.777 -9.823 933 2HB ALA 120 HB2 ALA 120 11.128 -5.863 -8.434 934 3HB ALA 120 HB3 ALA 120 11.284 -6.520 -10.063 Start of MODEL 8 1 1H HIS 1 HT1 HIS 1 33.421 14.594 5.606 2 2H HIS 1 HT2 HIS 1 32.866 13.060 6.079 3 3H HIS 1 HT3 HIS 1 31.759 14.315 5.790 4 HA HIS 1 HA HIS 1 31.837 14.079 3.544 5 1HB HIS 1 HB2 HIS 1 33.998 13.415 2.461 6 2HB HIS 1 HB1 HIS 1 34.169 14.812 3.525 7 HD1 HIS 1 HD1 HIS 1 35.662 14.567 5.567 8 HD2 HIS 1 HD2 HIS 1 35.038 10.945 3.600 9 HE1 HIS 1 HE1 HIS 1 37.233 12.893 6.634 10 H MET 2 HN MET 2 30.763 12.160 5.289 11 HA MET 2 HA MET 2 31.475 9.597 3.904 12 1HB MET 2 HB2 MET 2 30.450 8.722 6.230 13 2HB MET 2 HB1 MET 2 32.154 9.123 6.057 14 1HG MET 2 HG2 MET 2 31.432 10.216 8.050 15 2HG MET 2 HG1 MET 2 31.534 11.486 6.836 16 1HE MET 2 HE1 MET 2 29.163 11.432 9.740 17 2HE MET 2 HE2 MET 2 30.055 9.950 9.406 18 3HE MET 2 HE3 MET 2 28.296 9.945 9.330 19 H ALA 3 HN ALA 3 28.957 11.742 5.043 20 HA ALA 3 HA ALA 3 26.586 11.579 4.885 21 1HB ALA 3 HB1 ALA 3 26.737 12.336 2.745 22 2HB ALA 3 HB2 ALA 3 26.333 10.679 2.295 23 3HB ALA 3 HB3 ALA 3 28.019 11.194 2.342 24 H SER 4 HN SER 4 26.013 9.838 6.319 25 HA SER 4 HA SER 4 25.959 7.086 5.169 26 1HB SER 4 HB2 SER 4 24.983 7.188 7.835 27 2HB SER 4 HB1 SER 4 26.557 6.612 7.295 28 HG SER 4 HG SER 4 27.367 8.324 8.183 29 H ARG 5 HN ARG 5 24.098 9.179 4.235 30 HA ARG 5 HA ARG 5 21.526 9.068 5.421 31 1HB ARG 5 HB2 ARG 5 22.510 9.389 2.574 32 2HB ARG 5 HB1 ARG 5 20.825 9.633 3.035 33 1HG ARG 5 HG2 ARG 5 21.265 11.655 3.939 34 2HG ARG 5 HG1 ARG 5 22.670 11.041 4.810 35 1HD ARG 5 HD2 ARG 5 23.899 12.284 3.343 36 2HD ARG 5 HD1 ARG 5 23.510 11.025 2.153 37 HE ARG 5 HE ARG 5 21.740 12.415 1.303 38 1HH1 ARG 5 HH21 ARG 5 24.067 14.117 2.975 39 2HH1 ARG 5 HH22 ARG 5 23.101 15.526 3.261 40 1HH2 ARG 5 HH11 ARG 5 20.166 14.066 2.128 41 2HH2 ARG 5 HH12 ARG 5 20.891 15.497 2.781 42 H ASP 6 HN ASP 6 19.787 8.118 3.473 43 HA ASP 6 HA ASP 6 20.366 5.382 2.680 44 1HB ASP 6 HB2 ASP 6 19.690 5.870 5.368 45 2HB ASP 6 HB1 ASP 6 18.219 5.237 4.630 46 H GLN 7 HN GLN 7 17.424 6.940 3.946 47 HA GLN 7 HA GLN 7 15.393 7.498 2.875 48 1HB GLN 7 HB2 GLN 7 17.616 8.030 1.067 49 2HB GLN 7 HB1 GLN 7 16.132 7.667 0.184 50 1HG GLN 7 HG2 GLN 7 15.832 9.935 0.528 51 2HG GLN 7 HG1 GLN 7 15.075 9.307 1.994 52 1HE2 GLN 7 HE21 GLN 7 18.523 9.819 1.041 53 2HE2 GLN 7 HE22 GLN 7 18.923 10.712 2.428 54 H VAL 8 HN VAL 8 13.742 6.071 2.410 55 HA VAL 8 HA VAL 8 14.473 3.633 0.807 56 HB VAL 8 HB VAL 8 13.925 2.931 2.991 57 1HG1 VAL 8 HG11 VAL 8 11.977 3.821 4.242 58 2HG1 VAL 8 HG12 VAL 8 11.644 4.923 2.906 59 3HG1 VAL 8 HG13 VAL 8 13.133 5.091 3.839 60 1HG2 VAL 8 HG21 VAL 8 11.111 2.733 2.207 61 2HG2 VAL 8 HG22 VAL 8 12.300 1.452 2.439 62 3HG2 VAL 8 HG23 VAL 8 12.207 2.301 0.895 63 H LYS 9 HN LYS 9 13.689 3.874 -1.246 64 HA LYS 9 HA LYS 9 11.281 5.484 -1.804 65 1HB LYS 9 HB2 LYS 9 13.216 3.855 -3.476 66 2HB LYS 9 HB1 LYS 9 11.871 4.774 -4.149 67 1HG LYS 9 HG2 LYS 9 13.008 6.672 -2.593 68 2HG LYS 9 HG1 LYS 9 14.435 5.742 -3.045 69 1HD LYS 9 HD2 LYS 9 13.938 5.997 -5.397 70 2HD LYS 9 HD1 LYS 9 12.379 6.737 -5.036 71 1HE LYS 9 HE2 LYS 9 13.332 8.781 -4.823 72 2HE LYS 9 HE1 LYS 9 14.544 8.151 -3.690 73 1HZ LYS 9 HZ1 LYS 9 15.365 8.964 -5.956 74 2HZ LYS 9 HZ2 LYS 9 14.677 7.541 -6.578 75 3HZ LYS 9 HZ3 LYS 9 15.915 7.452 -5.418 76 H ALA 10 HN ALA 10 9.493 4.432 -3.171 77 HA ALA 10 HA ALA 10 9.170 1.630 -3.473 78 1HB ALA 10 HB1 ALA 10 9.097 0.976 -1.307 79 2HB ALA 10 HB2 ALA 10 7.512 1.745 -1.241 80 3HB ALA 10 HB3 ALA 10 8.946 2.639 -0.739 81 H SER 11 HN SER 11 7.007 0.982 -4.014 82 HA SER 11 HA SER 11 5.106 3.255 -4.476 83 1HB SER 11 HB2 SER 11 4.504 2.145 -6.502 84 2HB SER 11 HB1 SER 11 6.255 1.964 -6.419 85 HG SER 11 HG SER 11 4.286 0.084 -6.308 86 H HIS 12 HN HIS 12 2.681 2.133 -4.650 87 HA HIS 12 HA HIS 12 2.373 -0.262 -3.031 88 1HB HIS 12 HB2 HIS 12 1.713 0.751 -0.955 89 2HB HIS 12 HB1 HIS 12 3.242 1.486 -1.437 90 HD1 HIS 12 HD1 HIS 12 1.338 3.048 0.414 91 HD2 HIS 12 HD2 HIS 12 1.303 3.394 -3.740 92 HE1 HIS 12 HE1 HIS 12 0.295 5.295 -0.109 93 H ILE 13 HN ILE 13 0.026 -0.268 -2.003 94 HA ILE 13 HA ILE 13 -2.039 1.144 -3.569 95 HB ILE 13 HB ILE 13 -1.115 -1.668 -3.999 96 1HG1 ILE 13 HG12 ILE 13 -2.350 0.516 -5.681 97 2HG1 ILE 13 HG11 ILE 13 -0.689 -0.068 -5.733 98 1HG2 ILE 13 HG21 ILE 13 -4.022 -0.893 -4.351 99 2HG2 ILE 13 HG22 ILE 13 -3.425 -1.912 -3.042 100 3HG2 ILE 13 HG23 ILE 13 -3.294 -2.456 -4.714 101 1HD1 ILE 13 HD11 ILE 13 -1.689 -1.149 -7.573 102 2HD1 ILE 13 HD12 ILE 13 -3.194 -1.435 -6.699 103 3HD1 ILE 13 HD13 ILE 13 -1.754 -2.373 -6.305 104 H LEU 14 HN LEU 14 -4.302 0.205 -2.757 105 HA LEU 14 HA LEU 14 -4.151 -1.046 -0.068 106 1HB LEU 14 HB2 LEU 14 -3.851 1.243 0.522 107 2HB LEU 14 HB1 LEU 14 -5.051 1.781 -0.653 108 HG LEU 14 HG LEU 14 -6.237 -0.127 1.167 109 1HD1 LEU 14 HD11 LEU 14 -5.126 2.365 2.477 110 2HD1 LEU 14 HD12 LEU 14 -4.408 0.764 2.657 111 3HD1 LEU 14 HD13 LEU 14 -6.040 1.069 3.247 112 1HD2 LEU 14 HD21 LEU 14 -7.156 2.591 1.493 113 2HD2 LEU 14 HD22 LEU 14 -7.974 1.243 0.706 114 3HD2 LEU 14 HD23 LEU 14 -6.876 2.264 -0.214 115 H ILE 15 HN ILE 15 -6.060 -2.152 0.446 116 HA ILE 15 HA ILE 15 -8.177 -2.170 -1.651 117 HB ILE 15 HB ILE 15 -8.774 -4.310 -0.660 118 1HG1 ILE 15 HG12 ILE 15 -6.752 -3.617 1.497 119 2HG1 ILE 15 HG11 ILE 15 -8.503 -3.649 1.709 120 1HG2 ILE 15 HG21 ILE 15 -5.765 -3.952 -0.795 121 2HG2 ILE 15 HG22 ILE 15 -6.829 -4.321 -2.152 122 3HG2 ILE 15 HG23 ILE 15 -6.605 -5.501 -0.860 123 1HD1 ILE 15 HD11 ILE 15 -6.979 -6.060 0.709 124 2HD1 ILE 15 HD12 ILE 15 -8.612 -6.002 1.374 125 3HD1 ILE 15 HD13 ILE 15 -7.220 -5.760 2.430 126 H LYS 16 HN LYS 16 -10.442 -2.794 -0.369 127 HA LYS 16 HA LYS 16 -10.835 -0.509 1.527 128 1HB LYS 16 HB2 LYS 16 -12.820 -2.030 -0.192 129 2HB LYS 16 HB1 LYS 16 -13.134 -0.541 0.701 130 1HG LYS 16 HG2 LYS 16 -12.239 0.730 -0.933 131 2HG LYS 16 HG1 LYS 16 -10.800 -0.287 -1.023 132 1HD LYS 16 HD2 LYS 16 -12.265 -1.972 -2.290 133 2HD LYS 16 HD1 LYS 16 -13.438 -0.663 -2.446 134 1HE LYS 16 HE2 LYS 16 -12.154 0.475 -3.969 135 2HE LYS 16 HE1 LYS 16 -10.634 0.021 -3.173 136 1HZ LYS 16 HZ1 LYS 16 -12.352 -1.686 -4.889 137 2HZ LYS 16 HZ2 LYS 16 -11.095 -2.303 -3.925 138 3HZ LYS 16 HZ3 LYS 16 -10.751 -1.213 -5.183 139 H HIS 17 HN HIS 17 -10.301 -1.671 3.465 140 HA HIS 17 HA HIS 17 -12.082 -3.986 4.124 141 1HB HIS 17 HB2 HIS 17 -10.330 -4.691 5.574 142 2HB HIS 17 HB1 HIS 17 -9.505 -4.104 4.133 143 HD1 HIS 17 HD1 HIS 17 -10.271 -1.009 5.186 144 HD2 HIS 17 HD2 HIS 17 -7.925 -3.913 7.039 145 HE1 HIS 17 HE1 HIS 17 -8.745 0.219 6.788 146 H GLN 18 HN GLN 18 -11.520 -3.669 6.984 147 HA GLN 18 HA GLN 18 -13.701 -1.976 7.748 148 1HB GLN 18 HB2 GLN 18 -11.773 -3.789 8.900 149 2HB GLN 18 HB1 GLN 18 -11.930 -2.362 9.926 150 1HG GLN 18 HG2 GLN 18 -14.365 -3.780 8.851 151 2HG GLN 18 HG1 GLN 18 -13.577 -4.317 10.336 152 1HE2 GLN 18 HE21 GLN 18 -15.403 -3.620 11.674 153 2HE2 GLN 18 HE22 GLN 18 -15.713 -1.974 11.947 154 H GLY 19 HN GLY 19 -10.370 -1.526 8.908 155 1HA GLY 19 HA2 GLY 19 -9.092 0.424 9.184 156 2HA GLY 19 HA1 GLY 19 -10.022 1.118 7.855 157 H SER 20 HN SER 20 -9.725 3.060 9.407 158 HA SER 20 HA SER 20 -12.194 3.261 11.063 159 1HB SER 20 HB2 SER 20 -10.429 2.563 12.585 160 2HB SER 20 HB1 SER 20 -9.343 3.797 11.952 161 HG SER 20 HG SER 20 -10.217 4.683 13.747 162 H ARG 21 HN ARG 21 -10.584 4.473 8.551 163 HA ARG 21 HA ARG 21 -10.979 7.348 9.293 164 1HB ARG 21 HB2 ARG 21 -8.744 6.394 8.472 165 2HB ARG 21 HB1 ARG 21 -9.525 6.189 6.903 166 1HG ARG 21 HG2 ARG 21 -8.374 8.330 6.917 167 2HG ARG 21 HG1 ARG 21 -10.113 8.626 6.939 168 1HD ARG 21 HD2 ARG 21 -9.260 8.366 9.655 169 2HD ARG 21 HD1 ARG 21 -8.169 9.508 8.845 170 HE ARG 21 HE ARG 21 -11.058 9.840 8.300 171 1HH1 ARG 21 HH21 ARG 21 -8.514 11.732 8.171 172 2HH1 ARG 21 HH22 ARG 21 -8.979 12.890 9.372 173 1HH2 ARG 21 HH11 ARG 21 -11.547 10.934 10.642 174 2HH2 ARG 21 HH12 ARG 21 -10.696 12.437 10.773 175 H ARG 22 HN ARG 22 -13.119 5.385 8.454 176 HA ARG 22 HA ARG 22 -14.879 5.234 6.868 177 1HB ARG 22 HB2 ARG 22 -14.306 8.215 6.873 178 2HB ARG 22 HB1 ARG 22 -15.857 7.446 6.534 179 1HG ARG 22 HG2 ARG 22 -16.333 7.493 8.730 180 2HG ARG 22 HG1 ARG 22 -14.962 6.424 9.026 181 1HD ARG 22 HD2 ARG 22 -14.080 8.161 10.210 182 2HD ARG 22 HD1 ARG 22 -13.766 8.913 8.632 183 HE ARG 22 HE ARG 22 -16.179 9.811 8.846 184 1HH1 ARG 22 HH11 ARG 22 -13.752 9.723 11.227 185 2HH1 ARG 22 HH12 ARG 22 -14.701 10.509 12.444 186 1HH2 ARG 22 HH21 ARG 22 -17.602 10.531 10.545 187 2HH2 ARG 22 HH22 ARG 22 -16.880 10.966 12.058 188 H LYS 23 HN LYS 23 -14.726 7.761 4.854 189 HA LYS 23 HA LYS 23 -12.713 6.577 2.996 190 1HB LYS 23 HB2 LYS 23 -15.364 5.958 2.884 191 2HB LYS 23 HB1 LYS 23 -15.326 7.385 1.849 192 1HG LYS 23 HG2 LYS 23 -14.289 6.260 0.192 193 2HG LYS 23 HG1 LYS 23 -13.085 5.605 1.303 194 1HD LYS 23 HD2 LYS 23 -14.356 3.712 1.782 195 2HD LYS 23 HD1 LYS 23 -15.875 4.499 1.351 196 1HE LYS 23 HE2 LYS 23 -15.223 4.464 -1.036 197 2HE LYS 23 HE1 LYS 23 -13.703 3.655 -0.603 198 1HZ LYS 23 HZ1 LYS 23 -15.299 2.075 0.679 199 2HZ LYS 23 HZ2 LYS 23 -15.064 1.860 -0.990 200 3HZ LYS 23 HZ3 LYS 23 -16.459 2.643 -0.419 201 H ALA 24 HN ALA 24 -13.465 9.218 4.623 202 HA ALA 24 HA ALA 24 -13.017 11.517 4.302 203 1HB ALA 24 HB1 ALA 24 -11.819 10.539 1.693 204 2HB ALA 24 HB2 ALA 24 -10.999 10.393 3.247 205 3HB ALA 24 HB3 ALA 24 -11.373 11.987 2.593 206 H SER 25 HN SER 25 -15.301 9.876 2.777 207 HA SER 25 HA SER 25 -17.148 10.480 1.439 208 1HB SER 25 HB2 SER 25 -17.685 12.320 2.693 209 2HB SER 25 HB1 SER 25 -16.035 12.937 2.665 210 HG SER 25 HG SER 25 -16.657 14.202 1.120 211 H TRP 26 HN TRP 26 -14.124 10.507 0.383 212 HA TRP 26 HA TRP 26 -13.022 11.081 -1.650 213 1HB TRP 26 HB2 TRP 26 -15.102 9.305 -1.859 214 2HB TRP 26 HB1 TRP 26 -15.531 10.490 -3.092 215 HD1 TRP 26 HD1 TRP 26 -14.438 7.486 -3.670 216 HE1 TRP 26 HE1 TRP 26 -12.359 7.223 -5.170 217 HE3 TRP 26 HE3 TRP 26 -12.449 12.176 -3.260 218 HZ2 TRP 26 HZ2 TRP 26 -10.147 8.792 -6.076 219 HZ3 TRP 26 HZ3 TRP 26 -10.359 12.761 -4.450 220 HH2 TRP 26 HH2 TRP 26 -9.206 11.077 -5.857 221 H LYS 27 HN LYS 27 -14.700 11.864 -4.044 222 HA LYS 27 HA LYS 27 -15.314 14.696 -3.277 223 1HB LYS 27 HB2 LYS 27 -13.154 13.694 -4.788 224 2HB LYS 27 HB1 LYS 27 -14.268 14.391 -5.965 225 1HG LYS 27 HG2 LYS 27 -13.882 16.023 -3.538 226 2HG LYS 27 HG1 LYS 27 -12.438 15.842 -4.534 227 1HD LYS 27 HD2 LYS 27 -14.861 16.354 -6.106 228 2HD LYS 27 HD1 LYS 27 -14.470 17.663 -4.989 229 1HE LYS 27 HE2 LYS 27 -12.045 17.448 -5.898 230 2HE LYS 27 HE1 LYS 27 -12.788 16.554 -7.239 231 1HZ LYS 27 HZ1 LYS 27 -14.163 18.974 -6.418 232 2HZ LYS 27 HZ2 LYS 27 -13.873 18.366 -7.978 233 3HZ LYS 27 HZ3 LYS 27 -12.655 19.218 -7.154 234 H ASP 28 HN ASP 28 -15.575 12.394 -6.020 235 HA ASP 28 HA ASP 28 -18.127 13.646 -6.838 236 1HB ASP 28 HB2 ASP 28 -16.019 11.918 -7.967 237 2HB ASP 28 HB1 ASP 28 -17.648 11.535 -8.523 238 HA PRO 29 HA PRO 29 -19.761 9.248 -6.062 239 1HB PRO 29 HB2 PRO 29 -18.037 7.304 -5.206 240 2HB PRO 29 HB1 PRO 29 -18.316 7.661 -6.923 241 1HG PRO 29 HG2 PRO 29 -16.061 8.475 -5.163 242 2HG PRO 29 HG1 PRO 29 -16.046 7.984 -6.864 243 1HD PRO 29 HD2 PRO 29 -15.890 10.580 -6.035 244 2HD PRO 29 HD1 PRO 29 -16.551 10.083 -7.608 245 H GLU 30 HN GLU 30 -20.047 7.736 -4.001 246 HA GLU 30 HA GLU 30 -19.109 9.163 -1.542 247 1HB GLU 30 HB2 GLU 30 -21.474 9.743 -2.483 248 2HB GLU 30 HB1 GLU 30 -21.929 8.146 -1.886 249 1HG GLU 30 HG2 GLU 30 -22.220 9.081 0.144 250 2HG GLU 30 HG1 GLU 30 -20.472 9.308 0.212 251 H GLY 31 HN GLY 31 -21.252 7.191 -0.292 252 1HA GLY 31 HA2 GLY 31 -20.129 4.559 -0.770 253 2HA GLY 31 HA1 GLY 31 -19.539 5.261 0.736 254 H LYS 32 HN LYS 32 -21.259 2.924 0.473 255 HA LYS 32 HA LYS 32 -23.897 3.876 1.466 256 1HB LYS 32 HB2 LYS 32 -22.863 1.085 0.868 257 2HB LYS 32 HB1 LYS 32 -24.550 1.561 1.070 258 1HG LYS 32 HG2 LYS 32 -24.257 3.120 -0.895 259 2HG LYS 32 HG1 LYS 32 -22.668 2.398 -1.152 260 1HD LYS 32 HD2 LYS 32 -24.146 1.197 -2.586 261 2HD LYS 32 HD1 LYS 32 -23.868 0.135 -1.203 262 1HE LYS 32 HE2 LYS 32 -26.103 1.932 -0.694 263 2HE LYS 32 HE1 LYS 32 -26.370 0.962 -2.156 264 1HZ LYS 32 HZ1 LYS 32 -25.206 -0.307 0.226 265 2HZ LYS 32 HZ2 LYS 32 -26.131 -1.001 -1.018 266 3HZ LYS 32 HZ3 LYS 32 -26.881 -0.050 0.174 267 H ILE 33 HN ILE 33 -23.955 1.109 2.881 268 HA ILE 33 HA ILE 33 -22.289 1.826 5.263 269 HB ILE 33 HB ILE 33 -24.688 2.603 5.399 270 1HG1 ILE 33 HG12 ILE 33 -25.102 1.209 7.604 271 2HG1 ILE 33 HG11 ILE 33 -23.475 0.606 7.285 272 1HG2 ILE 33 HG21 ILE 33 -25.616 0.685 4.089 273 2HG2 ILE 33 HG22 ILE 33 -26.439 0.925 5.630 274 3HG2 ILE 33 HG23 ILE 33 -25.262 -0.375 5.454 275 1HD1 ILE 33 HD11 ILE 33 -24.191 3.067 8.493 276 2HD1 ILE 33 HD12 ILE 33 -23.525 3.461 6.908 277 3HD1 ILE 33 HD13 ILE 33 -22.573 2.518 8.054 278 H ILE 34 HN ILE 34 -21.673 -0.161 3.298 279 HA ILE 34 HA ILE 34 -22.499 -2.762 4.465 280 HB ILE 34 HB ILE 34 -20.614 -2.237 2.159 281 1HG1 ILE 34 HG12 ILE 34 -23.649 -2.211 2.160 282 2HG1 ILE 34 HG11 ILE 34 -22.587 -0.868 1.737 283 1HG2 ILE 34 HG21 ILE 34 -20.802 -4.553 2.900 284 2HG2 ILE 34 HG22 ILE 34 -21.629 -4.373 1.353 285 3HG2 ILE 34 HG23 ILE 34 -22.562 -4.457 2.847 286 1HD1 ILE 34 HD11 ILE 34 -21.779 -3.085 0.156 287 2HD1 ILE 34 HD12 ILE 34 -22.552 -1.596 -0.390 288 3HD1 ILE 34 HD13 ILE 34 -23.537 -2.992 0.049 289 H LEU 35 HN LEU 35 -20.841 -4.331 5.108 290 HA LEU 35 HA LEU 35 -18.528 -3.045 6.446 291 1HB LEU 35 HB2 LEU 35 -20.312 -5.268 6.850 292 2HB LEU 35 HB1 LEU 35 -18.650 -5.860 6.852 293 HG LEU 35 HG LEU 35 -19.538 -5.089 9.112 294 1HD1 LEU 35 HD11 LEU 35 -17.400 -3.467 9.327 295 2HD1 LEU 35 HD12 LEU 35 -17.037 -4.199 7.765 296 3HD1 LEU 35 HD13 LEU 35 -17.245 -5.218 9.188 297 1HD2 LEU 35 HD21 LEU 35 -20.075 -2.877 9.490 298 2HD2 LEU 35 HD22 LEU 35 -20.538 -2.975 7.792 299 3HD2 LEU 35 HD23 LEU 35 -18.977 -2.289 8.242 300 H THR 36 HN THR 36 -19.260 -5.171 3.756 301 HA THR 36 HA THR 36 -17.850 -6.282 2.207 302 HB THR 36 HB THR 36 -16.186 -4.722 1.327 303 HG1 THR 36 HG1 THR 36 -16.615 -2.907 3.377 304 1HG2 THR 36 HG21 THR 36 -18.497 -3.107 2.422 305 2HG2 THR 36 HG22 THR 36 -18.667 -4.245 1.086 306 3HG2 THR 36 HG23 THR 36 -17.614 -2.840 0.919 307 H THR 37 HN THR 37 -14.920 -5.869 2.143 308 HA THR 37 HA THR 37 -14.070 -8.102 3.701 309 HB THR 37 HB THR 37 -12.909 -5.948 2.012 310 HG1 THR 37 HG1 THR 37 -13.534 -8.356 1.681 311 1HG2 THR 37 HG21 THR 37 -11.421 -7.168 4.276 312 2HG2 THR 37 HG22 THR 37 -11.139 -5.647 3.431 313 3HG2 THR 37 HG23 THR 37 -10.594 -7.165 2.719 314 H THR 38 HN THR 38 -12.949 -8.195 5.676 315 HA THR 38 HA THR 38 -13.025 -5.703 7.327 316 HB THR 38 HB THR 38 -13.302 -7.267 9.215 317 HG1 THR 38 HG1 THR 38 -13.755 -9.538 8.277 318 1HG2 THR 38 HG21 THR 38 -15.351 -6.575 8.172 319 2HG2 THR 38 HG22 THR 38 -15.487 -8.309 8.465 320 3HG2 THR 38 HG23 THR 38 -15.129 -7.713 6.844 321 H ARG 39 HN ARG 39 -11.330 -5.993 9.240 322 HA ARG 39 HA ARG 39 -8.738 -5.702 8.358 323 1HB ARG 39 HB2 ARG 39 -8.178 -6.680 10.708 324 2HB ARG 39 HB1 ARG 39 -9.210 -5.255 10.624 325 1HG ARG 39 HG2 ARG 39 -10.839 -6.372 11.695 326 2HG ARG 39 HG1 ARG 39 -10.888 -7.560 10.396 327 1HD ARG 39 HD2 ARG 39 -10.397 -8.627 12.597 328 2HD ARG 39 HD1 ARG 39 -9.032 -8.809 11.476 329 HE ARG 39 HE ARG 39 -8.861 -6.347 13.007 330 1HH1 ARG 39 HH11 ARG 39 -7.312 -9.200 12.253 331 2HH1 ARG 39 HH12 ARG 39 -6.476 -9.361 13.761 332 1HH2 ARG 39 HH21 ARG 39 -8.204 -6.774 15.295 333 2HH2 ARG 39 HH22 ARG 39 -6.982 -7.987 15.486 334 H GLU 40 HN GLU 40 -10.281 -8.798 9.210 335 HA GLU 40 HA GLU 40 -7.946 -10.414 8.635 336 1HB GLU 40 HB2 GLU 40 -9.912 -10.965 10.128 337 2HB GLU 40 HB1 GLU 40 -10.889 -11.162 8.673 338 1HG GLU 40 HG2 GLU 40 -10.191 -13.351 9.032 339 2HG GLU 40 HG1 GLU 40 -8.927 -12.773 7.945 340 H ALA 41 HN ALA 41 -11.081 -10.161 6.909 341 HA ALA 41 HA ALA 41 -10.435 -11.513 4.557 342 1HB ALA 41 HB1 ALA 41 -11.907 -8.959 4.248 343 2HB ALA 41 HB2 ALA 41 -12.508 -10.019 5.521 344 3HB ALA 41 HB3 ALA 41 -12.420 -10.599 3.859 345 H ALA 42 HN ALA 42 -9.810 -8.092 5.323 346 HA ALA 42 HA ALA 42 -8.730 -7.144 2.945 347 1HB ALA 42 HB1 ALA 42 -8.818 -6.425 5.647 348 2HB ALA 42 HB2 ALA 42 -8.199 -5.430 4.330 349 3HB ALA 42 HB3 ALA 42 -7.098 -6.446 5.260 350 H VAL 43 HN VAL 43 -6.678 -8.452 5.559 351 HA VAL 43 HA VAL 43 -4.281 -8.758 4.210 352 HB VAL 43 HB VAL 43 -5.696 -10.547 6.201 353 1HG1 VAL 43 HG11 VAL 43 -2.927 -10.888 6.469 354 2HG1 VAL 43 HG12 VAL 43 -3.229 -11.001 4.735 355 3HG1 VAL 43 HG13 VAL 43 -4.076 -12.073 5.848 356 1HG2 VAL 43 HG21 VAL 43 -3.446 -8.538 6.524 357 2HG2 VAL 43 HG22 VAL 43 -4.283 -9.395 7.820 358 3HG2 VAL 43 HG23 VAL 43 -5.143 -8.193 6.857 359 H GLU 44 HN GLU 44 -7.028 -11.021 4.163 360 HA GLU 44 HA GLU 44 -5.881 -13.032 2.515 361 1HB GLU 44 HB2 GLU 44 -8.491 -12.156 3.494 362 2HB GLU 44 HB1 GLU 44 -8.598 -12.882 1.891 363 1HG GLU 44 HG2 GLU 44 -8.699 -14.816 3.129 364 2HG GLU 44 HG1 GLU 44 -6.943 -14.662 3.044 365 H GLN 45 HN GLN 45 -7.692 -10.089 1.671 366 HA GLN 45 HA GLN 45 -7.717 -10.474 -1.168 367 1HB GLN 45 HB2 GLN 45 -8.604 -8.622 0.747 368 2HB GLN 45 HB1 GLN 45 -7.515 -7.704 -0.294 369 1HG GLN 45 HG2 GLN 45 -8.771 -8.202 -2.239 370 2HG GLN 45 HG1 GLN 45 -9.637 -9.511 -1.439 371 1HE2 GLN 45 HE21 GLN 45 -9.748 -6.147 -2.176 372 2HE2 GLN 45 HE22 GLN 45 -11.093 -5.758 -1.216 373 H LEU 46 HN LEU 46 -5.508 -8.685 0.966 374 HA LEU 46 HA LEU 46 -3.721 -7.773 -1.079 375 1HB LEU 46 HB2 LEU 46 -4.002 -7.806 1.802 376 2HB LEU 46 HB1 LEU 46 -2.326 -8.127 1.354 377 HG LEU 46 HG LEU 46 -2.323 -6.121 -0.082 378 1HD1 LEU 46 HD11 LEU 46 -5.159 -6.377 0.260 379 2HD1 LEU 46 HD12 LEU 46 -4.281 -5.261 -0.786 380 3HD1 LEU 46 HD13 LEU 46 -4.662 -4.800 0.873 381 1HD2 LEU 46 HD21 LEU 46 -3.037 -5.944 2.827 382 2HD2 LEU 46 HD22 LEU 46 -2.878 -4.452 1.899 383 3HD2 LEU 46 HD23 LEU 46 -1.514 -5.562 2.026 384 H LYS 47 HN LYS 47 -3.876 -10.741 0.839 385 HA LYS 47 HA LYS 47 -1.338 -11.843 0.326 386 1HB LYS 47 HB2 LYS 47 -3.804 -12.608 1.412 387 2HB LYS 47 HB1 LYS 47 -3.506 -13.779 0.127 388 1HG LYS 47 HG2 LYS 47 -1.242 -14.196 1.055 389 2HG LYS 47 HG1 LYS 47 -1.592 -13.072 2.369 390 1HD LYS 47 HD2 LYS 47 -3.779 -14.736 2.450 391 2HD LYS 47 HD1 LYS 47 -2.490 -15.849 1.993 392 1HE LYS 47 HE2 LYS 47 -1.869 -13.918 4.184 393 2HE LYS 47 HE1 LYS 47 -2.974 -15.252 4.568 394 1HZ LYS 47 HZ1 LYS 47 -1.378 -16.783 4.267 395 2HZ LYS 47 HZ2 LYS 47 -0.299 -15.493 4.510 396 3HZ LYS 47 HZ3 LYS 47 -0.701 -15.983 2.934 397 H SER 48 HN SER 48 -4.309 -12.568 -1.525 398 HA SER 48 HA SER 48 -3.052 -13.878 -3.711 399 1HB SER 48 HB2 SER 48 -5.186 -13.498 -4.809 400 2HB SER 48 HB1 SER 48 -5.502 -13.781 -3.100 401 HG SER 48 HG SER 48 -5.189 -11.293 -3.112 402 H ILE 49 HN ILE 49 -3.400 -10.457 -2.961 403 HA ILE 49 HA ILE 49 -2.998 -9.297 -5.491 404 HB ILE 49 HB ILE 49 -3.028 -8.551 -2.767 405 1HG1 ILE 49 HG12 ILE 49 -4.299 -7.421 -4.464 406 2HG1 ILE 49 HG11 ILE 49 -3.184 -6.235 -3.782 407 1HG2 ILE 49 HG21 ILE 49 -0.662 -8.423 -2.545 408 2HG2 ILE 49 HG22 ILE 49 -1.182 -6.767 -2.850 409 3HG2 ILE 49 HG23 ILE 49 -0.470 -7.721 -4.151 410 1HD1 ILE 49 HD11 ILE 49 -3.371 -7.199 -6.508 411 2HD1 ILE 49 HD12 ILE 49 -1.757 -7.490 -5.858 412 3HD1 ILE 49 HD13 ILE 49 -2.423 -5.857 -5.867 413 H ARG 50 HN ARG 50 -0.448 -10.177 -3.130 414 HA ARG 50 HA ARG 50 1.794 -9.691 -4.799 415 1HB ARG 50 HB2 ARG 50 1.988 -10.180 -2.421 416 2HB ARG 50 HB1 ARG 50 1.249 -11.765 -2.646 417 1HG ARG 50 HG2 ARG 50 3.317 -11.901 -4.425 418 2HG ARG 50 HG1 ARG 50 4.024 -10.893 -3.163 419 1HD ARG 50 HD2 ARG 50 3.900 -12.579 -1.558 420 2HD ARG 50 HD1 ARG 50 2.534 -13.380 -2.362 421 HE ARG 50 HE ARG 50 4.982 -13.314 -3.971 422 1HH1 ARG 50 HH11 ARG 50 4.614 -14.770 -1.055 423 2HH1 ARG 50 HH12 ARG 50 4.638 -16.404 -1.627 424 1HH2 ARG 50 HH21 ARG 50 4.366 -15.518 -4.969 425 2HH2 ARG 50 HH22 ARG 50 4.498 -16.829 -3.844 426 H GLU 51 HN GLU 51 -0.309 -12.517 -4.463 427 HA GLU 51 HA GLU 51 1.049 -14.286 -6.278 428 1HB GLU 51 HB2 GLU 51 -0.544 -15.320 -4.944 429 2HB GLU 51 HB1 GLU 51 -1.610 -13.930 -4.957 430 1HG GLU 51 HG2 GLU 51 -2.523 -15.932 -6.174 431 2HG GLU 51 HG1 GLU 51 -2.405 -14.481 -7.168 432 H ASP 52 HN ASP 52 -1.938 -12.413 -6.763 433 HA ASP 52 HA ASP 52 -2.128 -12.678 -9.567 434 1HB ASP 52 HB2 ASP 52 -3.212 -11.048 -7.441 435 2HB ASP 52 HB1 ASP 52 -2.875 -10.022 -8.835 436 H ILE 53 HN ILE 53 -0.427 -10.175 -7.653 437 HA ILE 53 HA ILE 53 0.744 -8.779 -9.867 438 HB ILE 53 HB ILE 53 1.650 -9.238 -7.004 439 1HG1 ILE 53 HG12 ILE 53 -0.610 -8.139 -7.421 440 2HG1 ILE 53 HG11 ILE 53 0.540 -7.169 -6.502 441 1HG2 ILE 53 HG21 ILE 53 2.622 -7.372 -9.169 442 2HG2 ILE 53 HG22 ILE 53 3.570 -8.459 -8.154 443 3HG2 ILE 53 HG23 ILE 53 2.854 -7.004 -7.460 444 1HD1 ILE 53 HD11 ILE 53 1.219 -6.097 -8.714 445 2HD1 ILE 53 HD12 ILE 53 -0.403 -5.705 -8.147 446 3HD1 ILE 53 HD13 ILE 53 -0.182 -6.895 -9.428 447 H VAL 54 HN VAL 54 1.469 -11.747 -8.199 448 HA VAL 54 HA VAL 54 4.158 -12.094 -9.265 449 HB VAL 54 HB VAL 54 2.152 -13.557 -7.610 450 1HG1 VAL 54 HG11 VAL 54 4.402 -14.954 -9.073 451 2HG1 VAL 54 HG12 VAL 54 2.679 -15.314 -9.191 452 3HG1 VAL 54 HG13 VAL 54 3.546 -15.634 -7.689 453 1HG2 VAL 54 HG21 VAL 54 4.667 -12.257 -7.297 454 2HG2 VAL 54 HG22 VAL 54 4.863 -13.947 -6.833 455 3HG2 VAL 54 HG23 VAL 54 3.634 -12.954 -6.049 456 H SER 55 HN SER 55 1.169 -13.989 -9.791 457 HA SER 55 HA SER 55 2.155 -14.711 -12.510 458 1HB SER 55 HB2 SER 55 -0.360 -15.898 -11.733 459 2HB SER 55 HB1 SER 55 1.192 -16.686 -11.997 460 HG SER 55 HG SER 55 0.173 -15.507 -9.632 461 H GLY 56 HN GLY 56 0.967 -14.140 -14.382 462 1HA GLY 56 HA2 GLY 56 -1.073 -13.354 -15.464 463 2HA GLY 56 HA1 GLY 56 -1.506 -12.538 -13.960 464 H LYS 57 HN LYS 57 -0.253 -12.054 -17.002 465 HA LYS 57 HA LYS 57 1.708 -9.990 -16.510 466 1HB LYS 57 HB2 LYS 57 1.474 -11.327 -18.585 467 2HB LYS 57 HB1 LYS 57 -0.090 -10.569 -18.887 468 1HG LYS 57 HG2 LYS 57 0.851 -8.514 -19.416 469 2HG LYS 57 HG1 LYS 57 2.302 -8.815 -18.457 470 1HD LYS 57 HD2 LYS 57 2.996 -10.545 -20.111 471 2HD LYS 57 HD1 LYS 57 1.588 -10.137 -21.092 472 1HE LYS 57 HE2 LYS 57 2.805 -8.495 -22.064 473 2HE LYS 57 HE1 LYS 57 2.910 -7.687 -20.487 474 1HZ LYS 57 HZ1 LYS 57 5.117 -8.151 -20.991 475 2HZ LYS 57 HZ2 LYS 57 4.757 -9.666 -21.670 476 3HZ LYS 57 HZ3 LYS 57 4.682 -9.446 -19.987 477 H ALA 58 HN ALA 58 -0.365 -9.303 -14.792 478 HA ALA 58 HA ALA 58 -2.163 -7.365 -16.056 479 1HB ALA 58 HB1 ALA 58 -3.299 -7.957 -14.201 480 2HB ALA 58 HB2 ALA 58 -2.043 -7.229 -13.198 481 3HB ALA 58 HB3 ALA 58 -1.919 -8.922 -13.677 482 H ASN 59 HN ASN 59 -2.213 -5.241 -14.372 483 HA ASN 59 HA ASN 59 0.532 -4.056 -14.625 484 1HB ASN 59 HB2 ASN 59 -1.832 -3.325 -15.795 485 2HB ASN 59 HB1 ASN 59 -1.839 -2.309 -14.354 486 1HD2 ASN 59 HD21 ASN 59 -0.849 -2.285 -17.530 487 2HD2 ASN 59 HD22 ASN 59 0.444 -1.192 -17.412 488 H PHE 60 HN PHE 60 -0.517 -1.692 -13.083 489 HA PHE 60 HA PHE 60 -1.165 -2.686 -10.405 490 1HB PHE 60 HB2 PHE 60 1.184 -3.300 -10.558 491 2HB PHE 60 HB1 PHE 60 1.606 -1.682 -11.118 492 HD1 PHE 60 HD1 PHE 60 1.003 0.304 -9.552 493 HD2 PHE 60 HD2 PHE 60 1.194 -3.789 -8.257 494 HE1 PHE 60 HE1 PHE 60 1.249 1.058 -7.202 495 HE2 PHE 60 HE2 PHE 60 1.440 -3.033 -5.907 496 HZ PHE 60 HZ PHE 60 1.468 -0.610 -5.380 497 H GLU 61 HN GLU 61 -0.016 -0.013 -12.434 498 HA GLU 61 HA GLU 61 -0.498 2.127 -10.611 499 1HB GLU 61 HB2 GLU 61 -0.520 1.862 -13.627 500 2HB GLU 61 HB1 GLU 61 -0.675 3.419 -12.814 501 1HG GLU 61 HG2 GLU 61 1.467 2.723 -11.527 502 2HG GLU 61 HG1 GLU 61 1.666 1.520 -12.801 503 H GLU 62 HN GLU 62 -2.536 1.582 -13.494 504 HA GLU 62 HA GLU 62 -4.810 2.958 -12.728 505 1HB GLU 62 HB2 GLU 62 -4.446 0.324 -14.182 506 2HB GLU 62 HB1 GLU 62 -6.007 1.143 -14.097 507 1HG GLU 62 HG2 GLU 62 -3.440 2.247 -15.270 508 2HG GLU 62 HG1 GLU 62 -4.907 1.820 -16.150 509 H VAL 63 HN VAL 63 -4.032 -0.429 -11.851 510 HA VAL 63 HA VAL 63 -6.365 -1.012 -10.361 511 HB VAL 63 HB VAL 63 -3.517 -1.823 -9.703 512 1HG1 VAL 63 HG11 VAL 63 -4.612 -3.068 -8.165 513 2HG1 VAL 63 HG12 VAL 63 -5.245 -4.004 -9.519 514 3HG1 VAL 63 HG13 VAL 63 -6.183 -2.665 -8.859 515 1HG2 VAL 63 HG21 VAL 63 -4.743 -3.753 -11.360 516 2HG2 VAL 63 HG22 VAL 63 -3.394 -2.698 -11.780 517 3HG2 VAL 63 HG23 VAL 63 -5.049 -2.198 -12.132 518 H ALA 64 HN ALA 64 -3.291 0.434 -9.285 519 HA ALA 64 HA ALA 64 -3.979 0.859 -6.556 520 1HB ALA 64 HB1 ALA 64 -2.108 2.418 -6.629 521 2HB ALA 64 HB2 ALA 64 -2.265 2.578 -8.379 522 3HB ALA 64 HB3 ALA 64 -1.729 1.051 -7.678 523 H THR 65 HN THR 65 -4.103 3.190 -9.277 524 HA THR 65 HA THR 65 -5.257 5.398 -8.072 525 HB THR 65 HB THR 65 -6.608 5.159 -10.487 526 HG1 THR 65 HG1 THR 65 -5.836 3.372 -11.254 527 1HG2 THR 65 HG21 THR 65 -3.972 5.955 -11.102 528 2HG2 THR 65 HG22 THR 65 -4.249 6.442 -9.431 529 3HG2 THR 65 HG23 THR 65 -5.336 6.999 -10.703 530 H ARG 66 HN ARG 66 -6.806 2.320 -8.816 531 HA ARG 66 HA ARG 66 -9.474 3.354 -8.024 532 1HB ARG 66 HB2 ARG 66 -8.607 1.628 -9.942 533 2HB ARG 66 HB1 ARG 66 -9.019 0.494 -8.656 534 1HG ARG 66 HG2 ARG 66 -11.243 1.730 -8.461 535 2HG ARG 66 HG1 ARG 66 -10.821 2.533 -9.974 536 1HD ARG 66 HD2 ARG 66 -10.917 0.531 -11.213 537 2HD ARG 66 HD1 ARG 66 -10.723 -0.480 -9.766 538 HE ARG 66 HE ARG 66 -13.109 1.224 -9.723 539 1HH1 ARG 66 HH11 ARG 66 -12.573 -1.063 -11.963 540 2HH1 ARG 66 HH12 ARG 66 -13.691 -2.242 -11.361 541 1HH2 ARG 66 HH21 ARG 66 -14.189 -0.618 -8.339 542 2HH2 ARG 66 HH22 ARG 66 -14.606 -1.990 -9.311 543 H VAL 67 HN VAL 67 -7.324 0.648 -7.141 544 HA VAL 67 HA VAL 67 -8.735 0.341 -4.546 545 HB VAL 67 HB VAL 67 -8.249 -1.604 -6.018 546 1HG1 VAL 67 HG11 VAL 67 -5.670 -0.299 -6.134 547 2HG1 VAL 67 HG12 VAL 67 -6.289 -1.621 -7.124 548 3HG1 VAL 67 HG13 VAL 67 -5.485 -1.967 -5.593 549 1HG2 VAL 67 HG21 VAL 67 -6.436 -1.813 -3.620 550 2HG2 VAL 67 HG22 VAL 67 -7.511 -3.036 -4.298 551 3HG2 VAL 67 HG23 VAL 67 -8.181 -1.660 -3.423 552 H SER 68 HN SER 68 -7.634 2.649 -4.198 553 HA SER 68 HA SER 68 -4.981 2.181 -2.864 554 1HB SER 68 HB2 SER 68 -4.685 4.660 -3.675 555 2HB SER 68 HB1 SER 68 -4.488 3.350 -4.837 556 HG SER 68 HG SER 68 -6.955 4.649 -4.329 557 H ASP 69 HN ASP 69 -4.530 3.840 -1.150 558 HA ASP 69 HA ASP 69 -6.733 4.199 0.662 559 1HB ASP 69 HB2 ASP 69 -4.450 3.993 1.433 560 2HB ASP 69 HB1 ASP 69 -3.948 5.380 0.465 561 H CYS 70 HN CYS 70 -7.975 5.275 -1.350 562 HA CYS 70 HA CYS 70 -8.951 7.219 -2.238 563 1HB CYS 70 HB2 CYS 70 -9.659 7.473 0.040 564 2HB CYS 70 HB1 CYS 70 -8.057 8.012 0.542 565 HG CYS 70 HG CYS 70 -8.466 10.292 -0.537 566 H SER 71 HN SER 71 -6.678 9.111 -0.325 567 HA SER 71 HA SER 71 -5.772 10.824 -2.336 568 1HB SER 71 HB2 SER 71 -5.317 10.884 0.140 569 2HB SER 71 HB1 SER 71 -4.153 9.590 -0.085 570 HG SER 71 HG SER 71 -3.182 11.676 -0.122 571 H SER 72 HN SER 72 -4.397 7.719 -1.312 572 HA SER 72 HA SER 72 -2.250 7.508 -3.130 573 1HB SER 72 HB2 SER 72 -2.684 5.916 -1.323 574 2HB SER 72 HB1 SER 72 -4.206 5.442 -2.064 575 HG SER 72 HG SER 72 -2.579 5.048 -3.956 576 H ALA 73 HN ALA 73 -5.738 6.990 -3.636 577 HA ALA 73 HA ALA 73 -5.718 5.809 -6.207 578 1HB ALA 73 HB1 ALA 73 -7.906 6.803 -6.419 579 2HB ALA 73 HB2 ALA 73 -7.473 8.128 -5.338 580 3HB ALA 73 HB3 ALA 73 -7.682 6.499 -4.696 581 H LYS 74 HN LYS 74 -5.179 9.140 -5.175 582 HA LYS 74 HA LYS 74 -4.779 10.193 -7.873 583 1HB LYS 74 HB2 LYS 74 -5.455 11.404 -5.699 584 2HB LYS 74 HB1 LYS 74 -3.759 11.289 -5.230 585 1HG LYS 74 HG2 LYS 74 -3.722 13.343 -6.293 586 2HG LYS 74 HG1 LYS 74 -3.397 12.297 -7.676 587 1HD LYS 74 HD2 LYS 74 -6.006 12.207 -7.893 588 2HD LYS 74 HD1 LYS 74 -5.959 13.674 -6.914 589 1HE LYS 74 HE2 LYS 74 -3.973 13.845 -9.011 590 2HE LYS 74 HE1 LYS 74 -5.570 13.504 -9.705 591 1HZ LYS 74 HZ1 LYS 74 -4.735 15.752 -7.995 592 2HZ LYS 74 HZ2 LYS 74 -6.352 15.229 -7.958 593 3HZ LYS 74 HZ3 LYS 74 -5.665 15.777 -9.413 594 H ARG 75 HN ARG 75 -2.855 8.720 -5.357 595 HA ARG 75 HA ARG 75 -0.361 8.929 -7.014 596 1HB ARG 75 HB2 ARG 75 -1.063 9.132 -4.138 597 2HB ARG 75 HB1 ARG 75 0.406 8.221 -4.485 598 1HG ARG 75 HG2 ARG 75 0.847 10.648 -4.135 599 2HG ARG 75 HG1 ARG 75 1.313 10.093 -5.740 600 1HD ARG 75 HD2 ARG 75 -1.481 11.006 -5.598 601 2HD ARG 75 HD1 ARG 75 -0.291 12.282 -5.271 602 HE ARG 75 HE ARG 75 -0.414 10.653 -7.763 603 1HH1 ARG 75 HH21 ARG 75 2.395 11.347 -7.022 604 2HH1 ARG 75 HH22 ARG 75 2.616 12.875 -7.808 605 1HH2 ARG 75 HH11 ARG 75 -0.777 13.421 -8.278 606 2HH2 ARG 75 HH12 ARG 75 0.818 14.051 -8.521 607 H GLY 76 HN GLY 76 -2.171 6.916 -7.718 608 1HA GLY 76 HA2 GLY 76 -1.925 4.481 -6.246 609 2HA GLY 76 HA1 GLY 76 -2.406 4.596 -7.939 610 H GLY 77 HN GLY 77 0.110 6.009 -8.637 611 1HA GLY 77 HA2 GLY 77 1.649 3.763 -9.439 612 2HA GLY 77 HA1 GLY 77 2.257 5.420 -9.390 613 H ASP 78 HN ASP 78 3.521 6.066 -7.653 614 HA ASP 78 HA ASP 78 3.849 4.172 -5.386 615 1HB ASP 78 HB2 ASP 78 6.236 4.011 -5.790 616 2HB ASP 78 HB1 ASP 78 5.404 3.608 -7.293 617 H LEU 79 HN LEU 79 5.491 5.158 -3.784 618 HA LEU 79 HA LEU 79 4.658 7.881 -3.135 619 1HB LEU 79 HB2 LEU 79 6.603 5.856 -1.985 620 2HB LEU 79 HB1 LEU 79 6.321 7.428 -1.240 621 HG LEU 79 HG LEU 79 3.899 6.879 -1.065 622 1HD1 LEU 79 HD11 LEU 79 3.365 4.382 -1.342 623 2HD1 LEU 79 HD12 LEU 79 4.865 4.277 -2.263 624 3HD1 LEU 79 HD13 LEU 79 3.553 5.313 -2.828 625 1HD2 LEU 79 HD21 LEU 79 4.183 5.726 0.913 626 2HD2 LEU 79 HD22 LEU 79 5.866 6.163 0.612 627 3HD2 LEU 79 HD23 LEU 79 5.285 4.552 0.194 628 H GLY 80 HN GLY 80 7.865 6.416 -3.460 629 1HA GLY 80 HA2 GLY 80 9.272 7.525 -5.351 630 2HA GLY 80 HA1 GLY 80 8.950 9.002 -4.438 631 H SER 81 HN SER 81 9.824 9.217 -2.339 632 HA SER 81 HA SER 81 11.681 7.128 -1.372 633 1HB SER 81 HB2 SER 81 13.589 8.286 -1.831 634 2HB SER 81 HB1 SER 81 12.590 8.965 -3.111 635 HG SER 81 HG SER 81 13.330 10.058 -0.624 636 H PHE 82 HN PHE 82 12.005 7.281 0.855 637 HA PHE 82 HA PHE 82 11.371 9.694 2.375 638 1HB PHE 82 HB2 PHE 82 9.437 8.490 3.543 639 2HB PHE 82 HB1 PHE 82 9.120 8.994 1.881 640 HD1 PHE 82 HD1 PHE 82 9.303 7.312 0.014 641 HD2 PHE 82 HD2 PHE 82 9.497 6.186 4.153 642 HE1 PHE 82 HE1 PHE 82 8.867 4.953 -0.610 643 HE2 PHE 82 HE2 PHE 82 9.059 3.829 3.532 644 HZ PHE 82 HZ PHE 82 8.749 3.212 1.145 645 H GLY 83 HN GLY 83 13.425 9.291 3.370 646 1HA GLY 83 HA2 GLY 83 14.346 6.789 4.300 647 2HA GLY 83 HA1 GLY 83 14.853 8.336 4.967 648 H ARG 84 HN ARG 84 13.796 9.128 6.851 649 HA ARG 84 HA ARG 84 12.279 7.028 8.336 650 1HB ARG 84 HB2 ARG 84 13.403 9.579 9.483 651 2HB ARG 84 HB1 ARG 84 13.187 8.018 10.272 652 1HG ARG 84 HG2 ARG 84 15.211 8.656 8.102 653 2HG ARG 84 HG1 ARG 84 15.567 8.402 9.810 654 1HD ARG 84 HD2 ARG 84 14.098 6.246 8.310 655 2HD ARG 84 HD1 ARG 84 15.855 6.394 8.120 656 HE ARG 84 HE ARG 84 15.196 6.599 10.899 657 1HH1 ARG 84 HH11 ARG 84 13.492 4.260 10.116 658 2HH1 ARG 84 HH12 ARG 84 14.585 2.933 10.321 659 1HH2 ARG 84 HH21 ARG 84 17.418 4.931 10.380 660 2HH2 ARG 84 HH22 ARG 84 16.808 3.312 10.470 661 H GLY 85 HN GLY 85 10.496 7.848 9.776 662 1HA GLY 85 HA2 GLY 85 8.544 9.101 10.171 663 2HA GLY 85 HA1 GLY 85 9.276 10.424 9.264 664 H GLN 86 HN GLN 86 7.463 10.894 7.977 665 HA GLN 86 HA GLN 86 6.036 10.643 6.100 666 1HB GLN 86 HB2 GLN 86 8.386 8.870 5.716 667 2HB GLN 86 HB1 GLN 86 6.985 8.488 4.721 668 1HG GLN 86 HG2 GLN 86 8.610 10.143 3.690 669 2HG GLN 86 HG1 GLN 86 6.930 10.671 3.772 670 1HE2 GLN 86 HE21 GLN 86 9.818 10.739 5.952 671 2HE2 GLN 86 HE22 GLN 86 9.579 12.342 6.457 672 H MET 87 HN MET 87 6.906 7.271 6.277 673 HA MET 87 HA MET 87 4.069 6.506 6.727 674 1HB MET 87 HB2 MET 87 6.255 5.770 5.100 675 2HB MET 87 HB1 MET 87 5.961 4.403 6.175 676 1HG MET 87 HG2 MET 87 3.915 3.953 5.237 677 2HG MET 87 HG1 MET 87 3.535 5.660 5.034 678 1HE MET 87 HE1 MET 87 5.063 6.950 2.136 679 2HE MET 87 HE2 MET 87 6.514 6.433 2.987 680 3HE MET 87 HE3 MET 87 5.142 7.055 3.899 681 H GLN 88 HN GLN 88 5.442 7.505 9.015 682 HA GLN 88 HA GLN 88 6.214 6.917 11.171 683 1HB GLN 88 HB2 GLN 88 3.671 6.170 10.619 684 2HB GLN 88 HB1 GLN 88 4.339 4.618 11.101 685 1HG GLN 88 HG2 GLN 88 5.380 6.261 13.024 686 2HG GLN 88 HG1 GLN 88 3.811 7.013 12.727 687 1HE2 GLN 88 HE21 GLN 88 2.069 4.976 12.315 688 2HE2 GLN 88 HE22 GLN 88 2.064 3.875 13.607 689 H LYS 89 HN LYS 89 5.920 4.011 12.116 690 HA LYS 89 HA LYS 89 8.536 3.118 10.988 691 1HB LYS 89 HB2 LYS 89 7.109 2.771 13.614 692 2HB LYS 89 HB1 LYS 89 8.534 1.817 13.200 693 1HG LYS 89 HG2 LYS 89 9.923 3.718 13.077 694 2HG LYS 89 HG1 LYS 89 8.553 4.820 12.933 695 1HD LYS 89 HD2 LYS 89 7.879 4.050 15.281 696 2HD LYS 89 HD1 LYS 89 9.481 3.320 15.387 697 1HE LYS 89 HE2 LYS 89 10.478 5.337 15.719 698 2HE LYS 89 HE1 LYS 89 9.554 6.088 14.402 699 1HZ LYS 89 HZ1 LYS 89 8.299 5.335 16.975 700 2HZ LYS 89 HZ2 LYS 89 7.694 6.374 15.774 701 3HZ LYS 89 HZ3 LYS 89 9.005 6.859 16.740 702 HA PRO 90 HA PRO 90 5.721 -0.774 10.900 703 1HB PRO 90 HB2 PRO 90 3.265 -0.350 9.774 704 2HB PRO 90 HB1 PRO 90 3.543 -0.292 11.526 705 1HG PRO 90 HG2 PRO 90 3.209 1.926 9.590 706 2HG PRO 90 HG1 PRO 90 2.711 1.816 11.284 707 1HD PRO 90 HD2 PRO 90 4.931 3.179 10.368 708 2HD PRO 90 HD1 PRO 90 4.696 2.622 12.040 709 H PHE 91 HN PHE 91 4.698 1.602 8.422 710 HA PHE 91 HA PHE 91 5.138 -0.161 6.190 711 1HB PHE 91 HB2 PHE 91 3.669 1.799 6.112 712 2HB PHE 91 HB1 PHE 91 5.026 2.861 6.468 713 HD1 PHE 91 HD1 PHE 91 7.153 2.405 4.747 714 HD2 PHE 91 HD2 PHE 91 3.003 1.722 3.898 715 HE1 PHE 91 HE1 PHE 91 7.650 2.454 2.368 716 HE2 PHE 91 HE2 PHE 91 3.517 1.796 1.459 717 HZ PHE 91 HZ PHE 91 5.839 2.166 0.698 718 H GLU 92 HN GLU 92 6.980 2.693 7.270 719 HA GLU 92 HA GLU 92 9.161 2.659 5.625 720 1HB GLU 92 HB2 GLU 92 8.902 4.277 7.389 721 2HB GLU 92 HB1 GLU 92 8.991 3.026 8.629 722 1HG GLU 92 HG2 GLU 92 11.314 3.104 6.815 723 2HG GLU 92 HG1 GLU 92 11.120 4.546 7.811 724 H GLU 93 HN GLU 93 9.280 0.893 8.743 725 HA GLU 93 HA GLU 93 11.612 -0.593 8.220 726 1HB GLU 93 HB2 GLU 93 10.871 -1.965 10.034 727 2HB GLU 93 HB1 GLU 93 10.181 -0.372 10.342 728 1HG GLU 93 HG2 GLU 93 8.035 -1.048 9.502 729 2HG GLU 93 HG1 GLU 93 8.687 -2.569 8.889 730 H ALA 94 HN ALA 94 8.364 -1.007 6.978 731 HA ALA 94 HA ALA 94 8.574 -3.724 6.059 732 1HB ALA 94 HB1 ALA 94 7.011 -1.728 4.508 733 2HB ALA 94 HB2 ALA 94 6.646 -1.811 6.232 734 3HB ALA 94 HB3 ALA 94 6.479 -3.249 5.224 735 H THR 95 HN THR 95 8.975 -0.629 4.314 736 HA THR 95 HA THR 95 9.875 -1.829 1.858 737 HB THR 95 HB THR 95 10.551 0.933 2.901 738 HG1 THR 95 HG1 THR 95 8.140 0.262 1.616 739 1HG2 THR 95 HG21 THR 95 10.122 1.509 0.498 740 2HG2 THR 95 HG22 THR 95 9.909 -0.211 0.169 741 3HG2 THR 95 HG23 THR 95 11.471 0.394 0.721 742 H TYR 96 HN TYR 96 11.448 -0.900 4.840 743 HA TYR 96 HA TYR 96 14.185 -1.034 3.801 744 1HB TYR 96 HB2 TYR 96 12.757 -0.687 6.411 745 2HB TYR 96 HB1 TYR 96 14.451 -1.164 6.459 746 HD1 TYR 96 HD1 TYR 96 12.334 1.583 6.513 747 HD2 TYR 96 HD2 TYR 96 15.951 0.226 4.636 748 HE1 TYR 96 HE1 TYR 96 12.999 3.936 6.094 749 HE2 TYR 96 HE2 TYR 96 16.613 2.582 4.218 750 HH TYR 96 HH TYR 96 15.035 4.919 3.975 751 H ALA 97 HN ALA 97 11.854 -3.222 5.217 752 HA ALA 97 HA ALA 97 13.871 -5.330 5.720 753 1HB ALA 97 HB1 ALA 97 11.522 -6.449 6.341 754 2HB ALA 97 HB2 ALA 97 10.997 -4.766 6.326 755 3HB ALA 97 HB3 ALA 97 12.288 -5.277 7.413 756 H LEU 98 HN LEU 98 11.862 -4.322 3.135 757 HA LEU 98 HA LEU 98 11.340 -6.999 2.050 758 1HB LEU 98 HB2 LEU 98 10.054 -4.703 1.832 759 2HB LEU 98 HB1 LEU 98 11.169 -4.440 0.491 760 HG LEU 98 HG LEU 98 10.223 -7.106 0.260 761 1HD1 LEU 98 HD11 LEU 98 8.308 -5.433 1.560 762 2HD1 LEU 98 HD12 LEU 98 8.095 -7.085 0.982 763 3HD1 LEU 98 HD13 LEU 98 7.746 -5.726 -0.085 764 1HD2 LEU 98 HD21 LEU 98 10.658 -6.131 -1.771 765 2HD2 LEU 98 HD22 LEU 98 10.110 -4.540 -1.240 766 3HD2 LEU 98 HD23 LEU 98 8.933 -5.769 -1.707 767 H LYS 99 HN LYS 99 12.189 -7.683 -0.062 768 HA LYS 99 HA LYS 99 14.989 -6.719 -0.521 769 1HB LYS 99 HB2 LYS 99 14.699 -9.041 0.263 770 2HB LYS 99 HB1 LYS 99 13.622 -9.373 -1.092 771 1HG LYS 99 HG2 LYS 99 15.611 -10.147 -1.982 772 2HG LYS 99 HG1 LYS 99 15.698 -8.460 -2.494 773 1HD LYS 99 HD2 LYS 99 17.333 -7.932 -0.964 774 2HD LYS 99 HD1 LYS 99 16.750 -9.105 0.218 775 1HE LYS 99 HE2 LYS 99 17.714 -10.949 -1.052 776 2HE LYS 99 HE1 LYS 99 18.190 -9.843 -2.357 777 1HZ LYS 99 HZ1 LYS 99 20.073 -10.050 -0.967 778 2HZ LYS 99 HZ2 LYS 99 19.152 -9.863 0.449 779 3HZ LYS 99 HZ3 LYS 99 19.392 -8.543 -0.593 780 H VAL 100 HN VAL 100 13.425 -8.792 -2.836 781 HA VAL 100 HA VAL 100 12.955 -6.463 -4.658 782 HB VAL 100 HB VAL 100 14.542 -9.001 -5.045 783 1HG1 VAL 100 HG11 VAL 100 13.518 -9.175 -7.077 784 2HG1 VAL 100 HG12 VAL 100 14.576 -7.832 -7.511 785 3HG1 VAL 100 HG13 VAL 100 12.911 -7.520 -7.021 786 1HG2 VAL 100 HG21 VAL 100 15.451 -6.477 -6.233 787 2HG2 VAL 100 HG22 VAL 100 16.312 -7.591 -5.170 788 3HG2 VAL 100 HG23 VAL 100 15.235 -6.375 -4.486 789 H GLY 101 HN GLY 101 12.638 -10.013 -4.835 790 1HA GLY 101 HA2 GLY 101 9.980 -9.716 -6.065 791 2HA GLY 101 HA1 GLY 101 10.848 -11.231 -5.831 792 H ASP 102 HN ASP 102 9.646 -8.657 -3.667 793 HA ASP 102 HA ASP 102 8.472 -10.817 -1.952 794 1HB ASP 102 HB2 ASP 102 9.932 -8.257 -1.436 795 2HB ASP 102 HB1 ASP 102 8.729 -8.777 -0.255 796 H ILE 103 HN ILE 103 7.980 -7.621 -3.369 797 HA ILE 103 HA ILE 103 6.004 -6.377 -3.720 798 HB ILE 103 HB ILE 103 4.836 -9.154 -3.330 799 1HG1 ILE 103 HG12 ILE 103 5.953 -7.687 -5.732 800 2HG1 ILE 103 HG11 ILE 103 6.450 -9.255 -5.097 801 1HG2 ILE 103 HG21 ILE 103 3.423 -7.515 -5.211 802 2HG2 ILE 103 HG22 ILE 103 3.593 -6.614 -3.707 803 3HG2 ILE 103 HG23 ILE 103 2.829 -8.204 -3.701 804 1HD1 ILE 103 HD11 ILE 103 5.010 -9.435 -7.144 805 2HD1 ILE 103 HD12 ILE 103 3.699 -8.676 -6.240 806 3HD1 ILE 103 HD13 ILE 103 4.321 -10.248 -5.738 807 H SER 104 HN SER 104 6.970 -7.306 -0.837 808 HA SER 104 HA SER 104 6.281 -6.827 1.368 809 1HB SER 104 HB2 SER 104 5.846 -4.625 0.837 810 2HB SER 104 HB1 SER 104 4.729 -5.051 -0.453 811 HG SER 104 HG SER 104 3.851 -4.137 1.591 812 H ASP 105 HN ASP 105 3.128 -6.722 -0.275 813 HA ASP 105 HA ASP 105 1.266 -8.180 -0.116 814 1HB ASP 105 HB2 ASP 105 3.290 -9.843 -0.189 815 2HB ASP 105 HB1 ASP 105 2.980 -10.026 1.538 816 H ILE 106 HN ILE 106 -0.382 -7.762 1.278 817 HA ILE 106 HA ILE 106 -1.497 -7.123 3.257 818 HB ILE 106 HB ILE 106 0.267 -8.702 4.997 819 1HG1 ILE 106 HG12 ILE 106 -0.727 -9.880 2.388 820 2HG1 ILE 106 HG11 ILE 106 0.884 -10.003 3.095 821 1HG2 ILE 106 HG21 ILE 106 -2.234 -8.000 5.186 822 2HG2 ILE 106 HG22 ILE 106 -1.773 -9.623 5.700 823 3HG2 ILE 106 HG23 ILE 106 -2.532 -9.379 4.128 824 1HD1 ILE 106 HD11 ILE 106 -1.507 -11.632 3.606 825 2HD1 ILE 106 HD12 ILE 106 -0.703 -11.079 5.075 826 3HD1 ILE 106 HD13 ILE 106 0.193 -12.014 3.877 827 H VAL 107 HN VAL 107 -1.038 -4.980 3.720 828 HA VAL 107 HA VAL 107 1.352 -4.461 5.454 829 HB VAL 107 HB VAL 107 0.234 -2.657 3.287 830 1HG1 VAL 107 HG11 VAL 107 2.887 -2.594 4.750 831 2HG1 VAL 107 HG12 VAL 107 1.496 -1.607 5.197 832 3HG1 VAL 107 HG13 VAL 107 2.268 -1.385 3.627 833 1HG2 VAL 107 HG21 VAL 107 1.301 -4.912 2.567 834 2HG2 VAL 107 HG22 VAL 107 2.815 -4.211 3.138 835 3HG2 VAL 107 HG23 VAL 107 1.924 -3.437 1.828 836 H ASP 108 HN ASP 108 -1.062 -4.979 6.641 837 HA ASP 108 HA ASP 108 -3.018 -3.050 6.982 838 1HB ASP 108 HB2 ASP 108 -2.919 -3.881 9.440 839 2HB ASP 108 HB1 ASP 108 -3.181 -5.080 8.172 840 H THR 109 HN THR 109 -2.411 -0.876 6.884 841 HA THR 109 HA THR 109 -0.864 0.159 9.222 842 HB THR 109 HB THR 109 0.226 1.720 7.477 843 HG1 THR 109 HG1 THR 109 -0.003 -0.167 5.545 844 1HG2 THR 109 HG21 THR 109 0.802 -1.253 7.529 845 2HG2 THR 109 HG22 THR 109 1.537 -0.006 8.538 846 3HG2 THR 109 HG23 THR 109 1.885 -0.061 6.809 847 H ASP 110 HN ASP 110 -0.945 2.871 8.415 848 HA ASP 110 HA ASP 110 -3.433 3.810 9.233 849 1HB ASP 110 HB2 ASP 110 -1.132 4.784 7.669 850 2HB ASP 110 HB1 ASP 110 -2.629 5.656 7.337 851 H SER 111 HN SER 111 -5.304 4.613 7.974 852 HA SER 111 HA SER 111 -6.892 4.488 6.213 853 1HB SER 111 HB2 SER 111 -4.738 3.211 4.537 854 2HB SER 111 HB1 SER 111 -6.036 4.280 4.024 855 HG SER 111 HG SER 111 -3.943 5.293 4.162 856 H GLY 112 HN GLY 112 -4.701 1.675 5.962 857 1HA GLY 112 HA2 GLY 112 -6.355 -0.270 7.093 858 2HA GLY 112 HA1 GLY 112 -6.843 -0.175 5.399 859 H VAL 113 HN VAL 113 -5.965 -2.110 4.644 860 HA VAL 113 HA VAL 113 -3.091 -2.661 5.199 861 HB VAL 113 HB VAL 113 -3.681 -4.878 4.254 862 1HG1 VAL 113 HG11 VAL 113 -4.064 -4.587 6.622 863 2HG1 VAL 113 HG12 VAL 113 -5.439 -5.472 5.963 864 3HG1 VAL 113 HG13 VAL 113 -5.587 -3.752 6.323 865 1HG2 VAL 113 HG21 VAL 113 -5.848 -3.342 3.160 866 2HG2 VAL 113 HG22 VAL 113 -6.509 -4.649 4.144 867 3HG2 VAL 113 HG23 VAL 113 -5.405 -5.014 2.817 868 H HIS 114 HN HIS 114 -1.599 -2.120 3.679 869 HA HIS 114 HA HIS 114 -2.554 -1.581 0.887 870 1HB HIS 114 HB2 HIS 114 -0.052 -0.583 2.276 871 2HB HIS 114 HB1 HIS 114 -0.773 0.046 0.799 872 HD1 HIS 114 HD1 HIS 114 -1.844 2.229 1.274 873 HD2 HIS 114 HD2 HIS 114 -2.345 -0.428 4.445 874 HE1 HIS 114 HE1 HIS 114 -3.231 3.441 3.008 875 H ILE 115 HN ILE 115 -0.447 -1.714 -0.603 876 HA ILE 115 HA ILE 115 1.114 -4.180 0.038 877 HB ILE 115 HB ILE 115 0.315 -5.291 -1.809 878 1HG1 ILE 115 HG12 ILE 115 0.277 -2.609 -3.224 879 2HG1 ILE 115 HG11 ILE 115 1.464 -3.897 -3.418 880 1HG2 ILE 115 HG21 ILE 115 -1.823 -3.189 -2.074 881 2HG2 ILE 115 HG22 ILE 115 -1.739 -4.204 -0.635 882 3HG2 ILE 115 HG23 ILE 115 -1.968 -4.941 -2.221 883 1HD1 ILE 115 HD11 ILE 115 -0.329 -3.760 -5.231 884 2HD1 ILE 115 HD12 ILE 115 -1.475 -4.305 -4.006 885 3HD1 ILE 115 HD13 ILE 115 -0.123 -5.338 -4.471 886 H ILE 116 HN ILE 116 3.251 -4.127 -1.103 887 HA ILE 116 HA ILE 116 3.861 -1.463 -2.322 888 HB ILE 116 HB ILE 116 5.184 -2.832 0.026 889 1HG1 ILE 116 HG12 ILE 116 4.603 0.064 0.022 890 2HG1 ILE 116 HG11 ILE 116 3.175 -0.966 -0.082 891 1HG2 ILE 116 HG21 ILE 116 6.863 -0.976 -0.105 892 2HG2 ILE 116 HG22 ILE 116 6.193 -0.534 -1.675 893 3HG2 ILE 116 HG23 ILE 116 6.967 -2.104 -1.457 894 1HD1 ILE 116 HD11 ILE 116 3.348 -1.476 2.098 895 2HD1 ILE 116 HD12 ILE 116 4.727 -0.383 2.224 896 3HD1 ILE 116 HD13 ILE 116 4.983 -2.086 1.843 897 H LYS 117 HN LYS 117 5.979 -1.429 -3.412 898 HA LYS 117 HA LYS 117 7.377 -3.921 -4.016 899 1HB LYS 117 HB2 LYS 117 6.688 -3.911 -6.423 900 2HB LYS 117 HB1 LYS 117 5.328 -4.204 -5.339 901 1HG LYS 117 HG2 LYS 117 4.803 -1.750 -5.437 902 2HG LYS 117 HG1 LYS 117 6.059 -1.579 -6.664 903 1HD LYS 117 HD2 LYS 117 3.632 -3.386 -6.879 904 2HD LYS 117 HD1 LYS 117 3.827 -1.836 -7.698 905 1HE LYS 117 HE2 LYS 117 5.714 -4.193 -8.055 906 2HE LYS 117 HE1 LYS 117 4.408 -3.771 -9.180 907 1HZ LYS 117 HZ1 LYS 117 6.016 -2.476 -10.075 908 2HZ LYS 117 HZ2 LYS 117 6.905 -2.371 -8.631 909 3HZ LYS 117 HZ3 LYS 117 5.532 -1.398 -8.859 910 H ARG 118 HN ARG 118 9.458 -3.165 -4.174 911 HA ARG 118 HA ARG 118 9.883 -0.452 -5.387 912 1HB ARG 118 HB2 ARG 118 10.431 -0.465 -3.057 913 2HB ARG 118 HB1 ARG 118 11.278 -2.006 -3.196 914 1HG ARG 118 HG2 ARG 118 12.972 -0.937 -4.651 915 2HG ARG 118 HG1 ARG 118 12.135 0.606 -4.478 916 1HD ARG 118 HD2 ARG 118 12.730 0.827 -2.217 917 2HD ARG 118 HD1 ARG 118 13.016 -0.914 -2.025 918 HE ARG 118 HE ARG 118 14.769 0.182 -4.038 919 1HH1 ARG 118 HH11 ARG 118 15.007 -1.591 -1.363 920 2HH1 ARG 118 HH12 ARG 118 16.321 -0.741 -0.621 921 1HH2 ARG 118 HH21 ARG 118 16.137 1.969 -2.774 922 2HH2 ARG 118 HH22 ARG 118 16.960 1.272 -1.419 923 H THR 119 HN THR 119 12.265 -2.960 -4.619 924 HA THR 119 HA THR 119 13.750 -2.665 -7.023 925 HB THR 119 HB THR 119 13.896 -5.333 -5.887 926 HG1 THR 119 HG1 THR 119 14.381 -3.395 -3.956 927 1HG2 THR 119 HG21 THR 119 15.605 -2.911 -6.221 928 2HG2 THR 119 HG22 THR 119 15.903 -4.575 -6.723 929 3HG2 THR 119 HG23 THR 119 16.113 -4.113 -5.034 930 H ALA 120 HN ALA 120 14.109 -5.141 -8.144 931 HA ALA 120 HA ALA 120 13.186 -6.696 -9.669 932 1HB ALA 120 HB1 ALA 120 10.405 -6.397 -8.977 933 2HB ALA 120 HB2 ALA 120 11.374 -6.389 -7.503 934 3HB ALA 120 HB3 ALA 120 11.484 -7.746 -8.624 Start of MODEL 9 1 1H HIS 1 HT1 HIS 1 27.751 13.854 8.101 2 2H HIS 1 HT2 HIS 1 26.135 13.644 8.578 3 3H HIS 1 HT3 HIS 1 26.630 15.107 7.870 4 HA HIS 1 HA HIS 1 27.042 14.009 5.765 5 1HB HIS 1 HB2 HIS 1 26.687 11.709 7.622 6 2HB HIS 1 HB1 HIS 1 26.086 11.484 5.978 7 HD1 HIS 1 HD1 HIS 1 29.272 12.524 7.788 8 HD2 HIS 1 HD2 HIS 1 28.080 10.971 4.107 9 HE1 HIS 1 HE1 HIS 1 31.394 11.967 6.525 10 H MET 2 HN MET 2 25.231 13.519 4.261 11 HA MET 2 HA MET 2 22.513 13.740 5.486 12 1HB MET 2 HB2 MET 2 23.246 15.994 4.952 13 2HB MET 2 HB1 MET 2 23.753 15.487 3.340 14 1HG MET 2 HG2 MET 2 21.568 15.285 2.566 15 2HG MET 2 HG1 MET 2 20.911 15.031 4.183 16 1HE MET 2 HE1 MET 2 20.265 17.599 1.560 17 2HE MET 2 HE2 MET 2 21.929 17.033 1.450 18 3HE MET 2 HE3 MET 2 21.605 18.730 1.792 19 H ALA 3 HN ALA 3 24.486 13.047 2.607 20 HA ALA 3 HA ALA 3 22.192 11.454 1.510 21 1HB ALA 3 HB1 ALA 3 22.901 12.124 -0.605 22 2HB ALA 3 HB2 ALA 3 24.577 12.319 -0.092 23 3HB ALA 3 HB3 ALA 3 23.372 13.528 0.352 24 H SER 4 HN SER 4 23.795 10.028 -0.372 25 HA SER 4 HA SER 4 24.867 7.913 -0.433 26 1HB SER 4 HB2 SER 4 26.532 10.000 0.787 27 2HB SER 4 HB1 SER 4 27.059 8.371 1.202 28 HG SER 4 HG SER 4 26.346 8.810 -1.445 29 H ARG 5 HN ARG 5 22.797 7.593 1.263 30 HA ARG 5 HA ARG 5 23.998 6.160 3.609 31 1HB ARG 5 HB2 ARG 5 22.010 6.934 4.882 32 2HB ARG 5 HB1 ARG 5 22.938 8.295 4.249 33 1HG ARG 5 HG2 ARG 5 21.189 9.003 3.027 34 2HG ARG 5 HG1 ARG 5 20.995 7.409 2.296 35 1HD ARG 5 HD2 ARG 5 18.968 7.599 3.443 36 2HD ARG 5 HD1 ARG 5 19.965 6.831 4.695 37 HE ARG 5 HE ARG 5 20.348 9.663 4.817 38 1HH1 ARG 5 HH21 ARG 5 19.865 8.148 7.272 39 2HH1 ARG 5 HH22 ARG 5 18.256 8.608 7.720 40 1HH2 ARG 5 HH11 ARG 5 17.464 9.862 4.584 41 2HH2 ARG 5 HH12 ARG 5 16.896 9.580 6.196 42 H ASP 6 HN ASP 6 21.215 5.340 4.360 43 HA ASP 6 HA ASP 6 21.023 3.029 2.533 44 1HB ASP 6 HB2 ASP 6 20.889 3.271 5.195 45 2HB ASP 6 HB1 ASP 6 19.176 3.490 4.831 46 H GLN 7 HN GLN 7 18.613 5.253 3.963 47 HA GLN 7 HA GLN 7 16.563 6.045 3.080 48 1HB GLN 7 HB2 GLN 7 18.329 7.037 1.555 49 2HB GLN 7 HB1 GLN 7 18.046 5.684 0.458 50 1HG GLN 7 HG2 GLN 7 15.731 6.323 0.161 51 2HG GLN 7 HG1 GLN 7 15.867 7.562 1.409 52 1HE2 GLN 7 HE21 GLN 7 15.150 9.049 -0.438 53 2HE2 GLN 7 HE22 GLN 7 16.345 9.646 -1.486 54 H VAL 8 HN VAL 8 14.757 5.360 1.439 55 HA VAL 8 HA VAL 8 14.973 2.493 0.662 56 HB VAL 8 HB VAL 8 14.220 2.357 2.916 57 1HG1 VAL 8 HG11 VAL 8 13.649 4.514 3.577 58 2HG1 VAL 8 HG12 VAL 8 12.056 3.766 3.469 59 3HG1 VAL 8 HG13 VAL 8 12.638 4.792 2.158 60 1HG2 VAL 8 HG21 VAL 8 12.479 1.717 0.751 61 2HG2 VAL 8 HG22 VAL 8 11.480 2.298 2.083 62 3HG2 VAL 8 HG23 VAL 8 12.575 0.939 2.330 63 H LYS 9 HN LYS 9 14.411 2.667 -1.493 64 HA LYS 9 HA LYS 9 12.318 4.547 -2.404 65 1HB LYS 9 HB2 LYS 9 14.130 2.508 -3.723 66 2HB LYS 9 HB1 LYS 9 12.934 3.447 -4.612 67 1HG LYS 9 HG2 LYS 9 14.161 5.438 -3.262 68 2HG LYS 9 HG1 LYS 9 15.510 4.317 -3.443 69 1HD LYS 9 HD2 LYS 9 15.217 4.256 -5.845 70 2HD LYS 9 HD1 LYS 9 13.724 5.185 -5.735 71 1HE LYS 9 HE2 LYS 9 14.976 7.054 -5.996 72 2HE LYS 9 HE1 LYS 9 15.673 6.729 -4.396 73 1HZ LYS 9 HZ1 LYS 9 17.096 5.023 -5.652 74 2HZ LYS 9 HZ2 LYS 9 17.515 6.664 -5.791 75 3HZ LYS 9 HZ3 LYS 9 16.671 5.890 -7.046 76 H ALA 10 HN ALA 10 10.411 3.664 -3.681 77 HA ALA 10 HA ALA 10 9.709 0.919 -3.822 78 1HB ALA 10 HB1 ALA 10 8.078 1.335 -1.633 79 2HB ALA 10 HB2 ALA 10 9.568 2.149 -1.160 80 3HB ALA 10 HB3 ALA 10 9.598 0.444 -1.609 81 H SER 11 HN SER 11 7.406 0.516 -4.151 82 HA SER 11 HA SER 11 5.880 2.967 -4.936 83 1HB SER 11 HB2 SER 11 4.969 1.651 -6.700 84 2HB SER 11 HB1 SER 11 6.648 1.122 -6.629 85 HG SER 11 HG SER 11 4.327 -0.134 -5.617 86 H HIS 12 HN HIS 12 3.254 2.063 -4.863 87 HA HIS 12 HA HIS 12 2.794 0.240 -2.652 88 1HB HIS 12 HB2 HIS 12 3.539 1.628 -1.040 89 2HB HIS 12 HB1 HIS 12 3.588 2.997 -2.142 90 HD1 HIS 12 HD1 HIS 12 2.149 4.837 -1.293 91 HD2 HIS 12 HD2 HIS 12 0.509 1.106 -0.461 92 HE1 HIS 12 HE1 HIS 12 -0.042 5.272 -0.100 93 H ILE 13 HN ILE 13 0.613 0.003 -2.044 94 HA ILE 13 HA ILE 13 -1.455 1.610 -3.478 95 HB ILE 13 HB ILE 13 -0.869 -1.346 -3.634 96 1HG1 ILE 13 HG12 ILE 13 -1.516 0.906 -5.518 97 2HG1 ILE 13 HG11 ILE 13 -0.168 -0.223 -5.578 98 1HG2 ILE 13 HG21 ILE 13 -3.178 -1.744 -4.406 99 2HG2 ILE 13 HG22 ILE 13 -3.588 -0.070 -4.043 100 3HG2 ILE 13 HG23 ILE 13 -3.164 -1.177 -2.737 101 1HD1 ILE 13 HD11 ILE 13 -3.080 -0.888 -6.162 102 2HD1 ILE 13 HD12 ILE 13 -1.762 -2.058 -6.158 103 3HD1 ILE 13 HD13 ILE 13 -1.787 -0.763 -7.354 104 H LEU 14 HN LEU 14 -3.710 0.922 -2.503 105 HA LEU 14 HA LEU 14 -3.520 -0.058 0.301 106 1HB LEU 14 HB2 LEU 14 -3.197 2.321 0.529 107 2HB LEU 14 HB1 LEU 14 -4.498 2.665 -0.610 108 HG LEU 14 HG LEU 14 -5.742 1.092 1.315 109 1HD1 LEU 14 HD11 LEU 14 -4.071 3.136 2.784 110 2HD1 LEU 14 HD12 LEU 14 -3.593 1.442 2.660 111 3HD1 LEU 14 HD13 LEU 14 -5.099 1.875 3.466 112 1HD2 LEU 14 HD21 LEU 14 -5.996 3.633 0.176 113 2HD2 LEU 14 HD22 LEU 14 -5.905 3.946 1.909 114 3HD2 LEU 14 HD23 LEU 14 -7.145 2.867 1.272 115 H ILE 15 HN ILE 15 -4.932 -1.803 -0.043 116 HA ILE 15 HA ILE 15 -7.254 -1.685 -1.741 117 HB ILE 15 HB ILE 15 -5.741 -3.591 -0.432 118 1HG1 ILE 15 HG12 ILE 15 -8.460 -3.815 -1.746 119 2HG1 ILE 15 HG11 ILE 15 -6.884 -3.960 -2.526 120 1HG2 ILE 15 HG21 ILE 15 -7.058 -4.772 1.143 121 2HG2 ILE 15 HG22 ILE 15 -8.514 -3.866 0.731 122 3HG2 ILE 15 HG23 ILE 15 -7.212 -3.083 1.626 123 1HD1 ILE 15 HD11 ILE 15 -7.177 -6.192 -2.196 124 2HD1 ILE 15 HD12 ILE 15 -8.386 -5.943 -0.937 125 3HD1 ILE 15 HD13 ILE 15 -6.669 -5.834 -0.545 126 H LYS 16 HN LYS 16 -9.531 -2.173 -0.697 127 HA LYS 16 HA LYS 16 -10.010 -0.043 1.331 128 1HB LYS 16 HB2 LYS 16 -12.234 -0.034 0.446 129 2HB LYS 16 HB1 LYS 16 -11.168 -0.221 -0.947 130 1HG LYS 16 HG2 LYS 16 -11.602 -2.837 -0.107 131 2HG LYS 16 HG1 LYS 16 -13.173 -2.065 0.114 132 1HD LYS 16 HD2 LYS 16 -12.168 -1.123 -2.358 133 2HD LYS 16 HD1 LYS 16 -11.891 -2.865 -2.340 134 1HE LYS 16 HE2 LYS 16 -14.109 -2.551 -3.226 135 2HE LYS 16 HE1 LYS 16 -14.331 -3.091 -1.550 136 1HZ LYS 16 HZ1 LYS 16 -14.773 -0.465 -2.721 137 2HZ LYS 16 HZ2 LYS 16 -14.027 -0.472 -1.194 138 3HZ LYS 16 HZ3 LYS 16 -15.543 -1.207 -1.405 139 H HIS 17 HN HIS 17 -11.255 -0.487 3.228 140 HA HIS 17 HA HIS 17 -12.333 -3.078 3.885 141 1HB HIS 17 HB2 HIS 17 -10.565 -3.879 5.343 142 2HB HIS 17 HB1 HIS 17 -9.848 -3.514 3.775 143 HD1 HIS 17 HD1 HIS 17 -10.291 -0.280 4.790 144 HD2 HIS 17 HD2 HIS 17 -7.804 -3.272 6.283 145 HE1 HIS 17 HE1 HIS 17 -8.429 0.896 6.036 146 H GLN 18 HN GLN 18 -12.255 -3.142 6.581 147 HA GLN 18 HA GLN 18 -13.580 -0.606 7.346 148 1HB GLN 18 HB2 GLN 18 -14.449 -1.933 9.162 149 2HB GLN 18 HB1 GLN 18 -14.503 -2.943 7.718 150 1HG GLN 18 HG2 GLN 18 -13.169 -4.463 8.694 151 2HG GLN 18 HG1 GLN 18 -11.930 -3.238 8.964 152 1HE2 GLN 18 HE21 GLN 18 -15.243 -3.594 10.354 153 2HE2 GLN 18 HE22 GLN 18 -14.725 -3.569 11.970 154 H GLY 19 HN GLY 19 -11.046 0.133 7.113 155 1HA GLY 19 HA2 GLY 19 -9.607 -0.319 9.662 156 2HA GLY 19 HA1 GLY 19 -8.967 0.525 8.251 157 H SER 20 HN SER 20 -10.574 0.904 11.267 158 HA SER 20 HA SER 20 -11.296 2.840 12.420 159 1HB SER 20 HB2 SER 20 -9.583 4.347 10.450 160 2HB SER 20 HB1 SER 20 -9.782 4.631 12.177 161 HG SER 20 HG SER 20 -8.490 2.940 12.613 162 H ARG 21 HN ARG 21 -13.402 2.315 11.115 163 HA ARG 21 HA ARG 21 -15.305 3.253 10.068 164 1HB ARG 21 HB2 ARG 21 -14.082 5.273 11.314 165 2HB ARG 21 HB1 ARG 21 -13.798 5.805 9.656 166 1HG ARG 21 HG2 ARG 21 -15.924 6.516 9.484 167 2HG ARG 21 HG1 ARG 21 -16.521 4.911 9.907 168 1HD ARG 21 HD2 ARG 21 -17.360 6.051 11.733 169 2HD ARG 21 HD1 ARG 21 -15.722 5.779 12.361 170 HE ARG 21 HE ARG 21 -16.704 8.311 11.158 171 1HH1 ARG 21 HH11 ARG 21 -14.877 6.970 13.590 172 2HH1 ARG 21 HH12 ARG 21 -13.536 8.057 13.444 173 1HH2 ARG 21 HH21 ARG 21 -14.677 9.488 10.499 174 2HH2 ARG 21 HH22 ARG 21 -13.424 9.483 11.695 175 H ARG 22 HN ARG 22 -12.543 4.901 8.478 176 HA ARG 22 HA ARG 22 -12.422 3.327 6.130 177 1HB ARG 22 HB2 ARG 22 -14.805 4.946 6.430 178 2HB ARG 22 HB1 ARG 22 -13.900 5.454 5.004 179 1HG ARG 22 HG2 ARG 22 -14.047 3.344 3.996 180 2HG ARG 22 HG1 ARG 22 -14.370 2.529 5.526 181 1HD ARG 22 HD2 ARG 22 -16.378 4.574 4.772 182 2HD ARG 22 HD1 ARG 22 -16.327 3.142 3.725 183 HE ARG 22 HE ARG 22 -17.067 3.162 6.565 184 1HH1 ARG 22 HH21 ARG 22 -17.228 1.481 3.693 185 2HH1 ARG 22 HH22 ARG 22 -17.118 -0.100 4.393 186 1HH2 ARG 22 HH11 ARG 22 -16.342 1.067 7.565 187 2HH2 ARG 22 HH12 ARG 22 -16.616 -0.334 6.584 188 H LYS 23 HN LYS 23 -13.036 6.808 5.973 189 HA LYS 23 HA LYS 23 -10.325 7.696 6.329 190 1HB LYS 23 HB2 LYS 23 -9.746 7.965 3.932 191 2HB LYS 23 HB1 LYS 23 -10.021 6.270 4.331 192 1HG LYS 23 HG2 LYS 23 -12.545 7.357 3.637 193 2HG LYS 23 HG1 LYS 23 -11.403 7.904 2.408 194 1HD LYS 23 HD2 LYS 23 -11.301 5.041 3.281 195 2HD LYS 23 HD1 LYS 23 -12.592 5.544 2.189 196 1HE LYS 23 HE2 LYS 23 -9.702 6.247 1.626 197 2HE LYS 23 HE1 LYS 23 -10.416 4.717 1.076 198 1HZ LYS 23 HZ1 LYS 23 -10.989 7.436 0.222 199 2HZ LYS 23 HZ2 LYS 23 -12.346 6.435 0.432 200 3HZ LYS 23 HZ3 LYS 23 -11.110 5.982 -0.642 201 H ALA 24 HN ALA 24 -10.528 9.646 4.071 202 HA ALA 24 HA ALA 24 -12.326 11.563 5.400 203 1HB ALA 24 HB1 ALA 24 -10.840 12.069 2.841 204 2HB ALA 24 HB2 ALA 24 -9.915 11.807 4.319 205 3HB ALA 24 HB3 ALA 24 -11.069 13.138 4.225 206 H SER 25 HN SER 25 -12.912 9.150 3.247 207 HA SER 25 HA SER 25 -14.691 8.758 1.733 208 1HB SER 25 HB2 SER 25 -15.724 10.100 3.738 209 2HB SER 25 HB1 SER 25 -15.774 11.436 2.592 210 HG SER 25 HG SER 25 -17.550 10.521 1.941 211 H TRP 26 HN TRP 26 -14.959 9.197 -0.474 212 HA TRP 26 HA TRP 26 -13.199 11.002 -1.799 213 1HB TRP 26 HB2 TRP 26 -14.818 8.914 -2.476 214 2HB TRP 26 HB1 TRP 26 -15.737 10.265 -3.142 215 HD1 TRP 26 HD1 TRP 26 -12.494 8.343 -3.552 216 HE1 TRP 26 HE1 TRP 26 -11.331 9.096 -5.726 217 HE3 TRP 26 HE3 TRP 26 -15.434 12.334 -4.797 218 HZ2 TRP 26 HZ2 TRP 26 -11.608 11.120 -7.725 219 HZ3 TRP 26 HZ3 TRP 26 -14.959 13.656 -6.836 220 HH2 TRP 26 HH2 TRP 26 -13.050 13.055 -8.302 221 H LYS 27 HN LYS 27 -14.038 12.786 -3.305 222 HA LYS 27 HA LYS 27 -15.543 14.733 -1.707 223 1HB LYS 27 HB2 LYS 27 -13.422 15.006 -3.198 224 2HB LYS 27 HB1 LYS 27 -14.567 15.066 -4.539 225 1HG LYS 27 HG2 LYS 27 -15.223 17.163 -4.012 226 2HG LYS 27 HG1 LYS 27 -15.387 16.759 -2.302 227 1HD LYS 27 HD2 LYS 27 -12.643 16.713 -2.698 228 2HD LYS 27 HD1 LYS 27 -13.172 18.070 -3.694 229 1HE LYS 27 HE2 LYS 27 -13.263 19.301 -1.789 230 2HE LYS 27 HE1 LYS 27 -14.640 18.295 -1.294 231 1HZ LYS 27 HZ1 LYS 27 -11.929 17.209 -1.019 232 2HZ LYS 27 HZ2 LYS 27 -13.318 16.891 -0.093 233 3HZ LYS 27 HZ3 LYS 27 -12.456 18.339 0.129 234 H ASP 28 HN ASP 28 -17.140 12.439 -2.673 235 HA ASP 28 HA ASP 28 -19.436 13.824 -3.633 236 1HB ASP 28 HB2 ASP 28 -17.402 13.089 -5.599 237 2HB ASP 28 HB1 ASP 28 -18.991 12.436 -6.003 238 HA PRO 29 HA PRO 29 -20.417 9.225 -4.246 239 1HB PRO 29 HB2 PRO 29 -18.374 7.419 -4.468 240 2HB PRO 29 HB1 PRO 29 -19.059 8.282 -5.860 241 1HG PRO 29 HG2 PRO 29 -16.560 8.831 -4.338 242 2HG PRO 29 HG1 PRO 29 -16.867 8.931 -6.079 243 1HD PRO 29 HD2 PRO 29 -16.788 11.110 -4.448 244 2HD PRO 29 HD1 PRO 29 -17.757 11.034 -5.936 245 H GLU 30 HN GLU 30 -21.124 9.032 -2.123 246 HA GLU 30 HA GLU 30 -19.307 8.831 0.144 247 1HB GLU 30 HB2 GLU 30 -22.274 8.249 -0.149 248 2HB GLU 30 HB1 GLU 30 -21.425 8.542 1.369 249 1HG GLU 30 HG2 GLU 30 -20.944 10.813 0.766 250 2HG GLU 30 HG1 GLU 30 -21.463 10.547 -0.898 251 H GLY 31 HN GLY 31 -20.305 6.790 1.689 252 1HA GLY 31 HA2 GLY 31 -20.703 4.282 0.398 253 2HA GLY 31 HA1 GLY 31 -18.976 4.474 0.709 254 H LYS 32 HN LYS 32 -22.087 3.919 2.157 255 HA LYS 32 HA LYS 32 -20.731 3.561 4.812 256 1HB LYS 32 HB2 LYS 32 -22.883 5.280 3.970 257 2HB LYS 32 HB1 LYS 32 -23.497 4.119 5.148 258 1HG LYS 32 HG2 LYS 32 -20.992 4.933 6.139 259 2HG LYS 32 HG1 LYS 32 -21.778 6.410 5.579 260 1HD LYS 32 HD2 LYS 32 -22.897 4.377 7.529 261 2HD LYS 32 HD1 LYS 32 -22.439 6.044 7.879 262 1HE LYS 32 HE2 LYS 32 -24.185 6.609 5.971 263 2HE LYS 32 HE1 LYS 32 -24.844 5.018 6.405 264 1HZ LYS 32 HZ1 LYS 32 -24.375 5.969 8.814 265 2HZ LYS 32 HZ2 LYS 32 -25.846 6.247 8.011 266 3HZ LYS 32 HZ3 LYS 32 -24.640 7.444 8.020 267 H ILE 33 HN ILE 33 -22.566 2.124 2.316 268 HA ILE 33 HA ILE 33 -23.268 -0.158 4.132 269 HB ILE 33 HB ILE 33 -25.351 -0.366 2.860 270 1HG1 ILE 33 HG12 ILE 33 -25.412 2.037 1.369 271 2HG1 ILE 33 HG11 ILE 33 -23.874 1.264 0.983 272 1HG2 ILE 33 HG21 ILE 33 -24.615 1.893 4.462 273 2HG2 ILE 33 HG22 ILE 33 -26.199 1.134 4.305 274 3HG2 ILE 33 HG23 ILE 33 -25.733 2.438 3.212 275 1HD1 ILE 33 HD11 ILE 33 -26.658 0.303 0.486 276 2HD1 ILE 33 HD12 ILE 33 -25.425 -0.905 0.847 277 3HD1 ILE 33 HD13 ILE 33 -25.227 0.171 -0.536 278 H ILE 34 HN ILE 34 -20.933 -0.587 3.064 279 HA ILE 34 HA ILE 34 -21.395 -2.097 0.508 280 HB ILE 34 HB ILE 34 -18.881 -0.750 1.553 281 1HG1 ILE 34 HG12 ILE 34 -20.463 0.145 -0.843 282 2HG1 ILE 34 HG11 ILE 34 -20.959 0.661 0.770 283 1HG2 ILE 34 HG21 ILE 34 -19.439 -2.621 -0.619 284 2HG2 ILE 34 HG22 ILE 34 -17.887 -2.088 0.028 285 3HG2 ILE 34 HG23 ILE 34 -18.707 -1.126 -1.203 286 1HD1 ILE 34 HD11 ILE 34 -18.359 1.215 0.993 287 2HD1 ILE 34 HD12 ILE 34 -19.483 2.366 0.270 288 3HD1 ILE 34 HD13 ILE 34 -18.485 1.342 -0.762 289 H LEU 35 HN LEU 35 -19.178 -1.965 3.324 290 HA LEU 35 HA LEU 35 -18.075 -3.727 4.462 291 1HB LEU 35 HB2 LEU 35 -20.895 -4.690 3.934 292 2HB LEU 35 HB1 LEU 35 -19.782 -5.560 4.990 293 HG LEU 35 HG LEU 35 -21.106 -4.094 6.379 294 1HD1 LEU 35 HD11 LEU 35 -18.355 -4.075 6.314 295 2HD1 LEU 35 HD12 LEU 35 -19.335 -3.342 7.585 296 3HD1 LEU 35 HD13 LEU 35 -18.735 -2.354 6.253 297 1HD2 LEU 35 HD21 LEU 35 -21.744 -1.985 5.786 298 2HD2 LEU 35 HD22 LEU 35 -21.312 -2.513 4.159 299 3HD2 LEU 35 HD23 LEU 35 -20.159 -1.588 5.122 300 H THR 36 HN THR 36 -17.306 -3.759 1.771 301 HA THR 36 HA THR 36 -17.738 -6.448 0.656 302 HB THR 36 HB THR 36 -15.934 -4.132 -0.122 303 HG1 THR 36 HG1 THR 36 -17.591 -3.696 -1.585 304 1HG2 THR 36 HG21 THR 36 -15.008 -5.908 -1.290 305 2HG2 THR 36 HG22 THR 36 -16.273 -5.409 -2.414 306 3HG2 THR 36 HG23 THR 36 -16.531 -6.795 -1.353 307 H THR 37 HN THR 37 -15.648 -5.044 2.951 308 HA THR 37 HA THR 37 -14.099 -7.488 3.242 309 HB THR 37 HB THR 37 -12.999 -5.063 1.821 310 HG1 THR 37 HG1 THR 37 -13.451 -6.592 0.402 311 1HG2 THR 37 HG21 THR 37 -11.418 -5.365 3.600 312 2HG2 THR 37 HG22 THR 37 -10.722 -6.128 2.170 313 3HG2 THR 37 HG23 THR 37 -11.464 -7.120 3.425 314 H THR 38 HN THR 38 -12.922 -7.455 5.230 315 HA THR 38 HA THR 38 -13.265 -4.962 6.865 316 HB THR 38 HB THR 38 -13.555 -6.506 8.772 317 HG1 THR 38 HG1 THR 38 -13.811 -8.714 7.153 318 1HG2 THR 38 HG21 THR 38 -15.483 -5.821 7.249 319 2HG2 THR 38 HG22 THR 38 -15.742 -7.276 8.210 320 3HG2 THR 38 HG23 THR 38 -15.330 -7.411 6.500 321 H ARG 39 HN ARG 39 -11.694 -5.537 9.008 322 HA ARG 39 HA ARG 39 -9.052 -4.989 8.196 323 1HB ARG 39 HB2 ARG 39 -10.551 -5.431 10.569 324 2HB ARG 39 HB1 ARG 39 -9.108 -6.440 10.679 325 1HG ARG 39 HG2 ARG 39 -8.126 -4.057 9.660 326 2HG ARG 39 HG1 ARG 39 -9.352 -3.524 10.811 327 1HD ARG 39 HD2 ARG 39 -7.984 -4.029 12.540 328 2HD ARG 39 HD1 ARG 39 -7.827 -5.699 11.958 329 HE ARG 39 HE ARG 39 -6.248 -4.258 10.203 330 1HH1 ARG 39 HH11 ARG 39 -5.552 -6.078 12.726 331 2HH1 ARG 39 HH12 ARG 39 -4.284 -5.111 13.402 332 1HH2 ARG 39 HH21 ARG 39 -5.002 -2.334 11.455 333 2HH2 ARG 39 HH22 ARG 39 -3.971 -2.992 12.682 334 H GLU 40 HN GLU 40 -10.151 -8.096 9.580 335 HA GLU 40 HA GLU 40 -7.832 -9.581 8.837 336 1HB GLU 40 HB2 GLU 40 -9.671 -10.104 10.514 337 2HB GLU 40 HB1 GLU 40 -10.678 -10.568 9.145 338 1HG GLU 40 HG2 GLU 40 -8.229 -11.883 8.734 339 2HG GLU 40 HG1 GLU 40 -8.572 -12.072 10.454 340 H ALA 41 HN ALA 41 -11.081 -9.566 7.322 341 HA ALA 41 HA ALA 41 -10.555 -11.154 5.077 342 1HB ALA 41 HB1 ALA 41 -12.206 -9.076 4.194 343 2HB ALA 41 HB2 ALA 41 -12.439 -9.102 5.942 344 3HB ALA 41 HB3 ALA 41 -12.741 -10.556 4.992 345 H ALA 42 HN ALA 42 -10.002 -7.656 5.466 346 HA ALA 42 HA ALA 42 -9.154 -6.906 2.929 347 1HB ALA 42 HB1 ALA 42 -7.662 -5.317 4.179 348 2HB ALA 42 HB2 ALA 42 -7.967 -6.248 5.644 349 3HB ALA 42 HB3 ALA 42 -9.291 -5.398 4.849 350 H VAL 43 HN VAL 43 -7.021 -8.259 5.468 351 HA VAL 43 HA VAL 43 -4.667 -8.518 3.946 352 HB VAL 43 HB VAL 43 -5.848 -10.373 6.046 353 1HG1 VAL 43 HG11 VAL 43 -2.926 -9.925 5.407 354 2HG1 VAL 43 HG12 VAL 43 -3.862 -11.227 4.671 355 3HG1 VAL 43 HG13 VAL 43 -3.636 -11.182 6.419 356 1HG2 VAL 43 HG21 VAL 43 -5.717 -8.370 7.181 357 2HG2 VAL 43 HG22 VAL 43 -4.466 -7.729 6.115 358 3HG2 VAL 43 HG23 VAL 43 -4.043 -8.894 7.369 359 H GLU 44 HN GLU 44 -7.451 -10.714 4.187 360 HA GLU 44 HA GLU 44 -6.460 -12.812 2.521 361 1HB GLU 44 HB2 GLU 44 -8.672 -12.347 4.020 362 2HB GLU 44 HB1 GLU 44 -9.338 -12.050 2.413 363 1HG GLU 44 HG2 GLU 44 -9.087 -14.236 1.753 364 2HG GLU 44 HG1 GLU 44 -7.641 -14.476 2.736 365 H GLN 45 HN GLN 45 -8.687 -10.146 1.702 366 HA GLN 45 HA GLN 45 -8.658 -10.475 -1.122 367 1HB GLN 45 HB2 GLN 45 -9.486 -8.560 0.910 368 2HB GLN 45 HB1 GLN 45 -8.883 -7.726 -0.520 369 1HG GLN 45 HG2 GLN 45 -11.084 -9.803 -0.405 370 2HG GLN 45 HG1 GLN 45 -11.243 -8.105 -0.852 371 1HE2 GLN 45 HE21 GLN 45 -9.149 -7.721 -2.635 372 2HE2 GLN 45 HE22 GLN 45 -9.322 -8.746 -3.976 373 H LEU 46 HN LEU 46 -6.548 -8.699 1.080 374 HA LEU 46 HA LEU 46 -4.897 -7.453 -0.944 375 1HB LEU 46 HB2 LEU 46 -5.192 -6.679 1.400 376 2HB LEU 46 HB1 LEU 46 -4.403 -8.148 1.973 377 HG LEU 46 HG LEU 46 -2.325 -7.535 0.936 378 1HD1 LEU 46 HD11 LEU 46 -4.036 -5.460 -0.420 379 2HD1 LEU 46 HD12 LEU 46 -2.928 -6.624 -1.147 380 3HD1 LEU 46 HD13 LEU 46 -2.294 -5.231 -0.271 381 1HD2 LEU 46 HD21 LEU 46 -3.288 -6.239 3.055 382 2HD2 LEU 46 HD22 LEU 46 -3.213 -4.863 1.956 383 3HD2 LEU 46 HD23 LEU 46 -1.749 -5.772 2.331 384 H LYS 47 HN LYS 47 -5.153 -10.640 0.304 385 HA LYS 47 HA LYS 47 -2.369 -11.433 -0.139 386 1HB LYS 47 HB2 LYS 47 -4.561 -12.358 1.274 387 2HB LYS 47 HB1 LYS 47 -4.463 -13.497 -0.069 388 1HG LYS 47 HG2 LYS 47 -2.835 -14.551 1.083 389 2HG LYS 47 HG1 LYS 47 -1.811 -13.157 0.738 390 1HD LYS 47 HD2 LYS 47 -1.700 -13.218 3.061 391 2HD LYS 47 HD1 LYS 47 -3.053 -12.111 2.820 392 1HE LYS 47 HE2 LYS 47 -4.381 -13.519 3.995 393 2HE LYS 47 HE1 LYS 47 -4.094 -14.780 2.779 394 1HZ LYS 47 HZ1 LYS 47 -2.368 -15.658 3.945 395 2HZ LYS 47 HZ2 LYS 47 -3.265 -15.054 5.255 396 3HZ LYS 47 HZ3 LYS 47 -1.935 -14.181 4.657 397 H SER 48 HN SER 48 -5.437 -11.594 -1.891 398 HA SER 48 HA SER 48 -4.491 -13.288 -4.045 399 1HB SER 48 HB2 SER 48 -6.861 -11.747 -3.251 400 2HB SER 48 HB1 SER 48 -6.605 -11.758 -4.994 401 HG SER 48 HG SER 48 -7.161 -13.848 -3.233 402 H ILE 49 HN ILE 49 -4.565 -9.786 -3.475 403 HA ILE 49 HA ILE 49 -3.871 -9.022 -6.164 404 HB ILE 49 HB ILE 49 -4.709 -7.729 -3.955 405 1HG1 ILE 49 HG12 ILE 49 -4.893 -6.663 -6.050 406 2HG1 ILE 49 HG11 ILE 49 -3.830 -5.597 -5.132 407 1HG2 ILE 49 HG21 ILE 49 -1.707 -7.318 -4.022 408 2HG2 ILE 49 HG22 ILE 49 -2.679 -7.890 -2.667 409 3HG2 ILE 49 HG23 ILE 49 -2.822 -6.220 -3.210 410 1HD1 ILE 49 HD11 ILE 49 -1.934 -7.138 -6.178 411 2HD1 ILE 49 HD12 ILE 49 -2.611 -5.796 -7.099 412 3HD1 ILE 49 HD13 ILE 49 -3.169 -7.441 -7.400 413 H ARG 50 HN ARG 50 -1.875 -9.467 -3.231 414 HA ARG 50 HA ARG 50 0.649 -9.049 -4.540 415 1HB ARG 50 HB2 ARG 50 1.508 -9.639 -2.448 416 2HB ARG 50 HB1 ARG 50 -0.141 -9.216 -1.998 417 1HG ARG 50 HG2 ARG 50 -0.007 -11.273 -0.970 418 2HG ARG 50 HG1 ARG 50 -0.542 -11.806 -2.562 419 1HD ARG 50 HD2 ARG 50 2.068 -11.823 -3.077 420 2HD ARG 50 HD1 ARG 50 2.176 -12.014 -1.316 421 HE ARG 50 HE ARG 50 0.202 -13.756 -2.631 422 1HH1 ARG 50 HH11 ARG 50 3.562 -13.392 -2.115 423 2HH1 ARG 50 HH12 ARG 50 3.820 -15.041 -1.653 424 1HH2 ARG 50 HH21 ARG 50 0.457 -15.874 -1.751 425 2HH2 ARG 50 HH22 ARG 50 2.063 -16.445 -1.449 426 H GLU 51 HN GLU 51 -1.541 -11.737 -4.233 427 HA GLU 51 HA GLU 51 0.255 -13.826 -5.178 428 1HB GLU 51 HB2 GLU 51 -1.682 -14.317 -3.813 429 2HB GLU 51 HB1 GLU 51 -2.745 -13.447 -4.903 430 1HG GLU 51 HG2 GLU 51 -2.681 -16.050 -5.030 431 2HG GLU 51 HG1 GLU 51 -2.673 -15.123 -6.527 432 H ASP 52 HN ASP 52 -2.465 -12.037 -6.582 433 HA ASP 52 HA ASP 52 -2.351 -12.965 -9.241 434 1HB ASP 52 HB2 ASP 52 -3.388 -10.703 -7.716 435 2HB ASP 52 HB1 ASP 52 -2.916 -10.211 -9.341 436 H ILE 53 HN ILE 53 -0.673 -10.137 -7.817 437 HA ILE 53 HA ILE 53 0.915 -9.568 -10.161 438 HB ILE 53 HB ILE 53 1.355 -8.934 -7.221 439 1HG1 ILE 53 HG12 ILE 53 -0.191 -7.509 -9.408 440 2HG1 ILE 53 HG11 ILE 53 -0.844 -8.176 -7.913 441 1HG2 ILE 53 HG21 ILE 53 2.259 -6.835 -8.836 442 2HG2 ILE 53 HG22 ILE 53 2.811 -8.292 -9.662 443 3HG2 ILE 53 HG23 ILE 53 3.267 -8.004 -7.983 444 1HD1 ILE 53 HD11 ILE 53 1.285 -6.407 -7.213 445 2HD1 ILE 53 HD12 ILE 53 -0.435 -6.224 -6.870 446 3HD1 ILE 53 HD13 ILE 53 0.242 -5.564 -8.359 447 H VAL 54 HN VAL 54 1.051 -12.007 -7.769 448 HA VAL 54 HA VAL 54 3.952 -12.469 -7.934 449 HB VAL 54 HB VAL 54 1.581 -13.455 -6.430 450 1HG1 VAL 54 HG11 VAL 54 3.204 -15.359 -5.583 451 2HG1 VAL 54 HG12 VAL 54 3.881 -15.213 -7.205 452 3HG1 VAL 54 HG13 VAL 54 2.180 -15.628 -6.993 453 1HG2 VAL 54 HG21 VAL 54 4.288 -13.430 -5.253 454 2HG2 VAL 54 HG22 VAL 54 2.786 -12.734 -4.645 455 3HG2 VAL 54 HG23 VAL 54 3.723 -11.876 -5.865 456 H SER 55 HN SER 55 0.964 -14.145 -8.953 457 HA SER 55 HA SER 55 2.571 -15.998 -10.640 458 1HB SER 55 HB2 SER 55 0.056 -16.009 -9.215 459 2HB SER 55 HB1 SER 55 -0.209 -16.452 -10.896 460 HG SER 55 HG SER 55 1.875 -17.562 -9.337 461 H GLY 56 HN GLY 56 0.335 -13.303 -10.876 462 1HA GLY 56 HA2 GLY 56 0.782 -13.267 -13.822 463 2HA GLY 56 HA1 GLY 56 -0.846 -13.051 -13.177 464 H LYS 57 HN LYS 57 2.382 -11.635 -13.248 465 HA LYS 57 HA LYS 57 1.753 -9.228 -11.809 466 1HB LYS 57 HB2 LYS 57 4.011 -10.236 -12.275 467 2HB LYS 57 HB1 LYS 57 3.831 -9.747 -13.960 468 1HG LYS 57 HG2 LYS 57 3.240 -7.417 -12.618 469 2HG LYS 57 HG1 LYS 57 4.500 -8.123 -11.604 470 1HD LYS 57 HD2 LYS 57 5.717 -8.553 -13.889 471 2HD LYS 57 HD1 LYS 57 4.637 -7.293 -14.487 472 1HE LYS 57 HE2 LYS 57 6.006 -5.724 -13.596 473 2HE LYS 57 HE1 LYS 57 5.730 -6.412 -11.982 474 1HZ LYS 57 HZ1 LYS 57 7.934 -6.877 -12.193 475 2HZ LYS 57 HZ2 LYS 57 7.882 -6.956 -13.889 476 3HZ LYS 57 HZ3 LYS 57 7.319 -8.259 -12.957 477 H ALA 58 HN ALA 58 -0.429 -9.398 -13.349 478 HA ALA 58 HA ALA 58 -0.534 -8.454 -15.962 479 1HB ALA 58 HB1 ALA 58 -2.242 -8.022 -13.507 480 2HB ALA 58 HB2 ALA 58 -2.471 -9.207 -14.793 481 3HB ALA 58 HB3 ALA 58 -2.757 -7.496 -15.110 482 H ASN 59 HN ASN 59 -1.500 -6.179 -13.437 483 HA ASN 59 HA ASN 59 0.385 -4.149 -14.582 484 1HB ASN 59 HB2 ASN 59 -2.519 -4.322 -14.683 485 2HB ASN 59 HB1 ASN 59 -1.996 -2.827 -13.908 486 1HD2 ASN 59 HD21 ASN 59 -0.268 -4.623 -16.487 487 2HD2 ASN 59 HD22 ASN 59 -0.352 -3.371 -17.630 488 H PHE 60 HN PHE 60 -0.583 -2.019 -12.982 489 HA PHE 60 HA PHE 60 -0.788 -2.695 -10.188 490 1HB PHE 60 HB2 PHE 60 1.496 -3.510 -10.658 491 2HB PHE 60 HB1 PHE 60 1.938 -1.917 -11.272 492 HD1 PHE 60 HD1 PHE 60 1.449 0.100 -9.626 493 HD2 PHE 60 HD2 PHE 60 1.893 -3.995 -8.407 494 HE1 PHE 60 HE1 PHE 60 1.984 0.844 -7.320 495 HE2 PHE 60 HE2 PHE 60 2.427 -3.251 -6.102 496 HZ PHE 60 HZ PHE 60 2.473 -0.832 -5.559 497 H GLU 61 HN GLU 61 0.208 -0.362 -12.651 498 HA GLU 61 HA GLU 61 0.181 2.010 -11.075 499 1HB GLU 61 HB2 GLU 61 -0.029 1.208 -13.920 500 2HB GLU 61 HB1 GLU 61 -0.678 2.804 -13.545 501 1HG GLU 61 HG2 GLU 61 1.863 2.353 -12.201 502 2HG GLU 61 HG1 GLU 61 2.015 2.165 -13.949 503 H GLU 62 HN GLU 62 -2.340 1.644 -13.524 504 HA GLU 62 HA GLU 62 -4.333 3.135 -12.307 505 1HB GLU 62 HB2 GLU 62 -4.145 1.726 -14.556 506 2HB GLU 62 HB1 GLU 62 -5.061 0.538 -13.627 507 1HG GLU 62 HG2 GLU 62 -6.724 1.858 -14.677 508 2HG GLU 62 HG1 GLU 62 -6.639 2.491 -13.033 509 H VAL 63 HN VAL 63 -3.584 -0.305 -11.717 510 HA VAL 63 HA VAL 63 -5.712 -0.966 -9.976 511 HB VAL 63 HB VAL 63 -2.798 -1.753 -10.168 512 1HG1 VAL 63 HG11 VAL 63 -4.815 -2.457 -8.088 513 2HG1 VAL 63 HG12 VAL 63 -3.058 -2.366 -7.964 514 3HG1 VAL 63 HG13 VAL 63 -3.818 -3.770 -8.715 515 1HG2 VAL 63 HG21 VAL 63 -5.278 -2.531 -11.421 516 2HG2 VAL 63 HG22 VAL 63 -4.579 -3.908 -10.568 517 3HG2 VAL 63 HG23 VAL 63 -3.637 -3.060 -11.794 518 H ALA 64 HN ALA 64 -2.753 0.866 -9.422 519 HA ALA 64 HA ALA 64 -3.147 1.025 -6.521 520 1HB ALA 64 HB1 ALA 64 -1.319 2.369 -8.540 521 2HB ALA 64 HB2 ALA 64 -0.915 1.019 -7.479 522 3HB ALA 64 HB3 ALA 64 -1.191 2.623 -6.800 523 H THR 65 HN THR 65 -3.004 3.515 -9.092 524 HA THR 65 HA THR 65 -3.965 5.724 -7.750 525 HB THR 65 HB THR 65 -5.287 5.817 -10.184 526 HG1 THR 65 HG1 THR 65 -3.570 4.780 -11.513 527 1HG2 THR 65 HG21 THR 65 -3.147 7.044 -8.972 528 2HG2 THR 65 HG22 THR 65 -3.719 7.400 -10.603 529 3HG2 THR 65 HG23 THR 65 -2.387 6.268 -10.363 530 H ARG 66 HN ARG 66 -5.768 2.851 -8.629 531 HA ARG 66 HA ARG 66 -8.369 4.107 -7.993 532 1HB ARG 66 HB2 ARG 66 -7.567 2.263 -9.797 533 2HB ARG 66 HB1 ARG 66 -8.049 1.190 -8.483 534 1HG ARG 66 HG2 ARG 66 -10.238 2.457 -8.380 535 2HG ARG 66 HG1 ARG 66 -9.751 3.277 -9.864 536 1HD ARG 66 HD2 ARG 66 -11.016 1.447 -10.666 537 2HD ARG 66 HD1 ARG 66 -9.351 0.837 -10.765 538 HE ARG 66 HE ARG 66 -9.734 -0.256 -8.551 539 1HH1 ARG 66 HH21 ARG 66 -12.212 1.286 -7.813 540 2HH1 ARG 66 HH22 ARG 66 -13.459 0.125 -8.124 541 1HH2 ARG 66 HH11 ARG 66 -11.431 -1.928 -10.047 542 2HH2 ARG 66 HH12 ARG 66 -13.016 -1.696 -9.389 543 H VAL 67 HN VAL 67 -6.523 1.261 -6.877 544 HA VAL 67 HA VAL 67 -8.122 1.189 -4.386 545 HB VAL 67 HB VAL 67 -7.375 -1.040 -4.271 546 1HG1 VAL 67 HG11 VAL 67 -7.806 -1.966 -6.387 547 2HG1 VAL 67 HG12 VAL 67 -7.035 -0.625 -7.231 548 3HG1 VAL 67 HG13 VAL 67 -8.604 -0.396 -6.463 549 1HG2 VAL 67 HG21 VAL 67 -5.314 -1.440 -6.090 550 2HG2 VAL 67 HG22 VAL 67 -5.142 -1.335 -4.340 551 3HG2 VAL 67 HG23 VAL 67 -4.905 0.101 -5.337 552 H SER 68 HN SER 68 -6.453 3.472 -4.387 553 HA SER 68 HA SER 68 -4.311 2.620 -2.471 554 1HB SER 68 HB2 SER 68 -4.316 4.665 -4.689 555 2HB SER 68 HB1 SER 68 -3.081 4.627 -3.437 556 HG SER 68 HG SER 68 -2.188 3.058 -4.482 557 H ASP 69 HN ASP 69 -3.555 4.523 -1.096 558 HA ASP 69 HA ASP 69 -5.653 5.494 0.546 559 1HB ASP 69 HB2 ASP 69 -3.466 5.260 1.424 560 2HB ASP 69 HB1 ASP 69 -2.753 6.201 0.114 561 H CYS 70 HN CYS 70 -7.187 6.545 -0.848 562 HA CYS 70 HA CYS 70 -7.967 8.286 -2.303 563 1HB CYS 70 HB2 CYS 70 -8.550 8.919 -0.075 564 2HB CYS 70 HB1 CYS 70 -6.899 9.422 0.286 565 HG CYS 70 HG CYS 70 -7.399 11.651 -0.669 566 H SER 71 HN SER 71 -5.538 10.346 -0.821 567 HA SER 71 HA SER 71 -4.701 11.750 -3.063 568 1HB SER 71 HB2 SER 71 -4.009 12.123 -0.703 569 2HB SER 71 HB1 SER 71 -3.019 10.673 -0.774 570 HG SER 71 HG SER 71 -1.618 11.674 -2.063 571 H SER 72 HN SER 72 -3.115 8.834 -1.772 572 HA SER 72 HA SER 72 -1.295 8.353 -3.873 573 1HB SER 72 HB2 SER 72 -2.881 6.196 -2.458 574 2HB SER 72 HB1 SER 72 -1.192 6.153 -2.954 575 HG SER 72 HG SER 72 -1.008 6.667 -0.883 576 H ALA 73 HN ALA 73 -4.777 7.611 -3.647 577 HA ALA 73 HA ALA 73 -5.092 5.978 -5.923 578 1HB ALA 73 HB1 ALA 73 -6.922 8.306 -5.346 579 2HB ALA 73 HB2 ALA 73 -6.785 6.982 -4.188 580 3HB ALA 73 HB3 ALA 73 -7.347 6.664 -5.829 581 H LYS 74 HN LYS 74 -4.302 9.357 -5.609 582 HA LYS 74 HA LYS 74 -4.551 9.904 -8.512 583 1HB LYS 74 HB2 LYS 74 -5.061 11.503 -6.548 584 2HB LYS 74 HB1 LYS 74 -3.316 11.606 -6.321 585 1HG LYS 74 HG2 LYS 74 -4.149 11.968 -9.116 586 2HG LYS 74 HG1 LYS 74 -4.791 13.201 -8.031 587 1HD LYS 74 HD2 LYS 74 -2.359 13.322 -7.104 588 2HD LYS 74 HD1 LYS 74 -1.916 12.515 -8.609 589 1HE LYS 74 HE2 LYS 74 -1.736 14.838 -9.114 590 2HE LYS 74 HE1 LYS 74 -3.322 14.383 -9.768 591 1HZ LYS 74 HZ1 LYS 74 -2.699 15.770 -7.238 592 2HZ LYS 74 HZ2 LYS 74 -4.150 14.904 -7.413 593 3HZ LYS 74 HZ3 LYS 74 -3.808 16.210 -8.443 594 H ARG 75 HN ARG 75 -2.209 9.180 -6.027 595 HA ARG 75 HA ARG 75 0.004 9.076 -8.051 596 1HB ARG 75 HB2 ARG 75 -0.319 10.284 -5.408 597 2HB ARG 75 HB1 ARG 75 1.064 9.190 -5.451 598 1HG ARG 75 HG2 ARG 75 0.549 11.380 -7.477 599 2HG ARG 75 HG1 ARG 75 1.660 11.525 -6.113 600 1HD ARG 75 HD2 ARG 75 2.216 9.064 -7.486 601 2HD ARG 75 HD1 ARG 75 2.216 10.395 -8.663 602 HE ARG 75 HE ARG 75 4.188 11.158 -7.623 603 1HH1 ARG 75 HH11 ARG 75 4.573 8.555 -6.198 604 2HH1 ARG 75 HH12 ARG 75 4.649 9.054 -4.541 605 1HH2 ARG 75 HH21 ARG 75 3.267 12.177 -5.146 606 2HH2 ARG 75 HH22 ARG 75 3.909 11.106 -3.946 607 H GLY 76 HN GLY 76 -1.521 6.859 -8.022 608 1HA GLY 76 HA2 GLY 76 -0.862 4.988 -5.902 609 2HA GLY 76 HA1 GLY 76 -1.710 4.599 -7.396 610 H GLY 77 HN GLY 77 0.806 6.068 -8.661 611 1HA GLY 77 HA2 GLY 77 2.105 3.736 -9.566 612 2HA GLY 77 HA1 GLY 77 2.846 5.338 -9.570 613 H ASP 78 HN ASP 78 4.280 5.887 -7.916 614 HA ASP 78 HA ASP 78 4.619 4.011 -5.658 615 1HB ASP 78 HB2 ASP 78 6.965 3.558 -6.304 616 2HB ASP 78 HB1 ASP 78 5.853 3.042 -7.573 617 H LEU 79 HN LEU 79 6.426 4.773 -4.205 618 HA LEU 79 HA LEU 79 6.201 7.637 -3.700 619 1HB LEU 79 HB2 LEU 79 7.780 5.329 -2.519 620 2HB LEU 79 HB1 LEU 79 7.861 6.963 -1.869 621 HG LEU 79 HG LEU 79 5.427 6.927 -1.457 622 1HD1 LEU 79 HD11 LEU 79 4.617 5.464 -3.173 623 2HD1 LEU 79 HD12 LEU 79 4.302 4.645 -1.644 624 3HD1 LEU 79 HD13 LEU 79 5.669 4.152 -2.642 625 1HD2 LEU 79 HD21 LEU 79 7.280 5.859 0.098 626 2HD2 LEU 79 HD22 LEU 79 6.456 4.353 -0.305 627 3HD2 LEU 79 HD23 LEU 79 5.573 5.656 0.492 628 H GLY 80 HN GLY 80 8.887 5.434 -4.427 629 1HA GLY 80 HA2 GLY 80 10.494 6.008 -6.234 630 2HA GLY 80 HA1 GLY 80 10.368 7.687 -5.709 631 H SER 81 HN SER 81 11.068 8.157 -3.483 632 HA SER 81 HA SER 81 12.850 6.184 -2.217 633 1HB SER 81 HB2 SER 81 14.834 7.233 -2.740 634 2HB SER 81 HB1 SER 81 13.911 7.554 -4.204 635 HG SER 81 HG SER 81 15.025 9.372 -2.963 636 H PHE 82 HN PHE 82 12.697 6.457 -0.063 637 HA PHE 82 HA PHE 82 12.502 9.135 1.141 638 1HB PHE 82 HB2 PHE 82 10.325 8.447 2.270 639 2HB PHE 82 HB1 PHE 82 10.197 8.723 0.534 640 HD1 PHE 82 HD1 PHE 82 10.482 6.665 -1.020 641 HD2 PHE 82 HD2 PHE 82 9.667 6.387 3.188 642 HE1 PHE 82 HE1 PHE 82 9.657 4.346 -1.332 643 HE2 PHE 82 HE2 PHE 82 8.846 4.069 2.877 644 HZ PHE 82 HZ PHE 82 8.840 3.048 0.616 645 H GLY 83 HN GLY 83 11.439 7.974 3.650 646 1HA GLY 83 HA2 GLY 83 12.569 5.686 4.636 647 2HA GLY 83 HA1 GLY 83 13.943 6.788 4.594 648 H ARG 84 HN ARG 84 13.717 8.825 5.812 649 HA ARG 84 HA ARG 84 12.064 8.411 8.265 650 1HB ARG 84 HB2 ARG 84 14.346 10.340 7.780 651 2HB ARG 84 HB1 ARG 84 13.736 9.772 9.331 652 1HG ARG 84 HG2 ARG 84 15.283 8.209 7.255 653 2HG ARG 84 HG1 ARG 84 15.730 8.523 8.931 654 1HD ARG 84 HD2 ARG 84 13.437 6.764 7.981 655 2HD ARG 84 HD1 ARG 84 14.924 6.228 8.783 656 HE ARG 84 HE ARG 84 13.304 8.236 10.230 657 1HH1 ARG 84 HH21 ARG 84 15.430 5.917 10.912 658 2HH1 ARG 84 HH22 ARG 84 14.434 4.981 11.977 659 1HH2 ARG 84 HH11 ARG 84 11.506 6.630 11.115 660 2HH2 ARG 84 HH12 ARG 84 12.211 5.384 12.091 661 H GLY 85 HN GLY 85 10.289 9.711 8.528 662 1HA GLY 85 HA2 GLY 85 9.236 11.886 8.641 663 2HA GLY 85 HA1 GLY 85 10.348 12.458 7.400 664 H GLN 86 HN GLN 86 9.120 9.411 6.577 665 HA GLN 86 HA GLN 86 6.949 10.680 4.930 666 1HB GLN 86 HB2 GLN 86 8.650 8.347 4.054 667 2HB GLN 86 HB1 GLN 86 7.720 9.460 3.054 668 1HG GLN 86 HG2 GLN 86 9.476 11.126 4.412 669 2HG GLN 86 HG1 GLN 86 10.451 9.700 4.049 670 1HE2 GLN 86 HE21 GLN 86 11.675 10.684 2.321 671 2HE2 GLN 86 HE22 GLN 86 10.961 11.150 0.853 672 H MET 87 HN MET 87 8.160 7.398 5.636 673 HA MET 87 HA MET 87 5.341 6.512 6.103 674 1HB MET 87 HB2 MET 87 7.809 5.464 4.882 675 2HB MET 87 HB1 MET 87 6.951 4.288 5.883 676 1HG MET 87 HG2 MET 87 6.274 4.436 3.392 677 2HG MET 87 HG1 MET 87 4.975 4.450 4.582 678 1HE MET 87 HE1 MET 87 6.938 6.400 1.850 679 2HE MET 87 HE2 MET 87 7.625 6.947 3.377 680 3HE MET 87 HE3 MET 87 6.725 8.076 2.368 681 H GLN 88 HN GLN 88 4.772 5.870 8.162 682 HA GLN 88 HA GLN 88 6.383 6.339 10.441 683 1HB GLN 88 HB2 GLN 88 3.808 5.150 9.723 684 2HB GLN 88 HB1 GLN 88 4.508 4.399 11.153 685 1HG GLN 88 HG2 GLN 88 4.964 6.830 11.943 686 2HG GLN 88 HG1 GLN 88 3.770 7.283 10.725 687 1HE2 GLN 88 HE21 GLN 88 4.011 4.604 13.144 688 2HE2 GLN 88 HE22 GLN 88 2.445 4.827 13.757 689 H LYS 89 HN LYS 89 6.050 3.851 11.909 690 HA LYS 89 HA LYS 89 8.511 2.511 11.087 691 1HB LYS 89 HB2 LYS 89 8.201 1.352 13.212 692 2HB LYS 89 HB1 LYS 89 7.874 3.073 13.420 693 1HG LYS 89 HG2 LYS 89 5.534 2.740 13.487 694 2HG LYS 89 HG1 LYS 89 5.658 1.126 12.786 695 1HD LYS 89 HD2 LYS 89 5.342 0.600 15.030 696 2HD LYS 89 HD1 LYS 89 7.104 0.639 14.945 697 1HE LYS 89 HE2 LYS 89 7.058 2.210 16.581 698 2HE LYS 89 HE1 LYS 89 6.307 3.313 15.410 699 1HZ LYS 89 HZ1 LYS 89 4.216 1.843 15.977 700 2HZ LYS 89 HZ2 LYS 89 4.628 3.191 16.925 701 3HZ LYS 89 HZ3 LYS 89 5.043 1.627 17.443 702 HA PRO 90 HA PRO 90 5.381 -1.054 10.381 703 1HB PRO 90 HB2 PRO 90 3.021 -0.363 9.189 704 2HB PRO 90 HB1 PRO 90 3.224 -0.493 10.947 705 1HG PRO 90 HG2 PRO 90 3.095 1.914 9.233 706 2HG PRO 90 HG1 PRO 90 2.551 1.678 10.899 707 1HD PRO 90 HD2 PRO 90 4.875 2.964 10.134 708 2HD PRO 90 HD1 PRO 90 4.554 2.317 11.757 709 H PHE 91 HN PHE 91 4.600 1.512 7.973 710 HA PHE 91 HA PHE 91 5.008 -0.141 5.686 711 1HB PHE 91 HB2 PHE 91 3.861 2.010 5.590 712 2HB PHE 91 HB1 PHE 91 5.309 2.849 6.135 713 HD1 PHE 91 HD1 PHE 91 7.507 2.238 4.590 714 HD2 PHE 91 HD2 PHE 91 3.409 2.085 3.315 715 HE1 PHE 91 HE1 PHE 91 8.242 2.373 2.259 716 HE2 PHE 91 HE2 PHE 91 4.159 2.244 0.949 717 HZ PHE 91 HZ PHE 91 6.574 2.390 0.423 718 H GLU 92 HN GLU 92 7.200 2.278 7.114 719 HA GLU 92 HA GLU 92 9.464 2.028 5.599 720 1HB GLU 92 HB2 GLU 92 8.976 3.339 7.765 721 2HB GLU 92 HB1 GLU 92 9.537 1.905 8.623 722 1HG GLU 92 HG2 GLU 92 11.717 2.062 7.657 723 2HG GLU 92 HG1 GLU 92 11.180 3.260 6.480 724 H GLU 93 HN GLU 93 9.230 0.066 8.577 725 HA GLU 93 HA GLU 93 11.257 -1.745 8.066 726 1HB GLU 93 HB2 GLU 93 10.303 -2.935 9.802 727 2HB GLU 93 HB1 GLU 93 9.389 -1.439 9.965 728 1HG GLU 93 HG2 GLU 93 7.630 -2.465 8.458 729 2HG GLU 93 HG1 GLU 93 8.506 -3.989 8.593 730 H ALA 94 HN ALA 94 8.116 -1.569 6.497 731 HA ALA 94 HA ALA 94 8.109 -4.180 5.287 732 1HB ALA 94 HB1 ALA 94 6.940 -1.828 3.880 733 2HB ALA 94 HB2 ALA 94 6.374 -2.120 5.525 734 3HB ALA 94 HB3 ALA 94 6.188 -3.369 4.292 735 H THR 95 HN THR 95 8.875 -1.005 3.835 736 HA THR 95 HA THR 95 10.029 -2.138 1.447 737 HB THR 95 HB THR 95 10.672 0.571 2.618 738 HG1 THR 95 HG1 THR 95 8.242 -0.375 1.518 739 1HG2 THR 95 HG21 THR 95 10.407 1.190 0.194 740 2HG2 THR 95 HG22 THR 95 10.177 -0.523 -0.161 741 3HG2 THR 95 HG23 THR 95 11.711 0.042 0.497 742 H TYR 96 HN TYR 96 11.266 -1.307 4.617 743 HA TYR 96 HA TYR 96 14.087 -1.454 3.894 744 1HB TYR 96 HB2 TYR 96 12.381 -1.251 6.349 745 2HB TYR 96 HB1 TYR 96 14.061 -1.745 6.550 746 HD1 TYR 96 HD1 TYR 96 11.809 0.963 5.475 747 HD2 TYR 96 HD2 TYR 96 15.901 -0.220 6.017 748 HE1 TYR 96 HE1 TYR 96 12.525 3.323 5.220 749 HE2 TYR 96 HE2 TYR 96 16.614 2.144 5.766 750 HH TYR 96 HH TYR 96 15.396 4.302 4.462 751 H ALA 97 HN ALA 97 11.586 -3.685 4.905 752 HA ALA 97 HA ALA 97 13.436 -5.872 5.558 753 1HB ALA 97 HB1 ALA 97 11.408 -5.788 6.781 754 2HB ALA 97 HB2 ALA 97 11.133 -7.075 5.607 755 3HB ALA 97 HB3 ALA 97 10.452 -5.472 5.334 756 H LEU 98 HN LEU 98 11.593 -4.781 2.757 757 HA LEU 98 HA LEU 98 11.940 -7.326 1.312 758 1HB LEU 98 HB2 LEU 98 10.132 -5.266 1.277 759 2HB LEU 98 HB1 LEU 98 11.127 -4.878 -0.127 760 HG LEU 98 HG LEU 98 10.816 -7.553 -0.483 761 1HD1 LEU 98 HD11 LEU 98 8.052 -6.764 0.331 762 2HD1 LEU 98 HD12 LEU 98 9.173 -7.249 1.602 763 3HD1 LEU 98 HD13 LEU 98 8.795 -8.363 0.289 764 1HD2 LEU 98 HD21 LEU 98 9.970 -5.170 -1.695 765 2HD2 LEU 98 HD22 LEU 98 8.504 -6.137 -1.539 766 3HD2 LEU 98 HD23 LEU 98 9.901 -6.785 -2.399 767 H LYS 99 HN LYS 99 12.763 -6.940 -1.100 768 HA LYS 99 HA LYS 99 14.807 -4.971 -1.584 769 1HB LYS 99 HB2 LYS 99 16.759 -6.508 -1.287 770 2HB LYS 99 HB1 LYS 99 15.919 -6.182 0.229 771 1HG LYS 99 HG2 LYS 99 14.634 -8.306 -0.081 772 2HG LYS 99 HG1 LYS 99 15.614 -8.647 -1.507 773 1HD LYS 99 HD2 LYS 99 17.652 -8.631 -0.142 774 2HD LYS 99 HD1 LYS 99 16.706 -8.225 1.291 775 1HE LYS 99 HE2 LYS 99 15.479 -10.355 1.112 776 2HE LYS 99 HE1 LYS 99 16.397 -10.766 -0.351 777 1HZ LYS 99 HZ1 LYS 99 17.325 -10.567 2.428 778 2HZ LYS 99 HZ2 LYS 99 18.408 -10.161 1.184 779 3HZ LYS 99 HZ3 LYS 99 17.720 -11.714 1.242 780 H VAL 100 HN VAL 100 12.959 -5.583 -3.345 781 HA VAL 100 HA VAL 100 12.547 -6.413 -5.518 782 HB VAL 100 HB VAL 100 15.559 -6.749 -5.328 783 1HG1 VAL 100 HG11 VAL 100 14.612 -6.045 -7.936 784 2HG1 VAL 100 HG12 VAL 100 13.704 -7.452 -7.384 785 3HG1 VAL 100 HG13 VAL 100 15.466 -7.508 -7.446 786 1HG2 VAL 100 HG21 VAL 100 15.030 -4.489 -6.810 787 2HG2 VAL 100 HG22 VAL 100 15.450 -4.487 -5.097 788 3HG2 VAL 100 HG23 VAL 100 13.758 -4.429 -5.590 789 H GLY 101 HN GLY 101 12.769 -8.320 -3.102 790 1HA GLY 101 HA2 GLY 101 13.252 -10.823 -4.668 791 2HA GLY 101 HA1 GLY 101 13.514 -10.702 -2.928 792 H ASP 102 HN ASP 102 11.019 -9.009 -2.704 793 HA ASP 102 HA ASP 102 8.956 -11.132 -3.173 794 1HB ASP 102 HB2 ASP 102 9.766 -9.667 -0.664 795 2HB ASP 102 HB1 ASP 102 8.139 -10.326 -0.828 796 H ILE 103 HN ILE 103 6.718 -9.962 -2.381 797 HA ILE 103 HA ILE 103 6.649 -7.311 -3.787 798 HB ILE 103 HB ILE 103 4.583 -9.522 -3.529 799 1HG1 ILE 103 HG12 ILE 103 6.332 -8.552 -5.809 800 2HG1 ILE 103 HG11 ILE 103 6.351 -10.147 -5.060 801 1HG2 ILE 103 HG21 ILE 103 3.304 -7.564 -3.696 802 2HG2 ILE 103 HG22 ILE 103 3.511 -8.007 -5.390 803 3HG2 ILE 103 HG23 ILE 103 4.514 -6.742 -4.681 804 1HD1 ILE 103 HD11 ILE 103 4.536 -9.064 -7.111 805 2HD1 ILE 103 HD12 ILE 103 3.714 -9.909 -5.800 806 3HD1 ILE 103 HD13 ILE 103 4.948 -10.739 -6.748 807 H SER 104 HN SER 104 7.126 -7.828 -0.897 808 HA SER 104 HA SER 104 6.399 -6.967 1.178 809 1HB SER 104 HB2 SER 104 6.379 -4.878 0.029 810 2HB SER 104 HB1 SER 104 4.938 -5.307 -0.885 811 HG SER 104 HG SER 104 3.713 -4.980 0.866 812 H ASP 105 HN ASP 105 5.257 -8.644 2.176 813 HA ASP 105 HA ASP 105 2.819 -9.812 1.371 814 1HB ASP 105 HB2 ASP 105 2.671 -10.307 3.891 815 2HB ASP 105 HB1 ASP 105 4.158 -10.806 3.084 816 H ILE 106 HN ILE 106 0.882 -9.539 3.241 817 HA ILE 106 HA ILE 106 -0.533 -7.190 2.541 818 HB ILE 106 HB ILE 106 -1.830 -7.821 4.688 819 1HG1 ILE 106 HG12 ILE 106 0.566 -9.166 5.221 820 2HG1 ILE 106 HG11 ILE 106 -0.946 -9.346 6.102 821 1HG2 ILE 106 HG21 ILE 106 -2.713 -8.586 2.649 822 2HG2 ILE 106 HG22 ILE 106 -2.501 -10.069 3.579 823 3HG2 ILE 106 HG23 ILE 106 -1.330 -9.634 2.335 824 1HD1 ILE 106 HD11 ILE 106 -0.248 -10.970 3.638 825 2HD1 ILE 106 HD12 ILE 106 -1.596 -11.234 4.743 826 3HD1 ILE 106 HD13 ILE 106 0.058 -11.519 5.286 827 H VAL 107 HN VAL 107 0.396 -5.183 2.917 828 HA VAL 107 HA VAL 107 1.830 -4.610 5.425 829 HB VAL 107 HB VAL 107 0.985 -2.814 3.126 830 1HG1 VAL 107 HG11 VAL 107 2.121 -1.181 4.186 831 2HG1 VAL 107 HG12 VAL 107 3.516 -2.233 4.417 832 3HG1 VAL 107 HG13 VAL 107 2.203 -2.238 5.595 833 1HG2 VAL 107 HG21 VAL 107 3.762 -3.609 3.116 834 2HG2 VAL 107 HG22 VAL 107 2.552 -3.812 1.849 835 3HG2 VAL 107 HG23 VAL 107 2.732 -5.040 3.102 836 H ASP 108 HN ASP 108 -0.098 -5.037 6.828 837 HA ASP 108 HA ASP 108 -2.348 -3.131 6.632 838 1HB ASP 108 HB2 ASP 108 -3.137 -4.510 8.593 839 2HB ASP 108 HB1 ASP 108 -2.809 -5.445 7.133 840 H THR 109 HN THR 109 -1.941 -1.107 7.448 841 HA THR 109 HA THR 109 -1.266 -0.800 10.259 842 HB THR 109 HB THR 109 0.936 -1.271 9.046 843 HG1 THR 109 HG1 THR 109 0.294 0.641 10.834 844 1HG2 THR 109 HG21 THR 109 1.179 1.510 8.175 845 2HG2 THR 109 HG22 THR 109 -0.023 0.612 7.249 846 3HG2 THR 109 HG23 THR 109 1.639 0.028 7.339 847 H ASP 110 HN ASP 110 -0.109 1.958 9.501 848 HA ASP 110 HA ASP 110 -2.213 3.653 9.906 849 1HB ASP 110 HB2 ASP 110 0.380 3.893 9.146 850 2HB ASP 110 HB1 ASP 110 -0.419 4.429 7.668 851 H SER 111 HN SER 111 -3.856 4.649 8.646 852 HA SER 111 HA SER 111 -5.418 4.867 6.890 853 1HB SER 111 HB2 SER 111 -3.270 3.509 5.245 854 2HB SER 111 HB1 SER 111 -4.557 4.548 4.651 855 HG SER 111 HG SER 111 -3.291 5.898 6.526 856 H GLY 112 HN GLY 112 -3.698 1.760 6.452 857 1HA GLY 112 HA2 GLY 112 -5.663 0.014 7.334 858 2HA GLY 112 HA1 GLY 112 -6.122 0.373 5.670 859 H VAL 113 HN VAL 113 -5.497 -1.378 4.477 860 HA VAL 113 HA VAL 113 -2.806 -2.557 5.016 861 HB VAL 113 HB VAL 113 -3.709 -4.536 3.950 862 1HG1 VAL 113 HG11 VAL 113 -5.106 -3.180 6.130 863 2HG1 VAL 113 HG12 VAL 113 -4.639 -4.874 5.984 864 3HG1 VAL 113 HG13 VAL 113 -6.151 -4.312 5.273 865 1HG2 VAL 113 HG21 VAL 113 -5.014 -4.031 2.154 866 2HG2 VAL 113 HG22 VAL 113 -5.615 -2.544 2.887 867 3HG2 VAL 113 HG23 VAL 113 -6.326 -4.096 3.330 868 H HIS 114 HN HIS 114 -1.210 -2.155 3.569 869 HA HIS 114 HA HIS 114 -1.993 -1.073 0.883 870 1HB HIS 114 HB2 HIS 114 0.554 -0.601 2.451 871 2HB HIS 114 HB1 HIS 114 -0.025 0.305 1.060 872 HD1 HIS 114 HD1 HIS 114 -0.746 2.541 1.865 873 HD2 HIS 114 HD2 HIS 114 -1.875 -0.474 4.513 874 HE1 HIS 114 HE1 HIS 114 -2.068 3.666 3.707 875 H ILE 115 HN ILE 115 0.075 -1.323 -0.635 876 HA ILE 115 HA ILE 115 1.410 -3.948 -0.238 877 HB ILE 115 HB ILE 115 0.188 -4.990 -1.843 878 1HG1 ILE 115 HG12 ILE 115 0.482 -2.557 -3.630 879 2HG1 ILE 115 HG11 ILE 115 1.631 -3.885 -3.550 880 1HG2 ILE 115 HG21 ILE 115 -1.619 -3.567 -0.815 881 2HG2 ILE 115 HG22 ILE 115 -1.956 -4.099 -2.462 882 3HG2 ILE 115 HG23 ILE 115 -1.418 -2.446 -2.161 883 1HD1 ILE 115 HD11 ILE 115 -1.279 -4.078 -4.370 884 2HD1 ILE 115 HD12 ILE 115 -0.202 -5.461 -4.176 885 3HD1 ILE 115 HD13 ILE 115 0.122 -4.259 -5.426 886 H ILE 116 HN ILE 116 3.502 -3.237 -0.254 887 HA ILE 116 HA ILE 116 4.319 -1.005 -2.016 888 HB ILE 116 HB ILE 116 5.624 -2.654 0.164 889 1HG1 ILE 116 HG12 ILE 116 5.529 0.184 0.608 890 2HG1 ILE 116 HG11 ILE 116 3.922 -0.373 0.139 891 1HG2 ILE 116 HG21 ILE 116 7.635 -1.952 -0.560 892 2HG2 ILE 116 HG22 ILE 116 7.097 -0.281 -0.387 893 3HG2 ILE 116 HG23 ILE 116 6.875 -1.126 -1.920 894 1HD1 ILE 116 HD11 ILE 116 5.043 -2.290 1.945 895 2HD1 ILE 116 HD12 ILE 116 3.624 -1.270 2.179 896 3HD1 ILE 116 HD13 ILE 116 5.218 -0.687 2.660 897 H LYS 117 HN LYS 117 5.879 -1.219 -3.674 898 HA LYS 117 HA LYS 117 6.838 -3.980 -4.312 899 1HB LYS 117 HB2 LYS 117 4.681 -2.742 -5.541 900 2HB LYS 117 HB1 LYS 117 6.017 -2.393 -6.640 901 1HG LYS 117 HG2 LYS 117 6.603 -4.917 -6.358 902 2HG LYS 117 HG1 LYS 117 4.948 -5.070 -5.769 903 1HD LYS 117 HD2 LYS 117 4.852 -5.497 -8.121 904 2HD LYS 117 HD1 LYS 117 4.217 -3.867 -7.896 905 1HE LYS 117 HE2 LYS 117 6.797 -3.218 -8.236 906 2HE LYS 117 HE1 LYS 117 6.783 -4.736 -9.156 907 1HZ LYS 117 HZ1 LYS 117 6.085 -3.033 -10.636 908 2HZ LYS 117 HZ2 LYS 117 4.987 -2.398 -9.506 909 3HZ LYS 117 HZ3 LYS 117 4.694 -3.911 -10.221 910 H ARG 118 HN ARG 118 9.030 -3.549 -4.013 911 HA ARG 118 HA ARG 118 10.183 -1.116 -5.312 912 1HB ARG 118 HB2 ARG 118 10.768 -1.235 -3.028 913 2HB ARG 118 HB1 ARG 118 10.969 -2.985 -3.080 914 1HG ARG 118 HG2 ARG 118 13.172 -1.991 -2.981 915 2HG ARG 118 HG1 ARG 118 12.946 -2.639 -4.605 916 1HD ARG 118 HD2 ARG 118 12.527 -0.457 -5.519 917 2HD ARG 118 HD1 ARG 118 12.388 0.261 -3.901 918 HE ARG 118 HE ARG 118 14.903 -0.973 -3.956 919 1HH1 ARG 118 HH11 ARG 118 13.294 1.161 -6.111 920 2HH1 ARG 118 HH12 ARG 118 14.672 2.184 -6.348 921 1HH2 ARG 118 HH21 ARG 118 16.666 0.470 -4.091 922 2HH2 ARG 118 HH22 ARG 118 16.578 1.793 -5.206 923 H THR 119 HN THR 119 10.558 -1.739 -7.456 924 HA THR 119 HA THR 119 11.403 -3.031 -9.264 925 HB THR 119 HB THR 119 13.855 -3.742 -8.509 926 HG1 THR 119 HG1 THR 119 14.473 -2.568 -6.690 927 1HG2 THR 119 HG21 THR 119 13.785 -0.869 -8.285 928 2HG2 THR 119 HG22 THR 119 12.634 -1.399 -9.512 929 3HG2 THR 119 HG23 THR 119 14.332 -1.859 -9.638 930 H ALA 120 HN ALA 120 9.791 -4.579 -7.253 931 HA ALA 120 HA ALA 120 11.107 -7.254 -7.602 932 1HB ALA 120 HB1 ALA 120 9.080 -7.324 -5.613 933 2HB ALA 120 HB2 ALA 120 10.007 -5.849 -5.339 934 3HB ALA 120 HB3 ALA 120 10.824 -7.413 -5.368 Start of MODEL 10 1 1H HIS 1 HT1 HIS 1 26.141 11.712 8.657 2 2H HIS 1 HT2 HIS 1 25.020 12.457 9.695 3 3H HIS 1 HT3 HIS 1 26.445 13.271 9.253 4 HA HIS 1 HA HIS 1 24.365 12.468 7.285 5 1HB HIS 1 HB2 HIS 1 24.695 14.823 9.125 6 2HB HIS 1 HB1 HIS 1 23.955 15.065 7.542 7 HD1 HIS 1 HD1 HIS 1 23.343 13.562 10.892 8 HD2 HIS 1 HD2 HIS 1 21.462 13.648 7.172 9 HE1 HIS 1 HE1 HIS 1 20.992 12.697 11.258 10 H MET 2 HN MET 2 24.579 14.413 5.549 11 HA MET 2 HA MET 2 25.925 15.307 3.827 12 1HB MET 2 HB2 MET 2 27.100 15.904 6.449 13 2HB MET 2 HB1 MET 2 28.278 15.967 5.137 14 1HG MET 2 HG2 MET 2 27.471 18.094 4.893 15 2HG MET 2 HG1 MET 2 26.213 17.274 3.968 16 1HE MET 2 HE1 MET 2 24.526 18.361 3.955 17 2HE MET 2 HE2 MET 2 24.476 19.798 4.973 18 3HE MET 2 HE3 MET 2 23.292 18.516 5.214 19 H ALA 3 HN ALA 3 25.973 12.594 3.684 20 HA ALA 3 HA ALA 3 28.675 12.044 2.672 21 1HB ALA 3 HB1 ALA 3 29.116 10.212 4.202 22 2HB ALA 3 HB2 ALA 3 27.516 10.374 4.925 23 3HB ALA 3 HB3 ALA 3 28.725 11.635 5.168 24 H SER 4 HN SER 4 28.447 9.260 2.450 25 HA SER 4 HA SER 4 26.846 8.859 0.179 26 1HB SER 4 HB2 SER 4 27.055 6.407 0.923 27 2HB SER 4 HB1 SER 4 28.562 7.307 0.775 28 HG SER 4 HG SER 4 27.078 7.005 3.179 29 H ARG 5 HN ARG 5 24.669 8.425 -0.130 30 HA ARG 5 HA ARG 5 22.971 8.191 2.332 31 1HB ARG 5 HB2 ARG 5 21.220 9.157 0.740 32 2HB ARG 5 HB1 ARG 5 22.558 10.233 1.141 33 1HG ARG 5 HG2 ARG 5 23.108 8.518 -1.177 34 2HG ARG 5 HG1 ARG 5 21.742 9.606 -1.422 35 1HD ARG 5 HD2 ARG 5 24.442 10.523 -0.373 36 2HD ARG 5 HD1 ARG 5 23.951 10.632 -2.075 37 HE ARG 5 HE ARG 5 22.343 11.908 0.107 38 1HH1 ARG 5 HH11 ARG 5 21.945 11.601 -3.058 39 2HH1 ARG 5 HH12 ARG 5 22.175 13.259 -3.504 40 1HH2 ARG 5 HH21 ARG 5 23.473 14.182 -0.425 41 2HH2 ARG 5 HH22 ARG 5 23.040 14.719 -2.013 42 H ASP 6 HN ASP 6 20.646 7.278 1.326 43 HA ASP 6 HA ASP 6 21.040 5.020 -0.515 44 1HB ASP 6 HB2 ASP 6 21.801 4.610 2.045 45 2HB ASP 6 HB1 ASP 6 20.085 4.229 2.190 46 H GLN 7 HN GLN 7 18.876 5.908 2.183 47 HA GLN 7 HA GLN 7 16.546 6.314 2.207 48 1HB GLN 7 HB2 GLN 7 17.506 7.756 0.223 49 2HB GLN 7 HB1 GLN 7 16.685 6.565 -0.787 50 1HG GLN 7 HG2 GLN 7 14.559 7.080 0.152 51 2HG GLN 7 HG1 GLN 7 15.283 7.981 1.485 52 1HE2 GLN 7 HE21 GLN 7 16.735 8.467 -1.648 53 2HE2 GLN 7 HE22 GLN 7 16.056 9.993 -1.950 54 H VAL 8 HN VAL 8 14.470 5.318 1.426 55 HA VAL 8 HA VAL 8 14.932 2.566 0.317 56 HB VAL 8 HB VAL 8 14.324 2.290 2.575 57 1HG1 VAL 8 HG11 VAL 8 13.872 4.438 3.369 58 2HG1 VAL 8 HG12 VAL 8 12.279 3.686 3.453 59 3HG1 VAL 8 HG13 VAL 8 12.677 4.759 2.113 60 1HG2 VAL 8 HG21 VAL 8 12.496 0.988 2.276 61 2HG2 VAL 8 HG22 VAL 8 12.437 1.612 0.627 62 3HG2 VAL 8 HG23 VAL 8 11.484 2.381 1.896 63 H LYS 9 HN LYS 9 14.428 3.220 -1.876 64 HA LYS 9 HA LYS 9 12.077 4.727 -2.591 65 1HB LYS 9 HB2 LYS 9 13.823 2.736 -4.071 66 2HB LYS 9 HB1 LYS 9 12.569 3.707 -4.840 67 1HG LYS 9 HG2 LYS 9 13.926 5.629 -3.487 68 2HG LYS 9 HG1 LYS 9 15.236 4.518 -3.883 69 1HD LYS 9 HD2 LYS 9 14.678 4.602 -6.238 70 2HD LYS 9 HD1 LYS 9 13.222 5.540 -5.907 71 1HE LYS 9 HE2 LYS 9 14.412 7.460 -6.000 72 2HE LYS 9 HE1 LYS 9 15.508 6.866 -4.736 73 1HZ LYS 9 HZ1 LYS 9 16.577 5.477 -6.486 74 2HZ LYS 9 HZ2 LYS 9 16.788 7.148 -6.713 75 3HZ LYS 9 HZ3 LYS 9 15.653 6.297 -7.648 76 H ALA 10 HN ALA 10 10.157 3.732 -3.768 77 HA ALA 10 HA ALA 10 9.574 0.951 -3.757 78 1HB ALA 10 HB1 ALA 10 9.417 2.337 -1.160 79 2HB ALA 10 HB2 ALA 10 9.600 0.619 -1.509 80 3HB ALA 10 HB3 ALA 10 8.001 1.361 -1.550 81 H SER 11 HN SER 11 7.159 0.494 -3.702 82 HA SER 11 HA SER 11 5.571 2.829 -4.713 83 1HB SER 11 HB2 SER 11 6.345 1.239 -6.480 84 2HB SER 11 HB1 SER 11 5.567 -0.078 -5.608 85 HG SER 11 HG SER 11 4.466 1.361 -7.411 86 H HIS 12 HN HIS 12 3.034 1.810 -4.717 87 HA HIS 12 HA HIS 12 2.522 -0.023 -2.538 88 1HB HIS 12 HB2 HIS 12 2.490 1.341 -0.726 89 2HB HIS 12 HB1 HIS 12 3.468 2.409 -1.726 90 HD1 HIS 12 HD1 HIS 12 -0.002 1.965 -0.369 91 HD2 HIS 12 HD2 HIS 12 2.094 4.712 -2.700 92 HE1 HIS 12 HE1 HIS 12 -1.477 4.013 -0.562 93 H ILE 13 HN ILE 13 0.267 -0.270 -2.028 94 HA ILE 13 HA ILE 13 -1.699 1.184 -3.733 95 HB ILE 13 HB ILE 13 -0.869 -1.695 -3.818 96 1HG1 ILE 13 HG12 ILE 13 -1.785 0.428 -5.757 97 2HG1 ILE 13 HG11 ILE 13 -0.236 -0.409 -5.704 98 1HG2 ILE 13 HG21 ILE 13 -3.717 -0.792 -4.367 99 2HG2 ILE 13 HG22 ILE 13 -3.218 -1.788 -3.000 100 3HG2 ILE 13 HG23 ILE 13 -3.069 -2.409 -4.644 101 1HD1 ILE 13 HD11 ILE 13 -1.692 -1.234 -7.553 102 2HD1 ILE 13 HD12 ILE 13 -2.892 -1.725 -6.357 103 3HD1 ILE 13 HD13 ILE 13 -1.309 -2.502 -6.388 104 H LEU 14 HN LEU 14 -4.008 0.427 -2.978 105 HA LEU 14 HA LEU 14 -4.054 -0.507 -0.155 106 1HB LEU 14 HB2 LEU 14 -3.786 1.878 0.060 107 2HB LEU 14 HB1 LEU 14 -4.997 2.184 -1.184 108 HG LEU 14 HG LEU 14 -6.433 0.663 0.586 109 1HD1 LEU 14 HD11 LEU 14 -4.973 2.550 2.395 110 2HD1 LEU 14 HD12 LEU 14 -4.249 0.978 2.057 111 3HD1 LEU 14 HD13 LEU 14 -5.849 1.072 2.792 112 1HD2 LEU 14 HD21 LEU 14 -6.700 3.079 -0.513 113 2HD2 LEU 14 HD22 LEU 14 -6.243 3.602 1.107 114 3HD2 LEU 14 HD23 LEU 14 -7.673 2.603 0.877 115 H ILE 15 HN ILE 15 -5.893 -1.703 0.245 116 HA ILE 15 HA ILE 15 -8.003 -1.706 -1.883 117 HB ILE 15 HB ILE 15 -6.467 -3.736 -1.370 118 1HG1 ILE 15 HG12 ILE 15 -9.395 -4.380 -1.091 119 2HG1 ILE 15 HG11 ILE 15 -8.791 -3.632 -2.570 120 1HG2 ILE 15 HG21 ILE 15 -7.311 -5.151 0.502 121 2HG2 ILE 15 HG22 ILE 15 -8.358 -3.822 1.001 122 3HG2 ILE 15 HG23 ILE 15 -6.605 -3.638 1.069 123 1HD1 ILE 15 HD11 ILE 15 -6.978 -5.710 -1.923 124 2HD1 ILE 15 HD12 ILE 15 -8.113 -5.658 -3.272 125 3HD1 ILE 15 HD13 ILE 15 -8.598 -6.383 -1.739 126 H LYS 16 HN LYS 16 -7.354 -0.807 1.305 127 HA LYS 16 HA LYS 16 -8.760 -0.013 3.024 128 1HB LYS 16 HB2 LYS 16 -10.946 -0.417 0.959 129 2HB LYS 16 HB1 LYS 16 -10.947 0.715 2.310 130 1HG LYS 16 HG2 LYS 16 -9.774 2.252 1.147 131 2HG LYS 16 HG1 LYS 16 -8.598 1.051 0.616 132 1HD LYS 16 HD2 LYS 16 -9.923 0.413 -1.249 133 2HD LYS 16 HD1 LYS 16 -11.351 1.230 -0.611 134 1HE LYS 16 HE2 LYS 16 -10.183 3.424 -0.874 135 2HE LYS 16 HE1 LYS 16 -8.815 2.572 -1.617 136 1HZ LYS 16 HZ1 LYS 16 -10.680 3.449 -3.140 137 2HZ LYS 16 HZ2 LYS 16 -11.568 2.115 -2.575 138 3HZ LYS 16 HZ3 LYS 16 -10.099 1.877 -3.396 139 H HIS 17 HN HIS 17 -10.505 -0.788 4.499 140 HA HIS 17 HA HIS 17 -11.815 -3.326 4.148 141 1HB HIS 17 HB2 HIS 17 -10.338 -4.728 5.459 142 2HB HIS 17 HB1 HIS 17 -9.361 -3.950 4.215 143 HD1 HIS 17 HD1 HIS 17 -9.755 -1.181 6.152 144 HD2 HIS 17 HD2 HIS 17 -7.775 -4.760 6.943 145 HE1 HIS 17 HE1 HIS 17 -8.078 -0.681 7.982 146 H GLN 18 HN GLN 18 -11.540 -4.137 6.947 147 HA GLN 18 HA GLN 18 -13.557 -2.502 8.153 148 1HB GLN 18 HB2 GLN 18 -11.828 -4.797 8.802 149 2HB GLN 18 HB1 GLN 18 -12.310 -3.848 10.209 150 1HG GLN 18 HG2 GLN 18 -14.571 -4.193 8.448 151 2HG GLN 18 HG1 GLN 18 -13.861 -5.764 8.824 152 1HE2 GLN 18 HE21 GLN 18 -15.260 -2.839 10.322 153 2HE2 GLN 18 HE22 GLN 18 -15.603 -3.570 11.815 154 H GLY 19 HN GLY 19 -10.565 -3.046 9.924 155 1HA GLY 19 HA2 GLY 19 -9.125 -1.552 11.022 156 2HA GLY 19 HA1 GLY 19 -9.539 -0.371 9.779 157 H SER 20 HN SER 20 -10.090 1.449 10.936 158 HA SER 20 HA SER 20 -12.540 1.370 12.549 159 1HB SER 20 HB2 SER 20 -9.997 0.961 13.743 160 2HB SER 20 HB1 SER 20 -10.504 2.588 14.189 161 HG SER 20 HG SER 20 -11.280 0.903 15.602 162 H ARG 21 HN ARG 21 -13.522 3.153 11.659 163 HA ARG 21 HA ARG 21 -12.502 5.808 12.058 164 1HB ARG 21 HB2 ARG 21 -11.590 4.302 9.741 165 2HB ARG 21 HB1 ARG 21 -12.428 5.774 9.250 166 1HG ARG 21 HG2 ARG 21 -10.444 5.949 11.484 167 2HG ARG 21 HG1 ARG 21 -9.839 5.822 9.832 168 1HD ARG 21 HD2 ARG 21 -11.464 7.742 9.262 169 2HD ARG 21 HD1 ARG 21 -11.588 7.988 11.016 170 HE ARG 21 HE ARG 21 -8.839 7.741 10.435 171 1HH1 ARG 21 HH21 ARG 21 -11.519 9.834 9.851 172 2HH1 ARG 21 HH22 ARG 21 -10.536 11.233 9.579 173 1HH2 ARG 21 HH11 ARG 21 -7.539 9.539 10.000 174 2HH2 ARG 21 HH12 ARG 21 -8.283 11.066 9.661 175 H ARG 22 HN ARG 22 -13.707 7.041 9.773 176 HA ARG 22 HA ARG 22 -16.555 6.682 10.467 177 1HB ARG 22 HB2 ARG 22 -14.793 8.665 9.117 178 2HB ARG 22 HB1 ARG 22 -16.479 8.637 8.600 179 1HG ARG 22 HG2 ARG 22 -16.205 8.477 11.507 180 2HG ARG 22 HG1 ARG 22 -15.497 9.950 10.842 181 1HD ARG 22 HD2 ARG 22 -17.635 10.347 9.577 182 2HD ARG 22 HD1 ARG 22 -18.340 8.960 10.434 183 HE ARG 22 HE ARG 22 -17.673 10.223 12.574 184 1HH1 ARG 22 HH21 ARG 22 -19.296 11.456 9.894 185 2HH1 ARG 22 HH22 ARG 22 -19.305 13.100 10.440 186 1HH2 ARG 22 HH11 ARG 22 -17.244 12.481 13.161 187 2HH2 ARG 22 HH12 ARG 22 -18.144 13.680 12.294 188 H LYS 23 HN LYS 23 -15.386 7.473 7.229 189 HA LYS 23 HA LYS 23 -16.971 5.159 6.177 190 1HB LYS 23 HB2 LYS 23 -16.950 7.940 5.664 191 2HB LYS 23 HB1 LYS 23 -16.249 7.177 4.235 192 1HG LYS 23 HG2 LYS 23 -18.750 6.048 5.466 193 2HG LYS 23 HG1 LYS 23 -18.849 7.436 4.382 194 1HD LYS 23 HD2 LYS 23 -17.517 4.796 3.709 195 2HD LYS 23 HD1 LYS 23 -19.116 5.293 3.157 196 1HE LYS 23 HE2 LYS 23 -18.173 6.418 1.434 197 2HE LYS 23 HE1 LYS 23 -17.242 7.404 2.579 198 1HZ LYS 23 HZ1 LYS 23 -15.831 6.025 1.095 199 2HZ LYS 23 HZ2 LYS 23 -16.516 4.634 1.791 200 3HZ LYS 23 HZ3 LYS 23 -15.596 5.699 2.744 201 H ALA 24 HN ALA 24 -13.825 6.049 6.774 202 HA ALA 24 HA ALA 24 -11.795 5.051 6.071 203 1HB ALA 24 HB1 ALA 24 -12.127 2.908 5.418 204 2HB ALA 24 HB2 ALA 24 -12.948 3.418 3.943 205 3HB ALA 24 HB3 ALA 24 -13.853 3.268 5.449 206 H SER 25 HN SER 25 -11.668 7.372 5.120 207 HA SER 25 HA SER 25 -10.863 8.699 3.333 208 1HB SER 25 HB2 SER 25 -9.738 6.354 3.007 209 2HB SER 25 HB1 SER 25 -10.866 6.194 1.664 210 HG SER 25 HG SER 25 -8.825 7.143 1.089 211 H TRP 26 HN TRP 26 -11.500 9.388 1.060 212 HA TRP 26 HA TRP 26 -13.170 10.036 -0.471 213 1HB TRP 26 HB2 TRP 26 -13.712 7.166 0.217 214 2HB TRP 26 HB1 TRP 26 -14.861 8.029 -0.808 215 HD1 TRP 26 HD1 TRP 26 -12.215 5.799 -1.335 216 HE1 TRP 26 HE1 TRP 26 -10.881 6.272 -3.491 217 HE3 TRP 26 HE3 TRP 26 -13.722 10.584 -2.269 218 HZ2 TRP 26 HZ2 TRP 26 -10.505 8.402 -5.365 219 HZ3 TRP 26 HZ3 TRP 26 -12.863 11.813 -4.240 220 HH2 TRP 26 HH2 TRP 26 -11.258 10.730 -5.789 221 H LYS 27 HN LYS 27 -15.698 10.273 -0.618 222 HA LYS 27 HA LYS 27 -17.170 10.179 1.906 223 1HB LYS 27 HB2 LYS 27 -17.325 12.833 1.734 224 2HB LYS 27 HB1 LYS 27 -15.995 12.059 2.592 225 1HG LYS 27 HG2 LYS 27 -14.453 12.607 0.978 226 2HG LYS 27 HG1 LYS 27 -15.625 12.481 -0.333 227 1HD LYS 27 HD2 LYS 27 -15.321 14.783 -0.251 228 2HD LYS 27 HD1 LYS 27 -16.692 14.597 0.844 229 1HE LYS 27 HE2 LYS 27 -14.395 14.176 2.436 230 2HE LYS 27 HE1 LYS 27 -14.046 15.601 1.438 231 1HZ LYS 27 HZ1 LYS 27 -16.285 15.149 3.300 232 2HZ LYS 27 HZ2 LYS 27 -16.481 16.211 1.989 233 3HZ LYS 27 HZ3 LYS 27 -15.278 16.505 3.153 234 H ASP 28 HN ASP 28 -17.449 12.742 -0.527 235 HA ASP 28 HA ASP 28 -20.228 12.305 -0.990 236 1HB ASP 28 HB2 ASP 28 -18.135 14.083 -1.731 237 2HB ASP 28 HB1 ASP 28 -18.927 13.564 -3.219 238 HA PRO 29 HA PRO 29 -18.920 10.136 -5.046 239 1HB PRO 29 HB2 PRO 29 -16.324 9.300 -5.281 240 2HB PRO 29 HB1 PRO 29 -16.884 10.896 -5.815 241 1HG PRO 29 HG2 PRO 29 -15.401 10.136 -3.359 242 2HG PRO 29 HG1 PRO 29 -15.274 11.595 -4.353 243 1HD PRO 29 HD2 PRO 29 -16.602 11.464 -1.957 244 2HD PRO 29 HD1 PRO 29 -16.945 12.658 -3.226 245 H GLU 30 HN GLU 30 -20.021 8.278 -4.541 246 HA GLU 30 HA GLU 30 -18.794 5.809 -4.034 247 1HB GLU 30 HB2 GLU 30 -19.515 5.678 -1.511 248 2HB GLU 30 HB1 GLU 30 -17.996 6.466 -1.929 249 1HG GLU 30 HG2 GLU 30 -18.719 8.430 -1.103 250 2HG GLU 30 HG1 GLU 30 -20.181 8.361 -2.083 251 H GLY 31 HN GLY 31 -21.619 7.774 -3.082 252 1HA GLY 31 HA2 GLY 31 -23.883 7.364 -3.677 253 2HA GLY 31 HA1 GLY 31 -23.395 5.810 -4.355 254 H LYS 32 HN LYS 32 -23.625 3.986 -3.094 255 HA LYS 32 HA LYS 32 -25.128 4.221 -0.603 256 1HB LYS 32 HB2 LYS 32 -24.896 2.398 -2.621 257 2HB LYS 32 HB1 LYS 32 -23.883 1.650 -1.385 258 1HG LYS 32 HG2 LYS 32 -25.648 1.248 0.011 259 2HG LYS 32 HG1 LYS 32 -26.475 2.739 -0.440 260 1HD LYS 32 HD2 LYS 32 -26.871 1.593 -2.727 261 2HD LYS 32 HD1 LYS 32 -26.447 0.097 -1.894 262 1HE LYS 32 HE2 LYS 32 -28.652 0.018 -1.310 263 2HE LYS 32 HE1 LYS 32 -28.249 1.297 -0.147 264 1HZ LYS 32 HZ1 LYS 32 -28.458 2.821 -2.205 265 2HZ LYS 32 HZ2 LYS 32 -29.873 2.302 -1.421 266 3HZ LYS 32 HZ3 LYS 32 -29.372 1.551 -2.861 267 H ILE 33 HN ILE 33 -24.377 3.585 1.485 268 HA ILE 33 HA ILE 33 -21.433 3.850 1.849 269 HB ILE 33 HB ILE 33 -22.097 4.327 4.180 270 1HG1 ILE 33 HG12 ILE 33 -24.964 4.413 3.742 271 2HG1 ILE 33 HG11 ILE 33 -24.346 2.782 3.479 272 1HG2 ILE 33 HG21 ILE 33 -24.086 5.814 2.491 273 2HG2 ILE 33 HG22 ILE 33 -22.364 6.000 2.160 274 3HG2 ILE 33 HG23 ILE 33 -23.009 6.429 3.744 275 1HD1 ILE 33 HD11 ILE 33 -24.071 4.494 5.956 276 2HD1 ILE 33 HD12 ILE 33 -23.081 3.059 5.685 277 3HD1 ILE 33 HD13 ILE 33 -24.834 2.911 5.811 278 H ILE 34 HN ILE 34 -21.964 1.374 0.806 279 HA ILE 34 HA ILE 34 -22.429 -0.571 2.975 280 HB ILE 34 HB ILE 34 -21.651 -0.880 0.057 281 1HG1 ILE 34 HG12 ILE 34 -23.787 0.303 0.326 282 2HG1 ILE 34 HG11 ILE 34 -24.077 -1.336 -0.257 283 1HG2 ILE 34 HG21 ILE 34 -21.183 -2.959 1.029 284 2HG2 ILE 34 HG22 ILE 34 -22.868 -3.153 0.547 285 3HG2 ILE 34 HG23 ILE 34 -22.468 -2.797 2.227 286 1HD1 ILE 34 HD11 ILE 34 -24.180 -1.823 2.381 287 2HD1 ILE 34 HD12 ILE 34 -25.601 -1.321 1.466 288 3HD1 ILE 34 HD13 ILE 34 -24.690 -0.135 2.400 289 H LEU 35 HN LEU 35 -20.785 -1.453 4.170 290 HA LEU 35 HA LEU 35 -17.972 -1.030 3.223 291 1HB LEU 35 HB2 LEU 35 -19.227 -0.248 5.527 292 2HB LEU 35 HB1 LEU 35 -18.534 -1.791 6.028 293 HG LEU 35 HG LEU 35 -17.025 0.520 4.770 294 1HD1 LEU 35 HD11 LEU 35 -17.388 1.082 7.033 295 2HD1 LEU 35 HD12 LEU 35 -15.812 0.291 7.057 296 3HD1 LEU 35 HD13 LEU 35 -17.250 -0.595 7.563 297 1HD2 LEU 35 HD21 LEU 35 -16.230 -2.295 5.534 298 2HD2 LEU 35 HD22 LEU 35 -15.042 -0.995 5.432 299 3HD2 LEU 35 HD23 LEU 35 -15.963 -1.462 4.002 300 H THR 36 HN THR 36 -16.684 -2.842 2.929 301 HA THR 36 HA THR 36 -17.645 -5.469 3.983 302 HB THR 36 HB THR 36 -18.416 -4.975 1.605 303 HG1 THR 36 HG1 THR 36 -17.642 -7.036 0.858 304 1HG2 THR 36 HG21 THR 36 -16.688 -5.156 -0.156 305 2HG2 THR 36 HG22 THR 36 -15.440 -5.208 1.088 306 3HG2 THR 36 HG23 THR 36 -16.413 -3.753 0.877 307 H THR 37 HN THR 37 -15.646 -6.934 2.512 308 HA THR 37 HA THR 37 -13.443 -7.690 2.988 309 HB THR 37 HB THR 37 -13.295 -4.787 2.165 310 HG1 THR 37 HG1 THR 37 -12.379 -7.045 0.767 311 1HG2 THR 37 HG21 THR 37 -11.049 -6.704 2.788 312 2HG2 THR 37 HG22 THR 37 -11.251 -5.040 3.337 313 3HG2 THR 37 HG23 THR 37 -10.841 -5.370 1.654 314 H THR 38 HN THR 38 -13.455 -8.150 5.251 315 HA THR 38 HA THR 38 -12.904 -5.926 7.142 316 HB THR 38 HB THR 38 -13.323 -7.732 8.812 317 HG1 THR 38 HG1 THR 38 -12.960 -9.663 8.107 318 1HG2 THR 38 HG21 THR 38 -15.540 -7.383 8.575 319 2HG2 THR 38 HG22 THR 38 -15.579 -8.221 7.024 320 3HG2 THR 38 HG23 THR 38 -15.133 -6.516 7.095 321 H ARG 39 HN ARG 39 -11.344 -7.100 9.047 322 HA ARG 39 HA ARG 39 -8.696 -6.899 8.094 323 1HB ARG 39 HB2 ARG 39 -9.707 -6.912 10.484 324 2HB ARG 39 HB1 ARG 39 -9.540 -8.666 10.393 325 1HG ARG 39 HG2 ARG 39 -7.236 -8.590 10.418 326 2HG ARG 39 HG1 ARG 39 -7.175 -7.021 9.616 327 1HD ARG 39 HD2 ARG 39 -7.390 -5.848 11.595 328 2HD ARG 39 HD1 ARG 39 -8.378 -7.112 12.355 329 HE ARG 39 HE ARG 39 -5.464 -7.008 12.358 330 1HH1 ARG 39 HH21 ARG 39 -7.852 -8.321 14.079 331 2HH1 ARG 39 HH22 ARG 39 -7.254 -9.946 14.124 332 1HH2 ARG 39 HH11 ARG 39 -4.851 -9.411 11.681 333 2HH2 ARG 39 HH12 ARG 39 -5.554 -10.562 12.768 334 H GLU 40 HN GLU 40 -10.474 -9.891 8.893 335 HA GLU 40 HA GLU 40 -8.540 -11.733 7.911 336 1HB GLU 40 HB2 GLU 40 -10.580 -12.114 9.367 337 2HB GLU 40 HB1 GLU 40 -11.562 -11.977 7.911 338 1HG GLU 40 HG2 GLU 40 -11.178 -14.318 8.225 339 2HG GLU 40 HG1 GLU 40 -10.106 -13.822 6.914 340 H ALA 41 HN ALA 41 -11.526 -10.544 6.337 341 HA ALA 41 HA ALA 41 -11.113 -11.719 3.788 342 1HB ALA 41 HB1 ALA 41 -12.360 -9.119 3.627 343 2HB ALA 41 HB2 ALA 41 -12.883 -9.934 5.101 344 3HB ALA 41 HB3 ALA 41 -13.122 -10.707 3.534 345 H ALA 42 HN ALA 42 -10.189 -8.493 4.983 346 HA ALA 42 HA ALA 42 -9.067 -7.350 2.707 347 1HB ALA 42 HB1 ALA 42 -7.958 -7.347 5.531 348 2HB ALA 42 HB2 ALA 42 -9.281 -6.328 4.965 349 3HB ALA 42 HB3 ALA 42 -7.659 -6.116 4.305 350 H VAL 43 HN VAL 43 -7.032 -8.986 5.135 351 HA VAL 43 HA VAL 43 -4.704 -9.307 3.662 352 HB VAL 43 HB VAL 43 -6.060 -11.281 5.530 353 1HG1 VAL 43 HG11 VAL 43 -4.262 -12.600 5.236 354 2HG1 VAL 43 HG12 VAL 43 -3.213 -11.274 5.741 355 3HG1 VAL 43 HG13 VAL 43 -3.625 -11.473 4.038 356 1HG2 VAL 43 HG21 VAL 43 -5.843 -9.375 6.830 357 2HG2 VAL 43 HG22 VAL 43 -4.477 -8.767 5.895 358 3HG2 VAL 43 HG23 VAL 43 -4.239 -10.071 7.058 359 H GLU 44 HN GLU 44 -7.637 -11.309 3.502 360 HA GLU 44 HA GLU 44 -6.614 -13.315 1.722 361 1HB GLU 44 HB2 GLU 44 -9.099 -12.470 2.937 362 2HB GLU 44 HB1 GLU 44 -9.375 -12.875 1.242 363 1HG GLU 44 HG2 GLU 44 -7.713 -14.913 2.057 364 2HG GLU 44 HG1 GLU 44 -8.691 -14.633 3.497 365 H GLN 45 HN GLN 45 -8.561 -10.390 1.078 366 HA GLN 45 HA GLN 45 -8.608 -10.514 -1.741 367 1HB GLN 45 HB2 GLN 45 -9.385 -8.780 0.283 368 2HB GLN 45 HB1 GLN 45 -8.189 -7.835 -0.605 369 1HG GLN 45 HG2 GLN 45 -10.267 -7.392 -1.685 370 2HG GLN 45 HG1 GLN 45 -9.430 -8.540 -2.732 371 1HE2 GLN 45 HE21 GLN 45 -12.367 -8.178 -2.516 372 2HE2 GLN 45 HE22 GLN 45 -12.993 -9.670 -2.002 373 H LEU 46 HN LEU 46 -6.086 -9.471 0.479 374 HA LEU 46 HA LEU 46 -4.324 -8.471 -1.652 375 1HB LEU 46 HB2 LEU 46 -4.524 -8.522 1.274 376 2HB LEU 46 HB1 LEU 46 -2.874 -8.775 0.704 377 HG LEU 46 HG LEU 46 -3.490 -6.756 -0.909 378 1HD1 LEU 46 HD11 LEU 46 -5.488 -5.824 -0.452 379 2HD1 LEU 46 HD12 LEU 46 -4.859 -5.360 1.129 380 3HD1 LEU 46 HD13 LEU 46 -5.715 -6.890 0.933 381 1HD2 LEU 46 HD21 LEU 46 -1.743 -6.940 0.974 382 2HD2 LEU 46 HD22 LEU 46 -2.945 -6.166 2.007 383 3HD2 LEU 46 HD23 LEU 46 -2.325 -5.320 0.589 384 H LYS 47 HN LYS 47 -4.691 -11.349 0.363 385 HA LYS 47 HA LYS 47 -2.281 -12.705 -0.092 386 1HB LYS 47 HB2 LYS 47 -5.170 -13.595 0.099 387 2HB LYS 47 HB1 LYS 47 -3.835 -14.746 0.070 388 1HG LYS 47 HG2 LYS 47 -3.359 -12.586 1.970 389 2HG LYS 47 HG1 LYS 47 -4.847 -13.461 2.330 390 1HD LYS 47 HD2 LYS 47 -3.701 -15.553 2.463 391 2HD LYS 47 HD1 LYS 47 -2.234 -14.872 1.758 392 1HE LYS 47 HE2 LYS 47 -2.410 -13.231 3.861 393 2HE LYS 47 HE1 LYS 47 -3.284 -14.614 4.548 394 1HZ LYS 47 HZ1 LYS 47 -1.410 -16.011 3.609 395 2HZ LYS 47 HZ2 LYS 47 -1.032 -15.059 4.965 396 3HZ LYS 47 HZ3 LYS 47 -0.549 -14.562 3.414 397 H SER 48 HN SER 48 -5.112 -12.391 -2.199 398 HA SER 48 HA SER 48 -3.972 -14.097 -4.301 399 1HB SER 48 HB2 SER 48 -6.487 -13.247 -3.500 400 2HB SER 48 HB1 SER 48 -6.208 -12.312 -4.966 401 HG SER 48 HG SER 48 -6.125 -15.125 -4.616 402 H ILE 49 HN ILE 49 -4.393 -10.617 -3.689 403 HA ILE 49 HA ILE 49 -3.586 -9.695 -6.264 404 HB ILE 49 HB ILE 49 -4.513 -8.585 -3.961 405 1HG1 ILE 49 HG12 ILE 49 -4.636 -7.638 -6.247 406 2HG1 ILE 49 HG11 ILE 49 -4.185 -6.414 -5.060 407 1HG2 ILE 49 HG21 ILE 49 -1.554 -7.940 -4.093 408 2HG2 ILE 49 HG22 ILE 49 -2.442 -8.627 -2.732 409 3HG2 ILE 49 HG23 ILE 49 -2.725 -6.957 -3.215 410 1HD1 ILE 49 HD11 ILE 49 -2.731 -7.252 -7.383 411 2HD1 ILE 49 HD12 ILE 49 -1.784 -7.657 -5.952 412 3HD1 ILE 49 HD13 ILE 49 -2.308 -5.994 -6.221 413 H ARG 50 HN ARG 50 -1.660 -10.221 -3.299 414 HA ARG 50 HA ARG 50 0.891 -9.619 -4.448 415 1HB ARG 50 HB2 ARG 50 1.697 -11.030 -2.518 416 2HB ARG 50 HB1 ARG 50 0.509 -9.816 -2.039 417 1HG ARG 50 HG2 ARG 50 -0.509 -11.594 -1.033 418 2HG ARG 50 HG1 ARG 50 -1.137 -11.890 -2.653 419 1HD ARG 50 HD2 ARG 50 0.463 -13.579 -3.096 420 2HD ARG 50 HD1 ARG 50 1.517 -13.044 -1.772 421 HE ARG 50 HE ARG 50 -1.222 -14.057 -1.151 422 1HH1 ARG 50 HH21 ARG 50 0.732 -16.264 -1.627 423 2HH1 ARG 50 HH22 ARG 50 1.386 -16.526 -0.044 424 1HH2 ARG 50 HH11 ARG 50 0.248 -13.502 1.214 425 2HH2 ARG 50 HH12 ARG 50 1.112 -14.962 1.563 426 H GLU 51 HN GLU 51 -1.151 -12.473 -4.411 427 HA GLU 51 HA GLU 51 0.743 -14.348 -5.537 428 1HB GLU 51 HB2 GLU 51 -1.122 -15.251 -4.429 429 2HB GLU 51 HB1 GLU 51 -2.228 -14.083 -5.130 430 1HG GLU 51 HG2 GLU 51 -2.366 -16.490 -6.020 431 2HG GLU 51 HG1 GLU 51 -2.263 -15.200 -7.216 432 H ASP 52 HN ASP 52 -2.148 -12.849 -6.984 433 HA ASP 52 HA ASP 52 -1.636 -13.441 -9.682 434 1HB ASP 52 HB2 ASP 52 -3.538 -12.102 -8.334 435 2HB ASP 52 HB1 ASP 52 -2.644 -10.715 -8.958 436 H ILE 53 HN ILE 53 -0.488 -10.642 -7.771 437 HA ILE 53 HA ILE 53 1.096 -9.505 -9.912 438 HB ILE 53 HB ILE 53 1.057 -9.271 -6.891 439 1HG1 ILE 53 HG12 ILE 53 0.094 -7.576 -9.209 440 2HG1 ILE 53 HG11 ILE 53 -0.867 -8.269 -7.903 441 1HG2 ILE 53 HG21 ILE 53 2.543 -7.284 -7.220 442 2HG2 ILE 53 HG22 ILE 53 2.742 -7.753 -8.908 443 3HG2 ILE 53 HG23 ILE 53 3.339 -8.805 -7.624 444 1HD1 ILE 53 HD11 ILE 53 1.271 -6.147 -7.546 445 2HD1 ILE 53 HD12 ILE 53 0.239 -6.808 -6.276 446 3HD1 ILE 53 HD13 ILE 53 -0.466 -5.839 -7.571 447 H VAL 54 HN VAL 54 1.593 -11.963 -7.457 448 HA VAL 54 HA VAL 54 4.444 -12.162 -7.590 449 HB VAL 54 HB VAL 54 2.119 -13.654 -6.582 450 1HG1 VAL 54 HG11 VAL 54 3.482 -15.769 -6.239 451 2HG1 VAL 54 HG12 VAL 54 4.591 -15.158 -7.467 452 3HG1 VAL 54 HG13 VAL 54 2.913 -15.504 -7.887 453 1HG2 VAL 54 HG21 VAL 54 4.034 -12.229 -5.441 454 2HG2 VAL 54 HG22 VAL 54 4.869 -13.782 -5.424 455 3HG2 VAL 54 HG23 VAL 54 3.316 -13.607 -4.608 456 H SER 55 HN SER 55 1.860 -13.880 -9.362 457 HA SER 55 HA SER 55 3.906 -14.945 -11.248 458 1HB SER 55 HB2 SER 55 1.176 -15.623 -11.862 459 2HB SER 55 HB1 SER 55 2.484 -16.680 -11.350 460 HG SER 55 HG SER 55 1.303 -16.828 -9.600 461 H GLY 56 HN GLY 56 4.078 -14.114 -13.308 462 1HA GLY 56 HA2 GLY 56 3.611 -12.808 -15.199 463 2HA GLY 56 HA1 GLY 56 1.945 -12.679 -14.618 464 H LYS 57 HN LYS 57 4.858 -11.013 -14.980 465 HA LYS 57 HA LYS 57 4.762 -9.186 -12.771 466 1HB LYS 57 HB2 LYS 57 6.698 -9.595 -14.269 467 2HB LYS 57 HB1 LYS 57 5.815 -8.844 -15.599 468 1HG LYS 57 HG2 LYS 57 6.974 -6.994 -14.869 469 2HG LYS 57 HG1 LYS 57 5.578 -6.870 -13.797 470 1HD LYS 57 HD2 LYS 57 6.759 -7.923 -11.994 471 2HD LYS 57 HD1 LYS 57 8.089 -8.387 -13.056 472 1HE LYS 57 HE2 LYS 57 7.522 -5.487 -13.052 473 2HE LYS 57 HE1 LYS 57 8.105 -6.126 -11.502 474 1HZ LYS 57 HZ1 LYS 57 9.889 -7.259 -12.681 475 2HZ LYS 57 HZ2 LYS 57 9.961 -5.584 -12.958 476 3HZ LYS 57 HZ3 LYS 57 9.348 -6.621 -14.157 477 H ALA 58 HN ALA 58 2.123 -9.321 -13.422 478 HA ALA 58 HA ALA 58 0.954 -7.682 -15.331 479 1HB ALA 58 HB1 ALA 58 -0.563 -7.238 -13.112 480 2HB ALA 58 HB2 ALA 58 0.416 -8.599 -12.564 481 3HB ALA 58 HB3 ALA 58 -0.579 -8.756 -14.012 482 H ASN 59 HN ASN 59 -0.065 -5.438 -14.848 483 HA ASN 59 HA ASN 59 2.010 -3.500 -14.414 484 1HB ASN 59 HB2 ASN 59 -0.993 -3.115 -14.271 485 2HB ASN 59 HB1 ASN 59 0.215 -1.934 -14.776 486 1HD2 ASN 59 HD21 ASN 59 -1.823 -4.506 -15.881 487 2HD2 ASN 59 HD22 ASN 59 -1.235 -4.575 -17.472 488 H PHE 60 HN PHE 60 0.610 -1.582 -12.797 489 HA PHE 60 HA PHE 60 -0.055 -2.653 -10.193 490 1HB PHE 60 HB2 PHE 60 2.358 -3.224 -10.356 491 2HB PHE 60 HB1 PHE 60 2.730 -1.520 -10.617 492 HD1 PHE 60 HD1 PHE 60 1.668 0.127 -8.793 493 HD2 PHE 60 HD2 PHE 60 2.479 -4.048 -8.177 494 HE1 PHE 60 HE1 PHE 60 1.698 0.493 -6.343 495 HE2 PHE 60 HE2 PHE 60 2.507 -3.678 -5.726 496 HZ PHE 60 HZ PHE 60 2.117 -1.408 -4.809 497 H GLU 61 HN GLU 61 1.158 0.063 -12.108 498 HA GLU 61 HA GLU 61 0.514 2.145 -10.227 499 1HB GLU 61 HB2 GLU 61 0.728 2.155 -13.256 500 2HB GLU 61 HB1 GLU 61 0.845 3.571 -12.213 501 1HG GLU 61 HG2 GLU 61 2.859 2.738 -11.181 502 2HG GLU 61 HG1 GLU 61 2.688 1.180 -11.991 503 H GLU 62 HN GLU 62 -1.090 1.790 -13.393 504 HA GLU 62 HA GLU 62 -3.428 3.165 -12.960 505 1HB GLU 62 HB2 GLU 62 -2.466 1.555 -14.883 506 2HB GLU 62 HB1 GLU 62 -3.669 0.459 -14.204 507 1HG GLU 62 HG2 GLU 62 -5.351 1.603 -15.167 508 2HG GLU 62 HG1 GLU 62 -4.770 3.123 -14.488 509 H VAL 63 HN VAL 63 -2.905 -0.261 -12.048 510 HA VAL 63 HA VAL 63 -5.426 -0.823 -10.926 511 HB VAL 63 HB VAL 63 -2.672 -1.652 -9.954 512 1HG1 VAL 63 HG11 VAL 63 -5.460 -2.678 -9.512 513 2HG1 VAL 63 HG12 VAL 63 -4.146 -2.488 -8.350 514 3HG1 VAL 63 HG13 VAL 63 -4.108 -3.811 -9.515 515 1HG2 VAL 63 HG21 VAL 63 -2.510 -3.063 -11.739 516 2HG2 VAL 63 HG22 VAL 63 -3.632 -1.932 -12.495 517 3HG2 VAL 63 HG23 VAL 63 -4.239 -3.408 -11.745 518 H ALA 64 HN ALA 64 -2.578 0.671 -9.407 519 HA ALA 64 HA ALA 64 -3.698 1.000 -6.789 520 1HB ALA 64 HB1 ALA 64 -1.281 1.142 -7.585 521 2HB ALA 64 HB2 ALA 64 -1.775 2.411 -6.464 522 3HB ALA 64 HB3 ALA 64 -1.663 2.753 -8.191 523 H THR 65 HN THR 65 -3.351 3.340 -9.475 524 HA THR 65 HA THR 65 -4.479 5.633 -8.488 525 HB THR 65 HB THR 65 -5.709 5.121 -11.014 526 HG1 THR 65 HG1 THR 65 -3.019 4.341 -11.071 527 1HG2 THR 65 HG21 THR 65 -3.735 6.568 -11.769 528 2HG2 THR 65 HG22 THR 65 -3.219 6.548 -10.083 529 3HG2 THR 65 HG23 THR 65 -4.776 7.250 -10.521 530 H ARG 66 HN ARG 66 -6.239 2.662 -9.298 531 HA ARG 66 HA ARG 66 -8.844 3.929 -8.690 532 1HB ARG 66 HB2 ARG 66 -8.808 2.439 -10.550 533 2HB ARG 66 HB1 ARG 66 -7.890 1.229 -9.654 534 1HG ARG 66 HG2 ARG 66 -9.740 0.422 -8.581 535 2HG ARG 66 HG1 ARG 66 -10.491 2.013 -8.465 536 1HD ARG 66 HD2 ARG 66 -10.306 1.240 -11.245 537 2HD ARG 66 HD1 ARG 66 -11.136 -0.025 -10.316 538 HE ARG 66 HE ARG 66 -12.799 1.588 -9.659 539 1HH1 ARG 66 HH21 ARG 66 -10.960 3.952 -9.344 540 2HH1 ARG 66 HH22 ARG 66 -11.465 4.968 -10.653 541 1HH2 ARG 66 HH11 ARG 66 -13.151 2.441 -12.318 542 2HH2 ARG 66 HH12 ARG 66 -12.702 4.113 -12.336 543 H VAL 67 HN VAL 67 -7.063 1.058 -7.546 544 HA VAL 67 HA VAL 67 -8.599 1.094 -5.006 545 HB VAL 67 HB VAL 67 -8.413 -1.005 -6.218 546 1HG1 VAL 67 HG11 VAL 67 -5.766 -1.773 -6.155 547 2HG1 VAL 67 HG12 VAL 67 -5.651 -0.063 -6.570 548 3HG1 VAL 67 HG13 VAL 67 -6.605 -1.153 -7.576 549 1HG2 VAL 67 HG21 VAL 67 -6.345 -1.362 -4.076 550 2HG2 VAL 67 HG22 VAL 67 -7.757 -2.354 -4.442 551 3HG2 VAL 67 HG23 VAL 67 -7.955 -0.809 -3.614 552 H SER 68 HN SER 68 -7.239 3.236 -4.679 553 HA SER 68 HA SER 68 -4.704 2.505 -3.238 554 1HB SER 68 HB2 SER 68 -4.078 4.903 -4.096 555 2HB SER 68 HB1 SER 68 -4.008 3.551 -5.223 556 HG SER 68 HG SER 68 -5.864 4.193 -6.132 557 H ASP 69 HN ASP 69 -4.041 4.542 -1.841 558 HA ASP 69 HA ASP 69 -6.185 5.084 0.053 559 1HB ASP 69 HB2 ASP 69 -3.709 4.741 0.512 560 2HB ASP 69 HB1 ASP 69 -3.444 6.344 -0.175 561 H CYS 70 HN CYS 70 -7.520 6.099 -1.810 562 HA CYS 70 HA CYS 70 -8.312 8.008 -2.956 563 1HB CYS 70 HB2 CYS 70 -9.094 8.387 -0.717 564 2HB CYS 70 HB1 CYS 70 -7.498 8.917 -0.185 565 HG CYS 70 HG CYS 70 -9.492 10.807 -1.107 566 H SER 71 HN SER 71 -6.109 9.994 -1.074 567 HA SER 71 HA SER 71 -5.073 11.554 -3.136 568 1HB SER 71 HB2 SER 71 -4.728 11.751 -0.649 569 2HB SER 71 HB1 SER 71 -3.582 10.425 -0.745 570 HG SER 71 HG SER 71 -3.269 12.602 -2.474 571 H SER 72 HN SER 72 -3.872 8.467 -1.894 572 HA SER 72 HA SER 72 -1.623 8.113 -3.590 573 1HB SER 72 HB2 SER 72 -3.603 6.303 -2.209 574 2HB SER 72 HB1 SER 72 -2.328 5.613 -3.209 575 HG SER 72 HG SER 72 -1.008 7.238 -1.837 576 H ALA 73 HN ALA 73 -5.097 7.614 -4.221 577 HA ALA 73 HA ALA 73 -4.922 6.183 -6.664 578 1HB ALA 73 HB1 ALA 73 -7.022 6.822 -5.482 579 2HB ALA 73 HB2 ALA 73 -7.066 7.319 -7.173 580 3HB ALA 73 HB3 ALA 73 -6.736 8.508 -5.914 581 H LYS 74 HN LYS 74 -4.380 9.570 -5.879 582 HA LYS 74 HA LYS 74 -3.911 10.485 -8.605 583 1HB LYS 74 HB2 LYS 74 -4.521 11.871 -6.585 584 2HB LYS 74 HB1 LYS 74 -2.918 11.544 -5.929 585 1HG LYS 74 HG2 LYS 74 -1.897 12.998 -7.358 586 2HG LYS 74 HG1 LYS 74 -2.951 12.567 -8.706 587 1HD LYS 74 HD2 LYS 74 -4.784 13.883 -7.685 588 2HD LYS 74 HD1 LYS 74 -3.709 14.339 -6.363 589 1HE LYS 74 HE2 LYS 74 -3.608 16.172 -7.898 590 2HE LYS 74 HE1 LYS 74 -2.131 15.241 -8.217 591 1HZ LYS 74 HZ1 LYS 74 -2.930 15.217 -10.312 592 2HZ LYS 74 HZ2 LYS 74 -4.533 15.507 -9.831 593 3HZ LYS 74 HZ3 LYS 74 -3.885 13.939 -9.737 594 H ARG 75 HN ARG 75 -2.068 8.954 -6.089 595 HA ARG 75 HA ARG 75 0.400 8.877 -7.798 596 1HB ARG 75 HB2 ARG 75 -0.130 9.271 -4.853 597 2HB ARG 75 HB1 ARG 75 1.415 8.610 -5.381 598 1HG ARG 75 HG2 ARG 75 2.107 10.711 -5.775 599 2HG ARG 75 HG1 ARG 75 0.907 10.810 -7.062 600 1HD ARG 75 HD2 ARG 75 -0.606 11.974 -5.750 601 2HD ARG 75 HD1 ARG 75 -0.022 11.236 -4.246 602 HE ARG 75 HE ARG 75 1.901 12.974 -5.661 603 1HH1 ARG 75 HH21 ARG 75 1.991 12.211 -2.727 604 2HH1 ARG 75 HH22 ARG 75 1.483 13.685 -1.973 605 1HH2 ARG 75 HH11 ARG 75 0.185 15.038 -4.890 606 2HH2 ARG 75 HH12 ARG 75 0.460 15.285 -3.199 607 H GLY 76 HN GLY 76 -1.553 6.916 -8.148 608 1HA GLY 76 HA2 GLY 76 -1.415 4.707 -6.340 609 2HA GLY 76 HA1 GLY 76 -1.981 4.619 -8.006 610 H GLY 77 HN GLY 77 0.652 5.742 -8.933 611 1HA GLY 77 HA2 GLY 77 1.927 3.292 -9.555 612 2HA GLY 77 HA1 GLY 77 2.713 4.870 -9.646 613 H ASP 78 HN ASP 78 4.108 5.470 -8.035 614 HA ASP 78 HA ASP 78 4.259 3.772 -5.593 615 1HB ASP 78 HB2 ASP 78 6.698 3.488 -6.023 616 2HB ASP 78 HB1 ASP 78 5.717 2.784 -7.308 617 H LEU 79 HN LEU 79 6.401 4.770 -4.370 618 HA LEU 79 HA LEU 79 5.695 7.602 -3.880 619 1HB LEU 79 HB2 LEU 79 7.445 5.510 -2.557 620 2HB LEU 79 HB1 LEU 79 7.359 7.171 -1.975 621 HG LEU 79 HG LEU 79 4.896 6.925 -1.721 622 1HD1 LEU 79 HD11 LEU 79 5.551 4.200 -2.806 623 2HD1 LEU 79 HD12 LEU 79 4.209 5.267 -3.218 624 3HD1 LEU 79 HD13 LEU 79 4.197 4.384 -1.692 625 1HD2 LEU 79 HD21 LEU 79 6.855 6.082 -0.035 626 2HD2 LEU 79 HD22 LEU 79 5.932 4.590 -0.217 627 3HD2 LEU 79 HD23 LEU 79 5.140 6.050 0.374 628 H GLY 80 HN GLY 80 8.723 5.778 -4.187 629 1HA GLY 80 HA2 GLY 80 10.163 6.574 -6.189 630 2HA GLY 80 HA1 GLY 80 10.018 8.155 -5.421 631 H SER 81 HN SER 81 10.985 8.473 -3.359 632 HA SER 81 HA SER 81 12.704 6.322 -2.281 633 1HB SER 81 HB2 SER 81 14.694 7.288 -2.886 634 2HB SER 81 HB1 SER 81 13.698 7.842 -4.230 635 HG SER 81 HG SER 81 14.791 9.592 -3.319 636 H PHE 82 HN PHE 82 12.442 6.437 -0.103 637 HA PHE 82 HA PHE 82 12.544 9.064 1.260 638 1HB PHE 82 HB2 PHE 82 10.381 8.461 2.457 639 2HB PHE 82 HB1 PHE 82 10.201 8.864 0.753 640 HD1 PHE 82 HD1 PHE 82 10.375 6.820 -0.922 641 HD2 PHE 82 HD2 PHE 82 9.442 6.486 3.256 642 HE1 PHE 82 HE1 PHE 82 9.327 4.614 -1.335 643 HE2 PHE 82 HE2 PHE 82 8.388 4.281 2.843 644 HZ PHE 82 HZ PHE 82 8.331 3.345 0.545 645 H GLY 83 HN GLY 83 11.500 7.825 3.753 646 1HA GLY 83 HA2 GLY 83 12.279 5.617 4.881 647 2HA GLY 83 HA1 GLY 83 13.877 6.118 4.336 648 H ARG 84 HN ARG 84 14.449 8.445 5.032 649 HA ARG 84 HA ARG 84 14.317 8.607 7.914 650 1HB ARG 84 HB2 ARG 84 15.044 10.818 5.973 651 2HB ARG 84 HB1 ARG 84 15.694 10.541 7.587 652 1HG ARG 84 HG2 ARG 84 16.215 8.961 5.066 653 2HG ARG 84 HG1 ARG 84 17.383 9.742 6.128 654 1HD ARG 84 HD2 ARG 84 15.686 7.317 6.831 655 2HD ARG 84 HD1 ARG 84 17.436 7.327 6.538 656 HE ARG 84 HE ARG 84 16.115 8.759 8.811 657 1HH1 ARG 84 HH21 ARG 84 18.933 9.488 7.683 658 2HH1 ARG 84 HH22 ARG 84 19.935 8.686 8.846 659 1HH2 ARG 84 HH11 ARG 84 17.353 6.769 10.143 660 2HH2 ARG 84 HH12 ARG 84 19.040 7.148 10.241 661 H GLY 85 HN GLY 85 11.733 8.441 7.456 662 1HA GLY 85 HA2 GLY 85 10.131 10.070 8.624 663 2HA GLY 85 HA1 GLY 85 10.649 11.224 7.392 664 H GLN 86 HN GLN 86 8.094 10.993 7.183 665 HA GLN 86 HA GLN 86 6.362 10.403 5.670 666 1HB GLN 86 HB2 GLN 86 8.450 8.775 4.215 667 2HB GLN 86 HB1 GLN 86 7.059 9.616 3.540 668 1HG GLN 86 HG2 GLN 86 8.853 11.437 4.941 669 2HG GLN 86 HG1 GLN 86 9.662 10.548 3.653 670 1HE2 GLN 86 HE21 GLN 86 9.317 11.297 1.542 671 2HE2 GLN 86 HE22 GLN 86 8.103 12.397 1.098 672 H MET 87 HN MET 87 5.251 8.403 4.806 673 HA MET 87 HA MET 87 4.236 6.340 5.428 674 1HB MET 87 HB2 MET 87 7.111 6.162 4.727 675 2HB MET 87 HB1 MET 87 6.405 4.692 5.423 676 1HG MET 87 HG2 MET 87 6.185 4.730 2.949 677 2HG MET 87 HG1 MET 87 4.610 4.740 3.743 678 1HE MET 87 HE1 MET 87 7.249 6.725 1.686 679 2HE MET 87 HE2 MET 87 7.370 7.370 3.321 680 3HE MET 87 HE3 MET 87 6.789 8.400 2.014 681 H GLN 88 HN GLN 88 5.249 8.030 7.787 682 HA GLN 88 HA GLN 88 5.809 7.732 10.080 683 1HB GLN 88 HB2 GLN 88 3.477 6.240 9.150 684 2HB GLN 88 HB1 GLN 88 4.136 5.562 10.634 685 1HG GLN 88 HG2 GLN 88 3.443 8.479 10.213 686 2HG GLN 88 HG1 GLN 88 2.473 7.318 11.122 687 1HE2 GLN 88 HE21 GLN 88 3.472 6.396 13.124 688 2HE2 GLN 88 HE22 GLN 88 4.686 7.266 13.932 689 H LYS 89 HN LYS 89 5.654 5.151 11.510 690 HA LYS 89 HA LYS 89 8.318 4.123 10.728 691 1HB LYS 89 HB2 LYS 89 6.766 4.555 13.118 692 2HB LYS 89 HB1 LYS 89 7.354 2.892 13.074 693 1HG LYS 89 HG2 LYS 89 9.436 3.575 13.575 694 2HG LYS 89 HG1 LYS 89 9.443 4.660 12.183 695 1HD LYS 89 HD2 LYS 89 8.023 6.244 13.646 696 2HD LYS 89 HD1 LYS 89 8.539 5.242 15.004 697 1HE LYS 89 HE2 LYS 89 10.560 6.374 13.059 698 2HE LYS 89 HE1 LYS 89 10.001 7.309 14.461 699 1HZ LYS 89 HZ1 LYS 89 11.982 5.811 14.855 700 2HZ LYS 89 HZ2 LYS 89 10.914 4.500 14.687 701 3HZ LYS 89 HZ3 LYS 89 10.686 5.630 15.934 702 HA PRO 90 HA PRO 90 5.531 0.198 10.631 703 1HB PRO 90 HB2 PRO 90 3.155 0.501 9.316 704 2HB PRO 90 HB1 PRO 90 3.321 0.676 11.074 705 1HG PRO 90 HG2 PRO 90 3.083 2.760 8.982 706 2HG PRO 90 HG1 PRO 90 2.473 2.746 10.641 707 1HD PRO 90 HD2 PRO 90 4.723 4.095 9.791 708 2HD PRO 90 HD1 PRO 90 4.395 3.633 11.475 709 H PHE 91 HN PHE 91 4.295 2.032 7.802 710 HA PHE 91 HA PHE 91 4.884 0.205 5.808 711 1HB PHE 91 HB2 PHE 91 3.726 2.319 5.423 712 2HB PHE 91 HB1 PHE 91 5.191 3.225 5.804 713 HD1 PHE 91 HD1 PHE 91 7.345 2.480 4.348 714 HD2 PHE 91 HD2 PHE 91 3.245 1.927 3.174 715 HE1 PHE 91 HE1 PHE 91 8.050 2.275 2.011 716 HE2 PHE 91 HE2 PHE 91 3.963 1.743 0.805 717 HZ PHE 91 HZ PHE 91 6.366 1.922 0.222 718 H GLU 92 HN GLU 92 7.097 2.798 6.875 719 HA GLU 92 HA GLU 92 9.328 2.323 5.352 720 1HB GLU 92 HB2 GLU 92 8.834 3.875 7.419 721 2HB GLU 92 HB1 GLU 92 9.624 2.589 8.333 722 1HG GLU 92 HG2 GLU 92 11.149 3.177 5.954 723 2HG GLU 92 HG1 GLU 92 10.877 4.657 6.875 724 H GLU 93 HN GLU 93 8.980 0.739 8.547 725 HA GLU 93 HA GLU 93 11.044 -1.129 8.285 726 1HB GLU 93 HB2 GLU 93 10.062 -2.097 10.160 727 2HB GLU 93 HB1 GLU 93 9.241 -0.539 10.158 728 1HG GLU 93 HG2 GLU 93 7.390 -1.901 10.308 729 2HG GLU 93 HG1 GLU 93 7.558 -1.876 8.552 730 H ALA 94 HN ALA 94 7.966 -1.048 6.652 731 HA ALA 94 HA ALA 94 7.849 -3.823 5.846 732 1HB ALA 94 HB1 ALA 94 6.690 -1.709 4.115 733 2HB ALA 94 HB2 ALA 94 6.191 -1.655 5.805 734 3HB ALA 94 HB3 ALA 94 5.906 -3.108 4.848 735 H THR 95 HN THR 95 8.694 -0.881 4.001 736 HA THR 95 HA THR 95 9.758 -2.328 1.746 737 HB THR 95 HB THR 95 10.498 0.470 2.623 738 HG1 THR 95 HG1 THR 95 8.325 0.432 1.081 739 1HG2 THR 95 HG21 THR 95 11.452 -0.640 0.531 740 2HG2 THR 95 HG22 THR 95 10.640 0.905 0.281 741 3HG2 THR 95 HG23 THR 95 9.813 -0.601 -0.118 742 H TYR 96 HN TYR 96 11.092 -1.148 4.772 743 HA TYR 96 HA TYR 96 13.892 -1.546 4.044 744 1HB TYR 96 HB2 TYR 96 12.241 -0.826 6.421 745 2HB TYR 96 HB1 TYR 96 13.839 -1.495 6.749 746 HD1 TYR 96 HD1 TYR 96 11.988 1.414 5.715 747 HD2 TYR 96 HD2 TYR 96 15.860 -0.439 5.587 748 HE1 TYR 96 HE1 TYR 96 13.016 3.604 5.176 749 HE2 TYR 96 HE2 TYR 96 16.890 1.751 5.046 750 HH TYR 96 HH TYR 96 15.003 4.728 5.093 751 H ALA 97 HN ALA 97 11.311 -3.464 5.453 752 HA ALA 97 HA ALA 97 13.099 -5.630 6.332 753 1HB ALA 97 HB1 ALA 97 11.079 -5.035 7.583 754 2HB ALA 97 HB2 ALA 97 10.893 -6.662 6.927 755 3HB ALA 97 HB3 ALA 97 10.085 -5.300 6.150 756 H LEU 98 HN LEU 98 10.889 -4.938 3.648 757 HA LEU 98 HA LEU 98 11.251 -7.635 2.494 758 1HB LEU 98 HB2 LEU 98 9.156 -6.031 2.561 759 2HB LEU 98 HB1 LEU 98 9.919 -5.298 1.151 760 HG LEU 98 HG LEU 98 9.846 -8.242 1.079 761 1HD1 LEU 98 HD11 LEU 98 7.547 -8.562 0.909 762 2HD1 LEU 98 HD12 LEU 98 7.236 -6.868 0.531 763 3HD1 LEU 98 HD13 LEU 98 7.617 -7.347 2.185 764 1HD2 LEU 98 HD21 LEU 98 8.723 -7.430 -1.205 765 2HD2 LEU 98 HD22 LEU 98 10.464 -7.309 -0.949 766 3HD2 LEU 98 HD23 LEU 98 9.439 -5.891 -0.727 767 H LYS 99 HN LYS 99 12.729 -8.084 0.893 768 HA LYS 99 HA LYS 99 14.580 -5.955 0.029 769 1HB LYS 99 HB2 LYS 99 14.365 -8.943 -0.084 770 2HB LYS 99 HB1 LYS 99 15.454 -8.141 -1.216 771 1HG LYS 99 HG2 LYS 99 16.491 -6.944 0.743 772 2HG LYS 99 HG1 LYS 99 15.508 -7.951 1.808 773 1HD LYS 99 HD2 LYS 99 17.078 -9.556 1.676 774 2HD LYS 99 HD1 LYS 99 16.732 -9.706 -0.047 775 1HE LYS 99 HE2 LYS 99 18.645 -7.647 1.108 776 2HE LYS 99 HE1 LYS 99 19.153 -9.203 0.422 777 1HZ LYS 99 HZ1 LYS 99 17.465 -8.343 -1.453 778 2HZ LYS 99 HZ2 LYS 99 19.137 -8.051 -1.501 779 3HZ LYS 99 HZ3 LYS 99 18.081 -6.856 -0.916 780 H VAL 100 HN VAL 100 13.389 -8.583 -2.017 781 HA VAL 100 HA VAL 100 11.744 -6.917 -3.729 782 HB VAL 100 HB VAL 100 14.674 -7.203 -4.183 783 1HG1 VAL 100 HG11 VAL 100 12.627 -7.465 -6.400 784 2HG1 VAL 100 HG12 VAL 100 14.000 -8.520 -6.067 785 3HG1 VAL 100 HG13 VAL 100 14.270 -6.892 -6.690 786 1HG2 VAL 100 HG21 VAL 100 12.527 -5.195 -4.353 787 2HG2 VAL 100 HG22 VAL 100 13.724 -5.077 -5.641 788 3HG2 VAL 100 HG23 VAL 100 14.231 -4.985 -3.954 789 H GLY 101 HN GLY 101 10.258 -8.549 -4.028 790 1HA GLY 101 HA2 GLY 101 10.096 -10.466 -5.812 791 2HA GLY 101 HA1 GLY 101 11.252 -11.262 -4.743 792 H ASP 102 HN ASP 102 9.568 -9.560 -2.608 793 HA ASP 102 HA ASP 102 7.769 -11.837 -1.985 794 1HB ASP 102 HB2 ASP 102 8.809 -9.401 -0.524 795 2HB ASP 102 HB1 ASP 102 7.579 -10.453 0.173 796 H ILE 103 HN ILE 103 7.670 -8.381 -2.702 797 HA ILE 103 HA ILE 103 5.891 -7.036 -3.484 798 HB ILE 103 HB ILE 103 4.261 -9.587 -3.475 799 1HG1 ILE 103 HG12 ILE 103 6.402 -8.644 -5.400 800 2HG1 ILE 103 HG11 ILE 103 6.305 -10.199 -4.573 801 1HG2 ILE 103 HG21 ILE 103 2.823 -8.443 -4.811 802 2HG2 ILE 103 HG22 ILE 103 4.128 -7.658 -5.700 803 3HG2 ILE 103 HG23 ILE 103 3.604 -7.008 -4.147 804 1HD1 ILE 103 HD11 ILE 103 3.870 -9.921 -5.976 805 2HD1 ILE 103 HD12 ILE 103 5.202 -11.012 -6.358 806 3HD1 ILE 103 HD13 ILE 103 5.134 -9.413 -7.097 807 H SER 104 HN SER 104 6.236 -8.117 -0.548 808 HA SER 104 HA SER 104 5.103 -7.838 1.513 809 1HB SER 104 HB2 SER 104 4.995 -5.581 1.495 810 2HB SER 104 HB1 SER 104 4.804 -5.574 -0.255 811 HG SER 104 HG SER 104 2.743 -6.002 1.660 812 H ASP 105 HN ASP 105 3.755 -9.635 1.806 813 HA ASP 105 HA ASP 105 1.442 -10.315 0.332 814 1HB ASP 105 HB2 ASP 105 0.839 -11.446 2.595 815 2HB ASP 105 HB1 ASP 105 2.348 -11.916 1.815 816 H ILE 106 HN ILE 106 1.534 -8.599 3.475 817 HA ILE 106 HA ILE 106 -0.795 -6.967 2.616 818 HB ILE 106 HB ILE 106 -1.733 -7.575 5.001 819 1HG1 ILE 106 HG12 ILE 106 0.559 -9.102 5.071 820 2HG1 ILE 106 HG11 ILE 106 -0.856 -9.375 6.081 821 1HG2 ILE 106 HG21 ILE 106 -3.067 -8.085 3.141 822 2HG2 ILE 106 HG22 ILE 106 -2.819 -9.661 3.892 823 3HG2 ILE 106 HG23 ILE 106 -1.877 -9.203 2.473 824 1HD1 ILE 106 HD11 ILE 106 -0.654 -10.610 3.335 825 2HD1 ILE 106 HD12 ILE 106 -1.656 -11.111 4.696 826 3HD1 ILE 106 HD13 ILE 106 0.085 -11.387 4.736 827 H VAL 107 HN VAL 107 -0.760 -4.916 3.565 828 HA VAL 107 HA VAL 107 1.329 -4.442 5.669 829 HB VAL 107 HB VAL 107 0.574 -2.562 3.420 830 1HG1 VAL 107 HG11 VAL 107 1.848 -1.233 4.752 831 2HG1 VAL 107 HG12 VAL 107 3.200 -2.147 4.086 832 3HG1 VAL 107 HG13 VAL 107 2.510 -2.603 5.643 833 1HG2 VAL 107 HG21 VAL 107 2.800 -4.625 3.499 834 2HG2 VAL 107 HG22 VAL 107 2.586 -3.405 2.244 835 3HG2 VAL 107 HG23 VAL 107 1.385 -4.680 2.449 836 H ASP 108 HN ASP 108 -0.894 -4.771 6.917 837 HA ASP 108 HA ASP 108 -2.962 -2.826 6.831 838 1HB ASP 108 HB2 ASP 108 -3.178 -3.544 9.304 839 2HB ASP 108 HB1 ASP 108 -3.319 -4.797 8.069 840 H THR 109 HN THR 109 -2.533 -0.667 6.871 841 HA THR 109 HA THR 109 -1.054 0.423 9.218 842 HB THR 109 HB THR 109 -0.453 1.769 6.676 843 HG1 THR 109 HG1 THR 109 -0.334 -0.145 5.709 844 1HG2 THR 109 HG21 THR 109 1.773 1.787 7.572 845 2HG2 THR 109 HG22 THR 109 1.389 0.489 8.702 846 3HG2 THR 109 HG23 THR 109 0.672 2.086 8.916 847 H ASP 110 HN ASP 110 -1.126 3.117 8.320 848 HA ASP 110 HA ASP 110 -3.612 4.081 9.073 849 1HB ASP 110 HB2 ASP 110 -2.980 6.052 7.577 850 2HB ASP 110 HB1 ASP 110 -1.730 5.537 8.710 851 H SER 111 HN SER 111 -5.556 4.625 7.931 852 HA SER 111 HA SER 111 -7.180 4.469 6.211 853 1HB SER 111 HB2 SER 111 -5.017 3.398 4.415 854 2HB SER 111 HB1 SER 111 -6.382 4.427 4.000 855 HG SER 111 HG SER 111 -4.851 5.900 4.152 856 H GLY 112 HN GLY 112 -4.827 1.804 5.810 857 1HA GLY 112 HA2 GLY 112 -6.326 -0.270 6.909 858 2HA GLY 112 HA1 GLY 112 -6.909 -0.134 5.251 859 H VAL 113 HN VAL 113 -6.016 -2.242 4.790 860 HA VAL 113 HA VAL 113 -3.150 -2.733 5.070 861 HB VAL 113 HB VAL 113 -3.806 -4.797 3.743 862 1HG1 VAL 113 HG11 VAL 113 -4.560 -3.977 6.391 863 2HG1 VAL 113 HG12 VAL 113 -4.167 -5.597 5.815 864 3HG1 VAL 113 HG13 VAL 113 -5.829 -5.011 5.733 865 1HG2 VAL 113 HG21 VAL 113 -5.982 -5.096 2.989 866 2HG2 VAL 113 HG22 VAL 113 -5.782 -3.364 2.719 867 3HG2 VAL 113 HG23 VAL 113 -6.649 -3.940 4.143 868 H HIS 114 HN HIS 114 -1.585 -2.297 3.607 869 HA HIS 114 HA HIS 114 -2.418 -1.260 0.920 870 1HB HIS 114 HB2 HIS 114 -0.016 -0.765 2.708 871 2HB HIS 114 HB1 HIS 114 -0.162 -0.121 1.073 872 HD1 HIS 114 HD1 HIS 114 -1.766 1.848 0.702 873 HD2 HIS 114 HD2 HIS 114 -1.841 0.389 4.608 874 HE1 HIS 114 HE1 HIS 114 -3.066 3.535 2.071 875 H ILE 115 HN ILE 115 0.033 -1.421 -0.338 876 HA ILE 115 HA ILE 115 1.153 -4.126 -0.071 877 HB ILE 115 HB ILE 115 -0.223 -5.092 -1.593 878 1HG1 ILE 115 HG12 ILE 115 0.455 -2.925 -3.594 879 2HG1 ILE 115 HG11 ILE 115 1.550 -4.244 -3.207 880 1HG2 ILE 115 HG21 ILE 115 -2.014 -3.692 -2.764 881 2HG2 ILE 115 HG22 ILE 115 -1.374 -2.313 -1.869 882 3HG2 ILE 115 HG23 ILE 115 -2.048 -3.693 -1.001 883 1HD1 ILE 115 HD11 ILE 115 -0.995 -4.287 -4.732 884 2HD1 ILE 115 HD12 ILE 115 -0.711 -5.657 -3.657 885 3HD1 ILE 115 HD13 ILE 115 0.451 -5.278 -4.928 886 H ILE 116 HN ILE 116 3.243 -3.342 0.016 887 HA ILE 116 HA ILE 116 4.136 -1.120 -1.663 888 HB ILE 116 HB ILE 116 5.353 -2.996 0.359 889 1HG1 ILE 116 HG12 ILE 116 5.759 -0.289 0.991 890 2HG1 ILE 116 HG11 ILE 116 4.122 -0.369 0.340 891 1HG2 ILE 116 HG21 ILE 116 6.739 -0.925 -1.361 892 2HG2 ILE 116 HG22 ILE 116 7.164 -2.626 -1.172 893 3HG2 ILE 116 HG23 ILE 116 7.408 -1.502 0.165 894 1HD1 ILE 116 HD11 ILE 116 4.496 -2.628 2.043 895 2HD1 ILE 116 HD12 ILE 116 3.401 -1.264 2.271 896 3HD1 ILE 116 HD13 ILE 116 5.041 -1.196 2.917 897 H LYS 117 HN LYS 117 5.944 -1.291 -3.152 898 HA LYS 117 HA LYS 117 6.577 -3.979 -4.242 899 1HB LYS 117 HB2 LYS 117 4.583 -2.286 -5.297 900 2HB LYS 117 HB1 LYS 117 5.968 -2.107 -6.375 901 1HG LYS 117 HG2 LYS 117 5.084 -4.842 -5.477 902 2HG LYS 117 HG1 LYS 117 4.286 -4.044 -6.831 903 1HD LYS 117 HD2 LYS 117 7.286 -4.265 -6.715 904 2HD LYS 117 HD1 LYS 117 6.302 -5.576 -7.365 905 1HE LYS 117 HE2 LYS 117 5.197 -3.472 -8.684 906 2HE LYS 117 HE1 LYS 117 6.869 -2.899 -8.518 907 1HZ LYS 117 HZ1 LYS 117 5.939 -5.471 -9.667 908 2HZ LYS 117 HZ2 LYS 117 7.558 -5.186 -9.237 909 3HZ LYS 117 HZ3 LYS 117 6.820 -4.248 -10.446 910 H ARG 118 HN ARG 118 8.766 -3.982 -4.513 911 HA ARG 118 HA ARG 118 10.132 -1.362 -5.047 912 1HB ARG 118 HB2 ARG 118 10.353 -3.093 -2.914 913 2HB ARG 118 HB1 ARG 118 11.692 -3.602 -3.941 914 1HG ARG 118 HG2 ARG 118 12.092 -0.978 -4.121 915 2HG ARG 118 HG1 ARG 118 11.240 -0.982 -2.575 916 1HD ARG 118 HD2 ARG 118 12.866 -2.775 -1.794 917 2HD ARG 118 HD1 ARG 118 13.801 -2.456 -3.269 918 HE ARG 118 HE ARG 118 13.192 0.035 -2.004 919 1HH1 ARG 118 HH11 ARG 118 14.062 -1.807 0.293 920 2HH1 ARG 118 HH12 ARG 118 15.758 -1.464 0.356 921 1HH2 ARG 118 HH21 ARG 118 15.837 0.060 -2.757 922 2HH2 ARG 118 HH22 ARG 118 16.763 -0.407 -1.370 923 H THR 119 HN THR 119 12.614 -2.272 -5.775 924 HA THR 119 HA THR 119 12.556 -2.782 -8.488 925 HB THR 119 HB THR 119 14.636 -4.313 -7.084 926 HG1 THR 119 HG1 THR 119 14.491 -1.563 -6.496 927 1HG2 THR 119 HG21 THR 119 15.802 -2.095 -8.189 928 2HG2 THR 119 HG22 THR 119 14.338 -2.241 -9.161 929 3HG2 THR 119 HG23 THR 119 15.472 -3.588 -9.068 930 H ALA 120 HN ALA 120 12.604 -4.697 -9.800 931 HA ALA 120 HA ALA 120 12.548 -7.378 -8.806 932 1HB ALA 120 HB1 ALA 120 10.483 -6.706 -7.735 933 2HB ALA 120 HB2 ALA 120 10.055 -7.735 -9.102 934 3HB ALA 120 HB3 ALA 120 9.887 -5.984 -9.229 Start of MODEL 11 1 1H HIS 1 HT1 HIS 1 29.583 15.714 4.498 2 2H HIS 1 HT2 HIS 1 29.741 14.229 3.689 3 3H HIS 1 HT3 HIS 1 28.913 14.309 5.171 4 HA HIS 1 HA HIS 1 27.027 15.194 4.252 5 1HB HIS 1 HB2 HIS 1 27.299 16.509 2.055 6 2HB HIS 1 HB1 HIS 1 28.058 17.205 3.487 7 HD1 HIS 1 HD1 HIS 1 29.168 14.594 0.916 8 HD2 HIS 1 HD2 HIS 1 30.599 18.017 2.818 9 HE1 HIS 1 HE1 HIS 1 31.521 14.962 0.055 10 H MET 2 HN MET 2 27.963 12.553 3.952 11 HA MET 2 HA MET 2 26.378 11.570 1.792 12 1HB MET 2 HB2 MET 2 28.667 12.750 0.885 13 2HB MET 2 HB1 MET 2 29.215 11.085 1.081 14 1HG MET 2 HG2 MET 2 28.129 10.477 -0.792 15 2HG MET 2 HG1 MET 2 26.607 11.066 -0.122 16 1HE MET 2 HE1 MET 2 29.937 12.975 -2.208 17 2HE MET 2 HE2 MET 2 28.958 12.195 -3.448 18 3HE MET 2 HE3 MET 2 29.493 11.271 -2.047 19 H ALA 3 HN ALA 3 26.834 10.895 4.533 20 HA ALA 3 HA ALA 3 28.562 8.554 4.729 21 1HB ALA 3 HB1 ALA 3 28.034 8.734 6.965 22 2HB ALA 3 HB2 ALA 3 26.330 9.054 6.639 23 3HB ALA 3 HB3 ALA 3 27.520 10.343 6.460 24 H SER 4 HN SER 4 27.697 7.230 2.951 25 HA SER 4 HA SER 4 26.302 5.533 2.079 26 1HB SER 4 HB2 SER 4 26.666 5.241 4.848 27 2HB SER 4 HB1 SER 4 24.942 4.986 4.593 28 HG SER 4 HG SER 4 26.732 3.795 2.811 29 H ARG 5 HN ARG 5 23.689 4.783 2.999 30 HA ARG 5 HA ARG 5 22.144 7.246 2.265 31 1HB ARG 5 HB2 ARG 5 21.646 4.286 1.808 32 2HB ARG 5 HB1 ARG 5 20.525 5.566 1.340 33 1HG ARG 5 HG2 ARG 5 22.683 6.556 0.151 34 2HG ARG 5 HG1 ARG 5 23.197 4.870 0.184 35 1HD ARG 5 HD2 ARG 5 20.697 4.490 -0.726 36 2HD ARG 5 HD1 ARG 5 20.966 6.132 -1.346 37 HE ARG 5 HE ARG 5 23.194 5.157 -2.239 38 1HH1 ARG 5 HH21 ARG 5 20.114 4.108 -2.916 39 2HH1 ARG 5 HH22 ARG 5 20.577 2.586 -3.602 40 1HH2 ARG 5 HH11 ARG 5 23.894 2.852 -2.624 41 2HH2 ARG 5 HH12 ARG 5 22.717 1.876 -3.438 42 H ASP 6 HN ASP 6 19.641 6.579 2.957 43 HA ASP 6 HA ASP 6 19.435 5.307 5.576 44 1HB ASP 6 HB2 ASP 6 20.293 8.002 5.388 45 2HB ASP 6 HB1 ASP 6 18.623 8.050 5.957 46 H GLN 7 HN GLN 7 18.026 7.498 3.177 47 HA GLN 7 HA GLN 7 15.291 7.265 4.008 48 1HB GLN 7 HB2 GLN 7 16.793 8.637 2.125 49 2HB GLN 7 HB1 GLN 7 15.798 7.572 1.131 50 1HG GLN 7 HG2 GLN 7 13.830 8.577 1.776 51 2HG GLN 7 HG1 GLN 7 14.445 8.990 3.377 52 1HE2 GLN 7 HE21 GLN 7 16.357 10.703 3.259 53 2HE2 GLN 7 HE22 GLN 7 16.121 11.985 2.171 54 H VAL 8 HN VAL 8 13.620 6.155 2.533 55 HA VAL 8 HA VAL 8 14.633 3.552 1.462 56 HB VAL 8 HB VAL 8 13.907 3.048 3.677 57 1HG1 VAL 8 HG11 VAL 8 11.697 3.878 4.529 58 2HG1 VAL 8 HG12 VAL 8 11.548 4.853 3.066 59 3HG1 VAL 8 HG13 VAL 8 12.852 5.173 4.210 60 1HG2 VAL 8 HG21 VAL 8 12.862 1.683 1.775 61 2HG2 VAL 8 HG22 VAL 8 11.399 2.632 2.034 62 3HG2 VAL 8 HG23 VAL 8 12.026 1.611 3.327 63 H LYS 9 HN LYS 9 14.147 4.144 -0.713 64 HA LYS 9 HA LYS 9 11.678 5.434 -1.475 65 1HB LYS 9 HB2 LYS 9 13.734 3.794 -2.982 66 2HB LYS 9 HB1 LYS 9 12.419 4.679 -3.747 67 1HG LYS 9 HG2 LYS 9 13.552 6.554 -2.052 68 2HG LYS 9 HG1 LYS 9 14.945 5.689 -2.685 69 1HD LYS 9 HD2 LYS 9 12.925 7.371 -4.133 70 2HD LYS 9 HD1 LYS 9 14.673 7.344 -4.297 71 1HE LYS 9 HE2 LYS 9 12.734 5.249 -5.339 72 2HE LYS 9 HE1 LYS 9 13.712 6.371 -6.296 73 1HZ LYS 9 HZ1 LYS 9 14.947 4.377 -6.202 74 2HZ LYS 9 HZ2 LYS 9 14.673 4.183 -4.538 75 3HZ LYS 9 HZ3 LYS 9 15.692 5.423 -5.094 76 H ALA 10 HN ALA 10 9.882 4.383 -2.653 77 HA ALA 10 HA ALA 10 9.650 1.549 -2.980 78 1HB ALA 10 HB1 ALA 10 9.423 2.584 -0.280 79 2HB ALA 10 HB2 ALA 10 9.454 0.908 -0.825 80 3HB ALA 10 HB3 ALA 10 7.927 1.786 -0.765 81 H SER 11 HN SER 11 7.318 0.845 -3.154 82 HA SER 11 HA SER 11 5.543 3.121 -3.935 83 1HB SER 11 HB2 SER 11 4.956 1.923 -5.887 84 2HB SER 11 HB1 SER 11 6.676 1.576 -5.733 85 HG SER 11 HG SER 11 4.494 -0.029 -4.872 86 H HIS 12 HN HIS 12 3.103 2.057 -4.080 87 HA HIS 12 HA HIS 12 2.568 -0.187 -2.379 88 1HB HIS 12 HB2 HIS 12 3.072 0.669 -0.360 89 2HB HIS 12 HB1 HIS 12 3.468 2.216 -1.094 90 HD1 HIS 12 HD1 HIS 12 0.892 3.434 -1.867 91 HD2 HIS 12 HD2 HIS 12 1.214 1.148 1.604 92 HE1 HIS 12 HE1 HIS 12 -1.040 4.116 -0.378 93 H ILE 13 HN ILE 13 0.298 -0.311 -1.652 94 HA ILE 13 HA ILE 13 -1.600 1.534 -3.041 95 HB ILE 13 HB ILE 13 -1.462 -1.500 -3.208 96 1HG1 ILE 13 HG12 ILE 13 -1.046 0.772 -5.154 97 2HG1 ILE 13 HG11 ILE 13 0.008 -0.604 -4.832 98 1HG2 ILE 13 HG21 ILE 13 -3.501 -1.298 -4.616 99 2HG2 ILE 13 HG22 ILE 13 -3.576 0.417 -4.224 100 3HG2 ILE 13 HG23 ILE 13 -3.792 -0.789 -2.955 101 1HD1 ILE 13 HD11 ILE 13 -0.966 -1.265 -6.843 102 2HD1 ILE 13 HD12 ILE 13 -2.503 -0.485 -6.471 103 3HD1 ILE 13 HD13 ILE 13 -2.071 -2.002 -5.682 104 H LEU 14 HN LEU 14 -3.955 0.899 -2.179 105 HA LEU 14 HA LEU 14 -3.770 -0.085 0.642 106 1HB LEU 14 HB2 LEU 14 -3.635 2.324 0.735 107 2HB LEU 14 HB1 LEU 14 -4.983 2.493 -0.391 108 HG LEU 14 HG LEU 14 -6.195 0.995 1.493 109 1HD1 LEU 14 HD11 LEU 14 -4.015 1.028 2.817 110 2HD1 LEU 14 HD12 LEU 14 -5.459 1.526 3.697 111 3HD1 LEU 14 HD13 LEU 14 -4.326 2.740 3.103 112 1HD2 LEU 14 HD21 LEU 14 -7.417 2.893 1.902 113 2HD2 LEU 14 HD22 LEU 14 -6.471 3.515 0.550 114 3HD2 LEU 14 HD23 LEU 14 -5.984 3.875 2.206 115 H ILE 15 HN ILE 15 -5.401 -1.496 1.121 116 HA ILE 15 HA ILE 15 -7.746 -1.636 -0.742 117 HB ILE 15 HB ILE 15 -6.186 -3.607 0.924 118 1HG1 ILE 15 HG12 ILE 15 -7.291 -3.842 -1.885 119 2HG1 ILE 15 HG11 ILE 15 -5.735 -3.083 -1.543 120 1HG2 ILE 15 HG21 ILE 15 -8.057 -5.258 0.215 121 2HG2 ILE 15 HG22 ILE 15 -9.060 -3.820 0.024 122 3HG2 ILE 15 HG23 ILE 15 -8.371 -4.211 1.600 123 1HD1 ILE 15 HD11 ILE 15 -6.428 -5.913 -1.622 124 2HD1 ILE 15 HD12 ILE 15 -5.654 -5.470 -0.101 125 3HD1 ILE 15 HD13 ILE 15 -4.838 -5.152 -1.631 126 H LYS 16 HN LYS 16 -9.849 -1.644 0.193 127 HA LYS 16 HA LYS 16 -10.097 -0.349 2.800 128 1HB LYS 16 HB2 LYS 16 -12.415 -0.225 2.186 129 2HB LYS 16 HB1 LYS 16 -11.500 -0.016 0.692 130 1HG LYS 16 HG2 LYS 16 -11.733 -2.704 0.686 131 2HG LYS 16 HG1 LYS 16 -13.204 -2.291 1.567 132 1HD LYS 16 HD2 LYS 16 -14.172 -1.283 -0.246 133 2HD LYS 16 HD1 LYS 16 -12.635 -0.664 -0.851 134 1HE LYS 16 HE2 LYS 16 -12.088 -3.165 -1.369 135 2HE LYS 16 HE1 LYS 16 -13.843 -3.399 -1.240 136 1HZ LYS 16 HZ1 LYS 16 -13.331 -2.802 -3.489 137 2HZ LYS 16 HZ2 LYS 16 -12.427 -1.454 -2.986 138 3HZ LYS 16 HZ3 LYS 16 -14.111 -1.485 -2.762 139 H HIS 17 HN HIS 17 -11.465 -1.270 4.550 140 HA HIS 17 HA HIS 17 -12.216 -4.043 4.642 141 1HB HIS 17 HB2 HIS 17 -10.360 -4.969 5.842 142 2HB HIS 17 HB1 HIS 17 -9.653 -4.063 4.505 143 HD1 HIS 17 HD1 HIS 17 -10.496 -1.303 6.224 144 HD2 HIS 17 HD2 HIS 17 -7.863 -4.362 7.261 145 HE1 HIS 17 HE1 HIS 17 -8.926 -0.338 7.960 146 H GLN 18 HN GLN 18 -11.422 -4.353 7.479 147 HA GLN 18 HA GLN 18 -13.456 -2.522 8.661 148 1HB GLN 18 HB2 GLN 18 -12.305 -5.228 9.233 149 2HB GLN 18 HB1 GLN 18 -13.003 -4.317 10.572 150 1HG GLN 18 HG2 GLN 18 -14.664 -4.273 8.154 151 2HG GLN 18 HG1 GLN 18 -14.433 -5.894 8.811 152 1HE2 GLN 18 HE21 GLN 18 -16.996 -4.887 8.999 153 2HE2 GLN 18 HE22 GLN 18 -17.345 -4.433 10.597 154 H GLY 19 HN GLY 19 -11.810 -0.717 8.655 155 1HA GLY 19 HA2 GLY 19 -9.638 -1.054 10.656 156 2HA GLY 19 HA1 GLY 19 -9.787 0.293 9.527 157 H SER 20 HN SER 20 -10.314 2.157 10.560 158 HA SER 20 HA SER 20 -12.007 1.975 13.029 159 1HB SER 20 HB2 SER 20 -10.874 4.386 13.210 160 2HB SER 20 HB1 SER 20 -10.005 2.932 13.692 161 HG SER 20 HG SER 20 -9.899 4.245 11.173 162 H ARG 21 HN ARG 21 -11.483 3.833 10.027 163 HA ARG 21 HA ARG 21 -14.333 4.422 9.795 164 1HB ARG 21 HB2 ARG 21 -13.344 5.969 11.603 165 2HB ARG 21 HB1 ARG 21 -12.467 6.753 10.288 166 1HG ARG 21 HG2 ARG 21 -15.192 6.450 9.475 167 2HG ARG 21 HG1 ARG 21 -15.177 7.172 11.084 168 1HD ARG 21 HD2 ARG 21 -14.132 9.099 10.358 169 2HD ARG 21 HD1 ARG 21 -13.222 8.249 9.094 170 HE ARG 21 HE ARG 21 -15.027 8.674 7.638 171 1HH1 ARG 21 HH11 ARG 21 -15.863 9.660 10.770 172 2HH1 ARG 21 HH12 ARG 21 -17.571 9.669 10.485 173 1HH2 ARG 21 HH21 ARG 21 -17.320 8.272 7.322 174 2HH2 ARG 21 HH22 ARG 21 -18.396 8.883 8.534 175 H ARG 22 HN ARG 22 -14.800 5.477 7.737 176 HA ARG 22 HA ARG 22 -13.002 4.811 5.601 177 1HB ARG 22 HB2 ARG 22 -15.561 6.303 5.997 178 2HB ARG 22 HB1 ARG 22 -14.710 6.547 4.471 179 1HG ARG 22 HG2 ARG 22 -14.555 3.957 4.390 180 2HG ARG 22 HG1 ARG 22 -15.829 3.990 5.610 181 1HD ARG 22 HD2 ARG 22 -16.713 3.837 3.250 182 2HD ARG 22 HD1 ARG 22 -17.280 5.284 4.108 183 HE ARG 22 HE ARG 22 -14.979 5.299 2.187 184 1HH1 ARG 22 HH21 ARG 22 -16.616 7.171 4.436 185 2HH1 ARG 22 HH22 ARG 22 -16.913 8.506 3.374 186 1HH2 ARG 22 HH11 ARG 22 -15.795 6.849 0.542 187 2HH2 ARG 22 HH12 ARG 22 -16.448 8.325 1.171 188 H LYS 23 HN LYS 23 -12.987 7.079 3.956 189 HA LYS 23 HA LYS 23 -11.122 8.889 5.453 190 1HB LYS 23 HB2 LYS 23 -10.014 9.159 3.302 191 2HB LYS 23 HB1 LYS 23 -10.246 7.433 3.591 192 1HG LYS 23 HG2 LYS 23 -12.379 7.580 2.253 193 2HG LYS 23 HG1 LYS 23 -11.932 9.234 1.832 194 1HD LYS 23 HD2 LYS 23 -10.925 8.206 0.053 195 2HD LYS 23 HD1 LYS 23 -9.623 7.955 1.216 196 1HE LYS 23 HE2 LYS 23 -11.568 5.867 1.569 197 2HE LYS 23 HE1 LYS 23 -11.118 5.954 -0.146 198 1HZ LYS 23 HZ1 LYS 23 -9.046 6.206 1.930 199 2HZ LYS 23 HZ2 LYS 23 -8.894 5.677 0.323 200 3HZ LYS 23 HZ3 LYS 23 -9.598 4.663 1.491 201 H ALA 24 HN ALA 24 -11.065 10.863 3.368 202 HA ALA 24 HA ALA 24 -13.458 12.387 4.051 203 1HB ALA 24 HB1 ALA 24 -12.322 14.112 2.709 204 2HB ALA 24 HB2 ALA 24 -11.206 12.899 2.078 205 3HB ALA 24 HB3 ALA 24 -11.169 13.328 3.789 206 H SER 25 HN SER 25 -13.336 13.589 1.213 207 HA SER 25 HA SER 25 -15.044 11.507 -0.114 208 1HB SER 25 HB2 SER 25 -15.357 14.402 0.468 209 2HB SER 25 HB1 SER 25 -15.910 13.881 -1.121 210 HG SER 25 HG SER 25 -16.655 12.792 1.398 211 H TRP 26 HN TRP 26 -15.310 12.549 -2.588 212 HA TRP 26 HA TRP 26 -12.561 13.173 -3.594 213 1HB TRP 26 HB2 TRP 26 -13.593 10.662 -3.601 214 2HB TRP 26 HB1 TRP 26 -14.244 11.259 -5.127 215 HD1 TRP 26 HD1 TRP 26 -10.865 12.408 -3.766 216 HE1 TRP 26 HE1 TRP 26 -9.012 11.612 -5.371 217 HE3 TRP 26 HE3 TRP 26 -13.622 9.482 -6.913 218 HZ2 TRP 26 HZ2 TRP 26 -8.736 9.952 -7.684 219 HZ3 TRP 26 HZ3 TRP 26 -12.542 8.305 -8.806 220 HH2 TRP 26 HH2 TRP 26 -10.104 8.536 -9.197 221 H LYS 27 HN LYS 27 -15.973 12.714 -4.551 222 HA LYS 27 HA LYS 27 -16.309 15.367 -5.584 223 1HB LYS 27 HB2 LYS 27 -16.287 14.663 -8.034 224 2HB LYS 27 HB1 LYS 27 -14.706 14.709 -7.257 225 1HG LYS 27 HG2 LYS 27 -15.604 12.133 -6.727 226 2HG LYS 27 HG1 LYS 27 -16.159 12.429 -8.374 227 1HD LYS 27 HD2 LYS 27 -13.323 12.704 -7.341 228 2HD LYS 27 HD1 LYS 27 -13.920 11.503 -8.487 229 1HE LYS 27 HE2 LYS 27 -14.270 13.146 -10.187 230 2HE LYS 27 HE1 LYS 27 -14.079 14.480 -9.033 231 1HZ LYS 27 HZ1 LYS 27 -11.827 14.021 -8.752 232 2HZ LYS 27 HZ2 LYS 27 -12.052 13.834 -10.426 233 3HZ LYS 27 HZ3 LYS 27 -11.951 12.468 -9.421 234 H ASP 28 HN ASP 28 -17.223 11.955 -5.707 235 HA ASP 28 HA ASP 28 -20.008 12.639 -6.477 236 1HB ASP 28 HB2 ASP 28 -18.877 9.921 -5.788 237 2HB ASP 28 HB1 ASP 28 -20.209 10.304 -6.878 238 HA PRO 29 HA PRO 29 -21.587 12.379 -2.392 239 1HB PRO 29 HB2 PRO 29 -23.927 11.002 -2.741 240 2HB PRO 29 HB1 PRO 29 -23.703 12.678 -3.281 241 1HG PRO 29 HG2 PRO 29 -23.605 10.155 -4.853 242 2HG PRO 29 HG1 PRO 29 -24.275 11.733 -5.293 243 1HD PRO 29 HD2 PRO 29 -21.856 10.824 -6.168 244 2HD PRO 29 HD1 PRO 29 -22.249 12.547 -5.979 245 H GLU 30 HN GLU 30 -20.198 11.031 -1.193 246 HA GLU 30 HA GLU 30 -19.701 8.290 -1.487 247 1HB GLU 30 HB2 GLU 30 -19.059 8.419 0.887 248 2HB GLU 30 HB1 GLU 30 -18.566 9.890 0.047 249 1HG GLU 30 HG2 GLU 30 -19.738 11.077 1.556 250 2HG GLU 30 HG1 GLU 30 -21.211 10.352 0.911 251 H GLY 31 HN GLY 31 -20.474 6.714 0.471 252 1HA GLY 31 HA2 GLY 31 -23.461 6.871 0.560 253 2HA GLY 31 HA1 GLY 31 -22.611 5.349 0.290 254 H LYS 32 HN LYS 32 -23.940 4.769 2.279 255 HA LYS 32 HA LYS 32 -23.312 5.917 4.849 256 1HB LYS 32 HB2 LYS 32 -24.572 3.380 3.811 257 2HB LYS 32 HB1 LYS 32 -24.327 3.613 5.542 258 1HG LYS 32 HG2 LYS 32 -26.492 4.467 5.193 259 2HG LYS 32 HG1 LYS 32 -25.482 5.913 5.170 260 1HD LYS 32 HD2 LYS 32 -25.827 4.547 2.560 261 2HD LYS 32 HD1 LYS 32 -27.270 5.320 3.217 262 1HE LYS 32 HE2 LYS 32 -24.906 7.019 3.507 263 2HE LYS 32 HE1 LYS 32 -25.247 6.621 1.811 264 1HZ LYS 32 HZ1 LYS 32 -26.526 8.563 2.902 265 2HZ LYS 32 HZ2 LYS 32 -27.445 7.340 3.642 266 3HZ LYS 32 HZ3 LYS 32 -27.384 7.454 1.947 267 H ILE 33 HN ILE 33 -22.812 2.473 4.522 268 HA ILE 33 HA ILE 33 -19.868 2.780 4.892 269 HB ILE 33 HB ILE 33 -21.870 1.509 6.774 270 1HG1 ILE 33 HG12 ILE 33 -19.945 2.991 8.158 271 2HG1 ILE 33 HG11 ILE 33 -20.261 3.940 6.705 272 1HG2 ILE 33 HG21 ILE 33 -20.021 0.536 7.997 273 2HG2 ILE 33 HG22 ILE 33 -18.850 1.277 6.906 274 3HG2 ILE 33 HG23 ILE 33 -19.908 -0.009 6.323 275 1HD1 ILE 33 HD11 ILE 33 -22.786 3.386 7.289 276 2HD1 ILE 33 HD12 ILE 33 -21.955 4.724 8.082 277 3HD1 ILE 33 HD13 ILE 33 -22.134 3.179 8.914 278 H ILE 34 HN ILE 34 -18.778 1.160 3.809 279 HA ILE 34 HA ILE 34 -20.371 -0.886 2.398 280 HB ILE 34 HB ILE 34 -17.389 -0.331 2.393 281 1HG1 ILE 34 HG12 ILE 34 -19.015 0.708 0.175 282 2HG1 ILE 34 HG11 ILE 34 -19.370 1.478 1.722 283 1HG2 ILE 34 HG21 ILE 34 -17.261 -1.769 0.634 284 2HG2 ILE 34 HG22 ILE 34 -18.798 -1.228 -0.040 285 3HG2 ILE 34 HG23 ILE 34 -18.776 -2.409 1.269 286 1HD1 ILE 34 HD11 ILE 34 -17.597 2.783 0.940 287 2HD1 ILE 34 HD12 ILE 34 -16.782 1.407 0.197 288 3HD1 ILE 34 HD13 ILE 34 -16.758 1.605 1.950 289 H LEU 35 HN LEU 35 -20.606 -2.935 3.190 290 HA LEU 35 HA LEU 35 -18.695 -3.867 5.308 291 1HB LEU 35 HB2 LEU 35 -21.622 -3.972 4.875 292 2HB LEU 35 HB1 LEU 35 -20.910 -5.468 5.480 293 HG LEU 35 HG LEU 35 -21.587 -4.015 7.348 294 1HD1 LEU 35 HD11 LEU 35 -19.412 -5.441 7.318 295 2HD1 LEU 35 HD12 LEU 35 -19.600 -4.240 8.596 296 3HD1 LEU 35 HD13 LEU 35 -18.578 -3.892 7.201 297 1HD2 LEU 35 HD21 LEU 35 -19.645 -2.055 6.082 298 2HD2 LEU 35 HD22 LEU 35 -20.386 -1.852 7.669 299 3HD2 LEU 35 HD23 LEU 35 -21.391 -1.849 6.220 300 H THR 36 HN THR 36 -17.364 -4.479 3.263 301 HA THR 36 HA THR 36 -18.274 -7.160 2.276 302 HB THR 36 HB THR 36 -16.867 -6.423 0.220 303 HG1 THR 36 HG1 THR 36 -15.883 -4.627 0.909 304 1HG2 THR 36 HG21 THR 36 -19.137 -4.587 0.267 305 2HG2 THR 36 HG22 THR 36 -19.557 -6.187 0.878 306 3HG2 THR 36 HG23 THR 36 -18.870 -6.013 -0.737 307 H THR 37 HN THR 37 -15.352 -5.128 2.664 308 HA THR 37 HA THR 37 -13.731 -7.606 3.008 309 HB THR 37 HB THR 37 -13.102 -4.682 2.528 310 HG1 THR 37 HG1 THR 37 -12.232 -5.660 0.592 311 1HG2 THR 37 HG21 THR 37 -11.270 -7.021 3.085 312 2HG2 THR 37 HG22 THR 37 -11.308 -5.459 3.898 313 3HG2 THR 37 HG23 THR 37 -10.723 -5.574 2.240 314 H THR 38 HN THR 38 -12.984 -8.193 5.004 315 HA THR 38 HA THR 38 -13.225 -6.210 7.242 316 HB THR 38 HB THR 38 -13.746 -8.142 8.643 317 HG1 THR 38 HG1 THR 38 -12.812 -9.898 7.972 318 1HG2 THR 38 HG21 THR 38 -15.879 -8.694 7.749 319 2HG2 THR 38 HG22 THR 38 -15.321 -8.488 6.089 320 3HG2 THR 38 HG23 THR 38 -15.523 -7.080 7.133 321 H ARG 39 HN ARG 39 -11.769 -7.511 9.171 322 HA ARG 39 HA ARG 39 -9.058 -6.966 8.511 323 1HB ARG 39 HB2 ARG 39 -10.398 -8.646 10.643 324 2HB ARG 39 HB1 ARG 39 -8.670 -8.291 10.651 325 1HG ARG 39 HG2 ARG 39 -10.669 -6.058 10.395 326 2HG ARG 39 HG1 ARG 39 -10.278 -6.720 11.982 327 1HD ARG 39 HD2 ARG 39 -8.036 -5.956 10.123 328 2HD ARG 39 HD1 ARG 39 -8.859 -4.701 11.072 329 HE ARG 39 HE ARG 39 -8.151 -7.055 12.652 330 1HH1 ARG 39 HH11 ARG 39 -6.059 -5.134 10.997 331 2HH1 ARG 39 HH12 ARG 39 -5.330 -4.382 12.376 332 1HH2 ARG 39 HH21 ARG 39 -7.677 -5.602 14.616 333 2HH2 ARG 39 HH22 ARG 39 -6.245 -4.647 14.425 334 H GLU 40 HN GLU 40 -10.632 -10.149 8.955 335 HA GLU 40 HA GLU 40 -8.412 -11.714 8.046 336 1HB GLU 40 HB2 GLU 40 -10.455 -12.426 9.361 337 2HB GLU 40 HB1 GLU 40 -11.379 -12.320 7.864 338 1HG GLU 40 HG2 GLU 40 -9.686 -13.917 6.839 339 2HG GLU 40 HG1 GLU 40 -9.055 -14.164 8.468 340 H ALA 41 HN ALA 41 -11.441 -10.843 6.350 341 HA ALA 41 HA ALA 41 -10.859 -11.833 3.797 342 1HB ALA 41 HB1 ALA 41 -12.713 -10.111 5.072 343 2HB ALA 41 HB2 ALA 41 -12.862 -10.837 3.472 344 3HB ALA 41 HB3 ALA 41 -12.128 -9.244 3.652 345 H ALA 42 HN ALA 42 -10.122 -8.564 5.042 346 HA ALA 42 HA ALA 42 -8.859 -7.399 2.865 347 1HB ALA 42 HB1 ALA 42 -7.585 -6.139 4.550 348 2HB ALA 42 HB2 ALA 42 -7.917 -7.385 5.752 349 3HB ALA 42 HB3 ALA 42 -9.234 -6.398 5.119 350 H VAL 43 HN VAL 43 -6.977 -9.066 5.402 351 HA VAL 43 HA VAL 43 -4.538 -9.316 4.102 352 HB VAL 43 HB VAL 43 -6.076 -11.197 5.909 353 1HG1 VAL 43 HG11 VAL 43 -3.381 -11.795 6.205 354 2HG1 VAL 43 HG12 VAL 43 -3.570 -11.638 4.459 355 3HG1 VAL 43 HG13 VAL 43 -4.564 -12.787 5.353 356 1HG2 VAL 43 HG21 VAL 43 -4.637 -8.763 6.276 357 2HG2 VAL 43 HG22 VAL 43 -3.687 -10.051 7.016 358 3HG2 VAL 43 HG23 VAL 43 -5.358 -9.789 7.516 359 H GLU 44 HN GLU 44 -7.383 -11.416 3.735 360 HA GLU 44 HA GLU 44 -6.230 -13.327 1.952 361 1HB GLU 44 HB2 GLU 44 -8.559 -13.062 3.255 362 2HB GLU 44 HB1 GLU 44 -9.079 -12.463 1.679 363 1HG GLU 44 HG2 GLU 44 -8.485 -14.502 0.596 364 2HG GLU 44 HG1 GLU 44 -7.573 -15.064 1.997 365 H GLN 45 HN GLN 45 -8.121 -10.372 1.273 366 HA GLN 45 HA GLN 45 -8.019 -10.443 -1.552 367 1HB GLN 45 HB2 GLN 45 -8.811 -8.712 0.514 368 2HB GLN 45 HB1 GLN 45 -7.645 -7.778 -0.422 369 1HG GLN 45 HG2 GLN 45 -9.938 -9.299 -1.686 370 2HG GLN 45 HG1 GLN 45 -10.049 -7.601 -1.223 371 1HE2 GLN 45 HE21 GLN 45 -10.239 -6.928 -3.490 372 2HE2 GLN 45 HE22 GLN 45 -8.898 -6.967 -4.530 373 H LEU 46 HN LEU 46 -5.596 -9.583 0.834 374 HA LEU 46 HA LEU 46 -3.695 -8.523 -1.148 375 1HB LEU 46 HB2 LEU 46 -4.123 -8.545 1.699 376 2HB LEU 46 HB1 LEU 46 -2.494 -9.132 1.363 377 HG LEU 46 HG LEU 46 -2.870 -6.948 -0.371 378 1HD1 LEU 46 HD11 LEU 46 -3.822 -5.215 0.833 379 2HD1 LEU 46 HD12 LEU 46 -3.450 -5.954 2.390 380 3HD1 LEU 46 HD13 LEU 46 -4.797 -6.560 1.427 381 1HD2 LEU 46 HD21 LEU 46 -1.457 -7.032 2.312 382 2HD2 LEU 46 HD22 LEU 46 -1.084 -5.958 0.965 383 3HD2 LEU 46 HD23 LEU 46 -0.794 -7.691 0.817 384 H LYS 47 HN LYS 47 -4.269 -11.494 0.681 385 HA LYS 47 HA LYS 47 -1.909 -12.925 0.340 386 1HB LYS 47 HB2 LYS 47 -4.820 -13.511 0.470 387 2HB LYS 47 HB1 LYS 47 -3.803 -14.823 -0.119 388 1HG LYS 47 HG2 LYS 47 -3.497 -13.337 2.504 389 2HG LYS 47 HG1 LYS 47 -3.999 -15.015 2.296 390 1HD LYS 47 HD2 LYS 47 -1.845 -15.652 2.335 391 2HD LYS 47 HD1 LYS 47 -1.545 -14.685 0.890 392 1HE LYS 47 HE2 LYS 47 -1.271 -12.667 2.393 393 2HE LYS 47 HE1 LYS 47 -1.331 -13.776 3.777 394 1HZ LYS 47 HZ1 LYS 47 0.645 -13.672 1.585 395 2HZ LYS 47 HZ2 LYS 47 0.394 -15.110 2.456 396 3HZ LYS 47 HZ3 LYS 47 0.920 -13.707 3.259 397 H SER 48 HN SER 48 -4.596 -12.690 -1.988 398 HA SER 48 HA SER 48 -3.122 -14.067 -4.108 399 1HB SER 48 HB2 SER 48 -5.158 -13.779 -5.304 400 2HB SER 48 HB1 SER 48 -5.664 -13.945 -3.626 401 HG SER 48 HG SER 48 -5.878 -11.824 -5.324 402 H ILE 49 HN ILE 49 -3.919 -10.703 -3.280 403 HA ILE 49 HA ILE 49 -3.111 -9.408 -5.633 404 HB ILE 49 HB ILE 49 -3.907 -8.728 -3.076 405 1HG1 ILE 49 HG12 ILE 49 -4.333 -7.570 -5.267 406 2HG1 ILE 49 HG11 ILE 49 -4.002 -6.468 -3.930 407 1HG2 ILE 49 HG21 ILE 49 -1.043 -7.827 -3.468 408 2HG2 ILE 49 HG22 ILE 49 -1.728 -8.679 -2.085 409 3HG2 ILE 49 HG23 ILE 49 -2.164 -7.000 -2.389 410 1HD1 ILE 49 HD11 ILE 49 -1.588 -7.355 -5.354 411 2HD1 ILE 49 HD12 ILE 49 -2.071 -5.732 -4.861 412 3HD1 ILE 49 HD13 ILE 49 -2.702 -6.424 -6.355 413 H ARG 50 HN ARG 50 -1.044 -10.218 -2.830 414 HA ARG 50 HA ARG 50 1.436 -9.410 -3.986 415 1HB ARG 50 HB2 ARG 50 1.166 -9.901 -1.620 416 2HB ARG 50 HB1 ARG 50 0.660 -11.553 -1.976 417 1HG ARG 50 HG2 ARG 50 3.085 -11.428 -3.258 418 2HG ARG 50 HG1 ARG 50 3.372 -10.408 -1.848 419 1HD ARG 50 HD2 ARG 50 3.845 -12.469 -0.892 420 2HD ARG 50 HD1 ARG 50 2.088 -12.464 -0.641 421 HE ARG 50 HE ARG 50 2.367 -13.443 -3.212 422 1HH1 ARG 50 HH21 ARG 50 1.654 -14.954 -0.557 423 2HH1 ARG 50 HH22 ARG 50 2.707 -16.320 -0.713 424 1HH2 ARG 50 HH11 ARG 50 4.613 -14.897 -3.237 425 2HH2 ARG 50 HH12 ARG 50 4.383 -16.288 -2.230 426 H GLU 51 HN GLU 51 -0.340 -12.481 -4.058 427 HA GLU 51 HA GLU 51 1.549 -14.059 -5.528 428 1HB GLU 51 HB2 GLU 51 -0.241 -15.150 -4.449 429 2HB GLU 51 HB1 GLU 51 -1.422 -13.990 -5.019 430 1HG GLU 51 HG2 GLU 51 -1.419 -16.339 -6.105 431 2HG GLU 51 HG1 GLU 51 -1.502 -14.936 -7.168 432 H ASP 52 HN ASP 52 -1.358 -12.327 -6.606 433 HA ASP 52 HA ASP 52 -0.932 -12.674 -9.413 434 1HB ASP 52 HB2 ASP 52 -2.718 -11.333 -7.624 435 2HB ASP 52 HB1 ASP 52 -2.184 -10.149 -8.817 436 H ILE 53 HN ILE 53 -0.024 -10.014 -7.199 437 HA ILE 53 HA ILE 53 1.372 -8.440 -9.158 438 HB ILE 53 HB ILE 53 1.711 -8.790 -6.156 439 1HG1 ILE 53 HG12 ILE 53 -0.549 -8.037 -7.158 440 2HG1 ILE 53 HG11 ILE 53 0.160 -7.009 -5.914 441 1HG2 ILE 53 HG21 ILE 53 3.682 -7.700 -6.845 442 2HG2 ILE 53 HG22 ILE 53 2.607 -6.363 -6.439 443 3HG2 ILE 53 HG23 ILE 53 2.854 -6.815 -8.126 444 1HD1 ILE 53 HD11 ILE 53 -0.702 -5.781 -7.961 445 2HD1 ILE 53 HD12 ILE 53 0.595 -6.555 -8.873 446 3HD1 ILE 53 HD13 ILE 53 0.982 -5.459 -7.547 447 H VAL 54 HN VAL 54 2.085 -11.339 -7.396 448 HA VAL 54 HA VAL 54 4.965 -11.316 -7.690 449 HB VAL 54 HB VAL 54 2.793 -13.015 -6.669 450 1HG1 VAL 54 HG11 VAL 54 4.334 -15.071 -6.680 451 2HG1 VAL 54 HG12 VAL 54 5.190 -14.274 -8.000 452 3HG1 VAL 54 HG13 VAL 54 3.490 -14.703 -8.185 453 1HG2 VAL 54 HG21 VAL 54 4.732 -13.620 -5.082 454 2HG2 VAL 54 HG22 VAL 54 4.157 -11.953 -5.082 455 3HG2 VAL 54 HG23 VAL 54 5.638 -12.374 -5.941 456 H SER 55 HN SER 55 2.541 -13.465 -9.234 457 HA SER 55 HA SER 55 4.390 -13.755 -11.557 458 1HB SER 55 HB2 SER 55 3.615 -15.821 -10.678 459 2HB SER 55 HB1 SER 55 1.966 -15.227 -10.521 460 HG SER 55 HG SER 55 1.722 -16.096 -12.420 461 H GLY 56 HN GLY 56 3.005 -14.040 -13.704 462 1HA GLY 56 HA2 GLY 56 1.668 -13.039 -15.327 463 2HA GLY 56 HA1 GLY 56 0.606 -12.529 -14.011 464 H LYS 57 HN LYS 57 2.918 -11.495 -16.266 465 HA LYS 57 HA LYS 57 3.975 -9.174 -14.931 466 1HB LYS 57 HB2 LYS 57 4.941 -10.181 -16.948 467 2HB LYS 57 HB1 LYS 57 3.469 -9.831 -17.853 468 1HG LYS 57 HG2 LYS 57 3.888 -7.540 -17.915 469 2HG LYS 57 HG1 LYS 57 4.914 -7.586 -16.480 470 1HD LYS 57 HD2 LYS 57 6.724 -8.567 -17.683 471 2HD LYS 57 HD1 LYS 57 5.695 -8.951 -19.062 472 1HE LYS 57 HE2 LYS 57 5.713 -6.774 -19.860 473 2HE LYS 57 HE1 LYS 57 5.932 -6.076 -18.242 474 1HZ LYS 57 HZ1 LYS 57 8.157 -7.090 -18.187 475 2HZ LYS 57 HZ2 LYS 57 8.005 -5.956 -19.442 476 3HZ LYS 57 HZ3 LYS 57 7.951 -7.619 -19.785 477 H ALA 58 HN ALA 58 1.306 -9.129 -14.203 478 HA ALA 58 HA ALA 58 -0.418 -7.623 -15.941 479 1HB ALA 58 HB1 ALA 58 -0.262 -8.145 -12.964 480 2HB ALA 58 HB2 ALA 58 -1.260 -8.986 -14.150 481 3HB ALA 58 HB3 ALA 58 -1.623 -7.315 -13.720 482 H ASN 59 HN ASN 59 -1.338 -5.500 -14.480 483 HA ASN 59 HA ASN 59 0.893 -3.553 -14.704 484 1HB ASN 59 HB2 ASN 59 -1.037 -1.958 -14.661 485 2HB ASN 59 HB1 ASN 59 -1.201 -3.180 -15.920 486 1HD2 ASN 59 HD21 ASN 59 -3.510 -3.320 -15.956 487 2HD2 ASN 59 HD22 ASN 59 -4.425 -3.835 -14.622 488 H PHE 60 HN PHE 60 -0.406 -1.621 -12.950 489 HA PHE 60 HA PHE 60 -0.795 -2.676 -10.299 490 1HB PHE 60 HB2 PHE 60 1.563 -3.280 -10.589 491 2HB PHE 60 HB1 PHE 60 1.952 -1.617 -11.030 492 HD1 PHE 60 HD1 PHE 60 1.315 0.232 -9.306 493 HD2 PHE 60 HD2 PHE 60 1.651 -3.936 -8.337 494 HE1 PHE 60 HE1 PHE 60 1.573 0.811 -6.907 495 HE2 PHE 60 HE2 PHE 60 1.909 -3.359 -5.939 496 HZ PHE 60 HZ PHE 60 1.871 -0.985 -5.224 497 H GLU 61 HN GLU 61 0.206 0.031 -12.337 498 HA GLU 61 HA GLU 61 -0.145 2.136 -10.431 499 1HB GLU 61 HB2 GLU 61 -0.373 1.976 -13.451 500 2HB GLU 61 HB1 GLU 61 -0.364 3.496 -12.558 501 1HG GLU 61 HG2 GLU 61 1.815 2.271 -11.478 502 2HG GLU 61 HG1 GLU 61 1.859 1.630 -13.120 503 H GLU 62 HN GLU 62 -2.318 1.612 -13.217 504 HA GLU 62 HA GLU 62 -4.531 3.032 -12.421 505 1HB GLU 62 HB2 GLU 62 -3.960 1.314 -14.402 506 2HB GLU 62 HB1 GLU 62 -4.988 0.254 -13.437 507 1HG GLU 62 HG2 GLU 62 -6.494 2.499 -13.399 508 2HG GLU 62 HG1 GLU 62 -5.694 2.705 -14.957 509 H VAL 63 HN VAL 63 -3.807 -0.326 -11.391 510 HA VAL 63 HA VAL 63 -6.070 -0.780 -9.768 511 HB VAL 63 HB VAL 63 -3.207 -1.582 -9.172 512 1HG1 VAL 63 HG11 VAL 63 -4.159 -3.485 -8.108 513 2HG1 VAL 63 HG12 VAL 63 -5.746 -3.183 -8.816 514 3HG1 VAL 63 HG13 VAL 63 -5.128 -2.119 -7.554 515 1HG2 VAL 63 HG21 VAL 63 -3.198 -2.480 -11.249 516 2HG2 VAL 63 HG22 VAL 63 -4.918 -2.158 -11.475 517 3HG2 VAL 63 HG23 VAL 63 -4.397 -3.622 -10.641 518 H ALA 64 HN ALA 64 -2.914 0.596 -8.827 519 HA ALA 64 HA ALA 64 -3.569 1.193 -6.120 520 1HB ALA 64 HB1 ALA 64 -1.710 2.586 -8.077 521 2HB ALA 64 HB2 ALA 64 -1.305 1.162 -7.118 522 3HB ALA 64 HB3 ALA 64 -1.616 2.703 -6.320 523 H THR 65 HN THR 65 -3.636 3.347 -8.996 524 HA THR 65 HA THR 65 -4.538 5.713 -7.893 525 HB THR 65 HB THR 65 -6.096 5.337 -10.193 526 HG1 THR 65 HG1 THR 65 -3.634 4.185 -10.769 527 1HG2 THR 65 HG21 THR 65 -3.220 6.241 -9.889 528 2HG2 THR 65 HG22 THR 65 -4.652 7.258 -9.735 529 3HG2 THR 65 HG23 THR 65 -4.234 6.556 -11.298 530 H ARG 66 HN ARG 66 -6.391 2.743 -8.314 531 HA ARG 66 HA ARG 66 -8.883 4.077 -7.404 532 1HB ARG 66 HB2 ARG 66 -8.631 2.406 -9.347 533 2HB ARG 66 HB1 ARG 66 -8.440 1.172 -8.100 534 1HG ARG 66 HG2 ARG 66 -10.631 2.312 -7.122 535 2HG ARG 66 HG1 ARG 66 -10.850 2.798 -8.804 536 1HD ARG 66 HD2 ARG 66 -10.349 -0.063 -7.909 537 2HD ARG 66 HD1 ARG 66 -11.943 0.602 -8.315 538 HE ARG 66 HE ARG 66 -9.750 0.093 -10.227 539 1HH1 ARG 66 HH11 ARG 66 -13.043 0.239 -9.822 540 2HH1 ARG 66 HH12 ARG 66 -13.389 1.022 -11.328 541 1HH2 ARG 66 HH21 ARG 66 -10.063 1.686 -12.047 542 2HH2 ARG 66 HH22 ARG 66 -11.701 1.841 -12.587 543 H VAL 67 HN VAL 67 -6.985 1.185 -6.512 544 HA VAL 67 HA VAL 67 -8.242 1.158 -3.829 545 HB VAL 67 HB VAL 67 -8.030 -0.895 -5.159 546 1HG1 VAL 67 HG11 VAL 67 -5.356 0.176 -5.595 547 2HG1 VAL 67 HG12 VAL 67 -6.233 -1.053 -6.507 548 3HG1 VAL 67 HG13 VAL 67 -5.307 -1.510 -5.078 549 1HG2 VAL 67 HG21 VAL 67 -7.653 -0.836 -2.589 550 2HG2 VAL 67 HG22 VAL 67 -5.958 -1.130 -2.981 551 3HG2 VAL 67 HG23 VAL 67 -7.189 -2.297 -3.461 552 H SER 68 HN SER 68 -6.710 3.446 -3.945 553 HA SER 68 HA SER 68 -4.244 2.683 -2.413 554 1HB SER 68 HB2 SER 68 -4.745 4.679 -4.600 555 2HB SER 68 HB1 SER 68 -3.446 4.955 -3.445 556 HG SER 68 HG SER 68 -2.341 3.565 -4.548 557 H ASP 69 HN ASP 69 -3.537 4.361 -0.857 558 HA ASP 69 HA ASP 69 -5.615 5.257 0.874 559 1HB ASP 69 HB2 ASP 69 -3.008 4.831 1.114 560 2HB ASP 69 HB1 ASP 69 -2.923 6.564 0.791 561 H CYS 70 HN CYS 70 -7.006 6.399 -0.744 562 HA CYS 70 HA CYS 70 -7.692 8.319 -1.964 563 1HB CYS 70 HB2 CYS 70 -8.242 8.829 0.323 564 2HB CYS 70 HB1 CYS 70 -6.573 9.265 0.686 565 HG CYS 70 HG CYS 70 -7.053 11.553 -0.111 566 H SER 71 HN SER 71 -5.188 10.161 -0.339 567 HA SER 71 HA SER 71 -4.193 11.570 -2.523 568 1HB SER 71 HB2 SER 71 -3.623 11.813 -0.090 569 2HB SER 71 HB1 SER 71 -2.633 10.369 -0.211 570 HG SER 71 HG SER 71 -2.275 12.587 -1.928 571 H SER 72 HN SER 72 -3.032 8.463 -1.253 572 HA SER 72 HA SER 72 -1.020 7.873 -3.133 573 1HB SER 72 HB2 SER 72 -3.052 6.216 -1.626 574 2HB SER 72 HB1 SER 72 -1.840 5.454 -2.650 575 HG SER 72 HG SER 72 -1.469 7.091 -0.369 576 H ALA 73 HN ALA 73 -4.561 7.572 -3.418 577 HA ALA 73 HA ALA 73 -4.778 6.143 -5.834 578 1HB ALA 73 HB1 ALA 73 -6.567 7.218 -4.291 579 2HB ALA 73 HB2 ALA 73 -6.899 7.220 -6.024 580 3HB ALA 73 HB3 ALA 73 -6.310 8.684 -5.236 581 H LYS 74 HN LYS 74 -4.051 9.576 -5.268 582 HA LYS 74 HA LYS 74 -3.742 10.294 -8.064 583 1HB LYS 74 HB2 LYS 74 -4.149 11.800 -6.042 584 2HB LYS 74 HB1 LYS 74 -2.464 11.530 -5.597 585 1HG LYS 74 HG2 LYS 74 -1.657 12.807 -7.326 586 2HG LYS 74 HG1 LYS 74 -2.981 12.368 -8.406 587 1HD LYS 74 HD2 LYS 74 -3.494 14.086 -5.986 588 2HD LYS 74 HD1 LYS 74 -2.895 14.802 -7.483 589 1HE LYS 74 HE2 LYS 74 -4.979 14.747 -8.358 590 2HE LYS 74 HE1 LYS 74 -5.054 12.992 -8.101 591 1HZ LYS 74 HZ1 LYS 74 -6.025 13.224 -6.077 592 2HZ LYS 74 HZ2 LYS 74 -6.611 14.657 -6.775 593 3HZ LYS 74 HZ3 LYS 74 -5.263 14.702 -5.742 594 H ARG 75 HN ARG 75 -1.732 8.892 -5.587 595 HA ARG 75 HA ARG 75 0.622 8.788 -7.444 596 1HB ARG 75 HB2 ARG 75 0.180 9.319 -4.573 597 2HB ARG 75 HB1 ARG 75 1.495 8.189 -4.893 598 1HG ARG 75 HG2 ARG 75 2.776 9.763 -5.949 599 2HG ARG 75 HG1 ARG 75 1.380 10.633 -6.584 600 1HD ARG 75 HD2 ARG 75 1.133 10.927 -3.818 601 2HD ARG 75 HD1 ARG 75 2.873 11.112 -4.119 602 HE ARG 75 HE ARG 75 1.549 12.549 -6.155 603 1HH1 ARG 75 HH11 ARG 75 3.215 13.107 -3.378 604 2HH1 ARG 75 HH12 ARG 75 2.404 14.572 -2.936 605 1HH2 ARG 75 HH21 ARG 75 -0.095 14.219 -5.314 606 2HH2 ARG 75 HH22 ARG 75 0.532 15.202 -4.032 607 H GLY 76 HN GLY 76 -1.473 6.910 -7.741 608 1HA GLY 76 HA2 GLY 76 -1.397 4.565 -6.214 609 2HA GLY 76 HA1 GLY 76 -1.765 4.591 -7.941 610 H GLY 77 HN GLY 77 0.931 5.883 -8.366 611 1HA GLY 77 HA2 GLY 77 2.371 3.486 -9.013 612 2HA GLY 77 HA1 GLY 77 3.053 5.114 -9.028 613 H ASP 78 HN ASP 78 4.268 5.804 -7.261 614 HA ASP 78 HA ASP 78 4.363 4.011 -4.895 615 1HB ASP 78 HB2 ASP 78 6.778 3.759 -5.150 616 2HB ASP 78 HB1 ASP 78 5.997 3.291 -6.662 617 H LEU 79 HN LEU 79 5.909 4.970 -3.211 618 HA LEU 79 HA LEU 79 5.157 7.705 -2.619 619 1HB LEU 79 HB2 LEU 79 7.107 5.675 -1.484 620 2HB LEU 79 HB1 LEU 79 6.897 7.269 -0.765 621 HG LEU 79 HG LEU 79 4.505 6.808 -0.407 622 1HD1 LEU 79 HD11 LEU 79 5.199 4.158 -1.704 623 2HD1 LEU 79 HD12 LEU 79 4.006 5.337 -2.251 624 3HD1 LEU 79 HD13 LEU 79 3.727 4.423 -0.770 625 1HD2 LEU 79 HD21 LEU 79 4.858 5.558 1.506 626 2HD2 LEU 79 HD22 LEU 79 6.540 5.890 1.090 627 3HD2 LEU 79 HD23 LEU 79 5.814 4.342 0.658 628 H GLY 80 HN GLY 80 8.307 6.177 -3.141 629 1HA GLY 80 HA2 GLY 80 9.717 7.232 -5.001 630 2HA GLY 80 HA1 GLY 80 9.400 8.751 -4.164 631 H SER 81 HN SER 81 10.238 9.049 -2.055 632 HA SER 81 HA SER 81 12.152 7.043 -1.029 633 1HB SER 81 HB2 SER 81 14.037 8.421 -1.285 634 2HB SER 81 HB1 SER 81 13.167 8.616 -2.802 635 HG SER 81 HG SER 81 12.108 10.442 -1.536 636 H PHE 82 HN PHE 82 12.057 7.054 1.180 637 HA PHE 82 HA PHE 82 11.658 9.539 2.689 638 1HB PHE 82 HB2 PHE 82 9.494 8.694 3.661 639 2HB PHE 82 HB1 PHE 82 9.394 9.068 1.943 640 HD1 PHE 82 HD1 PHE 82 9.853 7.103 0.289 641 HD2 PHE 82 HD2 PHE 82 8.857 6.582 4.432 642 HE1 PHE 82 HE1 PHE 82 9.140 4.774 -0.177 643 HE2 PHE 82 HE2 PHE 82 8.142 4.262 3.969 644 HZ PHE 82 HZ PHE 82 8.284 3.351 1.664 645 H GLY 83 HN GLY 83 10.411 7.705 4.867 646 1HA GLY 83 HA2 GLY 83 11.563 5.559 5.807 647 2HA GLY 83 HA1 GLY 83 13.019 6.550 5.729 648 H ARG 84 HN ARG 84 11.288 8.966 6.421 649 HA ARG 84 HA ARG 84 10.347 8.449 9.148 650 1HB ARG 84 HB2 ARG 84 12.188 10.161 9.961 651 2HB ARG 84 HB1 ARG 84 12.602 8.457 9.777 652 1HG ARG 84 HG2 ARG 84 12.913 9.934 7.276 653 2HG ARG 84 HG1 ARG 84 13.913 10.598 8.568 654 1HD ARG 84 HD2 ARG 84 13.897 7.635 8.397 655 2HD ARG 84 HD1 ARG 84 14.688 8.474 7.049 656 HE ARG 84 HE ARG 84 16.113 9.634 8.711 657 1HH1 ARG 84 HH11 ARG 84 16.152 6.515 9.079 658 2HH1 ARG 84 HH12 ARG 84 16.221 6.433 10.808 659 1HH2 ARG 84 HH21 ARG 84 15.342 9.755 11.267 660 2HH2 ARG 84 HH22 ARG 84 15.763 8.266 12.046 661 H GLY 85 HN GLY 85 8.452 9.579 8.553 662 1HA GLY 85 HA2 GLY 85 7.778 12.045 9.059 663 2HA GLY 85 HA1 GLY 85 8.788 12.407 7.659 664 H GLN 86 HN GLN 86 7.669 9.565 6.764 665 HA GLN 86 HA GLN 86 5.171 10.681 5.514 666 1HB GLN 86 HB2 GLN 86 7.071 8.539 4.505 667 2HB GLN 86 HB1 GLN 86 5.794 9.331 3.584 668 1HG GLN 86 HG2 GLN 86 7.375 11.404 4.630 669 2HG GLN 86 HG1 GLN 86 8.510 10.188 4.052 670 1HE2 GLN 86 HE21 GLN 86 7.086 9.137 1.846 671 2HE2 GLN 86 HE22 GLN 86 6.876 10.355 0.683 672 H MET 87 HN MET 87 6.731 7.564 6.105 673 HA MET 87 HA MET 87 4.271 6.061 6.279 674 1HB MET 87 HB2 MET 87 7.051 5.715 6.002 675 2HB MET 87 HB1 MET 87 6.614 4.864 7.487 676 1HG MET 87 HG2 MET 87 6.216 3.222 5.905 677 2HG MET 87 HG1 MET 87 4.619 3.946 6.045 678 1HE MET 87 HE1 MET 87 4.798 6.642 4.580 679 2HE MET 87 HE2 MET 87 5.609 6.704 3.021 680 3HE MET 87 HE3 MET 87 6.565 6.652 4.497 681 H GLN 88 HN GLN 88 5.100 4.450 8.613 682 HA GLN 88 HA GLN 88 4.646 6.379 10.854 683 1HB GLN 88 HB2 GLN 88 2.834 4.461 9.687 684 2HB GLN 88 HB1 GLN 88 3.166 4.021 11.362 685 1HG GLN 88 HG2 GLN 88 1.937 5.740 12.139 686 2HG GLN 88 HG1 GLN 88 2.780 6.887 11.097 687 1HE2 GLN 88 HE21 GLN 88 -0.062 4.800 11.338 688 2HE2 GLN 88 HE22 GLN 88 -0.838 5.395 9.951 689 H LYS 89 HN LYS 89 5.292 2.955 10.067 690 HA LYS 89 HA LYS 89 7.715 2.750 11.519 691 1HB LYS 89 HB2 LYS 89 5.284 2.885 13.103 692 2HB LYS 89 HB1 LYS 89 6.148 1.376 13.402 693 1HG LYS 89 HG2 LYS 89 7.847 2.432 14.463 694 2HG LYS 89 HG1 LYS 89 7.924 3.705 13.245 695 1HD LYS 89 HD2 LYS 89 6.401 5.050 14.351 696 2HD LYS 89 HD1 LYS 89 5.584 3.682 15.108 697 1HE LYS 89 HE2 LYS 89 6.999 3.679 16.907 698 2HE LYS 89 HE1 LYS 89 8.418 4.054 15.910 699 1HZ LYS 89 HZ1 LYS 89 6.332 5.898 16.908 700 2HZ LYS 89 HZ2 LYS 89 7.295 6.301 15.567 701 3HZ LYS 89 HZ3 LYS 89 8.015 6.019 17.080 702 HA PRO 90 HA PRO 90 5.908 -1.683 10.980 703 1HB PRO 90 HB2 PRO 90 3.401 -1.864 9.871 704 2HB PRO 90 HB1 PRO 90 3.692 -1.822 11.622 705 1HG PRO 90 HG2 PRO 90 2.903 0.397 9.786 706 2HG PRO 90 HG1 PRO 90 2.283 -0.003 11.398 707 1HD PRO 90 HD2 PRO 90 4.057 1.971 11.030 708 2HD PRO 90 HD1 PRO 90 4.101 0.943 12.479 709 H PHE 91 HN PHE 91 4.633 0.661 8.579 710 HA PHE 91 HA PHE 91 5.139 -0.951 6.267 711 1HB PHE 91 HB2 PHE 91 3.733 1.053 6.233 712 2HB PHE 91 HB1 PHE 91 5.100 2.056 6.708 713 HD1 PHE 91 HD1 PHE 91 7.282 1.677 5.066 714 HD2 PHE 91 HD2 PHE 91 3.175 1.074 3.971 715 HE1 PHE 91 HE1 PHE 91 7.900 1.860 2.713 716 HE2 PHE 91 HE2 PHE 91 3.808 1.288 1.573 717 HZ PHE 91 HZ PHE 91 6.166 1.685 0.946 718 H GLU 92 HN GLU 92 7.056 1.738 7.612 719 HA GLU 92 HA GLU 92 9.286 1.727 6.023 720 1HB GLU 92 HB2 GLU 92 9.197 1.800 9.056 721 2HB GLU 92 HB1 GLU 92 10.504 2.445 8.061 722 1HG GLU 92 HG2 GLU 92 8.350 3.646 6.903 723 2HG GLU 92 HG1 GLU 92 7.810 3.549 8.578 724 H GLU 93 HN GLU 93 9.373 -0.167 9.059 725 HA GLU 93 HA GLU 93 11.597 -1.734 8.518 726 1HB GLU 93 HB2 GLU 93 10.853 -2.992 10.319 727 2HB GLU 93 HB1 GLU 93 9.789 -1.600 10.492 728 1HG GLU 93 HG2 GLU 93 8.018 -2.774 9.267 729 2HG GLU 93 HG1 GLU 93 9.081 -4.158 9.025 730 H ALA 94 HN ALA 94 8.416 -1.955 7.062 731 HA ALA 94 HA ALA 94 8.702 -4.580 5.893 732 1HB ALA 94 HB1 ALA 94 6.660 -4.037 4.911 733 2HB ALA 94 HB2 ALA 94 7.161 -2.381 4.567 734 3HB ALA 94 HB3 ALA 94 6.685 -2.835 6.203 735 H THR 95 HN THR 95 8.959 -1.342 4.407 736 HA THR 95 HA THR 95 10.156 -2.308 1.975 737 HB THR 95 HB THR 95 10.380 0.446 3.221 738 HG1 THR 95 HG1 THR 95 8.308 -0.277 1.500 739 1HG2 THR 95 HG21 THR 95 10.086 -0.395 0.330 740 2HG2 THR 95 HG22 THR 95 11.647 -0.115 1.101 741 3HG2 THR 95 HG23 THR 95 10.491 1.208 0.943 742 H TYR 96 HN TYR 96 11.411 -1.098 5.045 743 HA TYR 96 HA TYR 96 14.191 -0.955 4.277 744 1HB TYR 96 HB2 TYR 96 12.536 -1.035 6.773 745 2HB TYR 96 HB1 TYR 96 14.266 -1.333 6.931 746 HD1 TYR 96 HD1 TYR 96 11.704 1.160 6.505 747 HD2 TYR 96 HD2 TYR 96 15.889 0.384 5.914 748 HE1 TYR 96 HE1 TYR 96 12.134 3.596 6.352 749 HE2 TYR 96 HE2 TYR 96 16.316 2.824 5.761 750 HH TYR 96 HH TYR 96 15.351 4.900 6.347 751 H ALA 97 HN ALA 97 12.027 -3.510 5.273 752 HA ALA 97 HA ALA 97 14.229 -5.465 5.652 753 1HB ALA 97 HB1 ALA 97 12.352 -6.896 6.387 754 2HB ALA 97 HB2 ALA 97 11.201 -5.681 5.832 755 3HB ALA 97 HB3 ALA 97 12.273 -5.327 7.187 756 H LEU 98 HN LEU 98 11.480 -4.803 3.495 757 HA LEU 98 HA LEU 98 11.891 -7.146 1.819 758 1HB LEU 98 HB2 LEU 98 9.874 -5.401 2.305 759 2HB LEU 98 HB1 LEU 98 10.504 -4.718 0.805 760 HG LEU 98 HG LEU 98 10.255 -7.651 0.769 761 1HD1 LEU 98 HD11 LEU 98 8.173 -6.346 2.031 762 2HD1 LEU 98 HD12 LEU 98 8.040 -7.889 1.188 763 3HD1 LEU 98 HD13 LEU 98 7.636 -6.390 0.352 764 1HD2 LEU 98 HD21 LEU 98 10.366 -5.474 -1.028 765 2HD2 LEU 98 HD22 LEU 98 8.758 -6.175 -1.221 766 3HD2 LEU 98 HD23 LEU 98 10.191 -7.180 -1.436 767 H LYS 99 HN LYS 99 12.563 -6.998 -0.472 768 HA LYS 99 HA LYS 99 14.472 -4.740 -0.993 769 1HB LYS 99 HB2 LYS 99 14.737 -7.692 -0.996 770 2HB LYS 99 HB1 LYS 99 15.494 -6.869 -2.361 771 1HG LYS 99 HG2 LYS 99 17.228 -6.729 -0.845 772 2HG LYS 99 HG1 LYS 99 16.361 -5.253 -0.419 773 1HD LYS 99 HD2 LYS 99 15.456 -6.179 1.515 774 2HD LYS 99 HD1 LYS 99 15.594 -7.831 0.910 775 1HE LYS 99 HE2 LYS 99 18.232 -7.017 0.951 776 2HE LYS 99 HE1 LYS 99 17.562 -6.228 2.394 777 1HZ LYS 99 HZ1 LYS 99 16.355 -8.577 2.543 778 2HZ LYS 99 HZ2 LYS 99 17.860 -8.278 3.272 779 3HZ LYS 99 HZ3 LYS 99 17.782 -9.068 1.770 780 H VAL 100 HN VAL 100 13.686 -7.462 -3.082 781 HA VAL 100 HA VAL 100 11.827 -5.890 -4.741 782 HB VAL 100 HB VAL 100 14.704 -6.483 -5.446 783 1HG1 VAL 100 HG11 VAL 100 13.855 -5.524 -7.766 784 2HG1 VAL 100 HG12 VAL 100 12.329 -6.248 -7.256 785 3HG1 VAL 100 HG13 VAL 100 13.769 -7.252 -7.426 786 1HG2 VAL 100 HG21 VAL 100 12.924 -4.094 -5.184 787 2HG2 VAL 100 HG22 VAL 100 14.223 -4.029 -6.375 788 3HG2 VAL 100 HG23 VAL 100 14.599 -4.303 -4.673 789 H GLY 101 HN GLY 101 12.273 -8.624 -3.308 790 1HA GLY 101 HA2 GLY 101 11.225 -10.257 -5.568 791 2HA GLY 101 HA1 GLY 101 12.525 -10.906 -4.568 792 H ASP 102 HN ASP 102 10.203 -8.876 -3.009 793 HA ASP 102 HA ASP 102 8.907 -11.308 -1.818 794 1HB ASP 102 HB2 ASP 102 10.231 -8.905 -0.690 795 2HB ASP 102 HB1 ASP 102 8.737 -9.391 0.111 796 H ILE 103 HN ILE 103 8.517 -8.015 -3.002 797 HA ILE 103 HA ILE 103 6.573 -6.799 -3.572 798 HB ILE 103 HB ILE 103 5.478 -9.632 -3.556 799 1HG1 ILE 103 HG12 ILE 103 6.959 -7.967 -5.602 800 2HG1 ILE 103 HG11 ILE 103 7.360 -9.581 -5.017 801 1HG2 ILE 103 HG21 ILE 103 3.653 -8.044 -3.639 802 2HG2 ILE 103 HG22 ILE 103 3.896 -8.661 -5.271 803 3HG2 ILE 103 HG23 ILE 103 4.499 -7.062 -4.834 804 1HD1 ILE 103 HD11 ILE 103 6.352 -10.211 -6.974 805 2HD1 ILE 103 HD12 ILE 103 5.371 -8.748 -7.062 806 3HD1 ILE 103 HD13 ILE 103 4.892 -10.069 -5.995 807 H SER 104 HN SER 104 7.113 -7.895 -0.642 808 HA SER 104 HA SER 104 6.073 -7.547 1.449 809 1HB SER 104 HB2 SER 104 5.214 -5.459 1.349 810 2HB SER 104 HB1 SER 104 5.200 -5.579 -0.408 811 HG SER 104 HG SER 104 3.168 -6.416 1.395 812 H ASP 105 HN ASP 105 5.100 -9.358 2.283 813 HA ASP 105 HA ASP 105 3.149 -10.955 0.923 814 1HB ASP 105 HB2 ASP 105 4.774 -11.132 3.136 815 2HB ASP 105 HB1 ASP 105 3.177 -11.001 3.873 816 H ILE 106 HN ILE 106 2.623 -9.146 3.947 817 HA ILE 106 HA ILE 106 0.055 -8.088 2.878 818 HB ILE 106 HB ILE 106 0.033 -9.353 5.592 819 1HG1 ILE 106 HG12 ILE 106 -0.260 -10.963 3.033 820 2HG1 ILE 106 HG11 ILE 106 1.140 -11.042 4.104 821 1HG2 ILE 106 HG21 ILE 106 -1.899 -8.099 4.577 822 2HG2 ILE 106 HG22 ILE 106 -2.283 -9.761 5.025 823 3HG2 ILE 106 HG23 ILE 106 -1.990 -9.349 3.336 824 1HD1 ILE 106 HD11 ILE 106 -0.650 -11.513 5.964 825 2HD1 ILE 106 HD12 ILE 106 -0.158 -12.820 4.887 826 3HD1 ILE 106 HD13 ILE 106 -1.675 -11.967 4.603 827 H VAL 107 HN VAL 107 0.184 -5.914 3.334 828 HA VAL 107 HA VAL 107 1.673 -5.075 5.793 829 HB VAL 107 HB VAL 107 0.832 -3.421 3.402 830 1HG1 VAL 107 HG11 VAL 107 2.910 -3.137 5.579 831 2HG1 VAL 107 HG12 VAL 107 1.561 -2.058 5.225 832 3HG1 VAL 107 HG13 VAL 107 2.926 -2.157 4.112 833 1HG2 VAL 107 HG21 VAL 107 2.315 -4.547 2.132 834 2HG2 VAL 107 HG22 VAL 107 2.685 -5.614 3.486 835 3HG2 VAL 107 HG23 VAL 107 3.591 -4.116 3.270 836 H ASP 108 HN ASP 108 0.201 -4.793 7.468 837 HA ASP 108 HA ASP 108 -2.416 -3.496 6.816 838 1HB ASP 108 HB2 ASP 108 -1.978 -4.716 9.479 839 2HB ASP 108 HB1 ASP 108 -3.366 -4.838 8.397 840 H THR 109 HN THR 109 -2.553 -1.351 7.380 841 HA THR 109 HA THR 109 -1.274 -0.437 9.898 842 HB THR 109 HB THR 109 -0.298 1.483 8.363 843 HG1 THR 109 HG1 THR 109 -0.090 -0.611 6.529 844 1HG2 THR 109 HG21 THR 109 0.959 -0.265 9.710 845 2HG2 THR 109 HG22 THR 109 1.790 0.311 8.265 846 3HG2 THR 109 HG23 THR 109 0.981 -1.256 8.252 847 H ASP 110 HN ASP 110 -1.625 2.254 9.659 848 HA ASP 110 HA ASP 110 -4.284 2.819 10.173 849 1HB ASP 110 HB2 ASP 110 -2.529 4.441 10.489 850 2HB ASP 110 HB1 ASP 110 -2.143 4.441 8.768 851 H SER 111 HN SER 111 -6.016 3.727 8.834 852 HA SER 111 HA SER 111 -7.303 3.947 6.857 853 1HB SER 111 HB2 SER 111 -4.611 4.264 6.106 854 2HB SER 111 HB1 SER 111 -5.281 3.110 4.956 855 HG SER 111 HG SER 111 -5.535 5.630 4.787 856 H GLY 112 HN GLY 112 -4.970 1.238 6.563 857 1HA GLY 112 HA2 GLY 112 -6.712 -0.881 6.913 858 2HA GLY 112 HA1 GLY 112 -6.910 -0.448 5.215 859 H VAL 113 HN VAL 113 -5.928 -2.521 4.631 860 HA VAL 113 HA VAL 113 -3.066 -2.810 5.342 861 HB VAL 113 HB VAL 113 -3.359 -5.062 4.421 862 1HG1 VAL 113 HG11 VAL 113 -4.723 -5.862 6.124 863 2HG1 VAL 113 HG12 VAL 113 -5.924 -4.590 5.899 864 3HG1 VAL 113 HG13 VAL 113 -4.402 -4.231 6.715 865 1HG2 VAL 113 HG21 VAL 113 -5.354 -5.748 3.308 866 2HG2 VAL 113 HG22 VAL 113 -4.905 -4.212 2.565 867 3HG2 VAL 113 HG23 VAL 113 -6.200 -4.268 3.761 868 H HIS 114 HN HIS 114 -1.442 -2.461 3.903 869 HA HIS 114 HA HIS 114 -2.213 -1.569 1.145 870 1HB HIS 114 HB2 HIS 114 0.292 -0.878 2.682 871 2HB HIS 114 HB1 HIS 114 -0.433 0.002 1.348 872 HD1 HIS 114 HD1 HIS 114 -1.336 2.144 2.226 873 HD2 HIS 114 HD2 HIS 114 -1.961 -0.978 4.918 874 HE1 HIS 114 HE1 HIS 114 -2.579 3.135 4.196 875 H ILE 115 HN ILE 115 0.055 -1.592 -0.162 876 HA ILE 115 HA ILE 115 1.437 -4.212 0.218 877 HB ILE 115 HB ILE 115 1.005 -4.837 -2.034 878 1HG1 ILE 115 HG12 ILE 115 0.164 -1.957 -2.479 879 2HG1 ILE 115 HG11 ILE 115 1.607 -2.741 -3.118 880 1HG2 ILE 115 HG21 ILE 115 -1.465 -3.367 -1.060 881 2HG2 ILE 115 HG22 ILE 115 -1.022 -5.029 -0.669 882 3HG2 ILE 115 HG23 ILE 115 -1.449 -4.597 -2.324 883 1HD1 ILE 115 HD11 ILE 115 -0.247 -2.600 -4.794 884 2HD1 ILE 115 HD12 ILE 115 -1.229 -3.616 -3.739 885 3HD1 ILE 115 HD13 ILE 115 0.250 -4.257 -4.453 886 H ILE 116 HN ILE 116 3.547 -4.143 -1.223 887 HA ILE 116 HA ILE 116 4.430 -1.330 -1.681 888 HB ILE 116 HB ILE 116 5.389 -3.299 0.357 889 1HG1 ILE 116 HG12 ILE 116 5.820 -0.470 0.840 890 2HG1 ILE 116 HG11 ILE 116 4.161 -0.772 0.324 891 1HG2 ILE 116 HG21 ILE 116 7.543 -1.912 0.474 892 2HG2 ILE 116 HG22 ILE 116 7.145 -1.344 -1.147 893 3HG2 ILE 116 HG23 ILE 116 7.434 -3.059 -0.862 894 1HD1 ILE 116 HD11 ILE 116 4.401 -0.960 2.782 895 2HD1 ILE 116 HD12 ILE 116 5.587 -2.246 2.555 896 3HD1 ILE 116 HD13 ILE 116 3.913 -2.491 2.054 897 H LYS 117 HN LYS 117 6.318 -1.152 -3.014 898 HA LYS 117 HA LYS 117 7.596 -3.505 -4.192 899 1HB LYS 117 HB2 LYS 117 5.174 -3.089 -5.179 900 2HB LYS 117 HB1 LYS 117 5.989 -1.819 -6.093 901 1HG LYS 117 HG2 LYS 117 7.493 -3.385 -7.105 902 2HG LYS 117 HG1 LYS 117 6.994 -4.671 -6.005 903 1HD LYS 117 HD2 LYS 117 5.661 -5.256 -7.775 904 2HD LYS 117 HD1 LYS 117 4.592 -4.045 -7.065 905 1HE LYS 117 HE2 LYS 117 5.450 -2.330 -8.582 906 2HE LYS 117 HE1 LYS 117 6.632 -3.476 -9.247 907 1HZ LYS 117 HZ1 LYS 117 3.720 -4.028 -9.193 908 2HZ LYS 117 HZ2 LYS 117 4.924 -4.857 -10.060 909 3HZ LYS 117 HZ3 LYS 117 4.477 -3.282 -10.514 910 H ARG 118 HN ARG 118 9.633 -2.832 -4.868 911 HA ARG 118 HA ARG 118 10.071 0.120 -5.138 912 1HB ARG 118 HB2 ARG 118 11.264 -1.817 -3.559 913 2HB ARG 118 HB1 ARG 118 12.405 -1.648 -4.894 914 1HG ARG 118 HG2 ARG 118 11.271 0.773 -3.499 915 2HG ARG 118 HG1 ARG 118 12.691 -0.062 -2.870 916 1HD ARG 118 HD2 ARG 118 13.776 1.418 -4.279 917 2HD ARG 118 HD1 ARG 118 13.413 0.161 -5.479 918 HE ARG 118 HE ARG 118 11.190 1.998 -5.109 919 1HH1 ARG 118 HH11 ARG 118 14.296 1.608 -6.564 920 2HH1 ARG 118 HH12 ARG 118 13.918 2.589 -7.939 921 1HH2 ARG 118 HH21 ARG 118 10.662 3.220 -6.934 922 2HH2 ARG 118 HH22 ARG 118 11.864 3.501 -8.149 923 H THR 119 HN THR 119 11.909 -2.697 -6.352 924 HA THR 119 HA THR 119 11.788 -1.453 -9.080 925 HB THR 119 HB THR 119 14.028 -3.220 -8.697 926 HG1 THR 119 HG1 THR 119 14.848 -1.495 -7.043 927 1HG2 THR 119 HG21 THR 119 15.271 -1.067 -9.103 928 2HG2 THR 119 HG22 THR 119 13.721 -0.229 -9.040 929 3HG2 THR 119 HG23 THR 119 14.028 -1.420 -10.304 930 H ALA 120 HN ALA 120 10.660 -4.026 -7.312 931 HA ALA 120 HA ALA 120 11.166 -6.317 -8.925 932 1HB ALA 120 HB1 ALA 120 10.044 -6.003 -6.607 933 2HB ALA 120 HB2 ALA 120 9.400 -7.264 -7.658 934 3HB ALA 120 HB3 ALA 120 8.561 -5.719 -7.519 Start of MODEL 12 1 1H HIS 1 HT1 HIS 1 32.239 10.295 12.230 2 2H HIS 1 HT2 HIS 1 32.150 8.814 11.402 3 3H HIS 1 HT3 HIS 1 31.406 8.988 12.920 4 HA HIS 1 HA HIS 1 29.527 9.422 11.798 5 1HB HIS 1 HB2 HIS 1 29.340 11.789 11.281 6 2HB HIS 1 HB1 HIS 1 30.418 11.617 12.667 7 HD1 HIS 1 HD1 HIS 1 30.312 12.767 9.146 8 HD2 HIS 1 HD2 HIS 1 33.234 11.952 12.006 9 HE1 HIS 1 HE1 HIS 1 32.463 13.789 8.283 10 H MET 2 HN MET 2 28.552 10.149 9.599 11 HA MET 2 HA MET 2 28.452 9.924 7.245 12 1HB MET 2 HB2 MET 2 30.973 10.974 7.944 13 2HB MET 2 HB1 MET 2 31.304 9.696 6.774 14 1HG MET 2 HG2 MET 2 29.446 10.721 5.344 15 2HG MET 2 HG1 MET 2 29.518 12.110 6.427 16 1HE MET 2 HE1 MET 2 30.231 13.916 5.418 17 2HE MET 2 HE2 MET 2 30.116 13.324 3.763 18 3HE MET 2 HE3 MET 2 31.571 14.166 4.291 19 H ALA 3 HN ALA 3 28.364 8.142 5.832 20 HA ALA 3 HA ALA 3 30.121 5.848 6.033 21 1HB ALA 3 HB1 ALA 3 29.013 5.396 8.085 22 2HB ALA 3 HB2 ALA 3 28.183 4.368 6.916 23 3HB ALA 3 HB3 ALA 3 27.447 5.883 7.438 24 H SER 4 HN SER 4 26.657 5.471 5.621 25 HA SER 4 HA SER 4 27.035 5.401 2.646 26 1HB SER 4 HB2 SER 4 26.947 3.174 4.003 27 2HB SER 4 HB1 SER 4 25.233 3.534 4.186 28 HG SER 4 HG SER 4 26.626 2.652 2.011 29 H ARG 5 HN ARG 5 24.326 4.754 2.099 30 HA ARG 5 HA ARG 5 22.845 7.088 3.262 31 1HB ARG 5 HB2 ARG 5 23.077 6.127 0.395 32 2HB ARG 5 HB1 ARG 5 21.922 7.350 0.923 33 1HG ARG 5 HG2 ARG 5 24.105 8.450 1.977 34 2HG ARG 5 HG1 ARG 5 24.898 7.524 0.701 35 1HD ARG 5 HD2 ARG 5 23.786 8.692 -1.015 36 2HD ARG 5 HD1 ARG 5 22.490 9.234 0.069 37 HE ARG 5 HE ARG 5 24.917 10.657 -0.340 38 1HH1 ARG 5 HH21 ARG 5 22.588 11.822 1.097 39 2HH1 ARG 5 HH22 ARG 5 23.187 11.986 2.714 40 1HH2 ARG 5 HH11 ARG 5 25.860 9.832 2.226 41 2HH2 ARG 5 HH12 ARG 5 25.041 10.861 3.352 42 H ASP 6 HN ASP 6 20.400 6.807 2.587 43 HA ASP 6 HA ASP 6 19.628 3.921 2.731 44 1HB ASP 6 HB2 ASP 6 19.168 6.188 4.593 45 2HB ASP 6 HB1 ASP 6 17.776 5.149 4.298 46 H GLN 7 HN GLN 7 17.307 6.493 3.121 47 HA GLN 7 HA GLN 7 15.523 7.183 1.744 48 1HB GLN 7 HB2 GLN 7 17.844 7.802 0.556 49 2HB GLN 7 HB1 GLN 7 17.242 6.660 -0.646 50 1HG GLN 7 HG2 GLN 7 15.094 7.948 -0.717 51 2HG GLN 7 HG1 GLN 7 15.821 9.142 0.359 52 1HE2 GLN 7 HE21 GLN 7 16.162 10.919 -1.026 53 2HE2 GLN 7 HE22 GLN 7 17.039 10.840 -2.477 54 H VAL 8 HN VAL 8 13.812 5.786 1.506 55 HA VAL 8 HA VAL 8 14.299 3.272 -0.059 56 HB VAL 8 HB VAL 8 13.714 2.710 2.161 57 1HG1 VAL 8 HG11 VAL 8 11.687 4.950 1.952 58 2HG1 VAL 8 HG12 VAL 8 13.111 4.895 2.992 59 3HG1 VAL 8 HG13 VAL 8 11.752 3.815 3.301 60 1HG2 VAL 8 HG21 VAL 8 11.968 1.352 1.666 61 2HG2 VAL 8 HG22 VAL 8 11.951 2.138 0.087 62 3HG2 VAL 8 HG23 VAL 8 10.894 2.720 1.373 63 H LYS 9 HN LYS 9 13.608 3.753 -2.154 64 HA LYS 9 HA LYS 9 11.273 5.442 -2.650 65 1HB LYS 9 HB2 LYS 9 12.972 3.621 -4.389 66 2HB LYS 9 HB1 LYS 9 11.700 4.674 -4.996 67 1HG LYS 9 HG2 LYS 9 13.194 6.355 -3.405 68 2HG LYS 9 HG1 LYS 9 14.418 5.353 -4.165 69 1HD LYS 9 HD2 LYS 9 12.478 7.272 -5.419 70 2HD LYS 9 HD1 LYS 9 14.195 7.063 -5.730 71 1HE LYS 9 HE2 LYS 9 11.970 5.189 -6.613 72 2HE LYS 9 HE1 LYS 9 12.966 6.222 -7.647 73 1HZ LYS 9 HZ1 LYS 9 14.931 5.071 -6.947 74 2HZ LYS 9 HZ2 LYS 9 13.814 3.917 -7.501 75 3HZ LYS 9 HZ3 LYS 9 14.058 4.135 -5.835 76 H ALA 10 HN ALA 10 9.334 4.465 -3.902 77 HA ALA 10 HA ALA 10 8.883 1.641 -3.986 78 1HB ALA 10 HB1 ALA 10 8.890 2.831 -1.379 79 2HB ALA 10 HB2 ALA 10 8.626 1.141 -1.811 80 3HB ALA 10 HB3 ALA 10 7.262 2.255 -1.733 81 H SER 11 HN SER 11 6.698 1.039 -4.405 82 HA SER 11 HA SER 11 4.887 3.305 -5.146 83 1HB SER 11 HB2 SER 11 4.084 0.957 -6.450 84 2HB SER 11 HB1 SER 11 5.016 2.252 -7.177 85 HG SER 11 HG SER 11 6.352 0.596 -7.410 86 H HIS 12 HN HIS 12 2.399 2.299 -5.045 87 HA HIS 12 HA HIS 12 2.090 0.142 -3.118 88 1HB HIS 12 HB2 HIS 12 1.681 1.370 -1.129 89 2HB HIS 12 HB1 HIS 12 3.130 2.086 -1.830 90 HD1 HIS 12 HD1 HIS 12 0.942 3.554 0.042 91 HD2 HIS 12 HD2 HIS 12 1.347 3.939 -4.090 92 HE1 HIS 12 HE1 HIS 12 -0.117 5.770 -0.578 93 H ILE 13 HN ILE 13 -0.131 0.075 -2.129 94 HA ILE 13 HA ILE 13 -2.276 1.455 -3.669 95 HB ILE 13 HB ILE 13 -1.722 -1.528 -3.496 96 1HG1 ILE 13 HG12 ILE 13 -1.952 0.497 -5.731 97 2HG1 ILE 13 HG11 ILE 13 -0.595 -0.563 -5.357 98 1HG2 ILE 13 HG21 ILE 13 -4.229 -0.087 -4.403 99 2HG2 ILE 13 HG22 ILE 13 -4.090 -1.201 -3.043 100 3HG2 ILE 13 HG23 ILE 13 -3.905 -1.794 -4.693 101 1HD1 ILE 13 HD11 ILE 13 -1.813 -1.437 -7.295 102 2HD1 ILE 13 HD12 ILE 13 -3.317 -1.438 -6.374 103 3HD1 ILE 13 HD13 ILE 13 -2.008 -2.533 -5.927 104 H LEU 14 HN LEU 14 -4.491 0.712 -2.604 105 HA LEU 14 HA LEU 14 -4.132 -0.062 0.259 106 1HB LEU 14 HB2 LEU 14 -4.105 2.342 0.295 107 2HB LEU 14 HB1 LEU 14 -5.451 2.435 -0.839 108 HG LEU 14 HG LEU 14 -6.500 0.896 1.208 109 1HD1 LEU 14 HD11 LEU 14 -5.960 1.995 3.296 110 2HD1 LEU 14 HD12 LEU 14 -4.893 3.129 2.468 111 3HD1 LEU 14 HD13 LEU 14 -4.461 1.422 2.565 112 1HD2 LEU 14 HD21 LEU 14 -7.143 3.187 -0.108 113 2HD2 LEU 14 HD22 LEU 14 -6.806 3.827 1.499 114 3HD2 LEU 14 HD23 LEU 14 -8.038 2.586 1.285 115 H ILE 15 HN ILE 15 -5.512 -1.773 0.549 116 HA ILE 15 HA ILE 15 -7.890 -2.060 -1.195 117 HB ILE 15 HB ILE 15 -6.487 -3.797 0.851 118 1HG1 ILE 15 HG12 ILE 15 -6.726 -3.768 -2.167 119 2HG1 ILE 15 HG11 ILE 15 -5.257 -3.673 -1.196 120 1HG2 ILE 15 HG21 ILE 15 -8.040 -5.587 0.171 121 2HG2 ILE 15 HG22 ILE 15 -8.904 -4.452 -0.866 122 3HG2 ILE 15 HG23 ILE 15 -8.926 -4.239 0.885 123 1HD1 ILE 15 HD11 ILE 15 -6.779 -6.032 -2.055 124 2HD1 ILE 15 HD12 ILE 15 -6.395 -6.040 -0.334 125 3HD1 ILE 15 HD13 ILE 15 -5.100 -5.910 -1.526 126 H LYS 16 HN LYS 16 -10.016 -2.017 -0.401 127 HA LYS 16 HA LYS 16 -10.488 -0.506 2.042 128 1HB LYS 16 HB2 LYS 16 -12.820 -0.717 1.336 129 2HB LYS 16 HB1 LYS 16 -11.820 -0.378 -0.076 130 1HG LYS 16 HG2 LYS 16 -11.694 -2.957 -0.342 131 2HG LYS 16 HG1 LYS 16 -13.082 -2.988 0.747 132 1HD LYS 16 HD2 LYS 16 -14.236 -1.366 -0.801 133 2HD LYS 16 HD1 LYS 16 -12.895 -1.577 -1.929 134 1HE LYS 16 HE2 LYS 16 -14.338 -4.003 -0.873 135 2HE LYS 16 HE1 LYS 16 -15.019 -3.082 -2.229 136 1HZ LYS 16 HZ1 LYS 16 -13.201 -3.480 -3.545 137 2HZ LYS 16 HZ2 LYS 16 -13.257 -4.937 -2.673 138 3HZ LYS 16 HZ3 LYS 16 -12.153 -3.723 -2.234 139 H HIS 17 HN HIS 17 -11.559 -1.298 3.945 140 HA HIS 17 HA HIS 17 -12.284 -4.098 4.252 141 1HB HIS 17 HB2 HIS 17 -10.414 -4.752 5.660 142 2HB HIS 17 HB1 HIS 17 -9.768 -4.124 4.147 143 HD1 HIS 17 HD1 HIS 17 -10.753 -1.132 5.605 144 HD2 HIS 17 HD2 HIS 17 -7.704 -3.811 6.556 145 HE1 HIS 17 HE1 HIS 17 -9.052 0.169 6.951 146 H GLN 18 HN GLN 18 -12.243 -4.478 6.893 147 HA GLN 18 HA GLN 18 -14.258 -2.840 7.975 148 1HB GLN 18 HB2 GLN 18 -14.014 -4.814 9.116 149 2HB GLN 18 HB1 GLN 18 -12.272 -4.835 8.918 150 1HG GLN 18 HG2 GLN 18 -13.524 -2.785 10.722 151 2HG GLN 18 HG1 GLN 18 -13.343 -4.437 11.300 152 1HE2 GLN 18 HE21 GLN 18 -10.726 -4.445 9.421 153 2HE2 GLN 18 HE22 GLN 18 -9.586 -3.711 10.431 154 H GLY 19 HN GLY 19 -10.732 -2.620 8.447 155 1HA GLY 19 HA2 GLY 19 -9.466 -0.934 9.540 156 2HA GLY 19 HA1 GLY 19 -10.330 0.078 8.383 157 H SER 20 HN SER 20 -10.919 1.862 9.547 158 HA SER 20 HA SER 20 -12.859 1.512 11.737 159 1HB SER 20 HB2 SER 20 -10.232 1.510 12.410 160 2HB SER 20 HB1 SER 20 -10.543 3.243 12.428 161 HG SER 20 HG SER 20 -11.704 1.184 13.959 162 H ARG 21 HN ARG 21 -13.106 2.687 9.152 163 HA ARG 21 HA ARG 21 -13.656 5.518 9.928 164 1HB ARG 21 HB2 ARG 21 -11.928 4.433 7.720 165 2HB ARG 21 HB1 ARG 21 -12.765 5.968 7.485 166 1HG ARG 21 HG2 ARG 21 -11.700 6.194 10.044 167 2HG ARG 21 HG1 ARG 21 -10.432 5.366 9.139 168 1HD ARG 21 HD2 ARG 21 -9.845 7.391 8.297 169 2HD ARG 21 HD1 ARG 21 -11.384 7.389 7.412 170 HE ARG 21 HE ARG 21 -12.398 8.621 9.250 171 1HH1 ARG 21 HH21 ARG 21 -9.759 10.083 8.704 172 2HH1 ARG 21 HH22 ARG 21 -9.183 10.332 10.318 173 1HH2 ARG 21 HH11 ARG 21 -11.354 8.023 11.729 174 2HH2 ARG 21 HH12 ARG 21 -10.086 9.164 12.032 175 H ARG 22 HN ARG 22 -15.209 6.544 8.368 176 HA ARG 22 HA ARG 22 -17.297 4.628 7.573 177 1HB ARG 22 HB2 ARG 22 -18.582 6.680 7.217 178 2HB ARG 22 HB1 ARG 22 -17.698 6.809 8.739 179 1HG ARG 22 HG2 ARG 22 -15.833 7.871 7.178 180 2HG ARG 22 HG1 ARG 22 -17.218 8.221 6.143 181 1HD ARG 22 HD2 ARG 22 -17.570 8.853 9.030 182 2HD ARG 22 HD1 ARG 22 -16.451 9.892 8.125 183 HE ARG 22 HE ARG 22 -18.731 9.514 6.493 184 1HH1 ARG 22 HH11 ARG 22 -17.828 12.229 7.053 185 2HH1 ARG 22 HH12 ARG 22 -19.063 12.865 8.087 186 1HH2 ARG 22 HH21 ARG 22 -20.352 9.751 8.902 187 2HH2 ARG 22 HH22 ARG 22 -20.494 11.461 9.133 188 H LYS 23 HN LYS 23 -14.541 5.201 6.091 189 HA LYS 23 HA LYS 23 -13.814 5.330 3.843 190 1HB LYS 23 HB2 LYS 23 -16.316 3.716 4.023 191 2HB LYS 23 HB1 LYS 23 -15.740 4.119 2.405 192 1HG LYS 23 HG2 LYS 23 -13.906 2.779 2.581 193 2HG LYS 23 HG1 LYS 23 -13.647 3.193 4.276 194 1HD LYS 23 HD2 LYS 23 -15.946 1.439 3.403 195 2HD LYS 23 HD1 LYS 23 -14.356 0.772 3.774 196 1HE LYS 23 HE2 LYS 23 -15.469 2.663 5.786 197 2HE LYS 23 HE1 LYS 23 -16.261 1.080 5.669 198 1HZ LYS 23 HZ1 LYS 23 -13.717 1.698 6.741 199 2HZ LYS 23 HZ2 LYS 23 -13.529 0.632 5.432 200 3HZ LYS 23 HZ3 LYS 23 -14.532 0.212 6.736 201 H ALA 24 HN ALA 24 -14.025 7.702 3.762 202 HA ALA 24 HA ALA 24 -15.622 8.640 1.567 203 1HB ALA 24 HB1 ALA 24 -17.426 8.272 3.201 204 2HB ALA 24 HB2 ALA 24 -17.228 9.998 2.899 205 3HB ALA 24 HB3 ALA 24 -16.583 9.281 4.376 206 H SER 25 HN SER 25 -14.079 10.063 0.829 207 HA SER 25 HA SER 25 -13.120 12.177 2.710 208 1HB SER 25 HB2 SER 25 -11.257 10.788 0.793 209 2HB SER 25 HB1 SER 25 -10.863 11.684 2.257 210 HG SER 25 HG SER 25 -11.901 9.989 3.434 211 H TRP 26 HN TRP 26 -13.464 11.036 -0.644 212 HA TRP 26 HA TRP 26 -12.685 13.508 -1.907 213 1HB TRP 26 HB2 TRP 26 -13.758 10.885 -2.578 214 2HB TRP 26 HB1 TRP 26 -14.485 12.148 -3.572 215 HD1 TRP 26 HD1 TRP 26 -12.070 9.893 -4.281 216 HE1 TRP 26 HE1 TRP 26 -9.995 10.828 -5.495 217 HE3 TRP 26 HE3 TRP 26 -12.584 14.857 -3.207 218 HZ2 TRP 26 HZ2 TRP 26 -8.723 13.352 -5.951 219 HZ3 TRP 26 HZ3 TRP 26 -10.930 16.503 -4.042 220 HH2 TRP 26 HH2 TRP 26 -9.002 15.757 -5.410 221 H LYS 27 HN LYS 27 -14.597 14.433 -3.505 222 HA LYS 27 HA LYS 27 -16.914 15.111 -1.719 223 1HB LYS 27 HB2 LYS 27 -15.553 16.939 -3.718 224 2HB LYS 27 HB1 LYS 27 -16.702 17.392 -2.461 225 1HG LYS 27 HG2 LYS 27 -15.109 17.420 -0.838 226 2HG LYS 27 HG1 LYS 27 -14.295 15.990 -1.472 227 1HD LYS 27 HD2 LYS 27 -13.160 17.270 -3.151 228 2HD LYS 27 HD1 LYS 27 -14.151 18.692 -2.826 229 1HE LYS 27 HE2 LYS 27 -12.315 17.443 -0.753 230 2HE LYS 27 HE1 LYS 27 -11.845 18.806 -1.788 231 1HZ LYS 27 HZ1 LYS 27 -14.436 19.224 -0.712 232 2HZ LYS 27 HZ2 LYS 27 -13.047 20.190 -0.554 233 3HZ LYS 27 HZ3 LYS 27 -13.336 18.928 0.545 234 H ASP 28 HN ASP 28 -17.847 13.218 -3.085 235 HA ASP 28 HA ASP 28 -19.684 14.168 -5.013 236 1HB ASP 28 HB2 ASP 28 -16.963 13.895 -5.937 237 2HB ASP 28 HB1 ASP 28 -18.001 12.774 -6.818 238 HA PRO 29 HA PRO 29 -19.419 9.422 -5.519 239 1HB PRO 29 HB2 PRO 29 -17.236 8.130 -4.490 240 2HB PRO 29 HB1 PRO 29 -17.285 8.785 -6.139 241 1HG PRO 29 HG2 PRO 29 -16.027 9.916 -3.691 242 2HG PRO 29 HG1 PRO 29 -15.448 9.921 -5.364 243 1HD PRO 29 HD2 PRO 29 -16.611 12.078 -4.166 244 2HD PRO 29 HD1 PRO 29 -16.663 11.777 -5.918 245 H GLU 30 HN GLU 30 -20.614 8.174 -4.089 246 HA GLU 30 HA GLU 30 -19.939 8.241 -1.187 247 1HB GLU 30 HB2 GLU 30 -22.116 9.624 -2.560 248 2HB GLU 30 HB1 GLU 30 -22.713 8.546 -1.297 249 1HG GLU 30 HG2 GLU 30 -21.509 9.649 0.393 250 2HG GLU 30 HG1 GLU 30 -20.395 10.391 -0.757 251 H GLY 31 HN GLY 31 -22.858 7.204 -2.965 252 1HA GLY 31 HA2 GLY 31 -23.686 5.029 -3.372 253 2HA GLY 31 HA1 GLY 31 -22.123 4.384 -2.864 254 H LYS 32 HN LYS 32 -23.767 2.815 -1.793 255 HA LYS 32 HA LYS 32 -24.784 3.917 0.792 256 1HB LYS 32 HB2 LYS 32 -25.340 1.408 -0.819 257 2HB LYS 32 HB1 LYS 32 -26.037 1.709 0.774 258 1HG LYS 32 HG2 LYS 32 -27.708 2.726 -0.386 259 2HG LYS 32 HG1 LYS 32 -26.573 4.071 -0.507 260 1HD LYS 32 HD2 LYS 32 -26.132 1.983 -2.526 261 2HD LYS 32 HD1 LYS 32 -27.707 2.768 -2.656 262 1HE LYS 32 HE2 LYS 32 -25.820 4.835 -2.153 263 2HE LYS 32 HE1 LYS 32 -25.139 3.810 -3.433 264 1HZ LYS 32 HZ1 LYS 32 -26.723 5.531 -4.252 265 2HZ LYS 32 HZ2 LYS 32 -27.957 4.742 -3.391 266 3HZ LYS 32 HZ3 LYS 32 -27.157 3.943 -4.659 267 H ILE 33 HN ILE 33 -24.822 1.475 2.213 268 HA ILE 33 HA ILE 33 -21.905 1.135 2.742 269 HB ILE 33 HB ILE 33 -24.436 0.678 4.341 270 1HG1 ILE 33 HG12 ILE 33 -22.120 2.626 4.490 271 2HG1 ILE 33 HG11 ILE 33 -23.826 3.000 4.236 272 1HG2 ILE 33 HG21 ILE 33 -22.724 -1.070 4.832 273 2HG2 ILE 33 HG22 ILE 33 -22.996 0.008 6.201 274 3HG2 ILE 33 HG23 ILE 33 -21.562 0.207 5.193 275 1HD1 ILE 33 HD11 ILE 33 -23.329 3.484 6.544 276 2HD1 ILE 33 HD12 ILE 33 -22.543 1.919 6.758 277 3HD1 ILE 33 HD13 ILE 33 -24.288 2.004 6.515 278 H ILE 34 HN ILE 34 -20.938 -0.821 2.418 279 HA ILE 34 HA ILE 34 -22.623 -3.266 2.128 280 HB ILE 34 HB ILE 34 -22.296 -2.260 -0.104 281 1HG1 ILE 34 HG12 ILE 34 -20.445 -4.334 -0.660 282 2HG1 ILE 34 HG11 ILE 34 -21.405 -4.878 0.716 283 1HG2 ILE 34 HG21 ILE 34 -19.355 -2.464 0.613 284 2HG2 ILE 34 HG22 ILE 34 -20.270 -0.980 0.344 285 3HG2 ILE 34 HG23 ILE 34 -19.968 -2.084 -0.997 286 1HD1 ILE 34 HD11 ILE 34 -22.663 -3.681 -1.759 287 2HD1 ILE 34 HD12 ILE 34 -23.455 -4.592 -0.473 288 3HD1 ILE 34 HD13 ILE 34 -22.366 -5.411 -1.592 289 H LEU 35 HN LEU 35 -21.077 -2.670 4.358 290 HA LEU 35 HA LEU 35 -18.403 -3.251 4.561 291 1HB LEU 35 HB2 LEU 35 -20.835 -3.747 6.162 292 2HB LEU 35 HB1 LEU 35 -19.445 -4.735 6.614 293 HG LEU 35 HG LEU 35 -18.058 -2.734 6.850 294 1HD1 LEU 35 HD11 LEU 35 -19.461 -1.512 5.034 295 2HD1 LEU 35 HD12 LEU 35 -18.816 -0.556 6.369 296 3HD1 LEU 35 HD13 LEU 35 -20.510 -1.047 6.373 297 1HD2 LEU 35 HD21 LEU 35 -20.170 -1.620 8.427 298 2HD2 LEU 35 HD22 LEU 35 -18.829 -2.634 8.964 299 3HD2 LEU 35 HD23 LEU 35 -20.343 -3.375 8.445 300 H THR 36 HN THR 36 -17.134 -4.881 3.833 301 HA THR 36 HA THR 36 -18.234 -7.653 3.723 302 HB THR 36 HB THR 36 -18.516 -7.057 1.481 303 HG1 THR 36 HG1 THR 36 -16.974 -8.771 1.695 304 1HG2 THR 36 HG21 THR 36 -16.383 -5.697 0.460 305 2HG2 THR 36 HG22 THR 36 -16.411 -5.080 2.112 306 3HG2 THR 36 HG23 THR 36 -17.837 -4.919 1.087 307 H THR 37 HN THR 37 -15.207 -6.755 2.218 308 HA THR 37 HA THR 37 -13.547 -8.555 3.526 309 HB THR 37 HB THR 37 -13.070 -5.732 2.527 310 HG1 THR 37 HG1 THR 37 -11.981 -7.192 0.896 311 1HG2 THR 37 HG21 THR 37 -10.688 -7.296 2.456 312 2HG2 THR 37 HG22 THR 37 -11.322 -7.360 4.101 313 3HG2 THR 37 HG23 THR 37 -10.982 -5.802 3.347 314 H THR 38 HN THR 38 -12.239 -8.444 5.456 315 HA THR 38 HA THR 38 -12.881 -6.207 7.334 316 HB THR 38 HB THR 38 -13.052 -8.023 9.101 317 HG1 THR 38 HG1 THR 38 -12.015 -9.652 7.933 318 1HG2 THR 38 HG21 THR 38 -15.229 -7.597 8.752 319 2HG2 THR 38 HG22 THR 38 -15.248 -8.908 7.572 320 3HG2 THR 38 HG23 THR 38 -14.932 -7.254 7.047 321 H ARG 39 HN ARG 39 -11.404 -6.939 9.485 322 HA ARG 39 HA ARG 39 -8.754 -6.248 8.913 323 1HB ARG 39 HB2 ARG 39 -9.597 -6.183 11.146 324 2HB ARG 39 HB1 ARG 39 -10.057 -7.884 11.097 325 1HG ARG 39 HG2 ARG 39 -7.528 -8.348 10.751 326 2HG ARG 39 HG1 ARG 39 -7.295 -6.693 11.316 327 1HD ARG 39 HD2 ARG 39 -8.595 -7.246 13.380 328 2HD ARG 39 HD1 ARG 39 -8.693 -8.930 12.826 329 HE ARG 39 HE ARG 39 -5.967 -7.969 12.744 330 1HH1 ARG 39 HH21 ARG 39 -7.884 -7.789 15.414 331 2HH1 ARG 39 HH22 ARG 39 -7.068 -9.005 16.339 332 1HH2 ARG 39 HH11 ARG 39 -5.149 -10.121 13.678 333 2HH2 ARG 39 HH12 ARG 39 -5.521 -10.324 15.357 334 H GLU 40 HN GLU 40 -9.824 -9.570 9.701 335 HA GLU 40 HA GLU 40 -7.409 -10.840 8.837 336 1HB GLU 40 HB2 GLU 40 -9.216 -11.747 10.342 337 2HB GLU 40 HB1 GLU 40 -10.236 -11.938 8.916 338 1HG GLU 40 HG2 GLU 40 -8.732 -13.527 7.939 339 2HG GLU 40 HG1 GLU 40 -7.481 -13.171 9.130 340 H ALA 41 HN ALA 41 -10.616 -10.911 7.231 341 HA ALA 41 HA ALA 41 -9.946 -12.019 4.785 342 1HB ALA 41 HB1 ALA 41 -11.645 -9.849 4.206 343 2HB ALA 41 HB2 ALA 41 -11.959 -10.244 5.896 344 3HB ALA 41 HB3 ALA 41 -12.143 -11.481 4.652 345 H ALA 42 HN ALA 42 -9.647 -8.579 5.671 346 HA ALA 42 HA ALA 42 -8.664 -7.493 3.293 347 1HB ALA 42 HB1 ALA 42 -7.922 -7.015 6.192 348 2HB ALA 42 HB2 ALA 42 -9.143 -6.159 5.252 349 3HB ALA 42 HB3 ALA 42 -7.432 -5.938 4.884 350 H VAL 43 HN VAL 43 -6.658 -8.837 5.931 351 HA VAL 43 HA VAL 43 -4.159 -8.739 4.599 352 HB VAL 43 HB VAL 43 -5.261 -10.770 6.575 353 1HG1 VAL 43 HG11 VAL 43 -2.380 -9.938 6.352 354 2HG1 VAL 43 HG12 VAL 43 -3.013 -11.192 5.285 355 3HG1 VAL 43 HG13 VAL 43 -3.061 -11.415 7.034 356 1HG2 VAL 43 HG21 VAL 43 -4.493 -9.299 8.299 357 2HG2 VAL 43 HG22 VAL 43 -5.390 -8.283 7.172 358 3HG2 VAL 43 HG23 VAL 43 -3.627 -8.286 7.144 359 H GLU 44 HN GLU 44 -6.689 -11.237 4.574 360 HA GLU 44 HA GLU 44 -5.297 -13.149 2.949 361 1HB GLU 44 HB2 GLU 44 -7.960 -12.624 4.025 362 2HB GLU 44 HB1 GLU 44 -8.041 -13.340 2.416 363 1HG GLU 44 HG2 GLU 44 -7.151 -15.329 3.108 364 2HG GLU 44 HG1 GLU 44 -6.072 -14.558 4.272 365 H GLN 45 HN GLN 45 -7.662 -10.607 2.130 366 HA GLN 45 HA GLN 45 -7.721 -10.916 -0.677 367 1HB GLN 45 HB2 GLN 45 -8.422 -8.977 1.358 368 2HB GLN 45 HB1 GLN 45 -7.783 -8.149 -0.061 369 1HG GLN 45 HG2 GLN 45 -10.204 -8.445 -0.294 370 2HG GLN 45 HG1 GLN 45 -9.363 -9.432 -1.491 371 1HE2 GLN 45 HE21 GLN 45 -9.949 -10.032 2.016 372 2HE2 GLN 45 HE22 GLN 45 -10.742 -11.514 1.779 373 H LEU 46 HN LEU 46 -5.310 -9.483 1.435 374 HA LEU 46 HA LEU 46 -3.754 -8.319 -0.773 375 1HB LEU 46 HB2 LEU 46 -3.931 -8.208 2.121 376 2HB LEU 46 HB1 LEU 46 -2.258 -8.428 1.613 377 HG LEU 46 HG LEU 46 -3.249 -6.534 -0.175 378 1HD1 LEU 46 HD11 LEU 46 -4.778 -6.479 2.303 379 2HD1 LEU 46 HD12 LEU 46 -5.024 -5.556 0.820 380 3HD1 LEU 46 HD13 LEU 46 -3.906 -4.968 2.050 381 1HD2 LEU 46 HD21 LEU 46 -1.586 -5.167 0.753 382 2HD2 LEU 46 HD22 LEU 46 -1.047 -6.776 1.236 383 3HD2 LEU 46 HD23 LEU 46 -1.890 -5.745 2.391 384 H LYS 47 HN LYS 47 -3.308 -10.934 1.620 385 HA LYS 47 HA LYS 47 -0.856 -11.991 0.868 386 1HB LYS 47 HB2 LYS 47 -3.169 -12.783 2.297 387 2HB LYS 47 HB1 LYS 47 -2.801 -14.108 1.191 388 1HG LYS 47 HG2 LYS 47 -1.085 -14.748 2.495 389 2HG LYS 47 HG1 LYS 47 -0.342 -13.158 2.318 390 1HD LYS 47 HD2 LYS 47 -0.740 -13.638 4.691 391 2HD LYS 47 HD1 LYS 47 -1.771 -12.307 4.164 392 1HE LYS 47 HE2 LYS 47 -3.200 -13.768 5.424 393 2HE LYS 47 HE1 LYS 47 -3.573 -14.107 3.722 394 1HZ LYS 47 HZ1 LYS 47 -3.149 -16.169 4.882 395 2HZ LYS 47 HZ2 LYS 47 -1.647 -15.595 5.430 396 3HZ LYS 47 HZ3 LYS 47 -1.898 -15.879 3.774 397 H SER 48 HN SER 48 -3.975 -12.425 -0.768 398 HA SER 48 HA SER 48 -2.862 -14.201 -2.829 399 1HB SER 48 HB2 SER 48 -5.500 -12.815 -2.305 400 2HB SER 48 HB1 SER 48 -5.226 -13.768 -3.760 401 HG SER 48 HG SER 48 -4.688 -15.527 -2.380 402 H ILE 49 HN ILE 49 -3.562 -10.765 -2.437 403 HA ILE 49 HA ILE 49 -3.396 -10.043 -5.216 404 HB ILE 49 HB ILE 49 -4.090 -8.837 -2.864 405 1HG1 ILE 49 HG12 ILE 49 -4.927 -8.138 -5.003 406 2HG1 ILE 49 HG11 ILE 49 -4.189 -6.723 -4.252 407 1HG2 ILE 49 HG21 ILE 49 -1.415 -7.668 -3.692 408 2HG2 ILE 49 HG22 ILE 49 -1.788 -8.441 -2.152 409 3HG2 ILE 49 HG23 ILE 49 -2.540 -6.904 -2.570 410 1HD1 ILE 49 HD11 ILE 49 -2.030 -7.670 -5.536 411 2HD1 ILE 49 HD12 ILE 49 -3.176 -6.578 -6.314 412 3HD1 ILE 49 HD13 ILE 49 -3.278 -8.315 -6.602 413 H ARG 50 HN ARG 50 -0.972 -10.057 -2.594 414 HA ARG 50 HA ARG 50 1.234 -9.213 -4.262 415 1HB ARG 50 HB2 ARG 50 2.554 -9.830 -2.337 416 2HB ARG 50 HB1 ARG 50 1.032 -9.195 -1.713 417 1HG ARG 50 HG2 ARG 50 1.171 -11.149 -0.482 418 2HG ARG 50 HG1 ARG 50 0.303 -11.749 -1.894 419 1HD ARG 50 HD2 ARG 50 2.107 -12.959 -2.653 420 2HD ARG 50 HD1 ARG 50 3.279 -11.758 -2.074 421 HE ARG 50 HE ARG 50 1.775 -13.339 -0.051 422 1HH1 ARG 50 HH11 ARG 50 4.599 -13.103 -1.969 423 2HH1 ARG 50 HH12 ARG 50 5.672 -13.616 -0.710 424 1HH2 ARG 50 HH21 ARG 50 3.193 -13.759 1.708 425 2HH2 ARG 50 HH22 ARG 50 4.876 -13.989 1.371 426 H GLU 51 HN GLU 51 -0.351 -12.243 -3.563 427 HA GLU 51 HA GLU 51 1.675 -14.009 -4.683 428 1HB GLU 51 HB2 GLU 51 0.123 -14.895 -3.117 429 2HB GLU 51 HB1 GLU 51 -1.242 -14.127 -3.902 430 1HG GLU 51 HG2 GLU 51 -0.930 -16.673 -4.246 431 2HG GLU 51 HG1 GLU 51 -1.266 -15.683 -5.663 432 H ASP 52 HN ASP 52 -1.508 -12.875 -5.766 433 HA ASP 52 HA ASP 52 -1.468 -13.895 -8.410 434 1HB ASP 52 HB2 ASP 52 -2.933 -11.996 -6.804 435 2HB ASP 52 HB1 ASP 52 -2.663 -11.301 -8.404 436 H ILE 53 HN ILE 53 -0.367 -10.712 -7.200 437 HA ILE 53 HA ILE 53 0.733 -9.815 -9.701 438 HB ILE 53 HB ILE 53 1.247 -9.135 -6.790 439 1HG1 ILE 53 HG12 ILE 53 -0.356 -7.805 -8.999 440 2HG1 ILE 53 HG11 ILE 53 -1.012 -8.623 -7.580 441 1HG2 ILE 53 HG21 ILE 53 3.120 -8.600 -8.539 442 2HG2 ILE 53 HG22 ILE 53 2.585 -7.322 -7.448 443 3HG2 ILE 53 HG23 ILE 53 1.995 -7.367 -9.109 444 1HD1 ILE 53 HD11 ILE 53 -0.869 -6.069 -7.443 445 2HD1 ILE 53 HD12 ILE 53 0.881 -6.275 -7.355 446 3HD1 ILE 53 HD13 ILE 53 -0.152 -6.961 -6.101 447 H VAL 54 HN VAL 54 1.789 -12.054 -7.289 448 HA VAL 54 HA VAL 54 4.640 -11.918 -7.804 449 HB VAL 54 HB VAL 54 2.714 -13.320 -6.137 450 1HG1 VAL 54 HG11 VAL 54 4.918 -14.971 -7.391 451 2HG1 VAL 54 HG12 VAL 54 3.197 -15.347 -7.319 452 3HG1 VAL 54 HG13 VAL 54 4.171 -15.390 -5.849 453 1HG2 VAL 54 HG21 VAL 54 4.491 -13.263 -4.552 454 2HG2 VAL 54 HG22 VAL 54 4.626 -11.778 -5.494 455 3HG2 VAL 54 HG23 VAL 54 5.709 -13.131 -5.820 456 H SER 55 HN SER 55 2.027 -14.111 -8.845 457 HA SER 55 HA SER 55 3.834 -15.447 -10.784 458 1HB SER 55 HB2 SER 55 1.459 -16.026 -9.283 459 2HB SER 55 HB1 SER 55 1.101 -16.242 -10.993 460 HG SER 55 HG SER 55 3.544 -17.234 -10.189 461 H GLY 56 HN GLY 56 1.747 -12.786 -10.678 462 1HA GLY 56 HA2 GLY 56 1.817 -12.533 -13.619 463 2HA GLY 56 HA1 GLY 56 0.224 -12.507 -12.855 464 H LYS 57 HN LYS 57 3.220 -10.776 -13.247 465 HA LYS 57 HA LYS 57 2.797 -8.652 -11.383 466 1HB LYS 57 HB2 LYS 57 4.925 -9.287 -12.547 467 2HB LYS 57 HB1 LYS 57 4.253 -8.646 -14.047 468 1HG LYS 57 HG2 LYS 57 5.007 -6.611 -13.449 469 2HG LYS 57 HG1 LYS 57 3.865 -6.634 -12.105 470 1HD LYS 57 HD2 LYS 57 5.648 -8.024 -10.858 471 2HD LYS 57 HD1 LYS 57 6.762 -7.481 -12.113 472 1HE LYS 57 HE2 LYS 57 5.162 -5.276 -11.036 473 2HE LYS 57 HE1 LYS 57 6.155 -6.068 -9.796 474 1HZ LYS 57 HZ1 LYS 57 8.088 -5.718 -10.986 475 2HZ LYS 57 HZ2 LYS 57 7.238 -4.277 -11.282 476 3HZ LYS 57 HZ3 LYS 57 7.279 -5.499 -12.461 477 H ALA 58 HN ALA 58 0.314 -8.812 -12.230 478 HA ALA 58 HA ALA 58 -0.735 -7.689 -14.494 479 1HB ALA 58 HB1 ALA 58 -1.785 -6.580 -11.966 480 2HB ALA 58 HB2 ALA 58 -1.545 -8.327 -11.956 481 3HB ALA 58 HB3 ALA 58 -2.591 -7.588 -13.169 482 H ASN 59 HN ASN 59 -1.456 -5.428 -14.952 483 HA ASN 59 HA ASN 59 0.565 -3.534 -15.151 484 1HB ASN 59 HB2 ASN 59 -2.249 -3.737 -15.529 485 2HB ASN 59 HB1 ASN 59 -1.945 -2.217 -14.689 486 1HD2 ASN 59 HD21 ASN 59 -0.801 -0.547 -15.830 487 2HD2 ASN 59 HD22 ASN 59 -0.380 -0.683 -17.468 488 H PHE 60 HN PHE 60 -1.684 -3.978 -12.428 489 HA PHE 60 HA PHE 60 -1.567 -3.206 -10.204 490 1HB PHE 60 HB2 PHE 60 0.758 -4.073 -10.513 491 2HB PHE 60 HB1 PHE 60 1.250 -2.477 -11.063 492 HD1 PHE 60 HD1 PHE 60 1.101 -0.515 -9.503 493 HD2 PHE 60 HD2 PHE 60 0.478 -4.556 -8.178 494 HE1 PHE 60 HE1 PHE 60 1.440 0.202 -7.154 495 HE2 PHE 60 HE2 PHE 60 0.814 -3.834 -5.831 496 HZ PHE 60 HZ PHE 60 1.295 -1.457 -5.318 497 H GLU 61 HN GLU 61 -1.562 -1.245 -12.872 498 HA GLU 61 HA GLU 61 -1.197 1.322 -11.446 499 1HB GLU 61 HB2 GLU 61 -1.803 0.486 -14.297 500 2HB GLU 61 HB1 GLU 61 -1.664 2.170 -13.793 501 1HG GLU 61 HG2 GLU 61 0.611 1.042 -12.714 502 2HG GLU 61 HG1 GLU 61 0.445 0.177 -14.242 503 H GLU 62 HN GLU 62 -3.698 0.427 -13.821 504 HA GLU 62 HA GLU 62 -5.777 2.028 -12.947 505 1HB GLU 62 HB2 GLU 62 -5.383 -0.250 -14.588 506 2HB GLU 62 HB1 GLU 62 -6.762 -0.624 -13.554 507 1HG GLU 62 HG2 GLU 62 -7.920 1.373 -14.249 508 2HG GLU 62 HG1 GLU 62 -6.497 1.960 -15.110 509 H VAL 63 HN VAL 63 -4.558 -0.905 -11.447 510 HA VAL 63 HA VAL 63 -6.757 -1.306 -9.609 511 HB VAL 63 HB VAL 63 -3.846 -2.140 -9.712 512 1HG1 VAL 63 HG11 VAL 63 -4.189 -3.562 -7.844 513 2HG1 VAL 63 HG12 VAL 63 -5.935 -3.319 -7.876 514 3HG1 VAL 63 HG13 VAL 63 -4.872 -2.012 -7.354 515 1HG2 VAL 63 HG21 VAL 63 -4.778 -4.299 -10.366 516 2HG2 VAL 63 HG22 VAL 63 -5.422 -3.049 -11.430 517 3HG2 VAL 63 HG23 VAL 63 -6.418 -3.696 -10.126 518 H ALA 64 HN ALA 64 -3.457 -0.023 -9.131 519 HA ALA 64 HA ALA 64 -3.801 0.932 -6.479 520 1HB ALA 64 HB1 ALA 64 -1.674 0.664 -7.752 521 2HB ALA 64 HB2 ALA 64 -1.812 2.265 -7.026 522 3HB ALA 64 HB3 ALA 64 -2.122 2.048 -8.749 523 H THR 65 HN THR 65 -4.902 2.252 -9.533 524 HA THR 65 HA THR 65 -5.343 4.959 -8.514 525 HB THR 65 HB THR 65 -6.925 4.523 -10.781 526 HG1 THR 65 HG1 THR 65 -5.005 3.425 -11.965 527 1HG2 THR 65 HG21 THR 65 -4.415 5.249 -11.733 528 2HG2 THR 65 HG22 THR 65 -4.399 5.792 -10.055 529 3HG2 THR 65 HG23 THR 65 -5.661 6.353 -11.152 530 H ARG 66 HN ARG 66 -7.210 1.981 -8.736 531 HA ARG 66 HA ARG 66 -9.705 3.375 -7.933 532 1HB ARG 66 HB2 ARG 66 -9.809 1.751 -9.729 533 2HB ARG 66 HB1 ARG 66 -9.004 0.539 -8.732 534 1HG ARG 66 HG2 ARG 66 -10.971 0.839 -7.093 535 2HG ARG 66 HG1 ARG 66 -11.788 1.661 -8.424 536 1HD ARG 66 HD2 ARG 66 -10.739 -0.664 -9.591 537 2HD ARG 66 HD1 ARG 66 -11.384 -1.193 -8.025 538 HE ARG 66 HE ARG 66 -12.957 -0.034 -10.224 539 1HH1 ARG 66 HH11 ARG 66 -13.825 -2.367 -8.537 540 2HH1 ARG 66 HH12 ARG 66 -15.025 -1.644 -7.518 541 1HH2 ARG 66 HH21 ARG 66 -14.021 1.606 -8.191 542 2HH2 ARG 66 HH22 ARG 66 -15.136 0.604 -7.322 543 H VAL 67 HN VAL 67 -7.683 0.665 -6.795 544 HA VAL 67 HA VAL 67 -9.028 0.716 -4.149 545 HB VAL 67 HB VAL 67 -8.681 -1.426 -5.237 546 1HG1 VAL 67 HG11 VAL 67 -6.029 -1.968 -5.414 547 2HG1 VAL 67 HG12 VAL 67 -6.015 -0.242 -5.777 548 3HG1 VAL 67 HG13 VAL 67 -6.980 -1.342 -6.761 549 1HG2 VAL 67 HG21 VAL 67 -6.435 -1.364 -3.244 550 2HG2 VAL 67 HG22 VAL 67 -7.695 -2.578 -3.464 551 3HG2 VAL 67 HG23 VAL 67 -8.082 -1.034 -2.707 552 H SER 68 HN SER 68 -7.823 3.042 -4.141 553 HA SER 68 HA SER 68 -5.197 2.623 -2.740 554 1HB SER 68 HB2 SER 68 -5.007 5.089 -3.891 555 2HB SER 68 HB1 SER 68 -4.440 3.611 -4.649 556 HG SER 68 HG SER 68 -6.968 4.858 -4.954 557 H ASP 69 HN ASP 69 -4.599 4.643 -1.440 558 HA ASP 69 HA ASP 69 -6.688 5.303 0.441 559 1HB ASP 69 HB2 ASP 69 -4.211 5.131 0.861 560 2HB ASP 69 HB1 ASP 69 -4.002 6.619 -0.064 561 H CYS 70 HN CYS 70 -8.097 6.060 -1.548 562 HA CYS 70 HA CYS 70 -9.063 7.822 -2.773 563 1HB CYS 70 HB2 CYS 70 -9.724 8.455 -0.560 564 2HB CYS 70 HB1 CYS 70 -8.108 9.049 -0.177 565 HG CYS 70 HG CYS 70 -10.262 10.600 -1.710 566 H SER 71 HN SER 71 -6.774 10.034 -1.280 567 HA SER 71 HA SER 71 -5.928 11.401 -3.543 568 1HB SER 71 HB2 SER 71 -5.356 11.845 -1.148 569 2HB SER 71 HB1 SER 71 -4.246 10.487 -1.186 570 HG SER 71 HG SER 71 -4.002 12.417 -3.181 571 H SER 72 HN SER 72 -4.466 8.490 -2.132 572 HA SER 72 HA SER 72 -2.405 8.007 -3.991 573 1HB SER 72 HB2 SER 72 -2.590 6.626 -2.054 574 2HB SER 72 HB1 SER 72 -4.273 6.236 -2.394 575 HG SER 72 HG SER 72 -2.436 4.677 -2.948 576 H ALA 73 HN ALA 73 -5.896 7.309 -4.249 577 HA ALA 73 HA ALA 73 -5.916 5.770 -6.613 578 1HB ALA 73 HB1 ALA 73 -7.848 6.531 -5.144 579 2HB ALA 73 HB2 ALA 73 -8.159 6.641 -6.876 580 3HB ALA 73 HB3 ALA 73 -7.754 8.092 -5.959 581 H LYS 74 HN LYS 74 -5.514 9.250 -6.143 582 HA LYS 74 HA LYS 74 -5.306 9.882 -8.990 583 1HB LYS 74 HB2 LYS 74 -5.944 11.439 -7.081 584 2HB LYS 74 HB1 LYS 74 -4.263 11.368 -6.550 585 1HG LYS 74 HG2 LYS 74 -4.507 11.953 -9.406 586 2HG LYS 74 HG1 LYS 74 -5.290 13.168 -8.395 587 1HD LYS 74 HD2 LYS 74 -2.683 12.308 -7.358 588 2HD LYS 74 HD1 LYS 74 -2.584 13.067 -8.947 589 1HE LYS 74 HE2 LYS 74 -4.413 14.525 -7.209 590 2HE LYS 74 HE1 LYS 74 -2.788 14.416 -6.503 591 1HZ LYS 74 HZ1 LYS 74 -2.921 16.277 -8.041 592 2HZ LYS 74 HZ2 LYS 74 -3.425 15.239 -9.288 593 3HZ LYS 74 HZ3 LYS 74 -1.862 15.095 -8.638 594 H ARG 75 HN ARG 75 -3.200 8.909 -6.386 595 HA ARG 75 HA ARG 75 -0.795 8.984 -8.176 596 1HB ARG 75 HB2 ARG 75 -1.184 10.227 -5.816 597 2HB ARG 75 HB1 ARG 75 -0.648 8.661 -5.207 598 1HG ARG 75 HG2 ARG 75 1.400 8.798 -6.498 599 2HG ARG 75 HG1 ARG 75 0.838 10.271 -7.281 600 1HD ARG 75 HD2 ARG 75 0.757 10.483 -4.362 601 2HD ARG 75 HD1 ARG 75 2.394 10.198 -4.986 602 HE ARG 75 HE ARG 75 0.670 12.303 -6.222 603 1HH1 ARG 75 HH11 ARG 75 2.745 12.183 -3.673 604 2HH1 ARG 75 HH12 ARG 75 3.945 13.245 -4.331 605 1HH2 ARG 75 HH21 ARG 75 2.559 13.273 -7.508 606 2HH2 ARG 75 HH22 ARG 75 3.840 13.862 -6.502 607 H GLY 76 HN GLY 76 -2.572 6.831 -8.475 608 1HA GLY 76 HA2 GLY 76 -2.089 4.616 -6.734 609 2HA GLY 76 HA1 GLY 76 -2.712 4.495 -8.379 610 H GLY 77 HN GLY 77 -0.069 6.157 -8.952 611 1HA GLY 77 HA2 GLY 77 1.411 3.861 -9.887 612 2HA GLY 77 HA1 GLY 77 1.980 5.530 -9.919 613 H ASP 78 HN ASP 78 3.462 6.155 -8.405 614 HA ASP 78 HA ASP 78 3.816 4.423 -6.018 615 1HB ASP 78 HB2 ASP 78 6.046 3.912 -6.579 616 2HB ASP 78 HB1 ASP 78 5.213 3.820 -8.128 617 H LEU 79 HN LEU 79 5.480 5.386 -4.511 618 HA LEU 79 HA LEU 79 4.863 8.176 -3.954 619 1HB LEU 79 HB2 LEU 79 6.728 6.057 -2.848 620 2HB LEU 79 HB1 LEU 79 6.667 7.683 -2.172 621 HG LEU 79 HG LEU 79 4.282 7.416 -1.689 622 1HD1 LEU 79 HD11 LEU 79 3.578 5.952 -3.476 623 2HD1 LEU 79 HD12 LEU 79 3.298 5.093 -1.961 624 3HD1 LEU 79 HD13 LEU 79 4.699 4.693 -2.956 625 1HD2 LEU 79 HD21 LEU 79 6.397 6.156 -0.404 626 2HD2 LEU 79 HD22 LEU 79 5.191 4.878 -0.552 627 3HD2 LEU 79 HD23 LEU 79 4.780 6.388 0.260 628 H GLY 80 HN GLY 80 8.051 6.729 -3.991 629 1HA GLY 80 HA2 GLY 80 9.409 7.641 -6.124 630 2HA GLY 80 HA1 GLY 80 9.249 9.125 -5.185 631 H SER 81 HN SER 81 10.375 9.343 -3.251 632 HA SER 81 HA SER 81 11.955 7.033 -2.279 633 1HB SER 81 HB2 SER 81 14.015 7.989 -2.755 634 2HB SER 81 HB1 SER 81 13.067 8.488 -4.152 635 HG SER 81 HG SER 81 13.714 10.407 -3.527 636 H PHE 82 HN PHE 82 12.202 7.122 -0.065 637 HA PHE 82 HA PHE 82 12.231 9.654 1.401 638 1HB PHE 82 HB2 PHE 82 10.126 9.035 2.661 639 2HB PHE 82 HB1 PHE 82 9.870 9.504 0.983 640 HD1 PHE 82 HD1 PHE 82 9.776 7.577 -0.779 641 HD2 PHE 82 HD2 PHE 82 9.343 6.985 3.451 642 HE1 PHE 82 HE1 PHE 82 8.673 5.408 -1.202 643 HE2 PHE 82 HE2 PHE 82 8.233 4.813 3.025 644 HZ PHE 82 HZ PHE 82 7.900 4.029 0.695 645 H GLY 83 HN GLY 83 14.134 8.871 2.409 646 1HA GLY 83 HA2 GLY 83 14.569 6.261 3.385 647 2HA GLY 83 HA1 GLY 83 15.359 7.699 4.030 648 H ARG 84 HN ARG 84 14.504 8.681 5.907 649 HA ARG 84 HA ARG 84 12.495 7.002 7.362 650 1HB ARG 84 HB2 ARG 84 14.613 8.949 8.337 651 2HB ARG 84 HB1 ARG 84 13.587 7.953 9.371 652 1HG ARG 84 HG2 ARG 84 15.163 6.588 7.227 653 2HG ARG 84 HG1 ARG 84 16.023 7.141 8.665 654 1HD ARG 84 HD2 ARG 84 13.618 5.281 8.613 655 2HD ARG 84 HD1 ARG 84 15.280 4.857 9.073 656 HE ARG 84 HE ARG 84 13.391 6.401 10.709 657 1HH1 ARG 84 HH21 ARG 84 15.780 8.113 10.682 658 2HH1 ARG 84 HH22 ARG 84 16.762 7.442 11.941 659 1HH2 ARG 84 HH11 ARG 84 15.040 4.433 12.047 660 2HH2 ARG 84 HH12 ARG 84 16.343 5.359 12.715 661 H GLY 85 HN GLY 85 11.051 8.478 5.796 662 1HA GLY 85 HA2 GLY 85 9.832 10.496 7.520 663 2HA GLY 85 HA1 GLY 85 10.576 11.175 6.070 664 H GLN 86 HN GLN 86 7.971 11.601 6.085 665 HA GLN 86 HA GLN 86 6.032 11.272 4.759 666 1HB GLN 86 HB2 GLN 86 7.630 9.044 3.465 667 2HB GLN 86 HB1 GLN 86 6.356 10.021 2.739 668 1HG GLN 86 HG2 GLN 86 8.217 11.892 3.627 669 2HG GLN 86 HG1 GLN 86 9.196 10.572 2.989 670 1HE2 GLN 86 HE21 GLN 86 6.334 12.572 2.079 671 2HE2 GLN 86 HE22 GLN 86 6.674 12.565 0.415 672 H MET 87 HN MET 87 7.505 8.052 5.173 673 HA MET 87 HA MET 87 4.879 7.025 6.172 674 1HB MET 87 HB2 MET 87 7.126 6.118 4.484 675 2HB MET 87 HB1 MET 87 6.455 4.879 5.559 676 1HG MET 87 HG2 MET 87 4.491 4.790 4.412 677 2HG MET 87 HG1 MET 87 4.421 6.539 4.226 678 1HE MET 87 HE1 MET 87 7.004 7.347 1.736 679 2HE MET 87 HE2 MET 87 5.994 7.782 3.112 680 3HE MET 87 HE3 MET 87 5.286 7.699 1.501 681 H GLN 88 HN GLN 88 4.785 6.562 8.337 682 HA GLN 88 HA GLN 88 6.896 6.971 10.174 683 1HB GLN 88 HB2 GLN 88 4.415 5.234 10.379 684 2HB GLN 88 HB1 GLN 88 5.343 5.852 11.745 685 1HG GLN 88 HG2 GLN 88 4.404 7.823 9.710 686 2HG GLN 88 HG1 GLN 88 3.201 7.145 10.808 687 1HE2 GLN 88 HE21 GLN 88 2.898 8.781 12.356 688 2HE2 GLN 88 HE22 GLN 88 4.154 9.515 13.230 689 H LYS 89 HN LYS 89 6.346 4.306 11.607 690 HA LYS 89 HA LYS 89 8.688 2.912 10.490 691 1HB LYS 89 HB2 LYS 89 8.614 1.727 12.609 692 2HB LYS 89 HB1 LYS 89 8.378 3.450 12.898 693 1HG LYS 89 HG2 LYS 89 5.915 3.073 12.940 694 2HG LYS 89 HG1 LYS 89 6.203 1.342 12.760 695 1HD LYS 89 HD2 LYS 89 7.852 2.352 14.888 696 2HD LYS 89 HD1 LYS 89 6.183 2.854 15.163 697 1HE LYS 89 HE2 LYS 89 6.323 0.702 16.179 698 2HE LYS 89 HE1 LYS 89 5.574 0.383 14.602 699 1HZ LYS 89 HZ1 LYS 89 8.474 0.203 15.235 700 2HZ LYS 89 HZ2 LYS 89 7.799 -0.010 13.690 701 3HZ LYS 89 HZ3 LYS 89 7.436 -1.105 14.937 702 HA PRO 90 HA PRO 90 5.254 -0.428 10.080 703 1HB PRO 90 HB2 PRO 90 2.908 0.465 8.988 704 2HB PRO 90 HB1 PRO 90 3.178 0.337 10.738 705 1HG PRO 90 HG2 PRO 90 3.225 2.727 8.986 706 2HG PRO 90 HG1 PRO 90 2.685 2.562 10.663 707 1HD PRO 90 HD2 PRO 90 5.093 3.637 9.887 708 2HD PRO 90 HD1 PRO 90 4.763 2.960 11.495 709 H PHE 91 HN PHE 91 4.439 2.128 7.684 710 HA PHE 91 HA PHE 91 4.647 0.460 5.401 711 1HB PHE 91 HB2 PHE 91 3.623 2.707 5.439 712 2HB PHE 91 HB1 PHE 91 5.207 3.428 5.730 713 HD1 PHE 91 HD1 PHE 91 7.096 2.600 3.963 714 HD2 PHE 91 HD2 PHE 91 2.870 2.665 3.240 715 HE1 PHE 91 HE1 PHE 91 7.526 2.535 1.561 716 HE2 PHE 91 HE2 PHE 91 3.308 2.620 0.788 717 HZ PHE 91 HZ PHE 91 5.637 2.564 -0.050 718 H GLU 92 HN GLU 92 7.032 2.898 6.432 719 HA GLU 92 HA GLU 92 9.135 2.405 4.772 720 1HB GLU 92 HB2 GLU 92 8.988 2.943 7.734 721 2HB GLU 92 HB1 GLU 92 10.551 2.837 6.924 722 1HG GLU 92 HG2 GLU 92 9.649 4.534 5.243 723 2HG GLU 92 HG1 GLU 92 8.301 4.777 6.356 724 H GLU 93 HN GLU 93 8.930 0.688 7.905 725 HA GLU 93 HA GLU 93 10.935 -1.199 7.520 726 1HB GLU 93 HB2 GLU 93 8.227 -1.275 8.851 727 2HB GLU 93 HB1 GLU 93 9.301 -2.672 8.923 728 1HG GLU 93 HG2 GLU 93 10.163 0.119 9.720 729 2HG GLU 93 HG1 GLU 93 9.524 -1.059 10.868 730 H ALA 94 HN ALA 94 7.764 -1.067 6.009 731 HA ALA 94 HA ALA 94 7.746 -3.768 4.968 732 1HB ALA 94 HB1 ALA 94 5.728 -3.070 4.100 733 2HB ALA 94 HB2 ALA 94 6.404 -1.550 3.513 734 3HB ALA 94 HB3 ALA 94 5.973 -1.724 5.214 735 H THR 95 HN THR 95 8.351 -0.635 3.379 736 HA THR 95 HA THR 95 9.361 -1.826 0.951 737 HB THR 95 HB THR 95 9.860 0.951 2.062 738 HG1 THR 95 HG1 THR 95 7.680 0.589 2.185 739 1HG2 THR 95 HG21 THR 95 11.085 0.351 0.007 740 2HG2 THR 95 HG22 THR 95 9.851 1.565 -0.327 741 3HG2 THR 95 HG23 THR 95 9.569 -0.122 -0.759 742 H TYR 96 HN TYR 96 10.780 -0.834 4.005 743 HA TYR 96 HA TYR 96 13.547 -0.896 3.105 744 1HB TYR 96 HB2 TYR 96 11.974 -0.619 5.612 745 2HB TYR 96 HB1 TYR 96 13.609 -1.252 5.808 746 HD1 TYR 96 HD1 TYR 96 11.642 1.694 5.416 747 HD2 TYR 96 HD2 TYR 96 15.512 0.041 4.547 748 HE1 TYR 96 HE1 TYR 96 12.558 3.982 5.133 749 HE2 TYR 96 HE2 TYR 96 16.424 2.334 4.268 750 HH TYR 96 HH TYR 96 15.824 4.660 5.104 751 H ALA 97 HN ALA 97 11.193 -3.232 4.246 752 HA ALA 97 HA ALA 97 13.108 -5.346 4.870 753 1HB ALA 97 HB1 ALA 97 11.012 -6.691 4.967 754 2HB ALA 97 HB2 ALA 97 10.130 -5.338 4.259 755 3HB ALA 97 HB3 ALA 97 10.852 -5.178 5.859 756 H LEU 98 HN LEU 98 11.472 -4.171 2.016 757 HA LEU 98 HA LEU 98 12.073 -6.601 0.435 758 1HB LEU 98 HB2 LEU 98 10.053 -4.797 0.444 759 2HB LEU 98 HB1 LEU 98 11.087 -4.070 -0.785 760 HG LEU 98 HG LEU 98 11.196 -6.459 -1.798 761 1HD1 LEU 98 HD11 LEU 98 8.853 -7.557 -1.283 762 2HD1 LEU 98 HD12 LEU 98 8.998 -6.675 0.237 763 3HD1 LEU 98 HD13 LEU 98 10.221 -7.864 -0.213 764 1HD2 LEU 98 HD21 LEU 98 8.643 -4.817 -1.817 765 2HD2 LEU 98 HD22 LEU 98 9.046 -6.055 -3.007 766 3HD2 LEU 98 HD23 LEU 98 10.033 -4.598 -2.881 767 H LYS 99 HN LYS 99 13.668 -6.637 -1.215 768 HA LYS 99 HA LYS 99 15.885 -4.768 -0.918 769 1HB LYS 99 HB2 LYS 99 15.201 -7.187 -2.561 770 2HB LYS 99 HB1 LYS 99 16.607 -6.217 -3.005 771 1HG LYS 99 HG2 LYS 99 17.583 -6.508 -0.810 772 2HG LYS 99 HG1 LYS 99 16.124 -7.304 -0.218 773 1HD LYS 99 HD2 LYS 99 16.965 -9.279 -0.887 774 2HD LYS 99 HD1 LYS 99 16.931 -8.703 -2.553 775 1HE LYS 99 HE2 LYS 99 19.175 -7.595 -2.120 776 2HE LYS 99 HE1 LYS 99 19.218 -8.464 -0.573 777 1HZ LYS 99 HZ1 LYS 99 18.912 -9.674 -3.270 778 2HZ LYS 99 HZ2 LYS 99 18.796 -10.532 -1.809 779 3HZ LYS 99 HZ3 LYS 99 20.266 -9.808 -2.257 780 H VAL 100 HN VAL 100 14.996 -5.684 -4.171 781 HA VAL 100 HA VAL 100 14.345 -2.817 -4.747 782 HB VAL 100 HB VAL 100 16.621 -4.188 -5.449 783 1HG1 VAL 100 HG11 VAL 100 14.970 -5.520 -7.023 784 2HG1 VAL 100 HG12 VAL 100 16.541 -5.000 -7.634 785 3HG1 VAL 100 HG13 VAL 100 15.092 -4.078 -8.031 786 1HG2 VAL 100 HG21 VAL 100 15.194 -1.767 -6.357 787 2HG2 VAL 100 HG22 VAL 100 16.423 -2.362 -7.473 788 3HG2 VAL 100 HG23 VAL 100 16.861 -1.956 -5.814 789 H GLY 101 HN GLY 101 13.683 -6.209 -5.472 790 1HA GLY 101 HA2 GLY 101 11.398 -5.304 -7.166 791 2HA GLY 101 HA1 GLY 101 12.211 -6.857 -7.366 792 H ASP 102 HN ASP 102 11.124 -8.524 -6.523 793 HA ASP 102 HA ASP 102 9.485 -9.697 -5.269 794 1HB ASP 102 HB2 ASP 102 10.614 -7.920 -3.089 795 2HB ASP 102 HB1 ASP 102 10.000 -9.564 -2.918 796 H ILE 103 HN ILE 103 7.791 -9.136 -3.286 797 HA ILE 103 HA ILE 103 6.473 -6.520 -3.889 798 HB ILE 103 HB ILE 103 5.240 -9.298 -3.959 799 1HG1 ILE 103 HG12 ILE 103 5.148 -7.241 -6.154 800 2HG1 ILE 103 HG11 ILE 103 6.586 -8.243 -5.961 801 1HG2 ILE 103 HG21 ILE 103 3.698 -7.704 -2.906 802 2HG2 ILE 103 HG22 ILE 103 3.137 -8.096 -4.532 803 3HG2 ILE 103 HG23 ILE 103 3.951 -6.562 -4.226 804 1HD1 ILE 103 HD11 ILE 103 5.363 -10.252 -6.312 805 2HD1 ILE 103 HD12 ILE 103 4.776 -9.136 -7.545 806 3HD1 ILE 103 HD13 ILE 103 3.814 -9.437 -6.097 807 H SER 104 HN SER 104 6.502 -5.570 -1.887 808 HA SER 104 HA SER 104 6.871 -6.564 0.630 809 1HB SER 104 HB2 SER 104 6.123 -4.201 -0.443 810 2HB SER 104 HB1 SER 104 4.611 -4.651 0.338 811 HG SER 104 HG SER 104 5.693 -3.699 1.940 812 H ASP 105 HN ASP 105 5.409 -7.229 2.376 813 HA ASP 105 HA ASP 105 3.231 -8.985 1.387 814 1HB ASP 105 HB2 ASP 105 3.498 -10.052 3.527 815 2HB ASP 105 HB1 ASP 105 5.122 -9.671 2.953 816 H ILE 106 HN ILE 106 1.414 -9.106 3.296 817 HA ILE 106 HA ILE 106 -0.360 -7.014 3.052 818 HB ILE 106 HB ILE 106 -1.127 -7.773 5.388 819 1HG1 ILE 106 HG12 ILE 106 1.557 -8.961 5.239 820 2HG1 ILE 106 HG11 ILE 106 0.524 -8.705 6.637 821 1HG2 ILE 106 HG21 ILE 106 -0.643 -9.716 3.117 822 2HG2 ILE 106 HG22 ILE 106 -2.084 -8.744 3.415 823 3HG2 ILE 106 HG23 ILE 106 -1.684 -10.076 4.496 824 1HD1 ILE 106 HD11 ILE 106 -0.828 -10.743 5.659 825 2HD1 ILE 106 HD12 ILE 106 0.651 -11.033 6.575 826 3HD1 ILE 106 HD13 ILE 106 0.681 -11.087 4.812 827 H VAL 107 HN VAL 107 -0.020 -4.858 3.384 828 HA VAL 107 HA VAL 107 1.664 -4.009 5.718 829 HB VAL 107 HB VAL 107 0.975 -2.773 3.035 830 1HG1 VAL 107 HG11 VAL 107 1.833 -1.514 5.543 831 2HG1 VAL 107 HG12 VAL 107 1.185 -0.775 4.078 832 3HG1 VAL 107 HG13 VAL 107 2.902 -1.167 4.183 833 1HG2 VAL 107 HG21 VAL 107 2.932 -3.675 2.391 834 2HG2 VAL 107 HG22 VAL 107 3.074 -4.450 3.969 835 3HG2 VAL 107 HG23 VAL 107 3.765 -2.849 3.708 836 H ASP 108 HN ASP 108 -0.138 -4.087 7.240 837 HA ASP 108 HA ASP 108 -2.520 -2.429 6.634 838 1HB ASP 108 HB2 ASP 108 -2.164 -3.719 9.286 839 2HB ASP 108 HB1 ASP 108 -3.565 -3.710 8.214 840 H THR 109 HN THR 109 -2.095 -0.266 6.912 841 HA THR 109 HA THR 109 -1.719 0.804 9.557 842 HB THR 109 HB THR 109 0.564 -0.075 9.102 843 HG1 THR 109 HG1 THR 109 1.328 2.430 8.968 844 1HG2 THR 109 HG21 THR 109 0.056 0.823 6.512 845 2HG2 THR 109 HG22 THR 109 1.599 0.220 7.118 846 3HG2 THR 109 HG23 THR 109 1.265 1.951 7.126 847 H ASP 110 HN ASP 110 -0.539 3.273 8.853 848 HA ASP 110 HA ASP 110 -1.207 5.359 7.957 849 1HB ASP 110 HB2 ASP 110 -1.102 3.327 5.787 850 2HB ASP 110 HB1 ASP 110 -1.880 4.857 5.383 851 H SER 111 HN SER 111 -3.412 3.827 5.729 852 HA SER 111 HA SER 111 -5.704 5.001 7.253 853 1HB SER 111 HB2 SER 111 -4.866 4.780 4.455 854 2HB SER 111 HB1 SER 111 -6.544 4.303 4.695 855 HG SER 111 HG SER 111 -6.873 6.295 5.758 856 H GLY 112 HN GLY 112 -4.470 2.052 5.787 857 1HA GLY 112 HA2 GLY 112 -6.141 0.371 7.414 858 2HA GLY 112 HA1 GLY 112 -6.760 0.431 5.765 859 H VAL 113 HN VAL 113 -5.891 -0.997 4.358 860 HA VAL 113 HA VAL 113 -3.238 -2.203 5.049 861 HB VAL 113 HB VAL 113 -4.230 -4.179 3.741 862 1HG1 VAL 113 HG11 VAL 113 -5.514 -3.230 6.321 863 2HG1 VAL 113 HG12 VAL 113 -4.081 -4.248 6.170 864 3HG1 VAL 113 HG13 VAL 113 -5.660 -4.870 5.689 865 1HG2 VAL 113 HG21 VAL 113 -6.129 -2.354 3.050 866 2HG2 VAL 113 HG22 VAL 113 -6.920 -3.158 4.406 867 3HG2 VAL 113 HG23 VAL 113 -6.385 -4.099 3.014 868 H HIS 114 HN HIS 114 -1.678 -1.764 3.572 869 HA HIS 114 HA HIS 114 -2.562 -0.953 0.828 870 1HB HIS 114 HB2 HIS 114 -0.061 -0.040 2.255 871 2HB HIS 114 HB1 HIS 114 -0.865 0.720 0.886 872 HD1 HIS 114 HD1 HIS 114 -1.862 2.857 1.668 873 HD2 HIS 114 HD2 HIS 114 -2.314 -0.157 4.513 874 HE1 HIS 114 HE1 HIS 114 -3.163 3.873 3.588 875 H ILE 115 HN ILE 115 -0.542 -1.047 -0.691 876 HA ILE 115 HA ILE 115 0.968 -3.600 -0.229 877 HB ILE 115 HB ILE 115 0.195 -2.596 -2.962 878 1HG1 ILE 115 HG12 ILE 115 -1.628 -4.110 -1.065 879 2HG1 ILE 115 HG11 ILE 115 -1.919 -2.510 -1.743 880 1HG2 ILE 115 HG21 ILE 115 1.720 -4.559 -2.599 881 2HG2 ILE 115 HG22 ILE 115 0.264 -4.955 -3.511 882 3HG2 ILE 115 HG23 ILE 115 0.382 -5.392 -1.807 883 1HD1 ILE 115 HD11 ILE 115 -1.346 -4.410 -3.852 884 2HD1 ILE 115 HD12 ILE 115 -2.772 -3.398 -3.627 885 3HD1 ILE 115 HD13 ILE 115 -2.684 -4.981 -2.855 886 H ILE 116 HN ILE 116 3.103 -3.574 -1.470 887 HA ILE 116 HA ILE 116 4.011 -0.851 -2.252 888 HB ILE 116 HB ILE 116 4.902 -2.488 0.102 889 1HG1 ILE 116 HG12 ILE 116 5.205 0.386 0.252 890 2HG1 ILE 116 HG11 ILE 116 3.586 -0.032 -0.305 891 1HG2 ILE 116 HG21 ILE 116 7.072 -2.270 -0.527 892 2HG2 ILE 116 HG22 ILE 116 6.866 -0.562 -0.139 893 3HG2 ILE 116 HG23 ILE 116 6.675 -1.117 -1.802 894 1HD1 ILE 116 HD11 ILE 116 4.847 -0.485 2.322 895 2HD1 ILE 116 HD12 ILE 116 3.957 -1.868 1.688 896 3HD1 ILE 116 HD13 ILE 116 3.141 -0.321 1.907 897 H LYS 117 HN LYS 117 5.786 -0.883 -3.684 898 HA LYS 117 HA LYS 117 6.917 -3.549 -4.433 899 1HB LYS 117 HB2 LYS 117 5.797 -1.421 -6.291 900 2HB LYS 117 HB1 LYS 117 6.547 -2.932 -6.804 901 1HG LYS 117 HG2 LYS 117 4.727 -3.966 -5.148 902 2HG LYS 117 HG1 LYS 117 3.881 -2.473 -5.547 903 1HD LYS 117 HD2 LYS 117 4.919 -4.532 -7.512 904 2HD LYS 117 HD1 LYS 117 3.228 -4.201 -7.137 905 1HE LYS 117 HE2 LYS 117 3.326 -2.778 -8.924 906 2HE LYS 117 HE1 LYS 117 4.194 -1.693 -7.819 907 1HZ LYS 117 HZ1 LYS 117 6.224 -2.355 -8.600 908 2HZ LYS 117 HZ2 LYS 117 5.314 -2.495 -10.028 909 3HZ LYS 117 HZ3 LYS 117 5.671 -3.877 -9.105 910 H ARG 118 HN ARG 118 8.860 -3.091 -6.025 911 HA ARG 118 HA ARG 118 10.187 -0.490 -5.390 912 1HB ARG 118 HB2 ARG 118 11.135 -3.296 -4.779 913 2HB ARG 118 HB1 ARG 118 12.247 -1.928 -4.844 914 1HG ARG 118 HG2 ARG 118 10.021 -1.113 -3.278 915 2HG ARG 118 HG1 ARG 118 10.502 -2.708 -2.699 916 1HD ARG 118 HD2 ARG 118 11.795 -1.046 -1.479 917 2HD ARG 118 HD1 ARG 118 12.894 -1.840 -2.624 918 HE ARG 118 HE ARG 118 11.497 0.593 -3.578 919 1HH1 ARG 118 HH21 ARG 118 13.831 -0.397 -5.055 920 2HH1 ARG 118 HH22 ARG 118 15.128 0.580 -4.450 921 1HH2 ARG 118 HH11 ARG 118 13.383 1.619 -1.638 922 2HH2 ARG 118 HH12 ARG 118 14.875 1.720 -2.513 923 H THR 119 HN THR 119 12.652 -0.996 -6.497 924 HA THR 119 HA THR 119 12.198 -0.793 -9.317 925 HB THR 119 HB THR 119 14.853 -1.654 -8.311 926 HG1 THR 119 HG1 THR 119 15.102 0.044 -6.977 927 1HG2 THR 119 HG21 THR 119 15.406 -0.463 -10.133 928 2HG2 THR 119 HG22 THR 119 14.781 0.993 -9.357 929 3HG2 THR 119 HG23 THR 119 13.719 0.000 -10.356 930 H ALA 120 HN ALA 120 14.588 -2.611 -9.892 931 HA ALA 120 HA ALA 120 14.986 -4.866 -10.506 932 1HB ALA 120 HB1 ALA 120 12.658 -6.063 -9.270 933 2HB ALA 120 HB2 ALA 120 13.406 -4.914 -8.161 934 3HB ALA 120 HB3 ALA 120 14.357 -6.241 -8.828 Start of MODEL 13 1 1H HIS 1 HT1 HIS 1 36.110 5.926 2.046 2 2H HIS 1 HT2 HIS 1 36.323 4.284 2.428 3 3H HIS 1 HT3 HIS 1 36.810 5.485 3.527 4 HA HIS 1 HA HIS 1 34.001 4.909 2.722 5 1HB HIS 1 HB2 HIS 1 35.849 3.731 4.562 6 2HB HIS 1 HB1 HIS 1 34.618 4.580 5.496 7 HD1 HIS 1 HD1 HIS 1 32.386 3.448 5.709 8 HD2 HIS 1 HD2 HIS 1 34.660 1.836 2.609 9 HE1 HIS 1 HE1 HIS 1 31.102 1.443 4.847 10 H MET 2 HN MET 2 32.586 6.544 3.276 11 HA MET 2 HA MET 2 33.628 8.763 5.009 12 1HB MET 2 HB2 MET 2 33.269 8.927 2.350 13 2HB MET 2 HB1 MET 2 31.617 9.273 2.863 14 1HG MET 2 HG2 MET 2 32.477 11.412 2.946 15 2HG MET 2 HG1 MET 2 32.885 10.882 4.577 16 1HE MET 2 HE1 MET 2 36.175 12.534 4.348 17 2HE MET 2 HE2 MET 2 34.904 11.872 5.374 18 3HE MET 2 HE3 MET 2 34.508 13.100 4.175 19 H ALA 3 HN ALA 3 30.575 7.501 3.604 20 HA ALA 3 HA ALA 3 29.316 7.054 6.154 21 1HB ALA 3 HB1 ALA 3 28.438 9.097 6.626 22 2HB ALA 3 HB2 ALA 3 27.977 9.373 4.946 23 3HB ALA 3 HB3 ALA 3 29.622 9.723 5.478 24 H SER 4 HN SER 4 28.623 8.185 2.825 25 HA SER 4 HA SER 4 27.143 7.308 1.202 26 1HB SER 4 HB2 SER 4 28.448 5.231 2.450 27 2HB SER 4 HB1 SER 4 26.760 4.784 2.683 28 HG SER 4 HG SER 4 28.282 4.889 0.392 29 H ARG 5 HN ARG 5 25.205 8.425 1.416 30 HA ARG 5 HA ARG 5 23.482 8.436 3.674 31 1HB ARG 5 HB2 ARG 5 21.843 9.324 2.019 32 2HB ARG 5 HB1 ARG 5 23.428 10.072 1.851 33 1HG ARG 5 HG2 ARG 5 23.077 7.616 0.259 34 2HG ARG 5 HG1 ARG 5 22.022 8.946 -0.218 35 1HD ARG 5 HD2 ARG 5 23.760 9.960 -1.255 36 2HD ARG 5 HD1 ARG 5 24.667 9.985 0.271 37 HE ARG 5 HE ARG 5 25.570 7.784 -0.283 38 1HH1 ARG 5 HH21 ARG 5 22.991 8.300 -2.378 39 2HH1 ARG 5 HH22 ARG 5 23.793 7.695 -3.789 40 1HH2 ARG 5 HH11 ARG 5 26.880 7.409 -2.236 41 2HH2 ARG 5 HH12 ARG 5 25.995 7.192 -3.709 42 H ASP 6 HN ASP 6 20.973 7.725 2.937 43 HA ASP 6 HA ASP 6 21.070 4.858 2.125 44 1HB ASP 6 HB2 ASP 6 19.349 4.710 4.158 45 2HB ASP 6 HB1 ASP 6 21.081 4.552 4.421 46 H GLN 7 HN GLN 7 18.330 6.413 3.661 47 HA GLN 7 HA GLN 7 16.256 7.159 2.783 48 1HB GLN 7 HB2 GLN 7 18.122 8.050 1.035 49 2HB GLN 7 HB1 GLN 7 17.240 6.943 -0.019 50 1HG GLN 7 HG2 GLN 7 15.128 8.061 0.530 51 2HG GLN 7 HG1 GLN 7 15.970 9.142 1.639 52 1HE2 GLN 7 HE21 GLN 7 15.834 11.147 0.561 53 2HE2 GLN 7 HE22 GLN 7 16.380 11.412 -1.024 54 H VAL 8 HN VAL 8 14.418 6.213 1.535 55 HA VAL 8 HA VAL 8 14.900 3.427 0.570 56 HB VAL 8 HB VAL 8 14.284 3.053 2.818 57 1HG1 VAL 8 HG11 VAL 8 12.625 5.515 2.423 58 2HG1 VAL 8 HG12 VAL 8 13.733 5.110 3.734 59 3HG1 VAL 8 HG13 VAL 8 12.139 4.359 3.664 60 1HG2 VAL 8 HG21 VAL 8 12.517 1.702 2.409 61 2HG2 VAL 8 HG22 VAL 8 12.441 2.424 0.801 62 3HG2 VAL 8 HG23 VAL 8 11.457 3.080 2.110 63 H LYS 9 HN LYS 9 14.243 3.762 -1.572 64 HA LYS 9 HA LYS 9 11.963 5.452 -2.272 65 1HB LYS 9 HB2 LYS 9 13.663 3.423 -3.748 66 2HB LYS 9 HB1 LYS 9 12.389 4.368 -4.517 67 1HG LYS 9 HG2 LYS 9 13.736 6.350 -3.274 68 2HG LYS 9 HG1 LYS 9 15.062 5.230 -3.588 69 1HD LYS 9 HD2 LYS 9 14.503 5.160 -5.957 70 2HD LYS 9 HD1 LYS 9 13.075 6.156 -5.683 71 1HE LYS 9 HE2 LYS 9 14.407 7.941 -6.130 72 2HE LYS 9 HE1 LYS 9 15.163 7.639 -4.553 73 1HZ LYS 9 HZ1 LYS 9 16.792 6.285 -5.506 74 2HZ LYS 9 HZ2 LYS 9 16.674 7.585 -6.593 75 3HZ LYS 9 HZ3 LYS 9 15.935 6.100 -6.958 76 H ALA 10 HN ALA 10 10.000 4.462 -3.421 77 HA ALA 10 HA ALA 10 9.375 1.683 -3.317 78 1HB ALA 10 HB1 ALA 10 9.575 2.919 -0.776 79 2HB ALA 10 HB2 ALA 10 8.997 1.290 -1.130 80 3HB ALA 10 HB3 ALA 10 7.858 2.633 -1.055 81 H SER 11 HN SER 11 7.021 1.234 -3.448 82 HA SER 11 HA SER 11 5.416 3.604 -4.338 83 1HB SER 11 HB2 SER 11 4.734 2.376 -6.228 84 2HB SER 11 HB1 SER 11 6.405 1.844 -6.050 85 HG SER 11 HG SER 11 4.016 0.547 -5.268 86 H HIS 12 HN HIS 12 2.903 2.575 -4.478 87 HA HIS 12 HA HIS 12 2.364 0.586 -2.426 88 1HB HIS 12 HB2 HIS 12 1.679 2.036 -0.648 89 2HB HIS 12 HB1 HIS 12 3.258 2.608 -1.186 90 HD1 HIS 12 HD1 HIS 12 0.567 4.196 0.036 91 HD2 HIS 12 HD2 HIS 12 2.277 4.443 -3.759 92 HE1 HIS 12 HE1 HIS 12 -0.160 6.421 -0.935 93 H ILE 13 HN ILE 13 0.089 0.319 -1.961 94 HA ILE 13 HA ILE 13 -1.862 1.799 -3.636 95 HB ILE 13 HB ILE 13 -0.751 -0.842 -4.181 96 1HG1 ILE 13 HG12 ILE 13 -2.627 1.090 -5.545 97 2HG1 ILE 13 HG11 ILE 13 -0.956 0.709 -5.958 98 1HG2 ILE 13 HG21 ILE 13 -2.804 -1.520 -2.829 99 2HG2 ILE 13 HG22 ILE 13 -2.750 -2.137 -4.479 100 3HG2 ILE 13 HG23 ILE 13 -3.779 -0.760 -4.088 101 1HD1 ILE 13 HD11 ILE 13 -3.443 -0.692 -6.705 102 2HD1 ILE 13 HD12 ILE 13 -2.156 -1.760 -6.146 103 3HD1 ILE 13 HD13 ILE 13 -1.874 -0.680 -7.511 104 H LEU 14 HN LEU 14 -4.166 0.708 -3.012 105 HA LEU 14 HA LEU 14 -4.129 -0.081 -0.125 106 1HB LEU 14 HB2 LEU 14 -4.457 2.320 -0.187 107 2HB LEU 14 HB1 LEU 14 -5.671 2.163 -1.454 108 HG LEU 14 HG LEU 14 -6.939 0.667 0.247 109 1HD1 LEU 14 HD11 LEU 14 -5.616 2.307 2.349 110 2HD1 LEU 14 HD12 LEU 14 -4.709 0.924 1.735 111 3HD1 LEU 14 HD13 LEU 14 -6.302 0.685 2.453 112 1HD2 LEU 14 HD21 LEU 14 -8.230 2.505 0.822 113 2HD2 LEU 14 HD22 LEU 14 -7.292 3.192 -0.503 114 3HD2 LEU 14 HD23 LEU 14 -6.825 3.514 1.166 115 H ILE 15 HN ILE 15 -6.053 -1.255 0.514 116 HA ILE 15 HA ILE 15 -7.755 -2.178 -1.780 117 HB ILE 15 HB ILE 15 -6.413 -3.654 0.493 118 1HG1 ILE 15 HG12 ILE 15 -6.462 -3.954 -2.527 119 2HG1 ILE 15 HG11 ILE 15 -5.096 -3.440 -1.537 120 1HG2 ILE 15 HG21 ILE 15 -8.729 -4.423 0.449 121 2HG2 ILE 15 HG22 ILE 15 -7.695 -5.660 -0.266 122 3HG2 ILE 15 HG23 ILE 15 -8.662 -4.612 -1.303 123 1HD1 ILE 15 HD11 ILE 15 -4.857 -5.601 -0.561 124 2HD1 ILE 15 HD12 ILE 15 -5.095 -5.893 -2.284 125 3HD1 ILE 15 HD13 ILE 15 -6.431 -6.125 -1.158 126 H LYS 16 HN LYS 16 -7.659 -0.695 1.268 127 HA LYS 16 HA LYS 16 -9.385 0.002 2.721 128 1HB LYS 16 HB2 LYS 16 -10.452 -0.333 0.085 129 2HB LYS 16 HB1 LYS 16 -11.659 -0.906 1.237 130 1HG LYS 16 HG2 LYS 16 -11.557 1.194 2.464 131 2HG LYS 16 HG1 LYS 16 -10.242 1.767 1.437 132 1HD LYS 16 HD2 LYS 16 -12.860 0.932 0.211 133 2HD LYS 16 HD1 LYS 16 -12.680 2.543 0.907 134 1HE LYS 16 HE2 LYS 16 -11.813 3.139 -1.114 135 2HE LYS 16 HE1 LYS 16 -10.366 2.236 -0.621 136 1HZ LYS 16 HZ1 LYS 16 -10.868 0.961 -2.391 137 2HZ LYS 16 HZ2 LYS 16 -12.488 1.467 -2.443 138 3HZ LYS 16 HZ3 LYS 16 -12.009 0.255 -1.353 139 H HIS 17 HN HIS 17 -11.042 -0.953 4.181 140 HA HIS 17 HA HIS 17 -11.805 -3.729 4.052 141 1HB HIS 17 HB2 HIS 17 -10.181 -4.653 5.606 142 2HB HIS 17 HB1 HIS 17 -9.293 -3.834 4.324 143 HD1 HIS 17 HD1 HIS 17 -10.393 -1.016 5.910 144 HD2 HIS 17 HD2 HIS 17 -7.742 -3.975 7.166 145 HE1 HIS 17 HE1 HIS 17 -8.980 0.019 7.737 146 H GLN 18 HN GLN 18 -11.353 -4.005 7.039 147 HA GLN 18 HA GLN 18 -13.609 -2.233 7.882 148 1HB GLN 18 HB2 GLN 18 -12.715 -4.993 8.375 149 2HB GLN 18 HB1 GLN 18 -13.224 -4.145 9.835 150 1HG GLN 18 HG2 GLN 18 -14.984 -3.763 7.490 151 2HG GLN 18 HG1 GLN 18 -14.944 -5.404 8.135 152 1HE2 GLN 18 HE21 GLN 18 -14.610 -4.881 10.899 153 2HE2 GLN 18 HE22 GLN 18 -15.972 -4.050 11.477 154 H GLY 19 HN GLY 19 -12.211 -0.383 8.316 155 1HA GLY 19 HA2 GLY 19 -10.481 -0.756 10.729 156 2HA GLY 19 HA1 GLY 19 -10.119 0.419 9.462 157 H SER 20 HN SER 20 -13.237 -0.346 11.010 158 HA SER 20 HA SER 20 -14.803 1.112 12.021 159 1HB SER 20 HB2 SER 20 -12.597 0.978 13.497 160 2HB SER 20 HB1 SER 20 -12.444 2.670 13.032 161 HG SER 20 HG SER 20 -14.712 1.447 14.236 162 H ARG 21 HN ARG 21 -15.130 1.916 9.670 163 HA ARG 21 HA ARG 21 -14.627 4.860 9.609 164 1HB ARG 21 HB2 ARG 21 -13.500 2.749 7.917 165 2HB ARG 21 HB1 ARG 21 -14.302 4.012 6.981 166 1HG ARG 21 HG2 ARG 21 -12.967 5.570 8.716 167 2HG ARG 21 HG1 ARG 21 -11.883 4.179 8.710 168 1HD ARG 21 HD2 ARG 21 -12.194 4.363 6.072 169 2HD ARG 21 HD1 ARG 21 -12.565 6.053 6.472 170 HE ARG 21 HE ARG 21 -9.953 4.826 6.680 171 1HH1 ARG 21 HH11 ARG 21 -11.783 7.596 7.191 172 2HH1 ARG 21 HH12 ARG 21 -10.711 8.303 8.353 173 1HH2 ARG 21 HH21 ARG 21 -8.707 5.484 8.611 174 2HH2 ARG 21 HH22 ARG 21 -8.969 7.107 9.158 175 H ARG 22 HN ARG 22 -15.821 5.599 7.355 176 HA ARG 22 HA ARG 22 -18.515 4.275 7.338 177 1HB ARG 22 HB2 ARG 22 -17.692 7.186 7.448 178 2HB ARG 22 HB1 ARG 22 -19.324 6.687 7.003 179 1HG ARG 22 HG2 ARG 22 -18.497 5.273 9.375 180 2HG ARG 22 HG1 ARG 22 -18.283 7.008 9.614 181 1HD ARG 22 HD2 ARG 22 -20.829 6.059 8.340 182 2HD ARG 22 HD1 ARG 22 -20.641 5.895 10.097 183 HE ARG 22 HE ARG 22 -20.506 8.473 8.601 184 1HH1 ARG 22 HH21 ARG 22 -21.828 6.845 11.199 185 2HH1 ARG 22 HH22 ARG 22 -21.574 8.108 12.357 186 1HH2 ARG 22 HH11 ARG 22 -19.636 10.035 10.223 187 2HH2 ARG 22 HH12 ARG 22 -20.331 9.913 11.805 188 H LYS 23 HN LYS 23 -15.837 4.813 5.526 189 HA LYS 23 HA LYS 23 -15.426 4.894 3.200 190 1HB LYS 23 HB2 LYS 23 -18.304 3.925 3.205 191 2HB LYS 23 HB1 LYS 23 -17.144 3.713 1.893 192 1HG LYS 23 HG2 LYS 23 -15.653 2.522 3.602 193 2HG LYS 23 HG1 LYS 23 -17.068 2.488 4.655 194 1HD LYS 23 HD2 LYS 23 -18.080 1.594 2.238 195 2HD LYS 23 HD1 LYS 23 -16.472 0.869 2.285 196 1HE LYS 23 HE2 LYS 23 -17.869 -0.705 3.412 197 2HE LYS 23 HE1 LYS 23 -17.076 0.190 4.724 198 1HZ LYS 23 HZ1 LYS 23 -19.841 0.246 3.874 199 2HZ LYS 23 HZ2 LYS 23 -19.161 1.781 4.137 200 3HZ LYS 23 HZ3 LYS 23 -19.165 0.625 5.382 201 H ALA 24 HN ALA 24 -15.934 7.399 4.146 202 HA ALA 24 HA ALA 24 -17.574 8.603 1.959 203 1HB ALA 24 HB1 ALA 24 -18.533 10.138 3.713 204 2HB ALA 24 HB2 ALA 24 -17.744 9.146 4.940 205 3HB ALA 24 HB3 ALA 24 -19.005 8.451 3.922 206 H SER 25 HN SER 25 -15.458 9.177 1.049 207 HA SER 25 HA SER 25 -14.315 11.615 2.325 208 1HB SER 25 HB2 SER 25 -13.184 9.174 2.718 209 2HB SER 25 HB1 SER 25 -12.384 9.644 1.221 210 HG SER 25 HG SER 25 -12.233 10.742 3.773 211 H TRP 26 HN TRP 26 -15.837 12.050 0.240 212 HA TRP 26 HA TRP 26 -14.082 12.956 -1.871 213 1HB TRP 26 HB2 TRP 26 -15.129 10.243 -1.930 214 2HB TRP 26 HB1 TRP 26 -15.682 11.161 -3.331 215 HD1 TRP 26 HD1 TRP 26 -13.222 8.837 -2.921 216 HE1 TRP 26 HE1 TRP 26 -11.000 9.377 -4.114 217 HE3 TRP 26 HE3 TRP 26 -13.816 13.854 -3.664 218 HZ2 TRP 26 HZ2 TRP 26 -9.655 11.636 -5.235 219 HZ3 TRP 26 HZ3 TRP 26 -12.050 15.174 -4.797 220 HH2 TRP 26 HH2 TRP 26 -9.973 14.072 -5.582 221 H LYS 27 HN LYS 27 -15.990 12.892 -3.984 222 HA LYS 27 HA LYS 27 -18.362 14.306 -2.821 223 1HB LYS 27 HB2 LYS 27 -18.035 15.932 -4.750 224 2HB LYS 27 HB1 LYS 27 -16.774 15.989 -3.518 225 1HG LYS 27 HG2 LYS 27 -15.217 14.887 -4.870 226 2HG LYS 27 HG1 LYS 27 -16.465 14.171 -5.892 227 1HD LYS 27 HD2 LYS 27 -16.263 17.153 -5.813 228 2HD LYS 27 HD1 LYS 27 -15.040 16.264 -6.722 229 1HE LYS 27 HE2 LYS 27 -17.695 15.210 -7.279 230 2HE LYS 27 HE1 LYS 27 -17.601 16.946 -7.642 231 1HZ LYS 27 HZ1 LYS 27 -15.527 16.545 -8.827 232 2HZ LYS 27 HZ2 LYS 27 -16.791 15.639 -9.510 233 3HZ LYS 27 HZ3 LYS 27 -15.645 14.882 -8.511 234 H ASP 28 HN ASP 28 -19.094 11.949 -3.366 235 HA ASP 28 HA ASP 28 -20.829 11.927 -5.594 236 1HB ASP 28 HB2 ASP 28 -18.051 11.560 -6.226 237 2HB ASP 28 HB1 ASP 28 -18.906 10.056 -6.570 238 HA PRO 29 HA PRO 29 -20.237 7.412 -4.060 239 1HB PRO 29 HB2 PRO 29 -18.218 6.947 -2.268 240 2HB PRO 29 HB1 PRO 29 -18.003 6.813 -4.025 241 1HG PRO 29 HG2 PRO 29 -17.271 9.048 -2.193 242 2HG PRO 29 HG1 PRO 29 -16.373 8.372 -3.563 243 1HD PRO 29 HD2 PRO 29 -17.780 10.675 -3.728 244 2HD PRO 29 HD1 PRO 29 -17.564 9.583 -5.113 245 H GLU 30 HN GLU 30 -22.087 8.689 -2.990 246 HA GLU 30 HA GLU 30 -22.146 9.806 -0.453 247 1HB GLU 30 HB2 GLU 30 -24.049 9.555 -2.011 248 2HB GLU 30 HB1 GLU 30 -24.087 7.823 -1.684 249 1HG GLU 30 HG2 GLU 30 -25.115 8.096 0.324 250 2HG GLU 30 HG1 GLU 30 -24.155 9.521 0.727 251 H GLY 31 HN GLY 31 -22.425 6.306 -1.178 252 1HA GLY 31 HA2 GLY 31 -20.969 4.885 0.395 253 2HA GLY 31 HA1 GLY 31 -21.778 5.768 1.691 254 H LYS 32 HN LYS 32 -22.155 3.189 1.973 255 HA LYS 32 HA LYS 32 -24.964 2.757 1.073 256 1HB LYS 32 HB2 LYS 32 -22.813 1.618 -0.198 257 2HB LYS 32 HB1 LYS 32 -23.212 0.380 0.994 258 1HG LYS 32 HG2 LYS 32 -24.924 -0.283 -0.301 259 2HG LYS 32 HG1 LYS 32 -25.669 1.302 -0.092 260 1HD LYS 32 HD2 LYS 32 -24.788 2.132 -2.084 261 2HD LYS 32 HD1 LYS 32 -23.453 0.978 -2.091 262 1HE LYS 32 HE2 LYS 32 -24.657 -0.460 -3.358 263 2HE LYS 32 HE1 LYS 32 -25.985 -0.434 -2.179 264 1HZ LYS 32 HZ1 LYS 32 -26.696 0.496 -4.301 265 2HZ LYS 32 HZ2 LYS 32 -25.450 1.650 -4.232 266 3HZ LYS 32 HZ3 LYS 32 -26.709 1.684 -3.091 267 H ILE 33 HN ILE 33 -25.125 0.112 2.122 268 HA ILE 33 HA ILE 33 -24.450 0.488 5.018 269 HB ILE 33 HB ILE 33 -26.812 1.140 4.362 270 1HG1 ILE 33 HG12 ILE 33 -27.475 -1.093 6.041 271 2HG1 ILE 33 HG11 ILE 33 -25.881 -0.497 6.505 272 1HG2 ILE 33 HG21 ILE 33 -27.097 -1.842 3.889 273 2HG2 ILE 33 HG22 ILE 33 -27.011 -0.640 2.601 274 3HG2 ILE 33 HG23 ILE 33 -28.361 -0.622 3.736 275 1HD1 ILE 33 HD11 ILE 33 -27.089 1.008 7.725 276 2HD1 ILE 33 HD12 ILE 33 -28.526 0.819 6.720 277 3HD1 ILE 33 HD13 ILE 33 -27.204 1.856 6.182 278 H ILE 34 HN ILE 34 -23.682 -1.314 2.505 279 HA ILE 34 HA ILE 34 -24.271 -4.003 3.591 280 HB ILE 34 HB ILE 34 -23.249 -4.724 1.486 281 1HG1 ILE 34 HG12 ILE 34 -22.740 -1.984 0.508 282 2HG1 ILE 34 HG11 ILE 34 -21.640 -2.519 1.777 283 1HG2 ILE 34 HG21 ILE 34 -24.672 -3.378 -0.106 284 2HG2 ILE 34 HG22 ILE 34 -25.043 -2.293 1.235 285 3HG2 ILE 34 HG23 ILE 34 -25.544 -3.983 1.302 286 1HD1 ILE 34 HD11 ILE 34 -22.222 -4.454 -0.413 287 2HD1 ILE 34 HD12 ILE 34 -20.724 -4.181 0.477 288 3HD1 ILE 34 HD13 ILE 34 -21.199 -3.074 -0.811 289 H LEU 35 HN LEU 35 -21.711 -5.078 2.577 290 HA LEU 35 HA LEU 35 -19.657 -3.863 4.337 291 1HB LEU 35 HB2 LEU 35 -21.391 -5.848 5.240 292 2HB LEU 35 HB1 LEU 35 -19.938 -6.741 4.792 293 HG LEU 35 HG LEU 35 -19.668 -4.212 6.384 294 1HD1 LEU 35 HD11 LEU 35 -19.741 -6.633 8.016 295 2HD1 LEU 35 HD12 LEU 35 -21.298 -6.299 7.256 296 3HD1 LEU 35 HD13 LEU 35 -20.537 -5.081 8.280 297 1HD2 LEU 35 HD21 LEU 35 -17.801 -5.769 7.352 298 2HD2 LEU 35 HD22 LEU 35 -17.586 -5.090 5.738 299 3HD2 LEU 35 HD23 LEU 35 -18.124 -6.759 5.928 300 H THR 36 HN THR 36 -17.680 -4.082 3.349 301 HA THR 36 HA THR 36 -17.423 -6.144 1.184 302 HB THR 36 HB THR 36 -17.466 -3.703 0.553 303 HG1 THR 36 HG1 THR 36 -16.275 -4.441 -0.987 304 1HG2 THR 36 HG21 THR 36 -15.899 -2.194 1.352 305 2HG2 THR 36 HG22 THR 36 -14.719 -3.453 1.714 306 3HG2 THR 36 HG23 THR 36 -16.107 -3.214 2.775 307 H THR 37 HN THR 37 -14.497 -5.245 1.113 308 HA THR 37 HA THR 37 -13.239 -7.328 2.453 309 HB THR 37 HB THR 37 -12.352 -4.474 1.942 310 HG1 THR 37 HG1 THR 37 -12.508 -5.329 0.019 311 1HG2 THR 37 HG21 THR 37 -10.108 -6.134 1.951 312 2HG2 THR 37 HG22 THR 37 -11.028 -6.641 3.368 313 3HG2 THR 37 HG23 THR 37 -10.538 -4.956 3.190 314 H THR 38 HN THR 38 -12.819 -7.797 4.588 315 HA THR 38 HA THR 38 -13.378 -5.650 6.608 316 HB THR 38 HB THR 38 -14.163 -7.476 8.034 317 HG1 THR 38 HG1 THR 38 -13.865 -9.330 5.981 318 1HG2 THR 38 HG21 THR 38 -15.553 -8.434 5.683 319 2HG2 THR 38 HG22 THR 38 -15.350 -6.683 5.612 320 3HG2 THR 38 HG23 THR 38 -16.156 -7.423 6.995 321 H ARG 39 HN ARG 39 -12.277 -6.741 8.845 322 HA ARG 39 HA ARG 39 -9.514 -6.238 8.667 323 1HB ARG 39 HB2 ARG 39 -11.220 -6.589 10.657 324 2HB ARG 39 HB1 ARG 39 -10.618 -8.247 10.606 325 1HG ARG 39 HG2 ARG 39 -8.539 -6.139 10.503 326 2HG ARG 39 HG1 ARG 39 -9.421 -6.258 12.026 327 1HD ARG 39 HD2 ARG 39 -8.814 -8.574 12.297 328 2HD ARG 39 HD1 ARG 39 -8.162 -8.653 10.648 329 HE ARG 39 HE ARG 39 -6.879 -7.305 12.946 330 1HH1 ARG 39 HH11 ARG 39 -7.236 -7.271 9.539 331 2HH1 ARG 39 HH12 ARG 39 -5.554 -7.009 9.222 332 1HH2 ARG 39 HH21 ARG 39 -4.618 -7.219 12.552 333 2HH2 ARG 39 HH22 ARG 39 -4.073 -6.980 10.926 334 H GLU 40 HN GLU 40 -10.874 -9.488 9.213 335 HA GLU 40 HA GLU 40 -8.597 -10.998 8.571 336 1HB GLU 40 HB2 GLU 40 -10.717 -11.826 9.557 337 2HB GLU 40 HB1 GLU 40 -11.522 -11.592 8.008 338 1HG GLU 40 HG2 GLU 40 -10.101 -13.238 6.947 339 2HG GLU 40 HG1 GLU 40 -9.107 -13.379 8.397 340 H ALA 41 HN ALA 41 -11.351 -10.435 6.356 341 HA ALA 41 HA ALA 41 -10.319 -11.395 3.977 342 1HB ALA 41 HB1 ALA 41 -12.374 -9.653 4.861 343 2HB ALA 41 HB2 ALA 41 -12.250 -10.447 3.291 344 3HB ALA 41 HB3 ALA 41 -11.568 -8.837 3.521 345 H ALA 42 HN ALA 42 -9.836 -8.071 5.206 346 HA ALA 42 HA ALA 42 -8.238 -6.955 3.245 347 1HB ALA 42 HB1 ALA 42 -8.538 -6.763 6.165 348 2HB ALA 42 HB2 ALA 42 -8.449 -5.475 4.963 349 3HB ALA 42 HB3 ALA 42 -6.969 -6.208 5.582 350 H VAL 43 HN VAL 43 -6.686 -8.444 6.093 351 HA VAL 43 HA VAL 43 -4.125 -8.769 4.974 352 HB VAL 43 HB VAL 43 -5.604 -10.584 6.915 353 1HG1 VAL 43 HG11 VAL 43 -2.943 -10.412 7.668 354 2HG1 VAL 43 HG12 VAL 43 -2.856 -10.496 5.909 355 3HG1 VAL 43 HG13 VAL 43 -3.680 -11.767 6.813 356 1HG2 VAL 43 HG21 VAL 43 -4.557 -9.123 8.649 357 2HG2 VAL 43 HG22 VAL 43 -5.701 -8.244 7.637 358 3HG2 VAL 43 HG23 VAL 43 -3.968 -8.067 7.366 359 H GLU 44 HN GLU 44 -7.032 -10.720 4.594 360 HA GLU 44 HA GLU 44 -5.806 -13.007 3.339 361 1HB GLU 44 HB2 GLU 44 -8.367 -12.078 4.131 362 2HB GLU 44 HB1 GLU 44 -8.483 -12.434 2.408 363 1HG GLU 44 HG2 GLU 44 -7.715 -14.686 2.734 364 2HG GLU 44 HG1 GLU 44 -7.275 -14.356 4.410 365 H GLN 45 HN GLN 45 -7.495 -10.158 2.010 366 HA GLN 45 HA GLN 45 -6.956 -10.714 -0.751 367 1HB GLN 45 HB2 GLN 45 -8.353 -8.864 0.779 368 2HB GLN 45 HB1 GLN 45 -7.082 -7.887 0.045 369 1HG GLN 45 HG2 GLN 45 -8.529 -9.828 -1.706 370 2HG GLN 45 HG1 GLN 45 -9.382 -8.361 -1.229 371 1HE2 GLN 45 HE21 GLN 45 -8.675 -6.346 -2.130 372 2HE2 GLN 45 HE22 GLN 45 -7.448 -6.242 -3.299 373 H LEU 46 HN LEU 46 -5.195 -8.981 1.774 374 HA LEU 46 HA LEU 46 -3.106 -7.896 0.111 375 1HB LEU 46 HB2 LEU 46 -3.931 -7.934 2.819 376 2HB LEU 46 HB1 LEU 46 -2.288 -8.577 2.810 377 HG LEU 46 HG LEU 46 -2.232 -6.137 3.040 378 1HD1 LEU 46 HD11 LEU 46 -0.443 -7.250 1.745 379 2HD1 LEU 46 HD12 LEU 46 -0.773 -5.635 1.119 380 3HD1 LEU 46 HD13 LEU 46 -1.392 -7.053 0.272 381 1HD2 LEU 46 HD21 LEU 46 -4.452 -6.198 1.392 382 2HD2 LEU 46 HD22 LEU 46 -3.195 -5.585 0.318 383 3HD2 LEU 46 HD23 LEU 46 -3.553 -4.744 1.826 384 H LYS 47 HN LYS 47 -3.847 -11.051 1.266 385 HA LYS 47 HA LYS 47 -1.145 -12.143 1.182 386 1HB LYS 47 HB2 LYS 47 -3.579 -12.830 2.257 387 2HB LYS 47 HB1 LYS 47 -3.491 -13.915 0.871 388 1HG LYS 47 HG2 LYS 47 -1.506 -14.932 1.641 389 2HG LYS 47 HG1 LYS 47 -1.158 -13.610 2.756 390 1HD LYS 47 HD2 LYS 47 -3.717 -15.107 3.131 391 2HD LYS 47 HD1 LYS 47 -2.220 -15.904 3.615 392 1HE LYS 47 HE2 LYS 47 -2.356 -13.100 4.491 393 2HE LYS 47 HE1 LYS 47 -3.623 -14.124 5.196 394 1HZ LYS 47 HZ1 LYS 47 -0.854 -15.115 4.998 395 2HZ LYS 47 HZ2 LYS 47 -2.087 -15.592 6.065 396 3HZ LYS 47 HZ3 LYS 47 -1.294 -14.105 6.287 397 H SER 48 HN SER 48 -4.020 -12.265 -0.911 398 HA SER 48 HA SER 48 -2.626 -13.725 -3.035 399 1HB SER 48 HB2 SER 48 -4.800 -13.500 -4.149 400 2HB SER 48 HB1 SER 48 -5.046 -13.955 -2.464 401 HG SER 48 HG SER 48 -6.385 -12.263 -2.774 402 H ILE 49 HN ILE 49 -3.194 -10.364 -2.204 403 HA ILE 49 HA ILE 49 -2.863 -9.270 -4.848 404 HB ILE 49 HB ILE 49 -3.727 -8.260 -2.575 405 1HG1 ILE 49 HG12 ILE 49 -3.773 -7.033 -4.674 406 2HG1 ILE 49 HG11 ILE 49 -3.143 -5.972 -3.415 407 1HG2 ILE 49 HG21 ILE 49 -1.996 -6.830 -1.496 408 2HG2 ILE 49 HG22 ILE 49 -0.767 -7.608 -2.491 409 3HG2 ILE 49 HG23 ILE 49 -1.668 -8.549 -1.305 410 1HD1 ILE 49 HD11 ILE 49 -1.720 -7.229 -5.723 411 2HD1 ILE 49 HD12 ILE 49 -0.816 -6.994 -4.227 412 3HD1 ILE 49 HD13 ILE 49 -1.545 -5.611 -5.043 413 H ARG 50 HN ARG 50 -0.571 -9.771 -2.158 414 HA ARG 50 HA ARG 50 1.749 -8.874 -3.634 415 1HB ARG 50 HB2 ARG 50 2.940 -10.070 -1.776 416 2HB ARG 50 HB1 ARG 50 1.669 -8.998 -1.186 417 1HG ARG 50 HG2 ARG 50 0.981 -10.830 -0.025 418 2HG ARG 50 HG1 ARG 50 0.268 -11.316 -1.563 419 1HD ARG 50 HD2 ARG 50 1.542 -13.213 -0.985 420 2HD ARG 50 HD1 ARG 50 2.669 -12.321 -2.027 421 HE ARG 50 HE ARG 50 3.490 -11.260 0.186 422 1HH1 ARG 50 HH21 ARG 50 2.859 -14.530 -0.482 423 2HH1 ARG 50 HH22 ARG 50 3.304 -15.100 1.091 424 1HH2 ARG 50 HH11 ARG 50 3.725 -11.921 2.413 425 2HH2 ARG 50 HH12 ARG 50 3.793 -13.622 2.732 426 H GLU 51 HN GLU 51 0.010 -11.902 -3.315 427 HA GLU 51 HA GLU 51 1.993 -13.598 -4.613 428 1HB GLU 51 HB2 GLU 51 0.390 -14.589 -3.156 429 2HB GLU 51 HB1 GLU 51 -0.942 -13.720 -3.893 430 1HG GLU 51 HG2 GLU 51 -0.689 -16.218 -4.489 431 2HG GLU 51 HG1 GLU 51 -0.927 -15.085 -5.818 432 H ASP 52 HN ASP 52 -1.158 -12.280 -5.602 433 HA ASP 52 HA ASP 52 -1.115 -13.055 -8.323 434 1HB ASP 52 HB2 ASP 52 -2.884 -11.829 -6.795 435 2HB ASP 52 HB1 ASP 52 -2.139 -10.364 -7.437 436 H ILE 53 HN ILE 53 -0.035 -9.931 -6.915 437 HA ILE 53 HA ILE 53 1.125 -8.900 -9.319 438 HB ILE 53 HB ILE 53 1.609 -8.469 -6.358 439 1HG1 ILE 53 HG12 ILE 53 0.231 -6.860 -8.534 440 2HG1 ILE 53 HG11 ILE 53 -0.560 -7.721 -7.213 441 1HG2 ILE 53 HG21 ILE 53 3.638 -7.661 -7.090 442 2HG2 ILE 53 HG22 ILE 53 2.650 -6.247 -7.457 443 3HG2 ILE 53 HG23 ILE 53 3.055 -7.394 -8.733 444 1HD1 ILE 53 HD11 ILE 53 1.345 -5.376 -6.933 445 2HD1 ILE 53 HD12 ILE 53 0.643 -6.270 -5.584 446 3HD1 ILE 53 HD13 ILE 53 -0.398 -5.340 -6.663 447 H VAL 54 HN VAL 54 2.188 -11.249 -6.975 448 HA VAL 54 HA VAL 54 5.001 -11.225 -7.544 449 HB VAL 54 HB VAL 54 3.037 -12.695 -6.011 450 1HG1 VAL 54 HG11 VAL 54 4.445 -14.881 -6.049 451 2HG1 VAL 54 HG12 VAL 54 4.960 -14.340 -7.646 452 3HG1 VAL 54 HG13 VAL 54 3.252 -14.637 -7.324 453 1HG2 VAL 54 HG21 VAL 54 6.044 -12.434 -5.912 454 2HG2 VAL 54 HG22 VAL 54 5.097 -13.250 -4.668 455 3HG2 VAL 54 HG23 VAL 54 4.856 -11.530 -4.973 456 H SER 55 HN SER 55 2.377 -13.348 -8.736 457 HA SER 55 HA SER 55 4.130 -14.227 -10.979 458 1HB SER 55 HB2 SER 55 1.474 -15.340 -10.984 459 2HB SER 55 HB1 SER 55 3.006 -16.152 -10.681 460 HG SER 55 HG SER 55 1.258 -14.876 -8.864 461 H GLY 56 HN GLY 56 3.711 -13.594 -13.090 462 1HA GLY 56 HA2 GLY 56 2.563 -12.614 -14.900 463 2HA GLY 56 HA1 GLY 56 1.153 -12.422 -13.850 464 H LYS 57 HN LYS 57 3.623 -10.767 -15.363 465 HA LYS 57 HA LYS 57 4.242 -8.699 -13.479 466 1HB LYS 57 HB2 LYS 57 5.488 -9.264 -15.564 467 2HB LYS 57 HB1 LYS 57 4.139 -8.639 -16.512 468 1HG LYS 57 HG2 LYS 57 5.890 -6.927 -16.289 469 2HG LYS 57 HG1 LYS 57 4.429 -6.421 -15.440 470 1HD LYS 57 HD2 LYS 57 5.399 -7.259 -13.313 471 2HD LYS 57 HD1 LYS 57 6.874 -7.695 -14.175 472 1HE LYS 57 HE2 LYS 57 5.783 -4.875 -14.278 473 2HE LYS 57 HE1 LYS 57 6.875 -5.403 -12.982 474 1HZ LYS 57 HZ1 LYS 57 8.455 -6.148 -14.619 475 2HZ LYS 57 HZ2 LYS 57 8.085 -4.518 -14.919 476 3HZ LYS 57 HZ3 LYS 57 7.407 -5.739 -15.888 477 H ALA 58 HN ALA 58 1.596 -8.924 -13.030 478 HA ALA 58 HA ALA 58 -0.277 -7.512 -14.568 479 1HB ALA 58 HB1 ALA 58 -1.509 -8.029 -12.737 480 2HB ALA 58 HB2 ALA 58 -0.473 -7.058 -11.690 481 3HB ALA 58 HB3 ALA 58 -0.033 -8.724 -12.066 482 H ASN 59 HN ASN 59 -1.023 -5.285 -14.410 483 HA ASN 59 HA ASN 59 1.061 -3.303 -14.333 484 1HB ASN 59 HB2 ASN 59 -1.861 -3.501 -14.726 485 2HB ASN 59 HB1 ASN 59 -1.308 -1.938 -14.124 486 1HD2 ASN 59 HD21 ASN 59 0.629 -0.982 -15.412 487 2HD2 ASN 59 HD22 ASN 59 0.635 -1.236 -17.091 488 H PHE 60 HN PHE 60 -0.083 -1.181 -12.900 489 HA PHE 60 HA PHE 60 -0.656 -1.969 -10.146 490 1HB PHE 60 HB2 PHE 60 1.809 -2.404 -10.487 491 2HB PHE 60 HB1 PHE 60 2.011 -0.678 -10.787 492 HD1 PHE 60 HD1 PHE 60 1.254 0.970 -8.982 493 HD2 PHE 60 HD2 PHE 60 1.692 -3.245 -8.277 494 HE1 PHE 60 HE1 PHE 60 1.329 1.386 -6.538 495 HE2 PHE 60 HE2 PHE 60 1.768 -2.829 -5.833 496 HZ PHE 60 HZ PHE 60 1.586 -0.513 -4.964 497 H GLU 61 HN GLU 61 0.347 0.561 -12.414 498 HA GLU 61 HA GLU 61 -0.330 2.818 -10.777 499 1HB GLU 61 HB2 GLU 61 -0.130 2.318 -13.758 500 2HB GLU 61 HB1 GLU 61 -0.409 3.923 -13.082 501 1HG GLU 61 HG2 GLU 61 1.679 3.270 -11.571 502 2HG GLU 61 HG1 GLU 61 2.030 2.200 -12.929 503 H GLU 62 HN GLU 62 -2.113 2.089 -13.765 504 HA GLU 62 HA GLU 62 -4.515 3.319 -13.154 505 1HB GLU 62 HB2 GLU 62 -3.568 1.779 -15.156 506 2HB GLU 62 HB1 GLU 62 -4.659 0.614 -14.405 507 1HG GLU 62 HG2 GLU 62 -6.547 1.853 -14.898 508 2HG GLU 62 HG1 GLU 62 -5.676 3.386 -14.864 509 H VAL 63 HN VAL 63 -3.647 -0.059 -12.324 510 HA VAL 63 HA VAL 63 -6.040 -0.756 -10.988 511 HB VAL 63 HB VAL 63 -3.453 -1.792 -11.480 512 1HG1 VAL 63 HG11 VAL 63 -2.719 -1.163 -9.242 513 2HG1 VAL 63 HG12 VAL 63 -2.948 -2.911 -9.300 514 3HG1 VAL 63 HG13 VAL 63 -4.162 -1.888 -8.532 515 1HG2 VAL 63 HG21 VAL 63 -4.569 -3.798 -11.403 516 2HG2 VAL 63 HG22 VAL 63 -5.966 -2.722 -11.455 517 3HG2 VAL 63 HG23 VAL 63 -5.423 -3.389 -9.915 518 H ALA 64 HN ALA 64 -3.135 0.897 -9.781 519 HA ALA 64 HA ALA 64 -4.071 1.091 -7.038 520 1HB ALA 64 HB1 ALA 64 -2.011 2.687 -8.599 521 2HB ALA 64 HB2 ALA 64 -1.697 1.152 -7.790 522 3HB ALA 64 HB3 ALA 64 -2.116 2.578 -6.842 523 H THR 65 HN THR 65 -3.752 3.508 -9.666 524 HA THR 65 HA THR 65 -4.810 5.776 -8.518 525 HB THR 65 HB THR 65 -5.991 5.750 -10.997 526 HG1 THR 65 HG1 THR 65 -5.483 3.721 -11.548 527 1HG2 THR 65 HG21 THR 65 -3.113 6.010 -11.249 528 2HG2 THR 65 HG22 THR 65 -3.688 6.794 -9.778 529 3HG2 THR 65 HG23 THR 65 -4.354 7.260 -11.343 530 H ARG 66 HN ARG 66 -6.568 2.816 -9.240 531 HA ARG 66 HA ARG 66 -9.187 4.123 -8.739 532 1HB ARG 66 HB2 ARG 66 -9.037 2.600 -10.600 533 2HB ARG 66 HB1 ARG 66 -8.286 1.363 -9.593 534 1HG ARG 66 HG2 ARG 66 -10.579 0.726 -9.801 535 2HG ARG 66 HG1 ARG 66 -10.414 1.407 -8.182 536 1HD ARG 66 HD2 ARG 66 -11.288 3.572 -8.985 537 2HD ARG 66 HD1 ARG 66 -11.441 2.902 -10.622 538 HE ARG 66 HE ARG 66 -13.357 1.730 -9.893 539 1HH1 ARG 66 HH11 ARG 66 -13.690 3.770 -7.709 540 2HH1 ARG 66 HH12 ARG 66 -13.792 2.768 -6.299 541 1HH2 ARG 66 HH21 ARG 66 -12.493 -0.036 -7.870 542 2HH2 ARG 66 HH22 ARG 66 -13.114 0.615 -6.390 543 H VAL 67 HN VAL 67 -7.547 1.185 -7.550 544 HA VAL 67 HA VAL 67 -9.103 1.339 -5.028 545 HB VAL 67 HB VAL 67 -9.076 -0.804 -6.109 546 1HG1 VAL 67 HG11 VAL 67 -6.603 -1.819 -6.340 547 2HG1 VAL 67 HG12 VAL 67 -6.211 -0.113 -6.558 548 3HG1 VAL 67 HG13 VAL 67 -7.361 -0.899 -7.640 549 1HG2 VAL 67 HG21 VAL 67 -8.618 -1.964 -4.222 550 2HG2 VAL 67 HG22 VAL 67 -8.079 -0.429 -3.543 551 3HG2 VAL 67 HG23 VAL 67 -6.912 -1.526 -4.281 552 H SER 68 HN SER 68 -7.662 3.378 -4.655 553 HA SER 68 HA SER 68 -5.174 2.525 -3.201 554 1HB SER 68 HB2 SER 68 -4.295 4.757 -4.015 555 2HB SER 68 HB1 SER 68 -4.584 3.577 -5.284 556 HG SER 68 HG SER 68 -6.398 4.623 -5.861 557 H ASP 69 HN ASP 69 -4.447 4.499 -1.752 558 HA ASP 69 HA ASP 69 -6.556 5.063 0.157 559 1HB ASP 69 HB2 ASP 69 -4.024 4.726 0.489 560 2HB ASP 69 HB1 ASP 69 -3.851 6.391 -0.067 561 H CYS 70 HN CYS 70 -7.881 6.110 -1.747 562 HA CYS 70 HA CYS 70 -8.710 8.052 -2.800 563 1HB CYS 70 HB2 CYS 70 -9.307 8.437 -0.483 564 2HB CYS 70 HB1 CYS 70 -7.681 9.010 -0.114 565 HG CYS 70 HG CYS 70 -9.880 10.641 -1.520 566 H SER 71 HN SER 71 -6.327 9.948 -1.055 567 HA SER 71 HA SER 71 -5.366 11.496 -3.153 568 1HB SER 71 HB2 SER 71 -4.855 11.626 -0.692 569 2HB SER 71 HB1 SER 71 -3.763 10.267 -0.889 570 HG SER 71 HG SER 71 -2.359 11.752 -1.388 571 H SER 72 HN SER 72 -4.121 8.368 -2.031 572 HA SER 72 HA SER 72 -2.033 7.980 -3.886 573 1HB SER 72 HB2 SER 72 -4.032 6.098 -2.599 574 2HB SER 72 HB1 SER 72 -2.641 5.523 -3.512 575 HG SER 72 HG SER 72 -2.370 5.782 -1.166 576 H ALA 73 HN ALA 73 -5.548 7.544 -4.284 577 HA ALA 73 HA ALA 73 -5.622 6.242 -6.790 578 1HB ALA 73 HB1 ALA 73 -7.373 8.619 -6.301 579 2HB ALA 73 HB2 ALA 73 -7.430 7.313 -5.116 580 3HB ALA 73 HB3 ALA 73 -7.820 6.989 -6.806 581 H LYS 74 HN LYS 74 -4.900 9.580 -5.933 582 HA LYS 74 HA LYS 74 -4.585 10.455 -8.726 583 1HB LYS 74 HB2 LYS 74 -5.260 11.818 -6.638 584 2HB LYS 74 HB1 LYS 74 -3.554 11.767 -6.192 585 1HG LYS 74 HG2 LYS 74 -4.246 12.604 -8.979 586 2HG LYS 74 HG1 LYS 74 -4.543 13.755 -7.676 587 1HD LYS 74 HD2 LYS 74 -2.184 13.459 -6.922 588 2HD LYS 74 HD1 LYS 74 -1.903 12.402 -8.306 589 1HE LYS 74 HE2 LYS 74 -2.441 14.229 -9.857 590 2HE LYS 74 HE1 LYS 74 -2.807 15.300 -8.490 591 1HZ LYS 74 HZ1 LYS 74 -0.510 14.678 -7.653 592 2HZ LYS 74 HZ2 LYS 74 -0.572 15.724 -8.991 593 3HZ LYS 74 HZ3 LYS 74 -0.208 14.079 -9.212 594 H ARG 75 HN ARG 75 -2.668 9.118 -6.153 595 HA ARG 75 HA ARG 75 -0.207 9.172 -7.869 596 1HB ARG 75 HB2 ARG 75 -0.690 9.525 -4.902 597 2HB ARG 75 HB1 ARG 75 0.905 9.118 -5.531 598 1HG ARG 75 HG2 ARG 75 0.089 11.195 -7.171 599 2HG ARG 75 HG1 ARG 75 -0.522 11.673 -5.589 600 1HD ARG 75 HD2 ARG 75 1.921 10.895 -4.815 601 2HD ARG 75 HD1 ARG 75 2.307 11.325 -6.494 602 HE ARG 75 HE ARG 75 0.629 13.323 -5.205 603 1HH1 ARG 75 HH21 ARG 75 2.909 13.147 -3.316 604 2HH1 ARG 75 HH22 ARG 75 4.068 14.227 -4.016 605 1HH2 ARG 75 HH11 ARG 75 2.524 14.295 -7.120 606 2HH2 ARG 75 HH12 ARG 75 3.850 14.876 -6.170 607 H GLY 76 HN GLY 76 -1.832 7.041 -8.298 608 1HA GLY 76 HA2 GLY 76 -1.551 4.888 -6.396 609 2HA GLY 76 HA1 GLY 76 -2.094 4.718 -8.066 610 H GLY 77 HN GLY 77 0.619 6.295 -8.573 611 1HA GLY 77 HA2 GLY 77 2.082 3.945 -9.373 612 2HA GLY 77 HA1 GLY 77 2.706 5.595 -9.396 613 H ASP 78 HN ASP 78 4.086 6.225 -7.775 614 HA ASP 78 HA ASP 78 4.258 4.568 -5.317 615 1HB ASP 78 HB2 ASP 78 6.576 4.022 -5.731 616 2HB ASP 78 HB1 ASP 78 5.681 3.614 -7.196 617 H LEU 79 HN LEU 79 6.048 5.528 -3.854 618 HA LEU 79 HA LEU 79 5.584 8.391 -3.542 619 1HB LEU 79 HB2 LEU 79 7.314 6.296 -2.193 620 2HB LEU 79 HB1 LEU 79 7.274 7.974 -1.657 621 HG LEU 79 HG LEU 79 4.826 7.790 -1.304 622 1HD1 LEU 79 HD11 LEU 79 3.915 5.397 -1.297 623 2HD1 LEU 79 HD12 LEU 79 5.340 4.958 -2.237 624 3HD1 LEU 79 HD13 LEU 79 4.178 6.117 -2.884 625 1HD2 LEU 79 HD21 LEU 79 5.317 5.583 0.351 626 2HD2 LEU 79 HD22 LEU 79 5.554 7.278 0.775 627 3HD2 LEU 79 HD23 LEU 79 6.898 6.333 0.134 628 H GLY 80 HN GLY 80 8.474 6.395 -4.059 629 1HA GLY 80 HA2 GLY 80 9.946 7.080 -6.006 630 2HA GLY 80 HA1 GLY 80 9.816 8.718 -5.361 631 H SER 81 HN SER 81 10.732 9.152 -3.291 632 HA SER 81 HA SER 81 12.505 7.107 -2.110 633 1HB SER 81 HB2 SER 81 14.488 8.183 -2.675 634 2HB SER 81 HB1 SER 81 13.516 8.422 -4.123 635 HG SER 81 HG SER 81 14.036 10.234 -2.010 636 H PHE 82 HN PHE 82 12.628 7.417 0.071 637 HA PHE 82 HA PHE 82 12.424 10.078 1.298 638 1HB PHE 82 HB2 PHE 82 10.294 9.393 2.496 639 2HB PHE 82 HB1 PHE 82 10.096 9.615 0.758 640 HD1 PHE 82 HD1 PHE 82 10.302 7.550 -0.755 641 HD2 PHE 82 HD2 PHE 82 9.798 7.311 3.502 642 HE1 PHE 82 HE1 PHE 82 9.566 5.199 -0.980 643 HE2 PHE 82 HE2 PHE 82 9.057 4.957 3.278 644 HZ PHE 82 HZ PHE 82 8.946 3.901 1.033 645 H GLY 83 HN GLY 83 11.423 8.847 3.831 646 1HA GLY 83 HA2 GLY 83 12.592 6.578 4.774 647 2HA GLY 83 HA1 GLY 83 13.973 7.668 4.683 648 H ARG 84 HN ARG 84 13.836 9.685 5.932 649 HA ARG 84 HA ARG 84 12.423 9.228 8.502 650 1HB ARG 84 HB2 ARG 84 14.358 11.445 7.823 651 2HB ARG 84 HB1 ARG 84 14.066 10.689 9.389 652 1HG ARG 84 HG2 ARG 84 15.480 9.488 6.995 653 2HG ARG 84 HG1 ARG 84 16.154 9.815 8.592 654 1HD ARG 84 HD2 ARG 84 14.116 7.697 7.841 655 2HD ARG 84 HD1 ARG 84 15.703 7.469 8.603 656 HE ARG 84 HE ARG 84 13.530 8.994 9.987 657 1HH1 ARG 84 HH21 ARG 84 15.104 6.015 9.792 658 2HH1 ARG 84 HH22 ARG 84 15.405 5.874 11.492 659 1HH2 ARG 84 HH11 ARG 84 14.303 9.081 12.219 660 2HH2 ARG 84 HH12 ARG 84 14.949 7.611 12.867 661 H GLY 85 HN GLY 85 10.494 10.246 8.849 662 1HA GLY 85 HA2 GLY 85 9.336 12.412 9.108 663 2HA GLY 85 HA1 GLY 85 10.087 12.931 7.603 664 H GLN 86 HN GLN 86 9.571 11.083 5.802 665 HA GLN 86 HA GLN 86 6.760 11.352 5.232 666 1HB GLN 86 HB2 GLN 86 8.576 9.266 4.029 667 2HB GLN 86 HB1 GLN 86 7.308 10.201 3.241 668 1HG GLN 86 HG2 GLN 86 8.885 12.231 3.989 669 2HG GLN 86 HG1 GLN 86 10.109 10.963 3.889 670 1HE2 GLN 86 HE21 GLN 86 11.021 12.029 1.940 671 2HE2 GLN 86 HE22 GLN 86 10.236 11.885 0.442 672 H MET 87 HN MET 87 5.473 9.255 4.647 673 HA MET 87 HA MET 87 4.397 7.307 5.439 674 1HB MET 87 HB2 MET 87 7.305 7.049 5.577 675 2HB MET 87 HB1 MET 87 6.488 5.982 6.725 676 1HG MET 87 HG2 MET 87 6.873 5.038 4.369 677 2HG MET 87 HG1 MET 87 5.235 4.914 5.005 678 1HE MET 87 HE1 MET 87 6.637 8.490 2.641 679 2HE MET 87 HE2 MET 87 7.416 7.015 2.075 680 3HE MET 87 HE3 MET 87 7.529 7.466 3.774 681 H GLN 88 HN GLN 88 4.886 5.809 7.774 682 HA GLN 88 HA GLN 88 4.408 7.814 9.956 683 1HB GLN 88 HB2 GLN 88 2.362 6.694 9.136 684 2HB GLN 88 HB1 GLN 88 3.101 5.126 9.445 685 1HG GLN 88 HG2 GLN 88 3.100 5.455 11.789 686 2HG GLN 88 HG1 GLN 88 2.821 7.190 11.629 687 1HE2 GLN 88 HE21 GLN 88 0.702 7.747 12.118 688 2HE2 GLN 88 HE22 GLN 88 -0.658 6.772 11.835 689 H LYS 89 HN LYS 89 5.039 4.343 9.486 690 HA LYS 89 HA LYS 89 7.517 4.298 10.934 691 1HB LYS 89 HB2 LYS 89 5.194 4.663 12.494 692 2HB LYS 89 HB1 LYS 89 5.673 2.983 12.742 693 1HG LYS 89 HG2 LYS 89 7.917 4.896 12.764 694 2HG LYS 89 HG1 LYS 89 6.764 5.117 14.080 695 1HD LYS 89 HD2 LYS 89 7.072 2.364 13.976 696 2HD LYS 89 HD1 LYS 89 8.698 2.961 13.644 697 1HE LYS 89 HE2 LYS 89 7.523 4.517 15.778 698 2HE LYS 89 HE1 LYS 89 7.452 2.789 16.175 699 1HZ LYS 89 HZ1 LYS 89 9.766 2.563 15.593 700 2HZ LYS 89 HZ2 LYS 89 9.608 3.784 16.763 701 3HZ LYS 89 HZ3 LYS 89 9.856 4.194 15.133 702 HA PRO 90 HA PRO 90 5.862 -0.198 10.553 703 1HB PRO 90 HB2 PRO 90 3.338 -0.520 9.521 704 2HB PRO 90 HB1 PRO 90 3.672 -0.394 11.261 705 1HG PRO 90 HG2 PRO 90 2.735 1.708 9.360 706 2HG PRO 90 HG1 PRO 90 2.190 1.360 11.010 707 1HD PRO 90 HD2 PRO 90 3.874 3.383 10.473 708 2HD PRO 90 HD1 PRO 90 3.987 2.446 11.978 709 H PHE 91 HN PHE 91 4.695 2.151 8.133 710 HA PHE 91 HA PHE 91 4.957 0.465 5.835 711 1HB PHE 91 HB2 PHE 91 3.793 2.630 5.820 712 2HB PHE 91 HB1 PHE 91 5.306 3.462 6.180 713 HD1 PHE 91 HD1 PHE 91 7.317 2.904 4.502 714 HD2 PHE 91 HD2 PHE 91 3.147 2.423 3.575 715 HE1 PHE 91 HE1 PHE 91 7.855 2.916 2.115 716 HE2 PHE 91 HE2 PHE 91 3.698 2.467 1.153 717 HZ PHE 91 HZ PHE 91 6.052 2.715 0.422 718 H GLU 92 HN GLU 92 7.200 3.003 6.978 719 HA GLU 92 HA GLU 92 9.367 2.572 5.325 720 1HB GLU 92 HB2 GLU 92 8.903 3.487 8.089 721 2HB GLU 92 HB1 GLU 92 10.551 2.931 7.792 722 1HG GLU 92 HG2 GLU 92 10.929 4.533 6.121 723 2HG GLU 92 HG1 GLU 92 9.206 4.787 5.842 724 H GLU 93 HN GLU 93 8.935 0.916 8.460 725 HA GLU 93 HA GLU 93 11.028 -0.927 8.322 726 1HB GLU 93 HB2 GLU 93 8.297 -0.791 9.506 727 2HB GLU 93 HB1 GLU 93 9.053 -2.385 9.477 728 1HG GLU 93 HG2 GLU 93 10.577 -1.818 11.058 729 2HG GLU 93 HG1 GLU 93 10.857 -0.228 10.346 730 H ALA 94 HN ALA 94 7.991 -0.879 6.563 731 HA ALA 94 HA ALA 94 8.019 -3.580 5.580 732 1HB ALA 94 HB1 ALA 94 6.931 -1.362 3.919 733 2HB ALA 94 HB2 ALA 94 6.302 -1.479 5.562 734 3HB ALA 94 HB3 ALA 94 6.141 -2.844 4.457 735 H THR 95 HN THR 95 8.806 -0.555 3.860 736 HA THR 95 HA THR 95 10.114 -1.886 1.668 737 HB THR 95 HB THR 95 10.602 0.947 2.613 738 HG1 THR 95 HG1 THR 95 8.260 -0.278 1.777 739 1HG2 THR 95 HG21 THR 95 10.415 1.287 0.079 740 2HG2 THR 95 HG22 THR 95 10.490 -0.470 -0.050 741 3HG2 THR 95 HG23 THR 95 11.839 0.421 0.654 742 H TYR 96 HN TYR 96 11.153 -0.698 4.803 743 HA TYR 96 HA TYR 96 14.015 -0.836 4.263 744 1HB TYR 96 HB2 TYR 96 12.153 -0.395 6.550 745 2HB TYR 96 HB1 TYR 96 13.778 -0.944 6.955 746 HD1 TYR 96 HD1 TYR 96 11.749 1.833 5.827 747 HD2 TYR 96 HD2 TYR 96 15.773 0.358 6.097 748 HE1 TYR 96 HE1 TYR 96 12.615 4.125 5.460 749 HE2 TYR 96 HE2 TYR 96 16.639 2.655 5.731 750 HH TYR 96 HH TYR 96 14.441 5.430 5.514 751 H ALA 97 HN ALA 97 11.507 -3.045 5.278 752 HA ALA 97 HA ALA 97 13.364 -5.102 6.259 753 1HB ALA 97 HB1 ALA 97 10.384 -4.973 5.698 754 2HB ALA 97 HB2 ALA 97 11.174 -4.829 7.269 755 3HB ALA 97 HB3 ALA 97 11.181 -6.373 6.415 756 H LEU 98 HN LEU 98 11.125 -4.749 3.479 757 HA LEU 98 HA LEU 98 12.394 -7.091 2.161 758 1HB LEU 98 HB2 LEU 98 9.862 -6.548 2.427 759 2HB LEU 98 HB1 LEU 98 10.129 -5.390 1.123 760 HG LEU 98 HG LEU 98 11.287 -8.057 0.634 761 1HD1 LEU 98 HD11 LEU 98 8.628 -8.442 -0.116 762 2HD1 LEU 98 HD12 LEU 98 8.515 -7.774 1.512 763 3HD1 LEU 98 HD13 LEU 98 9.453 -9.240 1.224 764 1HD2 LEU 98 HD21 LEU 98 10.054 -5.797 -0.789 765 2HD2 LEU 98 HD22 LEU 98 9.593 -7.371 -1.434 766 3HD2 LEU 98 HD23 LEU 98 11.295 -6.925 -1.335 767 H LYS 99 HN LYS 99 14.386 -6.307 1.349 768 HA LYS 99 HA LYS 99 14.912 -3.777 0.212 769 1HB LYS 99 HB2 LYS 99 16.756 -5.060 -0.957 770 2HB LYS 99 HB1 LYS 99 16.652 -5.358 0.778 771 1HG LYS 99 HG2 LYS 99 14.986 -7.294 -0.094 772 2HG LYS 99 HG1 LYS 99 16.047 -7.176 -1.497 773 1HD LYS 99 HD2 LYS 99 17.556 -8.423 -0.389 774 2HD LYS 99 HD1 LYS 99 17.742 -7.094 0.756 775 1HE LYS 99 HE2 LYS 99 15.361 -8.856 1.134 776 2HE LYS 99 HE1 LYS 99 16.946 -9.532 1.562 777 1HZ LYS 99 HZ1 LYS 99 15.760 -6.983 2.518 778 2HZ LYS 99 HZ2 LYS 99 17.389 -7.403 2.752 779 3HZ LYS 99 HZ3 LYS 99 16.158 -8.343 3.450 780 H VAL 100 HN VAL 100 13.804 -6.767 -1.424 781 HA VAL 100 HA VAL 100 12.100 -5.557 -3.301 782 HB VAL 100 HB VAL 100 14.958 -5.130 -3.768 783 1HG1 VAL 100 HG11 VAL 100 14.622 -5.442 -6.330 784 2HG1 VAL 100 HG12 VAL 100 13.345 -6.569 -5.872 785 3HG1 VAL 100 HG13 VAL 100 15.007 -6.866 -5.362 786 1HG2 VAL 100 HG21 VAL 100 13.385 -3.847 -5.722 787 2HG2 VAL 100 HG22 VAL 100 13.981 -3.153 -4.214 788 3HG2 VAL 100 HG23 VAL 100 12.385 -3.902 -4.270 789 H GLY 101 HN GLY 101 14.405 -8.090 -2.569 790 1HA GLY 101 HA2 GLY 101 14.106 -10.008 -4.497 791 2HA GLY 101 HA1 GLY 101 14.102 -10.428 -2.785 792 H ASP 102 HN ASP 102 11.574 -8.877 -2.347 793 HA ASP 102 HA ASP 102 9.665 -10.698 -3.777 794 1HB ASP 102 HB2 ASP 102 9.667 -9.864 -0.858 795 2HB ASP 102 HB1 ASP 102 8.508 -10.954 -1.619 796 H ILE 103 HN ILE 103 7.446 -9.514 -2.223 797 HA ILE 103 HA ILE 103 7.447 -6.706 -3.270 798 HB ILE 103 HB ILE 103 5.294 -8.826 -3.564 799 1HG1 ILE 103 HG12 ILE 103 7.140 -7.530 -5.596 800 2HG1 ILE 103 HG11 ILE 103 7.230 -9.201 -5.041 801 1HG2 ILE 103 HG21 ILE 103 4.833 -6.186 -3.351 802 2HG2 ILE 103 HG22 ILE 103 3.912 -7.214 -4.448 803 3HG2 ILE 103 HG23 ILE 103 5.255 -6.251 -5.062 804 1HD1 ILE 103 HD11 ILE 103 4.566 -8.881 -5.817 805 2HD1 ILE 103 HD12 ILE 103 5.821 -9.721 -6.727 806 3HD1 ILE 103 HD13 ILE 103 5.484 -8.021 -7.053 807 H SER 104 HN SER 104 7.923 -6.730 -0.721 808 HA SER 104 HA SER 104 7.118 -6.300 1.464 809 1HB SER 104 HB2 SER 104 6.345 -4.306 0.430 810 2HB SER 104 HB1 SER 104 5.083 -5.156 -0.455 811 HG SER 104 HG SER 104 5.196 -4.362 2.225 812 H ASP 105 HN ASP 105 4.686 -6.404 2.667 813 HA ASP 105 HA ASP 105 3.128 -8.745 1.842 814 1HB ASP 105 HB2 ASP 105 3.840 -10.052 3.877 815 2HB ASP 105 HB1 ASP 105 5.133 -9.818 2.701 816 H ILE 106 HN ILE 106 1.113 -8.047 2.404 817 HA ILE 106 HA ILE 106 -0.570 -6.826 3.559 818 HB ILE 106 HB ILE 106 0.235 -7.787 6.176 819 1HG1 ILE 106 HG12 ILE 106 0.549 -9.689 3.837 820 2HG1 ILE 106 HG11 ILE 106 1.680 -9.397 5.158 821 1HG2 ILE 106 HG21 ILE 106 -2.062 -7.458 4.804 822 2HG2 ILE 106 HG22 ILE 106 -1.924 -8.552 6.181 823 3HG2 ILE 106 HG23 ILE 106 -1.816 -9.184 4.538 824 1HD1 ILE 106 HD11 ILE 106 0.629 -11.462 5.698 825 2HD1 ILE 106 HD12 ILE 106 -0.967 -10.851 5.262 826 3HD1 ILE 106 HD13 ILE 106 -0.167 -10.264 6.720 827 H VAL 107 HN VAL 107 0.008 -4.624 3.461 828 HA VAL 107 HA VAL 107 1.842 -3.580 5.574 829 HB VAL 107 HB VAL 107 0.624 -2.231 3.144 830 1HG1 VAL 107 HG11 VAL 107 1.724 -0.981 5.214 831 2HG1 VAL 107 HG12 VAL 107 2.056 -0.460 3.562 832 3HG1 VAL 107 HG13 VAL 107 3.222 -1.469 4.420 833 1HG2 VAL 107 HG21 VAL 107 3.465 -3.178 3.248 834 2HG2 VAL 107 HG22 VAL 107 2.411 -2.956 1.852 835 3HG2 VAL 107 HG23 VAL 107 2.205 -4.360 2.898 836 H ASP 108 HN ASP 108 -0.570 -4.346 6.679 837 HA ASP 108 HA ASP 108 -2.760 -2.597 6.648 838 1HB ASP 108 HB2 ASP 108 -2.965 -3.357 9.078 839 2HB ASP 108 HB1 ASP 108 -2.824 -4.639 7.872 840 H THR 109 HN THR 109 -2.406 -0.387 6.574 841 HA THR 109 HA THR 109 -1.067 0.829 8.960 842 HB THR 109 HB THR 109 -0.273 2.535 7.092 843 HG1 THR 109 HG1 THR 109 -0.146 0.245 5.526 844 1HG2 THR 109 HG21 THR 109 1.769 1.644 7.469 845 2HG2 THR 109 HG22 THR 109 1.307 0.089 6.778 846 3HG2 THR 109 HG23 THR 109 0.925 0.454 8.461 847 H ASP 110 HN ASP 110 -1.474 3.507 8.118 848 HA ASP 110 HA ASP 110 -4.042 4.162 8.936 849 1HB ASP 110 HB2 ASP 110 -2.104 5.384 6.970 850 2HB ASP 110 HB1 ASP 110 -3.632 6.186 7.340 851 H SER 111 HN SER 111 -6.018 4.672 7.718 852 HA SER 111 HA SER 111 -7.605 4.354 5.987 853 1HB SER 111 HB2 SER 111 -5.342 3.365 4.268 854 2HB SER 111 HB1 SER 111 -6.765 4.281 3.790 855 HG SER 111 HG SER 111 -5.765 6.063 4.293 856 H GLY 112 HN GLY 112 -5.104 1.804 5.693 857 1HA GLY 112 HA2 GLY 112 -6.558 -0.308 6.816 858 2HA GLY 112 HA1 GLY 112 -7.046 -0.256 5.122 859 H VAL 113 HN VAL 113 -5.992 -2.057 4.319 860 HA VAL 113 HA VAL 113 -3.100 -2.398 4.925 861 HB VAL 113 HB VAL 113 -3.544 -4.624 3.799 862 1HG1 VAL 113 HG11 VAL 113 -3.756 -4.168 6.293 863 2HG1 VAL 113 HG12 VAL 113 -4.704 -5.532 5.700 864 3HG1 VAL 113 HG13 VAL 113 -5.491 -3.989 6.031 865 1HG2 VAL 113 HG21 VAL 113 -5.613 -3.461 2.609 866 2HG2 VAL 113 HG22 VAL 113 -6.460 -4.003 4.058 867 3HG2 VAL 113 HG23 VAL 113 -5.656 -5.176 3.016 868 H HIS 114 HN HIS 114 -1.575 -1.875 3.463 869 HA HIS 114 HA HIS 114 -2.445 -1.223 0.667 870 1HB HIS 114 HB2 HIS 114 -0.180 -0.190 2.399 871 2HB HIS 114 HB1 HIS 114 -0.524 0.361 0.763 872 HD1 HIS 114 HD1 HIS 114 -2.190 2.234 0.554 873 HD2 HIS 114 HD2 HIS 114 -2.419 0.356 4.270 874 HE1 HIS 114 HE1 HIS 114 -3.813 3.591 1.946 875 H ILE 115 HN ILE 115 -0.336 -1.298 -0.800 876 HA ILE 115 HA ILE 115 1.356 -3.671 -0.143 877 HB ILE 115 HB ILE 115 0.901 -4.406 -2.547 878 1HG1 ILE 115 HG12 ILE 115 -1.663 -2.963 -2.550 879 2HG1 ILE 115 HG11 ILE 115 -0.259 -1.913 -2.740 880 1HG2 ILE 115 HG21 ILE 115 -0.239 -5.768 -1.074 881 2HG2 ILE 115 HG22 ILE 115 -1.620 -5.001 -1.858 882 3HG2 ILE 115 HG23 ILE 115 -1.057 -4.414 -0.293 883 1HD1 ILE 115 HD11 ILE 115 -1.455 -3.658 -4.681 884 2HD1 ILE 115 HD12 ILE 115 0.191 -4.205 -4.360 885 3HD1 ILE 115 HD13 ILE 115 -0.100 -2.549 -4.891 886 H ILE 116 HN ILE 116 3.430 -2.911 -0.337 887 HA ILE 116 HA ILE 116 3.972 -0.539 -2.017 888 HB ILE 116 HB ILE 116 5.471 -2.173 0.033 889 1HG1 ILE 116 HG12 ILE 116 5.234 0.691 0.442 890 2HG1 ILE 116 HG11 ILE 116 3.650 -0.035 0.168 891 1HG2 ILE 116 HG21 ILE 116 7.089 -1.427 -1.658 892 2HG2 ILE 116 HG22 ILE 116 7.288 -0.497 -0.173 893 3HG2 ILE 116 HG23 ILE 116 6.458 0.216 -1.556 894 1HD1 ILE 116 HD11 ILE 116 4.586 0.013 2.599 895 2HD1 ILE 116 HD12 ILE 116 5.607 -1.320 2.060 896 3HD1 ILE 116 HD13 ILE 116 3.851 -1.478 2.010 897 H LYS 117 HN LYS 117 5.705 -0.502 -3.565 898 HA LYS 117 HA LYS 117 6.743 -3.119 -4.543 899 1HB LYS 117 HB2 LYS 117 4.488 -2.229 -5.621 900 2HB LYS 117 HB1 LYS 117 5.579 -1.156 -6.498 901 1HG LYS 117 HG2 LYS 117 6.460 -2.848 -7.743 902 2HG LYS 117 HG1 LYS 117 6.417 -3.991 -6.400 903 1HD LYS 117 HD2 LYS 117 4.461 -4.855 -7.105 904 2HD LYS 117 HD1 LYS 117 3.731 -3.253 -7.212 905 1HE LYS 117 HE2 LYS 117 4.074 -3.126 -9.465 906 2HE LYS 117 HE1 LYS 117 5.697 -3.834 -9.344 907 1HZ LYS 117 HZ1 LYS 117 3.111 -5.285 -9.156 908 2HZ LYS 117 HZ2 LYS 117 4.629 -5.987 -8.859 909 3HZ LYS 117 HZ3 LYS 117 4.246 -5.408 -10.409 910 H ARG 118 HN ARG 118 8.939 -2.752 -4.632 911 HA ARG 118 HA ARG 118 9.905 0.011 -5.233 912 1HB ARG 118 HB2 ARG 118 10.621 -1.018 -3.139 913 2HB ARG 118 HB1 ARG 118 11.199 -2.441 -4.005 914 1HG ARG 118 HG2 ARG 118 13.113 -1.408 -4.679 915 2HG ARG 118 HG1 ARG 118 12.292 0.125 -4.979 916 1HD ARG 118 HD2 ARG 118 12.740 0.913 -2.878 917 2HD ARG 118 HD1 ARG 118 12.460 -0.669 -2.125 918 HE ARG 118 HE ARG 118 14.757 -1.104 -3.561 919 1HH1 ARG 118 HH21 ARG 118 14.626 2.035 -2.857 920 2HH1 ARG 118 HH22 ARG 118 15.816 2.055 -1.598 921 1HH2 ARG 118 HH11 ARG 118 15.923 -1.397 -1.284 922 2HH2 ARG 118 HH12 ARG 118 16.552 0.111 -0.709 923 H THR 119 HN THR 119 11.282 -3.242 -5.827 924 HA THR 119 HA THR 119 11.384 -2.722 -8.736 925 HB THR 119 HB THR 119 14.032 -3.398 -7.685 926 HG1 THR 119 HG1 THR 119 14.380 -1.635 -6.507 927 1HG2 THR 119 HG21 THR 119 13.329 -0.884 -9.159 928 2HG2 THR 119 HG22 THR 119 13.177 -2.435 -9.984 929 3HG2 THR 119 HG23 THR 119 14.739 -1.928 -9.341 930 H ALA 120 HN ALA 120 9.940 -4.747 -7.789 931 HA ALA 120 HA ALA 120 11.698 -7.175 -7.823 932 1HB ALA 120 HB1 ALA 120 9.514 -6.268 -6.205 933 2HB ALA 120 HB2 ALA 120 10.439 -7.761 -6.044 934 3HB ALA 120 HB3 ALA 120 8.997 -7.722 -7.059 Start of MODEL 14 1 1H HIS 1 HT1 HIS 1 30.120 6.887 9.878 2 2H HIS 1 HT2 HIS 1 30.226 8.579 9.763 3 3H HIS 1 HT3 HIS 1 31.615 7.658 10.094 4 HA HIS 1 HA HIS 1 31.779 8.238 7.818 5 1HB HIS 1 HB2 HIS 1 31.357 5.584 8.841 6 2HB HIS 1 HB1 HIS 1 30.791 5.646 7.172 7 HD1 HIS 1 HD1 HIS 1 32.928 4.152 6.565 8 HD2 HIS 1 HD2 HIS 1 33.778 7.996 7.936 9 HE1 HIS 1 HE1 HIS 1 35.348 4.604 5.974 10 H MET 2 HN MET 2 28.697 6.455 8.280 11 HA MET 2 HA MET 2 26.694 6.568 7.015 12 1HB MET 2 HB2 MET 2 27.625 9.270 7.833 13 2HB MET 2 HB1 MET 2 26.319 9.233 6.649 14 1HG MET 2 HG2 MET 2 24.900 8.887 8.365 15 2HG MET 2 HG1 MET 2 25.617 7.284 8.532 16 1HE MET 2 HE1 MET 2 26.585 6.466 10.574 17 2HE MET 2 HE2 MET 2 25.014 7.152 10.980 18 3HE MET 2 HE3 MET 2 26.383 7.399 12.062 19 H ALA 3 HN ALA 3 27.762 9.516 5.480 20 HA ALA 3 HA ALA 3 28.114 10.016 3.198 21 1HB ALA 3 HB1 ALA 3 29.477 7.328 3.541 22 2HB ALA 3 HB2 ALA 3 30.218 8.922 3.693 23 3HB ALA 3 HB3 ALA 3 29.677 8.348 2.116 24 H SER 4 HN SER 4 28.049 6.556 2.577 25 HA SER 4 HA SER 4 26.393 6.479 0.388 26 1HB SER 4 HB2 SER 4 27.127 4.380 0.894 27 2HB SER 4 HB1 SER 4 27.092 4.690 2.628 28 HG SER 4 HG SER 4 25.001 3.907 0.898 29 H ARG 5 HN ARG 5 25.374 7.000 3.723 30 HA ARG 5 HA ARG 5 23.276 7.692 4.573 31 1HB ARG 5 HB2 ARG 5 23.519 8.560 1.832 32 2HB ARG 5 HB1 ARG 5 21.839 8.142 2.167 33 1HG ARG 5 HG2 ARG 5 22.444 9.506 4.432 34 2HG ARG 5 HG1 ARG 5 23.501 10.329 3.284 35 1HD ARG 5 HD2 ARG 5 21.454 10.533 1.752 36 2HD ARG 5 HD1 ARG 5 20.488 10.050 3.161 37 HE ARG 5 HE ARG 5 22.030 12.009 4.240 38 1HH1 ARG 5 HH11 ARG 5 19.132 12.429 3.332 39 2HH1 ARG 5 HH12 ARG 5 19.301 13.850 2.355 40 1HH2 ARG 5 HH21 ARG 5 22.750 13.585 2.096 41 2HH2 ARG 5 HH22 ARG 5 21.349 14.503 1.653 42 H ASP 6 HN ASP 6 20.702 7.228 3.326 43 HA ASP 6 HA ASP 6 20.637 4.268 2.952 44 1HB ASP 6 HB2 ASP 6 19.773 5.863 5.251 45 2HB ASP 6 HB1 ASP 6 18.486 4.835 4.618 46 H GLN 7 HN GLN 7 17.996 6.525 3.623 47 HA GLN 7 HA GLN 7 16.174 7.210 2.278 48 1HB GLN 7 HB2 GLN 7 18.357 7.785 0.902 49 2HB GLN 7 HB1 GLN 7 17.810 6.462 -0.130 50 1HG GLN 7 HG2 GLN 7 15.706 7.557 -0.549 51 2HG GLN 7 HG1 GLN 7 16.040 8.785 0.672 52 1HE2 GLN 7 HE21 GLN 7 15.529 9.969 -1.662 53 2HE2 GLN 7 HE22 GLN 7 16.935 10.430 -2.493 54 H VAL 8 HN VAL 8 14.556 6.248 0.705 55 HA VAL 8 HA VAL 8 14.905 3.371 0.093 56 HB VAL 8 HB VAL 8 14.237 3.226 2.369 57 1HG1 VAL 8 HG11 VAL 8 11.930 4.582 2.830 58 2HG1 VAL 8 HG12 VAL 8 12.701 5.659 1.665 59 3HG1 VAL 8 HG13 VAL 8 13.530 5.238 3.161 60 1HG2 VAL 8 HG21 VAL 8 12.618 2.229 0.396 61 2HG2 VAL 8 HG22 VAL 8 11.463 3.141 1.368 62 3HG2 VAL 8 HG23 VAL 8 12.431 1.869 2.112 63 H LYS 9 HN LYS 9 14.292 3.552 -2.079 64 HA LYS 9 HA LYS 9 12.047 5.276 -2.889 65 1HB LYS 9 HB2 LYS 9 13.884 3.323 -4.299 66 2HB LYS 9 HB1 LYS 9 12.584 4.186 -5.117 67 1HG LYS 9 HG2 LYS 9 13.825 6.223 -3.776 68 2HG LYS 9 HG1 LYS 9 15.191 5.190 -4.173 69 1HD LYS 9 HD2 LYS 9 13.486 6.846 -5.940 70 2HD LYS 9 HD1 LYS 9 15.162 6.356 -6.139 71 1HE LYS 9 HE2 LYS 9 13.920 3.957 -6.521 72 2HE LYS 9 HE1 LYS 9 12.690 5.069 -7.153 73 1HZ LYS 9 HZ1 LYS 9 14.017 5.003 -8.971 74 2HZ LYS 9 HZ2 LYS 9 15.410 4.586 -8.093 75 3HZ LYS 9 HZ3 LYS 9 14.873 6.198 -8.126 76 H ALA 10 HN ALA 10 10.158 4.290 -4.110 77 HA ALA 10 HA ALA 10 9.528 1.529 -4.161 78 1HB ALA 10 HB1 ALA 10 9.671 1.232 -1.871 79 2HB ALA 10 HB2 ALA 10 7.984 1.735 -1.978 80 3HB ALA 10 HB3 ALA 10 9.225 2.903 -1.524 81 H SER 11 HN SER 11 7.044 1.152 -4.008 82 HA SER 11 HA SER 11 5.551 3.562 -4.982 83 1HB SER 11 HB2 SER 11 4.568 2.156 -6.678 84 2HB SER 11 HB1 SER 11 6.296 1.824 -6.716 85 HG SER 11 HG SER 11 5.218 -0.124 -6.663 86 H HIS 12 HN HIS 12 2.959 2.716 -4.918 87 HA HIS 12 HA HIS 12 2.539 0.988 -2.555 88 1HB HIS 12 HB2 HIS 12 1.695 2.768 -1.136 89 2HB HIS 12 HB1 HIS 12 3.314 3.195 -1.690 90 HD1 HIS 12 HD1 HIS 12 -0.250 4.229 -1.917 91 HD2 HIS 12 HD2 HIS 12 3.366 5.258 -3.715 92 HE1 HIS 12 HE1 HIS 12 -0.650 6.416 -3.129 93 H ILE 13 HN ILE 13 0.342 0.646 -2.017 94 HA ILE 13 HA ILE 13 -1.829 1.696 -3.720 95 HB ILE 13 HB ILE 13 -0.637 -1.065 -3.852 96 1HG1 ILE 13 HG12 ILE 13 -1.832 0.943 -5.760 97 2HG1 ILE 13 HG11 ILE 13 -0.217 0.240 -5.778 98 1HG2 ILE 13 HG21 ILE 13 -2.924 -1.424 -2.956 99 2HG2 ILE 13 HG22 ILE 13 -2.772 -2.020 -4.608 100 3HG2 ILE 13 HG23 ILE 13 -3.581 -0.488 -4.298 101 1HD1 ILE 13 HD11 ILE 13 -1.681 -0.708 -7.564 102 2HD1 ILE 13 HD12 ILE 13 -2.780 -1.300 -6.319 103 3HD1 ILE 13 HD13 ILE 13 -1.139 -1.940 -6.424 104 H LEU 14 HN LEU 14 -3.976 0.487 -2.794 105 HA LEU 14 HA LEU 14 -3.696 -0.548 -0.064 106 1HB LEU 14 HB2 LEU 14 -3.305 1.760 0.408 107 2HB LEU 14 HB1 LEU 14 -4.608 2.272 -0.663 108 HG LEU 14 HG LEU 14 -5.739 0.473 1.228 109 1HD1 LEU 14 HD11 LEU 14 -3.673 1.035 2.565 110 2HD1 LEU 14 HD12 LEU 14 -5.188 1.479 3.347 111 3HD1 LEU 14 HD13 LEU 14 -4.204 2.716 2.563 112 1HD2 LEU 14 HD21 LEU 14 -6.426 2.786 -0.026 113 2HD2 LEU 14 HD22 LEU 14 -6.086 3.396 1.594 114 3HD2 LEU 14 HD23 LEU 14 -7.302 2.142 1.363 115 H ILE 15 HN ILE 15 -5.550 -1.662 0.541 116 HA ILE 15 HA ILE 15 -7.868 -1.488 -1.350 117 HB ILE 15 HB ILE 15 -6.406 -3.622 -0.847 118 1HG1 ILE 15 HG12 ILE 15 -9.432 -3.777 -0.711 119 2HG1 ILE 15 HG11 ILE 15 -8.512 -3.528 -2.195 120 1HG2 ILE 15 HG21 ILE 15 -6.724 -3.315 1.652 121 2HG2 ILE 15 HG22 ILE 15 -7.095 -4.926 1.040 122 3HG2 ILE 15 HG23 ILE 15 -8.402 -3.804 1.420 123 1HD1 ILE 15 HD11 ILE 15 -7.512 -5.675 -2.063 124 2HD1 ILE 15 HD12 ILE 15 -9.202 -5.947 -1.639 125 3HD1 ILE 15 HD13 ILE 15 -7.976 -5.875 -0.374 126 H LYS 16 HN LYS 16 -10.021 -2.144 -0.079 127 HA LYS 16 HA LYS 16 -10.259 -0.210 2.145 128 1HB LYS 16 HB2 LYS 16 -12.419 -1.934 0.924 129 2HB LYS 16 HB1 LYS 16 -12.584 -0.345 1.667 130 1HG LYS 16 HG2 LYS 16 -11.190 -0.971 -0.953 131 2HG LYS 16 HG1 LYS 16 -12.714 -0.106 -0.756 132 1HD LYS 16 HD2 LYS 16 -11.633 1.834 -0.394 133 2HD LYS 16 HD1 LYS 16 -10.659 1.104 0.883 134 1HE LYS 16 HE2 LYS 16 -9.495 -0.002 -1.331 135 2HE LYS 16 HE1 LYS 16 -9.970 1.592 -1.952 136 1HZ LYS 16 HZ1 LYS 16 -9.100 2.294 0.431 137 2HZ LYS 16 HZ2 LYS 16 -8.061 2.191 -0.909 138 3HZ LYS 16 HZ3 LYS 16 -8.129 0.921 0.215 139 H HIS 17 HN HIS 17 -11.276 -0.809 4.176 140 HA HIS 17 HA HIS 17 -11.915 -3.493 4.948 141 1HB HIS 17 HB2 HIS 17 -9.890 -4.131 6.093 142 2HB HIS 17 HB1 HIS 17 -9.418 -3.626 4.476 143 HD1 HIS 17 HD1 HIS 17 -9.510 -0.543 4.897 144 HD2 HIS 17 HD2 HIS 17 -7.689 -3.213 7.530 145 HE1 HIS 17 HE1 HIS 17 -7.814 0.794 6.211 146 H GLN 18 HN GLN 18 -10.827 -3.267 7.658 147 HA GLN 18 HA GLN 18 -12.840 -1.900 9.033 148 1HB GLN 18 HB2 GLN 18 -10.038 -2.778 9.578 149 2HB GLN 18 HB1 GLN 18 -10.786 -1.706 10.762 150 1HG GLN 18 HG2 GLN 18 -12.578 -3.850 9.882 151 2HG GLN 18 HG1 GLN 18 -11.113 -4.455 10.653 152 1HE2 GLN 18 HE21 GLN 18 -13.403 -1.710 11.223 153 2HE2 GLN 18 HE22 GLN 18 -13.517 -1.971 12.896 154 H GLY 19 HN GLY 19 -10.046 -0.591 7.429 155 1HA GLY 19 HA2 GLY 19 -9.529 1.818 8.676 156 2HA GLY 19 HA1 GLY 19 -9.549 1.657 6.919 157 H SER 20 HN SER 20 -10.407 3.978 8.438 158 HA SER 20 HA SER 20 -13.119 4.333 8.907 159 1HB SER 20 HB2 SER 20 -11.288 6.018 9.096 160 2HB SER 20 HB1 SER 20 -11.263 6.156 7.340 161 HG SER 20 HG SER 20 -13.616 6.526 8.867 162 H ARG 21 HN ARG 21 -11.492 4.183 5.742 163 HA ARG 21 HA ARG 21 -13.928 4.750 4.229 164 1HB ARG 21 HB2 ARG 21 -11.058 4.203 3.796 165 2HB ARG 21 HB1 ARG 21 -12.109 3.634 2.498 166 1HG ARG 21 HG2 ARG 21 -12.940 5.796 2.058 167 2HG ARG 21 HG1 ARG 21 -12.413 6.413 3.625 168 1HD ARG 21 HD2 ARG 21 -10.417 5.406 1.585 169 2HD ARG 21 HD1 ARG 21 -10.975 7.091 1.593 170 HE ARG 21 HE ARG 21 -9.586 5.763 3.886 171 1HH1 ARG 21 HH11 ARG 21 -9.286 8.266 1.757 172 2HH1 ARG 21 HH12 ARG 21 -9.099 9.518 2.938 173 1HH2 ARG 21 HH21 ARG 21 -9.965 7.488 5.613 174 2HH2 ARG 21 HH22 ARG 21 -9.487 9.079 5.122 175 H ARG 22 HN ARG 22 -15.051 3.189 2.898 176 HA ARG 22 HA ARG 22 -14.655 0.332 3.736 177 1HB ARG 22 HB2 ARG 22 -16.856 2.130 4.033 178 2HB ARG 22 HB1 ARG 22 -17.332 0.885 2.877 179 1HG ARG 22 HG2 ARG 22 -17.855 -0.222 4.832 180 2HG ARG 22 HG1 ARG 22 -16.164 -0.702 4.685 181 1HD ARG 22 HD2 ARG 22 -15.469 0.726 6.383 182 2HD ARG 22 HD1 ARG 22 -16.808 1.860 6.115 183 HE ARG 22 HE ARG 22 -17.568 -0.845 7.027 184 1HH1 ARG 22 HH11 ARG 22 -15.985 0.717 9.130 185 2HH1 ARG 22 HH12 ARG 22 -17.269 1.475 10.012 186 1HH2 ARG 22 HH21 ARG 22 -19.652 0.888 7.563 187 2HH2 ARG 22 HH22 ARG 22 -19.345 1.570 9.125 188 H LYS 23 HN LYS 23 -15.700 2.542 1.144 189 HA LYS 23 HA LYS 23 -14.973 0.419 -0.836 190 1HB LYS 23 HB2 LYS 23 -17.572 1.574 -0.198 191 2HB LYS 23 HB1 LYS 23 -17.159 1.818 -1.895 192 1HG LYS 23 HG2 LYS 23 -16.426 -0.731 -1.729 193 2HG LYS 23 HG1 LYS 23 -17.579 -0.738 -0.394 194 1HD LYS 23 HD2 LYS 23 -19.134 -1.098 -2.013 195 2HD LYS 23 HD1 LYS 23 -18.975 0.631 -2.321 196 1HE LYS 23 HE2 LYS 23 -17.202 0.157 -4.003 197 2HE LYS 23 HE1 LYS 23 -17.437 -1.580 -3.729 198 1HZ LYS 23 HZ1 LYS 23 -18.874 -1.087 -5.485 199 2HZ LYS 23 HZ2 LYS 23 -19.367 0.388 -4.801 200 3HZ LYS 23 HZ3 LYS 23 -19.889 -1.082 -4.126 201 H ALA 24 HN ALA 24 -13.776 3.065 0.177 202 HA ALA 24 HA ALA 24 -12.624 4.885 -0.800 203 1HB ALA 24 HB1 ALA 24 -11.493 3.616 -2.329 204 2HB ALA 24 HB2 ALA 24 -12.595 4.355 -3.490 205 3HB ALA 24 HB3 ALA 24 -12.952 2.760 -2.829 206 H SER 25 HN SER 25 -15.629 4.899 -0.562 207 HA SER 25 HA SER 25 -16.844 6.112 -2.846 208 1HB SER 25 HB2 SER 25 -17.811 7.013 -0.231 209 2HB SER 25 HB1 SER 25 -18.631 6.045 -1.453 210 HG SER 25 HG SER 25 -18.108 5.003 0.635 211 H TRP 26 HN TRP 26 -15.739 7.873 -3.743 212 HA TRP 26 HA TRP 26 -14.296 9.880 -2.357 213 1HB TRP 26 HB2 TRP 26 -15.448 9.373 -5.007 214 2HB TRP 26 HB1 TRP 26 -15.357 11.092 -4.620 215 HD1 TRP 26 HD1 TRP 26 -13.161 7.986 -5.025 216 HE1 TRP 26 HE1 TRP 26 -10.715 8.740 -5.344 217 HE3 TRP 26 HE3 TRP 26 -13.667 12.999 -4.194 218 HZ2 TRP 26 HZ2 TRP 26 -9.178 11.149 -5.255 219 HZ3 TRP 26 HZ3 TRP 26 -11.697 14.498 -4.316 220 HH2 TRP 26 HH2 TRP 26 -9.455 13.580 -4.846 221 H LYS 27 HN LYS 27 -15.504 12.317 -3.220 222 HA LYS 27 HA LYS 27 -17.342 12.806 -1.025 223 1HB LYS 27 HB2 LYS 27 -16.400 14.407 -3.422 224 2HB LYS 27 HB1 LYS 27 -17.392 15.084 -2.130 225 1HG LYS 27 HG2 LYS 27 -15.669 15.085 -0.622 226 2HG LYS 27 HG1 LYS 27 -14.959 13.608 -1.276 227 1HD LYS 27 HD2 LYS 27 -13.413 14.950 -2.237 228 2HD LYS 27 HD1 LYS 27 -14.688 15.416 -3.363 229 1HE LYS 27 HE2 LYS 27 -14.419 17.535 -2.584 230 2HE LYS 27 HE1 LYS 27 -15.171 16.974 -1.077 231 1HZ LYS 27 HZ1 LYS 27 -12.904 16.084 -0.485 232 2HZ LYS 27 HZ2 LYS 27 -13.054 17.776 -0.467 233 3HZ LYS 27 HZ3 LYS 27 -12.289 17.002 -1.771 234 H ASP 28 HN ASP 28 -17.719 12.087 -4.449 235 HA ASP 28 HA ASP 28 -20.472 13.020 -4.628 236 1HB ASP 28 HB2 ASP 28 -18.391 12.180 -6.325 237 2HB ASP 28 HB1 ASP 28 -19.696 11.019 -6.574 238 HA PRO 29 HA PRO 29 -21.517 8.353 -4.467 239 1HB PRO 29 HB2 PRO 29 -19.528 6.612 -3.747 240 2HB PRO 29 HB1 PRO 29 -19.848 7.078 -5.430 241 1HG PRO 29 HG2 PRO 29 -17.764 8.076 -3.555 242 2HG PRO 29 HG1 PRO 29 -17.645 7.720 -5.285 243 1HD PRO 29 HD2 PRO 29 -17.889 10.242 -4.301 244 2HD PRO 29 HD1 PRO 29 -18.501 9.758 -5.897 245 H GLU 30 HN GLU 30 -22.359 7.270 -2.621 246 HA GLU 30 HA GLU 30 -21.139 7.964 0.026 247 1HB GLU 30 HB2 GLU 30 -23.775 8.633 -1.161 248 2HB GLU 30 HB1 GLU 30 -23.821 8.071 0.510 249 1HG GLU 30 HG2 GLU 30 -21.645 9.855 0.374 250 2HG GLU 30 HG1 GLU 30 -22.952 10.631 -0.521 251 H GLY 31 HN GLY 31 -20.944 6.145 1.279 252 1HA GLY 31 HA2 GLY 31 -22.840 3.889 0.800 253 2HA GLY 31 HA1 GLY 31 -21.105 3.581 0.889 254 H LYS 32 HN LYS 32 -23.865 3.483 2.698 255 HA LYS 32 HA LYS 32 -22.419 4.116 5.247 256 1HB LYS 32 HB2 LYS 32 -25.219 4.332 4.244 257 2HB LYS 32 HB1 LYS 32 -25.011 3.941 5.952 258 1HG LYS 32 HG2 LYS 32 -23.531 5.907 6.215 259 2HG LYS 32 HG1 LYS 32 -23.779 6.311 4.515 260 1HD LYS 32 HD2 LYS 32 -26.190 6.561 4.906 261 2HD LYS 32 HD1 LYS 32 -25.974 6.115 6.599 262 1HE LYS 32 HE2 LYS 32 -24.159 8.142 6.398 263 2HE LYS 32 HE1 LYS 32 -25.397 8.688 5.249 264 1HZ LYS 32 HZ1 LYS 32 -25.899 7.760 8.027 265 2HZ LYS 32 HZ2 LYS 32 -27.091 8.246 6.919 266 3HZ LYS 32 HZ3 LYS 32 -25.960 9.372 7.502 267 H ILE 33 HN ILE 33 -21.517 2.182 5.921 268 HA ILE 33 HA ILE 33 -21.386 -0.089 6.565 269 HB ILE 33 HB ILE 33 -24.327 0.451 7.075 270 1HG1 ILE 33 HG12 ILE 33 -22.141 0.860 9.097 271 2HG1 ILE 33 HG11 ILE 33 -22.477 2.133 7.923 272 1HG2 ILE 33 HG21 ILE 33 -22.850 -1.867 7.421 273 2HG2 ILE 33 HG22 ILE 33 -24.337 -1.466 8.280 274 3HG2 ILE 33 HG23 ILE 33 -22.773 -1.109 9.012 275 1HD1 ILE 33 HD11 ILE 33 -23.784 2.455 10.001 276 2HD1 ILE 33 HD12 ILE 33 -24.529 0.874 9.768 277 3HD1 ILE 33 HD13 ILE 33 -24.836 2.171 8.614 278 H ILE 34 HN ILE 34 -21.121 -0.687 4.210 279 HA ILE 34 HA ILE 34 -23.503 -2.225 3.219 280 HB ILE 34 HB ILE 34 -21.330 -0.722 1.719 281 1HG1 ILE 34 HG12 ILE 34 -24.243 -0.163 1.405 282 2HG1 ILE 34 HG11 ILE 34 -23.492 0.356 2.914 283 1HG2 ILE 34 HG21 ILE 34 -23.467 -1.461 0.018 284 2HG2 ILE 34 HG22 ILE 34 -23.029 -2.913 0.916 285 3HG2 ILE 34 HG23 ILE 34 -21.809 -2.060 -0.029 286 1HD1 ILE 34 HD11 ILE 34 -23.464 1.819 0.598 287 2HD1 ILE 34 HD12 ILE 34 -21.919 0.973 0.494 288 3HD1 ILE 34 HD13 ILE 34 -22.278 1.985 1.893 289 H LEU 35 HN LEU 35 -20.110 -2.128 2.142 290 HA LEU 35 HA LEU 35 -19.755 -4.947 3.082 291 1HB LEU 35 HB2 LEU 35 -20.460 -5.006 0.742 292 2HB LEU 35 HB1 LEU 35 -19.243 -3.802 0.315 293 HG LEU 35 HG LEU 35 -17.450 -5.343 0.943 294 1HD1 LEU 35 HD11 LEU 35 -19.724 -7.233 1.626 295 2HD1 LEU 35 HD12 LEU 35 -18.593 -6.508 2.769 296 3HD1 LEU 35 HD13 LEU 35 -18.019 -7.681 1.583 297 1HD2 LEU 35 HD21 LEU 35 -17.558 -6.586 -0.995 298 2HD2 LEU 35 HD22 LEU 35 -18.912 -5.501 -1.310 299 3HD2 LEU 35 HD23 LEU 35 -19.209 -7.121 -0.681 300 H THR 36 HN THR 36 -17.828 -5.080 4.197 301 HA THR 36 HA THR 36 -15.636 -3.183 3.435 302 HB THR 36 HB THR 36 -16.991 -2.426 5.409 303 HG1 THR 36 HG1 THR 36 -15.211 -1.817 6.443 304 1HG2 THR 36 HG21 THR 36 -17.676 -4.010 6.852 305 2HG2 THR 36 HG22 THR 36 -16.008 -4.143 7.408 306 3HG2 THR 36 HG23 THR 36 -16.597 -5.203 6.127 307 H THR 37 HN THR 37 -14.120 -4.172 5.777 308 HA THR 37 HA THR 37 -13.730 -7.023 5.636 309 HB THR 37 HB THR 37 -12.483 -5.237 3.625 310 HG1 THR 37 HG1 THR 37 -12.584 -7.104 2.454 311 1HG2 THR 37 HG21 THR 37 -10.519 -7.100 3.656 312 2HG2 THR 37 HG22 THR 37 -10.814 -6.955 5.387 313 3HG2 THR 37 HG23 THR 37 -10.366 -5.532 4.448 314 H THR 38 HN THR 38 -12.601 -7.506 7.524 315 HA THR 38 HA THR 38 -11.266 -5.248 8.922 316 HB THR 38 HB THR 38 -11.363 -6.938 10.827 317 HG1 THR 38 HG1 THR 38 -12.208 -8.855 10.449 318 1HG2 THR 38 HG21 THR 38 -13.131 -5.454 10.957 319 2HG2 THR 38 HG22 THR 38 -14.017 -6.956 10.701 320 3HG2 THR 38 HG23 THR 38 -13.727 -5.862 9.348 321 H ARG 39 HN ARG 39 -9.283 -6.181 10.340 322 HA ARG 39 HA ARG 39 -7.048 -6.548 8.779 323 1HB ARG 39 HB2 ARG 39 -6.046 -7.575 10.788 324 2HB ARG 39 HB1 ARG 39 -7.108 -6.241 11.238 325 1HG ARG 39 HG2 ARG 39 -8.945 -7.903 11.619 326 2HG ARG 39 HG1 ARG 39 -7.781 -9.194 11.320 327 1HD ARG 39 HD2 ARG 39 -6.524 -7.515 13.197 328 2HD ARG 39 HD1 ARG 39 -8.202 -7.671 13.754 329 HE ARG 39 HE ARG 39 -7.617 -10.243 13.055 330 1HH1 ARG 39 HH11 ARG 39 -6.250 -7.868 15.134 331 2HH1 ARG 39 HH12 ARG 39 -5.324 -9.008 16.051 332 1HH2 ARG 39 HH21 ARG 39 -6.285 -11.735 14.142 333 2HH2 ARG 39 HH22 ARG 39 -5.343 -11.194 15.491 334 H GLU 40 HN GLU 40 -9.206 -9.137 9.922 335 HA GLU 40 HA GLU 40 -7.701 -11.301 8.717 336 1HB GLU 40 HB2 GLU 40 -9.387 -11.373 10.616 337 2HB GLU 40 HB1 GLU 40 -10.650 -11.140 9.410 338 1HG GLU 40 HG2 GLU 40 -10.373 -13.533 9.898 339 2HG GLU 40 HG1 GLU 40 -9.896 -13.186 8.235 340 H ALA 41 HN ALA 41 -10.765 -9.687 7.808 341 HA ALA 41 HA ALA 41 -11.017 -10.979 5.254 342 1HB ALA 41 HB1 ALA 41 -12.111 -8.260 5.486 343 2HB ALA 41 HB2 ALA 41 -12.464 -9.254 6.898 344 3HB ALA 41 HB3 ALA 41 -12.966 -9.790 5.295 345 H ALA 42 HN ALA 42 -9.155 -8.265 6.392 346 HA ALA 42 HA ALA 42 -8.578 -7.152 3.750 347 1HB ALA 42 HB1 ALA 42 -6.824 -5.938 5.213 348 2HB ALA 42 HB2 ALA 42 -7.546 -6.798 6.572 349 3HB ALA 42 HB3 ALA 42 -8.519 -5.672 5.624 350 H VAL 43 HN VAL 43 -6.724 -8.975 6.203 351 HA VAL 43 HA VAL 43 -4.383 -9.381 4.637 352 HB VAL 43 HB VAL 43 -4.875 -9.823 7.140 353 1HG1 VAL 43 HG11 VAL 43 -5.354 -12.360 7.458 354 2HG1 VAL 43 HG12 VAL 43 -6.074 -12.269 5.854 355 3HG1 VAL 43 HG13 VAL 43 -6.707 -11.275 7.163 356 1HG2 VAL 43 HG21 VAL 43 -3.401 -12.140 6.725 357 2HG2 VAL 43 HG22 VAL 43 -2.741 -10.508 6.829 358 3HG2 VAL 43 HG23 VAL 43 -3.115 -11.209 5.255 359 H GLU 44 HN GLU 44 -7.527 -10.945 4.653 360 HA GLU 44 HA GLU 44 -6.770 -13.226 3.014 361 1HB GLU 44 HB2 GLU 44 -9.140 -11.996 4.241 362 2HB GLU 44 HB1 GLU 44 -9.485 -12.733 2.676 363 1HG GLU 44 HG2 GLU 44 -7.919 -14.655 3.802 364 2HG GLU 44 HG1 GLU 44 -8.722 -14.010 5.233 365 H GLN 45 HN GLN 45 -8.230 -10.047 2.443 366 HA GLN 45 HA GLN 45 -8.573 -10.321 -0.403 367 1HB GLN 45 HB2 GLN 45 -8.881 -8.372 1.724 368 2HB GLN 45 HB1 GLN 45 -8.193 -7.611 0.289 369 1HG GLN 45 HG2 GLN 45 -10.702 -9.313 0.340 370 2HG GLN 45 HG1 GLN 45 -10.662 -7.553 0.229 371 1HE2 GLN 45 HE21 GLN 45 -11.919 -8.559 -1.893 372 2HE2 GLN 45 HE22 GLN 45 -10.926 -8.657 -3.267 373 H LEU 46 HN LEU 46 -5.975 -9.026 1.643 374 HA LEU 46 HA LEU 46 -4.320 -8.220 -0.629 375 1HB LEU 46 HB2 LEU 46 -4.379 -8.019 2.274 376 2HB LEU 46 HB1 LEU 46 -2.762 -8.434 1.702 377 HG LEU 46 HG LEU 46 -2.868 -6.543 0.092 378 1HD1 LEU 46 HD11 LEU 46 -4.838 -5.562 -0.380 379 2HD1 LEU 46 HD12 LEU 46 -5.033 -5.095 1.309 380 3HD1 LEU 46 HD13 LEU 46 -5.629 -6.658 0.753 381 1HD2 LEU 46 HD21 LEU 46 -3.191 -6.106 3.049 382 2HD2 LEU 46 HD22 LEU 46 -3.057 -4.711 1.979 383 3HD2 LEU 46 HD23 LEU 46 -1.756 -5.899 2.043 384 H LYS 47 HN LYS 47 -4.906 -11.142 1.128 385 HA LYS 47 HA LYS 47 -2.374 -12.455 0.750 386 1HB LYS 47 HB2 LYS 47 -5.028 -12.994 1.726 387 2HB LYS 47 HB1 LYS 47 -4.535 -14.310 0.659 388 1HG LYS 47 HG2 LYS 47 -2.604 -14.785 1.951 389 2HG LYS 47 HG1 LYS 47 -2.701 -13.246 2.809 390 1HD LYS 47 HD2 LYS 47 -5.174 -14.517 3.260 391 2HD LYS 47 HD1 LYS 47 -3.950 -15.772 3.468 392 1HE LYS 47 HE2 LYS 47 -2.762 -13.697 4.792 393 2HE LYS 47 HE1 LYS 47 -4.476 -13.373 5.123 394 1HZ LYS 47 HZ1 LYS 47 -3.453 -14.975 6.698 395 2HZ LYS 47 HZ2 LYS 47 -3.200 -16.042 5.400 396 3HZ LYS 47 HZ3 LYS 47 -4.780 -15.612 5.856 397 H SER 48 HN SER 48 -5.411 -12.520 -1.115 398 HA SER 48 HA SER 48 -4.361 -14.110 -3.297 399 1HB SER 48 HB2 SER 48 -6.733 -14.003 -2.885 400 2HB SER 48 HB1 SER 48 -6.719 -12.242 -2.920 401 HG SER 48 HG SER 48 -6.867 -12.325 -5.011 402 H ILE 49 HN ILE 49 -4.636 -10.640 -2.630 403 HA ILE 49 HA ILE 49 -3.958 -9.587 -5.154 404 HB ILE 49 HB ILE 49 -4.295 -8.711 -2.505 405 1HG1 ILE 49 HG12 ILE 49 -5.091 -7.692 -4.667 406 2HG1 ILE 49 HG11 ILE 49 -4.450 -6.519 -3.515 407 1HG2 ILE 49 HG21 ILE 49 -1.538 -8.005 -3.544 408 2HG2 ILE 49 HG22 ILE 49 -1.941 -8.763 -2.005 409 3HG2 ILE 49 HG23 ILE 49 -2.366 -7.077 -2.293 410 1HD1 ILE 49 HD11 ILE 49 -2.237 -7.428 -5.022 411 2HD1 ILE 49 HD12 ILE 49 -2.995 -5.837 -5.089 412 3HD1 ILE 49 HD13 ILE 49 -3.527 -7.114 -6.183 413 H ARG 50 HN ARG 50 -1.773 -10.562 -2.499 414 HA ARG 50 HA ARG 50 0.711 -10.152 -3.783 415 1HB ARG 50 HB2 ARG 50 0.529 -10.795 -1.448 416 2HB ARG 50 HB1 ARG 50 -0.292 -12.296 -1.879 417 1HG ARG 50 HG2 ARG 50 2.228 -12.098 -3.286 418 2HG ARG 50 HG1 ARG 50 2.481 -11.917 -1.550 419 1HD ARG 50 HD2 ARG 50 1.358 -14.016 -1.095 420 2HD ARG 50 HD1 ARG 50 0.860 -14.167 -2.792 421 HE ARG 50 HE ARG 50 2.996 -15.108 -3.131 422 1HH1 ARG 50 HH11 ARG 50 4.094 -12.257 -2.922 423 2HH1 ARG 50 HH12 ARG 50 5.363 -12.480 -1.765 424 1HH2 ARG 50 HH21 ARG 50 4.200 -15.567 -0.692 425 2HH2 ARG 50 HH22 ARG 50 5.422 -14.355 -0.499 426 H GLU 51 HN GLU 51 -1.372 -13.042 -3.750 427 HA GLU 51 HA GLU 51 0.073 -14.672 -5.572 428 1HB GLU 51 HB2 GLU 51 -1.681 -15.809 -4.617 429 2HB GLU 51 HB1 GLU 51 -2.641 -14.359 -4.425 430 1HG GLU 51 HG2 GLU 51 -3.641 -16.066 -5.983 431 2HG GLU 51 HG1 GLU 51 -3.398 -14.481 -6.713 432 H ASP 52 HN ASP 52 -2.774 -12.646 -6.244 433 HA ASP 52 HA ASP 52 -2.742 -12.677 -9.043 434 1HB ASP 52 HB2 ASP 52 -3.483 -10.701 -6.911 435 2HB ASP 52 HB1 ASP 52 -3.476 -10.131 -8.580 436 H ILE 53 HN ILE 53 -1.064 -10.276 -6.959 437 HA ILE 53 HA ILE 53 0.480 -9.011 -8.979 438 HB ILE 53 HB ILE 53 1.154 -9.662 -6.086 439 1HG1 ILE 53 HG12 ILE 53 -1.043 -8.427 -6.624 440 2HG1 ILE 53 HG11 ILE 53 0.055 -7.635 -5.497 441 1HG2 ILE 53 HG21 ILE 53 2.235 -7.563 -7.990 442 2HG2 ILE 53 HG22 ILE 53 3.131 -8.918 -7.302 443 3HG2 ILE 53 HG23 ILE 53 2.573 -7.609 -6.260 444 1HD1 ILE 53 HD11 ILE 53 0.835 -6.119 -7.170 445 2HD1 ILE 53 HD12 ILE 53 -0.919 -6.156 -7.342 446 3HD1 ILE 53 HD13 ILE 53 0.095 -7.059 -8.467 447 H VAL 54 HN VAL 54 0.806 -12.092 -7.351 448 HA VAL 54 HA VAL 54 3.520 -12.642 -8.278 449 HB VAL 54 HB VAL 54 1.319 -13.994 -6.770 450 1HG1 VAL 54 HG11 VAL 54 3.474 -15.444 -8.285 451 2HG1 VAL 54 HG12 VAL 54 1.758 -15.833 -8.167 452 3HG1 VAL 54 HG13 VAL 54 2.819 -16.098 -6.784 453 1HG2 VAL 54 HG21 VAL 54 2.889 -14.100 -5.069 454 2HG2 VAL 54 HG22 VAL 54 3.387 -12.634 -5.913 455 3HG2 VAL 54 HG23 VAL 54 4.250 -14.147 -6.191 456 H SER 55 HN SER 55 0.421 -14.299 -8.963 457 HA SER 55 HA SER 55 1.455 -15.024 -11.664 458 1HB SER 55 HB2 SER 55 -1.173 -16.030 -10.983 459 2HB SER 55 HB1 SER 55 0.314 -16.928 -11.268 460 HG SER 55 HG SER 55 -0.580 -17.131 -9.112 461 H GLY 56 HN GLY 56 0.468 -14.217 -13.532 462 1HA GLY 56 HA2 GLY 56 -1.462 -13.273 -14.703 463 2HA GLY 56 HA1 GLY 56 -1.959 -12.526 -13.183 464 H LYS 57 HN LYS 57 -0.426 -11.943 -16.101 465 HA LYS 57 HA LYS 57 1.543 -9.979 -15.261 466 1HB LYS 57 HB2 LYS 57 1.454 -11.324 -17.404 467 2HB LYS 57 HB1 LYS 57 0.117 -10.294 -17.916 468 1HG LYS 57 HG2 LYS 57 1.463 -8.411 -18.124 469 2HG LYS 57 HG1 LYS 57 2.654 -9.009 -16.967 470 1HD LYS 57 HD2 LYS 57 3.634 -10.463 -18.531 471 2HD LYS 57 HD1 LYS 57 2.213 -10.445 -19.576 472 1HE LYS 57 HE2 LYS 57 4.056 -8.074 -19.099 473 2HE LYS 57 HE1 LYS 57 4.025 -9.078 -20.562 474 1HZ LYS 57 HZ1 LYS 57 1.410 -8.496 -20.156 475 2HZ LYS 57 HZ2 LYS 57 2.428 -7.692 -21.253 476 3HZ LYS 57 HZ3 LYS 57 2.170 -7.049 -19.702 477 H ALA 58 HN ALA 58 -0.741 -9.282 -13.850 478 HA ALA 58 HA ALA 58 -2.387 -7.337 -15.243 479 1HB ALA 58 HB1 ALA 58 -2.368 -6.982 -12.418 480 2HB ALA 58 HB2 ALA 58 -2.174 -8.708 -12.730 481 3HB ALA 58 HB3 ALA 58 -3.564 -7.844 -13.387 482 H ASN 59 HN ASN 59 -2.466 -5.012 -14.259 483 HA ASN 59 HA ASN 59 0.285 -3.898 -14.368 484 1HB ASN 59 HB2 ASN 59 -2.530 -2.944 -14.747 485 2HB ASN 59 HB1 ASN 59 -1.295 -1.754 -14.335 486 1HD2 ASN 59 HD21 ASN 59 -2.620 -3.605 -16.921 487 2HD2 ASN 59 HD22 ASN 59 -1.442 -3.235 -18.085 488 H PHE 60 HN PHE 60 0.114 -1.628 -12.883 489 HA PHE 60 HA PHE 60 -0.806 -2.395 -10.153 490 1HB PHE 60 HB2 PHE 60 1.504 -3.169 -10.389 491 2HB PHE 60 HB1 PHE 60 1.999 -1.580 -10.971 492 HD1 PHE 60 HD1 PHE 60 1.508 0.444 -9.401 493 HD2 PHE 60 HD2 PHE 60 1.584 -3.645 -8.093 494 HE1 PHE 60 HE1 PHE 60 1.850 1.199 -7.063 495 HE2 PHE 60 HE2 PHE 60 1.927 -2.891 -5.756 496 HZ PHE 60 HZ PHE 60 2.060 -0.469 -5.240 497 H GLU 61 HN GLU 61 0.630 0.120 -12.226 498 HA GLU 61 HA GLU 61 0.235 2.352 -10.514 499 1HB GLU 61 HB2 GLU 61 0.290 1.967 -13.518 500 2HB GLU 61 HB1 GLU 61 0.206 3.565 -12.777 501 1HG GLU 61 HG2 GLU 61 2.281 3.121 -11.537 502 2HG GLU 61 HG1 GLU 61 2.365 1.504 -12.238 503 H GLU 62 HN GLU 62 -1.746 1.917 -13.447 504 HA GLU 62 HA GLU 62 -3.944 3.454 -12.751 505 1HB GLU 62 HB2 GLU 62 -3.437 2.142 -14.878 506 2HB GLU 62 HB1 GLU 62 -4.091 0.721 -14.064 507 1HG GLU 62 HG2 GLU 62 -6.030 1.450 -15.052 508 2HG GLU 62 HG1 GLU 62 -6.109 2.437 -13.592 509 H VAL 63 HN VAL 63 -3.385 0.041 -11.839 510 HA VAL 63 HA VAL 63 -5.802 -0.467 -10.467 511 HB VAL 63 HB VAL 63 -2.932 -1.355 -10.145 512 1HG1 VAL 63 HG11 VAL 63 -4.063 -1.477 -7.925 513 2HG1 VAL 63 HG12 VAL 63 -3.679 -3.071 -8.574 514 3HG1 VAL 63 HG13 VAL 63 -5.332 -2.461 -8.655 515 1HG2 VAL 63 HG21 VAL 63 -3.719 -2.448 -12.003 516 2HG2 VAL 63 HG22 VAL 63 -5.404 -2.308 -11.499 517 3HG2 VAL 63 HG23 VAL 63 -4.370 -3.547 -10.787 518 H ALA 64 HN ALA 64 -2.789 1.014 -9.303 519 HA ALA 64 HA ALA 64 -3.527 1.385 -6.577 520 1HB ALA 64 HB1 ALA 64 -1.255 1.615 -7.510 521 2HB ALA 64 HB2 ALA 64 -1.723 3.094 -6.669 522 3HB ALA 64 HB3 ALA 64 -1.770 3.027 -8.431 523 H THR 65 HN THR 65 -3.606 3.789 -9.244 524 HA THR 65 HA THR 65 -4.819 5.940 -8.010 525 HB THR 65 HB THR 65 -6.071 5.274 -10.567 526 HG1 THR 65 HG1 THR 65 -4.061 5.171 -11.674 527 1HG2 THR 65 HG21 THR 65 -3.903 7.298 -10.074 528 2HG2 THR 65 HG22 THR 65 -5.528 7.550 -9.437 529 3HG2 THR 65 HG23 THR 65 -5.276 7.398 -11.176 530 H ARG 66 HN ARG 66 -6.289 2.842 -8.762 531 HA ARG 66 HA ARG 66 -8.995 3.838 -8.043 532 1HB ARG 66 HB2 ARG 66 -8.222 2.239 -10.005 533 2HB ARG 66 HB1 ARG 66 -8.315 1.004 -8.749 534 1HG ARG 66 HG2 ARG 66 -10.509 0.905 -9.373 535 2HG ARG 66 HG1 ARG 66 -10.661 2.315 -8.322 536 1HD ARG 66 HD2 ARG 66 -9.905 3.588 -10.561 537 2HD ARG 66 HD1 ARG 66 -10.674 2.171 -11.305 538 HE ARG 66 HE ARG 66 -12.517 2.838 -9.420 539 1HH1 ARG 66 HH11 ARG 66 -12.047 3.796 -12.484 540 2HH1 ARG 66 HH12 ARG 66 -12.696 5.394 -12.331 541 1HH2 ARG 66 HH21 ARG 66 -12.804 5.298 -8.864 542 2HH2 ARG 66 HH22 ARG 66 -13.124 6.246 -10.277 543 H VAL 67 HN VAL 67 -6.933 1.065 -7.165 544 HA VAL 67 HA VAL 67 -8.363 0.788 -4.581 545 HB VAL 67 HB VAL 67 -7.965 -1.133 -6.104 546 1HG1 VAL 67 HG11 VAL 67 -5.989 -1.111 -7.205 547 2HG1 VAL 67 HG12 VAL 67 -5.272 -1.724 -5.715 548 3HG1 VAL 67 HG13 VAL 67 -5.275 0.009 -6.045 549 1HG2 VAL 67 HG21 VAL 67 -8.053 -1.414 -3.597 550 2HG2 VAL 67 HG22 VAL 67 -6.291 -1.351 -3.584 551 3HG2 VAL 67 HG23 VAL 67 -7.120 -2.661 -4.424 552 H SER 68 HN SER 68 -7.020 3.060 -4.206 553 HA SER 68 HA SER 68 -4.644 2.212 -2.602 554 1HB SER 68 HB2 SER 68 -4.799 4.447 -4.636 555 2HB SER 68 HB1 SER 68 -3.467 4.241 -3.504 556 HG SER 68 HG SER 68 -4.188 1.983 -4.924 557 H ASP 69 HN ASP 69 -3.925 4.118 -1.154 558 HA ASP 69 HA ASP 69 -6.044 4.903 0.562 559 1HB ASP 69 HB2 ASP 69 -3.894 4.810 1.473 560 2HB ASP 69 HB1 ASP 69 -3.178 5.687 0.124 561 H CYS 70 HN CYS 70 -7.583 5.783 -1.034 562 HA CYS 70 HA CYS 70 -8.439 7.513 -2.449 563 1HB CYS 70 HB2 CYS 70 -9.326 7.794 -0.232 564 2HB CYS 70 HB1 CYS 70 -7.854 8.600 0.312 565 HG CYS 70 HG CYS 70 -8.570 10.730 -0.810 566 H SER 71 HN SER 71 -6.693 9.909 -0.601 567 HA SER 71 HA SER 71 -5.803 11.460 -2.748 568 1HB SER 71 HB2 SER 71 -5.675 11.992 -0.309 569 2HB SER 71 HB1 SER 71 -4.360 10.840 -0.146 570 HG SER 71 HG SER 71 -4.409 13.371 -1.289 571 H SER 72 HN SER 72 -4.015 8.891 -1.074 572 HA SER 72 HA SER 72 -1.701 8.809 -2.682 573 1HB SER 72 HB2 SER 72 -1.325 6.963 -1.396 574 2HB SER 72 HB1 SER 72 -2.859 7.352 -0.621 575 HG SER 72 HG SER 72 -2.409 5.634 -2.838 576 H ALA 73 HN ALA 73 -4.985 7.616 -3.338 577 HA ALA 73 HA ALA 73 -4.459 5.983 -5.602 578 1HB ALA 73 HB1 ALA 73 -6.663 6.851 -4.294 579 2HB ALA 73 HB2 ALA 73 -6.742 6.166 -5.912 580 3HB ALA 73 HB3 ALA 73 -6.733 7.915 -5.699 581 H LYS 74 HN LYS 74 -5.117 9.504 -5.468 582 HA LYS 74 HA LYS 74 -4.621 10.163 -8.172 583 1HB LYS 74 HB2 LYS 74 -5.448 11.619 -6.261 584 2HB LYS 74 HB1 LYS 74 -3.786 11.707 -5.682 585 1HG LYS 74 HG2 LYS 74 -3.559 12.347 -8.378 586 2HG LYS 74 HG1 LYS 74 -5.061 13.136 -7.897 587 1HD LYS 74 HD2 LYS 74 -3.124 13.528 -5.821 588 2HD LYS 74 HD1 LYS 74 -2.394 13.981 -7.360 589 1HE LYS 74 HE2 LYS 74 -5.171 14.930 -7.050 590 2HE LYS 74 HE1 LYS 74 -4.026 15.635 -5.891 591 1HZ LYS 74 HZ1 LYS 74 -2.725 16.497 -7.542 592 2HZ LYS 74 HZ2 LYS 74 -4.241 16.608 -8.301 593 3HZ LYS 74 HZ3 LYS 74 -3.186 15.332 -8.684 594 H ARG 75 HN ARG 75 -2.523 9.149 -5.617 595 HA ARG 75 HA ARG 75 -0.074 9.537 -7.308 596 1HB ARG 75 HB2 ARG 75 -0.742 10.376 -4.714 597 2HB ARG 75 HB1 ARG 75 0.277 8.960 -4.458 598 1HG ARG 75 HG2 ARG 75 1.965 9.950 -5.997 599 2HG ARG 75 HG1 ARG 75 0.968 11.398 -6.110 600 1HD ARG 75 HD2 ARG 75 1.589 10.474 -3.352 601 2HD ARG 75 HD1 ARG 75 2.944 11.149 -4.277 602 HE ARG 75 HE ARG 75 0.677 12.825 -4.681 603 1HH1 ARG 75 HH21 ARG 75 2.399 11.658 -1.956 604 2HH1 ARG 75 HH22 ARG 75 2.502 13.204 -1.180 605 1HH2 ARG 75 HH11 ARG 75 1.009 14.916 -3.799 606 2HH2 ARG 75 HH12 ARG 75 1.716 15.047 -2.223 607 H GLY 76 HN GLY 76 -2.081 7.318 -7.343 608 1HA GLY 76 HA2 GLY 76 -1.341 5.031 -5.897 609 2HA GLY 76 HA1 GLY 76 -2.095 4.984 -7.493 610 H GLY 77 HN GLY 77 0.313 6.649 -8.417 611 1HA GLY 77 HA2 GLY 77 1.797 4.533 -9.579 612 2HA GLY 77 HA1 GLY 77 2.396 6.186 -9.409 613 H ASP 78 HN ASP 78 3.836 6.650 -7.767 614 HA ASP 78 HA ASP 78 4.272 4.736 -5.578 615 1HB ASP 78 HB2 ASP 78 6.632 4.310 -6.338 616 2HB ASP 78 HB1 ASP 78 5.416 3.662 -7.439 617 H LEU 79 HN LEU 79 6.112 5.490 -4.170 618 HA LEU 79 HA LEU 79 5.984 8.384 -3.762 619 1HB LEU 79 HB2 LEU 79 8.050 6.709 -2.396 620 2HB LEU 79 HB1 LEU 79 6.945 7.892 -1.709 621 HG LEU 79 HG LEU 79 5.173 5.974 -2.474 622 1HD1 LEU 79 HD11 LEU 79 6.786 4.001 -1.275 623 2HD1 LEU 79 HD12 LEU 79 7.801 4.746 -2.509 624 3HD1 LEU 79 HD13 LEU 79 6.243 4.047 -2.951 625 1HD2 LEU 79 HD21 LEU 79 6.736 5.839 0.123 626 2HD2 LEU 79 HD22 LEU 79 5.052 5.385 -0.137 627 3HD2 LEU 79 HD23 LEU 79 5.528 7.081 -0.209 628 H GLY 80 HN GLY 80 8.275 6.037 -5.006 629 1HA GLY 80 HA2 GLY 80 9.949 6.468 -6.654 630 2HA GLY 80 HA1 GLY 80 9.840 8.186 -6.283 631 H SER 81 HN SER 81 10.519 8.760 -4.003 632 HA SER 81 HA SER 81 12.484 6.950 -2.773 633 1HB SER 81 HB2 SER 81 14.374 8.017 -3.492 634 2HB SER 81 HB1 SER 81 13.335 8.366 -4.870 635 HG SER 81 HG SER 81 14.376 10.243 -4.003 636 H PHE 82 HN PHE 82 12.807 7.449 -0.639 637 HA PHE 82 HA PHE 82 12.401 10.094 0.499 638 1HB PHE 82 HB2 PHE 82 10.327 9.377 1.765 639 2HB PHE 82 HB1 PHE 82 10.084 9.511 0.025 640 HD1 PHE 82 HD1 PHE 82 10.180 7.423 -1.405 641 HD2 PHE 82 HD2 PHE 82 10.075 7.293 2.885 642 HE1 PHE 82 HE1 PHE 82 9.502 5.046 -1.500 643 HE2 PHE 82 HE2 PHE 82 9.390 4.914 2.792 644 HZ PHE 82 HZ PHE 82 9.109 3.789 0.596 645 H GLY 83 HN GLY 83 11.448 8.759 3.076 646 1HA GLY 83 HA2 GLY 83 12.792 6.635 4.044 647 2HA GLY 83 HA1 GLY 83 14.113 7.786 3.888 648 H ARG 84 HN ARG 84 13.183 10.113 4.779 649 HA ARG 84 HA ARG 84 12.017 9.508 7.479 650 1HB ARG 84 HB2 ARG 84 13.945 11.763 7.067 651 2HB ARG 84 HB1 ARG 84 13.709 10.745 8.483 652 1HG ARG 84 HG2 ARG 84 15.097 9.964 5.902 653 2HG ARG 84 HG1 ARG 84 15.855 10.195 7.476 654 1HD ARG 84 HD2 ARG 84 13.668 8.290 7.680 655 2HD ARG 84 HD1 ARG 84 14.846 7.776 6.461 656 HE ARG 84 HE ARG 84 15.687 8.606 9.212 657 1HH1 ARG 84 HH11 ARG 84 15.156 5.701 8.876 658 2HH1 ARG 84 HH12 ARG 84 16.707 5.085 8.411 659 1HH2 ARG 84 HH21 ARG 84 17.980 8.194 7.556 660 2HH2 ARG 84 HH22 ARG 84 18.305 6.496 7.667 661 H GLY 85 HN GLY 85 10.549 11.056 8.288 662 1HA GLY 85 HA2 GLY 85 9.047 12.861 8.230 663 2HA GLY 85 HA1 GLY 85 10.146 13.648 7.095 664 H GLN 86 HN GLN 86 9.303 10.549 6.039 665 HA GLN 86 HA GLN 86 7.244 11.711 4.185 666 1HB GLN 86 HB2 GLN 86 8.963 9.276 3.694 667 2HB GLN 86 HB1 GLN 86 8.167 10.303 2.505 668 1HG GLN 86 HG2 GLN 86 9.903 11.955 4.041 669 2HG GLN 86 HG1 GLN 86 10.814 10.525 3.559 670 1HE2 GLN 86 HE21 GLN 86 11.787 12.635 2.292 671 2HE2 GLN 86 HE22 GLN 86 11.197 12.803 0.709 672 H MET 87 HN MET 87 8.292 8.526 5.414 673 HA MET 87 HA MET 87 5.411 7.730 5.614 674 1HB MET 87 HB2 MET 87 7.939 6.513 4.702 675 2HB MET 87 HB1 MET 87 6.929 5.442 5.679 676 1HG MET 87 HG2 MET 87 6.479 5.417 3.157 677 2HG MET 87 HG1 MET 87 5.074 5.670 4.191 678 1HE MET 87 HE1 MET 87 7.366 8.806 1.742 679 2HE MET 87 HE2 MET 87 7.466 7.060 1.532 680 3HE MET 87 HE3 MET 87 8.075 7.798 3.011 681 H GLN 88 HN GLN 88 4.650 7.155 7.628 682 HA GLN 88 HA GLN 88 6.008 7.799 10.019 683 1HB GLN 88 HB2 GLN 88 3.706 5.963 9.327 684 2HB GLN 88 HB1 GLN 88 4.170 6.292 10.996 685 1HG GLN 88 HG2 GLN 88 3.282 8.309 8.921 686 2HG GLN 88 HG1 GLN 88 2.432 7.860 10.398 687 1HE2 GLN 88 HE21 GLN 88 4.944 9.893 9.089 688 2HE2 GLN 88 HE22 GLN 88 5.402 10.617 10.554 689 H LYS 89 HN LYS 89 5.704 5.524 11.669 690 HA LYS 89 HA LYS 89 8.227 4.178 11.236 691 1HB LYS 89 HB2 LYS 89 5.985 3.532 13.163 692 2HB LYS 89 HB1 LYS 89 7.700 3.170 13.363 693 1HG LYS 89 HG2 LYS 89 7.665 5.910 12.888 694 2HG LYS 89 HG1 LYS 89 6.255 5.649 13.916 695 1HD LYS 89 HD2 LYS 89 7.562 5.327 15.718 696 2HD LYS 89 HD1 LYS 89 8.480 4.077 14.877 697 1HE LYS 89 HE2 LYS 89 10.135 5.550 14.208 698 2HE LYS 89 HE1 LYS 89 9.020 6.930 14.140 699 1HZ LYS 89 HZ1 LYS 89 10.597 6.856 16.109 700 2HZ LYS 89 HZ2 LYS 89 9.666 5.554 16.680 701 3HZ LYS 89 HZ3 LYS 89 8.954 7.081 16.464 702 HA PRO 90 HA PRO 90 5.341 0.413 10.413 703 1HB PRO 90 HB2 PRO 90 3.033 0.935 9.039 704 2HB PRO 90 HB1 PRO 90 3.122 0.862 10.810 705 1HG PRO 90 HG2 PRO 90 3.049 3.226 9.015 706 2HG PRO 90 HG1 PRO 90 2.308 2.990 10.604 707 1HD PRO 90 HD2 PRO 90 4.590 4.413 10.173 708 2HD PRO 90 HD1 PRO 90 4.195 3.634 11.717 709 H PHE 91 HN PHE 91 4.510 2.795 7.828 710 HA PHE 91 HA PHE 91 5.119 1.090 5.656 711 1HB PHE 91 HB2 PHE 91 3.965 3.278 5.488 712 2HB PHE 91 HB1 PHE 91 5.473 4.100 5.897 713 HD1 PHE 91 HD1 PHE 91 7.581 3.259 4.372 714 HD2 PHE 91 HD2 PHE 91 3.445 3.121 3.220 715 HE1 PHE 91 HE1 PHE 91 8.254 3.105 2.047 716 HE2 PHE 91 HE2 PHE 91 4.142 2.994 0.835 717 HZ PHE 91 HZ PHE 91 6.546 2.988 0.249 718 H GLU 92 HN GLU 92 7.206 3.722 6.828 719 HA GLU 92 HA GLU 92 9.513 3.297 5.447 720 1HB GLU 92 HB2 GLU 92 9.325 5.026 7.105 721 2HB GLU 92 HB1 GLU 92 9.059 3.852 8.393 722 1HG GLU 92 HG2 GLU 92 11.322 3.097 8.307 723 2HG GLU 92 HG1 GLU 92 11.614 3.944 6.788 724 H GLU 93 HN GLU 93 9.284 1.793 8.685 725 HA GLU 93 HA GLU 93 11.348 -0.044 8.419 726 1HB GLU 93 HB2 GLU 93 10.361 -1.112 10.266 727 2HB GLU 93 HB1 GLU 93 9.680 0.510 10.349 728 1HG GLU 93 HG2 GLU 93 7.664 -0.514 10.400 729 2HG GLU 93 HG1 GLU 93 7.910 -0.810 8.680 730 H ALA 94 HN ALA 94 8.241 -0.107 6.811 731 HA ALA 94 HA ALA 94 8.242 -2.905 6.071 732 1HB ALA 94 HB1 ALA 94 7.003 -0.768 4.378 733 2HB ALA 94 HB2 ALA 94 6.435 -0.924 6.040 734 3HB ALA 94 HB3 ALA 94 6.306 -2.290 4.932 735 H THR 95 HN THR 95 8.921 0.029 4.151 736 HA THR 95 HA THR 95 10.027 -1.417 1.916 737 HB THR 95 HB THR 95 10.678 1.432 2.663 738 HG1 THR 95 HG1 THR 95 8.200 0.365 1.797 739 1HG2 THR 95 HG21 THR 95 11.565 0.591 0.553 740 2HG2 THR 95 HG22 THR 95 10.264 1.733 0.215 741 3HG2 THR 95 HG23 THR 95 9.971 -0.001 0.085 742 H TYR 96 HN TYR 96 11.342 -0.118 4.897 743 HA TYR 96 HA TYR 96 14.145 -0.360 4.112 744 1HB TYR 96 HB2 TYR 96 12.520 0.198 6.573 745 2HB TYR 96 HB1 TYR 96 14.224 -0.207 6.765 746 HD1 TYR 96 HD1 TYR 96 11.826 2.262 5.484 747 HD2 TYR 96 HD2 TYR 96 15.980 1.251 5.844 748 HE1 TYR 96 HE1 TYR 96 12.444 4.584 4.869 749 HE2 TYR 96 HE2 TYR 96 16.596 3.576 5.236 750 HH TYR 96 HH TYR 96 15.846 5.531 4.468 751 H ALA 97 HN ALA 97 11.705 -2.390 5.605 752 HA ALA 97 HA ALA 97 13.612 -4.436 6.507 753 1HB ALA 97 HB1 ALA 97 11.634 -4.035 7.807 754 2HB ALA 97 HB2 ALA 97 11.384 -5.592 7.016 755 3HB ALA 97 HB3 ALA 97 10.600 -4.145 6.383 756 H LEU 98 HN LEU 98 11.364 -3.957 3.796 757 HA LEU 98 HA LEU 98 11.977 -6.661 2.727 758 1HB LEU 98 HB2 LEU 98 9.683 -5.408 2.895 759 2HB LEU 98 HB1 LEU 98 10.236 -4.563 1.452 760 HG LEU 98 HG LEU 98 10.619 -7.474 1.330 761 1HD1 LEU 98 HD11 LEU 98 8.506 -7.427 2.586 762 2HD1 LEU 98 HD12 LEU 98 8.213 -7.932 0.925 763 3HD1 LEU 98 HD13 LEU 98 7.828 -6.288 1.424 764 1HD2 LEU 98 HD21 LEU 98 9.132 -6.744 -0.821 765 2HD2 LEU 98 HD22 LEU 98 10.881 -6.537 -0.746 766 3HD2 LEU 98 HD23 LEU 98 9.816 -5.181 -0.379 767 H LYS 99 HN LYS 99 14.219 -6.295 2.063 768 HA LYS 99 HA LYS 99 15.018 -4.104 0.367 769 1HB LYS 99 HB2 LYS 99 16.971 -5.665 -0.059 770 2HB LYS 99 HB1 LYS 99 16.624 -5.384 1.647 771 1HG LYS 99 HG2 LYS 99 15.813 -7.520 1.977 772 2HG LYS 99 HG1 LYS 99 15.262 -7.682 0.309 773 1HD LYS 99 HD2 LYS 99 17.130 -8.892 -0.071 774 2HD LYS 99 HD1 LYS 99 18.027 -7.381 0.083 775 1HE LYS 99 HE2 LYS 99 17.305 -8.620 2.668 776 2HE LYS 99 HE1 LYS 99 18.448 -9.561 1.689 777 1HZ LYS 99 HZ1 LYS 99 19.604 -7.893 3.022 778 2HZ LYS 99 HZ2 LYS 99 18.681 -6.661 2.304 779 3HZ LYS 99 HZ3 LYS 99 19.770 -7.567 1.366 780 H VAL 100 HN VAL 100 12.922 -4.399 -0.977 781 HA VAL 100 HA VAL 100 11.753 -5.271 -2.843 782 HB VAL 100 HB VAL 100 13.664 -3.627 -3.471 783 1HG1 VAL 100 HG11 VAL 100 14.826 -5.527 -5.303 784 2HG1 VAL 100 HG12 VAL 100 15.085 -6.064 -3.645 785 3HG1 VAL 100 HG13 VAL 100 15.636 -4.468 -4.149 786 1HG2 VAL 100 HG21 VAL 100 11.675 -4.106 -4.846 787 2HG2 VAL 100 HG22 VAL 100 12.484 -5.522 -5.519 788 3HG2 VAL 100 HG23 VAL 100 13.112 -3.911 -5.843 789 H GLY 101 HN GLY 101 12.402 -7.465 -1.286 790 1HA GLY 101 HA2 GLY 101 13.427 -9.467 -3.253 791 2HA GLY 101 HA1 GLY 101 13.386 -9.714 -1.503 792 H ASP 102 HN ASP 102 10.647 -8.222 -1.735 793 HA ASP 102 HA ASP 102 8.998 -10.469 -2.800 794 1HB ASP 102 HB2 ASP 102 8.993 -9.227 -0.037 795 2HB ASP 102 HB1 ASP 102 7.685 -10.256 -0.625 796 H ILE 103 HN ILE 103 6.702 -8.920 -1.335 797 HA ILE 103 HA ILE 103 6.633 -6.525 -3.124 798 HB ILE 103 HB ILE 103 4.377 -8.507 -2.701 799 1HG1 ILE 103 HG12 ILE 103 6.441 -8.236 -4.898 800 2HG1 ILE 103 HG11 ILE 103 6.025 -9.676 -3.969 801 1HG2 ILE 103 HG21 ILE 103 3.085 -7.093 -3.914 802 2HG2 ILE 103 HG22 ILE 103 4.384 -6.751 -5.057 803 3HG2 ILE 103 HG23 ILE 103 4.300 -5.873 -3.529 804 1HD1 ILE 103 HD11 ILE 103 3.596 -9.045 -5.053 805 2HD1 ILE 103 HD12 ILE 103 4.732 -10.180 -5.782 806 3HD1 ILE 103 HD13 ILE 103 4.683 -8.506 -6.333 807 H SER 104 HN SER 104 6.905 -7.120 -0.106 808 HA SER 104 HA SER 104 5.996 -6.293 1.929 809 1HB SER 104 HB2 SER 104 6.729 -4.349 0.201 810 2HB SER 104 HB1 SER 104 5.030 -3.932 0.396 811 HG SER 104 HG SER 104 5.401 -3.373 2.403 812 H ASP 105 HN ASP 105 4.181 -8.085 0.956 813 HA ASP 105 HA ASP 105 1.576 -7.019 0.339 814 1HB ASP 105 HB2 ASP 105 2.461 -9.654 1.560 815 2HB ASP 105 HB1 ASP 105 0.888 -9.351 0.820 816 H ILE 106 HN ILE 106 -0.337 -7.322 1.825 817 HA ILE 106 HA ILE 106 -1.389 -6.479 3.780 818 HB ILE 106 HB ILE 106 -0.093 -7.977 5.741 819 1HG1 ILE 106 HG12 ILE 106 0.206 -9.309 3.031 820 2HG1 ILE 106 HG11 ILE 106 1.461 -9.029 4.238 821 1HG2 ILE 106 HG21 ILE 106 -2.557 -7.842 4.512 822 2HG2 ILE 106 HG22 ILE 106 -2.129 -8.955 5.812 823 3HG2 ILE 106 HG23 ILE 106 -2.031 -9.482 4.132 824 1HD1 ILE 106 HD11 ILE 106 0.623 -11.395 4.204 825 2HD1 ILE 106 HD12 ILE 106 -0.963 -10.794 4.686 826 3HD1 ILE 106 HD13 ILE 106 0.418 -10.602 5.766 827 H VAL 107 HN VAL 107 -0.586 -4.316 3.850 828 HA VAL 107 HA VAL 107 1.634 -3.885 5.825 829 HB VAL 107 HB VAL 107 0.877 -2.157 3.450 830 1HG1 VAL 107 HG11 VAL 107 3.461 -1.631 3.942 831 2HG1 VAL 107 HG12 VAL 107 2.977 -2.115 5.567 832 3HG1 VAL 107 HG13 VAL 107 2.160 -0.772 4.766 833 1HG2 VAL 107 HG21 VAL 107 3.368 -3.417 3.020 834 2HG2 VAL 107 HG22 VAL 107 1.867 -3.702 2.138 835 3HG2 VAL 107 HG23 VAL 107 2.269 -4.694 3.541 836 H ASP 108 HN ASP 108 -0.880 -4.070 6.877 837 HA ASP 108 HA ASP 108 -2.688 -1.969 6.872 838 1HB ASP 108 HB2 ASP 108 -2.841 -2.547 9.398 839 2HB ASP 108 HB1 ASP 108 -3.114 -3.847 8.237 840 H THR 109 HN THR 109 -1.870 0.123 6.608 841 HA THR 109 HA THR 109 -0.017 1.136 8.737 842 HB THR 109 HB THR 109 -0.406 2.834 6.401 843 HG1 THR 109 HG1 THR 109 0.459 1.407 4.903 844 1HG2 THR 109 HG21 THR 109 2.099 1.342 7.135 845 2HG2 THR 109 HG22 THR 109 1.504 2.646 8.162 846 3HG2 THR 109 HG23 THR 109 1.930 2.972 6.482 847 H ASP 110 HN ASP 110 -0.502 3.864 8.372 848 HA ASP 110 HA ASP 110 -2.699 4.433 10.020 849 1HB ASP 110 HB2 ASP 110 -1.191 5.960 7.897 850 2HB ASP 110 HB1 ASP 110 -2.487 6.730 8.812 851 H SER 111 HN SER 111 -2.585 4.580 6.440 852 HA SER 111 HA SER 111 -5.390 5.187 6.126 853 1HB SER 111 HB2 SER 111 -3.185 4.109 4.361 854 2HB SER 111 HB1 SER 111 -4.813 4.382 3.746 855 HG SER 111 HG SER 111 -2.907 6.142 3.981 856 H GLY 112 HN GLY 112 -3.509 2.186 6.160 857 1HA GLY 112 HA2 GLY 112 -5.116 0.360 7.221 858 2HA GLY 112 HA1 GLY 112 -5.978 0.614 5.704 859 H VAL 113 HN VAL 113 -5.347 -1.823 5.631 860 HA VAL 113 HA VAL 113 -2.757 -2.801 5.252 861 HB VAL 113 HB VAL 113 -3.970 -4.381 3.631 862 1HG1 VAL 113 HG11 VAL 113 -4.073 -4.067 6.431 863 2HG1 VAL 113 HG12 VAL 113 -4.413 -5.536 5.516 864 3HG1 VAL 113 HG13 VAL 113 -5.725 -4.435 5.933 865 1HG2 VAL 113 HG21 VAL 113 -6.278 -4.105 3.268 866 2HG2 VAL 113 HG22 VAL 113 -5.660 -2.460 3.109 867 3HG2 VAL 113 HG23 VAL 113 -6.446 -2.967 4.605 868 H HIS 114 HN HIS 114 -1.184 -2.169 3.888 869 HA HIS 114 HA HIS 114 -1.942 -0.838 1.310 870 1HB HIS 114 HB2 HIS 114 -0.043 -0.295 3.496 871 2HB HIS 114 HB1 HIS 114 0.668 -0.148 1.891 872 HD1 HIS 114 HD1 HIS 114 -0.445 1.612 0.253 873 HD2 HIS 114 HD2 HIS 114 -1.860 1.742 4.173 874 HE1 HIS 114 HE1 HIS 114 -1.704 3.799 0.490 875 H ILE 115 HN ILE 115 0.323 -0.903 -0.060 876 HA ILE 115 HA ILE 115 1.667 -3.511 0.000 877 HB ILE 115 HB ILE 115 0.247 -4.541 -1.445 878 1HG1 ILE 115 HG12 ILE 115 0.669 -2.227 -3.357 879 2HG1 ILE 115 HG11 ILE 115 1.778 -3.580 -3.179 880 1HG2 ILE 115 HG21 ILE 115 -1.735 -3.233 -2.421 881 2HG2 ILE 115 HG22 ILE 115 -1.142 -1.862 -1.483 882 3HG2 ILE 115 HG23 ILE 115 -1.639 -3.342 -0.663 883 1HD1 ILE 115 HD11 ILE 115 -1.142 -4.048 -3.752 884 2HD1 ILE 115 HD12 ILE 115 0.222 -5.131 -4.030 885 3HD1 ILE 115 HD13 ILE 115 -0.004 -3.717 -5.058 886 H ILE 116 HN ILE 116 3.739 -2.782 -0.291 887 HA ILE 116 HA ILE 116 4.171 -0.458 -2.126 888 HB ILE 116 HB ILE 116 5.852 -1.604 0.121 889 1HG1 ILE 116 HG12 ILE 116 4.696 0.992 0.601 890 2HG1 ILE 116 HG11 ILE 116 3.423 -0.154 0.194 891 1HG2 ILE 116 HG21 ILE 116 7.226 0.302 -0.103 892 2HG2 ILE 116 HG22 ILE 116 6.027 1.165 -1.066 893 3HG2 ILE 116 HG23 ILE 116 6.925 -0.178 -1.773 894 1HD1 ILE 116 HD11 ILE 116 3.634 -0.458 2.503 895 2HD1 ILE 116 HD12 ILE 116 5.384 -0.243 2.471 896 3HD1 ILE 116 HD13 ILE 116 4.667 -1.736 1.864 897 H LYS 117 HN LYS 117 6.046 -0.468 -3.488 898 HA LYS 117 HA LYS 117 7.135 -3.190 -4.135 899 1HB LYS 117 HB2 LYS 117 5.396 -1.888 -5.672 900 2HB LYS 117 HB1 LYS 117 6.838 -1.004 -6.173 901 1HG LYS 117 HG2 LYS 117 7.692 -2.784 -7.298 902 2HG LYS 117 HG1 LYS 117 7.179 -3.932 -6.061 903 1HD LYS 117 HD2 LYS 117 4.824 -2.889 -7.269 904 2HD LYS 117 HD1 LYS 117 5.923 -3.344 -8.571 905 1HE LYS 117 HE2 LYS 117 5.955 -5.366 -6.490 906 2HE LYS 117 HE1 LYS 117 4.302 -5.094 -7.078 907 1HZ LYS 117 HZ1 LYS 117 6.713 -5.815 -8.625 908 2HZ LYS 117 HZ2 LYS 117 5.401 -5.040 -9.376 909 3HZ LYS 117 HZ3 LYS 117 5.187 -6.555 -8.637 910 H ARG 118 HN ARG 118 9.181 -2.561 -5.797 911 HA ARG 118 HA ARG 118 10.666 -0.195 -4.955 912 1HB ARG 118 HB2 ARG 118 10.630 -2.441 -3.266 913 2HB ARG 118 HB1 ARG 118 12.197 -2.500 -4.067 914 1HG ARG 118 HG2 ARG 118 12.287 0.058 -3.508 915 2HG ARG 118 HG1 ARG 118 11.061 -0.349 -2.307 916 1HD ARG 118 HD2 ARG 118 12.624 -1.254 -0.939 917 2HD ARG 118 HD1 ARG 118 13.246 -2.273 -2.252 918 HE ARG 118 HE ARG 118 14.163 0.232 -2.935 919 1HH1 ARG 118 HH11 ARG 118 16.000 -1.945 -1.955 920 2HH1 ARG 118 HH12 ARG 118 16.742 -1.193 -0.583 921 1HH2 ARG 118 HH21 ARG 118 14.373 1.328 -0.349 922 2HH2 ARG 118 HH22 ARG 118 15.823 0.661 0.324 923 H THR 119 HN THR 119 13.259 -1.647 -5.265 924 HA THR 119 HA THR 119 13.776 -1.278 -8.003 925 HB THR 119 HB THR 119 15.305 -3.357 -6.547 926 HG1 THR 119 HG1 THR 119 16.115 -1.454 -5.251 927 1HG2 THR 119 HG21 THR 119 15.927 -0.739 -7.933 928 2HG2 THR 119 HG22 THR 119 16.266 -2.368 -8.517 929 3HG2 THR 119 HG23 THR 119 17.150 -1.726 -7.133 930 H ALA 120 HN ALA 120 15.148 -3.995 -8.296 931 HA ALA 120 HA ALA 120 14.686 -6.081 -9.305 932 1HB ALA 120 HB1 ALA 120 11.941 -6.418 -8.737 933 2HB ALA 120 HB2 ALA 120 12.600 -5.508 -7.378 934 3HB ALA 120 HB3 ALA 120 13.298 -7.066 -7.819 Start of MODEL 15 1 1H HIS 1 HT1 HIS 1 26.764 5.245 6.114 2 2H HIS 1 HT2 HIS 1 25.463 5.402 7.195 3 3H HIS 1 HT3 HIS 1 26.890 6.290 7.445 4 HA HIS 1 HA HIS 1 25.179 6.623 5.040 5 1HB HIS 1 HB2 HIS 1 24.739 8.829 6.577 6 2HB HIS 1 HB1 HIS 1 23.693 7.414 6.593 7 HD1 HIS 1 HD1 HIS 1 23.962 5.750 8.611 8 HD2 HIS 1 HD2 HIS 1 26.251 9.219 8.936 9 HE1 HIS 1 HE1 HIS 1 24.747 5.868 11.017 10 H MET 2 HN MET 2 27.064 8.681 7.283 11 HA MET 2 HA MET 2 28.852 10.164 6.840 12 1HB MET 2 HB2 MET 2 29.243 7.723 5.415 13 2HB MET 2 HB1 MET 2 29.746 9.038 4.353 14 1HG MET 2 HG2 MET 2 31.558 9.513 5.624 15 2HG MET 2 HG1 MET 2 30.635 9.403 7.123 16 1HE MET 2 HE1 MET 2 30.813 8.110 8.626 17 2HE MET 2 HE2 MET 2 31.771 6.642 8.808 18 3HE MET 2 HE3 MET 2 30.105 6.534 8.245 19 H ALA 3 HN ALA 3 28.099 9.315 3.465 20 HA ALA 3 HA ALA 3 26.679 11.873 3.034 21 1HB ALA 3 HB1 ALA 3 29.504 11.262 2.238 22 2HB ALA 3 HB2 ALA 3 28.804 12.784 2.789 23 3HB ALA 3 HB3 ALA 3 28.521 12.230 1.139 24 H SER 4 HN SER 4 25.490 9.465 2.670 25 HA SER 4 HA SER 4 25.136 9.346 -0.259 26 1HB SER 4 HB2 SER 4 26.965 7.676 1.044 27 2HB SER 4 HB1 SER 4 25.537 6.668 0.825 28 HG SER 4 HG SER 4 25.653 6.969 -1.337 29 H ARG 5 HN ARG 5 24.297 8.038 2.943 30 HA ARG 5 HA ARG 5 22.242 7.189 3.759 31 1HB ARG 5 HB2 ARG 5 21.538 9.398 1.817 32 2HB ARG 5 HB1 ARG 5 20.308 8.600 2.797 33 1HG ARG 5 HG2 ARG 5 22.414 9.202 4.571 34 2HG ARG 5 HG1 ARG 5 22.200 10.644 3.577 35 1HD ARG 5 HD2 ARG 5 19.615 9.557 4.330 36 2HD ARG 5 HD1 ARG 5 20.605 9.883 5.768 37 HE ARG 5 HE ARG 5 20.710 12.196 5.139 38 1HH1 ARG 5 HH11 ARG 5 20.978 11.593 2.145 39 2HH1 ARG 5 HH12 ARG 5 19.519 12.302 1.539 40 1HH2 ARG 5 HH21 ARG 5 18.016 12.516 4.656 41 2HH2 ARG 5 HH22 ARG 5 17.843 12.825 2.960 42 H ASP 6 HN ASP 6 19.820 6.653 2.612 43 HA ASP 6 HA ASP 6 20.377 5.042 0.155 44 1HB ASP 6 HB2 ASP 6 20.324 4.024 2.710 45 2HB ASP 6 HB1 ASP 6 18.654 3.790 2.193 46 H GLN 7 HN GLN 7 17.770 5.817 2.463 47 HA GLN 7 HA GLN 7 15.619 6.725 2.077 48 1HB GLN 7 HB2 GLN 7 17.251 7.920 0.269 49 2HB GLN 7 HB1 GLN 7 16.147 7.083 -0.824 50 1HG GLN 7 HG2 GLN 7 14.286 8.262 -0.075 51 2HG GLN 7 HG1 GLN 7 15.013 8.613 1.492 52 1HE2 GLN 7 HE21 GLN 7 15.040 10.895 1.501 53 2HE2 GLN 7 HE22 GLN 7 15.794 11.838 0.308 54 H VAL 8 HN VAL 8 14.371 4.894 2.308 55 HA VAL 8 HA VAL 8 14.279 2.658 0.516 56 HB VAL 8 HB VAL 8 13.546 2.421 2.782 57 1HG1 VAL 8 HG11 VAL 8 11.927 4.875 2.146 58 2HG1 VAL 8 HG12 VAL 8 12.994 4.577 3.519 59 3HG1 VAL 8 HG13 VAL 8 11.414 3.800 3.445 60 1HG2 VAL 8 HG21 VAL 8 11.919 1.690 0.665 61 2HG2 VAL 8 HG22 VAL 8 10.801 2.537 1.735 62 3HG2 VAL 8 HG23 VAL 8 11.716 1.152 2.332 63 H LYS 9 HN LYS 9 13.755 3.123 -1.663 64 HA LYS 9 HA LYS 9 11.531 4.956 -2.296 65 1HB LYS 9 HB2 LYS 9 13.360 3.162 -3.922 66 2HB LYS 9 HB1 LYS 9 12.097 4.167 -4.632 67 1HG LYS 9 HG2 LYS 9 13.412 5.918 -2.955 68 2HG LYS 9 HG1 LYS 9 14.724 4.950 -3.604 69 1HD LYS 9 HD2 LYS 9 12.889 6.855 -4.993 70 2HD LYS 9 HD1 LYS 9 14.603 6.564 -5.250 71 1HE LYS 9 HE2 LYS 9 13.446 4.154 -6.022 72 2HE LYS 9 HE1 LYS 9 12.298 5.373 -6.609 73 1HZ LYS 9 HZ1 LYS 9 13.761 5.702 -8.250 74 2HZ LYS 9 HZ2 LYS 9 15.001 4.859 -7.453 75 3HZ LYS 9 HZ3 LYS 9 14.720 6.497 -7.100 76 H ALA 10 HN ALA 10 9.611 4.101 -3.560 77 HA ALA 10 HA ALA 10 9.087 1.281 -3.791 78 1HB ALA 10 HB1 ALA 10 9.232 2.055 -1.189 79 2HB ALA 10 HB2 ALA 10 8.211 0.727 -1.742 80 3HB ALA 10 HB3 ALA 10 7.517 2.329 -1.498 81 H SER 11 HN SER 11 6.625 0.867 -3.827 82 HA SER 11 HA SER 11 5.119 3.247 -4.839 83 1HB SER 11 HB2 SER 11 4.648 2.124 -6.803 84 2HB SER 11 HB1 SER 11 6.139 1.269 -6.415 85 HG SER 11 HG SER 11 4.328 -0.121 -6.839 86 H HIS 12 HN HIS 12 2.559 2.329 -4.935 87 HA HIS 12 HA HIS 12 2.078 0.353 -2.820 88 1HB HIS 12 HB2 HIS 12 1.437 1.820 -1.083 89 2HB HIS 12 HB1 HIS 12 2.912 2.523 -1.743 90 HD1 HIS 12 HD1 HIS 12 0.535 4.123 -0.301 91 HD2 HIS 12 HD2 HIS 12 1.209 3.898 -4.408 92 HE1 HIS 12 HE1 HIS 12 -0.578 6.154 -1.319 93 H ILE 13 HN ILE 13 -0.185 0.114 -2.224 94 HA ILE 13 HA ILE 13 -2.231 1.327 -4.010 95 HB ILE 13 HB ILE 13 -1.349 -1.558 -3.870 96 1HG1 ILE 13 HG12 ILE 13 -1.901 0.492 -6.002 97 2HG1 ILE 13 HG11 ILE 13 -0.446 -0.466 -5.747 98 1HG2 ILE 13 HG21 ILE 13 -3.747 -1.584 -3.332 99 2HG2 ILE 13 HG22 ILE 13 -3.479 -2.206 -4.959 100 3HG2 ILE 13 HG23 ILE 13 -4.083 -0.565 -4.732 101 1HD1 ILE 13 HD11 ILE 13 -3.126 -1.514 -6.713 102 2HD1 ILE 13 HD12 ILE 13 -1.708 -2.513 -6.392 103 3HD1 ILE 13 HD13 ILE 13 -1.672 -1.322 -7.692 104 H LEU 14 HN LEU 14 -4.494 0.398 -3.180 105 HA LEU 14 HA LEU 14 -4.390 -0.369 -0.303 106 1HB LEU 14 HB2 LEU 14 -4.372 2.051 -0.288 107 2HB LEU 14 HB1 LEU 14 -5.681 2.111 -1.467 108 HG LEU 14 HG LEU 14 -6.791 0.557 0.498 109 1HD1 LEU 14 HD11 LEU 14 -5.351 2.761 1.974 110 2HD1 LEU 14 HD12 LEU 14 -4.674 1.137 1.852 111 3HD1 LEU 14 HD13 LEU 14 -6.231 1.385 2.643 112 1HD2 LEU 14 HD21 LEU 14 -7.138 3.134 -0.643 113 2HD2 LEU 14 HD22 LEU 14 -7.284 3.332 1.103 114 3HD2 LEU 14 HD23 LEU 14 -8.326 2.191 0.255 115 H ILE 15 HN ILE 15 -6.022 -1.808 0.164 116 HA ILE 15 HA ILE 15 -8.110 -2.259 -1.926 117 HB ILE 15 HB ILE 15 -6.973 -3.932 0.334 118 1HG1 ILE 15 HG12 ILE 15 -6.801 -4.113 -2.692 119 2HG1 ILE 15 HG11 ILE 15 -5.486 -3.694 -1.594 120 1HG2 ILE 15 HG21 ILE 15 -9.282 -4.387 -1.546 121 2HG2 ILE 15 HG22 ILE 15 -9.194 -4.687 0.189 122 3HG2 ILE 15 HG23 ILE 15 -8.347 -5.751 -0.933 123 1HD1 ILE 15 HD11 ILE 15 -4.992 -5.893 -1.509 124 2HD1 ILE 15 HD12 ILE 15 -6.484 -6.322 -2.345 125 3HD1 ILE 15 HD13 ILE 15 -6.484 -6.109 -0.595 126 H LYS 16 HN LYS 16 -7.672 -0.975 1.228 127 HA LYS 16 HA LYS 16 -9.257 -0.050 2.726 128 1HB LYS 16 HB2 LYS 16 -10.274 0.372 0.338 129 2HB LYS 16 HB1 LYS 16 -11.406 -0.900 0.799 130 1HG LYS 16 HG2 LYS 16 -10.860 1.437 2.627 131 2HG LYS 16 HG1 LYS 16 -12.065 1.543 1.344 132 1HD LYS 16 HD2 LYS 16 -12.707 -0.863 2.477 133 2HD LYS 16 HD1 LYS 16 -12.152 0.046 3.884 134 1HE LYS 16 HE2 LYS 16 -13.813 1.695 3.635 135 2HE LYS 16 HE1 LYS 16 -14.089 1.290 1.929 136 1HZ LYS 16 HZ1 LYS 16 -14.672 -0.466 4.256 137 2HZ LYS 16 HZ2 LYS 16 -14.875 -0.899 2.626 138 3HZ LYS 16 HZ3 LYS 16 -15.825 0.334 3.306 139 H HIS 17 HN HIS 17 -10.302 -0.941 4.509 140 HA HIS 17 HA HIS 17 -11.881 -3.375 4.388 141 1HB HIS 17 HB2 HIS 17 -10.277 -4.871 5.412 142 2HB HIS 17 HB1 HIS 17 -9.483 -4.129 4.024 143 HD1 HIS 17 HD1 HIS 17 -9.058 -4.676 7.583 144 HD2 HIS 17 HD2 HIS 17 -7.853 -1.754 4.868 145 HE1 HIS 17 HE1 HIS 17 -7.171 -3.402 8.693 146 H GLN 18 HN GLN 18 -10.871 -4.121 7.149 147 HA GLN 18 HA GLN 18 -12.704 -2.894 8.813 148 1HB GLN 18 HB2 GLN 18 -10.194 -4.339 9.036 149 2HB GLN 18 HB1 GLN 18 -10.370 -3.179 10.353 150 1HG GLN 18 HG2 GLN 18 -12.746 -4.846 9.638 151 2HG GLN 18 HG1 GLN 18 -11.426 -5.623 10.514 152 1HE2 GLN 18 HE21 GLN 18 -13.767 -2.925 10.704 153 2HE2 GLN 18 HE22 GLN 18 -13.674 -2.752 12.390 154 H GLY 19 HN GLY 19 -9.334 -1.920 9.284 155 1HA GLY 19 HA2 GLY 19 -8.473 0.177 9.929 156 2HA GLY 19 HA1 GLY 19 -9.361 0.749 8.515 157 H SER 20 HN SER 20 -9.610 2.732 9.921 158 HA SER 20 HA SER 20 -12.247 2.752 11.146 159 1HB SER 20 HB2 SER 20 -9.920 2.091 12.716 160 2HB SER 20 HB1 SER 20 -10.595 3.615 13.285 161 HG SER 20 HG SER 20 -11.589 1.066 13.439 162 H ARG 21 HN ARG 21 -11.890 4.419 9.258 163 HA ARG 21 HA ARG 21 -11.414 7.059 10.514 164 1HB ARG 21 HB2 ARG 21 -9.804 5.828 8.272 165 2HB ARG 21 HB1 ARG 21 -9.898 7.578 8.478 166 1HG ARG 21 HG2 ARG 21 -8.938 5.585 10.554 167 2HG ARG 21 HG1 ARG 21 -7.926 6.708 9.645 168 1HD ARG 21 HD2 ARG 21 -9.857 8.380 10.727 169 2HD ARG 21 HD1 ARG 21 -9.561 7.209 12.029 170 HE ARG 21 HE ARG 21 -7.365 8.723 10.663 171 1HH1 ARG 21 HH11 ARG 21 -9.004 8.637 13.531 172 2HH1 ARG 21 HH12 ARG 21 -7.628 8.346 14.541 173 1HH2 ARG 21 HH21 ARG 21 -5.483 7.717 11.891 174 2HH2 ARG 21 HH22 ARG 21 -5.635 7.826 13.613 175 H ARG 22 HN ARG 22 -11.521 8.626 8.241 176 HA ARG 22 HA ARG 22 -14.316 8.286 7.405 177 1HB ARG 22 HB2 ARG 22 -12.115 10.314 7.125 178 2HB ARG 22 HB1 ARG 22 -13.544 10.448 6.099 179 1HG ARG 22 HG2 ARG 22 -14.761 10.034 8.465 180 2HG ARG 22 HG1 ARG 22 -13.285 10.810 9.043 181 1HD ARG 22 HD2 ARG 22 -13.912 12.843 8.227 182 2HD ARG 22 HD1 ARG 22 -14.484 12.144 6.698 183 HE ARG 22 HE ARG 22 -16.304 11.244 8.608 184 1HH1 ARG 22 HH11 ARG 22 -14.990 14.331 8.720 185 2HH1 ARG 22 HH12 ARG 22 -16.495 15.168 8.534 186 1HH2 ARG 22 HH21 ARG 22 -18.314 12.297 7.848 187 2HH2 ARG 22 HH22 ARG 22 -18.376 14.017 8.041 188 H LYS 23 HN LYS 23 -12.718 6.141 6.441 189 HA LYS 23 HA LYS 23 -12.107 5.028 4.445 190 1HB LYS 23 HB2 LYS 23 -14.479 5.224 4.109 191 2HB LYS 23 HB1 LYS 23 -14.335 6.923 3.656 192 1HG LYS 23 HG2 LYS 23 -13.458 6.429 1.554 193 2HG LYS 23 HG1 LYS 23 -12.851 4.853 2.066 194 1HD LYS 23 HD2 LYS 23 -15.142 3.985 2.196 195 2HD LYS 23 HD1 LYS 23 -15.782 5.567 1.752 196 1HE LYS 23 HE2 LYS 23 -14.849 5.434 -0.453 197 2HE LYS 23 HE1 LYS 23 -13.859 4.026 -0.018 198 1HZ LYS 23 HZ1 LYS 23 -16.223 3.758 -1.147 199 2HZ LYS 23 HZ2 LYS 23 -16.734 3.857 0.471 200 3HZ LYS 23 HZ3 LYS 23 -15.643 2.645 -0.006 201 H ALA 24 HN ALA 24 -12.993 7.902 2.647 202 HA ALA 24 HA ALA 24 -10.094 8.504 2.172 203 1HB ALA 24 HB1 ALA 24 -12.313 7.735 0.329 204 2HB ALA 24 HB2 ALA 24 -10.595 7.351 0.232 205 3HB ALA 24 HB3 ALA 24 -11.170 8.946 -0.252 206 H SER 25 HN SER 25 -9.949 10.714 0.960 207 HA SER 25 HA SER 25 -11.821 12.611 2.307 208 1HB SER 25 HB2 SER 25 -9.321 12.693 2.646 209 2HB SER 25 HB1 SER 25 -9.156 13.087 0.937 210 HG SER 25 HG SER 25 -10.856 14.782 1.619 211 H TRP 26 HN TRP 26 -12.992 11.403 0.111 212 HA TRP 26 HA TRP 26 -12.723 13.437 -2.080 213 1HB TRP 26 HB2 TRP 26 -12.799 10.549 -1.966 214 2HB TRP 26 HB1 TRP 26 -14.136 11.145 -2.949 215 HD1 TRP 26 HD1 TRP 26 -11.217 9.751 -3.856 216 HE1 TRP 26 HE1 TRP 26 -9.933 10.951 -5.741 217 HE3 TRP 26 HE3 TRP 26 -13.408 14.356 -3.620 218 HZ2 TRP 26 HZ2 TRP 26 -9.846 13.524 -6.984 219 HZ3 TRP 26 HZ3 TRP 26 -12.706 16.162 -5.166 220 HH2 TRP 26 HH2 TRP 26 -10.929 15.751 -6.846 221 H LYS 27 HN LYS 27 -15.038 13.149 -3.406 222 HA LYS 27 HA LYS 27 -17.285 13.291 -1.451 223 1HB LYS 27 HB2 LYS 27 -17.927 15.481 -2.591 224 2HB LYS 27 HB1 LYS 27 -16.478 15.554 -1.589 225 1HG LYS 27 HG2 LYS 27 -15.352 16.318 -3.383 226 2HG LYS 27 HG1 LYS 27 -15.597 14.745 -4.142 227 1HD LYS 27 HD2 LYS 27 -18.050 16.038 -4.456 228 2HD LYS 27 HD1 LYS 27 -16.855 17.299 -4.757 229 1HE LYS 27 HE2 LYS 27 -16.578 14.573 -6.034 230 2HE LYS 27 HE1 LYS 27 -17.557 15.849 -6.785 231 1HZ LYS 27 HZ1 LYS 27 -14.729 16.135 -5.911 232 2HZ LYS 27 HZ2 LYS 27 -15.675 17.350 -6.630 233 3HZ LYS 27 HZ3 LYS 27 -15.244 15.967 -7.519 234 H ASP 28 HN ASP 28 -16.162 11.920 -4.181 235 HA ASP 28 HA ASP 28 -18.582 12.212 -5.851 236 1HB ASP 28 HB2 ASP 28 -15.804 11.467 -6.136 237 2HB ASP 28 HB1 ASP 28 -16.836 10.228 -6.851 238 HA PRO 29 HA PRO 29 -18.933 7.560 -4.925 239 1HB PRO 29 HB2 PRO 29 -17.079 6.370 -3.302 240 2HB PRO 29 HB1 PRO 29 -16.871 6.524 -5.058 241 1HG PRO 29 HG2 PRO 29 -15.683 8.140 -2.865 242 2HG PRO 29 HG1 PRO 29 -14.968 7.613 -4.395 243 1HD PRO 29 HD2 PRO 29 -15.913 10.136 -3.941 244 2HD PRO 29 HD1 PRO 29 -15.813 9.388 -5.549 245 H GLU 30 HN GLU 30 -20.195 6.622 -3.238 246 HA GLU 30 HA GLU 30 -20.054 8.002 -0.578 247 1HB GLU 30 HB2 GLU 30 -22.445 8.212 -0.626 248 2HB GLU 30 HB1 GLU 30 -21.880 8.752 -2.208 249 1HG GLU 30 HG2 GLU 30 -22.237 6.317 -2.972 250 2HG GLU 30 HG1 GLU 30 -23.159 6.115 -1.482 251 H GLY 31 HN GLY 31 -20.823 6.678 1.210 252 1HA GLY 31 HA2 GLY 31 -20.853 3.751 0.583 253 2HA GLY 31 HA1 GLY 31 -20.146 4.416 2.057 254 H LYS 32 HN LYS 32 -22.915 3.002 0.802 255 HA LYS 32 HA LYS 32 -25.012 4.378 2.182 256 1HB LYS 32 HB2 LYS 32 -24.815 2.374 0.377 257 2HB LYS 32 HB1 LYS 32 -25.138 1.426 1.829 258 1HG LYS 32 HG2 LYS 32 -26.981 3.369 2.158 259 2HG LYS 32 HG1 LYS 32 -26.893 3.350 0.396 260 1HD LYS 32 HD2 LYS 32 -27.321 0.888 2.113 261 2HD LYS 32 HD1 LYS 32 -28.611 1.772 1.298 262 1HE LYS 32 HE2 LYS 32 -26.290 0.964 -0.392 263 2HE LYS 32 HE1 LYS 32 -27.391 -0.325 0.134 264 1HZ LYS 32 HZ1 LYS 32 -28.246 0.660 -1.872 265 2HZ LYS 32 HZ2 LYS 32 -28.154 2.219 -1.201 266 3HZ LYS 32 HZ3 LYS 32 -29.258 1.087 -0.580 267 H ILE 33 HN ILE 33 -23.812 1.130 3.083 268 HA ILE 33 HA ILE 33 -23.162 1.838 5.806 269 HB ILE 33 HB ILE 33 -25.941 1.440 5.066 270 1HG1 ILE 33 HG12 ILE 33 -25.165 3.237 6.515 271 2HG1 ILE 33 HG11 ILE 33 -26.268 2.208 7.425 272 1HG2 ILE 33 HG21 ILE 33 -26.499 -0.082 7.014 273 2HG2 ILE 33 HG22 ILE 33 -24.787 -0.499 7.088 274 3HG2 ILE 33 HG23 ILE 33 -25.727 -0.887 5.648 275 1HD1 ILE 33 HD11 ILE 33 -23.544 1.224 7.614 276 2HD1 ILE 33 HD12 ILE 33 -24.660 1.669 8.906 277 3HD1 ILE 33 HD13 ILE 33 -23.649 2.901 8.151 278 H ILE 34 HN ILE 34 -24.534 -0.808 3.814 279 HA ILE 34 HA ILE 34 -23.301 -2.967 5.210 280 HB ILE 34 HB ILE 34 -24.118 -2.615 2.308 281 1HG1 ILE 34 HG12 ILE 34 -25.893 -4.267 3.777 282 2HG1 ILE 34 HG11 ILE 34 -25.585 -2.850 4.782 283 1HG2 ILE 34 HG21 ILE 34 -24.349 -5.302 3.308 284 2HG2 ILE 34 HG22 ILE 34 -22.697 -4.735 3.553 285 3HG2 ILE 34 HG23 ILE 34 -23.404 -4.718 1.938 286 1HD1 ILE 34 HD11 ILE 34 -26.657 -2.928 1.958 287 2HD1 ILE 34 HD12 ILE 34 -26.019 -1.451 2.681 288 3HD1 ILE 34 HD13 ILE 34 -27.424 -2.246 3.393 289 H LEU 35 HN LEU 35 -21.311 -4.023 4.872 290 HA LEU 35 HA LEU 35 -19.488 -3.252 2.736 291 1HB LEU 35 HB2 LEU 35 -17.908 -2.026 4.066 292 2HB LEU 35 HB1 LEU 35 -19.486 -1.320 4.392 293 HG LEU 35 HG LEU 35 -18.456 -1.546 6.521 294 1HD1 LEU 35 HD11 LEU 35 -19.918 -2.990 7.700 295 2HD1 LEU 35 HD12 LEU 35 -20.057 -4.098 6.335 296 3HD1 LEU 35 HD13 LEU 35 -20.817 -2.508 6.262 297 1HD2 LEU 35 HD21 LEU 35 -17.918 -4.461 6.313 298 2HD2 LEU 35 HD22 LEU 35 -16.999 -3.202 7.139 299 3HD2 LEU 35 HD23 LEU 35 -16.851 -3.401 5.393 300 H THR 36 HN THR 36 -17.171 -4.202 3.387 301 HA THR 36 HA THR 36 -17.285 -6.510 5.206 302 HB THR 36 HB THR 36 -18.500 -7.184 3.107 303 HG1 THR 36 HG1 THR 36 -16.943 -8.536 4.475 304 1HG2 THR 36 HG21 THR 36 -16.286 -5.857 1.915 305 2HG2 THR 36 HG22 THR 36 -17.650 -6.627 1.104 306 3HG2 THR 36 HG23 THR 36 -16.191 -7.556 1.450 307 H THR 37 HN THR 37 -15.163 -7.883 3.654 308 HA THR 37 HA THR 37 -12.799 -7.867 3.584 309 HB THR 37 HB THR 37 -13.549 -5.032 2.806 310 HG1 THR 37 HG1 THR 37 -14.006 -7.211 1.612 311 1HG2 THR 37 HG21 THR 37 -11.212 -5.279 1.618 312 2HG2 THR 37 HG22 THR 37 -10.904 -6.444 2.906 313 3HG2 THR 37 HG23 THR 37 -11.290 -4.770 3.305 314 H THR 38 HN THR 38 -12.345 -8.175 5.829 315 HA THR 38 HA THR 38 -11.955 -5.679 7.444 316 HB THR 38 HB THR 38 -11.971 -7.601 9.282 317 HG1 THR 38 HG1 THR 38 -12.164 -9.412 8.188 318 1HG2 THR 38 HG21 THR 38 -13.997 -5.969 8.004 319 2HG2 THR 38 HG22 THR 38 -13.822 -6.395 9.707 320 3HG2 THR 38 HG23 THR 38 -14.693 -7.471 8.614 321 H ARG 39 HN ARG 39 -10.233 -6.467 9.340 322 HA ARG 39 HA ARG 39 -7.664 -6.284 8.368 323 1HB ARG 39 HB2 ARG 39 -9.006 -7.112 10.778 324 2HB ARG 39 HB1 ARG 39 -7.582 -8.123 10.527 325 1HG ARG 39 HG2 ARG 39 -6.435 -5.802 9.967 326 2HG ARG 39 HG1 ARG 39 -7.753 -5.163 10.950 327 1HD ARG 39 HD2 ARG 39 -7.037 -6.310 12.881 328 2HD ARG 39 HD1 ARG 39 -6.078 -7.473 11.943 329 HE ARG 39 HE ARG 39 -5.099 -4.849 11.398 330 1HH1 ARG 39 HH11 ARG 39 -5.626 -5.052 14.470 331 2HH1 ARG 39 HH12 ARG 39 -4.037 -5.474 15.015 332 1HH2 ARG 39 HH21 ARG 39 -2.889 -6.315 11.852 333 2HH2 ARG 39 HH22 ARG 39 -2.487 -6.189 13.532 334 H GLU 40 HN GLU 40 -8.718 -9.470 9.544 335 HA GLU 40 HA GLU 40 -6.865 -11.084 8.280 336 1HB GLU 40 HB2 GLU 40 -8.646 -11.766 9.873 337 2HB GLU 40 HB1 GLU 40 -9.843 -11.568 8.597 338 1HG GLU 40 HG2 GLU 40 -8.641 -13.274 7.239 339 2HG GLU 40 HG1 GLU 40 -7.514 -13.509 8.576 340 H ALA 41 HN ALA 41 -10.128 -10.513 6.918 341 HA ALA 41 HA ALA 41 -9.785 -11.574 4.374 342 1HB ALA 41 HB1 ALA 41 -11.700 -10.192 5.682 343 2HB ALA 41 HB2 ALA 41 -11.753 -10.455 3.939 344 3HB ALA 41 HB3 ALA 41 -11.142 -8.932 4.583 345 H ALA 42 HN ALA 42 -9.277 -8.116 5.144 346 HA ALA 42 HA ALA 42 -8.184 -7.206 2.771 347 1HB ALA 42 HB1 ALA 42 -8.286 -5.540 4.355 348 2HB ALA 42 HB2 ALA 42 -6.594 -5.970 4.606 349 3HB ALA 42 HB3 ALA 42 -7.839 -6.633 5.665 350 H VAL 43 HN VAL 43 -6.231 -8.549 5.444 351 HA VAL 43 HA VAL 43 -3.759 -8.738 4.127 352 HB VAL 43 HB VAL 43 -5.208 -10.240 6.281 353 1HG1 VAL 43 HG11 VAL 43 -2.610 -11.223 6.407 354 2HG1 VAL 43 HG12 VAL 43 -3.021 -11.355 4.698 355 3HG1 VAL 43 HG13 VAL 43 -4.036 -12.133 5.909 356 1HG2 VAL 43 HG21 VAL 43 -4.051 -8.809 7.578 357 2HG2 VAL 43 HG22 VAL 43 -3.465 -8.033 6.107 358 3HG2 VAL 43 HG23 VAL 43 -2.526 -9.324 6.858 359 H GLU 44 HN GLU 44 -6.280 -11.270 4.334 360 HA GLU 44 HA GLU 44 -5.168 -13.188 2.614 361 1HB GLU 44 HB2 GLU 44 -7.836 -12.344 3.562 362 2HB GLU 44 HB1 GLU 44 -7.862 -13.260 2.054 363 1HG GLU 44 HG2 GLU 44 -6.092 -14.744 3.482 364 2HG GLU 44 HG1 GLU 44 -7.115 -14.138 4.786 365 H GLN 45 HN GLN 45 -7.337 -10.485 1.702 366 HA GLN 45 HA GLN 45 -7.275 -10.897 -1.108 367 1HB GLN 45 HB2 GLN 45 -8.166 -8.970 0.794 368 2HB GLN 45 HB1 GLN 45 -7.243 -8.095 -0.428 369 1HG GLN 45 HG2 GLN 45 -9.057 -8.200 -1.758 370 2HG GLN 45 HG1 GLN 45 -8.791 -9.940 -1.870 371 1HE2 GLN 45 HE21 GLN 45 -11.382 -8.303 -1.658 372 2HE2 GLN 45 HE22 GLN 45 -12.210 -9.002 -0.351 373 H LEU 46 HN LEU 46 -5.011 -9.365 1.105 374 HA LEU 46 HA LEU 46 -3.252 -8.381 -1.031 375 1HB LEU 46 HB2 LEU 46 -3.434 -8.344 1.952 376 2HB LEU 46 HB1 LEU 46 -1.851 -8.058 1.229 377 HG LEU 46 HG LEU 46 -3.428 -6.482 -0.348 378 1HD1 LEU 46 HD11 LEU 46 -4.579 -6.400 2.458 379 2HD1 LEU 46 HD12 LEU 46 -5.426 -6.932 1.005 380 3HD1 LEU 46 HD13 LEU 46 -4.942 -5.245 1.176 381 1HD2 LEU 46 HD21 LEU 46 -2.746 -4.754 1.684 382 2HD2 LEU 46 HD22 LEU 46 -1.651 -5.280 0.406 383 3HD2 LEU 46 HD23 LEU 46 -1.645 -6.101 1.966 384 H LYS 47 HN LYS 47 -3.655 -11.281 0.840 385 HA LYS 47 HA LYS 47 -0.975 -12.299 0.803 386 1HB LYS 47 HB2 LYS 47 -3.749 -13.509 0.871 387 2HB LYS 47 HB1 LYS 47 -2.310 -14.516 0.942 388 1HG LYS 47 HG2 LYS 47 -3.201 -12.411 2.917 389 2HG LYS 47 HG1 LYS 47 -2.917 -14.123 3.211 390 1HD LYS 47 HD2 LYS 47 -0.851 -11.990 2.629 391 2HD LYS 47 HD1 LYS 47 -1.013 -12.960 4.092 392 1HE LYS 47 HE2 LYS 47 -0.704 -14.994 2.453 393 2HE LYS 47 HE1 LYS 47 0.027 -13.779 1.389 394 1HZ LYS 47 HZ1 LYS 47 1.126 -14.958 3.702 395 2HZ LYS 47 HZ2 LYS 47 0.946 -13.291 3.978 396 3HZ LYS 47 HZ3 LYS 47 1.842 -13.843 2.645 397 H SER 48 HN SER 48 -3.722 -13.221 -1.288 398 HA SER 48 HA SER 48 -2.181 -14.544 -3.302 399 1HB SER 48 HB2 SER 48 -4.834 -14.081 -2.711 400 2HB SER 48 HB1 SER 48 -4.610 -13.086 -4.146 401 HG SER 48 HG SER 48 -5.011 -15.016 -5.002 402 H ILE 49 HN ILE 49 -3.147 -11.155 -2.864 403 HA ILE 49 HA ILE 49 -2.463 -10.037 -5.325 404 HB ILE 49 HB ILE 49 -2.880 -9.237 -2.612 405 1HG1 ILE 49 HG12 ILE 49 -4.067 -8.560 -4.748 406 2HG1 ILE 49 HG11 ILE 49 -3.707 -7.233 -3.642 407 1HG2 ILE 49 HG21 ILE 49 -0.624 -8.624 -2.249 408 2HG2 ILE 49 HG22 ILE 49 -1.393 -7.121 -2.758 409 3HG2 ILE 49 HG23 ILE 49 -0.425 -8.047 -3.904 410 1HD1 ILE 49 HD11 ILE 49 -3.140 -6.854 -6.123 411 2HD1 ILE 49 HD12 ILE 49 -1.821 -7.998 -5.875 412 3HD1 ILE 49 HD13 ILE 49 -1.869 -6.495 -4.955 413 H ARG 50 HN ARG 50 -0.193 -10.418 -2.570 414 HA ARG 50 HA ARG 50 2.183 -9.708 -3.869 415 1HB ARG 50 HB2 ARG 50 3.135 -10.597 -1.966 416 2HB ARG 50 HB1 ARG 50 1.460 -10.713 -1.439 417 1HG ARG 50 HG2 ARG 50 1.349 -13.038 -2.229 418 2HG ARG 50 HG1 ARG 50 3.007 -12.927 -2.822 419 1HD ARG 50 HD2 ARG 50 3.836 -12.557 -0.538 420 2HD ARG 50 HD1 ARG 50 2.174 -12.594 0.084 421 HE ARG 50 HE ARG 50 3.597 -14.924 -1.124 422 1HH1 ARG 50 HH21 ARG 50 0.689 -15.109 -1.625 423 2HH1 ARG 50 HH22 ARG 50 0.105 -15.915 -0.208 424 1HH2 ARG 50 HH11 ARG 50 2.959 -15.272 1.656 425 2HH2 ARG 50 HH12 ARG 50 1.390 -16.006 1.651 426 H GLU 51 HN GLU 51 0.489 -12.830 -3.886 427 HA GLU 51 HA GLU 51 2.335 -14.239 -5.605 428 1HB GLU 51 HB2 GLU 51 0.903 -15.656 -4.483 429 2HB GLU 51 HB1 GLU 51 -0.397 -14.484 -4.451 430 1HG GLU 51 HG2 GLU 51 -0.817 -16.569 -5.847 431 2HG GLU 51 HG1 GLU 51 -1.073 -15.033 -6.670 432 H ASP 52 HN ASP 52 -0.930 -12.999 -6.299 433 HA ASP 52 HA ASP 52 -0.910 -13.174 -9.093 434 1HB ASP 52 HB2 ASP 52 -2.780 -12.410 -7.566 435 2HB ASP 52 HB1 ASP 52 -1.966 -10.851 -7.436 436 H ILE 53 HN ILE 53 0.342 -10.519 -7.060 437 HA ILE 53 HA ILE 53 1.385 -8.900 -9.195 438 HB ILE 53 HB ILE 53 2.243 -9.290 -6.301 439 1HG1 ILE 53 HG12 ILE 53 -0.181 -8.619 -6.828 440 2HG1 ILE 53 HG11 ILE 53 0.715 -7.547 -5.753 441 1HG2 ILE 53 HG21 ILE 53 3.943 -8.140 -7.726 442 2HG2 ILE 53 HG22 ILE 53 3.266 -7.082 -6.488 443 3HG2 ILE 53 HG23 ILE 53 2.724 -6.942 -8.161 444 1HD1 ILE 53 HD11 ILE 53 1.287 -6.125 -7.738 445 2HD1 ILE 53 HD12 ILE 53 -0.443 -6.193 -7.406 446 3HD1 ILE 53 HD13 ILE 53 0.240 -7.149 -8.721 447 H VAL 54 HN VAL 54 2.527 -11.692 -7.419 448 HA VAL 54 HA VAL 54 5.256 -11.663 -8.395 449 HB VAL 54 HB VAL 54 3.403 -13.397 -6.839 450 1HG1 VAL 54 HG11 VAL 54 5.006 -15.297 -6.878 451 2HG1 VAL 54 HG12 VAL 54 5.881 -14.496 -8.183 452 3HG1 VAL 54 HG13 VAL 54 4.223 -15.041 -8.437 453 1HG2 VAL 54 HG21 VAL 54 6.281 -12.522 -6.540 454 2HG2 VAL 54 HG22 VAL 54 5.417 -13.514 -5.366 455 3HG2 VAL 54 HG23 VAL 54 4.882 -11.865 -5.690 456 H SER 55 HN SER 55 2.558 -13.921 -9.095 457 HA SER 55 HA SER 55 3.787 -14.486 -11.752 458 1HB SER 55 HB2 SER 55 1.368 -15.943 -11.144 459 2HB SER 55 HB1 SER 55 3.003 -16.557 -11.351 460 HG SER 55 HG SER 55 1.899 -16.780 -9.202 461 H GLY 56 HN GLY 56 2.769 -13.860 -13.654 462 1HA GLY 56 HA2 GLY 56 0.924 -13.162 -15.013 463 2HA GLY 56 HA1 GLY 56 -0.008 -12.861 -13.543 464 H LYS 57 HN LYS 57 1.661 -11.365 -16.002 465 HA LYS 57 HA LYS 57 2.908 -9.148 -14.680 466 1HB LYS 57 HB2 LYS 57 3.202 -10.003 -17.047 467 2HB LYS 57 HB1 LYS 57 1.648 -9.265 -17.433 468 1HG LYS 57 HG2 LYS 57 3.148 -7.568 -18.022 469 2HG LYS 57 HG1 LYS 57 2.709 -7.112 -16.376 470 1HD LYS 57 HD2 LYS 57 4.762 -7.716 -15.512 471 2HD LYS 57 HD1 LYS 57 5.018 -8.974 -16.722 472 1HE LYS 57 HE2 LYS 57 5.247 -7.071 -18.437 473 2HE LYS 57 HE1 LYS 57 5.381 -5.985 -17.040 474 1HZ LYS 57 HZ1 LYS 57 6.953 -8.297 -16.616 475 2HZ LYS 57 HZ2 LYS 57 7.449 -6.674 -16.688 476 3HZ LYS 57 HZ3 LYS 57 7.375 -7.605 -18.106 477 H ALA 58 HN ALA 58 0.627 -9.286 -13.247 478 HA ALA 58 HA ALA 58 -1.685 -7.905 -14.146 479 1HB ALA 58 HB1 ALA 58 -1.041 -9.276 -12.005 480 2HB ALA 58 HB2 ALA 58 -2.231 -7.981 -11.869 481 3HB ALA 58 HB3 ALA 58 -0.564 -7.703 -11.367 482 H ASN 59 HN ASN 59 1.463 -6.746 -13.517 483 HA ASN 59 HA ASN 59 2.377 -4.583 -13.761 484 1HB ASN 59 HB2 ASN 59 0.289 -4.517 -15.328 485 2HB ASN 59 HB1 ASN 59 -0.434 -3.577 -14.031 486 1HD2 ASN 59 HD21 ASN 59 2.923 -3.606 -15.346 487 2HD2 ASN 59 HD22 ASN 59 2.964 -1.942 -15.684 488 H PHE 60 HN PHE 60 0.677 -2.212 -12.758 489 HA PHE 60 HA PHE 60 0.001 -2.737 -10.001 490 1HB PHE 60 HB2 PHE 60 2.504 -3.178 -10.163 491 2HB PHE 60 HB1 PHE 60 2.698 -1.456 -10.480 492 HD1 PHE 60 HD1 PHE 60 1.674 0.192 -8.770 493 HD2 PHE 60 HD2 PHE 60 2.347 -3.972 -7.953 494 HE1 PHE 60 HE1 PHE 60 1.583 0.654 -6.335 495 HE2 PHE 60 HE2 PHE 60 2.254 -3.510 -5.520 496 HZ PHE 60 HZ PHE 60 1.872 -1.197 -4.710 497 H GLU 61 HN GLU 61 1.481 -0.266 -12.111 498 HA GLU 61 HA GLU 61 0.679 2.060 -10.796 499 1HB GLU 61 HB2 GLU 61 0.518 2.915 -13.289 500 2HB GLU 61 HB1 GLU 61 2.063 2.371 -12.645 501 1HG GLU 61 HG2 GLU 61 2.128 0.553 -14.009 502 2HG GLU 61 HG1 GLU 61 0.408 0.222 -13.806 503 H GLU 62 HN GLU 62 -1.099 1.498 -13.784 504 HA GLU 62 HA GLU 62 -3.441 2.800 -13.229 505 1HB GLU 62 HB2 GLU 62 -2.544 1.119 -15.162 506 2HB GLU 62 HB1 GLU 62 -3.764 0.087 -14.415 507 1HG GLU 62 HG2 GLU 62 -4.180 2.863 -15.557 508 2HG GLU 62 HG1 GLU 62 -4.839 1.349 -16.177 509 H VAL 63 HN VAL 63 -2.807 -0.606 -12.286 510 HA VAL 63 HA VAL 63 -5.260 -1.161 -11.014 511 HB VAL 63 HB VAL 63 -2.401 -1.967 -10.411 512 1HG1 VAL 63 HG11 VAL 63 -3.730 -2.309 -8.390 513 2HG1 VAL 63 HG12 VAL 63 -3.421 -3.868 -9.154 514 3HG1 VAL 63 HG13 VAL 63 -4.999 -3.099 -9.327 515 1HG2 VAL 63 HG21 VAL 63 -2.711 -3.620 -11.956 516 2HG2 VAL 63 HG22 VAL 63 -3.959 -2.538 -12.574 517 3HG2 VAL 63 HG23 VAL 63 -4.397 -3.865 -11.499 518 H ALA 64 HN ALA 64 -2.394 0.533 -9.789 519 HA ALA 64 HA ALA 64 -3.375 0.860 -7.087 520 1HB ALA 64 HB1 ALA 64 -1.326 2.336 -8.773 521 2HB ALA 64 HB2 ALA 64 -1.010 0.964 -7.711 522 3HB ALA 64 HB3 ALA 64 -1.493 2.516 -7.027 523 H THR 65 HN THR 65 -3.021 3.221 -9.756 524 HA THR 65 HA THR 65 -4.176 5.485 -8.767 525 HB THR 65 HB THR 65 -5.385 5.135 -11.277 526 HG1 THR 65 HG1 THR 65 -2.824 4.084 -11.514 527 1HG2 THR 65 HG21 THR 65 -3.304 6.639 -10.042 528 2HG2 THR 65 HG22 THR 65 -4.160 6.996 -11.543 529 3HG2 THR 65 HG23 THR 65 -2.686 6.027 -11.576 530 H ARG 66 HN ARG 66 -5.923 2.488 -9.430 531 HA ARG 66 HA ARG 66 -8.537 3.821 -8.964 532 1HB ARG 66 HB2 ARG 66 -8.445 2.287 -10.793 533 2HB ARG 66 HB1 ARG 66 -7.618 1.072 -9.817 534 1HG ARG 66 HG2 ARG 66 -9.979 0.469 -10.063 535 2HG ARG 66 HG1 ARG 66 -9.637 0.879 -8.383 536 1HD ARG 66 HD2 ARG 66 -10.467 3.220 -8.859 537 2HD ARG 66 HD1 ARG 66 -10.992 2.640 -10.452 538 HE ARG 66 HE ARG 66 -12.076 1.693 -7.843 539 1HH1 ARG 66 HH11 ARG 66 -13.776 3.023 -9.937 540 2HH1 ARG 66 HH12 ARG 66 -14.536 1.664 -10.696 541 1HH2 ARG 66 HH21 ARG 66 -12.299 -0.647 -9.395 542 2HH2 ARG 66 HH22 ARG 66 -13.698 -0.417 -10.389 543 H VAL 67 HN VAL 67 -7.194 0.738 -7.804 544 HA VAL 67 HA VAL 67 -8.740 0.873 -5.331 545 HB VAL 67 HB VAL 67 -8.378 -1.220 -6.531 546 1HG1 VAL 67 HG11 VAL 67 -6.420 -1.408 -7.641 547 2HG1 VAL 67 HG12 VAL 67 -5.703 -1.871 -6.097 548 3HG1 VAL 67 HG13 VAL 67 -5.649 -0.189 -6.626 549 1HG2 VAL 67 HG21 VAL 67 -6.578 -1.489 -4.143 550 2HG2 VAL 67 HG22 VAL 67 -7.874 -2.555 -4.685 551 3HG2 VAL 67 HG23 VAL 67 -8.262 -1.022 -3.904 552 H SER 68 HN SER 68 -7.361 3.079 -5.033 553 HA SER 68 HA SER 68 -5.038 2.371 -3.260 554 1HB SER 68 HB2 SER 68 -4.044 4.490 -4.070 555 2HB SER 68 HB1 SER 68 -4.360 3.381 -5.396 556 HG SER 68 HG SER 68 -6.236 4.520 -5.849 557 H ASP 69 HN ASP 69 -4.549 4.362 -1.783 558 HA ASP 69 HA ASP 69 -6.851 4.916 -0.135 559 1HB ASP 69 HB2 ASP 69 -4.211 4.818 0.246 560 2HB ASP 69 HB1 ASP 69 -4.353 6.554 -0.035 561 H CYS 70 HN CYS 70 -7.980 5.795 -2.279 562 HA CYS 70 HA CYS 70 -8.838 7.640 -3.458 563 1HB CYS 70 HB2 CYS 70 -9.763 8.090 -1.304 564 2HB CYS 70 HB1 CYS 70 -8.214 8.657 -0.681 565 HG CYS 70 HG CYS 70 -8.502 10.865 -1.902 566 H SER 71 HN SER 71 -6.768 9.732 -1.532 567 HA SER 71 HA SER 71 -5.744 11.340 -3.544 568 1HB SER 71 HB2 SER 71 -5.398 11.561 -1.088 569 2HB SER 71 HB1 SER 71 -4.284 10.205 -1.135 570 HG SER 71 HG SER 71 -2.849 11.410 -2.234 571 H SER 72 HN SER 72 -4.178 8.402 -2.283 572 HA SER 72 HA SER 72 -2.041 8.223 -4.110 573 1HB SER 72 HB2 SER 72 -2.659 5.634 -3.718 574 2HB SER 72 HB1 SER 72 -1.970 6.628 -2.440 575 HG SER 72 HG SER 72 -4.754 6.441 -2.892 576 H ALA 73 HN ALA 73 -5.491 7.446 -4.594 577 HA ALA 73 HA ALA 73 -5.327 5.994 -7.022 578 1HB ALA 73 HB1 ALA 73 -7.374 6.726 -5.648 579 2HB ALA 73 HB2 ALA 73 -7.557 6.809 -7.399 580 3HB ALA 73 HB3 ALA 73 -7.245 8.277 -6.475 581 H LYS 74 HN LYS 74 -4.962 9.413 -6.301 582 HA LYS 74 HA LYS 74 -4.606 10.295 -9.059 583 1HB LYS 74 HB2 LYS 74 -5.327 11.662 -7.041 584 2HB LYS 74 HB1 LYS 74 -3.677 11.532 -6.436 585 1HG LYS 74 HG2 LYS 74 -3.027 13.234 -7.759 586 2HG LYS 74 HG1 LYS 74 -3.603 12.372 -9.187 587 1HD LYS 74 HD2 LYS 74 -5.583 13.748 -7.396 588 2HD LYS 74 HD1 LYS 74 -4.662 14.697 -8.564 589 1HE LYS 74 HE2 LYS 74 -5.449 13.217 -10.390 590 2HE LYS 74 HE1 LYS 74 -6.397 12.285 -9.214 591 1HZ LYS 74 HZ1 LYS 74 -7.358 14.419 -10.481 592 2HZ LYS 74 HZ2 LYS 74 -6.701 15.174 -9.108 593 3HZ LYS 74 HZ3 LYS 74 -7.870 13.953 -8.933 594 H ARG 75 HN ARG 75 -2.622 9.061 -6.473 595 HA ARG 75 HA ARG 75 -0.156 9.149 -8.184 596 1HB ARG 75 HB2 ARG 75 -0.653 9.335 -5.194 597 2HB ARG 75 HB1 ARG 75 0.954 9.135 -5.883 598 1HG ARG 75 HG2 ARG 75 0.615 11.210 -7.207 599 2HG ARG 75 HG1 ARG 75 -0.955 11.422 -6.435 600 1HD ARG 75 HD2 ARG 75 0.627 11.099 -4.236 601 2HD ARG 75 HD1 ARG 75 1.753 11.914 -5.341 602 HE ARG 75 HE ARG 75 -0.875 13.003 -4.457 603 1HH1 ARG 75 HH11 ARG 75 2.304 13.791 -4.768 604 2HH1 ARG 75 HH12 ARG 75 2.070 15.249 -5.674 605 1HH2 ARG 75 HH21 ARG 75 -1.295 14.658 -6.266 606 2HH2 ARG 75 HH22 ARG 75 0.033 15.740 -6.522 607 H GLY 76 HN GLY 76 -1.866 7.009 -8.583 608 1HA GLY 76 HA2 GLY 76 -1.587 4.835 -6.750 609 2HA GLY 76 HA1 GLY 76 -2.063 4.679 -8.440 610 H GLY 77 HN GLY 77 0.518 6.127 -9.156 611 1HA GLY 77 HA2 GLY 77 2.062 3.836 -9.784 612 2HA GLY 77 HA1 GLY 77 2.690 5.485 -9.775 613 H ASP 78 HN ASP 78 3.851 6.203 -7.990 614 HA ASP 78 HA ASP 78 4.045 4.476 -5.598 615 1HB ASP 78 HB2 ASP 78 6.351 3.938 -6.003 616 2HB ASP 78 HB1 ASP 78 5.515 3.633 -7.519 617 H LEU 79 HN LEU 79 5.775 5.481 -4.065 618 HA LEU 79 HA LEU 79 5.251 8.378 -3.877 619 1HB LEU 79 HB2 LEU 79 7.251 7.285 -2.027 620 2HB LEU 79 HB1 LEU 79 5.717 8.062 -1.662 621 HG LEU 79 HG LEU 79 4.759 5.709 -2.512 622 1HD1 LEU 79 HD11 LEU 79 7.072 4.598 -1.060 623 2HD1 LEU 79 HD12 LEU 79 7.451 5.207 -2.672 624 3HD1 LEU 79 HD13 LEU 79 6.215 3.966 -2.464 625 1HD2 LEU 79 HD21 LEU 79 4.117 6.285 -0.355 626 2HD2 LEU 79 HD22 LEU 79 5.772 6.619 0.157 627 3HD2 LEU 79 HD23 LEU 79 5.215 4.952 0.004 628 H GLY 80 HN GLY 80 8.088 6.271 -4.095 629 1HA GLY 80 HA2 GLY 80 9.731 6.933 -5.918 630 2HA GLY 80 HA1 GLY 80 9.661 8.543 -5.208 631 H SER 81 HN SER 81 10.451 8.818 -3.032 632 HA SER 81 HA SER 81 12.056 6.587 -1.920 633 1HB SER 81 HB2 SER 81 14.087 7.552 -2.357 634 2HB SER 81 HB1 SER 81 13.183 8.180 -3.731 635 HG SER 81 HG SER 81 12.796 10.068 -2.525 636 H PHE 82 HN PHE 82 12.512 6.834 0.269 637 HA PHE 82 HA PHE 82 12.175 9.314 1.743 638 1HB PHE 82 HB2 PHE 82 10.148 8.401 3.006 639 2HB PHE 82 HB1 PHE 82 9.832 8.890 1.341 640 HD1 PHE 82 HD1 PHE 82 9.679 7.161 -0.464 641 HD2 PHE 82 HD2 PHE 82 9.982 6.111 3.689 642 HE1 PHE 82 HE1 PHE 82 8.911 4.866 -0.991 643 HE2 PHE 82 HE2 PHE 82 9.209 3.817 3.163 644 HZ PHE 82 HZ PHE 82 8.677 3.192 0.821 645 H GLY 83 HN GLY 83 12.156 8.600 4.271 646 1HA GLY 83 HA2 GLY 83 13.149 5.942 4.819 647 2HA GLY 83 HA1 GLY 83 14.469 7.107 4.769 648 H ARG 84 HN ARG 84 14.846 8.313 6.557 649 HA ARG 84 HA ARG 84 13.617 7.679 9.052 650 1HB ARG 84 HB2 ARG 84 15.531 9.671 7.934 651 2HB ARG 84 HB1 ARG 84 14.837 10.038 9.514 652 1HG ARG 84 HG2 ARG 84 16.974 8.725 9.650 653 2HG ARG 84 HG1 ARG 84 15.603 7.915 10.407 654 1HD ARG 84 HD2 ARG 84 15.531 6.252 8.806 655 2HD ARG 84 HD1 ARG 84 16.095 7.331 7.515 656 HE ARG 84 HE ARG 84 18.322 7.275 8.960 657 1HH1 ARG 84 HH11 ARG 84 16.279 4.798 7.767 658 2HH1 ARG 84 HH12 ARG 84 17.365 3.511 8.169 659 1HH2 ARG 84 HH21 ARG 84 19.659 5.581 9.743 660 2HH2 ARG 84 HH22 ARG 84 19.279 3.953 9.287 661 H GLY 85 HN GLY 85 11.295 7.982 8.298 662 1HA GLY 85 HA2 GLY 85 9.741 9.745 9.450 663 2HA GLY 85 HA1 GLY 85 10.465 10.843 8.274 664 H GLN 86 HN GLN 86 8.284 11.138 7.409 665 HA GLN 86 HA GLN 86 6.588 10.678 5.816 666 1HB GLN 86 HB2 GLN 86 8.905 8.931 4.995 667 2HB GLN 86 HB1 GLN 86 7.419 8.973 4.061 668 1HG GLN 86 HG2 GLN 86 9.305 11.269 4.616 669 2HG GLN 86 HG1 GLN 86 8.880 10.561 3.058 670 1HE2 GLN 86 HE21 GLN 86 8.056 13.049 5.261 671 2HE2 GLN 86 HE22 GLN 86 6.573 13.491 4.565 672 H MET 87 HN MET 87 5.341 8.819 4.840 673 HA MET 87 HA MET 87 3.743 7.139 5.478 674 1HB MET 87 HB2 MET 87 6.480 6.399 4.786 675 2HB MET 87 HB1 MET 87 5.619 5.094 5.604 676 1HG MET 87 HG2 MET 87 4.138 4.823 3.875 677 2HG MET 87 HG1 MET 87 4.091 6.549 3.519 678 1HE MET 87 HE1 MET 87 7.738 7.013 2.660 679 2HE MET 87 HE2 MET 87 6.236 7.682 3.287 680 3HE MET 87 HE3 MET 87 6.512 7.633 1.548 681 H GLN 88 HN GLN 88 4.532 8.516 7.937 682 HA GLN 88 HA GLN 88 4.724 8.126 10.270 683 1HB GLN 88 HB2 GLN 88 2.988 5.854 9.245 684 2HB GLN 88 HB1 GLN 88 3.086 6.341 10.938 685 1HG GLN 88 HG2 GLN 88 1.530 7.915 10.552 686 2HG GLN 88 HG1 GLN 88 2.639 8.704 9.430 687 1HE2 GLN 88 HE21 GLN 88 -0.029 8.887 8.761 688 2HE2 GLN 88 HE22 GLN 88 -0.401 7.848 7.471 689 H LYS 89 HN LYS 89 4.585 5.427 11.481 690 HA LYS 89 HA LYS 89 7.414 4.653 11.020 691 1HB LYS 89 HB2 LYS 89 6.144 5.286 13.245 692 2HB LYS 89 HB1 LYS 89 5.661 3.590 13.200 693 1HG LYS 89 HG2 LYS 89 7.949 2.853 13.186 694 2HG LYS 89 HG1 LYS 89 8.536 4.499 12.939 695 1HD LYS 89 HD2 LYS 89 7.033 4.799 15.210 696 2HD LYS 89 HD1 LYS 89 7.667 3.167 15.424 697 1HE LYS 89 HE2 LYS 89 9.864 3.890 15.563 698 2HE LYS 89 HE1 LYS 89 9.574 5.295 14.518 699 1HZ LYS 89 HZ1 LYS 89 7.991 6.011 16.403 700 2HZ LYS 89 HZ2 LYS 89 9.661 6.244 16.612 701 3HZ LYS 89 HZ3 LYS 89 8.884 4.934 17.364 702 HA PRO 90 HA PRO 90 4.965 0.516 10.651 703 1HB PRO 90 HB2 PRO 90 2.608 0.655 9.265 704 2HB PRO 90 HB1 PRO 90 2.712 0.752 11.034 705 1HG PRO 90 HG2 PRO 90 2.366 2.921 9.037 706 2HG PRO 90 HG1 PRO 90 1.668 2.749 10.653 707 1HD PRO 90 HD2 PRO 90 3.781 4.375 10.060 708 2HD PRO 90 HD1 PRO 90 3.478 3.696 11.673 709 H PHE 91 HN PHE 91 3.605 2.246 7.818 710 HA PHE 91 HA PHE 91 4.404 0.560 5.806 711 1HB PHE 91 HB2 PHE 91 3.123 2.633 5.491 712 2HB PHE 91 HB1 PHE 91 4.566 3.587 5.819 713 HD1 PHE 91 HD1 PHE 91 6.712 2.826 4.295 714 HD2 PHE 91 HD2 PHE 91 2.579 2.273 3.252 715 HE1 PHE 91 HE1 PHE 91 7.349 2.583 1.956 716 HE2 PHE 91 HE2 PHE 91 3.239 2.068 0.865 717 HZ PHE 91 HZ PHE 91 5.618 2.223 0.217 718 H GLU 92 HN GLU 92 6.447 3.348 6.734 719 HA GLU 92 HA GLU 92 8.704 2.855 5.250 720 1HB GLU 92 HB2 GLU 92 8.242 4.671 6.964 721 2HB GLU 92 HB1 GLU 92 8.749 3.528 8.207 722 1HG GLU 92 HG2 GLU 92 10.679 3.599 6.046 723 2HG GLU 92 HG1 GLU 92 10.412 5.219 6.688 724 H GLU 93 HN GLU 93 8.383 1.552 8.569 725 HA GLU 93 HA GLU 93 10.590 -0.191 8.507 726 1HB GLU 93 HB2 GLU 93 9.498 0.132 10.567 727 2HB GLU 93 HB1 GLU 93 7.904 -0.162 9.875 728 1HG GLU 93 HG2 GLU 93 8.733 -2.052 11.304 729 2HG GLU 93 HG1 GLU 93 8.384 -2.532 9.642 730 H ALA 94 HN ALA 94 7.577 -0.414 6.809 731 HA ALA 94 HA ALA 94 7.568 -3.282 6.349 732 1HB ALA 94 HB1 ALA 94 5.810 -1.218 6.098 733 2HB ALA 94 HB2 ALA 94 5.598 -2.760 5.269 734 3HB ALA 94 HB3 ALA 94 6.321 -1.394 4.419 735 H THR 95 HN THR 95 8.281 -0.515 4.204 736 HA THR 95 HA THR 95 9.338 -2.145 2.077 737 HB THR 95 HB THR 95 9.940 0.764 2.689 738 HG1 THR 95 HG1 THR 95 7.909 0.759 1.172 739 1HG2 THR 95 HG21 THR 95 9.469 -0.650 0.053 740 2HG2 THR 95 HG22 THR 95 11.070 -0.405 0.751 741 3HG2 THR 95 HG23 THR 95 10.086 0.985 0.293 742 H TYR 96 HN TYR 96 10.660 -0.899 5.031 743 HA TYR 96 HA TYR 96 13.472 -1.141 4.210 744 1HB TYR 96 HB2 TYR 96 11.842 -0.382 6.581 745 2HB TYR 96 HB1 TYR 96 13.455 -1.006 6.921 746 HD1 TYR 96 HD1 TYR 96 11.565 1.861 5.980 747 HD2 TYR 96 HD2 TYR 96 15.418 0.018 5.521 748 HE1 TYR 96 HE1 TYR 96 12.538 4.053 5.351 749 HE2 TYR 96 HE2 TYR 96 16.392 2.212 4.890 750 HH TYR 96 HH TYR 96 15.433 4.896 5.521 751 H ALA 97 HN ALA 97 10.979 -3.150 5.519 752 HA ALA 97 HA ALA 97 12.842 -5.199 6.554 753 1HB ALA 97 HB1 ALA 97 11.044 -5.248 7.941 754 2HB ALA 97 HB2 ALA 97 10.242 -6.160 6.662 755 3HB ALA 97 HB3 ALA 97 10.023 -4.414 6.769 756 H LEU 98 HN LEU 98 10.286 -4.975 4.028 757 HA LEU 98 HA LEU 98 11.147 -7.611 2.958 758 1HB LEU 98 HB2 LEU 98 8.767 -7.106 3.315 759 2HB LEU 98 HB1 LEU 98 8.895 -5.708 2.248 760 HG LEU 98 HG LEU 98 9.835 -8.276 1.107 761 1HD1 LEU 98 HD11 LEU 98 7.475 -8.935 0.559 762 2HD1 LEU 98 HD12 LEU 98 6.916 -7.714 1.703 763 3HD1 LEU 98 HD13 LEU 98 7.866 -9.087 2.272 764 1HD2 LEU 98 HD21 LEU 98 9.823 -6.361 -0.318 765 2HD2 LEU 98 HD22 LEU 98 8.208 -5.890 0.208 766 3HD2 LEU 98 HD23 LEU 98 8.424 -7.314 -0.807 767 H LYS 99 HN LYS 99 11.578 -7.844 0.646 768 HA LYS 99 HA LYS 99 12.721 -5.367 -0.603 769 1HB LYS 99 HB2 LYS 99 14.195 -7.346 0.300 770 2HB LYS 99 HB1 LYS 99 13.656 -8.173 -1.162 771 1HG LYS 99 HG2 LYS 99 15.020 -6.941 -2.470 772 2HG LYS 99 HG1 LYS 99 14.499 -5.436 -1.711 773 1HD LYS 99 HD2 LYS 99 15.978 -6.097 0.272 774 2HD LYS 99 HD1 LYS 99 16.664 -7.331 -0.786 775 1HE LYS 99 HE2 LYS 99 17.940 -5.795 -1.861 776 2HE LYS 99 HE1 LYS 99 16.542 -4.731 -2.113 777 1HZ LYS 99 HZ1 LYS 99 18.296 -4.930 0.258 778 2HZ LYS 99 HZ2 LYS 99 16.730 -4.283 0.376 779 3HZ LYS 99 HZ3 LYS 99 17.882 -3.549 -0.634 780 H VAL 100 HN VAL 100 12.762 -5.549 -3.055 781 HA VAL 100 HA VAL 100 10.199 -6.012 -4.139 782 HB VAL 100 HB VAL 100 12.489 -4.836 -4.932 783 1HG1 VAL 100 HG11 VAL 100 12.379 -7.036 -6.950 784 2HG1 VAL 100 HG12 VAL 100 13.259 -7.338 -5.453 785 3HG1 VAL 100 HG13 VAL 100 13.729 -5.996 -6.496 786 1HG2 VAL 100 HG21 VAL 100 10.411 -5.898 -6.864 787 2HG2 VAL 100 HG22 VAL 100 11.399 -4.454 -7.066 788 3HG2 VAL 100 HG23 VAL 100 10.167 -4.507 -5.808 789 H GLY 101 HN GLY 101 12.670 -8.311 -3.382 790 1HA GLY 101 HA2 GLY 101 11.865 -10.325 -5.314 791 2HA GLY 101 HA1 GLY 101 12.908 -10.595 -3.918 792 H ASP 102 HN ASP 102 10.615 -9.261 -2.283 793 HA ASP 102 HA ASP 102 9.014 -11.780 -2.031 794 1HB ASP 102 HB2 ASP 102 10.316 -9.886 -0.179 795 2HB ASP 102 HB1 ASP 102 8.693 -10.378 0.304 796 H ILE 103 HN ILE 103 8.851 -8.333 -2.541 797 HA ILE 103 HA ILE 103 7.020 -6.911 -2.984 798 HB ILE 103 HB ILE 103 5.950 -9.681 -3.564 799 1HG1 ILE 103 HG12 ILE 103 6.754 -7.303 -5.265 800 2HG1 ILE 103 HG11 ILE 103 7.638 -8.819 -5.097 801 1HG2 ILE 103 HG21 ILE 103 4.407 -7.311 -3.088 802 2HG2 ILE 103 HG22 ILE 103 3.845 -8.890 -3.634 803 3HG2 ILE 103 HG23 ILE 103 4.348 -7.678 -4.811 804 1HD1 ILE 103 HD11 ILE 103 4.797 -8.661 -6.138 805 2HD1 ILE 103 HD12 ILE 103 5.874 -10.057 -6.176 806 3HD1 ILE 103 HD13 ILE 103 6.214 -8.654 -7.188 807 H SER 104 HN SER 104 5.933 -5.837 -1.406 808 HA SER 104 HA SER 104 5.436 -6.588 1.191 809 1HB SER 104 HB2 SER 104 4.807 -4.419 0.925 810 2HB SER 104 HB1 SER 104 4.333 -4.683 -0.751 811 HG SER 104 HG SER 104 2.833 -5.509 1.516 812 H ASP 105 HN ASP 105 4.515 -8.503 1.836 813 HA ASP 105 HA ASP 105 2.537 -9.956 0.341 814 1HB ASP 105 HB2 ASP 105 3.191 -10.086 3.296 815 2HB ASP 105 HB1 ASP 105 2.543 -11.387 2.297 816 H ILE 106 HN ILE 106 2.216 -8.230 3.457 817 HA ILE 106 HA ILE 106 -0.509 -7.368 2.660 818 HB ILE 106 HB ILE 106 -1.321 -8.315 4.897 819 1HG1 ILE 106 HG12 ILE 106 1.479 -9.399 4.758 820 2HG1 ILE 106 HG11 ILE 106 0.568 -8.839 6.155 821 1HG2 ILE 106 HG21 ILE 106 -1.919 -9.344 2.775 822 2HG2 ILE 106 HG22 ILE 106 -1.530 -10.615 3.931 823 3HG2 ILE 106 HG23 ILE 106 -0.361 -10.164 2.693 824 1HD1 ILE 106 HD11 ILE 106 0.548 -11.513 4.822 825 2HD1 ILE 106 HD12 ILE 106 -0.962 -10.940 5.530 826 3HD1 ILE 106 HD13 ILE 106 0.475 -11.113 6.538 827 H VAL 107 HN VAL 107 -0.173 -5.180 2.938 828 HA VAL 107 HA VAL 107 1.255 -4.199 5.361 829 HB VAL 107 HB VAL 107 0.106 -2.592 3.072 830 1HG1 VAL 107 HG11 VAL 107 1.873 -1.042 3.618 831 2HG1 VAL 107 HG12 VAL 107 2.605 -2.195 4.735 832 3HG1 VAL 107 HG13 VAL 107 1.046 -1.463 5.118 833 1HG2 VAL 107 HG21 VAL 107 2.473 -2.880 2.085 834 2HG2 VAL 107 HG22 VAL 107 1.367 -4.243 1.913 835 3HG2 VAL 107 HG23 VAL 107 2.616 -4.274 3.157 836 H ASP 108 HN ASP 108 0.187 -2.528 6.696 837 HA ASP 108 HA ASP 108 -2.723 -2.152 6.352 838 1HB ASP 108 HB2 ASP 108 -2.972 -3.053 8.785 839 2HB ASP 108 HB1 ASP 108 -2.824 -4.217 7.469 840 H THR 109 HN THR 109 -2.981 -0.007 6.759 841 HA THR 109 HA THR 109 -1.818 1.170 9.221 842 HB THR 109 HB THR 109 -0.770 2.990 7.898 843 HG1 THR 109 HG1 THR 109 -2.034 2.967 6.082 844 1HG2 THR 109 HG21 THR 109 1.132 1.775 7.165 845 2HG2 THR 109 HG22 THR 109 0.168 0.357 6.755 846 3HG2 THR 109 HG23 THR 109 0.434 0.783 8.445 847 H ASP 110 HN ASP 110 -2.452 3.843 8.638 848 HA ASP 110 HA ASP 110 -5.166 4.122 9.185 849 1HB ASP 110 HB2 ASP 110 -4.876 6.401 8.288 850 2HB ASP 110 HB1 ASP 110 -3.425 5.910 9.163 851 H SER 111 HN SER 111 -6.932 4.898 7.628 852 HA SER 111 HA SER 111 -8.199 4.636 5.639 853 1HB SER 111 HB2 SER 111 -5.679 3.677 4.305 854 2HB SER 111 HB1 SER 111 -6.980 4.651 3.630 855 HG SER 111 HG SER 111 -5.789 6.291 4.163 856 H GLY 112 HN GLY 112 -5.672 2.095 5.661 857 1HA GLY 112 HA2 GLY 112 -7.230 -0.064 6.480 858 2HA GLY 112 HA1 GLY 112 -7.521 0.065 4.746 859 H VAL 113 HN VAL 113 -6.322 -1.557 3.836 860 HA VAL 113 HA VAL 113 -3.497 -1.880 4.763 861 HB VAL 113 HB VAL 113 -3.826 -4.145 3.572 862 1HG1 VAL 113 HG11 VAL 113 -4.298 -4.994 5.621 863 2HG1 VAL 113 HG12 VAL 113 -5.826 -4.120 5.726 864 3HG1 VAL 113 HG13 VAL 113 -4.317 -3.314 6.156 865 1HG2 VAL 113 HG21 VAL 113 -6.743 -3.754 4.000 866 2HG2 VAL 113 HG22 VAL 113 -5.903 -4.749 2.810 867 3HG2 VAL 113 HG23 VAL 113 -6.048 -3.009 2.560 868 H HIS 114 HN HIS 114 -1.853 -2.126 3.129 869 HA HIS 114 HA HIS 114 -2.664 -1.223 0.390 870 1HB HIS 114 HB2 HIS 114 -0.239 -0.294 1.947 871 2HB HIS 114 HB1 HIS 114 -0.871 0.395 0.456 872 HD1 HIS 114 HD1 HIS 114 -2.142 2.488 0.862 873 HD2 HIS 114 HD2 HIS 114 -2.457 -0.126 4.094 874 HE1 HIS 114 HE1 HIS 114 -3.544 3.673 2.607 875 H ILE 115 HN ILE 115 -0.685 -1.500 -1.140 876 HA ILE 115 HA ILE 115 0.959 -3.884 -0.390 877 HB ILE 115 HB ILE 115 0.067 -5.140 -2.073 878 1HG1 ILE 115 HG12 ILE 115 0.060 -2.678 -3.846 879 2HG1 ILE 115 HG11 ILE 115 1.353 -3.864 -3.752 880 1HG2 ILE 115 HG21 ILE 115 -2.020 -4.260 -1.174 881 2HG2 ILE 115 HG22 ILE 115 -2.169 -4.466 -2.919 882 3HG2 ILE 115 HG23 ILE 115 -1.919 -2.857 -2.240 883 1HD1 ILE 115 HD11 ILE 115 -0.189 -5.628 -4.508 884 2HD1 ILE 115 HD12 ILE 115 -0.121 -4.313 -5.681 885 3HD1 ILE 115 HD13 ILE 115 -1.500 -4.451 -4.590 886 H ILE 116 HN ILE 116 3.058 -3.216 -0.527 887 HA ILE 116 HA ILE 116 3.689 -0.931 -2.332 888 HB ILE 116 HB ILE 116 5.053 -2.190 0.057 889 1HG1 ILE 116 HG12 ILE 116 4.202 0.625 0.048 890 2HG1 ILE 116 HG11 ILE 116 2.877 -0.528 -0.067 891 1HG2 ILE 116 HG21 ILE 116 6.350 0.109 -0.183 892 2HG2 ILE 116 HG22 ILE 116 5.916 -0.071 -1.883 893 3HG2 ILE 116 HG23 ILE 116 6.881 -1.312 -1.083 894 1HD1 ILE 116 HD11 ILE 116 4.338 -1.722 1.867 895 2HD1 ILE 116 HD12 ILE 116 3.072 -0.545 2.215 896 3HD1 ILE 116 HD13 ILE 116 4.761 -0.039 2.178 897 H LYS 117 HN LYS 117 5.628 -0.949 -3.567 898 HA LYS 117 HA LYS 117 6.724 -3.662 -4.222 899 1HB LYS 117 HB2 LYS 117 5.585 -1.452 -5.889 900 2HB LYS 117 HB1 LYS 117 6.941 -2.360 -6.559 901 1HG LYS 117 HG2 LYS 117 4.495 -3.709 -5.398 902 2HG LYS 117 HG1 LYS 117 4.623 -3.279 -7.105 903 1HD LYS 117 HD2 LYS 117 7.033 -4.534 -6.624 904 2HD LYS 117 HD1 LYS 117 5.913 -5.465 -5.629 905 1HE LYS 117 HE2 LYS 117 5.135 -6.503 -7.481 906 2HE LYS 117 HE1 LYS 117 4.666 -4.934 -8.168 907 1HZ LYS 117 HZ1 LYS 117 6.623 -4.713 -9.267 908 2HZ LYS 117 HZ2 LYS 117 6.568 -6.410 -9.243 909 3HZ LYS 117 HZ3 LYS 117 7.514 -5.572 -8.108 910 H ARG 118 HN ARG 118 8.878 -3.100 -5.673 911 HA ARG 118 HA ARG 118 10.281 -0.747 -4.520 912 1HB ARG 118 HB2 ARG 118 10.453 -2.750 -2.987 913 2HB ARG 118 HB1 ARG 118 11.317 -3.585 -4.277 914 1HG ARG 118 HG2 ARG 118 13.215 -2.327 -4.004 915 2HG ARG 118 HG1 ARG 118 12.312 -0.874 -3.576 916 1HD ARG 118 HD2 ARG 118 11.775 -1.968 -1.351 917 2HD ARG 118 HD1 ARG 118 12.925 -3.248 -1.786 918 HE ARG 118 HE ARG 118 14.367 -0.958 -2.273 919 1HH1 ARG 118 HH21 ARG 118 14.397 -2.935 0.205 920 2HH1 ARG 118 HH22 ARG 118 14.515 -1.770 1.481 921 1HH2 ARG 118 HH11 ARG 118 13.706 0.924 -0.550 922 2HH2 ARG 118 HH12 ARG 118 14.122 0.416 1.053 923 H THR 119 HN THR 119 12.519 -3.010 -5.589 924 HA THR 119 HA THR 119 13.311 -1.524 -7.877 925 HB THR 119 HB THR 119 13.813 -4.472 -7.567 926 HG1 THR 119 HG1 THR 119 14.792 -4.196 -5.717 927 1HG2 THR 119 HG21 THR 119 15.552 -2.069 -8.188 928 2HG2 THR 119 HG22 THR 119 14.960 -3.255 -9.351 929 3HG2 THR 119 HG23 THR 119 16.122 -3.736 -8.114 930 H ALA 120 HN ALA 120 13.425 -4.337 -9.385 931 HA ALA 120 HA ALA 120 12.140 -5.441 -11.036 932 1HB ALA 120 HB1 ALA 120 9.947 -5.758 -10.455 933 2HB ALA 120 HB2 ALA 120 9.649 -4.030 -10.265 934 3HB ALA 120 HB3 ALA 120 10.432 -4.937 -8.971 Start of MODEL 16 1 1H HIS 1 HT1 HIS 1 28.732 14.075 -0.279 2 2H HIS 1 HT2 HIS 1 28.680 12.723 0.749 3 3H HIS 1 HT3 HIS 1 27.375 13.810 0.703 4 HA HIS 1 HA HIS 1 26.846 13.168 -1.556 5 1HB HIS 1 HB2 HIS 1 28.278 11.355 -2.548 6 2HB HIS 1 HB1 HIS 1 29.163 12.852 -2.250 7 HD1 HIS 1 HD1 HIS 1 31.459 11.896 -1.730 8 HD2 HIS 1 HD2 HIS 1 28.450 10.144 0.563 9 HE1 HIS 1 HE1 HIS 1 32.621 10.455 0.000 10 H MET 2 HN MET 2 26.309 10.621 -2.145 11 HA MET 2 HA MET 2 24.832 9.650 0.214 12 1HB MET 2 HB2 MET 2 23.681 8.314 -1.408 13 2HB MET 2 HB1 MET 2 23.999 9.856 -2.203 14 1HG MET 2 HG2 MET 2 26.025 8.880 -3.253 15 2HG MET 2 HG1 MET 2 25.657 7.332 -2.493 16 1HE MET 2 HE1 MET 2 24.319 5.448 -4.344 17 2HE MET 2 HE2 MET 2 22.692 5.942 -3.882 18 3HE MET 2 HE3 MET 2 23.996 6.016 -2.700 19 H ALA 3 HN ALA 3 25.593 8.030 1.518 20 HA ALA 3 HA ALA 3 27.374 5.936 0.423 21 1HB ALA 3 HB1 ALA 3 29.132 6.460 2.076 22 2HB ALA 3 HB2 ALA 3 28.179 7.823 2.661 23 3HB ALA 3 HB3 ALA 3 28.837 7.846 1.025 24 H SER 4 HN SER 4 26.441 4.098 1.234 25 HA SER 4 HA SER 4 25.403 2.618 2.757 26 1HB SER 4 HB2 SER 4 26.839 4.545 4.609 27 2HB SER 4 HB1 SER 4 26.145 3.013 5.129 28 HG SER 4 HG SER 4 28.144 2.427 4.611 29 H ARG 5 HN ARG 5 25.193 5.364 4.964 30 HA ARG 5 HA ARG 5 23.260 6.266 6.016 31 1HB ARG 5 HB2 ARG 5 23.421 6.739 3.182 32 2HB ARG 5 HB1 ARG 5 21.724 6.650 3.654 33 1HG ARG 5 HG2 ARG 5 21.827 8.625 4.745 34 2HG ARG 5 HG1 ARG 5 23.317 8.169 5.572 35 1HD ARG 5 HD2 ARG 5 24.477 8.603 3.282 36 2HD ARG 5 HD1 ARG 5 22.996 9.496 2.880 37 HE ARG 5 HE ARG 5 24.979 10.286 4.890 38 1HH1 ARG 5 HH21 ARG 5 23.687 12.298 3.189 39 2HH1 ARG 5 HH22 ARG 5 22.498 13.000 4.235 40 1HH2 ARG 5 HH11 ARG 5 22.595 10.391 6.522 41 2HH2 ARG 5 HH12 ARG 5 21.878 11.917 6.126 42 H ASP 6 HN ASP 6 20.556 6.154 5.115 43 HA ASP 6 HA ASP 6 19.924 3.237 5.102 44 1HB ASP 6 HB2 ASP 6 19.495 5.278 7.195 45 2HB ASP 6 HB1 ASP 6 18.079 4.292 6.834 46 H GLN 7 HN GLN 7 17.562 5.726 5.785 47 HA GLN 7 HA GLN 7 15.662 6.414 4.565 48 1HB GLN 7 HB2 GLN 7 17.834 7.290 3.338 49 2HB GLN 7 HB1 GLN 7 17.340 6.143 2.091 50 1HG GLN 7 HG2 GLN 7 15.107 7.192 2.008 51 2HG GLN 7 HG1 GLN 7 15.604 8.347 3.245 52 1HE2 GLN 7 HE21 GLN 7 16.689 10.216 2.536 53 2HE2 GLN 7 HE22 GLN 7 17.237 10.457 0.947 54 H VAL 8 HN VAL 8 14.115 5.687 2.801 55 HA VAL 8 HA VAL 8 14.580 2.954 1.757 56 HB VAL 8 HB VAL 8 13.783 2.358 3.892 57 1HG1 VAL 8 HG11 VAL 8 13.237 4.519 4.783 58 2HG1 VAL 8 HG12 VAL 8 11.771 3.544 4.900 59 3HG1 VAL 8 HG13 VAL 8 11.935 4.739 3.614 60 1HG2 VAL 8 HG21 VAL 8 11.725 1.313 3.476 61 2HG2 VAL 8 HG22 VAL 8 12.339 1.585 1.846 62 3HG2 VAL 8 HG23 VAL 8 11.121 2.667 2.521 63 H LYS 9 HN LYS 9 14.194 3.709 -0.378 64 HA LYS 9 HA LYS 9 11.895 5.373 -1.063 65 1HB LYS 9 HB2 LYS 9 13.825 3.651 -2.651 66 2HB LYS 9 HB1 LYS 9 12.597 4.680 -3.382 67 1HG LYS 9 HG2 LYS 9 13.767 6.450 -1.702 68 2HG LYS 9 HG1 LYS 9 15.147 5.431 -2.105 69 1HD LYS 9 HD2 LYS 9 14.706 5.736 -4.499 70 2HD LYS 9 HD1 LYS 9 13.283 6.709 -4.129 71 1HE LYS 9 HE2 LYS 9 14.820 8.420 -4.407 72 2HE LYS 9 HE1 LYS 9 15.120 8.075 -2.694 73 1HZ LYS 9 HZ1 LYS 9 16.910 6.685 -3.204 74 2HZ LYS 9 HZ2 LYS 9 17.128 8.025 -4.226 75 3HZ LYS 9 HZ3 LYS 9 16.489 6.576 -4.843 76 H ALA 10 HN ALA 10 10.138 4.478 -2.580 77 HA ALA 10 HA ALA 10 9.666 1.719 -3.013 78 1HB ALA 10 HB1 ALA 10 9.067 2.728 -0.268 79 2HB ALA 10 HB2 ALA 10 9.648 1.142 -0.777 80 3HB ALA 10 HB3 ALA 10 7.946 1.563 -0.972 81 H SER 11 HN SER 11 7.388 1.178 -3.442 82 HA SER 11 HA SER 11 5.692 3.574 -4.050 83 1HB SER 11 HB2 SER 11 5.060 2.424 -6.092 84 2HB SER 11 HB1 SER 11 6.817 2.358 -5.991 85 HG SER 11 HG SER 11 6.727 0.266 -5.536 86 H HIS 12 HN HIS 12 3.235 2.592 -4.393 87 HA HIS 12 HA HIS 12 2.643 0.191 -2.898 88 1HB HIS 12 HB2 HIS 12 2.154 1.037 -0.762 89 2HB HIS 12 HB1 HIS 12 3.602 1.929 -1.216 90 HD1 HIS 12 HD1 HIS 12 0.827 2.713 0.552 91 HD2 HIS 12 HD2 HIS 12 2.260 4.317 -3.019 92 HE1 HIS 12 HE1 HIS 12 -0.211 5.013 0.332 93 H ILE 13 HN ILE 13 0.304 0.126 -2.157 94 HA ILE 13 HA ILE 13 -1.554 1.907 -3.644 95 HB ILE 13 HB ILE 13 -1.191 -1.086 -3.992 96 1HG1 ILE 13 HG12 ILE 13 -1.165 1.337 -5.801 97 2HG1 ILE 13 HG11 ILE 13 0.084 0.110 -5.597 98 1HG2 ILE 13 HG21 ILE 13 -3.570 0.633 -4.748 99 2HG2 ILE 13 HG22 ILE 13 -3.571 -0.709 -3.604 100 3HG2 ILE 13 HG23 ILE 13 -3.311 -1.013 -5.321 101 1HD1 ILE 13 HD11 ILE 13 -2.630 -0.282 -6.901 102 2HD1 ILE 13 HD12 ILE 13 -1.480 -1.580 -6.590 103 3HD1 ILE 13 HD13 ILE 13 -1.065 -0.286 -7.714 104 H LEU 14 HN LEU 14 -3.918 1.169 -2.936 105 HA LEU 14 HA LEU 14 -3.911 -0.016 -0.197 106 1HB LEU 14 HB2 LEU 14 -3.735 2.339 0.200 107 2HB LEU 14 HB1 LEU 14 -4.900 2.710 -1.070 108 HG LEU 14 HG LEU 14 -6.318 1.013 0.616 109 1HD1 LEU 14 HD11 LEU 14 -4.313 1.390 2.199 110 2HD1 LEU 14 HD12 LEU 14 -5.930 1.646 2.853 111 3HD1 LEU 14 HD13 LEU 14 -4.942 3.028 2.383 112 1HD2 LEU 14 HD21 LEU 14 -6.556 3.877 1.262 113 2HD2 LEU 14 HD22 LEU 14 -7.758 2.773 0.592 114 3HD2 LEU 14 HD23 LEU 14 -6.575 3.538 -0.469 115 H ILE 15 HN ILE 15 -5.559 -1.493 -0.063 116 HA ILE 15 HA ILE 15 -7.602 -1.578 -2.194 117 HB ILE 15 HB ILE 15 -7.072 -3.342 0.223 118 1HG1 ILE 15 HG12 ILE 15 -6.186 -3.538 -2.674 119 2HG1 ILE 15 HG11 ILE 15 -5.144 -3.308 -1.270 120 1HG2 ILE 15 HG21 ILE 15 -9.088 -4.201 -0.361 121 2HG2 ILE 15 HG22 ILE 15 -8.251 -4.861 -1.766 122 3HG2 ILE 15 HG23 ILE 15 -9.110 -3.326 -1.892 123 1HD1 ILE 15 HD11 ILE 15 -5.412 -5.715 -2.246 124 2HD1 ILE 15 HD12 ILE 15 -6.972 -5.696 -1.423 125 3HD1 ILE 15 HD13 ILE 15 -5.484 -5.498 -0.498 126 H LYS 16 HN LYS 16 -8.765 -2.742 0.805 127 HA LYS 16 HA LYS 16 -9.868 -0.346 1.939 128 1HB LYS 16 HB2 LYS 16 -12.057 -0.351 0.966 129 2HB LYS 16 HB1 LYS 16 -10.937 -0.503 -0.386 130 1HG LYS 16 HG2 LYS 16 -11.247 -3.099 0.094 131 2HG LYS 16 HG1 LYS 16 -12.771 -2.551 0.792 132 1HD LYS 16 HD2 LYS 16 -13.568 -1.734 -1.241 133 2HD LYS 16 HD1 LYS 16 -11.948 -1.543 -1.913 134 1HE LYS 16 HE2 LYS 16 -11.962 -4.230 -1.517 135 2HE LYS 16 HE1 LYS 16 -13.683 -3.953 -1.845 136 1HZ LYS 16 HZ1 LYS 16 -11.520 -3.860 -3.658 137 2HZ LYS 16 HZ2 LYS 16 -12.246 -2.325 -3.585 138 3HZ LYS 16 HZ3 LYS 16 -13.175 -3.691 -3.977 139 H HIS 17 HN HIS 17 -11.223 -0.849 3.769 140 HA HIS 17 HA HIS 17 -12.296 -3.457 4.305 141 1HB HIS 17 HB2 HIS 17 -10.589 -4.327 5.780 142 2HB HIS 17 HB1 HIS 17 -9.799 -3.875 4.270 143 HD1 HIS 17 HD1 HIS 17 -10.263 -0.699 5.377 144 HD2 HIS 17 HD2 HIS 17 -7.923 -3.779 6.928 145 HE1 HIS 17 HE1 HIS 17 -8.461 0.404 6.775 146 H GLN 18 HN GLN 18 -11.400 -3.224 7.209 147 HA GLN 18 HA GLN 18 -13.361 -1.103 7.962 148 1HB GLN 18 HB2 GLN 18 -12.170 -3.446 9.482 149 2HB GLN 18 HB1 GLN 18 -13.463 -2.400 10.069 150 1HG GLN 18 HG2 GLN 18 -14.895 -3.088 8.191 151 2HG GLN 18 HG1 GLN 18 -13.601 -4.111 7.570 152 1HE2 GLN 18 HE21 GLN 18 -12.650 -5.460 9.752 153 2HE2 GLN 18 HE22 GLN 18 -13.883 -6.337 10.522 154 H GLY 19 HN GLY 19 -11.379 0.416 7.447 155 1HA GLY 19 HA2 GLY 19 -9.592 0.560 9.840 156 2HA GLY 19 HA1 GLY 19 -9.192 1.240 8.262 157 H SER 20 HN SER 20 -9.209 3.434 8.453 158 HA SER 20 HA SER 20 -11.520 4.682 9.912 159 1HB SER 20 HB2 SER 20 -8.588 5.423 9.735 160 2HB SER 20 HB1 SER 20 -9.812 6.510 10.385 161 HG SER 20 HG SER 20 -9.540 3.853 11.302 162 H ARG 21 HN ARG 21 -11.305 7.256 9.158 163 HA ARG 21 HA ARG 21 -11.628 8.772 7.372 164 1HB ARG 21 HB2 ARG 21 -9.394 7.235 6.836 165 2HB ARG 21 HB1 ARG 21 -10.361 7.018 5.377 166 1HG ARG 21 HG2 ARG 21 -10.629 9.536 5.298 167 2HG ARG 21 HG1 ARG 21 -9.436 9.633 6.592 168 1HD ARG 21 HD2 ARG 21 -7.688 8.952 5.221 169 2HD ARG 21 HD1 ARG 21 -8.755 8.017 4.155 170 HE ARG 21 HE ARG 21 -9.684 10.315 3.445 171 1HH1 ARG 21 HH11 ARG 21 -6.433 9.418 3.853 172 2HH1 ARG 21 HH12 ARG 21 -5.789 10.963 3.409 173 1HH2 ARG 21 HH21 ARG 21 -8.888 12.504 3.229 174 2HH2 ARG 21 HH22 ARG 21 -7.177 12.709 3.056 175 H ARG 22 HN ARG 22 -12.330 8.489 4.782 176 HA ARG 22 HA ARG 22 -14.530 6.448 4.758 177 1HB ARG 22 HB2 ARG 22 -14.504 9.404 4.451 178 2HB ARG 22 HB1 ARG 22 -15.543 8.526 3.327 179 1HG ARG 22 HG2 ARG 22 -16.784 7.521 5.098 180 2HG ARG 22 HG1 ARG 22 -15.592 8.007 6.304 181 1HD ARG 22 HD2 ARG 22 -16.230 10.448 5.325 182 2HD ARG 22 HD1 ARG 22 -17.770 9.606 5.055 183 HE ARG 22 HE ARG 22 -16.821 10.397 7.615 184 1HH1 ARG 22 HH11 ARG 22 -19.556 9.213 6.884 185 2HH1 ARG 22 HH12 ARG 22 -19.574 7.798 7.882 186 1HH2 ARG 22 HH21 ARG 22 -16.164 7.875 8.514 187 2HH2 ARG 22 HH22 ARG 22 -17.654 7.041 8.807 188 H LYS 23 HN LYS 23 -14.580 5.245 2.888 189 HA LYS 23 HA LYS 23 -12.660 5.954 0.727 190 1HB LYS 23 HB2 LYS 23 -12.868 3.624 0.147 191 2HB LYS 23 HB1 LYS 23 -12.775 3.699 1.907 192 1HG LYS 23 HG2 LYS 23 -15.237 3.581 2.045 193 2HG LYS 23 HG1 LYS 23 -15.329 3.498 0.285 194 1HD LYS 23 HD2 LYS 23 -13.693 1.464 0.571 195 2HD LYS 23 HD1 LYS 23 -14.313 1.441 2.222 196 1HE LYS 23 HE2 LYS 23 -16.590 1.164 1.440 197 2HE LYS 23 HE1 LYS 23 -16.086 1.406 -0.245 198 1HZ LYS 23 HZ1 LYS 23 -16.270 -0.978 0.456 199 2HZ LYS 23 HZ2 LYS 23 -14.962 -0.710 1.507 200 3HZ LYS 23 HZ3 LYS 23 -14.756 -0.539 -0.171 201 H ALA 24 HN ALA 24 -13.648 5.061 -1.531 202 HA ALA 24 HA ALA 24 -15.171 5.543 -3.273 203 1HB ALA 24 HB1 ALA 24 -17.632 5.460 -2.223 204 2HB ALA 24 HB2 ALA 24 -16.746 4.829 -0.834 205 3HB ALA 24 HB3 ALA 24 -16.655 4.001 -2.389 206 H SER 25 HN SER 25 -14.094 7.790 -1.508 207 HA SER 25 HA SER 25 -16.084 9.783 -1.070 208 1HB SER 25 HB2 SER 25 -13.576 9.594 -0.401 209 2HB SER 25 HB1 SER 25 -13.255 10.325 -1.969 210 HG SER 25 HG SER 25 -15.239 11.596 -0.589 211 H TRP 26 HN TRP 26 -14.544 11.808 -2.789 212 HA TRP 26 HA TRP 26 -14.814 12.821 -4.907 213 1HB TRP 26 HB2 TRP 26 -14.580 9.928 -5.253 214 2HB TRP 26 HB1 TRP 26 -15.498 10.677 -6.560 215 HD1 TRP 26 HD1 TRP 26 -12.144 9.744 -5.913 216 HE1 TRP 26 HE1 TRP 26 -10.436 11.244 -7.129 217 HE3 TRP 26 HE3 TRP 26 -15.142 13.697 -7.116 218 HZ2 TRP 26 HZ2 TRP 26 -10.353 13.786 -8.440 219 HZ3 TRP 26 HZ3 TRP 26 -14.226 15.643 -8.346 220 HH2 TRP 26 HH2 TRP 26 -11.838 15.693 -9.010 221 H LYS 27 HN LYS 27 -16.982 13.316 -3.466 222 HA LYS 27 HA LYS 27 -19.326 13.655 -3.517 223 1HB LYS 27 HB2 LYS 27 -18.909 13.237 -6.487 224 2HB LYS 27 HB1 LYS 27 -20.065 14.313 -5.700 225 1HG LYS 27 HG2 LYS 27 -18.148 15.615 -4.762 226 2HG LYS 27 HG1 LYS 27 -17.046 14.592 -5.684 227 1HD LYS 27 HD2 LYS 27 -18.612 15.284 -7.706 228 2HD LYS 27 HD1 LYS 27 -18.979 16.660 -6.665 229 1HE LYS 27 HE2 LYS 27 -16.294 16.668 -6.418 230 2HE LYS 27 HE1 LYS 27 -16.429 15.965 -8.043 231 1HZ LYS 27 HZ1 LYS 27 -18.038 17.758 -8.571 232 2HZ LYS 27 HZ2 LYS 27 -16.471 18.335 -8.256 233 3HZ LYS 27 HZ3 LYS 27 -17.685 18.479 -7.077 234 H ASP 28 HN ASP 28 -19.287 11.299 -2.564 235 HA ASP 28 HA ASP 28 -20.980 9.575 -4.336 236 1HB ASP 28 HB2 ASP 28 -18.314 9.146 -3.307 237 2HB ASP 28 HB1 ASP 28 -19.409 7.930 -2.648 238 HA PRO 29 HA PRO 29 -23.526 9.397 -0.745 239 1HB PRO 29 HB2 PRO 29 -24.944 7.133 -1.326 240 2HB PRO 29 HB1 PRO 29 -25.208 8.677 -2.160 241 1HG PRO 29 HG2 PRO 29 -23.720 6.269 -3.064 242 2HG PRO 29 HG1 PRO 29 -24.726 7.391 -3.992 243 1HD PRO 29 HD2 PRO 29 -21.980 7.427 -3.977 244 2HD PRO 29 HD1 PRO 29 -22.997 8.833 -4.357 245 H GLU 30 HN GLU 30 -24.305 7.468 0.847 246 HA GLU 30 HA GLU 30 -22.142 5.472 1.269 247 1HB GLU 30 HB2 GLU 30 -21.988 7.932 2.434 248 2HB GLU 30 HB1 GLU 30 -22.919 7.060 3.653 249 1HG GLU 30 HG2 GLU 30 -20.916 6.306 4.395 250 2HG GLU 30 HG1 GLU 30 -20.949 5.240 2.990 251 H GLY 31 HN GLY 31 -22.849 3.716 2.633 252 1HA GLY 31 HA2 GLY 31 -25.807 3.675 3.071 253 2HA GLY 31 HA1 GLY 31 -24.826 2.239 2.774 254 H LYS 32 HN LYS 32 -22.820 3.788 4.687 255 HA LYS 32 HA LYS 32 -22.247 3.536 6.967 256 1HB LYS 32 HB2 LYS 32 -24.488 5.013 6.707 257 2HB LYS 32 HB1 LYS 32 -25.138 3.689 7.673 258 1HG LYS 32 HG2 LYS 32 -22.805 4.160 8.993 259 2HG LYS 32 HG1 LYS 32 -23.183 5.784 8.419 260 1HD LYS 32 HD2 LYS 32 -25.177 4.025 9.869 261 2HD LYS 32 HD1 LYS 32 -24.166 5.221 10.680 262 1HE LYS 32 HE2 LYS 32 -25.600 6.867 10.086 263 2HE LYS 32 HE1 LYS 32 -25.424 6.431 8.375 264 1HZ LYS 32 HZ1 LYS 32 -26.867 4.396 9.151 265 2HZ LYS 32 HZ2 LYS 32 -27.596 5.860 8.690 266 3HZ LYS 32 HZ3 LYS 32 -27.389 5.492 10.335 267 H ILE 33 HN ILE 33 -24.464 2.396 8.828 268 HA ILE 33 HA ILE 33 -24.905 0.265 9.752 269 HB ILE 33 HB ILE 33 -25.019 -0.271 6.765 270 1HG1 ILE 33 HG12 ILE 33 -27.357 0.106 8.625 271 2HG1 ILE 33 HG11 ILE 33 -26.528 1.508 7.947 272 1HG2 ILE 33 HG21 ILE 33 -26.777 -1.918 8.331 273 2HG2 ILE 33 HG22 ILE 33 -25.133 -2.096 8.946 274 3HG2 ILE 33 HG23 ILE 33 -25.479 -2.421 7.247 275 1HD1 ILE 33 HD11 ILE 33 -27.927 1.224 6.181 276 2HD1 ILE 33 HD12 ILE 33 -28.304 -0.440 6.629 277 3HD1 ILE 33 HD13 ILE 33 -26.830 -0.080 5.729 278 H ILE 34 HN ILE 34 -23.447 -1.236 6.947 279 HA ILE 34 HA ILE 34 -21.074 -1.978 8.626 280 HB ILE 34 HB ILE 34 -21.172 -4.115 7.299 281 1HG1 ILE 34 HG12 ILE 34 -23.955 -3.587 6.468 282 2HG1 ILE 34 HG11 ILE 34 -22.744 -2.656 5.587 283 1HG2 ILE 34 HG21 ILE 34 -22.197 -4.072 9.496 284 2HG2 ILE 34 HG22 ILE 34 -23.266 -4.957 8.409 285 3HG2 ILE 34 HG23 ILE 34 -23.643 -3.293 8.853 286 1HD1 ILE 34 HD11 ILE 34 -22.300 -4.483 4.353 287 2HD1 ILE 34 HD12 ILE 34 -23.401 -5.451 5.332 288 3HD1 ILE 34 HD13 ILE 34 -21.712 -5.281 5.812 289 H LEU 35 HN LEU 35 -19.414 -3.037 6.769 290 HA LEU 35 HA LEU 35 -19.131 -0.879 4.699 291 1HB LEU 35 HB2 LEU 35 -17.394 -1.888 6.816 292 2HB LEU 35 HB1 LEU 35 -16.606 -1.958 5.238 293 HG LEU 35 HG LEU 35 -17.617 0.481 4.990 294 1HD1 LEU 35 HD11 LEU 35 -18.431 1.421 6.869 295 2HD1 LEU 35 HD12 LEU 35 -17.001 0.944 7.784 296 3HD1 LEU 35 HD13 LEU 35 -18.358 -0.171 7.625 297 1HD2 LEU 35 HD21 LEU 35 -15.383 0.779 4.923 298 2HD2 LEU 35 HD22 LEU 35 -15.116 -0.628 5.952 299 3HD2 LEU 35 HD23 LEU 35 -15.411 0.953 6.678 300 H THR 36 HN THR 36 -17.194 -3.812 5.145 301 HA THR 36 HA THR 36 -18.416 -5.563 3.313 302 HB THR 36 HB THR 36 -18.351 -4.022 1.557 303 HG1 THR 36 HG1 THR 36 -17.196 -5.204 0.294 304 1HG2 THR 36 HG21 THR 36 -15.929 -3.003 2.974 305 2HG2 THR 36 HG22 THR 36 -17.294 -2.113 2.300 306 3HG2 THR 36 HG23 THR 36 -16.031 -2.729 1.234 307 H THR 37 HN THR 37 -15.143 -4.691 2.463 308 HA THR 37 HA THR 37 -14.082 -7.251 3.192 309 HB THR 37 HB THR 37 -12.967 -4.552 2.434 310 HG1 THR 37 HG1 THR 37 -13.450 -5.457 0.610 311 1HG2 THR 37 HG21 THR 37 -11.524 -6.950 3.473 312 2HG2 THR 37 HG22 THR 37 -11.122 -5.241 3.639 313 3HG2 THR 37 HG23 THR 37 -10.805 -6.079 2.120 314 H THR 38 HN THR 38 -13.323 -7.956 5.144 315 HA THR 38 HA THR 38 -13.051 -5.963 7.364 316 HB THR 38 HB THR 38 -13.677 -7.759 8.795 317 HG1 THR 38 HG1 THR 38 -13.662 -9.919 8.007 318 1HG2 THR 38 HG21 THR 38 -15.555 -7.002 7.403 319 2HG2 THR 38 HG22 THR 38 -15.697 -8.727 7.739 320 3HG2 THR 38 HG23 THR 38 -15.124 -8.180 6.163 321 H ARG 39 HN ARG 39 -11.341 -6.902 9.068 322 HA ARG 39 HA ARG 39 -8.753 -6.656 8.122 323 1HB ARG 39 HB2 ARG 39 -9.635 -6.891 10.507 324 2HB ARG 39 HB1 ARG 39 -9.581 -8.636 10.257 325 1HG ARG 39 HG2 ARG 39 -7.274 -8.701 10.210 326 2HG ARG 39 HG1 ARG 39 -7.136 -7.062 9.574 327 1HD ARG 39 HD2 ARG 39 -6.410 -6.817 11.810 328 2HD ARG 39 HD1 ARG 39 -8.123 -6.364 11.915 329 HE ARG 39 HE ARG 39 -7.746 -9.226 12.213 330 1HH1 ARG 39 HH21 ARG 39 -6.322 -6.847 14.019 331 2HH1 ARG 39 HH22 ARG 39 -7.164 -7.184 15.494 332 1HH2 ARG 39 HH11 ARG 39 -9.401 -9.389 14.021 333 2HH2 ARG 39 HH12 ARG 39 -8.908 -8.626 15.496 334 H GLU 40 HN GLU 40 -10.231 -9.844 8.791 335 HA GLU 40 HA GLU 40 -8.293 -11.452 7.522 336 1HB GLU 40 HB2 GLU 40 -10.171 -12.221 8.954 337 2HB GLU 40 HB1 GLU 40 -11.307 -11.807 7.672 338 1HG GLU 40 HG2 GLU 40 -10.861 -13.704 6.527 339 2HG GLU 40 HG1 GLU 40 -9.120 -13.494 6.715 340 H ALA 41 HN ALA 41 -11.469 -10.615 6.102 341 HA ALA 41 HA ALA 41 -11.091 -11.392 3.480 342 1HB ALA 41 HB1 ALA 41 -12.284 -8.735 3.657 343 2HB ALA 41 HB2 ALA 41 -12.841 -9.787 4.958 344 3HB ALA 41 HB3 ALA 41 -13.055 -10.276 3.277 345 H ALA 42 HN ALA 42 -10.180 -8.200 4.802 346 HA ALA 42 HA ALA 42 -9.017 -7.010 2.565 347 1HB ALA 42 HB1 ALA 42 -7.312 -6.435 4.710 348 2HB ALA 42 HB2 ALA 42 -8.841 -6.870 5.473 349 3HB ALA 42 HB3 ALA 42 -8.786 -5.559 4.294 350 H VAL 43 HN VAL 43 -7.024 -8.666 5.021 351 HA VAL 43 HA VAL 43 -4.665 -8.954 3.579 352 HB VAL 43 HB VAL 43 -5.979 -11.014 5.381 353 1HG1 VAL 43 HG11 VAL 43 -3.212 -10.845 5.838 354 2HG1 VAL 43 HG12 VAL 43 -3.396 -10.849 4.084 355 3HG1 VAL 43 HG13 VAL 43 -4.075 -12.163 5.045 356 1HG2 VAL 43 HG21 VAL 43 -4.630 -8.386 5.893 357 2HG2 VAL 43 HG22 VAL 43 -4.405 -9.693 7.056 358 3HG2 VAL 43 HG23 VAL 43 -6.027 -9.099 6.700 359 H GLU 44 HN GLU 44 -7.629 -10.863 3.308 360 HA GLU 44 HA GLU 44 -6.598 -12.930 1.596 361 1HB GLU 44 HB2 GLU 44 -8.818 -12.689 2.949 362 2HB GLU 44 HB1 GLU 44 -9.406 -11.832 1.524 363 1HG GLU 44 HG2 GLU 44 -9.104 -13.732 0.123 364 2HG GLU 44 HG1 GLU 44 -8.117 -14.559 1.330 365 H GLN 45 HN GLN 45 -8.456 -9.972 0.849 366 HA GLN 45 HA GLN 45 -8.297 -10.143 -1.991 367 1HB GLN 45 HB2 GLN 45 -9.362 -8.473 -0.037 368 2HB GLN 45 HB1 GLN 45 -8.181 -7.442 -0.843 369 1HG GLN 45 HG2 GLN 45 -10.108 -9.111 -2.450 370 2HG GLN 45 HG1 GLN 45 -10.592 -7.541 -1.811 371 1HE2 GLN 45 HE21 GLN 45 -10.641 -7.386 -4.435 372 2HE2 GLN 45 HE22 GLN 45 -9.238 -6.704 -5.105 373 H LEU 46 HN LEU 46 -6.023 -9.023 0.441 374 HA LEU 46 HA LEU 46 -4.196 -7.804 -1.508 375 1HB LEU 46 HB2 LEU 46 -4.709 -7.280 1.033 376 2HB LEU 46 HB1 LEU 46 -3.502 -8.533 1.321 377 HG LEU 46 HG LEU 46 -2.778 -6.499 -0.711 378 1HD1 LEU 46 HD11 LEU 46 -1.965 -5.213 1.559 379 2HD1 LEU 46 HD12 LEU 46 -3.545 -5.813 2.061 380 3HD1 LEU 46 HD13 LEU 46 -3.406 -4.775 0.643 381 1HD2 LEU 46 HD21 LEU 46 -0.600 -6.719 0.461 382 2HD2 LEU 46 HD22 LEU 46 -1.245 -8.293 -0.007 383 3HD2 LEU 46 HD23 LEU 46 -1.369 -7.751 1.666 384 H LYS 47 HN LYS 47 -4.422 -10.798 0.386 385 HA LYS 47 HA LYS 47 -1.882 -11.919 -0.080 386 1HB LYS 47 HB2 LYS 47 -4.361 -12.687 0.949 387 2HB LYS 47 HB1 LYS 47 -4.093 -13.812 -0.383 388 1HG LYS 47 HG2 LYS 47 -2.064 -14.604 0.538 389 2HG LYS 47 HG1 LYS 47 -1.924 -13.228 1.632 390 1HD LYS 47 HD2 LYS 47 -4.404 -14.774 1.979 391 2HD LYS 47 HD1 LYS 47 -2.938 -15.688 2.335 392 1HE LYS 47 HE2 LYS 47 -3.242 -12.900 3.438 393 2HE LYS 47 HE1 LYS 47 -4.029 -14.266 4.256 394 1HZ LYS 47 HZ1 LYS 47 -1.702 -13.857 4.996 395 2HZ LYS 47 HZ2 LYS 47 -1.176 -14.252 3.430 396 3HZ LYS 47 HZ3 LYS 47 -1.963 -15.418 4.384 397 H SER 48 HN SER 48 -4.628 -11.563 -2.245 398 HA SER 48 HA SER 48 -3.438 -13.252 -4.345 399 1HB SER 48 HB2 SER 48 -5.805 -13.305 -4.184 400 2HB SER 48 HB1 SER 48 -5.913 -11.558 -3.991 401 HG SER 48 HG SER 48 -4.990 -12.895 -6.323 402 H ILE 49 HN ILE 49 -3.936 -9.796 -3.674 403 HA ILE 49 HA ILE 49 -3.029 -8.780 -6.179 404 HB ILE 49 HB ILE 49 -4.089 -7.765 -3.897 405 1HG1 ILE 49 HG12 ILE 49 -4.108 -6.721 -6.132 406 2HG1 ILE 49 HG11 ILE 49 -3.704 -5.541 -4.884 407 1HG2 ILE 49 HG21 ILE 49 -2.360 -6.144 -2.991 408 2HG2 ILE 49 HG22 ILE 49 -1.134 -7.098 -3.821 409 3HG2 ILE 49 HG23 ILE 49 -2.103 -7.828 -2.543 410 1HD1 ILE 49 HD11 ILE 49 -1.857 -6.879 -6.860 411 2HD1 ILE 49 HD12 ILE 49 -1.243 -6.112 -5.395 412 3HD1 ILE 49 HD13 ILE 49 -2.112 -5.154 -6.594 413 H ARG 50 HN ARG 50 -1.241 -9.376 -3.151 414 HA ARG 50 HA ARG 50 1.355 -8.681 -4.147 415 1HB ARG 50 HB2 ARG 50 1.038 -8.894 -1.797 416 2HB ARG 50 HB1 ARG 50 0.260 -10.468 -1.965 417 1HG ARG 50 HG2 ARG 50 2.937 -10.487 -3.101 418 2HG ARG 50 HG1 ARG 50 2.961 -10.008 -1.404 419 1HD ARG 50 HD2 ARG 50 1.165 -12.109 -1.380 420 2HD ARG 50 HD1 ARG 50 2.364 -12.636 -2.579 421 HE ARG 50 HE ARG 50 3.031 -11.814 0.218 422 1HH1 ARG 50 HH11 ARG 50 3.131 -14.551 -1.460 423 2HH1 ARG 50 HH12 ARG 50 4.850 -14.760 -1.490 424 1HH2 ARG 50 HH21 ARG 50 5.525 -11.543 -0.388 425 2HH2 ARG 50 HH22 ARG 50 6.207 -13.056 -0.883 426 H GLU 51 HN GLU 51 -0.535 -11.665 -4.135 427 HA GLU 51 HA GLU 51 1.430 -13.456 -5.215 428 1HB GLU 51 HB2 GLU 51 -0.511 -14.389 -4.258 429 2HB GLU 51 HB1 GLU 51 -1.571 -13.229 -5.032 430 1HG GLU 51 HG2 GLU 51 -1.555 -15.675 -5.920 431 2HG GLU 51 HG1 GLU 51 -1.516 -14.356 -7.088 432 H ASP 52 HN ASP 52 -1.302 -11.812 -6.796 433 HA ASP 52 HA ASP 52 -0.625 -12.423 -9.479 434 1HB ASP 52 HB2 ASP 52 -2.585 -11.042 -8.178 435 2HB ASP 52 HB1 ASP 52 -1.677 -9.703 -8.881 436 H ILE 53 HN ILE 53 0.308 -9.595 -7.495 437 HA ILE 53 HA ILE 53 2.037 -8.392 -9.447 438 HB ILE 53 HB ILE 53 1.845 -8.354 -6.422 439 1HG1 ILE 53 HG12 ILE 53 1.103 -6.408 -8.630 440 2HG1 ILE 53 HG11 ILE 53 -0.007 -7.292 -7.583 441 1HG2 ILE 53 HG21 ILE 53 4.191 -7.900 -7.197 442 2HG2 ILE 53 HG22 ILE 53 3.435 -6.515 -6.410 443 3HG2 ILE 53 HG23 ILE 53 3.566 -6.568 -8.168 444 1HD1 ILE 53 HD11 ILE 53 0.302 -4.943 -6.834 445 2HD1 ILE 53 HD12 ILE 53 2.026 -5.255 -6.627 446 3HD1 ILE 53 HD13 ILE 53 0.850 -6.101 -5.621 447 H VAL 54 HN VAL 54 2.357 -11.046 -7.212 448 HA VAL 54 HA VAL 54 5.238 -11.234 -7.230 449 HB VAL 54 HB VAL 54 2.870 -12.689 -6.256 450 1HG1 VAL 54 HG11 VAL 54 4.145 -14.819 -5.881 451 2HG1 VAL 54 HG12 VAL 54 5.371 -14.224 -7.000 452 3HG1 VAL 54 HG13 VAL 54 3.731 -14.532 -7.571 453 1HG2 VAL 54 HG21 VAL 54 5.659 -12.650 -5.127 454 2HG2 VAL 54 HG22 VAL 54 4.130 -12.811 -4.263 455 3HG2 VAL 54 HG23 VAL 54 4.577 -11.265 -4.985 456 H SER 55 HN SER 55 2.761 -13.279 -8.827 457 HA SER 55 HA SER 55 4.808 -14.095 -10.833 458 1HB SER 55 HB2 SER 55 2.170 -15.265 -11.115 459 2HB SER 55 HB1 SER 55 3.698 -16.057 -10.745 460 HG SER 55 HG SER 55 1.788 -14.923 -9.011 461 H GLY 56 HN GLY 56 4.604 -13.542 -13.010 462 1HA GLY 56 HA2 GLY 56 3.597 -12.686 -14.966 463 2HA GLY 56 HA1 GLY 56 2.128 -12.378 -14.036 464 H LYS 57 HN LYS 57 4.880 -10.944 -15.397 465 HA LYS 57 HA LYS 57 5.226 -8.695 -13.627 466 1HB LYS 57 HB2 LYS 57 6.774 -9.613 -15.428 467 2HB LYS 57 HB1 LYS 57 5.702 -8.872 -16.615 468 1HG LYS 57 HG2 LYS 57 6.944 -7.000 -16.354 469 2HG LYS 57 HG1 LYS 57 6.146 -6.827 -14.790 470 1HD LYS 57 HD2 LYS 57 8.003 -7.441 -13.641 471 2HD LYS 57 HD1 LYS 57 8.392 -8.729 -14.781 472 1HE LYS 57 HE2 LYS 57 8.778 -5.823 -15.526 473 2HE LYS 57 HE1 LYS 57 10.042 -6.742 -14.684 474 1HZ LYS 57 HZ1 LYS 57 9.396 -8.519 -16.490 475 2HZ LYS 57 HZ2 LYS 57 10.533 -7.302 -16.825 476 3HZ LYS 57 HZ3 LYS 57 8.930 -7.144 -17.365 477 H ALA 58 HN ALA 58 2.524 -8.874 -13.728 478 HA ALA 58 HA ALA 58 1.124 -7.569 -15.814 479 1HB ALA 58 HB1 ALA 58 0.271 -8.918 -13.868 480 2HB ALA 58 HB2 ALA 58 -0.610 -7.412 -14.126 481 3HB ALA 58 HB3 ALA 58 0.585 -7.525 -12.833 482 H ASN 59 HN ASN 59 -0.215 -5.437 -14.517 483 HA ASN 59 HA ASN 59 1.829 -3.304 -14.750 484 1HB ASN 59 HB2 ASN 59 -1.188 -3.181 -14.467 485 2HB ASN 59 HB1 ASN 59 -0.128 -1.904 -15.056 486 1HD2 ASN 59 HD21 ASN 59 0.668 -2.055 -17.239 487 2HD2 ASN 59 HD22 ASN 59 0.118 -3.238 -18.325 488 H PHE 60 HN PHE 60 0.428 -1.366 -13.189 489 HA PHE 60 HA PHE 60 -0.129 -2.204 -10.504 490 1HB PHE 60 HB2 PHE 60 2.270 -2.885 -10.701 491 2HB PHE 60 HB1 PHE 60 2.688 -1.204 -11.029 492 HD1 PHE 60 HD1 PHE 60 1.731 0.545 -9.275 493 HD2 PHE 60 HD2 PHE 60 2.336 -3.635 -8.489 494 HE1 PHE 60 HE1 PHE 60 1.776 1.009 -6.840 495 HE2 PHE 60 HE2 PHE 60 2.382 -3.168 -6.054 496 HZ PHE 60 HZ PHE 60 2.102 -0.848 -5.230 497 H GLU 61 HN GLU 61 1.093 0.301 -12.669 498 HA GLU 61 HA GLU 61 0.710 2.561 -10.946 499 1HB GLU 61 HB2 GLU 61 0.877 2.051 -13.907 500 2HB GLU 61 HB1 GLU 61 0.513 3.673 -13.317 501 1HG GLU 61 HG2 GLU 61 2.771 2.314 -11.968 502 2HG GLU 61 HG1 GLU 61 3.042 2.732 -13.660 503 H GLU 62 HN GLU 62 -1.250 2.168 -13.880 504 HA GLU 62 HA GLU 62 -3.486 3.613 -13.150 505 1HB GLU 62 HB2 GLU 62 -2.855 1.331 -14.907 506 2HB GLU 62 HB1 GLU 62 -4.562 1.435 -14.473 507 1HG GLU 62 HG2 GLU 62 -4.593 3.803 -15.190 508 2HG GLU 62 HG1 GLU 62 -2.896 3.676 -15.655 509 H VAL 63 HN VAL 63 -2.895 0.169 -12.375 510 HA VAL 63 HA VAL 63 -5.259 -0.434 -10.985 511 HB VAL 63 HB VAL 63 -2.370 -1.226 -10.847 512 1HG1 VAL 63 HG11 VAL 63 -2.637 -1.539 -8.582 513 2HG1 VAL 63 HG12 VAL 63 -3.363 -3.042 -9.145 514 3HG1 VAL 63 HG13 VAL 63 -4.389 -1.679 -8.696 515 1HG2 VAL 63 HG21 VAL 63 -3.360 -2.531 -12.434 516 2HG2 VAL 63 HG22 VAL 63 -4.969 -2.326 -11.741 517 3HG2 VAL 63 HG23 VAL 63 -3.847 -3.492 -11.038 518 H ALA 64 HN ALA 64 -2.271 1.049 -9.739 519 HA ALA 64 HA ALA 64 -3.171 1.475 -7.060 520 1HB ALA 64 HB1 ALA 64 -0.826 1.534 -8.039 521 2HB ALA 64 HB2 ALA 64 -1.198 2.856 -6.932 522 3HB ALA 64 HB3 ALA 64 -1.215 3.133 -8.674 523 H THR 65 HN THR 65 -2.856 3.895 -9.691 524 HA THR 65 HA THR 65 -3.963 6.117 -8.544 525 HB THR 65 HB THR 65 -5.173 5.994 -11.060 526 HG1 THR 65 HG1 THR 65 -4.312 4.048 -11.545 527 1HG2 THR 65 HG21 THR 65 -2.626 6.883 -11.572 528 2HG2 THR 65 HG22 THR 65 -2.745 7.102 -9.826 529 3HG2 THR 65 HG23 THR 65 -3.917 7.875 -10.893 530 H ARG 66 HN ARG 66 -5.720 3.183 -9.365 531 HA ARG 66 HA ARG 66 -8.330 4.505 -8.848 532 1HB ARG 66 HB2 ARG 66 -7.885 2.926 -10.766 533 2HB ARG 66 HB1 ARG 66 -7.673 1.639 -9.578 534 1HG ARG 66 HG2 ARG 66 -9.930 1.811 -8.835 535 2HG ARG 66 HG1 ARG 66 -10.164 3.348 -9.668 536 1HD ARG 66 HD2 ARG 66 -9.706 2.070 -11.850 537 2HD ARG 66 HD1 ARG 66 -9.914 0.591 -10.890 538 HE ARG 66 HE ARG 66 -12.032 2.612 -10.556 539 1HH1 ARG 66 HH21 ARG 66 -10.902 0.135 -12.630 540 2HH1 ARG 66 HH22 ARG 66 -12.463 -0.577 -12.869 541 1HH2 ARG 66 HH11 ARG 66 -14.062 1.542 -10.636 542 2HH2 ARG 66 HH12 ARG 66 -14.254 0.220 -11.738 543 H VAL 67 HN VAL 67 -6.929 1.395 -7.830 544 HA VAL 67 HA VAL 67 -8.434 1.485 -5.303 545 HB VAL 67 HB VAL 67 -8.277 -0.610 -6.480 546 1HG1 VAL 67 HG11 VAL 67 -5.761 -1.525 -6.626 547 2HG1 VAL 67 HG12 VAL 67 -5.419 0.201 -6.745 548 3HG1 VAL 67 HG13 VAL 67 -6.482 -0.571 -7.922 549 1HG2 VAL 67 HG21 VAL 67 -6.186 -1.364 -4.599 550 2HG2 VAL 67 HG22 VAL 67 -7.892 -1.809 -4.609 551 3HG2 VAL 67 HG23 VAL 67 -7.378 -0.301 -3.855 552 H SER 68 HN SER 68 -6.839 3.646 -5.129 553 HA SER 68 HA SER 68 -4.539 2.760 -3.422 554 1HB SER 68 HB2 SER 68 -4.836 4.802 -5.573 555 2HB SER 68 HB1 SER 68 -3.750 5.169 -4.241 556 HG SER 68 HG SER 68 -2.555 3.391 -4.717 557 H ASP 69 HN ASP 69 -3.841 4.725 -1.972 558 HA ASP 69 HA ASP 69 -6.002 5.329 -0.173 559 1HB ASP 69 HB2 ASP 69 -3.500 5.064 0.256 560 2HB ASP 69 HB1 ASP 69 -3.312 6.693 -0.396 561 H CYS 70 HN CYS 70 -7.508 6.379 -1.748 562 HA CYS 70 HA CYS 70 -8.378 8.250 -2.925 563 1HB CYS 70 HB2 CYS 70 -8.910 8.724 -0.633 564 2HB CYS 70 HB1 CYS 70 -7.260 9.246 -0.294 565 HG CYS 70 HG CYS 70 -9.439 10.964 -1.581 566 H SER 71 HN SER 71 -6.003 10.309 -1.378 567 HA SER 71 HA SER 71 -5.202 11.759 -3.611 568 1HB SER 71 HB2 SER 71 -4.606 12.120 -1.203 569 2HB SER 71 HB1 SER 71 -3.471 10.787 -1.315 570 HG SER 71 HG SER 71 -2.336 11.954 -2.879 571 H SER 72 HN SER 72 -3.744 8.796 -2.319 572 HA SER 72 HA SER 72 -1.716 8.396 -4.247 573 1HB SER 72 HB2 SER 72 -3.501 6.527 -2.666 574 2HB SER 72 HB1 SER 72 -2.158 5.938 -3.641 575 HG SER 72 HG SER 72 -0.750 7.013 -2.354 576 H ALA 73 HN ALA 73 -5.221 7.744 -4.417 577 HA ALA 73 HA ALA 73 -5.326 6.228 -6.802 578 1HB ALA 73 HB1 ALA 73 -7.561 6.805 -6.744 579 2HB ALA 73 HB2 ALA 73 -7.209 8.521 -6.538 580 3HB ALA 73 HB3 ALA 73 -7.131 7.433 -5.152 581 H LYS 74 HN LYS 74 -4.579 9.572 -6.173 582 HA LYS 74 HA LYS 74 -4.440 10.327 -9.037 583 1HB LYS 74 HB2 LYS 74 -5.186 11.836 -7.134 584 2HB LYS 74 HB1 LYS 74 -3.534 11.776 -6.518 585 1HG LYS 74 HG2 LYS 74 -3.632 13.762 -7.823 586 2HG LYS 74 HG1 LYS 74 -2.802 12.584 -8.839 587 1HD LYS 74 HD2 LYS 74 -5.746 12.581 -9.099 588 2HD LYS 74 HD1 LYS 74 -4.954 14.055 -9.657 589 1HE LYS 74 HE2 LYS 74 -3.804 11.402 -10.480 590 2HE LYS 74 HE1 LYS 74 -5.229 12.032 -11.330 591 1HZ LYS 74 HZ1 LYS 74 -4.122 13.968 -11.930 592 2HZ LYS 74 HZ2 LYS 74 -2.928 12.778 -12.142 593 3HZ LYS 74 HZ3 LYS 74 -2.909 13.768 -10.761 594 H ARG 75 HN ARG 75 -2.419 9.374 -6.350 595 HA ARG 75 HA ARG 75 0.015 9.352 -8.102 596 1HB ARG 75 HB2 ARG 75 -0.581 10.580 -5.582 597 2HB ARG 75 HB1 ARG 75 0.612 9.311 -5.297 598 1HG ARG 75 HG2 ARG 75 1.607 10.425 -7.557 599 2HG ARG 75 HG1 ARG 75 0.872 11.840 -6.808 600 1HD ARG 75 HD2 ARG 75 2.126 11.438 -4.737 601 2HD ARG 75 HD1 ARG 75 2.823 9.959 -5.429 602 HE ARG 75 HE ARG 75 4.144 11.305 -6.913 603 1HH1 ARG 75 HH11 ARG 75 4.454 13.020 -4.468 604 2HH1 ARG 75 HH12 ARG 75 4.054 14.592 -5.077 605 1HH2 ARG 75 HH21 ARG 75 2.528 13.383 -7.947 606 2HH2 ARG 75 HH22 ARG 75 2.963 14.797 -7.047 607 H GLY 76 HN GLY 76 -1.398 7.119 -8.414 608 1HA GLY 76 HA2 GLY 76 -1.079 5.147 -6.315 609 2HA GLY 76 HA1 GLY 76 -1.596 4.817 -7.968 610 H GLY 77 HN GLY 77 1.095 6.492 -8.488 611 1HA GLY 77 HA2 GLY 77 2.649 4.224 -9.259 612 2HA GLY 77 HA1 GLY 77 3.269 5.870 -9.123 613 H ASP 78 HN ASP 78 4.404 6.458 -7.265 614 HA ASP 78 HA ASP 78 4.508 4.500 -5.031 615 1HB ASP 78 HB2 ASP 78 6.919 4.302 -5.245 616 2HB ASP 78 HB1 ASP 78 6.198 3.948 -6.817 617 H LEU 79 HN LEU 79 6.480 5.495 -3.534 618 HA LEU 79 HA LEU 79 5.523 8.203 -2.777 619 1HB LEU 79 HB2 LEU 79 7.287 6.081 -1.505 620 2HB LEU 79 HB1 LEU 79 6.969 7.641 -0.752 621 HG LEU 79 HG LEU 79 4.524 7.138 -0.838 622 1HD1 LEU 79 HD11 LEU 79 4.160 4.524 -1.119 623 2HD1 LEU 79 HD12 LEU 79 5.595 4.659 -2.134 624 3HD1 LEU 79 HD13 LEU 79 4.148 5.589 -2.525 625 1HD2 LEU 79 HD21 LEU 79 6.527 5.551 0.687 626 2HD2 LEU 79 HD22 LEU 79 4.860 4.979 0.754 627 3HD2 LEU 79 HD23 LEU 79 5.251 6.617 1.277 628 H GLY 80 HN GLY 80 8.685 6.612 -2.771 629 1HA GLY 80 HA2 GLY 80 10.269 7.692 -4.575 630 2HA GLY 80 HA1 GLY 80 9.982 9.142 -3.608 631 H SER 81 HN SER 81 10.767 9.210 -1.459 632 HA SER 81 HA SER 81 12.425 6.947 -0.514 633 1HB SER 81 HB2 SER 81 14.421 7.980 -0.857 634 2HB SER 81 HB1 SER 81 13.516 8.809 -2.120 635 HG SER 81 HG SER 81 13.448 10.582 -0.926 636 H PHE 82 HN PHE 82 12.181 6.788 1.658 637 HA PHE 82 HA PHE 82 11.927 9.209 3.337 638 1HB PHE 82 HB2 PHE 82 9.801 8.166 4.336 639 2HB PHE 82 HB1 PHE 82 9.637 8.840 2.718 640 HD1 PHE 82 HD1 PHE 82 9.838 7.274 0.715 641 HD2 PHE 82 HD2 PHE 82 9.390 5.866 4.746 642 HE1 PHE 82 HE1 PHE 82 9.119 5.066 -0.141 643 HE2 PHE 82 HE2 PHE 82 8.667 3.656 3.891 644 HZ PHE 82 HZ PHE 82 8.534 3.255 1.443 645 H GLY 83 HN GLY 83 10.979 7.609 5.621 646 1HA GLY 83 HA2 GLY 83 12.152 5.232 6.225 647 2HA GLY 83 HA1 GLY 83 13.538 6.320 6.266 648 H ARG 84 HN ARG 84 13.586 7.982 7.890 649 HA ARG 84 HA ARG 84 12.308 7.236 10.395 650 1HB ARG 84 HB2 ARG 84 14.192 9.318 9.352 651 2HB ARG 84 HB1 ARG 84 13.438 9.592 10.923 652 1HG ARG 84 HG2 ARG 84 15.385 8.421 11.498 653 2HG ARG 84 HG1 ARG 84 14.176 7.138 11.430 654 1HD ARG 84 HD2 ARG 84 15.967 6.254 10.159 655 2HD ARG 84 HD1 ARG 84 14.911 6.940 8.909 656 HE ARG 84 HE ARG 84 16.477 8.715 8.612 657 1HH1 ARG 84 HH21 ARG 84 18.308 6.363 9.609 658 2HH1 ARG 84 HH22 ARG 84 19.348 7.244 10.678 659 1HH2 ARG 84 HH11 ARG 84 17.317 10.055 10.764 660 2HH2 ARG 84 HH12 ARG 84 18.786 9.335 11.331 661 H GLY 85 HN GLY 85 10.008 7.472 9.892 662 1HA GLY 85 HA2 GLY 85 8.236 9.057 10.623 663 2HA GLY 85 HA1 GLY 85 9.133 10.332 9.796 664 H GLN 86 HN GLN 86 7.549 10.917 8.290 665 HA GLN 86 HA GLN 86 6.265 10.742 6.304 666 1HB GLN 86 HB2 GLN 86 8.345 8.563 6.056 667 2HB GLN 86 HB1 GLN 86 7.198 8.898 4.766 668 1HG GLN 86 HG2 GLN 86 9.129 10.890 5.952 669 2HG GLN 86 HG1 GLN 86 9.303 10.069 4.403 670 1HE2 GLN 86 HE21 GLN 86 9.260 12.766 4.138 671 2HE2 GLN 86 HE22 GLN 86 7.752 13.325 3.595 672 H MET 87 HN MET 87 6.973 7.331 6.440 673 HA MET 87 HA MET 87 4.100 6.650 6.487 674 1HB MET 87 HB2 MET 87 6.609 5.738 5.402 675 2HB MET 87 HB1 MET 87 5.854 4.418 6.305 676 1HG MET 87 HG2 MET 87 5.170 4.567 3.862 677 2HG MET 87 HG1 MET 87 3.831 4.576 5.008 678 1HE MET 87 HE1 MET 87 5.670 8.471 3.397 679 2HE MET 87 HE2 MET 87 6.226 6.900 2.827 680 3HE MET 87 HE3 MET 87 6.389 7.317 4.525 681 H GLN 88 HN GLN 88 5.527 7.610 8.973 682 HA GLN 88 HA GLN 88 5.717 6.999 11.246 683 1HB GLN 88 HB2 GLN 88 3.456 5.431 10.047 684 2HB GLN 88 HB1 GLN 88 3.903 5.126 11.725 685 1HG GLN 88 HG2 GLN 88 3.726 7.984 11.037 686 2HG GLN 88 HG1 GLN 88 2.195 7.118 10.907 687 1HE2 GLN 88 HE21 GLN 88 1.059 7.310 12.839 688 2HE2 GLN 88 HE22 GLN 88 1.750 7.251 14.389 689 H LYS 89 HN LYS 89 5.463 4.438 12.461 690 HA LYS 89 HA LYS 89 7.992 3.217 11.550 691 1HB LYS 89 HB2 LYS 89 8.114 2.402 13.734 692 2HB LYS 89 HB1 LYS 89 7.214 3.903 13.944 693 1HG LYS 89 HG2 LYS 89 5.087 2.603 13.836 694 2HG LYS 89 HG1 LYS 89 6.034 1.117 13.739 695 1HD LYS 89 HD2 LYS 89 5.352 1.522 16.060 696 2HD LYS 89 HD1 LYS 89 7.102 1.676 15.908 697 1HE LYS 89 HE2 LYS 89 7.039 4.028 16.081 698 2HE LYS 89 HE1 LYS 89 5.320 4.103 15.646 699 1HZ LYS 89 HZ1 LYS 89 5.329 2.446 17.781 700 2HZ LYS 89 HZ2 LYS 89 4.971 4.105 17.844 701 3HZ LYS 89 HZ3 LYS 89 6.538 3.558 18.203 702 HA PRO 90 HA PRO 90 4.847 -0.412 11.149 703 1HB PRO 90 HB2 PRO 90 2.527 0.243 9.851 704 2HB PRO 90 HB1 PRO 90 2.683 0.227 11.618 705 1HG PRO 90 HG2 PRO 90 2.694 2.524 9.742 706 2HG PRO 90 HG1 PRO 90 2.038 2.403 11.379 707 1HD PRO 90 HD2 PRO 90 4.408 3.613 10.727 708 2HD PRO 90 HD1 PRO 90 4.019 2.981 12.340 709 H PHE 91 HN PHE 91 3.758 1.714 8.465 710 HA PHE 91 HA PHE 91 4.312 0.026 6.335 711 1HB PHE 91 HB2 PHE 91 3.236 2.192 6.070 712 2HB PHE 91 HB1 PHE 91 4.695 3.025 6.601 713 HD1 PHE 91 HD1 PHE 91 6.890 2.452 5.190 714 HD2 PHE 91 HD2 PHE 91 2.870 1.942 3.774 715 HE1 PHE 91 HE1 PHE 91 7.717 2.432 2.873 716 HE2 PHE 91 HE2 PHE 91 3.712 1.938 1.431 717 HZ PHE 91 HZ PHE 91 6.132 2.186 0.985 718 H GLU 92 HN GLU 92 6.584 2.427 7.671 719 HA GLU 92 HA GLU 92 8.853 2.023 6.181 720 1HB GLU 92 HB2 GLU 92 8.240 3.312 8.451 721 2HB GLU 92 HB1 GLU 92 9.148 1.973 9.153 722 1HG GLU 92 HG2 GLU 92 10.630 2.844 6.908 723 2HG GLU 92 HG1 GLU 92 10.148 4.298 7.779 724 H GLU 93 HN GLU 93 8.349 0.194 9.203 725 HA GLU 93 HA GLU 93 10.328 -1.728 8.954 726 1HB GLU 93 HB2 GLU 93 9.071 -1.793 10.917 727 2HB GLU 93 HB1 GLU 93 7.541 -1.644 10.058 728 1HG GLU 93 HG2 GLU 93 7.827 -3.908 11.021 729 2HG GLU 93 HG1 GLU 93 7.743 -3.961 9.259 730 H ALA 94 HN ALA 94 7.395 -1.431 7.060 731 HA ALA 94 HA ALA 94 7.358 -4.107 5.981 732 1HB ALA 94 HB1 ALA 94 6.377 -1.793 4.390 733 2HB ALA 94 HB2 ALA 94 5.691 -1.972 6.005 734 3HB ALA 94 HB3 ALA 94 5.538 -3.280 4.831 735 H THR 95 HN THR 95 8.344 -1.031 4.441 736 HA THR 95 HA THR 95 9.634 -2.352 2.220 737 HB THR 95 HB THR 95 10.078 0.433 3.354 738 HG1 THR 95 HG1 THR 95 7.930 0.274 3.053 739 1HG2 THR 95 HG21 THR 95 10.510 0.989 0.969 740 2HG2 THR 95 HG22 THR 95 10.334 -0.718 0.562 741 3HG2 THR 95 HG23 THR 95 11.660 -0.190 1.598 742 H TYR 96 HN TYR 96 10.635 -1.372 5.430 743 HA TYR 96 HA TYR 96 13.504 -1.606 4.952 744 1HB TYR 96 HB2 TYR 96 11.587 -1.155 7.181 745 2HB TYR 96 HB1 TYR 96 13.145 -1.842 7.634 746 HD1 TYR 96 HD1 TYR 96 11.377 1.144 6.854 747 HD2 TYR 96 HD2 TYR 96 15.272 -0.654 6.652 748 HE1 TYR 96 HE1 TYR 96 12.402 3.392 6.659 749 HE2 TYR 96 HE2 TYR 96 16.298 1.600 6.458 750 HH TYR 96 HH TYR 96 14.369 4.531 6.805 751 H ALA 97 HN ALA 97 10.881 -3.766 5.654 752 HA ALA 97 HA ALA 97 12.616 -5.927 6.669 753 1HB ALA 97 HB1 ALA 97 10.398 -5.519 7.616 754 2HB ALA 97 HB2 ALA 97 10.407 -7.091 6.818 755 3HB ALA 97 HB3 ALA 97 9.659 -5.704 6.026 756 H LEU 98 HN LEU 98 10.445 -5.440 3.829 757 HA LEU 98 HA LEU 98 11.672 -7.829 2.546 758 1HB LEU 98 HB2 LEU 98 9.136 -7.112 2.734 759 2HB LEU 98 HB1 LEU 98 9.527 -6.115 1.331 760 HG LEU 98 HG LEU 98 10.504 -8.910 1.221 761 1HD1 LEU 98 HD11 LEU 98 7.871 -9.087 0.267 762 2HD1 LEU 98 HD12 LEU 98 7.731 -8.301 1.840 763 3HD1 LEU 98 HD13 LEU 98 8.523 -9.871 1.706 764 1HD2 LEU 98 HD21 LEU 98 8.836 -7.470 -0.826 765 2HD2 LEU 98 HD22 LEU 98 10.144 -8.627 -1.073 766 3HD2 LEU 98 HD23 LEU 98 10.509 -6.979 -0.561 767 H LYS 99 HN LYS 99 12.396 -7.657 0.273 768 HA LYS 99 HA LYS 99 13.780 -5.058 -0.230 769 1HB LYS 99 HB2 LYS 99 14.168 -7.923 -1.133 770 2HB LYS 99 HB1 LYS 99 15.079 -6.583 -1.829 771 1HG LYS 99 HG2 LYS 99 15.871 -5.973 0.452 772 2HG LYS 99 HG1 LYS 99 15.026 -7.381 1.096 773 1HD LYS 99 HD2 LYS 99 16.946 -8.515 0.705 774 2HD LYS 99 HD1 LYS 99 16.486 -8.450 -0.996 775 1HE LYS 99 HE2 LYS 99 17.734 -6.319 -1.252 776 2HE LYS 99 HE1 LYS 99 18.224 -6.417 0.452 777 1HZ LYS 99 HZ1 LYS 99 18.630 -8.720 -1.340 778 2HZ LYS 99 HZ2 LYS 99 19.457 -8.316 0.087 779 3HZ LYS 99 HZ3 LYS 99 19.751 -7.448 -1.343 780 H VAL 100 HN VAL 100 12.589 -7.633 -2.416 781 HA VAL 100 HA VAL 100 10.600 -5.944 -3.680 782 HB VAL 100 HB VAL 100 12.751 -4.864 -4.355 783 1HG1 VAL 100 HG11 VAL 100 14.240 -6.758 -4.406 784 2HG1 VAL 100 HG12 VAL 100 14.119 -6.155 -6.058 785 3HG1 VAL 100 HG13 VAL 100 13.224 -7.596 -5.579 786 1HG2 VAL 100 HG21 VAL 100 12.106 -5.754 -6.971 787 2HG2 VAL 100 HG22 VAL 100 11.539 -4.296 -6.162 788 3HG2 VAL 100 HG23 VAL 100 10.611 -5.788 -6.038 789 H GLY 101 HN GLY 101 12.739 -8.751 -3.896 790 1HA GLY 101 HA2 GLY 101 11.386 -10.092 -6.026 791 2HA GLY 101 HA1 GLY 101 12.377 -10.887 -4.805 792 H ASP 102 HN ASP 102 10.786 -9.964 -2.548 793 HA ASP 102 HA ASP 102 8.572 -11.928 -2.778 794 1HB ASP 102 HB2 ASP 102 10.227 -10.650 -0.666 795 2HB ASP 102 HB1 ASP 102 8.573 -11.053 -0.211 796 H ILE 103 HN ILE 103 9.092 -8.487 -2.607 797 HA ILE 103 HA ILE 103 7.561 -6.689 -2.718 798 HB ILE 103 HB ILE 103 5.542 -8.884 -3.271 799 1HG1 ILE 103 HG12 ILE 103 7.297 -7.465 -5.291 800 2HG1 ILE 103 HG11 ILE 103 7.696 -9.046 -4.618 801 1HG2 ILE 103 HG21 ILE 103 4.330 -6.903 -3.197 802 2HG2 ILE 103 HG22 ILE 103 4.834 -6.898 -4.887 803 3HG2 ILE 103 HG23 ILE 103 5.705 -5.922 -3.705 804 1HD1 ILE 103 HD11 ILE 103 5.988 -8.501 -6.807 805 2HD1 ILE 103 HD12 ILE 103 4.942 -9.023 -5.486 806 3HD1 ILE 103 HD13 ILE 103 6.260 -10.060 -6.029 807 H SER 104 HN SER 104 7.047 -5.739 -0.825 808 HA SER 104 HA SER 104 6.558 -6.739 1.662 809 1HB SER 104 HB2 SER 104 6.630 -4.425 1.515 810 2HB SER 104 HB1 SER 104 5.537 -4.378 0.135 811 HG SER 104 HG SER 104 4.144 -3.859 1.640 812 H ASP 105 HN ASP 105 4.783 -7.534 2.858 813 HA ASP 105 HA ASP 105 2.447 -8.459 1.225 814 1HB ASP 105 HB2 ASP 105 2.287 -10.119 3.166 815 2HB ASP 105 HB1 ASP 105 3.727 -10.266 2.157 816 H ILE 106 HN ILE 106 0.336 -8.262 2.169 817 HA ILE 106 HA ILE 106 -1.121 -6.434 2.989 818 HB ILE 106 HB ILE 106 -1.489 -7.439 5.426 819 1HG1 ILE 106 HG12 ILE 106 0.842 -8.794 4.679 820 2HG1 ILE 106 HG11 ILE 106 -0.234 -9.231 5.995 821 1HG2 ILE 106 HG21 ILE 106 -2.906 -7.640 3.346 822 2HG2 ILE 106 HG22 ILE 106 -2.984 -9.024 4.434 823 3HG2 ILE 106 HG23 ILE 106 -2.017 -9.112 2.962 824 1HD1 ILE 106 HD11 ILE 106 -1.560 -10.620 4.378 825 2HD1 ILE 106 HD12 ILE 106 0.096 -11.184 4.596 826 3HD1 ILE 106 HD13 ILE 106 -0.343 -10.274 3.150 827 H VAL 107 HN VAL 107 -0.452 -4.349 3.385 828 HA VAL 107 HA VAL 107 1.329 -3.883 5.748 829 HB VAL 107 HB VAL 107 0.651 -1.972 3.498 830 1HG1 VAL 107 HG11 VAL 107 1.960 -1.549 5.849 831 2HG1 VAL 107 HG12 VAL 107 2.286 -0.646 4.369 832 3HG1 VAL 107 HG13 VAL 107 3.303 -2.019 4.806 833 1HG2 VAL 107 HG21 VAL 107 2.045 -3.042 2.068 834 2HG2 VAL 107 HG22 VAL 107 1.920 -4.434 3.143 835 3HG2 VAL 107 HG23 VAL 107 3.253 -3.297 3.326 836 H ASP 108 HN ASP 108 -1.028 -4.317 6.779 837 HA ASP 108 HA ASP 108 -3.067 -2.341 6.657 838 1HB ASP 108 HB2 ASP 108 -3.496 -3.229 9.043 839 2HB ASP 108 HB1 ASP 108 -3.534 -4.395 7.717 840 H THR 109 HN THR 109 -2.359 -0.219 6.711 841 HA THR 109 HA THR 109 -1.180 0.706 9.303 842 HB THR 109 HB THR 109 -0.314 2.226 6.963 843 HG1 THR 109 HG1 THR 109 0.540 0.688 5.804 844 1HG2 THR 109 HG21 THR 109 0.678 1.257 9.498 845 2HG2 THR 109 HG22 THR 109 1.267 2.595 8.511 846 3HG2 THR 109 HG23 THR 109 1.855 0.958 8.220 847 H ASP 110 HN ASP 110 -1.124 3.450 8.527 848 HA ASP 110 HA ASP 110 -3.663 4.415 9.113 849 1HB ASP 110 HB2 ASP 110 -1.475 5.671 8.848 850 2HB ASP 110 HB1 ASP 110 -1.736 5.628 7.104 851 H SER 111 HN SER 111 -5.440 5.154 7.750 852 HA SER 111 HA SER 111 -6.860 5.102 5.850 853 1HB SER 111 HB2 SER 111 -4.589 3.886 4.300 854 2HB SER 111 HB1 SER 111 -5.818 5.017 3.750 855 HG SER 111 HG SER 111 -4.814 6.635 4.898 856 H GLY 112 HN GLY 112 -4.650 2.286 5.674 857 1HA GLY 112 HA2 GLY 112 -6.288 0.289 6.630 858 2HA GLY 112 HA1 GLY 112 -6.867 0.513 4.981 859 H VAL 113 HN VAL 113 -6.098 -1.774 4.788 860 HA VAL 113 HA VAL 113 -3.365 -2.549 4.967 861 HB VAL 113 HB VAL 113 -4.185 -4.302 3.255 862 1HG1 VAL 113 HG11 VAL 113 -4.864 -3.809 6.042 863 2HG1 VAL 113 HG12 VAL 113 -4.425 -5.324 5.252 864 3HG1 VAL 113 HG13 VAL 113 -6.102 -4.776 5.239 865 1HG2 VAL 113 HG21 VAL 113 -6.099 -2.467 2.718 866 2HG2 VAL 113 HG22 VAL 113 -6.933 -3.420 3.945 867 3HG2 VAL 113 HG23 VAL 113 -6.335 -4.198 2.479 868 H HIS 114 HN HIS 114 -1.657 -1.948 3.816 869 HA HIS 114 HA HIS 114 -2.078 -0.801 1.074 870 1HB HIS 114 HB2 HIS 114 -0.088 -0.271 3.297 871 2HB HIS 114 HB1 HIS 114 0.149 0.329 1.660 872 HD1 HIS 114 HD1 HIS 114 -1.659 2.062 0.764 873 HD2 HIS 114 HD2 HIS 114 -1.890 1.198 4.839 874 HE1 HIS 114 HE1 HIS 114 -3.049 3.903 1.809 875 H ILE 115 HN ILE 115 -0.215 -1.206 -0.401 876 HA ILE 115 HA ILE 115 1.351 -3.672 0.267 877 HB ILE 115 HB ILE 115 0.915 -4.466 -2.009 878 1HG1 ILE 115 HG12 ILE 115 -1.118 -2.619 -2.840 879 2HG1 ILE 115 HG11 ILE 115 0.348 -1.712 -2.464 880 1HG2 ILE 115 HG21 ILE 115 -0.951 -5.367 -1.131 881 2HG2 ILE 115 HG22 ILE 115 -1.845 -3.942 -1.657 882 3HG2 ILE 115 HG23 ILE 115 -1.142 -3.994 -0.041 883 1HD1 ILE 115 HD11 ILE 115 -0.189 -3.489 -4.708 884 2HD1 ILE 115 HD12 ILE 115 1.267 -3.968 -3.835 885 3HD1 ILE 115 HD13 ILE 115 1.127 -2.335 -4.486 886 H ILE 116 HN ILE 116 3.515 -3.628 -0.752 887 HA ILE 116 HA ILE 116 4.190 -0.990 -2.005 888 HB ILE 116 HB ILE 116 5.389 -2.389 0.386 889 1HG1 ILE 116 HG12 ILE 116 5.140 0.495 0.465 890 2HG1 ILE 116 HG11 ILE 116 3.603 -0.244 0.013 891 1HG2 ILE 116 HG21 ILE 116 7.250 -0.781 0.286 892 2HG2 ILE 116 HG22 ILE 116 6.626 -0.140 -1.234 893 3HG2 ILE 116 HG23 ILE 116 7.234 -1.793 -1.158 894 1HD1 ILE 116 HD11 ILE 116 4.091 -1.893 1.969 895 2HD1 ILE 116 HD12 ILE 116 3.516 -0.272 2.358 896 3HD1 ILE 116 HD13 ILE 116 5.230 -0.660 2.509 897 H LYS 117 HN LYS 117 6.183 -0.991 -3.206 898 HA LYS 117 HA LYS 117 7.270 -3.669 -3.972 899 1HB LYS 117 HB2 LYS 117 5.509 -2.019 -5.462 900 2HB LYS 117 HB1 LYS 117 7.096 -1.841 -6.211 901 1HG LYS 117 HG2 LYS 117 7.266 -4.132 -6.695 902 2HG LYS 117 HG1 LYS 117 6.057 -4.573 -5.489 903 1HD LYS 117 HD2 LYS 117 4.543 -4.599 -7.160 904 2HD LYS 117 HD1 LYS 117 4.712 -2.845 -7.234 905 1HE LYS 117 HE2 LYS 117 6.290 -2.950 -8.999 906 2HE LYS 117 HE1 LYS 117 6.633 -4.666 -8.701 907 1HZ LYS 117 HZ1 LYS 117 5.119 -4.438 -10.563 908 2HZ LYS 117 HZ2 LYS 117 4.041 -3.531 -9.614 909 3HZ LYS 117 HZ3 LYS 117 4.318 -5.169 -9.258 910 H ARG 118 HN ARG 118 9.372 -3.205 -5.372 911 HA ARG 118 HA ARG 118 10.652 -0.619 -4.709 912 1HB ARG 118 HB2 ARG 118 10.784 -2.340 -2.773 913 2HB ARG 118 HB1 ARG 118 11.934 -3.197 -3.799 914 1HG ARG 118 HG2 ARG 118 13.331 -1.171 -3.942 915 2HG ARG 118 HG1 ARG 118 12.179 -0.301 -2.931 916 1HD ARG 118 HD2 ARG 118 12.674 -1.656 -1.022 917 2HD ARG 118 HD1 ARG 118 13.553 -2.843 -2.009 918 HE ARG 118 HE ARG 118 14.512 -0.016 -1.884 919 1HH1 ARG 118 HH11 ARG 118 15.055 -2.423 0.177 920 2HH1 ARG 118 HH12 ARG 118 16.699 -2.752 -0.258 921 1HH2 ARG 118 HH21 ARG 118 16.591 -0.849 -3.156 922 2HH2 ARG 118 HH22 ARG 118 17.570 -1.860 -2.146 923 H THR 119 HN THR 119 13.166 -2.659 -5.068 924 HA THR 119 HA THR 119 13.817 -1.896 -7.729 925 HB THR 119 HB THR 119 14.856 -4.406 -6.467 926 HG1 THR 119 HG1 THR 119 16.118 -2.894 -5.113 927 1HG2 THR 119 HG21 THR 119 15.747 -3.201 -8.578 928 2HG2 THR 119 HG22 THR 119 16.920 -3.675 -7.349 929 3HG2 THR 119 HG23 THR 119 16.379 -1.999 -7.454 930 H ALA 120 HN ALA 120 14.627 -4.863 -8.296 931 HA ALA 120 HA ALA 120 12.084 -5.564 -9.707 932 1HB ALA 120 HB1 ALA 120 14.876 -5.393 -10.390 933 2HB ALA 120 HB2 ALA 120 13.506 -5.717 -11.453 934 3HB ALA 120 HB3 ALA 120 14.322 -7.049 -10.635 Start of MODEL 17 1 1H HIS 1 HT1 HIS 1 25.303 7.391 2.308 2 2H HIS 1 HT2 HIS 1 24.204 8.531 2.925 3 3H HIS 1 HT3 HIS 1 25.876 8.775 3.104 4 HA HIS 1 HA HIS 1 24.198 9.111 0.708 5 1HB HIS 1 HB2 HIS 1 25.711 10.641 2.611 6 2HB HIS 1 HB1 HIS 1 26.420 10.872 1.013 7 HD1 HIS 1 HD1 HIS 1 25.451 13.297 0.858 8 HD2 HIS 1 HD2 HIS 1 22.550 10.326 1.229 9 HE1 HIS 1 HE1 HIS 1 23.233 14.388 0.306 10 H MET 2 HN MET 2 27.652 8.762 1.626 11 HA MET 2 HA MET 2 28.260 7.919 -1.169 12 1HB MET 2 HB2 MET 2 29.993 8.678 1.208 13 2HB MET 2 HB1 MET 2 30.595 8.339 -0.415 14 1HG MET 2 HG2 MET 2 28.516 10.227 -0.733 15 2HG MET 2 HG1 MET 2 29.489 10.794 0.624 16 1HE MET 2 HE1 MET 2 32.708 11.536 -0.267 17 2HE MET 2 HE2 MET 2 31.271 11.651 0.745 18 3HE MET 2 HE3 MET 2 31.528 12.825 -0.544 19 H ALA 3 HN ALA 3 28.417 6.809 2.194 20 HA ALA 3 HA ALA 3 29.752 4.291 1.521 21 1HB ALA 3 HB1 ALA 3 29.613 5.807 3.720 22 2HB ALA 3 HB2 ALA 3 29.849 4.063 3.825 23 3HB ALA 3 HB3 ALA 3 28.243 4.751 4.062 24 H SER 4 HN SER 4 26.435 5.414 1.962 25 HA SER 4 HA SER 4 25.379 2.988 0.725 26 1HB SER 4 HB2 SER 4 25.377 1.855 2.707 27 2HB SER 4 HB1 SER 4 25.584 3.328 3.650 28 HG SER 4 HG SER 4 23.537 3.151 4.058 29 H ARG 5 HN ARG 5 22.809 3.082 1.062 30 HA ARG 5 HA ARG 5 21.867 5.523 -0.070 31 1HB ARG 5 HB2 ARG 5 20.751 3.028 1.121 32 2HB ARG 5 HB1 ARG 5 19.639 4.386 0.954 33 1HG ARG 5 HG2 ARG 5 19.653 4.291 -1.331 34 2HG ARG 5 HG1 ARG 5 21.353 3.825 -1.402 35 1HD ARG 5 HD2 ARG 5 19.215 1.923 -0.405 36 2HD ARG 5 HD1 ARG 5 19.695 2.006 -2.112 37 HE ARG 5 HE ARG 5 22.008 1.852 -0.379 38 1HH1 ARG 5 HH21 ARG 5 20.067 -0.417 0.397 39 2HH1 ARG 5 HH22 ARG 5 20.679 -1.703 -0.587 40 1HH2 ARG 5 HH11 ARG 5 22.557 0.386 -2.618 41 2HH2 ARG 5 HH12 ARG 5 22.087 -1.249 -2.293 42 H ASP 6 HN ASP 6 19.671 6.355 1.299 43 HA ASP 6 HA ASP 6 20.484 7.024 4.079 44 1HB ASP 6 HB2 ASP 6 20.765 8.703 1.759 45 2HB ASP 6 HB1 ASP 6 19.563 9.412 2.839 46 H GLN 7 HN GLN 7 18.093 8.171 1.698 47 HA GLN 7 HA GLN 7 15.929 7.936 3.689 48 1HB GLN 7 HB2 GLN 7 16.523 9.602 1.577 49 2HB GLN 7 HB1 GLN 7 15.313 8.539 0.861 50 1HG GLN 7 HG2 GLN 7 13.636 9.292 2.236 51 2HG GLN 7 HG1 GLN 7 14.730 9.573 3.589 52 1HE2 GLN 7 HE21 GLN 7 14.754 11.777 4.054 53 2HE2 GLN 7 HE22 GLN 7 14.791 13.016 2.894 54 H VAL 8 HN VAL 8 13.824 6.859 2.795 55 HA VAL 8 HA VAL 8 14.586 4.244 1.540 56 HB VAL 8 HB VAL 8 13.822 3.857 3.747 57 1HG1 VAL 8 HG11 VAL 8 11.597 4.948 4.487 58 2HG1 VAL 8 HG12 VAL 8 11.853 6.058 3.140 59 3HG1 VAL 8 HG13 VAL 8 13.035 5.966 4.444 60 1HG2 VAL 8 HG21 VAL 8 12.316 2.957 1.611 61 2HG2 VAL 8 HG22 VAL 8 11.092 3.641 2.680 62 3HG2 VAL 8 HG23 VAL 8 12.169 2.376 3.270 63 H LYS 9 HN LYS 9 14.193 4.904 -0.664 64 HA LYS 9 HA LYS 9 11.739 6.240 -1.438 65 1HB LYS 9 HB2 LYS 9 13.844 4.654 -2.936 66 2HB LYS 9 HB1 LYS 9 12.505 5.493 -3.711 67 1HG LYS 9 HG2 LYS 9 13.567 7.408 -2.006 68 2HG LYS 9 HG1 LYS 9 14.989 6.591 -2.634 69 1HD LYS 9 HD2 LYS 9 13.077 8.386 -4.003 70 2HD LYS 9 HD1 LYS 9 14.767 8.071 -4.362 71 1HE LYS 9 HE2 LYS 9 13.849 5.749 -5.227 72 2HE LYS 9 HE1 LYS 9 12.316 6.636 -5.343 73 1HZ LYS 9 HZ1 LYS 9 13.151 8.090 -6.861 74 2HZ LYS 9 HZ2 LYS 9 14.088 6.733 -7.272 75 3HZ LYS 9 HZ3 LYS 9 14.746 7.960 -6.297 76 H ALA 10 HN ALA 10 10.036 5.157 -2.817 77 HA ALA 10 HA ALA 10 9.785 2.348 -3.154 78 1HB ALA 10 HB1 ALA 10 9.801 1.802 -0.926 79 2HB ALA 10 HB2 ALA 10 8.097 2.248 -1.026 80 3HB ALA 10 HB3 ALA 10 9.279 3.412 -0.429 81 H SER 11 HN SER 11 7.426 1.629 -3.327 82 HA SER 11 HA SER 11 5.652 3.920 -4.085 83 1HB SER 11 HB2 SER 11 5.115 2.791 -6.070 84 2HB SER 11 HB1 SER 11 6.796 2.305 -5.864 85 HG SER 11 HG SER 11 6.105 0.378 -4.995 86 H HIS 12 HN HIS 12 3.215 2.665 -4.349 87 HA HIS 12 HA HIS 12 2.823 0.562 -2.373 88 1HB HIS 12 HB2 HIS 12 1.894 1.941 -0.581 89 2HB HIS 12 HB1 HIS 12 3.536 2.466 -0.954 90 HD1 HIS 12 HD1 HIS 12 0.022 3.615 -0.927 91 HD2 HIS 12 HD2 HIS 12 3.640 4.926 -2.526 92 HE1 HIS 12 HE1 HIS 12 -0.333 6.024 -1.621 93 H ILE 13 HN ILE 13 0.518 0.267 -1.772 94 HA ILE 13 HA ILE 13 -1.505 1.579 -3.495 95 HB ILE 13 HB ILE 13 -0.379 -1.163 -3.789 96 1HG1 ILE 13 HG12 ILE 13 -1.668 0.929 -5.539 97 2HG1 ILE 13 HG11 ILE 13 -0.008 0.338 -5.586 98 1HG2 ILE 13 HG21 ILE 13 -3.328 -0.661 -4.265 99 2HG2 ILE 13 HG22 ILE 13 -2.699 -1.573 -2.895 100 3HG2 ILE 13 HG23 ILE 13 -2.454 -2.165 -4.538 101 1HD1 ILE 13 HD11 ILE 13 -0.838 -0.888 -7.347 102 2HD1 ILE 13 HD12 ILE 13 -2.485 -0.871 -6.718 103 3HD1 ILE 13 HD13 ILE 13 -1.294 -1.985 -6.044 104 H LEU 14 HN LEU 14 -3.775 0.577 -2.817 105 HA LEU 14 HA LEU 14 -3.738 -0.402 0.007 106 1HB LEU 14 HB2 LEU 14 -3.809 1.998 0.203 107 2HB LEU 14 HB1 LEU 14 -5.038 2.120 -1.056 108 HG LEU 14 HG LEU 14 -6.194 0.384 0.780 109 1HD1 LEU 14 HD11 LEU 14 -4.348 0.952 2.365 110 2HD1 LEU 14 HD12 LEU 14 -5.940 1.423 2.961 111 3HD1 LEU 14 HD13 LEU 14 -4.854 2.640 2.289 112 1HD2 LEU 14 HD21 LEU 14 -6.685 2.912 -0.377 113 2HD2 LEU 14 HD22 LEU 14 -6.899 3.134 1.355 114 3HD2 LEU 14 HD23 LEU 14 -7.836 1.909 0.500 115 H ILE 15 HN ILE 15 -5.387 -1.850 0.394 116 HA ILE 15 HA ILE 15 -7.335 -2.352 -1.804 117 HB ILE 15 HB ILE 15 -6.771 -3.952 0.710 118 1HG1 ILE 15 HG12 ILE 15 -5.441 -4.124 -2.012 119 2HG1 ILE 15 HG11 ILE 15 -4.669 -3.584 -0.520 120 1HG2 ILE 15 HG21 ILE 15 -8.795 -4.283 -1.011 121 2HG2 ILE 15 HG22 ILE 15 -7.961 -5.658 -0.287 122 3HG2 ILE 15 HG23 ILE 15 -7.548 -5.134 -1.920 123 1HD1 ILE 15 HD11 ILE 15 -5.983 -6.293 -0.715 124 2HD1 ILE 15 HD12 ILE 15 -4.790 -5.736 0.458 125 3HD1 ILE 15 HD13 ILE 15 -4.308 -6.047 -1.209 126 H LYS 16 HN LYS 16 -8.622 -3.649 0.959 127 HA LYS 16 HA LYS 16 -9.886 -1.272 2.101 128 1HB LYS 16 HB2 LYS 16 -11.015 -2.736 -0.176 129 2HB LYS 16 HB1 LYS 16 -12.135 -2.623 1.183 130 1HG LYS 16 HG2 LYS 16 -12.603 -0.528 0.494 131 2HG LYS 16 HG1 LYS 16 -10.979 -0.081 1.018 132 1HD LYS 16 HD2 LYS 16 -10.299 -1.085 -1.340 133 2HD LYS 16 HD1 LYS 16 -11.976 -0.705 -1.735 134 1HE LYS 16 HE2 LYS 16 -11.216 1.597 -0.461 135 2HE LYS 16 HE1 LYS 16 -9.704 1.125 -1.262 136 1HZ LYS 16 HZ1 LYS 16 -12.287 1.812 -2.435 137 2HZ LYS 16 HZ2 LYS 16 -11.419 0.557 -3.180 138 3HZ LYS 16 HZ3 LYS 16 -10.722 2.099 -3.024 139 H HIS 17 HN HIS 17 -11.100 -1.828 4.006 140 HA HIS 17 HA HIS 17 -11.837 -4.522 4.710 141 1HB HIS 17 HB2 HIS 17 -10.004 -5.127 6.123 142 2HB HIS 17 HB1 HIS 17 -9.270 -4.528 4.638 143 HD1 HIS 17 HD1 HIS 17 -10.144 -1.464 5.652 144 HD2 HIS 17 HD2 HIS 17 -7.588 -4.202 7.482 145 HE1 HIS 17 HE1 HIS 17 -8.629 -0.123 7.177 146 H GLN 18 HN GLN 18 -11.071 -4.106 7.570 147 HA GLN 18 HA GLN 18 -13.197 -2.127 8.228 148 1HB GLN 18 HB2 GLN 18 -11.824 -4.378 9.717 149 2HB GLN 18 HB1 GLN 18 -13.012 -3.312 10.468 150 1HG GLN 18 HG2 GLN 18 -13.634 -4.762 7.898 151 2HG GLN 18 HG1 GLN 18 -13.864 -5.543 9.463 152 1HE2 GLN 18 HE21 GLN 18 -15.323 -3.422 7.197 153 2HE2 GLN 18 HE22 GLN 18 -16.589 -2.868 8.182 154 H GLY 19 HN GLY 19 -10.282 -3.139 10.006 155 1HA GLY 19 HA2 GLY 19 -8.792 -1.829 11.282 156 2HA GLY 19 HA1 GLY 19 -8.693 -0.870 9.804 157 H SER 20 HN SER 20 -9.543 1.175 9.839 158 HA SER 20 HA SER 20 -11.163 1.937 12.249 159 1HB SER 20 HB2 SER 20 -8.699 2.757 11.771 160 2HB SER 20 HB1 SER 20 -9.493 3.848 10.639 161 HG SER 20 HG SER 20 -10.194 4.967 12.270 162 H ARG 21 HN ARG 21 -10.935 1.955 8.772 163 HA ARG 21 HA ARG 21 -13.407 3.653 8.624 164 1HB ARG 21 HB2 ARG 21 -11.048 3.257 6.766 165 2HB ARG 21 HB1 ARG 21 -12.521 4.091 6.271 166 1HG ARG 21 HG2 ARG 21 -11.867 5.238 8.739 167 2HG ARG 21 HG1 ARG 21 -10.321 5.068 7.905 168 1HD ARG 21 HD2 ARG 21 -12.014 5.989 5.899 169 2HD ARG 21 HD1 ARG 21 -12.529 6.903 7.331 170 HE ARG 21 HE ARG 21 -9.643 6.752 7.170 171 1HH1 ARG 21 HH11 ARG 21 -11.537 7.812 4.705 172 2HH1 ARG 21 HH12 ARG 21 -11.116 9.488 4.820 173 1HH2 ARG 21 HH21 ARG 21 -9.475 9.142 7.854 174 2HH2 ARG 21 HH22 ARG 21 -9.949 10.241 6.602 175 H ARG 22 HN ARG 22 -14.264 3.070 6.106 176 HA ARG 22 HA ARG 22 -14.594 0.089 6.075 177 1HB ARG 22 HB2 ARG 22 -16.955 0.463 5.619 178 2HB ARG 22 HB1 ARG 22 -16.510 1.378 7.059 179 1HG ARG 22 HG2 ARG 22 -16.242 2.771 4.435 180 2HG ARG 22 HG1 ARG 22 -17.876 2.491 5.034 181 1HD ARG 22 HD2 ARG 22 -16.120 3.448 7.159 182 2HD ARG 22 HD1 ARG 22 -16.208 4.592 5.804 183 HE ARG 22 HE ARG 22 -18.716 4.407 5.991 184 1HH1 ARG 22 HH21 ARG 22 -17.026 5.296 8.576 185 2HH1 ARG 22 HH22 ARG 22 -18.087 4.666 9.792 186 1HH2 ARG 22 HH11 ARG 22 -19.951 2.774 7.565 187 2HH2 ARG 22 HH12 ARG 22 -19.742 3.239 9.221 188 H LYS 23 HN LYS 23 -14.141 3.042 4.249 189 HA LYS 23 HA LYS 23 -13.459 1.504 1.851 190 1HB LYS 23 HB2 LYS 23 -16.137 2.389 2.336 191 2HB LYS 23 HB1 LYS 23 -15.483 3.335 0.999 192 1HG LYS 23 HG2 LYS 23 -14.591 0.894 0.277 193 2HG LYS 23 HG1 LYS 23 -16.045 0.419 1.156 194 1HD LYS 23 HD2 LYS 23 -17.253 2.234 -0.223 195 2HD LYS 23 HD1 LYS 23 -15.826 2.215 -1.260 196 1HE LYS 23 HE2 LYS 23 -17.557 -0.197 -0.600 197 2HE LYS 23 HE1 LYS 23 -17.513 0.660 -2.154 198 1HZ LYS 23 HZ1 LYS 23 -14.921 0.275 -1.737 199 2HZ LYS 23 HZ2 LYS 23 -15.888 -0.829 -2.592 200 3HZ LYS 23 HZ3 LYS 23 -15.529 -1.101 -0.954 201 H ALA 24 HN ALA 24 -12.888 3.076 0.018 202 HA ALA 24 HA ALA 24 -11.438 5.393 1.160 203 1HB ALA 24 HB1 ALA 24 -10.324 5.354 -1.022 204 2HB ALA 24 HB2 ALA 24 -11.528 4.224 -1.641 205 3HB ALA 24 HB3 ALA 24 -10.404 3.713 -0.382 206 H SER 25 HN SER 25 -13.890 6.230 1.460 207 HA SER 25 HA SER 25 -15.491 7.143 -0.652 208 1HB SER 25 HB2 SER 25 -16.213 8.848 1.017 209 2HB SER 25 HB1 SER 25 -16.064 7.244 1.732 210 HG SER 25 HG SER 25 -15.014 8.683 3.063 211 H TRP 26 HN TRP 26 -15.460 8.997 -1.972 212 HA TRP 26 HA TRP 26 -12.865 10.481 -2.046 213 1HB TRP 26 HB2 TRP 26 -14.539 9.215 -3.964 214 2HB TRP 26 HB1 TRP 26 -14.612 10.947 -4.290 215 HD1 TRP 26 HD1 TRP 26 -12.776 8.222 -5.503 216 HE1 TRP 26 HE1 TRP 26 -10.358 8.823 -6.169 217 HE3 TRP 26 HE3 TRP 26 -12.280 12.684 -3.075 218 HZ2 TRP 26 HZ2 TRP 26 -8.464 10.925 -5.729 219 HZ3 TRP 26 HZ3 TRP 26 -10.164 13.965 -3.213 220 HH2 TRP 26 HH2 TRP 26 -8.255 13.092 -4.536 221 H LYS 27 HN LYS 27 -15.055 11.094 -0.148 222 HA LYS 27 HA LYS 27 -16.076 13.038 0.711 223 1HB LYS 27 HB2 LYS 27 -14.638 14.405 -1.582 224 2HB LYS 27 HB1 LYS 27 -15.134 15.125 -0.052 225 1HG LYS 27 HG2 LYS 27 -13.420 14.130 1.136 226 2HG LYS 27 HG1 LYS 27 -13.320 12.749 0.045 227 1HD LYS 27 HD2 LYS 27 -11.621 13.743 -1.035 228 2HD LYS 27 HD1 LYS 27 -12.700 15.065 -1.482 229 1HE LYS 27 HE2 LYS 27 -12.099 16.350 0.425 230 2HE LYS 27 HE1 LYS 27 -11.370 14.949 1.236 231 1HZ LYS 27 HZ1 LYS 27 -9.716 14.817 -0.499 232 2HZ LYS 27 HZ2 LYS 27 -9.690 16.374 0.179 233 3HZ LYS 27 HZ3 LYS 27 -10.424 16.114 -1.331 234 H ASP 28 HN ASP 28 -15.968 13.661 -2.824 235 HA ASP 28 HA ASP 28 -18.485 14.863 -3.066 236 1HB ASP 28 HB2 ASP 28 -16.538 13.457 -4.774 237 2HB ASP 28 HB1 ASP 28 -18.178 13.471 -5.420 238 HA PRO 29 HA PRO 29 -20.666 10.736 -3.927 239 1HB PRO 29 HB2 PRO 29 -19.222 8.416 -3.965 240 2HB PRO 29 HB1 PRO 29 -19.439 9.443 -5.397 241 1HG PRO 29 HG2 PRO 29 -17.107 9.213 -3.567 242 2HG PRO 29 HG1 PRO 29 -17.148 9.433 -5.323 243 1HD PRO 29 HD2 PRO 29 -16.653 11.455 -3.548 244 2HD PRO 29 HD1 PRO 29 -17.348 11.697 -5.166 245 H GLU 30 HN GLU 30 -18.138 10.851 -1.540 246 HA GLU 30 HA GLU 30 -18.254 10.412 0.789 247 1HB GLU 30 HB2 GLU 30 -20.720 11.104 0.197 248 2HB GLU 30 HB1 GLU 30 -21.051 9.379 0.360 249 1HG GLU 30 HG2 GLU 30 -19.945 9.462 2.627 250 2HG GLU 30 HG1 GLU 30 -19.874 11.217 2.463 251 H GLY 31 HN GLY 31 -18.368 8.213 -1.664 252 1HA GLY 31 HA2 GLY 31 -17.948 5.908 -1.790 253 2HA GLY 31 HA1 GLY 31 -17.257 6.073 -0.175 254 H LYS 32 HN LYS 32 -20.519 7.097 -0.413 255 HA LYS 32 HA LYS 32 -22.425 6.223 0.704 256 1HB LYS 32 HB2 LYS 32 -21.704 4.840 -1.568 257 2HB LYS 32 HB1 LYS 32 -21.872 3.543 -0.384 258 1HG LYS 32 HG2 LYS 32 -24.087 3.663 -0.874 259 2HG LYS 32 HG1 LYS 32 -24.074 5.086 0.169 260 1HD LYS 32 HD2 LYS 32 -24.654 6.359 -1.590 261 2HD LYS 32 HD1 LYS 32 -23.144 5.915 -2.386 262 1HE LYS 32 HE2 LYS 32 -24.449 3.695 -2.983 263 2HE LYS 32 HE1 LYS 32 -25.878 4.716 -2.722 264 1HZ LYS 32 HZ1 LYS 32 -24.646 6.420 -4.128 265 2HZ LYS 32 HZ2 LYS 32 -25.302 5.083 -4.947 266 3HZ LYS 32 HZ3 LYS 32 -23.638 5.144 -4.610 267 H ILE 33 HN ILE 33 -22.926 3.605 1.629 268 HA ILE 33 HA ILE 33 -20.731 3.082 3.591 269 HB ILE 33 HB ILE 33 -22.843 2.732 5.182 270 1HG1 ILE 33 HG12 ILE 33 -24.336 3.363 3.141 271 2HG1 ILE 33 HG11 ILE 33 -24.715 4.082 4.705 272 1HG2 ILE 33 HG21 ILE 33 -21.041 4.940 4.598 273 2HG2 ILE 33 HG22 ILE 33 -21.590 4.325 6.157 274 3HG2 ILE 33 HG23 ILE 33 -22.563 5.508 5.284 275 1HD1 ILE 33 HD11 ILE 33 -24.234 5.463 2.317 276 2HD1 ILE 33 HD12 ILE 33 -22.756 5.676 3.255 277 3HD1 ILE 33 HD13 ILE 33 -24.308 6.164 3.934 278 H ILE 34 HN ILE 34 -20.174 0.988 3.154 279 HA ILE 34 HA ILE 34 -22.120 -1.156 3.433 280 HB ILE 34 HB ILE 34 -22.616 -0.249 1.165 281 1HG1 ILE 34 HG12 ILE 34 -22.089 -2.472 -0.076 282 2HG1 ILE 34 HG11 ILE 34 -21.411 -2.999 1.465 283 1HG2 ILE 34 HG21 ILE 34 -20.075 -1.292 0.064 284 2HG2 ILE 34 HG22 ILE 34 -19.932 0.194 1.003 285 3HG2 ILE 34 HG23 ILE 34 -21.001 0.137 -0.399 286 1HD1 ILE 34 HD11 ILE 34 -23.796 -3.651 1.238 287 2HD1 ILE 34 HD12 ILE 34 -24.229 -1.949 1.072 288 3HD1 ILE 34 HD13 ILE 34 -23.544 -2.542 2.586 289 H LEU 35 HN LEU 35 -20.702 -2.299 4.761 290 HA LEU 35 HA LEU 35 -17.909 -2.410 4.656 291 1HB LEU 35 HB2 LEU 35 -18.144 -4.329 6.058 292 2HB LEU 35 HB1 LEU 35 -19.568 -3.343 6.367 293 HG LEU 35 HG LEU 35 -20.413 -5.538 6.137 294 1HD1 LEU 35 HD11 LEU 35 -21.695 -5.511 4.032 295 2HD1 LEU 35 HD12 LEU 35 -20.635 -4.253 3.401 296 3HD1 LEU 35 HD13 LEU 35 -21.673 -3.918 4.786 297 1HD2 LEU 35 HD21 LEU 35 -18.091 -6.106 4.835 298 2HD2 LEU 35 HD22 LEU 35 -19.230 -6.137 3.489 299 3HD2 LEU 35 HD23 LEU 35 -19.477 -7.194 4.880 300 H THR 36 HN THR 36 -16.809 -4.746 4.172 301 HA THR 36 HA THR 36 -17.716 -6.159 1.820 302 HB THR 36 HB THR 36 -15.373 -4.894 0.832 303 HG1 THR 36 HG1 THR 36 -15.977 -2.731 0.963 304 1HG2 THR 36 HG21 THR 36 -17.879 -5.626 -0.055 305 2HG2 THR 36 HG22 THR 36 -16.680 -4.754 -1.010 306 3HG2 THR 36 HG23 THR 36 -17.939 -3.867 -0.151 307 H THR 37 HN THR 37 -14.690 -5.013 3.331 308 HA THR 37 HA THR 37 -13.743 -7.862 3.395 309 HB THR 37 HB THR 37 -12.390 -5.195 2.971 310 HG1 THR 37 HG1 THR 37 -11.556 -6.371 1.194 311 1HG2 THR 37 HG21 THR 37 -10.215 -6.468 3.110 312 2HG2 THR 37 HG22 THR 37 -11.112 -7.805 3.823 313 3HG2 THR 37 HG23 THR 37 -11.028 -6.255 4.660 314 H THR 38 HN THR 38 -12.151 -8.217 5.286 315 HA THR 38 HA THR 38 -12.792 -6.509 7.650 316 HB THR 38 HB THR 38 -13.336 -8.542 8.925 317 HG1 THR 38 HG1 THR 38 -12.573 -10.328 8.173 318 1HG2 THR 38 HG21 THR 38 -14.905 -8.817 6.381 319 2HG2 THR 38 HG22 THR 38 -15.011 -7.321 7.309 320 3HG2 THR 38 HG23 THR 38 -15.474 -8.854 8.050 321 H ARG 39 HN ARG 39 -11.338 -7.257 9.567 322 HA ARG 39 HA ARG 39 -8.650 -6.895 9.108 323 1HB ARG 39 HB2 ARG 39 -10.036 -7.248 11.277 324 2HB ARG 39 HB1 ARG 39 -9.625 -8.953 11.085 325 1HG ARG 39 HG2 ARG 39 -7.290 -8.519 11.260 326 2HG ARG 39 HG1 ARG 39 -7.521 -6.783 11.046 327 1HD ARG 39 HD2 ARG 39 -7.279 -6.882 13.366 328 2HD ARG 39 HD1 ARG 39 -9.037 -7.090 13.235 329 HE ARG 39 HE ARG 39 -8.768 -9.413 13.719 330 1HH1 ARG 39 HH21 ARG 39 -6.460 -8.249 15.404 331 2HH1 ARG 39 HH22 ARG 39 -5.191 -9.358 15.007 332 1HH2 ARG 39 HH11 ARG 39 -6.833 -10.666 12.250 333 2HH2 ARG 39 HH12 ARG 39 -5.402 -10.727 13.224 334 H GLU 40 HN GLU 40 -10.130 -10.140 9.395 335 HA GLU 40 HA GLU 40 -7.806 -11.586 8.538 336 1HB GLU 40 HB2 GLU 40 -9.844 -12.405 9.797 337 2HB GLU 40 HB1 GLU 40 -10.733 -12.336 8.277 338 1HG GLU 40 HG2 GLU 40 -9.825 -14.616 8.769 339 2HG GLU 40 HG1 GLU 40 -9.205 -13.942 7.261 340 H ALA 41 HN ALA 41 -10.844 -10.898 6.768 341 HA ALA 41 HA ALA 41 -10.068 -11.838 4.230 342 1HB ALA 41 HB1 ALA 41 -11.665 -9.589 3.796 343 2HB ALA 41 HB2 ALA 41 -12.062 -10.075 5.444 344 3HB ALA 41 HB3 ALA 41 -12.252 -11.221 4.116 345 H ALA 42 HN ALA 42 -9.280 -8.805 5.843 346 HA ALA 42 HA ALA 42 -8.314 -7.327 3.611 347 1HB ALA 42 HB1 ALA 42 -8.210 -5.916 5.373 348 2HB ALA 42 HB2 ALA 42 -6.722 -6.731 5.856 349 3HB ALA 42 HB3 ALA 42 -8.270 -7.264 6.508 350 H VAL 43 HN VAL 43 -6.223 -8.893 6.050 351 HA VAL 43 HA VAL 43 -3.856 -8.902 4.539 352 HB VAL 43 HB VAL 43 -4.977 -10.771 6.636 353 1HG1 VAL 43 HG11 VAL 43 -2.682 -11.166 4.911 354 2HG1 VAL 43 HG12 VAL 43 -3.354 -12.247 6.132 355 3HG1 VAL 43 HG13 VAL 43 -2.179 -11.017 6.596 356 1HG2 VAL 43 HG21 VAL 43 -2.667 -9.388 7.488 357 2HG2 VAL 43 HG22 VAL 43 -4.332 -9.078 7.979 358 3HG2 VAL 43 HG23 VAL 43 -3.640 -8.207 6.611 359 H GLU 44 HN GLU 44 -6.625 -11.096 4.400 360 HA GLU 44 HA GLU 44 -5.380 -13.124 2.762 361 1HB GLU 44 HB2 GLU 44 -7.685 -12.870 4.166 362 2HB GLU 44 HB1 GLU 44 -8.291 -12.555 2.539 363 1HG GLU 44 HG2 GLU 44 -8.460 -14.923 2.867 364 2HG GLU 44 HG1 GLU 44 -7.073 -14.668 1.807 365 H GLN 45 HN GLN 45 -7.459 -10.328 2.022 366 HA GLN 45 HA GLN 45 -7.471 -10.653 -0.828 367 1HB GLN 45 HB2 GLN 45 -8.703 -9.072 1.025 368 2HB GLN 45 HB1 GLN 45 -7.553 -7.925 0.340 369 1HG GLN 45 HG2 GLN 45 -9.540 -9.590 -1.233 370 2HG GLN 45 HG1 GLN 45 -9.673 -7.862 -0.906 371 1HE2 GLN 45 HE21 GLN 45 -9.455 -9.072 -3.584 372 2HE2 GLN 45 HE22 GLN 45 -8.022 -8.475 -4.270 373 H LEU 46 HN LEU 46 -5.317 -8.972 1.414 374 HA LEU 46 HA LEU 46 -3.679 -7.715 -0.623 375 1HB LEU 46 HB2 LEU 46 -4.080 -7.338 1.996 376 2HB LEU 46 HB1 LEU 46 -2.673 -8.395 2.112 377 HG LEU 46 HG LEU 46 -2.426 -6.257 0.094 378 1HD1 LEU 46 HD11 LEU 46 -1.739 -5.008 2.541 379 2HD1 LEU 46 HD12 LEU 46 -3.381 -5.620 2.741 380 3HD1 LEU 46 HD13 LEU 46 -3.003 -4.523 1.412 381 1HD2 LEU 46 HD21 LEU 46 -0.465 -7.465 0.501 382 2HD2 LEU 46 HD22 LEU 46 -0.786 -7.583 2.231 383 3HD2 LEU 46 HD23 LEU 46 -0.237 -6.057 1.540 384 H LYS 47 HN LYS 47 -3.666 -10.816 1.051 385 HA LYS 47 HA LYS 47 -1.007 -11.665 0.436 386 1HB LYS 47 HB2 LYS 47 -3.365 -12.651 1.639 387 2HB LYS 47 HB1 LYS 47 -2.967 -13.797 0.358 388 1HG LYS 47 HG2 LYS 47 -0.761 -14.149 1.239 389 2HG LYS 47 HG1 LYS 47 -0.935 -12.807 2.370 390 1HD LYS 47 HD2 LYS 47 -3.118 -14.639 2.749 391 2HD LYS 47 HD1 LYS 47 -1.598 -15.531 2.808 392 1HE LYS 47 HE2 LYS 47 -0.949 -13.323 4.290 393 2HE LYS 47 HE1 LYS 47 -2.664 -13.528 4.701 394 1HZ LYS 47 HZ1 LYS 47 -0.720 -15.768 4.645 395 2HZ LYS 47 HZ2 LYS 47 -2.305 -15.790 5.255 396 3HZ LYS 47 HZ3 LYS 47 -1.095 -14.908 6.057 397 H SER 48 HN SER 48 -4.073 -12.389 -1.243 398 HA SER 48 HA SER 48 -2.972 -13.730 -3.498 399 1HB SER 48 HB2 SER 48 -5.154 -13.458 -4.382 400 2HB SER 48 HB1 SER 48 -5.410 -13.390 -2.641 401 HG SER 48 HG SER 48 -5.211 -11.235 -4.476 402 H ILE 49 HN ILE 49 -3.277 -10.289 -2.757 403 HA ILE 49 HA ILE 49 -2.849 -9.189 -5.328 404 HB ILE 49 HB ILE 49 -2.759 -8.408 -2.538 405 1HG1 ILE 49 HG12 ILE 49 -4.379 -7.637 -4.241 406 2HG1 ILE 49 HG11 ILE 49 -3.545 -6.276 -3.488 407 1HG2 ILE 49 HG21 ILE 49 -0.554 -7.376 -4.319 408 2HG2 ILE 49 HG22 ILE 49 -0.460 -7.892 -2.634 409 3HG2 ILE 49 HG23 ILE 49 -1.235 -6.362 -3.046 410 1HD1 ILE 49 HD11 ILE 49 -3.310 -7.342 -6.265 411 2HD1 ILE 49 HD12 ILE 49 -1.845 -6.706 -5.516 412 3HD1 ILE 49 HD13 ILE 49 -3.264 -5.673 -5.694 413 H ARG 50 HN ARG 50 -0.327 -9.749 -2.845 414 HA ARG 50 HA ARG 50 1.978 -9.334 -4.341 415 1HB ARG 50 HB2 ARG 50 2.117 -9.925 -2.023 416 2HB ARG 50 HB1 ARG 50 1.236 -11.431 -2.283 417 1HG ARG 50 HG2 ARG 50 3.618 -11.274 -3.955 418 2HG ARG 50 HG1 ARG 50 4.011 -11.138 -2.241 419 1HD ARG 50 HD2 ARG 50 2.079 -13.268 -3.134 420 2HD ARG 50 HD1 ARG 50 3.826 -13.535 -3.306 421 HE ARG 50 HE ARG 50 3.532 -12.527 -0.729 422 1HH1 ARG 50 HH21 ARG 50 0.977 -14.307 -1.632 423 2HH1 ARG 50 HH22 ARG 50 1.320 -15.711 -0.677 424 1HH2 ARG 50 HH11 ARG 50 4.543 -14.707 0.120 425 2HH2 ARG 50 HH12 ARG 50 3.339 -15.937 0.316 426 H GLU 51 HN GLU 51 -0.063 -12.234 -4.266 427 HA GLU 51 HA GLU 51 1.456 -13.804 -6.162 428 1HB GLU 51 HB2 GLU 51 -0.040 -15.057 -4.916 429 2HB GLU 51 HB1 GLU 51 -1.195 -13.750 -4.792 430 1HG GLU 51 HG2 GLU 51 -1.919 -15.778 -6.167 431 2HG GLU 51 HG1 GLU 51 -2.098 -14.205 -6.939 432 H ASP 52 HN ASP 52 -1.653 -12.106 -6.498 433 HA ASP 52 HA ASP 52 -1.941 -12.221 -9.280 434 1HB ASP 52 HB2 ASP 52 -2.659 -10.260 -7.120 435 2HB ASP 52 HB1 ASP 52 -2.938 -9.784 -8.795 436 H ILE 53 HN ILE 53 -0.196 -9.727 -7.384 437 HA ILE 53 HA ILE 53 0.872 -8.272 -9.590 438 HB ILE 53 HB ILE 53 2.045 -8.885 -6.852 439 1HG1 ILE 53 HG12 ILE 53 -0.246 -7.926 -6.786 440 2HG1 ILE 53 HG11 ILE 53 0.952 -6.787 -6.172 441 1HG2 ILE 53 HG21 ILE 53 3.058 -6.540 -7.293 442 2HG2 ILE 53 HG22 ILE 53 2.679 -6.852 -8.988 443 3HG2 ILE 53 HG23 ILE 53 3.784 -7.918 -8.120 444 1HD1 ILE 53 HD11 ILE 53 -0.335 -5.465 -7.628 445 2HD1 ILE 53 HD12 ILE 53 -0.491 -6.761 -8.814 446 3HD1 ILE 53 HD13 ILE 53 1.048 -5.921 -8.622 447 H VAL 54 HN VAL 54 1.786 -11.251 -7.983 448 HA VAL 54 HA VAL 54 4.326 -11.618 -9.342 449 HB VAL 54 HB VAL 54 2.469 -13.117 -7.540 450 1HG1 VAL 54 HG11 VAL 54 2.921 -14.841 -9.180 451 2HG1 VAL 54 HG12 VAL 54 3.893 -15.159 -7.745 452 3HG1 VAL 54 HG13 VAL 54 4.638 -14.444 -9.174 453 1HG2 VAL 54 HG21 VAL 54 4.087 -12.689 -6.047 454 2HG2 VAL 54 HG22 VAL 54 4.834 -11.673 -7.280 455 3HG2 VAL 54 HG23 VAL 54 5.328 -13.357 -7.108 456 H SER 55 HN SER 55 1.340 -13.579 -9.563 457 HA SER 55 HA SER 55 1.989 -14.149 -12.417 458 1HB SER 55 HB2 SER 55 -0.355 -15.464 -11.337 459 2HB SER 55 HB1 SER 55 1.147 -16.180 -11.907 460 HG SER 55 HG SER 55 0.792 -16.583 -9.683 461 H GLY 56 HN GLY 56 0.592 -13.452 -14.078 462 1HA GLY 56 HA2 GLY 56 -1.550 -12.668 -14.898 463 2HA GLY 56 HA1 GLY 56 -1.935 -12.120 -13.265 464 H LYS 57 HN LYS 57 -1.016 -11.064 -16.260 465 HA LYS 57 HA LYS 57 0.845 -8.952 -15.669 466 1HB LYS 57 HB2 LYS 57 0.328 -9.970 -17.899 467 2HB LYS 57 HB1 LYS 57 -1.248 -9.179 -17.853 468 1HG LYS 57 HG2 LYS 57 -0.370 -7.201 -18.487 469 2HG LYS 57 HG1 LYS 57 0.905 -7.306 -17.272 470 1HD LYS 57 HD2 LYS 57 2.207 -8.784 -18.741 471 2HD LYS 57 HD1 LYS 57 0.927 -8.723 -19.953 472 1HE LYS 57 HE2 LYS 57 1.935 -6.882 -20.812 473 2HE LYS 57 HE1 LYS 57 1.521 -6.026 -19.313 474 1HZ LYS 57 HZ1 LYS 57 3.884 -7.798 -19.626 475 2HZ LYS 57 HZ2 LYS 57 3.506 -6.830 -18.281 476 3HZ LYS 57 HZ3 LYS 57 3.945 -6.107 -19.755 477 H ALA 58 HN ALA 58 -0.909 -8.682 -13.596 478 HA ALA 58 HA ALA 58 -3.099 -6.849 -14.119 479 1HB ALA 58 HB1 ALA 58 -2.612 -8.581 -12.232 480 2HB ALA 58 HB2 ALA 58 -3.387 -7.059 -11.791 481 3HB ALA 58 HB3 ALA 58 -1.659 -7.284 -11.512 482 H ASN 59 HN ASN 59 0.294 -6.521 -13.740 483 HA ASN 59 HA ASN 59 1.678 -4.614 -13.860 484 1HB ASN 59 HB2 ASN 59 -0.378 -3.921 -15.284 485 2HB ASN 59 HB1 ASN 59 -0.857 -2.999 -13.866 486 1HD2 ASN 59 HD21 ASN 59 2.206 -3.540 -15.713 487 2HD2 ASN 59 HD22 ASN 59 2.657 -1.903 -15.724 488 H PHE 60 HN PHE 60 0.482 -2.035 -12.547 489 HA PHE 60 HA PHE 60 -0.021 -2.708 -9.779 490 1HB PHE 60 HB2 PHE 60 2.321 -3.474 -10.043 491 2HB PHE 60 HB1 PHE 60 2.782 -1.857 -10.575 492 HD1 PHE 60 HD1 PHE 60 2.388 0.107 -8.975 493 HD2 PHE 60 HD2 PHE 60 2.193 -4.004 -7.743 494 HE1 PHE 60 HE1 PHE 60 2.670 0.801 -6.610 495 HE2 PHE 60 HE2 PHE 60 2.473 -3.309 -5.380 496 HZ PHE 60 HZ PHE 60 2.712 -0.907 -4.813 497 H GLU 61 HN GLU 61 1.197 -0.339 -12.113 498 HA GLU 61 HA GLU 61 0.866 1.994 -10.470 499 1HB GLU 61 HB2 GLU 61 0.832 1.521 -13.467 500 2HB GLU 61 HB1 GLU 61 0.911 3.119 -12.727 501 1HG GLU 61 HG2 GLU 61 2.988 2.440 -11.538 502 2HG GLU 61 HG1 GLU 61 2.927 0.884 -12.367 503 H GLU 62 HN GLU 62 -1.057 1.672 -13.416 504 HA GLU 62 HA GLU 62 -3.291 3.111 -12.675 505 1HB GLU 62 HB2 GLU 62 -2.570 1.603 -14.784 506 2HB GLU 62 HB1 GLU 62 -3.757 0.512 -14.068 507 1HG GLU 62 HG2 GLU 62 -5.255 2.656 -13.926 508 2HG GLU 62 HG1 GLU 62 -4.160 3.283 -15.159 509 H VAL 63 HN VAL 63 -2.614 -0.291 -11.861 510 HA VAL 63 HA VAL 63 -5.064 -0.992 -10.637 511 HB VAL 63 HB VAL 63 -2.241 -1.679 -9.753 512 1HG1 VAL 63 HG11 VAL 63 -3.766 -3.941 -9.527 513 2HG1 VAL 63 HG12 VAL 63 -4.942 -2.690 -9.122 514 3HG1 VAL 63 HG13 VAL 63 -3.444 -2.824 -8.200 515 1HG2 VAL 63 HG21 VAL 63 -3.531 -2.098 -12.269 516 2HG2 VAL 63 HG22 VAL 63 -3.416 -3.658 -11.453 517 3HG2 VAL 63 HG23 VAL 63 -1.961 -2.702 -11.738 518 H ALA 64 HN ALA 64 -2.270 0.777 -9.361 519 HA ALA 64 HA ALA 64 -3.179 1.006 -6.648 520 1HB ALA 64 HB1 ALA 64 -1.444 2.855 -8.321 521 2HB ALA 64 HB2 ALA 64 -0.868 1.391 -7.523 522 3HB ALA 64 HB3 ALA 64 -1.452 2.749 -6.560 523 H THR 65 HN THR 65 -3.308 3.352 -9.355 524 HA THR 65 HA THR 65 -4.676 5.464 -8.224 525 HB THR 65 HB THR 65 -5.829 4.672 -10.790 526 HG1 THR 65 HG1 THR 65 -3.463 4.929 -11.602 527 1HG2 THR 65 HG21 THR 65 -3.733 6.749 -10.633 528 2HG2 THR 65 HG22 THR 65 -5.104 6.986 -9.550 529 3HG2 THR 65 HG23 THR 65 -5.368 6.844 -11.288 530 H ARG 66 HN ARG 66 -5.998 2.285 -9.031 531 HA ARG 66 HA ARG 66 -8.754 3.154 -8.382 532 1HB ARG 66 HB2 ARG 66 -7.897 1.535 -10.257 533 2HB ARG 66 HB1 ARG 66 -7.848 0.342 -8.958 534 1HG ARG 66 HG2 ARG 66 -10.279 1.247 -8.458 535 2HG ARG 66 HG1 ARG 66 -10.212 1.753 -10.147 536 1HD ARG 66 HD2 ARG 66 -10.036 -0.455 -10.935 537 2HD ARG 66 HD1 ARG 66 -9.438 -1.060 -9.377 538 HE ARG 66 HE ARG 66 -12.213 0.030 -9.602 539 1HH1 ARG 66 HH21 ARG 66 -11.521 -2.914 -10.345 540 2HH1 ARG 66 HH22 ARG 66 -11.980 -3.710 -8.878 541 1HH2 ARG 66 HH11 ARG 66 -12.141 -0.785 -7.024 542 2HH2 ARG 66 HH12 ARG 66 -12.332 -2.507 -6.999 543 H VAL 67 HN VAL 67 -6.509 0.612 -7.269 544 HA VAL 67 HA VAL 67 -8.020 0.378 -4.723 545 HB VAL 67 HB VAL 67 -7.299 -1.580 -6.156 546 1HG1 VAL 67 HG11 VAL 67 -4.608 -1.760 -5.233 547 2HG1 VAL 67 HG12 VAL 67 -4.809 -0.178 -5.987 548 3HG1 VAL 67 HG13 VAL 67 -5.179 -1.643 -6.898 549 1HG2 VAL 67 HG21 VAL 67 -5.792 -1.892 -3.611 550 2HG2 VAL 67 HG22 VAL 67 -7.063 -2.905 -4.298 551 3HG2 VAL 67 HG23 VAL 67 -7.481 -1.406 -3.467 552 H SER 68 HN SER 68 -7.024 2.770 -4.499 553 HA SER 68 HA SER 68 -4.448 2.494 -2.976 554 1HB SER 68 HB2 SER 68 -4.167 4.922 -3.926 555 2HB SER 68 HB1 SER 68 -3.864 3.550 -4.993 556 HG SER 68 HG SER 68 -5.820 3.838 -5.927 557 H ASP 69 HN ASP 69 -4.158 4.520 -1.522 558 HA ASP 69 HA ASP 69 -6.475 4.803 0.202 559 1HB ASP 69 HB2 ASP 69 -4.122 4.802 0.964 560 2HB ASP 69 HB1 ASP 69 -3.832 6.292 0.064 561 H CYS 70 HN CYS 70 -7.810 5.636 -1.772 562 HA CYS 70 HA CYS 70 -8.769 7.421 -2.986 563 1HB CYS 70 HB2 CYS 70 -9.703 7.701 -0.775 564 2HB CYS 70 HB1 CYS 70 -8.235 8.493 -0.201 565 HG CYS 70 HG CYS 70 -9.545 10.541 -0.810 566 H SER 71 HN SER 71 -6.989 9.729 -1.037 567 HA SER 71 HA SER 71 -6.007 11.317 -3.118 568 1HB SER 71 HB2 SER 71 -5.933 11.711 -0.626 569 2HB SER 71 HB1 SER 71 -4.602 10.570 -0.532 570 HG SER 71 HG SER 71 -4.678 12.975 -2.047 571 H SER 72 HN SER 72 -4.414 8.579 -1.508 572 HA SER 72 HA SER 72 -2.026 8.442 -2.990 573 1HB SER 72 HB2 SER 72 -2.426 6.963 -1.131 574 2HB SER 72 HB1 SER 72 -3.899 6.337 -1.864 575 HG SER 72 HG SER 72 -1.496 6.110 -3.276 576 H ALA 73 HN ALA 73 -5.326 7.466 -3.899 577 HA ALA 73 HA ALA 73 -4.782 6.023 -6.269 578 1HB ALA 73 HB1 ALA 73 -7.017 6.718 -6.914 579 2HB ALA 73 HB2 ALA 73 -6.920 8.145 -5.886 580 3HB ALA 73 HB3 ALA 73 -7.017 6.540 -5.160 581 H LYS 74 HN LYS 74 -5.059 9.540 -5.776 582 HA LYS 74 HA LYS 74 -4.432 10.331 -8.461 583 1HB LYS 74 HB2 LYS 74 -5.350 11.737 -6.575 584 2HB LYS 74 HB1 LYS 74 -3.753 11.696 -5.827 585 1HG LYS 74 HG2 LYS 74 -3.273 12.445 -8.486 586 2HG LYS 74 HG1 LYS 74 -4.709 13.355 -8.016 587 1HD LYS 74 HD2 LYS 74 -2.079 13.269 -6.508 588 2HD LYS 74 HD1 LYS 74 -2.691 14.628 -7.452 589 1HE LYS 74 HE2 LYS 74 -4.804 14.368 -5.860 590 2HE LYS 74 HE1 LYS 74 -3.609 13.620 -4.781 591 1HZ LYS 74 HZ1 LYS 74 -3.725 16.357 -5.809 592 2HZ LYS 74 HZ2 LYS 74 -2.187 15.655 -5.634 593 3HZ LYS 74 HZ3 LYS 74 -3.218 15.793 -4.291 594 H ARG 75 HN ARG 75 -2.557 9.092 -5.844 595 HA ARG 75 HA ARG 75 0.006 9.466 -7.361 596 1HB ARG 75 HB2 ARG 75 -0.780 9.601 -4.446 597 2HB ARG 75 HB1 ARG 75 0.891 9.287 -4.902 598 1HG ARG 75 HG2 ARG 75 0.027 11.444 -6.507 599 2HG ARG 75 HG1 ARG 75 -0.536 11.795 -4.875 600 1HD ARG 75 HD2 ARG 75 1.690 11.618 -3.975 601 2HD ARG 75 HD1 ARG 75 2.315 10.955 -5.499 602 HE ARG 75 HE ARG 75 1.151 13.356 -6.252 603 1HH1 ARG 75 HH11 ARG 75 3.722 12.225 -4.272 604 2HH1 ARG 75 HH12 ARG 75 4.503 13.767 -4.166 605 1HH2 ARG 75 HH21 ARG 75 2.054 15.428 -5.975 606 2HH2 ARG 75 HH22 ARG 75 3.558 15.582 -5.131 607 H GLY 76 HN GLY 76 -1.830 7.252 -7.700 608 1HA GLY 76 HA2 GLY 76 -1.335 4.998 -6.074 609 2HA GLY 76 HA1 GLY 76 -1.835 4.913 -7.764 610 H GLY 77 HN GLY 77 0.706 6.620 -8.267 611 1HA GLY 77 HA2 GLY 77 2.354 4.471 -9.158 612 2HA GLY 77 HA1 GLY 77 2.888 6.145 -8.987 613 H ASP 78 HN ASP 78 4.119 6.704 -7.222 614 HA ASP 78 HA ASP 78 4.373 4.729 -5.018 615 1HB ASP 78 HB2 ASP 78 6.790 4.605 -5.359 616 2HB ASP 78 HB1 ASP 78 5.982 4.212 -6.877 617 H LEU 79 HN LEU 79 6.215 5.698 -3.467 618 HA LEU 79 HA LEU 79 5.267 8.351 -2.633 619 1HB LEU 79 HB2 LEU 79 7.485 6.562 -1.573 620 2HB LEU 79 HB1 LEU 79 6.700 7.876 -0.700 621 HG LEU 79 HG LEU 79 4.527 6.396 -1.368 622 1HD1 LEU 79 HD11 LEU 79 6.915 4.591 -1.369 623 2HD1 LEU 79 HD12 LEU 79 5.435 4.484 -2.323 624 3HD1 LEU 79 HD13 LEU 79 5.427 4.006 -0.628 625 1HD2 LEU 79 HD21 LEU 79 5.437 7.222 0.898 626 2HD2 LEU 79 HD22 LEU 79 6.226 5.651 1.014 627 3HD2 LEU 79 HD23 LEU 79 4.469 5.750 0.914 628 H GLY 80 HN GLY 80 8.471 6.955 -3.171 629 1HA GLY 80 HA2 GLY 80 9.883 8.125 -4.962 630 2HA GLY 80 HA1 GLY 80 9.484 9.601 -4.082 631 H SER 81 HN SER 81 10.249 9.842 -1.925 632 HA SER 81 HA SER 81 12.169 7.846 -0.887 633 1HB SER 81 HB2 SER 81 14.044 9.239 -1.057 634 2HB SER 81 HB1 SER 81 13.215 9.506 -2.585 635 HG SER 81 HG SER 81 13.864 11.305 -0.803 636 H PHE 82 HN PHE 82 12.064 7.875 1.354 637 HA PHE 82 HA PHE 82 11.589 10.327 2.858 638 1HB PHE 82 HB2 PHE 82 9.339 9.553 3.692 639 2HB PHE 82 HB1 PHE 82 9.356 9.944 1.975 640 HD1 PHE 82 HD1 PHE 82 9.541 8.098 0.275 641 HD2 PHE 82 HD2 PHE 82 8.893 7.327 4.449 642 HE1 PHE 82 HE1 PHE 82 8.793 5.802 -0.270 643 HE2 PHE 82 HE2 PHE 82 8.142 5.030 3.905 644 HZ PHE 82 HZ PHE 82 8.093 4.268 1.539 645 H GLY 83 HN GLY 83 10.197 8.614 4.987 646 1HA GLY 83 HA2 GLY 83 11.029 6.480 6.113 647 2HA GLY 83 HA1 GLY 83 12.645 7.124 5.835 648 H ARG 84 HN ARG 84 13.032 9.341 6.798 649 HA ARG 84 HA ARG 84 12.473 9.300 9.617 650 1HB ARG 84 HB2 ARG 84 13.757 11.106 7.610 651 2HB ARG 84 HB1 ARG 84 13.372 11.787 9.191 652 1HG ARG 84 HG2 ARG 84 15.683 10.787 9.036 653 2HG ARG 84 HG1 ARG 84 14.683 10.097 10.315 654 1HD ARG 84 HD2 ARG 84 14.241 8.118 9.040 655 2HD ARG 84 HD1 ARG 84 14.884 8.850 7.556 656 HE ARG 84 HE ARG 84 17.119 8.699 8.496 657 1HH1 ARG 84 HH21 ARG 84 15.595 8.790 11.323 658 2HH1 ARG 84 HH22 ARG 84 16.212 7.314 11.985 659 1HH2 ARG 84 HH11 ARG 84 17.500 6.191 8.967 660 2HH2 ARG 84 HH12 ARG 84 17.292 5.842 10.650 661 H GLY 85 HN GLY 85 10.867 10.794 6.877 662 1HA GLY 85 HA2 GLY 85 8.935 12.060 8.784 663 2HA GLY 85 HA1 GLY 85 9.354 12.788 7.232 664 H GLN 86 HN GLN 86 7.038 12.694 6.704 665 HA GLN 86 HA GLN 86 5.146 11.659 5.715 666 1HB GLN 86 HB2 GLN 86 7.292 9.681 4.886 667 2HB GLN 86 HB1 GLN 86 5.793 10.019 4.030 668 1HG GLN 86 HG2 GLN 86 7.991 12.035 4.512 669 2HG GLN 86 HG1 GLN 86 7.784 11.102 3.033 670 1HE2 GLN 86 HE21 GLN 86 4.670 11.430 3.734 671 2HE2 GLN 86 HE22 GLN 86 4.324 12.948 3.065 672 H MET 87 HN MET 87 5.991 8.523 5.422 673 HA MET 87 HA MET 87 4.138 7.285 7.016 674 1HB MET 87 HB2 MET 87 6.787 6.740 5.766 675 2HB MET 87 HB1 MET 87 6.154 5.498 6.864 676 1HG MET 87 HG2 MET 87 5.506 5.274 4.390 677 2HG MET 87 HG1 MET 87 4.178 5.213 5.546 678 1HE MET 87 HE1 MET 87 6.307 8.203 3.723 679 2HE MET 87 HE2 MET 87 5.182 8.290 2.376 680 3HE MET 87 HE3 MET 87 5.958 6.759 2.768 681 H GLN 88 HN GLN 88 4.835 5.758 8.947 682 HA GLN 88 HA GLN 88 6.541 7.323 10.854 683 1HB GLN 88 HB2 GLN 88 3.904 5.881 11.279 684 2HB GLN 88 HB1 GLN 88 4.853 6.619 12.570 685 1HG GLN 88 HG2 GLN 88 4.046 8.661 12.084 686 2HG GLN 88 HG1 GLN 88 4.494 8.488 10.387 687 1HE2 GLN 88 HE21 GLN 88 2.113 9.783 10.794 688 2HE2 GLN 88 HE22 GLN 88 0.797 8.771 10.438 689 H LYS 89 HN LYS 89 5.477 4.878 12.642 690 HA LYS 89 HA LYS 89 7.919 3.317 12.349 691 1HB LYS 89 HB2 LYS 89 7.055 3.807 14.525 692 2HB LYS 89 HB1 LYS 89 5.454 3.208 14.095 693 1HG LYS 89 HG2 LYS 89 6.240 0.941 13.984 694 2HG LYS 89 HG1 LYS 89 7.923 1.457 14.108 695 1HD LYS 89 HD2 LYS 89 7.451 0.800 16.306 696 2HD LYS 89 HD1 LYS 89 7.152 2.538 16.366 697 1HE LYS 89 HE2 LYS 89 4.729 1.334 15.488 698 2HE LYS 89 HE1 LYS 89 5.293 0.407 16.892 699 1HZ LYS 89 HZ1 LYS 89 4.580 3.236 16.701 700 2HZ LYS 89 HZ2 LYS 89 5.882 2.832 17.718 701 3HZ LYS 89 HZ3 LYS 89 4.349 2.148 17.982 702 HA PRO 90 HA PRO 90 4.696 -0.022 11.077 703 1HB PRO 90 HB2 PRO 90 2.513 0.849 9.678 704 2HB PRO 90 HB1 PRO 90 2.522 0.626 11.438 705 1HG PRO 90 HG2 PRO 90 2.768 3.120 9.845 706 2HG PRO 90 HG1 PRO 90 1.938 2.838 11.382 707 1HD PRO 90 HD2 PRO 90 4.372 4.048 11.158 708 2HD PRO 90 HD1 PRO 90 3.834 3.181 12.613 709 H PHE 91 HN PHE 91 3.983 2.475 8.582 710 HA PHE 91 HA PHE 91 4.684 0.840 6.391 711 1HB PHE 91 HB2 PHE 91 3.468 2.961 6.193 712 2HB PHE 91 HB1 PHE 91 4.890 3.848 6.740 713 HD1 PHE 91 HD1 PHE 91 7.130 3.263 5.344 714 HD2 PHE 91 HD2 PHE 91 3.120 2.814 3.883 715 HE1 PHE 91 HE1 PHE 91 7.983 3.253 3.057 716 HE2 PHE 91 HE2 PHE 91 3.991 2.840 1.548 717 HZ PHE 91 HZ PHE 91 6.421 3.062 1.139 718 H GLU 92 HN GLU 92 6.708 3.388 7.859 719 HA GLU 92 HA GLU 92 9.044 3.174 6.473 720 1HB GLU 92 HB2 GLU 92 8.652 4.641 8.408 721 2HB GLU 92 HB1 GLU 92 8.716 3.249 9.489 722 1HG GLU 92 HG2 GLU 92 11.068 2.854 8.384 723 2HG GLU 92 HG1 GLU 92 10.945 4.564 7.967 724 H GLU 93 HN GLU 93 8.778 1.256 9.487 725 HA GLU 93 HA GLU 93 10.916 -0.473 8.964 726 1HB GLU 93 HB2 GLU 93 10.032 -1.748 10.726 727 2HB GLU 93 HB1 GLU 93 9.300 -0.168 11.000 728 1HG GLU 93 HG2 GLU 93 7.254 -0.891 9.869 729 2HG GLU 93 HG1 GLU 93 7.981 -2.456 9.508 730 H ALA 94 HN ALA 94 7.805 -0.363 7.413 731 HA ALA 94 HA ALA 94 7.777 -3.070 6.380 732 1HB ALA 94 HB1 ALA 94 5.960 -1.125 6.595 733 2HB ALA 94 HB2 ALA 94 5.835 -2.336 5.319 734 3HB ALA 94 HB3 ALA 94 6.516 -0.749 4.964 735 H THR 95 HN THR 95 8.449 0.058 4.767 736 HA THR 95 HA THR 95 9.572 -1.217 2.416 737 HB THR 95 HB THR 95 9.868 1.605 3.506 738 HG1 THR 95 HG1 THR 95 7.699 0.461 2.959 739 1HG2 THR 95 HG21 THR 95 9.946 0.709 0.625 740 2HG2 THR 95 HG22 THR 95 11.405 0.798 1.612 741 3HG2 THR 95 HG23 THR 95 10.459 2.254 1.301 742 H TYR 96 HN TYR 96 10.821 -0.082 5.484 743 HA TYR 96 HA TYR 96 13.631 -0.148 4.764 744 1HB TYR 96 HB2 TYR 96 11.892 0.121 7.160 745 2HB TYR 96 HB1 TYR 96 13.519 -0.485 7.462 746 HD1 TYR 96 HD1 TYR 96 11.503 2.404 6.630 747 HD2 TYR 96 HD2 TYR 96 15.509 0.854 6.638 748 HE1 TYR 96 HE1 TYR 96 12.396 4.710 6.422 749 HE2 TYR 96 HE2 TYR 96 16.401 3.160 6.427 750 HH TYR 96 HH TYR 96 14.353 5.870 5.751 751 H ALA 97 HN ALA 97 11.215 -2.484 5.638 752 HA ALA 97 HA ALA 97 13.178 -4.576 6.365 753 1HB ALA 97 HB1 ALA 97 10.978 -5.862 6.623 754 2HB ALA 97 HB2 ALA 97 10.161 -4.355 6.207 755 3HB ALA 97 HB3 ALA 97 11.160 -4.446 7.658 756 H LEU 98 HN LEU 98 10.492 -4.280 3.991 757 HA LEU 98 HA LEU 98 11.802 -6.374 2.328 758 1HB LEU 98 HB2 LEU 98 9.266 -6.104 3.072 759 2HB LEU 98 HB1 LEU 98 9.200 -5.039 1.667 760 HG LEU 98 HG LEU 98 10.487 -7.735 1.393 761 1HD1 LEU 98 HD11 LEU 98 7.741 -7.289 2.160 762 2HD1 LEU 98 HD12 LEU 98 8.572 -8.815 1.863 763 3HD1 LEU 98 HD13 LEU 98 7.806 -7.955 0.529 764 1HD2 LEU 98 HD21 LEU 98 10.473 -5.895 -0.389 765 2HD2 LEU 98 HD22 LEU 98 8.736 -6.172 -0.518 766 3HD2 LEU 98 HD23 LEU 98 9.867 -7.470 -0.901 767 H LYS 99 HN LYS 99 12.848 -5.858 0.436 768 HA LYS 99 HA LYS 99 12.738 -3.005 -0.462 769 1HB LYS 99 HB2 LYS 99 14.795 -5.070 -0.131 770 2HB LYS 99 HB1 LYS 99 14.879 -4.269 -1.701 771 1HG LYS 99 HG2 LYS 99 15.679 -2.375 -0.779 772 2HG LYS 99 HG1 LYS 99 14.392 -2.351 0.426 773 1HD LYS 99 HD2 LYS 99 16.224 -4.484 1.042 774 2HD LYS 99 HD1 LYS 99 17.125 -2.981 0.837 775 1HE LYS 99 HE2 LYS 99 15.931 -1.886 2.561 776 2HE LYS 99 HE1 LYS 99 14.609 -3.070 2.514 777 1HZ LYS 99 HZ1 LYS 99 16.019 -3.617 4.348 778 2HZ LYS 99 HZ2 LYS 99 17.411 -3.551 3.376 779 3HZ LYS 99 HZ3 LYS 99 16.266 -4.785 3.143 780 H VAL 100 HN VAL 100 13.327 -6.212 -1.969 781 HA VAL 100 HA VAL 100 11.166 -5.777 -3.915 782 HB VAL 100 HB VAL 100 14.103 -5.459 -4.531 783 1HG1 VAL 100 HG11 VAL 100 13.715 -6.903 -6.280 784 2HG1 VAL 100 HG12 VAL 100 13.019 -5.451 -7.000 785 3HG1 VAL 100 HG13 VAL 100 11.971 -6.647 -6.238 786 1HG2 VAL 100 HG21 VAL 100 13.117 -3.361 -4.298 787 2HG2 VAL 100 HG22 VAL 100 11.559 -3.915 -4.910 788 3HG2 VAL 100 HG23 VAL 100 12.899 -3.646 -6.025 789 H GLY 101 HN GLY 101 10.391 -7.845 -3.324 790 1HA GLY 101 HA2 GLY 101 10.994 -10.116 -4.666 791 2HA GLY 101 HA1 GLY 101 12.211 -10.156 -3.391 792 H ASP 102 HN ASP 102 8.825 -9.087 -3.302 793 HA ASP 102 HA ASP 102 7.709 -11.348 -1.997 794 1HB ASP 102 HB2 ASP 102 9.444 -9.606 -0.393 795 2HB ASP 102 HB1 ASP 102 7.845 -9.823 0.319 796 H ILE 103 HN ILE 103 7.788 -7.865 -2.402 797 HA ILE 103 HA ILE 103 6.044 -6.326 -2.771 798 HB ILE 103 HB ILE 103 4.270 -8.781 -2.780 799 1HG1 ILE 103 HG12 ILE 103 6.151 -7.679 -4.881 800 2HG1 ILE 103 HG11 ILE 103 6.056 -9.329 -4.268 801 1HG2 ILE 103 HG21 ILE 103 2.698 -7.432 -3.716 802 2HG2 ILE 103 HG22 ILE 103 3.886 -6.573 -4.696 803 3HG2 ILE 103 HG23 ILE 103 3.644 -6.122 -3.009 804 1HD1 ILE 103 HD11 ILE 103 4.633 -9.829 -5.943 805 2HD1 ILE 103 HD12 ILE 103 4.627 -8.148 -6.474 806 3HD1 ILE 103 HD13 ILE 103 3.475 -8.691 -5.255 807 H SER 104 HN SER 104 6.814 -6.541 -0.163 808 HA SER 104 HA SER 104 6.080 -6.439 2.105 809 1HB SER 104 HB2 SER 104 5.452 -4.282 1.910 810 2HB SER 104 HB1 SER 104 4.888 -4.555 0.265 811 HG SER 104 HG SER 104 2.932 -5.328 1.152 812 H ASP 105 HN ASP 105 5.286 -8.431 2.858 813 HA ASP 105 HA ASP 105 3.124 -9.970 2.143 814 1HB ASP 105 HB2 ASP 105 3.999 -9.125 4.924 815 2HB ASP 105 HB1 ASP 105 2.994 -10.534 4.582 816 H ILE 106 HN ILE 106 2.581 -7.914 4.974 817 HA ILE 106 HA ILE 106 0.131 -6.779 3.699 818 HB ILE 106 HB ILE 106 -0.668 -7.263 6.296 819 1HG1 ILE 106 HG12 ILE 106 1.541 -8.799 6.241 820 2HG1 ILE 106 HG11 ILE 106 0.092 -9.277 7.117 821 1HG2 ILE 106 HG21 ILE 106 -1.077 -9.063 3.894 822 2HG2 ILE 106 HG22 ILE 106 -1.970 -7.578 4.222 823 3HG2 ILE 106 HG23 ILE 106 -2.128 -8.961 5.306 824 1HD1 ILE 106 HD11 ILE 106 -0.658 -10.578 5.138 825 2HD1 ILE 106 HD12 ILE 106 0.897 -11.145 5.747 826 3HD1 ILE 106 HD13 ILE 106 0.831 -10.136 4.301 827 H VAL 107 HN VAL 107 0.055 -4.602 4.089 828 HA VAL 107 HA VAL 107 1.668 -3.540 6.387 829 HB VAL 107 HB VAL 107 0.994 -2.244 3.728 830 1HG1 VAL 107 HG11 VAL 107 2.101 -0.415 4.482 831 2HG1 VAL 107 HG12 VAL 107 3.372 -1.388 5.222 832 3HG1 VAL 107 HG13 VAL 107 1.864 -1.101 6.090 833 1HG2 VAL 107 HG21 VAL 107 3.630 -3.475 4.573 834 2HG2 VAL 107 HG22 VAL 107 3.182 -2.884 2.973 835 3HG2 VAL 107 HG23 VAL 107 2.433 -4.346 3.614 836 H ASP 108 HN ASP 108 -0.255 -3.623 7.778 837 HA ASP 108 HA ASP 108 -2.646 -2.106 6.994 838 1HB ASP 108 HB2 ASP 108 -3.293 -2.724 9.378 839 2HB ASP 108 HB1 ASP 108 -2.950 -4.080 8.302 840 H THR 109 HN THR 109 -2.413 0.087 6.946 841 HA THR 109 HA THR 109 -1.390 1.435 9.410 842 HB THR 109 HB THR 109 -0.079 2.950 7.965 843 HG1 THR 109 HG1 THR 109 -0.849 3.054 6.018 844 1HG2 THR 109 HG21 THR 109 0.878 0.735 8.775 845 2HG2 THR 109 HG22 THR 109 1.673 1.432 7.363 846 3HG2 THR 109 HG23 THR 109 0.536 0.098 7.167 847 H ASP 110 HN ASP 110 -1.665 4.058 8.168 848 HA ASP 110 HA ASP 110 -4.286 4.796 8.711 849 1HB ASP 110 HB2 ASP 110 -2.416 6.327 8.195 850 2HB ASP 110 HB1 ASP 110 -2.458 5.813 6.508 851 H SER 111 HN SER 111 -6.164 5.147 7.299 852 HA SER 111 HA SER 111 -7.631 4.601 5.520 853 1HB SER 111 HB2 SER 111 -4.994 4.694 4.460 854 2HB SER 111 HB1 SER 111 -5.781 3.280 3.766 855 HG SER 111 HG SER 111 -6.741 4.668 2.521 856 H GLY 112 HN GLY 112 -5.126 2.044 5.765 857 1HA GLY 112 HA2 GLY 112 -6.650 0.083 7.022 858 2HA GLY 112 HA1 GLY 112 -7.058 -0.068 5.314 859 H VAL 113 HN VAL 113 -5.822 -1.518 4.245 860 HA VAL 113 HA VAL 113 -3.060 -2.058 5.275 861 HB VAL 113 HB VAL 113 -3.514 -4.291 4.060 862 1HG1 VAL 113 HG11 VAL 113 -5.549 -4.361 6.094 863 2HG1 VAL 113 HG12 VAL 113 -4.218 -3.341 6.642 864 3HG1 VAL 113 HG13 VAL 113 -3.911 -5.009 6.156 865 1HG2 VAL 113 HG21 VAL 113 -6.386 -3.415 4.346 866 2HG2 VAL 113 HG22 VAL 113 -5.750 -4.817 3.487 867 3HG2 VAL 113 HG23 VAL 113 -5.504 -3.197 2.835 868 H HIS 114 HN HIS 114 -1.427 -1.479 3.935 869 HA HIS 114 HA HIS 114 -2.071 -0.984 1.050 870 1HB HIS 114 HB2 HIS 114 0.193 0.061 2.779 871 2HB HIS 114 HB1 HIS 114 -0.238 0.620 1.164 872 HD1 HIS 114 HD1 HIS 114 -1.271 2.863 1.424 873 HD2 HIS 114 HD2 HIS 114 -2.590 0.224 4.368 874 HE1 HIS 114 HE1 HIS 114 -2.993 4.119 2.787 875 H ILE 115 HN ILE 115 0.085 -1.165 -0.279 876 HA ILE 115 HA ILE 115 1.735 -3.491 0.589 877 HB ILE 115 HB ILE 115 1.368 -4.350 -1.812 878 1HG1 ILE 115 HG12 ILE 115 -1.232 -2.911 -1.813 879 2HG1 ILE 115 HG11 ILE 115 0.189 -1.942 -2.206 880 1HG2 ILE 115 HG21 ILE 115 -1.244 -4.806 -0.955 881 2HG2 ILE 115 HG22 ILE 115 -0.364 -4.482 0.538 882 3HG2 ILE 115 HG23 ILE 115 0.168 -5.777 -0.534 883 1HD1 ILE 115 HD11 ILE 115 -1.142 -3.397 -4.054 884 2HD1 ILE 115 HD12 ILE 115 0.018 -4.607 -3.508 885 3HD1 ILE 115 HD13 ILE 115 0.588 -3.070 -4.161 886 H ILE 116 HN ILE 116 3.737 -2.519 0.570 887 HA ILE 116 HA ILE 116 4.382 -0.349 -1.288 888 HB ILE 116 HB ILE 116 5.720 -1.852 0.951 889 1HG1 ILE 116 HG12 ILE 116 5.903 0.895 1.323 890 2HG1 ILE 116 HG11 ILE 116 4.336 0.688 0.543 891 1HG2 ILE 116 HG21 ILE 116 7.649 -0.218 0.635 892 2HG2 ILE 116 HG22 ILE 116 7.001 0.102 -0.974 893 3HG2 ILE 116 HG23 ILE 116 7.555 -1.518 -0.552 894 1HD1 ILE 116 HD11 ILE 116 4.021 0.499 2.941 895 2HD1 ILE 116 HD12 ILE 116 5.310 -0.699 3.056 896 3HD1 ILE 116 HD13 ILE 116 3.805 -1.099 2.227 897 H LYS 117 HN LYS 117 6.347 -0.459 -2.659 898 HA LYS 117 HA LYS 117 7.614 -2.936 -3.386 899 1HB LYS 117 HB2 LYS 117 5.455 -3.547 -4.258 900 2HB LYS 117 HB1 LYS 117 5.248 -1.965 -5.015 901 1HG LYS 117 HG2 LYS 117 7.154 -2.427 -6.512 902 2HG LYS 117 HG1 LYS 117 7.367 -4.007 -5.758 903 1HD LYS 117 HD2 LYS 117 4.620 -3.501 -6.673 904 2HD LYS 117 HD1 LYS 117 5.809 -3.519 -7.976 905 1HE LYS 117 HE2 LYS 117 6.354 -5.684 -6.131 906 2HE LYS 117 HE1 LYS 117 4.678 -5.773 -6.709 907 1HZ LYS 117 HZ1 LYS 117 6.436 -6.791 -8.206 908 2HZ LYS 117 HZ2 LYS 117 6.945 -5.202 -8.529 909 3HZ LYS 117 HZ3 LYS 117 5.369 -5.692 -8.935 910 H ARG 118 HN ARG 118 9.553 -2.190 -4.156 911 HA ARG 118 HA ARG 118 9.687 0.535 -5.334 912 1HB ARG 118 HB2 ARG 118 11.218 -0.067 -3.527 913 2HB ARG 118 HB1 ARG 118 11.765 -1.483 -4.424 914 1HG ARG 118 HG2 ARG 118 12.704 -0.070 -6.173 915 2HG ARG 118 HG1 ARG 118 12.056 1.375 -5.396 916 1HD ARG 118 HD2 ARG 118 13.508 1.076 -3.474 917 2HD ARG 118 HD1 ARG 118 14.059 -0.498 -4.085 918 HE ARG 118 HE ARG 118 15.047 2.054 -4.981 919 1HH1 ARG 118 HH21 ARG 118 16.389 -0.657 -5.303 920 2HH1 ARG 118 HH22 ARG 118 16.389 -0.832 -7.026 921 1HH2 ARG 118 HH11 ARG 118 14.031 1.658 -7.545 922 2HH2 ARG 118 HH12 ARG 118 15.052 0.478 -8.295 923 H THR 119 HN THR 119 11.846 -2.118 -6.160 924 HA THR 119 HA THR 119 11.386 -1.604 -9.032 925 HB THR 119 HB THR 119 13.257 -3.722 -8.253 926 HG1 THR 119 HG1 THR 119 13.932 -1.147 -7.374 927 1HG2 THR 119 HG21 THR 119 13.658 -1.017 -9.560 928 2HG2 THR 119 HG22 THR 119 13.234 -2.496 -10.423 929 3HG2 THR 119 HG23 THR 119 14.786 -2.372 -9.594 930 H ALA 120 HN ALA 120 10.989 -4.213 -6.659 931 HA ALA 120 HA ALA 120 8.855 -5.435 -8.136 932 1HB ALA 120 HB1 ALA 120 10.012 -6.716 -9.590 933 2HB ALA 120 HB2 ALA 120 10.921 -7.434 -8.260 934 3HB ALA 120 HB3 ALA 120 11.500 -5.956 -9.029 Start of MODEL 18 1 1H HIS 1 HT1 HIS 1 24.446 9.556 7.517 2 2H HIS 1 HT2 HIS 1 23.800 11.034 6.982 3 3H HIS 1 HT3 HIS 1 22.843 9.965 7.892 4 HA HIS 1 HA HIS 1 23.639 10.705 9.842 5 1HB HIS 1 HB2 HIS 1 26.090 10.932 10.140 6 2HB HIS 1 HB1 HIS 1 25.688 9.423 9.322 7 HD1 HIS 1 HD1 HIS 1 27.595 12.543 8.911 8 HD2 HIS 1 HD2 HIS 1 26.129 9.545 6.411 9 HE1 HIS 1 HE1 HIS 1 28.807 12.796 6.699 10 H MET 2 HN MET 2 22.590 12.454 7.752 11 HA MET 2 HA MET 2 23.201 15.023 8.891 12 1HB MET 2 HB2 MET 2 25.321 14.829 7.830 13 2HB MET 2 HB1 MET 2 24.612 14.148 6.365 14 1HG MET 2 HG2 MET 2 23.476 16.756 6.999 15 2HG MET 2 HG1 MET 2 25.227 16.836 6.798 16 1HE MET 2 HE1 MET 2 25.126 17.725 3.272 17 2HE MET 2 HE2 MET 2 26.133 17.471 4.695 18 3HE MET 2 HE3 MET 2 24.691 18.477 4.812 19 H ALA 3 HN ALA 3 22.583 13.841 5.558 20 HA ALA 3 HA ALA 3 19.772 14.393 5.566 21 1HB ALA 3 HB1 ALA 3 19.656 16.608 4.975 22 2HB ALA 3 HB2 ALA 3 21.134 16.531 4.017 23 3HB ALA 3 HB3 ALA 3 21.228 16.678 5.771 24 H SER 4 HN SER 4 18.862 14.230 3.352 25 HA SER 4 HA SER 4 18.794 13.011 1.314 26 1HB SER 4 HB2 SER 4 21.071 13.952 0.054 27 2HB SER 4 HB1 SER 4 19.532 14.804 0.133 28 HG SER 4 HG SER 4 21.227 16.101 0.909 29 H ARG 5 HN ARG 5 19.376 10.985 2.639 30 HA ARG 5 HA ARG 5 22.138 10.011 2.009 31 1HB ARG 5 HB2 ARG 5 21.592 8.364 3.831 32 2HB ARG 5 HB1 ARG 5 21.532 10.042 4.372 33 1HG ARG 5 HG2 ARG 5 19.171 10.084 4.376 34 2HG ARG 5 HG1 ARG 5 19.058 8.647 3.359 35 1HD ARG 5 HD2 ARG 5 19.011 7.319 5.193 36 2HD ARG 5 HD1 ARG 5 20.537 8.020 5.769 37 HE ARG 5 HE ARG 5 17.933 9.441 6.180 38 1HH1 ARG 5 HH11 ARG 5 21.181 9.439 6.949 39 2HH1 ARG 5 HH12 ARG 5 20.967 9.571 8.662 40 1HH2 ARG 5 HH21 ARG 5 17.538 9.068 8.539 41 2HH2 ARG 5 HH22 ARG 5 18.904 9.359 9.563 42 H ASP 6 HN ASP 6 21.443 7.241 2.353 43 HA ASP 6 HA ASP 6 20.815 6.411 -0.250 44 1HB ASP 6 HB2 ASP 6 20.592 4.250 0.755 45 2HB ASP 6 HB1 ASP 6 21.755 5.129 1.738 46 H GLN 7 HN GLN 7 18.622 6.754 2.515 47 HA GLN 7 HA GLN 7 16.266 6.996 2.591 48 1HB GLN 7 HB2 GLN 7 17.271 8.576 0.589 49 2HB GLN 7 HB1 GLN 7 16.114 7.588 -0.303 50 1HG GLN 7 HG2 GLN 7 14.413 8.799 0.527 51 2HG GLN 7 HG1 GLN 7 14.904 8.383 2.169 52 1HE2 GLN 7 HE21 GLN 7 15.001 10.334 3.309 53 2HE2 GLN 7 HE22 GLN 7 15.776 11.739 2.754 54 H VAL 8 HN VAL 8 14.287 5.877 1.854 55 HA VAL 8 HA VAL 8 14.923 3.349 0.362 56 HB VAL 8 HB VAL 8 14.333 2.827 2.595 57 1HG1 VAL 8 HG11 VAL 8 12.158 3.871 3.551 58 2HG1 VAL 8 HG12 VAL 8 12.342 5.063 2.267 59 3HG1 VAL 8 HG13 VAL 8 13.602 4.882 3.489 60 1HG2 VAL 8 HG21 VAL 8 11.569 2.771 1.413 61 2HG2 VAL 8 HG22 VAL 8 12.403 1.531 2.349 62 3HG2 VAL 8 HG23 VAL 8 12.845 1.810 0.665 63 H LYS 9 HN LYS 9 14.332 4.036 -1.768 64 HA LYS 9 HA LYS 9 11.837 5.447 -2.293 65 1HB LYS 9 HB2 LYS 9 13.827 3.924 -4.005 66 2HB LYS 9 HB1 LYS 9 12.450 4.807 -4.657 67 1HG LYS 9 HG2 LYS 9 13.620 6.626 -2.931 68 2HG LYS 9 HG1 LYS 9 15.001 5.837 -3.677 69 1HD LYS 9 HD2 LYS 9 12.846 7.505 -4.940 70 2HD LYS 9 HD1 LYS 9 14.586 7.567 -5.182 71 1HE LYS 9 HE2 LYS 9 12.647 5.506 -6.275 72 2HE LYS 9 HE1 LYS 9 13.682 6.619 -7.185 73 1HZ LYS 9 HZ1 LYS 9 15.500 5.470 -5.650 74 2HZ LYS 9 HZ2 LYS 9 15.070 4.844 -7.170 75 3HZ LYS 9 HZ3 LYS 9 14.404 4.180 -5.756 76 H ALA 10 HN ALA 10 9.957 4.428 -3.431 77 HA ALA 10 HA ALA 10 9.756 1.592 -3.858 78 1HB ALA 10 HB1 ALA 10 8.196 2.156 -1.430 79 2HB ALA 10 HB2 ALA 10 9.939 2.280 -1.194 80 3HB ALA 10 HB3 ALA 10 9.236 0.781 -1.801 81 H SER 11 HN SER 11 7.392 0.866 -3.914 82 HA SER 11 HA SER 11 5.583 3.143 -4.627 83 1HB SER 11 HB2 SER 11 5.000 2.009 -6.595 84 2HB SER 11 HB1 SER 11 6.693 1.549 -6.438 85 HG SER 11 HG SER 11 4.595 -0.029 -6.516 86 H HIS 12 HN HIS 12 3.157 1.881 -4.842 87 HA HIS 12 HA HIS 12 2.766 -0.257 -2.940 88 1HB HIS 12 HB2 HIS 12 2.841 0.844 -0.967 89 2HB HIS 12 HB1 HIS 12 3.501 2.209 -1.852 90 HD1 HIS 12 HD1 HIS 12 1.796 4.101 -2.568 91 HD2 HIS 12 HD2 HIS 12 0.197 1.179 -0.062 92 HE1 HIS 12 HE1 HIS 12 -0.400 5.020 -1.705 93 H ILE 13 HN ILE 13 0.414 -0.351 -2.156 94 HA ILE 13 HA ILE 13 -1.548 1.062 -3.889 95 HB ILE 13 HB ILE 13 -1.012 -1.924 -3.794 96 1HG1 ILE 13 HG12 ILE 13 -0.969 0.247 -5.884 97 2HG1 ILE 13 HG11 ILE 13 0.242 -0.987 -5.549 98 1HG2 ILE 13 HG21 ILE 13 -3.092 -2.171 -5.130 99 2HG2 ILE 13 HG22 ILE 13 -3.426 -0.461 -4.889 100 3HG2 ILE 13 HG23 ILE 13 -3.428 -1.561 -3.512 101 1HD1 ILE 13 HD11 ILE 13 -1.401 -2.719 -6.374 102 2HD1 ILE 13 HD12 ILE 13 -0.880 -1.584 -7.620 103 3HD1 ILE 13 HD13 ILE 13 -2.463 -1.399 -6.865 104 H LEU 14 HN LEU 14 -3.867 0.370 -3.131 105 HA LEU 14 HA LEU 14 -3.880 -0.401 -0.231 106 1HB LEU 14 HB2 LEU 14 -3.954 2.033 -0.391 107 2HB LEU 14 HB1 LEU 14 -5.258 1.948 -1.576 108 HG LEU 14 HG LEU 14 -6.527 0.608 0.260 109 1HD1 LEU 14 HD11 LEU 14 -4.251 0.647 1.613 110 2HD1 LEU 14 HD12 LEU 14 -5.799 0.743 2.454 111 3HD1 LEU 14 HD13 LEU 14 -4.861 2.208 2.162 112 1HD2 LEU 14 HD21 LEU 14 -7.575 2.593 0.997 113 2HD2 LEU 14 HD22 LEU 14 -6.892 3.043 -0.564 114 3HD2 LEU 14 HD23 LEU 14 -6.074 3.518 0.925 115 H ILE 15 HN ILE 15 -5.890 -1.397 0.462 116 HA ILE 15 HA ILE 15 -7.752 -2.122 -1.777 117 HB ILE 15 HB ILE 15 -6.172 -3.740 0.128 118 1HG1 ILE 15 HG12 ILE 15 -7.351 -3.934 -2.622 119 2HG1 ILE 15 HG11 ILE 15 -5.684 -4.170 -2.102 120 1HG2 ILE 15 HG21 ILE 15 -8.407 -4.037 1.141 121 2HG2 ILE 15 HG22 ILE 15 -7.881 -5.519 0.342 122 3HG2 ILE 15 HG23 ILE 15 -9.068 -4.472 -0.436 123 1HD1 ILE 15 HD11 ILE 15 -6.460 -6.348 -2.653 124 2HD1 ILE 15 HD12 ILE 15 -8.008 -6.085 -1.852 125 3HD1 ILE 15 HD13 ILE 15 -6.542 -6.280 -0.893 126 H LYS 16 HN LYS 16 -7.402 -0.741 1.326 127 HA LYS 16 HA LYS 16 -9.040 0.226 2.740 128 1HB LYS 16 HB2 LYS 16 -10.123 0.186 0.247 129 2HB LYS 16 HB1 LYS 16 -11.276 -0.838 1.105 130 1HG LYS 16 HG2 LYS 16 -10.882 1.228 2.890 131 2HG LYS 16 HG1 LYS 16 -10.815 2.056 1.333 132 1HD LYS 16 HD2 LYS 16 -13.040 0.238 2.305 133 2HD LYS 16 HD1 LYS 16 -13.129 1.989 2.118 134 1HE LYS 16 HE2 LYS 16 -13.517 1.823 -0.114 135 2HE LYS 16 HE1 LYS 16 -12.222 0.628 -0.324 136 1HZ LYS 16 HZ1 LYS 16 -13.736 -0.978 0.845 137 2HZ LYS 16 HZ2 LYS 16 -14.235 -0.518 -0.713 138 3HZ LYS 16 HZ3 LYS 16 -14.980 0.159 0.657 139 H HIS 17 HN HIS 17 -10.581 -0.496 4.377 140 HA HIS 17 HA HIS 17 -11.701 -3.131 4.508 141 1HB HIS 17 HB2 HIS 17 -10.074 -4.193 5.998 142 2HB HIS 17 HB1 HIS 17 -9.267 -3.689 4.518 143 HD1 HIS 17 HD1 HIS 17 -9.637 -0.576 5.951 144 HD2 HIS 17 HD2 HIS 17 -7.302 -3.840 7.073 145 HE1 HIS 17 HE1 HIS 17 -7.766 0.340 7.386 146 H GLN 18 HN GLN 18 -11.004 -3.399 7.422 147 HA GLN 18 HA GLN 18 -13.024 -1.509 8.445 148 1HB GLN 18 HB2 GLN 18 -11.683 -4.032 9.240 149 2HB GLN 18 HB1 GLN 18 -12.154 -2.975 10.571 150 1HG GLN 18 HG2 GLN 18 -14.220 -3.236 8.498 151 2HG GLN 18 HG1 GLN 18 -13.834 -4.756 9.307 152 1HE2 GLN 18 HE21 GLN 18 -16.206 -2.739 9.556 153 2HE2 GLN 18 HE22 GLN 18 -16.337 -2.500 11.232 154 H GLY 19 HN GLY 19 -10.894 0.028 7.684 155 1HA GLY 19 HA2 GLY 19 -9.141 0.422 10.039 156 2HA GLY 19 HA1 GLY 19 -8.973 1.234 8.482 157 H SER 20 HN SER 20 -9.545 3.349 8.513 158 HA SER 20 HA SER 20 -11.909 4.207 10.086 159 1HB SER 20 HB2 SER 20 -9.264 5.617 10.430 160 2HB SER 20 HB1 SER 20 -10.684 5.680 11.470 161 HG SER 20 HG SER 20 -8.818 3.583 11.116 162 H ARG 21 HN ARG 21 -11.670 4.095 7.301 163 HA ARG 21 HA ARG 21 -11.544 7.004 6.588 164 1HB ARG 21 HB2 ARG 21 -10.253 4.585 5.363 165 2HB ARG 21 HB1 ARG 21 -10.711 5.927 4.313 166 1HG ARG 21 HG2 ARG 21 -9.041 6.263 6.818 167 2HG ARG 21 HG1 ARG 21 -8.352 6.066 5.206 168 1HD ARG 21 HD2 ARG 21 -10.386 8.082 5.057 169 2HD ARG 21 HD1 ARG 21 -9.295 8.477 6.400 170 HE ARG 21 HE ARG 21 -8.574 8.566 3.616 171 1HH1 ARG 21 HH11 ARG 21 -7.466 8.567 6.812 172 2HH1 ARG 21 HH12 ARG 21 -5.798 8.332 6.408 173 1HH2 ARG 21 HH21 ARG 21 -6.413 7.841 3.031 174 2HH2 ARG 21 HH22 ARG 21 -5.202 7.920 4.267 175 H ARG 22 HN ARG 22 -12.563 7.099 4.162 176 HA ARG 22 HA ARG 22 -15.246 5.822 4.414 177 1HB ARG 22 HB2 ARG 22 -14.180 8.075 2.678 178 2HB ARG 22 HB1 ARG 22 -15.873 7.598 2.806 179 1HG ARG 22 HG2 ARG 22 -14.331 8.286 5.291 180 2HG ARG 22 HG1 ARG 22 -14.986 9.576 4.281 181 1HD ARG 22 HD2 ARG 22 -17.242 8.465 4.426 182 2HD ARG 22 HD1 ARG 22 -16.547 7.329 5.598 183 HE ARG 22 HE ARG 22 -15.957 10.089 6.283 184 1HH1 ARG 22 HH21 ARG 22 -18.534 7.815 6.159 185 2HH1 ARG 22 HH22 ARG 22 -19.232 8.317 7.662 186 1HH2 ARG 22 HH11 ARG 22 -16.757 10.650 8.336 187 2HH2 ARG 22 HH12 ARG 22 -18.226 9.922 8.894 188 H LYS 23 HN LYS 23 -16.237 5.337 2.119 189 HA LYS 23 HA LYS 23 -14.773 3.212 0.889 190 1HB LYS 23 HB2 LYS 23 -17.338 4.274 0.876 191 2HB LYS 23 HB1 LYS 23 -16.781 4.572 -0.771 192 1HG LYS 23 HG2 LYS 23 -16.650 2.337 -1.280 193 2HG LYS 23 HG1 LYS 23 -16.199 1.883 0.364 194 1HD LYS 23 HD2 LYS 23 -18.338 1.155 0.559 195 2HD LYS 23 HD1 LYS 23 -18.756 2.862 0.706 196 1HE LYS 23 HE2 LYS 23 -19.791 2.867 -1.317 197 2HE LYS 23 HE1 LYS 23 -18.429 2.033 -2.090 198 1HZ LYS 23 HZ1 LYS 23 -20.108 0.553 -0.190 199 2HZ LYS 23 HZ2 LYS 23 -19.233 -0.021 -1.529 200 3HZ LYS 23 HZ3 LYS 23 -20.699 0.807 -1.759 201 H ALA 24 HN ALA 24 -15.167 3.874 -1.912 202 HA ALA 24 HA ALA 24 -12.704 4.854 -2.736 203 1HB ALA 24 HB1 ALA 24 -13.707 4.921 -4.833 204 2HB ALA 24 HB2 ALA 24 -15.163 5.706 -4.220 205 3HB ALA 24 HB3 ALA 24 -14.914 3.980 -3.957 206 H SER 25 HN SER 25 -15.673 6.820 -2.380 207 HA SER 25 HA SER 25 -15.933 9.157 -2.134 208 1HB SER 25 HB2 SER 25 -14.822 9.888 -0.180 209 2HB SER 25 HB1 SER 25 -14.884 8.138 0.009 210 HG SER 25 HG SER 25 -12.778 8.005 -0.403 211 H TRP 26 HN TRP 26 -14.955 9.012 -4.592 212 HA TRP 26 HA TRP 26 -12.320 9.943 -5.128 213 1HB TRP 26 HB2 TRP 26 -14.692 9.334 -6.507 214 2HB TRP 26 HB1 TRP 26 -14.357 11.017 -6.916 215 HD1 TRP 26 HD1 TRP 26 -12.966 7.499 -7.280 216 HE1 TRP 26 HE1 TRP 26 -11.033 7.531 -8.984 217 HE3 TRP 26 HE3 TRP 26 -12.471 12.536 -7.956 218 HZ2 TRP 26 HZ2 TRP 26 -9.482 9.441 -10.443 219 HZ3 TRP 26 HZ3 TRP 26 -10.758 13.433 -9.507 220 HH2 TRP 26 HH2 TRP 26 -9.265 11.894 -10.750 221 H LYS 27 HN LYS 27 -15.335 11.687 -4.461 222 HA LYS 27 HA LYS 27 -13.746 14.202 -4.062 223 1HB LYS 27 HB2 LYS 27 -16.564 13.706 -5.084 224 2HB LYS 27 HB1 LYS 27 -15.922 15.311 -4.731 225 1HG LYS 27 HG2 LYS 27 -14.001 13.972 -6.350 226 2HG LYS 27 HG1 LYS 27 -15.578 13.739 -7.107 227 1HD LYS 27 HD2 LYS 27 -15.071 15.797 -8.004 228 2HD LYS 27 HD1 LYS 27 -15.810 16.340 -6.497 229 1HE LYS 27 HE2 LYS 27 -13.709 17.518 -6.698 230 2HE LYS 27 HE1 LYS 27 -13.455 16.256 -5.477 231 1HZ LYS 27 HZ1 LYS 27 -12.435 16.427 -8.194 232 2HZ LYS 27 HZ2 LYS 27 -12.977 14.892 -7.710 233 3HZ LYS 27 HZ3 LYS 27 -11.757 15.683 -6.830 234 H ASP 28 HN ASP 28 -17.085 14.280 -3.230 235 HA ASP 28 HA ASP 28 -16.447 13.606 -0.386 236 1HB ASP 28 HB2 ASP 28 -17.710 15.634 0.252 237 2HB ASP 28 HB1 ASP 28 -16.338 16.036 -0.782 238 HA PRO 29 HA PRO 29 -20.806 12.294 -1.854 239 1HB PRO 29 HB2 PRO 29 -20.448 9.906 -3.118 240 2HB PRO 29 HB1 PRO 29 -20.454 11.452 -3.990 241 1HG PRO 29 HG2 PRO 29 -18.168 9.740 -3.192 242 2HG PRO 29 HG1 PRO 29 -18.385 10.738 -4.637 243 1HD PRO 29 HD2 PRO 29 -16.853 11.442 -2.450 244 2HD PRO 29 HD1 PRO 29 -17.526 12.574 -3.641 245 H GLU 30 HN GLU 30 -20.809 11.935 0.511 246 HA GLU 30 HA GLU 30 -20.977 9.131 1.249 247 1HB GLU 30 HB2 GLU 30 -18.431 10.400 1.268 248 2HB GLU 30 HB1 GLU 30 -18.906 10.167 2.951 249 1HG GLU 30 HG2 GLU 30 -18.837 8.033 0.797 250 2HG GLU 30 HG1 GLU 30 -17.726 8.177 2.160 251 H GLY 31 HN GLY 31 -20.533 9.336 3.986 252 1HA GLY 31 HA2 GLY 31 -21.294 11.447 5.520 253 2HA GLY 31 HA1 GLY 31 -22.835 10.967 4.806 254 H LYS 32 HN LYS 32 -21.775 8.103 4.735 255 HA LYS 32 HA LYS 32 -21.783 7.453 7.643 256 1HB LYS 32 HB2 LYS 32 -23.862 6.825 5.565 257 2HB LYS 32 HB1 LYS 32 -23.601 5.692 6.891 258 1HG LYS 32 HG2 LYS 32 -24.210 7.278 8.528 259 2HG LYS 32 HG1 LYS 32 -23.990 8.634 7.422 260 1HD LYS 32 HD2 LYS 32 -26.141 8.504 6.778 261 2HD LYS 32 HD1 LYS 32 -25.926 6.816 6.315 262 1HE LYS 32 HE2 LYS 32 -26.252 6.163 8.718 263 2HE LYS 32 HE1 LYS 32 -26.627 7.859 9.081 264 1HZ LYS 32 HZ1 LYS 32 -28.700 7.323 8.463 265 2HZ LYS 32 HZ2 LYS 32 -28.213 5.891 7.690 266 3HZ LYS 32 HZ3 LYS 32 -28.109 7.378 6.874 267 H ILE 33 HN ILE 33 -21.047 5.240 8.046 268 HA ILE 33 HA ILE 33 -19.291 4.218 5.874 269 HB ILE 33 HB ILE 33 -18.347 2.892 7.786 270 1HG1 ILE 33 HG12 ILE 33 -19.629 4.390 9.895 271 2HG1 ILE 33 HG11 ILE 33 -20.850 3.542 8.945 272 1HG2 ILE 33 HG21 ILE 33 -17.410 5.087 7.269 273 2HG2 ILE 33 HG22 ILE 33 -17.457 4.868 9.018 274 3HG2 ILE 33 HG23 ILE 33 -18.666 5.877 8.223 275 1HD1 ILE 33 HD11 ILE 33 -18.341 2.149 9.882 276 2HD1 ILE 33 HD12 ILE 33 -19.859 1.428 9.346 277 3HD1 ILE 33 HD13 ILE 33 -19.774 2.249 10.905 278 H ILE 34 HN ILE 34 -19.125 1.556 6.437 279 HA ILE 34 HA ILE 34 -21.749 0.303 6.749 280 HB ILE 34 HB ILE 34 -21.977 1.255 4.521 281 1HG1 ILE 34 HG12 ILE 34 -21.382 -1.717 4.538 282 2HG1 ILE 34 HG11 ILE 34 -22.954 -0.935 4.710 283 1HG2 ILE 34 HG21 ILE 34 -20.367 0.845 2.761 284 2HG2 ILE 34 HG22 ILE 34 -19.441 -0.240 3.798 285 3HG2 ILE 34 HG23 ILE 34 -19.497 1.487 4.154 286 1HD1 ILE 34 HD11 ILE 34 -22.478 0.085 2.379 287 2HD1 ILE 34 HD12 ILE 34 -22.915 -1.622 2.450 288 3HD1 ILE 34 HD13 ILE 34 -21.228 -1.152 2.246 289 H LEU 35 HN LEU 35 -21.559 -2.083 6.570 290 HA LEU 35 HA LEU 35 -19.011 -3.055 7.564 291 1HB LEU 35 HB2 LEU 35 -21.723 -3.826 7.491 292 2HB LEU 35 HB1 LEU 35 -20.844 -5.101 6.644 293 HG LEU 35 HG LEU 35 -19.662 -4.076 9.185 294 1HD1 LEU 35 HD11 LEU 35 -21.232 -6.140 10.081 295 2HD1 LEU 35 HD12 LEU 35 -22.323 -5.327 8.959 296 3HD1 LEU 35 HD13 LEU 35 -21.610 -4.432 10.301 297 1HD2 LEU 35 HD21 LEU 35 -19.293 -6.637 9.354 298 2HD2 LEU 35 HD22 LEU 35 -18.408 -5.767 8.101 299 3HD2 LEU 35 HD23 LEU 35 -19.852 -6.689 7.682 300 H THR 36 HN THR 36 -17.305 -3.262 6.166 301 HA THR 36 HA THR 36 -17.786 -4.682 3.572 302 HB THR 36 HB THR 36 -15.745 -2.932 3.026 303 HG1 THR 36 HG1 THR 36 -17.166 -0.994 4.016 304 1HG2 THR 36 HG21 THR 36 -17.468 -1.594 1.861 305 2HG2 THR 36 HG22 THR 36 -18.722 -2.408 2.796 306 3HG2 THR 36 HG23 THR 36 -17.745 -3.322 1.648 307 H THR 37 HN THR 37 -15.036 -4.625 2.794 308 HA THR 37 HA THR 37 -13.887 -6.882 3.876 309 HB THR 37 HB THR 37 -12.710 -4.283 2.881 310 HG1 THR 37 HG1 THR 37 -12.420 -5.497 1.046 311 1HG2 THR 37 HG21 THR 37 -11.346 -6.595 4.122 312 2HG2 THR 37 HG22 THR 37 -10.792 -4.933 3.923 313 3HG2 THR 37 HG23 THR 37 -10.681 -6.068 2.577 314 H THR 38 HN THR 38 -12.985 -7.434 5.853 315 HA THR 38 HA THR 38 -12.722 -5.245 7.875 316 HB THR 38 HB THR 38 -13.268 -6.930 9.480 317 HG1 THR 38 HG1 THR 38 -13.308 -9.141 8.831 318 1HG2 THR 38 HG21 THR 38 -14.822 -7.649 6.980 319 2HG2 THR 38 HG22 THR 38 -15.143 -6.226 7.969 320 3HG2 THR 38 HG23 THR 38 -15.359 -7.838 8.649 321 H ARG 39 HN ARG 39 -11.038 -5.867 9.638 322 HA ARG 39 HA ARG 39 -8.434 -5.680 8.725 323 1HB ARG 39 HB2 ARG 39 -9.842 -6.239 11.154 324 2HB ARG 39 HB1 ARG 39 -8.446 -7.313 11.067 325 1HG ARG 39 HG2 ARG 39 -7.922 -4.514 10.267 326 2HG ARG 39 HG1 ARG 39 -8.322 -4.744 11.969 327 1HD ARG 39 HD2 ARG 39 -6.531 -6.377 12.228 328 2HD ARG 39 HD1 ARG 39 -6.181 -6.314 10.489 329 HE ARG 39 HE ARG 39 -6.052 -3.661 11.290 330 1HH1 ARG 39 HH11 ARG 39 -4.315 -6.583 11.597 331 2HH1 ARG 39 HH12 ARG 39 -2.968 -5.871 12.419 332 1HH2 ARG 39 HH21 ARG 39 -4.427 -2.732 12.644 333 2HH2 ARG 39 HH22 ARG 39 -3.031 -3.690 13.012 334 H GLU 40 HN GLU 40 -9.520 -8.763 10.136 335 HA GLU 40 HA GLU 40 -7.541 -10.424 9.077 336 1HB GLU 40 HB2 GLU 40 -9.315 -10.970 10.751 337 2HB GLU 40 HB1 GLU 40 -10.492 -11.026 9.445 338 1HG GLU 40 HG2 GLU 40 -8.410 -12.661 8.554 339 2HG GLU 40 HG1 GLU 40 -8.558 -13.044 10.270 340 H ALA 41 HN ALA 41 -10.802 -9.965 7.679 341 HA ALA 41 HA ALA 41 -10.542 -11.358 5.288 342 1HB ALA 41 HB1 ALA 41 -12.219 -9.389 6.450 343 2HB ALA 41 HB2 ALA 41 -12.576 -10.402 5.051 344 3HB ALA 41 HB3 ALA 41 -11.831 -8.819 4.827 345 H ALA 42 HN ALA 42 -9.502 -8.006 5.913 346 HA ALA 42 HA ALA 42 -8.619 -7.238 3.378 347 1HB ALA 42 HB1 ALA 42 -8.500 -6.279 5.937 348 2HB ALA 42 HB2 ALA 42 -7.681 -5.526 4.569 349 3HB ALA 42 HB3 ALA 42 -6.799 -6.627 5.627 350 H VAL 43 HN VAL 43 -6.579 -8.814 5.861 351 HA VAL 43 HA VAL 43 -4.308 -9.256 4.250 352 HB VAL 43 HB VAL 43 -5.095 -9.747 6.826 353 1HG1 VAL 43 HG11 VAL 43 -4.728 -12.213 7.180 354 2HG1 VAL 43 HG12 VAL 43 -4.855 -12.430 5.435 355 3HG1 VAL 43 HG13 VAL 43 -6.236 -11.827 6.351 356 1HG2 VAL 43 HG21 VAL 43 -2.715 -10.517 5.185 357 2HG2 VAL 43 HG22 VAL 43 -2.809 -11.100 6.847 358 3HG2 VAL 43 HG23 VAL 43 -2.836 -9.368 6.518 359 H GLU 44 HN GLU 44 -7.125 -11.385 4.755 360 HA GLU 44 HA GLU 44 -6.325 -13.526 3.068 361 1HB GLU 44 HB2 GLU 44 -8.632 -12.589 4.484 362 2HB GLU 44 HB1 GLU 44 -9.140 -13.048 2.858 363 1HG GLU 44 HG2 GLU 44 -7.311 -14.861 4.402 364 2HG GLU 44 HG1 GLU 44 -9.041 -14.877 4.740 365 H GLN 45 HN GLN 45 -8.140 -10.556 2.348 366 HA GLN 45 HA GLN 45 -8.487 -11.036 -0.467 367 1HB GLN 45 HB2 GLN 45 -9.734 -9.405 0.972 368 2HB GLN 45 HB1 GLN 45 -8.269 -8.435 1.085 369 1HG GLN 45 HG2 GLN 45 -8.392 -7.736 -1.106 370 2HG GLN 45 HG1 GLN 45 -9.209 -9.202 -1.642 371 1HE2 GLN 45 HE21 GLN 45 -10.979 -8.057 -2.664 372 2HE2 GLN 45 HE22 GLN 45 -12.140 -7.208 -1.761 373 H LEU 46 HN LEU 46 -6.206 -8.944 1.298 374 HA LEU 46 HA LEU 46 -4.587 -8.206 -0.927 375 1HB LEU 46 HB2 LEU 46 -4.680 -7.893 1.901 376 2HB LEU 46 HB1 LEU 46 -3.059 -8.465 1.504 377 HG LEU 46 HG LEU 46 -3.150 -6.665 -0.385 378 1HD1 LEU 46 HD11 LEU 46 -4.954 -5.322 -0.441 379 2HD1 LEU 46 HD12 LEU 46 -4.713 -4.885 1.249 380 3HD1 LEU 46 HD13 LEU 46 -5.686 -6.296 0.833 381 1HD2 LEU 46 HD21 LEU 46 -1.555 -6.082 1.141 382 2HD2 LEU 46 HD22 LEU 46 -2.602 -6.434 2.516 383 3HD2 LEU 46 HD23 LEU 46 -2.759 -4.901 1.659 384 H LYS 47 HN LYS 47 -4.705 -11.123 1.013 385 HA LYS 47 HA LYS 47 -2.144 -12.228 0.458 386 1HB LYS 47 HB2 LYS 47 -4.676 -12.982 1.569 387 2HB LYS 47 HB1 LYS 47 -4.158 -14.256 0.465 388 1HG LYS 47 HG2 LYS 47 -2.483 -14.909 1.837 389 2HG LYS 47 HG1 LYS 47 -1.974 -13.247 2.137 390 1HD LYS 47 HD2 LYS 47 -3.856 -12.975 3.730 391 2HD LYS 47 HD1 LYS 47 -4.308 -14.659 3.462 392 1HE LYS 47 HE2 LYS 47 -2.828 -14.167 5.526 393 2HE LYS 47 HE1 LYS 47 -2.269 -15.459 4.446 394 1HZ LYS 47 HZ1 LYS 47 -1.491 -12.647 3.986 395 2HZ LYS 47 HZ2 LYS 47 -0.736 -14.064 3.429 396 3HZ LYS 47 HZ3 LYS 47 -0.613 -13.618 5.064 397 H SER 48 HN SER 48 -5.217 -12.524 -1.320 398 HA SER 48 HA SER 48 -4.204 -14.165 -3.452 399 1HB SER 48 HB2 SER 48 -6.575 -12.460 -2.857 400 2HB SER 48 HB1 SER 48 -6.301 -12.871 -4.547 401 HG SER 48 HG SER 48 -6.104 -14.871 -2.592 402 H ILE 49 HN ILE 49 -4.440 -10.633 -3.035 403 HA ILE 49 HA ILE 49 -3.709 -9.883 -5.674 404 HB ILE 49 HB ILE 49 -4.326 -8.643 -3.280 405 1HG1 ILE 49 HG12 ILE 49 -4.949 -7.750 -5.415 406 2HG1 ILE 49 HG11 ILE 49 -3.954 -6.520 -4.633 407 1HG2 ILE 49 HG21 ILE 49 -2.016 -8.683 -2.485 408 2HG2 ILE 49 HG22 ILE 49 -2.462 -7.029 -2.895 409 3HG2 ILE 49 HG23 ILE 49 -1.455 -7.971 -3.995 410 1HD1 ILE 49 HD11 ILE 49 -3.256 -8.352 -6.909 411 2HD1 ILE 49 HD12 ILE 49 -1.976 -7.741 -5.861 412 3HD1 ILE 49 HD13 ILE 49 -2.993 -6.615 -6.760 413 H ARG 50 HN ARG 50 -1.633 -10.466 -2.822 414 HA ARG 50 HA ARG 50 0.886 -10.064 -4.087 415 1HB ARG 50 HB2 ARG 50 0.402 -10.403 -1.635 416 2HB ARG 50 HB1 ARG 50 0.114 -12.111 -1.974 417 1HG ARG 50 HG2 ARG 50 2.391 -12.398 -2.758 418 2HG ARG 50 HG1 ARG 50 2.701 -10.667 -2.616 419 1HD ARG 50 HD2 ARG 50 2.959 -10.771 -0.336 420 2HD ARG 50 HD1 ARG 50 1.714 -12.023 -0.155 421 HE ARG 50 HE ARG 50 3.828 -13.201 -1.603 422 1HH1 ARG 50 HH21 ARG 50 2.551 -13.501 1.341 423 2HH1 ARG 50 HH22 ARG 50 4.025 -13.704 2.227 424 1HH2 ARG 50 HH11 ARG 50 6.052 -12.711 -0.407 425 2HH2 ARG 50 HH12 ARG 50 6.008 -13.257 1.236 426 H GLU 51 HN GLU 51 -1.112 -12.977 -3.712 427 HA GLU 51 HA GLU 51 0.480 -14.839 -5.155 428 1HB GLU 51 HB2 GLU 51 -1.323 -15.707 -3.955 429 2HB GLU 51 HB1 GLU 51 -2.395 -14.401 -4.420 430 1HG GLU 51 HG2 GLU 51 -2.842 -16.726 -5.439 431 2HG GLU 51 HG1 GLU 51 -2.824 -15.346 -6.534 432 H ASP 52 HN ASP 52 -2.381 -13.057 -6.271 433 HA ASP 52 HA ASP 52 -2.347 -13.543 -9.002 434 1HB ASP 52 HB2 ASP 52 -3.208 -11.423 -7.174 435 2HB ASP 52 HB1 ASP 52 -2.849 -10.804 -8.786 436 H ILE 53 HN ILE 53 -0.538 -10.906 -7.369 437 HA ILE 53 HA ILE 53 0.956 -10.126 -9.714 438 HB ILE 53 HB ILE 53 1.511 -9.802 -6.746 439 1HG1 ILE 53 HG12 ILE 53 -0.010 -8.088 -8.735 440 2HG1 ILE 53 HG11 ILE 53 -0.686 -8.925 -7.339 441 1HG2 ILE 53 HG21 ILE 53 3.184 -8.333 -7.281 442 2HG2 ILE 53 HG22 ILE 53 2.364 -7.773 -8.738 443 3HG2 ILE 53 HG23 ILE 53 3.257 -9.293 -8.758 444 1HD1 ILE 53 HD11 ILE 53 -0.097 -6.379 -7.138 445 2HD1 ILE 53 HD12 ILE 53 1.557 -6.962 -6.952 446 3HD1 ILE 53 HD13 ILE 53 0.310 -7.464 -5.810 447 H VAL 54 HN VAL 54 1.296 -12.631 -7.334 448 HA VAL 54 HA VAL 54 4.131 -13.159 -7.780 449 HB VAL 54 HB VAL 54 1.800 -14.344 -6.321 450 1HG1 VAL 54 HG11 VAL 54 2.702 -16.359 -7.228 451 2HG1 VAL 54 HG12 VAL 54 3.347 -16.228 -5.591 452 3HG1 VAL 54 HG13 VAL 54 4.358 -15.809 -6.974 453 1HG2 VAL 54 HG21 VAL 54 4.630 -13.810 -5.411 454 2HG2 VAL 54 HG22 VAL 54 3.191 -14.005 -4.409 455 3HG2 VAL 54 HG23 VAL 54 3.377 -12.569 -5.416 456 H SER 55 HN SER 55 1.068 -14.265 -9.121 457 HA SER 55 HA SER 55 2.202 -16.534 -10.565 458 1HB SER 55 HB2 SER 55 -0.101 -16.467 -11.612 459 2HB SER 55 HB1 SER 55 -0.111 -16.527 -9.852 460 HG SER 55 HG SER 55 -1.503 -14.905 -10.861 461 H GLY 56 HN GLY 56 0.404 -13.838 -12.014 462 1HA GLY 56 HA2 GLY 56 2.570 -13.623 -14.069 463 2HA GLY 56 HA1 GLY 56 0.860 -13.487 -14.471 464 H LYS 57 HN LYS 57 2.926 -12.068 -11.955 465 HA LYS 57 HA LYS 57 2.244 -9.825 -11.033 466 1HB LYS 57 HB2 LYS 57 4.549 -10.253 -11.240 467 2HB LYS 57 HB1 LYS 57 4.484 -10.207 -12.998 468 1HG LYS 57 HG2 LYS 57 4.402 -7.877 -13.064 469 2HG LYS 57 HG1 LYS 57 3.719 -7.758 -11.441 470 1HD LYS 57 HD2 LYS 57 5.895 -8.611 -10.530 471 2HD LYS 57 HD1 LYS 57 6.557 -8.519 -12.161 472 1HE LYS 57 HE2 LYS 57 5.240 -6.023 -11.475 473 2HE LYS 57 HE1 LYS 57 6.481 -6.430 -10.273 474 1HZ LYS 57 HZ1 LYS 57 6.823 -6.382 -13.226 475 2HZ LYS 57 HZ2 LYS 57 7.995 -6.943 -12.131 476 3HZ LYS 57 HZ3 LYS 57 7.522 -5.311 -12.112 477 H ALA 58 HN ALA 58 0.123 -9.633 -12.297 478 HA ALA 58 HA ALA 58 -0.241 -8.530 -14.822 479 1HB ALA 58 HB1 ALA 58 -1.798 -7.407 -12.548 480 2HB ALA 58 HB2 ALA 58 -1.757 -9.164 -12.693 481 3HB ALA 58 HB3 ALA 58 -2.370 -8.183 -14.025 482 H ASN 59 HN ASN 59 -1.155 -6.095 -14.995 483 HA ASN 59 HA ASN 59 0.895 -4.288 -15.205 484 1HB ASN 59 HB2 ASN 59 -1.052 -2.583 -14.606 485 2HB ASN 59 HB1 ASN 59 -1.138 -3.567 -16.063 486 1HD2 ASN 59 HD21 ASN 59 -3.539 -3.417 -15.921 487 2HD2 ASN 59 HD22 ASN 59 -4.385 -4.381 -14.809 488 H PHE 60 HN PHE 60 -1.303 -3.359 -12.662 489 HA PHE 60 HA PHE 60 -0.841 -3.352 -10.238 490 1HB PHE 60 HB2 PHE 60 1.393 -4.398 -10.636 491 2HB PHE 60 HB1 PHE 60 1.986 -2.827 -11.174 492 HD1 PHE 60 HD1 PHE 60 2.083 -0.905 -9.590 493 HD2 PHE 60 HD2 PHE 60 1.068 -4.873 -8.294 494 HE1 PHE 60 HE1 PHE 60 2.515 -0.248 -7.238 495 HE2 PHE 60 HE2 PHE 60 1.501 -4.215 -5.941 496 HZ PHE 60 HZ PHE 60 2.225 -1.903 -5.414 497 H GLU 61 HN GLU 61 0.420 -1.238 -12.765 498 HA GLU 61 HA GLU 61 0.487 1.178 -11.190 499 1HB GLU 61 HB2 GLU 61 0.144 0.684 -14.171 500 2HB GLU 61 HB1 GLU 61 0.610 2.221 -13.444 501 1HG GLU 61 HG2 GLU 61 2.460 0.637 -12.301 502 2HG GLU 61 HG1 GLU 61 2.197 -0.272 -13.790 503 H GLU 62 HN GLU 62 -1.671 0.933 -13.993 504 HA GLU 62 HA GLU 62 -3.707 2.604 -13.103 505 1HB GLU 62 HB2 GLU 62 -5.150 1.214 -14.623 506 2HB GLU 62 HB1 GLU 62 -3.587 1.608 -15.340 507 1HG GLU 62 HG2 GLU 62 -2.769 -0.635 -14.377 508 2HG GLU 62 HG1 GLU 62 -4.474 -1.014 -14.130 509 H VAL 63 HN VAL 63 -3.010 -0.700 -12.126 510 HA VAL 63 HA VAL 63 -5.451 -1.383 -10.838 511 HB VAL 63 HB VAL 63 -2.535 -2.015 -10.322 512 1HG1 VAL 63 HG11 VAL 63 -3.783 -2.296 -8.220 513 2HG1 VAL 63 HG12 VAL 63 -3.340 -3.867 -8.889 514 3HG1 VAL 63 HG13 VAL 63 -4.991 -3.270 -9.057 515 1HG2 VAL 63 HG21 VAL 63 -3.252 -2.955 -12.376 516 2HG2 VAL 63 HG22 VAL 63 -4.834 -3.383 -11.722 517 3HG2 VAL 63 HG23 VAL 63 -3.399 -4.274 -11.214 518 H ALA 64 HN ALA 64 -2.528 0.202 -9.564 519 HA ALA 64 HA ALA 64 -3.464 0.678 -6.919 520 1HB ALA 64 HB1 ALA 64 -1.675 2.435 -6.978 521 2HB ALA 64 HB2 ALA 64 -1.559 2.205 -8.723 522 3HB ALA 64 HB3 ALA 64 -1.133 0.889 -7.629 523 H THR 65 HN THR 65 -3.288 3.033 -9.622 524 HA THR 65 HA THR 65 -4.579 5.221 -8.637 525 HB THR 65 HB THR 65 -5.824 4.713 -11.122 526 HG1 THR 65 HG1 THR 65 -3.360 4.103 -11.843 527 1HG2 THR 65 HG21 THR 65 -3.698 6.083 -11.878 528 2HG2 THR 65 HG22 THR 65 -3.418 6.203 -10.142 529 3HG2 THR 65 HG23 THR 65 -4.912 6.830 -10.839 530 H ARG 66 HN ARG 66 -6.160 2.168 -9.505 531 HA ARG 66 HA ARG 66 -8.825 3.236 -8.791 532 1HB ARG 66 HB2 ARG 66 -8.265 1.673 -10.739 533 2HB ARG 66 HB1 ARG 66 -8.001 0.418 -9.528 534 1HG ARG 66 HG2 ARG 66 -10.248 0.367 -8.893 535 2HG ARG 66 HG1 ARG 66 -10.557 1.998 -9.491 536 1HD ARG 66 HD2 ARG 66 -9.714 -0.050 -11.502 537 2HD ARG 66 HD1 ARG 66 -11.370 -0.147 -10.869 538 HE ARG 66 HE ARG 66 -10.919 2.570 -11.429 539 1HH1 ARG 66 HH21 ARG 66 -9.602 0.449 -13.535 540 2HH1 ARG 66 HH22 ARG 66 -10.692 0.737 -14.849 541 1HH2 ARG 66 HH11 ARG 66 -12.928 2.575 -12.937 542 2HH2 ARG 66 HH12 ARG 66 -12.579 1.941 -14.511 543 H VAL 67 HN VAL 67 -6.734 0.531 -7.778 544 HA VAL 67 HA VAL 67 -8.214 0.322 -5.209 545 HB VAL 67 HB VAL 67 -7.637 -1.646 -6.690 546 1HG1 VAL 67 HG11 VAL 67 -4.927 -1.951 -5.808 547 2HG1 VAL 67 HG12 VAL 67 -5.085 -0.384 -6.600 548 3HG1 VAL 67 HG13 VAL 67 -5.534 -1.856 -7.461 549 1HG2 VAL 67 HG21 VAL 67 -7.491 -2.992 -4.855 550 2HG2 VAL 67 HG22 VAL 67 -7.673 -1.481 -3.963 551 3HG2 VAL 67 HG23 VAL 67 -6.067 -2.157 -4.236 552 H SER 68 HN SER 68 -6.902 2.705 -5.088 553 HA SER 68 HA SER 68 -4.568 2.072 -3.324 554 1HB SER 68 HB2 SER 68 -4.739 3.948 -5.682 555 2HB SER 68 HB1 SER 68 -3.522 4.154 -4.433 556 HG SER 68 HG SER 68 -3.115 1.800 -4.861 557 H ASP 69 HN ASP 69 -4.105 3.813 -1.786 558 HA ASP 69 HA ASP 69 -6.249 4.928 -0.418 559 1HB ASP 69 HB2 ASP 69 -4.042 4.977 0.496 560 2HB ASP 69 HB1 ASP 69 -3.416 5.869 -0.889 561 H CYS 70 HN CYS 70 -7.664 6.554 -0.833 562 HA CYS 70 HA CYS 70 -8.487 7.638 -3.104 563 1HB CYS 70 HB2 CYS 70 -9.449 8.322 -1.055 564 2HB CYS 70 HB1 CYS 70 -7.923 8.974 -0.465 565 HG CYS 70 HG CYS 70 -9.204 11.053 -1.272 566 H SER 71 HN SER 71 -6.105 9.661 -1.371 567 HA SER 71 HA SER 71 -5.304 11.245 -3.579 568 1HB SER 71 HB2 SER 71 -4.806 11.503 -1.104 569 2HB SER 71 HB1 SER 71 -3.607 10.231 -1.277 570 HG SER 71 HG SER 71 -2.502 12.090 -1.591 571 H SER 72 HN SER 72 -3.876 8.258 -2.284 572 HA SER 72 HA SER 72 -1.801 7.914 -4.187 573 1HB SER 72 HB2 SER 72 -2.198 6.604 -2.082 574 2HB SER 72 HB1 SER 72 -3.553 5.801 -2.873 575 HG SER 72 HG SER 72 -1.674 5.506 -4.565 576 H ALA 73 HN ALA 73 -5.293 7.310 -4.455 577 HA ALA 73 HA ALA 73 -5.282 5.692 -6.799 578 1HB ALA 73 HB1 ALA 73 -7.248 6.469 -5.365 579 2HB ALA 73 HB2 ALA 73 -7.521 6.539 -7.106 580 3HB ALA 73 HB3 ALA 73 -7.146 8.013 -6.212 581 H LYS 74 HN LYS 74 -4.938 9.181 -6.308 582 HA LYS 74 HA LYS 74 -4.677 9.824 -9.149 583 1HB LYS 74 HB2 LYS 74 -5.410 11.266 -7.109 584 2HB LYS 74 HB1 LYS 74 -3.686 11.436 -6.783 585 1HG LYS 74 HG2 LYS 74 -3.446 12.946 -8.449 586 2HG LYS 74 HG1 LYS 74 -4.281 11.898 -9.597 587 1HD LYS 74 HD2 LYS 74 -6.264 12.840 -7.817 588 2HD LYS 74 HD1 LYS 74 -5.277 14.241 -8.234 589 1HE LYS 74 HE2 LYS 74 -6.012 12.436 -10.491 590 2HE LYS 74 HE1 LYS 74 -7.315 13.425 -9.800 591 1HZ LYS 74 HZ1 LYS 74 -5.983 14.573 -11.552 592 2HZ LYS 74 HZ2 LYS 74 -4.640 14.496 -10.515 593 3HZ LYS 74 HZ3 LYS 74 -6.017 15.383 -10.063 594 H ARG 75 HN ARG 75 -2.686 8.454 -6.763 595 HA ARG 75 HA ARG 75 -0.240 8.687 -8.459 596 1HB ARG 75 HB2 ARG 75 -0.763 9.443 -5.603 597 2HB ARG 75 HB1 ARG 75 0.818 8.771 -6.001 598 1HG ARG 75 HG2 ARG 75 1.460 10.640 -7.070 599 2HG ARG 75 HG1 ARG 75 -0.077 10.796 -7.917 600 1HD ARG 75 HD2 ARG 75 -1.024 12.096 -6.228 601 2HD ARG 75 HD1 ARG 75 0.036 11.418 -4.975 602 HE ARG 75 HE ARG 75 1.785 12.662 -6.739 603 1HH1 ARG 75 HH21 ARG 75 -0.435 13.415 -4.277 604 2HH1 ARG 75 HH22 ARG 75 -0.194 15.128 -4.369 605 1HH2 ARG 75 HH11 ARG 75 1.865 14.956 -7.154 606 2HH2 ARG 75 HH12 ARG 75 1.109 16.000 -5.997 607 H GLY 76 HN GLY 76 -1.842 6.445 -8.569 608 1HA GLY 76 HA2 GLY 76 -1.322 4.488 -6.524 609 2HA GLY 76 HA1 GLY 76 -1.976 4.145 -8.126 610 H GLY 77 HN GLY 77 0.681 5.785 -8.878 611 1HA GLY 77 HA2 GLY 77 2.142 3.460 -9.705 612 2HA GLY 77 HA1 GLY 77 2.776 5.109 -9.703 613 H ASP 78 HN ASP 78 4.159 5.713 -8.083 614 HA ASP 78 HA ASP 78 4.416 3.913 -5.727 615 1HB ASP 78 HB2 ASP 78 6.779 3.639 -6.138 616 2HB ASP 78 HB1 ASP 78 5.944 3.269 -7.647 617 H LEU 79 HN LEU 79 5.753 4.897 -4.002 618 HA LEU 79 HA LEU 79 5.096 7.637 -3.466 619 1HB LEU 79 HB2 LEU 79 7.034 5.599 -2.350 620 2HB LEU 79 HB1 LEU 79 6.911 7.216 -1.662 621 HG LEU 79 HG LEU 79 4.434 6.820 -1.385 622 1HD1 LEU 79 HD11 LEU 79 3.850 4.313 -1.346 623 2HD1 LEU 79 HD12 LEU 79 5.305 4.079 -2.315 624 3HD1 LEU 79 HD13 LEU 79 3.983 5.069 -2.933 625 1HD2 LEU 79 HD21 LEU 79 4.735 5.790 0.685 626 2HD2 LEU 79 HD22 LEU 79 6.375 6.334 0.330 627 3HD2 LEU 79 HD23 LEU 79 5.925 4.651 0.059 628 H GLY 80 HN GLY 80 8.358 6.290 -3.704 629 1HA GLY 80 HA2 GLY 80 9.670 7.345 -5.732 630 2HA GLY 80 HA1 GLY 80 9.352 8.834 -4.847 631 H SER 81 HN SER 81 10.328 9.158 -2.816 632 HA SER 81 HA SER 81 12.250 7.112 -1.877 633 1HB SER 81 HB2 SER 81 14.129 8.329 -2.396 634 2HB SER 81 HB1 SER 81 13.081 8.845 -3.713 635 HG SER 81 HG SER 81 13.883 10.200 -1.401 636 H PHE 82 HN PHE 82 12.185 7.084 0.312 637 HA PHE 82 HA PHE 82 11.844 9.616 1.823 638 1HB PHE 82 HB2 PHE 82 10.029 8.375 3.169 639 2HB PHE 82 HB1 PHE 82 9.572 8.925 1.559 640 HD1 PHE 82 HD1 PHE 82 9.850 7.235 -0.394 641 HD2 PHE 82 HD2 PHE 82 9.827 6.112 3.750 642 HE1 PHE 82 HE1 PHE 82 9.302 4.903 -1.031 643 HE2 PHE 82 HE2 PHE 82 9.276 3.784 3.115 644 HZ PHE 82 HZ PHE 82 9.017 3.176 0.722 645 H GLY 83 HN GLY 83 12.097 9.014 4.295 646 1HA GLY 83 HA2 GLY 83 13.460 6.512 4.869 647 2HA GLY 83 HA1 GLY 83 14.576 7.873 4.779 648 H ARG 84 HN ARG 84 12.049 6.372 6.627 649 HA ARG 84 HA ARG 84 11.446 6.668 8.894 650 1HB ARG 84 HB2 ARG 84 13.667 8.713 9.007 651 2HB ARG 84 HB1 ARG 84 13.114 7.630 10.282 652 1HG ARG 84 HG2 ARG 84 14.716 6.936 7.814 653 2HG ARG 84 HG1 ARG 84 15.148 6.675 9.503 654 1HD ARG 84 HD2 ARG 84 12.871 5.282 8.042 655 2HD ARG 84 HD1 ARG 84 14.426 4.548 8.481 656 HE ARG 84 HE ARG 84 12.492 5.620 10.504 657 1HH1 ARG 84 HH21 ARG 84 13.906 2.840 9.280 658 2HH1 ARG 84 HH22 ARG 84 14.415 2.208 10.810 659 1HH2 ARG 84 HH11 ARG 84 13.612 5.090 12.565 660 2HH2 ARG 84 HH12 ARG 84 14.248 3.483 12.670 661 H GLY 85 HN GLY 85 9.729 7.873 9.604 662 1HA GLY 85 HA2 GLY 85 8.489 9.828 10.132 663 2HA GLY 85 HA1 GLY 85 9.728 10.796 9.334 664 H GLN 86 HN GLN 86 8.653 8.151 7.458 665 HA GLN 86 HA GLN 86 6.824 9.970 5.913 666 1HB GLN 86 HB2 GLN 86 8.585 7.775 4.800 667 2HB GLN 86 HB1 GLN 86 7.806 9.081 3.915 668 1HG GLN 86 HG2 GLN 86 9.443 10.216 5.978 669 2HG GLN 86 HG1 GLN 86 10.399 9.053 5.058 670 1HE2 GLN 86 HE21 GLN 86 11.611 10.824 4.009 671 2HE2 GLN 86 HE22 GLN 86 10.888 11.769 2.799 672 H MET 87 HN MET 87 7.724 6.525 5.845 673 HA MET 87 HA MET 87 4.863 5.794 5.543 674 1HB MET 87 HB2 MET 87 7.500 4.876 4.710 675 2HB MET 87 HB1 MET 87 6.529 3.549 5.356 676 1HG MET 87 HG2 MET 87 6.259 4.004 2.853 677 2HG MET 87 HG1 MET 87 4.764 3.951 3.787 678 1HE MET 87 HE1 MET 87 7.003 7.831 2.759 679 2HE MET 87 HE2 MET 87 7.474 6.271 2.091 680 3HE MET 87 HE3 MET 87 7.546 6.534 3.832 681 H GLN 88 HN GLN 88 5.760 6.698 8.144 682 HA GLN 88 HA GLN 88 5.764 6.039 10.409 683 1HB GLN 88 HB2 GLN 88 3.896 4.189 8.936 684 2HB GLN 88 HB1 GLN 88 4.103 4.039 10.680 685 1HG GLN 88 HG2 GLN 88 3.791 6.808 10.102 686 2HG GLN 88 HG1 GLN 88 2.514 5.941 9.247 687 1HE2 GLN 88 HE21 GLN 88 1.906 7.600 11.501 688 2HE2 GLN 88 HE22 GLN 88 1.388 6.608 12.777 689 H LYS 89 HN LYS 89 5.620 3.439 11.532 690 HA LYS 89 HA LYS 89 8.375 2.523 11.047 691 1HB LYS 89 HB2 LYS 89 6.303 2.416 13.133 692 2HB LYS 89 HB1 LYS 89 7.289 0.957 13.022 693 1HG LYS 89 HG2 LYS 89 9.174 2.952 12.779 694 2HG LYS 89 HG1 LYS 89 8.035 3.651 13.930 695 1HD LYS 89 HD2 LYS 89 9.553 2.433 15.279 696 2HD LYS 89 HD1 LYS 89 8.145 1.379 15.144 697 1HE LYS 89 HE2 LYS 89 9.643 0.666 12.920 698 2HE LYS 89 HE1 LYS 89 10.877 0.947 14.164 699 1HZ LYS 89 HZ1 LYS 89 9.973 -0.610 15.557 700 2HZ LYS 89 HZ2 LYS 89 9.618 -1.326 14.057 701 3HZ LYS 89 HZ3 LYS 89 8.415 -0.473 14.902 702 HA PRO 90 HA PRO 90 5.867 -1.444 10.040 703 1HB PRO 90 HB2 PRO 90 3.465 -1.084 8.778 704 2HB PRO 90 HB1 PRO 90 3.627 -1.252 10.537 705 1HG PRO 90 HG2 PRO 90 3.193 1.178 8.901 706 2HG PRO 90 HG1 PRO 90 2.613 0.788 10.525 707 1HD PRO 90 HD2 PRO 90 4.727 2.460 9.955 708 2HD PRO 90 HD1 PRO 90 4.462 1.663 11.519 709 H PHE 91 HN PHE 91 4.408 0.706 7.554 710 HA PHE 91 HA PHE 91 5.257 -0.684 5.307 711 1HB PHE 91 HB2 PHE 91 3.814 1.313 5.253 712 2HB PHE 91 HB1 PHE 91 5.185 2.325 5.707 713 HD1 PHE 91 HD1 PHE 91 7.375 1.941 4.135 714 HD2 PHE 91 HD2 PHE 91 3.309 1.158 2.976 715 HE1 PHE 91 HE1 PHE 91 8.040 2.022 1.788 716 HE2 PHE 91 HE2 PHE 91 3.988 1.278 0.590 717 HZ PHE 91 HZ PHE 91 6.352 1.712 -0.007 718 H GLU 92 HN GLU 92 7.038 2.094 6.663 719 HA GLU 92 HA GLU 92 9.330 2.064 5.151 720 1HB GLU 92 HB2 GLU 92 8.806 3.597 7.033 721 2HB GLU 92 HB1 GLU 92 9.136 2.296 8.177 722 1HG GLU 92 HG2 GLU 92 11.278 2.840 6.200 723 2HG GLU 92 HG1 GLU 92 11.006 4.102 7.402 724 H GLU 93 HN GLU 93 9.010 0.173 8.168 725 HA GLU 93 HA GLU 93 11.389 -1.347 7.894 726 1HB GLU 93 HB2 GLU 93 9.992 -1.191 9.922 727 2HB GLU 93 HB1 GLU 93 8.691 -2.055 9.101 728 1HG GLU 93 HG2 GLU 93 10.116 -3.507 10.597 729 2HG GLU 93 HG1 GLU 93 10.030 -4.050 8.921 730 H ALA 94 HN ALA 94 8.376 -1.519 6.209 731 HA ALA 94 HA ALA 94 8.562 -4.270 5.291 732 1HB ALA 94 HB1 ALA 94 6.664 -2.291 5.391 733 2HB ALA 94 HB2 ALA 94 6.513 -3.743 4.401 734 3HB ALA 94 HB3 ALA 94 7.115 -2.246 3.687 735 H THR 95 HN THR 95 9.007 -1.136 3.636 736 HA THR 95 HA THR 95 10.155 -2.291 1.259 737 HB THR 95 HB THR 95 10.329 0.492 2.470 738 HG1 THR 95 HG1 THR 95 8.564 -0.596 0.535 739 1HG2 THR 95 HG21 THR 95 12.006 0.091 0.697 740 2HG2 THR 95 HG22 THR 95 10.767 1.229 0.169 741 3HG2 THR 95 HG23 THR 95 10.720 -0.444 -0.386 742 H TYR 96 HN TYR 96 11.429 -1.273 4.354 743 HA TYR 96 HA TYR 96 14.234 -1.216 3.541 744 1HB TYR 96 HB2 TYR 96 12.549 -0.933 5.968 745 2HB TYR 96 HB1 TYR 96 14.189 -1.509 6.254 746 HD1 TYR 96 HD1 TYR 96 12.120 1.339 5.477 747 HD2 TYR 96 HD2 TYR 96 16.140 -0.164 5.290 748 HE1 TYR 96 HE1 TYR 96 12.971 3.652 5.211 749 HE2 TYR 96 HE2 TYR 96 16.991 2.151 5.021 750 HH TYR 96 HH TYR 96 15.598 4.516 4.011 751 H ALA 97 HN ALA 97 11.932 -3.621 4.525 752 HA ALA 97 HA ALA 97 13.989 -5.610 5.277 753 1HB ALA 97 HB1 ALA 97 11.027 -5.265 5.404 754 2HB ALA 97 HB2 ALA 97 12.148 -5.796 6.657 755 3HB ALA 97 HB3 ALA 97 11.646 -6.917 5.392 756 H LEU 98 HN LEU 98 11.446 -5.239 2.757 757 HA LEU 98 HA LEU 98 11.747 -7.665 1.402 758 1HB LEU 98 HB2 LEU 98 10.337 -5.415 1.039 759 2HB LEU 98 HB1 LEU 98 11.566 -5.153 -0.200 760 HG LEU 98 HG LEU 98 11.015 -7.689 -0.786 761 1HD1 LEU 98 HD11 LEU 98 8.410 -7.819 -0.554 762 2HD1 LEU 98 HD12 LEU 98 8.646 -6.682 0.773 763 3HD1 LEU 98 HD13 LEU 98 9.414 -8.269 0.824 764 1HD2 LEU 98 HD21 LEU 98 9.629 -6.892 -2.555 765 2HD2 LEU 98 HD22 LEU 98 10.710 -5.552 -2.173 766 3HD2 LEU 98 HD23 LEU 98 9.047 -5.537 -1.588 767 H LYS 99 HN LYS 99 12.992 -8.189 -0.572 768 HA LYS 99 HA LYS 99 15.605 -6.726 -0.755 769 1HB LYS 99 HB2 LYS 99 14.934 -9.495 -0.043 770 2HB LYS 99 HB1 LYS 99 16.145 -9.384 -1.321 771 1HG LYS 99 HG2 LYS 99 16.387 -7.674 1.143 772 2HG LYS 99 HG1 LYS 99 16.944 -9.348 1.164 773 1HD LYS 99 HD2 LYS 99 18.463 -8.941 -0.669 774 2HD LYS 99 HD1 LYS 99 17.804 -7.324 -0.919 775 1HE LYS 99 HE2 LYS 99 19.565 -6.679 0.406 776 2HE LYS 99 HE1 LYS 99 18.513 -7.211 1.734 777 1HZ LYS 99 HZ1 LYS 99 20.619 -8.356 1.876 778 2HZ LYS 99 HZ2 LYS 99 20.484 -8.887 0.268 779 3HZ LYS 99 HZ3 LYS 99 19.408 -9.465 1.449 780 H VAL 100 HN VAL 100 13.496 -6.188 -2.529 781 HA VAL 100 HA VAL 100 13.025 -6.116 -4.842 782 HB VAL 100 HB VAL 100 15.912 -6.900 -4.557 783 1HG1 VAL 100 HG11 VAL 100 15.970 -7.807 -6.621 784 2HG1 VAL 100 HG12 VAL 100 15.583 -6.204 -7.245 785 3HG1 VAL 100 HG13 VAL 100 14.293 -7.363 -6.936 786 1HG2 VAL 100 HG21 VAL 100 14.431 -4.515 -5.702 787 2HG2 VAL 100 HG22 VAL 100 16.187 -4.677 -5.670 788 3HG2 VAL 100 HG23 VAL 100 15.282 -4.582 -4.159 789 H GLY 101 HN GLY 101 11.492 -7.616 -5.448 790 1HA GLY 101 HA2 GLY 101 10.942 -9.589 -6.731 791 2HA GLY 101 HA1 GLY 101 12.458 -10.317 -6.202 792 H ASP 102 HN ASP 102 10.066 -8.745 -4.116 793 HA ASP 102 HA ASP 102 9.432 -11.430 -2.948 794 1HB ASP 102 HB2 ASP 102 10.952 -9.230 -1.861 795 2HB ASP 102 HB1 ASP 102 9.520 -9.515 -0.869 796 H ILE 103 HN ILE 103 8.321 -8.287 -3.906 797 HA ILE 103 HA ILE 103 6.206 -7.238 -3.707 798 HB ILE 103 HB ILE 103 5.394 -10.162 -3.761 799 1HG1 ILE 103 HG12 ILE 103 6.095 -8.254 -6.014 800 2HG1 ILE 103 HG11 ILE 103 7.048 -9.648 -5.508 801 1HG2 ILE 103 HG21 ILE 103 4.024 -7.550 -4.329 802 2HG2 ILE 103 HG22 ILE 103 3.412 -8.961 -3.467 803 3HG2 ILE 103 HG23 ILE 103 3.542 -8.990 -5.226 804 1HD1 ILE 103 HD11 ILE 103 5.762 -11.048 -6.726 805 2HD1 ILE 103 HD12 ILE 103 4.973 -9.627 -7.410 806 3HD1 ILE 103 HD13 ILE 103 4.291 -10.415 -5.988 807 H SER 104 HN SER 104 6.802 -6.670 -1.420 808 HA SER 104 HA SER 104 6.346 -7.980 0.941 809 1HB SER 104 HB2 SER 104 6.950 -5.772 1.222 810 2HB SER 104 HB1 SER 104 5.891 -5.217 -0.071 811 HG SER 104 HG SER 104 5.421 -5.484 2.613 812 H ASP 105 HN ASP 105 3.720 -5.991 -0.413 813 HA ASP 105 HA ASP 105 1.381 -6.327 -0.395 814 1HB ASP 105 HB2 ASP 105 2.737 -8.786 -1.046 815 2HB ASP 105 HB1 ASP 105 1.278 -9.152 -0.123 816 H ILE 106 HN ILE 106 -0.372 -7.634 1.001 817 HA ILE 106 HA ILE 106 -1.289 -7.711 3.195 818 HB ILE 106 HB ILE 106 1.313 -9.185 3.686 819 1HG1 ILE 106 HG12 ILE 106 0.234 -9.748 1.451 820 2HG1 ILE 106 HG11 ILE 106 0.382 -11.104 2.569 821 1HG2 ILE 106 HG21 ILE 106 -1.407 -9.107 4.894 822 2HG2 ILE 106 HG22 ILE 106 0.156 -9.393 5.659 823 3HG2 ILE 106 HG23 ILE 106 -0.643 -10.691 4.771 824 1HD1 ILE 106 HD11 ILE 106 -1.972 -10.213 1.338 825 2HD1 ILE 106 HD12 ILE 106 -2.098 -9.654 3.006 826 3HD1 ILE 106 HD13 ILE 106 -1.854 -11.367 2.666 827 H VAL 107 HN VAL 107 -0.378 -5.241 3.040 828 HA VAL 107 HA VAL 107 1.443 -4.837 5.392 829 HB VAL 107 HB VAL 107 0.990 -3.141 2.916 830 1HG1 VAL 107 HG11 VAL 107 1.747 -1.692 4.625 831 2HG1 VAL 107 HG12 VAL 107 3.218 -2.153 3.767 832 3HG1 VAL 107 HG13 VAL 107 2.817 -2.919 5.305 833 1HG2 VAL 107 HG21 VAL 107 3.578 -4.023 2.830 834 2HG2 VAL 107 HG22 VAL 107 2.245 -4.798 1.973 835 3HG2 VAL 107 HG23 VAL 107 2.768 -5.420 3.539 836 H ASP 108 HN ASP 108 -0.404 -4.730 6.862 837 HA ASP 108 HA ASP 108 -2.534 -2.761 6.398 838 1HB ASP 108 HB2 ASP 108 -3.159 -3.525 8.733 839 2HB ASP 108 HB1 ASP 108 -3.047 -4.815 7.534 840 H THR 109 HN THR 109 -1.649 -0.686 6.389 841 HA THR 109 HA THR 109 -0.481 0.239 8.984 842 HB THR 109 HB THR 109 1.263 1.373 7.803 843 HG1 THR 109 HG1 THR 109 0.157 0.586 5.338 844 1HG2 THR 109 HG21 THR 109 0.786 -1.317 6.491 845 2HG2 THR 109 HG22 THR 109 1.684 -1.025 7.981 846 3HG2 THR 109 HG23 THR 109 2.311 -0.434 6.442 847 H ASP 110 HN ASP 110 -0.128 2.925 7.736 848 HA ASP 110 HA ASP 110 -2.428 4.281 8.448 849 1HB ASP 110 HB2 ASP 110 -0.110 4.683 6.731 850 2HB ASP 110 HB1 ASP 110 -1.514 5.558 6.119 851 H SER 111 HN SER 111 -4.414 4.796 7.419 852 HA SER 111 HA SER 111 -6.178 4.592 5.845 853 1HB SER 111 HB2 SER 111 -4.231 3.241 4.002 854 2HB SER 111 HB1 SER 111 -5.557 4.316 3.596 855 HG SER 111 HG SER 111 -3.104 5.004 3.787 856 H GLY 112 HN GLY 112 -4.007 1.769 5.481 857 1HA GLY 112 HA2 GLY 112 -5.340 -0.173 6.872 858 2HA GLY 112 HA1 GLY 112 -6.308 -0.048 5.404 859 H VAL 113 HN VAL 113 -5.576 -2.331 5.089 860 HA VAL 113 HA VAL 113 -2.941 -3.216 4.728 861 HB VAL 113 HB VAL 113 -4.107 -4.744 2.984 862 1HG1 VAL 113 HG11 VAL 113 -3.858 -4.921 5.642 863 2HG1 VAL 113 HG12 VAL 113 -4.795 -6.095 4.718 864 3HG1 VAL 113 HG13 VAL 113 -5.614 -4.779 5.559 865 1HG2 VAL 113 HG21 VAL 113 -5.952 -2.748 2.928 866 2HG2 VAL 113 HG22 VAL 113 -6.675 -3.813 4.133 867 3HG2 VAL 113 HG23 VAL 113 -6.323 -4.422 2.516 868 H HIS 114 HN HIS 114 -1.369 -2.782 3.268 869 HA HIS 114 HA HIS 114 -2.117 -1.372 0.726 870 1HB HIS 114 HB2 HIS 114 -0.108 -0.788 2.881 871 2HB HIS 114 HB1 HIS 114 0.261 -0.310 1.225 872 HD1 HIS 114 HD1 HIS 114 -1.708 1.195 0.042 873 HD2 HIS 114 HD2 HIS 114 -1.725 1.012 4.206 874 HE1 HIS 114 HE1 HIS 114 -3.090 3.160 0.840 875 H ILE 115 HN ILE 115 0.088 -1.353 -0.647 876 HA ILE 115 HA ILE 115 1.368 -4.056 -0.506 877 HB ILE 115 HB ILE 115 0.620 -2.676 -3.092 878 1HG1 ILE 115 HG12 ILE 115 -1.111 -4.534 -1.426 879 2HG1 ILE 115 HG11 ILE 115 -1.468 -2.854 -1.825 880 1HG2 ILE 115 HG21 ILE 115 1.851 -4.474 -3.755 881 2HG2 ILE 115 HG22 ILE 115 0.379 -5.386 -3.421 882 3HG2 ILE 115 HG23 ILE 115 1.656 -5.297 -2.208 883 1HD1 ILE 115 HD11 ILE 115 -2.421 -3.506 -3.753 884 2HD1 ILE 115 HD12 ILE 115 -2.078 -5.189 -3.349 885 3HD1 ILE 115 HD13 ILE 115 -0.900 -4.242 -4.259 886 H ILE 116 HN ILE 116 3.476 -3.980 -1.932 887 HA ILE 116 HA ILE 116 4.579 -1.222 -2.130 888 HB ILE 116 HB ILE 116 5.268 -3.356 -0.167 889 1HG1 ILE 116 HG12 ILE 116 6.050 -0.619 0.415 890 2HG1 ILE 116 HG11 ILE 116 4.377 -0.698 -0.138 891 1HG2 ILE 116 HG21 ILE 116 7.356 -1.476 -1.320 892 2HG2 ILE 116 HG22 ILE 116 7.327 -3.224 -1.546 893 3HG2 ILE 116 HG23 ILE 116 7.583 -2.548 0.062 894 1HD1 ILE 116 HD11 ILE 116 3.702 -2.010 1.644 895 2HD1 ILE 116 HD12 ILE 116 4.988 -1.086 2.421 896 3HD1 ILE 116 HD13 ILE 116 5.299 -2.727 1.856 897 H LYS 117 HN LYS 117 6.515 -1.101 -3.402 898 HA LYS 117 HA LYS 117 7.476 -3.538 -4.790 899 1HB LYS 117 HB2 LYS 117 5.396 -2.008 -5.819 900 2HB LYS 117 HB1 LYS 117 6.813 -1.365 -6.648 901 1HG LYS 117 HG2 LYS 117 6.658 -3.132 -8.041 902 2HG LYS 117 HG1 LYS 117 7.199 -4.128 -6.689 903 1HD LYS 117 HD2 LYS 117 4.975 -4.677 -6.062 904 2HD LYS 117 HD1 LYS 117 4.293 -3.391 -7.059 905 1HE LYS 117 HE2 LYS 117 4.070 -4.890 -8.742 906 2HE LYS 117 HE1 LYS 117 5.837 -5.046 -8.790 907 1HZ LYS 117 HZ1 LYS 117 3.963 -6.536 -7.034 908 2HZ LYS 117 HZ2 LYS 117 5.653 -6.579 -6.873 909 3HZ LYS 117 HZ3 LYS 117 4.916 -7.180 -8.280 910 H ARG 118 HN ARG 118 9.676 -3.291 -5.196 911 HA ARG 118 HA ARG 118 10.782 -0.502 -5.085 912 1HB ARG 118 HB2 ARG 118 11.152 -2.753 -3.371 913 2HB ARG 118 HB1 ARG 118 12.673 -2.477 -4.221 914 1HG ARG 118 HG2 ARG 118 12.687 -0.139 -3.527 915 2HG ARG 118 HG1 ARG 118 11.105 -0.324 -2.772 916 1HD ARG 118 HD2 ARG 118 11.964 -1.730 -1.054 917 2HD ARG 118 HD1 ARG 118 13.474 -2.018 -1.940 918 HE ARG 118 HE ARG 118 12.756 0.740 -1.038 919 1HH1 ARG 118 HH21 ARG 118 14.090 -0.931 1.055 920 2HH1 ARG 118 HH22 ARG 118 15.765 -0.579 0.790 921 1HH2 ARG 118 HH11 ARG 118 15.256 0.750 -2.373 922 2HH2 ARG 118 HH12 ARG 118 16.426 0.372 -1.153 923 H THR 119 HN THR 119 12.266 -3.682 -5.746 924 HA THR 119 HA THR 119 12.645 -2.991 -8.598 925 HB THR 119 HB THR 119 15.218 -3.667 -7.524 926 HG1 THR 119 HG1 THR 119 15.354 -2.492 -5.801 927 1HG2 THR 119 HG21 THR 119 15.109 -2.423 -9.521 928 2HG2 THR 119 HG22 THR 119 15.646 -1.241 -8.327 929 3HG2 THR 119 HG23 THR 119 13.960 -1.269 -8.844 930 H ALA 120 HN ALA 120 13.400 -4.839 -9.828 931 HA ALA 120 HA ALA 120 14.322 -7.307 -8.867 932 1HB ALA 120 HB1 ALA 120 11.731 -8.262 -9.094 933 2HB ALA 120 HB2 ALA 120 11.507 -6.720 -8.268 934 3HB ALA 120 HB3 ALA 120 12.567 -7.947 -7.574 Start of MODEL 19 1 1H HIS 1 HT1 HIS 1 26.315 9.955 7.064 2 2H HIS 1 HT2 HIS 1 25.447 11.036 6.083 3 3H HIS 1 HT3 HIS 1 26.514 11.627 7.266 4 HA HIS 1 HA HIS 1 27.943 11.822 5.538 5 1HB HIS 1 HB2 HIS 1 27.942 8.847 6.149 6 2HB HIS 1 HB1 HIS 1 29.279 9.730 5.412 7 HD1 HIS 1 HD1 HIS 1 29.528 12.196 7.082 8 HD2 HIS 1 HD2 HIS 1 28.691 8.483 8.781 9 HE1 HIS 1 HE1 HIS 1 30.216 12.350 9.515 10 H MET 2 HN MET 2 28.661 9.680 3.653 11 HA MET 2 HA MET 2 26.195 9.450 1.983 12 1HB MET 2 HB2 MET 2 27.456 10.369 0.078 13 2HB MET 2 HB1 MET 2 27.447 11.523 1.413 14 1HG MET 2 HG2 MET 2 29.700 11.562 1.062 15 2HG MET 2 HG1 MET 2 29.676 10.079 2.015 16 1HE MET 2 HE1 MET 2 29.944 11.692 -1.528 17 2HE MET 2 HE2 MET 2 28.335 10.978 -1.463 18 3HE MET 2 HE3 MET 2 29.536 10.326 -2.575 19 H ALA 3 HN ALA 3 28.127 7.605 3.539 20 HA ALA 3 HA ALA 3 29.065 5.911 1.255 21 1HB ALA 3 HB1 ALA 3 30.461 6.829 3.331 22 2HB ALA 3 HB2 ALA 3 30.756 5.213 2.690 23 3HB ALA 3 HB3 ALA 3 29.759 5.422 4.130 24 H SER 4 HN SER 4 27.391 4.517 0.731 25 HA SER 4 HA SER 4 25.691 2.896 1.018 26 1HB SER 4 HB2 SER 4 26.871 1.996 3.567 27 2HB SER 4 HB1 SER 4 26.639 1.107 2.066 28 HG SER 4 HG SER 4 28.807 2.542 2.978 29 H ARG 5 HN ARG 5 24.727 5.297 1.876 30 HA ARG 5 HA ARG 5 23.924 5.361 4.657 31 1HB ARG 5 HB2 ARG 5 23.246 6.782 2.098 32 2HB ARG 5 HB1 ARG 5 22.252 7.065 3.527 33 1HG ARG 5 HG2 ARG 5 25.063 7.138 4.223 34 2HG ARG 5 HG1 ARG 5 24.718 8.280 2.925 35 1HD ARG 5 HD2 ARG 5 24.310 9.488 4.958 36 2HD ARG 5 HD1 ARG 5 22.701 9.030 4.365 37 HE ARG 5 HE ARG 5 23.845 6.963 6.047 38 1HH1 ARG 5 HH21 ARG 5 24.136 9.237 7.876 39 2HH1 ARG 5 HH22 ARG 5 22.571 9.363 8.608 40 1HH2 ARG 5 HH11 ARG 5 20.992 7.445 6.190 41 2HH2 ARG 5 HH12 ARG 5 20.792 8.348 7.654 42 H ASP 6 HN ASP 6 21.152 5.902 4.470 43 HA ASP 6 HA ASP 6 20.114 3.145 3.993 44 1HB ASP 6 HB2 ASP 6 19.538 5.430 5.825 45 2HB ASP 6 HB1 ASP 6 18.186 4.380 5.399 46 H GLN 7 HN GLN 7 17.916 5.839 4.197 47 HA GLN 7 HA GLN 7 16.379 6.713 2.627 48 1HB GLN 7 HB2 GLN 7 18.717 7.184 1.602 49 2HB GLN 7 HB1 GLN 7 18.364 5.828 0.529 50 1HG GLN 7 HG2 GLN 7 16.076 7.101 0.181 51 2HG GLN 7 HG1 GLN 7 17.012 8.498 0.713 52 1HE2 GLN 7 HE21 GLN 7 16.112 6.871 -2.054 53 2HE2 GLN 7 HE22 GLN 7 17.405 7.309 -3.063 54 H VAL 8 HN VAL 8 14.574 5.805 1.598 55 HA VAL 8 HA VAL 8 14.869 3.036 0.487 56 HB VAL 8 HB VAL 8 14.216 2.646 2.724 57 1HG1 VAL 8 HG11 VAL 8 12.077 4.042 3.514 58 2HG1 VAL 8 HG12 VAL 8 12.721 5.204 2.355 59 3HG1 VAL 8 HG13 VAL 8 13.714 4.667 3.710 60 1HG2 VAL 8 HG21 VAL 8 12.567 1.862 0.767 61 2HG2 VAL 8 HG22 VAL 8 11.444 2.907 1.636 62 3HG2 VAL 8 HG23 VAL 8 12.200 1.545 2.462 63 H LYS 9 HN LYS 9 14.137 3.274 -1.610 64 HA LYS 9 HA LYS 9 11.985 5.178 -2.294 65 1HB LYS 9 HB2 LYS 9 13.682 3.169 -3.798 66 2HB LYS 9 HB1 LYS 9 12.386 4.077 -4.570 67 1HG LYS 9 HG2 LYS 9 13.699 6.098 -3.344 68 2HG LYS 9 HG1 LYS 9 15.043 5.005 -3.669 69 1HD LYS 9 HD2 LYS 9 14.518 4.942 -6.024 70 2HD LYS 9 HD1 LYS 9 13.008 5.811 -5.767 71 1HE LYS 9 HE2 LYS 9 14.057 7.822 -5.817 72 2HE LYS 9 HE1 LYS 9 15.328 7.264 -4.710 73 1HZ LYS 9 HZ1 LYS 9 16.128 5.883 -6.668 74 2HZ LYS 9 HZ2 LYS 9 16.414 7.555 -6.749 75 3HZ LYS 9 HZ3 LYS 9 15.141 6.864 -7.637 76 H ALA 10 HN ALA 10 10.066 4.184 -3.657 77 HA ALA 10 HA ALA 10 9.384 1.433 -3.524 78 1HB ALA 10 HB1 ALA 10 7.693 2.059 -1.440 79 2HB ALA 10 HB2 ALA 10 9.154 2.953 -1.018 80 3HB ALA 10 HB3 ALA 10 9.230 1.209 -1.271 81 H SER 11 HN SER 11 7.146 0.980 -3.993 82 HA SER 11 HA SER 11 5.567 3.342 -4.960 83 1HB SER 11 HB2 SER 11 6.433 1.888 -6.757 84 2HB SER 11 HB1 SER 11 5.765 0.471 -5.952 85 HG SER 11 HG SER 11 3.711 1.274 -6.318 86 H HIS 12 HN HIS 12 3.029 2.538 -5.009 87 HA HIS 12 HA HIS 12 2.497 0.552 -2.906 88 1HB HIS 12 HB2 HIS 12 2.004 1.982 -1.163 89 2HB HIS 12 HB1 HIS 12 3.264 2.907 -1.973 90 HD1 HIS 12 HD1 HIS 12 0.608 3.924 -0.295 91 HD2 HIS 12 HD2 HIS 12 1.293 4.149 -4.400 92 HE1 HIS 12 HE1 HIS 12 -0.887 5.770 -1.169 93 H ILE 13 HN ILE 13 0.180 0.358 -2.366 94 HA ILE 13 HA ILE 13 -1.804 1.594 -4.150 95 HB ILE 13 HB ILE 13 -0.549 -1.032 -4.619 96 1HG1 ILE 13 HG12 ILE 13 -2.161 1.010 -6.129 97 2HG1 ILE 13 HG11 ILE 13 -0.498 0.495 -6.404 98 1HG2 ILE 13 HG21 ILE 13 -2.631 -1.849 -3.583 99 2HG2 ILE 13 HG22 ILE 13 -2.648 -2.158 -5.319 100 3HG2 ILE 13 HG23 ILE 13 -3.580 -0.817 -4.653 101 1HD1 ILE 13 HD11 ILE 13 -1.319 -1.720 -7.162 102 2HD1 ILE 13 HD12 ILE 13 -1.979 -0.417 -8.150 103 3HD1 ILE 13 HD13 ILE 13 -2.980 -1.181 -6.914 104 H LEU 14 HN LEU 14 -3.490 1.971 -2.743 105 HA LEU 14 HA LEU 14 -3.757 0.368 -0.273 106 1HB LEU 14 HB2 LEU 14 -3.938 2.773 -0.127 107 2HB LEU 14 HB1 LEU 14 -5.132 2.812 -1.422 108 HG LEU 14 HG LEU 14 -6.450 1.180 0.221 109 1HD1 LEU 14 HD11 LEU 14 -5.074 2.936 2.233 110 2HD1 LEU 14 HD12 LEU 14 -4.356 1.389 1.781 111 3HD1 LEU 14 HD13 LEU 14 -5.969 1.439 2.493 112 1HD2 LEU 14 HD21 LEU 14 -7.189 3.422 -0.618 113 2HD2 LEU 14 HD22 LEU 14 -6.287 4.175 0.697 114 3HD2 LEU 14 HD23 LEU 14 -7.663 3.131 1.056 115 H ILE 15 HN ILE 15 -5.663 -0.828 0.249 116 HA ILE 15 HA ILE 15 -7.330 -1.588 -2.119 117 HB ILE 15 HB ILE 15 -6.781 -3.041 0.492 118 1HG1 ILE 15 HG12 ILE 15 -5.503 -3.217 -2.249 119 2HG1 ILE 15 HG11 ILE 15 -4.708 -2.894 -0.708 120 1HG2 ILE 15 HG21 ILE 15 -8.892 -3.670 -0.652 121 2HG2 ILE 15 HG22 ILE 15 -7.714 -4.981 -0.691 122 3HG2 ILE 15 HG23 ILE 15 -7.981 -3.993 -2.127 123 1HD1 ILE 15 HD11 ILE 15 -4.244 -5.170 -1.064 124 2HD1 ILE 15 HD12 ILE 15 -5.845 -5.488 -1.730 125 3HD1 ILE 15 HD13 ILE 15 -5.648 -5.217 0.002 126 H LYS 16 HN LYS 16 -8.542 -2.635 0.892 127 HA LYS 16 HA LYS 16 -10.021 -0.337 1.759 128 1HB LYS 16 HB2 LYS 16 -12.254 -1.275 0.784 129 2HB LYS 16 HB1 LYS 16 -11.188 -0.378 -0.298 130 1HG LYS 16 HG2 LYS 16 -10.264 -2.457 -1.178 131 2HG LYS 16 HG1 LYS 16 -11.213 -3.399 -0.027 132 1HD LYS 16 HD2 LYS 16 -13.254 -2.869 -1.091 133 2HD LYS 16 HD1 LYS 16 -12.548 -1.501 -1.953 134 1HE LYS 16 HE2 LYS 16 -11.723 -2.825 -3.631 135 2HE LYS 16 HE1 LYS 16 -11.298 -4.138 -2.516 136 1HZ LYS 16 HZ1 LYS 16 -14.112 -3.416 -3.088 137 2HZ LYS 16 HZ2 LYS 16 -13.514 -4.841 -2.384 138 3HZ LYS 16 HZ3 LYS 16 -13.273 -4.543 -4.039 139 H HIS 17 HN HIS 17 -10.933 -0.859 3.752 140 HA HIS 17 HA HIS 17 -11.933 -3.512 4.391 141 1HB HIS 17 HB2 HIS 17 -10.121 -4.246 5.792 142 2HB HIS 17 HB1 HIS 17 -9.401 -3.756 4.258 143 HD1 HIS 17 HD1 HIS 17 -10.033 -0.604 5.333 144 HD2 HIS 17 HD2 HIS 17 -7.487 -3.504 6.898 145 HE1 HIS 17 HE1 HIS 17 -8.278 0.631 6.675 146 H GLN 18 HN GLN 18 -11.285 -3.401 7.188 147 HA GLN 18 HA GLN 18 -13.236 -1.395 8.069 148 1HB GLN 18 HB2 GLN 18 -11.906 -3.828 9.023 149 2HB GLN 18 HB1 GLN 18 -12.079 -2.610 10.287 150 1HG GLN 18 HG2 GLN 18 -14.433 -3.145 8.523 151 2HG GLN 18 HG1 GLN 18 -14.040 -4.332 9.769 152 1HE2 GLN 18 HE21 GLN 18 -14.994 -0.944 9.248 153 2HE2 GLN 18 HE22 GLN 18 -15.459 -0.651 10.854 154 H GLY 19 HN GLY 19 -11.542 0.329 7.176 155 1HA GLY 19 HA2 GLY 19 -9.478 0.899 9.246 156 2HA GLY 19 HA1 GLY 19 -9.524 1.613 7.634 157 H SER 20 HN SER 20 -12.262 1.324 9.858 158 HA SER 20 HA SER 20 -13.656 2.998 10.777 159 1HB SER 20 HB2 SER 20 -10.864 3.621 11.220 160 2HB SER 20 HB1 SER 20 -11.801 5.106 11.085 161 HG SER 20 HG SER 20 -11.668 4.067 13.229 162 H ARG 21 HN ARG 21 -14.096 5.545 10.471 163 HA ARG 21 HA ARG 21 -14.778 7.241 8.976 164 1HB ARG 21 HB2 ARG 21 -12.134 6.707 8.569 165 2HB ARG 21 HB1 ARG 21 -12.778 6.396 6.957 166 1HG ARG 21 HG2 ARG 21 -12.586 8.644 6.680 167 2HG ARG 21 HG1 ARG 21 -14.076 8.718 7.621 168 1HD ARG 21 HD2 ARG 21 -11.297 8.789 8.853 169 2HD ARG 21 HD1 ARG 21 -12.286 10.229 8.533 170 HE ARG 21 HE ARG 21 -14.067 8.782 9.916 171 1HH1 ARG 21 HH21 ARG 21 -10.797 9.667 10.481 172 2HH1 ARG 21 HH22 ARG 21 -10.826 9.239 12.159 173 1HH2 ARG 21 HH11 ARG 21 -14.072 8.025 12.065 174 2HH2 ARG 21 HH12 ARG 21 -12.681 8.310 13.056 175 H ARG 22 HN ARG 22 -14.944 7.301 6.212 176 HA ARG 22 HA ARG 22 -16.512 4.831 5.540 177 1HB ARG 22 HB2 ARG 22 -18.036 6.471 4.346 178 2HB ARG 22 HB1 ARG 22 -18.015 6.639 6.102 179 1HG ARG 22 HG2 ARG 22 -17.217 8.740 5.960 180 2HG ARG 22 HG1 ARG 22 -15.906 8.222 4.898 181 1HD ARG 22 HD2 ARG 22 -17.012 8.894 3.017 182 2HD ARG 22 HD1 ARG 22 -18.572 8.291 3.611 183 HE ARG 22 HE ARG 22 -18.422 10.341 5.223 184 1HH1 ARG 22 HH21 ARG 22 -15.862 11.232 3.763 185 2HH1 ARG 22 HH22 ARG 22 -16.499 12.466 2.728 186 1HH2 ARG 22 HH11 ARG 22 -19.799 11.485 3.147 187 2HH2 ARG 22 HH12 ARG 22 -18.728 12.609 2.379 188 H LYS 23 HN LYS 23 -15.196 3.860 4.007 189 HA LYS 23 HA LYS 23 -14.000 3.588 1.988 190 1HB LYS 23 HB2 LYS 23 -15.726 6.019 1.417 191 2HB LYS 23 HB1 LYS 23 -14.835 5.136 0.177 192 1HG LYS 23 HG2 LYS 23 -16.092 3.060 1.327 193 2HG LYS 23 HG1 LYS 23 -17.261 4.326 1.705 194 1HD LYS 23 HD2 LYS 23 -17.693 4.785 -0.548 195 2HD LYS 23 HD1 LYS 23 -16.159 4.098 -1.083 196 1HE LYS 23 HE2 LYS 23 -17.928 2.170 0.294 197 2HE LYS 23 HE1 LYS 23 -18.551 2.773 -1.254 198 1HZ LYS 23 HZ1 LYS 23 -16.692 2.061 -2.389 199 2HZ LYS 23 HZ2 LYS 23 -16.881 0.811 -1.254 200 3HZ LYS 23 HZ3 LYS 23 -15.715 2.021 -1.004 201 H ALA 24 HN ALA 24 -14.169 7.057 1.505 202 HA ALA 24 HA ALA 24 -11.557 7.634 2.689 203 1HB ALA 24 HB1 ALA 24 -10.465 6.718 0.903 204 2HB ALA 24 HB2 ALA 24 -10.928 8.209 0.083 205 3HB ALA 24 HB3 ALA 24 -11.906 6.755 -0.113 206 H SER 25 HN SER 25 -12.710 8.994 -0.354 207 HA SER 25 HA SER 25 -14.111 11.232 0.933 208 1HB SER 25 HB2 SER 25 -11.291 11.263 0.564 209 2HB SER 25 HB1 SER 25 -11.974 12.376 -0.619 210 HG SER 25 HG SER 25 -11.911 13.621 1.121 211 H TRP 26 HN TRP 26 -15.023 9.414 -0.999 212 HA TRP 26 HA TRP 26 -14.934 10.955 -3.567 213 1HB TRP 26 HB2 TRP 26 -14.850 8.161 -2.783 214 2HB TRP 26 HB1 TRP 26 -16.176 8.448 -3.908 215 HD1 TRP 26 HD1 TRP 26 -12.566 7.829 -3.838 216 HE1 TRP 26 HE1 TRP 26 -11.494 8.353 -6.123 217 HE3 TRP 26 HE3 TRP 26 -16.400 10.380 -6.051 218 HZ2 TRP 26 HZ2 TRP 26 -12.171 9.677 -8.564 219 HZ3 TRP 26 HZ3 TRP 26 -16.157 11.260 -8.355 220 HH2 TRP 26 HH2 TRP 26 -14.050 10.912 -9.613 221 H LYS 27 HN LYS 27 -16.625 12.454 -3.281 222 HA LYS 27 HA LYS 27 -18.836 13.223 -2.882 223 1HB LYS 27 HB2 LYS 27 -18.889 10.713 -4.523 224 2HB LYS 27 HB1 LYS 27 -20.427 11.428 -4.038 225 1HG LYS 27 HG2 LYS 27 -19.737 13.586 -5.021 226 2HG LYS 27 HG1 LYS 27 -18.204 12.868 -5.516 227 1HD LYS 27 HD2 LYS 27 -19.144 11.954 -7.349 228 2HD LYS 27 HD1 LYS 27 -20.435 11.231 -6.389 229 1HE LYS 27 HE2 LYS 27 -20.372 14.106 -7.381 230 2HE LYS 27 HE1 LYS 27 -21.407 12.807 -8.009 231 1HZ LYS 27 HZ1 LYS 27 -21.559 14.232 -5.469 232 2HZ LYS 27 HZ2 LYS 27 -21.883 12.565 -5.421 233 3HZ LYS 27 HZ3 LYS 27 -22.803 13.584 -6.422 234 H ASP 28 HN ASP 28 -20.096 9.987 -2.764 235 HA ASP 28 HA ASP 28 -21.387 8.986 -1.035 236 1HB ASP 28 HB2 ASP 28 -18.774 8.597 -0.816 237 2HB ASP 28 HB1 ASP 28 -18.980 9.529 0.667 238 HA PRO 29 HA PRO 29 -22.362 12.983 1.101 239 1HB PRO 29 HB2 PRO 29 -25.039 12.934 0.525 240 2HB PRO 29 HB1 PRO 29 -23.829 13.644 -0.564 241 1HG PRO 29 HG2 PRO 29 -25.168 10.989 -0.697 242 2HG PRO 29 HG1 PRO 29 -24.742 12.105 -2.004 243 1HD PRO 29 HD2 PRO 29 -23.293 9.876 -1.400 244 2HD PRO 29 HD1 PRO 29 -22.591 11.332 -2.140 245 H GLU 30 HN GLU 30 -21.803 11.221 2.828 246 HA GLU 30 HA GLU 30 -22.431 10.144 4.835 247 1HB GLU 30 HB2 GLU 30 -24.595 12.070 4.132 248 2HB GLU 30 HB1 GLU 30 -24.960 10.892 5.394 249 1HG GLU 30 HG2 GLU 30 -24.008 12.604 6.650 250 2HG GLU 30 HG1 GLU 30 -22.592 11.606 6.317 251 H GLY 31 HN GLY 31 -23.355 8.147 5.395 252 1HA GLY 31 HA2 GLY 31 -25.715 7.066 4.153 253 2HA GLY 31 HA1 GLY 31 -24.269 6.400 3.394 254 H LYS 32 HN LYS 32 -23.364 4.650 4.367 255 HA LYS 32 HA LYS 32 -23.181 4.277 7.209 256 1HB LYS 32 HB2 LYS 32 -24.871 2.282 7.150 257 2HB LYS 32 HB1 LYS 32 -25.503 3.920 7.286 258 1HG LYS 32 HG2 LYS 32 -26.835 2.988 5.593 259 2HG LYS 32 HG1 LYS 32 -25.603 3.846 4.674 260 1HD LYS 32 HD2 LYS 32 -24.407 1.402 5.062 261 2HD LYS 32 HD1 LYS 32 -26.105 0.954 4.899 262 1HE LYS 32 HE2 LYS 32 -25.219 2.975 2.939 263 2HE LYS 32 HE1 LYS 32 -24.433 1.393 2.766 264 1HZ LYS 32 HZ1 LYS 32 -27.355 1.898 2.970 265 2HZ LYS 32 HZ2 LYS 32 -26.640 0.357 2.951 266 3HZ LYS 32 HZ3 LYS 32 -26.522 1.369 1.591 267 H ILE 33 HN ILE 33 -22.702 1.781 7.634 268 HA ILE 33 HA ILE 33 -20.733 0.971 5.562 269 HB ILE 33 HB ILE 33 -19.971 -0.522 7.420 270 1HG1 ILE 33 HG12 ILE 33 -21.998 0.864 9.167 271 2HG1 ILE 33 HG11 ILE 33 -22.421 -0.625 8.321 272 1HG2 ILE 33 HG21 ILE 33 -18.997 1.213 8.677 273 2HG2 ILE 33 HG22 ILE 33 -20.429 2.234 8.549 274 3HG2 ILE 33 HG23 ILE 33 -19.383 2.002 7.148 275 1HD1 ILE 33 HD11 ILE 33 -21.196 -1.893 9.735 276 2HD1 ILE 33 HD12 ILE 33 -21.134 -0.472 10.778 277 3HD1 ILE 33 HD13 ILE 33 -19.819 -0.796 9.648 278 H ILE 34 HN ILE 34 -20.611 -1.393 5.020 279 HA ILE 34 HA ILE 34 -23.307 -2.711 5.087 280 HB ILE 34 HB ILE 34 -21.266 -2.419 2.866 281 1HG1 ILE 34 HG12 ILE 34 -22.820 -0.536 3.156 282 2HG1 ILE 34 HG11 ILE 34 -23.218 -1.423 1.684 283 1HG2 ILE 34 HG21 ILE 34 -23.255 -4.516 3.367 284 2HG2 ILE 34 HG22 ILE 34 -21.932 -4.481 2.201 285 3HG2 ILE 34 HG23 ILE 34 -23.474 -3.721 1.808 286 1HD1 ILE 34 HD11 ILE 34 -25.306 -1.086 2.764 287 2HD1 ILE 34 HD12 ILE 34 -24.642 -1.491 4.347 288 3HD1 ILE 34 HD13 ILE 34 -24.873 -2.754 3.139 289 H LEU 35 HN LEU 35 -20.308 -3.920 3.654 290 HA LEU 35 HA LEU 35 -19.398 -5.500 5.863 291 1HB LEU 35 HB2 LEU 35 -21.832 -6.331 5.089 292 2HB LEU 35 HB1 LEU 35 -20.863 -7.243 3.931 293 HG LEU 35 HG LEU 35 -19.544 -7.500 6.415 294 1HD1 LEU 35 HD11 LEU 35 -22.288 -8.534 6.879 295 2HD1 LEU 35 HD12 LEU 35 -22.078 -6.793 7.066 296 3HD1 LEU 35 HD13 LEU 35 -21.111 -7.907 8.033 297 1HD2 LEU 35 HD21 LEU 35 -21.015 -9.845 5.947 298 2HD2 LEU 35 HD22 LEU 35 -19.387 -9.494 5.369 299 3HD2 LEU 35 HD23 LEU 35 -20.781 -9.132 4.351 300 H THR 36 HN THR 36 -18.334 -4.012 3.554 301 HA THR 36 HA THR 36 -17.348 -5.841 1.546 302 HB THR 36 HB THR 36 -15.609 -3.698 1.643 303 HG1 THR 36 HG1 THR 36 -17.030 -1.945 2.171 304 1HG2 THR 36 HG21 THR 36 -18.015 -2.855 0.354 305 2HG2 THR 36 HG22 THR 36 -17.840 -4.593 0.111 306 3HG2 THR 36 HG23 THR 36 -16.549 -3.499 -0.384 307 H THR 37 HN THR 37 -14.604 -5.377 1.464 308 HA THR 37 HA THR 37 -13.436 -7.396 2.961 309 HB THR 37 HB THR 37 -12.421 -4.747 1.923 310 HG1 THR 37 HG1 THR 37 -12.512 -7.416 1.115 311 1HG2 THR 37 HG21 THR 37 -10.803 -6.971 3.201 312 2HG2 THR 37 HG22 THR 37 -10.983 -5.327 3.815 313 3HG2 THR 37 HG23 THR 37 -10.122 -5.614 2.303 314 H THR 38 HN THR 38 -12.397 -7.510 5.004 315 HA THR 38 HA THR 38 -12.872 -5.204 6.853 316 HB THR 38 HB THR 38 -13.045 -7.456 8.423 317 HG1 THR 38 HG1 THR 38 -14.413 -8.025 6.015 318 1HG2 THR 38 HG21 THR 38 -15.134 -5.845 6.961 319 2HG2 THR 38 HG22 THR 38 -14.635 -5.717 8.647 320 3HG2 THR 38 HG23 THR 38 -15.576 -7.108 8.109 321 H ARG 39 HN ARG 39 -11.548 -5.881 9.041 322 HA ARG 39 HA ARG 39 -8.828 -5.556 8.592 323 1HB ARG 39 HB2 ARG 39 -10.592 -6.214 10.732 324 2HB ARG 39 HB1 ARG 39 -9.205 -7.300 10.838 325 1HG ARG 39 HG2 ARG 39 -7.785 -5.152 10.449 326 2HG ARG 39 HG1 ARG 39 -9.249 -4.291 10.925 327 1HD ARG 39 HD2 ARG 39 -9.242 -5.955 12.965 328 2HD ARG 39 HD1 ARG 39 -7.520 -6.120 12.568 329 HE ARG 39 HE ARG 39 -7.259 -3.713 12.906 330 1HH1 ARG 39 HH11 ARG 39 -9.090 -5.013 15.169 331 2HH1 ARG 39 HH12 ARG 39 -10.153 -3.674 15.445 332 1HH2 ARG 39 HH21 ARG 39 -9.179 -1.969 12.589 333 2HH2 ARG 39 HH22 ARG 39 -10.204 -1.952 13.985 334 H GLU 40 HN GLU 40 -10.329 -8.714 9.337 335 HA GLU 40 HA GLU 40 -8.030 -10.278 8.642 336 1HB GLU 40 HB2 GLU 40 -10.022 -10.935 10.043 337 2HB GLU 40 HB1 GLU 40 -10.971 -11.024 8.558 338 1HG GLU 40 HG2 GLU 40 -10.015 -12.987 7.916 339 2HG GLU 40 HG1 GLU 40 -8.414 -12.499 8.472 340 H ALA 41 HN ALA 41 -11.123 -10.046 6.839 341 HA ALA 41 HA ALA 41 -10.396 -11.240 4.447 342 1HB ALA 41 HB1 ALA 41 -12.506 -10.521 4.079 343 2HB ALA 41 HB2 ALA 41 -11.887 -8.887 3.836 344 3HB ALA 41 HB3 ALA 41 -12.375 -9.415 5.447 345 H ALA 42 HN ALA 42 -9.750 -7.884 5.427 346 HA ALA 42 HA ALA 42 -8.679 -6.794 3.101 347 1HB ALA 42 HB1 ALA 42 -7.239 -5.487 4.715 348 2HB ALA 42 HB2 ALA 42 -7.774 -6.586 5.986 349 3HB ALA 42 HB3 ALA 42 -8.943 -5.552 5.167 350 H VAL 43 HN VAL 43 -6.655 -8.331 5.621 351 HA VAL 43 HA VAL 43 -4.260 -8.527 4.199 352 HB VAL 43 HB VAL 43 -5.580 -10.455 6.134 353 1HG1 VAL 43 HG11 VAL 43 -2.981 -10.905 6.533 354 2HG1 VAL 43 HG12 VAL 43 -2.885 -10.431 4.837 355 3HG1 VAL 43 HG13 VAL 43 -3.887 -11.802 5.314 356 1HG2 VAL 43 HG21 VAL 43 -4.706 -7.858 6.504 357 2HG2 VAL 43 HG22 VAL 43 -3.304 -8.808 6.996 358 3HG2 VAL 43 HG23 VAL 43 -4.862 -9.066 7.779 359 H GLU 44 HN GLU 44 -6.994 -10.814 4.172 360 HA GLU 44 HA GLU 44 -5.907 -12.764 2.427 361 1HB GLU 44 HB2 GLU 44 -8.367 -12.106 3.661 362 2HB GLU 44 HB1 GLU 44 -8.717 -12.268 1.940 363 1HG GLU 44 HG2 GLU 44 -8.952 -14.451 2.981 364 2HG GLU 44 HG1 GLU 44 -7.516 -14.469 1.958 365 H GLN 45 HN GLN 45 -7.651 -9.748 1.714 366 HA GLN 45 HA GLN 45 -7.617 -10.076 -1.162 367 1HB GLN 45 HB2 GLN 45 -8.793 -8.416 0.726 368 2HB GLN 45 HB1 GLN 45 -7.665 -7.342 -0.101 369 1HG GLN 45 HG2 GLN 45 -9.782 -9.068 -1.417 370 2HG GLN 45 HG1 GLN 45 -9.814 -7.311 -1.264 371 1HE2 GLN 45 HE21 GLN 45 -7.508 -6.337 -2.121 372 2HE2 GLN 45 HE22 GLN 45 -7.054 -6.924 -3.648 373 H LEU 46 HN LEU 46 -5.704 -8.037 1.060 374 HA LEU 46 HA LEU 46 -3.858 -7.093 -0.932 375 1HB LEU 46 HB2 LEU 46 -4.456 -6.346 1.534 376 2HB LEU 46 HB1 LEU 46 -3.153 -7.454 1.968 377 HG LEU 46 HG LEU 46 -2.569 -5.597 -0.269 378 1HD1 LEU 46 HD11 LEU 46 -3.881 -4.386 1.712 379 2HD1 LEU 46 HD12 LEU 46 -2.478 -3.634 0.950 380 3HD1 LEU 46 HD13 LEU 46 -2.301 -4.475 2.490 381 1HD2 LEU 46 HD21 LEU 46 -1.159 -7.338 1.336 382 2HD2 LEU 46 HD22 LEU 46 -0.806 -5.778 2.079 383 3HD2 LEU 46 HD23 LEU 46 -0.437 -6.046 0.376 384 H LYS 47 HN LYS 47 -4.196 -10.111 0.704 385 HA LYS 47 HA LYS 47 -1.405 -10.942 0.512 386 1HB LYS 47 HB2 LYS 47 -2.978 -11.826 2.189 387 2HB LYS 47 HB1 LYS 47 -4.008 -12.457 0.904 388 1HG LYS 47 HG2 LYS 47 -2.258 -13.977 0.176 389 2HG LYS 47 HG1 LYS 47 -1.118 -13.270 1.322 390 1HD LYS 47 HD2 LYS 47 -3.724 -14.489 2.239 391 2HD LYS 47 HD1 LYS 47 -2.272 -15.468 2.023 392 1HE LYS 47 HE2 LYS 47 -1.677 -13.034 3.516 393 2HE LYS 47 HE1 LYS 47 -2.929 -14.006 4.318 394 1HZ LYS 47 HZ1 LYS 47 -0.412 -14.598 4.621 395 2HZ LYS 47 HZ2 LYS 47 -0.621 -15.373 3.124 396 3HZ LYS 47 HZ3 LYS 47 -1.570 -15.826 4.459 397 H SER 48 HN SER 48 -4.376 -11.466 -1.358 398 HA SER 48 HA SER 48 -3.056 -13.145 -3.366 399 1HB SER 48 HB2 SER 48 -5.686 -11.706 -3.679 400 2HB SER 48 HB1 SER 48 -5.236 -13.314 -4.236 401 HG SER 48 HG SER 48 -5.885 -14.069 -2.395 402 H ILE 49 HN ILE 49 -3.758 -9.723 -2.908 403 HA ILE 49 HA ILE 49 -3.422 -8.903 -5.642 404 HB ILE 49 HB ILE 49 -4.258 -7.743 -3.347 405 1HG1 ILE 49 HG12 ILE 49 -4.795 -6.877 -5.524 406 2HG1 ILE 49 HG11 ILE 49 -4.073 -5.556 -4.606 407 1HG2 ILE 49 HG21 ILE 49 -1.403 -6.817 -3.752 408 2HG2 ILE 49 HG22 ILE 49 -2.130 -7.463 -2.281 409 3HG2 ILE 49 HG23 ILE 49 -2.605 -5.874 -2.874 410 1HD1 ILE 49 HD11 ILE 49 -3.071 -6.934 -7.005 411 2HD1 ILE 49 HD12 ILE 49 -1.861 -6.734 -5.738 412 3HD1 ILE 49 HD13 ILE 49 -2.693 -5.324 -6.392 413 H ARG 50 HN ARG 50 -1.118 -8.895 -2.892 414 HA ARG 50 HA ARG 50 1.174 -8.172 -4.475 415 1HB ARG 50 HB2 ARG 50 2.375 -8.680 -2.490 416 2HB ARG 50 HB1 ARG 50 0.780 -8.237 -1.891 417 1HG ARG 50 HG2 ARG 50 0.157 -10.541 -1.600 418 2HG ARG 50 HG1 ARG 50 1.589 -11.100 -2.465 419 1HD ARG 50 HD2 ARG 50 3.024 -10.612 -0.683 420 2HD ARG 50 HD1 ARG 50 1.926 -9.395 -0.005 421 HE ARG 50 HE ARG 50 0.411 -11.286 0.633 422 1HH1 ARG 50 HH11 ARG 50 2.552 -12.932 -1.170 423 2HH1 ARG 50 HH12 ARG 50 3.116 -14.006 0.067 424 1HH2 ARG 50 HH21 ARG 50 1.619 -12.248 2.651 425 2HH2 ARG 50 HH22 ARG 50 2.589 -13.619 2.226 426 H GLU 51 HN GLU 51 -0.425 -11.193 -3.660 427 HA GLU 51 HA GLU 51 1.465 -13.062 -4.741 428 1HB GLU 51 HB2 GLU 51 -0.449 -13.585 -3.263 429 2HB GLU 51 HB1 GLU 51 -1.569 -13.057 -4.506 430 1HG GLU 51 HG2 GLU 51 -1.071 -15.612 -4.241 431 2HG GLU 51 HG1 GLU 51 -1.169 -14.912 -5.852 432 H ASP 52 HN ASP 52 -1.420 -11.503 -6.090 433 HA ASP 52 HA ASP 52 -1.203 -12.522 -8.759 434 1HB ASP 52 HB2 ASP 52 -2.701 -10.565 -7.225 435 2HB ASP 52 HB1 ASP 52 -2.293 -9.905 -8.809 436 H ILE 53 HN ILE 53 -0.067 -9.463 -7.287 437 HA ILE 53 HA ILE 53 1.336 -8.486 -9.599 438 HB ILE 53 HB ILE 53 1.697 -8.083 -6.608 439 1HG1 ILE 53 HG12 ILE 53 0.231 -6.503 -8.745 440 2HG1 ILE 53 HG11 ILE 53 -0.505 -7.404 -7.419 441 1HG2 ILE 53 HG21 ILE 53 3.720 -7.475 -7.971 442 2HG2 ILE 53 HG22 ILE 53 2.977 -6.099 -7.157 443 3HG2 ILE 53 HG23 ILE 53 2.709 -6.352 -8.881 444 1HD1 ILE 53 HD11 ILE 53 1.269 -4.958 -7.194 445 2HD1 ILE 53 HD12 ILE 53 0.755 -5.929 -5.814 446 3HD1 ILE 53 HD13 ILE 53 -0.442 -5.070 -6.783 447 H VAL 54 HN VAL 54 1.985 -10.908 -7.216 448 HA VAL 54 HA VAL 54 4.870 -11.049 -7.581 449 HB VAL 54 HB VAL 54 2.676 -12.404 -6.118 450 1HG1 VAL 54 HG11 VAL 54 4.090 -14.370 -5.547 451 2HG1 VAL 54 HG12 VAL 54 5.239 -13.876 -6.791 452 3HG1 VAL 54 HG13 VAL 54 3.604 -14.361 -7.242 453 1HG2 VAL 54 HG21 VAL 54 5.527 -11.604 -5.500 454 2HG2 VAL 54 HG22 VAL 54 4.451 -12.369 -4.331 455 3HG2 VAL 54 HG23 VAL 54 4.051 -10.784 -4.990 456 H SER 55 HN SER 55 2.223 -13.298 -8.461 457 HA SER 55 HA SER 55 3.948 -14.437 -10.604 458 1HB SER 55 HB2 SER 55 1.303 -15.574 -10.372 459 2HB SER 55 HB1 SER 55 2.858 -16.331 -10.052 460 HG SER 55 HG SER 55 2.334 -16.192 -8.028 461 H GLY 56 HN GLY 56 3.460 -14.133 -12.777 462 1HA GLY 56 HA2 GLY 56 2.100 -13.550 -14.652 463 2HA GLY 56 HA1 GLY 56 0.871 -12.947 -13.536 464 H LYS 57 HN LYS 57 3.289 -12.005 -15.652 465 HA LYS 57 HA LYS 57 4.333 -9.650 -14.385 466 1HB LYS 57 HB2 LYS 57 5.242 -10.858 -16.388 467 2HB LYS 57 HB1 LYS 57 3.880 -10.246 -17.327 468 1HG LYS 57 HG2 LYS 57 6.014 -8.878 -17.508 469 2HG LYS 57 HG1 LYS 57 4.581 -7.971 -17.024 470 1HD LYS 57 HD2 LYS 57 5.320 -7.681 -14.859 471 2HD LYS 57 HD1 LYS 57 6.240 -9.186 -14.861 472 1HE LYS 57 HE2 LYS 57 7.451 -7.583 -16.841 473 2HE LYS 57 HE1 LYS 57 7.170 -6.508 -15.457 474 1HZ LYS 57 HZ1 LYS 57 8.245 -7.998 -14.005 475 2HZ LYS 57 HZ2 LYS 57 9.264 -7.887 -15.360 476 3HZ LYS 57 HZ3 LYS 57 8.264 -9.245 -15.155 477 H ALA 58 HN ALA 58 1.721 -9.448 -13.680 478 HA ALA 58 HA ALA 58 -0.031 -8.082 -15.474 479 1HB ALA 58 HB1 ALA 58 -0.414 -7.315 -12.741 480 2HB ALA 58 HB2 ALA 58 0.126 -8.994 -12.774 481 3HB ALA 58 HB3 ALA 58 -1.315 -8.513 -13.671 482 H ASN 59 HN ASN 59 -0.748 -5.758 -14.042 483 HA ASN 59 HA ASN 59 1.603 -3.988 -14.606 484 1HB ASN 59 HB2 ASN 59 -1.085 -4.037 -15.474 485 2HB ASN 59 HB1 ASN 59 -0.969 -2.671 -14.364 486 1HD2 ASN 59 HD21 ASN 59 -1.103 -2.829 -17.450 487 2HD2 ASN 59 HD22 ASN 59 0.204 -1.872 -17.959 488 H PHE 60 HN PHE 60 0.315 -1.729 -13.283 489 HA PHE 60 HA PHE 60 -0.238 -2.376 -10.509 490 1HB PHE 60 HB2 PHE 60 2.202 -2.926 -10.765 491 2HB PHE 60 HB1 PHE 60 2.491 -1.240 -11.193 492 HD1 PHE 60 HD1 PHE 60 1.939 0.576 -9.531 493 HD2 PHE 60 HD2 PHE 60 1.898 -3.593 -8.495 494 HE1 PHE 60 HE1 PHE 60 2.023 1.172 -7.125 495 HE2 PHE 60 HE2 PHE 60 1.981 -2.996 -6.090 496 HZ PHE 60 HZ PHE 60 2.045 -0.614 -5.405 497 H GLU 61 HN GLU 61 0.938 0.012 -12.844 498 HA GLU 61 HA GLU 61 0.387 2.389 -11.381 499 1HB GLU 61 HB2 GLU 61 0.446 1.631 -14.306 500 2HB GLU 61 HB1 GLU 61 0.161 3.294 -13.792 501 1HG GLU 61 HG2 GLU 61 2.331 2.632 -12.264 502 2HG GLU 61 HG1 GLU 61 2.650 1.709 -13.734 503 H GLU 62 HN GLU 62 -1.566 1.786 -14.250 504 HA GLU 62 HA GLU 62 -3.896 3.054 -13.427 505 1HB GLU 62 HB2 GLU 62 -3.039 1.472 -15.540 506 2HB GLU 62 HB1 GLU 62 -4.379 0.538 -14.870 507 1HG GLU 62 HG2 GLU 62 -5.899 2.001 -15.663 508 2HG GLU 62 HG1 GLU 62 -5.021 3.371 -14.980 509 H VAL 63 HN VAL 63 -2.753 -0.170 -12.540 510 HA VAL 63 HA VAL 63 -5.149 -1.181 -11.353 511 HB VAL 63 HB VAL 63 -2.225 -1.583 -10.628 512 1HG1 VAL 63 HG11 VAL 63 -3.224 -2.691 -8.891 513 2HG1 VAL 63 HG12 VAL 63 -3.444 -3.946 -10.111 514 3HG1 VAL 63 HG13 VAL 63 -4.765 -2.838 -9.738 515 1HG2 VAL 63 HG21 VAL 63 -2.226 -3.384 -12.206 516 2HG2 VAL 63 HG22 VAL 63 -2.937 -2.004 -13.043 517 3HG2 VAL 63 HG23 VAL 63 -3.975 -3.286 -12.417 518 H ALA 64 HN ALA 64 -2.523 0.843 -10.117 519 HA ALA 64 HA ALA 64 -3.513 0.972 -7.394 520 1HB ALA 64 HB1 ALA 64 -1.677 2.835 -8.937 521 2HB ALA 64 HB2 ALA 64 -1.155 1.322 -8.195 522 3HB ALA 64 HB3 ALA 64 -1.744 2.642 -7.185 523 H THR 65 HN THR 65 -3.360 3.469 -9.964 524 HA THR 65 HA THR 65 -4.784 5.543 -8.884 525 HB THR 65 HB THR 65 -5.853 5.253 -11.454 526 HG1 THR 65 HG1 THR 65 -4.603 3.314 -11.588 527 1HG2 THR 65 HG21 THR 65 -3.405 6.519 -10.274 528 2HG2 THR 65 HG22 THR 65 -4.842 7.289 -10.945 529 3HG2 THR 65 HG23 THR 65 -3.646 6.565 -12.020 530 H ARG 66 HN ARG 66 -6.150 2.446 -9.917 531 HA ARG 66 HA ARG 66 -8.926 3.334 -9.516 532 1HB ARG 66 HB2 ARG 66 -8.066 1.647 -11.218 533 2HB ARG 66 HB1 ARG 66 -7.807 0.542 -9.867 534 1HG ARG 66 HG2 ARG 66 -10.216 0.796 -9.253 535 2HG ARG 66 HG1 ARG 66 -10.445 1.782 -10.699 536 1HD ARG 66 HD2 ARG 66 -10.384 -0.033 -12.093 537 2HD ARG 66 HD1 ARG 66 -9.109 -0.831 -11.152 538 HE ARG 66 HE ARG 66 -10.910 -1.357 -9.449 539 1HH1 ARG 66 HH11 ARG 66 -12.690 0.436 -11.443 540 2HH1 ARG 66 HH12 ARG 66 -13.781 -0.799 -11.975 541 1HH2 ARG 66 HH21 ARG 66 -11.892 -3.398 -10.673 542 2HH2 ARG 66 HH22 ARG 66 -13.329 -2.970 -11.538 543 H VAL 67 HN VAL 67 -7.051 0.661 -8.094 544 HA VAL 67 HA VAL 67 -8.631 0.883 -5.589 545 HB VAL 67 HB VAL 67 -8.429 -1.326 -6.555 546 1HG1 VAL 67 HG11 VAL 67 -5.573 -0.489 -6.889 547 2HG1 VAL 67 HG12 VAL 67 -6.637 -1.319 -8.025 548 3HG1 VAL 67 HG13 VAL 67 -5.925 -2.204 -6.675 549 1HG2 VAL 67 HG21 VAL 67 -7.334 -0.655 -3.999 550 2HG2 VAL 67 HG22 VAL 67 -6.379 -1.976 -4.671 551 3HG2 VAL 67 HG23 VAL 67 -8.123 -2.155 -4.485 552 H SER 68 HN SER 68 -7.355 3.041 -5.393 553 HA SER 68 HA SER 68 -4.745 2.525 -3.997 554 1HB SER 68 HB2 SER 68 -4.444 5.006 -4.923 555 2HB SER 68 HB1 SER 68 -4.137 3.606 -5.951 556 HG SER 68 HG SER 68 -6.195 3.815 -6.799 557 H ASP 69 HN ASP 69 -4.273 4.953 -2.875 558 HA ASP 69 HA ASP 69 -6.452 5.197 -0.893 559 1HB ASP 69 HB2 ASP 69 -4.413 5.020 0.190 560 2HB ASP 69 HB1 ASP 69 -3.542 5.871 -1.080 561 H CYS 70 HN CYS 70 -7.917 6.230 -2.388 562 HA CYS 70 HA CYS 70 -8.793 8.051 -3.604 563 1HB CYS 70 HB2 CYS 70 -9.421 8.272 -1.240 564 2HB CYS 70 HB1 CYS 70 -7.947 9.190 -0.929 565 HG CYS 70 HG CYS 70 -9.932 10.332 -3.033 566 H SER 71 HN SER 71 -6.940 10.439 -1.912 567 HA SER 71 HA SER 71 -6.002 11.846 -4.145 568 1HB SER 71 HB2 SER 71 -5.896 12.494 -1.718 569 2HB SER 71 HB1 SER 71 -4.582 11.350 -1.503 570 HG SER 71 HG SER 71 -3.266 12.715 -2.423 571 H SER 72 HN SER 72 -4.329 9.313 -2.305 572 HA SER 72 HA SER 72 -1.989 9.086 -3.868 573 1HB SER 72 HB2 SER 72 -3.705 7.151 -2.314 574 2HB SER 72 HB1 SER 72 -2.229 6.607 -3.103 575 HG SER 72 HG SER 72 -1.115 7.566 -1.601 576 H ALA 73 HN ALA 73 -5.301 7.940 -4.484 577 HA ALA 73 HA ALA 73 -4.801 6.165 -6.629 578 1HB ALA 73 HB1 ALA 73 -7.004 7.040 -5.456 579 2HB ALA 73 HB2 ALA 73 -7.073 6.518 -7.139 580 3HB ALA 73 HB3 ALA 73 -6.983 8.236 -6.751 581 H LYS 74 HN LYS 74 -4.946 9.703 -6.537 582 HA LYS 74 HA LYS 74 -4.497 10.170 -9.343 583 1HB LYS 74 HB2 LYS 74 -5.290 11.822 -7.626 584 2HB LYS 74 HB1 LYS 74 -3.687 11.790 -6.892 585 1HG LYS 74 HG2 LYS 74 -3.516 13.643 -8.308 586 2HG LYS 74 HG1 LYS 74 -2.868 12.358 -9.328 587 1HD LYS 74 HD2 LYS 74 -5.677 12.315 -9.685 588 2HD LYS 74 HD1 LYS 74 -5.191 14.008 -9.772 589 1HE LYS 74 HE2 LYS 74 -4.440 13.640 -11.877 590 2HE LYS 74 HE1 LYS 74 -3.243 12.506 -11.220 591 1HZ LYS 74 HZ1 LYS 74 -5.143 11.697 -12.842 592 2HZ LYS 74 HZ2 LYS 74 -6.023 11.610 -11.391 593 3HZ LYS 74 HZ3 LYS 74 -4.586 10.721 -11.572 594 H ARG 75 HN ARG 75 -2.493 9.333 -6.635 595 HA ARG 75 HA ARG 75 -0.013 9.352 -8.325 596 1HB ARG 75 HB2 ARG 75 -0.181 10.902 -6.321 597 2HB ARG 75 HB1 ARG 75 -0.335 9.471 -5.306 598 1HG ARG 75 HG2 ARG 75 1.888 8.940 -6.915 599 2HG ARG 75 HG1 ARG 75 2.053 10.640 -6.473 600 1HD ARG 75 HD2 ARG 75 1.196 9.025 -4.196 601 2HD ARG 75 HD1 ARG 75 2.753 8.481 -4.853 602 HE ARG 75 HE ARG 75 3.236 11.094 -4.842 603 1HH1 ARG 75 HH21 ARG 75 2.343 8.896 -2.417 604 2HH1 ARG 75 HH22 ARG 75 2.320 10.067 -1.142 605 1HH2 ARG 75 HH11 ARG 75 2.842 12.768 -3.254 606 2HH2 ARG 75 HH12 ARG 75 2.602 12.260 -1.615 607 H GLY 76 HN GLY 76 -1.931 7.221 -8.362 608 1HA GLY 76 HA2 GLY 76 -1.418 5.131 -6.498 609 2HA GLY 76 HA1 GLY 76 -2.120 4.908 -8.101 610 H GLY 77 HN GLY 77 0.563 6.423 -8.896 611 1HA GLY 77 HA2 GLY 77 1.898 4.097 -9.861 612 2HA GLY 77 HA1 GLY 77 2.620 5.705 -9.767 613 H ASP 78 HN ASP 78 4.063 6.129 -8.144 614 HA ASP 78 HA ASP 78 4.248 4.253 -5.848 615 1HB ASP 78 HB2 ASP 78 6.641 3.837 -6.387 616 2HB ASP 78 HB1 ASP 78 5.578 3.280 -7.679 617 H LEU 79 HN LEU 79 5.745 5.065 -4.180 618 HA LEU 79 HA LEU 79 5.514 7.878 -3.673 619 1HB LEU 79 HB2 LEU 79 7.176 5.596 -2.584 620 2HB LEU 79 HB1 LEU 79 7.333 7.226 -1.935 621 HG LEU 79 HG LEU 79 4.934 7.256 -1.386 622 1HD1 LEU 79 HD11 LEU 79 4.998 4.475 -2.586 623 2HD1 LEU 79 HD12 LEU 79 4.039 5.850 -3.136 624 3HD1 LEU 79 HD13 LEU 79 3.672 5.077 -1.593 625 1HD2 LEU 79 HD21 LEU 79 6.820 6.076 0.053 626 2HD2 LEU 79 HD22 LEU 79 5.907 4.618 -0.334 627 3HD2 LEU 79 HD23 LEU 79 5.128 5.943 0.531 628 H GLY 80 HN GLY 80 8.541 6.074 -4.021 629 1HA GLY 80 HA2 GLY 80 9.953 6.806 -6.065 630 2HA GLY 80 HA1 GLY 80 9.752 8.424 -5.388 631 H SER 81 HN SER 81 10.686 8.869 -3.301 632 HA SER 81 HA SER 81 12.492 6.826 -2.174 633 1HB SER 81 HB2 SER 81 14.430 7.784 -2.874 634 2HB SER 81 HB1 SER 81 13.395 8.363 -4.175 635 HG SER 81 HG SER 81 13.333 10.324 -3.276 636 H PHE 82 HN PHE 82 12.660 7.058 -0.026 637 HA PHE 82 HA PHE 82 12.467 9.674 1.305 638 1HB PHE 82 HB2 PHE 82 10.491 8.793 2.668 639 2HB PHE 82 HB1 PHE 82 10.126 9.179 0.986 640 HD1 PHE 82 HD1 PHE 82 10.200 7.279 -0.737 641 HD2 PHE 82 HD2 PHE 82 10.159 6.611 3.503 642 HE1 PHE 82 HE1 PHE 82 9.459 4.940 -1.110 643 HE2 PHE 82 HE2 PHE 82 9.422 4.283 3.135 644 HZ PHE 82 HZ PHE 82 9.071 3.440 0.827 645 H GLY 83 HN GLY 83 12.246 8.890 3.909 646 1HA GLY 83 HA2 GLY 83 13.627 6.379 4.411 647 2HA GLY 83 HA1 GLY 83 14.684 7.770 4.609 648 H ARG 84 HN ARG 84 14.299 9.199 6.380 649 HA ARG 84 HA ARG 84 12.778 7.957 8.594 650 1HB ARG 84 HB2 ARG 84 14.336 10.532 8.722 651 2HB ARG 84 HB1 ARG 84 14.145 9.296 9.962 652 1HG ARG 84 HG2 ARG 84 15.927 9.272 7.532 653 2HG ARG 84 HG1 ARG 84 16.344 8.938 9.211 654 1HD ARG 84 HD2 ARG 84 14.547 6.944 8.798 655 2HD ARG 84 HD1 ARG 84 15.198 7.117 7.158 656 HE ARG 84 HE ARG 84 17.489 6.899 8.196 657 1HH1 ARG 84 HH21 ARG 84 15.435 4.504 8.602 658 2HH1 ARG 84 HH22 ARG 84 15.941 3.986 10.175 659 1HH2 ARG 84 HH11 ARG 84 17.826 6.828 10.796 660 2HH2 ARG 84 HH12 ARG 84 17.294 5.301 11.417 661 H GLY 85 HN GLY 85 11.131 9.109 9.770 662 1HA GLY 85 HA2 GLY 85 9.443 10.740 10.097 663 2HA GLY 85 HA1 GLY 85 10.193 11.719 8.837 664 H GLN 86 HN GLN 86 10.150 10.229 6.653 665 HA GLN 86 HA GLN 86 7.727 10.444 5.413 666 1HB GLN 86 HB2 GLN 86 8.527 8.370 4.088 667 2HB GLN 86 HB1 GLN 86 9.609 9.753 4.156 668 1HG GLN 86 HG2 GLN 86 10.937 7.798 4.629 669 2HG GLN 86 HG1 GLN 86 10.732 8.648 6.152 670 1HE2 GLN 86 HE21 GLN 86 9.893 7.438 7.862 671 2HE2 GLN 86 HE22 GLN 86 9.103 5.945 7.692 672 H MET 87 HN MET 87 6.227 8.674 4.683 673 HA MET 87 HA MET 87 4.421 7.278 5.344 674 1HB MET 87 HB2 MET 87 7.072 6.002 5.797 675 2HB MET 87 HB1 MET 87 5.651 5.127 6.363 676 1HG MET 87 HG2 MET 87 6.525 4.791 3.890 677 2HG MET 87 HG1 MET 87 4.797 4.842 4.217 678 1HE MET 87 HE1 MET 87 7.549 8.006 2.484 679 2HE MET 87 HE2 MET 87 7.501 6.394 1.774 680 3HE MET 87 HE3 MET 87 7.910 6.588 3.477 681 H GLN 88 HN GLN 88 6.198 5.900 7.988 682 HA GLN 88 HA GLN 88 5.243 7.663 10.080 683 1HB GLN 88 HB2 GLN 88 3.425 5.799 8.866 684 2HB GLN 88 HB1 GLN 88 3.708 5.312 10.538 685 1HG GLN 88 HG2 GLN 88 2.430 7.001 11.291 686 2HG GLN 88 HG1 GLN 88 3.406 8.176 10.408 687 1HE2 GLN 88 HE21 GLN 88 1.425 9.367 9.798 688 2HE2 GLN 88 HE22 GLN 88 0.393 8.763 8.593 689 H LYS 89 HN LYS 89 5.596 4.150 9.552 690 HA LYS 89 HA LYS 89 8.063 3.861 10.945 691 1HB LYS 89 HB2 LYS 89 6.954 4.646 12.900 692 2HB LYS 89 HB1 LYS 89 5.521 3.674 12.573 693 1HG LYS 89 HG2 LYS 89 7.023 1.619 12.819 694 2HG LYS 89 HG1 LYS 89 8.248 2.713 13.461 695 1HD LYS 89 HD2 LYS 89 5.449 2.652 14.587 696 2HD LYS 89 HD1 LYS 89 6.698 1.549 15.165 697 1HE LYS 89 HE2 LYS 89 7.785 4.220 15.038 698 2HE LYS 89 HE1 LYS 89 6.287 4.227 15.990 699 1HZ LYS 89 HZ1 LYS 89 8.522 3.505 17.096 700 2HZ LYS 89 HZ2 LYS 89 8.195 2.020 16.338 701 3HZ LYS 89 HZ3 LYS 89 7.088 2.670 17.451 702 HA PRO 90 HA PRO 90 5.920 -0.439 10.662 703 1HB PRO 90 HB2 PRO 90 3.379 -0.483 9.616 704 2HB PRO 90 HB1 PRO 90 3.714 -0.391 11.358 705 1HG PRO 90 HG2 PRO 90 3.044 1.804 9.445 706 2HG PRO 90 HG1 PRO 90 2.435 1.516 11.085 707 1HD PRO 90 HD2 PRO 90 4.337 3.338 10.609 708 2HD PRO 90 HD1 PRO 90 4.344 2.354 12.089 709 H PHE 91 HN PHE 91 4.695 1.869 8.195 710 HA PHE 91 HA PHE 91 5.037 0.177 5.926 711 1HB PHE 91 HB2 PHE 91 3.821 2.320 5.886 712 2HB PHE 91 HB1 PHE 91 5.314 3.189 6.245 713 HD1 PHE 91 HD1 PHE 91 7.351 2.597 4.567 714 HD2 PHE 91 HD2 PHE 91 3.174 2.172 3.642 715 HE1 PHE 91 HE1 PHE 91 7.891 2.606 2.180 716 HE2 PHE 91 HE2 PHE 91 3.726 2.214 1.220 717 HZ PHE 91 HZ PHE 91 6.082 2.431 0.488 718 H GLU 92 HN GLU 92 7.191 2.755 7.112 719 HA GLU 92 HA GLU 92 9.381 2.455 5.478 720 1HB GLU 92 HB2 GLU 92 8.835 3.857 7.676 721 2HB GLU 92 HB1 GLU 92 9.823 2.612 8.440 722 1HG GLU 92 HG2 GLU 92 11.154 3.404 6.057 723 2HG GLU 92 HG1 GLU 92 10.689 4.875 6.912 724 H GLU 93 HN GLU 93 9.082 0.694 8.584 725 HA GLU 93 HA GLU 93 11.254 -1.056 8.250 726 1HB GLU 93 HB2 GLU 93 10.369 -2.052 10.132 727 2HB GLU 93 HB1 GLU 93 9.355 -0.613 10.124 728 1HG GLU 93 HG2 GLU 93 7.703 -2.212 10.268 729 2HG GLU 93 HG1 GLU 93 7.863 -2.151 8.512 730 H ALA 94 HN ALA 94 8.167 -1.018 6.642 731 HA ALA 94 HA ALA 94 8.164 -3.751 5.675 732 1HB ALA 94 HB1 ALA 94 6.400 -1.673 5.783 733 2HB ALA 94 HB2 ALA 94 6.183 -3.067 4.725 734 3HB ALA 94 HB3 ALA 94 6.895 -1.583 4.092 735 H THR 95 HN THR 95 8.774 -0.670 3.983 736 HA THR 95 HA THR 95 9.932 -1.890 1.649 737 HB THR 95 HB THR 95 10.454 0.894 2.717 738 HG1 THR 95 HG1 THR 95 8.143 -0.064 1.383 739 1HG2 THR 95 HG21 THR 95 10.484 1.504 0.383 740 2HG2 THR 95 HG22 THR 95 9.915 -0.096 -0.093 741 3HG2 THR 95 HG23 THR 95 11.533 0.101 0.581 742 H TYR 96 HN TYR 96 11.182 -0.865 4.756 743 HA TYR 96 HA TYR 96 14.005 -0.967 4.009 744 1HB TYR 96 HB2 TYR 96 12.297 -0.543 6.412 745 2HB TYR 96 HB1 TYR 96 13.936 -1.115 6.716 746 HD1 TYR 96 HD1 TYR 96 11.879 1.708 5.760 747 HD2 TYR 96 HD2 TYR 96 15.893 0.182 5.760 748 HE1 TYR 96 HE1 TYR 96 12.755 4.003 5.399 749 HE2 TYR 96 HE2 TYR 96 16.762 2.477 5.400 750 HH TYR 96 HH TYR 96 14.687 5.281 5.587 751 H ALA 97 HN ALA 97 11.597 -3.195 5.262 752 HA ALA 97 HA ALA 97 13.531 -5.247 6.063 753 1HB ALA 97 HB1 ALA 97 11.370 -4.947 7.186 754 2HB ALA 97 HB2 ALA 97 11.413 -6.536 6.421 755 3HB ALA 97 HB3 ALA 97 10.519 -5.216 5.666 756 H LEU 98 HN LEU 98 11.939 -4.301 3.139 757 HA LEU 98 HA LEU 98 12.149 -6.947 1.857 758 1HB LEU 98 HB2 LEU 98 10.506 -4.809 1.589 759 2HB LEU 98 HB1 LEU 98 11.667 -4.453 0.309 760 HG LEU 98 HG LEU 98 11.286 -7.064 -0.198 761 1HD1 LEU 98 HD11 LEU 98 8.868 -6.104 1.313 762 2HD1 LEU 98 HD12 LEU 98 9.694 -7.659 1.413 763 3HD1 LEU 98 HD13 LEU 98 8.682 -7.287 0.018 764 1HD2 LEU 98 HD21 LEU 98 10.981 -5.409 -1.896 765 2HD2 LEU 98 HD22 LEU 98 9.613 -4.689 -1.047 766 3HD2 LEU 98 HD23 LEU 98 9.447 -6.275 -1.801 767 H LYS 99 HN LYS 99 13.193 -6.709 -0.524 768 HA LYS 99 HA LYS 99 15.604 -5.021 -0.602 769 1HB LYS 99 HB2 LYS 99 17.089 -7.056 -0.701 770 2HB LYS 99 HB1 LYS 99 16.315 -6.827 0.867 771 1HG LYS 99 HG2 LYS 99 14.456 -8.334 -0.532 772 2HG LYS 99 HG1 LYS 99 15.998 -9.010 -1.061 773 1HD LYS 99 HD2 LYS 99 16.116 -8.532 1.768 774 2HD LYS 99 HD1 LYS 99 14.660 -9.460 1.406 775 1HE LYS 99 HE2 LYS 99 16.907 -10.458 -0.145 776 2HE LYS 99 HE1 LYS 99 17.271 -10.484 1.593 777 1HZ LYS 99 HZ1 LYS 99 14.644 -11.361 0.564 778 2HZ LYS 99 HZ2 LYS 99 15.371 -11.717 2.058 779 3HZ LYS 99 HZ3 LYS 99 15.952 -12.438 0.634 780 H VAL 100 HN VAL 100 13.745 -4.765 -2.460 781 HA VAL 100 HA VAL 100 13.191 -5.068 -4.744 782 HB VAL 100 HB VAL 100 16.165 -5.648 -4.589 783 1HG1 VAL 100 HG11 VAL 100 15.684 -6.447 -6.715 784 2HG1 VAL 100 HG12 VAL 100 15.912 -4.733 -7.064 785 3HG1 VAL 100 HG13 VAL 100 14.283 -5.392 -6.908 786 1HG2 VAL 100 HG21 VAL 100 16.390 -3.295 -5.193 787 2HG2 VAL 100 HG22 VAL 100 15.356 -3.422 -3.770 788 3HG2 VAL 100 HG23 VAL 100 14.641 -3.138 -5.357 789 H GLY 101 HN GLY 101 12.137 -7.182 -3.646 790 1HA GLY 101 HA2 GLY 101 11.989 -9.253 -5.424 791 2HA GLY 101 HA1 GLY 101 13.393 -9.699 -4.457 792 H ASP 102 HN ASP 102 10.013 -8.662 -4.073 793 HA ASP 102 HA ASP 102 9.192 -10.819 -2.434 794 1HB ASP 102 HB2 ASP 102 10.865 -8.777 -1.163 795 2HB ASP 102 HB1 ASP 102 9.327 -9.003 -0.329 796 H ILE 103 HN ILE 103 8.918 -7.423 -3.267 797 HA ILE 103 HA ILE 103 7.027 -6.043 -3.540 798 HB ILE 103 HB ILE 103 5.807 -8.820 -3.628 799 1HG1 ILE 103 HG12 ILE 103 6.716 -6.858 -5.757 800 2HG1 ILE 103 HG11 ILE 103 7.471 -8.402 -5.365 801 1HG2 ILE 103 HG21 ILE 103 3.918 -7.507 -3.279 802 2HG2 ILE 103 HG22 ILE 103 4.065 -7.409 -5.033 803 3HG2 ILE 103 HG23 ILE 103 4.644 -6.083 -4.025 804 1HD1 ILE 103 HD11 ILE 103 5.383 -9.573 -6.017 805 2HD1 ILE 103 HD12 ILE 103 6.043 -8.631 -7.355 806 3HD1 ILE 103 HD13 ILE 103 4.661 -8.022 -6.445 807 H SER 104 HN SER 104 7.773 -5.880 -1.022 808 HA SER 104 HA SER 104 7.069 -5.595 1.220 809 1HB SER 104 HB2 SER 104 5.417 -4.065 1.026 810 2HB SER 104 HB1 SER 104 5.269 -4.528 -0.666 811 HG SER 104 HG SER 104 3.841 -6.221 0.091 812 H ASP 105 HN ASP 105 4.723 -6.256 2.530 813 HA ASP 105 HA ASP 105 3.976 -9.046 1.960 814 1HB ASP 105 HB2 ASP 105 5.880 -8.189 4.135 815 2HB ASP 105 HB1 ASP 105 4.885 -9.632 4.339 816 H ILE 106 HN ILE 106 1.868 -7.885 1.981 817 HA ILE 106 HA ILE 106 -0.134 -7.227 3.047 818 HB ILE 106 HB ILE 106 1.124 -8.543 5.465 819 1HG1 ILE 106 HG12 ILE 106 0.014 -9.756 2.925 820 2HG1 ILE 106 HG11 ILE 106 1.560 -10.090 3.703 821 1HG2 ILE 106 HG21 ILE 106 -1.229 -9.256 5.848 822 2HG2 ILE 106 HG22 ILE 106 -1.717 -8.361 4.408 823 3HG2 ILE 106 HG23 ILE 106 -1.072 -7.499 5.806 824 1HD1 ILE 106 HD11 ILE 106 -1.052 -11.286 4.203 825 2HD1 ILE 106 HD12 ILE 106 -0.327 -10.653 5.681 826 3HD1 ILE 106 HD13 ILE 106 0.546 -11.838 4.709 827 H VAL 107 HN VAL 107 0.601 -4.941 2.945 828 HA VAL 107 HA VAL 107 1.839 -3.817 5.387 829 HB VAL 107 HB VAL 107 0.831 -2.429 2.891 830 1HG1 VAL 107 HG11 VAL 107 2.924 -1.766 4.978 831 2HG1 VAL 107 HG12 VAL 107 1.405 -0.915 4.693 832 3HG1 VAL 107 HG13 VAL 107 2.691 -0.853 3.488 833 1HG2 VAL 107 HG21 VAL 107 2.482 -3.394 1.699 834 2HG2 VAL 107 HG22 VAL 107 2.832 -4.436 3.079 835 3HG2 VAL 107 HG23 VAL 107 3.672 -2.896 2.902 836 H ASP 108 HN ASP 108 0.593 -3.041 7.030 837 HA ASP 108 HA ASP 108 -2.195 -2.113 6.414 838 1HB ASP 108 HB2 ASP 108 -2.602 -3.048 8.812 839 2HB ASP 108 HB1 ASP 108 -2.462 -4.199 7.483 840 H THR 109 HN THR 109 -1.957 0.123 6.643 841 HA THR 109 HA THR 109 -0.975 1.102 9.285 842 HB THR 109 HB THR 109 0.537 2.665 8.172 843 HG1 THR 109 HG1 THR 109 0.704 2.071 5.755 844 1HG2 THR 109 HG21 THR 109 2.197 1.139 7.520 845 2HG2 THR 109 HG22 THR 109 1.029 0.038 6.790 846 3HG2 THR 109 HG23 THR 109 1.145 0.162 8.545 847 H ASP 110 HN ASP 110 -1.007 3.864 8.375 848 HA ASP 110 HA ASP 110 -3.587 4.729 8.893 849 1HB ASP 110 HB2 ASP 110 -1.209 5.850 8.167 850 2HB ASP 110 HB1 ASP 110 -2.162 6.157 6.716 851 H SER 111 HN SER 111 -5.319 5.492 7.387 852 HA SER 111 HA SER 111 -6.726 5.239 5.495 853 1HB SER 111 HB2 SER 111 -4.427 3.864 4.124 854 2HB SER 111 HB1 SER 111 -5.640 4.933 3.430 855 HG SER 111 HG SER 111 -4.546 6.438 5.146 856 H GLY 112 HN GLY 112 -4.537 2.409 5.634 857 1HA GLY 112 HA2 GLY 112 -6.234 0.526 6.739 858 2HA GLY 112 HA1 GLY 112 -6.708 0.566 5.039 859 H VAL 113 HN VAL 113 -5.811 -1.257 4.153 860 HA VAL 113 HA VAL 113 -2.978 -1.902 4.839 861 HB VAL 113 HB VAL 113 -3.651 -4.123 3.798 862 1HG1 VAL 113 HG11 VAL 113 -4.639 -2.903 6.288 863 2HG1 VAL 113 HG12 VAL 113 -3.844 -4.457 6.038 864 3HG1 VAL 113 HG13 VAL 113 -5.578 -4.300 5.761 865 1HG2 VAL 113 HG21 VAL 113 -6.483 -3.215 4.103 866 2HG2 VAL 113 HG22 VAL 113 -5.819 -4.487 3.076 867 3HG2 VAL 113 HG23 VAL 113 -5.623 -2.794 2.621 868 H HIS 114 HN HIS 114 -1.415 -1.719 3.280 869 HA HIS 114 HA HIS 114 -2.318 -1.151 0.472 870 1HB HIS 114 HB2 HIS 114 0.121 -0.059 1.888 871 2HB HIS 114 HB1 HIS 114 -0.593 0.526 0.390 872 HD1 HIS 114 HD1 HIS 114 -1.816 2.651 0.783 873 HD2 HIS 114 HD2 HIS 114 -2.097 0.106 4.075 874 HE1 HIS 114 HE1 HIS 114 -3.198 3.873 2.517 875 H ILE 115 HN ILE 115 -0.087 -1.245 -0.913 876 HA ILE 115 HA ILE 115 1.520 -3.642 -0.165 877 HB ILE 115 HB ILE 115 0.983 -4.738 -2.231 878 1HG1 ILE 115 HG12 ILE 115 -0.392 -2.142 -2.997 879 2HG1 ILE 115 HG11 ILE 115 1.083 -2.795 -3.711 880 1HG2 ILE 115 HG21 ILE 115 -1.723 -3.619 -1.688 881 2HG2 ILE 115 HG22 ILE 115 -0.883 -4.369 -0.331 882 3HG2 ILE 115 HG23 ILE 115 -1.201 -5.300 -1.794 883 1HD1 ILE 115 HD11 ILE 115 -0.453 -3.574 -5.248 884 2HD1 ILE 115 HD12 ILE 115 -1.745 -3.692 -4.054 885 3HD1 ILE 115 HD13 ILE 115 -0.478 -4.918 -4.106 886 H ILE 116 HN ILE 116 3.656 -3.068 -0.498 887 HA ILE 116 HA ILE 116 4.198 -0.776 -2.339 888 HB ILE 116 HB ILE 116 5.641 -1.971 0.039 889 1HG1 ILE 116 HG12 ILE 116 4.959 0.862 0.073 890 2HG1 ILE 116 HG11 ILE 116 3.532 -0.147 -0.159 891 1HG2 ILE 116 HG21 ILE 116 7.484 -1.168 -1.067 892 2HG2 ILE 116 HG22 ILE 116 6.918 0.367 -0.408 893 3HG2 ILE 116 HG23 ILE 116 6.534 -0.073 -2.071 894 1HD1 ILE 116 HD11 ILE 116 3.730 -0.050 2.181 895 2HD1 ILE 116 HD12 ILE 116 5.489 -0.154 2.131 896 3HD1 ILE 116 HD13 ILE 116 4.512 -1.580 1.781 897 H LYS 117 HN LYS 117 6.091 -0.863 -3.690 898 HA LYS 117 HA LYS 117 7.289 -3.560 -4.149 899 1HB LYS 117 HB2 LYS 117 5.322 -2.221 -5.750 900 2HB LYS 117 HB1 LYS 117 6.836 -2.261 -6.654 901 1HG LYS 117 HG2 LYS 117 7.007 -4.672 -6.353 902 2HG LYS 117 HG1 LYS 117 5.572 -4.675 -5.326 903 1HD LYS 117 HD2 LYS 117 5.156 -5.354 -7.735 904 2HD LYS 117 HD1 LYS 117 4.160 -4.016 -7.159 905 1HE LYS 117 HE2 LYS 117 5.557 -2.391 -8.276 906 2HE LYS 117 HE1 LYS 117 6.762 -3.631 -8.678 907 1HZ LYS 117 HZ1 LYS 117 5.435 -3.483 -10.582 908 2HZ LYS 117 HZ2 LYS 117 3.993 -3.364 -9.691 909 3HZ LYS 117 HZ3 LYS 117 4.828 -4.842 -9.770 910 H ARG 118 HN ARG 118 9.485 -3.250 -4.078 911 HA ARG 118 HA ARG 118 10.605 -0.546 -4.445 912 1HB ARG 118 HB2 ARG 118 11.133 -2.668 -2.811 913 2HB ARG 118 HB1 ARG 118 12.365 -2.891 -4.054 914 1HG ARG 118 HG2 ARG 118 12.365 -0.136 -3.526 915 2HG ARG 118 HG1 ARG 118 12.238 -0.902 -1.942 916 1HD ARG 118 HD2 ARG 118 14.180 -2.388 -2.586 917 2HD ARG 118 HD1 ARG 118 14.370 -1.395 -4.045 918 HE ARG 118 HE ARG 118 14.751 0.559 -2.573 919 1HH1 ARG 118 HH21 ARG 118 13.508 -0.558 -0.076 920 2HH1 ARG 118 HH22 ARG 118 14.904 -0.952 0.870 921 1HH2 ARG 118 HH11 ARG 118 17.092 -0.818 -1.815 922 2HH2 ARG 118 HH12 ARG 118 16.932 -1.100 -0.113 923 H THR 119 HN THR 119 13.109 -1.166 -5.497 924 HA THR 119 HA THR 119 12.891 -0.885 -8.239 925 HB THR 119 HB THR 119 15.049 -2.641 -7.117 926 HG1 THR 119 HG1 THR 119 15.906 -0.832 -6.057 927 1HG2 THR 119 HG21 THR 119 14.742 -0.451 -9.122 928 2HG2 THR 119 HG22 THR 119 15.660 -1.953 -9.230 929 3HG2 THR 119 HG23 THR 119 16.296 -0.596 -8.300 930 H ALA 120 HN ALA 120 12.442 -3.831 -6.391 931 HA ALA 120 HA ALA 120 12.882 -5.906 -8.159 932 1HB ALA 120 HB1 ALA 120 11.984 -6.388 -6.024 933 2HB ALA 120 HB2 ALA 120 10.668 -6.807 -7.121 934 3HB ALA 120 HB3 ALA 120 10.634 -5.275 -6.247 Start of MODEL 20 1 1H HIS 1 HT1 HIS 1 28.395 13.621 4.507 2 2H HIS 1 HT2 HIS 1 28.524 12.182 5.400 3 3H HIS 1 HT3 HIS 1 27.068 13.059 5.400 4 HA HIS 1 HA HIS 1 27.969 12.287 2.760 5 1HB HIS 1 HB2 HIS 1 27.364 10.320 4.981 6 2HB HIS 1 HB1 HIS 1 27.191 9.893 3.278 7 HD1 HIS 1 HD1 HIS 1 29.388 9.917 1.815 8 HD2 HIS 1 HD2 HIS 1 30.025 10.463 5.898 9 HE1 HIS 1 HE1 HIS 1 31.868 9.585 2.203 10 H MET 2 HN MET 2 26.208 12.935 1.600 11 HA MET 2 HA MET 2 23.480 12.293 2.601 12 1HB MET 2 HB2 MET 2 24.641 14.734 3.076 13 2HB MET 2 HB1 MET 2 23.825 15.033 1.541 14 1HG MET 2 HG2 MET 2 21.763 13.934 2.624 15 2HG MET 2 HG1 MET 2 22.613 14.134 4.156 16 1HE MET 2 HE1 MET 2 19.929 16.780 4.315 17 2HE MET 2 HE2 MET 2 20.208 15.042 4.273 18 3HE MET 2 HE3 MET 2 19.653 15.872 2.821 19 H ALA 3 HN ALA 3 24.699 10.996 0.483 20 HA ALA 3 HA ALA 3 22.952 11.703 -1.750 21 1HB ALA 3 HB1 ALA 3 25.368 11.845 -3.067 22 2HB ALA 3 HB2 ALA 3 25.739 12.640 -1.536 23 3HB ALA 3 HB3 ALA 3 24.428 13.245 -2.549 24 H SER 4 HN SER 4 26.056 10.034 -1.063 25 HA SER 4 HA SER 4 25.431 7.830 -2.871 26 1HB SER 4 HB2 SER 4 27.704 8.150 -2.694 27 2HB SER 4 HB1 SER 4 27.594 8.721 -1.032 28 HG SER 4 HG SER 4 28.519 6.510 -1.551 29 H ARG 5 HN ARG 5 24.156 8.592 0.089 30 HA ARG 5 HA ARG 5 24.332 6.210 1.631 31 1HB ARG 5 HB2 ARG 5 22.296 7.103 2.694 32 2HB ARG 5 HB1 ARG 5 23.438 8.406 2.367 33 1HG ARG 5 HG2 ARG 5 22.195 9.201 0.529 34 2HG ARG 5 HG1 ARG 5 21.292 7.693 0.374 35 1HD ARG 5 HD2 ARG 5 19.686 8.489 1.758 36 2HD ARG 5 HD1 ARG 5 20.895 8.785 3.022 37 HE ARG 5 HE ARG 5 21.415 10.943 1.756 38 1HH1 ARG 5 HH21 ARG 5 18.965 9.549 0.050 39 2HH1 ARG 5 HH22 ARG 5 17.831 10.847 0.219 40 1HH2 ARG 5 HH11 ARG 5 19.709 12.530 2.599 41 2HH2 ARG 5 HH12 ARG 5 18.251 12.533 1.664 42 H ASP 6 HN ASP 6 21.384 5.710 1.806 43 HA ASP 6 HA ASP 6 20.859 4.363 -0.804 44 1HB ASP 6 HB2 ASP 6 21.765 3.172 1.658 45 2HB ASP 6 HB1 ASP 6 20.151 2.573 1.275 46 H GLN 7 HN GLN 7 19.564 4.885 2.490 47 HA GLN 7 HA GLN 7 17.365 5.420 3.194 48 1HB GLN 7 HB2 GLN 7 18.083 6.956 0.942 49 2HB GLN 7 HB1 GLN 7 16.443 6.395 0.617 50 1HG GLN 7 HG2 GLN 7 16.109 8.389 1.834 51 2HG GLN 7 HG1 GLN 7 15.935 7.127 3.046 52 1HE2 GLN 7 HE21 GLN 7 17.294 10.087 2.725 53 2HE2 GLN 7 HE22 GLN 7 18.654 9.909 3.725 54 H VAL 8 HN VAL 8 14.929 5.025 2.404 55 HA VAL 8 HA VAL 8 14.908 2.361 1.022 56 HB VAL 8 HB VAL 8 14.308 2.077 3.299 57 1HG1 VAL 8 HG11 VAL 8 12.755 4.637 2.914 58 2HG1 VAL 8 HG12 VAL 8 14.063 4.317 4.054 59 3HG1 VAL 8 HG13 VAL 8 12.480 3.576 4.295 60 1HG2 VAL 8 HG21 VAL 8 11.782 2.454 1.662 61 2HG2 VAL 8 HG22 VAL 8 11.831 1.648 3.229 62 3HG2 VAL 8 HG23 VAL 8 12.702 0.963 1.858 63 H LYS 9 HN LYS 9 14.391 3.036 -1.100 64 HA LYS 9 HA LYS 9 12.246 4.967 -1.619 65 1HB LYS 9 HB2 LYS 9 13.865 3.041 -3.314 66 2HB LYS 9 HB1 LYS 9 12.670 4.156 -3.974 67 1HG LYS 9 HG2 LYS 9 14.110 5.857 -2.444 68 2HG LYS 9 HG1 LYS 9 15.368 4.719 -2.920 69 1HD LYS 9 HD2 LYS 9 14.839 5.038 -5.272 70 2HD LYS 9 HD1 LYS 9 13.452 6.046 -4.859 71 1HE LYS 9 HE2 LYS 9 14.811 7.853 -4.897 72 2HE LYS 9 HE1 LYS 9 15.708 7.166 -3.528 73 1HZ LYS 9 HZ1 LYS 9 16.905 7.545 -5.797 74 2HZ LYS 9 HZ2 LYS 9 16.151 6.085 -6.226 75 3HZ LYS 9 HZ3 LYS 9 17.214 6.138 -4.901 76 H ALA 10 HN ALA 10 10.228 4.230 -2.867 77 HA ALA 10 HA ALA 10 9.541 1.452 -3.059 78 1HB ALA 10 HB1 ALA 10 9.063 2.854 -0.446 79 2HB ALA 10 HB2 ALA 10 9.699 1.235 -0.737 80 3HB ALA 10 HB3 ALA 10 7.979 1.560 -0.954 81 H SER 11 HN SER 11 7.171 1.068 -3.178 82 HA SER 11 HA SER 11 5.569 3.480 -3.896 83 1HB SER 11 HB2 SER 11 5.121 2.598 -6.014 84 2HB SER 11 HB1 SER 11 6.728 1.923 -5.765 85 HG SER 11 HG SER 11 4.228 0.707 -5.703 86 H HIS 12 HN HIS 12 3.076 2.489 -4.183 87 HA HIS 12 HA HIS 12 2.576 0.108 -2.604 88 1HB HIS 12 HB2 HIS 12 2.020 1.070 -0.500 89 2HB HIS 12 HB1 HIS 12 3.548 1.809 -0.973 90 HD1 HIS 12 HD1 HIS 12 1.604 3.275 0.952 91 HD2 HIS 12 HD2 HIS 12 1.677 3.853 -3.176 92 HE1 HIS 12 HE1 HIS 12 0.588 5.556 0.530 93 H ILE 13 HN ILE 13 0.297 -0.105 -1.885 94 HA ILE 13 HA ILE 13 -1.656 1.573 -3.409 95 HB ILE 13 HB ILE 13 -1.257 -1.429 -3.393 96 1HG1 ILE 13 HG12 ILE 13 -1.335 0.766 -5.456 97 2HG1 ILE 13 HG11 ILE 13 -0.088 -0.451 -5.191 98 1HG2 ILE 13 HG21 ILE 13 -3.698 0.085 -4.349 99 2HG2 ILE 13 HG22 ILE 13 -3.645 -0.955 -2.925 100 3HG2 ILE 13 HG23 ILE 13 -3.423 -1.644 -4.531 101 1HD1 ILE 13 HD11 ILE 13 -1.334 -1.050 -7.192 102 2HD1 ILE 13 HD12 ILE 13 -2.863 -0.921 -6.322 103 3HD1 ILE 13 HD13 ILE 13 -1.726 -2.208 -5.921 104 H LEU 14 HN LEU 14 -3.982 0.988 -2.501 105 HA LEU 14 HA LEU 14 -3.825 0.191 0.382 106 1HB LEU 14 HB2 LEU 14 -3.676 2.603 0.334 107 2HB LEU 14 HB1 LEU 14 -5.010 2.712 -0.814 108 HG LEU 14 HG LEU 14 -6.342 1.417 1.054 109 1HD1 LEU 14 HD11 LEU 14 -4.634 2.936 2.944 110 2HD1 LEU 14 HD12 LEU 14 -3.952 1.439 2.309 111 3HD1 LEU 14 HD13 LEU 14 -5.488 1.410 3.175 112 1HD2 LEU 14 HD21 LEU 14 -5.656 4.312 1.594 113 2HD2 LEU 14 HD22 LEU 14 -7.199 3.494 1.838 114 3HD2 LEU 14 HD23 LEU 14 -6.625 3.825 0.204 115 H ILE 15 HN ILE 15 -5.492 -1.156 0.946 116 HA ILE 15 HA ILE 15 -7.831 -1.346 -0.926 117 HB ILE 15 HB ILE 15 -6.413 -3.339 0.864 118 1HG1 ILE 15 HG12 ILE 15 -6.789 -2.980 -2.115 119 2HG1 ILE 15 HG11 ILE 15 -5.278 -3.100 -1.214 120 1HG2 ILE 15 HG21 ILE 15 -8.760 -4.036 -0.887 121 2HG2 ILE 15 HG22 ILE 15 -9.036 -3.440 0.749 122 3HG2 ILE 15 HG23 ILE 15 -8.107 -4.916 0.494 123 1HD1 ILE 15 HD11 ILE 15 -6.341 -5.469 -0.531 124 2HD1 ILE 15 HD12 ILE 15 -5.380 -5.263 -1.996 125 3HD1 ILE 15 HD13 ILE 15 -7.142 -5.257 -2.088 126 H LYS 16 HN LYS 16 -9.931 -1.551 0.055 127 HA LYS 16 HA LYS 16 -10.289 -0.091 2.540 128 1HB LYS 16 HB2 LYS 16 -12.673 -0.602 2.080 129 2HB LYS 16 HB1 LYS 16 -11.853 -0.033 0.626 130 1HG LYS 16 HG2 LYS 16 -11.562 -2.897 0.854 131 2HG LYS 16 HG1 LYS 16 -13.268 -2.458 0.947 132 1HD LYS 16 HD2 LYS 16 -12.710 -0.903 -1.085 133 2HD LYS 16 HD1 LYS 16 -11.312 -1.959 -1.280 134 1HE LYS 16 HE2 LYS 16 -13.326 -3.795 -0.918 135 2HE LYS 16 HE1 LYS 16 -14.157 -2.515 -1.822 136 1HZ LYS 16 HZ1 LYS 16 -11.660 -3.934 -2.554 137 2HZ LYS 16 HZ2 LYS 16 -12.112 -2.465 -3.278 138 3HZ LYS 16 HZ3 LYS 16 -13.102 -3.836 -3.441 139 H HIS 17 HN HIS 17 -11.538 -1.063 4.409 140 HA HIS 17 HA HIS 17 -11.745 -3.904 4.796 141 1HB HIS 17 HB2 HIS 17 -9.759 -4.321 6.089 142 2HB HIS 17 HB1 HIS 17 -9.233 -3.510 4.617 143 HD1 HIS 17 HD1 HIS 17 -10.284 -0.624 5.695 144 HD2 HIS 17 HD2 HIS 17 -7.616 -3.199 7.598 145 HE1 HIS 17 HE1 HIS 17 -8.928 0.801 7.286 146 H GLN 18 HN GLN 18 -11.249 -4.081 7.542 147 HA GLN 18 HA GLN 18 -13.524 -2.655 8.653 148 1HB GLN 18 HB2 GLN 18 -11.494 -4.670 9.456 149 2HB GLN 18 HB1 GLN 18 -12.210 -3.740 10.772 150 1HG GLN 18 HG2 GLN 18 -13.960 -4.972 8.654 151 2HG GLN 18 HG1 GLN 18 -13.396 -5.935 10.020 152 1HE2 GLN 18 HE21 GLN 18 -13.883 -4.951 12.257 153 2HE2 GLN 18 HE22 GLN 18 -15.323 -4.069 12.432 154 H GLY 19 HN GLY 19 -12.168 -0.544 7.836 155 1HA GLY 19 HA2 GLY 19 -10.746 0.468 10.266 156 2HA GLY 19 HA1 GLY 19 -10.227 0.897 8.635 157 H SER 20 HN SER 20 -10.917 2.863 8.004 158 HA SER 20 HA SER 20 -13.667 3.747 8.764 159 1HB SER 20 HB2 SER 20 -12.375 6.045 9.104 160 2HB SER 20 HB1 SER 20 -12.445 4.863 10.409 161 HG SER 20 HG SER 20 -10.316 5.459 10.119 162 H ARG 21 HN ARG 21 -14.042 3.226 6.448 163 HA ARG 21 HA ARG 21 -13.241 5.495 4.692 164 1HB ARG 21 HB2 ARG 21 -11.790 3.249 4.673 165 2HB ARG 21 HB1 ARG 21 -13.093 2.709 3.616 166 1HG ARG 21 HG2 ARG 21 -12.623 5.148 2.545 167 2HG ARG 21 HG1 ARG 21 -11.009 4.768 3.148 168 1HD ARG 21 HD2 ARG 21 -11.143 2.552 1.968 169 2HD ARG 21 HD1 ARG 21 -12.679 3.082 1.252 170 HE ARG 21 HE ARG 21 -10.032 4.369 0.759 171 1HH1 ARG 21 HH21 ARG 21 -12.661 6.035 0.730 172 2HH1 ARG 21 HH22 ARG 21 -12.976 6.069 -0.972 173 1HH2 ARG 21 HH11 ARG 21 -10.750 3.515 -1.706 174 2HH2 ARG 21 HH12 ARG 21 -11.895 4.644 -2.350 175 H ARG 22 HN ARG 22 -14.306 4.373 2.326 176 HA ARG 22 HA ARG 22 -17.023 3.393 2.820 177 1HB ARG 22 HB2 ARG 22 -17.945 5.545 1.704 178 2HB ARG 22 HB1 ARG 22 -17.449 5.654 3.391 179 1HG ARG 22 HG2 ARG 22 -15.147 6.142 1.761 180 2HG ARG 22 HG1 ARG 22 -16.463 7.157 1.172 181 1HD ARG 22 HD2 ARG 22 -16.307 8.513 2.981 182 2HD ARG 22 HD1 ARG 22 -16.394 7.126 4.085 183 HE ARG 22 HE ARG 22 -13.908 6.777 3.429 184 1HH1 ARG 22 HH11 ARG 22 -14.904 9.193 5.252 185 2HH1 ARG 22 HH12 ARG 22 -13.757 10.390 4.750 186 1HH2 ARG 22 HH21 ARG 22 -12.681 8.581 1.992 187 2HH2 ARG 22 HH22 ARG 22 -12.498 10.043 2.903 188 H LYS 23 HN LYS 23 -17.013 1.886 1.193 189 HA LYS 23 HA LYS 23 -15.499 1.973 -1.204 190 1HB LYS 23 HB2 LYS 23 -16.357 -0.096 -0.444 191 2HB LYS 23 HB1 LYS 23 -17.989 0.547 -0.270 192 1HG LYS 23 HG2 LYS 23 -18.104 0.815 -2.752 193 2HG LYS 23 HG1 LYS 23 -16.522 0.046 -2.876 194 1HD LYS 23 HD2 LYS 23 -18.495 -1.514 -3.211 195 2HD LYS 23 HD1 LYS 23 -17.358 -2.012 -1.957 196 1HE LYS 23 HE2 LYS 23 -19.529 -0.240 -1.003 197 2HE LYS 23 HE1 LYS 23 -20.056 -1.844 -1.553 198 1HZ LYS 23 HZ1 LYS 23 -18.139 -2.754 -0.243 199 2HZ LYS 23 HZ2 LYS 23 -19.393 -2.093 0.694 200 3HZ LYS 23 HZ3 LYS 23 -17.958 -1.217 0.451 201 H ALA 24 HN ALA 24 -16.030 2.617 -3.324 202 HA ALA 24 HA ALA 24 -17.013 4.044 -4.934 203 1HB ALA 24 HB1 ALA 24 -18.566 2.012 -4.525 204 2HB ALA 24 HB2 ALA 24 -19.257 3.406 -5.355 205 3HB ALA 24 HB3 ALA 24 -19.590 3.145 -3.643 206 H SER 25 HN SER 25 -16.404 5.278 -2.297 207 HA SER 25 HA SER 25 -18.311 7.564 -2.502 208 1HB SER 25 HB2 SER 25 -19.214 6.289 -0.713 209 2HB SER 25 HB1 SER 25 -17.617 5.876 -0.096 210 HG SER 25 HG SER 25 -18.219 8.580 -0.273 211 H TRP 26 HN TRP 26 -16.945 9.241 -3.008 212 HA TRP 26 HA TRP 26 -14.193 9.273 -1.881 213 1HB TRP 26 HB2 TRP 26 -15.346 9.856 -4.356 214 2HB TRP 26 HB1 TRP 26 -14.991 11.443 -3.675 215 HD1 TRP 26 HD1 TRP 26 -12.792 8.481 -2.758 216 HE1 TRP 26 HE1 TRP 26 -10.458 8.813 -3.790 217 HE3 TRP 26 HE3 TRP 26 -13.702 12.546 -5.715 218 HZ2 TRP 26 HZ2 TRP 26 -9.144 10.566 -5.629 219 HZ3 TRP 26 HZ3 TRP 26 -11.891 13.523 -7.097 220 HH2 TRP 26 HH2 TRP 26 -9.615 12.539 -7.058 221 H LYS 27 HN LYS 27 -13.930 12.149 -2.076 222 HA LYS 27 HA LYS 27 -15.097 12.877 0.530 223 1HB LYS 27 HB2 LYS 27 -13.577 14.775 0.315 224 2HB LYS 27 HB1 LYS 27 -12.728 13.304 -0.160 225 1HG LYS 27 HG2 LYS 27 -12.242 14.319 -2.114 226 2HG LYS 27 HG1 LYS 27 -13.957 14.217 -2.513 227 1HD LYS 27 HD2 LYS 27 -14.330 16.424 -2.056 228 2HD LYS 27 HD1 LYS 27 -13.200 16.437 -0.701 229 1HE LYS 27 HE2 LYS 27 -12.330 16.334 -3.611 230 2HE LYS 27 HE1 LYS 27 -12.409 17.823 -2.650 231 1HZ LYS 27 HZ1 LYS 27 -10.456 15.747 -2.574 232 2HZ LYS 27 HZ2 LYS 27 -11.147 15.982 -1.039 233 3HZ LYS 27 HZ3 LYS 27 -10.415 17.281 -1.853 234 H ASP 28 HN ASP 28 -16.384 12.889 -2.473 235 HA ASP 28 HA ASP 28 -17.628 15.592 -2.216 236 1HB ASP 28 HB2 ASP 28 -16.937 13.715 -4.418 237 2HB ASP 28 HB1 ASP 28 -18.388 14.693 -4.645 238 HA PRO 29 HA PRO 29 -21.495 12.915 -2.729 239 1HB PRO 29 HB2 PRO 29 -21.261 10.245 -3.259 240 2HB PRO 29 HB1 PRO 29 -21.289 11.481 -4.532 241 1HG PRO 29 HG2 PRO 29 -18.979 10.014 -3.370 242 2HG PRO 29 HG1 PRO 29 -19.273 10.519 -5.040 243 1HD PRO 29 HD2 PRO 29 -17.596 11.826 -3.319 244 2HD PRO 29 HD1 PRO 29 -18.404 12.596 -4.701 245 H GLU 30 HN GLU 30 -22.547 10.880 -1.459 246 HA GLU 30 HA GLU 30 -21.102 10.733 1.157 247 1HB GLU 30 HB2 GLU 30 -23.374 10.394 2.058 248 2HB GLU 30 HB1 GLU 30 -23.321 11.844 1.055 249 1HG GLU 30 HG2 GLU 30 -23.895 9.556 -0.599 250 2HG GLU 30 HG1 GLU 30 -25.033 9.610 0.748 251 H GLY 31 HN GLY 31 -22.119 8.589 2.358 252 1HA GLY 31 HA2 GLY 31 -21.617 6.321 0.468 253 2HA GLY 31 HA1 GLY 31 -21.100 6.306 2.156 254 H LYS 32 HN LYS 32 -22.385 4.304 2.352 255 HA LYS 32 HA LYS 32 -24.973 4.761 3.506 256 1HB LYS 32 HB2 LYS 32 -25.579 5.204 1.178 257 2HB LYS 32 HB1 LYS 32 -24.861 3.673 0.674 258 1HG LYS 32 HG2 LYS 32 -26.575 2.406 1.590 259 2HG LYS 32 HG1 LYS 32 -26.976 3.630 2.796 260 1HD LYS 32 HD2 LYS 32 -27.472 4.952 0.425 261 2HD LYS 32 HD1 LYS 32 -27.983 3.306 0.054 262 1HE LYS 32 HE2 LYS 32 -29.861 3.576 1.290 263 2HE LYS 32 HE1 LYS 32 -28.897 4.048 2.703 264 1HZ LYS 32 HZ1 LYS 32 -29.498 5.845 0.414 265 2HZ LYS 32 HZ2 LYS 32 -28.714 6.265 1.861 266 3HZ LYS 32 HZ3 LYS 32 -30.361 5.850 1.875 267 H ILE 33 HN ILE 33 -24.777 3.202 5.067 268 HA ILE 33 HA ILE 33 -24.055 1.168 6.087 269 HB ILE 33 HB ILE 33 -25.366 -0.715 4.883 270 1HG1 ILE 33 HG12 ILE 33 -26.324 1.683 3.287 271 2HG1 ILE 33 HG11 ILE 33 -25.309 0.390 2.642 272 1HG2 ILE 33 HG21 ILE 33 -26.413 0.287 6.741 273 2HG2 ILE 33 HG22 ILE 33 -27.583 0.515 5.440 274 3HG2 ILE 33 HG23 ILE 33 -26.544 1.851 5.938 275 1HD1 ILE 33 HD11 ILE 33 -27.023 -1.163 2.687 276 2HD1 ILE 33 HD12 ILE 33 -27.960 0.304 2.405 277 3HD1 ILE 33 HD13 ILE 33 -27.846 -0.371 4.030 278 H ILE 34 HN ILE 34 -21.796 0.999 5.737 279 HA ILE 34 HA ILE 34 -21.020 -0.908 3.576 280 HB ILE 34 HB ILE 34 -19.029 0.650 3.165 281 1HG1 ILE 34 HG12 ILE 34 -20.271 3.085 3.870 282 2HG1 ILE 34 HG11 ILE 34 -20.378 2.061 5.301 283 1HG2 ILE 34 HG21 ILE 34 -20.640 2.383 1.972 284 2HG2 ILE 34 HG22 ILE 34 -21.881 1.231 2.460 285 3HG2 ILE 34 HG23 ILE 34 -20.556 0.710 1.420 286 1HD1 ILE 34 HD11 ILE 34 -18.124 2.054 5.629 287 2HD1 ILE 34 HD12 ILE 34 -18.177 3.529 4.665 288 3HD1 ILE 34 HD13 ILE 34 -17.773 1.991 3.902 289 H LEU 35 HN LEU 35 -19.741 -2.480 4.452 290 HA LEU 35 HA LEU 35 -18.367 -1.907 7.054 291 1HB LEU 35 HB2 LEU 35 -19.217 -4.523 5.763 292 2HB LEU 35 HB1 LEU 35 -18.558 -4.338 7.389 293 HG LEU 35 HG LEU 35 -20.617 -2.547 7.460 294 1HD1 LEU 35 HD11 LEU 35 -21.648 -3.008 5.405 295 2HD1 LEU 35 HD12 LEU 35 -22.546 -4.041 6.517 296 3HD1 LEU 35 HD13 LEU 35 -21.282 -4.731 5.499 297 1HD2 LEU 35 HD21 LEU 35 -20.407 -5.466 8.174 298 2HD2 LEU 35 HD22 LEU 35 -21.890 -4.572 8.511 299 3HD2 LEU 35 HD23 LEU 35 -20.367 -4.063 9.241 300 H THR 36 HN THR 36 -17.883 -2.518 3.732 301 HA THR 36 HA THR 36 -15.981 -3.071 2.448 302 HB THR 36 HB THR 36 -13.871 -2.059 3.657 303 HG1 THR 36 HG1 THR 36 -15.758 -0.642 5.118 304 1HG2 THR 36 HG21 THR 36 -14.616 0.194 3.018 305 2HG2 THR 36 HG22 THR 36 -16.287 -0.366 2.971 306 3HG2 THR 36 HG23 THR 36 -15.115 -0.992 1.811 307 H THR 37 HN THR 37 -13.653 -4.101 2.701 308 HA THR 37 HA THR 37 -13.915 -6.748 3.663 309 HB THR 37 HB THR 37 -11.924 -4.954 2.509 310 HG1 THR 37 HG1 THR 37 -11.625 -6.682 1.277 311 1HG2 THR 37 HG21 THR 37 -10.783 -7.195 4.189 312 2HG2 THR 37 HG22 THR 37 -10.801 -5.516 4.730 313 3HG2 THR 37 HG23 THR 37 -9.906 -5.964 3.282 314 H THR 38 HN THR 38 -12.185 -7.588 5.422 315 HA THR 38 HA THR 38 -12.379 -5.772 7.805 316 HB THR 38 HB THR 38 -12.955 -7.719 9.120 317 HG1 THR 38 HG1 THR 38 -13.150 -9.755 7.923 318 1HG2 THR 38 HG21 THR 38 -15.032 -7.252 8.362 319 2HG2 THR 38 HG22 THR 38 -14.825 -8.647 7.303 320 3HG2 THR 38 HG23 THR 38 -14.468 -7.027 6.707 321 H ARG 39 HN ARG 39 -10.829 -6.755 9.612 322 HA ARG 39 HA ARG 39 -8.162 -6.422 8.894 323 1HB ARG 39 HB2 ARG 39 -7.806 -7.953 10.989 324 2HB ARG 39 HB1 ARG 39 -8.671 -6.432 11.185 325 1HG ARG 39 HG2 ARG 39 -10.452 -7.556 11.966 326 2HG ARG 39 HG1 ARG 39 -10.587 -8.415 10.434 327 1HD ARG 39 HD2 ARG 39 -10.325 -10.057 12.222 328 2HD ARG 39 HD1 ARG 39 -8.823 -10.027 11.277 329 HE ARG 39 HE ARG 39 -7.918 -8.454 13.031 330 1HH1 ARG 39 HH11 ARG 39 -9.592 -11.236 13.770 331 2HH1 ARG 39 HH12 ARG 39 -9.868 -10.854 15.437 332 1HH2 ARG 39 HH21 ARG 39 -8.732 -7.590 15.152 333 2HH2 ARG 39 HH22 ARG 39 -9.380 -8.790 16.220 334 H GLU 40 HN GLU 40 -9.633 -9.642 9.457 335 HA GLU 40 HA GLU 40 -7.469 -11.134 8.345 336 1HB GLU 40 HB2 GLU 40 -9.381 -11.874 9.847 337 2HB GLU 40 HB1 GLU 40 -10.412 -11.849 8.418 338 1HG GLU 40 HG2 GLU 40 -9.608 -14.113 8.705 339 2HG GLU 40 HG1 GLU 40 -8.780 -13.420 7.310 340 H ALA 41 HN ALA 41 -10.682 -10.425 6.913 341 HA ALA 41 HA ALA 41 -10.260 -11.403 4.326 342 1HB ALA 41 HB1 ALA 41 -12.395 -10.632 4.485 343 2HB ALA 41 HB2 ALA 41 -11.729 -9.080 3.976 344 3HB ALA 41 HB3 ALA 41 -11.948 -9.425 5.690 345 H ALA 42 HN ALA 42 -9.380 -8.210 5.633 346 HA ALA 42 HA ALA 42 -8.387 -6.992 3.287 347 1HB ALA 42 HB1 ALA 42 -8.706 -5.905 5.490 348 2HB ALA 42 HB2 ALA 42 -7.068 -5.640 4.891 349 3HB ALA 42 HB3 ALA 42 -7.366 -6.847 6.143 350 H VAL 43 HN VAL 43 -6.314 -8.516 5.776 351 HA VAL 43 HA VAL 43 -3.965 -8.701 4.258 352 HB VAL 43 HB VAL 43 -5.183 -10.551 6.330 353 1HG1 VAL 43 HG11 VAL 43 -2.416 -10.831 6.428 354 2HG1 VAL 43 HG12 VAL 43 -2.778 -10.852 4.702 355 3HG1 VAL 43 HG13 VAL 43 -3.553 -12.014 5.780 356 1HG2 VAL 43 HG21 VAL 43 -2.810 -8.894 6.923 357 2HG2 VAL 43 HG22 VAL 43 -4.264 -9.159 7.885 358 3HG2 VAL 43 HG23 VAL 43 -4.277 -7.978 6.576 359 H GLU 44 HN GLU 44 -6.891 -10.646 4.125 360 HA GLU 44 HA GLU 44 -5.865 -12.808 2.514 361 1HB GLU 44 HB2 GLU 44 -8.245 -12.044 3.791 362 2HB GLU 44 HB1 GLU 44 -8.660 -12.114 2.077 363 1HG GLU 44 HG2 GLU 44 -9.019 -14.323 2.873 364 2HG GLU 44 HG1 GLU 44 -7.458 -14.390 2.053 365 H GLN 45 HN GLN 45 -7.935 -10.037 1.608 366 HA GLN 45 HA GLN 45 -7.777 -10.283 -1.193 367 1HB GLN 45 HB2 GLN 45 -8.930 -8.587 0.577 368 2HB GLN 45 HB1 GLN 45 -7.606 -7.563 0.020 369 1HG GLN 45 HG2 GLN 45 -9.121 -7.040 -1.622 370 2HG GLN 45 HG1 GLN 45 -8.452 -8.495 -2.361 371 1HE2 GLN 45 HE21 GLN 45 -11.370 -7.057 -1.519 372 2HE2 GLN 45 HE22 GLN 45 -12.335 -8.450 -1.433 373 H LEU 46 HN LEU 46 -5.524 -8.852 1.119 374 HA LEU 46 HA LEU 46 -3.682 -7.808 -0.875 375 1HB LEU 46 HB2 LEU 46 -4.080 -7.853 1.980 376 2HB LEU 46 HB1 LEU 46 -2.413 -8.304 1.621 377 HG LEU 46 HG LEU 46 -2.094 -6.291 0.304 378 1HD1 LEU 46 HD11 LEU 46 -4.745 -5.159 1.029 379 2HD1 LEU 46 HD12 LEU 46 -4.741 -6.388 -0.234 380 3HD1 LEU 46 HD13 LEU 46 -3.781 -4.921 -0.428 381 1HD2 LEU 46 HD21 LEU 46 -3.443 -5.789 2.972 382 2HD2 LEU 46 HD22 LEU 46 -2.529 -4.566 2.091 383 3HD2 LEU 46 HD23 LEU 46 -1.719 -6.015 2.683 384 H LYS 47 HN LYS 47 -4.109 -10.831 0.872 385 HA LYS 47 HA LYS 47 -1.584 -12.059 0.441 386 1HB LYS 47 HB2 LYS 47 -4.159 -12.692 1.413 387 2HB LYS 47 HB1 LYS 47 -3.827 -13.876 0.149 388 1HG LYS 47 HG2 LYS 47 -2.029 -14.784 1.275 389 2HG LYS 47 HG1 LYS 47 -1.649 -13.273 2.103 390 1HD LYS 47 HD2 LYS 47 -4.132 -13.807 3.110 391 2HD LYS 47 HD1 LYS 47 -3.498 -15.439 2.892 392 1HE LYS 47 HE2 LYS 47 -1.998 -13.223 4.332 393 2HE LYS 47 HE1 LYS 47 -2.942 -14.488 5.146 394 1HZ LYS 47 HZ1 LYS 47 -0.844 -15.432 5.011 395 2HZ LYS 47 HZ2 LYS 47 -0.522 -14.771 3.479 396 3HZ LYS 47 HZ3 LYS 47 -1.610 -16.067 3.637 397 H SER 48 HN SER 48 -4.552 -12.749 -1.419 398 HA SER 48 HA SER 48 -3.380 -14.005 -3.649 399 1HB SER 48 HB2 SER 48 -5.468 -13.268 -4.790 400 2HB SER 48 HB1 SER 48 -5.798 -13.855 -3.163 401 HG SER 48 HG SER 48 -6.823 -11.948 -3.220 402 H ILE 49 HN ILE 49 -3.549 -10.587 -2.808 403 HA ILE 49 HA ILE 49 -2.903 -9.457 -5.342 404 HB ILE 49 HB ILE 49 -3.049 -8.718 -2.534 405 1HG1 ILE 49 HG12 ILE 49 -4.544 -7.881 -4.278 406 2HG1 ILE 49 HG11 ILE 49 -3.682 -6.533 -3.536 407 1HG2 ILE 49 HG21 ILE 49 -1.471 -6.709 -2.811 408 2HG2 ILE 49 HG22 ILE 49 -0.732 -7.615 -4.132 409 3HG2 ILE 49 HG23 ILE 49 -0.714 -8.270 -2.494 410 1HD1 ILE 49 HD11 ILE 49 -3.720 -7.298 -6.290 411 2HD1 ILE 49 HD12 ILE 49 -2.078 -7.519 -5.684 412 3HD1 ILE 49 HD13 ILE 49 -2.865 -5.947 -5.546 413 H ARG 50 HN ARG 50 -0.710 -10.259 -2.632 414 HA ARG 50 HA ARG 50 1.762 -9.848 -3.888 415 1HB ARG 50 HB2 ARG 50 0.662 -11.756 -1.842 416 2HB ARG 50 HB1 ARG 50 2.321 -11.982 -2.398 417 1HG ARG 50 HG2 ARG 50 2.324 -9.302 -1.961 418 2HG ARG 50 HG1 ARG 50 1.165 -9.820 -0.736 419 1HD ARG 50 HD2 ARG 50 3.763 -11.314 -1.042 420 2HD ARG 50 HD1 ARG 50 3.707 -9.807 -0.108 421 HE ARG 50 HE ARG 50 2.424 -10.935 1.529 422 1HH1 ARG 50 HH21 ARG 50 3.566 -13.274 -0.460 423 2HH1 ARG 50 HH22 ARG 50 2.233 -14.367 -0.293 424 1HH2 ARG 50 HH11 ARG 50 0.204 -12.065 1.323 425 2HH2 ARG 50 HH12 ARG 50 0.329 -13.682 0.716 426 H GLU 51 HN GLU 51 -0.353 -12.701 -3.986 427 HA GLU 51 HA GLU 51 1.258 -14.319 -5.737 428 1HB GLU 51 HB2 GLU 51 -0.398 -15.471 -4.582 429 2HB GLU 51 HB1 GLU 51 -1.543 -14.149 -4.692 430 1HG GLU 51 HG2 GLU 51 -2.085 -16.247 -6.052 431 2HG GLU 51 HG1 GLU 51 -2.141 -14.712 -6.917 432 H ASP 52 HN ASP 52 -1.794 -12.624 -6.448 433 HA ASP 52 HA ASP 52 -1.729 -12.752 -9.245 434 1HB ASP 52 HB2 ASP 52 -2.825 -10.945 -7.156 435 2HB ASP 52 HB1 ASP 52 -2.741 -10.251 -8.774 436 H ILE 53 HN ILE 53 -0.329 -10.162 -7.194 437 HA ILE 53 HA ILE 53 0.998 -8.750 -9.300 438 HB ILE 53 HB ILE 53 1.528 -9.092 -6.330 439 1HG1 ILE 53 HG12 ILE 53 0.090 -7.034 -8.024 440 2HG1 ILE 53 HG11 ILE 53 -0.575 -8.013 -6.716 441 1HG2 ILE 53 HG21 ILE 53 2.682 -7.024 -8.227 442 2HG2 ILE 53 HG22 ILE 53 3.581 -8.389 -7.564 443 3HG2 ILE 53 HG23 ILE 53 2.974 -7.128 -6.491 444 1HD1 ILE 53 HD11 ILE 53 -0.107 -5.653 -6.026 445 2HD1 ILE 53 HD12 ILE 53 1.602 -5.933 -6.356 446 3HD1 ILE 53 HD13 ILE 53 0.791 -6.839 -5.078 447 H VAL 54 HN VAL 54 1.682 -11.700 -7.609 448 HA VAL 54 HA VAL 54 4.511 -11.855 -8.324 449 HB VAL 54 HB VAL 54 2.435 -13.456 -6.901 450 1HG1 VAL 54 HG11 VAL 54 4.367 -15.297 -6.838 451 2HG1 VAL 54 HG12 VAL 54 4.668 -14.664 -8.457 452 3HG1 VAL 54 HG13 VAL 54 3.088 -15.335 -8.051 453 1HG2 VAL 54 HG21 VAL 54 5.278 -13.427 -6.086 454 2HG2 VAL 54 HG22 VAL 54 3.824 -13.183 -5.120 455 3HG2 VAL 54 HG23 VAL 54 4.463 -11.863 -6.099 456 H SER 55 HN SER 55 1.657 -13.827 -9.225 457 HA SER 55 HA SER 55 3.059 -14.656 -11.718 458 1HB SER 55 HB2 SER 55 0.388 -15.718 -11.233 459 2HB SER 55 HB1 SER 55 1.915 -16.580 -11.389 460 HG SER 55 HG SER 55 1.299 -16.891 -9.313 461 H GLY 56 HN GLY 56 2.291 -14.074 -13.755 462 1HA GLY 56 HA2 GLY 56 0.713 -13.225 -15.334 463 2HA GLY 56 HA1 GLY 56 -0.303 -12.692 -13.991 464 H LYS 57 HN LYS 57 1.879 -11.649 -16.327 465 HA LYS 57 HA LYS 57 3.171 -9.466 -14.963 466 1HB LYS 57 HB2 LYS 57 3.814 -10.521 -17.154 467 2HB LYS 57 HB1 LYS 57 2.397 -9.766 -17.884 468 1HG LYS 57 HG2 LYS 57 3.610 -7.653 -16.567 469 2HG LYS 57 HG1 LYS 57 4.982 -8.577 -17.179 470 1HD LYS 57 HD2 LYS 57 3.826 -8.617 -19.434 471 2HD LYS 57 HD1 LYS 57 2.658 -7.470 -18.775 472 1HE LYS 57 HE2 LYS 57 4.204 -5.739 -18.682 473 2HE LYS 57 HE1 LYS 57 5.579 -6.843 -18.483 474 1HZ LYS 57 HZ1 LYS 57 4.080 -6.176 -20.931 475 2HZ LYS 57 HZ2 LYS 57 4.849 -7.685 -20.800 476 3HZ LYS 57 HZ3 LYS 57 5.757 -6.254 -20.695 477 H ALA 58 HN ALA 58 0.642 -9.264 -13.980 478 HA ALA 58 HA ALA 58 -1.205 -7.663 -15.472 479 1HB ALA 58 HB1 ALA 58 -1.715 -7.150 -12.849 480 2HB ALA 58 HB2 ALA 58 -0.703 -8.588 -12.700 481 3HB ALA 58 HB3 ALA 58 -2.187 -8.647 -13.652 482 H ASN 59 HN ASN 59 -1.755 -5.480 -13.838 483 HA ASN 59 HA ASN 59 0.637 -3.753 -14.316 484 1HB ASN 59 HB2 ASN 59 -2.355 -3.352 -14.284 485 2HB ASN 59 HB1 ASN 59 -1.250 -1.981 -14.213 486 1HD2 ASN 59 HD21 ASN 59 0.021 -1.492 -16.120 487 2HD2 ASN 59 HD22 ASN 59 -0.276 -2.241 -17.614 488 H PHE 60 HN PHE 60 -0.115 -1.596 -12.730 489 HA PHE 60 HA PHE 60 -0.739 -2.449 -10.004 490 1HB PHE 60 HB2 PHE 60 1.600 -3.243 -10.389 491 2HB PHE 60 HB1 PHE 60 2.075 -1.580 -10.734 492 HD1 PHE 60 HD1 PHE 60 1.487 0.200 -8.909 493 HD2 PHE 60 HD2 PHE 60 1.664 -4.030 -8.179 494 HE1 PHE 60 HE1 PHE 60 1.770 0.630 -6.485 495 HE2 PHE 60 HE2 PHE 60 1.944 -3.598 -5.752 496 HZ PHE 60 HZ PHE 60 1.999 -1.267 -4.906 497 H GLU 61 HN GLU 61 0.701 0.022 -12.108 498 HA GLU 61 HA GLU 61 0.381 2.280 -10.411 499 1HB GLU 61 HB2 GLU 61 0.349 1.861 -13.412 500 2HB GLU 61 HB1 GLU 61 0.327 3.468 -12.683 501 1HG GLU 61 HG2 GLU 61 2.424 2.952 -11.480 502 2HG GLU 61 HG1 GLU 61 2.452 1.352 -12.221 503 H GLU 62 HN GLU 62 -1.696 1.771 -13.282 504 HA GLU 62 HA GLU 62 -3.867 3.341 -12.515 505 1HB GLU 62 HB2 GLU 62 -3.523 0.801 -14.090 506 2HB GLU 62 HB1 GLU 62 -5.154 1.409 -13.808 507 1HG GLU 62 HG2 GLU 62 -4.591 3.544 -14.826 508 2HG GLU 62 HG1 GLU 62 -2.903 3.058 -14.993 509 H VAL 63 HN VAL 63 -3.293 -0.092 -11.675 510 HA VAL 63 HA VAL 63 -5.629 -0.590 -10.172 511 HB VAL 63 HB VAL 63 -2.750 -1.473 -9.762 512 1HG1 VAL 63 HG11 VAL 63 -4.639 -1.775 -7.886 513 2HG1 VAL 63 HG12 VAL 63 -3.459 -3.040 -8.226 514 3HG1 VAL 63 HG13 VAL 63 -5.079 -3.138 -8.916 515 1HG2 VAL 63 HG21 VAL 63 -4.250 -1.895 -11.951 516 2HG2 VAL 63 HG22 VAL 63 -4.868 -3.207 -10.947 517 3HG2 VAL 63 HG23 VAL 63 -3.147 -3.121 -11.324 518 H ALA 64 HN ALA 64 -2.514 0.765 -9.110 519 HA ALA 64 HA ALA 64 -3.228 1.232 -6.379 520 1HB ALA 64 HB1 ALA 64 -1.215 2.541 -6.380 521 2HB ALA 64 HB2 ALA 64 -1.356 2.874 -8.106 522 3HB ALA 64 HB3 ALA 64 -0.949 1.250 -7.551 523 H THR 65 HN THR 65 -3.018 3.604 -9.072 524 HA THR 65 HA THR 65 -4.110 5.846 -7.869 525 HB THR 65 HB THR 65 -5.281 5.838 -10.359 526 HG1 THR 65 HG1 THR 65 -2.940 4.399 -10.778 527 1HG2 THR 65 HG21 THR 65 -3.809 7.561 -10.188 528 2HG2 THR 65 HG22 THR 65 -2.678 6.445 -10.953 529 3HG2 THR 65 HG23 THR 65 -2.689 6.624 -9.199 530 H ARG 66 HN ARG 66 -5.747 2.870 -8.709 531 HA ARG 66 HA ARG 66 -8.437 4.009 -8.267 532 1HB ARG 66 HB2 ARG 66 -7.581 2.187 -9.968 533 2HB ARG 66 HB1 ARG 66 -7.759 1.097 -8.593 534 1HG ARG 66 HG2 ARG 66 -9.960 2.930 -9.583 535 2HG ARG 66 HG1 ARG 66 -9.807 1.236 -10.053 536 1HD ARG 66 HD2 ARG 66 -11.087 0.814 -8.208 537 2HD ARG 66 HD1 ARG 66 -9.601 1.121 -7.287 538 HE ARG 66 HE ARG 66 -10.327 3.573 -7.302 539 1HH1 ARG 66 HH11 ARG 66 -12.722 1.666 -8.676 540 2HH1 ARG 66 HH12 ARG 66 -14.006 2.240 -7.666 541 1HH2 ARG 66 HH21 ARG 66 -11.910 4.034 -5.566 542 2HH2 ARG 66 HH22 ARG 66 -13.547 3.582 -5.906 543 H VAL 67 HN VAL 67 -6.677 1.202 -6.942 544 HA VAL 67 HA VAL 67 -8.234 1.411 -4.420 545 HB VAL 67 HB VAL 67 -8.048 -0.745 -5.567 546 1HG1 VAL 67 HG11 VAL 67 -5.329 -1.421 -5.187 547 2HG1 VAL 67 HG12 VAL 67 -5.339 0.169 -5.948 548 3HG1 VAL 67 HG13 VAL 67 -6.165 -1.184 -6.722 549 1HG2 VAL 67 HG21 VAL 67 -6.130 -1.017 -3.271 550 2HG2 VAL 67 HG22 VAL 67 -7.500 -2.040 -3.704 551 3HG2 VAL 67 HG23 VAL 67 -7.776 -0.466 -2.959 552 H SER 68 HN SER 68 -6.606 3.582 -4.389 553 HA SER 68 HA SER 68 -4.387 2.747 -2.556 554 1HB SER 68 HB2 SER 68 -4.353 4.617 -4.926 555 2HB SER 68 HB1 SER 68 -3.115 4.676 -3.678 556 HG SER 68 HG SER 68 -3.228 2.194 -4.193 557 H ASP 69 HN ASP 69 -3.806 4.423 -0.988 558 HA ASP 69 HA ASP 69 -5.853 5.722 0.345 559 1HB ASP 69 HB2 ASP 69 -3.352 5.461 0.894 560 2HB ASP 69 HB1 ASP 69 -3.120 6.947 -0.028 561 H CYS 70 HN CYS 70 -7.168 7.379 -0.106 562 HA CYS 70 HA CYS 70 -7.881 8.584 -2.335 563 1HB CYS 70 HB2 CYS 70 -8.822 9.275 -0.275 564 2HB CYS 70 HB1 CYS 70 -7.267 9.828 0.341 565 HG CYS 70 HG CYS 70 -7.761 12.048 -0.626 566 H SER 71 HN SER 71 -5.514 10.566 -0.557 567 HA SER 71 HA SER 71 -4.570 12.060 -2.746 568 1HB SER 71 HB2 SER 71 -4.106 12.367 -0.291 569 2HB SER 71 HB1 SER 71 -3.001 11.004 -0.372 570 HG SER 71 HG SER 71 -2.298 13.390 -0.745 571 H SER 72 HN SER 72 -3.220 9.060 -1.383 572 HA SER 72 HA SER 72 -1.142 8.644 -3.257 573 1HB SER 72 HB2 SER 72 -2.955 6.654 -1.844 574 2HB SER 72 HB1 SER 72 -1.423 6.244 -2.607 575 HG SER 72 HG SER 72 -0.544 7.964 -1.184 576 H ALA 73 HN ALA 73 -4.635 8.007 -3.535 577 HA ALA 73 HA ALA 73 -4.678 6.408 -5.861 578 1HB ALA 73 HB1 ALA 73 -6.541 8.703 -5.853 579 2HB ALA 73 HB2 ALA 73 -6.496 7.812 -4.332 580 3HB ALA 73 HB3 ALA 73 -6.897 6.977 -5.833 581 H LYS 74 HN LYS 74 -4.151 9.870 -5.424 582 HA LYS 74 HA LYS 74 -3.891 10.532 -8.244 583 1HB LYS 74 HB2 LYS 74 -4.402 12.075 -6.286 584 2HB LYS 74 HB1 LYS 74 -2.722 11.889 -5.782 585 1HG LYS 74 HG2 LYS 74 -1.930 12.841 -7.872 586 2HG LYS 74 HG1 LYS 74 -3.571 12.889 -8.517 587 1HD LYS 74 HD2 LYS 74 -4.240 14.564 -6.951 588 2HD LYS 74 HD1 LYS 74 -2.776 14.348 -5.992 589 1HE LYS 74 HE2 LYS 74 -1.836 14.932 -8.571 590 2HE LYS 74 HE1 LYS 74 -3.189 16.052 -8.311 591 1HZ LYS 74 HZ1 LYS 74 -0.816 16.569 -7.343 592 2HZ LYS 74 HZ2 LYS 74 -1.347 15.554 -6.087 593 3HZ LYS 74 HZ3 LYS 74 -2.219 16.960 -6.474 594 H ARG 75 HN ARG 75 -1.791 9.427 -5.665 595 HA ARG 75 HA ARG 75 0.548 9.280 -7.540 596 1HB ARG 75 HB2 ARG 75 0.193 9.711 -4.570 597 2HB ARG 75 HB1 ARG 75 1.732 9.134 -5.209 598 1HG ARG 75 HG2 ARG 75 2.215 11.122 -6.213 599 2HG ARG 75 HG1 ARG 75 0.530 11.471 -6.590 600 1HD ARG 75 HD2 ARG 75 0.204 12.596 -4.623 601 2HD ARG 75 HD1 ARG 75 1.188 11.445 -3.697 602 HE ARG 75 HE ARG 75 2.627 13.207 -5.595 603 1HH1 ARG 75 HH21 ARG 75 1.250 13.252 -2.500 604 2HH1 ARG 75 HH22 ARG 75 2.678 13.814 -1.697 605 1HH2 ARG 75 HH11 ARG 75 4.680 13.577 -4.518 606 2HH2 ARG 75 HH12 ARG 75 4.619 13.999 -2.839 607 H GLY 76 HN GLY 76 -1.354 7.261 -7.734 608 1HA GLY 76 HA2 GLY 76 -1.020 5.080 -5.914 609 2HA GLY 76 HA1 GLY 76 -1.681 4.949 -7.544 610 H GLY 77 HN GLY 77 1.098 6.383 -8.178 611 1HA GLY 77 HA2 GLY 77 2.359 3.953 -9.089 612 2HA GLY 77 HA1 GLY 77 3.076 5.564 -9.149 613 H ASP 78 HN ASP 78 4.618 6.079 -7.657 614 HA ASP 78 HA ASP 78 4.897 4.284 -5.297 615 1HB ASP 78 HB2 ASP 78 7.302 5.189 -6.852 616 2HB ASP 78 HB1 ASP 78 7.114 3.758 -5.843 617 H LEU 79 HN LEU 79 6.508 5.197 -3.693 618 HA LEU 79 HA LEU 79 5.924 8.007 -3.143 619 1HB LEU 79 HB2 LEU 79 7.604 5.812 -1.901 620 2HB LEU 79 HB1 LEU 79 7.583 7.443 -1.236 621 HG LEU 79 HG LEU 79 5.157 7.307 -0.920 622 1HD1 LEU 79 HD11 LEU 79 5.505 4.556 -2.143 623 2HD1 LEU 79 HD12 LEU 79 4.527 5.883 -2.771 624 3HD1 LEU 79 HD13 LEU 79 4.052 5.065 -1.283 625 1HD2 LEU 79 HD21 LEU 79 6.913 6.271 0.724 626 2HD2 LEU 79 HD22 LEU 79 6.252 4.728 0.185 627 3HD2 LEU 79 HD23 LEU 79 5.204 5.909 0.968 628 H GLY 80 HN GLY 80 9.044 6.351 -3.157 629 1HA GLY 80 HA2 GLY 80 10.540 7.297 -5.149 630 2HA GLY 80 HA1 GLY 80 10.382 8.769 -4.187 631 H SER 81 HN SER 81 11.379 8.882 -2.161 632 HA SER 81 HA SER 81 12.893 6.531 -1.188 633 1HB SER 81 HB2 SER 81 14.965 7.385 -1.640 634 2HB SER 81 HB1 SER 81 14.075 8.126 -2.966 635 HG SER 81 HG SER 81 14.647 9.955 -2.117 636 H PHE 82 HN PHE 82 13.206 6.625 1.024 637 HA PHE 82 HA PHE 82 13.164 9.108 2.546 638 1HB PHE 82 HB2 PHE 82 11.007 8.471 3.730 639 2HB PHE 82 HB1 PHE 82 10.795 8.958 2.047 640 HD1 PHE 82 HD1 PHE 82 10.579 7.187 0.262 641 HD2 PHE 82 HD2 PHE 82 10.471 6.268 4.456 642 HE1 PHE 82 HE1 PHE 82 9.579 4.983 -0.250 643 HE2 PHE 82 HE2 PHE 82 9.464 4.061 3.942 644 HZ PHE 82 HZ PHE 82 9.025 3.421 1.584 645 H GLY 83 HN GLY 83 12.576 8.153 5.049 646 1HA GLY 83 HA2 GLY 83 13.324 5.517 5.693 647 2HA GLY 83 HA1 GLY 83 14.819 6.448 5.622 648 H ARG 84 HN ARG 84 15.196 8.055 7.196 649 HA ARG 84 HA ARG 84 13.962 7.624 9.770 650 1HB ARG 84 HB2 ARG 84 15.988 9.428 8.510 651 2HB ARG 84 HB1 ARG 84 15.344 9.895 10.084 652 1HG ARG 84 HG2 ARG 84 17.417 8.462 10.205 653 2HG ARG 84 HG1 ARG 84 16.029 7.798 11.065 654 1HD ARG 84 HD2 ARG 84 15.507 6.409 9.019 655 2HD ARG 84 HD1 ARG 84 17.046 6.961 8.327 656 HE ARG 84 HE ARG 84 17.865 6.108 10.768 657 1HH1 ARG 84 HH11 ARG 84 16.983 4.649 7.906 658 2HH1 ARG 84 HH12 ARG 84 16.799 3.055 8.556 659 1HH2 ARG 84 HH21 ARG 84 17.099 4.081 11.855 660 2HH2 ARG 84 HH22 ARG 84 16.863 2.733 10.793 661 H GLY 85 HN GLY 85 12.863 9.306 7.066 662 1HA GLY 85 HA2 GLY 85 11.098 11.001 8.787 663 2HA GLY 85 HA1 GLY 85 11.779 11.622 7.282 664 H GLN 86 HN GLN 86 9.271 11.865 7.014 665 HA GLN 86 HA GLN 86 7.317 11.163 5.859 666 1HB GLN 86 HB2 GLN 86 9.571 9.522 4.712 667 2HB GLN 86 HB1 GLN 86 7.930 9.351 4.106 668 1HG GLN 86 HG2 GLN 86 9.477 11.949 4.213 669 2HG GLN 86 HG1 GLN 86 9.247 10.950 2.780 670 1HE2 GLN 86 HE21 GLN 86 7.382 11.342 1.561 671 2HE2 GLN 86 HE22 GLN 86 6.060 12.263 2.095 672 H MET 87 HN MET 87 6.089 9.057 5.246 673 HA MET 87 HA MET 87 4.873 7.233 6.198 674 1HB MET 87 HB2 MET 87 7.609 6.806 5.423 675 2HB MET 87 HB1 MET 87 7.183 5.673 6.717 676 1HG MET 87 HG2 MET 87 5.910 4.473 5.318 677 2HG MET 87 HG1 MET 87 4.997 5.899 4.843 678 1HE MET 87 HE1 MET 87 8.139 7.473 3.268 679 2HE MET 87 HE2 MET 87 6.566 7.764 4.004 680 3HE MET 87 HE3 MET 87 6.697 7.612 2.255 681 H GLN 88 HN GLN 88 5.725 5.333 8.073 682 HA GLN 88 HA GLN 88 6.279 6.876 10.572 683 1HB GLN 88 HB2 GLN 88 3.904 5.196 9.800 684 2HB GLN 88 HB1 GLN 88 4.374 5.304 11.496 685 1HG GLN 88 HG2 GLN 88 4.449 7.898 10.986 686 2HG GLN 88 HG1 GLN 88 3.358 7.453 9.673 687 1HE2 GLN 88 HE21 GLN 88 3.661 7.665 13.184 688 2HE2 GLN 88 HE22 GLN 88 2.033 7.334 13.527 689 H LYS 89 HN LYS 89 5.900 4.649 12.309 690 HA LYS 89 HA LYS 89 8.396 3.235 11.929 691 1HB LYS 89 HB2 LYS 89 7.513 3.851 14.117 692 2HB LYS 89 HB1 LYS 89 6.076 2.865 13.842 693 1HG LYS 89 HG2 LYS 89 7.325 0.838 13.893 694 2HG LYS 89 HG1 LYS 89 8.860 1.694 13.752 695 1HD LYS 89 HD2 LYS 89 9.004 1.859 15.991 696 2HD LYS 89 HD1 LYS 89 7.452 2.694 16.046 697 1HE LYS 89 HE2 LYS 89 6.814 0.834 17.242 698 2HE LYS 89 HE1 LYS 89 6.620 0.122 15.629 699 1HZ LYS 89 HZ1 LYS 89 8.190 -1.321 16.256 700 2HZ LYS 89 HZ2 LYS 89 8.624 -0.403 17.618 701 3HZ LYS 89 HZ3 LYS 89 9.298 -0.046 16.100 702 HA PRO 90 HA PRO 90 5.473 -0.474 11.062 703 1HB PRO 90 HB2 PRO 90 3.106 0.087 9.804 704 2HB PRO 90 HB1 PRO 90 3.270 -0.038 11.567 705 1HG PRO 90 HG2 PRO 90 3.094 2.371 9.847 706 2HG PRO 90 HG1 PRO 90 2.461 2.094 11.476 707 1HD PRO 90 HD2 PRO 90 4.726 3.529 10.909 708 2HD PRO 90 HD1 PRO 90 4.401 2.755 12.473 709 H PHE 91 HN PHE 91 4.322 1.811 8.525 710 HA PHE 91 HA PHE 91 4.869 0.249 6.301 711 1HB PHE 91 HB2 PHE 91 3.796 2.460 6.228 712 2HB PHE 91 HB1 PHE 91 5.327 3.230 6.636 713 HD1 PHE 91 HD1 PHE 91 7.379 2.466 5.025 714 HD2 PHE 91 HD2 PHE 91 3.220 2.368 3.968 715 HE1 PHE 91 HE1 PHE 91 7.996 2.419 2.661 716 HE2 PHE 91 HE2 PHE 91 3.852 2.345 1.562 717 HZ PHE 91 HZ PHE 91 6.241 2.375 0.909 718 H GLU 92 HN GLU 92 7.182 2.692 7.521 719 HA GLU 92 HA GLU 92 9.371 2.158 5.944 720 1HB GLU 92 HB2 GLU 92 8.846 3.506 8.300 721 2HB GLU 92 HB1 GLU 92 10.055 2.324 8.802 722 1HG GLU 92 HG2 GLU 92 11.249 3.107 6.559 723 2HG GLU 92 HG1 GLU 92 10.298 4.567 6.837 724 H GLU 93 HN GLU 93 8.882 0.506 9.079 725 HA GLU 93 HA GLU 93 10.899 -1.428 8.859 726 1HB GLU 93 HB2 GLU 93 9.598 -1.110 10.871 727 2HB GLU 93 HB1 GLU 93 8.103 -1.526 10.033 728 1HG GLU 93 HG2 GLU 93 8.904 -3.426 11.383 729 2HG GLU 93 HG1 GLU 93 8.944 -3.816 9.664 730 H ALA 94 HN ALA 94 7.911 -1.162 7.098 731 HA ALA 94 HA ALA 94 7.694 -3.916 6.228 732 1HB ALA 94 HB1 ALA 94 6.712 -1.533 4.677 733 2HB ALA 94 HB2 ALA 94 6.017 -1.876 6.261 734 3HB ALA 94 HB3 ALA 94 5.899 -3.071 4.969 735 H THR 95 HN THR 95 8.673 -0.969 4.463 736 HA THR 95 HA THR 95 9.805 -2.420 2.238 737 HB THR 95 HB THR 95 10.454 0.388 3.173 738 HG1 THR 95 HG1 THR 95 8.321 0.481 3.148 739 1HG2 THR 95 HG21 THR 95 10.766 0.838 0.830 740 2HG2 THR 95 HG22 THR 95 10.109 -0.738 0.386 741 3HG2 THR 95 HG23 THR 95 11.669 -0.630 1.203 742 H TYR 96 HN TYR 96 10.984 -1.393 5.355 743 HA TYR 96 HA TYR 96 13.829 -1.717 4.718 744 1HB TYR 96 HB2 TYR 96 12.069 -0.995 7.003 745 2HB TYR 96 HB1 TYR 96 13.616 -1.721 7.433 746 HD1 TYR 96 HD1 TYR 96 11.947 1.281 6.462 747 HD2 TYR 96 HD2 TYR 96 15.739 -0.729 6.295 748 HE1 TYR 96 HE1 TYR 96 13.079 3.448 6.054 749 HE2 TYR 96 HE2 TYR 96 16.871 1.446 5.886 750 HH TYR 96 HH TYR 96 15.009 4.478 5.704 751 H ALA 97 HN ALA 97 11.184 -3.697 5.835 752 HA ALA 97 HA ALA 97 12.890 -5.820 6.941 753 1HB ALA 97 HB1 ALA 97 9.939 -5.400 6.439 754 2HB ALA 97 HB2 ALA 97 10.786 -5.421 7.986 755 3HB ALA 97 HB3 ALA 97 10.567 -6.918 7.080 756 H LEU 98 HN LEU 98 11.115 -5.212 3.916 757 HA LEU 98 HA LEU 98 11.690 -7.958 2.964 758 1HB LEU 98 HB2 LEU 98 9.566 -6.385 2.671 759 2HB LEU 98 HB1 LEU 98 10.480 -5.806 1.277 760 HG LEU 98 HG LEU 98 10.632 -8.674 1.373 761 1HD1 LEU 98 HD11 LEU 98 7.865 -8.258 0.738 762 2HD1 LEU 98 HD12 LEU 98 8.169 -7.669 2.372 763 3HD1 LEU 98 HD13 LEU 98 8.564 -9.332 1.948 764 1HD2 LEU 98 HD21 LEU 98 9.234 -8.198 -0.836 765 2HD2 LEU 98 HD22 LEU 98 10.932 -7.734 -0.727 766 3HD2 LEU 98 HD23 LEU 98 9.671 -6.526 -0.481 767 H LYS 99 HN LYS 99 12.562 -8.127 0.662 768 HA LYS 99 HA LYS 99 14.487 -5.992 -0.093 769 1HB LYS 99 HB2 LYS 99 15.068 -8.554 1.228 770 2HB LYS 99 HB1 LYS 99 16.006 -8.303 -0.245 771 1HG LYS 99 HG2 LYS 99 15.931 -5.848 1.250 772 2HG LYS 99 HG1 LYS 99 16.460 -7.155 2.311 773 1HD LYS 99 HD2 LYS 99 17.974 -7.815 0.260 774 2HD LYS 99 HD1 LYS 99 17.729 -6.132 -0.210 775 1HE LYS 99 HE2 LYS 99 18.463 -6.622 2.641 776 2HE LYS 99 HE1 LYS 99 19.738 -6.851 1.426 777 1HZ LYS 99 HZ1 LYS 99 19.230 -4.699 0.498 778 2HZ LYS 99 HZ2 LYS 99 19.568 -4.524 2.154 779 3HZ LYS 99 HZ3 LYS 99 17.962 -4.475 1.601 780 H VAL 100 HN VAL 100 12.400 -6.376 -1.683 781 HA VAL 100 HA VAL 100 11.737 -7.019 -3.859 782 HB VAL 100 HB VAL 100 14.712 -7.626 -3.952 783 1HG1 VAL 100 HG11 VAL 100 12.666 -7.222 -6.155 784 2HG1 VAL 100 HG12 VAL 100 13.562 -8.703 -5.813 785 3HG1 VAL 100 HG13 VAL 100 14.410 -7.277 -6.413 786 1HG2 VAL 100 HG21 VAL 100 14.895 -5.375 -4.904 787 2HG2 VAL 100 HG22 VAL 100 14.114 -5.290 -3.325 788 3HG2 VAL 100 HG23 VAL 100 13.147 -5.166 -4.795 789 H GLY 101 HN GLY 101 10.431 -8.837 -3.370 790 1HA GLY 101 HA2 GLY 101 10.598 -11.253 -4.410 791 2HA GLY 101 HA1 GLY 101 11.788 -11.470 -3.128 792 H ASP 102 HN ASP 102 8.688 -9.736 -3.091 793 HA ASP 102 HA ASP 102 7.103 -11.642 -1.737 794 1HB ASP 102 HB2 ASP 102 9.230 -10.385 -0.155 795 2HB ASP 102 HB1 ASP 102 7.636 -10.208 0.576 796 H ILE 103 HN ILE 103 7.980 -8.290 -2.235 797 HA ILE 103 HA ILE 103 6.610 -6.418 -2.644 798 HB ILE 103 HB ILE 103 4.288 -8.317 -2.225 799 1HG1 ILE 103 HG12 ILE 103 6.015 -7.882 -4.685 800 2HG1 ILE 103 HG11 ILE 103 5.853 -9.385 -3.777 801 1HG2 ILE 103 HG21 ILE 103 3.465 -6.132 -2.491 802 2HG2 ILE 103 HG22 ILE 103 3.429 -6.772 -4.134 803 3HG2 ILE 103 HG23 ILE 103 4.733 -5.695 -3.636 804 1HD1 ILE 103 HD11 ILE 103 3.360 -8.113 -4.831 805 2HD1 ILE 103 HD12 ILE 103 3.737 -9.821 -4.605 806 3HD1 ILE 103 HD13 ILE 103 4.414 -8.942 -5.976 807 H SER 104 HN SER 104 7.629 -6.646 -0.120 808 HA SER 104 HA SER 104 7.281 -6.079 2.154 809 1HB SER 104 HB2 SER 104 6.804 -3.891 1.940 810 2HB SER 104 HB1 SER 104 6.305 -4.211 0.283 811 HG SER 104 HG SER 104 4.812 -3.543 2.403 812 H ASP 105 HN ASP 105 5.330 -8.231 0.955 813 HA ASP 105 HA ASP 105 3.295 -9.287 1.612 814 1HB ASP 105 HB2 ASP 105 4.639 -8.438 4.195 815 2HB ASP 105 HB1 ASP 105 3.416 -9.703 4.069 816 H ILE 106 HN ILE 106 1.665 -8.842 3.859 817 HA ILE 106 HA ILE 106 0.002 -6.676 2.964 818 HB ILE 106 HB ILE 106 -0.966 -7.074 5.397 819 1HG1 ILE 106 HG12 ILE 106 1.351 -8.506 5.688 820 2HG1 ILE 106 HG11 ILE 106 -0.107 -8.781 6.636 821 1HG2 ILE 106 HG21 ILE 106 -2.086 -7.755 3.360 822 2HG2 ILE 106 HG22 ILE 106 -2.145 -9.086 4.516 823 3HG2 ILE 106 HG23 ILE 106 -0.999 -9.132 3.176 824 1HD1 ILE 106 HD11 ILE 106 1.072 -10.788 5.356 825 2HD1 ILE 106 HD12 ILE 106 0.152 -10.165 3.987 826 3HD1 ILE 106 HD13 ILE 106 -0.687 -10.692 5.446 827 H VAL 107 HN VAL 107 -0.461 -4.654 4.087 828 HA VAL 107 HA VAL 107 1.646 -3.738 6.002 829 HB VAL 107 HB VAL 107 0.698 -2.179 3.582 830 1HG1 VAL 107 HG11 VAL 107 1.773 -1.080 5.673 831 2HG1 VAL 107 HG12 VAL 107 2.437 -0.676 4.090 832 3HG1 VAL 107 HG13 VAL 107 3.265 -1.842 5.122 833 1HG2 VAL 107 HG21 VAL 107 3.264 -3.770 3.880 834 2HG2 VAL 107 HG22 VAL 107 2.740 -2.868 2.458 835 3HG2 VAL 107 HG23 VAL 107 1.866 -4.317 2.953 836 H ASP 108 HN ASP 108 -0.417 -4.139 7.374 837 HA ASP 108 HA ASP 108 -2.705 -2.397 7.071 838 1HB ASP 108 HB2 ASP 108 -3.092 -3.193 9.460 839 2HB ASP 108 HB1 ASP 108 -2.895 -4.471 8.259 840 H THR 109 HN THR 109 -2.295 -0.200 7.100 841 HA THR 109 HA THR 109 -1.034 0.908 9.576 842 HB THR 109 HB THR 109 0.112 2.555 7.994 843 HG1 THR 109 HG1 THR 109 -1.429 1.492 6.265 844 1HG2 THR 109 HG21 THR 109 1.746 0.687 7.135 845 2HG2 THR 109 HG22 THR 109 0.743 -0.377 8.121 846 3HG2 THR 109 HG23 THR 109 1.589 0.979 8.867 847 H ASP 110 HN ASP 110 -1.271 3.611 8.840 848 HA ASP 110 HA ASP 110 -3.889 4.335 9.434 849 1HB ASP 110 HB2 ASP 110 -3.279 6.492 8.464 850 2HB ASP 110 HB1 ASP 110 -1.849 5.797 9.228 851 H SER 111 HN SER 111 -5.659 5.104 7.988 852 HA SER 111 HA SER 111 -7.057 4.918 6.085 853 1HB SER 111 HB2 SER 111 -4.625 3.874 4.638 854 2HB SER 111 HB1 SER 111 -5.962 4.811 3.985 855 HG SER 111 HG SER 111 -5.197 6.605 4.981 856 H GLY 112 HN GLY 112 -4.691 2.218 6.004 857 1HA GLY 112 HA2 GLY 112 -6.369 0.174 6.890 858 2HA GLY 112 HA1 GLY 112 -6.694 0.302 5.162 859 H VAL 113 HN VAL 113 -5.720 -1.638 4.533 860 HA VAL 113 HA VAL 113 -2.879 -2.100 5.295 861 HB VAL 113 HB VAL 113 -3.390 -4.340 4.213 862 1HG1 VAL 113 HG11 VAL 113 -3.633 -4.551 6.484 863 2HG1 VAL 113 HG12 VAL 113 -5.327 -4.756 6.035 864 3HG1 VAL 113 HG13 VAL 113 -4.747 -3.187 6.596 865 1HG2 VAL 113 HG21 VAL 113 -5.568 -4.845 3.472 866 2HG2 VAL 113 HG22 VAL 113 -5.294 -3.224 2.832 867 3HG2 VAL 113 HG23 VAL 113 -6.267 -3.446 4.286 868 H HIS 114 HN HIS 114 -1.237 -1.872 3.823 869 HA HIS 114 HA HIS 114 -2.003 -1.256 0.987 870 1HB HIS 114 HB2 HIS 114 0.414 -0.251 2.505 871 2HB HIS 114 HB1 HIS 114 -0.241 0.374 0.997 872 HD1 HIS 114 HD1 HIS 114 -1.116 2.637 1.536 873 HD2 HIS 114 HD2 HIS 114 -2.156 -0.131 4.477 874 HE1 HIS 114 HE1 HIS 114 -2.608 3.860 3.175 875 H ILE 115 HN ILE 115 0.007 -1.556 -0.477 876 HA ILE 115 HA ILE 115 1.677 -3.902 0.349 877 HB ILE 115 HB ILE 115 1.232 -4.659 -2.104 878 1HG1 ILE 115 HG12 ILE 115 -1.313 -3.091 -1.737 879 2HG1 ILE 115 HG11 ILE 115 0.087 -2.347 -2.509 880 1HG2 ILE 115 HG21 ILE 115 -1.065 -5.599 -1.360 881 2HG2 ILE 115 HG22 ILE 115 -0.760 -4.752 0.157 882 3HG2 ILE 115 HG23 ILE 115 0.346 -6.014 -0.387 883 1HD1 ILE 115 HD11 ILE 115 -1.091 -3.270 -4.323 884 2HD1 ILE 115 HD12 ILE 115 -1.522 -4.723 -3.423 885 3HD1 ILE 115 HD13 ILE 115 0.135 -4.490 -3.980 886 H ILE 116 HN ILE 116 3.762 -3.122 0.164 887 HA ILE 116 HA ILE 116 4.296 -0.969 -1.815 888 HB ILE 116 HB ILE 116 5.726 -2.066 0.610 889 1HG1 ILE 116 HG12 ILE 116 5.079 0.760 0.557 890 2HG1 ILE 116 HG11 ILE 116 3.639 -0.215 0.269 891 1HG2 ILE 116 HG21 ILE 116 7.205 0.000 0.249 892 2HG2 ILE 116 HG22 ILE 116 6.577 0.028 -1.398 893 3HG2 ILE 116 HG23 ILE 116 7.491 -1.368 -0.827 894 1HD1 ILE 116 HD11 ILE 116 4.148 -1.562 2.273 895 2HD1 ILE 116 HD12 ILE 116 3.972 0.145 2.682 896 3HD1 ILE 116 HD13 ILE 116 5.579 -0.574 2.570 897 H LYS 117 HN LYS 117 6.331 -1.014 -3.002 898 HA LYS 117 HA LYS 117 7.472 -3.726 -3.536 899 1HB LYS 117 HB2 LYS 117 6.174 -1.761 -5.432 900 2HB LYS 117 HB1 LYS 117 7.343 -2.946 -6.015 901 1HG LYS 117 HG2 LYS 117 5.870 -4.675 -4.730 902 2HG LYS 117 HG1 LYS 117 4.635 -3.416 -4.788 903 1HD LYS 117 HD2 LYS 117 6.031 -4.733 -7.132 904 2HD LYS 117 HD1 LYS 117 4.313 -4.785 -6.738 905 1HE LYS 117 HE2 LYS 117 4.019 -2.465 -7.281 906 2HE LYS 117 HE1 LYS 117 5.772 -2.198 -7.363 907 1HZ LYS 117 HZ1 LYS 117 5.955 -3.321 -9.321 908 2HZ LYS 117 HZ2 LYS 117 4.377 -2.724 -9.518 909 3HZ LYS 117 HZ3 LYS 117 4.624 -4.326 -9.012 910 H ARG 118 HN ARG 118 9.529 -3.388 -4.990 911 HA ARG 118 HA ARG 118 10.785 -0.719 -4.538 912 1HB ARG 118 HB2 ARG 118 11.141 -2.652 -2.727 913 2HB ARG 118 HB1 ARG 118 12.358 -3.179 -3.891 914 1HG ARG 118 HG2 ARG 118 12.631 -0.366 -3.644 915 2HG ARG 118 HG1 ARG 118 12.505 -1.009 -2.007 916 1HD ARG 118 HD2 ARG 118 14.196 -2.835 -3.194 917 2HD ARG 118 HD1 ARG 118 14.687 -1.311 -3.960 918 HE ARG 118 HE ARG 118 14.262 -1.018 -1.097 919 1HH1 ARG 118 HH11 ARG 118 16.215 -3.229 -1.147 920 2HH1 ARG 118 HH12 ARG 118 17.734 -2.404 -1.263 921 1HH2 ARG 118 HH21 ARG 118 16.327 0.594 -2.289 922 2HH2 ARG 118 HH22 ARG 118 17.797 -0.239 -1.909 923 H THR 119 HN THR 119 11.702 -4.000 -5.686 924 HA THR 119 HA THR 119 12.455 -2.775 -8.307 925 HB THR 119 HB THR 119 14.146 -4.557 -6.523 926 HG1 THR 119 HG1 THR 119 14.702 -1.972 -7.516 927 1HG2 THR 119 HG21 THR 119 14.936 -5.278 -8.537 928 2HG2 THR 119 HG22 THR 119 15.788 -3.734 -8.526 929 3HG2 THR 119 HG23 THR 119 14.268 -3.895 -9.405 930 H ALA 120 HN ALA 120 13.418 -6.005 -7.449 931 HA ALA 120 HA ALA 120 12.692 -8.104 -8.247 932 1HB ALA 120 HB1 ALA 120 10.457 -6.554 -7.328 933 2HB ALA 120 HB2 ALA 120 10.646 -8.307 -7.318 934 3HB ALA 120 HB3 ALA 120 9.945 -7.505 -8.723
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